Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
7843 | 1l3y RC | 5338 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 HT1 GLU 1 45.681 6.441 -1.138
2 2H GLU 1 HT2 GLU 1 45.100 5.591 0.235
3 3H GLU 1 HT3 GLU 1 46.558 6.489 0.334
4 HA GLU 1 HA GLU 1 43.797 7.446 0.144
5 1HB GLU 1 HB2 GLU 1 46.088 7.572 2.058
6 2HB GLU 1 HB1 GLU 1 44.947 8.910 2.030
7 1HG GLU 1 HG2 GLU 1 43.679 6.282 2.118
8 2HG GLU 1 HG1 GLU 1 44.696 6.635 3.515
9 H CYS 2 HN CYS 2 47.140 8.158 -0.615
10 HA CYS 2 HA CYS 2 46.473 10.889 -1.401
11 1HB CYS 2 HB2 CYS 2 48.529 10.584 -0.138
12 2HB CYS 2 HB1 CYS 2 49.122 9.424 -1.319
13 H ASP 3 HN ASP 3 47.282 7.788 -2.776
14 HA ASP 3 HA ASP 3 46.544 8.785 -5.415
15 1HB ASP 3 HB2 ASP 3 49.264 7.857 -4.646
16 2HB ASP 3 HB1 ASP 3 48.642 7.292 -6.194
17 H THR 4 HN THR 4 46.571 6.880 -7.024
18 HA THR 4 HA THR 4 45.088 4.697 -5.809
19 HB THR 4 HB THR 4 44.499 4.061 -8.044
20 HG1 THR 4 HG1 THR 4 46.449 4.208 -9.092
21 1HG2 THR 4 HG21 THR 4 43.228 5.806 -8.644
22 2HG2 THR 4 HG22 THR 4 44.582 6.936 -8.634
23 3HG2 THR 4 HG23 THR 4 43.800 6.485 -7.119
24 H ILE 5 HN ILE 5 47.250 4.356 -4.670
25 HA ILE 5 HA ILE 5 48.568 2.116 -5.851
26 HB ILE 5 HB ILE 5 49.840 4.799 -5.506
27 1HG1 ILE 5 HG12 ILE 5 49.540 2.761 -7.555
28 2HG1 ILE 5 HG11 ILE 5 49.920 4.469 -7.717
29 1HG2 ILE 5 HG21 ILE 5 52.069 3.833 -5.254
30 2HG2 ILE 5 HG22 ILE 5 51.349 2.237 -5.052
31 3HG2 ILE 5 HG23 ILE 5 51.041 3.501 -3.861
32 1HD1 ILE 5 HD11 ILE 5 51.699 3.253 -8.688
33 2HD1 ILE 5 HD12 ILE 5 51.826 2.188 -7.288
34 3HD1 ILE 5 HD13 ILE 5 52.295 3.883 -7.153
35 H ASN 6 HN ASN 6 50.010 1.179 -4.144
36 HA ASN 6 HA ASN 6 49.547 2.125 -1.470
37 1HB ASN 6 HB2 ASN 6 47.992 0.642 -0.794
38 2HB ASN 6 HB1 ASN 6 47.611 0.583 -2.511
39 1HD2 ASN 6 HD21 ASN 6 49.547 -0.938 -3.559
40 2HD2 ASN 6 HD22 ASN 6 49.505 -2.534 -2.899
41 H CYS 7 HN CYS 7 50.811 1.145 0.112
42 HA CYS 7 HA CYS 7 53.379 0.793 -0.205
43 1HB CYS 7 HB2 CYS 7 51.808 -1.070 1.568
44 2HB CYS 7 HB1 CYS 7 53.504 -0.634 1.746
45 H GLU 8 HN GLU 8 54.859 -0.474 -1.004
46 HA GLU 8 HA GLU 8 54.036 -2.899 -2.423
47 1HB GLU 8 HB2 GLU 8 56.760 -1.641 -2.475
48 2HB GLU 8 HB1 GLU 8 56.062 -2.732 -3.650
49 1HG GLU 8 HG2 GLU 8 54.312 -0.710 -3.831
50 2HG GLU 8 HG1 GLU 8 55.754 0.184 -3.351
51 H ARG 9 HN ARG 9 54.185 -4.711 -1.272
52 HA ARG 9 HA ARG 9 56.011 -4.860 0.964
53 1HB ARG 9 HB2 ARG 9 54.111 -6.945 -0.068
54 2HB ARG 9 HB1 ARG 9 54.999 -7.023 1.439
55 1HG ARG 9 HG2 ARG 9 53.363 -5.950 2.470
56 2HG ARG 9 HG1 ARG 9 53.557 -4.578 1.379
57 1HD ARG 9 HD2 ARG 9 51.255 -5.618 1.460
58 2HD ARG 9 HD1 ARG 9 51.970 -5.437 -0.142
59 HE ARG 9 HE ARG 9 52.432 -8.005 1.082
60 1HH1 ARG 9 HH11 ARG 9 50.277 -6.109 -0.905
61 2HH1 ARG 9 HH12 ARG 9 49.569 -7.491 -1.672
62 1HH2 ARG 9 HH21 ARG 9 51.502 -9.821 0.074
63 2HH2 ARG 9 HH22 ARG 9 50.263 -9.598 -1.118
64 H TYR 10 HN TYR 10 57.826 -5.913 1.072
65 HA TYR 10 HA TYR 10 58.941 -6.980 -1.368
66 1HB TYR 10 HB2 TYR 10 61.093 -6.686 -0.345
67 2HB TYR 10 HB1 TYR 10 60.135 -5.261 -0.007
68 HD1 TYR 10 HD1 TYR 10 58.596 -5.772 2.255
69 HD2 TYR 10 HD2 TYR 10 62.474 -7.247 1.362
70 HE1 TYR 10 HE1 TYR 10 59.047 -5.967 4.628
71 HE2 TYR 10 HE2 TYR 10 62.943 -7.453 3.763
72 HH TYR 10 HH TYR 10 61.309 -5.979 6.099
73 H ASN 11 HN ASN 11 57.925 -8.056 1.685
74 HA ASN 11 HA ASN 11 58.215 -10.808 0.870
75 1HB ASN 11 HB2 ASN 11 59.807 -9.680 3.169
76 2HB ASN 11 HB1 ASN 11 59.436 -11.397 3.034
77 1HD2 ASN 11 HD21 ASN 11 59.956 -12.306 0.789
78 2HD2 ASN 11 HD22 ASN 11 61.493 -11.859 0.140
79 H GLY 12 HN GLY 12 58.088 -9.671 4.209
80 1HA GLY 12 HA2 GLY 12 55.265 -10.535 4.293
81 2HA GLY 12 HA1 GLY 12 56.410 -10.909 5.573
82 H GLN 13 HN GLN 13 57.257 -7.900 4.620
83 HA GLN 13 HA GLN 13 55.550 -6.678 6.673
84 1HB GLN 13 HB2 GLN 13 58.277 -5.850 5.645
85 2HB GLN 13 HB1 GLN 13 57.342 -4.937 6.813
86 1HG GLN 13 HG2 GLN 13 59.161 -6.375 7.765
87 2HG GLN 13 HG1 GLN 13 57.559 -6.591 8.462
88 1HE2 GLN 13 HE21 GLN 13 59.243 -7.892 5.621
89 2HE2 GLN 13 HE22 GLN 13 58.935 -9.549 5.986
90 H VAL 14 HN VAL 14 57.208 -4.360 4.932
91 HA VAL 14 HA VAL 14 55.554 -4.095 2.644
92 HB VAL 14 HB VAL 14 54.984 -1.677 4.119
93 1HG1 VAL 14 HG11 VAL 14 53.015 -3.708 3.119
94 2HG1 VAL 14 HG12 VAL 14 53.910 -2.636 2.041
95 3HG1 VAL 14 HG13 VAL 14 52.822 -1.960 3.253
96 1HG2 VAL 14 HG21 VAL 14 53.627 -4.070 5.323
97 2HG2 VAL 14 HG22 VAL 14 53.585 -2.391 5.861
98 3HG2 VAL 14 HG23 VAL 14 55.059 -3.339 6.046
99 H CYS 15 HN CYS 15 57.084 -3.358 1.328
100 HA CYS 15 HA CYS 15 58.595 -1.954 0.384
101 1HB CYS 15 HB2 CYS 15 57.409 -0.325 2.483
102 2HB CYS 15 HB1 CYS 15 59.075 0.108 2.163
103 H GLY 16 HN GLY 16 59.521 -4.127 1.959
104 1HA GLY 16 HA2 GLY 16 61.477 -4.885 2.904
105 2HA GLY 16 HA1 GLY 16 62.230 -3.465 2.238
106 H GLY 17 HN GLY 17 59.607 -3.657 4.571
107 1HA GLY 17 HA2 GLY 17 59.386 -2.944 6.729
108 2HA GLY 17 HA1 GLY 17 61.090 -3.302 6.930
109 HA PRO 18 HA PRO 18 59.914 1.438 6.491
110 1HB PRO 18 HB2 PRO 18 59.688 2.017 9.190
111 2HB PRO 18 HB1 PRO 18 58.329 1.799 8.082
112 1HG PRO 18 HG2 PRO 18 59.540 -0.143 10.004
113 2HG PRO 18 HG1 PRO 18 57.833 0.124 9.603
114 1HD PRO 18 HD2 PRO 18 59.196 -1.962 8.613
115 2HD PRO 18 HD1 PRO 18 57.971 -1.113 7.646
116 H GLY 19 HN GLY 19 61.803 -0.453 8.791
117 1HA GLY 19 HA2 GLY 19 63.647 1.427 9.642
118 2HA GLY 19 HA1 GLY 19 64.017 -0.275 9.397
119 H ARG 20 HN ARG 20 63.522 -0.327 6.596
120 HA ARG 20 HA ARG 20 65.958 0.996 5.680
121 1HB ARG 20 HB2 ARG 20 64.281 -1.158 4.383
122 2HB ARG 20 HB1 ARG 20 65.805 -0.540 3.765
123 1HG ARG 20 HG2 ARG 20 66.965 -1.912 5.053
124 2HG ARG 20 HG1 ARG 20 66.097 -1.392 6.495
125 1HD ARG 20 HD2 ARG 20 64.778 -3.260 4.578
126 2HD ARG 20 HD1 ARG 20 65.986 -3.881 5.703
127 HE ARG 20 HE ARG 20 63.907 -2.271 6.897
128 1HH1 ARG 20 HH11 ARG 20 64.946 -5.489 6.026
129 2HH1 ARG 20 HH12 ARG 20 63.921 -6.268 7.183
130 1HH2 ARG 20 HH21 ARG 20 62.559 -3.298 8.421
131 2HH2 ARG 20 HH22 ARG 20 62.566 -5.026 8.541
132 H GLY 21 HN GLY 21 62.529 0.632 4.811
133 1HA GLY 21 HA2 GLY 21 62.597 3.261 3.587
134 2HA GLY 21 HA1 GLY 21 62.258 1.942 2.484
135 H LEU 22 HN LEU 22 60.721 4.299 3.673
136 HA LEU 22 HA LEU 22 58.437 2.890 4.821
137 1HB LEU 22 HB2 LEU 22 59.576 5.594 5.006
138 2HB LEU 22 HB1 LEU 22 57.827 5.562 4.877
139 HG LEU 22 HG LEU 22 57.908 3.876 6.782
140 1HD1 LEU 22 HD11 LEU 22 60.643 5.084 7.099
141 2HD1 LEU 22 HD12 LEU 22 60.298 3.406 6.683
142 3HD1 LEU 22 HD13 LEU 22 59.835 4.035 8.265
143 1HD2 LEU 22 HD21 LEU 22 57.048 6.121 7.044
144 2HD2 LEU 22 HD22 LEU 22 58.685 6.742 7.252
145 3HD2 LEU 22 HD23 LEU 22 57.991 5.664 8.462
146 H CYS 23 HN CYS 23 56.478 2.826 3.879
147 HA CYS 23 HA CYS 23 56.291 3.582 1.080
148 1HB CYS 23 HB2 CYS 23 55.147 1.622 1.172
149 2HB CYS 23 HB1 CYS 23 54.875 1.759 2.903
150 H PHE 24 HN PHE 24 54.748 5.120 0.267
151 HA PHE 24 HA PHE 24 53.170 6.566 2.233
152 1HB PHE 24 HB2 PHE 24 55.564 7.756 0.872
153 2HB PHE 24 HB1 PHE 24 54.211 8.773 1.349
154 HD1 PHE 24 HD1 PHE 24 53.351 7.927 3.858
155 HD2 PHE 24 HD2 PHE 24 57.292 7.955 2.276
156 HE1 PHE 24 HE1 PHE 24 54.270 7.970 6.161
157 HE2 PHE 24 HE2 PHE 24 58.231 8.001 4.566
158 HZ PHE 24 HZ PHE 24 56.710 8.019 6.507
159 H CYS 25 HN CYS 25 52.471 8.688 1.055
160 HA CYS 25 HA CYS 25 50.403 8.324 -0.522
161 1HB CYS 25 HB2 CYS 25 50.677 10.492 0.095
162 2HB CYS 25 HB1 CYS 25 52.431 10.429 -0.120
163 H GLY 26 HN GLY 26 50.624 6.594 -1.976
164 1HA GLY 26 HA2 GLY 26 51.068 5.561 -3.968
165 2HA GLY 26 HA1 GLY 26 51.179 7.184 -4.627
166 H LYS 27 HN LYS 27 53.426 6.269 -2.132
167 HA LYS 27 HA LYS 27 55.442 5.399 -3.990
168 1HB LYS 27 HB2 LYS 27 55.578 8.097 -2.674
169 2HB LYS 27 HB1 LYS 27 57.016 7.273 -3.251
170 1HG LYS 27 HG2 LYS 27 54.658 8.067 -4.942
171 2HG LYS 27 HG1 LYS 27 56.203 8.911 -4.858
172 1HD LYS 27 HD2 LYS 27 57.179 6.566 -5.489
173 2HD LYS 27 HD1 LYS 27 55.547 6.273 -6.092
174 1HE LYS 27 HE2 LYS 27 56.069 8.735 -7.122
175 2HE LYS 27 HE1 LYS 27 57.672 8.000 -7.147
176 1HZ LYS 27 HZ1 LYS 27 55.929 7.692 -9.102
177 2HZ LYS 27 HZ2 LYS 27 55.467 6.377 -8.144
178 3HZ LYS 27 HZ3 LYS 27 57.060 6.498 -8.700
179 H CYS 28 HN CYS 28 57.713 5.834 -2.566
180 HA CYS 28 HA CYS 28 57.365 4.894 0.144
181 1HB CYS 28 HB2 CYS 28 57.291 2.850 -1.396
182 2HB CYS 28 HB1 CYS 28 58.976 3.195 -1.766
183 H ARG 29 HN ARG 29 58.581 6.449 1.048
184 HA ARG 29 HA ARG 29 61.010 7.383 -0.196
185 1HB ARG 29 HB2 ARG 29 59.248 8.263 1.995
186 2HB ARG 29 HB1 ARG 29 60.956 8.598 2.243
187 1HG ARG 29 HG2 ARG 29 60.807 10.366 0.927
188 2HG ARG 29 HG1 ARG 29 60.316 9.332 -0.417
189 1HD ARG 29 HD2 ARG 29 58.156 9.917 -0.237
190 2HD ARG 29 HD1 ARG 29 58.191 9.879 1.524
191 HE ARG 29 HE ARG 29 59.589 12.130 0.451
192 1HH1 ARG 29 HH11 ARG 29 56.425 10.910 1.277
193 2HH1 ARG 29 HH12 ARG 29 55.739 12.484 1.503
194 1HH2 ARG 29 HH21 ARG 29 58.689 14.202 0.749
195 2HH2 ARG 29 HH22 ARG 29 57.024 14.352 1.202
196 H CYS 30 HN CYS 30 62.483 5.772 -0.113
197 HA CYS 30 HA CYS 30 63.125 4.587 2.477
198 1HB CYS 30 HB2 CYS 30 64.844 3.627 0.382
199 2HB CYS 30 HB1 CYS 30 63.685 2.744 1.358
200 H HIS 31 HN HIS 31 65.482 4.281 2.971
201 HA HIS 31 HA HIS 31 66.772 6.873 2.823
202 1HB HIS 31 HB2 HIS 31 67.967 4.459 4.155
203 2HB HIS 31 HB1 HIS 31 68.136 6.158 4.584
204 HD1 HIS 31 HD1 HIS 31 64.994 6.719 4.586
205 HD2 HIS 31 HD2 HIS 31 66.966 3.677 6.617
206 HE1 HIS 31 HE1 HIS 31 63.477 6.089 6.491
207 HE2 HIS 31 HE2 HIS 31 64.659 4.198 7.664
208 HA PRO 32 HA PRO 32 69.754 6.067 -0.311
209 1HB PRO 32 HB2 PRO 32 71.912 6.999 1.461
210 2HB PRO 32 HB1 PRO 32 71.345 7.676 -0.067
211 1HG PRO 32 HG2 PRO 32 70.862 8.899 2.271
212 2HG PRO 32 HG1 PRO 32 69.686 8.924 0.944
213 1HD PRO 32 HD2 PRO 32 69.698 7.265 3.434
214 2HD PRO 32 HD1 PRO 32 68.337 8.055 2.609
215 H GLY 33 HN GLY 33 70.195 4.092 -0.773
216 1HA GLY 33 HA2 GLY 33 72.017 2.501 -0.783
217 2HA GLY 33 HA1 GLY 33 72.063 2.622 0.967
218 H PHE 34 HN PHE 34 69.042 2.490 -0.763
219 HA PHE 34 HA PHE 34 68.721 -0.339 -0.049
220 1HB PHE 34 HB2 PHE 34 66.829 1.915 0.632
221 2HB PHE 34 HB1 PHE 34 66.357 0.219 0.667
222 HD1 PHE 34 HD1 PHE 34 68.602 -1.122 1.865
223 HD2 PHE 34 HD2 PHE 34 66.930 2.679 2.796
224 HE1 PHE 34 HE1 PHE 34 69.461 -1.312 4.163
225 HE2 PHE 34 HE2 PHE 34 67.786 2.497 5.096
226 HZ PHE 34 HZ PHE 34 69.054 0.499 5.782
227 H GLU 35 HN GLU 35 67.201 -1.492 -1.316
228 HA GLU 35 HA GLU 35 65.863 -0.154 -3.491
229 1HB GLU 35 HB2 GLU 35 68.354 -1.730 -3.886
230 2HB GLU 35 HB1 GLU 35 67.062 -1.964 -5.056
231 1HG GLU 35 HG2 GLU 35 67.807 -0.176 -6.121
232 2HG GLU 35 HG1 GLU 35 67.262 0.794 -4.753
233 H GLY 36 HN GLY 36 66.992 -3.527 -3.397
234 1HA GLY 36 HA2 GLY 36 65.770 -5.490 -3.444
235 2HA GLY 36 HA1 GLY 36 64.873 -4.744 -2.123
236 H SER 37 HN SER 37 62.965 -5.828 -2.867
237 HA SER 37 HA SER 37 61.897 -5.182 -5.468
238 1HB SER 37 HB2 SER 37 61.413 -7.218 -3.710
239 2HB SER 37 HB1 SER 37 60.045 -6.158 -3.374
240 HG SER 37 HG SER 37 59.855 -7.804 -5.137
241 H ALA 38 HN ALA 38 62.249 -3.672 -2.542
242 HA ALA 38 HA ALA 38 60.367 -1.551 -3.226
243 1HB ALA 38 HB1 ALA 38 58.992 -2.227 -1.602
244 2HB ALA 38 HB2 ALA 38 60.236 -1.658 -0.487
245 3HB ALA 38 HB3 ALA 38 60.183 -3.357 -0.958
246 H CYS 39 HN CYS 39 62.171 -2.222 -0.281
247 HA CYS 39 HA CYS 39 64.316 -0.501 -0.996
248 1HB CYS 39 HB2 CYS 39 62.764 0.340 1.431
249 2HB CYS 39 HB1 CYS 39 64.042 1.207 0.599
250 H GLN 40 HN GLN 40 64.260 -3.198 -0.329
251 HA GLN 40 HA GLN 40 65.170 -3.346 2.450
252 1HB GLN 40 HB2 GLN 40 64.900 -5.712 2.297
253 2HB GLN 40 HB1 GLN 40 63.479 -4.971 1.575
254 1HG GLN 40 HG2 GLN 40 65.474 -5.418 -0.431
255 2HG GLN 40 HG1 GLN 40 65.166 -6.902 0.452
256 1HE2 GLN 40 HE21 GLN 40 62.926 -4.278 -0.237
257 2HE2 GLN 40 HE22 GLN 40 61.862 -5.205 -1.222
258 H ALA 41 HN ALA 41 66.375 -3.742 -0.821
259 HA ALA 41 HA ALA 41 68.951 -4.676 0.192
260 1HB ALA 41 HB1 ALA 41 69.241 -5.677 -1.788
261 2HB ALA 41 HB2 ALA 41 68.678 -4.273 -2.694
262 3HB ALA 41 HB3 ALA 41 67.512 -5.398 -1.999
Start of MODEL 2
1 1H GLU 1 HT1 GLU 1 49.624 13.131 -5.295
2 2H GLU 1 HT2 GLU 1 48.035 13.265 -5.927
3 3H GLU 1 HT3 GLU 1 49.386 13.651 -6.911
4 HA GLU 1 HA GLU 1 48.273 11.462 -7.287
5 1HB GLU 1 HB2 GLU 1 50.935 12.373 -7.408
6 2HB GLU 1 HB1 GLU 1 51.023 10.729 -6.790
7 1HG GLU 1 HG2 GLU 1 49.927 9.858 -8.700
8 2HG GLU 1 HG1 GLU 1 49.484 11.468 -9.260
9 H CYS 2 HN CYS 2 47.794 11.940 -4.456
10 HA CYS 2 HA CYS 2 48.787 9.452 -3.253
11 1HB CYS 2 HB2 CYS 2 47.256 11.248 -1.511
12 2HB CYS 2 HB1 CYS 2 48.822 10.496 -1.249
13 H ASP 3 HN ASP 3 47.466 7.762 -3.104
14 HA ASP 3 HA ASP 3 44.732 7.878 -2.430
15 1HB ASP 3 HB2 ASP 3 44.811 8.810 -4.830
16 2HB ASP 3 HB1 ASP 3 45.136 7.151 -5.317
17 H THR 4 HN THR 4 44.682 5.554 -4.679
18 HA THR 4 HA THR 4 45.311 3.470 -2.778
19 HB THR 4 HB THR 4 44.676 2.320 -5.277
20 HG1 THR 4 HG1 THR 4 42.732 3.433 -5.766
21 1HG2 THR 4 HG21 THR 4 43.726 2.205 -2.662
22 2HG2 THR 4 HG22 THR 4 43.246 1.195 -4.027
23 3HG2 THR 4 HG23 THR 4 42.338 2.660 -3.651
24 H ILE 5 HN ILE 5 47.503 3.469 -2.573
25 HA ILE 5 HA ILE 5 49.007 2.241 -4.693
26 HB ILE 5 HB ILE 5 50.765 3.881 -4.829
27 1HG1 ILE 5 HG12 ILE 5 50.955 5.096 -2.880
28 2HG1 ILE 5 HG11 ILE 5 50.103 6.256 -3.884
29 1HG2 ILE 5 HG21 ILE 5 48.135 5.265 -5.301
30 2HG2 ILE 5 HG22 ILE 5 48.811 4.021 -6.353
31 3HG2 ILE 5 HG23 ILE 5 49.660 5.551 -6.137
32 1HD1 ILE 5 HD11 ILE 5 47.987 5.493 -2.861
33 2HD1 ILE 5 HD12 ILE 5 49.103 6.265 -1.740
34 3HD1 ILE 5 HD13 ILE 5 48.931 4.511 -1.747
35 H ASN 6 HN ASN 6 48.945 0.672 -3.075
36 HA ASN 6 HA ASN 6 50.223 1.193 -0.558
37 1HB ASN 6 HB2 ASN 6 49.554 -1.044 -0.003
38 2HB ASN 6 HB1 ASN 6 48.225 -0.232 -0.824
39 1HD2 ASN 6 HD21 ASN 6 47.776 -0.754 -2.986
40 2HD2 ASN 6 HD22 ASN 6 48.244 -2.277 -3.652
41 H CYS 7 HN CYS 7 52.166 0.586 0.102
42 HA CYS 7 HA CYS 7 54.285 0.423 -1.642
43 1HB CYS 7 HB2 CYS 7 54.518 -0.879 1.043
44 2HB CYS 7 HB1 CYS 7 55.677 0.130 0.194
45 H GLU 8 HN GLU 8 55.841 -1.234 -2.031
46 HA GLU 8 HA GLU 8 54.611 -3.766 -2.728
47 1HB GLU 8 HB2 GLU 8 57.434 -2.762 -3.091
48 2HB GLU 8 HB1 GLU 8 56.805 -4.250 -3.764
49 1HG GLU 8 HG2 GLU 8 55.286 -1.825 -4.439
50 2HG GLU 8 HG1 GLU 8 56.921 -1.907 -5.095
51 H ARG 9 HN ARG 9 54.827 -5.600 -1.545
52 HA ARG 9 HA ARG 9 56.338 -5.417 0.914
53 1HB ARG 9 HB2 ARG 9 54.655 -7.678 -0.118
54 2HB ARG 9 HB1 ARG 9 55.398 -7.608 1.473
55 1HG ARG 9 HG2 ARG 9 54.059 -5.578 1.941
56 2HG ARG 9 HG1 ARG 9 53.249 -5.798 0.390
57 1HD ARG 9 HD2 ARG 9 53.151 -7.552 2.824
58 2HD ARG 9 HD1 ARG 9 51.815 -6.773 1.977
59 HE ARG 9 HE ARG 9 52.794 -8.425 0.099
60 1HH1 ARG 9 HH11 ARG 9 51.907 -8.947 3.435
61 2HH1 ARG 9 HH12 ARG 9 51.466 -10.602 3.187
62 1HH2 ARG 9 HH21 ARG 9 52.213 -10.601 -0.227
63 2HH2 ARG 9 HH22 ARG 9 51.639 -11.542 1.110
64 H TYR 10 HN TYR 10 58.152 -6.250 1.335
65 HA TYR 10 HA TYR 10 59.714 -7.461 -0.725
66 1HB TYR 10 HB2 TYR 10 61.619 -7.042 0.724
67 2HB TYR 10 HB1 TYR 10 60.611 -5.622 0.601
68 HD1 TYR 10 HD1 TYR 10 58.615 -5.774 2.507
69 HD2 TYR 10 HD2 TYR 10 62.557 -7.326 2.768
70 HE1 TYR 10 HE1 TYR 10 58.510 -5.576 4.914
71 HE2 TYR 10 HE2 TYR 10 62.462 -7.135 5.215
72 HH TYR 10 HH TYR 10 60.274 -5.331 6.843
73 H ASN 11 HN ASN 11 59.176 -8.315 2.617
74 HA ASN 11 HA ASN 11 58.887 -11.097 1.936
75 1HB ASN 11 HB2 ASN 11 60.740 -11.861 3.392
76 2HB ASN 11 HB1 ASN 11 61.303 -10.944 1.998
77 1HD2 ASN 11 HD21 ASN 11 63.106 -10.002 2.676
78 2HD2 ASN 11 HD22 ASN 11 63.247 -9.005 4.081
79 H GLY 12 HN GLY 12 56.954 -9.571 3.067
80 1HA GLY 12 HA2 GLY 12 55.687 -10.746 4.960
81 2HA GLY 12 HA1 GLY 12 57.048 -10.231 5.943
82 H GLN 13 HN GLN 13 57.455 -7.665 5.018
83 HA GLN 13 HA GLN 13 54.982 -6.345 5.909
84 1HB GLN 13 HB2 GLN 13 57.823 -5.278 5.929
85 2HB GLN 13 HB1 GLN 13 56.413 -4.420 6.514
86 1HG GLN 13 HG2 GLN 13 57.792 -5.415 8.306
87 2HG GLN 13 HG1 GLN 13 56.113 -5.948 8.313
88 1HE2 GLN 13 HE21 GLN 13 55.692 -8.062 8.251
89 2HE2 GLN 13 HE22 GLN 13 56.871 -9.305 8.026
90 H VAL 14 HN VAL 14 55.580 -3.762 4.985
91 HA VAL 14 HA VAL 14 55.455 -4.225 2.079
92 HB VAL 14 HB VAL 14 54.400 -1.640 2.844
93 1HG1 VAL 14 HG11 VAL 14 52.821 -2.126 1.274
94 2HG1 VAL 14 HG12 VAL 14 52.709 -3.822 1.745
95 3HG1 VAL 14 HG13 VAL 14 54.079 -3.260 0.786
96 1HG2 VAL 14 HG21 VAL 14 52.397 -2.375 4.027
97 2HG2 VAL 14 HG22 VAL 14 53.848 -2.726 4.965
98 3HG2 VAL 14 HG23 VAL 14 53.028 -4.021 4.094
99 H CYS 15 HN CYS 15 57.218 -3.649 1.102
100 HA CYS 15 HA CYS 15 58.879 -2.355 0.274
101 1HB CYS 15 HB2 CYS 15 57.182 -0.464 1.579
102 2HB CYS 15 HB1 CYS 15 58.856 -0.011 1.842
103 H GLY 16 HN GLY 16 59.557 -4.202 2.186
104 1HA GLY 16 HA2 GLY 16 61.231 -4.723 3.684
105 2HA GLY 16 HA1 GLY 16 62.096 -3.397 2.967
106 H GLY 17 HN GLY 17 59.027 -3.137 4.618
107 1HA GLY 17 HA2 GLY 17 58.369 -2.093 6.542
108 2HA GLY 17 HA1 GLY 17 59.949 -2.485 7.197
109 HA PRO 18 HA PRO 18 59.219 2.188 5.902
110 1HB PRO 18 HB2 PRO 18 58.722 3.105 8.481
111 2HB PRO 18 HB1 PRO 18 57.504 2.875 7.223
112 1HG PRO 18 HG2 PRO 18 58.254 1.077 9.488
113 2HG PRO 18 HG1 PRO 18 56.653 1.417 8.805
114 1HD PRO 18 HD2 PRO 18 57.947 -0.865 8.258
115 2HD PRO 18 HD1 PRO 18 56.968 -0.042 7.025
116 H GLY 19 HN GLY 19 60.750 0.396 8.484
117 1HA GLY 19 HA2 GLY 19 62.588 2.247 9.436
118 2HA GLY 19 HA1 GLY 19 62.879 0.516 9.345
119 H ARG 20 HN ARG 20 62.489 0.604 6.386
120 HA ARG 20 HA ARG 20 65.106 1.758 5.679
121 1HB ARG 20 HB2 ARG 20 63.770 -0.497 4.204
122 2HB ARG 20 HB1 ARG 20 65.453 -0.004 4.136
123 1HG ARG 20 HG2 ARG 20 64.043 -1.355 6.430
124 2HG ARG 20 HG1 ARG 20 65.264 -2.055 5.368
125 1HD ARG 20 HD2 ARG 20 66.094 0.416 6.710
126 2HD ARG 20 HD1 ARG 20 65.764 -0.932 7.798
127 HE ARG 20 HE ARG 20 67.406 -1.670 5.575
128 1HH1 ARG 20 HH11 ARG 20 67.427 -0.242 8.761
129 2HH1 ARG 20 HH12 ARG 20 69.081 -0.648 9.070
130 1HH2 ARG 20 HH21 ARG 20 69.584 -2.206 5.981
131 2HH2 ARG 20 HH22 ARG 20 70.306 -1.762 7.492
132 H GLY 21 HN GLY 21 61.919 0.910 4.340
133 1HA GLY 21 HA2 GLY 21 62.009 3.403 2.814
134 2HA GLY 21 HA1 GLY 21 61.686 1.912 1.951
135 H LEU 22 HN LEU 22 60.108 4.441 2.562
136 HA LEU 22 HA LEU 22 57.684 3.072 3.460
137 1HB LEU 22 HB2 LEU 22 58.424 4.319 5.336
138 2HB LEU 22 HB1 LEU 22 58.817 5.711 4.344
139 HG LEU 22 HG LEU 22 56.344 5.841 3.830
140 1HD1 LEU 22 HD11 LEU 22 56.073 3.469 4.874
141 2HD1 LEU 22 HD12 LEU 22 54.810 4.680 5.100
142 3HD1 LEU 22 HD13 LEU 22 55.967 4.361 6.391
143 1HD2 LEU 22 HD21 LEU 22 57.705 6.497 6.386
144 2HD2 LEU 22 HD22 LEU 22 55.965 6.761 6.283
145 3HD2 LEU 22 HD23 LEU 22 57.048 7.568 5.150
146 H CYS 23 HN CYS 23 55.980 3.368 2.137
147 HA CYS 23 HA CYS 23 56.244 5.385 0.025
148 1HB CYS 23 HB2 CYS 23 55.010 4.032 -1.404
149 2HB CYS 23 HB1 CYS 23 55.888 2.840 -0.455
150 H PHE 24 HN PHE 24 54.297 6.563 -0.679
151 HA PHE 24 HA PHE 24 52.108 6.553 1.217
152 1HB PHE 24 HB2 PHE 24 52.583 9.218 1.428
153 2HB PHE 24 HB1 PHE 24 53.045 8.020 2.626
154 HD1 PHE 24 HD1 PHE 24 54.954 8.892 3.561
155 HD2 PHE 24 HD2 PHE 24 54.632 8.717 -0.679
156 HE1 PHE 24 HE1 PHE 24 57.314 9.545 3.365
157 HE2 PHE 24 HE2 PHE 24 56.996 9.371 -0.882
158 HZ PHE 24 HZ PHE 24 58.339 9.784 1.143
159 H CYS 25 HN CYS 25 52.892 9.531 -0.361
160 HA CYS 25 HA CYS 25 50.432 9.465 -1.782
161 1HB CYS 25 HB2 CYS 25 51.224 11.513 -0.793
162 2HB CYS 25 HB1 CYS 25 52.701 11.453 -1.752
163 H GLY 26 HN GLY 26 51.159 7.435 -2.967
164 1HA GLY 26 HA2 GLY 26 51.214 6.766 -5.212
165 2HA GLY 26 HA1 GLY 26 51.948 8.298 -5.626
166 H LYS 27 HN LYS 27 53.872 7.325 -3.144
167 HA LYS 27 HA LYS 27 55.337 5.337 -4.633
168 1HB LYS 27 HB2 LYS 27 56.050 8.167 -4.690
169 2HB LYS 27 HB1 LYS 27 57.386 7.093 -4.303
170 1HG LYS 27 HG2 LYS 27 57.640 6.792 -6.487
171 2HG LYS 27 HG1 LYS 27 56.137 5.867 -6.453
172 1HD LYS 27 HD2 LYS 27 55.801 7.469 -8.130
173 2HD LYS 27 HD1 LYS 27 54.958 8.123 -6.724
174 1HE LYS 27 HE2 LYS 27 57.808 8.867 -7.198
175 2HE LYS 27 HE1 LYS 27 56.548 9.636 -8.160
176 1HZ LYS 27 HZ1 LYS 27 55.473 10.026 -5.843
177 2HZ LYS 27 HZ2 LYS 27 56.706 11.051 -6.383
178 3HZ LYS 27 HZ3 LYS 27 57.053 9.822 -5.273
179 H CYS 28 HN CYS 28 57.341 4.636 -3.709
180 HA CYS 28 HA CYS 28 57.264 4.698 -0.784
181 1HB CYS 28 HB2 CYS 28 57.095 2.480 -2.078
182 2HB CYS 28 HB1 CYS 28 58.804 2.709 -2.429
183 H ARG 29 HN ARG 29 58.464 6.368 -0.176
184 HA ARG 29 HA ARG 29 60.967 6.983 -1.466
185 1HB ARG 29 HB2 ARG 29 59.073 8.470 -0.113
186 2HB ARG 29 HB1 ARG 29 60.386 8.363 1.050
187 1HG ARG 29 HG2 ARG 29 60.447 9.524 -1.717
188 2HG ARG 29 HG1 ARG 29 60.737 10.341 -0.181
189 1HD ARG 29 HD2 ARG 29 62.588 8.239 -0.288
190 2HD ARG 29 HD1 ARG 29 62.589 8.957 -1.898
191 HE ARG 29 HE ARG 29 62.740 11.101 -0.243
192 1HH1 ARG 29 HH11 ARG 29 64.595 8.160 -0.554
193 2HH1 ARG 29 HH12 ARG 29 66.068 8.884 0.001
194 1HH2 ARG 29 HH21 ARG 29 64.675 12.053 0.486
195 2HH2 ARG 29 HH22 ARG 29 66.113 11.093 0.592
196 H CYS 30 HN CYS 30 62.375 5.362 -1.050
197 HA CYS 30 HA CYS 30 62.733 4.435 1.664
198 1HB CYS 30 HB2 CYS 30 64.678 3.506 -0.335
199 2HB CYS 30 HB1 CYS 30 63.747 2.600 0.840
200 H HIS 31 HN HIS 31 64.682 4.466 2.796
201 HA HIS 31 HA HIS 31 66.025 6.973 2.664
202 1HB HIS 31 HB2 HIS 31 67.166 4.718 4.255
203 2HB HIS 31 HB1 HIS 31 66.967 6.411 4.694
204 HD1 HIS 31 HD1 HIS 31 63.812 6.352 3.965
205 HD2 HIS 31 HD2 HIS 31 65.849 3.822 6.558
206 HE1 HIS 31 HE1 HIS 31 62.060 5.444 5.530
207 HE2 HIS 31 HE2 HIS 31 63.345 4.029 7.174
208 HA PRO 32 HA PRO 32 69.406 6.228 -0.036
209 1HB PRO 32 HB2 PRO 32 71.209 7.384 2.000
210 2HB PRO 32 HB1 PRO 32 70.901 7.910 0.344
211 1HG PRO 32 HG2 PRO 32 69.942 9.286 2.425
212 2HG PRO 32 HG1 PRO 32 69.005 9.102 0.931
213 1HD PRO 32 HD2 PRO 32 68.697 7.688 3.546
214 2HD PRO 32 HD1 PRO 32 67.451 8.281 2.427
215 H GLY 33 HN GLY 33 70.098 4.313 -0.380
216 1HA GLY 33 HA2 GLY 33 71.893 2.781 -0.129
217 2HA GLY 33 HA1 GLY 33 71.865 3.061 1.603
218 H PHE 34 HN PHE 34 69.229 2.288 -0.660
219 HA PHE 34 HA PHE 34 68.929 -0.336 0.574
220 1HB PHE 34 HB2 PHE 34 66.813 1.815 0.630
221 2HB PHE 34 HB1 PHE 34 66.441 0.108 0.850
222 HD1 PHE 34 HD1 PHE 34 68.729 -0.768 2.487
223 HD2 PHE 34 HD2 PHE 34 66.375 2.771 2.699
224 HE1 PHE 34 HE1 PHE 34 69.250 -0.571 4.882
225 HE2 PHE 34 HE2 PHE 34 66.892 2.973 5.097
226 HZ PHE 34 HZ PHE 34 68.332 1.302 6.190
227 H GLU 35 HN GLU 35 67.570 -1.783 -0.624
228 HA GLU 35 HA GLU 35 66.546 -0.939 -3.183
229 1HB GLU 35 HB2 GLU 35 69.172 -2.164 -2.948
230 2HB GLU 35 HB1 GLU 35 68.100 -3.121 -3.962
231 1HG GLU 35 HG2 GLU 35 67.755 -1.319 -5.453
232 2HG GLU 35 HG1 GLU 35 68.516 -0.173 -4.350
233 H GLY 36 HN GLY 36 67.695 -4.185 -2.294
234 1HA GLY 36 HA2 GLY 36 66.521 -6.173 -2.153
235 2HA GLY 36 HA1 GLY 36 65.462 -5.243 -1.095
236 H SER 37 HN SER 37 63.665 -6.494 -1.837
237 HA SER 37 HA SER 37 62.899 -6.330 -4.622
238 1HB SER 37 HB2 SER 37 61.970 -7.750 -2.227
239 2HB SER 37 HB1 SER 37 60.646 -7.132 -3.216
240 HG SER 37 HG SER 37 61.019 -8.751 -4.484
241 H ALA 38 HN ALA 38 62.888 -4.369 -1.971
242 HA ALA 38 HA ALA 38 61.025 -2.476 -3.163
243 1HB ALA 38 HB1 ALA 38 60.608 -2.218 -0.443
244 2HB ALA 38 HB2 ALA 38 60.592 -3.960 -0.722
245 3HB ALA 38 HB3 ALA 38 59.487 -2.912 -1.614
246 H CYS 39 HN CYS 39 62.505 -2.614 0.033
247 HA CYS 39 HA CYS 39 64.668 -0.936 -0.720
248 1HB CYS 39 HB2 CYS 39 62.992 0.262 1.435
249 2HB CYS 39 HB1 CYS 39 64.166 1.026 0.384
250 H GLN 40 HN GLN 40 64.596 -3.498 0.373
251 HA GLN 40 HA GLN 40 65.199 -3.158 3.215
252 1HB GLN 40 HB2 GLN 40 65.032 -5.526 3.427
253 2HB GLN 40 HB1 GLN 40 63.683 -4.992 2.435
254 1HG GLN 40 HG2 GLN 40 65.933 -5.655 0.779
255 2HG GLN 40 HG1 GLN 40 65.549 -6.988 1.856
256 1HE2 GLN 40 HE21 GLN 40 63.314 -4.633 0.514
257 2HE2 GLN 40 HE22 GLN 40 62.421 -5.755 -0.437
258 H ALA 41 HN ALA 41 66.800 -4.012 0.207
259 HA ALA 41 HA ALA 41 69.278 -4.571 1.661
260 1HB ALA 41 HB1 ALA 41 68.158 -5.851 -0.444
261 2HB ALA 41 HB2 ALA 41 69.874 -5.908 -0.038
262 3HB ALA 41 HB3 ALA 41 69.295 -4.784 -1.268
Start of MODEL 3
1 1H GLU 1 HT1 GLU 1 50.907 9.850 -6.170
2 2H GLU 1 HT2 GLU 1 50.730 11.030 -7.403
3 3H GLU 1 HT3 GLU 1 49.375 10.106 -6.894
4 HA GLU 1 HA GLU 1 50.872 11.852 -5.077
5 1HB GLU 1 HB2 GLU 1 49.006 12.509 -7.251
6 2HB GLU 1 HB1 GLU 1 48.550 13.185 -5.693
7 1HG GLU 1 HG2 GLU 1 50.825 14.160 -5.515
8 2HG GLU 1 HG1 GLU 1 51.148 13.590 -7.151
9 H CYS 2 HN CYS 2 50.392 9.869 -3.760
10 HA CYS 2 HA CYS 2 49.125 8.639 -2.301
11 1HB CYS 2 HB2 CYS 2 47.405 10.619 -1.239
12 2HB CYS 2 HB1 CYS 2 48.931 10.048 -0.578
13 H ASP 3 HN ASP 3 46.523 8.946 -1.336
14 HA ASP 3 HA ASP 3 44.305 8.645 -1.845
15 1HB ASP 3 HB2 ASP 3 44.717 10.417 -3.609
16 2HB ASP 3 HB1 ASP 3 44.945 9.099 -4.749
17 H THR 4 HN THR 4 44.309 7.465 -4.908
18 HA THR 4 HA THR 4 44.058 4.751 -3.969
19 HB THR 4 HB THR 4 43.585 4.362 -6.487
20 HG1 THR 4 HG1 THR 4 44.428 6.285 -7.279
21 1HG2 THR 4 HG21 THR 4 41.454 6.126 -5.923
22 2HG2 THR 4 HG22 THR 4 41.930 5.353 -4.410
23 3HG2 THR 4 HG23 THR 4 41.489 4.367 -5.805
24 H ILE 5 HN ILE 5 46.125 4.155 -3.400
25 HA ILE 5 HA ILE 5 47.827 3.300 -5.522
26 HB ILE 5 HB ILE 5 49.787 4.445 -4.886
27 1HG1 ILE 5 HG12 ILE 5 49.843 4.335 -2.540
28 2HG1 ILE 5 HG11 ILE 5 49.739 6.052 -2.883
29 1HG2 ILE 5 HG21 ILE 5 47.583 6.485 -4.652
30 2HG2 ILE 5 HG22 ILE 5 48.251 5.855 -6.159
31 3HG2 ILE 5 HG23 ILE 5 49.263 6.811 -5.075
32 1HD1 ILE 5 HD11 ILE 5 47.172 5.620 -2.610
33 2HD1 ILE 5 HD12 ILE 5 48.215 5.883 -1.216
34 3HD1 ILE 5 HD13 ILE 5 47.739 4.246 -1.662
35 H ASN 6 HN ASN 6 49.792 2.215 -4.220
36 HA ASN 6 HA ASN 6 48.970 1.294 -1.638
37 1HB ASN 6 HB2 ASN 6 48.283 -0.823 -2.140
38 2HB ASN 6 HB1 ASN 6 47.696 0.066 -3.541
39 1HD2 ASN 6 HD21 ASN 6 49.895 0.380 -5.042
40 2HD2 ASN 6 HD22 ASN 6 50.500 -1.149 -5.568
41 H CYS 7 HN CYS 7 50.599 0.644 -0.408
42 HA CYS 7 HA CYS 7 53.243 1.119 -1.181
43 1HB CYS 7 HB2 CYS 7 52.447 -0.663 1.114
44 2HB CYS 7 HB1 CYS 7 53.877 0.351 0.974
45 H GLU 8 HN GLU 8 54.914 -0.163 -1.800
46 HA GLU 8 HA GLU 8 54.235 -2.731 -2.955
47 1HB GLU 8 HB2 GLU 8 56.993 -1.534 -2.831
48 2HB GLU 8 HB1 GLU 8 56.346 -2.654 -4.018
49 1HG GLU 8 HG2 GLU 8 54.687 -0.533 -4.342
50 2HG GLU 8 HG1 GLU 8 56.193 0.269 -3.899
51 H ARG 9 HN ARG 9 54.567 -4.653 -1.987
52 HA ARG 9 HA ARG 9 56.118 -4.632 0.500
53 1HB ARG 9 HB2 ARG 9 54.147 -6.720 -0.403
54 2HB ARG 9 HB1 ARG 9 54.953 -6.636 1.160
55 1HG ARG 9 HG2 ARG 9 53.354 -5.342 1.959
56 2HG ARG 9 HG1 ARG 9 53.585 -4.173 0.658
57 1HD ARG 9 HD2 ARG 9 51.799 -6.600 0.664
58 2HD ARG 9 HD1 ARG 9 51.309 -4.909 0.603
59 HE ARG 9 HE ARG 9 52.975 -5.690 -1.598
60 1HH1 ARG 9 HH11 ARG 9 49.701 -5.598 -0.396
61 2HH1 ARG 9 HH12 ARG 9 48.988 -5.640 -1.973
62 1HH2 ARG 9 HH21 ARG 9 52.040 -5.747 -3.674
63 2HH2 ARG 9 HH22 ARG 9 50.315 -5.726 -3.834
64 H TYR 10 HN TYR 10 57.858 -5.743 0.761
65 HA TYR 10 HA TYR 10 58.936 -7.244 -1.478
66 1HB TYR 10 HB2 TYR 10 61.049 -6.963 -0.461
67 2HB TYR 10 HB1 TYR 10 60.197 -5.478 -0.107
68 HD1 TYR 10 HD1 TYR 10 58.688 -5.847 2.185
69 HD2 TYR 10 HD2 TYR 10 62.400 -7.654 1.198
70 HE1 TYR 10 HE1 TYR 10 59.209 -6.060 4.553
71 HE2 TYR 10 HE2 TYR 10 62.927 -7.878 3.584
72 HH TYR 10 HH TYR 10 61.565 -6.249 5.934
73 H ASN 11 HN ASN 11 60.616 -8.895 0.406
74 HA ASN 11 HA ASN 11 58.644 -11.006 0.728
75 1HB ASN 11 HB2 ASN 11 60.687 -12.415 1.218
76 2HB ASN 11 HB1 ASN 11 60.620 -11.701 -0.390
77 1HD2 ASN 11 HD21 ASN 11 62.254 -11.784 2.639
78 2HD2 ASN 11 HD22 ASN 11 63.573 -10.757 2.200
79 H GLY 12 HN GLY 12 57.574 -9.955 2.608
80 1HA GLY 12 HA2 GLY 12 57.643 -11.077 4.925
81 2HA GLY 12 HA1 GLY 12 59.159 -10.215 5.080
82 H GLN 13 HN GLN 13 58.020 -7.801 3.685
83 HA GLN 13 HA GLN 13 55.928 -6.918 5.495
84 1HB GLN 13 HB2 GLN 13 58.389 -5.214 5.358
85 2HB GLN 13 HB1 GLN 13 57.121 -5.208 6.570
86 1HG GLN 13 HG2 GLN 13 58.797 -7.643 6.386
87 2HG GLN 13 HG1 GLN 13 59.545 -6.185 7.020
88 1HE2 GLN 13 HE21 GLN 13 56.186 -7.187 7.366
89 2HE2 GLN 13 HE22 GLN 13 56.227 -7.357 9.083
90 H VAL 14 HN VAL 14 56.237 -4.180 5.052
91 HA VAL 14 HA VAL 14 55.695 -4.027 2.172
92 HB VAL 14 HB VAL 14 54.426 -1.981 2.651
93 1HG1 VAL 14 HG11 VAL 14 52.798 -3.255 4.414
94 2HG1 VAL 14 HG12 VAL 14 53.740 -4.601 3.774
95 3HG1 VAL 14 HG13 VAL 14 52.833 -3.560 2.677
96 1HG2 VAL 14 HG21 VAL 14 55.070 -0.856 4.482
97 2HG2 VAL 14 HG22 VAL 14 55.661 -2.308 5.287
98 3HG2 VAL 14 HG23 VAL 14 53.944 -1.911 5.335
99 H CYS 15 HN CYS 15 57.450 -3.384 1.110
100 HA CYS 15 HA CYS 15 58.962 -1.835 0.328
101 1HB CYS 15 HB2 CYS 15 57.578 -0.274 2.051
102 2HB CYS 15 HB1 CYS 15 59.160 -0.284 2.816
103 H GLY 16 HN GLY 16 59.742 -4.238 1.534
104 1HA GLY 16 HA2 GLY 16 61.631 -5.229 2.415
105 2HA GLY 16 HA1 GLY 16 62.455 -3.744 2.061
106 H GLY 17 HN GLY 17 59.665 -3.922 4.127
107 1HA GLY 17 HA2 GLY 17 59.380 -3.777 6.400
108 2HA GLY 17 HA1 GLY 17 61.084 -4.123 6.607
109 HA PRO 18 HA PRO 18 59.670 0.628 6.834
110 1HB PRO 18 HB2 PRO 18 59.400 -0.020 9.732
111 2HB PRO 18 HB1 PRO 18 58.484 1.124 8.746
112 1HG PRO 18 HG2 PRO 18 57.415 -1.206 9.450
113 2HG PRO 18 HG1 PRO 18 57.143 -0.535 7.830
114 1HD PRO 18 HD2 PRO 18 58.937 -2.762 8.685
115 2HD PRO 18 HD1 PRO 18 57.998 -2.577 7.190
116 H GLY 19 HN GLY 19 61.511 -1.523 8.949
117 1HA GLY 19 HA2 GLY 19 63.255 0.274 10.125
118 2HA GLY 19 HA1 GLY 19 63.668 -1.387 9.728
119 H ARG 20 HN ARG 20 63.129 -0.703 6.807
120 HA ARG 20 HA ARG 20 65.734 0.578 6.331
121 1HB ARG 20 HB2 ARG 20 64.204 -1.471 4.733
122 2HB ARG 20 HB1 ARG 20 65.605 -0.616 4.100
123 1HG ARG 20 HG2 ARG 20 66.960 -1.516 5.943
124 2HG ARG 20 HG1 ARG 20 65.553 -2.412 6.518
125 1HD ARG 20 HD2 ARG 20 66.289 -2.773 3.680
126 2HD ARG 20 HD1 ARG 20 67.395 -3.453 4.871
127 HE ARG 20 HE ARG 20 64.747 -4.378 4.231
128 1HH1 ARG 20 HH11 ARG 20 67.261 -4.329 6.653
129 2HH1 ARG 20 HH12 ARG 20 66.697 -5.762 7.445
130 1HH2 ARG 20 HH21 ARG 20 64.003 -6.260 5.276
131 2HH2 ARG 20 HH22 ARG 20 64.849 -6.857 6.665
132 H GLY 21 HN GLY 21 62.349 0.511 5.325
133 1HA GLY 21 HA2 GLY 21 62.436 3.250 4.555
134 2HA GLY 21 HA1 GLY 21 62.440 2.212 3.143
135 H LEU 22 HN LEU 22 60.472 4.143 4.408
136 HA LEU 22 HA LEU 22 58.176 2.461 4.963
137 1HB LEU 22 HB2 LEU 22 58.781 5.359 5.100
138 2HB LEU 22 HB1 LEU 22 57.116 4.806 5.100
139 HG LEU 22 HG LEU 22 57.592 4.977 7.308
140 1HD1 LEU 22 HD11 LEU 22 56.772 2.697 6.664
141 2HD1 LEU 22 HD12 LEU 22 57.518 2.833 8.256
142 3HD1 LEU 22 HD13 LEU 22 58.428 2.143 6.913
143 1HD2 LEU 22 HD21 LEU 22 59.831 5.521 7.460
144 2HD2 LEU 22 HD22 LEU 22 60.331 4.052 6.620
145 3HD2 LEU 22 HD23 LEU 22 59.753 3.964 8.285
146 H CYS 23 HN CYS 23 56.071 3.515 4.001
147 HA CYS 23 HA CYS 23 56.415 3.893 1.110
148 1HB CYS 23 HB2 CYS 23 54.448 2.616 0.664
149 2HB CYS 23 HB1 CYS 23 55.418 1.649 1.768
150 H PHE 24 HN PHE 24 55.097 5.592 0.166
151 HA PHE 24 HA PHE 24 53.348 6.928 2.120
152 1HB PHE 24 HB2 PHE 24 55.880 8.005 1.050
153 2HB PHE 24 HB1 PHE 24 54.524 9.125 1.122
154 HD1 PHE 24 HD1 PHE 24 57.292 8.164 2.801
155 HD2 PHE 24 HD2 PHE 24 53.133 8.742 3.466
156 HE1 PHE 24 HE1 PHE 24 57.733 8.461 5.211
157 HE2 PHE 24 HE2 PHE 24 53.560 9.044 5.880
158 HZ PHE 24 HZ PHE 24 55.860 8.910 6.750
159 H CYS 25 HN CYS 25 52.542 9.015 1.162
160 HA CYS 25 HA CYS 25 50.538 8.676 -0.572
161 1HB CYS 25 HB2 CYS 25 50.490 10.737 0.386
162 2HB CYS 25 HB1 CYS 25 52.243 10.916 0.322
163 H GLY 26 HN GLY 26 50.743 7.527 -2.439
164 1HA GLY 26 HA2 GLY 26 51.030 7.568 -4.775
165 2HA GLY 26 HA1 GLY 26 52.280 8.783 -4.578
166 H LYS 27 HN LYS 27 53.980 7.493 -2.749
167 HA LYS 27 HA LYS 27 54.613 4.884 -3.857
168 1HB LYS 27 HB2 LYS 27 56.366 7.283 -4.256
169 2HB LYS 27 HB1 LYS 27 56.949 5.633 -4.404
170 1HG LYS 27 HG2 LYS 27 55.442 5.219 -6.249
171 2HG LYS 27 HG1 LYS 27 54.723 6.820 -6.055
172 1HD LYS 27 HD2 LYS 27 57.663 6.517 -6.546
173 2HD LYS 27 HD1 LYS 27 56.518 6.457 -7.887
174 1HE LYS 27 HE2 LYS 27 57.020 8.721 -5.969
175 2HE LYS 27 HE1 LYS 27 57.247 8.707 -7.718
176 1HZ LYS 27 HZ1 LYS 27 55.261 9.839 -7.418
177 2HZ LYS 27 HZ2 LYS 27 54.724 8.808 -6.188
178 3HZ LYS 27 HZ3 LYS 27 54.743 8.272 -7.792
179 H CYS 28 HN CYS 28 56.942 4.268 -3.068
180 HA CYS 28 HA CYS 28 56.842 4.400 -0.189
181 1HB CYS 28 HB2 CYS 28 57.813 2.559 -2.143
182 2HB CYS 28 HB1 CYS 28 59.157 3.006 -1.100
183 H ARG 29 HN ARG 29 58.795 4.828 1.087
184 HA ARG 29 HA ARG 29 60.720 6.628 -0.185
185 1HB ARG 29 HB2 ARG 29 58.607 7.662 1.181
186 2HB ARG 29 HB1 ARG 29 59.785 7.500 2.475
187 1HG ARG 29 HG2 ARG 29 60.820 9.336 1.807
188 2HG ARG 29 HG1 ARG 29 61.063 8.647 0.202
189 1HD ARG 29 HD2 ARG 29 58.348 9.636 0.778
190 2HD ARG 29 HD1 ARG 29 59.609 10.865 0.680
191 HE ARG 29 HE ARG 29 59.625 8.989 -1.503
192 1HH1 ARG 29 HH11 ARG 29 58.310 11.997 -0.316
193 2HH1 ARG 29 HH12 ARG 29 57.943 12.603 -1.896
194 1HH2 ARG 29 HH21 ARG 29 59.142 9.786 -3.580
195 2HH2 ARG 29 HH22 ARG 29 58.415 11.349 -3.748
196 H CYS 30 HN CYS 30 62.402 5.194 0.087
197 HA CYS 30 HA CYS 30 62.943 4.232 2.804
198 1HB CYS 30 HB2 CYS 30 64.762 2.877 1.578
199 2HB CYS 30 HB1 CYS 30 63.088 2.403 1.349
200 H HIS 31 HN HIS 31 65.200 4.250 3.550
201 HA HIS 31 HA HIS 31 66.271 6.860 3.484
202 1HB HIS 31 HB2 HIS 31 67.858 4.443 4.321
203 2HB HIS 31 HB1 HIS 31 67.918 6.077 4.972
204 HD1 HIS 31 HD1 HIS 31 64.724 6.249 5.301
205 HD2 HIS 31 HD2 HIS 31 67.236 3.285 6.777
206 HE1 HIS 31 HE1 HIS 31 63.492 5.227 7.240
207 HE2 HIS 31 HE2 HIS 31 64.996 3.382 8.066
208 HA PRO 32 HA PRO 32 68.944 6.935 -0.006
209 1HB PRO 32 HB2 PRO 32 71.138 7.953 1.674
210 2HB PRO 32 HB1 PRO 32 70.325 8.719 0.307
211 1HG PRO 32 HG2 PRO 32 69.924 9.568 2.818
212 2HG PRO 32 HG1 PRO 32 68.618 9.561 1.618
213 1HD PRO 32 HD2 PRO 32 69.146 7.644 3.854
214 2HD PRO 32 HD1 PRO 32 67.601 8.303 3.273
215 H GLY 33 HN GLY 33 69.552 5.094 -0.754
216 1HA GLY 33 HA2 GLY 33 71.479 3.760 -1.234
217 2HA GLY 33 HA1 GLY 33 71.887 3.795 0.472
218 H PHE 34 HN PHE 34 68.651 3.213 -0.790
219 HA PHE 34 HA PHE 34 68.897 0.405 0.061
220 1HB PHE 34 HB2 PHE 34 66.828 2.435 0.760
221 2HB PHE 34 HB1 PHE 34 66.326 0.760 0.576
222 HD1 PHE 34 HD1 PHE 34 67.579 3.162 2.813
223 HD2 PHE 34 HD2 PHE 34 67.763 -0.987 1.884
224 HE1 PHE 34 HE1 PHE 34 68.335 2.686 5.107
225 HE2 PHE 34 HE2 PHE 34 68.519 -1.471 4.176
226 HZ PHE 34 HZ PHE 34 68.805 0.367 5.790
227 H GLU 35 HN GLU 35 67.628 -1.108 -1.036
228 HA GLU 35 HA GLU 35 66.027 -0.314 -3.294
229 1HB GLU 35 HB2 GLU 35 68.550 -1.931 -3.751
230 2HB GLU 35 HB1 GLU 35 67.359 -1.507 -4.971
231 1HG GLU 35 HG2 GLU 35 67.893 0.909 -4.467
232 2HG GLU 35 HG1 GLU 35 69.263 0.312 -3.533
233 H GLY 36 HN GLY 36 66.327 -2.999 -4.569
234 1HA GLY 36 HA2 GLY 36 65.986 -5.308 -3.824
235 2HA GLY 36 HA1 GLY 36 65.158 -4.649 -2.412
236 H SER 37 HN SER 37 63.406 -6.141 -3.041
237 HA SER 37 HA SER 37 61.961 -5.787 -5.451
238 1HB SER 37 HB2 SER 37 60.879 -6.701 -2.767
239 2HB SER 37 HB1 SER 37 60.148 -6.989 -4.345
240 HG SER 37 HG SER 37 62.745 -7.897 -3.683
241 H ALA 38 HN ALA 38 62.329 -4.054 -2.579
242 HA ALA 38 HA ALA 38 60.472 -1.979 -3.451
243 1HB ALA 38 HB1 ALA 38 59.078 -2.543 -1.795
244 2HB ALA 38 HB2 ALA 38 60.305 -1.864 -0.725
245 3HB ALA 38 HB3 ALA 38 60.271 -3.599 -1.038
246 H CYS 39 HN CYS 39 62.235 -2.430 -0.447
247 HA CYS 39 HA CYS 39 64.415 -0.824 -1.268
248 1HB CYS 39 HB2 CYS 39 62.294 0.313 0.495
249 2HB CYS 39 HB1 CYS 39 63.968 0.809 0.719
250 H GLN 40 HN GLN 40 64.233 -3.428 -0.313
251 HA GLN 40 HA GLN 40 64.956 -3.469 2.487
252 1HB GLN 40 HB2 GLN 40 65.043 -5.876 2.230
253 2HB GLN 40 HB1 GLN 40 63.577 -5.256 1.479
254 1HG GLN 40 HG2 GLN 40 65.533 -5.268 -0.528
255 2HG GLN 40 HG1 GLN 40 65.694 -6.798 0.323
256 1HE2 GLN 40 HE21 GLN 40 63.013 -4.706 -0.670
257 2HE2 GLN 40 HE22 GLN 40 62.108 -5.952 -1.440
258 H ALA 41 HN ALA 41 66.567 -3.664 -0.614
259 HA ALA 41 HA ALA 41 69.075 -4.523 0.536
260 1HB ALA 41 HB1 ALA 41 68.587 -3.558 -2.273
261 2HB ALA 41 HB2 ALA 41 68.247 -5.203 -1.736
262 3HB ALA 41 HB3 ALA 41 69.898 -4.585 -1.689
Start of MODEL 4
1 1H GLU 1 HT1 GLU 1 47.056 10.923 2.125
2 2H GLU 1 HT2 GLU 1 48.062 9.611 1.665
3 3H GLU 1 HT3 GLU 1 46.529 9.312 2.376
4 HA GLU 1 HA GLU 1 46.269 8.918 0.132
5 1HB GLU 1 HB2 GLU 1 45.188 11.426 1.288
6 2HB GLU 1 HB1 GLU 1 44.971 11.212 -0.444
7 1HG GLU 1 HG2 GLU 1 43.029 10.379 0.622
8 2HG GLU 1 HG1 GLU 1 43.945 8.989 0.042
9 H CYS 2 HN CYS 2 46.720 9.332 -2.027
10 HA CYS 2 HA CYS 2 47.918 11.657 -3.029
11 1HB CYS 2 HB2 CYS 2 49.837 10.996 -1.653
12 2HB CYS 2 HB1 CYS 2 49.879 9.426 -2.446
13 H ASP 3 HN ASP 3 47.584 8.156 -3.306
14 HA ASP 3 HA ASP 3 46.780 8.463 -6.081
15 1HB ASP 3 HB2 ASP 3 48.830 6.340 -5.625
16 2HB ASP 3 HB1 ASP 3 48.458 7.238 -7.092
17 H THR 4 HN THR 4 45.952 6.424 -6.997
18 HA THR 4 HA THR 4 44.517 4.892 -4.978
19 HB THR 4 HB THR 4 43.248 3.970 -6.806
20 HG1 THR 4 HG1 THR 4 44.233 3.611 -8.602
21 1HG2 THR 4 HG21 THR 4 42.158 5.798 -7.608
22 2HG2 THR 4 HG22 THR 4 43.645 6.697 -7.904
23 3HG2 THR 4 HG23 THR 4 43.029 6.527 -6.260
24 H ILE 5 HN ILE 5 46.811 4.320 -4.334
25 HA ILE 5 HA ILE 5 47.445 1.683 -5.250
26 HB ILE 5 HB ILE 5 49.192 4.101 -5.682
27 1HG1 ILE 5 HG12 ILE 5 47.878 2.135 -7.322
28 2HG1 ILE 5 HG11 ILE 5 48.702 3.610 -7.808
29 1HG2 ILE 5 HG21 ILE 5 51.175 2.729 -5.882
30 2HG2 ILE 5 HG22 ILE 5 50.262 1.310 -5.369
31 3HG2 ILE 5 HG23 ILE 5 50.512 2.649 -4.252
32 1HD1 ILE 5 HD11 ILE 5 50.794 2.434 -7.966
33 2HD1 ILE 5 HD12 ILE 5 49.569 1.579 -8.902
34 3HD1 ILE 5 HD13 ILE 5 50.058 0.968 -7.321
35 H ASN 6 HN ASN 6 49.266 0.910 -3.715
36 HA ASN 6 HA ASN 6 49.437 2.443 -1.288
37 1HB ASN 6 HB2 ASN 6 47.977 1.316 -0.020
38 2HB ASN 6 HB1 ASN 6 47.268 0.872 -1.567
39 1HD2 ASN 6 HD21 ASN 6 48.904 -1.016 -2.522
40 2HD2 ASN 6 HD22 ASN 6 48.936 -2.393 -1.480
41 H CYS 7 HN CYS 7 50.713 1.420 0.378
42 HA CYS 7 HA CYS 7 53.210 1.038 0.074
43 1HB CYS 7 HB2 CYS 7 51.819 -1.123 1.628
44 2HB CYS 7 HB1 CYS 7 53.384 -0.390 1.950
45 H GLU 8 HN GLU 8 54.767 -0.171 -0.739
46 HA GLU 8 HA GLU 8 54.030 -2.426 -2.457
47 1HB GLU 8 HB2 GLU 8 56.745 -1.133 -2.197
48 2HB GLU 8 HB1 GLU 8 56.163 -2.144 -3.507
49 1HG GLU 8 HG2 GLU 8 54.512 -0.361 -4.060
50 2HG GLU 8 HG1 GLU 8 55.291 0.658 -2.850
51 H ARG 9 HN ARG 9 54.478 -4.491 -1.855
52 HA ARG 9 HA ARG 9 56.119 -4.813 0.549
53 1HB ARG 9 HB2 ARG 9 54.224 -6.819 -0.642
54 2HB ARG 9 HB1 ARG 9 55.092 -6.965 0.884
55 1HG ARG 9 HG2 ARG 9 53.828 -5.218 1.864
56 2HG ARG 9 HG1 ARG 9 53.108 -4.781 0.314
57 1HD ARG 9 HD2 ARG 9 52.704 -7.408 1.740
58 2HD ARG 9 HD1 ARG 9 51.570 -6.060 1.764
59 HE ARG 9 HE ARG 9 50.964 -6.542 -0.420
60 1HH1 ARG 9 HH11 ARG 9 53.625 -8.579 0.574
61 2HH1 ARG 9 HH12 ARG 9 53.452 -9.663 -0.764
62 1HH2 ARG 9 HH21 ARG 9 50.744 -7.969 -2.176
63 2HH2 ARG 9 HH22 ARG 9 51.822 -9.317 -2.324
64 H TYR 10 HN TYR 10 57.923 -5.801 0.558
65 HA TYR 10 HA TYR 10 59.024 -6.802 -1.920
66 1HB TYR 10 HB2 TYR 10 61.162 -6.470 -0.959
67 2HB TYR 10 HB1 TYR 10 60.192 -5.117 -0.410
68 HD1 TYR 10 HD1 TYR 10 58.726 -6.071 1.817
69 HD2 TYR 10 HD2 TYR 10 62.681 -7.058 0.639
70 HE1 TYR 10 HE1 TYR 10 59.258 -6.588 4.127
71 HE2 TYR 10 HE2 TYR 10 63.242 -7.578 2.967
72 HH TYR 10 HH TYR 10 61.858 -6.628 5.464
73 H ASN 11 HN ASN 11 58.166 -7.880 1.198
74 HA ASN 11 HA ASN 11 58.247 -10.639 0.378
75 1HB ASN 11 HB2 ASN 11 60.320 -9.480 2.128
76 2HB ASN 11 HB1 ASN 11 59.590 -10.966 2.728
77 1HD2 ASN 11 HD21 ASN 11 61.977 -11.489 2.363
78 2HD2 ASN 11 HD22 ASN 11 62.364 -12.199 0.836
79 H GLY 12 HN GLY 12 58.467 -9.281 3.645
80 1HA GLY 12 HA2 GLY 12 55.606 -9.693 4.057
81 2HA GLY 12 HA1 GLY 12 56.694 -10.679 5.020
82 H GLN 13 HN GLN 13 57.544 -7.425 4.131
83 HA GLN 13 HA GLN 13 56.798 -6.448 6.801
84 1HB GLN 13 HB2 GLN 13 59.482 -5.811 5.574
85 2HB GLN 13 HB1 GLN 13 58.931 -5.474 7.212
86 1HG GLN 13 HG2 GLN 13 59.146 -8.291 6.229
87 2HG GLN 13 HG1 GLN 13 60.557 -7.425 6.831
88 1HE2 GLN 13 HE21 GLN 13 58.173 -9.489 7.683
89 2HE2 GLN 13 HE22 GLN 13 58.114 -9.191 9.383
90 H VAL 14 HN VAL 14 56.184 -6.104 3.746
91 HA VAL 14 HA VAL 14 55.716 -4.440 2.272
92 HB VAL 14 HB VAL 14 53.786 -4.108 3.550
93 1HG1 VAL 14 HG11 VAL 14 53.718 -2.893 5.682
94 2HG1 VAL 14 HG12 VAL 14 55.471 -2.722 5.630
95 3HG1 VAL 14 HG13 VAL 14 54.745 -4.323 5.766
96 1HG2 VAL 14 HG21 VAL 14 55.050 -1.378 3.560
97 2HG2 VAL 14 HG22 VAL 14 53.334 -1.770 3.448
98 3HG2 VAL 14 HG23 VAL 14 54.419 -2.170 2.115
99 H CYS 15 HN CYS 15 57.344 -3.507 1.270
100 HA CYS 15 HA CYS 15 58.705 -1.796 0.634
101 1HB CYS 15 HB2 CYS 15 57.916 -0.681 3.302
102 2HB CYS 15 HB1 CYS 15 59.069 0.130 2.260
103 H GLY 16 HN GLY 16 59.743 -4.177 1.724
104 1HA GLY 16 HA2 GLY 16 61.630 -5.051 2.709
105 2HA GLY 16 HA1 GLY 16 62.404 -3.698 1.929
106 H GLY 17 HN GLY 17 60.242 -4.067 4.741
107 1HA GLY 17 HA2 GLY 17 60.619 -3.629 6.977
108 2HA GLY 17 HA1 GLY 17 62.307 -3.340 6.603
109 HA PRO 18 HA PRO 18 59.797 0.719 7.031
110 1HB PRO 18 HB2 PRO 18 59.519 1.116 9.669
111 2HB PRO 18 HB1 PRO 18 58.347 0.169 8.744
112 1HG PRO 18 HG2 PRO 18 60.587 -0.772 10.492
113 2HG PRO 18 HG1 PRO 18 58.928 -1.388 10.370
114 1HD PRO 18 HD2 PRO 18 61.082 -2.545 9.132
115 2HD PRO 18 HD1 PRO 18 59.416 -2.677 8.542
116 H GLY 19 HN GLY 19 62.332 -0.521 9.175
117 1HA GLY 19 HA2 GLY 19 63.516 1.879 9.932
118 2HA GLY 19 HA1 GLY 19 64.365 0.349 9.783
119 H ARG 20 HN ARG 20 63.533 0.351 6.839
120 HA ARG 20 HA ARG 20 65.788 1.990 5.937
121 1HB ARG 20 HB2 ARG 20 64.314 -0.074 4.313
122 2HB ARG 20 HB1 ARG 20 65.930 0.563 4.045
123 1HG ARG 20 HG2 ARG 20 66.334 -0.484 6.446
124 2HG ARG 20 HG1 ARG 20 64.996 -1.515 5.938
125 1HD ARG 20 HD2 ARG 20 66.784 -1.314 3.756
126 2HD ARG 20 HD1 ARG 20 67.748 -1.645 5.195
127 HE ARG 20 HE ARG 20 66.031 -3.455 3.847
128 1HH1 ARG 20 HH11 ARG 20 67.151 -2.568 7.030
129 2HH1 ARG 20 HH12 ARG 20 66.909 -4.149 7.692
130 1HH2 ARG 20 HH21 ARG 20 65.711 -5.536 4.716
131 2HH2 ARG 20 HH22 ARG 20 66.092 -5.834 6.379
132 H GLY 21 HN GLY 21 62.349 1.547 5.552
133 1HA GLY 21 HA2 GLY 21 61.945 4.167 4.575
134 2HA GLY 21 HA1 GLY 21 61.870 3.027 3.237
135 H LEU 22 HN LEU 22 59.667 4.630 4.110
136 HA LEU 22 HA LEU 22 57.971 2.635 5.405
137 1HB LEU 22 HB2 LEU 22 56.814 5.298 4.974
138 2HB LEU 22 HB1 LEU 22 56.741 4.251 6.380
139 HG LEU 22 HG LEU 22 59.202 5.716 5.631
140 1HD1 LEU 22 HD11 LEU 22 57.780 7.526 5.868
141 2HD1 LEU 22 HD12 LEU 22 58.412 7.323 7.502
142 3HD1 LEU 22 HD13 LEU 22 56.807 6.716 7.096
143 1HD2 LEU 22 HD21 LEU 22 59.822 4.194 7.219
144 2HD2 LEU 22 HD22 LEU 22 58.239 4.207 7.993
145 3HD2 LEU 22 HD23 LEU 22 59.356 5.547 8.248
146 H CYS 23 HN CYS 23 55.541 4.048 4.451
147 HA CYS 23 HA CYS 23 55.512 3.577 1.597
148 1HB CYS 23 HB2 CYS 23 54.069 1.712 1.618
149 2HB CYS 23 HB1 CYS 23 55.275 1.367 2.848
150 H PHE 24 HN PHE 24 54.136 5.065 0.647
151 HA PHE 24 HA PHE 24 51.600 5.532 1.917
152 1HB PHE 24 HB2 PHE 24 52.166 8.180 1.755
153 2HB PHE 24 HB1 PHE 24 52.153 7.232 3.225
154 HD1 PHE 24 HD1 PHE 24 53.827 7.661 4.641
155 HD2 PHE 24 HD2 PHE 24 54.630 7.923 0.466
156 HE1 PHE 24 HE1 PHE 24 56.121 8.369 5.140
157 HE2 PHE 24 HE2 PHE 24 56.931 8.627 0.968
158 HZ PHE 24 HZ PHE 24 57.663 8.869 3.301
159 H CYS 25 HN CYS 25 52.816 8.188 0.100
160 HA CYS 25 HA CYS 25 50.813 8.057 -1.799
161 1HB CYS 25 HB2 CYS 25 51.917 10.120 -1.459
162 2HB CYS 25 HB1 CYS 25 53.503 9.409 -1.734
163 H GLY 26 HN GLY 26 50.852 5.765 -2.322
164 1HA GLY 26 HA2 GLY 26 51.405 3.948 -3.582
165 2HA GLY 26 HA1 GLY 26 51.698 5.143 -4.834
166 H LYS 27 HN LYS 27 53.700 5.246 -1.975
167 HA LYS 27 HA LYS 27 55.707 3.569 -3.143
168 1HB LYS 27 HB2 LYS 27 55.726 6.446 -3.532
169 2HB LYS 27 HB1 LYS 27 57.224 5.838 -2.840
170 1HG LYS 27 HG2 LYS 27 57.515 4.319 -4.691
171 2HG LYS 27 HG1 LYS 27 55.950 4.787 -5.360
172 1HD LYS 27 HD2 LYS 27 57.784 7.024 -4.856
173 2HD LYS 27 HD1 LYS 27 58.340 5.880 -6.078
174 1HE LYS 27 HE2 LYS 27 56.960 6.790 -7.558
175 2HE LYS 27 HE1 LYS 27 55.585 6.370 -6.539
176 1HZ LYS 27 HZ1 LYS 27 56.221 8.865 -7.190
177 2HZ LYS 27 HZ2 LYS 27 57.083 8.727 -5.741
178 3HZ LYS 27 HZ3 LYS 27 55.413 8.459 -5.759
179 H CYS 28 HN CYS 28 57.790 3.616 -2.021
180 HA CYS 28 HA CYS 28 57.353 3.800 0.874
181 1HB CYS 28 HB2 CYS 28 59.574 2.299 -0.523
182 2HB CYS 28 HB1 CYS 28 59.050 2.124 1.143
183 H ARG 29 HN ARG 29 58.426 5.362 1.957
184 HA ARG 29 HA ARG 29 60.374 6.951 0.517
185 1HB ARG 29 HB2 ARG 29 60.180 8.538 2.275
186 2HB ARG 29 HB1 ARG 29 58.569 7.936 1.957
187 1HG ARG 29 HG2 ARG 29 58.341 7.085 4.013
188 2HG ARG 29 HG1 ARG 29 59.991 6.490 4.064
189 1HD ARG 29 HD2 ARG 29 59.036 9.286 4.613
190 2HD ARG 29 HD1 ARG 29 59.770 8.161 5.748
191 HE ARG 29 HE ARG 29 61.868 8.518 4.704
192 1HH1 ARG 29 HH11 ARG 29 59.342 10.577 3.429
193 2HH1 ARG 29 HH12 ARG 29 60.451 11.724 2.761
194 1HH2 ARG 29 HH21 ARG 29 63.315 10.030 3.821
195 2HH2 ARG 29 HH22 ARG 29 62.702 11.416 2.982
196 H CYS 30 HN CYS 30 62.073 5.553 0.284
197 HA CYS 30 HA CYS 30 63.282 4.410 2.666
198 1HB CYS 30 HB2 CYS 30 64.735 3.963 0.179
199 2HB CYS 30 HB1 CYS 30 64.103 2.812 1.336
200 H HIS 31 HN HIS 31 65.575 4.531 3.019
201 HA HIS 31 HA HIS 31 66.546 7.262 2.663
202 1HB HIS 31 HB2 HIS 31 68.121 5.306 4.241
203 2HB HIS 31 HB1 HIS 31 67.710 6.978 4.606
204 HD1 HIS 31 HD1 HIS 31 64.624 6.725 4.568
205 HD2 HIS 31 HD2 HIS 31 67.176 4.066 6.487
206 HE1 HIS 31 HE1 HIS 31 63.223 5.607 6.334
207 HE2 HIS 31 HE2 HIS 31 64.814 4.068 7.541
208 HA PRO 32 HA PRO 32 69.691 6.491 -0.289
209 1HB PRO 32 HB2 PRO 32 71.741 7.484 1.594
210 2HB PRO 32 HB1 PRO 32 71.304 8.082 -0.008
211 1HG PRO 32 HG2 PRO 32 70.615 9.435 2.188
212 2HG PRO 32 HG1 PRO 32 69.521 9.330 0.796
213 1HD PRO 32 HD2 PRO 32 69.427 7.850 3.391
214 2HD PRO 32 HD1 PRO 32 68.099 8.531 2.430
215 H GLY 33 HN GLY 33 70.192 4.534 -0.735
216 1HA GLY 33 HA2 GLY 33 72.043 2.976 -0.668
217 2HA GLY 33 HA1 GLY 33 72.002 3.085 1.083
218 H PHE 34 HN PHE 34 69.223 2.767 -1.079
219 HA PHE 34 HA PHE 34 68.896 -0.033 -0.355
220 1HB PHE 34 HB2 PHE 34 66.893 2.106 0.384
221 2HB PHE 34 HB1 PHE 34 66.526 0.385 0.380
222 HD1 PHE 34 HD1 PHE 34 67.018 2.876 2.540
223 HD2 PHE 34 HD2 PHE 34 68.759 -0.888 1.588
224 HE1 PHE 34 HE1 PHE 34 67.877 2.695 4.839
225 HE2 PHE 34 HE2 PHE 34 69.620 -1.076 3.884
226 HZ PHE 34 HZ PHE 34 69.179 0.716 5.514
227 H GLU 35 HN GLU 35 67.266 -1.129 -1.628
228 HA GLU 35 HA GLU 35 66.045 0.307 -3.813
229 1HB GLU 35 HB2 GLU 35 68.348 -1.574 -4.231
230 2HB GLU 35 HB1 GLU 35 67.117 -1.384 -5.471
231 1HG GLU 35 HG2 GLU 35 67.579 1.033 -5.523
232 2HG GLU 35 HG1 GLU 35 68.862 0.790 -4.338
233 H GLY 36 HN GLY 36 66.909 -3.119 -3.977
234 1HA GLY 36 HA2 GLY 36 65.535 -4.973 -4.121
235 2HA GLY 36 HA1 GLY 36 64.814 -4.311 -2.658
236 H SER 37 HN SER 37 62.828 -5.357 -3.513
237 HA SER 37 HA SER 37 61.596 -4.281 -5.866
238 1HB SER 37 HB2 SER 37 60.862 -6.194 -3.732
239 2HB SER 37 HB1 SER 37 59.511 -5.293 -4.417
240 HG SER 37 HG SER 37 59.672 -6.928 -5.796
241 H ALA 38 HN ALA 38 62.102 -3.304 -2.703
242 HA ALA 38 HA ALA 38 60.344 -0.980 -3.001
243 1HB ALA 38 HB1 ALA 38 59.057 -1.976 -1.431
244 2HB ALA 38 HB2 ALA 38 60.288 -1.318 -0.350
245 3HB ALA 38 HB3 ALA 38 60.371 -3.005 -0.860
246 H CYS 39 HN CYS 39 62.311 -2.087 -0.306
247 HA CYS 39 HA CYS 39 64.509 -0.446 -1.014
248 1HB CYS 39 HB2 CYS 39 63.558 0.330 1.663
249 2HB CYS 39 HB1 CYS 39 64.359 1.282 0.430
250 H GLN 40 HN GLN 40 64.352 -3.158 -0.631
251 HA GLN 40 HA GLN 40 65.362 -3.714 2.047
252 1HB GLN 40 HB2 GLN 40 65.123 -6.034 1.517
253 2HB GLN 40 HB1 GLN 40 63.676 -5.206 0.960
254 1HG GLN 40 HG2 GLN 40 65.617 -5.282 -1.143
255 2HG GLN 40 HG1 GLN 40 65.369 -6.899 -0.500
256 1HE2 GLN 40 HE21 GLN 40 63.048 -4.264 -0.682
257 2HE2 GLN 40 HE22 GLN 40 61.969 -5.049 -1.770
258 H ALA 41 HN ALA 41 66.509 -3.525 -1.251
259 HA ALA 41 HA ALA 41 69.138 -4.523 -0.433
260 1HB ALA 41 HB1 ALA 41 69.213 -3.948 -3.160
261 2HB ALA 41 HB2 ALA 41 67.604 -4.609 -2.869
262 3HB ALA 41 HB3 ALA 41 69.032 -5.533 -2.408
Start of MODEL 5
1 1H GLU 1 HT1 GLU 1 46.750 9.841 3.444
2 2H GLU 1 HT2 GLU 1 47.615 11.042 2.573
3 3H GLU 1 HT3 GLU 1 47.558 9.428 1.989
4 HA GLU 1 HA GLU 1 45.313 9.573 1.488
5 1HB GLU 1 HB2 GLU 1 44.119 11.770 1.990
6 2HB GLU 1 HB1 GLU 1 44.456 10.728 3.365
7 1HG GLU 1 HG2 GLU 1 46.315 12.092 4.018
8 2HG GLU 1 HG1 GLU 1 46.163 13.070 2.558
9 H CYS 2 HN CYS 2 46.973 9.575 -0.325
10 HA CYS 2 HA CYS 2 46.939 12.160 -1.739
11 1HB CYS 2 HB2 CYS 2 49.197 11.318 -1.207
12 2HB CYS 2 HB1 CYS 2 48.854 9.840 -2.098
13 H ASP 3 HN ASP 3 46.922 8.656 -2.382
14 HA ASP 3 HA ASP 3 44.592 8.623 -3.910
15 1HB ASP 3 HB2 ASP 3 46.444 9.965 -5.345
16 2HB ASP 3 HB1 ASP 3 46.810 8.322 -5.860
17 H THR 4 HN THR 4 45.703 6.704 -5.940
18 HA THR 4 HA THR 4 45.742 4.379 -4.220
19 HB THR 4 HB THR 4 45.496 3.089 -6.238
20 HG1 THR 4 HG1 THR 4 46.949 4.168 -7.573
21 1HG2 THR 4 HG21 THR 4 43.388 3.901 -5.790
22 2HG2 THR 4 HG22 THR 4 43.641 4.403 -7.461
23 3HG2 THR 4 HG23 THR 4 43.838 5.567 -6.152
24 H ILE 5 HN ILE 5 47.689 4.353 -3.214
25 HA ILE 5 HA ILE 5 49.972 3.518 -4.770
26 HB ILE 5 HB ILE 5 51.477 5.152 -3.695
27 1HG1 ILE 5 HG12 ILE 5 49.580 5.705 -1.952
28 2HG1 ILE 5 HG11 ILE 5 50.745 6.931 -2.412
29 1HG2 ILE 5 HG21 ILE 5 50.904 7.042 -5.187
30 2HG2 ILE 5 HG22 ILE 5 49.349 6.283 -5.499
31 3HG2 ILE 5 HG23 ILE 5 50.837 5.477 -5.992
32 1HD1 ILE 5 HD11 ILE 5 48.343 6.855 -4.073
33 2HD1 ILE 5 HD12 ILE 5 49.188 8.225 -3.350
34 3HD1 ILE 5 HD13 ILE 5 48.073 7.265 -2.380
35 H ASN 6 HN ASN 6 48.976 1.799 -3.427
36 HA ASN 6 HA ASN 6 49.503 1.891 -0.609
37 1HB ASN 6 HB2 ASN 6 48.035 0.211 -2.501
38 2HB ASN 6 HB1 ASN 6 48.753 -0.669 -1.154
39 1HD2 ASN 6 HD21 ASN 6 47.413 2.584 -1.378
40 2HD2 ASN 6 HD22 ASN 6 46.202 2.370 -0.165
41 H CYS 7 HN CYS 7 51.086 0.970 0.477
42 HA CYS 7 HA CYS 7 53.586 0.637 -0.422
43 1HB CYS 7 HB2 CYS 7 52.171 -0.686 1.857
44 2HB CYS 7 HB1 CYS 7 53.853 -1.061 1.528
45 H GLU 8 HN GLU 8 54.957 -0.943 -1.076
46 HA GLU 8 HA GLU 8 53.735 -3.240 -2.419
47 1HB GLU 8 HB2 GLU 8 56.599 -2.249 -2.531
48 2HB GLU 8 HB1 GLU 8 55.875 -3.470 -3.568
49 1HG GLU 8 HG2 GLU 8 55.008 -0.590 -3.468
50 2HG GLU 8 HG1 GLU 8 56.136 -1.260 -4.647
51 H ARG 9 HN ARG 9 55.446 -5.259 -2.296
52 HA ARG 9 HA ARG 9 56.293 -5.447 0.496
53 1HB ARG 9 HB2 ARG 9 54.839 -7.685 -0.867
54 2HB ARG 9 HB1 ARG 9 55.376 -7.624 0.808
55 1HG ARG 9 HG2 ARG 9 53.690 -6.205 1.431
56 2HG ARG 9 HG1 ARG 9 53.484 -5.550 -0.194
57 1HD ARG 9 HD2 ARG 9 52.743 -8.002 -0.749
58 2HD ARG 9 HD1 ARG 9 52.439 -8.085 0.985
59 HE ARG 9 HE ARG 9 50.631 -6.702 0.708
60 1HH1 ARG 9 HH11 ARG 9 52.562 -6.653 -2.199
61 2HH1 ARG 9 HH12 ARG 9 51.383 -5.779 -3.117
62 1HH2 ARG 9 HH21 ARG 9 49.078 -5.553 -0.498
63 2HH2 ARG 9 HH22 ARG 9 49.405 -5.154 -2.152
64 H TYR 10 HN TYR 10 58.088 -6.281 0.902
65 HA TYR 10 HA TYR 10 59.753 -7.325 -1.239
66 1HB TYR 10 HB2 TYR 10 61.606 -6.807 0.208
67 2HB TYR 10 HB1 TYR 10 60.488 -5.468 0.302
68 HD1 TYR 10 HD1 TYR 10 58.701 -5.751 2.248
69 HD2 TYR 10 HD2 TYR 10 62.540 -7.550 2.128
70 HE1 TYR 10 HE1 TYR 10 58.725 -5.830 4.670
71 HE2 TYR 10 HE2 TYR 10 62.567 -7.656 4.581
72 HH TYR 10 HH TYR 10 60.867 -7.706 6.449
73 H ASN 11 HN ASN 11 61.413 -8.729 0.884
74 HA ASN 11 HA ASN 11 59.918 -11.219 0.765
75 1HB ASN 11 HB2 ASN 11 62.776 -10.627 1.545
76 2HB ASN 11 HB1 ASN 11 62.069 -12.240 1.526
77 1HD2 ASN 11 HD21 ASN 11 61.265 -13.036 -0.523
78 2HD2 ASN 11 HD22 ASN 11 62.025 -12.522 -1.986
79 H GLY 12 HN GLY 12 58.377 -10.222 2.471
80 1HA GLY 12 HA2 GLY 12 58.224 -11.544 4.730
81 2HA GLY 12 HA1 GLY 12 59.506 -10.436 5.172
82 H GLN 13 HN GLN 13 58.286 -8.152 3.728
83 HA GLN 13 HA GLN 13 55.754 -7.751 5.108
84 1HB GLN 13 HB2 GLN 13 57.853 -5.654 5.486
85 2HB GLN 13 HB1 GLN 13 56.432 -5.977 6.467
86 1HG GLN 13 HG2 GLN 13 58.696 -7.932 6.376
87 2HG GLN 13 HG1 GLN 13 58.758 -6.517 7.416
88 1HE2 GLN 13 HE21 GLN 13 56.331 -6.258 8.428
89 2HE2 GLN 13 HE22 GLN 13 55.854 -7.660 9.317
90 H VAL 14 HN VAL 14 55.842 -4.892 4.816
91 HA VAL 14 HA VAL 14 55.622 -4.736 1.903
92 HB VAL 14 HB VAL 14 54.102 -2.863 2.220
93 1HG1 VAL 14 HG11 VAL 14 52.450 -4.218 3.868
94 2HG1 VAL 14 HG12 VAL 14 53.596 -5.490 3.448
95 3HG1 VAL 14 HG13 VAL 14 52.718 -4.641 2.177
96 1HG2 VAL 14 HG21 VAL 14 53.392 -2.743 4.844
97 2HG2 VAL 14 HG22 VAL 14 54.494 -1.619 4.050
98 3HG2 VAL 14 HG23 VAL 14 55.135 -2.984 4.963
99 H CYS 15 HN CYS 15 57.242 -3.784 0.911
100 HA CYS 15 HA CYS 15 58.898 -2.320 0.378
101 1HB CYS 15 HB2 CYS 15 56.957 -0.757 1.425
102 2HB CYS 15 HB1 CYS 15 58.279 -0.405 2.527
103 H GLY 16 HN GLY 16 59.793 -4.322 1.846
104 1HA GLY 16 HA2 GLY 16 61.443 -4.979 3.322
105 2HA GLY 16 HA1 GLY 16 62.164 -3.446 2.950
106 H GLY 17 HN GLY 17 59.034 -3.817 4.452
107 1HA GLY 17 HA2 GLY 17 58.210 -3.296 6.520
108 2HA GLY 17 HA1 GLY 17 59.790 -3.700 7.163
109 HA PRO 18 HA PRO 18 58.752 1.015 7.171
110 1HB PRO 18 HB2 PRO 18 58.300 0.681 10.060
111 2HB PRO 18 HB1 PRO 18 57.340 1.553 8.862
112 1HG PRO 18 HG2 PRO 18 56.496 -0.762 9.938
113 2HG PRO 18 HG1 PRO 18 56.142 -0.323 8.258
114 1HD PRO 18 HD2 PRO 18 58.199 -2.214 9.331
115 2HD PRO 18 HD1 PRO 18 57.164 -2.368 7.896
116 H GLY 19 HN GLY 19 60.748 -1.228 8.840
117 1HA GLY 19 HA2 GLY 19 62.406 0.790 10.109
118 2HA GLY 19 HA1 GLY 19 62.700 -0.943 10.086
119 H ARG 20 HN ARG 20 62.023 0.794 7.187
120 HA ARG 20 HA ARG 20 64.784 1.140 6.407
121 1HB ARG 20 HB2 ARG 20 62.971 -0.784 4.929
122 2HB ARG 20 HB1 ARG 20 64.600 -0.328 4.448
123 1HG ARG 20 HG2 ARG 20 65.412 -1.294 6.611
124 2HG ARG 20 HG1 ARG 20 63.778 -1.901 6.879
125 1HD ARG 20 HD2 ARG 20 64.656 -3.737 5.883
126 2HD ARG 20 HD1 ARG 20 64.166 -2.868 4.432
127 HE ARG 20 HE ARG 20 66.370 -2.643 3.878
128 1HH1 ARG 20 HH11 ARG 20 66.145 -3.432 7.269
129 2HH1 ARG 20 HH12 ARG 20 67.855 -3.607 7.473
130 1HH2 ARG 20 HH21 ARG 20 68.624 -2.875 4.144
131 2HH2 ARG 20 HH22 ARG 20 69.263 -3.291 5.698
132 H GLY 21 HN GLY 21 61.371 1.095 5.473
133 1HA GLY 21 HA2 GLY 21 61.301 3.774 4.636
134 2HA GLY 21 HA1 GLY 21 61.547 2.760 3.225
135 H LEU 22 HN LEU 22 59.341 4.159 3.100
136 HA LEU 22 HA LEU 22 57.280 2.158 3.480
137 1HB LEU 22 HB2 LEU 22 55.788 4.295 4.066
138 2HB LEU 22 HB1 LEU 22 56.525 3.263 5.281
139 HG LEU 22 HG LEU 22 58.250 5.363 4.309
140 1HD1 LEU 22 HD11 LEU 22 56.037 6.501 4.243
141 2HD1 LEU 22 HD12 LEU 22 57.171 7.212 5.391
142 3HD1 LEU 22 HD13 LEU 22 55.871 6.169 5.967
143 1HD2 LEU 22 HD21 LEU 22 58.296 3.705 6.400
144 2HD2 LEU 22 HD22 LEU 22 57.512 5.090 7.161
145 3HD2 LEU 22 HD23 LEU 22 59.100 5.275 6.416
146 H CYS 23 HN CYS 23 55.114 3.329 2.541
147 HA CYS 23 HA CYS 23 55.878 4.093 -0.181
148 1HB CYS 23 HB2 CYS 23 53.485 3.529 -0.732
149 2HB CYS 23 HB1 CYS 23 54.468 2.175 -0.189
150 H PHE 24 HN PHE 24 55.088 5.984 -1.143
151 HA PHE 24 HA PHE 24 53.639 7.731 0.744
152 1HB PHE 24 HB2 PHE 24 56.155 8.209 -0.720
153 2HB PHE 24 HB1 PHE 24 55.011 9.550 -0.695
154 HD1 PHE 24 HD1 PHE 24 54.520 10.737 1.336
155 HD2 PHE 24 HD2 PHE 24 57.066 7.337 1.297
156 HE1 PHE 24 HE1 PHE 24 55.254 11.252 3.643
157 HE2 PHE 24 HE2 PHE 24 57.813 7.836 3.592
158 HZ PHE 24 HZ PHE 24 56.899 9.796 4.768
159 H CYS 25 HN CYS 25 53.087 9.809 -0.474
160 HA CYS 25 HA CYS 25 50.907 9.345 -2.113
161 1HB CYS 25 HB2 CYS 25 50.993 11.353 -0.923
162 2HB CYS 25 HB1 CYS 25 52.659 11.673 -1.402
163 H GLY 26 HN GLY 26 52.030 7.770 -3.588
164 1HA GLY 26 HA2 GLY 26 52.130 8.262 -6.142
165 2HA GLY 26 HA1 GLY 26 53.634 9.047 -5.681
166 H LYS 27 HN LYS 27 54.878 7.419 -4.001
167 HA LYS 27 HA LYS 27 54.770 4.665 -4.918
168 1HB LYS 27 HB2 LYS 27 56.917 6.583 -5.670
169 2HB LYS 27 HB1 LYS 27 57.332 4.900 -5.381
170 1HG LYS 27 HG2 LYS 27 56.771 4.462 -7.482
171 2HG LYS 27 HG1 LYS 27 55.098 4.838 -7.064
172 1HD LYS 27 HD2 LYS 27 55.948 7.319 -7.429
173 2HD LYS 27 HD1 LYS 27 57.139 6.504 -8.446
174 1HE LYS 27 HE2 LYS 27 54.744 5.316 -9.153
175 2HE LYS 27 HE1 LYS 27 54.316 7.010 -8.919
176 1HZ LYS 27 HZ1 LYS 27 55.285 6.059 -11.191
177 2HZ LYS 27 HZ2 LYS 27 56.738 6.492 -10.443
178 3HZ LYS 27 HZ3 LYS 27 55.534 7.654 -10.685
179 H CYS 28 HN CYS 28 56.942 3.544 -4.023
180 HA CYS 28 HA CYS 28 56.890 4.016 -1.167
181 1HB CYS 28 HB2 CYS 28 57.261 1.746 -2.780
182 2HB CYS 28 HB1 CYS 28 58.810 2.015 -1.990
183 H ARG 29 HN ARG 29 58.381 5.078 -0.045
184 HA ARG 29 HA ARG 29 60.823 5.904 -1.448
185 1HB ARG 29 HB2 ARG 29 58.927 7.553 -0.525
186 2HB ARG 29 HB1 ARG 29 59.883 7.396 0.941
187 1HG ARG 29 HG2 ARG 29 61.199 8.989 0.159
188 2HG ARG 29 HG1 ARG 29 61.745 7.848 -1.070
189 1HD ARG 29 HD2 ARG 29 60.916 10.062 -1.927
190 2HD ARG 29 HD1 ARG 29 60.159 8.639 -2.640
191 HE ARG 29 HE ARG 29 58.664 9.585 -0.421
192 1HH1 ARG 29 HH11 ARG 29 59.363 10.271 -3.771
193 2HH1 ARG 29 HH12 ARG 29 57.858 11.079 -4.050
194 1HH2 ARG 29 HH21 ARG 29 56.682 10.649 -0.787
195 2HH2 ARG 29 HH22 ARG 29 56.336 11.294 -2.356
196 H CYS 30 HN CYS 30 62.370 4.557 -0.837
197 HA CYS 30 HA CYS 30 62.580 3.596 1.891
198 1HB CYS 30 HB2 CYS 30 63.148 2.244 -0.237
199 2HB CYS 30 HB1 CYS 30 64.627 3.183 -0.285
200 H HIS 31 HN HIS 31 64.522 3.913 3.176
201 HA HIS 31 HA HIS 31 65.316 6.624 3.271
202 1HB HIS 31 HB2 HIS 31 66.601 4.244 4.624
203 2HB HIS 31 HB1 HIS 31 66.828 5.933 5.067
204 HD1 HIS 31 HD1 HIS 31 63.660 6.546 4.718
205 HD2 HIS 31 HD2 HIS 31 65.438 3.640 7.094
206 HE1 HIS 31 HE1 HIS 31 61.981 6.030 6.517
207 HE2 HIS 31 HE2 HIS 31 63.042 4.201 7.888
208 HA PRO 32 HA PRO 32 68.784 6.962 0.593
209 1HB PRO 32 HB2 PRO 32 70.333 8.199 2.782
210 2HB PRO 32 HB1 PRO 32 69.875 8.869 1.213
211 1HG PRO 32 HG2 PRO 32 68.700 9.704 3.466
212 2HG PRO 32 HG1 PRO 32 67.785 9.534 1.957
213 1HD PRO 32 HD2 PRO 32 67.865 7.725 4.338
214 2HD PRO 32 HD1 PRO 32 66.484 8.201 3.329
215 H GLY 33 HN GLY 33 69.851 5.285 0.028
216 1HA GLY 33 HA2 GLY 33 71.921 4.133 0.111
217 2HA GLY 33 HA1 GLY 33 71.869 4.201 1.863
218 H PHE 34 HN PHE 34 69.087 3.335 -0.070
219 HA PHE 34 HA PHE 34 69.406 0.536 0.789
220 1HB PHE 34 HB2 PHE 34 67.035 2.361 0.967
221 2HB PHE 34 HB1 PHE 34 66.791 0.625 0.799
222 HD1 PHE 34 HD1 PHE 34 69.089 -0.340 2.452
223 HD2 PHE 34 HD2 PHE 34 66.257 2.756 3.160
224 HE1 PHE 34 HE1 PHE 34 69.392 -0.624 4.873
225 HE2 PHE 34 HE2 PHE 34 66.558 2.477 5.581
226 HZ PHE 34 HZ PHE 34 68.126 0.786 6.442
227 H GLU 35 HN GLU 35 67.848 -0.941 -0.511
228 HA GLU 35 HA GLU 35 67.256 -0.039 -3.188
229 1HB GLU 35 HB2 GLU 35 69.532 -1.915 -2.616
230 2HB GLU 35 HB1 GLU 35 68.657 -2.004 -4.138
231 1HG GLU 35 HG2 GLU 35 70.128 0.395 -3.072
232 2HG GLU 35 HG1 GLU 35 70.667 -0.674 -4.365
233 H GLY 36 HN GLY 36 68.011 -3.398 -2.834
234 1HA GLY 36 HA2 GLY 36 66.694 -5.272 -2.698
235 2HA GLY 36 HA1 GLY 36 65.599 -4.319 -1.701
236 H SER 37 HN SER 37 63.861 -5.446 -2.711
237 HA SER 37 HA SER 37 63.358 -4.786 -5.522
238 1HB SER 37 HB2 SER 37 62.500 -6.919 -3.698
239 2HB SER 37 HB1 SER 37 61.164 -6.221 -4.613
240 HG SER 37 HG SER 37 62.255 -7.990 -5.673
241 H ALA 38 HN ALA 38 62.699 -3.868 -2.358
242 HA ALA 38 HA ALA 38 60.746 -1.871 -3.223
243 1HB ALA 38 HB1 ALA 38 59.792 -3.974 -1.979
244 2HB ALA 38 HB2 ALA 38 59.232 -2.353 -1.570
245 3HB ALA 38 HB3 ALA 38 60.429 -3.155 -0.556
246 H CYS 39 HN CYS 39 62.103 -2.908 -0.140
247 HA CYS 39 HA CYS 39 63.874 -0.698 -0.019
248 1HB CYS 39 HB2 CYS 39 61.766 0.369 0.589
249 2HB CYS 39 HB1 CYS 39 61.517 -0.838 1.832
250 H GLN 40 HN GLN 40 63.693 -3.729 0.282
251 HA GLN 40 HA GLN 40 64.315 -4.293 3.014
252 1HB GLN 40 HB2 GLN 40 64.434 -6.544 2.377
253 2HB GLN 40 HB1 GLN 40 63.212 -5.843 1.327
254 1HG GLN 40 HG2 GLN 40 65.477 -5.526 -0.158
255 2HG GLN 40 HG1 GLN 40 65.783 -7.050 0.666
256 1HE2 GLN 40 HE21 GLN 40 62.958 -5.471 -0.760
257 2HE2 GLN 40 HE22 GLN 40 62.477 -6.821 -1.720
258 H ALA 41 HN ALA 41 66.273 -3.749 0.132
259 HA ALA 41 HA ALA 41 68.673 -4.662 1.461
260 1HB ALA 41 HB1 ALA 41 68.797 -3.116 -1.072
261 2HB ALA 41 HB2 ALA 41 68.043 -4.710 -1.096
262 3HB ALA 41 HB3 ALA 41 69.715 -4.533 -0.564
Start of MODEL 6
1 1H GLU 1 HT1 GLU 1 46.494 6.996 2.516
2 2H GLU 1 HT2 GLU 1 47.472 8.341 2.936
3 3H GLU 1 HT3 GLU 1 47.596 7.642 1.375
4 HA GLU 1 HA GLU 1 45.282 8.240 0.976
5 1HB GLU 1 HB2 GLU 1 45.632 9.934 3.451
6 2HB GLU 1 HB1 GLU 1 44.173 9.725 2.493
7 1HG GLU 1 HG2 GLU 1 44.129 7.343 3.178
8 2HG GLU 1 HG1 GLU 1 45.503 7.663 4.234
9 H CYS 2 HN CYS 2 46.392 9.065 -0.801
10 HA CYS 2 HA CYS 2 46.619 11.849 -0.981
11 1HB CYS 2 HB2 CYS 2 48.673 11.320 0.425
12 2HB CYS 2 HB1 CYS 2 49.336 10.529 -1.000
13 H ASP 3 HN ASP 3 47.518 8.702 -2.240
14 HA ASP 3 HA ASP 3 46.634 9.389 -4.869
15 1HB ASP 3 HB2 ASP 3 49.275 10.074 -4.298
16 2HB ASP 3 HB1 ASP 3 49.413 8.536 -5.144
17 H THR 4 HN THR 4 48.272 7.403 -6.206
18 HA THR 4 HA THR 4 46.957 5.010 -5.275
19 HB THR 4 HB THR 4 47.806 3.985 -7.315
20 HG1 THR 4 HG1 THR 4 49.781 4.750 -7.664
21 1HG2 THR 4 HG21 THR 4 45.841 5.469 -7.570
22 2HG2 THR 4 HG22 THR 4 46.819 5.319 -9.029
23 3HG2 THR 4 HG23 THR 4 46.937 6.771 -8.034
24 H ILE 5 HN ILE 5 47.890 3.920 -3.728
25 HA ILE 5 HA ILE 5 50.763 3.474 -3.784
26 HB ILE 5 HB ILE 5 50.457 3.928 -1.129
27 1HG1 ILE 5 HG12 ILE 5 49.339 6.062 -0.806
28 2HG1 ILE 5 HG11 ILE 5 48.939 6.138 -2.520
29 1HG2 ILE 5 HG21 ILE 5 51.484 6.250 -1.819
30 2HG2 ILE 5 HG22 ILE 5 51.551 5.463 -3.393
31 3HG2 ILE 5 HG23 ILE 5 52.371 4.741 -2.009
32 1HD1 ILE 5 HD11 ILE 5 46.981 5.271 -1.921
33 2HD1 ILE 5 HD12 ILE 5 47.585 4.771 -0.343
34 3HD1 ILE 5 HD13 ILE 5 47.844 3.746 -1.751
35 H ASN 6 HN ASN 6 49.823 1.459 -4.383
36 HA ASN 6 HA ASN 6 48.640 -0.086 -2.223
37 1HB ASN 6 HB2 ASN 6 48.098 -1.688 -3.916
38 2HB ASN 6 HB1 ASN 6 47.726 -0.092 -4.562
39 1HD2 ASN 6 HD21 ASN 6 49.151 0.848 -6.067
40 2HD2 ASN 6 HD22 ASN 6 50.166 -0.137 -7.058
41 H CYS 7 HN CYS 7 50.945 0.660 -1.475
42 HA CYS 7 HA CYS 7 53.341 0.112 -1.676
43 1HB CYS 7 HB2 CYS 7 51.991 -1.387 0.551
44 2HB CYS 7 HB1 CYS 7 53.617 -0.710 0.551
45 H GLU 8 HN GLU 8 54.870 -1.254 -2.176
46 HA GLU 8 HA GLU 8 54.143 -3.935 -3.070
47 1HB GLU 8 HB2 GLU 8 56.828 -2.561 -3.220
48 2HB GLU 8 HB1 GLU 8 56.332 -3.998 -4.095
49 1HG GLU 8 HG2 GLU 8 55.202 -1.233 -4.468
50 2HG GLU 8 HG1 GLU 8 56.356 -2.032 -5.534
51 H ARG 9 HN ARG 9 54.586 -5.709 -1.887
52 HA ARG 9 HA ARG 9 55.966 -5.308 0.636
53 1HB ARG 9 HB2 ARG 9 54.501 -7.735 -0.353
54 2HB ARG 9 HB1 ARG 9 55.137 -7.508 1.265
55 1HG ARG 9 HG2 ARG 9 53.239 -6.552 1.881
56 2HG ARG 9 HG1 ARG 9 53.464 -5.297 0.661
57 1HD ARG 9 HD2 ARG 9 51.537 -6.111 -0.171
58 2HD ARG 9 HD1 ARG 9 52.591 -7.331 -0.884
59 HE ARG 9 HE ARG 9 51.639 -7.994 1.750
60 1HH1 ARG 9 HH11 ARG 9 50.970 -8.154 -1.671
61 2HH1 ARG 9 HH12 ARG 9 49.916 -9.520 -1.528
62 1HH2 ARG 9 HH21 ARG 9 50.249 -9.789 1.941
63 2HH2 ARG 9 HH22 ARG 9 49.505 -10.447 0.521
64 H TYR 10 HN TYR 10 57.852 -6.103 1.185
65 HA TYR 10 HA TYR 10 59.412 -7.362 -0.888
66 1HB TYR 10 HB2 TYR 10 61.347 -6.817 0.382
67 2HB TYR 10 HB1 TYR 10 60.288 -5.440 0.378
68 HD1 TYR 10 HD1 TYR 10 58.721 -5.295 2.532
69 HD2 TYR 10 HD2 TYR 10 62.404 -7.392 2.276
70 HE1 TYR 10 HE1 TYR 10 59.068 -4.964 4.929
71 HE2 TYR 10 HE2 TYR 10 62.745 -7.109 4.691
72 HH TYR 10 HH TYR 10 61.482 -4.978 6.477
73 H ASN 11 HN ASN 11 60.993 -8.572 1.581
74 HA ASN 11 HA ASN 11 59.865 -11.169 1.133
75 1HB ASN 11 HB2 ASN 11 62.392 -10.329 1.509
76 2HB ASN 11 HB1 ASN 11 62.011 -10.855 3.144
77 1HD2 ASN 11 HD21 ASN 11 63.928 -12.015 1.402
78 2HD2 ASN 11 HD22 ASN 11 63.435 -13.643 1.096
79 H GLY 12 HN GLY 12 57.763 -10.587 2.221
80 1HA GLY 12 HA2 GLY 12 56.556 -11.671 3.972
81 2HA GLY 12 HA1 GLY 12 57.947 -11.473 5.015
82 H GLN 13 HN GLN 13 57.979 -8.516 3.992
83 HA GLN 13 HA GLN 13 55.887 -7.634 5.866
84 1HB GLN 13 HB2 GLN 13 58.558 -6.390 5.236
85 2HB GLN 13 HB1 GLN 13 57.361 -5.683 6.308
86 1HG GLN 13 HG2 GLN 13 59.195 -6.849 7.484
87 2HG GLN 13 HG1 GLN 13 57.590 -7.446 7.882
88 1HE2 GLN 13 HE21 GLN 13 59.812 -8.126 5.203
89 2HE2 GLN 13 HE22 GLN 13 59.871 -9.830 5.460
90 H VAL 14 HN VAL 14 56.963 -4.813 4.829
91 HA VAL 14 HA VAL 14 55.627 -4.755 2.251
92 HB VAL 14 HB VAL 14 54.313 -2.696 3.048
93 1HG1 VAL 14 HG11 VAL 14 53.016 -4.507 2.424
94 2HG1 VAL 14 HG12 VAL 14 52.527 -4.246 4.097
95 3HG1 VAL 14 HG13 VAL 14 53.657 -5.538 3.702
96 1HG2 VAL 14 HG21 VAL 14 54.014 -2.268 5.262
97 2HG2 VAL 14 HG22 VAL 14 55.650 -2.923 5.329
98 3HG2 VAL 14 HG23 VAL 14 54.273 -3.947 5.736
99 H CYS 15 HN CYS 15 56.994 -3.737 0.974
100 HA CYS 15 HA CYS 15 58.368 -2.177 0.101
101 1HB CYS 15 HB2 CYS 15 56.743 -0.724 1.975
102 2HB CYS 15 HB1 CYS 15 58.359 -0.041 1.932
103 H GLY 16 HN GLY 16 59.632 -4.126 1.633
104 1HA GLY 16 HA2 GLY 16 61.668 -4.536 2.636
105 2HA GLY 16 HA1 GLY 16 62.141 -2.952 2.098
106 H GLY 17 HN GLY 17 59.347 -3.105 4.071
107 1HA GLY 17 HA2 GLY 17 58.889 -2.537 6.229
108 2HA GLY 17 HA1 GLY 17 60.496 -3.103 6.640
109 HA PRO 18 HA PRO 18 59.762 1.770 6.576
110 1HB PRO 18 HB2 PRO 18 59.591 1.326 9.512
111 2HB PRO 18 HB1 PRO 18 58.731 2.488 8.495
112 1HG PRO 18 HG2 PRO 18 57.500 0.314 9.429
113 2HG PRO 18 HG1 PRO 18 57.170 0.925 7.798
114 1HD PRO 18 HD2 PRO 18 58.790 -1.430 8.650
115 2HD PRO 18 HD1 PRO 18 57.770 -1.218 7.213
116 H GLY 19 HN GLY 19 61.493 -0.519 8.635
117 1HA GLY 19 HA2 GLY 19 63.485 1.050 9.700
118 2HA GLY 19 HA1 GLY 19 63.731 -0.613 9.185
119 H ARG 20 HN ARG 20 63.064 0.065 6.394
120 HA ARG 20 HA ARG 20 65.544 1.484 5.678
121 1HB ARG 20 HB2 ARG 20 64.229 -0.633 3.983
122 2HB ARG 20 HB1 ARG 20 65.849 0.027 3.831
123 1HG ARG 20 HG2 ARG 20 65.115 -1.399 6.337
124 2HG ARG 20 HG1 ARG 20 65.446 -2.336 4.879
125 1HD ARG 20 HD2 ARG 20 67.378 -0.204 5.519
126 2HD ARG 20 HD1 ARG 20 67.344 -1.570 6.630
127 HE ARG 20 HE ARG 20 68.139 -1.608 3.829
128 1HH1 ARG 20 HH11 ARG 20 67.454 -3.427 6.734
129 2HH1 ARG 20 HH12 ARG 20 68.322 -4.829 6.206
130 1HH2 ARG 20 HH21 ARG 20 69.275 -3.454 3.139
131 2HH2 ARG 20 HH22 ARG 20 69.354 -4.845 4.169
132 H GLY 21 HN GLY 21 62.142 0.999 5.024
133 1HA GLY 21 HA2 GLY 21 61.910 3.591 3.850
134 2HA GLY 21 HA1 GLY 21 61.782 2.325 2.639
135 H LEU 22 HN LEU 22 59.782 4.272 3.546
136 HA LEU 22 HA LEU 22 57.711 2.375 4.352
137 1HB LEU 22 HB2 LEU 22 56.582 4.267 5.541
138 2HB LEU 22 HB1 LEU 22 58.054 3.667 6.292
139 HG LEU 22 HG LEU 22 58.608 5.730 4.404
140 1HD1 LEU 22 HD11 LEU 22 56.661 6.877 4.784
141 2HD1 LEU 22 HD12 LEU 22 57.658 7.513 6.093
142 3HD1 LEU 22 HD13 LEU 22 56.482 6.240 6.418
143 1HD2 LEU 22 HD21 LEU 22 59.838 4.711 6.537
144 2HD2 LEU 22 HD22 LEU 22 59.071 6.102 7.302
145 3HD2 LEU 22 HD23 LEU 22 60.168 6.338 5.942
146 H CYS 23 HN CYS 23 55.495 3.151 3.837
147 HA CYS 23 HA CYS 23 55.412 4.029 1.084
148 1HB CYS 23 HB2 CYS 23 53.885 2.351 2.749
149 2HB CYS 23 HB1 CYS 23 52.835 3.697 2.340
150 H PHE 24 HN PHE 24 54.713 6.051 0.369
151 HA PHE 24 HA PHE 24 53.587 7.811 2.452
152 1HB PHE 24 HB2 PHE 24 56.031 8.202 0.878
153 2HB PHE 24 HB1 PHE 24 54.935 9.581 0.862
154 HD1 PHE 24 HD1 PHE 24 53.801 9.737 3.446
155 HD2 PHE 24 HD2 PHE 24 57.719 8.546 2.317
156 HE1 PHE 24 HE1 PHE 24 54.630 10.333 5.694
157 HE2 PHE 24 HE2 PHE 24 58.564 9.138 4.555
158 HZ PHE 24 HZ PHE 24 57.013 10.028 6.249
159 H CYS 25 HN CYS 25 53.036 9.969 1.284
160 HA CYS 25 HA CYS 25 50.664 9.736 0.043
161 1HB CYS 25 HB2 CYS 25 51.148 11.862 0.739
162 2HB CYS 25 HB1 CYS 25 52.808 11.789 0.147
163 H GLY 26 HN GLY 26 50.717 8.002 -1.449
164 1HA GLY 26 HA2 GLY 26 50.642 7.198 -3.591
165 2HA GLY 26 HA1 GLY 26 51.105 8.798 -4.149
166 H LYS 27 HN LYS 27 53.399 7.692 -1.923
167 HA LYS 27 HA LYS 27 54.907 6.113 -3.807
168 1HB LYS 27 HB2 LYS 27 55.445 8.972 -3.376
169 2HB LYS 27 HB1 LYS 27 56.854 7.922 -3.321
170 1HG LYS 27 HG2 LYS 27 56.917 8.121 -5.535
171 2HG LYS 27 HG1 LYS 27 55.513 7.052 -5.565
172 1HD LYS 27 HD2 LYS 27 54.101 8.717 -6.121
173 2HD LYS 27 HD1 LYS 27 54.905 9.885 -5.069
174 1HE LYS 27 HE2 LYS 27 56.805 9.593 -6.936
175 2HE LYS 27 HE1 LYS 27 55.384 9.239 -7.917
176 1HZ LYS 27 HZ1 LYS 27 54.480 11.395 -6.841
177 2HZ LYS 27 HZ2 LYS 27 55.573 11.506 -8.126
178 3HZ LYS 27 HZ3 LYS 27 56.110 11.735 -6.539
179 H CYS 28 HN CYS 28 56.511 4.898 -2.945
180 HA CYS 28 HA CYS 28 56.698 4.890 -0.032
181 1HB CYS 28 HB2 CYS 28 56.488 2.816 -1.756
182 2HB CYS 28 HB1 CYS 28 58.243 2.921 -1.636
183 H ARG 29 HN ARG 29 58.237 6.083 0.883
184 HA ARG 29 HA ARG 29 60.610 6.784 -0.661
185 1HB ARG 29 HB2 ARG 29 59.533 7.955 1.907
186 2HB ARG 29 HB1 ARG 29 60.946 8.536 1.039
187 1HG ARG 29 HG2 ARG 29 58.512 8.368 -0.584
188 2HG ARG 29 HG1 ARG 29 58.433 9.517 0.753
189 1HD ARG 29 HD2 ARG 29 59.857 10.934 -0.235
190 2HD ARG 29 HD1 ARG 29 60.945 9.637 -0.727
191 HE ARG 29 HE ARG 29 59.932 9.604 -2.781
192 1HH1 ARG 29 HH11 ARG 29 57.948 11.427 -0.564
193 2HH1 ARG 29 HH12 ARG 29 56.882 12.009 -1.799
194 1HH2 ARG 29 HH21 ARG 29 58.531 10.366 -4.407
195 2HH2 ARG 29 HH22 ARG 29 57.213 11.405 -3.981
196 H CYS 30 HN CYS 30 62.095 5.260 -0.447
197 HA CYS 30 HA CYS 30 62.681 4.161 2.198
198 1HB CYS 30 HB2 CYS 30 64.340 3.184 -0.011
199 2HB CYS 30 HB1 CYS 30 63.422 2.292 1.188
200 H HIS 31 HN HIS 31 64.671 4.354 3.194
201 HA HIS 31 HA HIS 31 66.027 6.752 2.949
202 1HB HIS 31 HB2 HIS 31 67.251 4.206 4.013
203 2HB HIS 31 HB1 HIS 31 67.660 5.857 4.462
204 HD1 HIS 31 HD1 HIS 31 64.697 6.845 4.872
205 HD2 HIS 31 HD2 HIS 31 66.341 3.381 6.476
206 HE1 HIS 31 HE1 HIS 31 63.299 6.309 6.893
207 HE2 HIS 31 HE2 HIS 31 64.266 4.168 7.804
208 HA PRO 32 HA PRO 32 68.740 6.416 -0.516
209 1HB PRO 32 HB2 PRO 32 70.824 7.756 1.080
210 2HB PRO 32 HB1 PRO 32 70.029 8.289 -0.404
211 1HG PRO 32 HG2 PRO 32 69.513 9.448 1.960
212 2HG PRO 32 HG1 PRO 32 68.256 9.239 0.727
213 1HD PRO 32 HD2 PRO 32 68.752 7.657 3.217
214 2HD PRO 32 HD1 PRO 32 67.214 8.173 2.493
215 H GLY 33 HN GLY 33 69.582 4.606 -1.075
216 1HA GLY 33 HA2 GLY 33 71.595 3.340 -1.238
217 2HA GLY 33 HA1 GLY 33 71.843 3.557 0.484
218 H PHE 34 HN PHE 34 68.763 2.703 -0.956
219 HA PHE 34 HA PHE 34 69.082 -0.063 -0.035
220 1HB PHE 34 HB2 PHE 34 66.826 1.810 0.691
221 2HB PHE 34 HB1 PHE 34 66.729 0.065 0.887
222 HD1 PHE 34 HD1 PHE 34 69.684 -0.257 1.751
223 HD2 PHE 34 HD2 PHE 34 66.555 2.349 2.990
224 HE1 PHE 34 HE1 PHE 34 70.734 -0.054 3.963
225 HE2 PHE 34 HE2 PHE 34 67.603 2.554 5.206
226 HZ PHE 34 HZ PHE 34 69.695 1.353 5.695
227 H GLU 35 HN GLU 35 67.860 -1.596 -1.146
228 HA GLU 35 HA GLU 35 66.153 -0.668 -3.320
229 1HB GLU 35 HB2 GLU 35 67.291 -2.070 -4.973
230 2HB GLU 35 HB1 GLU 35 68.377 -0.882 -4.307
231 1HG GLU 35 HG2 GLU 35 69.282 -2.614 -2.786
232 2HG GLU 35 HG1 GLU 35 68.283 -3.797 -3.627
233 H GLY 36 HN GLY 36 66.502 -3.544 -4.380
234 1HA GLY 36 HA2 GLY 36 65.793 -5.723 -3.638
235 2HA GLY 36 HA1 GLY 36 64.948 -4.941 -2.300
236 H SER 37 HN SER 37 63.123 -6.294 -3.026
237 HA SER 37 HA SER 37 61.864 -5.750 -5.532
238 1HB SER 37 HB2 SER 37 60.265 -6.691 -3.186
239 2HB SER 37 HB1 SER 37 60.228 -7.244 -4.860
240 HG SER 37 HG SER 37 62.372 -8.152 -4.390
241 H ALA 38 HN ALA 38 62.218 -4.179 -2.595
242 HA ALA 38 HA ALA 38 60.394 -2.045 -3.360
243 1HB ALA 38 HB1 ALA 38 60.008 -3.872 -1.145
244 2HB ALA 38 HB2 ALA 38 58.911 -2.662 -1.811
245 3HB ALA 38 HB3 ALA 38 60.119 -2.195 -0.614
246 H CYS 39 HN CYS 39 62.025 -2.766 -0.324
247 HA CYS 39 HA CYS 39 64.213 -1.053 -0.907
248 1HB CYS 39 HB2 CYS 39 62.776 -0.173 1.534
249 2HB CYS 39 HB1 CYS 39 63.820 0.735 0.455
250 H GLN 40 HN GLN 40 63.665 -3.823 -0.042
251 HA GLN 40 HA GLN 40 64.371 -4.127 2.686
252 1HB GLN 40 HB2 GLN 40 64.537 -6.465 2.218
253 2HB GLN 40 HB1 GLN 40 63.185 -5.824 1.293
254 1HG GLN 40 HG2 GLN 40 65.325 -5.593 -0.435
255 2HG GLN 40 HG1 GLN 40 65.599 -7.127 0.382
256 1HE2 GLN 40 HE21 GLN 40 62.648 -5.455 -0.585
257 2HE2 GLN 40 HE22 GLN 40 62.027 -6.744 -1.548
258 H ALA 41 HN ALA 41 66.249 -3.868 -0.251
259 HA ALA 41 HA ALA 41 68.693 -4.723 1.036
260 1HB ALA 41 HB1 ALA 41 69.588 -3.778 -1.270
261 2HB ALA 41 HB2 ALA 41 67.887 -3.940 -1.708
262 3HB ALA 41 HB3 ALA 41 68.791 -5.347 -1.152
Start of MODEL 7
1 1H GLU 1 HT1 GLU 1 47.976 15.141 -0.648
2 2H GLU 1 HT2 GLU 1 46.956 15.486 0.688
3 3H GLU 1 HT3 GLU 1 46.309 15.448 -0.901
4 HA GLU 1 HA GLU 1 47.235 13.240 0.783
5 1HB GLU 1 HB2 GLU 1 44.781 14.379 0.327
6 2HB GLU 1 HB1 GLU 1 44.793 13.074 -0.850
7 1HG GLU 1 HG2 GLU 1 45.519 11.589 1.119
8 2HG GLU 1 HG1 GLU 1 44.956 12.918 2.131
9 H CYS 2 HN CYS 2 46.691 11.091 -0.428
10 HA CYS 2 HA CYS 2 47.606 11.213 -3.213
11 1HB CYS 2 HB2 CYS 2 49.341 10.573 -1.220
12 2HB CYS 2 HB1 CYS 2 48.714 8.978 -1.632
13 H ASP 3 HN ASP 3 47.755 8.473 -3.694
14 HA ASP 3 HA ASP 3 45.626 6.988 -2.684
15 1HB ASP 3 HB2 ASP 3 44.207 8.677 -3.669
16 2HB ASP 3 HB1 ASP 3 44.950 8.404 -5.240
17 H THR 4 HN THR 4 48.233 7.197 -4.681
18 HA THR 4 HA THR 4 47.643 4.811 -6.238
19 HB THR 4 HB THR 4 50.356 5.231 -6.493
20 HG1 THR 4 HG1 THR 4 49.165 7.795 -6.334
21 1HG2 THR 4 HG21 THR 4 49.633 5.228 -8.582
22 2HG2 THR 4 HG22 THR 4 49.291 6.947 -8.388
23 3HG2 THR 4 HG23 THR 4 48.023 5.756 -8.097
24 H ILE 5 HN ILE 5 47.151 4.111 -3.888
25 HA ILE 5 HA ILE 5 49.409 3.262 -2.357
26 HB ILE 5 HB ILE 5 48.021 3.108 -0.582
27 1HG1 ILE 5 HG12 ILE 5 46.751 1.143 -1.442
28 2HG1 ILE 5 HG11 ILE 5 45.734 2.278 -0.571
29 1HG2 ILE 5 HG21 ILE 5 47.595 5.291 -1.792
30 2HG2 ILE 5 HG22 ILE 5 46.404 4.814 -0.583
31 3HG2 ILE 5 HG23 ILE 5 46.055 4.595 -2.297
32 1HD1 ILE 5 HD11 ILE 5 45.954 2.450 -3.539
33 2HD1 ILE 5 HD12 ILE 5 44.654 2.992 -2.478
34 3HD1 ILE 5 HD13 ILE 5 44.884 1.270 -2.783
35 H ASN 6 HN ASN 6 50.423 1.834 -3.490
36 HA ASN 6 HA ASN 6 49.310 -0.820 -3.603
37 1HB ASN 6 HB2 ASN 6 49.033 0.900 -5.755
38 2HB ASN 6 HB1 ASN 6 50.446 -0.063 -6.184
39 1HD2 ASN 6 HD21 ASN 6 47.145 -0.317 -4.990
40 2HD2 ASN 6 HD22 ASN 6 46.767 -1.805 -5.785
41 H CYS 7 HN CYS 7 51.266 0.415 -2.095
42 HA CYS 7 HA CYS 7 53.855 0.539 -2.648
43 1HB CYS 7 HB2 CYS 7 52.894 -1.133 -0.332
44 2HB CYS 7 HB1 CYS 7 54.350 -0.150 -0.409
45 H GLU 8 HN GLU 8 55.650 -0.759 -2.836
46 HA GLU 8 HA GLU 8 55.157 -3.426 -3.920
47 1HB GLU 8 HB2 GLU 8 57.857 -2.134 -3.701
48 2HB GLU 8 HB1 GLU 8 57.302 -3.315 -4.872
49 1HG GLU 8 HG2 GLU 8 56.883 -1.683 -6.300
50 2HG GLU 8 HG1 GLU 8 55.684 -1.027 -5.187
51 H ARG 9 HN ARG 9 55.360 -5.163 -2.636
52 HA ARG 9 HA ARG 9 56.699 -4.798 -0.077
53 1HB ARG 9 HB2 ARG 9 55.046 -7.149 -0.967
54 2HB ARG 9 HB1 ARG 9 55.616 -6.813 0.663
55 1HG ARG 9 HG2 ARG 9 53.968 -5.351 1.077
56 2HG ARG 9 HG1 ARG 9 54.018 -4.674 -0.553
57 1HD ARG 9 HD2 ARG 9 52.717 -7.263 0.283
58 2HD ARG 9 HD1 ARG 9 51.893 -5.774 -0.177
59 HE ARG 9 HE ARG 9 53.596 -6.616 -2.264
60 1HH1 ARG 9 HH11 ARG 9 50.583 -7.454 -0.714
61 2HH1 ARG 9 HH12 ARG 9 49.912 -8.185 -2.133
62 1HH2 ARG 9 HH21 ARG 9 52.714 -7.576 -4.132
63 2HH2 ARG 9 HH22 ARG 9 51.121 -8.254 -4.074
64 H TYR 10 HN TYR 10 58.482 -5.663 0.505
65 HA TYR 10 HA TYR 10 60.017 -7.152 -1.424
66 1HB TYR 10 HB2 TYR 10 61.899 -6.651 -0.112
67 2HB TYR 10 HB1 TYR 10 60.873 -5.242 0.045
68 HD1 TYR 10 HD1 TYR 10 59.055 -5.655 2.058
69 HD2 TYR 10 HD2 TYR 10 62.981 -7.248 1.791
70 HE1 TYR 10 HE1 TYR 10 59.125 -5.841 4.482
71 HE2 TYR 10 HE2 TYR 10 63.071 -7.432 4.235
72 HH TYR 10 HH TYR 10 61.423 -5.924 6.268
73 H ASN 11 HN ASN 11 58.459 -7.684 1.561
74 HA ASN 11 HA ASN 11 58.599 -10.543 1.228
75 1HB ASN 11 HB2 ASN 11 60.525 -9.270 2.865
76 2HB ASN 11 HB1 ASN 11 59.393 -10.071 3.950
77 1HD2 ASN 11 HD21 ASN 11 62.248 -10.532 2.797
78 2HD2 ASN 11 HD22 ASN 11 62.242 -12.226 2.456
79 H GLY 12 HN GLY 12 58.116 -8.604 4.172
80 1HA GLY 12 HA2 GLY 12 55.229 -9.029 3.982
81 2HA GLY 12 HA1 GLY 12 56.056 -9.757 5.348
82 H GLN 13 HN GLN 13 57.378 -6.778 4.277
83 HA GLN 13 HA GLN 13 55.978 -5.376 6.471
84 1HB GLN 13 HB2 GLN 13 58.727 -4.604 5.517
85 2HB GLN 13 HB1 GLN 13 57.936 -4.214 7.044
86 1HG GLN 13 HG2 GLN 13 58.945 -6.926 6.218
87 2HG GLN 13 HG1 GLN 13 59.704 -5.835 7.376
88 1HE2 GLN 13 HE21 GLN 13 57.720 -8.455 7.038
89 2HE2 GLN 13 HE22 GLN 13 56.948 -8.426 8.584
90 H VAL 14 HN VAL 14 56.821 -5.428 3.169
91 HA VAL 14 HA VAL 14 56.199 -4.131 1.430
92 HB VAL 14 HB VAL 14 54.796 -2.125 3.124
93 1HG1 VAL 14 HG11 VAL 14 54.282 -1.536 1.041
94 2HG1 VAL 14 HG12 VAL 14 53.146 -2.883 1.084
95 3HG1 VAL 14 HG13 VAL 14 54.747 -3.101 0.378
96 1HG2 VAL 14 HG21 VAL 14 52.800 -3.894 2.784
97 2HG2 VAL 14 HG22 VAL 14 53.768 -3.798 4.256
98 3HG2 VAL 14 HG23 VAL 14 54.147 -5.007 3.029
99 H CYS 15 HN CYS 15 58.265 -3.466 0.998
100 HA CYS 15 HA CYS 15 59.469 -1.556 0.307
101 1HB CYS 15 HB2 CYS 15 57.779 -0.115 1.594
102 2HB CYS 15 HB1 CYS 15 58.861 -0.292 2.967
103 H GLY 16 HN GLY 16 60.249 -3.961 1.670
104 1HA GLY 16 HA2 GLY 16 62.094 -4.834 2.724
105 2HA GLY 16 HA1 GLY 16 62.910 -3.376 2.233
106 H GLY 17 HN GLY 17 60.199 -3.756 4.482
107 1HA GLY 17 HA2 GLY 17 60.105 -3.520 6.778
108 2HA GLY 17 HA1 GLY 17 61.858 -3.462 6.810
109 HA PRO 18 HA PRO 18 59.654 0.853 7.200
110 1HB PRO 18 HB2 PRO 18 59.961 0.486 10.114
111 2HB PRO 18 HB1 PRO 18 58.591 1.124 9.200
112 1HG PRO 18 HG2 PRO 18 58.497 -1.294 10.347
113 2HG PRO 18 HG1 PRO 18 57.718 -0.976 8.786
114 1HD PRO 18 HD2 PRO 18 60.311 -2.357 9.367
115 2HD PRO 18 HD1 PRO 18 59.056 -2.766 8.179
116 H GLY 19 HN GLY 19 62.075 -0.618 9.366
117 1HA GLY 19 HA2 GLY 19 63.588 1.592 9.994
118 2HA GLY 19 HA1 GLY 19 64.256 -0.022 9.797
119 H ARG 20 HN ARG 20 63.510 -0.172 6.973
120 HA ARG 20 HA ARG 20 65.733 1.401 5.919
121 1HB ARG 20 HB2 ARG 20 64.194 -0.958 4.837
122 2HB ARG 20 HB1 ARG 20 65.382 -0.080 3.893
123 1HG ARG 20 HG2 ARG 20 66.375 -2.051 4.818
124 2HG ARG 20 HG1 ARG 20 67.093 -0.621 5.557
125 1HD ARG 20 HD2 ARG 20 64.752 -1.696 6.959
126 2HD ARG 20 HD1 ARG 20 66.149 -2.765 6.914
127 HE ARG 20 HE ARG 20 66.719 -0.048 7.702
128 1HH1 ARG 20 HH11 ARG 20 65.887 -3.263 8.781
129 2HH1 ARG 20 HH12 ARG 20 66.504 -3.019 10.380
130 1HH2 ARG 20 HH21 ARG 20 67.531 0.271 9.804
131 2HH2 ARG 20 HH22 ARG 20 67.437 -1.014 10.961
132 H GLY 21 HN GLY 21 62.265 1.042 5.667
133 1HA GLY 21 HA2 GLY 21 61.890 3.598 4.574
134 2HA GLY 21 HA1 GLY 21 61.847 2.432 3.262
135 H LEU 22 HN LEU 22 59.705 4.117 4.091
136 HA LEU 22 HA LEU 22 57.786 2.093 4.968
137 1HB LEU 22 HB2 LEU 22 56.508 4.401 5.600
138 2HB LEU 22 HB1 LEU 22 57.410 3.409 6.732
139 HG LEU 22 HG LEU 22 58.996 5.320 5.227
140 1HD1 LEU 22 HD11 LEU 22 57.341 6.453 7.442
141 2HD1 LEU 22 HD12 LEU 22 56.747 6.463 5.781
142 3HD1 LEU 22 HD13 LEU 22 58.248 7.296 6.187
143 1HD2 LEU 22 HD21 LEU 22 59.568 5.736 7.821
144 2HD2 LEU 22 HD22 LEU 22 60.286 4.447 6.855
145 3HD2 LEU 22 HD23 LEU 22 58.909 4.101 7.901
146 H CYS 23 HN CYS 23 55.443 3.504 4.473
147 HA CYS 23 HA CYS 23 55.539 4.325 1.677
148 1HB CYS 23 HB2 CYS 23 55.130 1.775 1.943
149 2HB CYS 23 HB1 CYS 23 53.533 2.249 2.510
150 H PHE 24 HN PHE 24 53.820 5.675 1.032
151 HA PHE 24 HA PHE 24 51.601 6.039 2.847
152 1HB PHE 24 HB2 PHE 24 52.284 8.672 2.793
153 2HB PHE 24 HB1 PHE 24 52.563 7.587 4.142
154 HD1 PHE 24 HD1 PHE 24 54.340 8.334 0.906
155 HD2 PHE 24 HD2 PHE 24 54.574 7.874 5.133
156 HE1 PHE 24 HE1 PHE 24 56.729 8.848 0.839
157 HE2 PHE 24 HE2 PHE 24 56.967 8.383 5.065
158 HZ PHE 24 HZ PHE 24 58.047 8.877 2.922
159 H CYS 25 HN CYS 25 52.570 8.823 1.011
160 HA CYS 25 HA CYS 25 50.217 8.894 -0.463
161 1HB CYS 25 HB2 CYS 25 51.332 10.934 -0.368
162 2HB CYS 25 HB1 CYS 25 52.896 10.212 -0.704
163 H GLY 26 HN GLY 26 49.983 6.699 -1.129
164 1HA GLY 26 HA2 GLY 26 50.262 4.903 -2.517
165 2HA GLY 26 HA1 GLY 26 50.313 6.156 -3.743
166 H LYS 27 HN LYS 27 52.878 5.923 -1.338
167 HA LYS 27 HA LYS 27 54.521 4.361 -3.087
168 1HB LYS 27 HB2 LYS 27 54.457 7.070 -3.571
169 2HB LYS 27 HB1 LYS 27 55.907 6.866 -2.599
170 1HG LYS 27 HG2 LYS 27 56.824 5.315 -4.168
171 2HG LYS 27 HG1 LYS 27 55.314 5.270 -5.079
172 1HD LYS 27 HD2 LYS 27 56.708 6.699 -6.311
173 2HD LYS 27 HD1 LYS 27 55.645 7.782 -5.411
174 1HE LYS 27 HE2 LYS 27 57.324 8.564 -4.104
175 2HE LYS 27 HE1 LYS 27 58.173 7.019 -4.087
176 1HZ LYS 27 HZ1 LYS 27 58.413 9.247 -5.938
177 2HZ LYS 27 HZ2 LYS 27 58.484 7.705 -6.628
178 3HZ LYS 27 HZ3 LYS 27 59.582 8.140 -5.418
179 H CYS 28 HN CYS 28 56.301 3.479 -2.255
180 HA CYS 28 HA CYS 28 56.578 3.690 0.620
181 1HB CYS 28 HB2 CYS 28 57.018 1.501 0.495
182 2HB CYS 28 HB1 CYS 28 56.841 1.583 -1.249
183 H ARG 29 HN ARG 29 57.819 5.219 1.372
184 HA ARG 29 HA ARG 29 60.038 6.242 -0.204
185 1HB ARG 29 HB2 ARG 29 58.168 7.639 0.899
186 2HB ARG 29 HB1 ARG 29 59.063 7.385 2.390
187 1HG ARG 29 HG2 ARG 29 60.922 8.561 1.586
188 2HG ARG 29 HG1 ARG 29 60.323 8.529 -0.069
189 1HD ARG 29 HD2 ARG 29 59.677 10.632 0.413
190 2HD ARG 29 HD1 ARG 29 58.298 9.814 1.140
191 HE ARG 29 HE ARG 29 58.991 10.610 3.151
192 1HH1 ARG 29 HH11 ARG 29 61.764 10.462 1.038
193 2HH1 ARG 29 HH12 ARG 29 62.840 11.170 2.196
194 1HH2 ARG 29 HH21 ARG 29 60.404 11.543 4.675
195 2HH2 ARG 29 HH22 ARG 29 62.068 11.783 4.261
196 H CYS 30 HN CYS 30 61.762 4.982 0.100
197 HA CYS 30 HA CYS 30 62.545 4.225 2.812
198 1HB CYS 30 HB2 CYS 30 64.409 2.980 1.521
199 2HB CYS 30 HB1 CYS 30 62.770 2.354 1.436
200 H HIS 31 HN HIS 31 64.881 4.387 3.363
201 HA HIS 31 HA HIS 31 65.732 7.102 3.072
202 1HB HIS 31 HB2 HIS 31 67.473 4.926 4.194
203 2HB HIS 31 HB1 HIS 31 67.368 6.615 4.674
204 HD1 HIS 31 HD1 HIS 31 64.318 6.788 5.156
205 HD2 HIS 31 HD2 HIS 31 66.741 3.702 6.526
206 HE1 HIS 31 HE1 HIS 31 63.090 5.783 7.107
207 HE2 HIS 31 HE2 HIS 31 64.526 3.852 7.850
208 HA PRO 32 HA PRO 32 68.459 6.929 -0.370
209 1HB PRO 32 HB2 PRO 32 70.588 8.201 1.215
210 2HB PRO 32 HB1 PRO 32 69.760 8.792 -0.228
211 1HG PRO 32 HG2 PRO 32 69.299 9.869 2.185
212 2HG PRO 32 HG1 PRO 32 68.009 9.695 0.982
213 1HD PRO 32 HD2 PRO 32 68.578 8.031 3.402
214 2HD PRO 32 HD1 PRO 32 67.020 8.566 2.739
215 H GLY 33 HN GLY 33 69.163 5.054 -0.931
216 1HA GLY 33 HA2 GLY 33 71.246 3.839 -1.206
217 2HA GLY 33 HA1 GLY 33 71.458 3.925 0.533
218 H PHE 34 HN PHE 34 68.296 3.289 -0.746
219 HA PHE 34 HA PHE 34 68.612 0.439 -0.080
220 1HB PHE 34 HB2 PHE 34 66.399 2.332 0.684
221 2HB PHE 34 HB1 PHE 34 66.176 0.587 0.688
222 HD1 PHE 34 HD1 PHE 34 66.835 3.258 2.728
223 HD2 PHE 34 HD2 PHE 34 68.279 -0.657 1.898
224 HE1 PHE 34 HE1 PHE 34 67.811 3.144 4.983
225 HE2 PHE 34 HE2 PHE 34 69.256 -0.780 4.153
226 HZ PHE 34 HZ PHE 34 69.023 1.124 5.698
227 H GLU 35 HN GLU 35 67.357 -1.039 -1.287
228 HA GLU 35 HA GLU 35 65.650 -0.057 -3.392
229 1HB GLU 35 HB2 GLU 35 68.416 -1.009 -3.912
230 2HB GLU 35 HB1 GLU 35 67.169 -1.543 -5.028
231 1HG GLU 35 HG2 GLU 35 66.742 1.189 -4.701
232 2HG GLU 35 HG1 GLU 35 68.490 0.997 -4.823
233 H GLY 36 HN GLY 36 67.367 -3.081 -3.844
234 1HA GLY 36 HA2 GLY 36 66.671 -5.272 -3.643
235 2HA GLY 36 HA1 GLY 36 65.572 -4.724 -2.376
236 H SER 37 HN SER 37 63.808 -5.901 -3.004
237 HA SER 37 HA SER 37 62.783 -5.580 -5.721
238 1HB SER 37 HB2 SER 37 62.657 -7.833 -4.763
239 2HB SER 37 HB1 SER 37 61.765 -7.215 -3.373
240 HG SER 37 HG SER 37 60.035 -7.480 -4.514
241 H ALA 38 HN ALA 38 62.839 -3.977 -2.916
242 HA ALA 38 HA ALA 38 60.504 -2.368 -3.530
243 1HB ALA 38 HB1 ALA 38 59.645 -2.457 -1.314
244 2HB ALA 38 HB2 ALA 38 60.998 -3.445 -0.769
245 3HB ALA 38 HB3 ALA 38 59.812 -4.114 -1.885
246 H CYS 39 HN CYS 39 62.471 -2.633 -0.607
247 HA CYS 39 HA CYS 39 64.169 -0.515 -1.393
248 1HB CYS 39 HB2 CYS 39 61.934 -0.006 0.491
249 2HB CYS 39 HB1 CYS 39 63.470 0.803 0.767
250 H GLN 40 HN GLN 40 64.671 -3.157 -0.611
251 HA GLN 40 HA GLN 40 65.784 -2.887 2.101
252 1HB GLN 40 HB2 GLN 40 65.886 -5.308 2.158
253 2HB GLN 40 HB1 GLN 40 64.268 -4.792 1.700
254 1HG GLN 40 HG2 GLN 40 66.106 -5.287 -0.537
255 2HG GLN 40 HG1 GLN 40 65.682 -6.701 0.412
256 1HE2 GLN 40 HE21 GLN 40 64.393 -7.685 -1.072
257 2HE2 GLN 40 HE22 GLN 40 62.899 -7.020 -1.636
258 H ALA 41 HN ALA 41 66.683 -3.599 -1.217
259 HA ALA 41 HA ALA 41 69.459 -4.043 -0.416
260 1HB ALA 41 HB1 ALA 41 69.680 -5.334 -2.242
261 2HB ALA 41 HB2 ALA 41 68.731 -4.250 -3.256
262 3HB ALA 41 HB3 ALA 41 67.920 -5.380 -2.172
Start of MODEL 8
1 1H GLU 1 HT1 GLU 1 46.384 10.722 3.077
2 2H GLU 1 HT2 GLU 1 47.122 11.889 2.057
3 3H GLU 1 HT3 GLU 1 47.850 10.349 2.271
4 HA GLU 1 HA GLU 1 46.228 9.272 1.081
5 1HB GLU 1 HB2 GLU 1 44.465 10.811 2.249
6 2HB GLU 1 HB1 GLU 1 44.631 11.798 0.804
7 1HG GLU 1 HG2 GLU 1 43.862 10.044 -0.591
8 2HG GLU 1 HG1 GLU 1 43.964 8.870 0.720
9 H CYS 2 HN CYS 2 46.437 9.073 -1.110
10 HA CYS 2 HA CYS 2 47.199 11.400 -2.689
11 1HB CYS 2 HB2 CYS 2 49.326 10.486 -1.861
12 2HB CYS 2 HB1 CYS 2 48.923 8.912 -2.535
13 H ASP 3 HN ASP 3 47.085 7.840 -2.993
14 HA ASP 3 HA ASP 3 44.859 7.901 -4.767
15 1HB ASP 3 HB2 ASP 3 45.960 7.232 -6.805
16 2HB ASP 3 HB1 ASP 3 46.698 8.727 -6.241
17 H THR 4 HN THR 4 45.444 5.493 -6.178
18 HA THR 4 HA THR 4 45.109 3.588 -4.013
19 HB THR 4 HB THR 4 44.998 2.053 -6.225
20 HG1 THR 4 HG1 THR 4 44.322 3.175 -7.958
21 1HG2 THR 4 HG21 THR 4 42.867 1.858 -5.674
22 2HG2 THR 4 HG22 THR 4 42.533 3.530 -6.127
23 3HG2 THR 4 HG23 THR 4 43.116 3.155 -4.505
24 H ILE 5 HN ILE 5 47.196 3.584 -3.130
25 HA ILE 5 HA ILE 5 49.025 1.781 -4.417
26 HB ILE 5 HB ILE 5 50.965 3.190 -4.372
27 1HG1 ILE 5 HG12 ILE 5 50.808 4.776 -2.695
28 2HG1 ILE 5 HG11 ILE 5 50.467 5.761 -4.106
29 1HG2 ILE 5 HG21 ILE 5 50.480 4.654 -6.217
30 2HG2 ILE 5 HG22 ILE 5 48.763 4.652 -5.815
31 3HG2 ILE 5 HG23 ILE 5 49.536 3.175 -6.388
32 1HD1 ILE 5 HD11 ILE 5 48.490 4.677 -2.131
33 2HD1 ILE 5 HD12 ILE 5 48.049 5.463 -3.644
34 3HD1 ILE 5 HD13 ILE 5 48.931 6.360 -2.411
35 H ASN 6 HN ASN 6 48.257 0.662 -2.609
36 HA ASN 6 HA ASN 6 48.854 1.647 0.017
37 1HB ASN 6 HB2 ASN 6 47.712 -0.322 0.784
38 2HB ASN 6 HB1 ASN 6 46.805 0.397 -0.542
39 1HD2 ASN 6 HD21 ASN 6 46.895 -0.578 -2.598
40 2HD2 ASN 6 HD22 ASN 6 47.266 -2.256 -2.769
41 H CYS 7 HN CYS 7 51.129 1.838 -0.463
42 HA CYS 7 HA CYS 7 53.299 1.270 -0.349
43 1HB CYS 7 HB2 CYS 7 52.094 -0.620 1.626
44 2HB CYS 7 HB1 CYS 7 53.793 -0.169 1.587
45 H GLU 8 HN GLU 8 54.943 -0.117 -0.936
46 HA GLU 8 HA GLU 8 54.117 -2.389 -2.589
47 1HB GLU 8 HB2 GLU 8 56.897 -1.232 -2.322
48 2HB GLU 8 HB1 GLU 8 56.275 -2.244 -3.616
49 1HG GLU 8 HG2 GLU 8 55.367 0.567 -3.036
50 2HG GLU 8 HG1 GLU 8 56.530 0.107 -4.278
51 H ARG 9 HN ARG 9 54.540 -4.484 -1.980
52 HA ARG 9 HA ARG 9 56.025 -4.795 0.521
53 1HB ARG 9 HB2 ARG 9 54.249 -6.806 -0.820
54 2HB ARG 9 HB1 ARG 9 55.008 -6.977 0.755
55 1HG ARG 9 HG2 ARG 9 53.458 -5.714 1.774
56 2HG ARG 9 HG1 ARG 9 53.341 -4.582 0.428
57 1HD ARG 9 HD2 ARG 9 51.303 -6.066 0.994
58 2HD ARG 9 HD1 ARG 9 51.776 -5.872 -0.693
59 HE ARG 9 HE ARG 9 52.174 -8.113 -0.771
60 1HH1 ARG 9 HH11 ARG 9 52.286 -7.107 2.569
61 2HH1 ARG 9 HH12 ARG 9 52.477 -8.716 3.177
62 1HH2 ARG 9 HH21 ARG 9 52.422 -10.229 0.026
63 2HH2 ARG 9 HH22 ARG 9 52.554 -10.490 1.732
64 H TYR 10 HN TYR 10 57.831 -5.758 0.684
65 HA TYR 10 HA TYR 10 59.174 -6.665 -1.698
66 1HB TYR 10 HB2 TYR 10 61.193 -6.311 -0.511
67 2HB TYR 10 HB1 TYR 10 60.131 -5.004 -0.036
68 HD1 TYR 10 HD1 TYR 10 62.523 -7.017 1.161
69 HD2 TYR 10 HD2 TYR 10 58.518 -5.927 2.051
70 HE1 TYR 10 HE1 TYR 10 62.904 -7.545 3.519
71 HE2 TYR 10 HE2 TYR 10 58.874 -6.458 4.404
72 HH TYR 10 HH TYR 10 61.391 -6.566 5.913
73 H ASN 11 HN ASN 11 57.977 -7.894 1.238
74 HA ASN 11 HA ASN 11 58.261 -10.610 0.317
75 1HB ASN 11 HB2 ASN 11 60.112 -9.484 2.269
76 2HB ASN 11 HB1 ASN 11 59.271 -10.903 2.886
77 1HD2 ASN 11 HD21 ASN 11 61.995 -10.873 2.456
78 2HD2 ASN 11 HD22 ASN 11 62.377 -11.946 1.157
79 H GLY 12 HN GLY 12 58.025 -9.573 3.683
80 1HA GLY 12 HA2 GLY 12 55.249 -10.575 3.700
81 2HA GLY 12 HA1 GLY 12 56.339 -10.636 5.078
82 H GLN 13 HN GLN 13 57.184 -7.797 4.129
83 HA GLN 13 HA GLN 13 54.995 -6.395 5.497
84 1HB GLN 13 HB2 GLN 13 57.874 -5.501 5.239
85 2HB GLN 13 HB1 GLN 13 56.633 -4.803 6.271
86 1HG GLN 13 HG2 GLN 13 57.329 -6.107 7.900
87 2HG GLN 13 HG1 GLN 13 56.732 -7.489 6.994
88 1HE2 GLN 13 HE21 GLN 13 58.151 -8.826 5.977
89 2HE2 GLN 13 HE22 GLN 13 59.864 -8.721 6.172
90 H VAL 14 HN VAL 14 55.925 -3.789 4.778
91 HA VAL 14 HA VAL 14 55.525 -3.867 1.871
92 HB VAL 14 HB VAL 14 54.158 -1.862 1.995
93 1HG1 VAL 14 HG11 VAL 14 52.652 -3.532 1.971
94 2HG1 VAL 14 HG12 VAL 14 52.330 -2.999 3.622
95 3HG1 VAL 14 HG13 VAL 14 53.402 -4.368 3.330
96 1HG2 VAL 14 HG21 VAL 14 54.969 -1.939 4.834
97 2HG2 VAL 14 HG22 VAL 14 53.302 -1.462 4.510
98 3HG2 VAL 14 HG23 VAL 14 54.634 -0.560 3.787
99 H CYS 15 HN CYS 15 57.431 -3.375 1.083
100 HA CYS 15 HA CYS 15 59.031 -1.916 0.324
101 1HB CYS 15 HB2 CYS 15 57.446 -0.156 1.574
102 2HB CYS 15 HB1 CYS 15 58.871 -0.065 2.603
103 H GLY 16 HN GLY 16 59.670 -4.124 1.751
104 1HA GLY 16 HA2 GLY 16 61.339 -5.028 3.059
105 2HA GLY 16 HA1 GLY 16 62.263 -3.627 2.609
106 H GLY 17 HN GLY 17 59.253 -3.466 4.361
107 1HA GLY 17 HA2 GLY 17 58.736 -2.978 6.545
108 2HA GLY 17 HA1 GLY 17 60.383 -3.386 6.984
109 HA PRO 18 HA PRO 18 59.349 1.394 6.632
110 1HB PRO 18 HB2 PRO 18 58.933 1.204 9.562
111 2HB PRO 18 HB1 PRO 18 58.064 2.162 8.359
112 1HG PRO 18 HG2 PRO 18 56.965 -0.020 9.444
113 2HG PRO 18 HG1 PRO 18 56.700 0.400 7.743
114 1HD PRO 18 HD2 PRO 18 58.484 -1.682 8.928
115 2HD PRO 18 HD1 PRO 18 57.521 -1.735 7.438
116 H GLY 19 HN GLY 19 60.945 -0.589 9.103
117 1HA GLY 19 HA2 GLY 19 62.770 1.183 10.151
118 2HA GLY 19 HA1 GLY 19 63.118 -0.519 9.878
119 H ARG 20 HN ARG 20 62.715 -0.228 6.980
120 HA ARG 20 HA ARG 20 65.330 0.940 6.328
121 1HB ARG 20 HB2 ARG 20 63.784 -0.693 4.370
122 2HB ARG 20 HB1 ARG 20 65.518 -0.588 4.614
123 1HG ARG 20 HG2 ARG 20 63.648 -1.949 6.536
124 2HG ARG 20 HG1 ARG 20 64.483 -2.777 5.221
125 1HD ARG 20 HD2 ARG 20 66.310 -1.174 6.783
126 2HD ARG 20 HD1 ARG 20 65.438 -2.322 7.797
127 HE ARG 20 HE ARG 20 66.521 -3.469 5.391
128 1HH1 ARG 20 HH11 ARG 20 67.156 -2.669 8.728
129 2HH1 ARG 20 HH12 ARG 20 68.405 -3.854 8.906
130 1HH2 ARG 20 HH21 ARG 20 68.164 -5.031 5.623
131 2HH2 ARG 20 HH22 ARG 20 68.977 -5.196 7.142
132 H GLY 21 HN GLY 21 61.918 0.982 5.507
133 1HA GLY 21 HA2 GLY 21 61.891 3.658 4.699
134 2HA GLY 21 HA1 GLY 21 62.075 2.670 3.259
135 H LEU 22 HN LEU 22 59.856 4.394 3.997
136 HA LEU 22 HA LEU 22 57.735 2.391 4.226
137 1HB LEU 22 HB2 LEU 22 56.294 4.433 4.826
138 2HB LEU 22 HB1 LEU 22 57.364 3.756 6.044
139 HG LEU 22 HG LEU 22 58.582 5.780 4.378
140 1HD1 LEU 22 HD11 LEU 22 57.476 7.674 5.510
141 2HD1 LEU 22 HD12 LEU 22 56.328 6.542 6.226
142 3HD1 LEU 22 HD13 LEU 22 56.372 6.765 4.477
143 1HD2 LEU 22 HD21 LEU 22 59.616 6.436 6.393
144 2HD2 LEU 22 HD22 LEU 22 59.490 4.679 6.475
145 3HD2 LEU 22 HD23 LEU 22 58.353 5.688 7.371
146 H CYS 23 HN CYS 23 55.602 3.302 3.185
147 HA CYS 23 HA CYS 23 56.331 3.990 0.439
148 1HB CYS 23 HB2 CYS 23 54.465 2.867 -0.299
149 2HB CYS 23 HB1 CYS 23 54.837 1.952 1.155
150 H PHE 24 HN PHE 24 55.055 5.575 -0.750
151 HA PHE 24 HA PHE 24 53.636 7.464 0.986
152 1HB PHE 24 HB2 PHE 24 56.150 7.960 -0.487
153 2HB PHE 24 HB1 PHE 24 54.928 9.221 -0.606
154 HD1 PHE 24 HD1 PHE 24 54.106 10.351 1.443
155 HD2 PHE 24 HD2 PHE 24 57.317 7.570 1.458
156 HE1 PHE 24 HE1 PHE 24 54.783 11.135 3.691
157 HE2 PHE 24 HE2 PHE 24 58.008 8.339 3.697
158 HZ PHE 24 HZ PHE 24 56.732 10.124 4.816
159 H CYS 25 HN CYS 25 53.063 9.402 -0.534
160 HA CYS 25 HA CYS 25 50.882 8.752 -2.023
161 1HB CYS 25 HB2 CYS 25 51.112 10.961 -1.346
162 2HB CYS 25 HB1 CYS 25 52.785 11.058 -1.894
163 H GLY 26 HN GLY 26 51.670 6.848 -3.213
164 1HA GLY 26 HA2 GLY 26 51.935 5.944 -5.331
165 2HA GLY 26 HA1 GLY 26 52.313 7.546 -5.936
166 H LYS 27 HN LYS 27 54.140 6.459 -3.198
167 HA LYS 27 HA LYS 27 56.230 5.285 -4.796
168 1HB LYS 27 HB2 LYS 27 57.184 7.625 -3.239
169 2HB LYS 27 HB1 LYS 27 57.830 6.923 -4.713
170 1HG LYS 27 HG2 LYS 27 56.226 8.022 -6.055
171 2HG LYS 27 HG1 LYS 27 55.259 8.479 -4.651
172 1HD LYS 27 HD2 LYS 27 56.487 10.403 -5.437
173 2HD LYS 27 HD1 LYS 27 57.130 9.899 -3.873
174 1HE LYS 27 HE2 LYS 27 59.039 10.310 -5.136
175 2HE LYS 27 HE1 LYS 27 58.844 8.562 -5.247
176 1HZ LYS 27 HZ1 LYS 27 58.656 10.573 -7.311
177 2HZ LYS 27 HZ2 LYS 27 57.429 9.411 -7.362
178 3HZ LYS 27 HZ3 LYS 27 59.049 8.931 -7.431
179 H CYS 28 HN CYS 28 58.371 5.600 -3.087
180 HA CYS 28 HA CYS 28 57.531 4.688 -0.459
181 1HB CYS 28 HB2 CYS 28 58.274 2.838 -2.455
182 2HB CYS 28 HB1 CYS 28 59.663 2.965 -1.382
183 H ARG 29 HN ARG 29 58.626 5.924 0.903
184 HA ARG 29 HA ARG 29 61.089 7.192 0.081
185 1HB ARG 29 HB2 ARG 29 59.125 7.535 2.263
186 2HB ARG 29 HB1 ARG 29 60.787 7.943 2.669
187 1HG ARG 29 HG2 ARG 29 60.085 9.068 0.121
188 2HG ARG 29 HG1 ARG 29 58.907 9.537 1.350
189 1HD ARG 29 HD2 ARG 29 60.398 11.167 1.789
190 2HD ARG 29 HD1 ARG 29 61.205 9.902 2.716
191 HE ARG 29 HE ARG 29 62.103 9.819 0.054
192 1HH1 ARG 29 HH11 ARG 29 62.333 11.817 2.905
193 2HH1 ARG 29 HH12 ARG 29 63.888 12.451 2.488
194 1HH2 ARG 29 HH21 ARG 29 64.150 10.651 -0.497
195 2HH2 ARG 29 HH22 ARG 29 64.921 11.790 0.557
196 H CYS 30 HN CYS 30 62.521 5.471 -0.064
197 HA CYS 30 HA CYS 30 63.044 3.825 2.255
198 1HB CYS 30 HB2 CYS 30 63.262 2.701 0.145
199 2HB CYS 30 HB1 CYS 30 64.306 3.959 -0.489
200 H HIS 31 HN HIS 31 65.128 3.678 3.272
201 HA HIS 31 HA HIS 31 66.314 6.262 3.724
202 1HB HIS 31 HB2 HIS 31 67.185 3.569 4.795
203 2HB HIS 31 HB1 HIS 31 67.648 5.149 5.421
204 HD1 HIS 31 HD1 HIS 31 64.667 6.311 5.294
205 HD2 HIS 31 HD2 HIS 31 65.877 2.772 7.106
206 HE1 HIS 31 HE1 HIS 31 62.913 5.808 7.025
207 HE2 HIS 31 HE2 HIS 31 63.711 3.707 8.166
208 HA PRO 32 HA PRO 32 69.661 6.089 0.874
209 1HB PRO 32 HB2 PRO 32 71.504 6.953 3.001
210 2HB PRO 32 HB1 PRO 32 71.076 7.761 1.491
211 1HG PRO 32 HG2 PRO 32 70.199 8.669 3.857
212 2HG PRO 32 HG1 PRO 32 69.196 8.755 2.398
213 1HD PRO 32 HD2 PRO 32 69.054 6.835 4.686
214 2HD PRO 32 HD1 PRO 32 67.738 7.601 3.770
215 H GLY 33 HN GLY 33 70.296 4.203 0.253
216 1HA GLY 33 HA2 GLY 33 72.264 2.792 0.259
217 2HA GLY 33 HA1 GLY 33 72.131 2.706 2.005
218 H PHE 34 HN PHE 34 69.329 2.461 -0.094
219 HA PHE 34 HA PHE 34 69.246 -0.438 0.402
220 1HB PHE 34 HB2 PHE 34 67.265 1.658 1.094
221 2HB PHE 34 HB1 PHE 34 66.621 0.129 0.519
222 HD1 PHE 34 HD1 PHE 34 67.537 -1.996 1.726
223 HD2 PHE 34 HD2 PHE 34 67.775 1.943 3.323
224 HE1 PHE 34 HE1 PHE 34 67.819 -2.932 3.982
225 HE2 PHE 34 HE2 PHE 34 68.057 1.012 5.582
226 HZ PHE 34 HZ PHE 34 68.081 -1.427 5.914
227 H GLU 35 HN GLU 35 67.673 -1.572 -1.041
228 HA GLU 35 HA GLU 35 66.938 -0.203 -3.478
229 1HB GLU 35 HB2 GLU 35 69.182 -2.175 -3.351
230 2HB GLU 35 HB1 GLU 35 68.156 -2.142 -4.779
231 1HG GLU 35 HG2 GLU 35 68.766 0.515 -4.359
232 2HG GLU 35 HG1 GLU 35 70.260 -0.328 -3.953
233 H GLY 36 HN GLY 36 67.564 -3.670 -3.341
234 1HA GLY 36 HA2 GLY 36 66.105 -5.439 -3.612
235 2HA GLY 36 HA1 GLY 36 65.204 -4.649 -2.318
236 H SER 37 HN SER 37 63.221 -5.329 -3.212
237 HA SER 37 HA SER 37 62.493 -4.224 -5.820
238 1HB SER 37 HB2 SER 37 60.573 -5.613 -5.745
239 2HB SER 37 HB1 SER 37 61.846 -6.603 -5.032
240 HG SER 37 HG SER 37 59.616 -6.225 -3.940
241 H ALA 38 HN ALA 38 62.814 -3.205 -2.801
242 HA ALA 38 HA ALA 38 60.962 -1.013 -3.091
243 1HB ALA 38 HB1 ALA 38 60.633 -1.828 -0.432
244 2HB ALA 38 HB2 ALA 38 60.391 -3.266 -1.422
245 3HB ALA 38 HB3 ALA 38 59.423 -1.821 -1.713
246 H CYS 39 HN CYS 39 62.489 -2.381 -0.211
247 HA CYS 39 HA CYS 39 64.676 -0.572 -0.356
248 1HB CYS 39 HB2 CYS 39 62.931 0.908 0.513
249 2HB CYS 39 HB1 CYS 39 62.644 -0.208 1.839
250 H GLN 40 HN GLN 40 64.483 -3.411 -0.206
251 HA GLN 40 HA GLN 40 65.202 -4.067 2.542
252 1HB GLN 40 HB2 GLN 40 64.908 -6.317 2.003
253 2HB GLN 40 HB1 GLN 40 63.674 -5.488 1.069
254 1HG GLN 40 HG2 GLN 40 65.860 -5.588 -0.632
255 2HG GLN 40 HG1 GLN 40 65.863 -7.148 0.182
256 1HE2 GLN 40 HE21 GLN 40 63.214 -5.035 -0.772
257 2HE2 GLN 40 HE22 GLN 40 62.429 -6.187 -1.788
258 H ALA 41 HN ALA 41 66.754 -3.864 -0.617
259 HA ALA 41 HA ALA 41 69.238 -4.920 0.478
260 1HB ALA 41 HB1 ALA 41 69.868 -5.359 -1.641
261 2HB ALA 41 HB2 ALA 41 69.214 -3.846 -2.266
262 3HB ALA 41 HB3 ALA 41 68.139 -5.208 -1.956
Start of MODEL 9
1 1H GLU 1 HT1 GLU 1 48.314 13.907 -5.755
2 2H GLU 1 HT2 GLU 1 49.264 15.300 -6.079
3 3H GLU 1 HT3 GLU 1 49.073 14.744 -4.466
4 HA GLU 1 HA GLU 1 50.608 13.573 -6.667
5 1HB GLU 1 HB2 GLU 1 51.084 14.861 -4.050
6 2HB GLU 1 HB1 GLU 1 52.090 13.460 -4.392
7 1HG GLU 1 HG2 GLU 1 52.852 14.493 -6.458
8 2HG GLU 1 HG1 GLU 1 51.820 15.888 -6.151
9 H CYS 2 HN CYS 2 48.545 12.819 -4.011
10 HA CYS 2 HA CYS 2 49.594 10.091 -3.844
11 1HB CYS 2 HB2 CYS 2 47.308 10.757 -2.121
12 2HB CYS 2 HB1 CYS 2 48.846 9.999 -1.711
13 H ASP 3 HN ASP 3 48.108 8.280 -3.929
14 HA ASP 3 HA ASP 3 45.455 8.427 -4.849
15 1HB ASP 3 HB2 ASP 3 47.023 9.318 -6.819
16 2HB ASP 3 HB1 ASP 3 47.198 7.594 -7.124
17 H THR 4 HN THR 4 46.152 6.121 -6.814
18 HA THR 4 HA THR 4 46.099 4.041 -4.794
19 HB THR 4 HB THR 4 46.312 2.785 -7.265
20 HG1 THR 4 HG1 THR 4 44.659 5.058 -7.607
21 1HG2 THR 4 HG21 THR 4 44.315 3.128 -5.287
22 2HG2 THR 4 HG22 THR 4 44.461 1.861 -6.504
23 3HG2 THR 4 HG23 THR 4 43.569 3.338 -6.872
24 H ILE 5 HN ILE 5 48.092 4.212 -3.879
25 HA ILE 5 HA ILE 5 50.310 3.050 -5.337
26 HB ILE 5 HB ILE 5 51.744 5.009 -4.345
27 1HG1 ILE 5 HG12 ILE 5 50.626 7.183 -4.441
28 2HG1 ILE 5 HG11 ILE 5 49.110 6.407 -4.877
29 1HG2 ILE 5 HG21 ILE 5 51.656 4.447 -6.706
30 2HG2 ILE 5 HG22 ILE 5 51.587 6.198 -6.499
31 3HG2 ILE 5 HG23 ILE 5 50.118 5.296 -6.868
32 1HD1 ILE 5 HD11 ILE 5 49.065 7.051 -2.565
33 2HD1 ILE 5 HD12 ILE 5 50.557 6.167 -2.251
34 3HD1 ILE 5 HD13 ILE 5 49.087 5.294 -2.681
35 H ASN 6 HN ASN 6 49.530 1.543 -3.686
36 HA ASN 6 HA ASN 6 50.033 2.189 -0.937
37 1HB ASN 6 HB2 ASN 6 49.127 0.010 -0.474
38 2HB ASN 6 HB1 ASN 6 48.128 0.808 -1.685
39 1HD2 ASN 6 HD21 ASN 6 48.263 0.140 -3.844
40 2HD2 ASN 6 HD22 ASN 6 48.836 -1.435 -4.262
41 H CYS 7 HN CYS 7 51.120 0.208 0.303
42 HA CYS 7 HA CYS 7 53.880 0.371 -0.452
43 1HB CYS 7 HB2 CYS 7 53.011 -1.456 1.732
44 2HB CYS 7 HB1 CYS 7 54.387 -0.365 1.662
45 H GLU 8 HN GLU 8 55.249 -1.167 -1.125
46 HA GLU 8 HA GLU 8 54.077 -3.640 -2.177
47 1HB GLU 8 HB2 GLU 8 56.879 -2.591 -2.568
48 2HB GLU 8 HB1 GLU 8 56.095 -3.863 -3.483
49 1HG GLU 8 HG2 GLU 8 54.460 -1.599 -3.743
50 2HG GLU 8 HG1 GLU 8 56.118 -1.038 -3.948
51 H ARG 9 HN ARG 9 54.363 -5.490 -1.062
52 HA ARG 9 HA ARG 9 55.992 -5.391 1.307
53 1HB ARG 9 HB2 ARG 9 54.355 -7.687 0.286
54 2HB ARG 9 HB1 ARG 9 55.046 -7.529 1.891
55 1HG ARG 9 HG2 ARG 9 53.146 -6.599 2.543
56 2HG ARG 9 HG1 ARG 9 53.520 -5.224 1.503
57 1HD ARG 9 HD2 ARG 9 51.635 -5.720 0.419
58 2HD ARG 9 HD1 ARG 9 52.525 -7.080 -0.265
59 HE ARG 9 HE ARG 9 51.547 -7.975 2.142
60 1HH1 ARG 9 HH11 ARG 9 50.182 -6.678 -0.794
61 2HH1 ARG 9 HH12 ARG 9 48.700 -7.561 -0.644
62 1HH2 ARG 9 HH21 ARG 9 49.601 -9.138 2.343
63 2HH2 ARG 9 HH22 ARG 9 48.369 -8.959 1.138
64 H TYR 10 HN TYR 10 57.822 -6.250 1.699
65 HA TYR 10 HA TYR 10 59.285 -7.507 -0.437
66 1HB TYR 10 HB2 TYR 10 61.262 -7.128 0.904
67 2HB TYR 10 HB1 TYR 10 60.299 -5.681 0.821
68 HD1 TYR 10 HD1 TYR 10 58.572 -5.510 2.904
69 HD2 TYR 10 HD2 TYR 10 62.271 -7.595 2.849
70 HE1 TYR 10 HE1 TYR 10 58.800 -5.148 5.303
71 HE2 TYR 10 HE2 TYR 10 62.492 -7.276 5.277
72 HH TYR 10 HH TYR 10 61.693 -5.801 7.015
73 H ASN 11 HN ASN 11 60.697 -8.747 2.210
74 HA ASN 11 HA ASN 11 59.669 -11.355 1.607
75 1HB ASN 11 HB2 ASN 11 61.708 -10.644 3.712
76 2HB ASN 11 HB1 ASN 11 61.463 -12.206 2.936
77 1HD2 ASN 11 HD21 ASN 11 62.529 -12.652 1.115
78 2HD2 ASN 11 HD22 ASN 11 63.528 -11.535 0.254
79 H GLY 12 HN GLY 12 57.506 -10.114 2.670
80 1HA GLY 12 HA2 GLY 12 56.068 -11.420 4.206
81 2HA GLY 12 HA1 GLY 12 57.370 -11.318 5.369
82 H GLN 13 HN GLN 13 57.785 -8.392 4.743
83 HA GLN 13 HA GLN 13 55.549 -7.473 6.398
84 1HB GLN 13 HB2 GLN 13 58.299 -6.331 5.940
85 2HB GLN 13 HB1 GLN 13 57.064 -5.518 6.885
86 1HG GLN 13 HG2 GLN 13 58.756 -6.794 8.212
87 2HG GLN 13 HG1 GLN 13 57.073 -7.192 8.541
88 1HE2 GLN 13 HE21 GLN 13 59.483 -8.228 6.145
89 2HE2 GLN 13 HE22 GLN 13 59.271 -9.921 6.416
90 H VAL 14 HN VAL 14 56.912 -4.705 5.296
91 HA VAL 14 HA VAL 14 55.503 -4.574 2.768
92 HB VAL 14 HB VAL 14 54.718 -2.238 4.241
93 1HG1 VAL 14 HG11 VAL 14 52.917 -4.428 3.261
94 2HG1 VAL 14 HG12 VAL 14 53.737 -3.323 2.159
95 3HG1 VAL 14 HG13 VAL 14 52.600 -2.695 3.352
96 1HG2 VAL 14 HG21 VAL 14 53.670 -4.788 5.453
97 2HG2 VAL 14 HG22 VAL 14 53.303 -3.132 5.934
98 3HG2 VAL 14 HG23 VAL 14 54.919 -3.789 6.196
99 H CYS 15 HN CYS 15 57.011 -3.760 1.496
100 HA CYS 15 HA CYS 15 58.517 -2.343 0.586
101 1HB CYS 15 HB2 CYS 15 56.909 -0.692 2.317
102 2HB CYS 15 HB1 CYS 15 58.563 -0.102 2.296
103 H GLY 16 HN GLY 16 59.549 -4.272 2.280
104 1HA GLY 16 HA2 GLY 16 61.491 -4.795 3.400
105 2HA GLY 16 HA1 GLY 16 62.123 -3.288 2.809
106 H GLY 17 HN GLY 17 59.221 -3.270 4.667
107 1HA GLY 17 HA2 GLY 17 58.700 -2.630 6.796
108 2HA GLY 17 HA1 GLY 17 60.327 -3.083 7.266
109 HA PRO 18 HA PRO 18 59.316 1.731 6.843
110 1HB PRO 18 HB2 PRO 18 59.222 1.440 9.811
111 2HB PRO 18 HB1 PRO 18 58.304 2.520 8.757
112 1HG PRO 18 HG2 PRO 18 57.164 0.354 9.803
113 2HG PRO 18 HG1 PRO 18 56.802 0.865 8.144
114 1HD PRO 18 HD2 PRO 18 58.505 -1.383 9.107
115 2HD PRO 18 HD1 PRO 18 57.487 -1.276 7.657
116 H GLY 19 HN GLY 19 61.226 -0.333 8.960
117 1HA GLY 19 HA2 GLY 19 63.149 1.494 9.815
118 2HA GLY 19 HA1 GLY 19 63.426 -0.227 9.601
119 H ARG 20 HN ARG 20 62.730 -0.001 6.702
120 HA ARG 20 HA ARG 20 65.305 1.114 5.820
121 1HB ARG 20 HB2 ARG 20 63.601 -1.000 4.492
122 2HB ARG 20 HB1 ARG 20 65.174 -0.441 3.937
123 1HG ARG 20 HG2 ARG 20 66.301 -1.513 5.645
124 2HG ARG 20 HG1 ARG 20 64.877 -1.577 6.683
125 1HD ARG 20 HD2 ARG 20 64.410 -3.615 5.943
126 2HD ARG 20 HD1 ARG 20 64.305 -3.007 4.293
127 HE ARG 20 HE ARG 20 66.431 -3.794 3.884
128 1HH1 ARG 20 HH11 ARG 20 65.727 -4.028 7.296
129 2HH1 ARG 20 HH12 ARG 20 67.097 -5.030 7.637
130 1HH2 ARG 20 HH21 ARG 20 68.234 -5.111 4.332
131 2HH2 ARG 20 HH22 ARG 20 68.521 -5.644 5.955
132 H GLY 21 HN GLY 21 61.854 1.186 5.325
133 1HA GLY 21 HA2 GLY 21 61.910 3.690 4.055
134 2HA GLY 21 HA1 GLY 21 61.777 2.450 2.820
135 H LEU 22 HN LEU 22 59.839 4.444 3.328
136 HA LEU 22 HA LEU 22 57.600 2.788 4.278
137 1HB LEU 22 HB2 LEU 22 58.264 5.660 4.764
138 2HB LEU 22 HB1 LEU 22 56.580 5.172 4.707
139 HG LEU 22 HG LEU 22 57.339 3.377 6.422
140 1HD1 LEU 22 HD11 LEU 22 59.767 4.485 6.025
141 2HD1 LEU 22 HD12 LEU 22 59.297 3.618 7.486
142 3HD1 LEU 22 HD13 LEU 22 59.217 5.379 7.442
143 1HD2 LEU 22 HD21 LEU 22 55.745 5.248 6.773
144 2HD2 LEU 22 HD22 LEU 22 57.110 6.243 7.280
145 3HD2 LEU 22 HD23 LEU 22 56.672 4.808 8.208
146 H CYS 23 HN CYS 23 55.746 2.799 3.109
147 HA CYS 23 HA CYS 23 55.921 3.843 0.401
148 1HB CYS 23 HB2 CYS 23 54.373 2.279 -0.177
149 2HB CYS 23 HB1 CYS 23 54.858 1.535 1.339
150 H PHE 24 HN PHE 24 54.984 5.783 -0.227
151 HA PHE 24 HA PHE 24 52.868 6.784 1.563
152 1HB PHE 24 HB2 PHE 24 55.470 8.145 0.979
153 2HB PHE 24 HB1 PHE 24 54.033 9.084 1.371
154 HD1 PHE 24 HD1 PHE 24 56.870 8.095 2.736
155 HD2 PHE 24 HD2 PHE 24 52.697 7.684 3.415
156 HE1 PHE 24 HE1 PHE 24 57.321 7.651 5.129
157 HE2 PHE 24 HE2 PHE 24 53.128 7.241 5.814
158 HZ PHE 24 HZ PHE 24 55.437 7.239 6.667
159 H CYS 25 HN CYS 25 52.156 8.922 0.902
160 HA CYS 25 HA CYS 25 50.522 8.988 -1.174
161 1HB CYS 25 HB2 CYS 25 50.400 10.730 0.337
162 2HB CYS 25 HB1 CYS 25 52.142 11.029 0.286
163 H GLY 26 HN GLY 26 51.525 7.822 -2.918
164 1HA GLY 26 HA2 GLY 26 52.058 8.561 -5.229
165 2HA GLY 26 HA1 GLY 26 53.381 9.470 -4.516
166 H LYS 27 HN LYS 27 54.723 7.861 -2.934
167 HA LYS 27 HA LYS 27 55.066 5.233 -4.118
168 1HB LYS 27 HB2 LYS 27 57.092 7.421 -4.376
169 2HB LYS 27 HB1 LYS 27 57.524 5.722 -4.480
170 1HG LYS 27 HG2 LYS 27 55.671 5.634 -6.306
171 2HG LYS 27 HG1 LYS 27 55.915 7.381 -6.368
172 1HD LYS 27 HD2 LYS 27 58.450 6.688 -6.516
173 2HD LYS 27 HD1 LYS 27 57.773 5.172 -7.110
174 1HE LYS 27 HE2 LYS 27 56.365 7.080 -8.511
175 2HE LYS 27 HE1 LYS 27 57.985 7.771 -8.415
176 1HZ LYS 27 HZ1 LYS 27 57.667 6.373 -10.385
177 2HZ LYS 27 HZ2 LYS 27 57.363 5.036 -9.395
178 3HZ LYS 27 HZ3 LYS 27 58.886 5.772 -9.377
179 H CYS 28 HN CYS 28 57.285 4.309 -3.206
180 HA CYS 28 HA CYS 28 57.080 4.501 -0.314
181 1HB CYS 28 HB2 CYS 28 57.233 2.307 -1.709
182 2HB CYS 28 HB1 CYS 28 58.954 2.665 -1.780
183 H ARG 29 HN ARG 29 58.180 6.105 0.571
184 HA ARG 29 HA ARG 29 60.649 7.077 -0.569
185 1HB ARG 29 HB2 ARG 29 59.094 8.707 0.280
186 2HB ARG 29 HB1 ARG 29 59.030 7.904 1.842
187 1HG ARG 29 HG2 ARG 29 60.382 10.002 1.778
188 2HG ARG 29 HG1 ARG 29 61.234 8.582 2.382
189 1HD ARG 29 HD2 ARG 29 62.648 8.512 0.608
190 2HD ARG 29 HD1 ARG 29 61.430 9.102 -0.521
191 HE ARG 29 HE ARG 29 62.277 11.191 -0.222
192 1HH1 ARG 29 HH11 ARG 29 63.104 9.280 2.580
193 2HH1 ARG 29 HH12 ARG 29 64.037 10.539 3.318
194 1HH2 ARG 29 HH21 ARG 29 63.506 12.848 0.747
195 2HH2 ARG 29 HH22 ARG 29 64.264 12.565 2.278
196 H CYS 30 HN CYS 30 62.069 5.340 -0.280
197 HA CYS 30 HA CYS 30 62.620 4.504 2.463
198 1HB CYS 30 HB2 CYS 30 64.335 2.980 1.182
199 2HB CYS 30 HB1 CYS 30 62.629 2.574 1.215
200 H HIS 31 HN HIS 31 64.795 4.445 3.275
201 HA HIS 31 HA HIS 31 66.124 6.909 2.991
202 1HB HIS 31 HB2 HIS 31 67.516 4.489 4.091
203 2HB HIS 31 HB1 HIS 31 67.592 6.159 4.642
204 HD1 HIS 31 HD1 HIS 31 64.333 6.336 4.701
205 HD2 HIS 31 HD2 HIS 31 66.781 3.610 6.660
206 HE1 HIS 31 HE1 HIS 31 62.972 5.483 6.637
207 HE2 HIS 31 HE2 HIS 31 64.452 3.786 7.769
208 HA PRO 32 HA PRO 32 68.810 6.412 -0.454
209 1HB PRO 32 HB2 PRO 32 71.013 7.533 1.151
210 2HB PRO 32 HB1 PRO 32 70.281 8.148 -0.333
211 1HG PRO 32 HG2 PRO 32 69.851 9.342 2.027
212 2HG PRO 32 HG1 PRO 32 68.580 9.235 0.795
213 1HD PRO 32 HD2 PRO 32 68.945 7.621 3.286
214 2HD PRO 32 HD1 PRO 32 67.454 8.255 2.558
215 H GLY 33 HN GLY 33 69.364 4.479 -0.970
216 1HA GLY 33 HA2 GLY 33 71.310 3.064 -1.193
217 2HA GLY 33 HA1 GLY 33 71.543 3.195 0.541
218 H PHE 34 HN PHE 34 68.330 2.795 -0.715
219 HA PHE 34 HA PHE 34 68.386 -0.038 0.090
220 1HB PHE 34 HB2 PHE 34 66.377 2.100 0.742
221 2HB PHE 34 HB1 PHE 34 65.935 0.398 0.766
222 HD1 PHE 34 HD1 PHE 34 67.902 -1.054 2.031
223 HD2 PHE 34 HD2 PHE 34 66.802 2.983 2.809
224 HE1 PHE 34 HE1 PHE 34 68.792 -1.256 4.316
225 HE2 PHE 34 HE2 PHE 34 67.690 2.787 5.095
226 HZ PHE 34 HZ PHE 34 68.686 0.667 5.851
227 H GLU 35 HN GLU 35 67.026 -1.458 -1.036
228 HA GLU 35 HA GLU 35 65.414 -0.489 -3.218
229 1HB GLU 35 HB2 GLU 35 68.124 -1.533 -3.655
230 2HB GLU 35 HB1 GLU 35 66.893 -2.314 -4.636
231 1HG GLU 35 HG2 GLU 35 67.098 0.665 -4.477
232 2HG GLU 35 HG1 GLU 35 68.105 -0.270 -5.581
233 H GLY 36 HN GLY 36 66.981 -3.663 -3.165
234 1HA GLY 36 HA2 GLY 36 66.100 -5.770 -2.841
235 2HA GLY 36 HA1 GLY 36 65.016 -5.017 -1.671
236 H SER 37 HN SER 37 63.238 -6.245 -2.258
237 HA SER 37 HA SER 37 62.273 -6.106 -5.007
238 1HB SER 37 HB2 SER 37 61.572 -7.673 -2.570
239 2HB SER 37 HB1 SER 37 60.254 -7.319 -3.688
240 HG SER 37 HG SER 37 61.069 -8.690 -5.062
241 H ALA 38 HN ALA 38 62.338 -4.267 -2.329
242 HA ALA 38 HA ALA 38 60.087 -2.606 -3.149
243 1HB ALA 38 HB1 ALA 38 60.059 -2.415 -0.412
244 2HB ALA 38 HB2 ALA 38 60.299 -4.140 -0.686
245 3HB ALA 38 HB3 ALA 38 58.905 -3.320 -1.390
246 H CYS 39 HN CYS 39 62.012 -2.562 -0.213
247 HA CYS 39 HA CYS 39 63.871 -0.683 -1.227
248 1HB CYS 39 HB2 CYS 39 61.613 0.215 0.487
249 2HB CYS 39 HB1 CYS 39 63.193 0.952 0.722
250 H GLN 40 HN GLN 40 64.252 -3.192 -0.126
251 HA GLN 40 HA GLN 40 65.234 -2.647 2.598
252 1HB GLN 40 HB2 GLN 40 65.208 -5.065 2.931
253 2HB GLN 40 HB1 GLN 40 63.633 -4.484 2.408
254 1HG GLN 40 HG2 GLN 40 65.316 -5.267 0.183
255 2HG GLN 40 HG1 GLN 40 65.049 -6.583 1.313
256 1HE2 GLN 40 HE21 GLN 40 63.846 -7.627 -0.350
257 2HE2 GLN 40 HE22 GLN 40 62.219 -7.148 -0.695
258 H ALA 41 HN ALA 41 66.257 -3.838 -0.555
259 HA ALA 41 HA ALA 41 68.922 -4.410 0.471
260 1HB ALA 41 HB1 ALA 41 67.402 -5.658 -1.387
261 2HB ALA 41 HB2 ALA 41 69.152 -5.815 -1.258
262 3HB ALA 41 HB3 ALA 41 68.451 -4.679 -2.411
Start of MODEL 10
1 1H GLU 1 HT1 GLU 1 46.645 13.789 -5.412
2 2H GLU 1 HT2 GLU 1 45.245 14.385 -6.204
3 3H GLU 1 HT3 GLU 1 46.300 13.305 -7.019
4 HA GLU 1 HA GLU 1 44.898 12.597 -4.542
5 1HB GLU 1 HB2 GLU 1 43.227 11.507 -5.996
6 2HB GLU 1 HB1 GLU 1 43.237 13.254 -6.195
7 1HG GLU 1 HG2 GLU 1 45.047 12.155 -8.078
8 2HG GLU 1 HG1 GLU 1 43.544 11.236 -8.164
9 H CYS 2 HN CYS 2 46.637 11.327 -3.886
10 HA CYS 2 HA CYS 2 47.943 9.493 -5.636
11 1HB CYS 2 HB2 CYS 2 47.964 9.936 -2.668
12 2HB CYS 2 HB1 CYS 2 48.774 8.541 -3.378
13 H ASP 3 HN ASP 3 46.035 8.765 -2.702
14 HA ASP 3 HA ASP 3 44.330 7.254 -2.384
15 1HB ASP 3 HB2 ASP 3 44.019 7.737 -4.983
16 2HB ASP 3 HB1 ASP 3 44.575 6.072 -5.105
17 H THR 4 HN THR 4 44.467 4.610 -3.938
18 HA THR 4 HA THR 4 46.240 3.296 -2.111
19 HB THR 4 HB THR 4 45.307 1.222 -3.087
20 HG1 THR 4 HG1 THR 4 44.361 1.289 -4.941
21 1HG2 THR 4 HG21 THR 4 43.503 1.326 -1.803
22 2HG2 THR 4 HG22 THR 4 42.787 2.612 -2.776
23 3HG2 THR 4 HG23 THR 4 43.939 3.007 -1.499
24 H ILE 5 HN ILE 5 48.232 3.001 -2.545
25 HA ILE 5 HA ILE 5 49.156 2.065 -5.105
26 HB ILE 5 HB ILE 5 50.789 3.779 -5.497
27 1HG1 ILE 5 HG12 ILE 5 51.493 4.758 -3.541
28 2HG1 ILE 5 HG11 ILE 5 50.403 5.994 -4.141
29 1HG2 ILE 5 HG21 ILE 5 49.365 5.530 -6.263
30 2HG2 ILE 5 HG22 ILE 5 48.128 5.108 -5.077
31 3HG2 ILE 5 HG23 ILE 5 48.490 4.004 -6.406
32 1HD1 ILE 5 HD11 ILE 5 48.636 5.037 -2.671
33 2HD1 ILE 5 HD12 ILE 5 50.009 5.741 -1.821
34 3HD1 ILE 5 HD13 ILE 5 49.870 3.990 -1.973
35 H ASN 6 HN ASN 6 49.400 0.372 -3.579
36 HA ASN 6 HA ASN 6 51.413 0.611 -1.539
37 1HB ASN 6 HB2 ASN 6 50.771 -1.611 -0.931
38 2HB ASN 6 HB1 ASN 6 49.308 -0.703 -1.299
39 1HD2 ASN 6 HD21 ASN 6 48.261 -1.066 -3.303
40 2HD2 ASN 6 HD22 ASN 6 48.442 -2.570 -4.132
41 H CYS 7 HN CYS 7 53.421 -0.249 -1.537
42 HA CYS 7 HA CYS 7 54.493 -1.015 -4.149
43 1HB CYS 7 HB2 CYS 7 55.861 -0.111 -1.615
44 2HB CYS 7 HB1 CYS 7 56.683 -0.485 -3.120
45 H GLU 8 HN GLU 8 56.651 -2.377 -3.756
46 HA GLU 8 HA GLU 8 55.795 -4.991 -3.065
47 1HB GLU 8 HB2 GLU 8 58.625 -4.001 -3.462
48 2HB GLU 8 HB1 GLU 8 58.073 -5.666 -3.568
49 1HG GLU 8 HG2 GLU 8 58.066 -5.229 -5.770
50 2HG GLU 8 HG1 GLU 8 56.479 -4.551 -5.412
51 H ARG 9 HN ARG 9 56.354 -6.281 -1.307
52 HA ARG 9 HA ARG 9 57.315 -4.780 1.026
53 1HB ARG 9 HB2 ARG 9 56.383 -7.094 2.093
54 2HB ARG 9 HB1 ARG 9 55.455 -5.621 1.936
55 1HG ARG 9 HG2 ARG 9 55.461 -7.587 -0.296
56 2HG ARG 9 HG1 ARG 9 54.482 -7.891 1.139
57 1HD ARG 9 HD2 ARG 9 53.533 -5.564 0.813
58 2HD ARG 9 HD1 ARG 9 54.309 -5.573 -0.771
59 HE ARG 9 HE ARG 9 52.892 -7.846 -0.836
60 1HH1 ARG 9 HH11 ARG 9 52.006 -4.594 0.075
61 2HH1 ARG 9 HH12 ARG 9 50.354 -4.777 -0.407
62 1HH2 ARG 9 HH21 ARG 9 50.720 -8.086 -1.470
63 2HH2 ARG 9 HH22 ARG 9 49.622 -6.759 -1.284
64 H TYR 10 HN TYR 10 58.568 -5.902 2.593
65 HA TYR 10 HA TYR 10 60.227 -8.012 1.454
66 1HB TYR 10 HB2 TYR 10 62.186 -6.942 1.746
67 2HB TYR 10 HB1 TYR 10 61.164 -5.552 1.524
68 HD1 TYR 10 HD1 TYR 10 61.898 -7.611 4.590
69 HD2 TYR 10 HD2 TYR 10 62.068 -3.841 2.628
70 HE1 TYR 10 HE1 TYR 10 62.764 -6.593 6.640
71 HE2 TYR 10 HE2 TYR 10 62.937 -2.806 4.677
72 HH TYR 10 HH TYR 10 62.744 -4.136 7.636
73 H ASN 11 HN ASN 11 58.469 -6.914 4.025
74 HA ASN 11 HA ASN 11 58.870 -9.369 5.464
75 1HB ASN 11 HB2 ASN 11 60.337 -7.068 6.267
76 2HB ASN 11 HB1 ASN 11 59.069 -7.316 7.463
77 1HD2 ASN 11 HD21 ASN 11 61.375 -9.259 5.588
78 2HD2 ASN 11 HD22 ASN 11 61.860 -10.264 6.908
79 H GLY 12 HN GLY 12 56.642 -9.023 4.316
80 1HA GLY 12 HA2 GLY 12 54.367 -8.742 4.550
81 2HA GLY 12 HA1 GLY 12 54.658 -8.760 6.288
82 H GLN 13 HN GLN 13 56.236 -6.462 4.261
83 HA GLN 13 HA GLN 13 54.349 -4.314 4.766
84 1HB GLN 13 HB2 GLN 13 57.008 -4.619 6.115
85 2HB GLN 13 HB1 GLN 13 56.432 -3.011 5.724
86 1HG GLN 13 HG2 GLN 13 54.260 -4.205 6.947
87 2HG GLN 13 HG1 GLN 13 55.645 -4.796 7.862
88 1HE2 GLN 13 HE21 GLN 13 54.486 -1.761 6.426
89 2HE2 GLN 13 HE22 GLN 13 54.903 -0.765 7.775
90 H VAL 14 HN VAL 14 54.392 -2.965 2.974
91 HA VAL 14 HA VAL 14 56.084 -3.386 0.806
92 HB VAL 14 HB VAL 14 55.440 -1.256 -0.077
93 1HG1 VAL 14 HG11 VAL 14 52.923 -1.678 1.330
94 2HG1 VAL 14 HG12 VAL 14 53.640 -3.159 0.693
95 3HG1 VAL 14 HG13 VAL 14 53.304 -1.806 -0.387
96 1HG2 VAL 14 HG21 VAL 14 53.952 0.166 1.656
97 2HG2 VAL 14 HG22 VAL 14 55.675 0.438 1.392
98 3HG2 VAL 14 HG23 VAL 14 55.135 -0.531 2.763
99 H CYS 15 HN CYS 15 58.256 -3.168 0.698
100 HA CYS 15 HA CYS 15 60.370 -2.425 1.146
101 1HB CYS 15 HB2 CYS 15 58.858 0.024 2.123
102 2HB CYS 15 HB1 CYS 15 60.602 -0.056 2.002
103 H GLY 16 HN GLY 16 59.333 -4.225 2.731
104 1HA GLY 16 HA2 GLY 16 58.882 -4.896 4.945
105 2HA GLY 16 HA1 GLY 16 60.609 -4.785 4.879
106 H GLY 17 HN GLY 17 58.078 -2.286 5.190
107 1HA GLY 17 HA2 GLY 17 57.579 -1.114 7.192
108 2HA GLY 17 HA1 GLY 17 59.095 -1.681 7.871
109 HA PRO 18 HA PRO 18 59.269 2.694 5.753
110 1HB PRO 18 HB2 PRO 18 58.843 3.784 8.466
111 2HB PRO 18 HB1 PRO 18 58.159 4.306 6.924
112 1HG PRO 18 HG2 PRO 18 56.676 3.021 8.748
113 2HG PRO 18 HG1 PRO 18 56.444 2.763 7.009
114 1HD PRO 18 HD2 PRO 18 57.839 1.036 9.014
115 2HD PRO 18 HD1 PRO 18 56.795 0.571 7.654
116 H GLY 19 HN GLY 19 60.592 1.047 8.485
117 1HA GLY 19 HA2 GLY 19 62.598 2.673 9.401
118 2HA GLY 19 HA1 GLY 19 62.781 0.935 9.212
119 H ARG 20 HN ARG 20 62.691 0.664 6.486
120 HA ARG 20 HA ARG 20 65.191 1.970 5.678
121 1HB ARG 20 HB2 ARG 20 63.823 -0.573 4.799
122 2HB ARG 20 HB1 ARG 20 65.172 0.123 3.924
123 1HG ARG 20 HG2 ARG 20 65.826 -1.677 5.450
124 2HG ARG 20 HG1 ARG 20 66.619 -0.145 5.789
125 1HD ARG 20 HD2 ARG 20 65.819 -1.390 7.783
126 2HD ARG 20 HD1 ARG 20 65.232 0.261 7.660
127 HE ARG 20 HE ARG 20 63.336 -1.413 6.488
128 1HH1 ARG 20 HH11 ARG 20 64.712 -0.821 9.640
129 2HH1 ARG 20 HH12 ARG 20 63.281 -1.296 10.492
130 1HH2 ARG 20 HH21 ARG 20 61.451 -2.036 7.609
131 2HH2 ARG 20 HH22 ARG 20 61.431 -1.986 9.340
132 H GLY 21 HN GLY 21 61.949 1.139 4.559
133 1HA GLY 21 HA2 GLY 21 61.821 3.541 2.954
134 2HA GLY 21 HA1 GLY 21 61.808 2.047 2.025
135 H LEU 22 HN LEU 22 59.716 4.167 2.493
136 HA LEU 22 HA LEU 22 57.606 2.312 3.328
137 1HB LEU 22 HB2 LEU 22 56.714 3.673 4.878
138 2HB LEU 22 HB1 LEU 22 58.379 4.213 4.988
139 HG LEU 22 HG LEU 22 56.652 5.584 3.053
140 1HD1 LEU 22 HD11 LEU 22 56.146 5.526 5.957
141 2HD1 LEU 22 HD12 LEU 22 55.040 5.836 4.618
142 3HD1 LEU 22 HD13 LEU 22 56.122 7.110 5.180
143 1HD2 LEU 22 HD21 LEU 22 58.004 7.455 3.589
144 2HD2 LEU 22 HD22 LEU 22 59.084 6.066 3.477
145 3HD2 LEU 22 HD23 LEU 22 58.599 6.681 5.057
146 H CYS 23 HN CYS 23 55.814 2.241 2.132
147 HA CYS 23 HA CYS 23 55.750 3.923 -0.259
148 1HB CYS 23 HB2 CYS 23 55.651 1.390 -0.418
149 2HB CYS 23 HB1 CYS 23 54.033 1.511 0.263
150 H PHE 24 HN PHE 24 54.324 5.451 -0.608
151 HA PHE 24 HA PHE 24 51.721 5.337 0.645
152 1HB PHE 24 HB2 PHE 24 52.044 7.669 1.695
153 2HB PHE 24 HB1 PHE 24 52.673 6.271 2.548
154 HD1 PHE 24 HD1 PHE 24 54.053 7.841 3.824
155 HD2 PHE 24 HD2 PHE 24 54.529 7.370 -0.380
156 HE1 PHE 24 HE1 PHE 24 56.257 8.899 3.967
157 HE2 PHE 24 HE2 PHE 24 56.728 8.416 -0.237
158 HZ PHE 24 HZ PHE 24 57.605 9.186 1.936
159 H CYS 25 HN CYS 25 51.170 8.162 0.389
160 HA CYS 25 HA CYS 25 50.000 8.576 -1.904
161 1HB CYS 25 HB2 CYS 25 50.374 10.308 -0.154
162 2HB CYS 25 HB1 CYS 25 51.974 10.598 -0.819
163 H GLY 26 HN GLY 26 50.724 7.425 -3.646
164 1HA GLY 26 HA2 GLY 26 51.750 7.706 -5.787
165 2HA GLY 26 HA1 GLY 26 53.081 8.545 -5.000
166 H LYS 27 HN LYS 27 54.484 7.185 -3.546
167 HA LYS 27 HA LYS 27 54.415 4.324 -4.071
168 1HB LYS 27 HB2 LYS 27 56.909 5.801 -4.761
169 2HB LYS 27 HB1 LYS 27 56.453 4.156 -5.168
170 1HG LYS 27 HG2 LYS 27 56.262 5.282 -7.188
171 2HG LYS 27 HG1 LYS 27 54.604 5.242 -6.592
172 1HD LYS 27 HD2 LYS 27 54.578 7.455 -6.905
173 2HD LYS 27 HD1 LYS 27 55.637 7.564 -5.498
174 1HE LYS 27 HE2 LYS 27 57.034 8.612 -6.907
175 2HE LYS 27 HE1 LYS 27 57.423 6.983 -7.458
176 1HZ LYS 27 HZ1 LYS 27 56.950 8.240 -9.373
177 2HZ LYS 27 HZ2 LYS 27 55.557 8.922 -8.698
178 3HZ LYS 27 HZ3 LYS 27 55.578 7.283 -9.118
179 H CYS 28 HN CYS 28 57.082 3.755 -3.459
180 HA CYS 28 HA CYS 28 57.087 4.199 -0.597
181 1HB CYS 28 HB2 CYS 28 57.311 1.896 -1.361
182 2HB CYS 28 HB1 CYS 28 58.732 2.330 -2.301
183 H ARG 29 HN ARG 29 58.117 5.851 0.176
184 HA ARG 29 HA ARG 29 60.364 7.029 -1.218
185 1HB ARG 29 HB2 ARG 29 58.404 7.920 0.650
186 2HB ARG 29 HB1 ARG 29 59.980 8.173 1.370
187 1HG ARG 29 HG2 ARG 29 60.284 9.971 0.132
188 2HG ARG 29 HG1 ARG 29 60.063 9.026 -1.334
189 1HD ARG 29 HD2 ARG 29 57.728 9.435 -1.344
190 2HD ARG 29 HD1 ARG 29 57.782 10.136 0.271
191 HE ARG 29 HE ARG 29 58.433 11.432 -2.216
192 1HH1 ARG 29 HH11 ARG 29 58.858 11.484 1.249
193 2HH1 ARG 29 HH12 ARG 29 59.217 13.177 1.304
194 1HH2 ARG 29 HH21 ARG 29 58.905 13.657 -2.144
195 2HH2 ARG 29 HH22 ARG 29 59.243 14.411 -0.622
196 H CYS 30 HN CYS 30 61.981 5.555 -1.078
197 HA CYS 30 HA CYS 30 62.715 4.477 1.522
198 1HB CYS 30 HB2 CYS 30 64.363 3.826 -0.850
199 2HB CYS 30 HB1 CYS 30 63.769 2.782 0.427
200 H HIS 31 HN HIS 31 64.896 4.544 2.286
201 HA HIS 31 HA HIS 31 66.038 7.179 1.980
202 1HB HIS 31 HB2 HIS 31 67.336 5.071 3.651
203 2HB HIS 31 HB1 HIS 31 67.130 6.789 3.976
204 HD1 HIS 31 HD1 HIS 31 63.949 6.653 3.450
205 HD2 HIS 31 HD2 HIS 31 66.158 4.308 6.077
206 HE1 HIS 31 HE1 HIS 31 62.300 5.841 5.170
207 HE2 HIS 31 HE2 HIS 31 63.683 4.509 6.806
208 HA PRO 32 HA PRO 32 69.310 6.413 -0.838
209 1HB PRO 32 HB2 PRO 32 71.197 7.563 1.145
210 2HB PRO 32 HB1 PRO 32 70.869 8.063 -0.517
211 1HG PRO 32 HG2 PRO 32 69.957 9.503 1.524
212 2HG PRO 32 HG1 PRO 32 68.959 9.250 0.079
213 1HD PRO 32 HD2 PRO 32 68.788 7.918 2.753
214 2HD PRO 32 HD1 PRO 32 67.483 8.486 1.688
215 H GLY 33 HN GLY 33 70.120 4.587 -1.296
216 1HA GLY 33 HA2 GLY 33 71.748 2.942 -1.182
217 2HA GLY 33 HA1 GLY 33 72.015 3.316 0.511
218 H PHE 34 HN PHE 34 69.101 2.416 -1.337
219 HA PHE 34 HA PHE 34 68.897 -0.012 0.283
220 1HB PHE 34 HB2 PHE 34 66.924 2.225 0.187
221 2HB PHE 34 HB1 PHE 34 66.350 0.578 0.405
222 HD1 PHE 34 HD1 PHE 34 66.655 3.277 2.231
223 HD2 PHE 34 HD2 PHE 34 68.408 -0.599 2.097
224 HE1 PHE 34 HE1 PHE 34 67.167 3.426 4.633
225 HE2 PHE 34 HE2 PHE 34 68.921 -0.455 4.498
226 HZ PHE 34 HZ PHE 34 68.300 1.561 5.769
227 H GLU 35 HN GLU 35 67.651 -1.682 -0.609
228 HA GLU 35 HA GLU 35 66.382 -1.330 -3.169
229 1HB GLU 35 HB2 GLU 35 69.082 -2.497 -2.931
230 2HB GLU 35 HB1 GLU 35 67.950 -3.426 -3.902
231 1HG GLU 35 HG2 GLU 35 68.493 -0.501 -4.329
232 2HG GLU 35 HG1 GLU 35 69.357 -1.791 -5.163
233 H GLY 36 HN GLY 36 67.812 -4.399 -2.127
234 1HA GLY 36 HA2 GLY 36 66.814 -6.367 -1.448
235 2HA GLY 36 HA1 GLY 36 65.674 -5.346 -0.573
236 H SER 37 HN SER 37 63.840 -6.561 -1.024
237 HA SER 37 HA SER 37 63.137 -7.001 -3.831
238 1HB SER 37 HB2 SER 37 62.293 -8.139 -1.237
239 2HB SER 37 HB1 SER 37 60.971 -7.850 -2.367
240 HG SER 37 HG SER 37 62.375 -9.005 -3.929
241 H ALA 38 HN ALA 38 63.126 -4.661 -1.640
242 HA ALA 38 HA ALA 38 60.986 -3.146 -2.889
243 1HB ALA 38 HB1 ALA 38 60.359 -2.344 -0.595
244 2HB ALA 38 HB2 ALA 38 61.269 -3.719 0.034
245 3HB ALA 38 HB3 ALA 38 59.865 -3.987 -0.997
246 H CYS 39 HN CYS 39 62.745 -2.560 0.101
247 HA CYS 39 HA CYS 39 64.737 -1.007 -1.177
248 1HB CYS 39 HB2 CYS 39 62.584 0.373 0.400
249 2HB CYS 39 HB1 CYS 39 64.172 1.085 0.153
250 H GLN 40 HN GLN 40 65.041 -3.227 0.403
251 HA GLN 40 HA GLN 40 65.757 -2.242 3.069
252 1HB GLN 40 HB2 GLN 40 65.745 -4.446 3.822
253 2HB GLN 40 HB1 GLN 40 64.437 -4.395 2.654
254 1HG GLN 40 HG2 GLN 40 66.636 -5.135 1.152
255 2HG GLN 40 HG1 GLN 40 66.840 -6.001 2.667
256 1HE2 GLN 40 HE21 GLN 40 63.960 -5.055 0.882
257 2HE2 GLN 40 HE22 GLN 40 63.344 -6.653 0.687
258 H ALA 41 HN ALA 41 67.299 -3.646 0.217
259 HA ALA 41 HA ALA 41 69.865 -3.803 1.536
260 1HB ALA 41 HB1 ALA 41 68.789 -5.243 -0.447
261 2HB ALA 41 HB2 ALA 41 70.528 -5.090 -0.193
262 3HB ALA 41 HB3 ALA 41 69.720 -4.085 -1.396
Start of MODEL 11
1 1H GLU 1 HT1 GLU 1 47.222 9.699 1.008
2 2H GLU 1 HT2 GLU 1 45.708 10.369 1.464
3 3H GLU 1 HT3 GLU 1 46.805 11.286 0.515
4 HA GLU 1 HA GLU 1 45.483 8.787 -0.303
5 1HB GLU 1 HB2 GLU 1 44.989 11.677 -1.056
6 2HB GLU 1 HB1 GLU 1 44.203 10.291 -1.798
7 1HG GLU 1 HG2 GLU 1 42.597 10.823 -0.308
8 2HG GLU 1 HG1 GLU 1 43.574 9.792 0.736
9 H CYS 2 HN CYS 2 46.757 11.730 -1.840
10 HA CYS 2 HA CYS 2 48.302 12.066 -3.465
11 1HB CYS 2 HB2 CYS 2 49.653 10.552 -1.859
12 2HB CYS 2 HB1 CYS 2 49.376 9.286 -3.049
13 H ASP 3 HN ASP 3 47.527 8.573 -3.736
14 HA ASP 3 HA ASP 3 45.790 8.718 -5.878
15 1HB ASP 3 HB2 ASP 3 48.384 9.456 -6.702
16 2HB ASP 3 HB1 ASP 3 48.128 7.827 -7.320
17 H THR 4 HN THR 4 46.631 6.543 -7.470
18 HA THR 4 HA THR 4 46.192 4.364 -5.611
19 HB THR 4 HB THR 4 46.198 3.007 -7.797
20 HG1 THR 4 HG1 THR 4 47.280 4.540 -9.077
21 1HG2 THR 4 HG21 THR 4 44.108 5.030 -8.176
22 2HG2 THR 4 HG22 THR 4 44.168 4.291 -6.575
23 3HG2 THR 4 HG23 THR 4 43.987 3.278 -8.008
24 H ILE 5 HN ILE 5 48.078 4.196 -4.495
25 HA ILE 5 HA ILE 5 50.249 2.815 -5.808
26 HB ILE 5 HB ILE 5 51.859 4.464 -4.527
27 1HG1 ILE 5 HG12 ILE 5 51.151 6.769 -4.583
28 2HG1 ILE 5 HG11 ILE 5 49.626 6.334 -5.341
29 1HG2 ILE 5 HG21 ILE 5 51.956 5.858 -6.684
30 2HG2 ILE 5 HG22 ILE 5 50.671 4.798 -7.255
31 3HG2 ILE 5 HG23 ILE 5 52.233 4.120 -6.799
32 1HD1 ILE 5 HD11 ILE 5 49.053 5.067 -3.273
33 2HD1 ILE 5 HD12 ILE 5 49.211 6.806 -3.050
34 3HD1 ILE 5 HD13 ILE 5 50.508 5.729 -2.533
35 H ASN 6 HN ASN 6 49.306 1.263 -4.398
36 HA ASN 6 HA ASN 6 49.407 1.701 -1.565
37 1HB ASN 6 HB2 ASN 6 48.236 -0.302 -1.387
38 2HB ASN 6 HB1 ASN 6 47.694 0.367 -2.922
39 1HD2 ASN 6 HD21 ASN 6 50.183 -0.304 -4.286
40 2HD2 ASN 6 HD22 ASN 6 50.133 -2.003 -4.556
41 H CYS 7 HN CYS 7 50.599 0.533 -0.074
42 HA CYS 7 HA CYS 7 53.300 0.421 -0.439
43 1HB CYS 7 HB2 CYS 7 51.942 -1.432 1.496
44 2HB CYS 7 HB1 CYS 7 53.489 -0.612 1.656
45 H GLU 8 HN GLU 8 54.793 -0.952 -1.068
46 HA GLU 8 HA GLU 8 53.956 -3.487 -2.280
47 1HB GLU 8 HB2 GLU 8 56.678 -2.169 -2.413
48 2HB GLU 8 HB1 GLU 8 56.070 -3.465 -3.435
49 1HG GLU 8 HG2 GLU 8 54.235 -1.457 -3.829
50 2HG GLU 8 HG1 GLU 8 55.762 -0.587 -3.686
51 H ARG 9 HN ARG 9 55.000 -5.475 -1.668
52 HA ARG 9 HA ARG 9 56.353 -5.262 0.930
53 1HB ARG 9 HB2 ARG 9 55.572 -7.948 0.572
54 2HB ARG 9 HB1 ARG 9 55.000 -6.795 1.768
55 1HG ARG 9 HG2 ARG 9 53.816 -6.662 -0.931
56 2HG ARG 9 HG1 ARG 9 53.407 -8.043 0.080
57 1HD ARG 9 HD2 ARG 9 52.215 -6.796 1.543
58 2HD ARG 9 HD1 ARG 9 53.288 -5.406 1.388
59 HE ARG 9 HE ARG 9 51.808 -4.544 -0.105
60 1HH1 ARG 9 HH11 ARG 9 51.446 -8.017 -0.122
61 2HH1 ARG 9 HH12 ARG 9 50.131 -7.999 -1.248
62 1HH2 ARG 9 HH21 ARG 9 50.075 -4.521 -1.582
63 2HH2 ARG 9 HH22 ARG 9 49.352 -6.016 -2.076
64 H TYR 10 HN TYR 10 57.955 -6.693 1.424
65 HA TYR 10 HA TYR 10 59.529 -7.583 -0.867
66 1HB TYR 10 HB2 TYR 10 61.512 -6.997 0.288
67 2HB TYR 10 HB1 TYR 10 60.400 -5.670 0.571
68 HD1 TYR 10 HD1 TYR 10 62.892 -7.147 2.075
69 HD2 TYR 10 HD2 TYR 10 58.731 -6.638 2.725
70 HE1 TYR 10 HE1 TYR 10 63.246 -7.377 4.488
71 HE2 TYR 10 HE2 TYR 10 59.052 -6.871 5.128
72 HH TYR 10 HH TYR 10 61.880 -6.556 6.655
73 H ASN 11 HN ASN 11 58.224 -8.449 2.135
74 HA ASN 11 HA ASN 11 58.699 -11.250 1.652
75 1HB ASN 11 HB2 ASN 11 60.702 -10.128 2.986
76 2HB ASN 11 HB1 ASN 11 59.603 -10.340 4.346
77 1HD2 ASN 11 HD21 ASN 11 62.106 -11.609 4.032
78 2HD2 ASN 11 HD22 ASN 11 61.826 -13.311 3.923
79 H GLY 12 HN GLY 12 57.458 -8.747 3.786
80 1HA GLY 12 HA2 GLY 12 54.868 -9.571 3.956
81 2HA GLY 12 HA1 GLY 12 55.677 -10.526 5.184
82 H GLN 13 HN GLN 13 57.309 -7.634 5.028
83 HA GLN 13 HA GLN 13 55.813 -6.576 7.314
84 1HB GLN 13 HB2 GLN 13 58.565 -5.749 6.377
85 2HB GLN 13 HB1 GLN 13 57.814 -5.406 7.932
86 1HG GLN 13 HG2 GLN 13 57.797 -8.187 7.711
87 2HG GLN 13 HG1 GLN 13 59.376 -7.678 7.115
88 1HE2 GLN 13 HE21 GLN 13 57.127 -7.014 9.777
89 2HE2 GLN 13 HE22 GLN 13 58.340 -6.889 11.001
90 H VAL 14 HN VAL 14 56.508 -6.051 4.041
91 HA VAL 14 HA VAL 14 55.587 -4.563 2.589
92 HB VAL 14 HB VAL 14 54.841 -2.702 4.834
93 1HG1 VAL 14 HG11 VAL 14 54.747 -1.907 2.493
94 2HG1 VAL 14 HG12 VAL 14 53.173 -1.920 3.288
95 3HG1 VAL 14 HG13 VAL 14 53.590 -3.190 2.138
96 1HG2 VAL 14 HG21 VAL 14 52.522 -3.993 4.308
97 2HG2 VAL 14 HG22 VAL 14 53.592 -4.393 5.652
98 3HG2 VAL 14 HG23 VAL 14 53.676 -5.319 4.154
99 H CYS 15 HN CYS 15 57.381 -4.027 1.649
100 HA CYS 15 HA CYS 15 59.038 -2.756 0.891
101 1HB CYS 15 HB2 CYS 15 57.478 -0.872 2.476
102 2HB CYS 15 HB1 CYS 15 59.171 -0.423 2.309
103 H GLY 16 HN GLY 16 59.763 -4.648 2.580
104 1HA GLY 16 HA2 GLY 16 61.391 -5.294 4.061
105 2HA GLY 16 HA1 GLY 16 62.341 -4.098 3.232
106 H GLY 17 HN GLY 17 59.773 -4.240 5.694
107 1HA GLY 17 HA2 GLY 17 59.516 -3.155 7.697
108 2HA GLY 17 HA1 GLY 17 61.259 -3.301 7.839
109 HA PRO 18 HA PRO 18 59.992 1.196 7.228
110 1HB PRO 18 HB2 PRO 18 59.958 2.127 9.737
111 2HB PRO 18 HB1 PRO 18 58.550 1.322 9.031
112 1HG PRO 18 HG2 PRO 18 60.605 0.240 10.917
113 2HG PRO 18 HG1 PRO 18 58.849 -0.008 10.910
114 1HD PRO 18 HD2 PRO 18 60.683 -1.804 9.903
115 2HD PRO 18 HD1 PRO 18 58.983 -1.719 9.403
116 H GLY 19 HN GLY 19 62.358 -0.360 9.293
117 1HA GLY 19 HA2 GLY 19 64.097 1.688 9.877
118 2HA GLY 19 HA1 GLY 19 64.609 0.039 9.555
119 H ARG 20 HN ARG 20 63.498 0.250 6.770
120 HA ARG 20 HA ARG 20 65.789 1.690 5.636
121 1HB ARG 20 HB2 ARG 20 64.077 -0.411 4.308
122 2HB ARG 20 HB1 ARG 20 65.596 0.249 3.715
123 1HG ARG 20 HG2 ARG 20 66.817 -1.139 4.961
124 2HG ARG 20 HG1 ARG 20 65.803 -0.902 6.385
125 1HD ARG 20 HD2 ARG 20 64.668 -2.783 6.010
126 2HD ARG 20 HD1 ARG 20 64.454 -2.410 4.300
127 HE ARG 20 HE ARG 20 66.973 -3.189 4.288
128 1HH1 ARG 20 HH11 ARG 20 64.240 -4.612 5.933
129 2HH1 ARG 20 HH12 ARG 20 64.895 -6.213 5.893
130 1HH2 ARG 20 HH21 ARG 20 67.827 -5.298 4.230
131 2HH2 ARG 20 HH22 ARG 20 66.927 -6.603 4.926
132 H GLY 21 HN GLY 21 62.325 1.064 4.943
133 1HA GLY 21 HA2 GLY 21 61.951 3.815 4.198
134 2HA GLY 21 HA1 GLY 21 61.963 2.742 2.814
135 H LEU 22 HN LEU 22 59.860 4.445 4.048
136 HA LEU 22 HA LEU 22 57.852 2.495 4.868
137 1HB LEU 22 HB2 LEU 22 57.926 5.489 4.816
138 2HB LEU 22 HB1 LEU 22 56.502 4.561 5.258
139 HG LEU 22 HG LEU 22 57.305 4.854 7.298
140 1HD1 LEU 22 HD11 LEU 22 59.072 2.609 6.438
141 2HD1 LEU 22 HD12 LEU 22 57.436 2.482 7.086
142 3HD1 LEU 22 HD13 LEU 22 58.751 3.055 8.112
143 1HD2 LEU 22 HD21 LEU 22 59.336 5.697 7.904
144 2HD2 LEU 22 HD22 LEU 22 59.263 6.196 6.215
145 3HD2 LEU 22 HD23 LEU 22 60.191 4.768 6.673
146 H CYS 23 HN CYS 23 55.537 3.343 4.019
147 HA CYS 23 HA CYS 23 55.722 3.544 1.081
148 1HB CYS 23 HB2 CYS 23 53.877 1.981 0.902
149 2HB CYS 23 HB1 CYS 23 55.160 1.259 1.863
150 H PHE 24 HN PHE 24 54.789 5.444 0.350
151 HA PHE 24 HA PHE 24 52.093 5.957 1.225
152 1HB PHE 24 HB2 PHE 24 52.940 8.510 1.738
153 2HB PHE 24 HB1 PHE 24 52.482 7.321 2.936
154 HD1 PHE 24 HD1 PHE 24 55.269 9.088 1.334
155 HD2 PHE 24 HD2 PHE 24 54.088 6.301 4.319
156 HE1 PHE 24 HE1 PHE 24 57.456 9.332 2.441
157 HE2 PHE 24 HE2 PHE 24 56.271 6.532 5.427
158 HZ PHE 24 HZ PHE 24 57.961 8.053 4.484
159 H CYS 25 HN CYS 25 51.865 8.627 0.547
160 HA CYS 25 HA CYS 25 51.010 8.867 -1.872
161 1HB CYS 25 HB2 CYS 25 51.132 10.796 -0.506
162 2HB CYS 25 HB1 CYS 25 52.894 10.721 -0.432
163 H GLY 26 HN GLY 26 51.602 8.310 -3.851
164 1HA GLY 26 HA2 GLY 26 52.940 8.129 -5.736
165 2HA GLY 26 HA1 GLY 26 54.276 8.811 -4.815
166 H LYS 27 HN LYS 27 55.225 7.338 -3.119
167 HA LYS 27 HA LYS 27 54.861 4.500 -3.574
168 1HB LYS 27 HB2 LYS 27 57.598 5.630 -3.960
169 2HB LYS 27 HB1 LYS 27 57.027 4.008 -4.303
170 1HG LYS 27 HG2 LYS 27 55.881 6.300 -5.829
171 2HG LYS 27 HG1 LYS 27 57.482 5.698 -6.241
172 1HD LYS 27 HD2 LYS 27 55.105 3.877 -5.998
173 2HD LYS 27 HD1 LYS 27 55.512 4.697 -7.507
174 1HE LYS 27 HE2 LYS 27 57.430 2.944 -5.980
175 2HE LYS 27 HE1 LYS 27 56.403 2.360 -7.289
176 1HZ LYS 27 HZ1 LYS 27 58.120 4.689 -7.775
177 2HZ LYS 27 HZ2 LYS 27 57.590 3.501 -8.853
178 3HZ LYS 27 HZ3 LYS 27 58.827 3.153 -7.753
179 H CYS 28 HN CYS 28 57.372 3.711 -2.586
180 HA CYS 28 HA CYS 28 57.001 4.166 0.234
181 1HB CYS 28 HB2 CYS 28 58.346 2.176 -1.475
182 2HB CYS 28 HB1 CYS 28 59.207 2.556 0.011
183 H ARG 29 HN ARG 29 58.123 5.618 1.365
184 HA ARG 29 HA ARG 29 60.260 7.082 0.071
185 1HB ARG 29 HB2 ARG 29 58.627 8.338 1.334
186 2HB ARG 29 HB1 ARG 29 58.941 7.376 2.771
187 1HG ARG 29 HG2 ARG 29 61.199 8.282 2.889
188 2HG ARG 29 HG1 ARG 29 60.886 9.247 1.444
189 1HD ARG 29 HD2 ARG 29 59.632 10.757 2.566
190 2HD ARG 29 HD1 ARG 29 58.936 9.540 3.634
191 HE ARG 29 HE ARG 29 61.168 11.202 4.185
192 1HH1 ARG 29 HH11 ARG 29 59.911 7.992 4.732
193 2HH1 ARG 29 HH12 ARG 29 60.771 7.774 6.219
194 1HH2 ARG 29 HH21 ARG 29 62.303 10.914 6.137
195 2HH2 ARG 29 HH22 ARG 29 62.130 9.431 7.016
196 H CYS 30 HN CYS 30 61.833 5.425 -0.072
197 HA CYS 30 HA CYS 30 62.909 4.446 2.461
198 1HB CYS 30 HB2 CYS 30 64.455 3.146 0.766
199 2HB CYS 30 HB1 CYS 30 62.827 2.597 1.118
200 H HIS 31 HN HIS 31 64.931 4.823 3.172
201 HA HIS 31 HA HIS 31 66.120 7.289 2.531
202 1HB HIS 31 HB2 HIS 31 67.706 5.118 3.856
203 2HB HIS 31 HB1 HIS 31 67.651 6.839 4.220
204 HD1 HIS 31 HD1 HIS 31 64.439 6.865 4.434
205 HD2 HIS 31 HD2 HIS 31 67.060 4.352 6.456
206 HE1 HIS 31 HE1 HIS 31 63.181 6.081 6.470
207 HE2 HIS 31 HE2 HIS 31 64.763 4.502 7.634
208 HA PRO 32 HA PRO 32 68.781 6.587 -0.885
209 1HB PRO 32 HB2 PRO 32 71.042 7.703 0.654
210 2HB PRO 32 HB1 PRO 32 70.335 8.256 -0.867
211 1HG PRO 32 HG2 PRO 32 69.932 9.610 1.399
212 2HG PRO 32 HG1 PRO 32 68.643 9.437 0.193
213 1HD PRO 32 HD2 PRO 32 69.019 7.985 2.781
214 2HD PRO 32 HD1 PRO 32 67.529 8.604 2.038
215 H GLY 33 HN GLY 33 69.297 4.648 -1.376
216 1HA GLY 33 HA2 GLY 33 71.162 3.143 -1.588
217 2HA GLY 33 HA1 GLY 33 71.457 3.332 0.131
218 H PHE 34 HN PHE 34 68.298 2.849 -1.362
219 HA PHE 34 HA PHE 34 68.243 0.107 -0.314
220 1HB PHE 34 HB2 PHE 34 66.220 2.282 0.218
221 2HB PHE 34 HB1 PHE 34 65.865 0.574 0.446
222 HD1 PHE 34 HD1 PHE 34 66.263 3.205 2.338
223 HD2 PHE 34 HD2 PHE 34 68.343 -0.434 1.608
224 HE1 PHE 34 HE1 PHE 34 67.233 3.312 4.597
225 HE2 PHE 34 HE2 PHE 34 69.317 -0.335 3.865
226 HZ PHE 34 HZ PHE 34 68.762 1.539 5.363
227 H GLU 35 HN GLU 35 66.873 -1.324 -1.394
228 HA GLU 35 HA GLU 35 65.236 -0.400 -3.577
229 1HB GLU 35 HB2 GLU 35 67.931 -1.475 -4.023
230 2HB GLU 35 HB1 GLU 35 66.682 -2.295 -4.949
231 1HG GLU 35 HG2 GLU 35 66.404 -0.566 -6.326
232 2HG GLU 35 HG1 GLU 35 66.460 0.611 -5.014
233 H GLY 36 HN GLY 36 66.817 -3.576 -3.279
234 1HA GLY 36 HA2 GLY 36 65.880 -5.673 -3.004
235 2HA GLY 36 HA1 GLY 36 64.919 -4.895 -1.749
236 H SER 37 HN SER 37 63.157 -6.310 -2.292
237 HA SER 37 HA SER 37 61.966 -6.146 -4.911
238 1HB SER 37 HB2 SER 37 60.969 -7.292 -2.287
239 2HB SER 37 HB1 SER 37 60.055 -7.367 -3.793
240 HG SER 37 HG SER 37 61.527 -9.208 -3.153
241 H ALA 38 HN ALA 38 62.133 -4.254 -2.191
242 HA ALA 38 HA ALA 38 59.962 -2.506 -3.080
243 1HB ALA 38 HB1 ALA 38 59.963 -2.142 -0.394
244 2HB ALA 38 HB2 ALA 38 60.243 -3.880 -0.512
245 3HB ALA 38 HB3 ALA 38 58.816 -3.161 -1.262
246 H CYS 39 HN CYS 39 61.990 -2.427 -0.219
247 HA CYS 39 HA CYS 39 63.882 -0.653 -1.359
248 1HB CYS 39 HB2 CYS 39 61.817 0.386 0.546
249 2HB CYS 39 HB1 CYS 39 63.423 1.097 0.484
250 H GLN 40 HN GLN 40 64.224 -3.134 -0.259
251 HA GLN 40 HA GLN 40 65.191 -2.701 2.473
252 1HB GLN 40 HB2 GLN 40 65.206 -5.069 2.739
253 2HB GLN 40 HB1 GLN 40 63.693 -4.651 1.948
254 1HG GLN 40 HG2 GLN 40 65.709 -5.201 -0.017
255 2HG GLN 40 HG1 GLN 40 65.607 -6.527 1.128
256 1HE2 GLN 40 HE21 GLN 40 63.063 -4.365 0.024
257 2HE2 GLN 40 HE22 GLN 40 62.106 -5.581 -0.727
258 H ALA 41 HN ALA 41 66.367 -3.549 -0.726
259 HA ALA 41 HA ALA 41 69.054 -3.995 0.312
260 1HB ALA 41 HB1 ALA 41 68.639 -4.074 -2.590
261 2HB ALA 41 HB2 ALA 41 67.674 -5.222 -1.663
262 3HB ALA 41 HB3 ALA 41 69.432 -5.230 -1.520
Start of MODEL 12
1 1H GLU 1 HT1 GLU 1 48.662 9.032 -7.058
2 2H GLU 1 HT2 GLU 1 50.280 8.464 -6.976
3 3H GLU 1 HT3 GLU 1 49.934 9.972 -7.719
4 HA GLU 1 HA GLU 1 50.892 10.161 -5.510
5 1HB GLU 1 HB2 GLU 1 49.424 11.934 -4.880
6 2HB GLU 1 HB1 GLU 1 49.383 11.839 -6.634
7 1HG GLU 1 HG2 GLU 1 47.294 10.347 -6.245
8 2HG GLU 1 HG1 GLU 1 47.282 11.101 -4.651
9 H CYS 2 HN CYS 2 49.151 10.729 -3.349
10 HA CYS 2 HA CYS 2 49.287 8.482 -1.789
11 1HB CYS 2 HB2 CYS 2 46.958 9.860 -0.917
12 2HB CYS 2 HB1 CYS 2 48.570 9.907 -0.246
13 H ASP 3 HN ASP 3 47.017 9.241 -4.126
14 HA ASP 3 HA ASP 3 44.766 7.778 -3.599
15 1HB ASP 3 HB2 ASP 3 45.373 9.260 -5.608
16 2HB ASP 3 HB1 ASP 3 46.019 7.790 -6.327
17 H THR 4 HN THR 4 45.620 6.076 -6.226
18 HA THR 4 HA THR 4 45.865 3.613 -4.741
19 HB THR 4 HB THR 4 45.852 2.623 -7.110
20 HG1 THR 4 HG1 THR 4 46.447 4.715 -8.056
21 1HG2 THR 4 HG21 THR 4 43.827 2.834 -5.632
22 2HG2 THR 4 HG22 THR 4 43.519 2.772 -7.368
23 3HG2 THR 4 HG23 THR 4 43.447 4.313 -6.514
24 H ILE 5 HN ILE 5 47.887 3.624 -3.861
25 HA ILE 5 HA ILE 5 50.053 2.908 -5.601
26 HB ILE 5 HB ILE 5 51.616 4.558 -4.910
27 1HG1 ILE 5 HG12 ILE 5 51.204 5.227 -2.730
28 2HG1 ILE 5 HG11 ILE 5 50.642 6.622 -3.631
29 1HG2 ILE 5 HG21 ILE 5 49.082 5.967 -5.720
30 2HG2 ILE 5 HG22 ILE 5 50.153 5.092 -6.814
31 3HG2 ILE 5 HG23 ILE 5 50.730 6.535 -5.981
32 1HD1 ILE 5 HD11 ILE 5 48.938 4.463 -2.432
33 2HD1 ILE 5 HD12 ILE 5 48.341 5.773 -3.447
34 3HD1 ILE 5 HD13 ILE 5 49.087 6.134 -1.891
35 H ASN 6 HN ASN 6 49.339 1.096 -4.349
36 HA ASN 6 HA ASN 6 49.908 1.068 -1.539
37 1HB ASN 6 HB2 ASN 6 48.491 -0.550 -3.487
38 2HB ASN 6 HB1 ASN 6 49.361 -1.517 -2.299
39 1HD2 ASN 6 HD21 ASN 6 47.689 1.590 -2.145
40 2HD2 ASN 6 HD22 ASN 6 46.616 1.156 -0.862
41 H CYS 7 HN CYS 7 51.541 0.197 -0.503
42 HA CYS 7 HA CYS 7 54.052 -0.036 -1.645
43 1HB CYS 7 HB2 CYS 7 52.839 -0.584 0.980
44 2HB CYS 7 HB1 CYS 7 54.327 -1.467 0.655
45 H GLU 8 HN GLU 8 55.513 -1.794 -1.679
46 HA GLU 8 HA GLU 8 54.315 -4.294 -2.631
47 1HB GLU 8 HB2 GLU 8 57.147 -3.205 -2.768
48 2HB GLU 8 HB1 GLU 8 56.682 -4.801 -3.338
49 1HG GLU 8 HG2 GLU 8 54.936 -2.904 -4.524
50 2HG GLU 8 HG1 GLU 8 56.593 -2.335 -4.722
51 H ARG 9 HN ARG 9 55.636 -6.324 -1.854
52 HA ARG 9 HA ARG 9 56.399 -5.863 0.941
53 1HB ARG 9 HB2 ARG 9 55.035 -8.368 0.043
54 2HB ARG 9 HB1 ARG 9 55.371 -7.835 1.684
55 1HG ARG 9 HG2 ARG 9 53.437 -6.783 1.786
56 2HG ARG 9 HG1 ARG 9 53.813 -5.861 0.331
57 1HD ARG 9 HD2 ARG 9 51.719 -7.223 0.187
58 2HD ARG 9 HD1 ARG 9 52.907 -7.563 -1.072
59 HE ARG 9 HE ARG 9 53.017 -9.283 1.258
60 1HH1 ARG 9 HH11 ARG 9 51.779 -8.828 -1.976
61 2HH1 ARG 9 HH12 ARG 9 51.501 -10.515 -2.239
62 1HH2 ARG 9 HH21 ARG 9 52.651 -11.501 0.910
63 2HH2 ARG 9 HH22 ARG 9 51.995 -12.033 -0.602
64 H TYR 10 HN TYR 10 58.191 -6.510 1.558
65 HA TYR 10 HA TYR 10 59.912 -8.046 -0.188
66 1HB TYR 10 HB2 TYR 10 61.734 -7.174 1.066
67 2HB TYR 10 HB1 TYR 10 60.592 -5.853 0.904
68 HD1 TYR 10 HD1 TYR 10 62.784 -7.191 3.080
69 HD2 TYR 10 HD2 TYR 10 58.688 -6.099 2.907
70 HE1 TYR 10 HE1 TYR 10 62.757 -6.905 5.517
71 HE2 TYR 10 HE2 TYR 10 58.636 -5.814 5.320
72 HH TYR 10 HH TYR 10 60.977 -7.009 7.366
73 H ASN 11 HN ASN 11 58.395 -8.224 2.858
74 HA ASN 11 HA ASN 11 58.812 -11.069 3.020
75 1HB ASN 11 HB2 ASN 11 60.864 -10.185 4.071
76 2HB ASN 11 HB1 ASN 11 59.879 -9.285 5.220
77 1HD2 ASN 11 HD21 ASN 11 60.545 -12.546 4.048
78 2HD2 ASN 11 HD22 ASN 11 60.254 -13.340 5.554
79 H GLY 12 HN GLY 12 58.094 -8.621 5.506
80 1HA GLY 12 HA2 GLY 12 55.269 -9.295 5.445
81 2HA GLY 12 HA1 GLY 12 56.128 -9.800 6.891
82 H GLN 13 HN GLN 13 57.090 -6.895 5.255
83 HA GLN 13 HA GLN 13 55.611 -5.253 7.191
84 1HB GLN 13 HB2 GLN 13 58.487 -4.655 6.535
85 2HB GLN 13 HB1 GLN 13 57.500 -4.006 7.841
86 1HG GLN 13 HG2 GLN 13 58.229 -6.911 7.695
87 2HG GLN 13 HG1 GLN 13 59.265 -5.711 8.464
88 1HE2 GLN 13 HE21 GLN 13 56.986 -7.961 9.051
89 2HE2 GLN 13 HE22 GLN 13 56.322 -7.344 10.522
90 H VAL 14 HN VAL 14 55.751 -5.905 4.166
91 HA VAL 14 HA VAL 14 55.612 -4.846 2.162
92 HB VAL 14 HB VAL 14 54.117 -2.804 2.218
93 1HG1 VAL 14 HG11 VAL 14 52.181 -4.234 3.268
94 2HG1 VAL 14 HG12 VAL 14 53.415 -5.494 3.274
95 3HG1 VAL 14 HG13 VAL 14 52.953 -4.719 1.759
96 1HG2 VAL 14 HG21 VAL 14 54.741 -2.054 4.492
97 2HG2 VAL 14 HG22 VAL 14 53.923 -3.468 5.153
98 3HG2 VAL 14 HG23 VAL 14 53.002 -2.242 4.283
99 H CYS 15 HN CYS 15 57.435 -4.142 1.284
100 HA CYS 15 HA CYS 15 58.863 -2.605 0.408
101 1HB CYS 15 HB2 CYS 15 56.964 -0.939 1.666
102 2HB CYS 15 HB1 CYS 15 58.547 -0.330 2.110
103 H GLY 16 HN GLY 16 59.623 -4.372 2.522
104 1HA GLY 16 HA2 GLY 16 61.313 -4.687 4.048
105 2HA GLY 16 HA1 GLY 16 62.176 -3.535 3.068
106 H GLY 17 HN GLY 17 59.369 -3.231 5.235
107 1HA GLY 17 HA2 GLY 17 58.986 -1.904 7.062
108 2HA GLY 17 HA1 GLY 17 60.705 -2.038 7.387
109 HA PRO 18 HA PRO 18 59.362 2.290 5.747
110 1HB PRO 18 HB2 PRO 18 58.896 3.603 8.079
111 2HB PRO 18 HB1 PRO 18 57.622 2.807 7.151
112 1HG PRO 18 HG2 PRO 18 59.098 1.831 9.566
113 2HG PRO 18 HG1 PRO 18 57.369 1.716 9.188
114 1HD PRO 18 HD2 PRO 18 59.075 -0.361 8.855
115 2HD PRO 18 HD1 PRO 18 57.663 -0.108 7.809
116 H GLY 19 HN GLY 19 61.220 1.175 8.517
117 1HA GLY 19 HA2 GLY 19 62.895 3.305 9.012
118 2HA GLY 19 HA1 GLY 19 63.397 1.623 9.127
119 H ARG 20 HN ARG 20 63.082 0.959 6.394
120 HA ARG 20 HA ARG 20 65.437 2.298 5.301
121 1HB ARG 20 HB2 ARG 20 64.021 -0.226 4.424
122 2HB ARG 20 HB1 ARG 20 65.519 0.387 3.750
123 1HG ARG 20 HG2 ARG 20 66.395 -1.097 5.185
124 2HG ARG 20 HG1 ARG 20 66.254 0.263 6.296
125 1HD ARG 20 HD2 ARG 20 65.165 -1.217 7.570
126 2HD ARG 20 HD1 ARG 20 63.802 -0.827 6.534
127 HE ARG 20 HE ARG 20 63.987 -2.897 5.532
128 1HH1 ARG 20 HH11 ARG 20 66.719 -2.357 7.639
129 2HH1 ARG 20 HH12 ARG 20 67.221 -4.014 7.615
130 1HH2 ARG 20 HH21 ARG 20 64.649 -5.077 5.505
131 2HH2 ARG 20 HH22 ARG 20 66.051 -5.556 6.401
132 H GLY 21 HN GLY 21 62.134 1.374 4.436
133 1HA GLY 21 HA2 GLY 21 61.895 3.708 2.745
134 2HA GLY 21 HA1 GLY 21 61.820 2.177 1.887
135 H LEU 22 HN LEU 22 59.816 4.359 2.438
136 HA LEU 22 HA LEU 22 57.621 2.600 3.135
137 1HB LEU 22 HB2 LEU 22 57.159 3.413 5.144
138 2HB LEU 22 HB1 LEU 22 58.754 4.135 5.106
139 HG LEU 22 HG LEU 22 56.573 5.675 3.872
140 1HD1 LEU 22 HD11 LEU 22 55.239 5.383 5.665
141 2HD1 LEU 22 HD12 LEU 22 56.336 6.546 6.412
142 3HD1 LEU 22 HD13 LEU 22 56.563 4.818 6.682
143 1HD2 LEU 22 HD21 LEU 22 57.969 7.308 5.546
144 2HD2 LEU 22 HD22 LEU 22 58.372 7.018 3.854
145 3HD2 LEU 22 HD23 LEU 22 59.183 6.102 5.123
146 H CYS 23 HN CYS 23 55.839 2.993 1.988
147 HA CYS 23 HA CYS 23 55.864 5.349 0.259
148 1HB CYS 23 HB2 CYS 23 54.292 4.194 -1.153
149 2HB CYS 23 HB1 CYS 23 55.600 3.081 -0.773
150 H PHE 24 HN PHE 24 53.902 6.543 -0.148
151 HA PHE 24 HA PHE 24 51.762 6.182 1.782
152 1HB PHE 24 HB2 PHE 24 52.221 8.846 2.311
153 2HB PHE 24 HB1 PHE 24 52.590 7.504 3.378
154 HD1 PHE 24 HD1 PHE 24 54.317 8.687 0.276
155 HD2 PHE 24 HD2 PHE 24 54.502 8.041 4.477
156 HE1 PHE 24 HE1 PHE 24 56.714 9.257 0.262
157 HE2 PHE 24 HE2 PHE 24 56.892 8.610 4.473
158 HZ PHE 24 HZ PHE 24 58.003 9.211 2.366
159 H CYS 25 HN CYS 25 52.481 9.359 0.595
160 HA CYS 25 HA CYS 25 50.087 9.226 -1.037
161 1HB CYS 25 HB2 CYS 25 50.155 11.049 0.499
162 2HB CYS 25 HB1 CYS 25 51.781 11.495 -0.016
163 H GLY 26 HN GLY 26 51.234 7.818 -2.533
164 1HA GLY 26 HA2 GLY 26 51.622 8.477 -4.959
165 2HA GLY 26 HA1 GLY 26 53.026 9.312 -4.317
166 H LYS 27 HN LYS 27 54.458 7.781 -2.886
167 HA LYS 27 HA LYS 27 54.468 5.037 -3.831
168 1HB LYS 27 HB2 LYS 27 56.132 7.148 -4.923
169 2HB LYS 27 HB1 LYS 27 57.041 5.743 -4.386
170 1HG LYS 27 HG2 LYS 27 55.831 4.303 -5.853
171 2HG LYS 27 HG1 LYS 27 54.688 5.585 -6.255
172 1HD LYS 27 HD2 LYS 27 57.040 6.757 -6.928
173 2HD LYS 27 HD1 LYS 27 57.393 5.066 -7.288
174 1HE LYS 27 HE2 LYS 27 54.880 5.397 -8.342
175 2HE LYS 27 HE1 LYS 27 55.640 6.955 -8.662
176 1HZ LYS 27 HZ1 LYS 27 57.109 6.048 -10.099
177 2HZ LYS 27 HZ2 LYS 27 55.892 4.889 -10.280
178 3HZ LYS 27 HZ3 LYS 27 57.211 4.577 -9.270
179 H CYS 28 HN CYS 28 56.827 4.126 -3.256
180 HA CYS 28 HA CYS 28 57.077 4.389 -0.385
181 1HB CYS 28 HB2 CYS 28 57.231 2.220 -1.973
182 2HB CYS 28 HB1 CYS 28 58.938 2.641 -1.878
183 H ARG 29 HN ARG 29 58.220 6.004 0.354
184 HA ARG 29 HA ARG 29 60.449 7.081 -1.135
185 1HB ARG 29 HB2 ARG 29 59.267 8.805 -0.148
186 2HB ARG 29 HB1 ARG 29 58.886 7.864 1.282
187 1HG ARG 29 HG2 ARG 29 60.452 9.827 1.576
188 2HG ARG 29 HG1 ARG 29 60.970 8.287 2.257
189 1HD ARG 29 HD2 ARG 29 62.716 8.102 0.835
190 2HD ARG 29 HD1 ARG 29 61.825 8.802 -0.515
191 HE ARG 29 HE ARG 29 63.496 10.193 1.383
192 1HH1 ARG 29 HH11 ARG 29 60.936 10.495 -0.970
193 2HH1 ARG 29 HH12 ARG 29 61.238 12.174 -1.268
194 1HH2 ARG 29 HH21 ARG 29 63.893 12.402 0.995
195 2HH2 ARG 29 HH22 ARG 29 62.917 13.257 -0.153
196 H CYS 30 HN CYS 30 61.956 5.464 -1.123
197 HA CYS 30 HA CYS 30 62.881 4.420 1.430
198 1HB CYS 30 HB2 CYS 30 64.305 3.590 -1.014
199 2HB CYS 30 HB1 CYS 30 63.696 2.627 0.318
200 H HIS 31 HN HIS 31 64.728 4.930 2.378
201 HA HIS 31 HA HIS 31 66.060 7.318 1.645
202 1HB HIS 31 HB2 HIS 31 67.313 5.366 3.535
203 2HB HIS 31 HB1 HIS 31 67.211 7.120 3.644
204 HD1 HIS 31 HD1 HIS 31 64.049 7.225 3.270
205 HD2 HIS 31 HD2 HIS 31 66.124 4.856 5.981
206 HE1 HIS 31 HE1 HIS 31 62.394 6.682 5.092
207 HE2 HIS 31 HE2 HIS 31 63.707 5.336 6.771
208 HA PRO 32 HA PRO 32 69.298 6.125 -1.060
209 1HB PRO 32 HB2 PRO 32 71.270 7.425 0.721
210 2HB PRO 32 HB1 PRO 32 70.876 7.775 -0.964
211 1HG PRO 32 HG2 PRO 32 70.103 9.421 0.992
212 2HG PRO 32 HG1 PRO 32 69.056 9.100 -0.403
213 1HD PRO 32 HD2 PRO 32 68.902 7.995 2.374
214 2HD PRO 32 HD1 PRO 32 67.594 8.529 1.298
215 H GLY 33 HN GLY 33 69.921 4.173 -1.235
216 1HA GLY 33 HA2 GLY 33 71.672 2.604 -0.895
217 2HA GLY 33 HA1 GLY 33 71.718 3.053 0.800
218 H PHE 34 HN PHE 34 69.032 2.124 -1.347
219 HA PHE 34 HA PHE 34 68.637 -0.311 0.204
220 1HB PHE 34 HB2 PHE 34 66.654 1.948 0.055
221 2HB PHE 34 HB1 PHE 34 66.146 0.295 0.382
222 HD1 PHE 34 HD1 PHE 34 66.647 3.221 1.956
223 HD2 PHE 34 HD2 PHE 34 67.993 -0.809 2.187
224 HE1 PHE 34 HE1 PHE 34 67.187 3.543 4.334
225 HE2 PHE 34 HE2 PHE 34 68.532 -0.496 4.567
226 HZ PHE 34 HZ PHE 34 68.131 1.683 5.643
227 H GLU 35 HN GLU 35 67.395 -1.895 -0.838
228 HA GLU 35 HA GLU 35 66.255 -1.353 -3.434
229 1HB GLU 35 HB2 GLU 35 68.847 -2.788 -3.093
230 2HB GLU 35 HB1 GLU 35 67.724 -3.395 -4.300
231 1HG GLU 35 HG2 GLU 35 67.698 -1.220 -5.390
232 2HG GLU 35 HG1 GLU 35 68.796 -0.585 -4.165
233 H GLY 36 HN GLY 36 67.557 -4.432 -2.211
234 1HA GLY 36 HA2 GLY 36 66.466 -6.435 -1.813
235 2HA GLY 36 HA1 GLY 36 65.399 -5.423 -0.844
236 H SER 37 HN SER 37 63.671 -6.892 -1.389
237 HA SER 37 HA SER 37 62.819 -7.113 -4.131
238 1HB SER 37 HB2 SER 37 62.088 -8.296 -1.602
239 2HB SER 37 HB1 SER 37 60.643 -7.685 -2.407
240 HG SER 37 HG SER 37 62.492 -9.616 -3.300
241 H ALA 38 HN ALA 38 62.718 -4.830 -1.717
242 HA ALA 38 HA ALA 38 60.769 -3.181 -3.148
243 1HB ALA 38 HB1 ALA 38 60.417 -2.393 -0.586
244 2HB ALA 38 HB2 ALA 38 60.656 -4.128 -0.378
245 3HB ALA 38 HB3 ALA 38 59.368 -3.535 -1.427
246 H CYS 39 HN CYS 39 62.398 -2.687 -0.080
247 HA CYS 39 HA CYS 39 64.512 -1.180 -1.217
248 1HB CYS 39 HB2 CYS 39 62.392 0.259 0.372
249 2HB CYS 39 HB1 CYS 39 63.988 0.918 0.046
250 H GLN 40 HN GLN 40 64.588 -3.450 0.300
251 HA GLN 40 HA GLN 40 65.197 -2.619 3.041
252 1HB GLN 40 HB2 GLN 40 65.124 -4.926 3.639
253 2HB GLN 40 HB1 GLN 40 63.743 -4.612 2.599
254 1HG GLN 40 HG2 GLN 40 65.970 -5.447 1.011
255 2HG GLN 40 HG1 GLN 40 65.708 -6.594 2.313
256 1HE2 GLN 40 HE21 GLN 40 63.356 -4.617 0.602
257 2HE2 GLN 40 HE22 GLN 40 62.476 -5.932 -0.077
258 H ALA 41 HN ALA 41 66.783 -3.914 0.187
259 HA ALA 41 HA ALA 41 69.288 -4.223 1.645
260 1HB ALA 41 HB1 ALA 41 68.160 -5.698 -0.336
261 2HB ALA 41 HB2 ALA 41 69.871 -5.721 0.089
262 3HB ALA 41 HB3 ALA 41 69.307 -4.711 -1.242
Start of MODEL 13
1 1H GLU 1 HT1 GLU 1 45.746 13.407 -5.309
2 2H GLU 1 HT2 GLU 1 45.780 11.705 -5.085
3 3H GLU 1 HT3 GLU 1 47.112 12.667 -4.585
4 HA GLU 1 HA GLU 1 45.972 13.585 -2.844
5 1HB GLU 1 HB2 GLU 1 43.539 13.309 -2.581
6 2HB GLU 1 HB1 GLU 1 43.940 14.110 -4.094
7 1HG GLU 1 HG2 GLU 1 43.423 12.214 -5.366
8 2HG GLU 1 HG1 GLU 1 43.444 11.157 -3.954
9 H CYS 2 HN CYS 2 47.238 10.992 -3.517
10 HA CYS 2 HA CYS 2 47.721 9.021 -2.498
11 1HB CYS 2 HB2 CYS 2 46.037 9.618 -0.118
12 2HB CYS 2 HB1 CYS 2 47.668 8.983 -0.205
13 H ASP 3 HN ASP 3 46.905 7.169 -3.166
14 HA ASP 3 HA ASP 3 44.140 6.454 -2.581
15 1HB ASP 3 HB2 ASP 3 44.487 7.692 -4.878
16 2HB ASP 3 HB1 ASP 3 45.064 6.115 -5.403
17 H THR 4 HN THR 4 44.671 4.405 -4.888
18 HA THR 4 HA THR 4 45.733 2.357 -3.171
19 HB THR 4 HB THR 4 45.294 0.955 -5.321
20 HG1 THR 4 HG1 THR 4 45.057 2.624 -6.783
21 1HG2 THR 4 HG21 THR 4 43.781 1.249 -3.211
22 2HG2 THR 4 HG22 THR 4 43.163 0.469 -4.667
23 3HG2 THR 4 HG23 THR 4 42.762 2.153 -4.331
24 H ILE 5 HN ILE 5 47.826 2.331 -2.972
25 HA ILE 5 HA ILE 5 49.527 1.985 -5.274
26 HB ILE 5 HB ILE 5 51.115 3.723 -4.536
27 1HG1 ILE 5 HG12 ILE 5 49.726 3.813 -2.236
28 2HG1 ILE 5 HG11 ILE 5 50.739 5.134 -2.791
29 1HG2 ILE 5 HG21 ILE 5 49.946 5.586 -5.582
30 2HG2 ILE 5 HG22 ILE 5 48.402 4.772 -5.329
31 3HG2 ILE 5 HG23 ILE 5 49.595 4.080 -6.429
32 1HD1 ILE 5 HD11 ILE 5 48.258 5.496 -1.966
33 2HD1 ILE 5 HD12 ILE 5 47.908 5.122 -3.654
34 3HD1 ILE 5 HD13 ILE 5 48.967 6.473 -3.252
35 H ASN 6 HN ASN 6 49.227 0.029 -3.922
36 HA ASN 6 HA ASN 6 50.689 -0.077 -1.452
37 1HB ASN 6 HB2 ASN 6 48.838 -1.769 -2.972
38 2HB ASN 6 HB1 ASN 6 50.059 -2.651 -2.057
39 1HD2 ASN 6 HD21 ASN 6 48.369 0.376 -1.410
40 2HD2 ASN 6 HD22 ASN 6 47.676 -0.120 0.093
41 H CYS 7 HN CYS 7 52.717 0.493 -2.116
42 HA CYS 7 HA CYS 7 54.310 -0.362 -4.123
43 1HB CYS 7 HB2 CYS 7 55.060 0.154 -1.245
44 2HB CYS 7 HB1 CYS 7 56.224 0.013 -2.554
45 H GLU 8 HN GLU 8 56.351 -1.739 -3.850
46 HA GLU 8 HA GLU 8 55.564 -4.462 -3.589
47 1HB GLU 8 HB2 GLU 8 58.380 -3.385 -3.753
48 2HB GLU 8 HB1 GLU 8 57.832 -4.994 -4.194
49 1HG GLU 8 HG2 GLU 8 56.280 -3.384 -5.778
50 2HG GLU 8 HG1 GLU 8 57.817 -2.522 -5.733
51 H ARG 9 HN ARG 9 55.756 -5.825 -1.896
52 HA ARG 9 HA ARG 9 56.913 -4.719 0.561
53 1HB ARG 9 HB2 ARG 9 55.184 -7.172 0.284
54 2HB ARG 9 HB1 ARG 9 55.645 -6.355 1.771
55 1HG ARG 9 HG2 ARG 9 53.977 -4.904 1.609
56 2HG ARG 9 HG1 ARG 9 54.310 -4.581 -0.093
57 1HD ARG 9 HD2 ARG 9 52.348 -5.611 -0.459
58 2HD ARG 9 HD1 ARG 9 53.262 -7.094 -0.203
59 HE ARG 9 HE ARG 9 52.351 -7.268 1.951
60 1HH1 ARG 9 HH11 ARG 9 51.147 -4.452 0.261
61 2HH1 ARG 9 HH12 ARG 9 49.818 -4.223 1.345
62 1HH2 ARG 9 HH21 ARG 9 50.606 -6.954 3.374
63 2HH2 ARG 9 HH22 ARG 9 49.511 -5.638 3.110
64 H TYR 10 HN TYR 10 58.599 -5.474 1.500
65 HA TYR 10 HA TYR 10 60.092 -7.580 0.204
66 1HB TYR 10 HB2 TYR 10 61.942 -6.907 1.491
67 2HB TYR 10 HB1 TYR 10 61.082 -5.428 1.113
68 HD1 TYR 10 HD1 TYR 10 62.989 -6.624 3.500
69 HD2 TYR 10 HD2 TYR 10 58.961 -5.336 3.081
70 HE1 TYR 10 HE1 TYR 10 62.947 -5.986 5.866
71 HE2 TYR 10 HE2 TYR 10 58.904 -4.713 5.443
72 HH TYR 10 HH TYR 10 61.722 -4.544 7.376
73 H ASN 11 HN ASN 11 58.288 -7.165 3.058
74 HA ASN 11 HA ASN 11 58.208 -10.001 3.533
75 1HB ASN 11 HB2 ASN 11 59.703 -8.148 5.347
76 2HB ASN 11 HB1 ASN 11 58.818 -9.498 6.052
77 1HD2 ASN 11 HD21 ASN 11 59.311 -11.648 5.188
78 2HD2 ASN 11 HD22 ASN 11 60.933 -11.986 4.697
79 H GLY 12 HN GLY 12 57.729 -7.485 5.951
80 1HA GLY 12 HA2 GLY 12 54.837 -8.061 5.881
81 2HA GLY 12 HA1 GLY 12 55.718 -7.486 7.292
82 H GLN 13 HN GLN 13 57.196 -5.663 5.302
83 HA GLN 13 HA GLN 13 55.170 -3.532 5.296
84 1HB GLN 13 HB2 GLN 13 58.187 -3.295 5.221
85 2HB GLN 13 HB1 GLN 13 57.059 -1.965 5.366
86 1HG GLN 13 HG2 GLN 13 57.361 -4.178 7.381
87 2HG GLN 13 HG1 GLN 13 58.101 -2.588 7.511
88 1HE2 GLN 13 HE21 GLN 13 56.085 -0.947 6.689
89 2HE2 GLN 13 HE22 GLN 13 54.759 -1.048 7.790
90 H VAL 14 HN VAL 14 55.180 -2.075 3.418
91 HA VAL 14 HA VAL 14 55.692 -3.616 1.017
92 HB VAL 14 HB VAL 14 54.218 -2.208 -0.152
93 1HG1 VAL 14 HG11 VAL 14 52.366 -1.874 1.805
94 2HG1 VAL 14 HG12 VAL 14 53.419 -3.093 2.522
95 3HG1 VAL 14 HG13 VAL 14 52.672 -3.388 0.953
96 1HG2 VAL 14 HG21 VAL 14 53.756 -0.257 2.012
97 2HG2 VAL 14 HG22 VAL 14 53.795 -0.033 0.264
98 3HG2 VAL 14 HG23 VAL 14 55.299 -0.130 1.173
99 H CYS 15 HN CYS 15 57.932 -2.409 2.410
100 HA CYS 15 HA CYS 15 59.205 -1.344 0.106
101 1HB CYS 15 HB2 CYS 15 58.858 0.502 2.471
102 2HB CYS 15 HB1 CYS 15 59.831 0.831 1.062
103 H GLY 16 HN GLY 16 59.929 -3.535 1.574
104 1HA GLY 16 HA2 GLY 16 61.775 -4.379 2.696
105 2HA GLY 16 HA1 GLY 16 62.601 -2.924 2.227
106 H GLY 17 HN GLY 17 59.730 -2.445 4.022
107 1HA GLY 17 HA2 GLY 17 59.354 -2.131 6.304
108 2HA GLY 17 HA1 GLY 17 61.048 -2.404 6.613
109 HA PRO 18 HA PRO 18 59.625 2.262 6.215
110 1HB PRO 18 HB2 PRO 18 59.444 2.771 8.933
111 2HB PRO 18 HB1 PRO 18 58.073 2.509 7.851
112 1HG PRO 18 HG2 PRO 18 59.419 0.596 9.705
113 2HG PRO 18 HG1 PRO 18 57.695 0.771 9.328
114 1HD PRO 18 HD2 PRO 18 59.172 -1.208 8.281
115 2HD PRO 18 HD1 PRO 18 57.879 -0.424 7.349
116 H GLY 19 HN GLY 19 61.577 0.653 8.732
117 1HA GLY 19 HA2 GLY 19 63.353 2.628 9.392
118 2HA GLY 19 HA1 GLY 19 63.814 0.936 9.246
119 H ARG 20 HN ARG 20 63.305 0.700 6.457
120 HA ARG 20 HA ARG 20 65.573 2.231 5.417
121 1HB ARG 20 HB2 ARG 20 64.371 -0.374 4.473
122 2HB ARG 20 HB1 ARG 20 65.762 0.419 3.760
123 1HG ARG 20 HG2 ARG 20 66.806 -1.076 5.082
124 2HG ARG 20 HG1 ARG 20 66.697 0.277 6.200
125 1HD ARG 20 HD2 ARG 20 65.960 -1.479 7.477
126 2HD ARG 20 HD1 ARG 20 64.448 -0.810 6.883
127 HE ARG 20 HE ARG 20 64.113 -2.719 5.650
128 1HH1 ARG 20 HH11 ARG 20 67.387 -2.687 6.855
129 2HH1 ARG 20 HH12 ARG 20 67.695 -4.336 6.424
130 1HH2 ARG 20 HH21 ARG 20 64.512 -4.887 5.085
131 2HH2 ARG 20 HH22 ARG 20 66.062 -5.586 5.417
132 H GLY 21 HN GLY 21 62.177 1.659 5.053
133 1HA GLY 21 HA2 GLY 21 61.767 3.860 3.383
134 2HA GLY 21 HA1 GLY 21 61.845 2.439 2.358
135 H LEU 22 HN LEU 22 59.583 4.283 2.937
136 HA LEU 22 HA LEU 22 57.655 2.228 3.688
137 1HB LEU 22 HB2 LEU 22 56.462 3.606 5.189
138 2HB LEU 22 HB1 LEU 22 58.148 3.598 5.684
139 HG LEU 22 HG LEU 22 57.355 5.705 3.845
140 1HD1 LEU 22 HD11 LEU 22 56.276 5.498 6.627
141 2HD1 LEU 22 HD12 LEU 22 55.415 5.879 5.135
142 3HD1 LEU 22 HD13 LEU 22 56.519 7.059 5.844
143 1HD2 LEU 22 HD21 LEU 22 59.543 5.880 4.544
144 2HD2 LEU 22 HD22 LEU 22 59.165 5.355 6.183
145 3HD2 LEU 22 HD23 LEU 22 58.721 6.978 5.653
146 H CYS 23 HN CYS 23 55.679 2.317 2.726
147 HA CYS 23 HA CYS 23 55.449 4.214 0.500
148 1HB CYS 23 HB2 CYS 23 55.301 1.674 0.126
149 2HB CYS 23 HB1 CYS 23 53.737 1.777 0.912
150 H PHE 24 HN PHE 24 53.614 5.525 0.202
151 HA PHE 24 HA PHE 24 51.420 5.131 2.044
152 1HB PHE 24 HB2 PHE 24 51.724 7.665 2.815
153 2HB PHE 24 HB1 PHE 24 52.396 6.305 3.696
154 HD1 PHE 24 HD1 PHE 24 54.086 7.592 4.760
155 HD2 PHE 24 HD2 PHE 24 53.856 7.458 0.510
156 HE1 PHE 24 HE1 PHE 24 56.320 8.574 4.611
157 HE2 PHE 24 HE2 PHE 24 56.100 8.438 0.362
158 HZ PHE 24 HZ PHE 24 57.329 8.985 2.415
159 H CYS 25 HN CYS 25 51.789 8.409 1.238
160 HA CYS 25 HA CYS 25 49.460 8.338 -0.358
161 1HB CYS 25 HB2 CYS 25 49.886 10.199 1.093
162 2HB CYS 25 HB1 CYS 25 51.412 10.547 0.282
163 H GLY 26 HN GLY 26 50.479 6.749 -1.930
164 1HA GLY 26 HA2 GLY 26 50.525 6.991 -4.352
165 2HA GLY 26 HA1 GLY 26 51.634 8.326 -4.133
166 H LYS 27 HN LYS 27 53.442 7.004 -2.266
167 HA LYS 27 HA LYS 27 54.346 4.646 -3.719
168 1HB LYS 27 HB2 LYS 27 55.255 7.280 -4.282
169 2HB LYS 27 HB1 LYS 27 56.588 6.342 -3.631
170 1HG LYS 27 HG2 LYS 27 56.599 4.868 -5.400
171 2HG LYS 27 HG1 LYS 27 54.906 5.169 -5.797
172 1HD LYS 27 HD2 LYS 27 56.352 7.611 -6.077
173 2HD LYS 27 HD1 LYS 27 57.221 6.341 -6.940
174 1HE LYS 27 HE2 LYS 27 55.613 6.124 -8.500
175 2HE LYS 27 HE1 LYS 27 54.310 6.338 -7.332
176 1HZ LYS 27 HZ1 LYS 27 54.612 8.693 -7.401
177 2HZ LYS 27 HZ2 LYS 27 54.466 8.140 -8.993
178 3HZ LYS 27 HZ3 LYS 27 55.987 8.552 -8.380
179 H CYS 28 HN CYS 28 56.949 4.540 -3.033
180 HA CYS 28 HA CYS 28 56.874 3.846 -0.228
181 1HB CYS 28 HB2 CYS 28 58.740 3.382 -2.514
182 2HB CYS 28 HB1 CYS 28 59.421 3.345 -0.898
183 H ARG 29 HN ARG 29 59.258 4.340 0.753
184 HA ARG 29 HA ARG 29 60.139 7.041 0.256
185 1HB ARG 29 HB2 ARG 29 58.291 7.555 1.687
186 2HB ARG 29 HB1 ARG 29 58.699 6.257 2.793
187 1HG ARG 29 HG2 ARG 29 60.619 7.428 3.561
188 2HG ARG 29 HG1 ARG 29 60.429 8.669 2.330
189 1HD ARG 29 HD2 ARG 29 58.747 9.702 3.459
190 2HD ARG 29 HD1 ARG 29 58.165 8.200 4.175
191 HE ARG 29 HE ARG 29 60.537 8.565 5.401
192 1HH1 ARG 29 HH11 ARG 29 57.777 10.649 4.922
193 2HH1 ARG 29 HH12 ARG 29 58.036 11.536 6.387
194 1HH2 ARG 29 HH21 ARG 29 60.883 9.736 7.322
195 2HH2 ARG 29 HH22 ARG 29 59.800 11.020 7.747
196 H CYS 30 HN CYS 30 61.745 5.262 -0.286
197 HA CYS 30 HA CYS 30 63.149 4.187 2.010
198 1HB CYS 30 HB2 CYS 30 64.398 3.765 -0.607
199 2HB CYS 30 HB1 CYS 30 63.949 2.604 0.626
200 H HIS 31 HN HIS 31 65.114 4.750 2.708
201 HA HIS 31 HA HIS 31 66.083 7.363 1.964
202 1HB HIS 31 HB2 HIS 31 67.580 5.588 3.844
203 2HB HIS 31 HB1 HIS 31 67.283 7.321 3.936
204 HD1 HIS 31 HD1 HIS 31 64.171 7.227 3.767
205 HD2 HIS 31 HD2 HIS 31 66.489 4.821 6.239
206 HE1 HIS 31 HE1 HIS 31 62.632 6.495 5.621
207 HE2 HIS 31 HE2 HIS 31 64.082 5.101 7.145
208 HA PRO 32 HA PRO 32 69.369 6.444 -0.780
209 1HB PRO 32 HB2 PRO 32 71.287 7.725 1.079
210 2HB PRO 32 HB1 PRO 32 70.919 8.119 -0.602
211 1HG PRO 32 HG2 PRO 32 70.049 9.684 1.372
212 2HG PRO 32 HG1 PRO 32 69.030 9.350 -0.040
213 1HD PRO 32 HD2 PRO 32 68.886 8.188 2.710
214 2HD PRO 32 HD1 PRO 32 67.572 8.683 1.621
215 H GLY 33 HN GLY 33 70.022 4.508 -1.036
216 1HA GLY 33 HA2 GLY 33 71.827 2.978 -0.780
217 2HA GLY 33 HA1 GLY 33 71.869 3.349 0.934
218 H PHE 34 HN PHE 34 69.185 2.459 -1.232
219 HA PHE 34 HA PHE 34 68.871 -0.065 0.186
220 1HB PHE 34 HB2 PHE 34 66.802 2.122 0.155
221 2HB PHE 34 HB1 PHE 34 66.384 0.438 0.453
222 HD1 PHE 34 HD1 PHE 34 68.429 -0.569 2.159
223 HD2 PHE 34 HD2 PHE 34 66.669 3.304 2.119
224 HE1 PHE 34 HE1 PHE 34 69.000 -0.290 4.536
225 HE2 PHE 34 HE2 PHE 34 67.237 3.592 4.495
226 HZ PHE 34 HZ PHE 34 68.405 1.793 5.707
227 H GLU 35 HN GLU 35 67.715 -1.640 -0.960
228 HA GLU 35 HA GLU 35 66.546 -0.948 -3.518
229 1HB GLU 35 HB2 GLU 35 69.210 -2.136 -3.255
230 2HB GLU 35 HB1 GLU 35 68.139 -3.052 -4.305
231 1HG GLU 35 HG2 GLU 35 68.388 -1.593 -5.938
232 2HG GLU 35 HG1 GLU 35 67.932 -0.256 -4.883
233 H GLY 36 HN GLY 36 67.843 -4.127 -2.643
234 1HA GLY 36 HA2 GLY 36 66.759 -6.147 -2.374
235 2HA GLY 36 HA1 GLY 36 65.681 -5.232 -1.325
236 H SER 37 HN SER 37 63.937 -6.577 -1.992
237 HA SER 37 HA SER 37 63.102 -6.553 -4.758
238 1HB SER 37 HB2 SER 37 62.596 -8.491 -3.275
239 2HB SER 37 HB1 SER 37 61.590 -7.441 -2.278
240 HG SER 37 HG SER 37 61.180 -8.075 -5.015
241 H ALA 38 HN ALA 38 62.851 -4.700 -1.964
242 HA ALA 38 HA ALA 38 60.915 -2.867 -3.194
243 1HB ALA 38 HB1 ALA 38 60.737 -2.408 -0.500
244 2HB ALA 38 HB2 ALA 38 60.905 -4.162 -0.578
245 3HB ALA 38 HB3 ALA 38 59.596 -3.361 -1.447
246 H CYS 39 HN CYS 39 62.687 -2.676 -0.168
247 HA CYS 39 HA CYS 39 64.754 -1.082 -1.261
248 1HB CYS 39 HB2 CYS 39 62.734 0.228 0.549
249 2HB CYS 39 HB1 CYS 39 64.314 0.905 0.185
250 H GLN 40 HN GLN 40 64.874 -3.481 0.052
251 HA GLN 40 HA GLN 40 65.724 -2.854 2.793
252 1HB GLN 40 HB2 GLN 40 65.663 -5.275 3.169
253 2HB GLN 40 HB1 GLN 40 64.125 -4.684 2.553
254 1HG GLN 40 HG2 GLN 40 66.004 -5.587 0.494
255 2HG GLN 40 HG1 GLN 40 65.455 -6.845 1.589
256 1HE2 GLN 40 HE21 GLN 40 64.097 -7.940 0.268
257 2HE2 GLN 40 HE22 GLN 40 62.687 -7.253 -0.462
258 H ALA 41 HN ALA 41 66.916 -4.115 -0.254
259 HA ALA 41 HA ALA 41 69.541 -4.614 0.932
260 1HB ALA 41 HB1 ALA 41 68.055 -5.997 -0.924
261 2HB ALA 41 HB2 ALA 41 69.765 -6.239 -0.574
262 3HB ALA 41 HB3 ALA 41 69.278 -5.191 -1.905
Start of MODEL 14
1 1H GLU 1 HT1 GLU 1 48.750 12.407 -8.372
2 2H GLU 1 HT2 GLU 1 47.805 12.788 -6.991
3 3H GLU 1 HT3 GLU 1 47.878 11.172 -7.563
4 HA GLU 1 HA GLU 1 50.334 11.326 -7.167
5 1HB GLU 1 HB2 GLU 1 49.276 13.717 -5.655
6 2HB GLU 1 HB1 GLU 1 50.825 12.968 -5.293
7 1HG GLU 1 HG2 GLU 1 50.075 14.086 -7.983
8 2HG GLU 1 HG1 GLU 1 50.971 14.972 -6.750
9 H CYS 2 HN CYS 2 47.864 12.246 -4.746
10 HA CYS 2 HA CYS 2 48.554 9.817 -3.250
11 1HB CYS 2 HB2 CYS 2 46.644 11.640 -1.987
12 2HB CYS 2 HB1 CYS 2 48.112 10.926 -1.339
13 H ASP 3 HN ASP 3 47.407 8.168 -3.987
14 HA ASP 3 HA ASP 3 44.540 8.158 -3.706
15 1HB ASP 3 HB2 ASP 3 45.812 7.810 -6.423
16 2HB ASP 3 HB1 ASP 3 44.130 7.442 -6.052
17 H THR 4 HN THR 4 45.093 5.871 -5.925
18 HA THR 4 HA THR 4 45.363 3.792 -3.942
19 HB THR 4 HB THR 4 43.731 3.253 -5.524
20 HG1 THR 4 HG1 THR 4 45.023 1.467 -5.268
21 1HG2 THR 4 HG21 THR 4 44.339 3.185 -7.994
22 2HG2 THR 4 HG22 THR 4 45.663 4.264 -7.554
23 3HG2 THR 4 HG23 THR 4 43.993 4.751 -7.261
24 H ILE 5 HN ILE 5 47.485 4.050 -3.258
25 HA ILE 5 HA ILE 5 49.456 2.750 -4.892
26 HB ILE 5 HB ILE 5 51.111 4.471 -4.836
27 1HG1 ILE 5 HG12 ILE 5 50.869 5.828 -2.988
28 2HG1 ILE 5 HG11 ILE 5 50.227 6.868 -4.247
29 1HG2 ILE 5 HG21 ILE 5 49.495 4.399 -6.711
30 2HG2 ILE 5 HG22 ILE 5 50.216 5.990 -6.460
31 3HG2 ILE 5 HG23 ILE 5 48.572 5.669 -5.908
32 1HD1 ILE 5 HD11 ILE 5 48.795 7.028 -2.375
33 2HD1 ILE 5 HD12 ILE 5 48.671 5.273 -2.243
34 3HD1 ILE 5 HD13 ILE 5 47.954 6.108 -3.619
35 H ASN 6 HN ASN 6 48.788 1.469 -3.054
36 HA ASN 6 HA ASN 6 49.709 2.270 -0.459
37 1HB ASN 6 HB2 ASN 6 48.001 0.221 -1.622
38 2HB ASN 6 HB1 ASN 6 48.974 -0.367 -0.275
39 1HD2 ASN 6 HD21 ASN 6 47.545 2.792 -0.917
40 2HD2 ASN 6 HD22 ASN 6 46.577 2.850 0.514
41 H CYS 7 HN CYS 7 51.183 1.128 0.813
42 HA CYS 7 HA CYS 7 53.691 0.852 -0.086
43 1HB CYS 7 HB2 CYS 7 52.297 -0.550 2.163
44 2HB CYS 7 HB1 CYS 7 53.998 -0.845 1.845
45 H GLU 8 HN GLU 8 55.078 -0.676 -0.787
46 HA GLU 8 HA GLU 8 53.940 -2.914 -2.261
47 1HB GLU 8 HB2 GLU 8 56.804 -1.922 -2.070
48 2HB GLU 8 HB1 GLU 8 56.220 -3.157 -3.176
49 1HG GLU 8 HG2 GLU 8 54.732 -1.460 -4.208
50 2HG GLU 8 HG1 GLU 8 55.473 -0.242 -3.169
51 H ARG 9 HN ARG 9 55.593 -4.956 -2.134
52 HA ARG 9 HA ARG 9 56.341 -5.344 0.654
53 1HB ARG 9 HB2 ARG 9 54.790 -7.460 -0.794
54 2HB ARG 9 HB1 ARG 9 55.302 -7.449 0.894
55 1HG ARG 9 HG2 ARG 9 53.661 -5.987 1.517
56 2HG ARG 9 HG1 ARG 9 53.536 -5.265 -0.087
57 1HD ARG 9 HD2 ARG 9 52.820 -7.977 -0.360
58 2HD ARG 9 HD1 ARG 9 51.986 -7.377 1.073
59 HE ARG 9 HE ARG 9 50.688 -6.042 -0.269
60 1HH1 ARG 9 HH11 ARG 9 53.358 -7.293 -2.139
61 2HH1 ARG 9 HH12 ARG 9 52.722 -6.739 -3.649
62 1HH2 ARG 9 HH21 ARG 9 49.852 -5.312 -2.256
63 2HH2 ARG 9 HH22 ARG 9 50.733 -5.613 -3.717
64 H TYR 10 HN TYR 10 58.133 -6.206 0.951
65 HA TYR 10 HA TYR 10 59.613 -7.344 -1.285
66 1HB TYR 10 HB2 TYR 10 61.582 -6.787 -0.091
67 2HB TYR 10 HB1 TYR 10 60.492 -5.447 0.171
68 HD1 TYR 10 HD1 TYR 10 58.842 -6.127 2.328
69 HD2 TYR 10 HD2 TYR 10 62.901 -7.186 1.685
70 HE1 TYR 10 HE1 TYR 10 59.178 -6.271 4.732
71 HE2 TYR 10 HE2 TYR 10 63.247 -7.336 4.111
72 HH TYR 10 HH TYR 10 60.935 -6.205 6.377
73 H ASN 11 HN ASN 11 61.409 -8.735 0.728
74 HA ASN 11 HA ASN 11 59.829 -11.173 0.807
75 1HB ASN 11 HB2 ASN 11 62.421 -10.720 0.133
76 2HB ASN 11 HB1 ASN 11 62.603 -11.252 1.801
77 1HD2 ASN 11 HD21 ASN 11 63.762 -12.879 0.236
78 2HD2 ASN 11 HD22 ASN 11 62.837 -14.295 -0.121
79 H GLY 12 HN GLY 12 58.449 -10.192 2.612
80 1HA GLY 12 HA2 GLY 12 58.478 -11.443 4.898
81 2HA GLY 12 HA1 GLY 12 59.819 -10.360 5.208
82 H GLN 13 HN GLN 13 58.318 -8.151 3.694
83 HA GLN 13 HA GLN 13 56.017 -7.672 5.389
84 1HB GLN 13 HB2 GLN 13 58.206 -5.619 5.479
85 2HB GLN 13 HB1 GLN 13 56.844 -5.809 6.572
86 1HG GLN 13 HG2 GLN 13 57.892 -7.903 7.418
87 2HG GLN 13 HG1 GLN 13 59.302 -7.536 6.424
88 1HE2 GLN 13 HE21 GLN 13 57.208 -6.058 8.869
89 2HE2 GLN 13 HE22 GLN 13 58.472 -5.225 9.702
90 H VAL 14 HN VAL 14 56.090 -4.824 5.009
91 HA VAL 14 HA VAL 14 55.598 -4.720 2.120
92 HB VAL 14 HB VAL 14 54.103 -2.834 2.555
93 1HG1 VAL 14 HG11 VAL 14 52.708 -4.595 2.567
94 2HG1 VAL 14 HG12 VAL 14 52.577 -4.248 4.291
95 3HG1 VAL 14 HG13 VAL 14 53.687 -5.495 3.724
96 1HG2 VAL 14 HG21 VAL 14 53.471 -2.442 5.010
97 2HG2 VAL 14 HG22 VAL 14 54.983 -1.744 4.429
98 3HG2 VAL 14 HG23 VAL 14 55.005 -3.221 5.392
99 H CYS 15 HN CYS 15 57.147 -3.749 1.015
100 HA CYS 15 HA CYS 15 58.680 -2.224 0.342
101 1HB CYS 15 HB2 CYS 15 57.186 -0.751 2.400
102 2HB CYS 15 HB1 CYS 15 58.803 -0.149 2.074
103 H GLY 16 HN GLY 16 59.678 -4.345 1.764
104 1HA GLY 16 HA2 GLY 16 61.512 -4.978 3.019
105 2HA GLY 16 HA1 GLY 16 62.189 -3.448 2.562
106 H GLY 17 HN GLY 17 59.217 -3.743 4.349
107 1HA GLY 17 HA2 GLY 17 58.619 -3.236 6.500
108 2HA GLY 17 HA1 GLY 17 60.274 -3.571 6.974
109 HA PRO 18 HA PRO 18 59.013 1.136 6.797
110 1HB PRO 18 HB2 PRO 18 58.724 1.480 9.524
111 2HB PRO 18 HB1 PRO 18 57.391 1.281 8.382
112 1HG PRO 18 HG2 PRO 18 58.686 -0.745 10.158
113 2HG PRO 18 HG1 PRO 18 56.969 -0.531 9.764
114 1HD PRO 18 HD2 PRO 18 58.438 -2.461 8.619
115 2HD PRO 18 HD1 PRO 18 57.180 -1.594 7.711
116 H GLY 19 HN GLY 19 60.942 -0.839 8.991
117 1HA GLY 19 HA2 GLY 19 62.677 1.064 10.014
118 2HA GLY 19 HA1 GLY 19 63.116 -0.607 9.700
119 H ARG 20 HN ARG 20 62.447 -0.104 6.772
120 HA ARG 20 HA ARG 20 65.026 1.140 6.094
121 1HB ARG 20 HB2 ARG 20 63.491 -0.544 4.163
122 2HB ARG 20 HB1 ARG 20 65.223 -0.306 4.308
123 1HG ARG 20 HG2 ARG 20 63.586 -1.828 6.314
124 2HG ARG 20 HG1 ARG 20 64.399 -2.573 4.938
125 1HD ARG 20 HD2 ARG 20 66.228 -0.875 6.348
126 2HD ARG 20 HD1 ARG 20 65.467 -2.002 7.472
127 HE ARG 20 HE ARG 20 66.408 -3.233 5.054
128 1HH1 ARG 20 HH11 ARG 20 67.289 -2.220 8.276
129 2HH1 ARG 20 HH12 ARG 20 68.595 -3.350 8.410
130 1HH2 ARG 20 HH21 ARG 20 68.126 -4.720 5.228
131 2HH2 ARG 20 HH22 ARG 20 69.070 -4.770 6.679
132 H GLY 21 HN GLY 21 61.585 1.158 5.400
133 1HA GLY 21 HA2 GLY 21 61.616 3.845 4.535
134 2HA GLY 21 HA1 GLY 21 61.586 2.795 3.129
135 H LEU 22 HN LEU 22 59.560 4.613 3.699
136 HA LEU 22 HA LEU 22 57.336 2.803 4.282
137 1HB LEU 22 HB2 LEU 22 56.189 5.136 4.894
138 2HB LEU 22 HB1 LEU 22 56.969 4.102 6.080
139 HG LEU 22 HG LEU 22 58.784 5.892 4.748
140 1HD1 LEU 22 HD11 LEU 22 56.609 7.223 4.883
141 2HD1 LEU 22 HD12 LEU 22 58.053 7.961 5.576
142 3HD1 LEU 22 HD13 LEU 22 56.856 7.206 6.629
143 1HD2 LEU 22 HD21 LEU 22 58.343 5.955 7.673
144 2HD2 LEU 22 HD22 LEU 22 59.849 5.886 6.758
145 3HD2 LEU 22 HD23 LEU 22 58.878 4.429 6.970
146 H CYS 23 HN CYS 23 55.202 4.191 3.520
147 HA CYS 23 HA CYS 23 55.765 5.227 0.840
148 1HB CYS 23 HB2 CYS 23 54.176 3.808 -0.211
149 2HB CYS 23 HB1 CYS 23 55.173 2.765 0.797
150 H PHE 24 HN PHE 24 54.228 6.678 -0.028
151 HA PHE 24 HA PHE 24 51.855 7.227 1.554
152 1HB PHE 24 HB2 PHE 24 52.790 9.796 1.527
153 2HB PHE 24 HB1 PHE 24 52.842 8.724 2.918
154 HD1 PHE 24 HD1 PHE 24 54.896 9.059 -0.190
155 HD2 PHE 24 HD2 PHE 24 54.760 8.971 4.058
156 HE1 PHE 24 HE1 PHE 24 57.359 9.223 -0.105
157 HE2 PHE 24 HE2 PHE 24 57.215 9.134 4.157
158 HZ PHE 24 HZ PHE 24 58.516 9.258 2.074
159 H CYS 25 HN CYS 25 51.190 9.666 0.727
160 HA CYS 25 HA CYS 25 49.799 9.647 -1.466
161 1HB CYS 25 HB2 CYS 25 49.947 11.664 -0.259
162 2HB CYS 25 HB1 CYS 25 51.698 11.760 -0.481
163 H GLY 26 HN GLY 26 50.653 8.089 -2.966
164 1HA GLY 26 HA2 GLY 26 51.417 8.382 -5.304
165 2HA GLY 26 HA1 GLY 26 52.823 9.191 -4.634
166 H LYS 27 HN LYS 27 54.119 7.741 -3.013
167 HA LYS 27 HA LYS 27 53.986 4.911 -3.675
168 1HB LYS 27 HB2 LYS 27 55.650 6.774 -5.044
169 2HB LYS 27 HB1 LYS 27 56.648 5.611 -4.190
170 1HG LYS 27 HG2 LYS 27 54.908 3.922 -5.313
171 2HG LYS 27 HG1 LYS 27 54.839 5.228 -6.497
172 1HD LYS 27 HD2 LYS 27 57.510 4.306 -5.567
173 2HD LYS 27 HD1 LYS 27 56.614 3.277 -6.688
174 1HE LYS 27 HE2 LYS 27 57.812 4.594 -8.146
175 2HE LYS 27 HE1 LYS 27 56.303 5.498 -8.023
176 1HZ LYS 27 HZ1 LYS 27 57.285 7.052 -6.582
177 2HZ LYS 27 HZ2 LYS 27 58.416 6.822 -7.818
178 3HZ LYS 27 HZ3 LYS 27 58.648 6.085 -6.314
179 H CYS 28 HN CYS 28 56.527 4.143 -3.074
180 HA CYS 28 HA CYS 28 56.610 4.359 -0.196
181 1HB CYS 28 HB2 CYS 28 56.985 2.238 -1.703
182 2HB CYS 28 HB1 CYS 28 58.626 2.860 -1.828
183 H ARG 29 HN ARG 29 58.862 4.591 0.798
184 HA ARG 29 HA ARG 29 60.613 6.400 -0.667
185 1HB ARG 29 HB2 ARG 29 58.879 7.766 0.571
186 2HB ARG 29 HB1 ARG 29 59.539 7.120 2.059
187 1HG ARG 29 HG2 ARG 29 60.276 9.456 1.039
188 2HG ARG 29 HG1 ARG 29 61.340 8.448 2.015
189 1HD ARG 29 HD2 ARG 29 62.516 9.213 0.069
190 2HD ARG 29 HD1 ARG 29 62.265 7.477 -0.059
191 HE ARG 29 HE ARG 29 61.055 7.855 -1.952
192 1HH1 ARG 29 HH11 ARG 29 61.150 10.818 -0.109
193 2HH1 ARG 29 HH12 ARG 29 60.325 11.743 -1.319
194 1HH2 ARG 29 HH21 ARG 29 59.971 9.071 -3.542
195 2HH2 ARG 29 HH22 ARG 29 59.657 10.752 -3.268
196 H CYS 30 HN CYS 30 62.223 4.900 -0.613
197 HA CYS 30 HA CYS 30 62.967 3.612 1.863
198 1HB CYS 30 HB2 CYS 30 63.130 2.260 -0.109
199 2HB CYS 30 HB1 CYS 30 64.088 3.474 -0.942
200 H HIS 31 HN HIS 31 65.122 3.670 2.735
201 HA HIS 31 HA HIS 31 66.178 6.338 2.900
202 1HB HIS 31 HB2 HIS 31 67.353 3.822 4.090
203 2HB HIS 31 HB1 HIS 31 67.632 5.481 4.607
204 HD1 HIS 31 HD1 HIS 31 64.544 6.272 4.583
205 HD2 HIS 31 HD2 HIS 31 66.234 2.977 6.473
206 HE1 HIS 31 HE1 HIS 31 62.940 5.654 6.419
207 HE2 HIS 31 HE2 HIS 31 64.041 3.731 7.619
208 HA PRO 32 HA PRO 32 69.432 6.120 -0.066
209 1HB PRO 32 HB2 PRO 32 71.340 7.220 1.872
210 2HB PRO 32 HB1 PRO 32 70.736 7.927 0.373
211 1HG PRO 32 HG2 PRO 32 70.007 8.869 2.787
212 2HG PRO 32 HG1 PRO 32 68.904 8.874 1.399
213 1HD PRO 32 HD2 PRO 32 68.999 7.013 3.739
214 2HD PRO 32 HD1 PRO 32 67.594 7.698 2.896
215 H GLY 33 HN GLY 33 70.167 4.239 -0.596
216 1HA GLY 33 HA2 GLY 33 72.303 3.008 -0.466
217 2HA GLY 33 HA1 GLY 33 72.012 2.876 1.258
218 H PHE 34 HN PHE 34 69.081 2.467 0.655
219 HA PHE 34 HA PHE 34 69.237 -0.411 0.382
220 1HB PHE 34 HB2 PHE 34 67.141 1.554 1.199
221 2HB PHE 34 HB1 PHE 34 66.635 -0.058 0.720
222 HD1 PHE 34 HD1 PHE 34 67.722 1.986 3.379
223 HD2 PHE 34 HD2 PHE 34 67.878 -2.013 1.933
224 HE1 PHE 34 HE1 PHE 34 68.246 1.188 5.646
225 HE2 PHE 34 HE2 PHE 34 68.401 -2.817 4.197
226 HZ PHE 34 HZ PHE 34 68.586 -1.215 6.058
227 H GLU 35 HN GLU 35 67.605 -1.550 -1.004
228 HA GLU 35 HA GLU 35 66.656 -0.125 -3.327
229 1HB GLU 35 HB2 GLU 35 69.087 -1.815 -3.398
230 2HB GLU 35 HB1 GLU 35 67.935 -2.064 -4.702
231 1HG GLU 35 HG2 GLU 35 68.243 0.720 -4.406
232 2HG GLU 35 HG1 GLU 35 69.858 0.013 -4.366
233 H GLY 36 HN GLY 36 67.495 -3.550 -3.385
234 1HA GLY 36 HA2 GLY 36 66.139 -5.398 -3.638
235 2HA GLY 36 HA1 GLY 36 65.257 -4.711 -2.276
236 H SER 37 HN SER 37 63.294 -5.524 -3.124
237 HA SER 37 HA SER 37 62.360 -4.420 -5.654
238 1HB SER 37 HB2 SER 37 61.854 -6.818 -4.443
239 2HB SER 37 HB1 SER 37 60.451 -5.882 -3.929
240 HG SER 37 HG SER 37 60.974 -6.968 -6.331
241 H ALA 38 HN ALA 38 62.769 -3.389 -2.633
242 HA ALA 38 HA ALA 38 60.817 -1.273 -2.849
243 1HB ALA 38 HB1 ALA 38 60.518 -3.530 -1.039
244 2HB ALA 38 HB2 ALA 38 59.359 -2.277 -1.486
245 3HB ALA 38 HB3 ALA 38 60.534 -1.977 -0.205
246 H CYS 39 HN CYS 39 62.522 -2.592 -0.049
247 HA CYS 39 HA CYS 39 64.611 -0.672 -0.272
248 1HB CYS 39 HB2 CYS 39 62.729 0.626 0.735
249 2HB CYS 39 HB1 CYS 39 62.786 -0.465 2.113
250 H GLN 40 HN GLN 40 64.534 -3.536 -0.134
251 HA GLN 40 HA GLN 40 65.432 -4.180 2.560
252 1HB GLN 40 HB2 GLN 40 65.203 -6.436 2.006
253 2HB GLN 40 HB1 GLN 40 63.888 -5.646 1.151
254 1HG GLN 40 HG2 GLN 40 65.984 -5.640 -0.663
255 2HG GLN 40 HG1 GLN 40 66.085 -7.209 0.123
256 1HE2 GLN 40 HE21 GLN 40 63.313 -5.181 -0.661
257 2HE2 GLN 40 HE22 GLN 40 62.519 -6.350 -1.651
258 H ALA 41 HN ALA 41 66.818 -3.902 -0.677
259 HA ALA 41 HA ALA 41 69.387 -4.878 0.276
260 1HB ALA 41 HB1 ALA 41 69.222 -3.748 -2.434
261 2HB ALA 41 HB2 ALA 41 68.170 -5.126 -2.116
262 3HB ALA 41 HB3 ALA 41 69.910 -5.272 -1.874
Start of MODEL 15
1 1H GLU 1 HT1 GLU 1 43.376 10.670 -0.718
2 2H GLU 1 HT2 GLU 1 42.543 12.167 -0.599
3 3H GLU 1 HT3 GLU 1 44.258 12.128 -0.534
4 HA GLU 1 HA GLU 1 42.481 11.637 -2.813
5 1HB GLU 1 HB2 GLU 1 43.860 13.402 -3.813
6 2HB GLU 1 HB1 GLU 1 43.126 13.947 -2.311
7 1HG GLU 1 HG2 GLU 1 45.100 14.332 -1.367
8 2HG GLU 1 HG1 GLU 1 45.749 12.782 -1.895
9 H CYS 2 HN CYS 2 45.551 10.862 -1.350
10 HA CYS 2 HA CYS 2 46.352 9.423 -3.788
11 1HB CYS 2 HB2 CYS 2 47.800 11.106 -1.992
12 2HB CYS 2 HB1 CYS 2 48.472 9.483 -1.896
13 H ASP 3 HN ASP 3 47.174 8.990 -0.350
14 HA ASP 3 HA ASP 3 46.926 7.209 1.064
15 1HB ASP 3 HB2 ASP 3 44.721 6.986 -0.689
16 2HB ASP 3 HB1 ASP 3 45.413 5.374 -0.555
17 H THR 4 HN THR 4 46.927 4.539 0.745
18 HA THR 4 HA THR 4 49.526 4.045 -0.450
19 HB THR 4 HB THR 4 49.128 1.711 0.493
20 HG1 THR 4 HG1 THR 4 46.805 1.979 0.576
21 1HG2 THR 4 HG21 THR 4 50.069 3.906 1.761
22 2HG2 THR 4 HG22 THR 4 50.032 2.284 2.453
23 3HG2 THR 4 HG23 THR 4 48.748 3.431 2.828
24 H ILE 5 HN ILE 5 48.738 4.497 -2.596
25 HA ILE 5 HA ILE 5 46.999 2.554 -3.791
26 HB ILE 5 HB ILE 5 46.361 4.709 -4.336
27 1HG1 ILE 5 HG12 ILE 5 48.051 4.498 -6.705
28 2HG1 ILE 5 HG11 ILE 5 47.135 3.055 -6.307
29 1HG2 ILE 5 HG21 ILE 5 47.733 6.315 -3.830
30 2HG2 ILE 5 HG22 ILE 5 48.406 6.106 -5.448
31 3HG2 ILE 5 HG23 ILE 5 49.133 5.278 -4.074
32 1HD1 ILE 5 HD11 ILE 5 45.066 4.255 -6.437
33 2HD1 ILE 5 HD12 ILE 5 45.989 4.554 -7.910
34 3HD1 ILE 5 HD13 ILE 5 45.924 5.781 -6.646
35 H ASN 6 HN ASN 6 50.218 3.381 -3.526
36 HA ASN 6 HA ASN 6 50.981 1.280 -5.409
37 1HB ASN 6 HB2 ASN 6 51.141 3.896 -6.154
38 2HB ASN 6 HB1 ASN 6 52.743 3.633 -5.471
39 1HD2 ASN 6 HD21 ASN 6 50.888 3.401 -8.206
40 2HD2 ASN 6 HD22 ASN 6 51.885 2.331 -9.125
41 H CYS 7 HN CYS 7 51.651 -0.063 -3.759
42 HA CYS 7 HA CYS 7 54.087 0.813 -2.377
43 1HB CYS 7 HB2 CYS 7 52.078 -0.943 -0.993
44 2HB CYS 7 HB1 CYS 7 53.434 -0.067 -0.301
45 H GLU 8 HN GLU 8 55.688 -0.608 -2.355
46 HA GLU 8 HA GLU 8 55.257 -3.168 -3.709
47 1HB GLU 8 HB2 GLU 8 57.925 -2.028 -2.879
48 2HB GLU 8 HB1 GLU 8 57.591 -3.221 -4.125
49 1HG GLU 8 HG2 GLU 8 56.413 -0.517 -4.443
50 2HG GLU 8 HG1 GLU 8 58.146 -0.707 -4.701
51 H ARG 9 HN ARG 9 56.141 -5.136 -2.778
52 HA ARG 9 HA ARG 9 56.598 -4.944 0.112
53 1HB ARG 9 HB2 ARG 9 54.900 -7.037 -1.210
54 2HB ARG 9 HB1 ARG 9 55.313 -6.969 0.493
55 1HG ARG 9 HG2 ARG 9 54.036 -4.997 0.809
56 2HG ARG 9 HG1 ARG 9 53.812 -4.789 -0.929
57 1HD ARG 9 HD2 ARG 9 52.800 -7.282 -0.559
58 2HD ARG 9 HD1 ARG 9 52.385 -6.517 0.974
59 HE ARG 9 HE ARG 9 51.647 -4.747 -1.022
60 1HH1 ARG 9 HH11 ARG 9 50.800 -7.980 -0.016
61 2HH1 ARG 9 HH12 ARG 9 49.174 -7.870 -0.601
62 1HH2 ARG 9 HH21 ARG 9 49.509 -4.601 -1.793
63 2HH2 ARG 9 HH22 ARG 9 48.440 -5.951 -1.610
64 H TYR 10 HN TYR 10 58.236 -5.953 0.840
65 HA TYR 10 HA TYR 10 59.840 -7.560 -0.956
66 1HB TYR 10 HB2 TYR 10 61.708 -6.986 0.371
67 2HB TYR 10 HB1 TYR 10 60.718 -5.544 0.302
68 HD1 TYR 10 HD1 TYR 10 58.793 -5.676 2.290
69 HD2 TYR 10 HD2 TYR 10 62.714 -7.309 2.369
70 HE1 TYR 10 HE1 TYR 10 58.816 -5.474 4.719
71 HE2 TYR 10 HE2 TYR 10 62.739 -7.120 4.814
72 HH TYR 10 HH TYR 10 60.427 -6.996 6.684
73 H ASN 11 HN ASN 11 58.222 -7.821 2.058
74 HA ASN 11 HA ASN 11 58.389 -10.704 1.937
75 1HB ASN 11 HB2 ASN 11 60.491 -9.919 3.110
76 2HB ASN 11 HB1 ASN 11 59.452 -9.350 4.413
77 1HD2 ASN 11 HD21 ASN 11 60.705 -10.845 5.709
78 2HD2 ASN 11 HD22 ASN 11 60.251 -12.512 5.749
79 H GLY 12 HN GLY 12 56.134 -9.122 1.729
80 1HA GLY 12 HA2 GLY 12 53.958 -9.407 2.526
81 2HA GLY 12 HA1 GLY 12 54.613 -10.134 3.983
82 H GLN 13 HN GLN 13 56.420 -7.539 3.964
83 HA GLN 13 HA GLN 13 54.644 -6.078 5.729
84 1HB GLN 13 HB2 GLN 13 57.425 -5.234 4.925
85 2HB GLN 13 HB1 GLN 13 56.558 -4.838 6.402
86 1HG GLN 13 HG2 GLN 13 57.272 -7.673 5.779
87 2HG GLN 13 HG1 GLN 13 58.460 -6.576 6.480
88 1HE2 GLN 13 HE21 GLN 13 56.591 -8.969 7.327
89 2HE2 GLN 13 HE22 GLN 13 56.087 -8.486 8.907
90 H VAL 14 HN VAL 14 56.916 -4.796 3.353
91 HA VAL 14 HA VAL 14 55.702 -3.863 1.285
92 HB VAL 14 HB VAL 14 53.717 -3.067 2.403
93 1HG1 VAL 14 HG11 VAL 14 55.580 -2.176 4.391
94 2HG1 VAL 14 HG12 VAL 14 53.825 -2.314 4.492
95 3HG1 VAL 14 HG13 VAL 14 54.559 -0.830 3.885
96 1HG2 VAL 14 HG21 VAL 14 55.403 -0.708 1.582
97 2HG2 VAL 14 HG22 VAL 14 53.642 -0.759 1.651
98 3HG2 VAL 14 HG23 VAL 14 54.509 -1.762 0.486
99 H CYS 15 HN CYS 15 57.512 -3.293 0.387
100 HA CYS 15 HA CYS 15 59.306 -2.069 -0.199
101 1HB CYS 15 HB2 CYS 15 57.611 -0.274 1.156
102 2HB CYS 15 HB1 CYS 15 59.251 0.066 1.686
103 H GLY 16 HN GLY 16 59.813 -4.121 1.652
104 1HA GLY 16 HA2 GLY 16 61.535 -4.804 3.036
105 2HA GLY 16 HA1 GLY 16 62.374 -3.364 2.556
106 H GLY 17 HN GLY 17 59.250 -3.436 4.130
107 1HA GLY 17 HA2 GLY 17 58.559 -2.863 6.245
108 2HA GLY 17 HA1 GLY 17 60.216 -3.044 6.788
109 HA PRO 18 HA PRO 18 58.847 1.519 6.411
110 1HB PRO 18 HB2 PRO 18 58.428 2.088 9.027
111 2HB PRO 18 HB1 PRO 18 57.150 1.487 7.962
112 1HG PRO 18 HG2 PRO 18 58.828 -0.013 9.937
113 2HG PRO 18 HG1 PRO 18 57.083 -0.123 9.641
114 1HD PRO 18 HD2 PRO 18 58.841 -1.920 8.642
115 2HD PRO 18 HD1 PRO 18 57.354 -1.465 7.787
116 H GLY 19 HN GLY 19 60.698 -0.017 9.040
117 1HA GLY 19 HA2 GLY 19 62.334 2.038 9.813
118 2HA GLY 19 HA1 GLY 19 62.853 0.362 9.758
119 H ARG 20 HN ARG 20 62.463 0.279 6.810
120 HA ARG 20 HA ARG 20 64.957 1.667 6.087
121 1HB ARG 20 HB2 ARG 20 63.813 -0.439 4.330
122 2HB ARG 20 HB1 ARG 20 65.490 -0.056 4.681
123 1HG ARG 20 HG2 ARG 20 63.574 -1.716 6.268
124 2HG ARG 20 HG1 ARG 20 65.156 -2.152 5.632
125 1HD ARG 20 HD2 ARG 20 64.423 -0.724 8.117
126 2HD ARG 20 HD1 ARG 20 65.725 -1.868 7.809
127 HE ARG 20 HE ARG 20 66.399 0.423 6.441
128 1HH1 ARG 20 HH11 ARG 20 65.757 -0.444 9.756
129 2HH1 ARG 20 HH12 ARG 20 66.809 0.768 10.408
130 1HH2 ARG 20 HH21 ARG 20 67.783 2.018 7.293
131 2HH2 ARG 20 HH22 ARG 20 67.959 2.166 9.008
132 H GLY 21 HN GLY 21 61.745 0.838 4.758
133 1HA GLY 21 HA2 GLY 21 61.637 3.449 3.498
134 2HA GLY 21 HA1 GLY 21 61.707 2.101 2.381
135 H LEU 22 HN LEU 22 59.654 4.197 3.379
136 HA LEU 22 HA LEU 22 57.442 2.460 4.115
137 1HB LEU 22 HB2 LEU 22 58.029 5.332 4.207
138 2HB LEU 22 HB1 LEU 22 56.348 4.856 4.033
139 HG LEU 22 HG LEU 22 56.733 5.103 6.292
140 1HD1 LEU 22 HD11 LEU 22 57.040 2.160 6.016
141 2HD1 LEU 22 HD12 LEU 22 55.566 2.991 5.521
142 3HD1 LEU 22 HD13 LEU 22 56.097 3.061 7.200
143 1HD2 LEU 22 HD21 LEU 22 59.200 3.446 5.963
144 2HD2 LEU 22 HD22 LEU 22 58.541 3.937 7.523
145 3HD2 LEU 22 HD23 LEU 22 59.117 5.156 6.387
146 H CYS 23 HN CYS 23 55.308 3.049 3.104
147 HA CYS 23 HA CYS 23 55.603 3.427 0.200
148 1HB CYS 23 HB2 CYS 23 54.284 1.645 -0.180
149 2HB CYS 23 HB1 CYS 23 54.507 1.235 1.514
150 H PHE 24 HN PHE 24 54.498 5.185 -0.682
151 HA PHE 24 HA PHE 24 52.544 6.449 1.135
152 1HB PHE 24 HB2 PHE 24 55.093 7.528 0.142
153 2HB PHE 24 HB1 PHE 24 53.727 8.625 -0.004
154 HD1 PHE 24 HD1 PHE 24 56.356 8.394 1.845
155 HD2 PHE 24 HD2 PHE 24 52.163 7.942 2.381
156 HE1 PHE 24 HE1 PHE 24 56.614 8.936 4.238
157 HE2 PHE 24 HE2 PHE 24 52.407 8.486 4.776
158 HZ PHE 24 HZ PHE 24 54.633 8.989 5.702
159 H CYS 25 HN CYS 25 51.852 8.585 -0.091
160 HA CYS 25 HA CYS 25 49.835 8.179 -1.728
161 1HB CYS 25 HB2 CYS 25 50.045 10.375 -1.173
162 2HB CYS 25 HB1 CYS 25 51.798 10.356 -1.355
163 H GLY 26 HN GLY 26 49.987 6.518 -3.199
164 1HA GLY 26 HA2 GLY 26 50.424 5.490 -5.201
165 2HA GLY 26 HA1 GLY 26 50.726 7.107 -5.815
166 H LYS 27 HN LYS 27 52.923 6.519 -3.319
167 HA LYS 27 HA LYS 27 54.830 5.058 -4.910
168 1HB LYS 27 HB2 LYS 27 55.041 8.000 -4.475
169 2HB LYS 27 HB1 LYS 27 56.499 7.025 -4.597
170 1HG LYS 27 HG2 LYS 27 55.016 6.203 -6.767
171 2HG LYS 27 HG1 LYS 27 54.679 7.932 -6.676
172 1HD LYS 27 HD2 LYS 27 56.913 8.508 -6.970
173 2HD LYS 27 HD1 LYS 27 57.489 6.916 -6.474
174 1HE LYS 27 HE2 LYS 27 56.826 5.933 -8.518
175 2HE LYS 27 HE1 LYS 27 55.867 7.342 -8.969
176 1HZ LYS 27 HZ1 LYS 27 58.231 8.479 -8.756
177 2HZ LYS 27 HZ2 LYS 27 57.709 7.754 -10.191
178 3HZ LYS 27 HZ3 LYS 27 58.747 6.917 -9.151
179 H CYS 28 HN CYS 28 56.732 4.458 -3.852
180 HA CYS 28 HA CYS 28 56.442 4.302 -0.976
181 1HB CYS 28 HB2 CYS 28 57.676 2.714 -3.005
182 2HB CYS 28 HB1 CYS 28 58.918 3.179 -1.848
183 H ARG 29 HN ARG 29 58.679 4.503 0.249
184 HA ARG 29 HA ARG 29 60.251 6.747 -0.725
185 1HB ARG 29 HB2 ARG 29 59.898 8.044 1.341
186 2HB ARG 29 HB1 ARG 29 58.412 7.840 0.424
187 1HG ARG 29 HG2 ARG 29 57.402 6.776 2.093
188 2HG ARG 29 HG1 ARG 29 58.799 5.746 2.401
189 1HD ARG 29 HD2 ARG 29 58.091 7.318 4.271
190 2HD ARG 29 HD1 ARG 29 59.794 7.335 3.818
191 HE ARG 29 HE ARG 29 58.469 9.306 2.340
192 1HH1 ARG 29 HH11 ARG 29 59.350 8.621 5.647
193 2HH1 ARG 29 HH12 ARG 29 59.441 10.290 6.099
194 1HH2 ARG 29 HH21 ARG 29 58.587 11.500 2.934
195 2HH2 ARG 29 HH22 ARG 29 59.006 11.925 4.559
196 H CYS 30 HN CYS 30 61.954 5.206 -0.769
197 HA CYS 30 HA CYS 30 62.755 3.935 1.710
198 1HB CYS 30 HB2 CYS 30 63.147 2.614 -0.259
199 2HB CYS 30 HB1 CYS 30 63.973 3.938 -1.064
200 H HIS 31 HN HIS 31 64.834 4.239 2.692
201 HA HIS 31 HA HIS 31 65.625 7.008 2.792
202 1HB HIS 31 HB2 HIS 31 67.110 4.759 4.130
203 2HB HIS 31 HB1 HIS 31 66.942 6.429 4.655
204 HD1 HIS 31 HD1 HIS 31 63.733 6.373 4.287
205 HD2 HIS 31 HD2 HIS 31 66.062 3.735 6.495
206 HE1 HIS 31 HE1 HIS 31 62.186 5.394 6.012
207 HE2 HIS 31 HE2 HIS 31 63.653 3.904 7.419
208 HA PRO 32 HA PRO 32 68.919 6.916 -0.131
209 1HB PRO 32 HB2 PRO 32 70.639 8.385 1.744
210 2HB PRO 32 HB1 PRO 32 70.029 8.877 0.164
211 1HG PRO 32 HG2 PRO 32 69.097 9.968 2.437
212 2HG PRO 32 HG1 PRO 32 68.052 9.695 1.030
213 1HD PRO 32 HD2 PRO 32 68.280 8.113 3.558
214 2HD PRO 32 HD1 PRO 32 66.834 8.534 2.614
215 H GLY 33 HN GLY 33 69.816 5.063 -0.460
216 1HA GLY 33 HA2 GLY 33 71.966 3.973 -0.338
217 2HA GLY 33 HA1 GLY 33 71.926 4.192 1.400
218 H PHE 34 HN PHE 34 69.164 3.117 -0.504
219 HA PHE 34 HA PHE 34 69.526 0.406 0.575
220 1HB PHE 34 HB2 PHE 34 67.271 2.282 0.950
221 2HB PHE 34 HB1 PHE 34 66.824 0.615 0.614
222 HD1 PHE 34 HD1 PHE 34 67.833 -1.192 2.108
223 HD2 PHE 34 HD2 PHE 34 67.928 2.950 3.085
224 HE1 PHE 34 HE1 PHE 34 68.266 -1.762 4.460
225 HE2 PHE 34 HE2 PHE 34 68.360 2.385 5.438
226 HZ PHE 34 HZ PHE 34 68.530 0.027 6.129
227 H GLU 35 HN GLU 35 68.335 -1.261 -0.574
228 HA GLU 35 HA GLU 35 67.328 -0.565 -3.209
229 1HB GLU 35 HB2 GLU 35 69.909 -1.945 -2.722
230 2HB GLU 35 HB1 GLU 35 68.890 -2.613 -3.990
231 1HG GLU 35 HG2 GLU 35 68.802 0.017 -4.605
232 2HG GLU 35 HG1 GLU 35 70.416 -0.111 -3.907
233 H GLY 36 HN GLY 36 68.520 -3.754 -2.244
234 1HA GLY 36 HA2 GLY 36 67.388 -5.762 -2.084
235 2HA GLY 36 HA1 GLY 36 66.311 -4.850 -1.027
236 H SER 37 HN SER 37 64.545 -6.139 -1.767
237 HA SER 37 HA SER 37 63.776 -5.987 -4.549
238 1HB SER 37 HB2 SER 37 62.703 -7.285 -2.086
239 2HB SER 37 HB1 SER 37 61.547 -6.905 -3.362
240 HG SER 37 HG SER 37 62.607 -8.239 -4.734
241 H ALA 38 HN ALA 38 63.746 -4.009 -1.912
242 HA ALA 38 HA ALA 38 61.956 -2.101 -3.138
243 1HB ALA 38 HB1 ALA 38 60.227 -2.626 -1.839
244 2HB ALA 38 HB2 ALA 38 61.178 -2.009 -0.487
245 3HB ALA 38 HB3 ALA 38 61.204 -3.730 -0.872
246 H CYS 39 HN CYS 39 63.110 -2.563 0.166
247 HA CYS 39 HA CYS 39 65.195 -0.648 -0.160
248 1HB CYS 39 HB2 CYS 39 63.254 0.815 0.151
249 2HB CYS 39 HB1 CYS 39 62.873 -0.010 1.656
250 H GLN 40 HN GLN 40 65.035 -3.412 0.638
251 HA GLN 40 HA GLN 40 65.602 -3.324 3.507
252 1HB GLN 40 HB2 GLN 40 65.403 -5.709 3.509
253 2HB GLN 40 HB1 GLN 40 64.048 -5.053 2.603
254 1HG GLN 40 HG2 GLN 40 66.169 -5.558 0.785
255 2HG GLN 40 HG1 GLN 40 65.948 -6.983 1.793
256 1HE2 GLN 40 HE21 GLN 40 63.790 -4.575 0.340
257 2HE2 GLN 40 HE22 GLN 40 62.758 -5.718 -0.424
258 H ALA 41 HN ALA 41 67.189 -3.839 0.442
259 HA ALA 41 HA ALA 41 69.681 -4.524 1.835
260 1HB ALA 41 HB1 ALA 41 68.523 -5.594 -0.439
261 2HB ALA 41 HB2 ALA 41 70.175 -5.853 0.119
262 3HB ALA 41 HB3 ALA 41 69.830 -4.587 -1.059