Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588725 | 2rux RC | 11477 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 15.352 23.745 -5.605
2 H2 GLY 1 2H GLY 1 14.322 24.588 -6.559
3 H3 GLY 1 3H GLY 1 15.556 23.744 -7.230
4 HA2 GLY 1 1HA GLY 1 13.264 22.565 -5.797
5 HA3 GLY 1 2HA GLY 1 13.475 22.577 -7.558
6 H SER 2 H SER 2 13.547 20.509 -5.149
7 HA SER 2 HA SER 2 15.812 18.856 -6.182
8 HB2 SER 2 1HB SER 2 15.195 19.371 -3.246
9 HB3 SER 2 2HB SER 2 16.412 18.247 -3.877
10 HG SER 2 HG SER 2 17.318 20.275 -3.274
11 H SER 3 H SER 3 15.621 16.600 -5.789
12 HA SER 3 HA SER 3 13.132 15.506 -4.662
13 HB2 SER 3 1HB SER 3 12.679 15.970 -7.107
14 HB3 SER 3 2HB SER 3 13.954 14.802 -7.503
15 HG SER 3 HG SER 3 11.836 13.864 -7.449
16 H GLY 4 H GLY 4 13.256 13.226 -4.250
17 HA2 GLY 4 1HA GLY 4 15.897 12.365 -3.361
18 HA3 GLY 4 2HA GLY 4 14.376 11.510 -3.139
19 H SER 5 H SER 5 16.913 10.365 -3.832
20 HA SER 5 HA SER 5 16.984 9.614 -6.624
21 HB2 SER 5 1HB SER 5 18.313 8.281 -4.237
22 HB3 SER 5 2HB SER 5 18.769 8.100 -5.938
23 HG SER 5 HG SER 5 19.334 10.307 -5.978
24 H SER 6 H SER 6 15.063 8.449 -4.034
25 HA SER 6 HA SER 6 13.974 6.237 -5.648
26 HB2 SER 6 1HB SER 6 14.162 4.624 -3.802
27 HB3 SER 6 2HB SER 6 15.753 5.148 -4.365
28 HG SER 6 HG SER 6 15.618 5.138 -2.074
29 H GLY 7 H GLY 7 11.992 5.279 -4.525
30 HA2 GLY 7 1HA GLY 7 10.611 6.825 -2.501
31 HA3 GLY 7 2HA GLY 7 10.006 7.183 -4.123
32 H LEU 8 H LEU 8 8.245 6.309 -2.446
33 HA LEU 8 HA LEU 8 7.811 3.399 -2.701
34 HB2 LEU 8 1HB LEU 8 6.081 5.600 -1.512
35 HB3 LEU 8 2HB LEU 8 5.732 3.871 -1.455
36 HG LEU 8 HG LEU 8 8.211 5.136 -0.196
37 HD11 LEU 8 1HD1 LEU 8 6.155 5.953 0.889
38 HD12 LEU 8 2HD1 LEU 8 7.084 4.880 1.946
39 HD13 LEU 8 3HD1 LEU 8 5.623 4.275 1.142
40 HD21 LEU 8 3HD2 LEU 8 8.366 3.007 1.031
41 HD22 LEU 8 1HD2 LEU 8 8.458 2.721 -0.709
42 HD23 LEU 8 2HD2 LEU 8 6.947 2.386 0.166
43 H LEU 9 H LEU 9 6.522 2.462 -4.112
44 HA LEU 9 HA LEU 9 5.767 4.080 -6.491
45 HB2 LEU 9 1HB LEU 9 6.395 1.136 -6.087
46 HB3 LEU 9 2HB LEU 9 5.935 1.846 -7.625
47 HG LEU 9 HG LEU 9 8.446 2.507 -6.015
48 HD11 LEU 9 1HD1 LEU 9 8.074 1.013 -8.644
49 HD12 LEU 9 2HD1 LEU 9 8.468 0.280 -7.074
50 HD13 LEU 9 3HD1 LEU 9 9.623 1.375 -7.848
51 HD21 LEU 9 3HD2 LEU 9 9.173 3.733 -8.062
52 HD22 LEU 9 1HD2 LEU 9 7.786 4.494 -7.285
53 HD23 LEU 9 2HD2 LEU 9 7.548 3.515 -8.752
54 H TYR 10 H TYR 10 4.243 1.926 -4.173
55 HA TYR 10 HA TYR 10 1.693 1.984 -5.757
56 HB2 TYR 10 1HB TYR 10 2.690 -0.165 -3.855
57 HB3 TYR 10 2HB TYR 10 1.175 -0.177 -4.727
58 HD1 TYR 10 1HD TYR 10 4.858 -0.430 -5.093
59 HD2 TYR 10 2HD TYR 10 1.052 -0.682 -7.107
60 HE1 TYR 10 1HE TYR 10 5.990 -1.357 -7.112
61 HE2 TYR 10 2HE TYR 10 2.176 -1.650 -9.107
62 HH TYR 10 HH TYR 10 5.725 -2.158 -9.246
63 H ASP 11 H ASP 11 -0.258 2.346 -4.703
64 HA ASP 11 HA ASP 11 -0.076 3.394 -1.915
65 HB2 ASP 11 1HB ASP 11 -1.273 5.328 -2.524
66 HB3 ASP 11 2HB ASP 11 0.078 5.177 -3.638
67 H CYS 12 H CYS 12 -1.697 3.148 -0.561
68 HA CYS 12 HA CYS 12 -3.941 1.360 -1.110
69 HB2 CYS 12 1HB CYS 12 -2.762 1.314 1.007
70 HB3 CYS 12 2HB CYS 12 -3.066 3.042 1.263
71 H HIS 13 H HIS 13 -5.953 1.939 -1.680
72 HA HIS 13 HA HIS 13 -6.623 4.802 -2.009
73 HB2 HIS 13 1HB HIS 13 -8.441 4.066 -3.413
74 HB3 HIS 13 2HB HIS 13 -6.901 3.410 -3.940
75 HD1 HIS 13 1HD HIS 13 -6.836 0.807 -4.268
76 HD2 HIS 13 2HD HIS 13 -10.163 2.260 -2.143
77 HE1 HIS 13 1HE HIS 13 -8.433 -1.164 -4.005
78 H ILE 14 H ILE 14 -6.858 2.820 0.569
79 HA ILE 14 HA ILE 14 -9.542 3.825 1.453
80 HB ILE 14 HB ILE 14 -7.810 1.761 2.783
81 HG12 ILE 14 1HG1 ILE 14 -8.440 0.882 0.587
82 HG13 ILE 14 2HG1 ILE 14 -9.204 0.020 1.900
83 HG21 ILE 14 1HG2 ILE 14 -9.348 2.728 4.356
84 HG22 ILE 14 2HG2 ILE 14 -10.697 2.613 3.210
85 HG23 ILE 14 3HG2 ILE 14 -9.984 1.146 3.910
86 HD11 ILE 14 3HD1 ILE 14 -10.699 0.339 0.008
87 HD12 ILE 14 1HD1 ILE 14 -11.334 1.101 1.476
88 HD13 ILE 14 2HD1 ILE 14 -10.593 2.106 0.200
89 H CYS 15 H CYS 15 -6.110 3.684 2.431
90 HA CYS 15 HA CYS 15 -6.579 5.840 4.431
91 HB2 CYS 15 1HB CYS 15 -5.362 4.737 6.083
92 HB3 CYS 15 2HB CYS 15 -6.643 3.670 5.512
93 H GLU 16 H GLU 16 -4.938 5.186 1.722
94 HA GLU 16 HA GLU 16 -3.358 6.284 0.592
95 HB2 GLU 16 1HB GLU 16 -4.660 8.131 2.020
96 HB3 GLU 16 2HB GLU 16 -3.044 8.407 2.665
97 HG2 GLU 16 1HG GLU 16 -2.223 8.620 0.256
98 HG3 GLU 16 2HG GLU 16 -3.897 8.446 -0.267
99 H ARG 17 H ARG 17 -2.423 4.562 3.147
100 HA ARG 17 HA ARG 17 0.367 5.271 3.332
101 HB2 ARG 17 1HB ARG 17 -1.295 3.330 4.560
102 HB3 ARG 17 2HB ARG 17 -0.185 2.377 3.590
103 HG2 ARG 17 1HG ARG 17 1.543 4.214 4.796
104 HG3 ARG 17 2HG ARG 17 0.282 4.043 6.009
105 HD2 ARG 17 1HD ARG 17 1.822 2.434 6.621
106 HD3 ARG 17 2HD ARG 17 0.642 1.468 5.723
107 HE ARG 17 HE ARG 17 2.354 1.992 3.726
108 HH11 ARG 17 2HH1 ARG 17 3.180 0.935 6.963
109 HH12 ARG 17 1HH1 ARG 17 4.754 0.379 6.462
110 HH21 ARG 17 2HH2 ARG 17 4.368 1.396 3.192
111 HH22 ARG 17 1HH2 ARG 17 5.402 0.602 4.362
112 H LYS 18 H LYS 18 2.180 4.275 2.364
113 HA LYS 18 HA LYS 18 1.675 3.170 -0.364
114 HB2 LYS 18 1HB LYS 18 3.468 5.468 0.468
115 HB3 LYS 18 2HB LYS 18 3.600 4.643 -1.091
116 HG2 LYS 18 1HG LYS 18 1.475 5.272 -1.819
117 HG3 LYS 18 2HG LYS 18 0.947 5.831 -0.237
118 HD2 LYS 18 1HD LYS 18 3.210 7.117 -1.808
119 HD3 LYS 18 2HD LYS 18 1.534 7.651 -1.918
120 HE2 LYS 18 1HE LYS 18 3.055 7.498 0.720
121 HE3 LYS 18 2HE LYS 18 3.061 8.933 -0.307
122 HZ1 LYS 18 3HZ LYS 18 0.593 7.734 0.873
123 HZ2 LYS 18 1HZ LYS 18 0.650 9.065 -0.076
124 HZ3 LYS 18 2HZ LYS 18 1.342 9.086 1.397
125 H PHE 19 H PHE 19 3.367 2.094 -1.378
126 HA PHE 19 HA PHE 19 5.253 0.642 0.446
127 HB2 PHE 19 1HB PHE 19 3.248 -0.606 -1.455
128 HB3 PHE 19 2HB PHE 19 4.365 -1.459 -0.413
129 HD1 PHE 19 1HD PHE 19 4.015 -1.645 2.015
130 HD2 PHE 19 2HD PHE 19 1.216 0.463 -0.495
131 HE1 PHE 19 1HE PHE 19 2.399 -1.548 3.897
132 HE2 PHE 19 2HE PHE 19 -0.370 0.630 1.418
133 HZ PHE 19 HZ PHE 19 0.231 -0.372 3.615
134 H LYS 20 H LYS 20 6.774 -0.763 -0.594
135 HA LYS 20 HA LYS 20 8.031 0.443 -2.929
136 HB2 LYS 20 1HB LYS 20 8.756 -2.033 -1.296
137 HB3 LYS 20 2HB LYS 20 9.759 -1.309 -2.558
138 HG2 LYS 20 1HG LYS 20 9.898 0.799 -1.246
139 HG3 LYS 20 2HG LYS 20 8.900 0.069 0.020
140 HD2 LYS 20 1HD LYS 20 11.190 -0.024 0.719
141 HD3 LYS 20 2HD LYS 20 10.638 -1.672 0.386
142 HE2 LYS 20 1HE LYS 20 11.765 -1.603 -1.830
143 HE3 LYS 20 2HE LYS 20 12.269 0.065 -1.528
144 HZ1 LYS 20 3HZ LYS 20 13.111 -2.287 0.085
145 HZ2 LYS 20 1HZ LYS 20 13.582 -0.747 0.360
146 HZ3 LYS 20 2HZ LYS 20 14.043 -1.510 -1.005
147 H ASN 21 H ASN 21 6.237 -2.551 -2.365
148 HA ASN 21 HA ASN 21 6.356 -3.154 -5.297
149 HB2 ASN 21 1HB ASN 21 6.060 -5.166 -3.034
150 HB3 ASN 21 2HB ASN 21 6.147 -5.522 -4.751
151 HD21 ASN 21 1HD2 ASN 21 7.942 -4.729 -1.894
152 HD22 ASN 21 2HD2 ASN 21 9.516 -5.101 -2.598
153 H GLU 22 H GLU 22 4.532 -4.157 -6.209
154 HA GLU 22 HA GLU 22 1.956 -3.175 -5.437
155 HB2 GLU 22 1HB GLU 22 2.786 -4.002 -7.748
156 HB3 GLU 22 2HB GLU 22 2.516 -5.634 -7.150
157 HG2 GLU 22 1HG GLU 22 0.128 -5.102 -6.769
158 HG3 GLU 22 2HG GLU 22 0.403 -3.432 -7.260
159 H LEU 23 H LEU 23 3.631 -6.251 -4.874
160 HA LEU 23 HA LEU 23 1.591 -7.723 -3.586
161 HB2 LEU 23 1HB LEU 23 3.630 -8.748 -4.383
162 HB3 LEU 23 2HB LEU 23 4.624 -7.724 -3.344
163 HG LEU 23 HG LEU 23 3.706 -8.836 -1.334
164 HD11 LEU 23 1HD1 LEU 23 1.510 -9.581 -2.137
165 HD12 LEU 23 2HD1 LEU 23 2.451 -10.962 -1.572
166 HD13 LEU 23 3HD1 LEU 23 2.286 -10.664 -3.317
167 HD21 LEU 23 3HD2 LEU 23 4.852 -10.748 -3.404
168 HD22 LEU 23 1HD2 LEU 23 4.886 -10.964 -1.639
169 HD23 LEU 23 2HD2 LEU 23 5.784 -9.628 -2.381
170 H ASP 24 H ASP 24 4.121 -5.620 -2.071
171 HA ASP 24 HA ASP 24 3.322 -6.021 0.616
172 HB2 ASP 24 1HB ASP 24 4.561 -3.594 -0.707
173 HB3 ASP 24 2HB ASP 24 4.470 -3.838 1.040
174 H ARG 25 H ARG 25 2.091 -3.727 -1.751
175 HA ARG 25 HA ARG 25 0.271 -2.375 0.110
176 HB2 ARG 25 1HB ARG 25 1.348 -1.350 -1.919
177 HB3 ARG 25 2HB ARG 25 0.388 -2.337 -2.940
178 HG2 ARG 25 1HG ARG 25 -0.812 -0.387 -0.891
179 HG3 ARG 25 2HG ARG 25 -0.336 0.097 -2.518
180 HD2 ARG 25 1HD ARG 25 -2.533 -1.811 -1.720
181 HD3 ARG 25 2HD ARG 25 -2.684 -0.249 -2.501
182 HE ARG 25 HE ARG 25 -1.396 -2.654 -3.709
183 HH11 ARG 25 2HH1 ARG 25 -2.857 0.462 -4.382
184 HH12 ARG 25 1HH1 ARG 25 -3.230 0.014 -6.028
185 HH21 ARG 25 2HH2 ARG 25 -2.185 -3.257 -5.634
186 HH22 ARG 25 1HH2 ARG 25 -2.751 -2.047 -6.780
187 H ASP 26 H ASP 26 -0.075 -4.874 -2.422
188 HA ASP 26 HA ASP 26 -2.879 -5.111 -2.292
189 HB2 ASP 26 1HB ASP 26 -0.646 -6.945 -3.184
190 HB3 ASP 26 2HB ASP 26 -2.284 -7.549 -3.086
191 H ARG 27 H ARG 27 -0.397 -6.915 -0.357
192 HA ARG 27 HA ARG 27 -2.480 -8.324 1.131
193 HB2 ARG 27 1HB ARG 27 -0.806 -9.149 2.576
194 HB3 ARG 27 2HB ARG 27 -0.297 -9.343 0.901
195 HG2 ARG 27 1HG ARG 27 1.356 -7.654 1.081
196 HG3 ARG 27 2HG ARG 27 0.663 -6.963 2.533
197 HD2 ARG 27 1HD ARG 27 1.193 -9.138 3.739
198 HD3 ARG 27 2HD ARG 27 2.057 -9.676 2.299
199 HE ARG 27 HE ARG 27 2.894 -7.675 4.283
200 HH11 ARG 27 2HH1 ARG 27 3.627 -8.886 1.051
201 HH12 ARG 27 1HH1 ARG 27 5.021 -7.803 0.941
202 HH21 ARG 27 2HH2 ARG 27 4.803 -6.489 4.012
203 HH22 ARG 27 1HH2 ARG 27 5.620 -6.607 2.455
204 H HIS 28 H HIS 28 -1.079 -5.155 1.535
205 HA HIS 28 HA HIS 28 -2.114 -4.753 4.237
206 HB2 HIS 28 1HB HIS 28 -0.381 -3.297 3.602
207 HB3 HIS 28 2HB HIS 28 -1.101 -2.919 2.050
208 HD1 HIS 28 1HD HIS 28 -1.501 -1.990 5.746
209 HD2 HIS 28 2HD HIS 28 -2.993 -1.059 1.925
210 HE1 HIS 28 1HE HIS 28 -2.906 0.100 6.045
211 H MET 29 H MET 29 -3.591 -4.328 0.946
212 HA MET 29 HA MET 29 -5.930 -3.054 1.841
213 HB2 MET 29 1HB MET 29 -5.859 -5.155 -0.352
214 HB3 MET 29 2HB MET 29 -7.025 -3.856 -0.151
215 HG2 MET 29 1HG MET 29 -4.130 -3.650 -0.966
216 HG3 MET 29 2HG MET 29 -5.541 -3.234 -1.911
217 HE1 MET 29 3HE MET 29 -6.913 -1.123 -1.717
218 HE2 MET 29 1HE MET 29 -7.336 -1.379 -0.010
219 HE3 MET 29 2HE MET 29 -6.663 0.182 -0.537
220 H LEU 30 H LEU 30 -5.026 -6.373 2.418
221 HA LEU 30 HA LEU 30 -7.584 -7.500 3.011
222 HB2 LEU 30 1HB LEU 30 -4.896 -8.125 4.290
223 HB3 LEU 30 2HB LEU 30 -6.310 -9.158 4.286
224 HG LEU 30 HG LEU 30 -4.704 -8.375 1.810
225 HD11 LEU 30 1HD1 LEU 30 -3.495 -9.895 3.333
226 HD12 LEU 30 2HD1 LEU 30 -3.953 -10.707 1.827
227 HD13 LEU 30 3HD1 LEU 30 -4.875 -11.015 3.317
228 HD21 LEU 30 3HD2 LEU 30 -5.999 -10.136 0.667
229 HD22 LEU 30 1HD2 LEU 30 -7.036 -8.810 1.201
230 HD23 LEU 30 2HD2 LEU 30 -7.011 -10.337 2.117
231 H VAL 31 H VAL 31 -5.538 -5.309 4.937
232 HA VAL 31 HA VAL 31 -6.883 -5.813 7.446
233 HB VAL 31 HB VAL 31 -5.753 -4.056 8.381
234 HG11 VAL 31 1HG1 VAL 31 -3.455 -4.251 7.784
235 HG12 VAL 31 2HG1 VAL 31 -4.239 -5.832 7.614
236 HG13 VAL 31 3HG1 VAL 31 -3.855 -4.865 6.174
237 HG21 VAL 31 3HG2 VAL 31 -4.566 -2.231 7.117
238 HG22 VAL 31 1HG2 VAL 31 -5.521 -2.696 5.695
239 HG23 VAL 31 2HG2 VAL 31 -6.324 -2.133 7.164
240 H HIS 32 H HIS 32 -7.692 -3.902 4.675
241 HA HIS 32 HA HIS 32 -9.971 -2.546 5.994
242 HB2 HIS 32 1HB HIS 32 -9.088 -2.472 3.088
243 HB3 HIS 32 2HB HIS 32 -10.208 -1.380 3.896
244 HD1 HIS 32 1HD HIS 32 -8.655 -0.334 6.328
245 HD2 HIS 32 2HD HIS 32 -6.942 -1.134 2.572
246 HE1 HIS 32 1HE HIS 32 -6.530 1.051 6.237
247 H GLY 33 H GLY 33 -9.338 -5.056 3.518
248 HA2 GLY 33 1HA GLY 33 -12.007 -5.706 2.825
249 HA3 GLY 33 2HA GLY 33 -10.606 -6.777 2.707
250 H ASP 34 H ASP 34 -10.240 -6.555 5.748
251 HA ASP 34 HA ASP 34 -11.796 -8.721 6.700
252 HB2 ASP 34 1HB ASP 34 -9.646 -7.903 7.642
253 HB3 ASP 34 2HB ASP 34 -10.459 -6.453 8.228
254 H LYS 35 H LYS 35 -12.672 -5.336 6.440
255 HA LYS 35 HA LYS 35 -15.029 -5.596 8.185
256 HB2 LYS 35 1HB LYS 35 -13.562 -3.535 8.093
257 HB3 LYS 35 2HB LYS 35 -14.148 -3.246 6.461
258 HG2 LYS 35 1HG LYS 35 -15.325 -1.843 8.043
259 HG3 LYS 35 2HG LYS 35 -16.465 -2.991 7.344
260 HD2 LYS 35 1HD LYS 35 -16.368 -4.374 9.402
261 HD3 LYS 35 2HD LYS 35 -15.100 -3.327 10.050
262 HE2 LYS 35 1HE LYS 35 -17.154 -2.715 11.113
263 HE3 LYS 35 2HE LYS 35 -16.699 -1.404 10.023
264 HZ1 LYS 35 3HZ LYS 35 -18.725 -3.502 9.419
265 HZ2 LYS 35 1HZ LYS 35 -18.331 -2.265 8.422
266 HZ3 LYS 35 2HZ LYS 35 -19.064 -1.966 9.847
267 H TRP 36 H TRP 36 -15.502 -7.505 6.684
268 HA TRP 36 HA TRP 36 -16.850 -6.935 4.160
269 HB2 TRP 36 1HB TRP 36 -17.351 -9.295 4.112
270 HB3 TRP 36 2HB TRP 36 -15.657 -9.012 4.450
271 HD1 TRP 36 1HD TRP 36 -14.693 -9.871 6.722
272 HE1 TRP 36 1HE TRP 36 -15.546 -11.465 8.543
273 HE3 TRP 36 3HE TRP 36 -19.634 -10.075 5.370
274 HZ2 TRP 36 2HZ TRP 36 -18.043 -12.695 9.300
275 HZ3 TRP 36 3HZ TRP 36 -21.224 -11.490 6.651
276 HH2 TRP 36 2HH TRP 36 -20.444 -12.799 8.616
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 21.534 15.278 5.984
2 H2 GLY 1 2H GLY 1 21.265 14.679 7.487
3 H3 GLY 1 3H GLY 1 20.026 15.320 6.628
4 HA2 GLY 1 1HA GLY 1 20.188 13.572 4.973
5 HA3 GLY 1 2HA GLY 1 21.508 12.871 5.925
6 H SER 2 H SER 2 20.472 10.936 6.365
7 HA SER 2 HA SER 2 19.108 9.426 7.355
8 HB2 SER 2 1HB SER 2 19.114 11.477 9.585
9 HB3 SER 2 2HB SER 2 18.818 9.736 9.747
10 HG SER 2 HG SER 2 20.997 10.290 10.217
11 H SER 3 H SER 3 17.562 11.021 5.601
12 HA SER 3 HA SER 3 14.842 10.927 6.846
13 HB2 SER 3 1HB SER 3 15.936 13.157 5.086
14 HB3 SER 3 2HB SER 3 14.270 13.008 5.666
15 HG SER 3 HG SER 3 16.625 13.383 7.230
16 H GLY 4 H GLY 4 13.106 10.574 5.418
17 HA2 GLY 4 1HA GLY 4 11.992 9.784 3.548
18 HA3 GLY 4 2HA GLY 4 13.401 10.175 2.571
19 H SER 5 H SER 5 12.854 8.220 1.417
20 HA SER 5 HA SER 5 14.213 5.811 2.466
21 HB2 SER 5 1HB SER 5 12.395 4.331 1.897
22 HB3 SER 5 2HB SER 5 11.801 5.549 3.032
23 HG SER 5 HG SER 5 10.334 5.301 1.337
24 H SER 6 H SER 6 14.409 4.103 0.671
25 HA SER 6 HA SER 6 15.603 5.392 -1.626
26 HB2 SER 6 1HB SER 6 16.263 3.084 -2.247
27 HB3 SER 6 2HB SER 6 16.731 3.571 -0.613
28 HG SER 6 HG SER 6 15.895 1.524 -0.523
29 H GLY 7 H GLY 7 12.384 4.374 -1.152
30 HA2 GLY 7 1HA GLY 7 11.397 5.468 -3.402
31 HA3 GLY 7 2HA GLY 7 11.782 3.857 -4.004
32 H LEU 8 H LEU 8 9.257 5.283 -3.730
33 HA LEU 8 HA LEU 8 7.679 3.036 -2.633
34 HB2 LEU 8 1HB LEU 8 7.119 5.993 -2.139
35 HB3 LEU 8 2HB LEU 8 5.955 4.705 -1.849
36 HG LEU 8 HG LEU 8 8.647 4.918 -0.425
37 HD11 LEU 8 1HD1 LEU 8 7.175 6.797 0.153
38 HD12 LEU 8 2HD1 LEU 8 7.360 5.678 1.511
39 HD13 LEU 8 3HD1 LEU 8 5.866 5.660 0.550
40 HD21 LEU 8 3HD2 LEU 8 7.655 3.281 1.138
41 HD22 LEU 8 1HD2 LEU 8 7.739 2.614 -0.496
42 HD23 LEU 8 2HD2 LEU 8 6.188 3.202 0.137
43 H LEU 9 H LEU 9 6.099 2.423 -3.976
44 HA LEU 9 HA LEU 9 5.728 3.955 -6.544
45 HB2 LEU 9 1HB LEU 9 6.381 1.029 -6.056
46 HB3 LEU 9 2HB LEU 9 5.825 1.643 -7.605
47 HG LEU 9 HG LEU 9 8.400 2.484 -6.197
48 HD11 LEU 9 1HD1 LEU 9 9.512 1.193 -7.970
49 HD12 LEU 9 2HD1 LEU 9 7.933 0.705 -8.627
50 HD13 LEU 9 3HD1 LEU 9 8.441 0.158 -7.014
51 HD21 LEU 9 3HD2 LEU 9 8.981 3.503 -8.395
52 HD22 LEU 9 1HD2 LEU 9 7.598 4.301 -7.648
53 HD23 LEU 9 2HD2 LEU 9 7.338 3.152 -8.982
54 H TYR 10 H TYR 10 4.151 1.915 -4.158
55 HA TYR 10 HA TYR 10 1.615 1.985 -5.759
56 HB2 TYR 10 1HB TYR 10 2.607 -0.191 -3.884
57 HB3 TYR 10 2HB TYR 10 1.092 -0.192 -4.762
58 HD1 TYR 10 1HD TYR 10 4.764 -0.497 -5.077
59 HD2 TYR 10 2HD TYR 10 1.001 -0.616 -7.184
60 HE1 TYR 10 1HE TYR 10 5.924 -1.379 -7.099
61 HE2 TYR 10 2HE TYR 10 2.155 -1.546 -9.185
62 HH TYR 10 HH TYR 10 5.697 -2.107 -9.264
63 H ASP 11 H ASP 11 -0.327 2.390 -4.686
64 HA ASP 11 HA ASP 11 -0.098 3.381 -1.884
65 HB2 ASP 11 1HB ASP 11 -1.251 5.367 -2.444
66 HB3 ASP 11 2HB ASP 11 0.121 5.210 -3.530
67 H CYS 12 H CYS 12 -1.772 3.296 -0.557
68 HA CYS 12 HA CYS 12 -4.024 1.491 -1.089
69 HB2 CYS 12 1HB CYS 12 -2.814 1.415 1.019
70 HB3 CYS 12 2HB CYS 12 -3.145 3.136 1.308
71 H HIS 13 H HIS 13 -6.034 2.095 -1.607
72 HA HIS 13 HA HIS 13 -6.705 4.970 -1.867
73 HB2 HIS 13 1HB HIS 13 -8.542 4.243 -3.275
74 HB3 HIS 13 2HB HIS 13 -6.989 3.657 -3.843
75 HD1 HIS 13 1HD HIS 13 -6.785 1.048 -4.172
76 HD2 HIS 13 2HD HIS 13 -10.232 2.352 -2.143
77 HE1 HIS 13 1HE HIS 13 -8.315 -0.983 -3.983
78 H ILE 14 H ILE 14 -6.918 2.889 0.641
79 HA ILE 14 HA ILE 14 -9.609 3.827 1.565
80 HB ILE 14 HB ILE 14 -7.841 1.759 2.833
81 HG12 ILE 14 1HG1 ILE 14 -8.425 0.923 0.614
82 HG13 ILE 14 2HG1 ILE 14 -9.199 0.016 1.891
83 HG21 ILE 14 1HG2 ILE 14 -9.413 2.640 4.422
84 HG22 ILE 14 2HG2 ILE 14 -10.751 2.525 3.261
85 HG23 ILE 14 3HG2 ILE 14 -10.005 1.058 3.922
86 HD11 ILE 14 3HD1 ILE 14 -10.589 2.125 0.218
87 HD12 ILE 14 1HD1 ILE 14 -10.671 0.362 -0.016
88 HD13 ILE 14 2HD1 ILE 14 -11.337 1.083 1.458
89 H CYS 15 H CYS 15 -6.163 3.757 2.503
90 HA CYS 15 HA CYS 15 -6.671 5.830 4.576
91 HB2 CYS 15 1HB CYS 15 -5.379 4.724 6.173
92 HB3 CYS 15 2HB CYS 15 -6.650 3.643 5.612
93 H GLU 16 H GLU 16 -5.123 5.380 1.818
94 HA GLU 16 HA GLU 16 -3.587 6.554 0.697
95 HB2 GLU 16 1HB GLU 16 -4.917 8.291 2.239
96 HB3 GLU 16 2HB GLU 16 -3.294 8.601 2.851
97 HG2 GLU 16 1HG GLU 16 -2.541 8.995 0.466
98 HG3 GLU 16 2HG GLU 16 -4.193 8.684 -0.068
99 H ARG 17 H ARG 17 -2.589 4.677 2.976
100 HA ARG 17 HA ARG 17 0.222 5.390 3.292
101 HB2 ARG 17 1HB ARG 17 -1.340 2.796 3.609
102 HB3 ARG 17 2HB ARG 17 0.412 2.874 3.834
103 HG2 ARG 17 1HG ARG 17 0.191 4.552 5.599
104 HG3 ARG 17 2HG ARG 17 -1.566 4.598 5.365
105 HD2 ARG 17 1HD ARG 17 -1.682 2.179 5.932
106 HD3 ARG 17 2HD ARG 17 0.058 2.152 6.183
107 HE ARG 17 HE ARG 17 -0.163 3.192 8.229
108 HH11 ARG 17 2HH1 ARG 17 -3.367 3.440 6.698
109 HH12 ARG 17 1HH1 ARG 17 -4.068 3.982 8.192
110 HH21 ARG 17 2HH2 ARG 17 -1.187 3.905 10.034
111 HH22 ARG 17 1HH2 ARG 17 -2.892 4.249 10.000
112 H LYS 18 H LYS 18 1.941 4.011 2.481
113 HA LYS 18 HA LYS 18 1.640 3.266 -0.384
114 HB2 LYS 18 1HB LYS 18 3.561 5.408 0.586
115 HB3 LYS 18 2HB LYS 18 3.561 4.674 -1.029
116 HG2 LYS 18 1HG LYS 18 1.210 5.473 -1.352
117 HG3 LYS 18 2HG LYS 18 1.335 6.370 0.167
118 HD2 LYS 18 1HD LYS 18 3.115 6.772 -2.280
119 HD3 LYS 18 2HD LYS 18 1.726 7.774 -1.835
120 HE2 LYS 18 1HE LYS 18 2.840 8.343 0.328
121 HE3 LYS 18 2HE LYS 18 4.257 7.407 -0.168
122 HZ1 LYS 18 3HZ LYS 18 4.508 8.931 -2.062
123 HZ2 LYS 18 1HZ LYS 18 4.543 9.765 -0.659
124 HZ3 LYS 18 2HZ LYS 18 3.205 9.795 -1.591
125 H PHE 19 H PHE 19 3.192 2.011 -1.307
126 HA PHE 19 HA PHE 19 5.068 0.597 0.544
127 HB2 PHE 19 1HB PHE 19 3.145 -0.595 -1.466
128 HB3 PHE 19 2HB PHE 19 4.169 -1.493 -0.368
129 HD1 PHE 19 1HD PHE 19 3.708 -1.550 2.076
130 HD2 PHE 19 2HD PHE 19 1.086 0.529 -0.649
131 HE1 PHE 19 1HE PHE 19 2.021 -1.308 3.880
132 HE2 PHE 19 2HE PHE 19 -0.587 0.790 1.167
133 HZ PHE 19 HZ PHE 19 -0.105 -0.116 3.434
134 H LYS 20 H LYS 20 6.606 -0.791 -0.460
135 HA LYS 20 HA LYS 20 7.989 0.535 -2.646
136 HB2 LYS 20 1HB LYS 20 8.731 -2.036 -1.179
137 HB3 LYS 20 2HB LYS 20 9.771 -1.045 -2.195
138 HG2 LYS 20 1HG LYS 20 9.195 0.879 -0.478
139 HG3 LYS 20 2HG LYS 20 8.629 -0.433 0.550
140 HD2 LYS 20 1HD LYS 20 10.830 -0.052 1.250
141 HD3 LYS 20 2HD LYS 20 10.971 -1.490 0.220
142 HE2 LYS 20 1HE LYS 20 11.693 -0.029 -1.679
143 HE3 LYS 20 2HE LYS 20 11.469 1.397 -0.662
144 HZ1 LYS 20 3HZ LYS 20 13.481 -0.742 -0.233
145 HZ2 LYS 20 1HZ LYS 20 13.201 0.466 0.833
146 HZ3 LYS 20 2HZ LYS 20 13.775 0.820 -0.644
147 H ASN 21 H ASN 21 6.306 -2.567 -2.326
148 HA ASN 21 HA ASN 21 6.422 -2.899 -5.291
149 HB2 ASN 21 1HB ASN 21 6.480 -5.380 -4.912
150 HB3 ASN 21 2HB ASN 21 7.947 -4.563 -4.440
151 HD21 ASN 21 1HD2 ASN 21 8.576 -4.584 -2.241
152 HD22 ASN 21 2HD2 ASN 21 7.551 -5.293 -0.979
153 H GLU 22 H GLU 22 4.724 -4.180 -6.179
154 HA GLU 22 HA GLU 22 2.152 -3.211 -5.483
155 HB2 GLU 22 1HB GLU 22 3.051 -4.014 -7.747
156 HB3 GLU 22 2HB GLU 22 2.797 -5.660 -7.180
157 HG2 GLU 22 1HG GLU 22 0.380 -5.195 -6.913
158 HG3 GLU 22 2HG GLU 22 0.637 -3.512 -7.365
159 H LEU 23 H LEU 23 3.771 -6.251 -4.770
160 HA LEU 23 HA LEU 23 1.632 -7.748 -3.654
161 HB2 LEU 23 1HB LEU 23 3.639 -8.809 -4.367
162 HB3 LEU 23 2HB LEU 23 4.665 -7.782 -3.375
163 HG LEU 23 HG LEU 23 3.747 -8.869 -1.314
164 HD11 LEU 23 1HD1 LEU 23 2.280 -10.688 -3.280
165 HD12 LEU 23 2HD1 LEU 23 1.522 -9.574 -2.120
166 HD13 LEU 23 3HD1 LEU 23 2.437 -10.963 -1.531
167 HD21 LEU 23 3HD2 LEU 23 5.789 -9.726 -2.389
168 HD22 LEU 23 1HD2 LEU 23 4.811 -10.824 -3.392
169 HD23 LEU 23 2HD2 LEU 23 4.863 -11.029 -1.626
170 H ASP 24 H ASP 24 4.051 -5.642 -1.993
171 HA ASP 24 HA ASP 24 3.038 -6.020 0.611
172 HB2 ASP 24 1HB ASP 24 4.825 -3.978 -0.664
173 HB3 ASP 24 2HB ASP 24 4.156 -3.636 0.926
174 H ARG 25 H ARG 25 2.063 -3.697 -1.843
175 HA ARG 25 HA ARG 25 0.122 -2.332 -0.121
176 HB2 ARG 25 1HB ARG 25 1.200 -1.315 -2.122
177 HB3 ARG 25 2HB ARG 25 0.341 -2.417 -3.148
178 HG2 ARG 25 1HG ARG 25 -1.094 -0.498 -1.240
179 HG3 ARG 25 2HG ARG 25 -0.533 0.011 -2.825
180 HD2 ARG 25 1HD ARG 25 -2.657 -2.051 -2.228
181 HD3 ARG 25 2HD ARG 25 -2.848 -0.482 -3.008
182 HE ARG 25 HE ARG 25 -1.112 -1.599 -4.700
183 HH11 ARG 25 2HH1 ARG 25 -4.059 -3.020 -3.498
184 HH12 ARG 25 1HH1 ARG 25 -3.869 -4.462 -4.491
185 HH21 ARG 25 2HH2 ARG 25 -1.053 -3.323 -6.081
186 HH22 ARG 25 1HH2 ARG 25 -2.173 -4.629 -5.870
187 H ASP 26 H ASP 26 -0.101 -4.995 -2.547
188 HA ASP 26 HA ASP 26 -2.898 -5.237 -2.337
189 HB2 ASP 26 1HB ASP 26 -0.709 -7.031 -3.318
190 HB3 ASP 26 2HB ASP 26 -2.177 -7.849 -2.835
191 H ARG 27 H ARG 27 -0.345 -6.917 -0.415
192 HA ARG 27 HA ARG 27 -2.304 -8.314 1.179
193 HB2 ARG 27 1HB ARG 27 -0.582 -9.055 2.599
194 HB3 ARG 27 2HB ARG 27 -0.111 -9.260 0.915
195 HG2 ARG 27 1HG ARG 27 1.508 -7.523 1.044
196 HG3 ARG 27 2HG ARG 27 0.852 -6.874 2.540
197 HD2 ARG 27 1HD ARG 27 1.527 -8.914 3.742
198 HD3 ARG 27 2HD ARG 27 2.066 -9.662 2.227
199 HE ARG 27 HE ARG 27 3.593 -7.330 2.418
200 HH11 ARG 27 2HH1 ARG 27 3.241 -10.170 4.469
201 HH12 ARG 27 1HH1 ARG 27 4.880 -10.031 5.043
202 HH21 ARG 27 2HH2 ARG 27 5.557 -7.246 3.112
203 HH22 ARG 27 1HH2 ARG 27 6.199 -8.384 4.301
204 H HIS 28 H HIS 28 -1.009 -5.085 1.481
205 HA HIS 28 HA HIS 28 -2.019 -4.645 4.168
206 HB2 HIS 28 1HB HIS 28 -0.358 -3.153 3.361
207 HB3 HIS 28 2HB HIS 28 -1.237 -2.824 1.873
208 HD1 HIS 28 1HD HIS 28 -1.532 -2.035 5.640
209 HD2 HIS 28 2HD HIS 28 -3.060 -0.955 1.873
210 HE1 HIS 28 1HE HIS 28 -2.983 0.005 6.046
211 H MET 29 H MET 29 -3.600 -4.302 0.889
212 HA MET 29 HA MET 29 -5.937 -3.090 1.850
213 HB2 MET 29 1HB MET 29 -5.939 -5.198 -0.331
214 HB3 MET 29 2HB MET 29 -7.078 -3.879 -0.098
215 HG2 MET 29 1HG MET 29 -4.235 -3.756 -1.057
216 HG3 MET 29 2HG MET 29 -5.690 -3.281 -1.910
217 HE1 MET 29 3HE MET 29 -7.271 -1.370 0.079
218 HE2 MET 29 1HE MET 29 -6.571 0.179 -0.450
219 HE3 MET 29 2HE MET 29 -6.941 -1.083 -1.645
220 H LEU 30 H LEU 30 -4.956 -6.388 2.398
221 HA LEU 30 HA LEU 30 -7.460 -7.584 3.068
222 HB2 LEU 30 1HB LEU 30 -4.741 -8.093 4.333
223 HB3 LEU 30 2HB LEU 30 -6.119 -9.178 4.339
224 HG LEU 30 HG LEU 30 -4.524 -8.362 1.867
225 HD11 LEU 30 1HD1 LEU 30 -4.651 -11.002 3.378
226 HD12 LEU 30 2HD1 LEU 30 -3.297 -9.850 3.406
227 HD13 LEU 30 3HD1 LEU 30 -3.721 -10.676 1.897
228 HD21 LEU 30 3HD2 LEU 30 -6.837 -8.848 1.232
229 HD22 LEU 30 1HD2 LEU 30 -6.793 -10.370 2.154
230 HD23 LEU 30 2HD2 LEU 30 -5.768 -10.156 0.714
231 H VAL 31 H VAL 31 -5.428 -5.312 4.932
232 HA VAL 31 HA VAL 31 -6.740 -5.794 7.461
233 HB VAL 31 HB VAL 31 -5.627 -4.015 8.351
234 HG11 VAL 31 1HG1 VAL 31 -4.100 -5.790 7.604
235 HG12 VAL 31 2HG1 VAL 31 -3.731 -4.839 6.149
236 HG13 VAL 31 3HG1 VAL 31 -3.328 -4.202 7.748
237 HG21 VAL 31 3HG2 VAL 31 -5.425 -2.684 5.655
238 HG22 VAL 31 1HG2 VAL 31 -6.218 -2.114 7.125
239 HG23 VAL 31 2HG2 VAL 31 -4.460 -2.198 7.063
240 H HIS 32 H HIS 32 -7.672 -4.047 4.670
241 HA HIS 32 HA HIS 32 -9.924 -2.651 6.014
242 HB2 HIS 32 1HB HIS 32 -9.047 -2.558 3.105
243 HB3 HIS 32 2HB HIS 32 -10.186 -1.486 3.911
244 HD1 HIS 32 1HD HIS 32 -8.637 -0.441 6.359
245 HD2 HIS 32 2HD HIS 32 -6.949 -1.141 2.568
246 HE1 HIS 32 1HE HIS 32 -6.564 1.013 6.258
247 H GLY 33 H GLY 33 -9.312 -5.144 3.506
248 HA2 GLY 33 1HA GLY 33 -12.073 -5.600 2.853
249 HA3 GLY 33 2HA GLY 33 -10.694 -6.620 2.430
250 H ASP 34 H ASP 34 -9.955 -7.111 5.271
251 HA ASP 34 HA ASP 34 -12.151 -8.969 6.084
252 HB2 ASP 34 1HB ASP 34 -9.148 -9.382 6.163
253 HB3 ASP 34 2HB ASP 34 -10.329 -10.462 6.895
254 H LYS 35 H LYS 35 -11.883 -6.256 6.983
255 HA LYS 35 HA LYS 35 -10.772 -6.078 9.627
256 HB2 LYS 35 1HB LYS 35 -11.847 -3.905 9.685
257 HB3 LYS 35 2HB LYS 35 -11.124 -4.170 8.101
258 HG2 LYS 35 1HG LYS 35 -13.375 -4.769 7.180
259 HG3 LYS 35 2HG LYS 35 -14.090 -4.460 8.771
260 HD2 LYS 35 1HD LYS 35 -13.398 -2.101 8.669
261 HD3 LYS 35 2HD LYS 35 -12.520 -2.399 7.166
262 HE2 LYS 35 1HE LYS 35 -14.582 -1.335 6.592
263 HE3 LYS 35 2HE LYS 35 -14.643 -3.006 6.027
264 HZ1 LYS 35 3HZ LYS 35 -16.704 -2.289 7.145
265 HZ2 LYS 35 1HZ LYS 35 -15.904 -2.036 8.544
266 HZ3 LYS 35 2HZ LYS 35 -16.037 -3.552 7.927
267 H TRP 36 H TRP 36 -13.507 -7.729 8.721
268 HA TRP 36 HA TRP 36 -15.481 -6.951 10.582
269 HB2 TRP 36 1HB TRP 36 -15.331 -9.651 9.234
270 HB3 TRP 36 2HB TRP 36 -16.759 -8.715 9.658
271 HD1 TRP 36 1HD TRP 36 -14.276 -9.306 6.939
272 HE1 TRP 36 1HE TRP 36 -14.592 -7.730 4.942
273 HE3 TRP 36 3HE TRP 36 -17.821 -6.194 8.941
274 HZ2 TRP 36 2HZ TRP 36 -16.285 -5.493 4.250
275 HZ3 TRP 36 3HZ TRP 36 -18.814 -4.378 7.563
276 HH2 TRP 36 2HH TRP 36 -18.054 -4.018 5.219
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 22.360 1.948 -12.644
2 H2 GLY 1 2H GLY 1 22.479 2.987 -11.385
3 H3 GLY 1 3H GLY 1 23.821 2.562 -12.225
4 HA2 GLY 1 1HA GLY 1 23.153 4.783 -12.843
5 HA3 GLY 1 2HA GLY 1 23.009 3.657 -14.206
6 H SER 2 H SER 2 21.563 5.393 -14.965
7 HA SER 2 HA SER 2 19.579 6.292 -15.506
8 HB2 SER 2 1HB SER 2 18.324 3.837 -14.246
9 HB3 SER 2 2HB SER 2 17.543 4.966 -15.362
10 HG SER 2 HG SER 2 18.375 3.112 -16.437
11 H SER 3 H SER 3 17.353 7.080 -14.742
12 HA SER 3 HA SER 3 17.819 8.688 -12.356
13 HB2 SER 3 1HB SER 3 15.735 9.825 -13.089
14 HB3 SER 3 2HB SER 3 16.979 9.733 -14.347
15 HG SER 3 HG SER 3 14.884 9.161 -15.133
16 H GLY 4 H GLY 4 16.166 5.714 -12.860
17 HA2 GLY 4 1HA GLY 4 14.041 5.966 -10.939
18 HA3 GLY 4 2HA GLY 4 14.694 4.463 -11.578
19 H SER 5 H SER 5 13.811 4.861 -8.921
20 HA SER 5 HA SER 5 16.190 4.017 -7.408
21 HB2 SER 5 1HB SER 5 16.066 6.517 -7.151
22 HB3 SER 5 2HB SER 5 14.465 6.320 -6.413
23 HG SER 5 HG SER 5 16.203 6.426 -4.872
24 H SER 6 H SER 6 15.641 3.024 -5.373
25 HA SER 6 HA SER 6 13.265 1.361 -5.566
26 HB2 SER 6 1HB SER 6 15.473 1.371 -3.482
27 HB3 SER 6 2HB SER 6 14.266 0.094 -3.741
28 HG SER 6 HG SER 6 16.273 -0.363 -4.778
29 H GLY 7 H GLY 7 12.351 3.897 -5.149
30 HA2 GLY 7 1HA GLY 7 11.692 4.446 -2.340
31 HA3 GLY 7 2HA GLY 7 11.138 5.317 -3.765
32 H LEU 8 H LEU 8 9.143 5.383 -2.541
33 HA LEU 8 HA LEU 8 7.491 2.928 -2.483
34 HB2 LEU 8 1HB LEU 8 6.779 5.780 -1.712
35 HB3 LEU 8 2HB LEU 8 5.805 4.336 -1.439
36 HG LEU 8 HG LEU 8 8.510 4.922 -0.149
37 HD11 LEU 8 1HD1 LEU 8 6.635 6.337 0.660
38 HD12 LEU 8 2HD1 LEU 8 7.247 5.228 1.899
39 HD13 LEU 8 3HD1 LEU 8 5.723 4.864 1.065
40 HD21 LEU 8 3HD2 LEU 8 8.160 2.485 -0.408
41 HD22 LEU 8 1HD2 LEU 8 6.557 2.637 0.345
42 HD23 LEU 8 2HD2 LEU 8 8.024 2.971 1.285
43 H LEU 9 H LEU 9 6.089 2.413 -3.967
44 HA LEU 9 HA LEU 9 5.693 4.210 -6.338
45 HB2 LEU 9 1HB LEU 9 6.405 1.261 -6.134
46 HB3 LEU 9 2HB LEU 9 5.882 2.016 -7.628
47 HG LEU 9 HG LEU 9 8.384 2.790 -6.052
48 HD11 LEU 9 1HD1 LEU 9 8.074 1.205 -8.633
49 HD12 LEU 9 2HD1 LEU 9 8.534 0.545 -7.050
50 HD13 LEU 9 3HD1 LEU 9 9.608 1.686 -7.871
51 HD21 LEU 9 3HD2 LEU 9 7.578 4.698 -7.369
52 HD22 LEU 9 1HD2 LEU 9 7.416 3.665 -8.809
53 HD23 LEU 9 2HD2 LEU 9 9.019 4.012 -8.120
54 H TYR 10 H TYR 10 4.169 1.929 -4.180
55 HA TYR 10 HA TYR 10 1.645 1.953 -5.800
56 HB2 TYR 10 1HB TYR 10 2.681 -0.180 -3.897
57 HB3 TYR 10 2HB TYR 10 1.182 -0.241 -4.792
58 HD1 TYR 10 1HD TYR 10 4.880 -0.357 -5.090
59 HD2 TYR 10 2HD TYR 10 1.128 -0.729 -7.185
60 HE1 TYR 10 1HE TYR 10 6.081 -1.251 -7.091
61 HE2 TYR 10 2HE TYR 10 2.316 -1.658 -9.159
62 HH TYR 10 HH TYR 10 4.347 -2.218 -10.074
63 H ASP 11 H ASP 11 -0.292 2.416 -4.789
64 HA ASP 11 HA ASP 11 -0.121 3.369 -1.967
65 HB2 ASP 11 1HB ASP 11 -1.328 5.314 -2.540
66 HB3 ASP 11 2HB ASP 11 0.048 5.186 -3.627
67 H CYS 12 H CYS 12 -1.776 3.226 -0.637
68 HA CYS 12 HA CYS 12 -4.014 1.403 -1.158
69 HB2 CYS 12 1HB CYS 12 -2.815 1.329 0.945
70 HB3 CYS 12 2HB CYS 12 -3.110 3.058 1.221
71 H HIS 13 H HIS 13 -6.036 1.985 -1.656
72 HA HIS 13 HA HIS 13 -6.725 4.852 -1.954
73 HB2 HIS 13 1HB HIS 13 -8.558 4.104 -3.345
74 HB3 HIS 13 2HB HIS 13 -7.012 3.495 -3.908
75 HD1 HIS 13 1HD HIS 13 -6.868 0.893 -4.251
76 HD2 HIS 13 2HD HIS 13 -10.231 2.237 -2.108
77 HE1 HIS 13 1HE HIS 13 -8.409 -1.124 -3.998
78 H ILE 14 H ILE 14 -6.925 2.796 0.581
79 HA ILE 14 HA ILE 14 -9.612 3.745 1.507
80 HB ILE 14 HB ILE 14 -7.829 1.694 2.790
81 HG12 ILE 14 1HG1 ILE 14 -8.465 0.838 0.587
82 HG13 ILE 14 2HG1 ILE 14 -9.199 -0.059 1.895
83 HG21 ILE 14 1HG2 ILE 14 -10.726 2.489 3.258
84 HG22 ILE 14 2HG2 ILE 14 -9.982 1.024 3.927
85 HG23 ILE 14 3HG2 ILE 14 -9.367 2.607 4.393
86 HD11 ILE 14 3HD1 ILE 14 -10.643 2.026 0.240
87 HD12 ILE 14 1HD1 ILE 14 -10.721 0.260 0.024
88 HD13 ILE 14 2HD1 ILE 14 -11.353 0.990 1.509
89 H CYS 15 H CYS 15 -6.168 3.668 2.439
90 HA CYS 15 HA CYS 15 -6.655 5.769 4.488
91 HB2 CYS 15 1HB CYS 15 -5.432 4.643 6.115
92 HB3 CYS 15 2HB CYS 15 -6.703 3.572 5.522
93 H GLU 16 H GLU 16 -5.080 5.266 1.759
94 HA GLU 16 HA GLU 16 -3.525 6.417 0.645
95 HB2 GLU 16 1HB GLU 16 -4.842 8.173 2.175
96 HB3 GLU 16 2HB GLU 16 -3.218 8.469 2.791
97 HG2 GLU 16 1HG GLU 16 -2.453 8.854 0.410
98 HG3 GLU 16 2HG GLU 16 -4.103 8.549 -0.133
99 H ARG 17 H ARG 17 -2.541 4.553 2.956
100 HA ARG 17 HA ARG 17 0.273 5.236 3.266
101 HB2 ARG 17 1HB ARG 17 -1.490 2.860 3.792
102 HB3 ARG 17 2HB ARG 17 0.215 2.506 3.519
103 HG2 ARG 17 1HG ARG 17 0.950 3.916 5.283
104 HG3 ARG 17 2HG ARG 17 -0.653 4.631 5.513
105 HD2 ARG 17 1HD ARG 17 -0.213 1.641 5.836
106 HD3 ARG 17 2HD ARG 17 0.174 2.771 7.129
107 HE ARG 17 HE ARG 17 -2.541 2.912 5.881
108 HH11 ARG 17 2HH2 ARG 17 -0.768 2.123 8.813
109 HH12 ARG 17 1HH2 ARG 17 -2.225 2.156 9.771
110 HH21 ARG 17 1HH1 ARG 17 -4.252 2.895 7.065
111 HH22 ARG 17 2HH1 ARG 17 -4.193 2.603 8.801
112 H LYS 18 H LYS 18 2.059 4.119 2.372
113 HA LYS 18 HA LYS 18 1.694 3.257 -0.451
114 HB2 LYS 18 1HB LYS 18 3.580 5.466 0.439
115 HB3 LYS 18 2HB LYS 18 3.523 4.724 -1.172
116 HG2 LYS 18 1HG LYS 18 1.189 5.476 -1.453
117 HG3 LYS 18 2HG LYS 18 1.266 6.320 0.099
118 HD2 LYS 18 1HD LYS 18 3.102 6.885 -2.270
119 HD3 LYS 18 2HD LYS 18 1.624 7.787 -1.895
120 HE2 LYS 18 1HE LYS 18 2.570 8.386 0.338
121 HE3 LYS 18 2HE LYS 18 4.070 7.548 -0.082
122 HZ1 LYS 18 3HZ LYS 18 4.236 9.928 -0.522
123 HZ2 LYS 18 1HZ LYS 18 2.961 9.893 -1.535
124 HZ3 LYS 18 2HZ LYS 18 4.343 9.119 -1.934
125 H PHE 19 H PHE 19 3.290 2.056 -1.384
126 HA PHE 19 HA PHE 19 5.205 0.680 0.464
127 HB2 PHE 19 1HB PHE 19 3.213 -0.577 -1.440
128 HB3 PHE 19 2HB PHE 19 4.318 -1.440 -0.399
129 HD1 PHE 19 1HD PHE 19 4.022 -1.499 2.073
130 HD2 PHE 19 2HD PHE 19 1.161 0.436 -0.505
131 HE1 PHE 19 1HE PHE 19 2.426 -1.336 3.969
132 HE2 PHE 19 2HE PHE 19 -0.423 0.638 1.409
133 HZ PHE 19 HZ PHE 19 0.220 -0.245 3.649
134 H LYS 20 H LYS 20 6.779 -0.668 -0.537
135 HA LYS 20 HA LYS 20 8.022 0.541 -2.858
136 HB2 LYS 20 1HB LYS 20 8.748 -1.976 -1.286
137 HB3 LYS 20 2HB LYS 20 9.761 -1.200 -2.507
138 HG2 LYS 20 1HG LYS 20 9.846 0.869 -1.112
139 HG3 LYS 20 2HG LYS 20 8.849 0.063 0.111
140 HD2 LYS 20 1HD LYS 20 11.123 -0.011 0.837
141 HD3 LYS 20 2HD LYS 20 10.617 -1.656 0.419
142 HE2 LYS 20 1HE LYS 20 11.781 -1.457 -1.767
143 HE3 LYS 20 2HE LYS 20 12.227 0.212 -1.385
144 HZ1 LYS 20 3HZ LYS 20 14.042 -1.334 -0.897
145 HZ2 LYS 20 1HZ LYS 20 13.116 -2.177 0.149
146 HZ3 LYS 20 2HZ LYS 20 13.536 -0.633 0.486
147 H ASN 21 H ASN 21 6.223 -2.442 -2.368
148 HA ASN 21 HA ASN 21 6.399 -3.036 -5.297
149 HB2 ASN 21 1HB ASN 21 6.130 -5.084 -3.066
150 HB3 ASN 21 2HB ASN 21 6.305 -5.407 -4.784
151 HD21 ASN 21 1HD2 ASN 21 7.933 -4.723 -1.831
152 HD22 ASN 21 2HD2 ASN 21 9.560 -4.924 -2.484
153 H GLU 22 H GLU 22 4.622 -4.099 -6.221
154 HA GLU 22 HA GLU 22 2.014 -3.176 -5.501
155 HB2 GLU 22 1HB GLU 22 2.913 -3.998 -7.787
156 HB3 GLU 22 2HB GLU 22 2.650 -5.630 -7.189
157 HG2 GLU 22 1HG GLU 22 0.245 -5.120 -6.862
158 HG3 GLU 22 2HG GLU 22 0.515 -3.453 -7.369
159 H LEU 23 H LEU 23 3.745 -6.205 -4.880
160 HA LEU 23 HA LEU 23 1.704 -7.718 -3.636
161 HB2 LEU 23 1HB LEU 23 3.741 -8.728 -4.382
162 HB3 LEU 23 2HB LEU 23 4.730 -7.670 -3.370
163 HG LEU 23 HG LEU 23 3.836 -8.764 -1.327
164 HD11 LEU 23 1HD1 LEU 23 2.445 -10.648 -3.281
165 HD12 LEU 23 2HD1 LEU 23 1.649 -9.553 -2.125
166 HD13 LEU 23 3HD1 LEU 23 2.611 -10.907 -1.528
167 HD21 LEU 23 3HD2 LEU 23 5.007 -10.684 -3.377
168 HD22 LEU 23 1HD2 LEU 23 5.050 -10.874 -1.608
169 HD23 LEU 23 2HD2 LEU 23 5.922 -9.535 -2.372
170 H ASP 24 H ASP 24 4.188 -5.597 -2.047
171 HA ASP 24 HA ASP 24 3.310 -6.041 0.606
172 HB2 ASP 24 1HB ASP 24 4.655 -3.640 -0.676
173 HB3 ASP 24 2HB ASP 24 4.406 -3.798 1.065
174 H ARG 25 H ARG 25 2.157 -3.688 -1.772
175 HA ARG 25 HA ARG 25 0.288 -2.359 0.047
176 HB2 ARG 25 1HB ARG 25 1.355 -1.349 -2.000
177 HB3 ARG 25 2HB ARG 25 0.391 -2.365 -3.001
178 HG2 ARG 25 1HG ARG 25 -0.809 -0.406 -0.956
179 HG3 ARG 25 2HG ARG 25 -0.349 0.079 -2.589
180 HD2 ARG 25 1HD ARG 25 -2.517 -1.853 -1.769
181 HD3 ARG 25 2HD ARG 25 -2.695 -0.294 -2.546
182 HE ARG 25 HE ARG 25 -1.383 -2.679 -3.764
183 HH11 ARG 25 2HH1 ARG 25 -2.882 0.420 -4.425
184 HH12 ARG 25 1HH1 ARG 25 -3.263 -0.029 -6.070
185 HH21 ARG 25 2HH2 ARG 25 -2.178 -3.290 -5.683
186 HH22 ARG 25 1HH2 ARG 25 -2.767 -2.086 -6.827
187 H ASP 26 H ASP 26 -0.026 -4.883 -2.472
188 HA ASP 26 HA ASP 26 -2.834 -5.166 -2.303
189 HB2 ASP 26 1HB ASP 26 -0.586 -6.984 -3.220
190 HB3 ASP 26 2HB ASP 26 -2.233 -7.572 -3.135
191 H ARG 27 H ARG 27 -0.274 -6.849 -0.391
192 HA ARG 27 HA ARG 27 -2.230 -8.344 1.170
193 HB2 ARG 27 1HB ARG 27 -0.522 -9.057 2.577
194 HB3 ARG 27 2HB ARG 27 -0.073 -9.256 0.885
195 HG2 ARG 27 1HG ARG 27 1.445 -7.396 0.978
196 HG3 ARG 27 2HG ARG 27 0.899 -6.899 2.568
197 HD2 ARG 27 1HD ARG 27 2.039 -9.641 1.968
198 HD3 ARG 27 2HD ARG 27 3.090 -8.264 2.385
199 HE ARG 27 HE ARG 27 1.122 -8.441 4.404
200 HH11 ARG 27 2HH1 ARG 27 3.816 -10.402 3.320
201 HH12 ARG 27 1HH1 ARG 27 4.054 -11.110 4.897
202 HH21 ARG 27 2HH2 ARG 27 1.477 -9.386 6.386
203 HH22 ARG 27 1HH2 ARG 27 2.762 -10.541 6.581
204 H HIS 28 H HIS 28 -0.939 -5.088 1.530
205 HA HIS 28 HA HIS 28 -2.000 -4.700 4.217
206 HB2 HIS 28 1HB HIS 28 -0.295 -3.221 3.552
207 HB3 HIS 28 2HB HIS 28 -1.035 -2.874 2.000
208 HD1 HIS 28 1HD HIS 28 -1.517 -1.992 5.707
209 HD2 HIS 28 2HD HIS 28 -2.928 -1.041 1.861
210 HE1 HIS 28 1HE HIS 28 -3.010 0.034 6.003
211 H MET 29 H MET 29 -3.483 -4.288 0.915
212 HA MET 29 HA MET 29 -5.842 -3.074 1.806
213 HB2 MET 29 1HB MET 29 -5.715 -5.175 -0.391
214 HB3 MET 29 2HB MET 29 -6.931 -3.920 -0.182
215 HG2 MET 29 1HG MET 29 -4.057 -3.610 -1.015
216 HG3 MET 29 2HG MET 29 -5.490 -3.222 -1.938
217 HE1 MET 29 3HE MET 29 -6.897 -1.144 -1.731
218 HE2 MET 29 1HE MET 29 -7.316 -1.432 -0.028
219 HE3 MET 29 2HE MET 29 -6.679 0.152 -0.536
220 H LEU 30 H LEU 30 -4.903 -6.386 2.353
221 HA LEU 30 HA LEU 30 -7.424 -7.576 2.934
222 HB2 LEU 30 1HB LEU 30 -4.735 -8.107 4.255
223 HB3 LEU 30 2HB LEU 30 -6.110 -9.191 4.233
224 HG LEU 30 HG LEU 30 -4.504 -8.357 1.775
225 HD11 LEU 30 1HD1 LEU 30 -3.243 -9.813 3.319
226 HD12 LEU 30 2HD1 LEU 30 -3.649 -10.653 1.815
227 HD13 LEU 30 3HD1 LEU 30 -4.573 -10.991 3.299
228 HD21 LEU 30 3HD2 LEU 30 -5.707 -10.181 0.633
229 HD22 LEU 30 1HD2 LEU 30 -6.811 -8.900 1.150
230 HD23 LEU 30 2HD2 LEU 30 -6.723 -10.419 2.078
231 H VAL 31 H VAL 31 -5.476 -5.323 4.885
232 HA VAL 31 HA VAL 31 -6.768 -5.927 7.396
233 HB VAL 31 HB VAL 31 -5.670 -4.148 8.350
234 HG11 VAL 31 1HG1 VAL 31 -4.145 -5.910 7.570
235 HG12 VAL 31 2HG1 VAL 31 -3.782 -4.941 6.127
236 HG13 VAL 31 3HG1 VAL 31 -3.370 -4.325 7.733
237 HG21 VAL 31 3HG2 VAL 31 -6.255 -2.221 7.155
238 HG22 VAL 31 1HG2 VAL 31 -4.496 -2.312 7.073
239 HG23 VAL 31 2HG2 VAL 31 -5.479 -2.776 5.669
240 H HIS 32 H HIS 32 -7.732 -4.022 4.696
241 HA HIS 32 HA HIS 32 -9.819 -2.528 6.141
242 HB2 HIS 32 1HB HIS 32 -9.101 -2.606 3.189
243 HB3 HIS 32 2HB HIS 32 -10.191 -1.464 3.971
244 HD1 HIS 32 1HD HIS 32 -8.578 -0.403 6.367
245 HD2 HIS 32 2HD HIS 32 -6.973 -1.251 2.574
246 HE1 HIS 32 1HE HIS 32 -6.459 0.971 6.207
247 H GLY 33 H GLY 33 -9.618 -5.608 4.705
248 HA2 GLY 33 1HA GLY 33 -11.217 -7.259 4.476
249 HA3 GLY 33 2HA GLY 33 -12.398 -6.176 5.209
250 H ASP 34 H ASP 34 -14.029 -5.645 3.939
251 HA ASP 34 HA ASP 34 -15.472 -5.393 2.272
252 HB2 ASP 34 1HB ASP 34 -13.933 -3.519 1.783
253 HB3 ASP 34 2HB ASP 34 -13.107 -4.526 0.594
254 H LYS 35 H LYS 35 -12.840 -7.513 1.352
255 HA LYS 35 HA LYS 35 -14.206 -8.866 -0.808
256 HB2 LYS 35 1HB LYS 35 -12.420 -10.499 -0.630
257 HB3 LYS 35 2HB LYS 35 -11.763 -8.865 -0.570
258 HG2 LYS 35 1HG LYS 35 -11.480 -9.010 1.869
259 HG3 LYS 35 2HG LYS 35 -12.251 -10.595 1.904
260 HD2 LYS 35 1HD LYS 35 -9.676 -10.012 0.390
261 HD3 LYS 35 2HD LYS 35 -9.741 -10.608 2.057
262 HE2 LYS 35 1HE LYS 35 -11.033 -12.594 1.314
263 HE3 LYS 35 2HE LYS 35 -10.944 -12.033 -0.359
264 HZ1 LYS 35 3HZ LYS 35 -9.216 -13.662 0.113
265 HZ2 LYS 35 1HZ LYS 35 -8.603 -12.752 1.322
266 HZ3 LYS 35 2HZ LYS 35 -8.518 -12.227 -0.227
267 H TRP 36 H TRP 36 -14.765 -9.026 2.536
268 HA TRP 36 HA TRP 36 -15.487 -11.852 2.666
269 HB2 TRP 36 1HB TRP 36 -15.707 -9.726 4.798
270 HB3 TRP 36 2HB TRP 36 -15.783 -11.467 5.022
271 HD1 TRP 36 1HD TRP 36 -13.510 -8.764 5.468
272 HE1 TRP 36 1HE TRP 36 -11.040 -9.492 5.577
273 HE3 TRP 36 3HE TRP 36 -13.973 -13.473 3.511
274 HZ2 TRP 36 2HZ TRP 36 -9.475 -11.797 4.851
275 HZ3 TRP 36 3HZ TRP 36 -11.971 -14.911 3.218
276 HH2 TRP 36 2HH TRP 36 -9.722 -14.091 3.891
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 15.134 19.055 -9.762
2 H2 GLY 1 2H GLY 1 13.989 20.066 -10.355
3 H3 GLY 1 3H GLY 1 13.547 18.675 -9.612
4 HA2 GLY 1 1HA GLY 1 14.891 20.950 -8.303
5 HA3 GLY 1 2HA GLY 1 13.167 20.563 -8.160
6 H SER 2 H SER 2 15.626 20.591 -6.254
7 HA SER 2 HA SER 2 16.273 17.974 -5.470
8 HB2 SER 2 1HB SER 2 16.302 20.483 -3.755
9 HB3 SER 2 2HB SER 2 17.256 19.008 -3.501
10 HG SER 2 HG SER 2 18.464 20.640 -4.579
11 H SER 3 H SER 3 13.337 19.658 -4.714
12 HA SER 3 HA SER 3 12.692 18.312 -2.248
13 HB2 SER 3 1HB SER 3 10.840 19.671 -4.238
14 HB3 SER 3 2HB SER 3 10.490 19.301 -2.538
15 HG SER 3 HG SER 3 11.154 21.481 -2.826
16 H GLY 4 H GLY 4 12.746 17.034 -5.408
17 HA2 GLY 4 1HA GLY 4 10.419 15.354 -5.409
18 HA3 GLY 4 2HA GLY 4 11.866 15.135 -6.385
19 H SER 5 H SER 5 10.339 13.031 -5.307
20 HA SER 5 HA SER 5 12.320 11.621 -3.605
21 HB2 SER 5 1HB SER 5 10.565 10.801 -2.108
22 HB3 SER 5 2HB SER 5 10.701 12.565 -2.041
23 HG SER 5 HG SER 5 8.516 11.892 -2.165
24 H SER 6 H SER 6 11.916 9.285 -3.457
25 HA SER 6 HA SER 6 10.340 7.993 -5.576
26 HB2 SER 6 1HB SER 6 12.524 8.789 -6.626
27 HB3 SER 6 2HB SER 6 13.363 7.652 -5.555
28 HG SER 6 HG SER 6 12.845 6.793 -7.662
29 H GLY 7 H GLY 7 11.124 5.530 -5.571
30 HA2 GLY 7 1HA GLY 7 11.670 3.569 -4.420
31 HA3 GLY 7 2HA GLY 7 11.808 4.472 -2.906
32 H LEU 8 H LEU 8 8.900 5.464 -3.855
33 HA LEU 8 HA LEU 8 7.386 3.059 -2.919
34 HB2 LEU 8 1HB LEU 8 6.862 5.976 -2.256
35 HB3 LEU 8 2HB LEU 8 5.787 4.637 -1.856
36 HG LEU 8 HG LEU 8 8.653 4.897 -0.824
37 HD11 LEU 8 1HD1 LEU 8 7.644 5.537 1.300
38 HD12 LEU 8 2HD1 LEU 8 6.020 5.488 0.574
39 HD13 LEU 8 3HD1 LEU 8 7.216 6.691 0.028
40 HD21 LEU 8 3HD2 LEU 8 7.953 3.177 0.811
41 HD22 LEU 8 1HD2 LEU 8 7.853 2.554 -0.839
42 HD23 LEU 8 2HD2 LEU 8 6.373 3.055 0.013
43 H LEU 9 H LEU 9 6.033 2.332 -4.297
44 HA LEU 9 HA LEU 9 5.343 3.944 -6.742
45 HB2 LEU 9 1HB LEU 9 6.083 1.023 -6.350
46 HB3 LEU 9 2HB LEU 9 5.480 1.681 -7.861
47 HG LEU 9 HG LEU 9 8.075 2.503 -6.470
48 HD11 LEU 9 1HD1 LEU 9 8.130 0.220 -7.394
49 HD12 LEU 9 2HD1 LEU 9 9.172 1.314 -8.317
50 HD13 LEU 9 3HD1 LEU 9 7.588 0.836 -8.972
51 HD21 LEU 9 3HD2 LEU 9 7.228 4.380 -7.802
52 HD22 LEU 9 1HD2 LEU 9 6.950 3.302 -9.191
53 HD23 LEU 9 2HD2 LEU 9 8.602 3.639 -8.623
54 H TYR 10 H TYR 10 3.997 1.825 -4.306
55 HA TYR 10 HA TYR 10 1.369 1.769 -5.754
56 HB2 TYR 10 1HB TYR 10 2.546 -0.305 -3.872
57 HB3 TYR 10 2HB TYR 10 0.983 -0.388 -4.644
58 HD1 TYR 10 1HD TYR 10 4.638 -0.553 -5.216
59 HD2 TYR 10 2HD TYR 10 0.740 -0.901 -7.030
60 HE1 TYR 10 1HE TYR 10 5.685 -1.473 -7.284
61 HE2 TYR 10 2HE TYR 10 1.782 -1.858 -9.080
62 HH TYR 10 HH TYR 10 5.329 -2.291 -9.397
63 H ASP 11 H ASP 11 -0.483 2.287 -4.660
64 HA ASP 11 HA ASP 11 -0.174 3.275 -1.862
65 HB2 ASP 11 1HB ASP 11 -1.347 5.249 -2.396
66 HB3 ASP 11 2HB ASP 11 -0.031 5.084 -3.548
67 H CYS 12 H CYS 12 -1.817 3.229 -0.495
68 HA CYS 12 HA CYS 12 -4.147 1.484 -0.981
69 HB2 CYS 12 1HB CYS 12 -2.861 1.269 1.080
70 HB3 CYS 12 2HB CYS 12 -3.078 2.996 1.430
71 H HIS 13 H HIS 13 -6.058 2.295 -1.657
72 HA HIS 13 HA HIS 13 -6.485 5.204 -1.777
73 HB2 HIS 13 1HB HIS 13 -8.322 4.763 -3.191
74 HB3 HIS 13 2HB HIS 13 -6.987 3.747 -3.708
75 HD1 HIS 13 1HD HIS 13 -10.387 3.447 -1.886
76 HD2 HIS 13 2HD HIS 13 -7.444 1.138 -3.809
77 HE1 HIS 13 1HE HIS 13 -11.370 1.102 -2.151
78 H ILE 14 H ILE 14 -6.894 3.072 0.689
79 HA ILE 14 HA ILE 14 -9.509 4.153 1.635
80 HB ILE 14 HB ILE 14 -7.912 1.797 2.700
81 HG12 ILE 14 1HG1 ILE 14 -10.022 0.583 1.680
82 HG13 ILE 14 2HG1 ILE 14 -10.050 1.940 0.558
83 HG21 ILE 14 1HG2 ILE 14 -10.034 1.208 3.810
84 HG22 ILE 14 2HG2 ILE 14 -9.436 2.766 4.367
85 HG23 ILE 14 3HG2 ILE 14 -10.775 2.700 3.194
86 HD11 ILE 14 3HD1 ILE 14 -8.884 -0.082 -0.275
87 HD12 ILE 14 1HD1 ILE 14 -7.774 1.294 -0.205
88 HD13 ILE 14 2HD1 ILE 14 -7.716 0.035 1.048
89 H CYS 15 H CYS 15 -6.140 3.728 2.678
90 HA CYS 15 HA CYS 15 -6.541 5.836 4.751
91 HB2 CYS 15 1HB CYS 15 -5.322 4.663 6.353
92 HB3 CYS 15 2HB CYS 15 -6.621 3.625 5.762
93 H GLU 16 H GLU 16 -5.023 5.384 2.002
94 HA GLU 16 HA GLU 16 -3.487 6.561 0.892
95 HB2 GLU 16 1HB GLU 16 -4.738 8.279 2.542
96 HB3 GLU 16 2HB GLU 16 -3.078 8.556 3.067
97 HG2 GLU 16 1HG GLU 16 -2.455 8.963 0.646
98 HG3 GLU 16 2HG GLU 16 -4.142 8.689 0.206
99 H ARG 17 H ARG 17 -2.464 4.597 3.081
100 HA ARG 17 HA ARG 17 0.372 5.257 3.326
101 HB2 ARG 17 1HB ARG 17 -1.389 2.874 3.869
102 HB3 ARG 17 2HB ARG 17 0.323 2.549 3.594
103 HG2 ARG 17 1HG ARG 17 1.032 3.982 5.354
104 HG3 ARG 17 2HG ARG 17 -0.586 4.662 5.587
105 HD2 ARG 17 1HD ARG 17 -0.097 1.681 5.909
106 HD3 ARG 17 2HD ARG 17 0.310 2.816 7.193
107 HE ARG 17 HE ARG 17 -2.437 2.933 6.010
108 HH11 ARG 17 2HH1 ARG 17 -0.583 2.149 8.894
109 HH12 ARG 17 1HH1 ARG 17 -2.016 2.165 9.888
110 HH21 ARG 17 2HH2 ARG 17 -4.120 2.893 7.239
111 HH22 ARG 17 1HH2 ARG 17 -4.012 2.592 8.970
112 H LYS 18 H LYS 18 2.103 4.116 2.378
113 HA LYS 18 HA LYS 18 1.666 3.261 -0.437
114 HB2 LYS 18 1HB LYS 18 3.603 5.452 0.382
115 HB3 LYS 18 2HB LYS 18 3.461 4.717 -1.224
116 HG2 LYS 18 1HG LYS 18 1.101 5.496 -1.362
117 HG3 LYS 18 2HG LYS 18 1.316 6.372 0.159
118 HD2 LYS 18 1HD LYS 18 2.942 6.840 -2.380
119 HD3 LYS 18 2HD LYS 18 1.552 7.804 -1.860
120 HE2 LYS 18 1HE LYS 18 2.757 8.382 0.252
121 HE3 LYS 18 2HE LYS 18 4.169 7.484 -0.321
122 HZ1 LYS 18 3HZ LYS 18 4.293 9.029 -2.213
123 HZ2 LYS 18 1HZ LYS 18 4.375 9.853 -0.806
124 HZ3 LYS 18 2HZ LYS 18 2.993 9.858 -1.671
125 H PHE 19 H PHE 19 3.243 2.046 -1.393
126 HA PHE 19 HA PHE 19 5.222 0.722 0.420
127 HB2 PHE 19 1HB PHE 19 3.189 -0.600 -1.397
128 HB3 PHE 19 2HB PHE 19 4.328 -1.432 -0.368
129 HD1 PHE 19 1HD PHE 19 4.070 -1.487 2.104
130 HD2 PHE 19 2HD PHE 19 1.170 0.452 -0.421
131 HE1 PHE 19 1HE PHE 19 2.506 -1.326 4.026
132 HE2 PHE 19 2HE PHE 19 -0.383 0.657 1.520
133 HZ PHE 19 HZ PHE 19 0.293 -0.233 3.748
134 H LYS 20 H LYS 20 6.738 -0.665 -0.601
135 HA LYS 20 HA LYS 20 7.963 0.524 -2.933
136 HB2 LYS 20 1HB LYS 20 8.694 -2.054 -1.464
137 HB3 LYS 20 2HB LYS 20 9.713 -1.165 -2.597
138 HG2 LYS 20 1HG LYS 20 9.662 0.799 -1.006
139 HG3 LYS 20 2HG LYS 20 8.785 -0.226 0.149
140 HD2 LYS 20 1HD LYS 20 10.672 -1.828 0.174
141 HD3 LYS 20 2HD LYS 20 11.553 -0.812 -0.991
142 HE2 LYS 20 1HE LYS 20 11.505 1.076 0.623
143 HE3 LYS 20 2HE LYS 20 10.637 0.066 1.786
144 HZ1 LYS 20 3HZ LYS 20 13.373 -0.487 0.762
145 HZ2 LYS 20 1HZ LYS 20 12.571 -1.421 1.838
146 HZ3 LYS 20 2HZ LYS 20 13.022 0.092 2.246
147 H ASN 21 H ASN 21 6.203 -2.472 -2.392
148 HA ASN 21 HA ASN 21 6.298 -3.107 -5.317
149 HB2 ASN 21 1HB ASN 21 6.108 -5.116 -3.044
150 HB3 ASN 21 2HB ASN 21 6.292 -5.464 -4.756
151 HD21 ASN 21 1HD2 ASN 21 7.902 -4.948 -1.820
152 HD22 ASN 21 2HD2 ASN 21 9.537 -4.962 -2.480
153 H GLU 22 H GLU 22 4.505 -4.284 -6.145
154 HA GLU 22 HA GLU 22 1.912 -3.328 -5.373
155 HB2 GLU 22 1HB GLU 22 2.694 -4.195 -7.666
156 HB3 GLU 22 2HB GLU 22 2.533 -5.822 -7.016
157 HG2 GLU 22 1HG GLU 22 0.128 -5.411 -6.577
158 HG3 GLU 22 2HG GLU 22 0.296 -3.745 -7.131
159 H LEU 23 H LEU 23 3.644 -6.365 -4.758
160 HA LEU 23 HA LEU 23 1.669 -7.816 -3.360
161 HB2 LEU 23 1HB LEU 23 3.671 -8.867 -4.124
162 HB3 LEU 23 2HB LEU 23 4.702 -7.752 -3.219
163 HG LEU 23 HG LEU 23 3.940 -8.733 -1.084
164 HD11 LEU 23 1HD1 LEU 23 1.694 -9.539 -1.688
165 HD12 LEU 23 2HD1 LEU 23 2.682 -10.866 -1.077
166 HD13 LEU 23 3HD1 LEU 23 2.402 -10.706 -2.828
167 HD21 LEU 23 3HD2 LEU 23 5.104 -10.873 -1.316
168 HD22 LEU 23 1HD2 LEU 23 5.942 -9.595 -2.213
169 HD23 LEU 23 2HD2 LEU 23 4.949 -10.786 -3.086
170 H ASP 24 H ASP 24 4.173 -5.588 -1.974
171 HA ASP 24 HA ASP 24 3.372 -5.972 0.720
172 HB2 ASP 24 1HB ASP 24 4.859 -3.717 -0.653
173 HB3 ASP 24 2HB ASP 24 4.593 -3.769 1.094
174 H ARG 25 H ARG 25 2.097 -3.772 -1.686
175 HA ARG 25 HA ARG 25 0.345 -2.340 0.202
176 HB2 ARG 25 1HB ARG 25 1.318 -1.373 -1.921
177 HB3 ARG 25 2HB ARG 25 0.308 -2.410 -2.848
178 HG2 ARG 25 1HG ARG 25 -0.792 -0.402 -0.794
179 HG3 ARG 25 2HG ARG 25 -0.424 0.034 -2.461
180 HD2 ARG 25 1HD ARG 25 -2.537 -1.865 -1.454
181 HD3 ARG 25 2HD ARG 25 -2.762 -0.341 -2.273
182 HE ARG 25 HE ARG 25 -1.499 -2.745 -3.499
183 HH11 ARG 25 2HH1 ARG 25 -3.114 0.300 -4.137
184 HH12 ARG 25 1HH1 ARG 25 -3.620 -0.210 -5.730
185 HH21 ARG 25 2HH2 ARG 25 -2.410 -3.426 -5.347
186 HH22 ARG 25 1HH2 ARG 25 -3.125 -2.272 -6.468
187 H ASP 26 H ASP 26 -0.030 -4.947 -2.213
188 HA ASP 26 HA ASP 26 -2.838 -5.227 -1.933
189 HB2 ASP 26 1HB ASP 26 -0.609 -7.043 -2.911
190 HB3 ASP 26 2HB ASP 26 -2.240 -7.654 -2.738
191 H ARG 27 H ARG 27 -0.183 -6.872 -0.129
192 HA ARG 27 HA ARG 27 -1.993 -8.411 1.533
193 HB2 ARG 27 1HB ARG 27 -0.130 -8.978 2.888
194 HB3 ARG 27 2HB ARG 27 0.288 -9.130 1.180
195 HG2 ARG 27 1HG ARG 27 1.523 -7.021 1.262
196 HG3 ARG 27 2HG ARG 27 1.028 -6.720 2.901
197 HD2 ARG 27 1HD ARG 27 2.244 -8.834 3.595
198 HD3 ARG 27 2HD ARG 27 2.757 -9.038 1.921
199 HE ARG 27 HE ARG 27 4.337 -7.321 2.158
200 HH11 ARG 27 2HH1 ARG 27 2.411 -7.340 5.104
201 HH12 ARG 27 1HH1 ARG 27 3.501 -6.233 5.891
202 HH21 ARG 27 2HH2 ARG 27 5.572 -5.957 3.134
203 HH22 ARG 27 1HH2 ARG 27 5.301 -5.464 4.806
204 H HIS 28 H HIS 28 -0.963 -5.086 1.747
205 HA HIS 28 HA HIS 28 -2.065 -4.699 4.460
206 HB2 HIS 28 1HB HIS 28 -0.308 -3.235 3.853
207 HB3 HIS 28 2HB HIS 28 -0.989 -2.881 2.277
208 HD1 HIS 28 1HD HIS 28 -1.524 -1.955 5.954
209 HD2 HIS 28 2HD HIS 28 -2.946 -1.091 2.091
210 HE1 HIS 28 1HE HIS 28 -3.046 0.053 6.214
211 H MET 29 H MET 29 -3.377 -4.418 1.078
212 HA MET 29 HA MET 29 -5.804 -3.178 1.901
213 HB2 MET 29 1HB MET 29 -5.451 -5.125 -0.400
214 HB3 MET 29 2HB MET 29 -6.796 -4.020 -0.140
215 HG2 MET 29 1HG MET 29 -4.969 -2.144 -0.123
216 HG3 MET 29 2HG MET 29 -3.953 -3.383 -0.860
217 HE1 MET 29 3HE MET 29 -7.605 -1.309 -2.757
218 HE2 MET 29 1HE MET 29 -7.712 -2.165 -1.210
219 HE3 MET 29 2HE MET 29 -6.689 -0.722 -1.352
220 H LEU 30 H LEU 30 -4.785 -6.450 2.441
221 HA LEU 30 HA LEU 30 -7.264 -7.750 2.958
222 HB2 LEU 30 1HB LEU 30 -4.620 -8.080 4.431
223 HB3 LEU 30 2HB LEU 30 -5.933 -9.237 4.378
224 HG LEU 30 HG LEU 30 -4.188 -8.411 2.021
225 HD11 LEU 30 1HD1 LEU 30 -3.048 -9.828 3.698
226 HD12 LEU 30 2HD1 LEU 30 -3.300 -10.693 2.173
227 HD13 LEU 30 3HD1 LEU 30 -4.350 -11.029 3.570
228 HD21 LEU 30 3HD2 LEU 30 -6.414 -9.007 1.198
229 HD22 LEU 30 1HD2 LEU 30 -6.383 -10.514 2.147
230 HD23 LEU 30 2HD2 LEU 30 -5.241 -10.269 0.801
231 H VAL 31 H VAL 31 -5.590 -5.288 4.868
232 HA VAL 31 HA VAL 31 -7.079 -5.823 7.315
233 HB VAL 31 HB VAL 31 -6.081 -4.018 8.276
234 HG11 VAL 31 1HG1 VAL 31 -3.966 -4.873 6.302
235 HG12 VAL 31 2HG1 VAL 31 -3.733 -4.188 7.916
236 HG13 VAL 31 3HG1 VAL 31 -4.477 -5.787 7.738
237 HG21 VAL 31 3HG2 VAL 31 -4.792 -2.220 7.050
238 HG22 VAL 31 1HG2 VAL 31 -5.674 -2.726 5.594
239 HG23 VAL 31 2HG2 VAL 31 -6.553 -2.138 7.006
240 H HIS 32 H HIS 32 -7.808 -4.176 4.419
241 HA HIS 32 HA HIS 32 -10.102 -2.669 5.583
242 HB2 HIS 32 1HB HIS 32 -8.874 -2.508 2.807
243 HB3 HIS 32 2HB HIS 32 -10.110 -1.450 3.478
244 HD1 HIS 32 1HD HIS 32 -8.971 -0.372 6.081
245 HD2 HIS 32 2HD HIS 32 -6.638 -1.252 2.698
246 HE1 HIS 32 1HE HIS 32 -6.862 1.014 6.321
247 H GLY 33 H GLY 33 -9.396 -4.956 2.887
248 HA2 GLY 33 1HA GLY 33 -12.268 -5.319 2.297
249 HA3 GLY 33 2HA GLY 33 -10.902 -5.982 1.411
250 H ASP 34 H ASP 34 -13.473 -6.834 3.302
251 HA ASP 34 HA ASP 34 -12.266 -9.044 4.785
252 HB2 ASP 34 1HB ASP 34 -14.497 -9.440 5.587
253 HB3 ASP 34 2HB ASP 34 -14.115 -7.725 5.702
254 H LYS 35 H LYS 35 -14.196 -8.706 1.861
255 HA LYS 35 HA LYS 35 -13.363 -11.406 0.922
256 HB2 LYS 35 1HB LYS 35 -15.658 -11.946 0.230
257 HB3 LYS 35 2HB LYS 35 -15.536 -11.706 1.971
258 HG2 LYS 35 1HG LYS 35 -16.431 -9.372 1.686
259 HG3 LYS 35 2HG LYS 35 -16.637 -9.684 -0.041
260 HD2 LYS 35 1HD LYS 35 -18.280 -11.356 0.344
261 HD3 LYS 35 2HD LYS 35 -17.902 -11.475 2.071
262 HE2 LYS 35 1HE LYS 35 -18.881 -8.873 0.857
263 HE3 LYS 35 2HE LYS 35 -20.028 -10.139 1.309
264 HZ1 LYS 35 3HZ LYS 35 -18.048 -9.029 3.242
265 HZ2 LYS 35 1HZ LYS 35 -19.286 -10.025 3.567
266 HZ3 LYS 35 2HZ LYS 35 -19.596 -8.491 3.112
267 H TRP 36 H TRP 36 -12.857 -8.444 0.269
268 HA TRP 36 HA TRP 36 -13.584 -8.406 -2.628
269 HB2 TRP 36 1HB TRP 36 -13.159 -6.053 -0.774
270 HB3 TRP 36 2HB TRP 36 -13.692 -6.005 -2.446
271 HD1 TRP 36 1HD TRP 36 -15.005 -5.864 0.923
272 HE1 TRP 36 1HE TRP 36 -17.533 -6.232 1.029
273 HE3 TRP 36 3HE TRP 36 -15.722 -7.816 -3.760
274 HZ2 TRP 36 2HZ TRP 36 -19.619 -7.240 -0.707
275 HZ3 TRP 36 3HZ TRP 36 -17.995 -8.494 -4.498
276 HH2 TRP 36 2HH TRP 36 -19.948 -8.211 -2.985
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 9.348 13.150 8.558
2 H2 GLY 1 2H GLY 1 8.830 12.660 7.083
3 H3 GLY 1 3H GLY 1 8.888 14.257 7.442
4 HA2 GLY 1 1HA GLY 1 11.286 14.208 7.599
5 HA3 GLY 1 2HA GLY 1 11.230 12.473 7.236
6 H SER 2 H SER 2 12.345 14.981 5.814
7 HA SER 2 HA SER 2 10.824 15.271 3.377
8 HB2 SER 2 1HB SER 2 13.658 16.166 4.002
9 HB3 SER 2 2HB SER 2 12.615 16.769 2.699
10 HG SER 2 HG SER 2 12.580 18.143 4.543
11 H SER 3 H SER 3 13.029 12.829 4.249
12 HA SER 3 HA SER 3 13.193 11.824 1.484
13 HB2 SER 3 1HB SER 3 15.225 13.293 1.897
14 HB3 SER 3 2HB SER 3 15.717 12.140 3.152
15 HG SER 3 HG SER 3 16.648 11.715 1.063
16 H GLY 4 H GLY 4 14.287 9.598 1.510
17 HA2 GLY 4 1HA GLY 4 14.163 8.019 3.953
18 HA3 GLY 4 2HA GLY 4 12.808 7.697 2.870
19 H SER 5 H SER 5 14.576 5.715 3.575
20 HA SER 5 HA SER 5 16.858 5.453 1.889
21 HB2 SER 5 1HB SER 5 15.396 3.289 3.441
22 HB3 SER 5 2HB SER 5 17.079 3.243 2.892
23 HG SER 5 HG SER 5 17.544 4.973 4.289
24 H SER 6 H SER 6 13.588 4.760 1.102
25 HA SER 6 HA SER 6 14.387 3.415 -1.424
26 HB2 SER 6 1HB SER 6 12.399 2.298 0.594
27 HB3 SER 6 2HB SER 6 12.391 1.855 -1.118
28 HG SER 6 HG SER 6 14.607 1.553 0.650
29 H GLY 7 H GLY 7 13.038 3.807 -3.142
30 HA2 GLY 7 1HA GLY 7 11.008 5.919 -2.992
31 HA3 GLY 7 2HA GLY 7 11.452 4.970 -4.415
32 H LEU 8 H LEU 8 8.815 5.694 -3.143
33 HA LEU 8 HA LEU 8 7.660 2.946 -2.882
34 HB2 LEU 8 1HB LEU 8 6.533 5.536 -1.787
35 HB3 LEU 8 2HB LEU 8 5.861 3.917 -1.591
36 HG LEU 8 HG LEU 8 8.516 4.908 -0.445
37 HD11 LEU 8 1HD1 LEU 8 7.386 4.728 1.714
38 HD12 LEU 8 2HD1 LEU 8 5.888 4.212 0.914
39 HD13 LEU 8 3HD1 LEU 8 6.523 5.849 0.649
40 HD21 LEU 8 3HD2 LEU 8 7.128 2.228 -0.028
41 HD22 LEU 8 1HD2 LEU 8 8.581 2.795 0.814
42 HD23 LEU 8 2HD2 LEU 8 8.651 2.469 -0.915
43 H LEU 9 H LEU 9 6.176 2.322 -4.211
44 HA LEU 9 HA LEU 9 5.535 4.062 -6.576
45 HB2 LEU 9 1HB LEU 9 6.183 1.105 -6.301
46 HB3 LEU 9 2HB LEU 9 5.626 1.845 -7.790
47 HG LEU 9 HG LEU 9 8.222 2.528 -6.326
48 HD11 LEU 9 1HD1 LEU 9 7.725 0.981 -8.902
49 HD12 LEU 9 2HD1 LEU 9 8.224 0.285 -7.343
50 HD13 LEU 9 3HD1 LEU 9 9.312 1.383 -8.206
51 HD21 LEU 9 3HD2 LEU 9 7.166 3.472 -9.028
52 HD22 LEU 9 1HD2 LEU 9 8.816 3.736 -8.421
53 HD23 LEU 9 2HD2 LEU 9 7.450 4.483 -7.591
54 H TYR 10 H TYR 10 4.096 1.882 -4.251
55 HA TYR 10 HA TYR 10 1.511 1.885 -5.771
56 HB2 TYR 10 1HB TYR 10 2.600 -0.220 -3.872
57 HB3 TYR 10 2HB TYR 10 1.057 -0.274 -4.690
58 HD1 TYR 10 1HD TYR 10 4.722 -0.500 -5.162
59 HD2 TYR 10 2HD TYR 10 0.872 -0.755 -7.087
60 HE1 TYR 10 1HE TYR 10 5.808 -1.414 -7.216
61 HE2 TYR 10 2HE TYR 10 1.946 -1.706 -9.116
62 HH TYR 10 HH TYR 10 3.917 -2.308 -10.127
63 H ASP 11 H ASP 11 -0.400 2.306 -4.714
64 HA ASP 11 HA ASP 11 -0.178 3.373 -1.936
65 HB2 ASP 11 1HB ASP 11 -1.389 5.298 -2.551
66 HB3 ASP 11 2HB ASP 11 -0.052 5.134 -3.679
67 H CYS 12 H CYS 12 -1.798 3.225 -0.578
68 HA CYS 12 HA CYS 12 -4.074 1.432 -1.059
69 HB2 CYS 12 1HB CYS 12 -2.844 1.333 1.028
70 HB3 CYS 12 2HB CYS 12 -3.101 3.067 1.309
71 H HIS 13 H HIS 13 -6.075 2.066 -1.572
72 HA HIS 13 HA HIS 13 -6.706 4.948 -1.835
73 HB2 HIS 13 1HB HIS 13 -8.564 4.246 -3.224
74 HB3 HIS 13 2HB HIS 13 -7.028 3.625 -3.802
75 HD1 HIS 13 1HD HIS 13 -6.876 1.006 -4.102
76 HD2 HIS 13 2HD HIS 13 -10.287 2.402 -2.076
77 HE1 HIS 13 1HE HIS 13 -8.446 -0.992 -3.885
78 H ILE 14 H ILE 14 -6.919 2.892 0.685
79 HA ILE 14 HA ILE 14 -9.593 3.857 1.631
80 HB ILE 14 HB ILE 14 -7.835 1.780 2.898
81 HG12 ILE 14 1HG1 ILE 14 -8.426 0.942 0.680
82 HG13 ILE 14 2HG1 ILE 14 -9.196 0.041 1.962
83 HG21 ILE 14 1HG2 ILE 14 -9.402 2.681 4.482
84 HG22 ILE 14 2HG2 ILE 14 -10.741 2.565 3.322
85 HG23 ILE 14 3HG2 ILE 14 -10.003 1.097 3.993
86 HD11 ILE 14 3HD1 ILE 14 -10.595 2.141 0.290
87 HD12 ILE 14 1HD1 ILE 14 -10.672 0.375 0.064
88 HD13 ILE 14 2HD1 ILE 14 -11.335 1.100 1.537
89 H CYS 15 H CYS 15 -6.139 3.745 2.538
90 HA CYS 15 HA CYS 15 -6.594 5.834 4.602
91 HB2 CYS 15 1HB CYS 15 -5.377 4.695 6.222
92 HB3 CYS 15 2HB CYS 15 -6.667 3.645 5.636
93 H GLU 16 H GLU 16 -5.043 5.326 1.864
94 HA GLU 16 HA GLU 16 -3.484 6.456 0.737
95 HB2 GLU 16 1HB GLU 16 -4.711 8.238 2.308
96 HB3 GLU 16 2HB GLU 16 -3.069 8.467 2.906
97 HG2 GLU 16 1HG GLU 16 -2.332 8.806 0.493
98 HG3 GLU 16 2HG GLU 16 -4.020 8.648 0.010
99 H ARG 17 H ARG 17 -2.526 4.612 3.140
100 HA ARG 17 HA ARG 17 0.304 5.160 3.377
101 HB2 ARG 17 1HB ARG 17 -1.539 2.858 3.926
102 HB3 ARG 17 2HB ARG 17 0.145 2.432 3.621
103 HG2 ARG 17 1HG ARG 17 0.971 3.834 5.361
104 HG3 ARG 17 2HG ARG 17 -0.609 4.590 5.628
105 HD2 ARG 17 1HD ARG 17 -0.210 1.593 5.945
106 HD3 ARG 17 2HD ARG 17 0.195 2.728 7.230
107 HE ARG 17 HE ARG 17 -2.524 2.904 6.001
108 HH11 ARG 17 2HH1 ARG 17 -0.757 2.034 8.913
109 HH12 ARG 17 1HH1 ARG 17 -2.211 2.066 9.873
110 HH21 ARG 17 2HH2 ARG 17 -4.234 2.884 7.186
111 HH22 ARG 17 1HH2 ARG 17 -4.177 2.555 8.914
112 H LYS 18 H LYS 18 2.038 4.037 2.435
113 HA LYS 18 HA LYS 18 1.616 3.178 -0.385
114 HB2 LYS 18 1HB LYS 18 3.344 5.500 0.506
115 HB3 LYS 18 2HB LYS 18 3.528 4.692 -1.057
116 HG2 LYS 18 1HG LYS 18 1.370 5.268 -1.806
117 HG3 LYS 18 2HG LYS 18 0.854 5.870 -0.232
118 HD2 LYS 18 1HD LYS 18 3.114 7.100 -1.845
119 HD3 LYS 18 2HD LYS 18 1.440 7.649 -1.951
120 HE2 LYS 18 1HE LYS 18 3.001 7.532 0.666
121 HE3 LYS 18 2HE LYS 18 2.979 8.955 -0.378
122 HZ1 LYS 18 3HZ LYS 18 1.294 9.124 1.356
123 HZ2 LYS 18 1HZ LYS 18 0.545 7.756 0.876
124 HZ3 LYS 18 2HZ LYS 18 0.567 9.070 -0.099
125 H PHE 19 H PHE 19 3.247 2.098 -1.379
126 HA PHE 19 HA PHE 19 5.211 0.714 0.409
127 HB2 PHE 19 1HB PHE 19 3.160 -0.596 -1.389
128 HB3 PHE 19 2HB PHE 19 4.318 -1.421 -0.380
129 HD1 PHE 19 1HD PHE 19 4.086 -1.466 2.106
130 HD2 PHE 19 2HD PHE 19 1.128 0.397 -0.411
131 HE1 PHE 19 1HE PHE 19 2.529 -1.337 4.035
132 HE2 PHE 19 2HE PHE 19 -0.420 0.564 1.537
133 HZ PHE 19 HZ PHE 19 0.289 -0.298 3.764
134 H LYS 20 H LYS 20 6.672 -0.713 -0.649
135 HA LYS 20 HA LYS 20 7.885 0.537 -2.969
136 HB2 LYS 20 1HB LYS 20 9.039 -0.311 -0.885
137 HB3 LYS 20 2HB LYS 20 8.759 -1.961 -1.447
138 HG2 LYS 20 1HG LYS 20 10.092 -1.558 -3.455
139 HG3 LYS 20 2HG LYS 20 10.211 0.168 -3.070
140 HD2 LYS 20 1HD LYS 20 11.433 -0.461 -0.938
141 HD3 LYS 20 2HD LYS 20 11.463 -2.141 -1.526
142 HE2 LYS 20 1HE LYS 20 12.630 -1.381 -3.588
143 HE3 LYS 20 2HE LYS 20 12.555 0.292 -3.008
144 HZ1 LYS 20 3HZ LYS 20 14.007 -1.890 -1.601
145 HZ2 LYS 20 1HZ LYS 20 13.985 -0.306 -1.166
146 HZ3 LYS 20 2HZ LYS 20 14.719 -0.766 -2.548
147 H ASN 21 H ASN 21 6.445 -2.638 -2.357
148 HA ASN 21 HA ASN 21 6.428 -3.191 -5.308
149 HB2 ASN 21 1HB ASN 21 6.152 -5.195 -3.036
150 HB3 ASN 21 2HB ASN 21 6.196 -5.560 -4.753
151 HD21 ASN 21 1HD2 ASN 21 8.063 -4.821 -1.943
152 HD22 ASN 21 2HD2 ASN 21 9.625 -5.160 -2.694
153 H GLU 22 H GLU 22 4.585 -4.234 -6.197
154 HA GLU 22 HA GLU 22 2.015 -3.228 -5.416
155 HB2 GLU 22 1HB GLU 22 2.791 -4.081 -7.720
156 HB3 GLU 22 2HB GLU 22 2.585 -5.711 -7.094
157 HG2 GLU 22 1HG GLU 22 0.190 -5.250 -6.667
158 HG3 GLU 22 2HG GLU 22 0.401 -3.579 -7.190
159 H LEU 23 H LEU 23 3.683 -6.307 -4.830
160 HA LEU 23 HA LEU 23 1.670 -7.734 -3.456
161 HB2 LEU 23 1HB LEU 23 3.696 -8.784 -4.270
162 HB3 LEU 23 2HB LEU 23 4.708 -7.739 -3.269
163 HG LEU 23 HG LEU 23 3.830 -8.796 -1.223
164 HD11 LEU 23 1HD1 LEU 23 2.544 -10.916 -1.379
165 HD12 LEU 23 2HD1 LEU 23 2.342 -10.656 -3.126
166 HD13 LEU 23 3HD1 LEU 23 1.604 -9.537 -1.955
167 HD21 LEU 23 3HD2 LEU 23 5.870 -9.651 -2.298
168 HD22 LEU 23 1HD2 LEU 23 4.897 -10.779 -3.269
169 HD23 LEU 23 2HD2 LEU 23 4.971 -10.951 -1.499
170 H ASP 24 H ASP 24 4.230 -5.595 -2.064
171 HA ASP 24 HA ASP 24 3.507 -5.870 0.650
172 HB2 ASP 24 1HB ASP 24 4.707 -3.514 -0.836
173 HB3 ASP 24 2HB ASP 24 4.632 -3.634 0.924
174 H ARG 25 H ARG 25 2.108 -3.737 -1.772
175 HA ARG 25 HA ARG 25 0.326 -2.366 0.131
176 HB2 ARG 25 1HB ARG 25 1.316 -1.338 -1.949
177 HB3 ARG 25 2HB ARG 25 0.349 -2.364 -2.922
178 HG2 ARG 25 1HG ARG 25 -0.838 -0.424 -0.852
179 HG3 ARG 25 2HG ARG 25 -0.417 0.064 -2.494
180 HD2 ARG 25 1HD ARG 25 -2.551 -1.876 -1.619
181 HD3 ARG 25 2HD ARG 25 -2.749 -0.331 -2.421
182 HE ARG 25 HE ARG 25 -1.458 -2.739 -3.617
183 HH11 ARG 25 2HH1 ARG 25 -2.958 0.356 -4.305
184 HH12 ARG 25 1HH1 ARG 25 -3.342 -0.111 -5.944
185 HH21 ARG 25 2HH2 ARG 25 -2.236 -3.364 -5.536
186 HH22 ARG 25 1HH2 ARG 25 -2.842 -2.174 -6.682
187 H ASP 26 H ASP 26 -0.025 -4.899 -2.359
188 HA ASP 26 HA ASP 26 -2.824 -5.197 -2.169
189 HB2 ASP 26 1HB ASP 26 -0.556 -6.977 -3.077
190 HB3 ASP 26 2HB ASP 26 -2.168 -7.634 -2.931
191 H ARG 27 H ARG 27 -0.269 -6.881 -0.232
192 HA ARG 27 HA ARG 27 -2.288 -8.328 1.303
193 HB2 ARG 27 1HB ARG 27 -0.578 -9.061 2.753
194 HB3 ARG 27 2HB ARG 27 -0.075 -9.273 1.079
195 HG2 ARG 27 1HG ARG 27 1.515 -7.520 1.208
196 HG3 ARG 27 2HG ARG 27 0.812 -6.828 2.657
197 HD2 ARG 27 1HD ARG 27 1.432 -8.953 3.900
198 HD3 ARG 27 2HD ARG 27 2.289 -9.501 2.459
199 HE ARG 27 HE ARG 27 3.093 -7.416 4.374
200 HH11 ARG 27 2HH1 ARG 27 3.826 -8.732 1.183
201 HH12 ARG 27 1HH1 ARG 27 5.199 -7.630 1.024
202 HH21 ARG 27 1HH2 ARG 27 4.979 -6.205 4.044
203 HH22 ARG 27 2HH2 ARG 27 5.788 -6.368 2.487
204 H HIS 28 H HIS 28 -0.989 -5.097 1.639
205 HA HIS 28 HA HIS 28 -2.041 -4.689 4.335
206 HB2 HIS 28 1HB HIS 28 -0.328 -3.216 3.679
207 HB3 HIS 28 2HB HIS 28 -1.054 -2.869 2.122
208 HD1 HIS 28 1HD HIS 28 -1.557 -1.976 5.821
209 HD2 HIS 28 2HD HIS 28 -2.951 -1.032 1.967
210 HE1 HIS 28 1HE HIS 28 -3.055 0.047 6.107
211 H MET 29 H MET 29 -3.508 -4.311 1.027
212 HA MET 29 HA MET 29 -5.890 -3.104 1.915
213 HB2 MET 29 1HB MET 29 -5.738 -5.185 -0.287
214 HB3 MET 29 2HB MET 29 -6.951 -3.931 -0.083
215 HG2 MET 29 1HG MET 29 -4.056 -3.606 -0.867
216 HG3 MET 29 2HG MET 29 -5.467 -3.254 -1.835
217 HE1 MET 29 3HE MET 29 -6.906 -1.191 -1.704
218 HE2 MET 29 1HE MET 29 -7.385 -1.456 -0.013
219 HE3 MET 29 2HE MET 29 -6.748 0.126 -0.523
220 H LEU 30 H LEU 30 -4.893 -6.396 2.482
221 HA LEU 30 HA LEU 30 -7.413 -7.608 3.068
222 HB2 LEU 30 1HB LEU 30 -4.709 -8.136 4.359
223 HB3 LEU 30 2HB LEU 30 -6.085 -9.214 4.357
224 HG LEU 30 HG LEU 30 -4.498 -8.391 1.884
225 HD11 LEU 30 1HD1 LEU 30 -4.598 -11.033 3.396
226 HD12 LEU 30 2HD1 LEU 30 -3.252 -9.873 3.421
227 HD13 LEU 30 3HD1 LEU 30 -3.673 -10.700 1.913
228 HD21 LEU 30 3HD2 LEU 30 -6.745 -10.423 2.184
229 HD22 LEU 30 1HD2 LEU 30 -5.729 -10.196 0.739
230 HD23 LEU 30 2HD2 LEU 30 -6.811 -8.901 1.262
231 H VAL 31 H VAL 31 -5.499 -5.311 4.966
232 HA VAL 31 HA VAL 31 -6.854 -5.846 7.480
233 HB VAL 31 HB VAL 31 -5.772 -4.073 8.419
234 HG11 VAL 31 1HG1 VAL 31 -3.813 -4.869 6.264
235 HG12 VAL 31 2HG1 VAL 31 -3.459 -4.237 7.878
236 HG13 VAL 31 3HG1 VAL 31 -4.217 -5.830 7.702
237 HG21 VAL 31 3HG2 VAL 31 -6.343 -2.164 7.198
238 HG22 VAL 31 1HG2 VAL 31 -4.582 -2.237 7.175
239 HG23 VAL 31 2HG2 VAL 31 -5.513 -2.713 5.740
240 H HIS 32 H HIS 32 -7.675 -4.012 4.676
241 HA HIS 32 HA HIS 32 -9.963 -2.631 5.965
242 HB2 HIS 32 1HB HIS 32 -9.021 -2.558 3.078
243 HB3 HIS 32 2HB HIS 32 -10.174 -1.476 3.851
244 HD1 HIS 32 1HD HIS 32 -8.678 -0.440 6.341
245 HD2 HIS 32 2HD HIS 32 -6.921 -1.145 2.587
246 HE1 HIS 32 1HE HIS 32 -6.595 1.006 6.281
247 H GLY 33 H GLY 33 -9.293 -5.242 3.645
248 HA2 GLY 33 1HA GLY 33 -10.580 -7.104 3.118
249 HA3 GLY 33 2HA GLY 33 -11.881 -6.502 4.138
250 H ASP 34 H ASP 34 -13.102 -7.442 2.318
251 HA ASP 34 HA ASP 34 -13.725 -5.413 0.227
252 HB2 ASP 34 1HB ASP 34 -12.205 -7.167 -0.686
253 HB3 ASP 34 2HB ASP 34 -13.413 -8.388 -0.324
254 H LYS 35 H LYS 35 -15.284 -8.516 0.181
255 HA LYS 35 HA LYS 35 -17.398 -9.238 0.593
256 HB2 LYS 35 1HB LYS 35 -17.110 -7.700 3.194
257 HB3 LYS 35 2HB LYS 35 -18.160 -9.084 2.902
258 HG2 LYS 35 1HG LYS 35 -15.118 -9.140 2.807
259 HG3 LYS 35 2HG LYS 35 -16.114 -9.641 4.175
260 HD2 LYS 35 1HD LYS 35 -17.168 -11.406 2.752
261 HD3 LYS 35 2HD LYS 35 -16.086 -10.947 1.416
262 HE2 LYS 35 1HE LYS 35 -14.115 -11.451 2.834
263 HE3 LYS 35 2HE LYS 35 -15.183 -11.902 4.169
264 HZ1 LYS 35 3HZ LYS 35 -16.061 -13.701 2.775
265 HZ2 LYS 35 1HZ LYS 35 -14.446 -13.856 2.933
266 HZ3 LYS 35 2HZ LYS 35 -15.072 -13.286 1.540
267 H TRP 36 H TRP 36 -17.232 -6.710 -0.796
268 HA TRP 36 HA TRP 36 -19.431 -5.004 -0.130
269 HB2 TRP 36 1HB TRP 36 -18.115 -5.375 -2.829
270 HB3 TRP 36 2HB TRP 36 -19.107 -4.015 -2.326
271 HD1 TRP 36 1HD TRP 36 -15.683 -4.849 -2.804
272 HE1 TRP 36 1HE TRP 36 -14.054 -3.329 -1.523
273 HE3 TRP 36 3HE TRP 36 -18.993 -2.713 0.470
274 HZ2 TRP 36 2HZ TRP 36 -14.172 -1.459 0.672
275 HZ3 TRP 36 3HZ TRP 36 -18.203 -1.060 2.147
276 HH2 TRP 36 2HH TRP 36 -15.801 -0.426 2.261
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 12.365 21.448 -3.329
2 H2 GLY 1 2H GLY 1 13.064 21.898 -4.736
3 H3 GLY 1 3H GLY 1 13.999 21.449 -3.467
4 HA2 GLY 1 1HA GLY 1 13.931 19.684 -5.097
5 HA3 GLY 1 2HA GLY 1 13.186 19.194 -3.565
6 H SER 2 H SER 2 12.581 17.809 -5.842
7 HA SER 2 HA SER 2 10.171 18.752 -7.162
8 HB2 SER 2 1HB SER 2 11.751 17.209 -8.236
9 HB3 SER 2 2HB SER 2 11.372 15.964 -7.027
10 HG SER 2 HG SER 2 10.181 15.820 -9.055
11 H SER 3 H SER 3 8.061 18.036 -6.955
12 HA SER 3 HA SER 3 7.170 17.013 -4.335
13 HB2 SER 3 1HB SER 3 4.912 17.464 -5.249
14 HB3 SER 3 2HB SER 3 5.972 18.884 -5.277
15 HG SER 3 HG SER 3 4.824 18.605 -7.258
16 H GLY 4 H GLY 4 8.084 15.613 -7.316
17 HA2 GLY 4 1HA GLY 4 6.180 13.454 -7.499
18 HA3 GLY 4 2HA GLY 4 7.747 13.543 -8.297
19 H SER 5 H SER 5 6.268 11.353 -6.809
20 HA SER 5 HA SER 5 7.810 10.719 -4.442
21 HB2 SER 5 1HB SER 5 6.007 8.928 -6.108
22 HB3 SER 5 2HB SER 5 6.573 8.610 -4.461
23 HG SER 5 HG SER 5 5.416 10.464 -3.768
24 H SER 6 H SER 6 9.273 9.043 -4.094
25 HA SER 6 HA SER 6 10.279 7.422 -6.336
26 HB2 SER 6 1HB SER 6 12.630 7.890 -5.814
27 HB3 SER 6 2HB SER 6 11.784 9.335 -6.385
28 HG SER 6 HG SER 6 13.095 9.775 -4.554
29 H GLY 7 H GLY 7 11.379 5.514 -5.659
30 HA2 GLY 7 1HA GLY 7 11.787 3.674 -4.299
31 HA3 GLY 7 2HA GLY 7 11.510 4.683 -2.870
32 H LEU 8 H LEU 8 8.981 5.527 -3.148
33 HA LEU 8 HA LEU 8 7.318 3.112 -2.770
34 HB2 LEU 8 1HB LEU 8 6.776 6.078 -2.349
35 HB3 LEU 8 2HB LEU 8 5.658 4.774 -1.945
36 HG LEU 8 HG LEU 8 8.435 5.097 -0.698
37 HD11 LEU 8 1HD1 LEU 8 7.220 5.904 1.281
38 HD12 LEU 8 2HD1 LEU 8 5.694 5.873 0.359
39 HD13 LEU 8 3HD1 LEU 8 7.004 6.972 -0.116
40 HD21 LEU 8 3HD2 LEU 8 7.562 3.510 0.993
41 HD22 LEU 8 1HD2 LEU 8 7.619 2.770 -0.612
42 HD23 LEU 8 2HD2 LEU 8 6.070 3.333 0.050
43 H LEU 9 H LEU 9 6.018 2.378 -4.219
44 HA LEU 9 HA LEU 9 5.462 3.945 -6.720
45 HB2 LEU 9 1HB LEU 9 6.228 1.039 -6.273
46 HB3 LEU 9 2HB LEU 9 5.621 1.647 -7.802
47 HG LEU 9 HG LEU 9 8.191 2.555 -6.420
48 HD11 LEU 9 1HD1 LEU 9 8.297 0.253 -7.296
49 HD12 LEU 9 2HD1 LEU 9 9.320 1.346 -8.238
50 HD13 LEU 9 3HD1 LEU 9 7.749 0.822 -8.888
51 HD21 LEU 9 3HD2 LEU 9 8.706 3.645 -8.604
52 HD22 LEU 9 1HD2 LEU 9 7.320 4.383 -7.802
53 HD23 LEU 9 2HD2 LEU 9 7.061 3.267 -9.164
54 H TYR 10 H TYR 10 4.064 1.893 -4.277
55 HA TYR 10 HA TYR 10 1.454 1.815 -5.745
56 HB2 TYR 10 1HB TYR 10 2.607 -0.246 -3.833
57 HB3 TYR 10 2HB TYR 10 1.058 -0.337 -4.640
58 HD1 TYR 10 1HD TYR 10 4.722 -0.515 -5.115
59 HD2 TYR 10 2HD TYR 10 0.875 -0.866 -7.031
60 HE1 TYR 10 1HE TYR 10 5.821 -1.444 -7.160
61 HE2 TYR 10 2HE TYR 10 1.963 -1.824 -9.051
62 HH TYR 10 HH TYR 10 3.943 -2.409 -10.055
63 H ASP 11 H ASP 11 -0.421 2.227 -4.634
64 HA ASP 11 HA ASP 11 -0.166 3.269 -1.856
65 HB2 ASP 11 1HB ASP 11 -1.345 5.243 -2.437
66 HB3 ASP 11 2HB ASP 11 0.027 5.083 -3.525
67 H CYS 12 H CYS 12 -1.854 3.276 -0.555
68 HA CYS 12 HA CYS 12 -4.155 1.494 -1.031
69 HB2 CYS 12 1HB CYS 12 -2.911 1.345 1.034
70 HB3 CYS 12 2HB CYS 12 -3.075 3.084 1.321
71 H HIS 13 H HIS 13 -6.233 2.191 -1.341
72 HA HIS 13 HA HIS 13 -6.678 5.100 -1.752
73 HB2 HIS 13 1HB HIS 13 -8.529 4.558 -3.116
74 HB3 HIS 13 2HB HIS 13 -7.142 3.619 -3.627
75 HD1 HIS 13 1HD HIS 13 -7.535 1.036 -3.828
76 HD2 HIS 13 2HD HIS 13 -10.539 3.159 -1.787
77 HE1 HIS 13 1HE HIS 13 -9.460 -0.602 -3.485
78 H ILE 14 H ILE 14 -6.981 3.135 0.832
79 HA ILE 14 HA ILE 14 -9.581 4.295 1.775
80 HB ILE 14 HB ILE 14 -8.068 1.887 2.847
81 HG12 ILE 14 1HG1 ILE 14 -10.312 0.799 1.906
82 HG13 ILE 14 2HG1 ILE 14 -10.248 2.137 0.759
83 HG21 ILE 14 1HG2 ILE 14 -10.860 2.955 3.441
84 HG22 ILE 14 2HG2 ILE 14 -10.178 1.431 4.050
85 HG23 ILE 14 3HG2 ILE 14 -9.469 2.959 4.556
86 HD11 ILE 14 3HD1 ILE 14 -8.052 0.074 1.254
87 HD12 ILE 14 1HD1 ILE 14 -9.234 0.018 -0.059
88 HD13 ILE 14 2HD1 ILE 14 -8.037 1.322 -0.008
89 H CYS 15 H CYS 15 -6.229 3.718 2.772
90 HA CYS 15 HA CYS 15 -6.481 5.892 4.803
91 HB2 CYS 15 1HB CYS 15 -5.207 4.740 6.353
92 HB3 CYS 15 2HB CYS 15 -6.519 3.684 5.839
93 H GLU 16 H GLU 16 -5.110 5.308 1.980
94 HA GLU 16 HA GLU 16 -3.621 6.431 0.742
95 HB2 GLU 16 1HB GLU 16 -4.733 8.233 2.415
96 HB3 GLU 16 2HB GLU 16 -3.034 8.481 2.812
97 HG2 GLU 16 1HG GLU 16 -2.589 8.733 0.312
98 HG3 GLU 16 2HG GLU 16 -4.326 8.593 0.047
99 H ARG 17 H ARG 17 -2.530 4.680 3.196
100 HA ARG 17 HA ARG 17 0.284 5.243 3.326
101 HB2 ARG 17 1HB ARG 17 -1.351 2.717 3.779
102 HB3 ARG 17 2HB ARG 17 0.407 2.747 3.967
103 HG2 ARG 17 1HG ARG 17 0.263 4.528 5.652
104 HG3 ARG 17 2HG ARG 17 -1.501 4.573 5.466
105 HD2 ARG 17 1HD ARG 17 -1.597 2.174 6.137
106 HD3 ARG 17 2HD ARG 17 0.147 2.169 6.358
107 HE ARG 17 HE ARG 17 -0.040 3.327 8.350
108 HH11 ARG 17 2HH1 ARG 17 -3.283 3.413 6.886
109 HH12 ARG 17 1HH1 ARG 17 -3.974 3.951 8.386
110 HH21 ARG 17 2HH2 ARG 17 -1.053 4.053 10.159
111 HH22 ARG 17 1HH2 ARG 17 -2.768 4.330 10.154
112 H LYS 18 H LYS 18 1.968 3.864 2.560
113 HA LYS 18 HA LYS 18 1.643 3.085 -0.303
114 HB2 LYS 18 1HB LYS 18 3.502 5.295 0.655
115 HB3 LYS 18 2HB LYS 18 3.483 4.593 -0.978
116 HG2 LYS 18 1HG LYS 18 1.068 5.238 -1.173
117 HG3 LYS 18 2HG LYS 18 1.224 6.095 0.377
118 HD2 LYS 18 1HD LYS 18 2.913 7.591 -0.574
119 HD3 LYS 18 2HD LYS 18 2.876 6.674 -2.099
120 HE2 LYS 18 1HE LYS 18 1.498 8.601 -2.406
121 HE3 LYS 18 2HE LYS 18 0.478 7.152 -2.341
122 HZ1 LYS 18 3HZ LYS 18 -0.454 8.986 -1.006
123 HZ2 LYS 18 1HZ LYS 18 0.886 9.057 -0.084
124 HZ3 LYS 18 2HZ LYS 18 -0.080 7.738 -0.014
125 H PHE 19 H PHE 19 3.258 2.062 -1.323
126 HA PHE 19 HA PHE 19 5.272 0.654 0.394
127 HB2 PHE 19 1HB PHE 19 3.233 -0.674 -1.409
128 HB3 PHE 19 2HB PHE 19 4.398 -1.486 -0.392
129 HD1 PHE 19 1HD PHE 19 4.134 -1.558 2.086
130 HD2 PHE 19 2HD PHE 19 1.209 0.360 -0.426
131 HE1 PHE 19 1HE PHE 19 2.581 -1.398 4.017
132 HE2 PHE 19 2HE PHE 19 -0.333 0.559 1.520
133 HZ PHE 19 HZ PHE 19 0.361 -0.313 3.743
134 H LYS 20 H LYS 20 6.820 -0.624 -0.705
135 HA LYS 20 HA LYS 20 7.877 0.636 -3.110
136 HB2 LYS 20 1HB LYS 20 8.867 -1.816 -1.583
137 HB3 LYS 20 2HB LYS 20 9.749 -0.917 -2.819
138 HG2 LYS 20 1HG LYS 20 9.582 1.133 -1.313
139 HG3 LYS 20 2HG LYS 20 8.923 0.054 -0.061
140 HD2 LYS 20 1HD LYS 20 11.002 -1.312 -0.145
141 HD3 LYS 20 2HD LYS 20 11.627 -0.274 -1.431
142 HE2 LYS 20 1HE LYS 20 12.690 0.434 0.567
143 HE3 LYS 20 2HE LYS 20 11.530 1.687 0.127
144 HZ1 LYS 20 3HZ LYS 20 11.087 -0.408 2.196
145 HZ2 LYS 20 1HZ LYS 20 10.021 0.777 1.823
146 HZ3 LYS 20 2HZ LYS 20 11.453 1.149 2.504
147 H ASN 21 H ASN 21 6.331 -2.443 -2.415
148 HA ASN 21 HA ASN 21 6.406 -3.164 -5.320
149 HB2 ASN 21 1HB ASN 21 6.202 -5.089 -2.979
150 HB3 ASN 21 2HB ASN 21 6.387 -5.497 -4.677
151 HD21 ASN 21 1HD2 ASN 21 7.990 -4.765 -1.762
152 HD22 ASN 21 2HD2 ASN 21 9.625 -4.853 -2.411
153 H GLU 22 H GLU 22 4.630 -4.298 -6.156
154 HA GLU 22 HA GLU 22 2.027 -3.335 -5.415
155 HB2 GLU 22 1HB GLU 22 2.831 -4.190 -7.705
156 HB3 GLU 22 2HB GLU 22 2.665 -5.821 -7.065
157 HG2 GLU 22 1HG GLU 22 0.256 -5.417 -6.652
158 HG3 GLU 22 2HG GLU 22 0.427 -3.747 -7.193
159 H LEU 23 H LEU 23 3.761 -6.353 -4.777
160 HA LEU 23 HA LEU 23 1.780 -7.827 -3.395
161 HB2 LEU 23 1HB LEU 23 3.800 -8.868 -4.125
162 HB3 LEU 23 2HB LEU 23 4.811 -7.729 -3.230
163 HG LEU 23 HG LEU 23 4.035 -8.685 -1.083
164 HD11 LEU 23 1HD1 LEU 23 2.819 -10.840 -1.061
165 HD12 LEU 23 2HD1 LEU 23 2.561 -10.713 -2.818
166 HD13 LEU 23 3HD1 LEU 23 1.815 -9.541 -1.704
167 HD21 LEU 23 3HD2 LEU 23 5.247 -10.804 -1.270
168 HD22 LEU 23 1HD2 LEU 23 6.069 -9.521 -2.172
169 HD23 LEU 23 2HD2 LEU 23 5.115 -10.744 -3.043
170 H ASP 24 H ASP 24 4.261 -5.578 -1.995
171 HA ASP 24 HA ASP 24 3.438 -5.955 0.691
172 HB2 ASP 24 1HB ASP 24 4.920 -3.703 -0.689
173 HB3 ASP 24 2HB ASP 24 4.628 -3.726 1.055
174 H ARG 25 H ARG 25 2.180 -3.756 -1.732
175 HA ARG 25 HA ARG 25 0.383 -2.359 0.137
176 HB2 ARG 25 1HB ARG 25 1.365 -1.373 -1.977
177 HB3 ARG 25 2HB ARG 25 0.376 -2.411 -2.915
178 HG2 ARG 25 1HG ARG 25 -0.751 -0.413 -0.862
179 HG3 ARG 25 2HG ARG 25 -0.389 0.016 -2.533
180 HD2 ARG 25 1HD ARG 25 -2.470 -1.906 -1.513
181 HD3 ARG 25 2HD ARG 25 -2.724 -0.384 -2.334
182 HE ARG 25 HE ARG 25 -1.452 -2.793 -3.550
183 HH11 ARG 25 2HH1 ARG 25 -3.029 0.270 -4.207
184 HH12 ARG 25 1HH1 ARG 25 -3.497 -0.227 -5.814
185 HH21 ARG 25 2HH2 ARG 25 -2.318 -3.456 -5.423
186 HH22 ARG 25 1HH2 ARG 25 -3.002 -2.290 -6.553
187 H ASP 26 H ASP 26 0.048 -4.965 -2.293
188 HA ASP 26 HA ASP 26 -2.752 -5.264 -2.028
189 HB2 ASP 26 1HB ASP 26 -0.512 -7.076 -2.979
190 HB3 ASP 26 2HB ASP 26 -2.146 -7.688 -2.820
191 H ARG 27 H ARG 27 -0.122 -6.873 -0.164
192 HA ARG 27 HA ARG 27 -1.958 -8.402 1.485
193 HB2 ARG 27 1HB ARG 27 -0.108 -8.940 2.877
194 HB3 ARG 27 2HB ARG 27 0.324 -9.127 1.175
195 HG2 ARG 27 1HG ARG 27 1.564 -7.023 1.223
196 HG3 ARG 27 2HG ARG 27 1.049 -6.683 2.849
197 HD2 ARG 27 1HD ARG 27 2.255 -8.779 3.608
198 HD3 ARG 27 2HD ARG 27 2.785 -9.024 1.945
199 HE ARG 27 HE ARG 27 4.363 -7.301 2.153
200 HH11 ARG 27 2HH1 ARG 27 2.410 -7.252 5.080
201 HH12 ARG 27 1HH1 ARG 27 3.494 -6.128 5.854
202 HH21 ARG 27 2HH2 ARG 27 5.591 -5.914 3.112
203 HH22 ARG 27 1HH2 ARG 27 5.305 -5.385 4.770
204 H HIS 28 H HIS 28 -0.992 -5.081 1.648
205 HA HIS 28 HA HIS 28 -2.083 -4.661 4.367
206 HB2 HIS 28 1HB HIS 28 -0.312 -3.215 3.761
207 HB3 HIS 28 2HB HIS 28 -0.988 -2.858 2.184
208 HD1 HIS 28 1HD HIS 28 -1.526 -1.930 5.859
209 HD2 HIS 28 2HD HIS 28 -2.891 -1.014 1.986
210 HE1 HIS 28 1HE HIS 28 -2.971 0.135 6.110
211 H MET 29 H MET 29 -3.365 -4.369 0.978
212 HA MET 29 HA MET 29 -5.800 -3.130 1.734
213 HB2 MET 29 1HB MET 29 -5.463 -5.211 -0.438
214 HB3 MET 29 2HB MET 29 -6.769 -4.044 -0.296
215 HG2 MET 29 1HG MET 29 -3.864 -3.460 -0.863
216 HG3 MET 29 2HG MET 29 -5.193 -3.333 -1.987
217 HE1 MET 29 3HE MET 29 -6.631 -1.462 -2.387
218 HE2 MET 29 1HE MET 29 -7.494 -1.675 -0.842
219 HE3 MET 29 2HE MET 29 -6.894 -0.071 -1.322
220 H LEU 30 H LEU 30 -4.788 -6.394 2.370
221 HA LEU 30 HA LEU 30 -7.274 -7.683 2.856
222 HB2 LEU 30 1HB LEU 30 -4.670 -8.018 4.398
223 HB3 LEU 30 2HB LEU 30 -5.987 -9.176 4.302
224 HG LEU 30 HG LEU 30 -4.169 -8.349 2.003
225 HD11 LEU 30 1HD1 LEU 30 -3.305 -10.638 2.172
226 HD12 LEU 30 2HD1 LEU 30 -4.398 -10.971 3.534
227 HD13 LEU 30 3HD1 LEU 30 -3.089 -9.781 3.707
228 HD21 LEU 30 3HD2 LEU 30 -5.201 -10.194 0.745
229 HD22 LEU 30 1HD2 LEU 30 -6.371 -8.923 1.108
230 HD23 LEU 30 2HD2 LEU 30 -6.384 -10.433 2.055
231 H VAL 31 H VAL 31 -5.554 -5.266 4.834
232 HA VAL 31 HA VAL 31 -7.101 -5.762 7.236
233 HB VAL 31 HB VAL 31 -6.057 -3.993 8.222
234 HG11 VAL 31 1HG1 VAL 31 -3.716 -4.200 7.849
235 HG12 VAL 31 2HG1 VAL 31 -4.482 -5.784 7.626
236 HG13 VAL 31 3HG1 VAL 31 -3.964 -4.833 6.215
237 HG21 VAL 31 3HG2 VAL 31 -5.606 -2.678 5.553
238 HG22 VAL 31 1HG2 VAL 31 -6.513 -2.093 6.950
239 HG23 VAL 31 2HG2 VAL 31 -4.754 -2.195 7.031
240 H HIS 32 H HIS 32 -7.736 -4.057 4.352
241 HA HIS 32 HA HIS 32 -10.088 -2.595 5.438
242 HB2 HIS 32 1HB HIS 32 -8.793 -2.447 2.692
243 HB3 HIS 32 2HB HIS 32 -10.025 -1.369 3.338
244 HD1 HIS 32 1HD HIS 32 -8.941 -0.291 5.949
245 HD2 HIS 32 2HD HIS 32 -6.514 -1.257 2.648
246 HE1 HIS 32 1HE HIS 32 -6.807 1.046 6.254
247 H GLY 33 H GLY 33 -9.520 -5.624 4.144
248 HA2 GLY 33 1HA GLY 33 -11.451 -5.847 2.060
249 HA3 GLY 33 2HA GLY 33 -10.720 -7.181 2.938
250 H ASP 34 H ASP 34 -13.570 -5.974 2.093
251 HA ASP 34 HA ASP 34 -15.011 -7.600 4.079
252 HB2 ASP 34 1HB ASP 34 -15.658 -4.686 3.485
253 HB3 ASP 34 2HB ASP 34 -16.879 -5.832 4.024
254 H LYS 35 H LYS 35 -16.075 -9.035 2.931
255 HA LYS 35 HA LYS 35 -16.256 -8.976 0.083
256 HB2 LYS 35 1HB LYS 35 -15.946 -10.966 1.542
257 HB3 LYS 35 2HB LYS 35 -17.620 -10.823 2.088
258 HG2 LYS 35 1HG LYS 35 -18.429 -11.253 -0.201
259 HG3 LYS 35 2HG LYS 35 -16.757 -11.259 -0.808
260 HD2 LYS 35 1HD LYS 35 -16.249 -13.214 0.633
261 HD3 LYS 35 2HD LYS 35 -17.919 -13.201 1.241
262 HE2 LYS 35 1HE LYS 35 -18.760 -13.560 -1.073
263 HE3 LYS 35 2HE LYS 35 -17.100 -13.562 -1.681
264 HZ1 LYS 35 3HZ LYS 35 -17.918 -15.822 -1.339
265 HZ2 LYS 35 1HZ LYS 35 -18.210 -15.541 0.241
266 HZ3 LYS 35 2HZ LYS 35 -16.674 -15.543 -0.322
267 H TRP 36 H TRP 36 -18.645 -8.083 2.502
268 HA TRP 36 HA TRP 36 -20.579 -7.250 0.412
269 HB2 TRP 36 1HB TRP 36 -22.383 -8.131 1.829
270 HB3 TRP 36 2HB TRP 36 -21.365 -9.383 1.146
271 HD1 TRP 36 1HD TRP 36 -19.983 -10.885 2.795
272 HE1 TRP 36 1HE TRP 36 -20.113 -11.342 5.321
273 HE3 TRP 36 3HE TRP 36 -22.949 -6.940 4.183
274 HZ2 TRP 36 2HZ TRP 36 -21.358 -10.162 7.637
275 HZ3 TRP 36 3HZ TRP 36 -23.608 -6.646 6.560
276 HH2 TRP 36 2HH TRP 36 -22.820 -8.245 8.294
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 16.204 17.963 -13.270
2 H2 GLY 1 2H GLY 1 16.688 17.903 -11.705
3 H3 GLY 1 3H GLY 1 15.473 18.906 -12.148
4 HA2 GLY 1 1HA GLY 1 14.050 17.051 -12.708
5 HA3 GLY 1 2HA GLY 1 15.370 15.958 -12.251
6 H SER 2 H SER 2 12.616 16.220 -11.147
7 HA SER 2 HA SER 2 12.880 17.392 -8.475
8 HB2 SER 2 1HB SER 2 10.541 16.708 -8.242
9 HB3 SER 2 2HB SER 2 10.804 17.567 -9.770
10 HG SER 2 HG SER 2 9.568 15.682 -10.109
11 H SER 3 H SER 3 13.457 14.253 -9.795
12 HA SER 3 HA SER 3 13.640 12.152 -9.012
13 HB2 SER 3 1HB SER 3 14.465 13.436 -6.395
14 HB3 SER 3 2HB SER 3 14.746 11.754 -6.878
15 HG SER 3 HG SER 3 16.566 13.101 -7.291
16 H GLY 4 H GLY 4 10.989 13.438 -8.776
17 HA2 GLY 4 1HA GLY 4 9.587 12.466 -6.474
18 HA3 GLY 4 2HA GLY 4 8.870 12.951 -8.008
19 H SER 5 H SER 5 7.896 10.863 -6.438
20 HA SER 5 HA SER 5 7.255 8.700 -6.378
21 HB2 SER 5 1HB SER 5 7.631 8.822 -9.381
22 HB3 SER 5 2HB SER 5 6.625 7.668 -8.486
23 HG SER 5 HG SER 5 5.415 9.454 -9.300
24 H SER 6 H SER 6 10.108 9.042 -5.942
25 HA SER 6 HA SER 6 11.312 6.526 -6.939
26 HB2 SER 6 1HB SER 6 12.625 8.634 -6.903
27 HB3 SER 6 2HB SER 6 12.506 8.650 -5.131
28 HG SER 6 HG SER 6 14.447 7.645 -5.913
29 H GLY 7 H GLY 7 11.911 4.816 -5.629
30 HA2 GLY 7 1HA GLY 7 11.919 3.350 -3.838
31 HA3 GLY 7 2HA GLY 7 11.498 4.690 -2.763
32 H LEU 8 H LEU 8 9.135 5.493 -3.176
33 HA LEU 8 HA LEU 8 7.356 3.164 -2.728
34 HB2 LEU 8 1HB LEU 8 6.939 6.155 -2.370
35 HB3 LEU 8 2HB LEU 8 5.735 4.919 -2.010
36 HG LEU 8 HG LEU 8 8.452 5.152 -0.627
37 HD11 LEU 8 1HD1 LEU 8 7.130 5.949 1.296
38 HD12 LEU 8 2HD1 LEU 8 5.656 5.925 0.296
39 HD13 LEU 8 3HD1 LEU 8 6.985 7.032 -0.097
40 HD21 LEU 8 3HD2 LEU 8 7.450 3.566 1.013
41 HD22 LEU 8 1HD2 LEU 8 7.632 2.832 -0.584
42 HD23 LEU 8 2HD2 LEU 8 6.034 3.393 -0.043
43 H LEU 9 H LEU 9 6.062 2.420 -4.165
44 HA LEU 9 HA LEU 9 5.557 3.940 -6.704
45 HB2 LEU 9 1HB LEU 9 6.352 1.052 -6.201
46 HB3 LEU 9 2HB LEU 9 5.729 1.611 -7.745
47 HG LEU 9 HG LEU 9 8.279 2.635 -6.408
48 HD11 LEU 9 1HD1 LEU 9 7.885 0.757 -8.777
49 HD12 LEU 9 2HD1 LEU 9 8.458 0.295 -7.160
50 HD13 LEU 9 3HD1 LEU 9 9.441 1.367 -8.166
51 HD21 LEU 9 3HD2 LEU 9 7.132 3.157 -9.189
52 HD22 LEU 9 1HD2 LEU 9 8.757 3.626 -8.640
53 HD23 LEU 9 2HD2 LEU 9 7.341 4.354 -7.889
54 H TYR 10 H TYR 10 4.124 1.907 -4.256
55 HA TYR 10 HA TYR 10 1.537 1.825 -5.766
56 HB2 TYR 10 1HB TYR 10 2.663 -0.239 -3.841
57 HB3 TYR 10 2HB TYR 10 1.118 -0.321 -4.650
58 HD1 TYR 10 1HD TYR 10 4.787 -0.493 -5.138
59 HD2 TYR 10 2HD TYR 10 0.929 -0.859 -7.034
60 HE1 TYR 10 1HE TYR 10 5.880 -1.388 -7.201
61 HE2 TYR 10 2HE TYR 10 2.012 -1.798 -9.064
62 HH TYR 10 HH TYR 10 3.991 -2.356 -10.087
63 H ASP 11 H ASP 11 -0.365 2.206 -4.670
64 HA ASP 11 HA ASP 11 -0.138 3.302 -1.910
65 HB2 ASP 11 1HB ASP 11 -1.297 5.269 -2.539
66 HB3 ASP 11 2HB ASP 11 0.068 5.081 -3.629
67 H CYS 12 H CYS 12 -1.845 3.341 -0.627
68 HA CYS 12 HA CYS 12 -4.183 1.606 -1.171
69 HB2 CYS 12 1HB CYS 12 -2.980 1.322 0.906
70 HB3 CYS 12 2HB CYS 12 -3.103 3.052 1.271
71 H HIS 13 H HIS 13 -6.185 2.386 -1.562
72 HA HIS 13 HA HIS 13 -6.566 5.322 -1.808
73 HB2 HIS 13 1HB HIS 13 -8.381 4.875 -3.260
74 HB3 HIS 13 2HB HIS 13 -7.004 3.917 -3.777
75 HD1 HIS 13 1HD HIS 13 -10.474 3.474 -2.151
76 HD2 HIS 13 2HD HIS 13 -7.300 1.263 -3.799
77 HE1 HIS 13 1HE HIS 13 -11.328 1.080 -2.427
78 H ILE 14 H ILE 14 -7.006 3.182 0.634
79 HA ILE 14 HA ILE 14 -9.627 4.301 1.552
80 HB ILE 14 HB ILE 14 -8.130 1.873 2.598
81 HG12 ILE 14 1HG1 ILE 14 -10.292 0.771 1.503
82 HG13 ILE 14 2HG1 ILE 14 -10.191 2.140 0.397
83 HG21 ILE 14 1HG2 ILE 14 -10.972 2.859 3.066
84 HG22 ILE 14 2HG2 ILE 14 -10.285 1.335 3.670
85 HG23 ILE 14 3HG2 ILE 14 -9.648 2.867 4.257
86 HD11 ILE 14 3HD1 ILE 14 -7.976 0.118 0.963
87 HD12 ILE 14 1HD1 ILE 14 -9.098 0.060 -0.401
88 HD13 ILE 14 2HD1 ILE 14 -7.932 1.388 -0.276
89 H CYS 15 H CYS 15 -6.294 3.721 2.618
90 HA CYS 15 HA CYS 15 -6.633 5.775 4.753
91 HB2 CYS 15 1HB CYS 15 -5.475 4.517 6.314
92 HB3 CYS 15 2HB CYS 15 -6.780 3.517 5.671
93 H GLU 16 H GLU 16 -5.118 5.331 1.990
94 HA GLU 16 HA GLU 16 -3.540 6.488 0.910
95 HB2 GLU 16 1HB GLU 16 -4.789 8.203 2.553
96 HB3 GLU 16 2HB GLU 16 -3.142 8.439 3.130
97 HG2 GLU 16 1HG GLU 16 -2.441 8.889 0.738
98 HG3 GLU 16 2HG GLU 16 -4.118 8.650 0.244
99 H ARG 17 H ARG 17 -2.578 4.496 3.118
100 HA ARG 17 HA ARG 17 0.259 5.097 3.415
101 HB2 ARG 17 1HB ARG 17 -1.548 2.733 3.883
102 HB3 ARG 17 2HB ARG 17 0.166 2.389 3.645
103 HG2 ARG 17 1HG ARG 17 0.850 3.797 5.438
104 HG3 ARG 17 2HG ARG 17 -0.765 4.487 5.641
105 HD2 ARG 17 1HD ARG 17 -0.299 1.500 5.951
106 HD3 ARG 17 2HD ARG 17 0.069 2.628 7.255
107 HE ARG 17 HE ARG 17 -2.635 2.794 6.004
108 HH11 ARG 17 2HH1 ARG 17 -0.877 1.837 8.893
109 HH12 ARG 17 1HH1 ARG 17 -2.339 1.802 9.842
110 HH21 ARG 17 2HH2 ARG 17 -4.357 2.683 7.173
111 HH22 ARG 17 1HH2 ARG 17 -4.304 2.290 8.888
112 H LYS 18 H LYS 18 1.992 3.915 2.491
113 HA LYS 18 HA LYS 18 1.614 3.113 -0.348
114 HB2 LYS 18 1HB LYS 18 3.446 5.355 0.588
115 HB3 LYS 18 2HB LYS 18 3.519 4.581 -1.006
116 HG2 LYS 18 1HG LYS 18 1.106 5.225 -1.358
117 HG3 LYS 18 2HG LYS 18 1.213 6.205 0.121
118 HD2 LYS 18 1HD LYS 18 3.076 7.498 -0.877
119 HD3 LYS 18 2HD LYS 18 2.976 6.497 -2.352
120 HE2 LYS 18 1HE LYS 18 0.645 7.194 -2.683
121 HE3 LYS 18 2HE LYS 18 0.714 8.180 -1.214
122 HZ1 LYS 18 3HZ LYS 18 2.433 9.542 -2.284
123 HZ2 LYS 18 1HZ LYS 18 1.086 9.536 -3.201
124 HZ3 LYS 18 2HZ LYS 18 2.371 8.635 -3.645
125 H PHE 19 H PHE 19 3.264 2.051 -1.340
126 HA PHE 19 HA PHE 19 5.242 0.676 0.438
127 HB2 PHE 19 1HB PHE 19 3.234 -0.677 -1.379
128 HB3 PHE 19 2HB PHE 19 4.398 -1.485 -0.358
129 HD1 PHE 19 1HD PHE 19 4.148 -1.519 2.131
130 HD2 PHE 19 2HD PHE 19 1.190 0.312 -0.408
131 HE1 PHE 19 1HE PHE 19 2.585 -1.382 4.054
132 HE2 PHE 19 2HE PHE 19 -0.368 0.484 1.531
133 HZ PHE 19 HZ PHE 19 0.337 -0.359 3.767
134 H LYS 20 H LYS 20 6.774 -0.657 -0.634
135 HA LYS 20 HA LYS 20 7.920 0.678 -2.954
136 HB2 LYS 20 1HB LYS 20 8.854 -1.707 -1.292
137 HB3 LYS 20 2HB LYS 20 9.798 -0.931 -2.565
138 HG2 LYS 20 1HG LYS 20 9.706 1.228 -1.299
139 HG3 LYS 20 2HG LYS 20 8.834 0.401 0.006
140 HD2 LYS 20 1HD LYS 20 10.756 -1.138 0.317
141 HD3 LYS 20 2HD LYS 20 11.634 -0.301 -0.982
142 HE2 LYS 20 1HE LYS 20 11.516 1.819 0.309
143 HE3 LYS 20 2HE LYS 20 10.638 0.990 1.601
144 HZ1 LYS 20 3HZ LYS 20 13.009 1.144 2.102
145 HZ2 LYS 20 1HZ LYS 20 13.409 0.341 0.739
146 HZ3 LYS 20 2HZ LYS 20 12.597 -0.424 1.933
147 H ASN 21 H ASN 21 6.341 -2.440 -2.455
148 HA ASN 21 HA ASN 21 6.400 -2.880 -5.406
149 HB2 ASN 21 1HB ASN 21 6.549 -5.350 -4.947
150 HB3 ASN 21 2HB ASN 21 8.011 -4.464 -4.591
151 HD21 ASN 21 1HD2 ASN 21 8.735 -4.324 -2.428
152 HD22 ASN 21 2HD2 ASN 21 7.838 -5.058 -1.087
153 H GLU 22 H GLU 22 4.707 -4.198 -6.206
154 HA GLU 22 HA GLU 22 2.136 -3.320 -5.407
155 HB2 GLU 22 1HB GLU 22 2.933 -4.162 -7.697
156 HB3 GLU 22 2HB GLU 22 2.778 -5.797 -7.068
157 HG2 GLU 22 1HG GLU 22 0.368 -5.418 -6.660
158 HG3 GLU 22 2HG GLU 22 0.524 -3.738 -7.176
159 H LEU 23 H LEU 23 3.891 -6.313 -4.729
160 HA LEU 23 HA LEU 23 1.868 -7.824 -3.447
161 HB2 LEU 23 1HB LEU 23 3.878 -8.861 -4.145
162 HB3 LEU 23 2HB LEU 23 4.904 -7.739 -3.254
163 HG LEU 23 HG LEU 23 4.059 -8.710 -1.096
164 HD11 LEU 23 1HD1 LEU 23 2.615 -10.706 -2.895
165 HD12 LEU 23 2HD1 LEU 23 1.850 -9.542 -1.788
166 HD13 LEU 23 3HD1 LEU 23 2.827 -10.855 -1.135
167 HD21 LEU 23 3HD2 LEU 23 6.112 -9.570 -2.153
168 HD22 LEU 23 1HD2 LEU 23 5.155 -10.767 -3.055
169 HD23 LEU 23 2HD2 LEU 23 5.248 -10.846 -1.280
170 H ASP 24 H ASP 24 4.305 -5.638 -1.918
171 HA ASP 24 HA ASP 24 3.380 -5.967 0.715
172 HB2 ASP 24 1HB ASP 24 5.062 -3.875 -0.638
173 HB3 ASP 24 2HB ASP 24 4.526 -3.635 1.019
174 H ARG 25 H ARG 25 2.201 -3.791 -1.756
175 HA ARG 25 HA ARG 25 0.356 -2.391 0.078
176 HB2 ARG 25 1HB ARG 25 1.383 -1.375 -1.992
177 HB3 ARG 25 2HB ARG 25 0.416 -2.405 -2.970
178 HG2 ARG 25 1HG ARG 25 -0.755 -0.443 -0.906
179 HG3 ARG 25 2HG ARG 25 -0.361 0.018 -2.560
180 HD2 ARG 25 1HD ARG 25 -2.476 -1.909 -1.613
181 HD3 ARG 25 2HD ARG 25 -2.695 -0.382 -2.430
182 HE ARG 25 HE ARG 25 -1.402 -2.784 -3.635
183 HH11 ARG 25 2HH1 ARG 25 -2.964 0.286 -4.293
184 HH12 ARG 25 1HH1 ARG 25 -3.386 -0.189 -5.920
185 HH21 ARG 25 2HH2 ARG 25 -2.212 -3.422 -5.543
186 HH22 ARG 25 1HH2 ARG 25 -2.867 -2.241 -6.673
187 H ASP 26 H ASP 26 0.089 -4.981 -2.377
188 HA ASP 26 HA ASP 26 -2.723 -5.269 -2.192
189 HB2 ASP 26 1HB ASP 26 -0.462 -7.067 -3.114
190 HB3 ASP 26 2HB ASP 26 -2.091 -7.692 -2.986
191 H ARG 27 H ARG 27 -0.143 -6.917 -0.275
192 HA ARG 27 HA ARG 27 -2.064 -8.410 1.319
193 HB2 ARG 27 1HB ARG 27 -0.271 -9.000 2.759
194 HB3 ARG 27 2HB ARG 27 0.217 -9.188 1.073
195 HG2 ARG 27 1HG ARG 27 1.515 -7.125 1.171
196 HG3 ARG 27 2HG ARG 27 0.933 -6.755 2.772
197 HD2 ARG 27 1HD ARG 27 2.021 -8.920 3.573
198 HD3 ARG 27 2HD ARG 27 2.682 -9.114 1.950
199 HE ARG 27 HE ARG 27 4.181 -7.307 2.299
200 HH11 ARG 27 1HH1 ARG 27 2.197 -7.637 5.193
201 HH12 ARG 27 2HH1 ARG 27 3.265 -6.601 6.101
202 HH21 ARG 27 2HH2 ARG 27 5.383 -6.079 3.416
203 HH22 ARG 27 1HH2 ARG 27 5.084 -5.720 5.121
204 H HIS 28 H HIS 28 -0.963 -5.103 1.548
205 HA HIS 28 HA HIS 28 -2.106 -4.672 4.223
206 HB2 HIS 28 1HB HIS 28 -0.359 -3.205 3.621
207 HB3 HIS 28 2HB HIS 28 -1.025 -2.868 2.033
208 HD1 HIS 28 1HD HIS 28 -1.652 -1.961 5.702
209 HD2 HIS 28 2HD HIS 28 -2.978 -1.071 1.810
210 HE1 HIS 28 1HE HIS 28 -3.214 0.017 5.942
211 H MET 29 H MET 29 -3.397 -4.434 0.836
212 HA MET 29 HA MET 29 -5.811 -3.146 1.557
213 HB2 MET 29 1HB MET 29 -5.454 -5.275 -0.577
214 HB3 MET 29 2HB MET 29 -6.796 -4.145 -0.454
215 HG2 MET 29 1HG MET 29 -3.906 -3.440 -0.982
216 HG3 MET 29 2HG MET 29 -5.208 -3.437 -2.148
217 HE1 MET 29 3HE MET 29 -7.120 -0.269 -1.701
218 HE2 MET 29 1HE MET 29 -6.741 -1.692 -2.681
219 HE3 MET 29 2HE MET 29 -7.642 -1.876 -1.155
220 H LEU 30 H LEU 30 -4.857 -6.420 2.250
221 HA LEU 30 HA LEU 30 -7.370 -7.649 2.753
222 HB2 LEU 30 1HB LEU 30 -4.769 -8.030 4.287
223 HB3 LEU 30 2HB LEU 30 -6.108 -9.162 4.206
224 HG LEU 30 HG LEU 30 -4.292 -8.383 1.884
225 HD11 LEU 30 1HD1 LEU 30 -3.454 -10.682 2.074
226 HD12 LEU 30 2HD1 LEU 30 -4.536 -10.981 3.454
227 HD13 LEU 30 3HD1 LEU 30 -3.211 -9.805 3.594
228 HD21 LEU 30 3HD2 LEU 30 -6.522 -8.948 1.029
229 HD22 LEU 30 1HD2 LEU 30 -6.516 -10.457 1.976
230 HD23 LEU 30 2HD2 LEU 30 -5.353 -10.218 0.651
231 H VAL 31 H VAL 31 -5.566 -5.274 4.736
232 HA VAL 31 HA VAL 31 -7.035 -5.787 7.163
233 HB VAL 31 HB VAL 31 -6.012 -3.968 8.121
234 HG11 VAL 31 1HG1 VAL 31 -4.422 -5.738 7.497
235 HG12 VAL 31 2HG1 VAL 31 -3.971 -4.802 6.056
236 HG13 VAL 31 3HG1 VAL 31 -3.679 -4.138 7.669
237 HG21 VAL 31 3HG2 VAL 31 -5.640 -2.686 5.415
238 HG22 VAL 31 1HG2 VAL 31 -6.545 -2.095 6.811
239 HG23 VAL 31 2HG2 VAL 31 -4.784 -2.158 6.879
240 H HIS 32 H HIS 32 -7.830 -4.033 4.330
241 HA HIS 32 HA HIS 32 -10.093 -2.574 5.547
242 HB2 HIS 32 1HB HIS 32 -9.074 -2.627 2.684
243 HB3 HIS 32 2HB HIS 32 -10.287 -1.531 3.344
244 HD1 HIS 32 1HD HIS 32 -9.059 -0.304 5.819
245 HD2 HIS 32 2HD HIS 32 -6.799 -1.390 2.440
246 HE1 HIS 32 1HE HIS 32 -6.907 1.017 5.986
247 H GLY 33 H GLY 33 -9.644 -5.691 4.414
248 HA2 GLY 33 1HA GLY 33 -12.132 -6.181 3.022
249 HA3 GLY 33 2HA GLY 33 -11.080 -7.389 3.758
250 H ASP 34 H ASP 34 -14.067 -6.959 3.756
251 HA ASP 34 HA ASP 34 -14.680 -6.614 6.646
252 HB2 ASP 34 1HB ASP 34 -15.795 -5.258 4.859
253 HB3 ASP 34 2HB ASP 34 -16.510 -6.742 4.229
254 H LYS 35 H LYS 35 -14.083 -9.192 4.582
255 HA LYS 35 HA LYS 35 -16.188 -11.017 5.342
256 HB2 LYS 35 1HB LYS 35 -14.955 -10.986 3.166
257 HB3 LYS 35 2HB LYS 35 -13.492 -11.498 3.997
258 HG2 LYS 35 1HG LYS 35 -14.529 -13.329 2.798
259 HG3 LYS 35 2HG LYS 35 -14.507 -13.671 4.522
260 HD2 LYS 35 1HD LYS 35 -16.904 -13.037 4.691
261 HD3 LYS 35 2HD LYS 35 -16.940 -12.647 2.968
262 HE2 LYS 35 1HE LYS 35 -16.290 -15.394 4.140
263 HE3 LYS 35 2HE LYS 35 -17.898 -14.894 3.615
264 HZ1 LYS 35 3HZ LYS 35 -16.782 -16.118 1.865
265 HZ2 LYS 35 1HZ LYS 35 -15.523 -15.085 1.842
266 HZ3 LYS 35 2HZ LYS 35 -17.006 -14.582 1.367
267 H TRP 36 H TRP 36 -13.280 -10.169 6.936
268 HA TRP 36 HA TRP 36 -12.499 -12.649 8.057
269 HB2 TRP 36 1HB TRP 36 -11.947 -9.912 9.192
270 HB3 TRP 36 2HB TRP 36 -11.018 -11.384 9.444
271 HD1 TRP 36 1HD TRP 36 -10.831 -8.350 7.638
272 HE1 TRP 36 1HE TRP 36 -9.248 -8.440 5.610
273 HE3 TRP 36 3HE TRP 36 -10.458 -13.435 7.138
274 HZ2 TRP 36 2HZ TRP 36 -8.148 -10.461 3.875
275 HZ3 TRP 36 3HZ TRP 36 -9.146 -14.415 5.271
276 HH2 TRP 36 2HH TRP 36 -7.990 -12.943 3.635
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 3.291 18.270 -2.131
2 H2 GLY 1 2H GLY 1 4.799 18.908 -2.127
3 H3 GLY 1 3H GLY 1 3.725 19.340 -0.965
4 HA2 GLY 1 1HA GLY 1 5.339 17.800 -0.062
5 HA3 GLY 1 2HA GLY 1 3.699 17.120 -0.053
6 H SER 2 H SER 2 5.926 15.511 0.083
7 HA SER 2 HA SER 2 7.033 13.749 -0.725
8 HB2 SER 2 1HB SER 2 5.941 12.156 -2.013
9 HB3 SER 2 2HB SER 2 4.669 13.008 -1.142
10 HG SER 2 HG SER 2 4.479 14.323 -3.130
11 H SER 3 H SER 3 7.801 12.600 -2.995
12 HA SER 3 HA SER 3 8.886 14.626 -4.850
13 HB2 SER 3 1HB SER 3 10.542 14.600 -3.053
14 HB3 SER 3 2HB SER 3 10.650 12.831 -3.137
15 HG SER 3 HG SER 3 12.305 14.065 -4.316
16 H GLY 4 H GLY 4 9.429 13.817 -6.841
17 HA2 GLY 4 1HA GLY 4 8.425 11.259 -7.728
18 HA3 GLY 4 2HA GLY 4 9.429 12.388 -8.648
19 H SER 5 H SER 5 11.454 12.164 -6.267
20 HA SER 5 HA SER 5 12.967 9.854 -7.271
21 HB2 SER 5 1HB SER 5 13.651 11.891 -5.126
22 HB3 SER 5 2HB SER 5 14.757 10.693 -5.823
23 HG SER 5 HG SER 5 14.957 12.756 -6.825
24 H SER 6 H SER 6 10.481 9.918 -5.127
25 HA SER 6 HA SER 6 11.448 8.549 -2.825
26 HB2 SER 6 1HB SER 6 9.299 9.707 -2.915
27 HB3 SER 6 2HB SER 6 8.683 8.528 -4.090
28 HG SER 6 HG SER 6 8.146 8.169 -1.801
29 H GLY 7 H GLY 7 11.360 6.422 -2.177
30 HA2 GLY 7 1HA GLY 7 11.795 4.281 -4.120
31 HA3 GLY 7 2HA GLY 7 11.725 4.159 -2.349
32 H LEU 8 H LEU 8 8.949 5.685 -2.942
33 HA LEU 8 HA LEU 8 7.431 3.159 -2.688
34 HB2 LEU 8 1HB LEU 8 6.701 6.046 -2.105
35 HB3 LEU 8 2HB LEU 8 5.685 4.646 -1.766
36 HG LEU 8 HG LEU 8 8.468 5.022 -0.544
37 HD11 LEU 8 1HD1 LEU 8 7.305 5.732 1.484
38 HD12 LEU 8 2HD1 LEU 8 5.751 5.722 0.606
39 HD13 LEU 8 3HD1 LEU 8 7.040 6.851 0.138
40 HD21 LEU 8 3HD2 LEU 8 7.665 2.680 -0.546
41 HD22 LEU 8 1HD2 LEU 8 6.144 3.207 0.209
42 HD23 LEU 8 2HD2 LEU 8 7.678 3.353 1.088
43 H LEU 9 H LEU 9 6.179 2.402 -4.148
44 HA LEU 9 HA LEU 9 5.628 3.985 -6.639
45 HB2 LEU 9 1HB LEU 9 6.327 1.064 -6.177
46 HB3 LEU 9 2HB LEU 9 5.782 1.697 -7.720
47 HG LEU 9 HG LEU 9 8.332 2.522 -6.251
48 HD11 LEU 9 1HD1 LEU 9 8.400 0.236 -7.174
49 HD12 LEU 9 2HD1 LEU 9 9.479 1.321 -8.061
50 HD13 LEU 9 3HD1 LEU 9 7.914 0.854 -8.766
51 HD21 LEU 9 3HD2 LEU 9 7.550 4.402 -7.615
52 HD22 LEU 9 1HD2 LEU 9 7.295 3.322 -9.008
53 HD23 LEU 9 2HD2 LEU 9 8.935 3.640 -8.397
54 H TYR 10 H TYR 10 4.157 1.935 -4.226
55 HA TYR 10 HA TYR 10 1.568 1.936 -5.730
56 HB2 TYR 10 1HB TYR 10 2.640 -0.182 -3.835
57 HB3 TYR 10 2HB TYR 10 1.101 -0.218 -4.661
58 HD1 TYR 10 1HD TYR 10 4.767 -0.471 -5.110
59 HD2 TYR 10 2HD TYR 10 0.927 -0.724 -7.053
60 HE1 TYR 10 1HE TYR 10 5.861 -1.397 -7.158
61 HE2 TYR 10 2HE TYR 10 2.009 -1.680 -9.076
62 HH TYR 10 HH TYR 10 3.983 -2.294 -10.073
63 H ASP 11 H ASP 11 -0.307 2.382 -4.650
64 HA ASP 11 HA ASP 11 -0.078 3.361 -1.847
65 HB2 ASP 11 1HB ASP 11 -1.245 5.347 -2.393
66 HB3 ASP 11 2HB ASP 11 0.127 5.207 -3.482
67 H CYS 12 H CYS 12 -1.785 3.328 -0.559
68 HA CYS 12 HA CYS 12 -3.982 1.450 -1.073
69 HB2 CYS 12 1HB CYS 12 -2.777 1.393 1.021
70 HB3 CYS 12 2HB CYS 12 -3.080 3.118 1.297
71 H HIS 13 H HIS 13 -6.014 2.002 -1.599
72 HA HIS 13 HA HIS 13 -6.728 4.858 -1.910
73 HB2 HIS 13 1HB HIS 13 -8.559 4.096 -3.286
74 HB3 HIS 13 2HB HIS 13 -7.017 3.475 -3.843
75 HD1 HIS 13 1HD HIS 13 -6.896 0.873 -4.176
76 HD2 HIS 13 2HD HIS 13 -10.228 2.249 -2.006
77 HE1 HIS 13 1HE HIS 13 -8.444 -1.134 -3.894
78 H ILE 14 H ILE 14 -6.878 2.879 0.667
79 HA ILE 14 HA ILE 14 -9.570 3.819 1.599
80 HB ILE 14 HB ILE 14 -7.785 1.762 2.869
81 HG12 ILE 14 1HG1 ILE 14 -8.437 0.918 0.661
82 HG13 ILE 14 2HG1 ILE 14 -9.148 0.013 1.970
83 HG21 ILE 14 1HG2 ILE 14 -10.677 2.560 3.352
84 HG22 ILE 14 2HG2 ILE 14 -9.931 1.095 4.018
85 HG23 ILE 14 3HG2 ILE 14 -9.313 2.679 4.480
86 HD11 ILE 14 3HD1 ILE 14 -10.626 2.097 0.348
87 HD12 ILE 14 1HD1 ILE 14 -10.695 0.331 0.122
88 HD13 ILE 14 2HD1 ILE 14 -11.313 1.048 1.618
89 H CYS 15 H CYS 15 -6.126 3.699 2.543
90 HA CYS 15 HA CYS 15 -6.595 5.838 4.560
91 HB2 CYS 15 1HB CYS 15 -5.312 4.767 6.171
92 HB3 CYS 15 2HB CYS 15 -6.582 3.675 5.632
93 H GLU 16 H GLU 16 -5.058 5.289 1.800
94 HA GLU 16 HA GLU 16 -3.525 6.413 0.628
95 HB2 GLU 16 1HB GLU 16 -4.743 8.230 2.193
96 HB3 GLU 16 2HB GLU 16 -3.079 8.490 2.714
97 HG2 GLU 16 1HG GLU 16 -2.453 8.723 0.246
98 HG3 GLU 16 2HG GLU 16 -4.168 8.584 -0.140
99 H ARG 17 H ARG 17 -2.549 4.688 3.144
100 HA ARG 17 HA ARG 17 0.271 5.238 3.367
101 HB2 ARG 17 1HB ARG 17 -1.394 2.719 3.757
102 HB3 ARG 17 2HB ARG 17 0.360 2.735 3.989
103 HG2 ARG 17 1HG ARG 17 0.189 4.502 5.683
104 HG3 ARG 17 2HG ARG 17 -1.568 4.567 5.451
105 HD2 ARG 17 1HD ARG 17 -1.708 2.163 6.106
106 HD3 ARG 17 2HD ARG 17 0.029 2.143 6.377
107 HE ARG 17 HE ARG 17 -0.211 3.273 8.374
108 HH11 ARG 17 2HH1 ARG 17 -3.390 3.459 6.789
109 HH12 ARG 17 1HH1 ARG 17 -4.121 4.031 8.258
110 HH21 ARG 17 2HH2 ARG 17 -1.269 4.035 10.145
111 HH22 ARG 17 1HH2 ARG 17 -2.973 4.369 10.074
112 H LYS 18 H LYS 18 1.963 3.825 2.627
113 HA LYS 18 HA LYS 18 1.684 3.102 -0.259
114 HB2 LYS 18 1HB LYS 18 3.548 5.266 0.785
115 HB3 LYS 18 2HB LYS 18 3.567 4.593 -0.862
116 HG2 LYS 18 1HG LYS 18 1.168 5.277 -1.113
117 HG3 LYS 18 2HG LYS 18 1.291 6.102 0.457
118 HD2 LYS 18 1HD LYS 18 3.044 7.579 -0.412
119 HD3 LYS 18 2HD LYS 18 3.022 6.697 -1.959
120 HE2 LYS 18 1HE LYS 18 1.703 8.665 -2.251
121 HE3 LYS 18 2HE LYS 18 0.648 7.240 -2.253
122 HZ1 LYS 18 3HZ LYS 18 -0.278 9.064 -0.896
123 HZ2 LYS 18 1HZ LYS 18 1.036 9.075 0.066
124 HZ3 LYS 18 2HZ LYS 18 0.035 7.781 0.072
125 H PHE 19 H PHE 19 3.291 2.071 -1.269
126 HA PHE 19 HA PHE 19 5.258 0.598 0.448
127 HB2 PHE 19 1HB PHE 19 3.225 -0.658 -1.415
128 HB3 PHE 19 2HB PHE 19 4.360 -1.509 -0.395
129 HD1 PHE 19 1HD PHE 19 4.066 -1.612 2.079
130 HD2 PHE 19 2HD PHE 19 1.197 0.384 -0.444
131 HE1 PHE 19 1HE PHE 19 2.495 -1.443 3.995
132 HE2 PHE 19 2HE PHE 19 -0.358 0.591 1.488
133 HZ PHE 19 HZ PHE 19 0.299 -0.313 3.711
134 H LYS 20 H LYS 20 6.798 -0.685 -0.647
135 HA LYS 20 HA LYS 20 7.926 0.584 -3.015
136 HB2 LYS 20 1HB LYS 20 8.814 -1.917 -1.501
137 HB3 LYS 20 2HB LYS 20 9.747 -1.044 -2.718
138 HG2 LYS 20 1HG LYS 20 9.651 1.000 -1.217
139 HG3 LYS 20 2HG LYS 20 8.899 -0.031 0.023
140 HD2 LYS 20 1HD LYS 20 10.883 -1.514 0.006
141 HD3 LYS 20 2HD LYS 20 11.642 -0.488 -1.234
142 HE2 LYS 20 1HE LYS 20 11.555 1.450 0.322
143 HE3 LYS 20 2HE LYS 20 10.806 0.430 1.556
144 HZ1 LYS 20 3HZ LYS 20 13.203 0.612 1.899
145 HZ2 LYS 20 1HZ LYS 20 13.520 0.003 0.418
146 HZ3 LYS 20 2HZ LYS 20 12.826 -0.938 1.560
147 H ASN 21 H ASN 21 6.275 -2.462 -2.395
148 HA ASN 21 HA ASN 21 6.375 -3.134 -5.311
149 HB2 ASN 21 1HB ASN 21 6.118 -5.098 -3.006
150 HB3 ASN 21 2HB ASN 21 6.304 -5.480 -4.711
151 HD21 ASN 21 1HD2 ASN 21 7.907 -4.814 -1.774
152 HD22 ASN 21 2HD2 ASN 21 9.541 -4.931 -2.417
153 H GLU 22 H GLU 22 4.586 -4.222 -6.184
154 HA GLU 22 HA GLU 22 1.991 -3.233 -5.446
155 HB2 GLU 22 1HB GLU 22 2.806 -4.068 -7.744
156 HB3 GLU 22 2HB GLU 22 2.604 -5.705 -7.130
157 HG2 GLU 22 1HG GLU 22 0.198 -5.259 -6.730
158 HG3 GLU 22 2HG GLU 22 0.405 -3.586 -7.248
159 H LEU 23 H LEU 23 3.675 -6.292 -4.856
160 HA LEU 23 HA LEU 23 1.664 -7.762 -3.521
161 HB2 LEU 23 1HB LEU 23 3.675 -8.811 -4.259
162 HB3 LEU 23 2HB LEU 23 4.693 -7.711 -3.325
163 HG LEU 23 HG LEU 23 3.877 -8.713 -1.211
164 HD11 LEU 23 1HD1 LEU 23 2.400 -10.675 -3.021
165 HD12 LEU 23 2HD1 LEU 23 1.654 -9.522 -1.888
166 HD13 LEU 23 3HD1 LEU 23 2.632 -10.851 -1.265
167 HD21 LEU 23 3HD2 LEU 23 5.064 -10.842 -1.442
168 HD22 LEU 23 1HD2 LEU 23 5.915 -9.547 -2.298
169 HD23 LEU 23 2HD2 LEU 23 4.956 -10.732 -3.214
170 H ASP 24 H ASP 24 4.163 -5.581 -2.049
171 HA ASP 24 HA ASP 24 3.314 -5.993 0.621
172 HB2 ASP 24 1HB ASP 24 4.823 -3.730 -0.703
173 HB3 ASP 24 2HB ASP 24 4.522 -3.789 1.038
174 H ARG 25 H ARG 25 2.101 -3.738 -1.768
175 HA ARG 25 HA ARG 25 0.315 -2.335 0.107
176 HB2 ARG 25 1HB ARG 25 1.341 -1.333 -1.973
177 HB3 ARG 25 2HB ARG 25 0.360 -2.346 -2.944
178 HG2 ARG 25 1HG ARG 25 -0.801 -0.374 -0.890
179 HG3 ARG 25 2HG ARG 25 -0.376 0.093 -2.538
180 HD2 ARG 25 1HD ARG 25 -2.520 -1.833 -1.646
181 HD3 ARG 25 2HD ARG 25 -2.721 -0.285 -2.441
182 HE ARG 25 HE ARG 25 -1.450 -2.698 -3.649
183 HH11 ARG 25 2HH1 ARG 25 -2.885 0.427 -4.326
184 HH12 ARG 25 1HH1 ARG 25 -3.280 -0.025 -5.967
185 HH21 ARG 25 2HH2 ARG 25 -2.243 -3.302 -5.563
186 HH22 ARG 25 1HH2 ARG 25 -2.822 -2.100 -6.712
187 H ASP 26 H ASP 26 -0.033 -4.894 -2.359
188 HA ASP 26 HA ASP 26 -2.846 -5.154 -2.144
189 HB2 ASP 26 1HB ASP 26 -0.619 -6.976 -3.101
190 HB3 ASP 26 2HB ASP 26 -2.260 -7.571 -2.970
191 H ARG 27 H ARG 27 -0.251 -6.835 -0.301
192 HA ARG 27 HA ARG 27 -2.119 -8.357 1.322
193 HB2 ARG 27 1HB ARG 27 -0.281 -8.993 2.676
194 HB3 ARG 27 2HB ARG 27 0.152 -9.125 0.969
195 HG2 ARG 27 1HG ARG 27 1.438 -7.048 1.103
196 HG3 ARG 27 2HG ARG 27 0.930 -6.765 2.741
197 HD2 ARG 27 1HD ARG 27 2.088 -8.922 3.407
198 HD3 ARG 27 2HD ARG 27 2.618 -9.102 1.736
199 HE ARG 27 HE ARG 27 4.222 -7.410 2.022
200 HH11 ARG 27 2HH1 ARG 27 2.286 -7.493 4.960
201 HH12 ARG 27 1HH1 ARG 27 3.392 -6.429 5.786
202 HH21 ARG 27 2HH2 ARG 27 5.476 -6.096 3.046
203 HH22 ARG 27 1HH2 ARG 27 5.208 -5.656 4.732
204 H HIS 28 H HIS 28 -1.050 -5.064 1.560
205 HA HIS 28 HA HIS 28 -2.055 -4.691 4.308
206 HB2 HIS 28 1HB HIS 28 -0.318 -3.230 3.675
207 HB3 HIS 28 2HB HIS 28 -1.035 -2.857 2.120
208 HD1 HIS 28 1HD HIS 28 -1.566 -2.016 5.833
209 HD2 HIS 28 2HD HIS 28 -2.869 -0.973 1.973
210 HE1 HIS 28 1HE HIS 28 -3.006 0.048 6.128
211 H MET 29 H MET 29 -3.490 -4.266 0.986
212 HA MET 29 HA MET 29 -5.876 -3.065 1.885
213 HB2 MET 29 1HB MET 29 -5.730 -5.104 -0.352
214 HB3 MET 29 2HB MET 29 -6.928 -3.838 -0.131
215 HG2 MET 29 1HG MET 29 -4.036 -3.550 -0.925
216 HG3 MET 29 2HG MET 29 -5.450 -3.135 -1.865
217 HE1 MET 29 3HE MET 29 -6.827 -1.032 -1.658
218 HE2 MET 29 1HE MET 29 -7.298 -1.360 0.026
219 HE3 MET 29 2HE MET 29 -6.633 0.229 -0.422
220 H LEU 30 H LEU 30 -4.870 -6.358 2.360
221 HA LEU 30 HA LEU 30 -7.341 -7.641 2.938
222 HB2 LEU 30 1HB LEU 30 -4.651 -8.069 4.294
223 HB3 LEU 30 2HB LEU 30 -5.985 -9.201 4.228
224 HG LEU 30 HG LEU 30 -4.309 -8.306 1.852
225 HD11 LEU 30 1HD1 LEU 30 -4.459 -10.977 3.312
226 HD12 LEU 30 2HD1 LEU 30 -3.131 -9.802 3.437
227 HD13 LEU 30 3HD1 LEU 30 -3.453 -10.608 1.892
228 HD21 LEU 30 3HD2 LEU 30 -6.574 -8.842 1.097
229 HD22 LEU 30 1HD2 LEU 30 -6.525 -10.385 1.995
230 HD23 LEU 30 2HD2 LEU 30 -5.433 -10.105 0.613
231 H VAL 31 H VAL 31 -5.519 -5.297 4.886
232 HA VAL 31 HA VAL 31 -6.896 -5.915 7.370
233 HB VAL 31 HB VAL 31 -5.835 -4.148 8.358
234 HG11 VAL 31 1HG1 VAL 31 -4.267 -5.896 7.638
235 HG12 VAL 31 2HG1 VAL 31 -3.842 -4.911 6.222
236 HG13 VAL 31 3HG1 VAL 31 -3.514 -4.305 7.852
237 HG21 VAL 31 3HG2 VAL 31 -4.617 -2.301 7.145
238 HG22 VAL 31 1HG2 VAL 31 -5.546 -2.757 5.702
239 HG23 VAL 31 2HG2 VAL 31 -6.377 -2.220 7.164
240 H HIS 32 H HIS 32 -7.713 -4.052 4.596
241 HA HIS 32 HA HIS 32 -9.945 -2.613 5.925
242 HB2 HIS 32 1HB HIS 32 -8.955 -2.473 3.058
243 HB3 HIS 32 2HB HIS 32 -10.084 -1.378 3.844
244 HD1 HIS 32 1HD HIS 32 -8.592 -0.423 6.366
245 HD2 HIS 32 2HD HIS 32 -6.851 -1.089 2.600
246 HE1 HIS 32 1HE HIS 32 -6.509 1.028 6.312
247 H GLY 33 H GLY 33 -9.395 -5.272 3.662
248 HA2 GLY 33 1HA GLY 33 -11.859 -5.319 2.327
249 HA3 GLY 33 2HA GLY 33 -10.791 -6.702 2.524
250 H ASP 34 H ASP 34 -13.757 -6.422 2.505
251 HA ASP 34 HA ASP 34 -14.621 -7.231 5.208
252 HB2 ASP 34 1HB ASP 34 -16.147 -6.733 2.626
253 HB3 ASP 34 2HB ASP 34 -16.891 -7.132 4.170
254 H LYS 35 H LYS 35 -13.193 -8.971 2.848
255 HA LYS 35 HA LYS 35 -15.044 -11.156 2.478
256 HB2 LYS 35 1HB LYS 35 -13.340 -12.135 1.096
257 HB3 LYS 35 2HB LYS 35 -13.478 -10.415 0.747
258 HG2 LYS 35 1HG LYS 35 -11.433 -9.971 2.108
259 HG3 LYS 35 2HG LYS 35 -11.304 -11.704 2.468
260 HD2 LYS 35 1HD LYS 35 -11.092 -12.189 0.038
261 HD3 LYS 35 2HD LYS 35 -11.197 -10.451 -0.313
262 HE2 LYS 35 1HE LYS 35 -9.150 -10.054 1.035
263 HE3 LYS 35 2HE LYS 35 -9.055 -11.780 1.409
264 HZ1 LYS 35 3HZ LYS 35 -8.783 -12.212 -0.980
265 HZ2 LYS 35 1HZ LYS 35 -7.608 -11.211 -0.458
266 HZ3 LYS 35 2HZ LYS 35 -8.860 -10.618 -1.323
267 H TRP 36 H TRP 36 -13.207 -10.575 5.168
268 HA TRP 36 HA TRP 36 -12.279 -13.217 5.869
269 HB2 TRP 36 1HB TRP 36 -12.856 -10.760 7.559
270 HB3 TRP 36 2HB TRP 36 -12.092 -12.227 8.149
271 HD1 TRP 36 1HD TRP 36 -11.273 -8.982 6.581
272 HE1 TRP 36 1HE TRP 36 -8.775 -8.826 6.008
273 HE3 TRP 36 3HE TRP 36 -10.014 -13.915 7.161
274 HZ2 TRP 36 2HZ TRP 36 -6.500 -10.611 5.921
275 HZ3 TRP 36 3HZ TRP 36 -7.667 -14.658 6.819
276 HH2 TRP 36 2HH TRP 36 -5.904 -13.018 6.202
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 23.618 6.248 4.747
2 H2 GLY 1 2H GLY 1 23.027 5.324 5.965
3 H3 GLY 1 3H GLY 1 22.356 6.783 5.645
4 HA2 GLY 1 1HA GLY 1 21.571 6.033 3.501
5 HA3 GLY 1 2HA GLY 1 22.311 4.456 3.831
6 H SER 2 H SER 2 19.545 4.929 3.236
7 HA SER 2 HA SER 2 18.266 3.619 5.549
8 HB2 SER 2 1HB SER 2 16.465 5.193 5.738
9 HB3 SER 2 2HB SER 2 17.972 6.105 5.886
10 HG SER 2 HG SER 2 16.571 7.172 4.470
11 H SER 3 H SER 3 15.875 3.109 4.936
12 HA SER 3 HA SER 3 15.677 1.629 2.522
13 HB2 SER 3 1HB SER 3 13.430 2.744 4.242
14 HB3 SER 3 2HB SER 3 13.319 1.389 3.103
15 HG SER 3 HG SER 3 13.608 0.680 5.274
16 H GLY 4 H GLY 4 15.445 5.030 2.890
17 HA2 GLY 4 1HA GLY 4 13.668 5.636 0.668
18 HA3 GLY 4 2HA GLY 4 14.748 6.743 1.520
19 H SER 5 H SER 5 16.647 4.140 0.532
20 HA SER 5 HA SER 5 18.073 5.484 -1.528
21 HB2 SER 5 1HB SER 5 19.113 3.271 -1.901
22 HB3 SER 5 2HB SER 5 19.045 3.708 -0.185
23 HG SER 5 HG SER 5 18.376 1.541 -0.545
24 H SER 6 H SER 6 15.150 3.601 -1.705
25 HA SER 6 HA SER 6 14.842 4.375 -4.526
26 HB2 SER 6 1HB SER 6 13.894 2.181 -5.162
27 HB3 SER 6 2HB SER 6 15.623 2.123 -4.793
28 HG SER 6 HG SER 6 14.610 0.386 -3.828
29 H GLY 7 H GLY 7 12.680 4.662 -5.168
30 HA2 GLY 7 1HA GLY 7 11.103 5.811 -3.049
31 HA3 GLY 7 2HA GLY 7 10.712 5.797 -4.765
32 H LEU 8 H LEU 8 8.744 5.739 -3.092
33 HA LEU 8 HA LEU 8 7.654 2.981 -2.953
34 HB2 LEU 8 1HB LEU 8 6.367 5.616 -2.172
35 HB3 LEU 8 2HB LEU 8 5.730 3.999 -1.874
36 HG LEU 8 HG LEU 8 8.264 5.175 -0.641
37 HD11 LEU 8 1HD1 LEU 8 6.071 6.123 0.150
38 HD12 LEU 8 2HD1 LEU 8 7.007 5.284 1.405
39 HD13 LEU 8 3HD1 LEU 8 5.612 4.482 0.658
40 HD21 LEU 8 3HD2 LEU 8 8.230 3.175 0.823
41 HD22 LEU 8 1HD2 LEU 8 8.484 2.722 -0.865
42 HD23 LEU 8 2HD2 LEU 8 6.883 2.505 -0.119
43 H LEU 9 H LEU 9 6.080 2.283 -4.238
44 HA LEU 9 HA LEU 9 5.522 3.840 -6.750
45 HB2 LEU 9 1HB LEU 9 6.192 0.917 -6.272
46 HB3 LEU 9 2HB LEU 9 5.607 1.538 -7.806
47 HG LEU 9 HG LEU 9 8.213 2.344 -6.429
48 HD11 LEU 9 1HD1 LEU 9 8.222 0.042 -7.311
49 HD12 LEU 9 2HD1 LEU 9 9.290 1.095 -8.251
50 HD13 LEU 9 3HD1 LEU 9 7.696 0.638 -8.900
51 HD21 LEU 9 3HD2 LEU 9 8.768 3.419 -8.610
52 HD22 LEU 9 1HD2 LEU 9 7.414 4.212 -7.805
53 HD23 LEU 9 2HD2 LEU 9 7.110 3.110 -9.168
54 H TYR 10 H TYR 10 4.088 1.858 -4.272
55 HA TYR 10 HA TYR 10 1.474 1.834 -5.725
56 HB2 TYR 10 1HB TYR 10 2.577 -0.229 -3.794
57 HB3 TYR 10 2HB TYR 10 1.020 -0.289 -4.596
58 HD1 TYR 10 1HD TYR 10 4.668 -0.619 -5.060
59 HD2 TYR 10 2HD TYR 10 0.826 -0.754 -7.016
60 HE1 TYR 10 1HE TYR 10 5.745 -1.534 -7.118
61 HE2 TYR 10 2HE TYR 10 1.896 -1.688 -9.057
62 HH TYR 10 HH TYR 10 3.859 -2.317 -10.063
63 H ASP 11 H ASP 11 -0.427 2.133 -4.566
64 HA ASP 11 HA ASP 11 -0.171 3.495 -1.917
65 HB2 ASP 11 1HB ASP 11 0.040 5.169 -3.588
66 HB3 ASP 11 2HB ASP 11 -1.300 4.515 -4.531
67 H CYS 12 H CYS 12 -1.833 3.497 -0.621
68 HA CYS 12 HA CYS 12 -4.085 1.619 -1.066
69 HB2 CYS 12 1HB CYS 12 -2.832 1.385 0.980
70 HB3 CYS 12 2HB CYS 12 -3.060 3.104 1.369
71 H HIS 13 H HIS 13 -5.957 2.312 -1.807
72 HA HIS 13 HA HIS 13 -6.663 5.159 -1.825
73 HB2 HIS 13 1HB HIS 13 -8.530 4.476 -3.235
74 HB3 HIS 13 2HB HIS 13 -6.984 3.908 -3.838
75 HD1 HIS 13 1HD HIS 13 -6.782 1.306 -4.239
76 HD2 HIS 13 2HD HIS 13 -10.209 2.556 -2.142
77 HE1 HIS 13 1HE HIS 13 -8.305 -0.734 -4.078
78 H ILE 14 H ILE 14 -6.889 3.007 0.627
79 HA ILE 14 HA ILE 14 -9.574 3.927 1.579
80 HB ILE 14 HB ILE 14 -7.811 1.834 2.814
81 HG12 ILE 14 1HG1 ILE 14 -8.373 1.051 0.564
82 HG13 ILE 14 2HG1 ILE 14 -9.144 0.109 1.817
83 HG21 ILE 14 1HG2 ILE 14 -9.402 2.684 4.400
84 HG22 ILE 14 2HG2 ILE 14 -10.726 2.594 3.223
85 HG23 ILE 14 3HG2 ILE 14 -9.992 1.113 3.863
86 HD11 ILE 14 3HD1 ILE 14 -10.553 2.242 0.196
87 HD12 ILE 14 1HD1 ILE 14 -10.611 0.484 -0.086
88 HD13 ILE 14 2HD1 ILE 14 -11.292 1.154 1.404
89 H CYS 15 H CYS 15 -6.128 3.819 2.531
90 HA CYS 15 HA CYS 15 -6.639 5.844 4.645
91 HB2 CYS 15 1HB CYS 15 -5.481 4.656 6.269
92 HB3 CYS 15 2HB CYS 15 -6.746 3.619 5.609
93 H GLU 16 H GLU 16 -4.998 5.417 1.938
94 HA GLU 16 HA GLU 16 -3.407 6.594 0.909
95 HB2 GLU 16 1HB GLU 16 -4.705 8.316 2.498
96 HB3 GLU 16 2HB GLU 16 -3.082 8.539 3.152
97 HG2 GLU 16 1HG GLU 16 -2.269 9.003 0.803
98 HG3 GLU 16 2HG GLU 16 -3.920 8.773 0.224
99 H ARG 17 H ARG 17 -2.533 4.557 3.046
100 HA ARG 17 HA ARG 17 0.306 5.166 3.440
101 HB2 ARG 17 1HB ARG 17 -1.531 2.845 3.949
102 HB3 ARG 17 2HB ARG 17 0.164 2.443 3.675
103 HG2 ARG 17 1HG ARG 17 0.937 3.832 5.444
104 HG3 ARG 17 2HG ARG 17 -0.647 4.585 5.677
105 HD2 ARG 17 1HD ARG 17 -0.272 1.586 5.996
106 HD3 ARG 17 2HD ARG 17 0.128 2.713 7.289
107 HE ARG 17 HE ARG 17 -2.574 2.914 6.029
108 HH11 ARG 17 2HH1 ARG 17 -0.842 2.042 8.960
109 HH12 ARG 17 1HH1 ARG 17 -2.305 2.081 9.905
110 HH21 ARG 17 2HH2 ARG 17 -4.298 2.895 7.196
111 HH22 ARG 17 1HH2 ARG 17 -4.259 2.575 8.927
112 H LYS 18 H LYS 18 2.045 3.988 2.515
113 HA LYS 18 HA LYS 18 1.630 3.186 -0.327
114 HB2 LYS 18 1HB LYS 18 3.488 5.399 0.617
115 HB3 LYS 18 2HB LYS 18 3.565 4.622 -0.977
116 HG2 LYS 18 1HG LYS 18 1.187 5.296 -1.371
117 HG3 LYS 18 2HG LYS 18 1.256 6.248 0.131
118 HD2 LYS 18 1HD LYS 18 3.181 7.528 -0.794
119 HD3 LYS 18 2HD LYS 18 3.073 6.571 -2.301
120 HE2 LYS 18 1HE LYS 18 0.754 7.317 -2.610
121 HE3 LYS 18 2HE LYS 18 0.847 8.265 -1.118
122 HZ1 LYS 18 3HZ LYS 18 2.589 9.620 -2.164
123 HZ2 LYS 18 1HZ LYS 18 1.238 9.664 -3.076
124 HZ3 LYS 18 2HZ LYS 18 2.504 8.747 -3.544
125 H PHE 19 H PHE 19 3.211 2.077 -1.340
126 HA PHE 19 HA PHE 19 5.211 0.676 0.393
127 HB2 PHE 19 1HB PHE 19 3.143 -0.677 -1.349
128 HB3 PHE 19 2HB PHE 19 4.322 -1.475 -0.338
129 HD1 PHE 19 1HD PHE 19 4.094 -1.513 2.142
130 HD2 PHE 19 2HD PHE 19 1.133 0.355 -0.364
131 HE1 PHE 19 1HE PHE 19 2.553 -1.355 4.084
132 HE2 PHE 19 2HE PHE 19 -0.400 0.551 1.593
133 HZ PHE 19 HZ PHE 19 0.317 -0.305 3.820
134 H LYS 20 H LYS 20 6.713 -0.638 -0.698
135 HA LYS 20 HA LYS 20 7.750 0.630 -3.111
136 HB2 LYS 20 1HB LYS 20 9.038 0.007 -1.063
137 HB3 LYS 20 2HB LYS 20 8.856 -1.694 -1.467
138 HG2 LYS 20 1HG LYS 20 10.137 -1.518 -3.437
139 HG3 LYS 20 2HG LYS 20 10.016 0.244 -3.498
140 HD2 LYS 20 1HD LYS 20 11.565 -1.294 -1.370
141 HD3 LYS 20 2HD LYS 20 12.264 -0.585 -2.836
142 HE2 LYS 20 1HE LYS 20 11.357 1.667 -2.094
143 HE3 LYS 20 2HE LYS 20 10.911 0.921 -0.552
144 HZ1 LYS 20 3HZ LYS 20 13.299 0.339 -0.284
145 HZ2 LYS 20 1HZ LYS 20 13.093 1.962 -0.401
146 HZ3 LYS 20 2HZ LYS 20 13.641 1.123 -1.688
147 H ASN 21 H ASN 21 6.486 -2.546 -2.311
148 HA ASN 21 HA ASN 21 6.511 -3.305 -5.217
149 HB2 ASN 21 1HB ASN 21 6.169 -5.157 -2.842
150 HB3 ASN 21 2HB ASN 21 6.343 -5.624 -4.525
151 HD21 ASN 21 1HD2 ASN 21 7.939 -5.395 -1.679
152 HD22 ASN 21 2HD2 ASN 21 9.594 -5.364 -2.302
153 H GLU 22 H GLU 22 4.701 -4.396 -6.078
154 HA GLU 22 HA GLU 22 2.122 -3.293 -5.393
155 HB2 GLU 22 1HB GLU 22 2.904 -4.147 -7.677
156 HB3 GLU 22 2HB GLU 22 2.706 -5.783 -7.060
157 HG2 GLU 22 1HG GLU 22 0.299 -5.341 -6.653
158 HG3 GLU 22 2HG GLU 22 0.503 -3.670 -7.179
159 H LEU 23 H LEU 23 3.699 -6.404 -4.776
160 HA LEU 23 HA LEU 23 1.627 -7.784 -3.434
161 HB2 LEU 23 1HB LEU 23 3.623 -8.909 -4.166
162 HB3 LEU 23 2HB LEU 23 4.659 -7.853 -3.203
163 HG LEU 23 HG LEU 23 3.796 -8.824 -1.121
164 HD11 LEU 23 1HD1 LEU 23 2.179 -10.679 -2.922
165 HD12 LEU 23 2HD1 LEU 23 1.519 -9.489 -1.775
166 HD13 LEU 23 3HD1 LEU 23 2.412 -10.884 -1.171
167 HD21 LEU 23 3HD2 LEU 23 4.715 -10.924 -3.120
168 HD22 LEU 23 1HD2 LEU 23 4.828 -11.034 -1.349
169 HD23 LEU 23 2HD2 LEU 23 5.765 -9.808 -2.217
170 H ASP 24 H ASP 24 4.184 -5.648 -2.021
171 HA ASP 24 HA ASP 24 3.345 -5.961 0.661
172 HB2 ASP 24 1HB ASP 24 4.989 -3.854 -0.765
173 HB3 ASP 24 2HB ASP 24 4.627 -3.732 0.958
174 H ARG 25 H ARG 25 2.083 -3.790 -1.766
175 HA ARG 25 HA ARG 25 0.337 -2.346 0.133
176 HB2 ARG 25 1HB ARG 25 1.315 -1.348 -1.977
177 HB3 ARG 25 2HB ARG 25 0.313 -2.370 -2.920
178 HG2 ARG 25 1HG ARG 25 -0.811 -0.408 -0.834
179 HG3 ARG 25 2HG ARG 25 -0.418 0.076 -2.483
180 HD2 ARG 25 1HD ARG 25 -2.542 -1.848 -1.557
181 HD3 ARG 25 2HD ARG 25 -2.760 -0.300 -2.348
182 HE ARG 25 HE ARG 25 -1.519 -2.718 -3.581
183 HH11 ARG 25 2HH1 ARG 25 -2.997 0.398 -4.226
184 HH12 ARG 25 1HH1 ARG 25 -3.411 -0.056 -5.863
185 HH21 ARG 25 2HH2 ARG 25 -2.309 -3.316 -5.491
186 HH22 ARG 25 1HH2 ARG 25 -2.936 -2.120 -6.622
187 H ASP 26 H ASP 26 -0.039 -4.913 -2.321
188 HA ASP 26 HA ASP 26 -2.856 -5.171 -2.086
189 HB2 ASP 26 1HB ASP 26 -0.626 -6.982 -3.046
190 HB3 ASP 26 2HB ASP 26 -2.261 -7.586 -2.906
191 H ARG 27 H ARG 27 -0.257 -6.826 -0.234
192 HA ARG 27 HA ARG 27 -2.109 -8.360 1.389
193 HB2 ARG 27 1HB ARG 27 -0.266 -8.949 2.758
194 HB3 ARG 27 2HB ARG 27 0.186 -9.081 1.057
195 HG2 ARG 27 1HG ARG 27 1.414 -6.962 1.189
196 HG3 ARG 27 2HG ARG 27 0.887 -6.689 2.821
197 HD2 ARG 27 1HD ARG 27 2.081 -8.836 3.492
198 HD3 ARG 27 2HD ARG 27 2.667 -8.961 1.833
199 HE ARG 27 HE ARG 27 4.214 -7.236 2.218
200 HH11 ARG 27 2HH1 ARG 27 2.136 -7.376 5.057
201 HH12 ARG 27 1HH1 ARG 27 3.166 -6.276 5.929
202 HH21 ARG 27 2HH2 ARG 27 5.370 -5.897 3.292
203 HH22 ARG 27 1HH2 ARG 27 5.008 -5.446 4.960
204 H HIS 28 H HIS 28 -1.061 -5.041 1.622
205 HA HIS 28 HA HIS 28 -2.112 -4.667 4.347
206 HB2 HIS 28 1HB HIS 28 -0.364 -3.208 3.744
207 HB3 HIS 28 2HB HIS 28 -1.046 -2.843 2.170
208 HD1 HIS 28 1HD HIS 28 -1.623 -1.967 5.860
209 HD2 HIS 28 2HD HIS 28 -2.938 -1.003 1.983
210 HE1 HIS 28 1HE HIS 28 -3.119 0.061 6.126
211 H MET 29 H MET 29 -3.477 -4.247 0.994
212 HA MET 29 HA MET 29 -5.889 -3.064 1.838
213 HB2 MET 29 1HB MET 29 -5.651 -5.097 -0.403
214 HB3 MET 29 2HB MET 29 -6.898 -3.872 -0.201
215 HG2 MET 29 1HG MET 29 -3.992 -3.458 -0.888
216 HG3 MET 29 2HG MET 29 -5.375 -3.140 -1.906
217 HE1 MET 29 3HE MET 29 -6.773 0.208 -0.711
218 HE2 MET 29 1HE MET 29 -6.814 -1.114 -1.895
219 HE3 MET 29 2HE MET 29 -7.427 -1.383 -0.246
220 H LEU 30 H LEU 30 -4.881 -6.355 2.358
221 HA LEU 30 HA LEU 30 -7.375 -7.630 2.861
222 HB2 LEU 30 1HB LEU 30 -4.744 -8.061 4.325
223 HB3 LEU 30 2HB LEU 30 -6.080 -9.194 4.215
224 HG LEU 30 HG LEU 30 -4.304 -8.304 1.904
225 HD11 LEU 30 1HD1 LEU 30 -3.192 -9.798 3.531
226 HD12 LEU 30 2HD1 LEU 30 -3.453 -10.605 1.976
227 HD13 LEU 30 3HD1 LEU 30 -4.513 -10.973 3.357
228 HD21 LEU 30 3HD2 LEU 30 -6.530 -10.376 1.943
229 HD22 LEU 30 1HD2 LEU 30 -5.379 -10.098 0.613
230 HD23 LEU 30 2HD2 LEU 30 -6.533 -8.834 1.048
231 H VAL 31 H VAL 31 -5.569 -5.309 4.875
232 HA VAL 31 HA VAL 31 -7.026 -5.891 7.310
233 HB VAL 31 HB VAL 31 -5.967 -4.140 8.323
234 HG11 VAL 31 1HG1 VAL 31 -3.942 -4.906 6.218
235 HG12 VAL 31 2HG1 VAL 31 -3.639 -4.318 7.858
236 HG13 VAL 31 3HG1 VAL 31 -4.402 -5.900 7.619
237 HG21 VAL 31 3HG2 VAL 31 -4.715 -2.296 7.140
238 HG22 VAL 31 1HG2 VAL 31 -5.616 -2.742 5.676
239 HG23 VAL 31 2HG2 VAL 31 -6.476 -2.203 7.121
240 H HIS 32 H HIS 32 -7.752 -4.017 4.520
241 HA HIS 32 HA HIS 32 -10.063 -2.630 5.768
242 HB2 HIS 32 1HB HIS 32 -9.031 -2.505 2.913
243 HB3 HIS 32 2HB HIS 32 -10.196 -1.428 3.675
244 HD1 HIS 32 1HD HIS 32 -8.754 -0.456 6.226
245 HD2 HIS 32 2HD HIS 32 -6.918 -1.095 2.498
246 HE1 HIS 32 1HE HIS 32 -6.666 0.986 6.238
247 H GLY 33 H GLY 33 -9.347 -5.064 3.260
248 HA2 GLY 33 1HA GLY 33 -12.154 -5.612 2.643
249 HA3 GLY 33 2HA GLY 33 -10.733 -6.405 1.976
250 H ASP 34 H ASP 34 -9.926 -8.261 2.961
251 HA ASP 34 HA ASP 34 -11.978 -9.765 4.364
252 HB2 ASP 34 1HB ASP 34 -9.421 -10.613 3.014
253 HB3 ASP 34 2HB ASP 34 -10.583 -11.726 3.748
254 H LYS 35 H LYS 35 -10.993 -8.009 6.128
255 HA LYS 35 HA LYS 35 -9.286 -9.419 8.070
256 HB2 LYS 35 1HB LYS 35 -9.254 -7.503 9.366
257 HB3 LYS 35 2HB LYS 35 -9.192 -6.931 7.714
258 HG2 LYS 35 1HG LYS 35 -11.627 -6.874 9.562
259 HG3 LYS 35 2HG LYS 35 -10.593 -5.516 9.136
260 HD2 LYS 35 1HD LYS 35 -11.268 -5.823 6.727
261 HD3 LYS 35 2HD LYS 35 -12.444 -7.047 7.274
262 HE2 LYS 35 1HE LYS 35 -13.543 -5.366 8.706
263 HE3 LYS 35 2HE LYS 35 -12.377 -4.143 8.176
264 HZ1 LYS 35 3HZ LYS 35 -14.264 -5.569 6.374
265 HZ2 LYS 35 1HZ LYS 35 -13.188 -4.432 5.903
266 HZ3 LYS 35 2HZ LYS 35 -14.437 -4.024 6.883
267 H TRP 36 H TRP 36 -12.383 -9.954 7.298
268 HA TRP 36 HA TRP 36 -13.728 -10.108 9.850
269 HB2 TRP 36 1HB TRP 36 -15.446 -11.330 8.551
270 HB3 TRP 36 2HB TRP 36 -15.017 -9.769 7.880
271 HD1 TRP 36 1HD TRP 36 -14.050 -9.677 5.475
272 HE1 TRP 36 1HE TRP 36 -13.643 -11.387 3.586
273 HE3 TRP 36 3HE TRP 36 -14.948 -13.998 8.088
274 HZ2 TRP 36 2HZ TRP 36 -13.827 -14.234 3.238
275 HZ3 TRP 36 3HZ TRP 36 -14.857 -16.198 6.935
276 HH2 TRP 36 2HH TRP 36 -14.294 -16.331 4.518
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 9.202 19.747 9.271
2 H2 GLY 1 2H GLY 1 8.453 18.399 8.717
3 H3 GLY 1 3H GLY 1 7.994 19.872 8.171
4 HA2 GLY 1 1HA GLY 1 10.131 20.219 7.112
5 HA3 GLY 1 2HA GLY 1 10.616 18.615 7.689
6 H SER 2 H SER 2 10.907 17.678 5.672
7 HA SER 2 HA SER 2 9.104 17.858 3.470
8 HB2 SER 2 1HB SER 2 11.154 15.700 4.097
9 HB3 SER 2 2HB SER 2 10.426 16.034 2.514
10 HG SER 2 HG SER 2 12.489 17.028 2.751
11 H SER 3 H SER 3 7.820 16.208 2.477
12 HA SER 3 HA SER 3 6.857 13.958 4.149
13 HB2 SER 3 1HB SER 3 5.366 15.925 4.584
14 HB3 SER 3 2HB SER 3 4.954 15.946 2.858
15 HG SER 3 HG SER 3 3.452 14.738 4.144
16 H GLY 4 H GLY 4 5.913 12.272 2.986
17 HA2 GLY 4 1HA GLY 4 5.599 10.836 1.196
18 HA3 GLY 4 2HA GLY 4 5.818 12.166 0.065
19 H SER 5 H SER 5 6.842 9.589 -0.344
20 HA SER 5 HA SER 5 9.792 10.042 -0.388
21 HB2 SER 5 1HB SER 5 8.427 7.496 0.567
22 HB3 SER 5 2HB SER 5 10.161 7.683 0.263
23 HG SER 5 HG SER 5 9.628 7.959 2.482
24 H SER 6 H SER 6 10.629 9.696 -2.338
25 HA SER 6 HA SER 6 9.115 8.693 -4.557
26 HB2 SER 6 1HB SER 6 12.116 9.125 -4.341
27 HB3 SER 6 2HB SER 6 11.164 9.041 -5.833
28 HG SER 6 HG SER 6 10.097 10.948 -5.216
29 H GLY 7 H GLY 7 11.042 7.005 -2.230
30 HA2 GLY 7 1HA GLY 7 11.746 4.664 -3.761
31 HA3 GLY 7 2HA GLY 7 11.688 4.820 -1.998
32 H LEU 8 H LEU 8 8.662 5.698 -2.817
33 HA LEU 8 HA LEU 8 7.583 2.920 -2.567
34 HB2 LEU 8 1HB LEU 8 6.379 5.525 -1.584
35 HB3 LEU 8 2HB LEU 8 5.753 3.891 -1.329
36 HG LEU 8 HG LEU 8 8.407 4.913 -0.217
37 HD11 LEU 8 1HD1 LEU 8 5.761 4.497 1.209
38 HD12 LEU 8 2HD1 LEU 8 6.464 6.071 0.766
39 HD13 LEU 8 3HD1 LEU 8 7.300 5.026 1.926
40 HD21 LEU 8 3HD2 LEU 8 6.818 2.396 0.436
41 HD22 LEU 8 1HD2 LEU 8 8.333 2.915 1.201
42 HD23 LEU 8 2HD2 LEU 8 8.329 2.444 -0.502
43 H LEU 9 H LEU 9 6.534 2.190 -4.225
44 HA LEU 9 HA LEU 9 5.898 4.004 -6.499
45 HB2 LEU 9 1HB LEU 9 6.653 1.085 -6.182
46 HB3 LEU 9 2HB LEU 9 5.832 1.644 -7.633
47 HG LEU 9 HG LEU 9 7.609 3.306 -8.025
48 HD11 LEU 9 1HD1 LEU 9 9.843 2.941 -6.921
49 HD12 LEU 9 2HD1 LEU 9 9.031 1.916 -5.716
50 HD13 LEU 9 3HD1 LEU 9 8.633 3.648 -5.858
51 HD21 LEU 9 3HD2 LEU 9 8.558 0.419 -7.768
52 HD22 LEU 9 1HD2 LEU 9 9.261 1.656 -8.837
53 HD23 LEU 9 2HD2 LEU 9 7.609 1.083 -9.116
54 H TYR 10 H TYR 10 4.249 2.076 -4.183
55 HA TYR 10 HA TYR 10 1.718 2.066 -5.791
56 HB2 TYR 10 1HB TYR 10 2.692 -0.056 -3.841
57 HB3 TYR 10 2HB TYR 10 1.196 -0.078 -4.733
58 HD1 TYR 10 1HD TYR 10 4.879 -0.359 -5.038
59 HD2 TYR 10 2HD TYR 10 1.110 -0.607 -7.122
60 HE1 TYR 10 1HE TYR 10 6.042 -1.293 -7.035
61 HE2 TYR 10 2HE TYR 10 2.262 -1.581 -9.096
62 HH TYR 10 HH TYR 10 4.272 -2.208 -10.016
63 H ASP 11 H ASP 11 -0.238 2.341 -4.687
64 HA ASP 11 HA ASP 11 -0.046 3.434 -1.929
65 HB2 ASP 11 1HB ASP 11 -1.245 5.374 -2.529
66 HB3 ASP 11 2HB ASP 11 0.116 5.230 -3.631
67 H CYS 12 H CYS 12 -1.719 3.321 -0.622
68 HA CYS 12 HA CYS 12 -3.932 1.452 -1.161
69 HB2 CYS 12 1HB CYS 12 -2.725 1.327 0.939
70 HB3 CYS 12 2HB CYS 12 -3.033 3.047 1.263
71 H HIS 13 H HIS 13 -5.929 2.059 -1.717
72 HA HIS 13 HA HIS 13 -6.592 4.931 -1.951
73 HB2 HIS 13 1HB HIS 13 -8.410 4.247 -3.366
74 HB3 HIS 13 2HB HIS 13 -6.887 3.574 -3.919
75 HD1 HIS 13 1HD HIS 13 -6.833 0.944 -4.200
76 HD2 HIS 13 2HD HIS 13 -10.211 2.493 -2.229
77 HE1 HIS 13 1HE HIS 13 -8.495 -0.981 -4.009
78 H ILE 14 H ILE 14 -6.851 2.813 0.539
79 HA ILE 14 HA ILE 14 -9.530 3.776 1.465
80 HB ILE 14 HB ILE 14 -7.755 1.705 2.727
81 HG12 ILE 14 1HG1 ILE 14 -8.392 0.893 0.505
82 HG13 ILE 14 2HG1 ILE 14 -9.118 -0.032 1.799
83 HG21 ILE 14 1HG2 ILE 14 -9.289 2.606 4.341
84 HG22 ILE 14 2HG2 ILE 14 -10.648 2.503 3.204
85 HG23 ILE 14 3HG2 ILE 14 -9.909 1.029 3.855
86 HD11 ILE 14 3HD1 ILE 14 -11.278 1.027 1.441
87 HD12 ILE 14 1HD1 ILE 14 -10.574 2.080 0.182
88 HD13 ILE 14 2HD1 ILE 14 -10.656 0.319 -0.056
89 H CYS 15 H CYS 15 -6.099 3.633 2.456
90 HA CYS 15 HA CYS 15 -6.592 5.780 4.460
91 HB2 CYS 15 1HB CYS 15 -5.283 4.716 6.062
92 HB3 CYS 15 2HB CYS 15 -6.564 3.647 5.532
93 H GLU 16 H GLU 16 -5.113 5.451 1.703
94 HA GLU 16 HA GLU 16 -3.532 6.675 0.618
95 HB2 GLU 16 1HB GLU 16 -4.160 8.356 3.040
96 HB3 GLU 16 2HB GLU 16 -3.029 8.937 1.800
97 HG2 GLU 16 1HG GLU 16 -4.780 8.617 0.067
98 HG3 GLU 16 2HG GLU 16 -5.911 8.075 1.308
99 H ARG 17 H ARG 17 -2.545 4.741 2.882
100 HA ARG 17 HA ARG 17 0.269 5.467 3.206
101 HB2 ARG 17 1HB ARG 17 -1.295 2.868 3.518
102 HB3 ARG 17 2HB ARG 17 0.453 2.955 3.760
103 HG2 ARG 17 1HG ARG 17 0.197 4.632 5.525
104 HG3 ARG 17 2HG ARG 17 -1.558 4.647 5.280
105 HD2 ARG 17 1HD ARG 17 -1.648 2.234 5.863
106 HD3 ARG 17 2HD ARG 17 0.096 2.223 6.098
107 HE ARG 17 HE ARG 17 -0.119 3.272 8.143
108 HH11 ARG 17 2HH1 ARG 17 -3.334 3.455 6.636
109 HH12 ARG 17 1HH1 ARG 17 -4.038 3.987 8.135
110 HH21 ARG 17 2HH2 ARG 17 -1.145 3.967 9.957
111 HH22 ARG 17 1HH2 ARG 17 -2.854 4.280 9.934
112 H LYS 18 H LYS 18 1.971 4.050 2.424
113 HA LYS 18 HA LYS 18 1.659 3.208 -0.404
114 HB2 LYS 18 1HB LYS 18 3.563 5.422 0.466
115 HB3 LYS 18 2HB LYS 18 3.670 4.514 -1.044
116 HG2 LYS 18 1HG LYS 18 1.332 5.272 -1.610
117 HG3 LYS 18 2HG LYS 18 1.423 6.362 -0.223
118 HD2 LYS 18 1HD LYS 18 1.997 7.591 -2.225
119 HD3 LYS 18 2HD LYS 18 3.454 7.415 -1.230
120 HE2 LYS 18 1HE LYS 18 4.137 5.473 -2.690
121 HE3 LYS 18 2HE LYS 18 2.729 5.773 -3.706
122 HZ1 LYS 18 3HZ LYS 18 4.866 6.787 -4.472
123 HZ2 LYS 18 1HZ LYS 18 4.861 7.788 -3.195
124 HZ3 LYS 18 2HZ LYS 18 3.665 7.903 -4.312
125 H PHE 19 H PHE 19 3.308 2.049 -1.344
126 HA PHE 19 HA PHE 19 5.151 0.613 0.534
127 HB2 PHE 19 1HB PHE 19 3.200 -0.618 -1.428
128 HB3 PHE 19 2HB PHE 19 4.285 -1.494 -0.377
129 HD1 PHE 19 1HD PHE 19 3.932 -1.625 2.070
130 HD2 PHE 19 2HD PHE 19 1.150 0.432 -0.498
131 HE1 PHE 19 1HE PHE 19 2.314 -1.473 3.948
132 HE2 PHE 19 2HE PHE 19 -0.450 0.633 1.402
133 HZ PHE 19 HZ PHE 19 0.141 -0.320 3.622
134 H LYS 20 H LYS 20 6.726 -0.748 -0.451
135 HA LYS 20 HA LYS 20 8.054 0.461 -2.722
136 HB2 LYS 20 1HB LYS 20 8.655 -2.115 -1.190
137 HB3 LYS 20 2HB LYS 20 9.727 -1.356 -2.372
138 HG2 LYS 20 1HG LYS 20 9.855 0.677 -0.947
139 HG3 LYS 20 2HG LYS 20 8.840 -0.131 0.271
140 HD2 LYS 20 1HD LYS 20 10.544 -1.912 0.514
141 HD3 LYS 20 2HD LYS 20 11.563 -1.105 -0.701
142 HE2 LYS 20 1HE LYS 20 11.664 0.921 0.737
143 HE3 LYS 20 2HE LYS 20 10.653 0.119 1.947
144 HZ1 LYS 20 3HZ LYS 20 13.010 -0.057 2.506
145 HZ2 LYS 20 1HZ LYS 20 13.350 -0.806 1.097
146 HZ3 LYS 20 2HZ LYS 20 12.416 -1.548 2.214
147 H ASN 21 H ASN 21 6.156 -2.482 -2.323
148 HA ASN 21 HA ASN 21 6.358 -3.019 -5.261
149 HB2 ASN 21 1HB ASN 21 6.064 -5.122 -3.087
150 HB3 ASN 21 2HB ASN 21 6.265 -5.397 -4.810
151 HD21 ASN 21 1HD2 ASN 21 7.847 -4.843 -1.815
152 HD22 ASN 21 2HD2 ASN 21 9.486 -4.996 -2.449
153 H GLU 22 H GLU 22 4.577 -4.072 -6.209
154 HA GLU 22 HA GLU 22 1.971 -3.143 -5.489
155 HB2 GLU 22 1HB GLU 22 2.865 -3.953 -7.777
156 HB3 GLU 22 2HB GLU 22 2.604 -5.590 -7.191
157 HG2 GLU 22 1HG GLU 22 0.199 -5.089 -6.863
158 HG3 GLU 22 2HG GLU 22 0.465 -3.417 -7.349
159 H LEU 23 H LEU 23 3.686 -6.185 -4.884
160 HA LEU 23 HA LEU 23 1.624 -7.699 -3.678
161 HB2 LEU 23 1HB LEU 23 3.674 -8.702 -4.426
162 HB3 LEU 23 2HB LEU 23 4.648 -7.680 -3.363
163 HG LEU 23 HG LEU 23 3.679 -8.818 -1.373
164 HD11 LEU 23 1HD1 LEU 23 2.344 -10.616 -3.445
165 HD12 LEU 23 2HD1 LEU 23 1.521 -9.580 -2.255
166 HD13 LEU 23 3HD1 LEU 23 2.460 -10.973 -1.710
167 HD21 LEU 23 3HD2 LEU 23 4.898 -10.912 -1.643
168 HD22 LEU 23 1HD2 LEU 23 5.798 -9.566 -2.360
169 HD23 LEU 23 2HD2 LEU 23 4.916 -10.700 -3.412
170 H ASP 24 H ASP 24 4.109 -5.619 -2.042
171 HA ASP 24 HA ASP 24 3.209 -6.095 0.601
172 HB2 ASP 24 1HB ASP 24 4.602 -3.701 -0.640
173 HB3 ASP 24 2HB ASP 24 4.330 -3.875 1.096
174 H ARG 25 H ARG 25 2.107 -3.687 -1.757
175 HA ARG 25 HA ARG 25 0.234 -2.370 0.061
176 HB2 ARG 25 1HB ARG 25 1.322 -1.352 -1.971
177 HB3 ARG 25 2HB ARG 25 0.361 -2.350 -2.988
178 HG2 ARG 25 1HG ARG 25 -0.843 -0.397 -0.941
179 HG3 ARG 25 2HG ARG 25 -0.369 0.091 -2.568
180 HD2 ARG 25 1HD ARG 25 -2.565 -1.820 -1.763
181 HD3 ARG 25 2HD ARG 25 -2.708 -0.261 -2.549
182 HE ARG 25 HE ARG 25 -1.425 -2.668 -3.751
183 HH11 ARG 25 2HH1 ARG 25 -2.834 0.469 -4.422
184 HH12 ARG 25 1HH1 ARG 25 -3.194 0.040 -6.077
185 HH21 ARG 25 2HH2 ARG 25 -2.193 -3.248 -5.692
186 HH22 ARG 25 1HH2 ARG 25 -2.730 -2.024 -6.837
187 H ASP 26 H ASP 26 -0.092 -4.862 -2.487
188 HA ASP 26 HA ASP 26 -2.897 -5.131 -2.334
189 HB2 ASP 26 1HB ASP 26 -0.648 -6.950 -3.248
190 HB3 ASP 26 2HB ASP 26 -2.290 -7.548 -3.163
191 H ARG 27 H ARG 27 -0.367 -6.866 -0.435
192 HA ARG 27 HA ARG 27 -2.346 -8.364 1.111
193 HB2 ARG 27 1HB ARG 27 -0.632 -9.150 2.465
194 HB3 ARG 27 2HB ARG 27 -0.191 -9.302 0.764
195 HG2 ARG 27 1HG ARG 27 1.421 -7.523 0.932
196 HG3 ARG 27 2HG ARG 27 0.795 -6.987 2.483
197 HD2 ARG 27 1HD ARG 27 2.819 -8.196 2.888
198 HD3 ARG 27 2HD ARG 27 1.440 -9.164 3.469
199 HE ARG 27 HE ARG 27 1.973 -10.010 0.833
200 HH11 ARG 27 2HH1 ARG 27 3.714 -10.079 3.872
201 HH12 ARG 27 1HH1 ARG 27 4.566 -11.541 3.461
202 HH21 ARG 27 2HH2 ARG 27 3.059 -11.921 0.398
203 HH22 ARG 27 1HH2 ARG 27 4.213 -12.535 1.541
204 H HIS 28 H HIS 28 -1.032 -5.144 1.496
205 HA HIS 28 HA HIS 28 -2.056 -4.787 4.207
206 HB2 HIS 28 1HB HIS 28 -0.344 -3.313 3.561
207 HB3 HIS 28 2HB HIS 28 -1.082 -2.941 2.014
208 HD1 HIS 28 1HD HIS 28 -1.546 -2.085 5.731
209 HD2 HIS 28 2HD HIS 28 -2.921 -1.059 1.889
210 HE1 HIS 28 1HE HIS 28 -2.961 -0.002 6.038
211 H MET 29 H MET 29 -3.577 -4.375 0.931
212 HA MET 29 HA MET 29 -5.915 -3.111 1.835
213 HB2 MET 29 1HB MET 29 -5.848 -5.270 -0.299
214 HB3 MET 29 2HB MET 29 -7.036 -3.991 -0.114
215 HG2 MET 29 1HG MET 29 -4.151 -3.694 -0.941
216 HG3 MET 29 2HG MET 29 -5.567 -3.452 -1.936
217 HE1 MET 29 3HE MET 29 -7.525 -1.565 -0.123
218 HE2 MET 29 1HE MET 29 -6.979 -0.058 -0.896
219 HE3 MET 29 2HE MET 29 -7.150 -1.539 -1.860
220 H LEU 30 H LEU 30 -4.984 -6.432 2.379
221 HA LEU 30 HA LEU 30 -7.488 -7.610 3.036
222 HB2 LEU 30 1HB LEU 30 -4.761 -8.161 4.263
223 HB3 LEU 30 2HB LEU 30 -6.145 -9.232 4.277
224 HG LEU 30 HG LEU 30 -4.575 -8.394 1.797
225 HD11 LEU 30 1HD1 LEU 30 -3.808 -10.722 1.771
226 HD12 LEU 30 2HD1 LEU 30 -4.732 -11.063 3.252
227 HD13 LEU 30 3HD1 LEU 30 -3.358 -9.937 3.293
228 HD21 LEU 30 3HD2 LEU 30 -6.891 -8.825 1.168
229 HD22 LEU 30 1HD2 LEU 30 -6.881 -10.361 2.070
230 HD23 LEU 30 2HD2 LEU 30 -5.859 -10.151 0.627
231 H VAL 31 H VAL 31 -5.531 -5.330 4.897
232 HA VAL 31 HA VAL 31 -6.806 -5.886 7.448
233 HB VAL 31 HB VAL 31 -5.690 -4.117 8.361
234 HG11 VAL 31 1HG1 VAL 31 -3.390 -4.313 7.751
235 HG12 VAL 31 2HG1 VAL 31 -4.174 -5.895 7.602
236 HG13 VAL 31 3HG1 VAL 31 -3.803 -4.942 6.151
237 HG21 VAL 31 3HG2 VAL 31 -6.263 -2.201 7.165
238 HG22 VAL 31 1HG2 VAL 31 -4.505 -2.301 7.068
239 HG23 VAL 31 2HG2 VAL 31 -5.503 -2.767 5.675
240 H HIS 32 H HIS 32 -7.742 -4.070 4.683
241 HA HIS 32 HA HIS 32 -9.809 -2.495 6.086
242 HB2 HIS 32 1HB HIS 32 -9.014 -2.589 3.154
243 HB3 HIS 32 2HB HIS 32 -10.115 -1.437 3.897
244 HD1 HIS 32 1HD HIS 32 -8.529 -0.417 6.356
245 HD2 HIS 32 2HD HIS 32 -6.914 -1.172 2.546
246 HE1 HIS 32 1HE HIS 32 -6.433 0.996 6.217
247 H GLY 33 H GLY 33 -9.652 -5.525 4.377
248 HA2 GLY 33 1HA GLY 33 -12.217 -6.358 5.053
249 HA3 GLY 33 2HA GLY 33 -12.397 -5.629 3.457
250 H ASP 34 H ASP 34 -13.076 -8.172 3.712
251 HA ASP 34 HA ASP 34 -10.874 -9.838 2.571
252 HB2 ASP 34 1HB ASP 34 -11.929 -10.479 4.760
253 HB3 ASP 34 2HB ASP 34 -13.458 -10.697 3.912
254 H LYS 35 H LYS 35 -13.117 -7.942 1.321
255 HA LYS 35 HA LYS 35 -14.640 -9.741 -0.412
256 HB2 LYS 35 1HB LYS 35 -14.482 -6.702 -0.274
257 HB3 LYS 35 2HB LYS 35 -15.633 -7.620 -1.252
258 HG2 LYS 35 1HG LYS 35 -16.568 -8.666 0.798
259 HG3 LYS 35 2HG LYS 35 -15.458 -7.703 1.794
260 HD2 LYS 35 1HD LYS 35 -16.455 -5.615 0.899
261 HD3 LYS 35 2HD LYS 35 -17.575 -6.577 -0.092
262 HE2 LYS 35 1HE LYS 35 -18.499 -7.616 1.970
263 HE3 LYS 35 2HE LYS 35 -17.389 -6.658 2.956
264 HZ1 LYS 35 3HZ LYS 35 -19.579 -5.618 2.828
265 HZ2 LYS 35 1HZ LYS 35 -19.511 -5.534 1.201
266 HZ3 LYS 35 2HZ LYS 35 -18.483 -4.646 2.111
267 H TRP 36 H TRP 36 -11.540 -8.607 -0.730
268 HA TRP 36 HA TRP 36 -11.365 -7.695 -3.405
269 HB2 TRP 36 1HB TRP 36 -9.198 -9.053 -1.778
270 HB3 TRP 36 2HB TRP 36 -8.980 -7.945 -3.123
271 HD1 TRP 36 1HD TRP 36 -9.064 -8.031 0.531
272 HE1 TRP 36 1HE TRP 36 -9.122 -5.684 1.559
273 HE3 TRP 36 3HE TRP 36 -10.255 -5.334 -3.666
274 HZ2 TRP 36 2HZ TRP 36 -9.749 -3.005 0.712
275 HZ3 TRP 36 3HZ TRP 36 -10.581 -2.874 -3.515
276 HH2 TRP 36 2HH TRP 36 -10.334 -1.703 -1.340
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 4.743 14.136 -4.181
2 H2 GLY 1 2H GLY 1 4.485 15.624 -3.545
3 H3 GLY 1 3H GLY 1 3.626 14.340 -3.000
4 HA2 GLY 1 1HA GLY 1 5.329 14.931 -1.401
5 HA3 GLY 1 2HA GLY 1 5.586 13.311 -2.076
6 H SER 2 H SER 2 7.382 15.661 -1.022
7 HA SER 2 HA SER 2 9.052 16.354 -3.312
8 HB2 SER 2 1HB SER 2 10.364 17.577 -1.599
9 HB3 SER 2 2HB SER 2 8.640 17.985 -1.589
10 HG SER 2 HG SER 2 9.468 17.619 0.533
11 H SER 3 H SER 3 9.081 13.716 -1.079
12 HA SER 3 HA SER 3 11.624 12.705 -2.177
13 HB2 SER 3 1HB SER 3 12.179 14.091 -0.131
14 HB3 SER 3 2HB SER 3 11.228 12.944 0.830
15 HG SER 3 HG SER 3 13.498 12.446 0.750
16 H GLY 4 H GLY 4 12.033 10.452 -1.460
17 HA2 GLY 4 1HA GLY 4 11.464 8.271 -1.001
18 HA3 GLY 4 2HA GLY 4 9.963 8.836 -0.273
19 H SER 5 H SER 5 9.612 10.114 -3.236
20 HA SER 5 HA SER 5 7.764 8.134 -4.170
21 HB2 SER 5 1HB SER 5 7.551 9.678 -6.121
22 HB3 SER 5 2HB SER 5 7.373 10.474 -4.548
23 HG SER 5 HG SER 5 8.756 11.643 -5.980
24 H SER 6 H SER 6 11.168 8.362 -4.686
25 HA SER 6 HA SER 6 11.241 6.734 -7.124
26 HB2 SER 6 1HB SER 6 13.681 6.644 -6.603
27 HB3 SER 6 2HB SER 6 13.032 8.288 -6.730
28 HG SER 6 HG SER 6 14.391 8.014 -4.884
29 H GLY 7 H GLY 7 11.166 6.156 -3.655
30 HA2 GLY 7 1HA GLY 7 11.871 3.278 -3.900
31 HA3 GLY 7 2HA GLY 7 11.620 4.206 -2.416
32 H LEU 8 H LEU 8 9.118 5.334 -2.894
33 HA LEU 8 HA LEU 8 7.361 2.955 -2.608
34 HB2 LEU 8 1HB LEU 8 6.911 5.864 -1.863
35 HB3 LEU 8 2HB LEU 8 5.817 4.523 -1.525
36 HG LEU 8 HG LEU 8 8.640 4.822 -0.391
37 HD11 LEU 8 1HD1 LEU 8 7.044 6.467 0.506
38 HD12 LEU 8 2HD1 LEU 8 7.511 5.273 1.727
39 HD13 LEU 8 3HD1 LEU 8 5.922 5.152 0.938
40 HD21 LEU 8 3HD2 LEU 8 7.992 2.967 1.116
41 HD22 LEU 8 1HD2 LEU 8 8.000 2.439 -0.570
42 HD23 LEU 8 2HD2 LEU 8 6.458 2.792 0.243
43 H LEU 9 H LEU 9 6.062 2.360 -4.103
44 HA LEU 9 HA LEU 9 5.505 4.142 -6.461
45 HB2 LEU 9 1HB LEU 9 6.209 1.192 -6.255
46 HB3 LEU 9 2HB LEU 9 5.690 1.972 -7.737
47 HG LEU 9 HG LEU 9 8.221 2.652 -6.160
48 HD11 LEU 9 1HD1 LEU 9 8.303 0.445 -7.248
49 HD12 LEU 9 2HD1 LEU 9 9.399 1.591 -8.033
50 HD13 LEU 9 3HD1 LEU 9 7.848 1.183 -8.802
51 HD21 LEU 9 3HD2 LEU 9 8.868 3.942 -8.183
52 HD22 LEU 9 1HD2 LEU 9 7.458 4.634 -7.387
53 HD23 LEU 9 2HD2 LEU 9 7.250 3.668 -8.868
54 H TYR 10 H TYR 10 4.082 1.860 -4.230
55 HA TYR 10 HA TYR 10 1.506 1.869 -5.766
56 HB2 TYR 10 1HB TYR 10 2.591 -0.239 -3.867
57 HB3 TYR 10 2HB TYR 10 1.063 -0.304 -4.706
58 HD1 TYR 10 1HD TYR 10 4.746 -0.443 -5.143
59 HD2 TYR 10 2HD TYR 10 0.915 -0.817 -7.091
60 HE1 TYR 10 1HE TYR 10 5.869 -1.347 -7.186
61 HE2 TYR 10 2HE TYR 10 2.026 -1.754 -9.107
62 HH TYR 10 HH TYR 10 4.019 -2.321 -10.096
63 H ASP 11 H ASP 11 -0.401 2.335 -4.723
64 HA ASP 11 HA ASP 11 -0.177 3.360 -1.930
65 HB2 ASP 11 1HB ASP 11 -1.370 5.296 -2.528
66 HB3 ASP 11 2HB ASP 11 -0.043 5.125 -3.668
67 H CYS 12 H CYS 12 -1.788 3.212 -0.560
68 HA CYS 12 HA CYS 12 -4.063 1.421 -1.029
69 HB2 CYS 12 1HB CYS 12 -2.841 1.340 1.061
70 HB3 CYS 12 2HB CYS 12 -3.099 3.076 1.329
71 H HIS 13 H HIS 13 -6.035 2.041 -1.612
72 HA HIS 13 HA HIS 13 -6.698 4.912 -1.881
73 HB2 HIS 13 1HB HIS 13 -8.549 4.176 -3.266
74 HB3 HIS 13 2HB HIS 13 -7.004 3.574 -3.838
75 HD1 HIS 13 1HD HIS 13 -6.826 0.961 -4.144
76 HD2 HIS 13 2HD HIS 13 -10.246 2.317 -2.105
77 HE1 HIS 13 1HE HIS 13 -8.375 -1.054 -3.926
78 H ILE 14 H ILE 14 -6.911 2.874 0.654
79 HA ILE 14 HA ILE 14 -9.581 3.861 1.592
80 HB ILE 14 HB ILE 14 -7.840 1.782 2.879
81 HG12 ILE 14 1HG1 ILE 14 -8.441 0.914 0.681
82 HG13 ILE 14 2HG1 ILE 14 -9.231 0.047 1.975
83 HG21 ILE 14 1HG2 ILE 14 -9.399 2.736 4.449
84 HG22 ILE 14 2HG2 ILE 14 -10.742 2.583 3.300
85 HG23 ILE 14 3HG2 ILE 14 -9.991 1.137 4.002
86 HD11 ILE 14 3HD1 ILE 14 -10.699 0.353 0.079
87 HD12 ILE 14 1HD1 ILE 14 -11.350 1.160 1.513
88 HD13 ILE 14 2HD1 ILE 14 -10.575 2.124 0.231
89 H CYS 15 H CYS 15 -6.131 3.677 2.532
90 HA CYS 15 HA CYS 15 -6.553 5.851 4.512
91 HB2 CYS 15 1HB CYS 15 -5.349 4.761 6.164
92 HB3 CYS 15 2HB CYS 15 -6.669 3.743 5.621
93 H GLU 16 H GLU 16 -5.066 5.425 1.794
94 HA GLU 16 HA GLU 16 -3.428 6.558 0.700
95 HB2 GLU 16 1HB GLU 16 -3.933 8.266 3.128
96 HB3 GLU 16 2HB GLU 16 -2.756 8.772 1.901
97 HG2 GLU 16 1HG GLU 16 -4.514 8.595 0.155
98 HG3 GLU 16 2HG GLU 16 -5.688 8.113 1.382
99 H ARG 17 H ARG 17 -2.505 4.658 3.108
100 HA ARG 17 HA ARG 17 0.327 5.198 3.345
101 HB2 ARG 17 1HB ARG 17 -1.528 2.906 3.904
102 HB3 ARG 17 2HB ARG 17 0.159 2.480 3.622
103 HG2 ARG 17 1HG ARG 17 0.961 3.909 5.354
104 HG3 ARG 17 2HG ARG 17 -0.628 4.649 5.604
105 HD2 ARG 17 1HD ARG 17 -0.217 1.656 5.936
106 HD3 ARG 17 2HD ARG 17 0.196 2.793 7.216
107 HE ARG 17 HE ARG 17 -2.535 2.944 5.998
108 HH11 ARG 17 2HH1 ARG 17 -0.737 2.174 8.920
109 HH12 ARG 17 1HH1 ARG 17 -2.185 2.223 9.890
110 HH21 ARG 17 2HH2 ARG 17 -4.235 2.943 7.195
111 HH22 ARG 17 1HH2 ARG 17 -4.161 2.668 8.933
112 H LYS 18 H LYS 18 2.061 4.056 2.416
113 HA LYS 18 HA LYS 18 1.635 3.167 -0.392
114 HB2 LYS 18 1HB LYS 18 3.379 5.494 0.462
115 HB3 LYS 18 2HB LYS 18 3.526 4.676 -1.101
116 HG2 LYS 18 1HG LYS 18 1.366 5.270 -1.816
117 HG3 LYS 18 2HG LYS 18 0.877 5.877 -0.238
118 HD2 LYS 18 1HD LYS 18 3.113 7.098 -1.893
119 HD3 LYS 18 2HD LYS 18 1.440 7.657 -1.953
120 HE2 LYS 18 1HE LYS 18 3.057 7.510 0.627
121 HE3 LYS 18 2HE LYS 18 3.035 8.939 -0.410
122 HZ1 LYS 18 3HZ LYS 18 1.384 9.119 1.359
123 HZ2 LYS 18 1HZ LYS 18 0.603 7.770 0.877
124 HZ3 LYS 18 2HZ LYS 18 0.634 9.092 -0.085
125 H PHE 19 H PHE 19 3.246 2.058 -1.370
126 HA PHE 19 HA PHE 19 5.203 0.677 0.435
127 HB2 PHE 19 1HB PHE 19 3.173 -0.617 -1.402
128 HB3 PHE 19 2HB PHE 19 4.300 -1.462 -0.374
129 HD1 PHE 19 1HD PHE 19 4.042 -1.496 2.105
130 HD2 PHE 19 2HD PHE 19 1.144 0.419 -0.443
131 HE1 PHE 19 1HE PHE 19 2.477 -1.310 4.027
132 HE2 PHE 19 2HE PHE 19 -0.409 0.642 1.494
133 HZ PHE 19 HZ PHE 19 0.267 -0.217 3.733
134 H LYS 20 H LYS 20 6.720 -0.709 -0.589
135 HA LYS 20 HA LYS 20 7.959 0.485 -2.912
136 HB2 LYS 20 1HB LYS 20 8.643 -2.090 -1.417
137 HB3 LYS 20 2HB LYS 20 9.679 -1.270 -2.587
138 HG2 LYS 20 1HG LYS 20 9.780 0.719 -1.086
139 HG3 LYS 20 2HG LYS 20 8.798 -0.160 0.110
140 HD2 LYS 20 1HD LYS 20 10.523 -1.947 0.202
141 HD3 LYS 20 2HD LYS 20 11.542 -1.033 -0.914
142 HE2 LYS 20 1HE LYS 20 10.589 -0.025 1.811
143 HE3 LYS 20 2HE LYS 20 12.135 -0.831 1.536
144 HZ1 LYS 20 3HZ LYS 20 12.411 1.561 1.493
145 HZ2 LYS 20 1HZ LYS 20 11.325 1.740 0.289
146 HZ3 LYS 20 2HZ LYS 20 12.742 0.968 0.012
147 H ASN 21 H ASN 21 6.133 -2.477 -2.421
148 HA ASN 21 HA ASN 21 6.270 -3.077 -5.350
149 HB2 ASN 21 1HB ASN 21 6.062 -5.121 -3.108
150 HB3 ASN 21 2HB ASN 21 6.229 -5.446 -4.828
151 HD21 ASN 21 1HD2 ASN 21 7.866 -4.897 -1.892
152 HD22 ASN 21 2HD2 ASN 21 9.495 -4.953 -2.564
153 H GLU 22 H GLU 22 4.480 -4.195 -6.225
154 HA GLU 22 HA GLU 22 1.888 -3.251 -5.456
155 HB2 GLU 22 1HB GLU 22 2.711 -4.098 -7.756
156 HB3 GLU 22 2HB GLU 22 2.485 -5.727 -7.133
157 HG2 GLU 22 1HG GLU 22 0.086 -5.239 -6.733
158 HG3 GLU 22 2HG GLU 22 0.321 -3.576 -7.267
159 H LEU 23 H LEU 23 3.605 -6.294 -4.865
160 HA LEU 23 HA LEU 23 1.613 -7.762 -3.497
161 HB2 LEU 23 1HB LEU 23 3.618 -8.811 -4.264
162 HB3 LEU 23 2HB LEU 23 4.646 -7.711 -3.341
163 HG LEU 23 HG LEU 23 3.866 -8.709 -1.220
164 HD11 LEU 23 1HD1 LEU 23 1.623 -9.501 -1.846
165 HD12 LEU 23 2HD1 LEU 23 2.602 -10.839 -1.246
166 HD13 LEU 23 3HD1 LEU 23 2.334 -10.659 -2.995
167 HD21 LEU 23 3HD2 LEU 23 5.873 -9.567 -2.345
168 HD22 LEU 23 1HD2 LEU 23 4.883 -10.746 -3.237
169 HD23 LEU 23 2HD2 LEU 23 5.026 -10.852 -1.466
170 H ASP 24 H ASP 24 4.129 -5.565 -2.073
171 HA ASP 24 HA ASP 24 3.320 -5.980 0.614
172 HB2 ASP 24 1HB ASP 24 4.811 -3.710 -0.730
173 HB3 ASP 24 2HB ASP 24 4.542 -3.781 1.015
174 H ARG 25 H ARG 25 2.079 -3.728 -1.764
175 HA ARG 25 HA ARG 25 0.312 -2.318 0.122
176 HB2 ARG 25 1HB ARG 25 1.305 -1.337 -1.982
177 HB3 ARG 25 2HB ARG 25 0.310 -2.372 -2.927
178 HG2 ARG 25 1HG ARG 25 -0.827 -0.381 -0.876
179 HG3 ARG 25 2HG ARG 25 -0.424 0.075 -2.532
180 HD2 ARG 25 1HD ARG 25 -2.553 -1.847 -1.600
181 HD3 ARG 25 2HD ARG 25 -2.762 -0.306 -2.406
182 HE ARG 25 HE ARG 25 -1.488 -2.715 -3.612
183 HH11 ARG 25 2HH1 ARG 25 -2.998 0.374 -4.290
184 HH12 ARG 25 1HH1 ARG 25 -3.420 -0.103 -5.917
185 HH21 ARG 25 1HH2 ARG 25 -2.333 -3.358 -5.499
186 HH22 ARG 25 2HH2 ARG 25 -2.953 -2.178 -6.648
187 H ASP 26 H ASP 26 -0.067 -4.904 -2.321
188 HA ASP 26 HA ASP 26 -2.875 -5.173 -2.058
189 HB2 ASP 26 1HB ASP 26 -0.658 -7.004 -3.025
190 HB3 ASP 26 2HB ASP 26 -2.298 -7.594 -2.870
191 H ARG 27 H ARG 27 -0.242 -6.826 -0.239
192 HA ARG 27 HA ARG 27 -2.080 -8.342 1.420
193 HB2 ARG 27 1HB ARG 27 -0.225 -8.952 2.763
194 HB3 ARG 27 2HB ARG 27 0.183 -9.109 1.052
195 HG2 ARG 27 1HG ARG 27 1.465 -7.029 1.135
196 HG3 ARG 27 2HG ARG 27 0.984 -6.725 2.779
197 HD2 ARG 27 1HD ARG 27 2.156 -8.871 3.454
198 HD3 ARG 27 2HD ARG 27 2.663 -9.068 1.776
199 HE ARG 27 HE ARG 27 4.267 -7.370 2.022
200 HH11 ARG 27 2HH1 ARG 27 2.367 -7.420 4.985
201 HH12 ARG 27 1HH1 ARG 27 3.480 -6.343 5.782
202 HH21 ARG 27 2HH2 ARG 27 5.529 -6.041 3.014
203 HH22 ARG 27 1HH2 ARG 27 5.280 -5.579 4.698
204 H HIS 28 H HIS 28 -0.996 -5.034 1.637
205 HA HIS 28 HA HIS 28 -2.011 -4.646 4.371
206 HB2 HIS 28 1HB HIS 28 -0.298 -3.166 3.721
207 HB3 HIS 28 2HB HIS 28 -1.015 -2.829 2.156
208 HD1 HIS 28 1HD HIS 28 -1.538 -1.925 5.848
209 HD2 HIS 28 2HD HIS 28 -2.946 -1.025 1.986
210 HE1 HIS 28 1HE HIS 28 -3.075 0.071 6.122
211 H MET 29 H MET 29 -3.462 -4.247 1.046
212 HA MET 29 HA MET 29 -5.860 -3.083 1.930
213 HB2 MET 29 1HB MET 29 -5.680 -5.164 -0.272
214 HB3 MET 29 2HB MET 29 -6.913 -3.929 -0.066
215 HG2 MET 29 1HG MET 29 -4.031 -3.557 -0.863
216 HG3 MET 29 2HG MET 29 -5.454 -3.223 -1.820
217 HE1 MET 29 3HE MET 29 -6.766 0.137 -0.523
218 HE2 MET 29 1HE MET 29 -6.916 -1.199 -1.683
219 HE3 MET 29 2HE MET 29 -7.385 -1.445 0.013
220 H LEU 30 H LEU 30 -4.827 -6.367 2.461
221 HA LEU 30 HA LEU 30 -7.291 -7.649 3.070
222 HB2 LEU 30 1HB LEU 30 -4.595 -8.041 4.424
223 HB3 LEU 30 2HB LEU 30 -5.924 -9.183 4.394
224 HG LEU 30 HG LEU 30 -4.267 -8.317 1.986
225 HD11 LEU 30 1HD1 LEU 30 -4.389 -10.967 3.482
226 HD12 LEU 30 2HD1 LEU 30 -3.071 -9.781 3.581
227 HD13 LEU 30 3HD1 LEU 30 -3.398 -10.609 2.050
228 HD21 LEU 30 3HD2 LEU 30 -5.393 -10.137 0.774
229 HD22 LEU 30 1HD2 LEU 30 -6.531 -8.871 1.246
230 HD23 LEU 30 2HD2 LEU 30 -6.478 -10.399 2.160
231 H VAL 31 H VAL 31 -5.471 -5.264 4.972
232 HA VAL 31 HA VAL 31 -6.834 -5.827 7.473
233 HB VAL 31 HB VAL 31 -5.793 -4.021 8.413
234 HG11 VAL 31 1HG1 VAL 31 -3.474 -4.165 7.905
235 HG12 VAL 31 2HG1 VAL 31 -4.211 -5.769 7.745
236 HG13 VAL 31 3HG1 VAL 31 -3.797 -4.827 6.298
237 HG21 VAL 31 3HG2 VAL 31 -4.605 -2.192 7.151
238 HG22 VAL 31 1HG2 VAL 31 -5.524 -2.697 5.719
239 HG23 VAL 31 2HG2 VAL 31 -6.366 -2.134 7.165
240 H HIS 32 H HIS 32 -7.680 -4.024 4.660
241 HA HIS 32 HA HIS 32 -9.997 -2.682 5.951
242 HB2 HIS 32 1HB HIS 32 -9.053 -2.528 3.069
243 HB3 HIS 32 2HB HIS 32 -10.186 -1.462 3.897
244 HD1 HIS 32 1HD HIS 32 -8.701 -0.426 6.346
245 HD2 HIS 32 2HD HIS 32 -6.938 -1.143 2.597
246 HE1 HIS 32 1HE HIS 32 -6.632 1.042 6.273
247 H GLY 33 H GLY 33 -9.254 -5.194 3.546
248 HA2 GLY 33 1HA GLY 33 -10.447 -7.145 3.134
249 HA3 GLY 33 2HA GLY 33 -11.807 -6.536 4.065
250 H ASP 34 H ASP 34 -12.736 -7.762 2.170
251 HA ASP 34 HA ASP 34 -13.315 -5.977 -0.156
252 HB2 ASP 34 1HB ASP 34 -11.896 -8.000 -0.607
253 HB3 ASP 34 2HB ASP 34 -13.247 -9.011 -0.101
254 H LYS 35 H LYS 35 -14.670 -6.051 2.402
255 HA LYS 35 HA LYS 35 -17.146 -7.513 2.297
256 HB2 LYS 35 1HB LYS 35 -17.639 -6.338 4.370
257 HB3 LYS 35 2HB LYS 35 -15.963 -6.880 4.357
258 HG2 LYS 35 1HG LYS 35 -15.325 -4.497 3.602
259 HG3 LYS 35 2HG LYS 35 -17.002 -4.040 3.945
260 HD2 LYS 35 1HD LYS 35 -16.700 -4.877 6.291
261 HD3 LYS 35 2HD LYS 35 -15.006 -5.229 5.932
262 HE2 LYS 35 1HE LYS 35 -16.343 -2.484 5.867
263 HE3 LYS 35 2HE LYS 35 -15.288 -3.101 7.140
264 HZ1 LYS 35 3HZ LYS 35 -13.995 -1.731 5.700
265 HZ2 LYS 35 1HZ LYS 35 -14.484 -2.488 4.349
266 HZ3 LYS 35 2HZ LYS 35 -13.499 -3.262 5.400
267 H TRP 36 H TRP 36 -16.300 -4.559 0.869
268 HA TRP 36 HA TRP 36 -19.014 -3.429 0.672
269 HB2 TRP 36 1HB TRP 36 -17.462 -1.685 -0.675
270 HB3 TRP 36 2HB TRP 36 -17.744 -1.652 1.050
271 HD1 TRP 36 1HD TRP 36 -15.136 -3.712 -0.967
272 HE1 TRP 36 1HE TRP 36 -12.832 -3.418 0.155
273 HE3 TRP 36 3HE TRP 36 -16.390 -0.268 2.625
274 HZ2 TRP 36 2HZ TRP 36 -11.663 -1.771 2.170
275 HZ3 TRP 36 3HZ TRP 36 -14.637 0.690 4.099
276 HH2 TRP 36 2HH TRP 36 -12.269 -0.043 3.885
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 19.211 2.862 -6.780
2 H2 GLY 1 2H GLY 1 19.709 1.714 -5.723
3 H3 GLY 1 3H GLY 1 19.321 1.296 -7.260
4 HA2 GLY 1 1HA GLY 1 21.717 1.303 -6.975
5 HA3 GLY 1 2HA GLY 1 21.184 2.521 -8.149
6 H SER 2 H SER 2 22.393 4.335 -7.902
7 HA SER 2 HA SER 2 23.747 5.154 -5.525
8 HB2 SER 2 1HB SER 2 24.089 7.278 -6.776
9 HB3 SER 2 2HB SER 2 24.507 5.830 -7.706
10 HG SER 2 HG SER 2 23.254 7.330 -8.932
11 H SER 3 H SER 3 20.443 5.540 -6.408
12 HA SER 3 HA SER 3 19.568 7.746 -4.848
13 HB2 SER 3 1HB SER 3 17.406 6.453 -4.885
14 HB3 SER 3 2HB SER 3 18.151 6.642 -6.483
15 HG SER 3 HG SER 3 17.369 4.446 -5.784
16 H GLY 4 H GLY 4 20.611 4.521 -3.855
17 HA2 GLY 4 1HA GLY 4 20.867 3.549 -1.789
18 HA3 GLY 4 2HA GLY 4 20.434 5.078 -1.022
19 H SER 5 H SER 5 17.954 4.148 -3.167
20 HA SER 5 HA SER 5 16.455 2.414 -1.328
21 HB2 SER 5 1HB SER 5 16.111 4.650 -0.340
22 HB3 SER 5 2HB SER 5 15.543 5.265 -1.904
23 HG SER 5 HG SER 5 13.873 4.589 -0.367
24 H SER 6 H SER 6 14.648 1.463 -2.267
25 HA SER 6 HA SER 6 14.360 1.498 -5.184
26 HB2 SER 6 1HB SER 6 12.671 0.144 -3.047
27 HB3 SER 6 2HB SER 6 12.605 -0.163 -4.793
28 HG SER 6 HG SER 6 13.910 -1.706 -3.692
29 H GLY 7 H GLY 7 13.067 3.407 -2.636
30 HA2 GLY 7 1HA GLY 7 11.503 5.114 -2.635
31 HA3 GLY 7 2HA GLY 7 11.224 4.855 -4.356
32 H LEU 8 H LEU 8 9.061 5.484 -3.357
33 HA LEU 8 HA LEU 8 7.472 3.017 -2.781
34 HB2 LEU 8 1HB LEU 8 6.784 5.892 -2.079
35 HB3 LEU 8 2HB LEU 8 5.773 4.478 -1.789
36 HG LEU 8 HG LEU 8 8.491 4.992 -0.496
37 HD11 LEU 8 1HD1 LEU 8 6.710 6.521 0.286
38 HD12 LEU 8 2HD1 LEU 8 7.214 5.385 1.548
39 HD13 LEU 8 3HD1 LEU 8 5.688 5.120 0.681
40 HD21 LEU 8 3HD2 LEU 8 7.997 2.562 -0.695
41 HD22 LEU 8 1HD2 LEU 8 6.425 2.831 0.085
42 HD23 LEU 8 2HD2 LEU 8 7.930 3.107 0.983
43 H LEU 9 H LEU 9 5.993 2.448 -4.151
44 HA LEU 9 HA LEU 9 5.534 4.082 -6.636
45 HB2 LEU 9 1HB LEU 9 6.226 1.145 -6.254
46 HB3 LEU 9 2HB LEU 9 5.679 1.819 -7.780
47 HG LEU 9 HG LEU 9 8.236 2.617 -6.307
48 HD11 LEU 9 1HD1 LEU 9 8.304 0.330 -7.218
49 HD12 LEU 9 2HD1 LEU 9 9.382 1.412 -8.112
50 HD13 LEU 9 3HD1 LEU 9 7.816 0.940 -8.815
51 HD21 LEU 9 3HD2 LEU 9 7.206 3.400 -9.073
52 HD22 LEU 9 1HD2 LEU 9 8.836 3.739 -8.448
53 HD23 LEU 9 2HD2 LEU 9 7.434 4.490 -7.685
54 H TYR 10 H TYR 10 4.056 1.932 -4.293
55 HA TYR 10 HA TYR 10 1.486 1.955 -5.836
56 HB2 TYR 10 1HB TYR 10 2.534 -0.190 -3.956
57 HB3 TYR 10 2HB TYR 10 1.006 -0.209 -4.810
58 HD1 TYR 10 1HD TYR 10 4.692 -0.423 -5.224
59 HD2 TYR 10 2HD TYR 10 0.857 -0.728 -7.178
60 HE1 TYR 10 1HE TYR 10 5.799 -1.333 -7.274
61 HE2 TYR 10 2HE TYR 10 1.951 -1.693 -9.187
62 HH TYR 10 HH TYR 10 3.937 -2.281 -10.182
63 H ASP 11 H ASP 11 -0.445 2.289 -4.729
64 HA ASP 11 HA ASP 11 -0.192 3.372 -1.961
65 HB2 ASP 11 1HB ASP 11 -1.438 5.282 -2.563
66 HB3 ASP 11 2HB ASP 11 -0.115 5.133 -3.711
67 H CYS 12 H CYS 12 -1.801 3.215 -0.577
68 HA CYS 12 HA CYS 12 -4.070 1.406 -1.046
69 HB2 CYS 12 1HB CYS 12 -2.844 1.277 1.033
70 HB3 CYS 12 2HB CYS 12 -3.069 3.014 1.327
71 H HIS 13 H HIS 13 -6.072 2.034 -1.533
72 HA HIS 13 HA HIS 13 -6.698 4.915 -1.819
73 HB2 HIS 13 1HB HIS 13 -8.525 4.241 -3.219
74 HB3 HIS 13 2HB HIS 13 -7.022 3.515 -3.766
75 HD1 HIS 13 1HD HIS 13 -10.354 2.525 -2.112
76 HD2 HIS 13 2HD HIS 13 -6.924 0.857 -3.888
77 HE1 HIS 13 1HE HIS 13 -10.864 0.047 -2.465
78 H ILE 14 H ILE 14 -6.894 2.909 0.724
79 HA ILE 14 HA ILE 14 -9.569 3.873 1.675
80 HB ILE 14 HB ILE 14 -7.813 1.781 2.921
81 HG12 ILE 14 1HG1 ILE 14 -8.415 0.952 0.708
82 HG13 ILE 14 2HG1 ILE 14 -9.196 0.056 1.987
83 HG21 ILE 14 1HG2 ILE 14 -9.366 2.687 4.519
84 HG22 ILE 14 2HG2 ILE 14 -10.714 2.565 3.373
85 HG23 ILE 14 3HG2 ILE 14 -9.960 1.101 4.036
86 HD11 ILE 14 3HD1 ILE 14 -11.320 1.188 1.565
87 HD12 ILE 14 1HD1 ILE 14 -10.551 2.149 0.274
88 HD13 ILE 14 2HD1 ILE 14 -10.684 0.377 0.126
89 H CYS 15 H CYS 15 -6.111 3.729 2.576
90 HA CYS 15 HA CYS 15 -6.550 5.810 4.652
91 HB2 CYS 15 1HB CYS 15 -5.327 4.655 6.256
92 HB3 CYS 15 2HB CYS 15 -6.630 3.620 5.677
93 H GLU 16 H GLU 16 -5.031 5.321 1.901
94 HA GLU 16 HA GLU 16 -3.484 6.457 0.764
95 HB2 GLU 16 1HB GLU 16 -4.697 8.226 2.363
96 HB3 GLU 16 2HB GLU 16 -3.047 8.452 2.943
97 HG2 GLU 16 1HG GLU 16 -2.339 8.810 0.523
98 HG3 GLU 16 2HG GLU 16 -4.034 8.655 0.059
99 H ARG 17 H ARG 17 -2.496 4.593 3.133
100 HA ARG 17 HA ARG 17 0.336 5.147 3.350
101 HB2 ARG 17 1HB ARG 17 -1.498 2.834 3.887
102 HB3 ARG 17 2HB ARG 17 0.183 2.413 3.560
103 HG2 ARG 17 1HG ARG 17 1.025 3.794 5.309
104 HG3 ARG 17 2HG ARG 17 -0.553 4.545 5.601
105 HD2 ARG 17 1HD ARG 17 -0.159 1.544 5.867
106 HD3 ARG 17 2HD ARG 17 0.276 2.654 7.164
107 HE ARG 17 HE ARG 17 -2.466 2.849 5.980
108 HH11 ARG 17 2HH1 ARG 17 -0.649 1.992 8.864
109 HH12 ARG 17 1HH1 ARG 17 -2.085 2.032 9.850
110 HH21 ARG 17 2HH2 ARG 17 -4.157 2.838 7.196
111 HH22 ARG 17 1HH2 ARG 17 -4.066 2.519 8.924
112 H LYS 18 H LYS 18 2.066 4.052 2.374
113 HA LYS 18 HA LYS 18 1.620 3.206 -0.445
114 HB2 LYS 18 1HB LYS 18 3.307 5.565 0.429
115 HB3 LYS 18 2HB LYS 18 3.489 4.765 -1.141
116 HG2 LYS 18 1HG LYS 18 1.299 5.292 -1.847
117 HG3 LYS 18 2HG LYS 18 0.808 5.893 -0.267
118 HD2 LYS 18 1HD LYS 18 2.997 7.155 -1.955
119 HD3 LYS 18 2HD LYS 18 1.313 7.681 -1.987
120 HE2 LYS 18 1HE LYS 18 2.983 7.575 0.560
121 HE3 LYS 18 2HE LYS 18 2.906 9.000 -0.478
122 HZ1 LYS 18 3HZ LYS 18 1.291 9.148 1.328
123 HZ2 LYS 18 1HZ LYS 18 0.531 7.779 0.864
124 HZ3 LYS 18 2HZ LYS 18 0.511 9.100 -0.101
125 H PHE 19 H PHE 19 3.237 2.126 -1.452
126 HA PHE 19 HA PHE 19 5.178 0.732 0.364
127 HB2 PHE 19 1HB PHE 19 3.179 -0.479 -1.551
128 HB3 PHE 19 2HB PHE 19 4.317 -1.374 -0.573
129 HD1 PHE 19 1HD PHE 19 4.107 -1.575 1.853
130 HD2 PHE 19 2HD PHE 19 1.138 0.506 -0.463
131 HE1 PHE 19 1HE PHE 19 2.617 -1.564 3.808
132 HE2 PHE 19 2HE PHE 19 -0.335 0.626 1.545
133 HZ PHE 19 HZ PHE 19 0.415 -0.376 3.702
134 H LYS 20 H LYS 20 6.634 -0.717 -0.634
135 HA LYS 20 HA LYS 20 8.063 0.522 -2.822
136 HB2 LYS 20 1HB LYS 20 8.683 -2.124 -1.421
137 HB3 LYS 20 2HB LYS 20 9.764 -1.162 -2.409
138 HG2 LYS 20 1HG LYS 20 10.531 -0.534 -0.372
139 HG3 LYS 20 2HG LYS 20 9.335 0.723 -0.627
140 HD2 LYS 20 1HD LYS 20 9.155 -0.018 1.645
141 HD3 LYS 20 2HD LYS 20 7.725 -0.635 0.824
142 HE2 LYS 20 1HE LYS 20 8.975 -2.846 0.519
143 HE3 LYS 20 2HE LYS 20 10.268 -2.166 1.514
144 HZ1 LYS 20 3HZ LYS 20 8.535 -1.879 3.290
145 HZ2 LYS 20 1HZ LYS 20 8.809 -3.440 2.904
146 HZ3 LYS 20 2HZ LYS 20 7.462 -2.710 2.356
147 H ASN 21 H ASN 21 6.271 -2.510 -2.462
148 HA ASN 21 HA ASN 21 6.207 -2.790 -5.426
149 HB2 ASN 21 1HB ASN 21 6.291 -5.292 -5.116
150 HB3 ASN 21 2HB ASN 21 7.792 -4.464 -4.828
151 HD21 ASN 21 1HD2 ASN 21 8.803 -4.709 -2.845
152 HD22 ASN 21 2HD2 ASN 21 8.071 -5.609 -1.522
153 H GLU 22 H GLU 22 4.471 -4.067 -6.215
154 HA GLU 22 HA GLU 22 1.940 -3.171 -5.317
155 HB2 GLU 22 1HB GLU 22 2.708 -3.987 -7.653
156 HB3 GLU 22 2HB GLU 22 2.454 -5.620 -7.057
157 HG2 GLU 22 1HG GLU 22 0.073 -5.084 -6.608
158 HG3 GLU 22 2HG GLU 22 0.338 -3.418 -7.114
159 H LEU 23 H LEU 23 3.664 -6.215 -4.784
160 HA LEU 23 HA LEU 23 1.644 -7.727 -3.495
161 HB2 LEU 23 1HB LEU 23 3.609 -8.794 -4.299
162 HB3 LEU 23 2HB LEU 23 4.681 -7.723 -3.410
163 HG LEU 23 HG LEU 23 3.903 -8.743 -1.255
164 HD11 LEU 23 1HD1 LEU 23 2.341 -10.649 -3.052
165 HD12 LEU 23 2HD1 LEU 23 1.647 -9.505 -1.882
166 HD13 LEU 23 3HD1 LEU 23 2.619 -10.858 -1.309
167 HD21 LEU 23 3HD2 LEU 23 4.870 -10.763 -3.319
168 HD22 LEU 23 1HD2 LEU 23 5.033 -10.898 -1.552
169 HD23 LEU 23 2HD2 LEU 23 5.891 -9.616 -2.421
170 H ASP 24 H ASP 24 4.165 -5.613 -1.971
171 HA ASP 24 HA ASP 24 3.348 -6.078 0.662
172 HB2 ASP 24 1HB ASP 24 5.489 -4.983 -0.234
173 HB3 ASP 24 2HB ASP 24 4.570 -3.476 -0.226
174 H ARG 25 H ARG 25 2.138 -3.738 -1.660
175 HA ARG 25 HA ARG 25 0.319 -2.367 0.197
176 HB2 ARG 25 1HB ARG 25 1.320 -1.370 -1.886
177 HB3 ARG 25 2HB ARG 25 0.344 -2.400 -2.854
178 HG2 ARG 25 1HG ARG 25 -0.826 -0.427 -0.807
179 HG3 ARG 25 2HG ARG 25 -0.409 0.036 -2.458
180 HD2 ARG 25 1HD ARG 25 -2.542 -1.894 -1.553
181 HD3 ARG 25 2HD ARG 25 -2.754 -0.348 -2.346
182 HE ARG 25 HE ARG 25 -1.464 -2.746 -3.569
183 HH11 ARG 25 2HH1 ARG 25 -3.019 0.328 -4.236
184 HH12 ARG 25 1HH1 ARG 25 -3.463 -0.163 -5.853
185 HH21 ARG 25 2HH2 ARG 25 -2.318 -3.397 -5.449
186 HH22 ARG 25 1HH2 ARG 25 -2.963 -2.221 -6.588
187 H ASP 26 H ASP 26 -0.043 -4.926 -2.283
188 HA ASP 26 HA ASP 26 -2.845 -5.214 -2.032
189 HB2 ASP 26 1HB ASP 26 -0.618 -7.026 -2.994
190 HB3 ASP 26 2HB ASP 26 -2.250 -7.637 -2.837
191 H ARG 27 H ARG 27 -0.228 -6.914 -0.203
192 HA ARG 27 HA ARG 27 -2.130 -8.398 1.418
193 HB2 ARG 27 1HB ARG 27 -0.321 -9.057 2.795
194 HB3 ARG 27 2HB ARG 27 0.116 -9.231 1.096
195 HG2 ARG 27 1HG ARG 27 1.530 -7.273 1.187
196 HG3 ARG 27 2HG ARG 27 0.951 -6.832 2.783
197 HD2 ARG 27 1HD ARG 27 1.908 -8.972 3.676
198 HD3 ARG 27 2HD ARG 27 2.557 -9.320 2.060
199 HE ARG 27 HE ARG 27 3.498 -6.740 2.810
200 HH11 ARG 27 2HH1 ARG 27 3.998 -10.028 3.962
201 HH12 ARG 27 1HH1 ARG 27 5.572 -9.630 4.597
202 HH21 ARG 27 2HH2 ARG 27 5.390 -6.335 3.557
203 HH22 ARG 27 1HH2 ARG 27 6.374 -7.545 4.389
204 H HIS 28 H HIS 28 -1.015 -5.129 1.649
205 HA HIS 28 HA HIS 28 -2.031 -4.719 4.388
206 HB2 HIS 28 1HB HIS 28 -0.306 -3.250 3.763
207 HB3 HIS 28 2HB HIS 28 -0.994 -2.909 2.188
208 HD1 HIS 28 1HD HIS 28 -1.556 -1.988 5.866
209 HD2 HIS 28 2HD HIS 28 -2.919 -1.088 1.989
210 HE1 HIS 28 1HE HIS 28 -3.084 0.015 6.120
211 H MET 29 H MET 29 -3.452 -4.317 1.055
212 HA MET 29 HA MET 29 -5.852 -3.143 1.926
213 HB2 MET 29 1HB MET 29 -5.648 -5.207 -0.288
214 HB3 MET 29 2HB MET 29 -6.895 -3.988 -0.080
215 HG2 MET 29 1HG MET 29 -4.009 -3.571 -0.842
216 HG3 MET 29 2HG MET 29 -5.422 -3.266 -1.823
217 HE1 MET 29 3HE MET 29 -7.422 -1.535 -0.037
218 HE2 MET 29 1HE MET 29 -6.831 0.063 -0.550
219 HE3 MET 29 2HE MET 29 -6.924 -1.266 -1.722
220 H LEU 30 H LEU 30 -4.835 -6.431 2.472
221 HA LEU 30 HA LEU 30 -7.321 -7.691 3.066
222 HB2 LEU 30 1HB LEU 30 -4.619 -8.120 4.396
223 HB3 LEU 30 2HB LEU 30 -5.958 -9.243 4.382
224 HG LEU 30 HG LEU 30 -4.324 -8.394 1.953
225 HD11 LEU 30 1HD1 LEU 30 -3.117 -9.865 3.532
226 HD12 LEU 30 2HD1 LEU 30 -3.469 -10.693 2.007
227 HD13 LEU 30 3HD1 LEU 30 -4.446 -11.042 3.452
228 HD21 LEU 30 3HD2 LEU 30 -5.480 -10.209 0.758
229 HD22 LEU 30 1HD2 LEU 30 -6.602 -8.934 1.243
230 HD23 LEU 30 2HD2 LEU 30 -6.548 -10.459 2.161
231 H VAL 31 H VAL 31 -5.526 -5.306 4.943
232 HA VAL 31 HA VAL 31 -6.904 -5.863 7.450
233 HB VAL 31 HB VAL 31 -5.853 -4.076 8.393
234 HG11 VAL 31 1HG1 VAL 31 -4.289 -5.850 7.747
235 HG12 VAL 31 2HG1 VAL 31 -3.840 -4.914 6.306
236 HG13 VAL 31 3HG1 VAL 31 -3.525 -4.260 7.919
237 HG21 VAL 31 3HG2 VAL 31 -4.616 -2.266 7.145
238 HG22 VAL 31 1HG2 VAL 31 -5.543 -2.748 5.710
239 HG23 VAL 31 2HG2 VAL 31 -6.376 -2.178 7.157
240 H HIS 32 H HIS 32 -7.715 -4.124 4.612
241 HA HIS 32 HA HIS 32 -10.015 -2.708 5.861
242 HB2 HIS 32 1HB HIS 32 -9.000 -2.578 3.001
243 HB3 HIS 32 2HB HIS 32 -10.166 -1.512 3.773
244 HD1 HIS 32 1HD HIS 32 -8.713 -0.503 6.299
245 HD2 HIS 32 2HD HIS 32 -6.901 -1.166 2.563
246 HE1 HIS 32 1HE HIS 32 -6.642 0.963 6.277
247 H GLY 33 H GLY 33 -9.347 -4.947 3.142
248 HA2 GLY 33 1HA GLY 33 -10.656 -6.450 1.982
249 HA3 GLY 33 2HA GLY 33 -11.102 -6.956 3.609
250 H ASP 34 H ASP 34 -13.190 -7.234 3.772
251 HA ASP 34 HA ASP 34 -15.019 -5.024 3.080
252 HB2 ASP 34 1HB ASP 34 -15.209 -6.845 1.344
253 HB3 ASP 34 2HB ASP 34 -15.753 -7.932 2.625
254 H LYS 35 H LYS 35 -13.630 -5.583 5.402
255 HA LYS 35 HA LYS 35 -15.489 -6.823 7.380
256 HB2 LYS 35 1HB LYS 35 -13.428 -7.323 8.670
257 HB3 LYS 35 2HB LYS 35 -13.458 -8.069 7.074
258 HG2 LYS 35 1HG LYS 35 -11.946 -6.380 6.173
259 HG3 LYS 35 2HG LYS 35 -12.013 -5.448 7.674
260 HD2 LYS 35 1HD LYS 35 -9.937 -6.603 7.524
261 HD3 LYS 35 2HD LYS 35 -10.876 -7.316 8.848
262 HE2 LYS 35 1HE LYS 35 -11.410 -9.267 7.538
263 HE3 LYS 35 2HE LYS 35 -10.890 -8.491 6.035
264 HZ1 LYS 35 3HZ LYS 35 -8.626 -8.550 6.786
265 HZ2 LYS 35 1HZ LYS 35 -9.230 -10.066 6.881
266 HZ3 LYS 35 2HZ LYS 35 -9.038 -9.188 8.247
267 H TRP 36 H TRP 36 -15.571 -4.088 6.491
268 HA TRP 36 HA TRP 36 -14.564 -2.066 7.999
269 HB2 TRP 36 1HB TRP 36 -17.480 -2.051 7.221
270 HB3 TRP 36 2HB TRP 36 -16.329 -0.726 7.198
271 HD1 TRP 36 1HD TRP 36 -17.866 -3.357 5.096
272 HE1 TRP 36 1HE TRP 36 -16.828 -3.503 2.759
273 HE3 TRP 36 3HE TRP 36 -13.797 -0.331 5.855
274 HZ2 TRP 36 2HZ TRP 36 -14.550 -2.377 1.372
275 HZ3 TRP 36 3HZ TRP 36 -12.198 0.098 4.003
276 HH2 TRP 36 2HH TRP 36 -12.557 -0.929 1.765
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 6.063 14.411 -10.940
2 H2 GLY 1 2H GLY 1 6.660 14.581 -12.458
3 H3 GLY 1 3H GLY 1 7.676 14.299 -11.197
4 HA2 GLY 1 1HA GLY 1 5.628 12.405 -12.174
5 HA3 GLY 1 2HA GLY 1 7.362 12.294 -12.531
6 H SER 2 H SER 2 8.151 10.587 -11.365
7 HA SER 2 HA SER 2 7.321 9.925 -8.655
8 HB2 SER 2 1HB SER 2 9.349 8.471 -8.711
9 HB3 SER 2 2HB SER 2 8.231 8.200 -10.059
10 HG SER 2 HG SER 2 10.414 8.325 -10.769
11 H SER 3 H SER 3 10.043 11.667 -10.099
12 HA SER 3 HA SER 3 11.492 13.230 -9.385
13 HB2 SER 3 1HB SER 3 9.097 14.092 -7.749
14 HB3 SER 3 2HB SER 3 10.463 15.122 -8.210
15 HG SER 3 HG SER 3 9.908 14.936 -10.346
16 H GLY 4 H GLY 4 11.577 10.773 -7.645
17 HA2 GLY 4 1HA GLY 4 12.988 10.033 -5.973
18 HA3 GLY 4 2HA GLY 4 13.712 11.635 -5.948
19 H SER 5 H SER 5 13.943 11.104 -3.661
20 HA SER 5 HA SER 5 13.450 11.240 -1.454
21 HB2 SER 5 1HB SER 5 11.628 13.477 -2.386
22 HB3 SER 5 2HB SER 5 12.272 13.258 -0.750
23 HG SER 5 HG SER 5 13.755 13.736 -3.138
24 H SER 6 H SER 6 11.905 9.190 -2.664
25 HA SER 6 HA SER 6 9.752 8.897 -0.644
26 HB2 SER 6 1HB SER 6 8.524 9.906 -2.433
27 HB3 SER 6 2HB SER 6 9.265 8.841 -3.640
28 HG SER 6 HG SER 6 7.127 8.199 -2.959
29 H GLY 7 H GLY 7 10.813 7.169 -3.634
30 HA2 GLY 7 1HA GLY 7 11.647 4.990 -3.873
31 HA3 GLY 7 2HA GLY 7 11.627 4.789 -2.110
32 H LEU 8 H LEU 8 8.589 5.895 -2.897
33 HA LEU 8 HA LEU 8 7.525 3.113 -2.774
34 HB2 LEU 8 1HB LEU 8 6.222 5.705 -1.908
35 HB3 LEU 8 2HB LEU 8 5.627 4.063 -1.645
36 HG LEU 8 HG LEU 8 8.226 5.156 -0.468
37 HD11 LEU 8 1HD1 LEU 8 5.622 4.678 0.982
38 HD12 LEU 8 2HD1 LEU 8 6.147 6.273 0.385
39 HD13 LEU 8 3HD1 LEU 8 7.118 5.412 1.596
40 HD21 LEU 8 3HD2 LEU 8 8.208 2.686 -0.702
41 HD22 LEU 8 1HD2 LEU 8 6.657 2.621 0.160
42 HD23 LEU 8 2HD2 LEU 8 8.121 3.179 0.995
43 H LEU 9 H LEU 9 6.418 2.320 -4.299
44 HA LEU 9 HA LEU 9 5.688 3.966 -6.684
45 HB2 LEU 9 1HB LEU 9 6.339 1.029 -6.267
46 HB3 LEU 9 2HB LEU 9 5.766 1.688 -7.790
47 HG LEU 9 HG LEU 9 8.363 2.453 -6.370
48 HD11 LEU 9 1HD1 LEU 9 7.863 0.816 -8.892
49 HD12 LEU 9 2HD1 LEU 9 8.372 0.175 -7.315
50 HD13 LEU 9 3HD1 LEU 9 9.451 1.249 -8.216
51 HD21 LEU 9 3HD2 LEU 9 7.281 3.301 -9.094
52 HD22 LEU 9 1HD2 LEU 9 8.939 3.581 -8.520
53 HD23 LEU 9 2HD2 LEU 9 7.589 4.360 -7.698
54 H TYR 10 H TYR 10 4.215 1.950 -4.261
55 HA TYR 10 HA TYR 10 1.609 1.964 -5.742
56 HB2 TYR 10 1HB TYR 10 2.682 -0.136 -3.824
57 HB3 TYR 10 2HB TYR 10 1.128 -0.167 -4.624
58 HD1 TYR 10 1HD TYR 10 4.787 -0.443 -5.148
59 HD2 TYR 10 2HD TYR 10 0.899 -0.696 -6.999
60 HE1 TYR 10 1HE TYR 10 5.828 -1.365 -7.231
61 HE2 TYR 10 2HE TYR 10 1.929 -1.658 -9.047
62 HH TYR 10 HH TYR 10 3.879 -2.269 -10.094
63 H ASP 11 H ASP 11 -0.278 2.374 -4.644
64 HA ASP 11 HA ASP 11 -0.048 3.397 -1.858
65 HB2 ASP 11 1HB ASP 11 -1.229 5.368 -2.412
66 HB3 ASP 11 2HB ASP 11 0.123 5.232 -3.526
67 H CYS 12 H CYS 12 -1.738 3.298 -0.550
68 HA CYS 12 HA CYS 12 -3.967 1.460 -1.136
69 HB2 CYS 12 1HB CYS 12 -2.761 1.304 0.973
70 HB3 CYS 12 2HB CYS 12 -3.096 3.012 1.325
71 H HIS 13 H HIS 13 -5.892 2.134 -1.853
72 HA HIS 13 HA HIS 13 -6.531 5.007 -1.945
73 HB2 HIS 13 1HB HIS 13 -8.286 4.451 -3.445
74 HB3 HIS 13 2HB HIS 13 -6.793 3.686 -3.965
75 HD1 HIS 13 1HD HIS 13 -10.175 2.755 -2.339
76 HD2 HIS 13 2HD HIS 13 -6.921 1.090 -4.420
77 HE1 HIS 13 1HE HIS 13 -10.858 0.371 -2.945
78 H ILE 14 H ILE 14 -6.813 2.929 0.508
79 HA ILE 14 HA ILE 14 -9.532 3.821 1.382
80 HB ILE 14 HB ILE 14 -7.792 1.731 2.657
81 HG12 ILE 14 1HG1 ILE 14 -8.275 0.996 0.354
82 HG13 ILE 14 2HG1 ILE 14 -9.031 0.003 1.581
83 HG21 ILE 14 1HG2 ILE 14 -10.011 0.987 3.613
84 HG22 ILE 14 2HG2 ILE 14 -9.447 2.554 4.189
85 HG23 ILE 14 3HG2 ILE 14 -10.726 2.472 2.962
86 HD11 ILE 14 3HD1 ILE 14 -11.207 0.993 1.151
87 HD12 ILE 14 1HD1 ILE 14 -10.480 2.116 -0.035
88 HD13 ILE 14 2HD1 ILE 14 -10.482 0.358 -0.335
89 H CYS 15 H CYS 15 -6.117 3.722 2.416
90 HA CYS 15 HA CYS 15 -6.667 5.757 4.514
91 HB2 CYS 15 1HB CYS 15 -5.501 4.570 6.143
92 HB3 CYS 15 2HB CYS 15 -6.751 3.521 5.471
93 H GLU 16 H GLU 16 -5.003 5.323 1.821
94 HA GLU 16 HA GLU 16 -3.416 6.496 0.790
95 HB2 GLU 16 1HB GLU 16 -4.725 8.222 2.357
96 HB3 GLU 16 2HB GLU 16 -3.109 8.457 3.021
97 HG2 GLU 16 1HG GLU 16 -2.280 8.918 0.677
98 HG3 GLU 16 2HG GLU 16 -3.922 8.668 0.083
99 H ARG 17 H ARG 17 -2.522 4.540 3.085
100 HA ARG 17 HA ARG 17 0.307 5.138 3.438
101 HB2 ARG 17 1HB ARG 17 -1.526 2.802 3.901
102 HB3 ARG 17 2HB ARG 17 0.172 2.408 3.649
103 HG2 ARG 17 1HG ARG 17 0.916 3.771 5.446
104 HG3 ARG 17 2HG ARG 17 -0.668 4.533 5.655
105 HD2 ARG 17 1HD ARG 17 -0.311 1.529 5.962
106 HD3 ARG 17 2HD ARG 17 0.060 2.647 7.272
107 HE ARG 17 HE ARG 17 -2.611 2.851 5.941
108 HH11 ARG 17 2HH1 ARG 17 -0.952 2.003 8.923
109 HH12 ARG 17 1HH1 ARG 17 -2.440 2.054 9.831
110 HH21 ARG 17 2HH2 ARG 17 -4.360 2.854 7.066
111 HH22 ARG 17 1HH2 ARG 17 -4.366 2.545 8.798
112 H LYS 18 H LYS 18 2.067 3.926 2.540
113 HA LYS 18 HA LYS 18 1.699 3.140 -0.307
114 HB2 LYS 18 1HB LYS 18 3.535 5.368 0.649
115 HB3 LYS 18 2HB LYS 18 3.600 4.601 -0.951
116 HG2 LYS 18 1HG LYS 18 1.173 5.272 -1.255
117 HG3 LYS 18 2HG LYS 18 1.360 6.277 0.199
118 HD2 LYS 18 1HD LYS 18 3.288 7.437 -0.901
119 HD3 LYS 18 2HD LYS 18 3.022 6.437 -2.359
120 HE2 LYS 18 1HE LYS 18 0.721 7.277 -2.516
121 HE3 LYS 18 2HE LYS 18 0.981 8.277 -1.073
122 HZ1 LYS 18 3HZ LYS 18 1.276 9.581 -3.116
123 HZ2 LYS 18 1HZ LYS 18 2.457 8.585 -3.643
124 HZ3 LYS 18 2HZ LYS 18 2.691 9.504 -2.310
125 H PHE 19 H PHE 19 3.323 2.069 -1.314
126 HA PHE 19 HA PHE 19 5.275 0.631 0.451
127 HB2 PHE 19 1HB PHE 19 3.244 -0.658 -1.382
128 HB3 PHE 19 2HB PHE 19 4.390 -1.499 -0.369
129 HD1 PHE 19 1HD PHE 19 4.136 -1.567 2.115
130 HD2 PHE 19 2HD PHE 19 1.221 0.372 -0.393
131 HE1 PHE 19 1HE PHE 19 2.580 -1.418 4.043
132 HE2 PHE 19 2HE PHE 19 -0.326 0.558 1.552
133 HZ PHE 19 HZ PHE 19 0.360 -0.333 3.776
134 H LYS 20 H LYS 20 6.799 -0.713 -0.624
135 HA LYS 20 HA LYS 20 7.974 0.593 -2.936
136 HB2 LYS 20 1HB LYS 20 8.812 -1.868 -1.334
137 HB3 LYS 20 2HB LYS 20 9.768 -1.131 -2.622
138 HG2 LYS 20 1HG LYS 20 9.852 1.007 -1.336
139 HG3 LYS 20 2HG LYS 20 8.916 0.251 -0.041
140 HD2 LYS 20 1HD LYS 20 11.216 0.252 0.610
141 HD3 LYS 20 2HD LYS 20 10.743 -1.421 0.281
142 HE2 LYS 20 1HE LYS 20 11.817 -1.285 -1.958
143 HE3 LYS 20 2HE LYS 20 12.233 0.409 -1.663
144 HZ1 LYS 20 3HZ LYS 20 13.634 -0.330 0.192
145 HZ2 LYS 20 1HZ LYS 20 14.106 -1.064 -1.186
146 HZ3 LYS 20 2HZ LYS 20 13.245 -1.895 -0.077
147 H ASN 21 H ASN 21 6.261 -2.478 -2.492
148 HA ASN 21 HA ASN 21 6.275 -2.853 -5.451
149 HB2 ASN 21 1HB ASN 21 6.374 -5.335 -5.049
150 HB3 ASN 21 2HB ASN 21 7.861 -4.489 -4.699
151 HD21 ASN 21 1HD2 ASN 21 8.640 -4.441 -2.557
152 HD22 ASN 21 2HD2 ASN 21 7.736 -5.157 -1.210
153 H GLU 22 H GLU 22 4.541 -4.125 -6.247
154 HA GLU 22 HA GLU 22 2.001 -3.207 -5.398
155 HB2 GLU 22 1HB GLU 22 2.754 -4.037 -7.711
156 HB3 GLU 22 2HB GLU 22 2.555 -5.674 -7.101
157 HG2 GLU 22 1HG GLU 22 0.163 -5.228 -6.655
158 HG3 GLU 22 2HG GLU 22 0.365 -3.547 -7.153
159 H LEU 23 H LEU 23 3.700 -6.248 -4.806
160 HA LEU 23 HA LEU 23 1.669 -7.743 -3.525
161 HB2 LEU 23 1HB LEU 23 3.646 -8.802 -4.282
162 HB3 LEU 23 2HB LEU 23 4.708 -7.726 -3.376
163 HG LEU 23 HG LEU 23 3.876 -8.741 -1.235
164 HD11 LEU 23 1HD1 LEU 23 2.601 -10.861 -1.317
165 HD12 LEU 23 2HD1 LEU 23 2.372 -10.657 -3.067
166 HD13 LEU 23 3HD1 LEU 23 1.640 -9.511 -1.921
167 HD21 LEU 23 3HD2 LEU 23 5.022 -10.893 -1.499
168 HD22 LEU 23 1HD2 LEU 23 5.896 -9.608 -2.346
169 HD23 LEU 23 2HD2 LEU 23 4.905 -10.761 -3.268
170 H ASP 24 H ASP 24 4.167 -5.638 -1.983
171 HA ASP 24 HA ASP 24 3.277 -5.999 0.661
172 HB2 ASP 24 1HB ASP 24 4.957 -3.898 -0.683
173 HB3 ASP 24 2HB ASP 24 4.462 -3.697 0.992
174 H ARG 25 H ARG 25 2.105 -3.761 -1.752
175 HA ARG 25 HA ARG 25 0.323 -2.327 0.116
176 HB2 ARG 25 1HB ARG 25 1.366 -1.329 -1.953
177 HB3 ARG 25 2HB ARG 25 0.372 -2.332 -2.934
178 HG2 ARG 25 1HG ARG 25 -0.756 -0.342 -0.878
179 HG3 ARG 25 2HG ARG 25 -0.334 0.113 -2.529
180 HD2 ARG 25 1HD ARG 25 -2.506 -1.765 -1.612
181 HD3 ARG 25 2HD ARG 25 -2.683 -0.230 -2.421
182 HE ARG 25 HE ARG 25 -1.442 -2.656 -3.628
183 HH11 ARG 25 2HH1 ARG 25 -2.919 0.455 -4.293
184 HH12 ARG 25 1HH1 ARG 25 -3.358 -0.014 -5.918
185 HH21 ARG 25 2HH2 ARG 25 -2.277 -3.274 -5.531
186 HH22 ARG 25 1HH2 ARG 25 -2.897 -2.079 -6.665
187 H ASP 26 H ASP 26 -0.033 -4.885 -2.345
188 HA ASP 26 HA ASP 26 -2.850 -5.116 -2.146
189 HB2 ASP 26 1HB ASP 26 -0.632 -6.949 -3.108
190 HB3 ASP 26 2HB ASP 26 -2.271 -7.543 -2.971
191 H ARG 27 H ARG 27 -0.268 -6.868 -0.321
192 HA ARG 27 HA ARG 27 -2.172 -8.369 1.274
193 HB2 ARG 27 1HB ARG 27 -0.361 -9.054 2.639
194 HB3 ARG 27 2HB ARG 27 0.093 -9.173 0.940
195 HG2 ARG 27 1HG ARG 27 1.435 -7.142 1.109
196 HG3 ARG 27 2HG ARG 27 0.883 -6.827 2.729
197 HD2 ARG 27 1HD ARG 27 1.945 -9.039 3.429
198 HD3 ARG 27 2HD ARG 27 2.568 -9.190 1.786
199 HE ARG 27 HE ARG 27 4.105 -7.415 2.160
200 HH11 ARG 27 2HH1 ARG 27 2.210 -7.853 5.102
201 HH12 ARG 27 1HH1 ARG 27 3.325 -6.881 6.022
202 HH21 ARG 27 2HH2 ARG 27 5.364 -6.263 3.296
203 HH22 ARG 27 1HH2 ARG 27 5.128 -5.986 5.025
204 H HIS 28 H HIS 28 -0.960 -5.097 1.612
205 HA HIS 28 HA HIS 28 -2.053 -4.729 4.314
206 HB2 HIS 28 1HB HIS 28 -0.298 -3.265 3.720
207 HB3 HIS 28 2HB HIS 28 -0.972 -2.907 2.140
208 HD1 HIS 28 1HD HIS 28 -1.582 -2.021 5.828
209 HD2 HIS 28 2HD HIS 28 -2.884 -1.086 1.939
210 HE1 HIS 28 1HE HIS 28 -3.131 -0.032 6.080
211 H MET 29 H MET 29 -3.377 -4.239 0.958
212 HA MET 29 HA MET 29 -5.765 -3.006 1.797
213 HB2 MET 29 1HB MET 29 -5.470 -4.919 -0.549
214 HB3 MET 29 2HB MET 29 -6.750 -3.737 -0.294
215 HG2 MET 29 1HG MET 29 -4.458 -2.172 -0.081
216 HG3 MET 29 2HG MET 29 -4.008 -3.374 -1.282
217 HE1 MET 29 3HE MET 29 -7.352 -1.419 -0.408
218 HE2 MET 29 1HE MET 29 -6.014 -0.247 -0.380
219 HE3 MET 29 2HE MET 29 -7.268 -0.140 -1.632
220 H LEU 30 H LEU 30 -4.879 -6.339 2.238
221 HA LEU 30 HA LEU 30 -7.419 -7.538 2.688
222 HB2 LEU 30 1HB LEU 30 -4.820 -8.079 4.175
223 HB3 LEU 30 2HB LEU 30 -6.190 -9.166 4.030
224 HG LEU 30 HG LEU 30 -4.367 -8.293 1.750
225 HD11 LEU 30 1HD1 LEU 30 -4.659 -10.975 3.161
226 HD12 LEU 30 2HD1 LEU 30 -3.308 -9.838 3.361
227 HD13 LEU 30 3HD1 LEU 30 -3.580 -10.615 1.793
228 HD21 LEU 30 3HD2 LEU 30 -6.606 -8.748 0.872
229 HD22 LEU 30 1HD2 LEU 30 -6.650 -10.303 1.740
230 HD23 LEU 30 2HD2 LEU 30 -5.482 -10.035 0.422
231 H VAL 31 H VAL 31 -5.557 -5.319 4.784
232 HA VAL 31 HA VAL 31 -7.006 -5.947 7.201
233 HB VAL 31 HB VAL 31 -5.960 -4.188 8.246
234 HG11 VAL 31 1HG1 VAL 31 -4.410 -5.955 7.560
235 HG12 VAL 31 2HG1 VAL 31 -3.934 -4.982 6.153
236 HG13 VAL 31 3HG1 VAL 31 -3.631 -4.380 7.787
237 HG21 VAL 31 3HG2 VAL 31 -4.693 -2.348 7.081
238 HG22 VAL 31 1HG2 VAL 31 -5.588 -2.778 5.607
239 HG23 VAL 31 2HG2 VAL 31 -6.453 -2.242 7.049
240 H HIS 32 H HIS 32 -7.797 -4.008 4.476
241 HA HIS 32 HA HIS 32 -10.048 -2.617 5.792
242 HB2 HIS 32 1HB HIS 32 -9.125 -2.540 2.903
243 HB3 HIS 32 2HB HIS 32 -10.260 -1.442 3.684
244 HD1 HIS 32 1HD HIS 32 -8.787 -0.422 6.173
245 HD2 HIS 32 2HD HIS 32 -6.953 -1.239 2.484
246 HE1 HIS 32 1HE HIS 32 -6.642 0.930 6.169
247 H GLY 33 H GLY 33 -9.621 -5.653 4.499
248 HA2 GLY 33 1HA GLY 33 -12.008 -6.090 2.970
249 HA3 GLY 33 2HA GLY 33 -10.956 -7.319 3.671
250 H ASP 34 H ASP 34 -12.648 -4.902 5.621
251 HA ASP 34 HA ASP 34 -13.846 -6.965 7.303
252 HB2 ASP 34 1HB ASP 34 -12.632 -4.932 8.114
253 HB3 ASP 34 2HB ASP 34 -13.948 -3.940 7.487
254 H LYS 35 H LYS 35 -14.927 -7.013 4.754
255 HA LYS 35 HA LYS 35 -17.495 -5.590 4.598
256 HB2 LYS 35 1HB LYS 35 -16.215 -7.672 2.776
257 HB3 LYS 35 2HB LYS 35 -17.668 -6.737 2.405
258 HG2 LYS 35 1HG LYS 35 -16.361 -4.629 2.525
259 HG3 LYS 35 2HG LYS 35 -14.886 -5.561 2.855
260 HD2 LYS 35 1HD LYS 35 -15.142 -6.744 0.688
261 HD3 LYS 35 2HD LYS 35 -16.605 -5.793 0.347
262 HE2 LYS 35 1HE LYS 35 -15.269 -3.701 0.473
263 HE3 LYS 35 2HE LYS 35 -13.814 -4.645 0.816
264 HZ1 LYS 35 3HZ LYS 35 -14.066 -5.701 -1.371
265 HZ2 LYS 35 1HZ LYS 35 -13.966 -4.082 -1.542
266 HZ3 LYS 35 2HZ LYS 35 -15.410 -4.826 -1.686
267 H TRP 36 H TRP 36 -16.561 -8.543 5.958
268 HA TRP 36 HA TRP 36 -19.036 -10.042 5.456
269 HB2 TRP 36 1HB TRP 36 -17.868 -11.799 6.775
270 HB3 TRP 36 2HB TRP 36 -17.032 -11.279 5.326
271 HD1 TRP 36 1HD TRP 36 -14.721 -10.043 5.579
272 HE1 TRP 36 1HE TRP 36 -13.011 -9.868 7.481
273 HE3 TRP 36 3HE TRP 36 -17.656 -11.670 9.457
274 HZ2 TRP 36 2HZ TRP 36 -12.914 -10.397 10.318
275 HZ3 TRP 36 3HZ TRP 36 -16.715 -11.846 11.751
276 HH2 TRP 36 2HH TRP 36 -14.351 -11.214 12.193
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 18.039 23.353 -5.168
2 H2 GLY 1 2H GLY 1 18.831 22.089 -5.840
3 H3 GLY 1 3H GLY 1 19.120 22.497 -4.280
4 HA2 GLY 1 1HA GLY 1 17.739 20.531 -4.371
5 HA3 GLY 1 2HA GLY 1 16.889 21.899 -3.629
6 H SER 2 H SER 2 15.415 19.842 -4.598
7 HA SER 2 HA SER 2 13.861 21.088 -6.781
8 HB2 SER 2 1HB SER 2 13.765 19.070 -8.112
9 HB3 SER 2 2HB SER 2 15.454 19.550 -7.911
10 HG SER 2 HG SER 2 15.217 17.319 -7.556
11 H SER 3 H SER 3 11.773 19.795 -7.156
12 HA SER 3 HA SER 3 10.388 19.441 -4.638
13 HB2 SER 3 1HB SER 3 8.447 18.951 -6.132
14 HB3 SER 3 2HB SER 3 9.260 20.488 -6.467
15 HG SER 3 HG SER 3 8.816 19.285 -8.387
16 H GLY 4 H GLY 4 12.119 17.220 -6.640
17 HA2 GLY 4 1HA GLY 4 12.572 14.976 -6.377
18 HA3 GLY 4 2HA GLY 4 11.719 15.033 -4.839
19 H SER 5 H SER 5 11.158 12.836 -5.468
20 HA SER 5 HA SER 5 8.479 12.683 -6.639
21 HB2 SER 5 1HB SER 5 10.092 12.328 -8.570
22 HB3 SER 5 2HB SER 5 10.666 10.872 -7.735
23 HG SER 5 HG SER 5 8.975 10.468 -9.281
24 H SER 6 H SER 6 7.591 10.393 -6.324
25 HA SER 6 HA SER 6 7.951 9.651 -3.543
26 HB2 SER 6 1HB SER 6 5.770 9.520 -4.760
27 HB3 SER 6 2HB SER 6 6.414 8.151 -5.690
28 HG SER 6 HG SER 6 5.635 7.066 -4.043
29 H GLY 7 H GLY 7 9.153 8.106 -2.636
30 HA2 GLY 7 1HA GLY 7 10.845 6.273 -4.230
31 HA3 GLY 7 2HA GLY 7 10.865 6.496 -2.477
32 H LEU 8 H LEU 8 7.670 6.117 -3.343
33 HA LEU 8 HA LEU 8 7.650 3.133 -3.033
34 HB2 LEU 8 1HB LEU 8 5.937 5.226 -1.622
35 HB3 LEU 8 2HB LEU 8 5.688 3.485 -1.517
36 HG LEU 8 HG LEU 8 8.243 4.870 -0.581
37 HD11 LEU 8 1HD1 LEU 8 6.311 5.682 0.700
38 HD12 LEU 8 2HD1 LEU 8 7.366 4.655 1.683
39 HD13 LEU 8 3HD1 LEU 8 5.836 4.008 1.056
40 HD21 LEU 8 3HD2 LEU 8 7.116 2.120 0.093
41 HD22 LEU 8 1HD2 LEU 8 8.654 2.808 0.642
42 HD23 LEU 8 2HD2 LEU 8 8.430 2.412 -1.068
43 H LEU 9 H LEU 9 6.708 2.296 -4.729
44 HA LEU 9 HA LEU 9 5.443 3.962 -6.731
45 HB2 LEU 9 1HB LEU 9 6.176 1.026 -6.539
46 HB3 LEU 9 2HB LEU 9 5.451 1.726 -7.976
47 HG LEU 9 HG LEU 9 8.124 2.576 -6.762
48 HD11 LEU 9 1HD1 LEU 9 8.177 0.295 -7.688
49 HD12 LEU 9 2HD1 LEU 9 9.117 1.413 -8.688
50 HD13 LEU 9 3HD1 LEU 9 7.502 0.890 -9.222
51 HD21 LEU 9 3HD2 LEU 9 7.137 4.430 -8.034
52 HD22 LEU 9 1HD2 LEU 9 6.792 3.341 -9.400
53 HD23 LEU 9 2HD2 LEU 9 8.469 3.723 -8.948
54 H TYR 10 H TYR 10 4.083 1.759 -4.378
55 HA TYR 10 HA TYR 10 1.453 1.757 -5.825
56 HB2 TYR 10 1HB TYR 10 2.558 -0.352 -3.945
57 HB3 TYR 10 2HB TYR 10 1.053 -0.419 -4.834
58 HD1 TYR 10 1HD TYR 10 4.758 -0.508 -5.171
59 HD2 TYR 10 2HD TYR 10 0.988 -1.113 -7.168
60 HE1 TYR 10 1HE TYR 10 5.948 -1.435 -7.162
61 HE2 TYR 10 2HE TYR 10 2.156 -2.063 -9.116
62 HH TYR 10 HH TYR 10 4.194 -2.557 -10.076
63 H ASP 11 H ASP 11 -0.479 2.092 -4.635
64 HA ASP 11 HA ASP 11 -0.106 3.195 -1.884
65 HB2 ASP 11 1HB ASP 11 -1.268 5.165 -2.451
66 HB3 ASP 11 2HB ASP 11 0.021 4.955 -3.625
67 H CYS 12 H CYS 12 -1.778 3.303 -0.495
68 HA CYS 12 HA CYS 12 -4.126 1.542 -0.920
69 HB2 CYS 12 1HB CYS 12 -2.834 1.336 1.138
70 HB3 CYS 12 2HB CYS 12 -3.043 3.068 1.475
71 H HIS 13 H HIS 13 -6.056 2.368 -1.551
72 HA HIS 13 HA HIS 13 -6.433 5.292 -1.672
73 HB2 HIS 13 1HB HIS 13 -8.311 4.885 -3.061
74 HB3 HIS 13 2HB HIS 13 -6.949 3.940 -3.628
75 HD1 HIS 13 1HD HIS 13 -7.520 1.453 -4.141
76 HD2 HIS 13 2HD HIS 13 -10.270 3.403 -1.628
77 HE1 HIS 13 1HE HIS 13 -9.478 -0.155 -3.835
78 H ILE 14 H ILE 14 -6.873 3.131 0.769
79 HA ILE 14 HA ILE 14 -9.468 4.252 1.725
80 HB ILE 14 HB ILE 14 -7.921 1.860 2.782
81 HG12 ILE 14 1HG1 ILE 14 -10.051 0.700 1.720
82 HG13 ILE 14 2HG1 ILE 14 -10.022 2.067 0.611
83 HG21 ILE 14 1HG2 ILE 14 -10.067 1.304 3.864
84 HG22 ILE 14 2HG2 ILE 14 -9.446 2.846 4.438
85 HG23 ILE 14 3HG2 ILE 14 -10.774 2.813 3.251
86 HD11 ILE 14 3HD1 ILE 14 -7.741 1.371 -0.113
87 HD12 ILE 14 1HD1 ILE 14 -7.758 0.087 1.115
88 HD13 ILE 14 2HD1 ILE 14 -8.895 0.037 -0.240
89 H CYS 15 H CYS 15 -6.113 3.763 2.765
90 HA CYS 15 HA CYS 15 -6.481 5.857 4.858
91 HB2 CYS 15 1HB CYS 15 -5.192 4.696 6.417
92 HB3 CYS 15 2HB CYS 15 -6.515 3.665 5.877
93 H GLU 16 H GLU 16 -5.037 5.445 2.065
94 HA GLU 16 HA GLU 16 -3.549 6.656 0.919
95 HB2 GLU 16 1HB GLU 16 -4.794 8.344 2.610
96 HB3 GLU 16 2HB GLU 16 -3.125 8.654 3.084
97 HG2 GLU 16 1HG GLU 16 -2.583 9.074 0.648
98 HG3 GLU 16 2HG GLU 16 -4.277 8.767 0.258
99 H ARG 17 H ARG 17 -2.443 4.684 3.027
100 HA ARG 17 HA ARG 17 0.390 5.415 3.235
101 HB2 ARG 17 1HB ARG 17 -1.094 2.765 3.542
102 HB3 ARG 17 2HB ARG 17 0.647 2.943 3.806
103 HG2 ARG 17 1HG ARG 17 0.284 4.560 5.605
104 HG3 ARG 17 2HG ARG 17 -1.454 4.542 5.293
105 HD2 ARG 17 1HD ARG 17 -1.407 2.040 5.770
106 HD3 ARG 17 2HD ARG 17 0.244 2.242 6.351
107 HE ARG 17 HE ARG 17 -2.275 3.207 7.584
108 HH11 ARG 17 2HH1 ARG 17 1.224 3.322 7.828
109 HH12 ARG 17 1HH1 ARG 17 1.177 3.893 9.474
110 HH21 ARG 17 2HH2 ARG 17 -2.253 3.912 9.684
111 HH22 ARG 17 1HH2 ARG 17 -0.743 4.217 10.492
112 H LYS 18 H LYS 18 2.053 4.072 2.348
113 HA LYS 18 HA LYS 18 1.619 3.249 -0.482
114 HB2 LYS 18 1HB LYS 18 3.703 5.287 0.374
115 HB3 LYS 18 2HB LYS 18 3.558 4.534 -1.223
116 HG2 LYS 18 1HG LYS 18 1.282 5.511 -1.473
117 HG3 LYS 18 2HG LYS 18 1.534 6.420 0.026
118 HD2 LYS 18 1HD LYS 18 3.312 6.591 -2.450
119 HD3 LYS 18 2HD LYS 18 2.011 7.726 -2.054
120 HE2 LYS 18 1HE LYS 18 3.158 8.347 0.045
121 HE3 LYS 18 2HE LYS 18 4.455 7.197 -0.300
122 HZ1 LYS 18 3HZ LYS 18 5.048 9.464 -0.963
123 HZ2 LYS 18 1HZ LYS 18 3.796 9.535 -2.005
124 HZ3 LYS 18 2HZ LYS 18 5.027 8.485 -2.271
125 H PHE 19 H PHE 19 3.124 1.919 -1.412
126 HA PHE 19 HA PHE 19 5.048 0.538 0.406
127 HB2 PHE 19 1HB PHE 19 3.111 -0.712 -1.548
128 HB3 PHE 19 2HB PHE 19 4.139 -1.560 -0.416
129 HD1 PHE 19 1HD PHE 19 3.672 -1.507 2.028
130 HD2 PHE 19 2HD PHE 19 1.039 0.400 -0.803
131 HE1 PHE 19 1HE PHE 19 1.983 -1.172 3.825
132 HE2 PHE 19 2HE PHE 19 -0.632 0.769 1.002
133 HZ PHE 19 HZ PHE 19 -0.145 -0.008 3.317
134 H LYS 20 H LYS 20 6.696 -0.637 -0.573
135 HA LYS 20 HA LYS 20 7.845 0.674 -2.868
136 HB2 LYS 20 1HB LYS 20 8.993 -0.293 -0.753
137 HB3 LYS 20 2HB LYS 20 8.804 -1.868 -1.491
138 HG2 LYS 20 1HG LYS 20 10.988 -1.218 -2.051
139 HG3 LYS 20 2HG LYS 20 10.047 -0.978 -3.519
140 HD2 LYS 20 1HD LYS 20 11.550 0.869 -3.320
141 HD3 LYS 20 2HD LYS 20 9.921 1.450 -3.047
142 HE2 LYS 20 1HE LYS 20 11.313 2.539 -1.456
143 HE3 LYS 20 2HE LYS 20 10.360 1.362 -0.552
144 HZ1 LYS 20 3HZ LYS 20 13.175 0.968 -1.432
145 HZ2 LYS 20 1HZ LYS 20 12.309 -0.118 -0.569
146 HZ3 LYS 20 2HZ LYS 20 12.710 1.319 0.089
147 H ASN 21 H ASN 21 6.361 -2.486 -2.386
148 HA ASN 21 HA ASN 21 6.373 -2.938 -5.345
149 HB2 ASN 21 1HB ASN 21 6.553 -5.389 -4.883
150 HB3 ASN 21 2HB ASN 21 7.999 -4.502 -4.477
151 HD21 ASN 21 1HD2 ASN 21 8.653 -4.375 -2.280
152 HD22 ASN 21 2HD2 ASN 21 7.708 -5.130 -0.979
153 H GLU 22 H GLU 22 4.681 -4.284 -6.132
154 HA GLU 22 HA GLU 22 2.124 -3.407 -5.254
155 HB2 GLU 22 1HB GLU 22 2.843 -4.114 -7.599
156 HB3 GLU 22 2HB GLU 22 2.817 -5.765 -7.055
157 HG2 GLU 22 1HG GLU 22 0.843 -5.208 -8.342
158 HG3 GLU 22 2HG GLU 22 0.426 -5.684 -6.706
159 H LEU 23 H LEU 23 3.929 -6.360 -4.603
160 HA LEU 23 HA LEU 23 1.878 -7.926 -3.380
161 HB2 LEU 23 1HB LEU 23 3.882 -8.966 -4.074
162 HB3 LEU 23 2HB LEU 23 4.913 -7.841 -3.198
163 HG LEU 23 HG LEU 23 4.075 -8.805 -1.028
164 HD11 LEU 23 1HD1 LEU 23 1.876 -9.673 -1.740
165 HD12 LEU 23 2HD1 LEU 23 2.869 -10.965 -1.064
166 HD13 LEU 23 3HD1 LEU 23 2.673 -10.834 -2.827
167 HD21 LEU 23 3HD2 LEU 23 6.141 -9.636 -2.076
168 HD22 LEU 23 1HD2 LEU 23 5.205 -10.847 -2.983
169 HD23 LEU 23 2HD2 LEU 23 5.293 -10.926 -1.208
170 H ASP 24 H ASP 24 4.247 -5.658 -1.880
171 HA ASP 24 HA ASP 24 3.309 -5.932 0.763
172 HB2 ASP 24 1HB ASP 24 5.038 -3.943 -0.671
173 HB3 ASP 24 2HB ASP 24 4.357 -3.472 0.879
174 H ARG 25 H ARG 25 2.162 -3.814 -1.789
175 HA ARG 25 HA ARG 25 0.246 -2.399 -0.084
176 HB2 ARG 25 1HB ARG 25 1.232 -1.472 -2.207
177 HB3 ARG 25 2HB ARG 25 0.305 -2.610 -3.125
178 HG2 ARG 25 1HG ARG 25 -1.194 -0.883 -1.150
179 HG3 ARG 25 2HG ARG 25 -0.488 -0.075 -2.542
180 HD2 ARG 25 1HD ARG 25 -2.407 -2.413 -2.737
181 HD3 ARG 25 2HD ARG 25 -2.856 -0.712 -2.845
182 HE ARG 25 HE ARG 25 -1.011 -2.119 -4.759
183 HH11 ARG 25 2HH1 ARG 25 -3.196 0.606 -4.356
184 HH12 ARG 25 1HH1 ARG 25 -3.507 0.688 -6.070
185 HH21 ARG 25 2HH2 ARG 25 -1.353 -1.882 -6.845
186 HH22 ARG 25 1HH2 ARG 25 -2.414 -0.625 -7.463
187 H ASP 26 H ASP 26 0.025 -5.148 -2.367
188 HA ASP 26 HA ASP 26 -2.774 -5.508 -2.120
189 HB2 ASP 26 1HB ASP 26 -0.476 -7.356 -2.867
190 HB3 ASP 26 2HB ASP 26 -2.085 -8.013 -2.643
191 H ARG 27 H ARG 27 -0.116 -7.016 -0.171
192 HA ARG 27 HA ARG 27 -1.999 -8.409 1.528
193 HB2 ARG 27 1HB ARG 27 -0.232 -8.983 2.958
194 HB3 ARG 27 2HB ARG 27 0.220 -9.264 1.279
195 HG2 ARG 27 1HG ARG 27 1.726 -7.397 1.282
196 HG3 ARG 27 2HG ARG 27 1.108 -6.774 2.796
197 HD2 ARG 27 1HD ARG 27 1.963 -8.749 3.995
198 HD3 ARG 27 2HD ARG 27 2.389 -9.532 2.463
199 HE ARG 27 HE ARG 27 3.857 -7.077 2.659
200 HH11 ARG 27 1HH1 ARG 27 3.837 -10.255 4.172
201 HH12 ARG 27 2HH1 ARG 27 5.549 -10.184 4.492
202 HH21 ARG 27 2HH2 ARG 27 5.931 -7.075 3.044
203 HH22 ARG 27 1HH2 ARG 27 6.738 -8.401 3.883
204 H HIS 28 H HIS 28 -0.867 -5.106 1.646
205 HA HIS 28 HA HIS 28 -1.996 -4.628 4.310
206 HB2 HIS 28 1HB HIS 28 -0.266 -3.158 3.551
207 HB3 HIS 28 2HB HIS 28 -1.097 -2.821 2.036
208 HD1 HIS 28 1HD HIS 28 -1.404 -1.984 5.779
209 HD2 HIS 28 2HD HIS 28 -3.020 -1.014 2.019
210 HE1 HIS 28 1HE HIS 28 -2.889 0.034 6.168
211 H MET 29 H MET 29 -3.326 -4.358 0.916
212 HA MET 29 HA MET 29 -5.730 -3.102 1.740
213 HB2 MET 29 1HB MET 29 -5.485 -5.060 -0.555
214 HB3 MET 29 2HB MET 29 -6.725 -3.841 -0.309
215 HG2 MET 29 1HG MET 29 -4.604 -2.196 -0.278
216 HG3 MET 29 2HG MET 29 -3.897 -3.528 -1.188
217 HE1 MET 29 3HE MET 29 -6.222 -0.495 -1.174
218 HE2 MET 29 1HE MET 29 -7.288 -0.756 -2.570
219 HE3 MET 29 2HE MET 29 -7.463 -1.768 -1.124
220 H LEU 30 H LEU 30 -4.787 -6.406 2.251
221 HA LEU 30 HA LEU 30 -7.287 -7.663 2.739
222 HB2 LEU 30 1HB LEU 30 -4.683 -8.043 4.268
223 HB3 LEU 30 2HB LEU 30 -6.018 -9.181 4.183
224 HG LEU 30 HG LEU 30 -4.224 -8.378 1.859
225 HD11 LEU 30 1HD1 LEU 30 -3.109 -9.784 3.554
226 HD12 LEU 30 2HD1 LEU 30 -3.354 -10.665 2.036
227 HD13 LEU 30 3HD1 LEU 30 -4.418 -10.980 3.427
228 HD21 LEU 30 3HD2 LEU 30 -5.287 -10.242 0.642
229 HD22 LEU 30 1HD2 LEU 30 -6.448 -8.964 1.016
230 HD23 LEU 30 2HD2 LEU 30 -6.439 -10.462 1.980
231 H VAL 31 H VAL 31 -5.533 -5.286 4.746
232 HA VAL 31 HA VAL 31 -7.042 -5.827 7.157
233 HB VAL 31 HB VAL 31 -6.014 -4.038 8.147
234 HG11 VAL 31 1HG1 VAL 31 -3.930 -4.897 6.143
235 HG12 VAL 31 2HG1 VAL 31 -3.676 -4.233 7.763
236 HG13 VAL 31 3HG1 VAL 31 -4.440 -5.821 7.572
237 HG21 VAL 31 3HG2 VAL 31 -4.719 -2.242 6.945
238 HG22 VAL 31 1HG2 VAL 31 -5.586 -2.727 5.474
239 HG23 VAL 31 2HG2 VAL 31 -6.478 -2.142 6.880
240 H HIS 32 H HIS 32 -7.767 -4.092 4.311
241 HA HIS 32 HA HIS 32 -10.080 -2.643 5.494
242 HB2 HIS 32 1HB HIS 32 -8.843 -2.438 2.726
243 HB3 HIS 32 2HB HIS 32 -10.073 -1.381 3.408
244 HD1 HIS 32 1HD HIS 32 -8.973 -0.327 6.014
245 HD2 HIS 32 2HD HIS 32 -6.555 -1.253 2.699
246 HE1 HIS 32 1HE HIS 32 -6.835 1.002 6.330
247 H GLY 33 H GLY 33 -9.552 -5.638 4.032
248 HA2 GLY 33 1HA GLY 33 -11.687 -5.774 2.118
249 HA3 GLY 33 2HA GLY 33 -10.820 -7.132 2.827
250 H ASP 34 H ASP 34 -13.758 -5.402 2.766
251 HA ASP 34 HA ASP 34 -14.833 -6.413 5.294
252 HB2 ASP 34 1HB ASP 34 -15.366 -4.181 4.380
253 HB3 ASP 34 2HB ASP 34 -16.134 -4.931 2.981
254 H LYS 35 H LYS 35 -15.112 -7.296 1.905
255 HA LYS 35 HA LYS 35 -16.821 -9.681 2.571
256 HB2 LYS 35 1HB LYS 35 -16.994 -7.836 0.151
257 HB3 LYS 35 2HB LYS 35 -17.941 -9.310 0.383
258 HG2 LYS 35 1HG LYS 35 -18.970 -8.355 2.424
259 HG3 LYS 35 2HG LYS 35 -18.036 -6.863 2.188
260 HD2 LYS 35 1HD LYS 35 -19.147 -6.463 0.031
261 HD3 LYS 35 2HD LYS 35 -20.043 -7.978 0.201
262 HE2 LYS 35 1HE LYS 35 -21.520 -6.197 0.830
263 HE3 LYS 35 2HE LYS 35 -21.111 -7.113 2.282
264 HZ1 LYS 35 3HZ LYS 35 -21.002 -4.708 2.651
265 HZ2 LYS 35 1HZ LYS 35 -19.857 -4.531 1.504
266 HZ3 LYS 35 2HZ LYS 35 -19.525 -5.353 2.883
267 H TRP 36 H TRP 36 -13.823 -8.844 1.394
268 HA TRP 36 HA TRP 36 -13.533 -11.266 -0.319
269 HB2 TRP 36 1HB TRP 36 -12.438 -8.486 -0.867
270 HB3 TRP 36 2HB TRP 36 -12.223 -9.916 -1.860
271 HD1 TRP 36 1HD TRP 36 -14.315 -6.940 -1.568
272 HE1 TRP 36 1HE TRP 36 -16.422 -7.066 -3.033
273 HE3 TRP 36 3HE TRP 36 -14.212 -11.937 -2.712
274 HZ2 TRP 36 2HZ TRP 36 -17.888 -9.078 -4.488
275 HZ3 TRP 36 3HZ TRP 36 -15.984 -12.929 -4.144
276 HH2 TRP 36 2HH TRP 36 -17.823 -11.516 -5.036
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 12.668 11.210 11.778
2 H2 GLY 1 2H GLY 1 13.583 9.930 12.228
3 H3 GLY 1 3H GLY 1 11.951 9.849 12.345
4 HA2 GLY 1 1HA GLY 1 12.701 8.581 10.444
5 HA3 GLY 1 2HA GLY 1 11.693 9.958 9.963
6 H SER 2 H SER 2 13.622 8.596 8.315
7 HA SER 2 HA SER 2 16.089 10.036 8.091
8 HB2 SER 2 1HB SER 2 14.605 8.411 5.993
9 HB3 SER 2 2HB SER 2 16.313 8.886 5.943
10 HG SER 2 HG SER 2 16.030 6.749 6.747
11 H SER 3 H SER 3 16.819 11.479 6.476
12 HA SER 3 HA SER 3 15.084 13.635 5.761
13 HB2 SER 3 1HB SER 3 17.831 12.934 4.662
14 HB3 SER 3 2HB SER 3 17.017 14.504 4.533
15 HG SER 3 HG SER 3 18.508 14.439 6.285
16 H GLY 4 H GLY 4 14.436 14.406 3.699
17 HA2 GLY 4 1HA GLY 4 13.623 14.270 1.529
18 HA3 GLY 4 2HA GLY 4 14.673 12.885 1.251
19 H SER 5 H SER 5 13.168 11.658 0.159
20 HA SER 5 HA SER 5 10.879 10.528 1.723
21 HB2 SER 5 1HB SER 5 10.826 11.346 -1.205
22 HB3 SER 5 2HB SER 5 9.546 10.468 -0.348
23 HG SER 5 HG SER 5 9.157 12.742 -0.455
24 H SER 6 H SER 6 10.512 8.373 1.502
25 HA SER 6 HA SER 6 12.595 6.671 0.443
26 HB2 SER 6 1HB SER 6 9.821 5.976 1.478
27 HB3 SER 6 2HB SER 6 11.147 4.831 1.197
28 HG SER 6 HG SER 6 11.023 5.502 3.398
29 H GLY 7 H GLY 7 12.435 5.057 -1.187
30 HA2 GLY 7 1HA GLY 7 10.942 5.760 -3.592
31 HA3 GLY 7 2HA GLY 7 11.976 4.346 -3.358
32 H LEU 8 H LEU 8 8.794 5.633 -3.244
33 HA LEU 8 HA LEU 8 7.584 2.950 -2.722
34 HB2 LEU 8 1HB LEU 8 6.578 5.671 -1.812
35 HB3 LEU 8 2HB LEU 8 5.762 4.127 -1.556
36 HG LEU 8 HG LEU 8 8.516 4.785 -0.405
37 HD11 LEU 8 1HD1 LEU 8 5.808 4.908 0.953
38 HD12 LEU 8 2HD1 LEU 8 6.817 6.303 0.492
39 HD13 LEU 8 3HD1 LEU 8 7.393 5.160 1.713
40 HD21 LEU 8 3HD2 LEU 8 8.002 2.350 -0.608
41 HD22 LEU 8 1HD2 LEU 8 6.520 2.615 0.337
42 HD23 LEU 8 2HD2 LEU 8 8.109 2.890 1.072
43 H LEU 9 H LEU 9 6.225 2.276 -4.158
44 HA LEU 9 HA LEU 9 5.622 3.995 -6.544
45 HB2 LEU 9 1HB LEU 9 6.268 1.046 -6.221
46 HB3 LEU 9 2HB LEU 9 5.732 1.763 -7.732
47 HG LEU 9 HG LEU 9 8.298 2.479 -6.234
48 HD11 LEU 9 1HD1 LEU 9 9.424 1.316 -8.083
49 HD12 LEU 9 2HD1 LEU 9 7.851 0.896 -8.798
50 HD13 LEU 9 3HD1 LEU 9 8.329 0.224 -7.224
51 HD21 LEU 9 3HD2 LEU 9 8.920 3.661 -8.338
52 HD22 LEU 9 1HD2 LEU 9 7.542 4.414 -7.536
53 HD23 LEU 9 2HD2 LEU 9 7.278 3.385 -8.963
54 H TYR 10 H TYR 10 4.115 1.849 -4.233
55 HA TYR 10 HA TYR 10 1.551 1.904 -5.790
56 HB2 TYR 10 1HB TYR 10 2.568 -0.245 -3.899
57 HB3 TYR 10 2HB TYR 10 1.053 -0.265 -4.760
58 HD1 TYR 10 1HD TYR 10 4.734 -0.500 -5.141
59 HD2 TYR 10 2HD TYR 10 0.929 -0.742 -7.158
60 HE1 TYR 10 1HE TYR 10 5.864 -1.422 -7.171
61 HE2 TYR 10 2HE TYR 10 2.047 -1.695 -9.163
62 HH TYR 10 HH TYR 10 4.040 -2.306 -10.124
63 H ASP 11 H ASP 11 -0.348 2.399 -4.748
64 HA ASP 11 HA ASP 11 -0.107 3.385 -1.945
65 HB2 ASP 11 1HB ASP 11 -1.324 5.323 -2.508
66 HB3 ASP 11 2HB ASP 11 0.020 5.182 -3.630
67 H CYS 12 H CYS 12 -1.746 3.289 -0.585
68 HA CYS 12 HA CYS 12 -4.004 1.461 -1.057
69 HB2 CYS 12 1HB CYS 12 -2.773 1.322 1.021
70 HB3 CYS 12 2HB CYS 12 -3.007 3.057 1.328
71 H HIS 13 H HIS 13 -5.989 2.103 -1.579
72 HA HIS 13 HA HIS 13 -6.612 4.991 -1.806
73 HB2 HIS 13 1HB HIS 13 -8.419 4.351 -3.247
74 HB3 HIS 13 2HB HIS 13 -6.902 3.660 -3.798
75 HD1 HIS 13 1HD HIS 13 -10.235 2.578 -2.193
76 HD2 HIS 13 2HD HIS 13 -6.806 1.019 -4.067
77 HE1 HIS 13 1HE HIS 13 -10.739 0.123 -2.676
78 H ILE 14 H ILE 14 -6.830 2.941 0.684
79 HA ILE 14 HA ILE 14 -9.525 3.864 1.611
80 HB ILE 14 HB ILE 14 -7.793 1.769 2.876
81 HG12 ILE 14 1HG1 ILE 14 -8.292 0.979 0.617
82 HG13 ILE 14 2HG1 ILE 14 -9.090 0.041 1.855
83 HG21 ILE 14 1HG2 ILE 14 -9.990 1.055 3.880
84 HG22 ILE 14 2HG2 ILE 14 -9.427 2.640 4.413
85 HG23 ILE 14 3HG2 ILE 14 -10.719 2.523 3.203
86 HD11 ILE 14 3HD1 ILE 14 -10.524 0.359 -0.058
87 HD12 ILE 14 1HD1 ILE 14 -11.225 1.107 1.383
88 HD13 ILE 14 2HD1 ILE 14 -10.456 2.129 0.143
89 H CYS 15 H CYS 15 -6.087 3.688 2.584
90 HA CYS 15 HA CYS 15 -6.550 5.814 4.611
91 HB2 CYS 15 1HB CYS 15 -5.240 4.738 6.204
92 HB3 CYS 15 2HB CYS 15 -6.543 3.688 5.689
93 H GLU 16 H GLU 16 -5.116 5.480 1.843
94 HA GLU 16 HA GLU 16 -3.536 6.685 0.733
95 HB2 GLU 16 1HB GLU 16 -4.085 8.360 3.180
96 HB3 GLU 16 2HB GLU 16 -2.978 8.930 1.915
97 HG2 GLU 16 1HG GLU 16 -4.778 8.648 0.226
98 HG3 GLU 16 2HG GLU 16 -5.884 8.111 1.492
99 H ARG 17 H ARG 17 -2.522 4.706 2.936
100 HA ARG 17 HA ARG 17 0.297 5.422 3.230
101 HB2 ARG 17 1HB ARG 17 -1.271 2.831 3.557
102 HB3 ARG 17 2HB ARG 17 0.485 2.902 3.752
103 HG2 ARG 17 1HG ARG 17 0.296 4.574 5.529
104 HG3 ARG 17 2HG ARG 17 -1.466 4.614 5.331
105 HD2 ARG 17 1HD ARG 17 -1.568 2.198 5.894
106 HD3 ARG 17 2HD ARG 17 0.179 2.165 6.097
107 HE ARG 17 HE ARG 17 0.019 3.195 8.154
108 HH11 ARG 17 2HH1 ARG 17 -3.230 3.451 6.720
109 HH12 ARG 17 1HH1 ARG 17 -3.880 4.001 8.234
110 HH21 ARG 17 2HH2 ARG 17 -0.948 3.910 9.989
111 HH22 ARG 17 1HH2 ARG 17 -2.650 4.260 10.005
112 H LYS 18 H LYS 18 1.999 4.048 2.398
113 HA LYS 18 HA LYS 18 1.672 3.276 -0.452
114 HB2 LYS 18 1HB LYS 18 3.591 5.449 0.459
115 HB3 LYS 18 2HB LYS 18 3.569 4.690 -1.141
116 HG2 LYS 18 1HG LYS 18 1.233 5.477 -1.474
117 HG3 LYS 18 2HG LYS 18 1.337 6.379 0.044
118 HD2 LYS 18 1HD LYS 18 3.159 6.785 -2.369
119 HD3 LYS 18 2HD LYS 18 1.738 7.769 -1.979
120 HE2 LYS 18 1HE LYS 18 2.781 8.383 0.208
121 HE3 LYS 18 2HE LYS 18 4.227 7.464 -0.234
122 HZ1 LYS 18 3HZ LYS 18 4.489 9.822 -0.750
123 HZ2 LYS 18 1HZ LYS 18 3.179 9.817 -1.720
124 HZ3 LYS 18 2HZ LYS 18 4.511 8.967 -2.141
125 H PHE 19 H PHE 19 3.257 2.042 -1.376
126 HA PHE 19 HA PHE 19 5.148 0.644 0.479
127 HB2 PHE 19 1HB PHE 19 3.163 -0.584 -1.451
128 HB3 PHE 19 2HB PHE 19 4.251 -1.472 -0.413
129 HD1 PHE 19 1HD PHE 19 3.925 -1.579 2.046
130 HD2 PHE 19 2HD PHE 19 1.140 0.484 -0.513
131 HE1 PHE 19 1HE PHE 19 2.325 -1.396 3.938
132 HE2 PHE 19 2HE PHE 19 -0.442 0.718 1.402
133 HZ PHE 19 HZ PHE 19 0.159 -0.226 3.625
134 H LYS 20 H LYS 20 6.711 -0.715 -0.503
135 HA LYS 20 HA LYS 20 8.012 0.461 -2.803
136 HB2 LYS 20 1HB LYS 20 8.632 -2.138 -1.315
137 HB3 LYS 20 2HB LYS 20 9.695 -1.320 -2.461
138 HG2 LYS 20 1HG LYS 20 9.749 0.668 -0.926
139 HG3 LYS 20 2HG LYS 20 8.794 -0.263 0.249
140 HD2 LYS 20 1HD LYS 20 10.578 -1.975 0.352
141 HD3 LYS 20 2HD LYS 20 11.534 -1.056 -0.832
142 HE2 LYS 20 1HE LYS 20 11.587 0.885 0.721
143 HE3 LYS 20 2HE LYS 20 10.643 -0.032 1.903
144 HZ1 LYS 20 3HZ LYS 20 13.020 -0.142 2.393
145 HZ2 LYS 20 1HZ LYS 20 13.351 -0.787 0.933
146 HZ3 LYS 20 2HZ LYS 20 12.479 -1.635 2.025
147 H ASN 21 H ASN 21 6.131 -2.472 -2.338
148 HA ASN 21 HA ASN 21 6.329 -3.112 -5.254
149 HB2 ASN 21 1HB ASN 21 6.039 -5.112 -2.981
150 HB3 ASN 21 2HB ASN 21 6.254 -5.473 -4.689
151 HD21 ASN 21 1HD2 ASN 21 7.805 -4.986 -1.723
152 HD22 ASN 21 2HD2 ASN 21 9.456 -5.015 -2.345
153 H GLU 22 H GLU 22 4.561 -4.217 -6.167
154 HA GLU 22 HA GLU 22 1.950 -3.238 -5.480
155 HB2 GLU 22 1HB GLU 22 2.819 -4.079 -7.758
156 HB3 GLU 22 2HB GLU 22 2.584 -5.711 -7.147
157 HG2 GLU 22 1HG GLU 22 0.172 -5.230 -6.797
158 HG3 GLU 22 2HG GLU 22 0.416 -3.567 -7.330
159 H LEU 23 H LEU 23 3.623 -6.295 -4.857
160 HA LEU 23 HA LEU 23 1.580 -7.754 -3.558
161 HB2 LEU 23 1HB LEU 23 3.612 -8.800 -4.312
162 HB3 LEU 23 2HB LEU 23 4.611 -7.736 -3.316
163 HG LEU 23 HG LEU 23 3.719 -8.790 -1.258
164 HD11 LEU 23 1HD1 LEU 23 2.470 -10.925 -1.422
165 HD12 LEU 23 2HD1 LEU 23 2.293 -10.684 -3.175
166 HD13 LEU 23 3HD1 LEU 23 1.518 -9.568 -2.026
167 HD21 LEU 23 3HD2 LEU 23 4.890 -10.933 -1.527
168 HD22 LEU 23 1HD2 LEU 23 5.787 -9.597 -2.269
169 HD23 LEU 23 2HD2 LEU 23 4.871 -10.732 -3.293
170 H ASP 24 H ASP 24 4.081 -5.591 -2.067
171 HA ASP 24 HA ASP 24 3.192 -6.047 0.603
172 HB2 ASP 24 1HB ASP 24 4.814 -3.818 -0.643
173 HB3 ASP 24 2HB ASP 24 4.468 -3.905 1.088
174 H ARG 25 H ARG 25 2.110 -3.676 -1.784
175 HA ARG 25 HA ARG 25 0.302 -2.308 0.080
176 HB2 ARG 25 1HB ARG 25 1.294 -1.327 -2.022
177 HB3 ARG 25 2HB ARG 25 0.296 -2.361 -2.969
178 HG2 ARG 25 1HG ARG 25 -0.825 -0.364 -0.914
179 HG3 ARG 25 2HG ARG 25 -0.442 0.081 -2.577
180 HD2 ARG 25 1HD ARG 25 -2.557 -1.837 -1.599
181 HD3 ARG 25 2HD ARG 25 -2.779 -0.300 -2.406
182 HE ARG 25 HE ARG 25 -1.508 -2.700 -3.632
183 HH11 ARG 25 2HH1 ARG 25 -3.030 0.384 -4.282
184 HH12 ARG 25 1HH1 ARG 25 -3.504 -0.095 -5.894
185 HH21 ARG 25 2HH2 ARG 25 -2.398 -3.352 -5.504
186 HH22 ARG 25 1HH2 ARG 25 -3.046 -2.169 -6.638
187 H ASP 26 H ASP 26 -0.085 -4.885 -2.380
188 HA ASP 26 HA ASP 26 -2.875 -5.176 -2.079
189 HB2 ASP 26 1HB ASP 26 -0.659 -6.990 -3.072
190 HB3 ASP 26 2HB ASP 26 -2.289 -7.601 -2.894
191 H ARG 27 H ARG 27 -0.249 -6.874 -0.269
192 HA ARG 27 HA ARG 27 -2.091 -8.399 1.388
193 HB2 ARG 27 1HB ARG 27 -0.300 -9.014 2.739
194 HB3 ARG 27 2HB ARG 27 0.103 -9.211 1.033
195 HG2 ARG 27 1HG ARG 27 1.565 -7.321 1.065
196 HG3 ARG 27 2HG ARG 27 0.972 -6.766 2.626
197 HD2 ARG 27 1HD ARG 27 3.127 -7.793 2.941
198 HD3 ARG 27 2HD ARG 27 1.835 -8.748 3.699
199 HE ARG 27 HE ARG 27 2.020 -10.407 1.981
200 HH11 ARG 27 1HH1 ARG 27 4.771 -8.133 1.683
201 HH12 ARG 27 2HH1 ARG 27 5.786 -9.422 1.150
202 HH21 ARG 27 2HH2 ARG 27 3.433 -11.894 1.247
203 HH22 ARG 27 1HH2 ARG 27 5.069 -11.449 0.880
204 H HIS 28 H HIS 28 -0.996 -5.095 1.614
205 HA HIS 28 HA HIS 28 -2.037 -4.719 4.338
206 HB2 HIS 28 1HB HIS 28 -0.307 -3.249 3.720
207 HB3 HIS 28 2HB HIS 28 -1.005 -2.890 2.152
208 HD1 HIS 28 1HD HIS 28 -1.542 -2.003 5.845
209 HD2 HIS 28 2HD HIS 28 -2.894 -1.046 1.978
210 HE1 HIS 28 1HE HIS 28 -3.011 0.046 6.116
211 H MET 29 H MET 29 -3.449 -4.318 1.001
212 HA MET 29 HA MET 29 -5.848 -3.110 1.865
213 HB2 MET 29 1HB MET 29 -5.630 -5.175 -0.344
214 HB3 MET 29 2HB MET 29 -6.893 -3.974 -0.141
215 HG2 MET 29 1HG MET 29 -4.004 -3.486 -0.860
216 HG3 MET 29 2HG MET 29 -5.393 -3.280 -1.896
217 HE1 MET 29 3HE MET 29 -6.993 -1.407 -1.922
218 HE2 MET 29 1HE MET 29 -7.538 -1.569 -0.237
219 HE3 MET 29 2HE MET 29 -6.996 0.009 -0.857
220 H LEU 30 H LEU 30 -4.838 -6.408 2.392
221 HA LEU 30 HA LEU 30 -7.326 -7.671 2.943
222 HB2 LEU 30 1HB LEU 30 -4.654 -8.112 4.329
223 HB3 LEU 30 2HB LEU 30 -5.998 -9.236 4.278
224 HG LEU 30 HG LEU 30 -4.314 -8.371 1.888
225 HD11 LEU 30 1HD1 LEU 30 -3.139 -9.854 3.480
226 HD12 LEU 30 2HD1 LEU 30 -3.467 -10.673 1.944
227 HD13 LEU 30 3HD1 LEU 30 -4.469 -11.028 3.371
228 HD21 LEU 30 3HD2 LEU 30 -5.458 -10.180 0.663
229 HD22 LEU 30 1HD2 LEU 30 -6.582 -8.901 1.132
230 HD23 LEU 30 2HD2 LEU 30 -6.550 -10.430 2.045
231 H VAL 31 H VAL 31 -5.501 -5.337 4.906
232 HA VAL 31 HA VAL 31 -6.933 -5.896 7.368
233 HB VAL 31 HB VAL 31 -5.863 -4.131 8.348
234 HG11 VAL 31 1HG1 VAL 31 -4.301 -5.892 7.657
235 HG12 VAL 31 2HG1 VAL 31 -3.855 -4.921 6.238
236 HG13 VAL 31 3HG1 VAL 31 -3.541 -4.305 7.867
237 HG21 VAL 31 3HG2 VAL 31 -5.542 -2.763 5.681
238 HG22 VAL 31 1HG2 VAL 31 -6.394 -2.211 7.126
239 HG23 VAL 31 2HG2 VAL 31 -4.633 -2.297 7.134
240 H HIS 32 H HIS 32 -7.658 -4.031 4.555
241 HA HIS 32 HA HIS 32 -9.986 -2.656 5.780
242 HB2 HIS 32 1HB HIS 32 -8.913 -2.535 2.939
243 HB3 HIS 32 2HB HIS 32 -10.087 -1.455 3.677
244 HD1 HIS 32 1HD HIS 32 -8.676 -0.472 6.252
245 HD2 HIS 32 2HD HIS 32 -6.812 -1.114 2.538
246 HE1 HIS 32 1HE HIS 32 -6.593 0.980 6.275
247 H GLY 33 H GLY 33 -9.251 -5.356 3.648
248 HA2 GLY 33 1HA GLY 33 -11.557 -5.617 2.160
249 HA3 GLY 33 2HA GLY 33 -10.500 -6.952 2.613
250 H ASP 34 H ASP 34 -11.429 -6.270 5.569
251 HA ASP 34 HA ASP 34 -13.700 -8.080 5.717
252 HB2 ASP 34 1HB ASP 34 -11.975 -7.828 7.487
253 HB3 ASP 34 2HB ASP 34 -12.515 -6.172 7.770
254 H LYS 35 H LYS 35 -13.363 -4.615 5.344
255 HA LYS 35 HA LYS 35 -16.320 -4.181 5.694
256 HB2 LYS 35 1HB LYS 35 -14.030 -2.213 6.088
257 HB3 LYS 35 2HB LYS 35 -15.740 -1.851 6.271
258 HG2 LYS 35 1HG LYS 35 -14.078 -3.700 8.026
259 HG3 LYS 35 2HG LYS 35 -14.697 -2.098 8.434
260 HD2 LYS 35 1HD LYS 35 -17.051 -3.028 8.100
261 HD3 LYS 35 2HD LYS 35 -16.330 -4.637 8.004
262 HE2 LYS 35 1HE LYS 35 -16.205 -2.712 10.366
263 HE3 LYS 35 2HE LYS 35 -17.187 -4.174 10.245
264 HZ1 LYS 35 3HZ LYS 35 -15.048 -5.440 10.041
265 HZ2 LYS 35 1HZ LYS 35 -15.232 -4.698 11.491
266 HZ3 LYS 35 2HZ LYS 35 -14.226 -4.068 10.370
267 H TRP 36 H TRP 36 -13.611 -3.698 3.525
268 HA TRP 36 HA TRP 36 -15.288 -2.103 1.641
269 HB2 TRP 36 1HB TRP 36 -12.284 -2.314 1.970
270 HB3 TRP 36 2HB TRP 36 -13.098 -1.418 0.698
271 HD1 TRP 36 1HD TRP 36 -12.410 -1.301 4.443
272 HE1 TRP 36 1HE TRP 36 -12.852 1.064 5.343
273 HE3 TRP 36 3HE TRP 36 -14.515 0.768 0.258
274 HZ2 TRP 36 2HZ TRP 36 -13.951 3.542 4.361
275 HZ3 TRP 36 3HZ TRP 36 -15.246 3.143 0.267
276 HH2 TRP 36 2HH TRP 36 -14.968 4.538 2.306
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 21.551 1.333 -11.771
2 H2 GLY 1 2H GLY 1 20.985 0.111 -12.700
3 H3 GLY 1 3H GLY 1 22.195 -0.167 -11.631
4 HA2 GLY 1 1HA GLY 1 20.125 -1.050 -10.777
5 HA3 GLY 1 2HA GLY 1 20.755 0.261 -9.762
6 H SER 2 H SER 2 18.039 -0.556 -9.813
7 HA SER 2 HA SER 2 16.428 1.232 -11.438
8 HB2 SER 2 1HB SER 2 15.585 -0.929 -10.664
9 HB3 SER 2 2HB SER 2 15.717 -0.399 -8.975
10 HG SER 2 HG SER 2 13.586 -0.179 -9.972
11 H SER 3 H SER 3 15.320 3.084 -10.868
12 HA SER 3 HA SER 3 16.298 4.756 -8.674
13 HB2 SER 3 1HB SER 3 14.600 6.351 -9.534
14 HB3 SER 3 2HB SER 3 15.730 5.788 -10.777
15 HG SER 3 HG SER 3 13.544 5.749 -11.505
16 H GLY 4 H GLY 4 13.870 2.331 -8.964
17 HA2 GLY 4 1HA GLY 4 12.012 3.309 -6.959
18 HA3 GLY 4 2HA GLY 4 12.075 1.695 -7.670
19 H SER 5 H SER 5 15.147 2.352 -6.404
20 HA SER 5 HA SER 5 14.894 0.357 -4.364
21 HB2 SER 5 1HB SER 5 17.256 0.896 -3.901
22 HB3 SER 5 2HB SER 5 16.939 0.678 -5.631
23 HG SER 5 HG SER 5 18.214 2.535 -5.262
24 H SER 6 H SER 6 14.860 3.897 -4.175
25 HA SER 6 HA SER 6 14.552 3.776 -1.200
26 HB2 SER 6 1HB SER 6 15.338 6.094 -1.217
27 HB3 SER 6 2HB SER 6 16.506 4.993 -1.969
28 HG SER 6 HG SER 6 16.189 6.910 -3.207
29 H GLY 7 H GLY 7 12.808 4.598 -4.084
30 HA2 GLY 7 1HA GLY 7 10.899 6.428 -2.828
31 HA3 GLY 7 2HA GLY 7 10.839 5.781 -4.461
32 H LEU 8 H LEU 8 8.532 5.988 -3.355
33 HA LEU 8 HA LEU 8 7.666 3.186 -2.792
34 HB2 LEU 8 1HB LEU 8 6.355 5.746 -1.806
35 HB3 LEU 8 2HB LEU 8 5.698 4.120 -1.627
36 HG LEU 8 HG LEU 8 8.335 5.046 -0.395
37 HD11 LEU 8 1HD1 LEU 8 6.385 6.223 0.574
38 HD12 LEU 8 2HD1 LEU 8 7.134 5.104 1.724
39 HD13 LEU 8 3HD1 LEU 8 5.619 4.654 0.918
40 HD21 LEU 8 3HD2 LEU 8 6.655 2.558 0.126
41 HD22 LEU 8 1HD2 LEU 8 8.153 3.006 0.963
42 HD23 LEU 8 2HD2 LEU 8 8.200 2.581 -0.751
43 H LEU 9 H LEU 9 6.266 2.361 -4.180
44 HA LEU 9 HA LEU 9 5.674 3.978 -6.627
45 HB2 LEU 9 1HB LEU 9 6.259 1.043 -6.109
46 HB3 LEU 9 2HB LEU 9 5.653 1.628 -7.641
47 HG LEU 9 HG LEU 9 7.975 1.186 -7.742
48 HD11 LEU 9 1HD1 LEU 9 7.554 4.196 -7.885
49 HD12 LEU 9 2HD1 LEU 9 7.063 3.025 -9.129
50 HD13 LEU 9 3HD1 LEU 9 8.780 3.251 -8.751
51 HD21 LEU 9 3HD2 LEU 9 9.725 2.307 -6.610
52 HD22 LEU 9 1HD2 LEU 9 8.620 1.690 -5.375
53 HD23 LEU 9 2HD2 LEU 9 8.615 3.422 -5.805
54 H TYR 10 H TYR 10 4.146 1.904 -4.235
55 HA TYR 10 HA TYR 10 1.565 1.964 -5.765
56 HB2 TYR 10 1HB TYR 10 2.604 -0.168 -3.866
57 HB3 TYR 10 2HB TYR 10 1.055 -0.181 -4.676
58 HD1 TYR 10 1HD TYR 10 4.714 -0.473 -5.179
59 HD2 TYR 10 2HD TYR 10 0.836 -0.678 -7.056
60 HE1 TYR 10 1HE TYR 10 5.764 -1.391 -7.252
61 HE2 TYR 10 2HE TYR 10 1.876 -1.646 -9.101
62 HH TYR 10 HH TYR 10 5.414 -2.171 -9.379
63 H ASP 11 H ASP 11 -0.343 2.401 -4.709
64 HA ASP 11 HA ASP 11 -0.141 3.369 -1.898
65 HB2 ASP 11 1HB ASP 11 -1.350 5.309 -2.412
66 HB3 ASP 11 2HB ASP 11 -0.036 5.206 -3.576
67 H CYS 12 H CYS 12 -1.754 3.093 -0.549
68 HA CYS 12 HA CYS 12 -4.015 1.310 -1.196
69 HB2 CYS 12 1HB CYS 12 -2.721 0.963 0.833
70 HB3 CYS 12 2HB CYS 12 -3.010 2.640 1.345
71 H HIS 13 H HIS 13 -5.881 2.130 -1.932
72 HA HIS 13 HA HIS 13 -6.397 4.999 -1.851
73 HB2 HIS 13 1HB HIS 13 -8.252 4.556 -3.288
74 HB3 HIS 13 2HB HIS 13 -6.811 3.746 -3.881
75 HD1 HIS 13 1HD HIS 13 -10.155 2.903 -2.118
76 HD2 HIS 13 2HD HIS 13 -7.092 1.192 -4.438
77 HE1 HIS 13 1HE HIS 13 -10.971 0.574 -2.774
78 H ILE 14 H ILE 14 -6.805 2.854 0.552
79 HA ILE 14 HA ILE 14 -9.470 3.813 1.467
80 HB ILE 14 HB ILE 14 -7.683 1.768 2.758
81 HG12 ILE 14 1HG1 ILE 14 -8.195 1.017 0.447
82 HG13 ILE 14 2HG1 ILE 14 -8.883 0.009 1.701
83 HG21 ILE 14 1HG2 ILE 14 -10.621 2.489 3.085
84 HG22 ILE 14 2HG2 ILE 14 -9.898 1.011 3.738
85 HG23 ILE 14 3HG2 ILE 14 -9.331 2.582 4.300
86 HD11 ILE 14 3HD1 ILE 14 -10.447 2.076 0.139
87 HD12 ILE 14 1HD1 ILE 14 -10.398 0.323 -0.180
88 HD13 ILE 14 2HD1 ILE 14 -11.098 0.917 1.332
89 H CYS 15 H CYS 15 -6.048 3.831 2.424
90 HA CYS 15 HA CYS 15 -6.592 5.808 4.586
91 HB2 CYS 15 1HB CYS 15 -5.203 4.608 6.088
92 HB3 CYS 15 2HB CYS 15 -6.488 3.561 5.483
93 H GLU 16 H GLU 16 -4.931 5.365 1.781
94 HA GLU 16 HA GLU 16 -3.376 6.528 0.715
95 HB2 GLU 16 1HB GLU 16 -4.607 8.324 2.264
96 HB3 GLU 16 2HB GLU 16 -2.982 8.507 2.917
97 HG2 GLU 16 1HG GLU 16 -2.156 8.854 0.529
98 HG3 GLU 16 2HG GLU 16 -3.832 8.749 -0.009
99 H ARG 17 H ARG 17 -2.515 4.601 3.121
100 HA ARG 17 HA ARG 17 0.328 5.178 3.364
101 HB2 ARG 17 1HB ARG 17 -1.282 2.624 3.752
102 HB3 ARG 17 2HB ARG 17 0.478 2.681 3.927
103 HG2 ARG 17 1HG ARG 17 0.287 4.457 5.646
104 HG3 ARG 17 2HG ARG 17 -1.474 4.392 5.485
105 HD2 ARG 17 1HD ARG 17 -1.325 1.921 6.073
106 HD3 ARG 17 2HD ARG 17 0.396 2.173 6.417
107 HE ARG 17 HE ARG 17 -1.317 4.040 7.851
108 HH11 ARG 17 2HH1 ARG 17 -0.055 0.778 8.075
109 HH12 ARG 17 1HH1 ARG 17 -0.276 0.716 9.802
110 HH21 ARG 17 2HH2 ARG 17 -1.550 3.899 10.053
111 HH22 ARG 17 1HH2 ARG 17 -1.099 2.441 10.886
112 H LYS 18 H LYS 18 2.007 3.969 2.492
113 HA LYS 18 HA LYS 18 1.636 3.151 -0.355
114 HB2 LYS 18 1HB LYS 18 3.342 5.468 0.590
115 HB3 LYS 18 2HB LYS 18 3.533 4.693 -0.991
116 HG2 LYS 18 1HG LYS 18 1.359 5.266 -1.714
117 HG3 LYS 18 2HG LYS 18 0.870 5.872 -0.135
118 HD2 LYS 18 1HD LYS 18 3.106 7.081 -1.801
119 HD3 LYS 18 2HD LYS 18 1.439 7.653 -1.846
120 HE2 LYS 18 1HE LYS 18 3.081 7.497 0.718
121 HE3 LYS 18 2HE LYS 18 3.055 8.925 -0.320
122 HZ1 LYS 18 3HZ LYS 18 1.428 9.112 1.472
123 HZ2 LYS 18 1HZ LYS 18 0.632 7.770 0.992
124 HZ3 LYS 18 2HZ LYS 18 0.663 9.096 0.036
125 H PHE 19 H PHE 19 3.257 2.070 -1.356
126 HA PHE 19 HA PHE 19 5.197 0.650 0.439
127 HB2 PHE 19 1HB PHE 19 3.196 -0.620 -1.441
128 HB3 PHE 19 2HB PHE 19 4.311 -1.476 -0.406
129 HD1 PHE 19 1HD PHE 19 4.015 -1.553 2.064
130 HD2 PHE 19 2HD PHE 19 1.167 0.439 -0.482
131 HE1 PHE 19 1HE PHE 19 2.428 -1.395 3.966
132 HE2 PHE 19 2HE PHE 19 -0.402 0.649 1.443
133 HZ PHE 19 HZ PHE 19 0.233 -0.273 3.665
134 H LYS 20 H LYS 20 6.652 -0.801 -0.622
135 HA LYS 20 HA LYS 20 8.018 0.511 -2.819
136 HB2 LYS 20 1HB LYS 20 8.644 -2.134 -1.402
137 HB3 LYS 20 2HB LYS 20 9.680 -1.309 -2.548
138 HG2 LYS 20 1HG LYS 20 10.628 -0.734 -0.556
139 HG3 LYS 20 2HG LYS 20 9.695 0.689 -0.982
140 HD2 LYS 20 1HD LYS 20 9.592 0.198 1.426
141 HD3 LYS 20 2HD LYS 20 8.005 0.136 0.706
142 HE2 LYS 20 1HE LYS 20 8.182 -1.676 2.268
143 HE3 LYS 20 2HE LYS 20 8.141 -2.380 0.654
144 HZ1 LYS 20 3HZ LYS 20 10.578 -2.624 0.788
145 HZ2 LYS 20 1HZ LYS 20 9.855 -3.397 2.027
146 HZ3 LYS 20 2HZ LYS 20 10.594 -1.966 2.285
147 H ASN 21 H ASN 21 6.310 -2.558 -2.466
148 HA ASN 21 HA ASN 21 6.250 -2.876 -5.439
149 HB2 ASN 21 1HB ASN 21 6.324 -5.364 -5.042
150 HB3 ASN 21 2HB ASN 21 7.818 -4.532 -4.691
151 HD21 ASN 21 1HD2 ASN 21 8.615 -4.532 -2.558
152 HD22 ASN 21 2HD2 ASN 21 7.684 -5.191 -1.199
153 H GLU 22 H GLU 22 4.499 -4.152 -6.230
154 HA GLU 22 HA GLU 22 1.968 -3.197 -5.365
155 HB2 GLU 22 1HB GLU 22 2.704 -4.016 -7.692
156 HB3 GLU 22 2HB GLU 22 2.480 -5.655 -7.094
157 HG2 GLU 22 1HG GLU 22 0.097 -5.167 -6.635
158 HG3 GLU 22 2HG GLU 22 0.327 -3.487 -7.119
159 H LEU 23 H LEU 23 3.646 -6.253 -4.804
160 HA LEU 23 HA LEU 23 1.608 -7.752 -3.539
161 HB2 LEU 23 1HB LEU 23 3.599 -8.790 -4.335
162 HB3 LEU 23 2HB LEU 23 4.648 -7.750 -3.379
163 HG LEU 23 HG LEU 23 3.795 -8.837 -1.285
164 HD11 LEU 23 1HD1 LEU 23 2.310 -10.683 -3.209
165 HD12 LEU 23 2HD1 LEU 23 1.564 -9.579 -2.032
166 HD13 LEU 23 3HD1 LEU 23 2.515 -10.953 -1.463
167 HD21 LEU 23 3HD2 LEU 23 4.841 -10.782 -3.383
168 HD22 LEU 23 1HD2 LEU 23 4.938 -10.982 -1.619
169 HD23 LEU 23 2HD2 LEU 23 5.824 -9.668 -2.406
170 H ASP 24 H ASP 24 4.099 -5.645 -1.988
171 HA ASP 24 HA ASP 24 3.231 -6.012 0.664
172 HB2 ASP 24 1HB ASP 24 4.850 -3.882 -0.718
173 HB3 ASP 24 2HB ASP 24 4.340 -3.649 0.948
174 H ARG 25 H ARG 25 2.089 -3.707 -1.731
175 HA ARG 25 HA ARG 25 0.279 -2.313 0.118
176 HB2 ARG 25 1HB ARG 25 1.308 -1.336 -1.968
177 HB3 ARG 25 2HB ARG 25 0.318 -2.360 -2.933
178 HG2 ARG 25 1HG ARG 25 -0.821 -0.349 -0.905
179 HG3 ARG 25 2HG ARG 25 -0.404 0.086 -2.562
180 HD2 ARG 25 1HD ARG 25 -2.557 -1.802 -1.617
181 HD3 ARG 25 2HD ARG 25 -2.753 -0.275 -2.440
182 HE ARG 25 HE ARG 25 -1.484 -2.693 -3.633
183 HH11 ARG 25 2HH1 ARG 25 -3.002 0.392 -4.318
184 HH12 ARG 25 1HH1 ARG 25 -3.451 -0.099 -5.932
185 HH21 ARG 25 2HH2 ARG 25 -2.339 -3.344 -5.519
186 HH22 ARG 25 1HH2 ARG 25 -2.976 -2.165 -6.662
187 H ASP 26 H ASP 26 -0.087 -4.878 -2.338
188 HA ASP 26 HA ASP 26 -2.890 -5.154 -2.102
189 HB2 ASP 26 1HB ASP 26 -0.657 -6.966 -3.061
190 HB3 ASP 26 2HB ASP 26 -2.284 -7.585 -2.904
191 H ARG 27 H ARG 27 -0.279 -6.885 -0.281
192 HA ARG 27 HA ARG 27 -2.205 -8.361 1.319
193 HB2 ARG 27 1HB ARG 27 -0.435 -9.099 2.685
194 HB3 ARG 27 2HB ARG 27 -0.012 -9.274 0.985
195 HG2 ARG 27 1HG ARG 27 1.537 -7.447 1.091
196 HG3 ARG 27 2HG ARG 27 0.963 -6.922 2.663
197 HD2 ARG 27 1HD ARG 27 1.773 -9.002 3.688
198 HD3 ARG 27 2HD ARG 27 2.226 -9.650 2.101
199 HE ARG 27 HE ARG 27 3.769 -7.403 2.197
200 HH11 ARG 27 2HH1 ARG 27 3.425 -10.005 4.540
201 HH12 ARG 27 1HH1 ARG 27 5.072 -9.826 5.073
202 HH21 ARG 27 2HH2 ARG 27 5.769 -7.275 2.856
203 HH22 ARG 27 1HH2 ARG 27 6.395 -8.292 4.153
204 H HIS 28 H HIS 28 -0.942 -5.131 1.652
205 HA HIS 28 HA HIS 28 -2.017 -4.768 4.363
206 HB2 HIS 28 1HB HIS 28 -0.261 -3.302 3.757
207 HB3 HIS 28 2HB HIS 28 -0.973 -2.915 2.197
208 HD1 HIS 28 1HD HIS 28 -1.526 -2.106 5.922
209 HD2 HIS 28 2HD HIS 28 -2.866 -1.086 2.070
210 HE1 HIS 28 1HE HIS 28 -3.051 -0.100 6.230
211 H MET 29 H MET 29 -3.378 -4.259 1.020
212 HA MET 29 HA MET 29 -5.749 -3.016 1.885
213 HB2 MET 29 1HB MET 29 -5.492 -4.945 -0.453
214 HB3 MET 29 2HB MET 29 -6.779 -3.775 -0.176
215 HG2 MET 29 1HG MET 29 -4.568 -2.141 -0.027
216 HG3 MET 29 2HG MET 29 -4.025 -3.372 -1.161
217 HE1 MET 29 3HE MET 29 -7.478 -1.534 -0.465
218 HE2 MET 29 1HE MET 29 -6.197 -0.299 -0.472
219 HE3 MET 29 2HE MET 29 -7.423 -0.320 -1.753
220 H LEU 30 H LEU 30 -4.876 -6.352 2.332
221 HA LEU 30 HA LEU 30 -7.417 -7.532 2.835
222 HB2 LEU 30 1HB LEU 30 -4.783 -8.076 4.256
223 HB3 LEU 30 2HB LEU 30 -6.164 -9.153 4.174
224 HG LEU 30 HG LEU 30 -4.419 -8.326 1.815
225 HD11 LEU 30 1HD1 LEU 30 -4.667 -10.984 3.280
226 HD12 LEU 30 2HD1 LEU 30 -3.306 -9.849 3.408
227 HD13 LEU 30 3HD1 LEU 30 -3.641 -10.650 1.865
228 HD21 LEU 30 3HD2 LEU 30 -6.694 -8.784 1.032
229 HD22 LEU 30 1HD2 LEU 30 -6.716 -10.320 1.933
230 HD23 LEU 30 2HD2 LEU 30 -5.601 -10.091 0.564
231 H VAL 31 H VAL 31 -5.522 -5.295 4.871
232 HA VAL 31 HA VAL 31 -6.976 -5.854 7.307
233 HB VAL 31 HB VAL 31 -5.909 -4.093 8.309
234 HG11 VAL 31 1HG1 VAL 31 -3.583 -4.306 7.863
235 HG12 VAL 31 2HG1 VAL 31 -4.371 -5.881 7.666
236 HG13 VAL 31 3HG1 VAL 31 -3.885 -4.941 6.241
237 HG21 VAL 31 3HG2 VAL 31 -5.524 -2.732 5.650
238 HG22 VAL 31 1HG2 VAL 31 -6.386 -2.168 7.082
239 HG23 VAL 31 2HG2 VAL 31 -4.629 -2.284 7.116
240 H HIS 32 H HIS 32 -7.747 -4.023 4.523
241 HA HIS 32 HA HIS 32 -10.123 -2.731 5.770
242 HB2 HIS 32 1HB HIS 32 -9.057 -2.359 2.963
243 HB3 HIS 32 2HB HIS 32 -10.188 -1.334 3.834
244 HD1 HIS 32 1HD HIS 32 -8.766 -0.342 6.311
245 HD2 HIS 32 2HD HIS 32 -6.839 -1.206 2.683
246 HE1 HIS 32 1HE HIS 32 -6.609 1.006 6.347
247 H GLY 33 H GLY 33 -9.512 -5.668 4.598
248 HA2 GLY 33 1HA GLY 33 -11.240 -6.120 2.403
249 HA3 GLY 33 2HA GLY 33 -10.559 -7.342 3.464
250 H ASP 34 H ASP 34 -12.647 -8.282 2.723
251 HA ASP 34 HA ASP 34 -15.167 -7.245 3.602
252 HB2 ASP 34 1HB ASP 34 -14.639 -8.458 1.476
253 HB3 ASP 34 2HB ASP 34 -14.476 -9.941 2.419
254 H LYS 35 H LYS 35 -13.674 -7.606 5.874
255 HA LYS 35 HA LYS 35 -14.176 -9.992 7.383
256 HB2 LYS 35 1HB LYS 35 -12.371 -8.358 7.839
257 HB3 LYS 35 2HB LYS 35 -13.566 -7.125 8.235
258 HG2 LYS 35 1HG LYS 35 -12.567 -8.000 10.253
259 HG3 LYS 35 2HG LYS 35 -14.277 -8.411 10.214
260 HD2 LYS 35 1HD LYS 35 -13.707 -10.725 9.487
261 HD3 LYS 35 2HD LYS 35 -11.982 -10.295 9.521
262 HE2 LYS 35 1HE LYS 35 -12.178 -9.747 11.939
263 HE3 LYS 35 2HE LYS 35 -13.901 -10.146 11.895
264 HZ1 LYS 35 3HZ LYS 35 -13.288 -12.436 11.319
265 HZ2 LYS 35 1HZ LYS 35 -12.582 -12.009 12.725
266 HZ3 LYS 35 2HZ LYS 35 -11.696 -12.068 11.358
267 H TRP 36 H TRP 36 -16.161 -7.145 6.876
268 HA TRP 36 HA TRP 36 -18.206 -8.106 8.828
269 HB2 TRP 36 1HB TRP 36 -17.462 -5.240 8.198
270 HB3 TRP 36 2HB TRP 36 -18.664 -5.791 9.350
271 HD1 TRP 36 1HD TRP 36 -15.285 -4.578 9.232
272 HE1 TRP 36 1HE TRP 36 -13.942 -5.093 11.364
273 HE3 TRP 36 3HE TRP 36 -18.349 -8.141 11.271
274 HZ2 TRP 36 2HZ TRP 36 -14.153 -6.859 13.633
275 HZ3 TRP 36 3HZ TRP 36 -17.738 -9.240 13.413
276 HH2 TRP 36 2HH TRP 36 -15.648 -8.611 14.602
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 22.036 9.796 5.774
2 H2 GLY 1 2H GLY 1 23.339 10.674 5.308
3 H3 GLY 1 3H GLY 1 23.081 9.186 4.669
4 HA2 GLY 1 1HA GLY 1 21.350 11.539 4.267
5 HA3 GLY 1 2HA GLY 1 22.495 10.897 3.074
6 H SER 2 H SER 2 19.430 11.175 3.219
7 HA SER 2 HA SER 2 18.399 8.464 3.266
8 HB2 SER 2 1HB SER 2 17.054 11.040 2.380
9 HB3 SER 2 2HB SER 2 16.255 9.513 2.801
10 HG SER 2 HG SER 2 16.259 11.001 4.554
11 H SER 3 H SER 3 19.917 10.177 0.733
12 HA SER 3 HA SER 3 18.347 9.481 -1.512
13 HB2 SER 3 1HB SER 3 21.353 9.926 -1.393
14 HB3 SER 3 2HB SER 3 20.326 10.030 -2.836
15 HG SER 3 HG SER 3 20.725 12.096 -1.910
16 H GLY 4 H GLY 4 18.398 7.861 -3.026
17 HA2 GLY 4 1HA GLY 4 20.296 5.809 -3.370
18 HA3 GLY 4 2HA GLY 4 19.084 5.199 -2.240
19 H SER 5 H SER 5 19.246 3.775 -4.417
20 HA SER 5 HA SER 5 17.625 4.685 -6.645
21 HB2 SER 5 1HB SER 5 18.586 1.885 -5.955
22 HB3 SER 5 2HB SER 5 17.973 2.437 -7.525
23 HG SER 5 HG SER 5 20.271 2.438 -7.442
24 H SER 6 H SER 6 16.739 3.316 -3.617
25 HA SER 6 HA SER 6 14.294 1.978 -4.529
26 HB2 SER 6 1HB SER 6 13.980 1.543 -2.102
27 HB3 SER 6 2HB SER 6 15.523 0.959 -2.744
28 HG SER 6 HG SER 6 15.787 2.065 -0.745
29 H GLY 7 H GLY 7 12.180 2.468 -3.604
30 HA2 GLY 7 1HA GLY 7 11.505 4.939 -2.342
31 HA3 GLY 7 2HA GLY 7 11.256 5.088 -4.086
32 H LEU 8 H LEU 8 9.114 5.468 -2.662
33 HA LEU 8 HA LEU 8 7.515 2.966 -2.526
34 HB2 LEU 8 1HB LEU 8 6.759 5.805 -1.760
35 HB3 LEU 8 2HB LEU 8 5.784 4.355 -1.519
36 HG LEU 8 HG LEU 8 8.459 4.944 -0.169
37 HD11 LEU 8 1HD1 LEU 8 7.139 5.187 1.865
38 HD12 LEU 8 2HD1 LEU 8 5.641 4.853 0.975
39 HD13 LEU 8 3HD1 LEU 8 6.572 6.332 0.637
40 HD21 LEU 8 3HD2 LEU 8 6.518 2.633 0.246
41 HD22 LEU 8 1HD2 LEU 8 7.955 2.969 1.232
42 HD23 LEU 8 2HD2 LEU 8 8.144 2.509 -0.463
43 H LEU 9 H LEU 9 6.072 2.431 -3.959
44 HA LEU 9 HA LEU 9 5.668 4.155 -6.389
45 HB2 LEU 9 1HB LEU 9 6.373 1.211 -6.104
46 HB3 LEU 9 2HB LEU 9 5.850 1.935 -7.614
47 HG LEU 9 HG LEU 9 8.367 2.708 -6.063
48 HD11 LEU 9 1HD1 LEU 9 8.482 0.453 -7.049
49 HD12 LEU 9 2HD1 LEU 9 9.562 1.577 -7.888
50 HD13 LEU 9 3HD1 LEU 9 8.015 1.111 -8.634
51 HD21 LEU 9 3HD2 LEU 9 7.384 3.574 -8.821
52 HD22 LEU 9 1HD2 LEU 9 8.998 3.906 -8.154
53 HD23 LEU 9 2HD2 LEU 9 7.575 4.617 -7.392
54 H TYR 10 H TYR 10 4.150 1.928 -4.160
55 HA TYR 10 HA TYR 10 1.619 1.951 -5.771
56 HB2 TYR 10 1HB TYR 10 2.658 -0.191 -3.881
57 HB3 TYR 10 2HB TYR 10 1.138 -0.231 -4.740
58 HD1 TYR 10 1HD TYR 10 4.826 -0.377 -5.141
59 HD2 TYR 10 2HD TYR 10 1.011 -0.718 -7.124
60 HE1 TYR 10 1HE TYR 10 5.964 -1.236 -7.197
61 HE2 TYR 10 2HE TYR 10 2.136 -1.625 -9.146
62 HH TYR 10 HH TYR 10 4.137 -2.165 -10.135
63 H ASP 11 H ASP 11 -0.317 2.377 -4.755
64 HA ASP 11 HA ASP 11 -0.154 3.378 -1.950
65 HB2 ASP 11 1HB ASP 11 -1.331 5.325 -2.554
66 HB3 ASP 11 2HB ASP 11 0.028 5.164 -3.656
67 H CYS 12 H CYS 12 -1.786 3.192 -0.617
68 HA CYS 12 HA CYS 12 -4.046 1.407 -1.140
69 HB2 CYS 12 1HB CYS 12 -2.845 1.361 0.971
70 HB3 CYS 12 2HB CYS 12 -3.152 3.091 1.225
71 H HIS 13 H HIS 13 -6.058 2.003 -1.669
72 HA HIS 13 HA HIS 13 -6.728 4.873 -1.978
73 HB2 HIS 13 1HB HIS 13 -8.562 4.130 -3.373
74 HB3 HIS 13 2HB HIS 13 -7.017 3.517 -3.930
75 HD1 HIS 13 1HD HIS 13 -6.856 0.903 -4.228
76 HD2 HIS 13 2HD HIS 13 -10.263 2.280 -2.178
77 HE1 HIS 13 1HE HIS 13 -8.407 -1.107 -3.991
78 H ILE 14 H ILE 14 -6.936 2.840 0.566
79 HA ILE 14 HA ILE 14 -9.621 3.800 1.487
80 HB ILE 14 HB ILE 14 -7.855 1.741 2.775
81 HG12 ILE 14 1HG1 ILE 14 -8.466 0.878 0.572
82 HG13 ILE 14 2HG1 ILE 14 -9.231 -0.008 1.871
83 HG21 ILE 14 1HG2 ILE 14 -10.015 1.067 3.888
84 HG22 ILE 14 2HG2 ILE 14 -9.407 2.654 4.363
85 HG23 ILE 14 3HG2 ILE 14 -10.754 2.536 3.212
86 HD11 ILE 14 3HD1 ILE 14 -10.720 0.318 -0.026
87 HD12 ILE 14 1HD1 ILE 14 -11.369 1.061 1.445
88 HD13 ILE 14 2HD1 ILE 14 -10.628 2.085 0.184
89 H CYS 15 H CYS 15 -6.173 3.718 2.414
90 HA CYS 15 HA CYS 15 -6.653 5.831 4.452
91 HB2 CYS 15 1HB CYS 15 -5.446 4.709 6.095
92 HB3 CYS 15 2HB CYS 15 -6.726 3.649 5.506
93 H GLU 16 H GLU 16 -5.053 5.276 1.737
94 HA GLU 16 HA GLU 16 -3.462 6.379 0.626
95 HB2 GLU 16 1HB GLU 16 -4.722 8.197 2.130
96 HB3 GLU 16 2HB GLU 16 -3.095 8.430 2.765
97 HG2 GLU 16 1HG GLU 16 -2.298 8.711 0.358
98 HG3 GLU 16 2HG GLU 16 -3.977 8.566 -0.157
99 H ARG 17 H ARG 17 -2.568 4.558 3.060
100 HA ARG 17 HA ARG 17 0.257 5.111 3.362
101 HB2 ARG 17 1HB ARG 17 -1.600 2.823 3.897
102 HB3 ARG 17 2HB ARG 17 0.079 2.376 3.607
103 HG2 ARG 17 1HG ARG 17 0.910 3.770 5.350
104 HG3 ARG 17 2HG ARG 17 -0.661 4.552 5.600
105 HD2 ARG 17 1HD ARG 17 -0.306 1.551 5.932
106 HD3 ARG 17 2HD ARG 17 0.090 2.687 7.219
107 HE ARG 17 HE ARG 17 -2.604 2.897 5.944
108 HH11 ARG 17 2HH1 ARG 17 -0.907 1.990 8.885
109 HH12 ARG 17 1HH1 ARG 17 -2.379 2.040 9.817
110 HH21 ARG 17 2HH2 ARG 17 -4.335 2.901 7.092
111 HH22 ARG 17 1HH2 ARG 17 -4.317 2.565 8.820
112 H LYS 18 H LYS 18 2.017 3.989 2.457
113 HA LYS 18 HA LYS 18 1.640 3.137 -0.371
114 HB2 LYS 18 1HB LYS 18 3.335 5.469 0.555
115 HB3 LYS 18 2HB LYS 18 3.536 4.678 -1.016
116 HG2 LYS 18 1HG LYS 18 1.379 5.246 -1.769
117 HG3 LYS 18 2HG LYS 18 0.852 5.833 -0.194
118 HD2 LYS 18 1HD LYS 18 3.102 7.091 -1.806
119 HD3 LYS 18 2HD LYS 18 1.425 7.634 -1.885
120 HE2 LYS 18 1HE LYS 18 3.004 7.483 0.718
121 HE3 LYS 18 2HE LYS 18 2.993 8.918 -0.312
122 HZ1 LYS 18 3HZ LYS 18 0.546 7.732 0.923
123 HZ2 LYS 18 1HZ LYS 18 0.590 9.064 -0.024
124 HZ3 LYS 18 2HZ LYS 18 1.313 9.079 1.433
125 H PHE 19 H PHE 19 3.267 2.055 -1.347
126 HA PHE 19 HA PHE 19 5.191 0.638 0.468
127 HB2 PHE 19 1HB PHE 19 3.199 -0.627 -1.426
128 HB3 PHE 19 2HB PHE 19 4.311 -1.489 -0.393
129 HD1 PHE 19 1HD PHE 19 4.031 -1.537 2.087
130 HD2 PHE 19 2HD PHE 19 1.150 0.389 -0.472
131 HE1 PHE 19 1HE PHE 19 2.454 -1.364 3.996
132 HE2 PHE 19 2HE PHE 19 -0.418 0.597 1.453
133 HZ PHE 19 HZ PHE 19 0.245 -0.271 3.693
134 H LYS 20 H LYS 20 6.720 -0.731 -0.549
135 HA LYS 20 HA LYS 20 8.019 0.554 -2.792
136 HB2 LYS 20 1HB LYS 20 8.693 -1.969 -1.205
137 HB3 LYS 20 2HB LYS 20 9.748 -1.233 -2.417
138 HG2 LYS 20 1HG LYS 20 9.937 0.820 -1.079
139 HG3 LYS 20 2HG LYS 20 8.786 0.189 0.105
140 HD2 LYS 20 1HD LYS 20 11.009 -0.037 0.988
141 HD3 LYS 20 2HD LYS 20 10.338 -1.644 0.678
142 HE2 LYS 20 1HE LYS 20 11.635 -1.772 -1.444
143 HE3 LYS 20 2HE LYS 20 12.279 -0.151 -1.148
144 HZ1 LYS 20 3HZ LYS 20 12.732 -2.513 0.604
145 HZ2 LYS 20 1HZ LYS 20 13.337 -1.020 0.873
146 HZ3 LYS 20 2HZ LYS 20 13.832 -1.881 -0.422
147 H ASN 21 H ASN 21 6.202 -2.463 -2.471
148 HA ASN 21 HA ASN 21 6.294 -2.796 -5.429
149 HB2 ASN 21 1HB ASN 21 6.375 -5.292 -5.067
150 HB3 ASN 21 2HB ASN 21 7.860 -4.457 -4.689
151 HD21 ASN 21 1HD2 ASN 21 8.634 -4.475 -2.547
152 HD22 ASN 21 2HD2 ASN 21 7.703 -5.185 -1.216
153 H GLU 22 H GLU 22 4.571 -4.072 -6.270
154 HA GLU 22 HA GLU 22 2.017 -3.162 -5.449
155 HB2 GLU 22 1HB GLU 22 2.828 -3.974 -7.761
156 HB3 GLU 22 2HB GLU 22 2.580 -5.612 -7.171
157 HG2 GLU 22 1HG GLU 22 0.187 -5.111 -6.778
158 HG3 GLU 22 2HG GLU 22 0.440 -3.435 -7.259
159 H LEU 23 H LEU 23 3.710 -6.209 -4.856
160 HA LEU 23 HA LEU 23 1.652 -7.715 -3.626
161 HB2 LEU 23 1HB LEU 23 3.639 -8.775 -4.362
162 HB3 LEU 23 2HB LEU 23 4.687 -7.709 -3.430
163 HG LEU 23 HG LEU 23 3.818 -8.736 -1.308
164 HD11 LEU 23 1HD1 LEU 23 1.591 -9.496 -2.037
165 HD12 LEU 23 2HD1 LEU 23 2.538 -10.852 -1.427
166 HD13 LEU 23 3HD1 LEU 23 2.337 -10.635 -3.181
167 HD21 LEU 23 3HD2 LEU 23 4.874 -10.744 -3.339
168 HD22 LEU 23 1HD2 LEU 23 4.961 -10.889 -1.568
169 HD23 LEU 23 2HD2 LEU 23 5.853 -9.600 -2.392
170 H ASP 24 H ASP 24 4.131 -5.634 -2.023
171 HA ASP 24 HA ASP 24 3.199 -6.020 0.604
172 HB2 ASP 24 1HB ASP 24 4.898 -3.900 -0.692
173 HB3 ASP 24 2HB ASP 24 4.389 -3.733 0.983
174 H ARG 25 H ARG 25 2.080 -3.746 -1.807
175 HA ARG 25 HA ARG 25 0.263 -2.336 0.040
176 HB2 ARG 25 1HB ARG 25 1.321 -1.327 -2.010
177 HB3 ARG 25 2HB ARG 25 0.350 -2.341 -3.007
178 HG2 ARG 25 1HG ARG 25 -0.837 -0.382 -0.953
179 HG3 ARG 25 2HG ARG 25 -0.383 0.103 -2.586
180 HD2 ARG 25 1HD ARG 25 -2.559 -1.817 -1.759
181 HD3 ARG 25 2HD ARG 25 -2.724 -0.261 -2.545
182 HE ARG 25 HE ARG 25 -1.432 -2.663 -3.750
183 HH11 ARG 25 2HH1 ARG 25 -2.911 0.446 -4.424
184 HH12 ARG 25 1HH1 ARG 25 -3.280 -0.003 -6.072
185 HH21 ARG 25 2HH2 ARG 25 -2.212 -3.268 -5.674
186 HH22 ARG 25 1HH2 ARG 25 -2.788 -2.065 -6.822
187 H ASP 26 H ASP 26 -0.062 -4.883 -2.445
188 HA ASP 26 HA ASP 26 -2.882 -5.128 -2.280
189 HB2 ASP 26 1HB ASP 26 -0.652 -6.961 -3.205
190 HB3 ASP 26 2HB ASP 26 -2.301 -7.542 -3.104
191 H ARG 27 H ARG 27 -0.324 -6.844 -0.400
192 HA ARG 27 HA ARG 27 -2.269 -8.309 1.193
193 HB2 ARG 27 1HB ARG 27 -0.477 -9.023 2.565
194 HB3 ARG 27 2HB ARG 27 -0.025 -9.172 0.865
195 HG2 ARG 27 1HG ARG 27 1.363 -7.171 1.014
196 HG3 ARG 27 2HG ARG 27 0.823 -6.837 2.638
197 HD2 ARG 27 1HD ARG 27 1.830 -9.078 3.334
198 HD3 ARG 27 2HD ARG 27 2.458 -9.233 1.693
199 HE ARG 27 HE ARG 27 4.016 -7.471 2.080
200 HH11 ARG 27 2HH1 ARG 27 2.143 -7.959 5.026
201 HH12 ARG 27 1HH1 ARG 27 3.282 -7.029 5.961
202 HH21 ARG 27 2HH2 ARG 27 5.302 -6.365 3.232
203 HH22 ARG 27 1HH2 ARG 27 5.086 -6.132 4.971
204 H HIS 28 H HIS 28 -1.013 -5.049 1.504
205 HA HIS 28 HA HIS 28 -2.014 -4.666 4.222
206 HB2 HIS 28 1HB HIS 28 -0.332 -3.174 3.538
207 HB3 HIS 28 2HB HIS 28 -1.092 -2.831 1.994
208 HD1 HIS 28 1HD HIS 28 -1.559 -1.967 5.710
209 HD2 HIS 28 2HD HIS 28 -2.989 -1.006 1.874
210 HE1 HIS 28 1HE HIS 28 -3.073 0.042 6.022
211 H MET 29 H MET 29 -3.563 -4.308 0.951
212 HA MET 29 HA MET 29 -5.926 -3.111 1.882
213 HB2 MET 29 1HB MET 29 -5.841 -5.226 -0.294
214 HB3 MET 29 2HB MET 29 -7.025 -3.942 -0.088
215 HG2 MET 29 1HG MET 29 -4.146 -3.703 -0.950
216 HG3 MET 29 2HG MET 29 -5.574 -3.317 -1.880
217 HE1 MET 29 3HE MET 29 -7.374 -1.447 -0.020
218 HE2 MET 29 1HE MET 29 -6.707 0.114 -0.553
219 HE3 MET 29 2HE MET 29 -6.941 -1.199 -1.726
220 H LEU 30 H LEU 30 -4.896 -6.380 2.468
221 HA LEU 30 HA LEU 30 -7.383 -7.615 3.142
222 HB2 LEU 30 1HB LEU 30 -4.638 -8.090 4.366
223 HB3 LEU 30 2HB LEU 30 -5.998 -9.192 4.396
224 HG LEU 30 HG LEU 30 -4.460 -8.360 1.895
225 HD11 LEU 30 1HD1 LEU 30 -4.514 -10.998 3.414
226 HD12 LEU 30 2HD1 LEU 30 -3.180 -9.824 3.418
227 HD13 LEU 30 3HD1 LEU 30 -3.613 -10.659 1.918
228 HD21 LEU 30 3HD2 LEU 30 -6.776 -8.894 1.306
229 HD22 LEU 30 1HD2 LEU 30 -6.678 -10.417 2.224
230 HD23 LEU 30 2HD2 LEU 30 -5.683 -10.174 0.768
231 H VAL 31 H VAL 31 -5.427 -5.278 4.959
232 HA VAL 31 HA VAL 31 -6.687 -5.812 7.519
233 HB VAL 31 HB VAL 31 -5.599 -4.015 8.414
234 HG11 VAL 31 1HG1 VAL 31 -4.045 -5.758 7.652
235 HG12 VAL 31 2HG1 VAL 31 -3.705 -4.799 6.195
236 HG13 VAL 31 3HG1 VAL 31 -3.303 -4.153 7.792
237 HG21 VAL 31 3HG2 VAL 31 -6.240 -2.124 7.181
238 HG22 VAL 31 1HG2 VAL 31 -4.479 -2.171 7.129
239 HG23 VAL 31 2HG2 VAL 31 -5.425 -2.676 5.714
240 H HIS 32 H HIS 32 -7.617 -3.980 4.739
241 HA HIS 32 HA HIS 32 -9.854 -2.603 6.103
242 HB2 HIS 32 1HB HIS 32 -9.067 -2.619 3.165
243 HB3 HIS 32 2HB HIS 32 -10.211 -1.536 3.954
244 HD1 HIS 32 1HD HIS 32 -8.629 -0.422 6.361
245 HD2 HIS 32 2HD HIS 32 -6.995 -1.179 2.560
246 HE1 HIS 32 1HE HIS 32 -6.560 1.032 6.206
247 H GLY 33 H GLY 33 -9.343 -5.133 3.615
248 HA2 GLY 33 1HA GLY 33 -10.640 -6.917 2.946
249 HA3 GLY 33 2HA GLY 33 -11.157 -6.947 4.626
250 H ASP 34 H ASP 34 -13.271 -7.261 4.649
251 HA ASP 34 HA ASP 34 -15.078 -6.024 2.668
252 HB2 ASP 34 1HB ASP 34 -15.047 -8.498 3.225
253 HB3 ASP 34 2HB ASP 34 -15.721 -8.080 4.796
254 H LYS 35 H LYS 35 -13.786 -4.528 4.945
255 HA LYS 35 HA LYS 35 -14.050 -2.846 6.240
256 HB2 LYS 35 1HB LYS 35 -15.477 -2.245 4.192
257 HB3 LYS 35 2HB LYS 35 -16.878 -2.541 5.224
258 HG2 LYS 35 1HG LYS 35 -16.477 -0.234 5.271
259 HG3 LYS 35 2HG LYS 35 -15.932 -0.859 6.833
260 HD2 LYS 35 1HD LYS 35 -13.575 -0.708 6.086
261 HD3 LYS 35 2HD LYS 35 -14.117 -0.149 4.485
262 HE2 LYS 35 1HE LYS 35 -15.202 1.817 5.554
263 HE3 LYS 35 2HE LYS 35 -14.672 1.254 7.143
264 HZ1 LYS 35 3HZ LYS 35 -12.367 1.523 6.398
265 HZ2 LYS 35 1HZ LYS 35 -13.169 2.936 6.253
266 HZ3 LYS 35 2HZ LYS 35 -12.861 2.043 4.923
267 H TRP 36 H TRP 36 -16.578 -5.212 6.857
268 HA TRP 36 HA TRP 36 -17.051 -4.205 9.581
269 HB2 TRP 36 1HB TRP 36 -18.439 -6.143 9.900
270 HB3 TRP 36 2HB TRP 36 -18.862 -5.297 8.423
271 HD1 TRP 36 1HD TRP 36 -18.328 -6.502 6.119
272 HE1 TRP 36 1HE TRP 36 -18.040 -8.941 5.445
273 HE3 TRP 36 3HE TRP 36 -17.508 -8.486 10.768
274 HZ2 TRP 36 2HZ TRP 36 -17.549 -11.478 6.782
275 HZ3 TRP 36 3HZ TRP 36 -17.132 -10.928 11.038
276 HH2 TRP 36 2HH TRP 36 -17.146 -12.431 9.058
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 11.078 12.290 -6.428
2 H2 GLY 1 2H GLY 1 10.265 11.730 -5.118
3 H3 GLY 1 3H GLY 1 11.540 12.746 -4.924
4 HA2 GLY 1 1HA GLY 1 8.984 13.445 -6.235
5 HA3 GLY 1 2HA GLY 1 9.445 13.923 -4.592
6 H SER 2 H SER 2 9.883 16.091 -4.642
7 HA SER 2 HA SER 2 11.068 17.520 -6.829
8 HB2 SER 2 1HB SER 2 11.082 18.213 -3.865
9 HB3 SER 2 2HB SER 2 11.357 19.329 -5.217
10 HG SER 2 HG SER 2 9.187 19.409 -4.457
11 H SER 3 H SER 3 12.476 15.609 -4.277
12 HA SER 3 HA SER 3 15.153 15.854 -5.517
13 HB2 SER 3 1HB SER 3 16.224 15.778 -3.308
14 HB3 SER 3 2HB SER 3 15.238 17.235 -3.503
15 HG SER 3 HG SER 3 14.902 16.233 -1.463
16 H GLY 4 H GLY 4 16.552 13.980 -4.857
17 HA2 GLY 4 1HA GLY 4 16.965 11.735 -4.478
18 HA3 GLY 4 2HA GLY 4 15.293 11.480 -3.998
19 H SER 5 H SER 5 16.865 9.745 -5.596
20 HA SER 5 HA SER 5 15.865 9.969 -8.378
21 HB2 SER 5 1HB SER 5 17.603 8.280 -8.849
22 HB3 SER 5 2HB SER 5 18.248 9.742 -8.085
23 HG SER 5 HG SER 5 19.079 7.816 -7.129
24 H SER 6 H SER 6 14.814 8.416 -5.605
25 HA SER 6 HA SER 6 13.223 6.431 -7.112
26 HB2 SER 6 1HB SER 6 15.405 5.349 -6.394
27 HB3 SER 6 2HB SER 6 14.897 5.600 -4.714
28 HG SER 6 HG SER 6 14.331 3.513 -5.577
29 H GLY 7 H GLY 7 11.670 5.288 -5.537
30 HA2 GLY 7 1HA GLY 7 10.842 6.536 -3.096
31 HA3 GLY 7 2HA GLY 7 9.887 7.181 -4.434
32 H LEU 8 H LEU 8 8.315 6.161 -2.818
33 HA LEU 8 HA LEU 8 7.873 3.265 -3.076
34 HB2 LEU 8 1HB LEU 8 6.206 5.458 -1.790
35 HB3 LEU 8 2HB LEU 8 5.863 3.732 -1.698
36 HG LEU 8 HG LEU 8 8.389 5.058 -0.600
37 HD11 LEU 8 1HD1 LEU 8 6.350 5.736 0.612
38 HD12 LEU 8 2HD1 LEU 8 7.400 4.704 1.600
39 HD13 LEU 8 3HD1 LEU 8 5.936 4.026 0.861
40 HD21 LEU 8 3HD2 LEU 8 7.318 2.227 -0.232
41 HD22 LEU 8 1HD2 LEU 8 8.731 2.920 0.585
42 HD23 LEU 8 2HD2 LEU 8 8.769 2.671 -1.160
43 H LEU 9 H LEU 9 6.625 2.297 -4.478
44 HA LEU 9 HA LEU 9 5.729 3.891 -6.786
45 HB2 LEU 9 1HB LEU 9 6.247 0.933 -6.341
46 HB3 LEU 9 2HB LEU 9 5.719 1.611 -7.872
47 HG LEU 9 HG LEU 9 8.347 2.232 -6.445
48 HD11 LEU 9 1HD1 LEU 9 7.757 0.633 -8.969
49 HD12 LEU 9 2HD1 LEU 9 8.226 -0.039 -7.392
50 HD13 LEU 9 3HD1 LEU 9 9.366 0.974 -8.292
51 HD21 LEU 9 3HD2 LEU 9 7.682 4.186 -7.764
52 HD22 LEU 9 1HD2 LEU 9 7.322 3.150 -9.167
53 HD23 LEU 9 2HD2 LEU 9 8.992 3.337 -8.584
54 H TYR 10 H TYR 10 4.205 1.885 -4.344
55 HA TYR 10 HA TYR 10 1.600 2.005 -5.826
56 HB2 TYR 10 1HB TYR 10 2.567 -0.150 -3.916
57 HB3 TYR 10 2HB TYR 10 1.035 -0.112 -4.757
58 HD1 TYR 10 1HD TYR 10 4.696 -0.533 -5.194
59 HD2 TYR 10 2HD TYR 10 0.843 -0.627 -7.131
60 HE1 TYR 10 1HE TYR 10 5.744 -1.505 -7.247
61 HE2 TYR 10 2HE TYR 10 1.876 -1.643 -9.149
62 HH TYR 10 HH TYR 10 3.824 -2.329 -10.155
63 H ASP 11 H ASP 11 -0.330 2.272 -4.645
64 HA ASP 11 HA ASP 11 -0.041 3.346 -1.885
65 HB2 ASP 11 1HB ASP 11 -1.257 5.304 -2.407
66 HB3 ASP 11 2HB ASP 11 0.089 5.190 -3.530
67 H CYS 12 H CYS 12 -1.702 3.228 -0.540
68 HA CYS 12 HA CYS 12 -3.978 1.433 -1.102
69 HB2 CYS 12 1HB CYS 12 -2.755 1.196 0.987
70 HB3 CYS 12 2HB CYS 12 -2.996 2.916 1.364
71 H HIS 13 H HIS 13 -5.915 2.164 -1.700
72 HA HIS 13 HA HIS 13 -6.465 5.070 -1.765
73 HB2 HIS 13 1HB HIS 13 -8.226 4.575 -3.298
74 HB3 HIS 13 2HB HIS 13 -6.728 3.830 -3.833
75 HD1 HIS 13 1HD HIS 13 -10.117 2.833 -2.261
76 HD2 HIS 13 2HD HIS 13 -6.833 1.242 -4.353
77 HE1 HIS 13 1HE HIS 13 -10.778 0.457 -2.931
78 H ILE 14 H ILE 14 -6.739 3.008 0.640
79 HA ILE 14 HA ILE 14 -9.468 3.866 1.533
80 HB ILE 14 HB ILE 14 -7.751 1.732 2.754
81 HG12 ILE 14 1HG1 ILE 14 -8.212 1.045 0.434
82 HG13 ILE 14 2HG1 ILE 14 -8.994 0.037 1.632
83 HG21 ILE 14 1HG2 ILE 14 -10.683 2.478 3.048
84 HG22 ILE 14 2HG2 ILE 14 -9.979 0.977 3.675
85 HG23 ILE 14 3HG2 ILE 14 -9.415 2.531 4.287
86 HD11 ILE 14 3HD1 ILE 14 -11.155 1.047 1.190
87 HD12 ILE 14 1HD1 ILE 14 -10.407 2.191 0.040
88 HD13 ILE 14 2HD1 ILE 14 -10.416 0.441 -0.299
89 H CYS 15 H CYS 15 -6.043 3.704 2.526
90 HA CYS 15 HA CYS 15 -6.537 5.745 4.626
91 HB2 CYS 15 1HB CYS 15 -5.291 4.586 6.216
92 HB3 CYS 15 2HB CYS 15 -6.591 3.566 5.622
93 H GLU 16 H GLU 16 -5.082 5.539 1.895
94 HA GLU 16 HA GLU 16 -3.453 6.715 0.851
95 HB2 GLU 16 1HB GLU 16 -4.037 8.297 3.343
96 HB3 GLU 16 2HB GLU 16 -2.789 8.864 2.229
97 HG2 GLU 16 1HG GLU 16 -4.762 9.971 1.593
98 HG3 GLU 16 2HG GLU 16 -4.464 8.761 0.357
99 H ARG 17 H ARG 17 -2.469 4.660 3.056
100 HA ARG 17 HA ARG 17 0.367 5.282 3.320
101 HB2 ARG 17 1HB ARG 17 -1.431 2.920 3.801
102 HB3 ARG 17 2HB ARG 17 0.263 2.551 3.492
103 HG2 ARG 17 1HG ARG 17 1.043 3.893 5.293
104 HG3 ARG 17 2HG ARG 17 -0.549 4.616 5.570
105 HD2 ARG 17 1HD ARG 17 -0.139 1.613 5.788
106 HD3 ARG 17 2HD ARG 17 0.281 2.693 7.113
107 HE ARG 17 HE ARG 17 -2.454 2.866 5.899
108 HH11 ARG 17 2HH1 ARG 17 -0.634 2.118 8.816
109 HH12 ARG 17 1HH1 ARG 17 -2.076 2.165 9.794
110 HH21 ARG 17 2HH2 ARG 17 -4.144 2.865 7.110
111 HH22 ARG 17 1HH2 ARG 17 -4.058 2.594 8.847
112 H LYS 18 H LYS 18 2.103 4.140 2.369
113 HA LYS 18 HA LYS 18 1.689 3.360 -0.476
114 HB2 LYS 18 1HB LYS 18 3.679 5.453 0.473
115 HB3 LYS 18 2HB LYS 18 3.582 4.760 -1.154
116 HG2 LYS 18 1HG LYS 18 1.267 5.621 -1.393
117 HG3 LYS 18 2HG LYS 18 1.416 6.438 0.167
118 HD2 LYS 18 1HD LYS 18 3.223 6.940 -2.238
119 HD3 LYS 18 2HD LYS 18 1.809 7.917 -1.805
120 HE2 LYS 18 1HE LYS 18 2.854 8.422 0.408
121 HE3 LYS 18 2HE LYS 18 4.293 7.513 -0.075
122 HZ1 LYS 18 3HZ LYS 18 3.264 9.941 -1.449
123 HZ2 LYS 18 1HZ LYS 18 4.588 9.100 -1.911
124 HZ3 LYS 18 2HZ LYS 18 4.575 9.888 -0.482
125 H PHE 19 H PHE 19 3.272 2.125 -1.442
126 HA PHE 19 HA PHE 19 5.141 0.686 0.401
127 HB2 PHE 19 1HB PHE 19 3.117 -0.473 -1.518
128 HB3 PHE 19 2HB PHE 19 4.231 -1.401 -0.542
129 HD1 PHE 19 1HD PHE 19 4.002 -1.612 1.881
130 HD2 PHE 19 2HD PHE 19 1.090 0.534 -0.444
131 HE1 PHE 19 1HE PHE 19 2.488 -1.604 3.821
132 HE2 PHE 19 2HE PHE 19 -0.405 0.655 1.552
133 HZ PHE 19 HZ PHE 19 0.302 -0.395 3.700
134 H LYS 20 H LYS 20 6.629 -0.712 -0.577
135 HA LYS 20 HA LYS 20 7.982 0.519 -2.808
136 HB2 LYS 20 1HB LYS 20 8.977 -0.459 -0.676
137 HB3 LYS 20 2HB LYS 20 8.692 -2.067 -1.342
138 HG2 LYS 20 1HG LYS 20 10.147 -1.569 -3.258
139 HG3 LYS 20 2HG LYS 20 10.340 0.110 -2.702
140 HD2 LYS 20 1HD LYS 20 11.400 -0.761 -0.593
141 HD3 LYS 20 2HD LYS 20 11.306 -2.405 -1.268
142 HE2 LYS 20 1HE LYS 20 12.663 -1.643 -3.225
143 HE3 LYS 20 2HE LYS 20 12.758 -0.026 -2.515
144 HZ1 LYS 20 3HZ LYS 20 14.741 -1.336 -2.005
145 HZ2 LYS 20 1HZ LYS 20 13.859 -2.497 -1.276
146 HZ3 LYS 20 2HZ LYS 20 13.948 -1.002 -0.619
147 H ASN 21 H ASN 21 6.340 -2.594 -2.378
148 HA ASN 21 HA ASN 21 6.251 -2.890 -5.348
149 HB2 ASN 21 1HB ASN 21 6.314 -5.380 -5.026
150 HB3 ASN 21 2HB ASN 21 7.819 -4.563 -4.712
151 HD21 ASN 21 1HD2 ASN 21 8.778 -4.790 -2.700
152 HD22 ASN 21 2HD2 ASN 21 8.016 -5.679 -1.387
153 H GLU 22 H GLU 22 4.511 -4.130 -6.152
154 HA GLU 22 HA GLU 22 1.983 -3.188 -5.286
155 HB2 GLU 22 1HB GLU 22 2.743 -4.001 -7.615
156 HB3 GLU 22 2HB GLU 22 2.494 -5.637 -7.028
157 HG2 GLU 22 1HG GLU 22 0.110 -5.117 -6.587
158 HG3 GLU 22 2HG GLU 22 0.368 -3.446 -7.080
159 H LEU 23 H LEU 23 3.639 -6.273 -4.775
160 HA LEU 23 HA LEU 23 1.604 -7.759 -3.493
161 HB2 LEU 23 1HB LEU 23 3.576 -8.830 -4.288
162 HB3 LEU 23 2HB LEU 23 4.642 -7.777 -3.369
163 HG LEU 23 HG LEU 23 3.825 -8.816 -1.241
164 HD11 LEU 23 1HD1 LEU 23 2.523 -10.920 -1.341
165 HD12 LEU 23 2HD1 LEU 23 2.278 -10.688 -3.087
166 HD13 LEU 23 3HD1 LEU 23 1.572 -9.551 -1.915
167 HD21 LEU 23 3HD2 LEU 23 4.807 -10.818 -3.314
168 HD22 LEU 23 1HD2 LEU 23 4.941 -10.977 -1.547
169 HD23 LEU 23 2HD2 LEU 23 5.823 -9.690 -2.386
170 H ASP 24 H ASP 24 4.119 -5.643 -1.949
171 HA ASP 24 HA ASP 24 3.264 -6.116 0.664
172 HB2 ASP 24 1HB ASP 24 5.432 -5.021 -0.182
173 HB3 ASP 24 2HB ASP 24 4.527 -3.509 -0.154
174 H ARG 25 H ARG 25 2.080 -3.768 -1.650
175 HA ARG 25 HA ARG 25 0.269 -2.373 0.206
176 HB2 ARG 25 1HB ARG 25 1.294 -1.375 -1.858
177 HB3 ARG 25 2HB ARG 25 0.327 -2.383 -2.847
178 HG2 ARG 25 1HG ARG 25 -0.852 -0.415 -0.802
179 HG3 ARG 25 2HG ARG 25 -0.407 0.052 -2.445
180 HD2 ARG 25 1HD ARG 25 -2.583 -1.838 -1.565
181 HD3 ARG 25 2HD ARG 25 -2.753 -0.298 -2.373
182 HE ARG 25 HE ARG 25 -1.508 -2.728 -3.565
183 HH11 ARG 25 2HH1 ARG 25 -2.947 0.395 -4.257
184 HH12 ARG 25 1HH1 ARG 25 -3.372 -0.077 -5.885
185 HH21 ARG 25 2HH2 ARG 25 -2.314 -3.342 -5.473
186 HH22 ARG 25 1HH2 ARG 25 -2.914 -2.148 -6.620
187 H ASP 26 H ASP 26 -0.080 -4.922 -2.274
188 HA ASP 26 HA ASP 26 -2.890 -5.179 -2.064
189 HB2 ASP 26 1HB ASP 26 -0.662 -6.992 -3.025
190 HB3 ASP 26 2HB ASP 26 -2.295 -7.604 -2.889
191 H ARG 27 H ARG 27 -0.300 -6.949 -0.256
192 HA ARG 27 HA ARG 27 -2.208 -8.454 1.329
193 HB2 ARG 27 1HB ARG 27 -0.408 -9.146 2.704
194 HB3 ARG 27 2HB ARG 27 0.053 -9.272 1.006
195 HG2 ARG 27 1HG ARG 27 1.462 -7.322 1.167
196 HG3 ARG 27 2HG ARG 27 0.858 -6.912 2.762
197 HD2 ARG 27 1HD ARG 27 1.792 -9.072 3.630
198 HD3 ARG 27 2HD ARG 27 2.453 -9.406 2.015
199 HE ARG 27 HE ARG 27 3.423 -6.851 2.804
200 HH11 ARG 27 2HH1 ARG 27 3.866 -10.159 3.927
201 HH12 ARG 27 1HH1 ARG 27 5.440 -9.789 4.576
202 HH21 ARG 27 2HH2 ARG 27 5.308 -6.480 3.567
203 HH22 ARG 27 1HH2 ARG 27 6.274 -7.710 4.393
204 H HIS 28 H HIS 28 -1.039 -5.194 1.655
205 HA HIS 28 HA HIS 28 -2.107 -4.826 4.368
206 HB2 HIS 28 1HB HIS 28 -0.348 -3.379 3.788
207 HB3 HIS 28 2HB HIS 28 -1.004 -3.016 2.203
208 HD1 HIS 28 1HD HIS 28 -1.547 -2.058 5.870
209 HD2 HIS 28 2HD HIS 28 -2.923 -1.188 1.991
210 HE1 HIS 28 1HE HIS 28 -3.028 -0.016 6.107
211 H MET 29 H MET 29 -3.462 -4.331 1.025
212 HA MET 29 HA MET 29 -5.839 -3.083 1.889
213 HB2 MET 29 1HB MET 29 -5.589 -4.995 -0.463
214 HB3 MET 29 2HB MET 29 -6.837 -3.779 -0.196
215 HG2 MET 29 1HG MET 29 -4.522 -2.262 -0.008
216 HG3 MET 29 2HG MET 29 -4.085 -3.482 -1.198
217 HE1 MET 29 3HE MET 29 -7.303 -0.204 -1.589
218 HE2 MET 29 1HE MET 29 -7.417 -1.473 -0.357
219 HE3 MET 29 2HE MET 29 -6.063 -0.318 -0.326
220 H LEU 30 H LEU 30 -4.953 -6.408 2.321
221 HA LEU 30 HA LEU 30 -7.490 -7.608 2.796
222 HB2 LEU 30 1HB LEU 30 -4.881 -8.148 4.268
223 HB3 LEU 30 2HB LEU 30 -6.245 -9.242 4.107
224 HG LEU 30 HG LEU 30 -4.415 -8.332 1.846
225 HD11 LEU 30 1HD1 LEU 30 -3.615 -10.652 1.866
226 HD12 LEU 30 2HD1 LEU 30 -4.692 -11.031 3.228
227 HD13 LEU 30 3HD1 LEU 30 -3.349 -9.888 3.441
228 HD21 LEU 30 3HD2 LEU 30 -5.510 -10.027 0.470
229 HD22 LEU 30 1HD2 LEU 30 -6.679 -8.810 0.988
230 HD23 LEU 30 2HD2 LEU 30 -6.634 -10.404 1.791
231 H VAL 31 H VAL 31 -5.592 -5.397 4.870
232 HA VAL 31 HA VAL 31 -7.051 -5.982 7.291
233 HB VAL 31 HB VAL 31 -5.967 -4.250 8.332
234 HG11 VAL 31 1HG1 VAL 31 -3.958 -5.055 6.226
235 HG12 VAL 31 2HG1 VAL 31 -3.642 -4.468 7.865
236 HG13 VAL 31 3HG1 VAL 31 -4.440 -6.034 7.627
237 HG21 VAL 31 3HG2 VAL 31 -4.675 -2.425 7.164
238 HG22 VAL 31 1HG2 VAL 31 -5.585 -2.834 5.697
239 HG23 VAL 31 2HG2 VAL 31 -6.432 -2.292 7.148
240 H HIS 32 H HIS 32 -7.783 -4.020 4.556
241 HA HIS 32 HA HIS 32 -10.020 -2.594 5.866
242 HB2 HIS 32 1HB HIS 32 -9.073 -2.527 2.985
243 HB3 HIS 32 2HB HIS 32 -10.205 -1.419 3.751
244 HD1 HIS 32 1HD HIS 32 -8.711 -0.440 6.273
245 HD2 HIS 32 2HD HIS 32 -6.927 -1.206 2.550
246 HE1 HIS 32 1HE HIS 32 -6.562 0.906 6.262
247 H GLY 33 H GLY 33 -9.598 -5.625 4.558
248 HA2 GLY 33 1HA GLY 33 -11.276 -7.267 4.508
249 HA3 GLY 33 2HA GLY 33 -12.517 -6.041 4.263
250 H ASP 34 H ASP 34 -9.946 -5.527 2.066
251 HA ASP 34 HA ASP 34 -11.526 -6.521 -0.189
252 HB2 ASP 34 1HB ASP 34 -8.892 -5.039 -0.045
253 HB3 ASP 34 2HB ASP 34 -9.720 -5.467 -1.542
254 H LYS 35 H LYS 35 -10.912 -8.618 1.326
255 HA LYS 35 HA LYS 35 -8.587 -10.093 0.230
256 HB2 LYS 35 1HB LYS 35 -8.893 -11.611 2.079
257 HB3 LYS 35 2HB LYS 35 -8.904 -9.949 2.667
258 HG2 LYS 35 1HG LYS 35 -11.389 -10.013 2.815
259 HG3 LYS 35 2HG LYS 35 -11.377 -11.684 2.218
260 HD2 LYS 35 1HD LYS 35 -10.034 -12.369 4.208
261 HD3 LYS 35 2HD LYS 35 -10.018 -10.691 4.763
262 HE2 LYS 35 1HE LYS 35 -11.691 -11.802 6.032
263 HE3 LYS 35 2HE LYS 35 -12.522 -10.733 4.901
264 HZ1 LYS 35 3HZ LYS 35 -12.162 -13.666 4.530
265 HZ2 LYS 35 1HZ LYS 35 -12.969 -12.687 3.497
266 HZ3 LYS 35 2HZ LYS 35 -13.544 -12.945 5.000
267 H TRP 36 H TRP 36 -11.719 -9.821 -0.763
268 HA TRP 36 HA TRP 36 -11.818 -12.517 -1.998
269 HB2 TRP 36 1HB TRP 36 -14.152 -12.663 -1.436
270 HB3 TRP 36 2HB TRP 36 -13.189 -12.543 0.019
271 HD1 TRP 36 1HD TRP 36 -13.234 -10.035 1.233
272 HE1 TRP 36 1HE TRP 36 -15.158 -8.371 1.494
273 HE3 TRP 36 3HE TRP 36 -16.308 -11.782 -2.478
274 HZ2 TRP 36 2HZ TRP 36 -17.746 -7.900 0.299
275 HZ3 TRP 36 3HZ TRP 36 -18.516 -10.713 -2.876
276 HH2 TRP 36 2HH TRP 36 -19.245 -8.776 -1.500
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 17.084 10.488 -10.286
2 H2 GLY 1 2H GLY 1 18.222 11.540 -9.760
3 H3 GLY 1 3H GLY 1 16.836 12.101 -10.435
4 HA2 GLY 1 1HA GLY 1 16.758 12.374 -8.046
5 HA3 GLY 1 2HA GLY 1 15.514 11.250 -8.622
6 H SER 2 H SER 2 16.708 11.429 -5.990
7 HA SER 2 HA SER 2 17.504 10.238 -4.281
8 HB2 SER 2 1HB SER 2 15.973 8.493 -5.038
9 HB3 SER 2 2HB SER 2 17.261 7.774 -6.023
10 HG SER 2 HG SER 2 16.973 6.822 -3.924
11 H SER 3 H SER 3 19.305 9.341 -3.285
12 HA SER 3 HA SER 3 21.883 9.583 -4.711
13 HB2 SER 3 1HB SER 3 21.280 8.882 -1.816
14 HB3 SER 3 2HB SER 3 22.879 9.219 -2.505
15 HG SER 3 HG SER 3 21.971 11.067 -1.485
16 H GLY 4 H GLY 4 19.616 7.100 -4.215
17 HA2 GLY 4 1HA GLY 4 20.589 5.120 -5.654
18 HA3 GLY 4 2HA GLY 4 21.607 4.879 -4.232
19 H SER 5 H SER 5 19.021 5.822 -2.631
20 HA SER 5 HA SER 5 18.049 3.118 -2.110
21 HB2 SER 5 1HB SER 5 18.405 4.845 -0.339
22 HB3 SER 5 2HB SER 5 17.021 5.746 -0.991
23 HG SER 5 HG SER 5 16.466 4.306 0.747
24 H SER 6 H SER 6 15.968 2.297 -2.433
25 HA SER 6 HA SER 6 14.597 3.246 -4.817
26 HB2 SER 6 1HB SER 6 13.150 1.226 -4.403
27 HB3 SER 6 2HB SER 6 14.878 0.924 -4.644
28 HG SER 6 HG SER 6 14.228 -0.285 -2.908
29 H GLY 7 H GLY 7 12.634 4.151 -5.042
30 HA2 GLY 7 1HA GLY 7 11.422 5.530 -2.746
31 HA3 GLY 7 2HA GLY 7 10.991 5.700 -4.446
32 H LEU 8 H LEU 8 9.008 5.755 -2.793
33 HA LEU 8 HA LEU 8 7.654 3.124 -2.649
34 HB2 LEU 8 1HB LEU 8 6.655 5.918 -1.984
35 HB3 LEU 8 2HB LEU 8 5.789 4.411 -1.698
36 HG LEU 8 HG LEU 8 8.426 5.191 -0.369
37 HD11 LEU 8 1HD1 LEU 8 5.658 5.026 0.849
38 HD12 LEU 8 2HD1 LEU 8 6.402 6.544 0.304
39 HD13 LEU 8 3HD1 LEU 8 7.148 5.604 1.614
40 HD21 LEU 8 3HD2 LEU 8 6.541 2.844 0.130
41 HD22 LEU 8 1HD2 LEU 8 7.937 3.275 1.142
42 HD23 LEU 8 2HD2 LEU 8 8.186 2.745 -0.527
43 H LEU 9 H LEU 9 6.160 2.469 -4.030
44 HA LEU 9 HA LEU 9 5.706 4.085 -6.522
45 HB2 LEU 9 1HB LEU 9 6.411 1.156 -6.123
46 HB3 LEU 9 2HB LEU 9 5.855 1.814 -7.652
47 HG LEU 9 HG LEU 9 8.408 2.632 -6.188
48 HD11 LEU 9 1HD1 LEU 9 9.555 1.458 -8.014
49 HD12 LEU 9 2HD1 LEU 9 7.991 0.988 -8.718
50 HD13 LEU 9 3HD1 LEU 9 8.488 0.357 -7.133
51 HD21 LEU 9 3HD2 LEU 9 7.355 3.448 -8.934
52 HD22 LEU 9 1HD2 LEU 9 8.993 3.776 -8.324
53 HD23 LEU 9 2HD2 LEU 9 7.603 4.519 -7.534
54 H TYR 10 H TYR 10 4.215 1.993 -4.164
55 HA TYR 10 HA TYR 10 1.641 2.010 -5.697
56 HB2 TYR 10 1HB TYR 10 2.698 -0.115 -3.798
57 HB3 TYR 10 2HB TYR 10 1.158 -0.144 -4.624
58 HD1 TYR 10 1HD TYR 10 4.829 -0.375 -5.092
59 HD2 TYR 10 2HD TYR 10 0.972 -0.662 -7.000
60 HE1 TYR 10 1HE TYR 10 5.917 -1.263 -7.158
61 HE2 TYR 10 2HE TYR 10 2.050 -1.600 -9.041
62 HH TYR 10 HH TYR 10 5.601 -2.051 -9.287
63 H ASP 11 H ASP 11 -0.245 2.468 -4.638
64 HA ASP 11 HA ASP 11 -0.047 3.416 -1.821
65 HB2 ASP 11 1HB ASP 11 -1.209 5.402 -2.351
66 HB3 ASP 11 2HB ASP 11 0.161 5.279 -3.447
67 H CYS 12 H CYS 12 -1.732 3.276 -0.524
68 HA CYS 12 HA CYS 12 -3.936 1.437 -1.136
69 HB2 CYS 12 1HB CYS 12 -2.781 1.322 0.991
70 HB3 CYS 12 2HB CYS 12 -3.109 3.036 1.310
71 H HIS 13 H HIS 13 -5.867 2.042 -1.887
72 HA HIS 13 HA HIS 13 -6.585 4.893 -2.061
73 HB2 HIS 13 1HB HIS 13 -8.363 4.193 -3.537
74 HB3 HIS 13 2HB HIS 13 -6.800 3.592 -4.057
75 HD1 HIS 13 1HD HIS 13 -6.674 1.001 -4.493
76 HD2 HIS 13 2HD HIS 13 -10.090 2.306 -2.412
77 HE1 HIS 13 1HE HIS 13 -8.236 -1.007 -4.358
78 H ILE 14 H ILE 14 -6.856 2.831 0.434
79 HA ILE 14 HA ILE 14 -9.565 3.782 1.294
80 HB ILE 14 HB ILE 14 -7.856 1.694 2.613
81 HG12 ILE 14 1HG1 ILE 14 -8.398 0.879 0.368
82 HG13 ILE 14 2HG1 ILE 14 -9.185 -0.035 1.633
83 HG21 ILE 14 1HG2 ILE 14 -10.766 2.509 2.952
84 HG22 ILE 14 2HG2 ILE 14 -10.061 1.038 3.649
85 HG23 ILE 14 3HG2 ILE 14 -9.460 2.619 4.148
86 HD11 ILE 14 3HD1 ILE 14 -11.323 1.014 1.170
87 HD12 ILE 14 1HD1 ILE 14 -10.565 2.071 -0.054
88 HD13 ILE 14 2HD1 ILE 14 -10.629 0.308 -0.298
89 H CYS 15 H CYS 15 -6.155 3.582 2.365
90 HA CYS 15 HA CYS 15 -6.651 5.746 4.344
91 HB2 CYS 15 1HB CYS 15 -5.519 4.639 6.030
92 HB3 CYS 15 2HB CYS 15 -6.802 3.610 5.415
93 H GLU 16 H GLU 16 -5.054 5.322 1.680
94 HA GLU 16 HA GLU 16 -3.391 6.463 0.651
95 HB2 GLU 16 1HB GLU 16 -3.970 8.158 3.068
96 HB3 GLU 16 2HB GLU 16 -2.737 8.660 1.897
97 HG2 GLU 16 1HG GLU 16 -4.420 8.511 0.074
98 HG3 GLU 16 2HG GLU 16 -5.649 8.034 1.248
99 H ARG 17 H ARG 17 -2.540 4.611 3.167
100 HA ARG 17 HA ARG 17 0.277 5.076 3.485
101 HB2 ARG 17 1HB ARG 17 -1.656 2.841 3.961
102 HB3 ARG 17 2HB ARG 17 0.009 2.333 3.701
103 HG2 ARG 17 1HG ARG 17 0.850 3.683 5.481
104 HG3 ARG 17 2HG ARG 17 -0.704 4.503 5.712
105 HD2 ARG 17 1HD ARG 17 -0.436 1.486 6.006
106 HD3 ARG 17 2HD ARG 17 -0.042 2.587 7.321
107 HE ARG 17 HE ARG 17 -2.706 2.834 5.976
108 HH11 ARG 17 1HH1 ARG 17 -1.071 2.034 8.984
109 HH12 ARG 17 2HH1 ARG 17 -2.563 2.121 9.881
110 HH21 ARG 17 2HH2 ARG 17 -4.459 2.875 7.087
111 HH22 ARG 17 1HH2 ARG 17 -4.478 2.609 8.827
112 H LYS 18 H LYS 18 2.050 3.860 2.638
113 HA LYS 18 HA LYS 18 1.731 3.106 -0.229
114 HB2 LYS 18 1HB LYS 18 3.502 5.334 0.832
115 HB3 LYS 18 2HB LYS 18 3.608 4.645 -0.809
116 HG2 LYS 18 1HG LYS 18 1.221 5.245 -1.173
117 HG3 LYS 18 2HG LYS 18 1.211 6.033 0.419
118 HD2 LYS 18 1HD LYS 18 2.962 7.600 -0.313
119 HD3 LYS 18 2HD LYS 18 3.035 6.771 -1.887
120 HE2 LYS 18 1HE LYS 18 1.652 8.677 -2.196
121 HE3 LYS 18 2HE LYS 18 0.635 7.224 -2.226
122 HZ1 LYS 18 3HZ LYS 18 0.929 9.078 0.092
123 HZ2 LYS 18 1HZ LYS 18 -0.002 7.734 0.114
124 HZ3 LYS 18 2HZ LYS 18 -0.381 8.987 -0.871
125 H PHE 19 H PHE 19 3.336 2.086 -1.248
126 HA PHE 19 HA PHE 19 5.321 0.617 0.455
127 HB2 PHE 19 1HB PHE 19 3.248 -0.647 -1.359
128 HB3 PHE 19 2HB PHE 19 4.412 -1.500 -0.373
129 HD1 PHE 19 1HD PHE 19 4.190 -1.567 2.126
130 HD2 PHE 19 2HD PHE 19 1.230 0.352 -0.347
131 HE1 PHE 19 1HE PHE 19 2.650 -1.441 4.067
132 HE2 PHE 19 2HE PHE 19 -0.302 0.510 1.608
133 HZ PHE 19 HZ PHE 19 0.415 -0.380 3.824
134 H LYS 20 H LYS 20 6.857 -0.682 -0.687
135 HA LYS 20 HA LYS 20 7.881 0.652 -3.082
136 HB2 LYS 20 1HB LYS 20 8.943 -1.664 -1.398
137 HB3 LYS 20 2HB LYS 20 9.758 -0.997 -2.815
138 HG2 LYS 20 1HG LYS 20 9.610 1.291 -1.669
139 HG3 LYS 20 2HG LYS 20 9.152 0.417 -0.194
140 HD2 LYS 20 1HD LYS 20 11.299 -0.808 -0.247
141 HD3 LYS 20 2HD LYS 20 11.704 -0.039 -1.799
142 HE2 LYS 20 1HE LYS 20 11.498 2.209 -0.655
143 HE3 LYS 20 2HE LYS 20 11.345 1.360 0.890
144 HZ1 LYS 20 3HZ LYS 20 13.646 2.046 0.394
145 HZ2 LYS 20 1HZ LYS 20 13.656 1.153 -0.969
146 HZ3 LYS 20 2HZ LYS 20 13.560 0.410 0.490
147 H ASN 21 H ASN 21 6.290 -2.458 -2.500
148 HA ASN 21 HA ASN 21 6.283 -2.884 -5.457
149 HB2 ASN 21 1HB ASN 21 6.379 -5.350 -5.017
150 HB3 ASN 21 2HB ASN 21 7.864 -4.496 -4.664
151 HD21 ASN 21 1HD2 ASN 21 8.571 -4.337 -2.490
152 HD22 ASN 21 2HD2 ASN 21 7.687 -5.097 -1.155
153 H GLU 22 H GLU 22 4.542 -4.087 -6.261
154 HA GLU 22 HA GLU 22 2.009 -3.153 -5.407
155 HB2 GLU 22 1HB GLU 22 2.765 -3.968 -7.730
156 HB3 GLU 22 2HB GLU 22 2.537 -5.608 -7.137
157 HG2 GLU 22 1HG GLU 22 0.152 -5.128 -6.700
158 HG3 GLU 22 2HG GLU 22 0.383 -3.445 -7.172
159 H LEU 23 H LEU 23 3.683 -6.206 -4.837
160 HA LEU 23 HA LEU 23 1.643 -7.702 -3.569
161 HB2 LEU 23 1HB LEU 23 3.628 -8.755 -4.330
162 HB3 LEU 23 2HB LEU 23 4.682 -7.698 -3.390
163 HG LEU 23 HG LEU 23 3.823 -8.739 -1.279
164 HD11 LEU 23 1HD1 LEU 23 2.528 -10.847 -1.405
165 HD12 LEU 23 2HD1 LEU 23 2.312 -10.611 -3.155
166 HD13 LEU 23 3HD1 LEU 23 1.585 -9.477 -1.994
167 HD21 LEU 23 3HD2 LEU 23 4.847 -10.741 -3.332
168 HD22 LEU 23 1HD2 LEU 23 4.947 -10.901 -1.561
169 HD23 LEU 23 2HD2 LEU 23 5.844 -9.613 -2.384
170 H ASP 24 H ASP 24 4.152 -5.620 -2.008
171 HA ASP 24 HA ASP 24 3.251 -5.986 0.624
172 HB2 ASP 24 1HB ASP 24 4.953 -3.899 -0.700
173 HB3 ASP 24 2HB ASP 24 4.432 -3.677 0.965
174 H ARG 25 H ARG 25 2.087 -3.735 -1.772
175 HA ARG 25 HA ARG 25 0.304 -2.309 0.105
176 HB2 ARG 25 1HB ARG 25 1.364 -1.292 -1.947
177 HB3 ARG 25 2HB ARG 25 0.374 -2.281 -2.944
178 HG2 ARG 25 1HG ARG 25 -0.761 -0.304 -0.876
179 HG3 ARG 25 2HG ARG 25 -0.325 0.163 -2.520
180 HD2 ARG 25 1HD ARG 25 -2.514 -1.711 -1.636
181 HD3 ARG 25 2HD ARG 25 -2.676 -0.172 -2.441
182 HE ARG 25 HE ARG 25 -1.441 -2.604 -3.642
183 HH11 ARG 25 2HH1 ARG 25 -2.864 0.530 -4.319
184 HH12 ARG 25 1HH1 ARG 25 -3.259 0.078 -5.959
185 HH21 ARG 25 2HH2 ARG 25 -2.238 -3.198 -5.566
186 HH22 ARG 25 1HH2 ARG 25 -2.815 -1.987 -6.706
187 H ASP 26 H ASP 26 -0.048 -4.842 -2.382
188 HA ASP 26 HA ASP 26 -2.866 -5.059 -2.205
189 HB2 ASP 26 1HB ASP 26 -0.651 -6.902 -3.161
190 HB3 ASP 26 2HB ASP 26 -2.297 -7.485 -3.043
191 H ARG 27 H ARG 27 -0.306 -6.835 -0.376
192 HA ARG 27 HA ARG 27 -2.229 -8.339 1.195
193 HB2 ARG 27 1HB ARG 27 -0.429 -9.052 2.560
194 HB3 ARG 27 2HB ARG 27 0.032 -9.156 0.862
195 HG2 ARG 27 1HG ARG 27 1.389 -7.135 1.059
196 HG3 ARG 27 2HG ARG 27 0.832 -6.834 2.679
197 HD2 ARG 27 1HD ARG 27 1.873 -9.067 3.355
198 HD3 ARG 27 2HD ARG 27 2.506 -9.195 1.714
199 HE ARG 27 HE ARG 27 4.043 -7.425 2.123
200 HH11 ARG 27 2HH1 ARG 27 2.153 -7.939 5.054
201 HH12 ARG 27 1HH1 ARG 27 3.275 -6.999 6.000
202 HH21 ARG 27 2HH2 ARG 27 5.309 -6.309 3.288
203 HH22 ARG 27 1HH2 ARG 27 5.077 -6.080 5.025
204 H HIS 28 H HIS 28 -0.986 -5.081 1.574
205 HA HIS 28 HA HIS 28 -2.082 -4.725 4.273
206 HB2 HIS 28 1HB HIS 28 -0.325 -3.264 3.691
207 HB3 HIS 28 2HB HIS 28 -0.992 -2.900 2.107
208 HD1 HIS 28 1HD HIS 28 -1.624 -2.027 5.795
209 HD2 HIS 28 2HD HIS 28 -2.895 -1.070 1.902
210 HE1 HIS 28 1HE HIS 28 -3.180 -0.043 6.047
211 H MET 29 H MET 29 -3.407 -4.209 0.924
212 HA MET 29 HA MET 29 -5.788 -2.969 1.768
213 HB2 MET 29 1HB MET 29 -5.504 -4.872 -0.587
214 HB3 MET 29 2HB MET 29 -6.774 -3.679 -0.333
215 HG2 MET 29 1HG MET 29 -4.430 -2.162 -0.099
216 HG3 MET 29 2HG MET 29 -4.043 -3.343 -1.339
217 HE1 MET 29 3HE MET 29 -7.181 0.011 -1.503
218 HE2 MET 29 1HE MET 29 -7.336 -1.337 -0.362
219 HE3 MET 29 2HE MET 29 -5.938 -0.241 -0.267
220 H LEU 30 H LEU 30 -4.919 -6.308 2.195
221 HA LEU 30 HA LEU 30 -7.476 -7.489 2.617
222 HB2 LEU 30 1HB LEU 30 -4.884 -8.090 4.094
223 HB3 LEU 30 2HB LEU 30 -6.266 -9.161 3.918
224 HG LEU 30 HG LEU 30 -4.425 -8.253 1.667
225 HD11 LEU 30 1HD1 LEU 30 -3.384 -9.840 3.248
226 HD12 LEU 30 2HD1 LEU 30 -3.656 -10.582 1.663
227 HD13 LEU 30 3HD1 LEU 30 -4.742 -10.963 3.018
228 HD21 LEU 30 3HD2 LEU 30 -5.546 -9.954 0.295
229 HD22 LEU 30 1HD2 LEU 30 -6.664 -8.671 0.772
230 HD23 LEU 30 2HD2 LEU 30 -6.721 -10.246 1.602
231 H VAL 31 H VAL 31 -5.579 -5.341 4.755
232 HA VAL 31 HA VAL 31 -7.003 -6.005 7.167
233 HB VAL 31 HB VAL 31 -5.971 -4.241 8.231
234 HG11 VAL 31 1HG1 VAL 31 -4.398 -5.968 7.507
235 HG12 VAL 31 2HG1 VAL 31 -3.961 -4.973 6.102
236 HG13 VAL 31 3HG1 VAL 31 -3.647 -4.379 7.737
237 HG21 VAL 31 3HG2 VAL 31 -4.756 -2.361 7.081
238 HG22 VAL 31 1HG2 VAL 31 -5.633 -2.797 5.600
239 HG23 VAL 31 2HG2 VAL 31 -6.515 -2.290 7.042
240 H HIS 32 H HIS 32 -7.823 -3.966 4.489
241 HA HIS 32 HA HIS 32 -9.990 -2.556 5.878
242 HB2 HIS 32 1HB HIS 32 -9.199 -2.592 2.944
243 HB3 HIS 32 2HB HIS 32 -10.318 -1.470 3.716
244 HD1 HIS 32 1HD HIS 32 -8.800 -0.412 6.160
245 HD2 HIS 32 2HD HIS 32 -7.023 -1.243 2.439
246 HE1 HIS 32 1HE HIS 32 -6.660 0.941 6.110
247 H GLY 33 H GLY 33 -9.707 -5.626 4.426
248 HA2 GLY 33 1HA GLY 33 -12.564 -5.947 3.753
249 HA3 GLY 33 2HA GLY 33 -11.302 -7.180 3.725
250 H ASP 34 H ASP 34 -10.758 -5.958 6.659
251 HA ASP 34 HA ASP 34 -12.048 -8.180 7.984
252 HB2 ASP 34 1HB ASP 34 -9.665 -7.403 8.246
253 HB3 ASP 34 2HB ASP 34 -10.278 -6.005 9.131
254 H LYS 35 H LYS 35 -13.960 -6.280 7.113
255 HA LYS 35 HA LYS 35 -14.912 -4.635 9.348
256 HB2 LYS 35 1HB LYS 35 -16.158 -5.315 6.648
257 HB3 LYS 35 2HB LYS 35 -16.794 -4.129 7.793
258 HG2 LYS 35 1HG LYS 35 -14.696 -2.813 7.619
259 HG3 LYS 35 2HG LYS 35 -14.074 -3.972 6.427
260 HD2 LYS 35 1HD LYS 35 -15.983 -3.463 4.926
261 HD3 LYS 35 2HD LYS 35 -16.610 -2.302 6.117
262 HE2 LYS 35 1HE LYS 35 -14.506 -0.988 5.932
263 HE3 LYS 35 2HE LYS 35 -13.891 -2.140 4.740
264 HZ1 LYS 35 3HZ LYS 35 -16.319 -0.461 4.384
265 HZ2 LYS 35 1HZ LYS 35 -15.749 -1.527 3.285
266 HZ3 LYS 35 2HZ LYS 35 -14.879 -0.201 3.663
267 H TRP 36 H TRP 36 -15.406 -7.900 8.506
268 HA TRP 36 HA TRP 36 -18.103 -8.179 9.642
269 HB2 TRP 36 1HB TRP 36 -17.808 -10.554 8.960
270 HB3 TRP 36 2HB TRP 36 -17.702 -9.384 7.659
271 HD1 TRP 36 1HD TRP 36 -15.396 -9.080 6.421
272 HE1 TRP 36 1HE TRP 36 -13.288 -10.519 6.237
273 HE3 TRP 36 3HE TRP 36 -16.270 -12.289 10.325
274 HZ2 TRP 36 2HZ TRP 36 -12.142 -12.807 7.578
275 HZ3 TRP 36 3HZ TRP 36 -14.653 -14.110 10.831
276 HH2 TRP 36 2HH TRP 36 -12.591 -14.378 9.469
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 14.540 2.042 -12.199
2 H2 GLY 1 2H GLY 1 15.132 1.396 -13.583
3 H3 GLY 1 3H GLY 1 14.063 2.635 -13.651
4 HA2 GLY 1 1HA GLY 1 16.284 3.436 -14.125
5 HA3 GLY 1 2HA GLY 1 15.625 4.150 -12.642
6 H SER 2 H SER 2 18.461 3.453 -13.646
7 HA SER 2 HA SER 2 19.431 1.402 -11.816
8 HB2 SER 2 1HB SER 2 21.621 1.934 -12.854
9 HB3 SER 2 2HB SER 2 20.351 1.551 -14.028
10 HG SER 2 HG SER 2 21.574 3.417 -14.624
11 H SER 3 H SER 3 18.867 4.737 -11.360
12 HA SER 3 HA SER 3 21.116 5.566 -9.905
13 HB2 SER 3 1HB SER 3 18.249 6.509 -9.543
14 HB3 SER 3 2HB SER 3 19.726 7.406 -9.140
15 HG SER 3 HG SER 3 18.869 8.037 -11.174
16 H GLY 4 H GLY 4 18.407 3.636 -8.721
17 HA2 GLY 4 1HA GLY 4 19.557 2.515 -6.532
18 HA3 GLY 4 2HA GLY 4 19.015 4.056 -5.871
19 H SER 5 H SER 5 18.058 1.892 -4.713
20 HA SER 5 HA SER 5 15.445 1.096 -5.804
21 HB2 SER 5 1HB SER 5 16.801 0.298 -3.208
22 HB3 SER 5 2HB SER 5 15.378 -0.467 -3.941
23 HG SER 5 HG SER 5 17.326 -1.596 -4.423
24 H SER 6 H SER 6 16.203 3.871 -4.382
25 HA SER 6 HA SER 6 14.549 4.124 -2.090
26 HB2 SER 6 1HB SER 6 15.476 6.298 -4.002
27 HB3 SER 6 2HB SER 6 14.984 6.517 -2.316
28 HG SER 6 HG SER 6 16.784 5.298 -1.667
29 H GLY 7 H GLY 7 12.716 5.526 -1.771
30 HA2 GLY 7 1HA GLY 7 10.753 6.677 -2.389
31 HA3 GLY 7 2HA GLY 7 10.910 6.120 -4.049
32 H LEU 8 H LEU 8 8.535 6.122 -3.144
33 HA LEU 8 HA LEU 8 7.790 3.266 -2.692
34 HB2 LEU 8 1HB LEU 8 6.262 5.733 -1.789
35 HB3 LEU 8 2HB LEU 8 5.736 4.059 -1.609
36 HG LEU 8 HG LEU 8 8.204 5.257 -0.268
37 HD11 LEU 8 1HD1 LEU 8 6.943 5.311 1.758
38 HD12 LEU 8 2HD1 LEU 8 5.570 4.481 1.010
39 HD13 LEU 8 3HD1 LEU 8 5.970 6.149 0.531
40 HD21 LEU 8 3HD2 LEU 8 8.135 3.198 1.117
41 HD22 LEU 8 1HD2 LEU 8 8.410 2.815 -0.588
42 HD23 LEU 8 2HD2 LEU 8 6.802 2.574 0.123
43 H LEU 9 H LEU 9 6.407 2.427 -4.060
44 HA LEU 9 HA LEU 9 5.793 3.993 -6.542
45 HB2 LEU 9 1HB LEU 9 6.461 1.073 -6.045
46 HB3 LEU 9 2HB LEU 9 5.943 1.706 -7.599
47 HG LEU 9 HG LEU 9 8.484 2.492 -6.097
48 HD11 LEU 9 1HD1 LEU 9 9.634 1.297 -7.908
49 HD12 LEU 9 2HD1 LEU 9 8.072 0.864 -8.639
50 HD13 LEU 9 3HD1 LEU 9 8.528 0.217 -7.049
51 HD21 LEU 9 3HD2 LEU 9 7.750 4.401 -7.444
52 HD22 LEU 9 1HD2 LEU 9 7.487 3.344 -8.852
53 HD23 LEU 9 2HD2 LEU 9 9.127 3.626 -8.225
54 H TYR 10 H TYR 10 4.258 1.967 -4.139
55 HA TYR 10 HA TYR 10 1.702 2.004 -5.706
56 HB2 TYR 10 1HB TYR 10 2.708 -0.141 -3.806
57 HB3 TYR 10 2HB TYR 10 1.186 -0.149 -4.668
58 HD1 TYR 10 1HD TYR 10 4.861 -0.435 -5.042
59 HD2 TYR 10 2HD TYR 10 1.054 -0.627 -7.062
60 HE1 TYR 10 1HE TYR 10 5.986 -1.324 -7.095
61 HE2 TYR 10 2HE TYR 10 2.166 -1.560 -9.079
62 HH TYR 10 HH TYR 10 4.154 -2.166 -10.055
63 H ASP 11 H ASP 11 -0.212 2.414 -4.658
64 HA ASP 11 HA ASP 11 -0.045 3.395 -1.852
65 HB2 ASP 11 1HB ASP 11 -1.205 5.376 -2.421
66 HB3 ASP 11 2HB ASP 11 0.183 5.241 -3.492
67 H CYS 12 H CYS 12 -1.755 3.317 -0.584
68 HA CYS 12 HA CYS 12 -3.948 1.450 -1.154
69 HB2 CYS 12 1HB CYS 12 -2.779 1.370 0.962
70 HB3 CYS 12 2HB CYS 12 -3.096 3.090 1.255
71 H HIS 13 H HIS 13 -5.961 2.006 -1.726
72 HA HIS 13 HA HIS 13 -6.681 4.858 -2.019
73 HB2 HIS 13 1HB HIS 13 -8.486 4.101 -3.426
74 HB3 HIS 13 2HB HIS 13 -6.940 3.471 -3.961
75 HD1 HIS 13 1HD HIS 13 -6.856 0.877 -4.329
76 HD2 HIS 13 2HD HIS 13 -10.165 2.258 -2.128
77 HE1 HIS 13 1HE HIS 13 -8.419 -1.120 -4.056
78 H ILE 14 H ILE 14 -6.895 2.814 0.528
79 HA ILE 14 HA ILE 14 -9.578 3.791 1.439
80 HB ILE 14 HB ILE 14 -7.822 1.720 2.726
81 HG12 ILE 14 1HG1 ILE 14 -8.494 0.870 0.530
82 HG13 ILE 14 2HG1 ILE 14 -9.219 -0.015 1.849
83 HG21 ILE 14 1HG2 ILE 14 -10.702 2.564 3.214
84 HG22 ILE 14 2HG2 ILE 14 -9.974 1.094 3.888
85 HG23 ILE 14 3HG2 ILE 14 -9.332 2.673 4.336
86 HD11 ILE 14 3HD1 ILE 14 -10.760 0.315 -0.003
87 HD12 ILE 14 1HD1 ILE 14 -11.368 1.053 1.488
88 HD13 ILE 14 2HD1 ILE 14 -10.665 2.081 0.208
89 H CYS 15 H CYS 15 -6.152 3.604 2.438
90 HA CYS 15 HA CYS 15 -6.605 5.794 4.403
91 HB2 CYS 15 1HB CYS 15 -5.359 4.728 6.043
92 HB3 CYS 15 2HB CYS 15 -6.647 3.670 5.502
93 H GLU 16 H GLU 16 -5.091 5.342 1.669
94 HA GLU 16 HA GLU 16 -3.468 6.482 0.567
95 HB2 GLU 16 1HB GLU 16 -4.024 8.236 2.948
96 HB3 GLU 16 2HB GLU 16 -2.819 8.722 1.739
97 HG2 GLU 16 1HG GLU 16 -4.537 8.501 -0.045
98 HG3 GLU 16 2HG GLU 16 -5.736 8.040 1.165
99 H ARG 17 H ARG 17 -2.565 4.690 3.098
100 HA ARG 17 HA ARG 17 0.251 5.222 3.365
101 HB2 ARG 17 1HB ARG 17 -1.436 2.710 3.707
102 HB3 ARG 17 2HB ARG 17 0.313 2.711 3.965
103 HG2 ARG 17 1HG ARG 17 0.125 4.462 5.676
104 HG3 ARG 17 2HG ARG 17 -1.626 4.539 5.415
105 HD2 ARG 17 1HD ARG 17 -1.789 2.129 6.042
106 HD3 ARG 17 2HD ARG 17 -0.057 2.096 6.342
107 HE ARG 17 HE ARG 17 -0.328 3.213 8.347
108 HH11 ARG 17 2HH1 ARG 17 -3.482 3.405 6.714
109 HH12 ARG 17 1HH1 ARG 17 -4.236 3.971 8.175
110 HH21 ARG 17 2HH2 ARG 17 -1.413 3.962 10.105
111 HH22 ARG 17 1HH2 ARG 17 -3.116 4.294 10.010
112 H LYS 18 H LYS 18 1.947 3.809 2.639
113 HA LYS 18 HA LYS 18 1.704 3.090 -0.246
114 HB2 LYS 18 1HB LYS 18 3.500 5.299 0.817
115 HB3 LYS 18 2HB LYS 18 3.603 4.600 -0.817
116 HG2 LYS 18 1HG LYS 18 1.223 5.239 -1.194
117 HG3 LYS 18 2HG LYS 18 1.232 6.056 0.385
118 HD2 LYS 18 1HD LYS 18 3.008 7.575 -0.370
119 HD3 LYS 18 2HD LYS 18 3.076 6.714 -1.928
120 HE2 LYS 18 1HE LYS 18 1.730 8.647 -2.272
121 HE3 LYS 18 2HE LYS 18 0.693 7.209 -2.303
122 HZ1 LYS 18 3HZ LYS 18 0.021 7.753 0.015
123 HZ2 LYS 18 1HZ LYS 18 -0.311 9.007 -0.981
124 HZ3 LYS 18 2HZ LYS 18 0.982 9.075 0.005
125 H PHE 19 H PHE 19 3.332 2.060 -1.242
126 HA PHE 19 HA PHE 19 5.247 0.559 0.513
127 HB2 PHE 19 1HB PHE 19 3.248 -0.668 -1.407
128 HB3 PHE 19 2HB PHE 19 4.355 -1.539 -0.371
129 HD1 PHE 19 1HD PHE 19 4.020 -1.640 2.098
130 HD2 PHE 19 2HD PHE 19 1.206 0.377 -0.468
131 HE1 PHE 19 1HE PHE 19 2.414 -1.476 3.986
132 HE2 PHE 19 2HE PHE 19 -0.384 0.580 1.436
133 HZ PHE 19 HZ PHE 19 0.229 -0.341 3.664
134 H LYS 20 H LYS 20 6.794 -0.754 -0.554
135 HA LYS 20 HA LYS 20 7.999 0.560 -2.861
136 HB2 LYS 20 1HB LYS 20 8.833 -1.847 -1.179
137 HB3 LYS 20 2HB LYS 20 9.785 -1.191 -2.514
138 HG2 LYS 20 1HG LYS 20 9.865 1.020 -1.362
139 HG3 LYS 20 2HG LYS 20 9.009 0.305 0.021
140 HD2 LYS 20 1HD LYS 20 10.882 -1.310 0.335
141 HD3 LYS 20 2HD LYS 20 11.689 -0.642 -1.088
142 HE2 LYS 20 1HE LYS 20 12.773 0.322 0.783
143 HE3 LYS 20 2HE LYS 20 11.794 1.594 0.048
144 HZ1 LYS 20 3HZ LYS 20 10.130 1.214 1.806
145 HZ2 LYS 20 1HZ LYS 20 11.577 1.554 2.475
146 HZ3 LYS 20 2HZ LYS 20 11.035 0.018 2.459
147 H ASN 21 H ASN 21 6.267 -2.512 -2.414
148 HA ASN 21 HA ASN 21 6.372 -2.896 -5.371
149 HB2 ASN 21 1HB ASN 21 6.455 -5.367 -4.975
150 HB3 ASN 21 2HB ASN 21 7.926 -4.531 -4.544
151 HD21 ASN 21 1HD2 ASN 21 8.564 -4.455 -2.344
152 HD22 ASN 21 2HD2 ASN 21 7.612 -5.232 -1.063
153 H GLU 22 H GLU 22 4.657 -4.108 -6.240
154 HA GLU 22 HA GLU 22 2.099 -3.175 -5.457
155 HB2 GLU 22 1HB GLU 22 2.916 -3.972 -7.761
156 HB3 GLU 22 2HB GLU 22 2.678 -5.618 -7.187
157 HG2 GLU 22 1HG GLU 22 0.279 -5.146 -6.808
158 HG3 GLU 22 2HG GLU 22 0.517 -3.462 -7.272
159 H LEU 23 H LEU 23 3.743 -6.240 -4.864
160 HA LEU 23 HA LEU 23 1.658 -7.740 -3.677
161 HB2 LEU 23 1HB LEU 23 3.666 -8.783 -4.421
162 HB3 LEU 23 2HB LEU 23 4.693 -7.758 -3.424
163 HG LEU 23 HG LEU 23 3.761 -8.856 -1.366
164 HD11 LEU 23 1HD1 LEU 23 2.334 -10.679 -3.355
165 HD12 LEU 23 2HD1 LEU 23 1.554 -9.580 -2.195
166 HD13 LEU 23 3HD1 LEU 23 2.479 -10.964 -1.606
167 HD21 LEU 23 3HD2 LEU 23 5.825 -9.688 -2.423
168 HD22 LEU 23 1HD2 LEU 23 4.871 -10.790 -3.441
169 HD23 LEU 23 2HD2 LEU 23 4.906 -11.003 -1.675
170 H ASP 24 H ASP 24 4.116 -5.661 -2.035
171 HA ASP 24 HA ASP 24 3.138 -6.077 0.571
172 HB2 ASP 24 1HB ASP 24 4.928 -4.021 -0.679
173 HB3 ASP 24 2HB ASP 24 4.310 -3.736 0.944
174 H ARG 25 H ARG 25 2.127 -3.703 -1.808
175 HA ARG 25 HA ARG 25 0.275 -2.335 0.022
176 HB2 ARG 25 1HB ARG 25 1.356 -1.308 -2.007
177 HB3 ARG 25 2HB ARG 25 0.394 -2.302 -3.026
178 HG2 ARG 25 1HG ARG 25 -0.798 -0.352 -0.964
179 HG3 ARG 25 2HG ARG 25 -0.342 0.132 -2.598
180 HD2 ARG 25 1HD ARG 25 -2.514 -1.793 -1.773
181 HD3 ARG 25 2HD ARG 25 -2.689 -0.234 -2.552
182 HE ARG 25 HE ARG 25 -1.399 -2.633 -3.768
183 HH11 ARG 25 2HH1 ARG 25 -2.828 0.498 -4.424
184 HH12 ARG 25 1HH1 ARG 25 -3.198 0.069 -6.077
185 HH21 ARG 25 2HH2 ARG 25 -2.171 -3.215 -5.705
186 HH22 ARG 25 1HH2 ARG 25 -2.731 -1.994 -6.844
187 H ASP 26 H ASP 26 -0.042 -4.843 -2.505
188 HA ASP 26 HA ASP 26 -2.848 -5.102 -2.349
189 HB2 ASP 26 1HB ASP 26 -0.606 -6.912 -3.277
190 HB3 ASP 26 2HB ASP 26 -2.238 -7.527 -3.166
191 H ARG 27 H ARG 27 -0.318 -6.863 -0.450
192 HA ARG 27 HA ARG 27 -2.330 -8.309 1.083
193 HB2 ARG 27 1HB ARG 27 -0.618 -9.095 2.494
194 HB3 ARG 27 2HB ARG 27 -0.149 -9.280 0.806
195 HG2 ARG 27 1HG ARG 27 1.456 -7.520 0.957
196 HG3 ARG 27 2HG ARG 27 0.835 -6.949 2.502
197 HD2 ARG 27 1HD ARG 27 1.511 -9.077 3.565
198 HD3 ARG 27 2HD ARG 27 2.085 -9.695 2.006
199 HE ARG 27 HE ARG 27 3.628 -7.468 2.248
200 HH11 ARG 27 2HH1 ARG 27 3.065 -10.036 4.590
201 HH12 ARG 27 1HH1 ARG 27 4.648 -9.828 5.286
202 HH21 ARG 27 2HH2 ARG 27 5.527 -7.301 3.100
203 HH22 ARG 27 1HH2 ARG 27 6.044 -8.288 4.470
204 H HIS 28 H HIS 28 -1.006 -5.105 1.461
205 HA HIS 28 HA HIS 28 -2.059 -4.732 4.161
206 HB2 HIS 28 1HB HIS 28 -0.337 -3.258 3.531
207 HB3 HIS 28 2HB HIS 28 -1.067 -2.877 1.979
208 HD1 HIS 28 1HD HIS 28 -1.586 -2.073 5.704
209 HD2 HIS 28 2HD HIS 28 -2.925 -1.013 1.861
210 HE1 HIS 28 1HE HIS 28 -3.065 -0.037 6.026
211 H MET 29 H MET 29 -3.521 -4.258 0.856
212 HA MET 29 HA MET 29 -5.874 -3.031 1.751
213 HB2 MET 29 1HB MET 29 -5.763 -5.108 -0.466
214 HB3 MET 29 2HB MET 29 -6.959 -3.838 -0.251
215 HG2 MET 29 1HG MET 29 -4.076 -3.563 -1.068
216 HG3 MET 29 2HG MET 29 -5.498 -3.146 -1.995
217 HE1 MET 29 3HE MET 29 -6.654 0.227 -0.540
218 HE2 MET 29 1HE MET 29 -6.884 -1.045 -1.759
219 HE3 MET 29 2HE MET 29 -7.307 -1.359 -0.060
220 H LEU 30 H LEU 30 -4.964 -6.355 2.259
221 HA LEU 30 HA LEU 30 -7.495 -7.529 2.833
222 HB2 LEU 30 1HB LEU 30 -4.807 -8.113 4.133
223 HB3 LEU 30 2HB LEU 30 -6.196 -9.178 4.085
224 HG LEU 30 HG LEU 30 -4.547 -8.311 1.669
225 HD11 LEU 30 1HD1 LEU 30 -3.778 -10.636 1.637
226 HD12 LEU 30 2HD1 LEU 30 -4.746 -10.997 3.086
227 HD13 LEU 30 3HD1 LEU 30 -3.375 -9.869 3.183
228 HD21 LEU 30 3HD2 LEU 30 -6.851 -10.291 1.842
229 HD22 LEU 30 1HD2 LEU 30 -5.793 -10.044 0.432
230 HD23 LEU 30 2HD2 LEU 30 -6.854 -8.739 0.972
231 H VAL 31 H VAL 31 -5.525 -5.312 4.797
232 HA VAL 31 HA VAL 31 -6.845 -5.908 7.303
233 HB VAL 31 HB VAL 31 -5.756 -4.140 8.268
234 HG11 VAL 31 1HG1 VAL 31 -3.834 -4.920 6.072
235 HG12 VAL 31 2HG1 VAL 31 -3.448 -4.308 7.685
236 HG13 VAL 31 3HG1 VAL 31 -4.218 -5.895 7.505
237 HG21 VAL 31 3HG2 VAL 31 -5.519 -2.749 5.602
238 HG22 VAL 31 1HG2 VAL 31 -6.328 -2.210 7.076
239 HG23 VAL 31 2HG2 VAL 31 -4.569 -2.296 7.031
240 H HIS 32 H HIS 32 -7.774 -4.036 4.579
241 HA HIS 32 HA HIS 32 -9.904 -2.555 5.995
242 HB2 HIS 32 1HB HIS 32 -9.097 -2.546 3.064
243 HB3 HIS 32 2HB HIS 32 -10.197 -1.422 3.857
244 HD1 HIS 32 1HD HIS 32 -8.625 -0.406 6.298
245 HD2 HIS 32 2HD HIS 32 -6.964 -1.167 2.510
246 HE1 HIS 32 1HE HIS 32 -6.520 1.001 6.183
247 H GLY 33 H GLY 33 -9.622 -5.586 4.426
248 HA2 GLY 33 1HA GLY 33 -12.355 -5.825 3.419
249 HA3 GLY 33 2HA GLY 33 -11.173 -7.119 3.608
250 H ASP 34 H ASP 34 -14.011 -7.154 4.291
251 HA ASP 34 HA ASP 34 -14.087 -7.237 7.244
252 HB2 ASP 34 1HB ASP 34 -16.442 -7.335 7.049
253 HB3 ASP 34 2HB ASP 34 -15.841 -6.027 6.036
254 H LYS 35 H LYS 35 -14.902 -9.421 4.573
255 HA LYS 35 HA LYS 35 -14.624 -11.816 6.338
256 HB2 LYS 35 1HB LYS 35 -16.773 -11.259 5.245
257 HB3 LYS 35 2HB LYS 35 -15.994 -11.330 3.661
258 HG2 LYS 35 1HG LYS 35 -15.568 -13.739 3.942
259 HG3 LYS 35 2HG LYS 35 -16.230 -13.677 5.598
260 HD2 LYS 35 1HD LYS 35 -18.407 -12.938 4.699
261 HD3 LYS 35 2HD LYS 35 -17.744 -12.950 3.052
262 HE2 LYS 35 1HE LYS 35 -17.306 -15.385 3.233
263 HE3 LYS 35 2HE LYS 35 -17.900 -15.386 4.896
264 HZ1 LYS 35 3HZ LYS 35 -19.552 -14.721 2.516
265 HZ2 LYS 35 1HZ LYS 35 -20.089 -14.740 4.059
266 HZ3 LYS 35 2HZ LYS 35 -19.615 -16.127 3.344
267 H TRP 36 H TRP 36 -13.150 -10.307 3.575
268 HA TRP 36 HA TRP 36 -11.676 -12.794 2.833
269 HB2 TRP 36 1HB TRP 36 -12.395 -10.468 1.044
270 HB3 TRP 36 2HB TRP 36 -11.692 -12.006 0.573
271 HD1 TRP 36 1HD TRP 36 -14.851 -10.273 0.651
272 HE1 TRP 36 1HE TRP 36 -16.869 -11.835 0.349
273 HE3 TRP 36 3HE TRP 36 -12.541 -14.751 1.566
274 HZ2 TRP 36 2HZ TRP 36 -17.406 -14.666 0.485
275 HZ3 TRP 36 3HZ TRP 36 -13.840 -16.868 1.495
276 HH2 TRP 36 2HH TRP 36 -16.265 -16.841 0.950