Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
560599 | 2m2f RC | 18912 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PHE 1 1HT PHE 1 6.504 5.695 4.613
2 HA PHE 1 HA PHE 1 6.293 4.498 2.770
3 HB2 PHE 1 2HB PHE 1 4.508 2.625 2.717
4 HB3 PHE 1 1HB PHE 1 6.127 2.231 3.283
5 HD1 PHE 1 2HD PHE 1 6.462 2.006 5.781
6 HD2 PHE 1 1HD PHE 1 2.620 2.242 3.975
7 HE1 PHE 1 2HE PHE 1 5.470 1.002 7.790
8 HE2 PHE 1 1HE PHE 1 1.626 1.226 5.987
9 HZ PHE 1 HZ PHE 1 3.044 0.609 7.890
10 H CYS 2 H CYS 2 3.644 5.106 5.032
11 HA CYS 2 HA CYS 2 2.655 6.874 2.962
12 HB2 CYS 2 2HB CYS 2 1.255 5.581 5.286
13 HB3 CYS 2 1HB CYS 2 0.545 6.916 4.388
14 H GLU 3 H GLU 3 3.756 6.557 6.196
15 HA GLU 3 HA GLU 3 2.919 8.906 7.434
16 HB2 GLU 3 2HB GLU 3 5.624 7.880 8.159
17 HB3 GLU 3 1HB GLU 3 4.294 8.336 9.194
18 HG2 GLU 3 2HG GLU 3 4.660 6.017 9.521
19 HG3 GLU 3 1HG GLU 3 3.198 6.144 8.541
20 H ARG 4 H ARG 4 6.228 8.267 6.417
21 HA ARG 4 HA ARG 4 7.110 10.868 6.670
22 HB2 ARG 4 2HB ARG 4 8.581 8.997 6.808
23 HB3 ARG 4 1HB ARG 4 8.169 8.490 5.182
24 HG2 ARG 4 2HG ARG 4 9.208 10.661 4.390
25 HG3 ARG 4 1HG ARG 4 9.845 10.830 6.032
26 HD2 ARG 4 2HD ARG 4 10.310 8.489 4.186
27 HD3 ARG 4 1HD ARG 4 11.473 9.759 4.547
28 HE ARG 4 HE ARG 4 11.514 8.983 6.813
29 HH11 ARG 4 1HH1 ARG 4 9.914 6.709 4.538
30 HH12 ARG 4 2HH1 ARG 4 10.401 5.327 5.353
31 HH21 ARG 4 1HH2 ARG 4 12.150 6.993 7.985
32 HH22 ARG 4 2HH2 ARG 4 11.681 5.477 7.377
33 H GLU 5 H GLU 5 6.551 8.859 3.811
34 HA GLU 5 HA GLU 5 7.250 10.471 1.849
35 HB2 GLU 5 2HB GLU 5 5.253 8.237 1.939
36 HB3 GLU 5 1HB GLU 5 5.975 8.887 0.475
37 HG2 GLU 5 2HG GLU 5 7.294 6.933 0.991
38 HG3 GLU 5 1HG GLU 5 8.177 8.388 1.489
39 H GLN 6 H GLN 6 3.815 10.279 3.171
40 HA GLN 6 HA GLN 6 3.416 12.751 1.812
41 HB2 GLN 6 2HB GLN 6 1.148 11.645 0.944
42 HB3 GLN 6 1HB GLN 6 2.602 11.767 -0.053
43 HG2 GLN 6 2HG GLN 6 3.112 9.459 0.451
44 HG3 GLN 6 1HG GLN 6 1.719 9.361 1.545
45 HE21 GLN 6 1HE2 GLN 6 0.692 7.755 0.301
46 HE22 GLN 6 2HE2 GLN 6 0.038 8.118 -1.262
47 H GLN 7 H GLN 7 3.387 11.456 4.464
48 HA GLN 7 HA GLN 7 2.600 11.796 6.324
49 HB2 GLN 7 2HB GLN 7 1.275 14.168 5.036
50 HB3 GLN 7 1HB GLN 7 1.267 13.928 6.777
51 HG2 GLN 7 2HG GLN 7 3.805 13.897 5.235
52 HG3 GLN 7 1HG GLN 7 3.085 15.439 5.723
53 HE21 GLN 7 1HE2 GLN 7 4.662 12.520 6.799
54 HE22 GLN 7 2HE2 GLN 7 4.978 13.088 8.404
55 H LEU 8 H LEU 8 1.033 9.992 4.774
56 HA LEU 8 HA LEU 8 -1.633 10.350 5.917
57 HB2 LEU 8 2HB LEU 8 -0.663 8.461 3.815
58 HB3 LEU 8 1HB LEU 8 -2.208 8.274 4.600
59 HG LEU 8 HG LEU 8 -2.818 9.186 2.713
60 HD11 LEU 8 1HD1 LEU 8 -2.331 11.638 4.293
61 HD12 LEU 8 2HD1 LEU 8 -3.693 10.506 4.307
62 HD13 LEU 8 3HD1 LEU 8 -3.394 11.494 2.871
63 HD21 LEU 8 3HD2 LEU 8 -0.234 10.712 2.527
64 HD22 LEU 8 1HD2 LEU 8 -1.583 10.825 1.364
65 HD23 LEU 8 2HD2 LEU 8 -0.819 9.268 1.690
66 H GLU 9 H GLU 9 -2.595 8.448 6.566
67 HA GLU 9 HA GLU 9 -1.045 6.737 8.336
68 HB2 GLU 9 2HB GLU 9 -3.386 7.765 8.771
69 HB3 GLU 9 1HB GLU 9 -3.884 6.641 7.505
70 HG2 GLU 9 2HG GLU 9 -3.269 4.760 8.887
71 HG3 GLU 9 1HG GLU 9 -2.797 5.870 10.185
72 H SER 10 H SER 10 -1.153 4.381 7.849
73 HA SER 10 HA SER 10 -1.152 3.809 5.078
74 HB2 SER 10 2HB SER 10 -0.253 1.781 5.905
75 HB3 SER 10 1HB SER 10 0.442 3.289 6.655
76 HG SER 10 HG SER 10 -1.666 2.193 8.025
77 H CYS 11 H CYS 11 -2.430 2.043 4.235
78 HA CYS 11 HA CYS 11 -4.527 0.931 5.875
79 HB2 CYS 11 2HB CYS 11 -6.417 1.935 4.805
80 HB3 CYS 11 1HB CYS 11 -5.263 3.250 4.781
81 H ALA 12 H ALA 12 -6.038 -0.371 3.948
82 HA ALA 12 HA ALA 12 -4.094 -1.659 2.204
83 HB1 ALA 12 1HB ALA 12 -6.118 -3.017 3.970
84 HB2 ALA 12 2HB ALA 12 -4.367 -3.067 4.180
85 HB3 ALA 12 3HB ALA 12 -5.112 -3.834 2.772
86 H CYS 13 H CYS 13 -4.831 -1.579 0.154
87 HA CYS 13 HA CYS 13 -7.472 -0.752 -0.450
88 HB2 CYS 13 2HB CYS 13 -5.271 -1.870 -2.204
89 HB3 CYS 13 1HB CYS 13 -6.744 -1.130 -2.783
90 H ASN 14 H ASN 14 -9.200 -1.884 -0.652
91 HA ASN 14 HA ASN 14 -9.518 -4.566 0.015
92 HB2 ASN 14 2HB ASN 14 -11.297 -2.818 0.053
93 HB3 ASN 14 1HB ASN 14 -11.323 -2.884 -1.706
94 HD21 ASN 14 1HD2 ASN 14 -12.402 -4.613 -2.726
95 HD22 ASN 14 2HD2 ASN 14 -13.353 -5.739 -1.823
96 H GLU 15 H GLU 15 -8.708 -3.178 -3.045
97 HA GLU 15 HA GLU 15 -9.552 -5.235 -4.618
98 HB2 GLU 15 2HB GLU 15 -9.062 -2.882 -5.363
99 HB3 GLU 15 1HB GLU 15 -7.357 -3.231 -5.142
100 HG2 GLU 15 2HG GLU 15 -9.075 -4.717 -7.111
101 HG3 GLU 15 1HG GLU 15 -8.192 -3.245 -7.510
102 H THR 16 H THR 16 -8.287 -7.067 -5.386
103 HA THR 16 HA THR 16 -6.730 -8.414 -3.581
104 HB THR 16 HB THR 16 -7.001 -8.764 -6.554
105 HG1 THR 16 1HG THR 16 -8.295 -9.798 -4.270
106 HG21 THR 16 3HG2 THR 16 -6.132 -11.027 -6.256
107 HG22 THR 16 1HG2 THR 16 -5.953 -10.773 -4.509
108 HG23 THR 16 2HG2 THR 16 -4.962 -9.851 -5.639
109 H ASP 17 H ASP 17 -5.573 -6.725 -6.474
110 HA ASP 17 HA ASP 17 -2.960 -7.643 -5.964
111 HB2 ASP 17 2HB ASP 17 -3.671 -7.240 -8.229
112 HB3 ASP 17 1HB ASP 17 -4.019 -5.558 -7.779
113 H ASN 18 H ASN 18 -4.777 -4.662 -5.491
114 HA ASN 18 HA ASN 18 -2.484 -3.204 -4.726
115 HB2 ASN 18 2HB ASN 18 -5.383 -2.506 -4.888
116 HB3 ASN 18 1HB ASN 18 -4.252 -1.428 -4.076
117 HD21 ASN 18 1HD2 ASN 18 -5.005 -2.991 -7.136
118 HD22 ASN 18 2HD2 ASN 18 -4.125 -1.880 -8.117
119 H SER 19 H SER 19 -4.215 -5.424 -3.171
120 HA SER 19 HA SER 19 -4.042 -4.375 -0.534
121 HB2 SER 19 2HB SER 19 -4.161 -7.248 -1.545
122 HB3 SER 19 1HB SER 19 -4.076 -6.873 0.169
123 HG SER 19 HG SER 19 -5.991 -5.517 -1.292
124 H CYS 20 H CYS 20 -1.725 -5.540 -2.753
125 HA CYS 20 HA CYS 20 0.277 -6.169 -0.767
126 HB2 CYS 20 2HB CYS 20 0.387 -6.121 -3.757
127 HB3 CYS 20 1HB CYS 20 1.595 -6.908 -2.769
128 H LYS 21 H LYS 21 -0.760 -3.409 -2.238
129 HA LYS 21 HA LYS 21 1.886 -2.053 -2.054
130 HB2 LYS 21 2HB LYS 21 -0.639 -1.418 -3.556
131 HB3 LYS 21 1HB LYS 21 0.665 -0.270 -3.310
132 HG2 LYS 21 2HG LYS 21 0.940 -1.057 -5.506
133 HG3 LYS 21 1HG LYS 21 2.130 -1.934 -4.549
134 HD2 LYS 21 2HD LYS 21 0.677 -3.903 -4.533
135 HD3 LYS 21 1HD LYS 21 -0.545 -3.013 -5.450
136 HE2 LYS 21 2HE LYS 21 1.080 -2.710 -7.284
137 HE3 LYS 21 1HE LYS 21 2.254 -3.660 -6.380
138 HZ1 LYS 21 3HZ LYS 21 1.112 -5.023 -8.060
139 HZ2 LYS 21 1HZ LYS 21 -0.362 -4.640 -7.428
140 HZ3 LYS 21 2HZ LYS 21 0.674 -5.589 -6.561
141 H VAL 22 H VAL 22 1.842 -0.073 -1.701
142 HA VAL 22 HA VAL 22 0.992 0.162 0.991
143 HB VAL 22 HB VAL 22 2.701 1.948 -0.747
144 HG11 VAL 22 1HG1 VAL 22 1.494 3.136 0.900
145 HG12 VAL 22 2HG1 VAL 22 3.224 3.108 1.288
146 HG13 VAL 22 3HG1 VAL 22 2.070 2.071 2.185
147 HG21 VAL 22 3HG2 VAL 22 3.333 -0.072 1.406
148 HG22 VAL 22 1HG2 VAL 22 4.499 1.009 0.628
149 HG23 VAL 22 2HG2 VAL 22 3.605 -0.255 -0.302
150 H CYS 23 H CYS 23 -0.883 0.587 1.056
151 HA CYS 23 HA CYS 23 -1.950 2.871 -0.451
152 HB2 CYS 23 2HB CYS 23 -3.614 1.027 1.256
153 HB3 CYS 23 1HB CYS 23 -4.123 2.246 0.076
154 H CYS 24 H CYS 24 -3.003 4.559 0.600
155 HA CYS 24 HA CYS 24 -2.080 4.965 3.307
156 HB2 CYS 24 2HB CYS 24 -2.121 6.809 0.905
157 HB3 CYS 24 1HB CYS 24 -1.729 7.389 2.499
158 H ARG 25 H ARG 25 -3.510 6.717 4.299
159 HA ARG 25 HA ARG 25 -6.224 6.152 3.398
160 HB2 ARG 25 2HB ARG 25 -5.206 5.007 5.529
161 HB3 ARG 25 1HB ARG 25 -5.379 6.604 6.210
162 HG2 ARG 25 2HG ARG 25 -7.724 5.520 4.883
163 HG3 ARG 25 1HG ARG 25 -7.270 4.742 6.410
164 HD2 ARG 25 2HD ARG 25 -7.792 7.701 5.933
165 HD3 ARG 25 1HD ARG 25 -8.903 6.580 6.725
166 HE ARG 25 HE ARG 25 -6.727 6.335 8.255
167 HH11 ARG 25 1HH1 ARG 25 -8.242 9.288 7.035
168 HH12 ARG 25 2HH1 ARG 25 -7.989 10.192 8.460
169 HH21 ARG 25 1HH2 ARG 25 -6.297 7.527 10.157
170 HH22 ARG 25 2HH2 ARG 25 -6.798 9.133 10.344
171 H ASP 26 H ASP 26 -7.371 7.962 3.038
172 HA ASP 26 HA ASP 26 -5.884 10.383 3.371
173 HB2 ASP 26 2HB ASP 26 -7.040 11.221 1.549
174 HB3 ASP 26 1HB ASP 26 -7.011 9.501 1.173
175 H LEU 27 H LEU 27 -7.587 12.119 3.422
176 HA LEU 27 HA LEU 27 -8.140 12.447 6.077
177 HB2 LEU 27 2HB LEU 27 -9.320 14.166 3.932
178 HB3 LEU 27 1HB LEU 27 -8.967 14.634 5.585
179 HG LEU 27 HG LEU 27 -6.501 13.971 4.737
180 HD11 LEU 27 1HD1 LEU 27 -7.851 15.039 2.276
181 HD12 LEU 27 2HD1 LEU 27 -7.219 13.417 2.478
182 HD13 LEU 27 3HD1 LEU 27 -6.118 14.797 2.482
183 HD21 LEU 27 3HD2 LEU 27 -7.851 16.640 4.321
184 HD22 LEU 27 1HD2 LEU 27 -6.109 16.376 4.400
185 HD23 LEU 27 2HD2 LEU 27 -7.111 16.070 5.819
186 H SER 28 H SER 28 -10.266 11.631 3.398
187 HA SER 28 HA SER 28 -12.518 11.929 5.100
188 HB2 SER 28 2HB SER 28 -12.714 12.867 2.874
189 HB3 SER 28 1HB SER 28 -12.305 11.317 2.151
190 HG SER 28 HG SER 28 -14.310 10.748 3.605
191 H GLY 29 H GLY 29 -10.264 9.775 4.772
192 HA2 GLY 29 2HA GLY 29 -10.034 7.864 5.602
193 HA3 GLY 29 1HA GLY 29 -11.746 7.762 6.035
194 H ARG 30 H ARG 30 -10.164 7.950 2.800
195 HA ARG 30 HA ARG 30 -11.258 5.282 2.276
196 HB2 ARG 30 2HB ARG 30 -10.559 7.482 0.305
197 HB3 ARG 30 1HB ARG 30 -10.970 5.848 -0.159
198 HG2 ARG 30 2HG ARG 30 -12.883 7.162 -0.553
199 HG3 ARG 30 1HG ARG 30 -13.226 6.252 0.913
200 HD2 ARG 30 2HD ARG 30 -13.930 8.631 1.020
201 HD3 ARG 30 1HD ARG 30 -12.776 8.179 2.273
202 HE ARG 30 HE ARG 30 -11.094 9.360 1.179
203 HH11 ARG 30 1HH1 ARG 30 -14.187 9.768 -0.487
204 HH12 ARG 30 2HH1 ARG 30 -13.794 11.269 -1.196
205 HH21 ARG 30 1HH2 ARG 30 -10.570 11.394 0.331
206 HH22 ARG 30 2HH2 ARG 30 -11.597 12.251 -0.736
207 H CYS 31 H CYS 31 -9.897 4.131 0.610
208 HA CYS 31 HA CYS 31 -7.132 4.341 1.409
209 HB2 CYS 31 2HB CYS 31 -8.780 2.132 0.302
210 HB3 CYS 31 1HB CYS 31 -7.046 2.133 -0.016
211 H VAL 32 H VAL 32 -5.694 5.162 0.219
212 HA VAL 32 HA VAL 32 -6.192 5.289 -2.529
213 HB VAL 32 HB VAL 32 -6.595 7.542 -1.863
214 HG11 VAL 32 1HG1 VAL 32 -4.208 7.249 -0.076
215 HG12 VAL 32 2HG1 VAL 32 -5.853 7.827 0.335
216 HG13 VAL 32 3HG1 VAL 32 -4.765 8.836 -0.585
217 HG21 VAL 32 3HG2 VAL 32 -5.173 7.396 -3.838
218 HG22 VAL 32 1HG2 VAL 32 -3.735 7.433 -2.819
219 HG23 VAL 32 2HG2 VAL 32 -4.788 8.847 -2.907
220 HA PRO 33 HA PRO 33 -2.350 2.987 -2.310
221 HB2 PRO 33 2HB PRO 33 -1.820 3.056 -5.025
222 HB3 PRO 33 1HB PRO 33 -2.902 1.876 -4.259
223 HG2 PRO 33 2HG PRO 33 -3.584 4.350 -5.736
224 HG3 PRO 33 1HG PRO 33 -4.413 2.781 -5.705
225 HD2 PRO 33 2HD PRO 33 -5.322 4.905 -4.340
226 HD3 PRO 33 1HD PRO 33 -5.520 3.242 -3.744
227 H TYR 34 H TYR 34 -0.320 3.732 -1.893
228 HA TYR 34 HA TYR 34 0.214 6.417 -2.400
229 HB2 TYR 34 2HB TYR 34 1.298 5.980 -0.578
230 HB3 TYR 34 1HB TYR 34 1.625 4.278 -0.940
231 HD1 TYR 34 1HD TYR 34 2.821 7.843 -2.122
232 HD2 TYR 34 2HD TYR 34 3.947 3.711 -1.203
233 HE1 TYR 34 1HE TYR 34 4.933 8.327 -2.537
234 HE2 TYR 34 2HE TYR 34 6.147 4.289 -1.661
235 HH TYR 34 HH TYR 34 7.190 7.619 -2.188
236 H VAL 35 H VAL 35 0.888 7.413 -3.937
237 HA VAL 35 HA VAL 35 3.079 6.539 -5.476
238 HB VAL 35 HB VAL 35 1.252 8.222 -6.874
239 HG11 VAL 35 1HG1 VAL 35 2.523 5.721 -7.808
240 HG12 VAL 35 2HG1 VAL 35 3.179 7.345 -7.729
241 HG13 VAL 35 3HG1 VAL 35 1.813 7.018 -8.813
242 HG21 VAL 35 3HG2 VAL 35 -0.490 6.677 -7.620
243 HG22 VAL 35 1HG2 VAL 35 -0.483 6.847 -5.859
244 HG23 VAL 35 2HG2 VAL 35 0.206 5.398 -6.606
245 H ASP 36 H ASP 36 4.349 8.359 -5.364
246 HA ASP 36 HA ASP 36 2.990 10.840 -4.464
247 HB2 ASP 36 2HB ASP 36 5.184 11.605 -3.935
248 HB3 ASP 36 1HB ASP 36 4.915 9.999 -3.227
249 H ALA 37 H ALA 37 4.557 12.521 -5.381
250 HA ALA 37 HA ALA 37 2.508 12.829 -7.126
251 HB1 ALA 37 1HB ALA 37 3.209 14.263 -5.533
252 HB2 ALA 37 2HB ALA 37 3.115 15.142 -7.107
253 HB3 ALA 37 3HB ALA 37 4.700 14.665 -6.385
254 H GLU 38 H GLU 38 5.850 12.076 -7.353
255 HA GLU 38 HA GLU 38 6.149 12.678 -10.007
256 HB2 GLU 38 2HB GLU 38 7.636 11.234 -8.015
257 HB3 GLU 38 1HB GLU 38 8.406 11.687 -9.570
258 HG2 GLU 38 2HG GLU 38 9.132 13.511 -8.353
259 HG3 GLU 38 1HG GLU 38 7.429 14.014 -8.397
260 H GLN 39 H GLN 39 4.358 10.292 -8.488
261 HA GLN 39 HA GLN 39 3.458 8.559 -9.032
262 HB2 GLN 39 2HB GLN 39 5.006 9.120 -11.350
263 HB3 GLN 39 1HB GLN 39 3.977 7.634 -11.404
264 HG2 GLN 39 2HG GLN 39 2.072 9.170 -10.875
265 HG3 GLN 39 1HG GLN 39 3.199 10.520 -10.936
266 HE21 GLN 39 1HE2 GLN 39 2.116 11.529 -12.587
267 HE22 GLN 39 2HE2 GLN 39 2.091 10.921 -14.216
268 H LYS 40 H LYS 40 5.881 8.526 -7.499
269 HA LYS 40 HA LYS 40 7.390 6.115 -7.912
270 HB2 LYS 40 2HB LYS 40 6.841 7.980 -5.712
271 HB3 LYS 40 1HB LYS 40 6.943 6.246 -5.375
272 HG2 LYS 40 2HG LYS 40 8.849 7.662 -5.016
273 HG3 LYS 40 1HG LYS 40 9.145 6.100 -5.816
274 HD2 LYS 40 2HD LYS 40 10.542 7.820 -6.881
275 HD3 LYS 40 1HD LYS 40 9.241 7.420 -7.994
276 HE2 LYS 40 2HE LYS 40 9.690 9.853 -7.840
277 HE3 LYS 40 1HE LYS 40 8.048 9.394 -7.393
278 HZ1 LYS 40 3HZ LYS 40 10.163 9.924 -5.336
279 HZ2 LYS 40 1HZ LYS 40 8.495 9.737 -5.134
280 HZ3 LYS 40 2HZ LYS 40 9.068 11.083 -5.899
281 H ASN 41 H ASN 41 6.800 4.058 -7.198
282 HA ASN 41 HA ASN 41 4.245 3.839 -5.850
283 HB2 ASN 41 2HB ASN 41 4.497 3.063 -8.298
284 HB3 ASN 41 1HB ASN 41 5.524 1.839 -7.546
285 HD21 ASN 41 1HD2 ASN 41 2.219 3.054 -7.550
286 HD22 ASN 41 2HD2 ASN 41 1.475 1.604 -6.979
287 H LEU 42 H LEU 42 4.346 1.491 -4.834
288 HA LEU 42 HA LEU 42 6.838 0.679 -3.819
289 HB2 LEU 42 2HB LEU 42 6.961 2.699 -2.667
290 HB3 LEU 42 1HB LEU 42 5.243 2.675 -2.309
291 HG LEU 42 HG LEU 42 5.518 1.013 -0.890
292 HD11 LEU 42 1HD1 LEU 42 7.621 -0.122 -1.593
293 HD12 LEU 42 2HD1 LEU 42 7.878 0.381 0.078
294 HD13 LEU 42 3HD1 LEU 42 8.553 1.335 -1.246
295 HD21 LEU 42 3HD2 LEU 42 6.707 2.169 1.025
296 HD22 LEU 42 1HD2 LEU 42 5.413 2.967 0.145
297 HD23 LEU 42 2HD2 LEU 42 7.115 3.418 -0.161
298 H PHE 43 H PHE 43 6.704 -1.248 -2.883
299 HA PHE 43 HA PHE 43 4.197 -2.459 -2.599
300 HB2 PHE 43 2HB PHE 43 5.544 -3.608 -4.120
301 HB3 PHE 43 1HB PHE 43 6.988 -3.335 -3.167
302 HD1 PHE 43 1HD PHE 43 3.701 -5.066 -2.617
303 HD2 PHE 43 2HD PHE 43 7.946 -5.276 -2.440
304 HE1 PHE 43 1HE PHE 43 3.554 -7.367 -1.753
305 HE2 PHE 43 2HE PHE 43 7.803 -7.570 -1.572
306 HZ PHE 43 HZ PHE 43 5.604 -8.615 -1.227
307 H LEU 44 H LEU 44 3.609 -3.443 -0.541
308 HA LEU 44 HA LEU 44 4.827 -2.510 1.706
309 HB2 LEU 44 2HB LEU 44 2.341 -3.390 1.057
310 HB3 LEU 44 1HB LEU 44 2.960 -4.801 1.875
311 HG LEU 44 HG LEU 44 1.552 -3.446 3.358
312 HD11 LEU 44 1HD1 LEU 44 4.389 -3.283 4.298
313 HD12 LEU 44 2HD1 LEU 44 3.347 -4.704 4.404
314 HD13 LEU 44 3HD1 LEU 44 2.933 -3.236 5.291
315 HD21 LEU 44 3HD2 LEU 44 3.573 -1.262 3.006
316 HD22 LEU 44 1HD2 LEU 44 2.203 -1.246 4.113
317 HD23 LEU 44 2HD2 LEU 44 1.919 -1.272 2.372
318 H ARG 45 H ARG 45 5.114 -4.584 3.456
319 HA ARG 45 HA ARG 45 7.251 -6.149 2.550
320 HB2 ARG 45 2HB ARG 45 5.560 -6.015 4.918
321 HB3 ARG 45 1HB ARG 45 6.814 -7.300 4.804
322 HG2 ARG 45 2HG ARG 45 8.472 -5.421 4.581
323 HG3 ARG 45 1HG ARG 45 7.149 -4.282 4.847
324 HD2 ARG 45 2HD ARG 45 6.736 -5.260 7.045
325 HD3 ARG 45 1HD ARG 45 8.029 -6.426 6.779
326 HE ARG 45 HE ARG 45 9.064 -3.872 6.436
327 HH11 ARG 45 1HH1 ARG 45 7.781 -5.873 9.065
328 HH12 ARG 45 2HH1 ARG 45 8.696 -5.156 10.300
329 HH21 ARG 45 1HH2 ARG 45 10.372 -2.843 8.152
330 HH22 ARG 45 2HH2 ARG 45 10.224 -3.367 9.756
331 H LYS 46 H LYS 46 7.199 -8.583 2.757
332 HA LYS 46 HA LYS 46 4.785 -9.432 1.412
333 HB2 LYS 46 2HB LYS 46 5.979 -11.305 0.470
334 HB3 LYS 46 1HB LYS 46 6.904 -9.853 0.197
335 HG2 LYS 46 2HG LYS 46 8.498 -11.493 0.665
336 HG3 LYS 46 1HG LYS 46 8.311 -10.669 2.207
337 HD2 LYS 46 2HD LYS 46 7.363 -12.476 3.210
338 HD3 LYS 46 1HD LYS 46 6.512 -12.974 1.752
339 HE2 LYS 46 2HE LYS 46 9.481 -13.316 2.191
340 HE3 LYS 46 1HE LYS 46 8.282 -14.572 2.492
341 HZ1 LYS 46 3HZ LYS 46 7.627 -14.404 0.126
342 HZ2 LYS 46 1HZ LYS 46 9.223 -14.897 0.279
343 HZ3 LYS 46 2HZ LYS 46 8.840 -13.325 -0.181
344 H GLY 47 H GLY 47 3.723 -11.358 1.865
345 HA2 GLY 47 2HA GLY 47 2.829 -12.945 3.276
346 HA3 GLY 47 1HA GLY 47 4.048 -12.544 4.514
347 H LYS 48 H LYS 48 2.445 -9.954 3.009
348 HA LYS 48 HA LYS 48 1.194 -9.082 5.377
349 HB2 LYS 48 2HB LYS 48 2.110 -7.613 3.649
350 HB3 LYS 48 1HB LYS 48 0.957 -8.248 2.499
351 HG2 LYS 48 2HG LYS 48 -0.886 -7.352 3.972
352 HG3 LYS 48 1HG LYS 48 0.361 -6.550 4.926
353 HD2 LYS 48 2HD LYS 48 1.103 -5.355 2.909
354 HD3 LYS 48 1HD LYS 48 -0.181 -6.129 1.989
355 HE2 LYS 48 2HE LYS 48 -1.851 -5.093 3.514
356 HE3 LYS 48 1HE LYS 48 -0.537 -4.238 4.320
357 HZ1 LYS 48 3HZ LYS 48 -0.031 -3.150 2.147
358 HZ2 LYS 48 1HZ LYS 48 -1.624 -2.827 2.651
359 HZ3 LYS 48 2HZ LYS 48 -1.310 -3.994 1.476
360 HA PRO 49 HA PRO 49 -2.668 -11.420 4.816
361 HB2 PRO 49 2HB PRO 49 -4.242 -9.486 6.122
362 HB3 PRO 49 1HB PRO 49 -3.461 -10.867 6.917
363 HG2 PRO 49 2HG PRO 49 -2.588 -8.047 6.791
364 HG3 PRO 49 1HG PRO 49 -2.378 -9.245 8.084
365 HD2 PRO 49 2HD PRO 49 -0.357 -8.540 6.501
366 HD3 PRO 49 1HD PRO 49 -0.533 -10.205 7.093
367 H CYS 50 H CYS 50 -3.897 -11.363 3.041
368 HA CYS 50 HA CYS 50 -4.530 -8.836 1.892
369 HB2 CYS 50 2HB CYS 50 -2.567 -9.303 0.788
370 HB3 CYS 50 1HB CYS 50 -2.876 -11.044 0.706
371 H THR 51 H THR 51 -5.875 -9.347 -0.069
372 HA THR 51 HA THR 51 -8.397 -10.114 0.583
373 HB THR 51 HB THR 51 -8.761 -10.189 -1.922
374 HG1 THR 51 1HG THR 51 -6.024 -9.493 -2.164
375 HG21 THR 51 3HG2 THR 51 -8.581 -8.059 -0.502
376 HG22 THR 51 1HG2 THR 51 -8.229 -7.889 -2.240
377 HG23 THR 51 2HG2 THR 51 -6.905 -8.011 -1.110
378 H VAL 52 H VAL 52 -6.373 -11.902 -1.592
379 HA VAL 52 HA VAL 52 -8.025 -14.276 -1.209
380 HB VAL 52 HB VAL 52 -7.109 -15.084 -3.318
381 HG11 VAL 52 1HG1 VAL 52 -8.117 -12.237 -3.360
382 HG12 VAL 52 2HG1 VAL 52 -9.085 -13.712 -3.436
383 HG13 VAL 52 3HG1 VAL 52 -8.032 -13.274 -4.785
384 HG21 VAL 52 3HG2 VAL 52 -4.843 -13.946 -3.033
385 HG22 VAL 52 1HG2 VAL 52 -5.608 -12.461 -3.576
386 HG23 VAL 52 2HG2 VAL 52 -5.525 -13.846 -4.659
387 H GLY 53 H GLY 53 -5.544 -13.287 0.441
388 HA2 GLY 53 2HA GLY 53 -4.735 -15.424 1.619
389 HA3 GLY 53 1HA GLY 53 -3.800 -15.563 0.122
390 H PHE 54 H PHE 54 -1.872 -14.652 0.141
391 HA PHE 54 HA PHE 54 -1.417 -12.369 1.927
392 HB2 PHE 54 2HB PHE 54 0.369 -14.767 1.529
393 HB3 PHE 54 1HB PHE 54 0.909 -13.309 2.359
394 HD1 PHE 54 2HD PHE 54 -0.290 -12.654 4.485
395 HD2 PHE 54 1HD PHE 54 -0.799 -16.453 2.642
396 HE1 PHE 54 2HE PHE 54 -1.171 -13.554 6.596
397 HE2 PHE 54 1HE PHE 54 -1.683 -17.362 4.748
398 HZ PHE 54 HZ PHE 54 -1.870 -15.912 6.730
399 H CYS 55 H CYS 55 0.353 -11.089 1.251
400 HA CYS 55 HA CYS 55 0.646 -11.045 -1.668
401 HB2 CYS 55 2HB CYS 55 1.323 -9.079 0.488
402 HB3 CYS 55 1HB CYS 55 1.749 -8.842 -1.205
403 H ASP 56 H ASP 56 2.467 -11.959 -2.564
404 HA ASP 56 HA ASP 56 4.682 -11.965 -0.668
405 HB2 ASP 56 2HB ASP 56 3.965 -14.252 -1.715
406 HB3 ASP 56 1HB ASP 56 4.828 -13.694 -3.151
407 H MET 57 H MET 57 6.828 -12.286 -2.548
408 HA MET 57 HA MET 57 7.379 -9.522 -2.901
409 HB2 MET 57 2HB MET 57 8.915 -11.968 -3.765
410 HB3 MET 57 1HB MET 57 9.532 -10.321 -3.850
411 HG2 MET 57 2HG MET 57 9.399 -10.081 -1.471
412 HG3 MET 57 1HG MET 57 8.568 -11.627 -1.337
413 HE1 MET 57 3HE MET 57 11.680 -10.846 -3.648
414 HE2 MET 57 1HE MET 57 13.014 -11.227 -2.559
415 HE3 MET 57 2HE MET 57 11.972 -9.844 -2.225
416 H ASN 58 H ASN 58 5.581 -11.393 -4.769
417 HA ASN 58 HA ASN 58 6.235 -10.446 -7.411
418 HB2 ASN 58 2HB ASN 58 4.890 -12.541 -6.817
419 HB3 ASN 58 1HB ASN 58 3.594 -11.481 -6.317
420 HD21 ASN 58 1HD2 ASN 58 4.123 -9.664 -8.734
421 HD22 ASN 58 2HD2 ASN 58 3.468 -10.550 -10.059
422 H GLY 59 H GLY 59 4.632 -9.265 -4.568
423 HA2 GLY 59 2HA GLY 59 3.419 -7.306 -4.088
424 HA3 GLY 59 1HA GLY 59 3.864 -6.723 -5.718
425 H LYS 60 H LYS 60 2.450 -9.719 -4.950
426 HA LYS 60 HA LYS 60 -0.245 -9.014 -5.926
427 HB2 LYS 60 2HB LYS 60 1.505 -10.123 -7.681
428 HB3 LYS 60 1HB LYS 60 1.147 -11.473 -6.589
429 HG2 LYS 60 2HG LYS 60 -1.219 -11.334 -7.101
430 HG3 LYS 60 1HG LYS 60 -0.933 -9.962 -8.164
431 HD2 LYS 60 2HD LYS 60 -1.129 -11.761 -9.644
432 HD3 LYS 60 1HD LYS 60 0.608 -11.564 -9.478
433 HE2 LYS 60 2HE LYS 60 -1.038 -13.588 -7.938
434 HE3 LYS 60 1HE LYS 60 -0.201 -13.942 -9.436
435 HZ1 LYS 60 3HZ LYS 60 1.056 -13.264 -6.803
436 HZ2 LYS 60 1HZ LYS 60 1.944 -13.496 -8.241
437 HZ3 LYS 60 2HZ LYS 60 0.959 -14.679 -7.477
438 H CYS 61 H CYS 61 -1.586 -10.566 -5.359
439 HA CYS 61 HA CYS 61 -0.961 -11.636 -2.774
440 HB2 CYS 61 2HB CYS 61 -2.948 -10.282 -3.771
441 HB3 CYS 61 1HB CYS 61 -3.479 -11.889 -4.272
442 H GLU 62 H GLU 62 -0.763 -13.820 -2.554
443 HA GLU 62 HA GLU 62 0.351 -15.622 -3.127
444 HB2 GLU 62 2HB GLU 62 -2.085 -15.543 -4.682
445 HB3 GLU 62 1HB GLU 62 -1.205 -17.113 -4.556
446 HG2 GLU 62 2HG GLU 62 -2.823 -15.488 -2.560
447 HG3 GLU 62 1HG GLU 62 -3.075 -17.160 -3.033
Start of MODEL 2
1 H PHE 1 1HT PHE 1 5.761 4.628 5.440
2 HA PHE 1 HA PHE 1 4.872 2.557 4.237
3 HB2 PHE 1 2HB PHE 1 3.341 2.474 6.711
4 HB3 PHE 1 1HB PHE 1 2.384 3.170 5.410
5 HD1 PHE 1 1HD PHE 1 4.281 0.060 6.069
6 HD2 PHE 1 2HD PHE 1 1.077 2.090 4.264
7 HE1 PHE 1 1HE PHE 1 3.290 -2.117 5.468
8 HE2 PHE 1 2HE PHE 1 0.023 -0.090 3.626
9 HZ PHE 1 HZ PHE 1 1.150 -2.188 4.247
10 H CYS 2 H CYS 2 2.510 4.860 5.544
11 HA CYS 2 HA CYS 2 3.108 6.387 3.170
12 HB2 CYS 2 2HB CYS 2 0.866 5.305 3.130
13 HB3 CYS 2 1HB CYS 2 0.417 6.304 4.511
14 H GLU 3 H GLU 3 2.846 6.314 6.511
15 HA GLU 3 HA GLU 3 2.218 8.759 7.533
16 HB2 GLU 3 2HB GLU 3 4.580 7.187 8.559
17 HB3 GLU 3 1HB GLU 3 3.495 8.212 9.469
18 HG2 GLU 3 2HG GLU 3 3.048 5.964 10.051
19 HG3 GLU 3 1HG GLU 3 1.696 6.518 9.051
20 H ARG 4 H ARG 4 5.480 7.712 6.692
21 HA ARG 4 HA ARG 4 6.475 10.316 7.091
22 HB2 ARG 4 2HB ARG 4 7.833 8.421 7.716
23 HB3 ARG 4 1HB ARG 4 7.776 7.799 6.076
24 HG2 ARG 4 2HG ARG 4 9.008 9.868 5.355
25 HG3 ARG 4 1HG ARG 4 9.228 10.242 7.065
26 HD2 ARG 4 2HD ARG 4 11.180 9.078 6.147
27 HD3 ARG 4 1HD ARG 4 10.384 8.108 7.389
28 HE ARG 4 HE ARG 4 9.215 7.216 5.123
29 HH11 ARG 4 1HH1 ARG 4 12.631 7.516 5.970
30 HH12 ARG 4 2HH1 ARG 4 13.124 6.237 4.950
31 HH21 ARG 4 1HH2 ARG 4 9.782 5.625 3.844
32 HH22 ARG 4 2HH2 ARG 4 11.392 5.056 3.619
33 H GLU 5 H GLU 5 5.928 8.040 4.434
34 HA GLU 5 HA GLU 5 7.067 9.100 2.313
35 HB2 GLU 5 2HB GLU 5 4.527 7.584 2.726
36 HB3 GLU 5 1HB GLU 5 5.356 7.716 1.189
37 HG2 GLU 5 2HG GLU 5 5.679 5.557 2.592
38 HG3 GLU 5 1HG GLU 5 7.174 6.315 1.930
39 H GLN 6 H GLN 6 3.569 9.658 3.244
40 HA GLN 6 HA GLN 6 3.491 11.961 1.372
41 HB2 GLN 6 2HB GLN 6 1.385 9.969 2.137
42 HB3 GLN 6 1HB GLN 6 1.098 11.419 1.192
43 HG2 GLN 6 2HG GLN 6 2.987 9.274 0.455
44 HG3 GLN 6 1HG GLN 6 1.261 9.336 -0.039
45 HE21 GLN 6 1HE2 GLN 6 0.586 10.931 -1.459
46 HE22 GLN 6 2HE2 GLN 6 1.704 11.828 -2.429
47 H GLN 7 H GLN 7 3.440 10.946 4.485
48 HA GLN 7 HA GLN 7 2.768 11.500 6.326
49 HB2 GLN 7 2HB GLN 7 2.136 14.206 5.127
50 HB3 GLN 7 1HB GLN 7 2.180 13.899 6.863
51 HG2 GLN 7 2HG GLN 7 4.486 13.263 6.749
52 HG3 GLN 7 1HG GLN 7 4.461 13.390 4.996
53 HE21 GLN 7 1HE2 GLN 7 6.106 14.897 4.982
54 HE22 GLN 7 2HE2 GLN 7 5.889 16.536 5.519
55 H LEU 8 H LEU 8 0.988 10.400 4.448
56 HA LEU 8 HA LEU 8 -1.744 10.990 5.427
57 HB2 LEU 8 2HB LEU 8 -0.716 9.187 3.261
58 HB3 LEU 8 1HB LEU 8 -2.390 9.319 3.762
59 HG LEU 8 HG LEU 8 -0.846 11.628 2.892
60 HD11 LEU 8 1HD1 LEU 8 -0.713 10.020 0.995
61 HD12 LEU 8 2HD1 LEU 8 -1.937 11.217 0.557
62 HD13 LEU 8 3HD1 LEU 8 -2.420 9.637 1.185
63 HD21 LEU 8 3HD2 LEU 8 -3.093 12.506 2.250
64 HD22 LEU 8 1HD2 LEU 8 -2.913 12.148 3.967
65 HD23 LEU 8 2HD2 LEU 8 -3.795 11.035 2.922
66 H GLU 9 H GLU 9 -2.841 9.531 6.165
67 HA GLU 9 HA GLU 9 -1.452 7.716 7.975
68 HB2 GLU 9 2HB GLU 9 -3.900 8.920 8.205
69 HB3 GLU 9 1HB GLU 9 -4.304 7.318 7.562
70 HG2 GLU 9 2HG GLU 9 -3.118 6.263 9.420
71 HG3 GLU 9 1HG GLU 9 -2.827 7.855 10.121
72 H SER 10 H SER 10 -1.375 5.459 7.715
73 HA SER 10 HA SER 10 -1.586 4.603 5.083
74 HB2 SER 10 2HB SER 10 -0.458 2.661 6.061
75 HB3 SER 10 1HB SER 10 0.142 4.289 6.537
76 HG SER 10 HG SER 10 0.101 3.480 8.397
77 H CYS 11 H CYS 11 -2.671 2.680 4.481
78 HA CYS 11 HA CYS 11 -4.671 1.537 6.161
79 HB2 CYS 11 2HB CYS 11 -5.847 3.655 5.146
80 HB3 CYS 11 1HB CYS 11 -5.630 2.858 3.601
81 H ALA 12 H ALA 12 -6.009 0.023 4.430
82 HA ALA 12 HA ALA 12 -4.052 -1.137 2.601
83 HB1 ALA 12 1HB ALA 12 -5.892 -2.600 4.506
84 HB2 ALA 12 2HB ALA 12 -4.132 -2.541 4.608
85 HB3 ALA 12 3HB ALA 12 -4.912 -3.369 3.257
86 H CYS 13 H CYS 13 -4.987 -1.650 0.608
87 HA CYS 13 HA CYS 13 -7.600 -0.626 0.204
88 HB2 CYS 13 2HB CYS 13 -5.563 -1.908 -1.605
89 HB3 CYS 13 1HB CYS 13 -7.022 -1.094 -2.144
90 H ASN 14 H ASN 14 -9.397 -1.694 0.012
91 HA ASN 14 HA ASN 14 -9.714 -4.309 0.965
92 HB2 ASN 14 2HB ASN 14 -11.450 -2.525 1.037
93 HB3 ASN 14 1HB ASN 14 -11.615 -2.685 -0.710
94 HD21 ASN 14 1HD2 ASN 14 -12.826 -4.423 -1.545
95 HD22 ASN 14 2HD2 ASN 14 -13.720 -5.480 -0.508
96 H GLU 15 H GLU 15 -9.097 -3.113 -2.197
97 HA GLU 15 HA GLU 15 -10.087 -5.245 -3.582
98 HB2 GLU 15 2HB GLU 15 -9.705 -2.903 -4.443
99 HB3 GLU 15 1HB GLU 15 -7.984 -3.234 -4.408
100 HG2 GLU 15 2HG GLU 15 -9.946 -4.741 -6.126
101 HG3 GLU 15 1HG GLU 15 -9.021 -3.340 -6.665
102 H THR 16 H THR 16 -8.763 -7.049 -4.471
103 HA THR 16 HA THR 16 -7.013 -8.195 -2.624
104 HB THR 16 HB THR 16 -7.590 -8.913 -5.487
105 HG1 THR 16 1HG THR 16 -8.902 -9.163 -3.147
106 HG21 THR 16 3HG2 THR 16 -6.253 -10.619 -3.332
107 HG22 THR 16 1HG2 THR 16 -5.432 -9.839 -4.694
108 HG23 THR 16 2HG2 THR 16 -6.627 -11.109 -4.982
109 H ASP 17 H ASP 17 -6.327 -6.778 -5.815
110 HA ASP 17 HA ASP 17 -3.657 -7.602 -5.636
111 HB2 ASP 17 2HB ASP 17 -4.695 -7.266 -7.800
112 HB3 ASP 17 1HB ASP 17 -4.976 -5.572 -7.346
113 H ASN 18 H ASN 18 -5.445 -4.601 -5.055
114 HA ASN 18 HA ASN 18 -3.134 -3.028 -4.739
115 HB2 ASN 18 2HB ASN 18 -5.659 -2.341 -5.302
116 HB3 ASN 18 1HB ASN 18 -5.699 -2.197 -3.541
117 HD21 ASN 18 1HD2 ASN 18 -3.034 -1.197 -3.170
118 HD22 ASN 18 2HD2 ASN 18 -3.054 0.418 -3.785
119 H SER 19 H SER 19 -4.663 -5.186 -2.770
120 HA SER 19 HA SER 19 -3.921 -3.907 -0.315
121 HB2 SER 19 2HB SER 19 -4.404 -6.078 0.897
122 HB3 SER 19 1HB SER 19 -5.738 -5.474 -0.085
123 HG SER 19 HG SER 19 -4.472 -7.112 -1.677
124 H CYS 20 H CYS 20 -2.123 -5.418 -2.605
125 HA CYS 20 HA CYS 20 0.027 -6.098 -0.772
126 HB2 CYS 20 2HB CYS 20 -0.339 -6.449 -3.707
127 HB3 CYS 20 1HB CYS 20 1.153 -6.883 -2.899
128 H LYS 21 H LYS 21 -1.036 -3.315 -1.833
129 HA LYS 21 HA LYS 21 1.652 -2.091 -1.934
130 HB2 LYS 21 2HB LYS 21 -0.890 -1.422 -3.360
131 HB3 LYS 21 1HB LYS 21 0.506 -0.343 -3.278
132 HG2 LYS 21 2HG LYS 21 0.646 -1.219 -5.451
133 HG3 LYS 21 1HG LYS 21 1.700 -2.286 -4.521
134 HD2 LYS 21 2HD LYS 21 -0.071 -3.972 -4.418
135 HD3 LYS 21 1HD LYS 21 -1.150 -2.897 -5.312
136 HE2 LYS 21 2HE LYS 21 0.406 -2.940 -7.225
137 HE3 LYS 21 1HE LYS 21 1.463 -4.028 -6.336
138 HZ1 LYS 21 3HZ LYS 21 -0.448 -5.684 -6.357
139 HZ2 LYS 21 1HZ LYS 21 0.058 -5.294 -7.894
140 HZ3 LYS 21 2HZ LYS 21 -1.308 -4.638 -7.301
141 H VAL 22 H VAL 22 1.998 -0.466 -1.212
142 HA VAL 22 HA VAL 22 0.917 -0.203 1.339
143 HB VAL 22 HB VAL 22 2.772 1.445 -0.321
144 HG11 VAL 22 1HG1 VAL 22 3.358 2.623 1.777
145 HG12 VAL 22 2HG1 VAL 22 2.042 1.816 2.641
146 HG13 VAL 22 3HG1 VAL 22 1.699 2.828 1.245
147 HG21 VAL 22 3HG2 VAL 22 3.265 -0.530 1.929
148 HG22 VAL 22 1HG2 VAL 22 4.521 0.306 1.028
149 HG23 VAL 22 2HG2 VAL 22 3.474 -0.932 0.251
150 H CYS 23 H CYS 23 -0.892 0.471 1.460
151 HA CYS 23 HA CYS 23 -1.862 2.660 -0.224
152 HB2 CYS 23 2HB CYS 23 -3.550 1.048 1.689
153 HB3 CYS 23 1HB CYS 23 -4.035 2.246 0.477
154 H CYS 24 H CYS 24 -2.841 4.460 0.507
155 HA CYS 24 HA CYS 24 -2.147 5.426 3.199
156 HB2 CYS 24 2HB CYS 24 -2.699 6.916 0.622
157 HB3 CYS 24 1HB CYS 24 -2.227 7.649 2.143
158 H ARG 25 H ARG 25 -3.946 7.305 3.671
159 HA ARG 25 HA ARG 25 -6.459 6.427 2.486
160 HB2 ARG 25 2HB ARG 25 -5.821 5.996 5.022
161 HB3 ARG 25 1HB ARG 25 -6.346 7.669 5.148
162 HG2 ARG 25 2HG ARG 25 -8.430 6.897 3.807
163 HG3 ARG 25 1HG ARG 25 -7.862 5.282 4.286
164 HD2 ARG 25 2HD ARG 25 -8.391 7.522 6.126
165 HD3 ARG 25 1HD ARG 25 -9.570 6.263 5.759
166 HE ARG 25 HE ARG 25 -7.927 4.637 6.637
167 HH11 ARG 25 1HH1 ARG 25 -7.789 7.996 7.847
168 HH12 ARG 25 2HH1 ARG 25 -6.834 7.594 9.200
169 HH21 ARG 25 1HH2 ARG 25 -6.639 4.124 8.611
170 HH22 ARG 25 2HH2 ARG 25 -6.218 5.422 9.631
171 H ASP 26 H ASP 26 -7.929 8.113 2.257
172 HA ASP 26 HA ASP 26 -6.552 10.639 1.875
173 HB2 ASP 26 2HB ASP 26 -7.579 10.848 -0.163
174 HB3 ASP 26 1HB ASP 26 -7.726 9.102 -0.031
175 H LEU 27 H LEU 27 -8.406 12.210 1.626
176 HA LEU 27 HA LEU 27 -9.131 12.922 4.179
177 HB2 LEU 27 2HB LEU 27 -10.606 14.617 2.921
178 HB3 LEU 27 1HB LEU 27 -8.843 14.835 2.978
179 HG LEU 27 HG LEU 27 -10.216 13.474 0.654
180 HD11 LEU 27 1HD1 LEU 27 -10.422 15.684 -0.438
181 HD12 LEU 27 2HD1 LEU 27 -9.876 16.464 1.047
182 HD13 LEU 27 3HD1 LEU 27 -11.416 15.605 1.015
183 HD21 LEU 27 3HD2 LEU 27 -8.343 14.441 -0.608
184 HD22 LEU 27 1HD2 LEU 27 -7.742 13.458 0.727
185 HD23 LEU 27 2HD2 LEU 27 -7.747 15.212 0.858
186 H SER 28 H SER 28 -10.897 11.532 1.595
187 HA SER 28 HA SER 28 -13.439 11.825 2.809
188 HB2 SER 28 2HB SER 28 -13.265 11.988 0.380
189 HB3 SER 28 1HB SER 28 -12.590 10.366 0.295
190 HG SER 28 HG SER 28 -14.757 9.974 1.524
191 H GLY 29 H GLY 29 -10.871 9.920 3.295
192 HA2 GLY 29 2HA GLY 29 -10.588 8.414 4.709
193 HA3 GLY 29 1HA GLY 29 -12.331 8.104 4.887
194 H ARG 30 H ARG 30 -10.967 8.035 1.712
195 HA ARG 30 HA ARG 30 -11.503 5.201 1.515
196 HB2 ARG 30 2HB ARG 30 -10.581 7.231 -0.516
197 HB3 ARG 30 1HB ARG 30 -11.117 5.592 -0.864
198 HG2 ARG 30 2HG ARG 30 -13.335 6.081 -0.351
199 HG3 ARG 30 1HG ARG 30 -12.899 7.554 0.521
200 HD2 ARG 30 2HD ARG 30 -12.551 7.123 -2.434
201 HD3 ARG 30 1HD ARG 30 -13.891 8.002 -1.682
202 HE ARG 30 HE ARG 30 -11.428 9.041 -0.794
203 HH11 ARG 30 1HH1 ARG 30 -13.432 9.010 -3.697
204 HH12 ARG 30 2HH1 ARG 30 -12.955 10.556 -4.243
205 HH21 ARG 30 1HH2 ARG 30 -10.798 11.143 -1.466
206 HH22 ARG 30 2HH2 ARG 30 -11.363 11.838 -2.915
207 H CYS 31 H CYS 31 -9.923 3.714 1.139
208 HA CYS 31 HA CYS 31 -7.232 4.558 1.751
209 HB2 CYS 31 2HB CYS 31 -8.362 1.782 1.345
210 HB3 CYS 31 1HB CYS 31 -6.804 2.179 2.074
211 H VAL 32 H VAL 32 -5.827 4.985 0.203
212 HA VAL 32 HA VAL 32 -6.485 4.150 -2.427
213 HB VAL 32 HB VAL 32 -5.820 6.258 -3.309
214 HG11 VAL 32 1HG1 VAL 32 -7.267 6.931 -0.749
215 HG12 VAL 32 2HG1 VAL 32 -7.996 6.414 -2.268
216 HG13 VAL 32 3HG1 VAL 32 -7.146 7.954 -2.176
217 HG21 VAL 32 3HG2 VAL 32 -4.498 6.800 -0.652
218 HG22 VAL 32 1HG2 VAL 32 -4.733 8.054 -1.903
219 HG23 VAL 32 2HG2 VAL 32 -3.788 6.608 -2.260
220 HA PRO 33 HA PRO 33 -2.199 2.677 -2.263
221 HB2 PRO 33 2HB PRO 33 -1.358 3.272 -4.888
222 HB3 PRO 33 1HB PRO 33 -2.163 1.783 -4.373
223 HG2 PRO 33 2HG PRO 33 -3.216 3.719 -6.095
224 HG3 PRO 33 1HG PRO 33 -4.095 2.379 -5.341
225 HD2 PRO 33 2HD PRO 33 -4.034 5.254 -4.532
226 HD3 PRO 33 1HD PRO 33 -5.312 4.034 -4.324
227 H TYR 34 H TYR 34 -0.125 3.479 -1.572
228 HA TYR 34 HA TYR 34 0.342 6.230 -1.843
229 HB2 TYR 34 2HB TYR 34 1.477 5.683 -0.048
230 HB3 TYR 34 1HB TYR 34 1.661 3.984 -0.506
231 HD1 TYR 34 1HD TYR 34 3.142 7.435 -1.498
232 HD2 TYR 34 2HD TYR 34 3.926 3.238 -0.702
233 HE1 TYR 34 1HE TYR 34 5.392 7.751 -1.876
234 HE2 TYR 34 2HE TYR 34 6.203 3.649 -1.094
235 HH TYR 34 HH TYR 34 7.458 6.927 -1.678
236 H VAL 35 H VAL 35 1.287 7.425 -3.247
237 HA VAL 35 HA VAL 35 3.378 6.484 -4.942
238 HB VAL 35 HB VAL 35 1.790 8.542 -6.074
239 HG11 VAL 35 1HG1 VAL 35 3.514 7.581 -7.180
240 HG12 VAL 35 2HG1 VAL 35 2.047 7.408 -8.152
241 HG13 VAL 35 3HG1 VAL 35 2.715 6.008 -7.284
242 HG21 VAL 35 3HG2 VAL 35 -0.141 7.346 -5.182
243 HG22 VAL 35 1HG2 VAL 35 0.327 5.894 -6.053
244 HG23 VAL 35 2HG2 VAL 35 -0.173 7.337 -6.956
245 H ASP 36 H ASP 36 4.896 8.193 -4.798
246 HA ASP 36 HA ASP 36 3.880 10.705 -3.573
247 HB2 ASP 36 2HB ASP 36 6.091 11.007 -2.738
248 HB3 ASP 36 1HB ASP 36 5.426 9.455 -2.233
249 H ALA 37 H ALA 37 5.751 12.077 -3.987
250 HA ALA 37 HA ALA 37 4.206 13.164 -5.860
251 HB1 ALA 37 1HB ALA 37 5.163 14.057 -4.038
252 HB2 ALA 37 2HB ALA 37 5.509 15.127 -5.459
253 HB3 ALA 37 3HB ALA 37 6.777 14.044 -4.745
254 H GLU 38 H GLU 38 7.077 11.319 -6.017
255 HA GLU 38 HA GLU 38 8.009 12.137 -8.461
256 HB2 GLU 38 2HB GLU 38 8.518 9.990 -6.552
257 HB3 GLU 38 1HB GLU 38 9.402 10.011 -8.087
258 HG2 GLU 38 2HG GLU 38 10.380 12.162 -7.463
259 HG3 GLU 38 1HG GLU 38 9.409 12.190 -5.987
260 H GLN 39 H GLN 39 5.218 10.305 -7.483
261 HA GLN 39 HA GLN 39 3.873 9.020 -8.298
262 HB2 GLN 39 2HB GLN 39 5.541 9.620 -10.562
263 HB3 GLN 39 1HB GLN 39 4.047 8.644 -10.840
264 HG2 GLN 39 2HG GLN 39 4.386 11.424 -9.740
265 HG3 GLN 39 1HG GLN 39 3.720 11.070 -11.350
266 HE21 GLN 39 1HE2 GLN 39 2.602 12.581 -9.154
267 HE22 GLN 39 2HE2 GLN 39 1.120 11.789 -8.714
268 H LYS 40 H LYS 40 6.216 8.127 -7.010
269 HA LYS 40 HA LYS 40 6.809 5.619 -8.315
270 HB2 LYS 40 2HB LYS 40 8.577 5.384 -6.975
271 HB3 LYS 40 1HB LYS 40 8.322 7.190 -6.965
272 HG2 LYS 40 2HG LYS 40 7.535 7.182 -4.789
273 HG3 LYS 40 1HG LYS 40 7.325 5.431 -4.769
274 HD2 LYS 40 2HD LYS 40 9.273 6.041 -3.449
275 HD3 LYS 40 1HD LYS 40 9.779 5.154 -4.881
276 HE2 LYS 40 2HE LYS 40 11.282 7.014 -4.502
277 HE3 LYS 40 1HE LYS 40 10.352 7.310 -5.967
278 HZ1 LYS 40 3HZ LYS 40 9.650 8.449 -3.318
279 HZ2 LYS 40 1HZ LYS 40 8.936 8.809 -4.752
280 HZ3 LYS 40 2HZ LYS 40 10.502 9.315 -4.496
281 H ASN 41 H ASN 41 6.353 3.676 -7.405
282 HA ASN 41 HA ASN 41 4.105 3.794 -5.545
283 HB2 ASN 41 2HB ASN 41 3.855 3.004 -7.986
284 HB3 ASN 41 1HB ASN 41 4.793 1.631 -7.405
285 HD21 ASN 41 1HD2 ASN 41 1.739 3.304 -6.961
286 HD22 ASN 41 2HD2 ASN 41 0.890 1.976 -6.259
287 H LEU 42 H LEU 42 3.964 1.526 -4.544
288 HA LEU 42 HA LEU 42 6.429 0.313 -3.868
289 HB2 LEU 42 2HB LEU 42 6.840 2.122 -2.457
290 HB3 LEU 42 1HB LEU 42 5.148 2.269 -2.033
291 HG LEU 42 HG LEU 42 5.233 0.419 -0.755
292 HD11 LEU 42 1HD1 LEU 42 7.067 -0.925 -1.755
293 HD12 LEU 42 2HD1 LEU 42 7.474 -0.672 -0.058
294 HD13 LEU 42 3HD1 LEU 42 8.247 0.307 -1.307
295 HD21 LEU 42 3HD2 LEU 42 6.638 1.143 1.151
296 HD22 LEU 42 1HD2 LEU 42 5.577 2.335 0.434
297 HD23 LEU 42 2HD2 LEU 42 7.330 2.392 0.098
298 H PHE 43 H PHE 43 5.499 -1.598 -4.435
299 HA PHE 43 HA PHE 43 3.267 -2.610 -3.267
300 HB2 PHE 43 2HB PHE 43 4.037 -4.670 -4.412
301 HB3 PHE 43 1HB PHE 43 4.255 -3.172 -5.344
302 HD1 PHE 43 1HD PHE 43 6.336 -2.377 -6.062
303 HD2 PHE 43 2HD PHE 43 6.112 -5.798 -3.544
304 HE1 PHE 43 1HE PHE 43 8.700 -2.862 -6.520
305 HE2 PHE 43 2HE PHE 43 8.478 -6.285 -3.994
306 HZ PHE 43 HZ PHE 43 9.777 -4.818 -5.483
307 H LEU 44 H LEU 44 3.205 -4.134 -1.481
308 HA LEU 44 HA LEU 44 4.716 -3.563 0.570
309 HB2 LEU 44 2HB LEU 44 3.072 -6.027 0.060
310 HB3 LEU 44 1HB LEU 44 3.804 -5.713 1.612
311 HG LEU 44 HG LEU 44 1.712 -4.013 0.258
312 HD11 LEU 44 1HD1 LEU 44 0.281 -4.795 2.068
313 HD12 LEU 44 2HD1 LEU 44 1.598 -5.776 2.703
314 HD13 LEU 44 3HD1 LEU 44 0.890 -6.165 1.137
315 HD21 LEU 44 3HD2 LEU 44 3.003 -3.757 2.964
316 HD22 LEU 44 1HD2 LEU 44 1.668 -2.788 2.348
317 HD23 LEU 44 2HD2 LEU 44 3.252 -2.675 1.592
318 H ARG 45 H ARG 45 5.959 -5.564 1.846
319 HA ARG 45 HA ARG 45 7.781 -6.828 0.067
320 HB2 ARG 45 2HB ARG 45 7.577 -6.302 2.894
321 HB3 ARG 45 1HB ARG 45 8.398 -7.827 2.508
322 HG2 ARG 45 2HG ARG 45 10.066 -6.086 2.828
323 HG3 ARG 45 1HG ARG 45 10.024 -6.525 1.131
324 HD2 ARG 45 2HD ARG 45 8.599 -4.112 2.264
325 HD3 ARG 45 1HD ARG 45 10.251 -4.057 1.674
326 HE ARG 45 HE ARG 45 7.901 -4.703 0.000
327 HH11 ARG 45 1HH1 ARG 45 11.147 -3.291 0.307
328 HH12 ARG 45 2HH1 ARG 45 11.119 -2.522 -1.206
329 HH21 ARG 45 1HH2 ARG 45 7.837 -3.607 -2.046
330 HH22 ARG 45 2HH2 ARG 45 9.169 -2.725 -2.616
331 H LYS 46 H LYS 46 8.261 -9.244 0.542
332 HA LYS 46 HA LYS 46 5.862 -10.643 -0.058
333 HB2 LYS 46 2HB LYS 46 7.305 -12.692 -0.166
334 HB3 LYS 46 1HB LYS 46 7.825 -11.386 -1.209
335 HG2 LYS 46 2HG LYS 46 9.610 -10.817 0.298
336 HG3 LYS 46 1HG LYS 46 9.017 -11.958 1.494
337 HD2 LYS 46 2HD LYS 46 10.994 -12.836 0.315
338 HD3 LYS 46 1HD LYS 46 9.578 -13.829 0.017
339 HE2 LYS 46 2HE LYS 46 10.192 -11.678 -1.953
340 HE3 LYS 46 1HE LYS 46 11.255 -13.078 -1.923
341 HZ1 LYS 46 3HZ LYS 46 9.303 -13.201 -3.508
342 HZ2 LYS 46 1HZ LYS 46 8.277 -13.318 -2.229
343 HZ3 LYS 46 2HZ LYS 46 9.387 -14.506 -2.462
344 H GLY 47 H GLY 47 4.566 -11.791 1.078
345 HA2 GLY 47 2HA GLY 47 3.862 -13.297 2.663
346 HA3 GLY 47 1HA GLY 47 5.403 -13.130 3.529
347 H LYS 48 H LYS 48 3.515 -10.379 2.535
348 HA LYS 48 HA LYS 48 2.761 -9.987 5.299
349 HB2 LYS 48 2HB LYS 48 3.285 -8.298 2.997
350 HB3 LYS 48 1HB LYS 48 1.861 -7.779 3.899
351 HG2 LYS 48 2HG LYS 48 3.467 -6.510 4.971
352 HG3 LYS 48 1HG LYS 48 3.545 -7.953 5.957
353 HD2 LYS 48 2HD LYS 48 5.439 -7.257 3.692
354 HD3 LYS 48 1HD LYS 48 5.767 -7.007 5.395
355 HE2 LYS 48 2HE LYS 48 5.384 -9.656 3.996
356 HE3 LYS 48 1HE LYS 48 6.910 -8.978 4.542
357 HZ1 LYS 48 3HZ LYS 48 6.070 -10.672 6.004
358 HZ2 LYS 48 1HZ LYS 48 4.652 -9.826 6.274
359 HZ3 LYS 48 2HZ LYS 48 6.129 -9.204 6.844
360 HA PRO 49 HA PRO 49 -1.213 -11.585 4.281
361 HB2 PRO 49 2HB PRO 49 -2.663 -10.473 6.321
362 HB3 PRO 49 1HB PRO 49 -1.594 -11.875 6.546
363 HG2 PRO 49 2HG PRO 49 -1.089 -9.024 7.182
364 HG3 PRO 49 1HG PRO 49 -0.638 -10.483 8.087
365 HD2 PRO 49 2HD PRO 49 1.127 -9.131 6.560
366 HD3 PRO 49 1HD PRO 49 1.213 -10.887 6.801
367 H CYS 50 H CYS 50 -2.819 -10.957 3.009
368 HA CYS 50 HA CYS 50 -3.441 -8.148 2.839
369 HB2 CYS 50 2HB CYS 50 -3.525 -8.369 0.416
370 HB3 CYS 50 1HB CYS 50 -1.942 -8.831 1.019
371 H THR 51 H THR 51 -5.331 -8.778 0.709
372 HA THR 51 HA THR 51 -7.686 -9.209 2.088
373 HB THR 51 HB THR 51 -8.490 -9.708 -0.325
374 HG1 THR 51 1HG THR 51 -6.012 -8.587 -1.066
375 HG21 THR 51 3HG2 THR 51 -8.611 -7.518 0.851
376 HG22 THR 51 1HG2 THR 51 -8.290 -7.376 -0.895
377 HG23 THR 51 2HG2 THR 51 -6.961 -7.223 0.250
378 H VAL 52 H VAL 52 -6.297 -11.239 -0.322
379 HA VAL 52 HA VAL 52 -7.910 -13.452 0.572
380 HB VAL 52 HB VAL 52 -7.263 -14.638 -1.466
381 HG11 VAL 52 1HG1 VAL 52 -9.205 -13.212 -1.518
382 HG12 VAL 52 2HG1 VAL 52 -8.345 -13.027 -3.055
383 HG13 VAL 52 3HG1 VAL 52 -8.199 -11.794 -1.798
384 HG21 VAL 52 3HG2 VAL 52 -5.714 -12.139 -2.201
385 HG22 VAL 52 1HG2 VAL 52 -5.939 -13.554 -3.204
386 HG23 VAL 52 2HG2 VAL 52 -4.957 -13.673 -1.752
387 H GLY 53 H GLY 53 -4.511 -12.777 0.587
388 HA2 GLY 53 2HA GLY 53 -4.126 -14.822 2.504
389 HA3 GLY 53 1HA GLY 53 -3.476 -15.211 0.903
390 H PHE 54 H PHE 54 -1.485 -14.591 0.464
391 HA PHE 54 HA PHE 54 -0.374 -12.391 2.054
392 HB2 PHE 54 2HB PHE 54 1.022 -14.928 1.293
393 HB3 PHE 54 1HB PHE 54 1.824 -13.503 1.992
394 HD1 PHE 54 2HD PHE 54 1.313 -12.852 4.325
395 HD2 PHE 54 1HD PHE 54 -0.180 -16.464 2.644
396 HE1 PHE 54 2HE PHE 54 0.811 -13.686 6.580
397 HE2 PHE 54 1HE PHE 54 -0.688 -17.307 4.897
398 HZ PHE 54 HZ PHE 54 -0.191 -15.917 6.871
399 H CYS 55 H CYS 55 1.039 -11.156 1.151
400 HA CYS 55 HA CYS 55 0.892 -10.842 -1.748
401 HB2 CYS 55 2HB CYS 55 2.022 -9.182 0.438
402 HB3 CYS 55 1HB CYS 55 2.087 -8.732 -1.260
403 H ASP 56 H ASP 56 2.527 -11.307 -3.059
404 HA ASP 56 HA ASP 56 5.153 -11.538 -1.744
405 HB2 ASP 56 2HB ASP 56 4.298 -13.527 -3.201
406 HB3 ASP 56 1HB ASP 56 4.721 -12.506 -4.578
407 H MET 57 H MET 57 6.879 -11.046 -3.883
408 HA MET 57 HA MET 57 6.793 -8.162 -3.773
409 HB2 MET 57 2HB MET 57 8.832 -10.082 -4.886
410 HB3 MET 57 1HB MET 57 9.013 -8.334 -4.942
411 HG2 MET 57 2HG MET 57 8.995 -8.205 -2.540
412 HG3 MET 57 1HG MET 57 8.654 -9.925 -2.417
413 HE1 MET 57 3HE MET 57 11.319 -7.207 -3.466
414 HE2 MET 57 1HE MET 57 11.166 -8.180 -4.932
415 HE3 MET 57 2HE MET 57 12.658 -8.224 -3.996
416 H ASN 58 H ASN 58 5.380 -10.236 -5.725
417 HA ASN 58 HA ASN 58 5.705 -8.794 -8.213
418 HB2 ASN 58 2HB ASN 58 5.280 -11.211 -8.291
419 HB3 ASN 58 1HB ASN 58 3.789 -11.003 -7.388
420 HD21 ASN 58 1HD2 ASN 58 5.357 -10.541 -10.481
421 HD22 ASN 58 2HD2 ASN 58 3.888 -10.312 -11.369
422 H GLY 59 H GLY 59 3.909 -8.536 -5.343
423 HA2 GLY 59 2HA GLY 59 2.482 -6.794 -4.713
424 HA3 GLY 59 1HA GLY 59 2.348 -6.323 -6.418
425 H LYS 60 H LYS 60 1.987 -9.560 -5.933
426 HA LYS 60 HA LYS 60 -1.012 -9.470 -5.809
427 HB2 LYS 60 2HB LYS 60 0.937 -11.274 -7.152
428 HB3 LYS 60 1HB LYS 60 -0.627 -11.843 -6.619
429 HG2 LYS 60 2HG LYS 60 -1.682 -10.142 -8.027
430 HG3 LYS 60 1HG LYS 60 -0.090 -9.681 -8.640
431 HD2 LYS 60 2HD LYS 60 -0.992 -11.184 -10.264
432 HD3 LYS 60 1HD LYS 60 0.203 -12.100 -9.363
433 HE2 LYS 60 2HE LYS 60 -2.803 -12.234 -8.914
434 HE3 LYS 60 1HE LYS 60 -1.887 -13.383 -9.866
435 HZ1 LYS 60 3HZ LYS 60 -1.817 -13.063 -6.871
436 HZ2 LYS 60 1HZ LYS 60 -0.668 -13.956 -7.662
437 HZ3 LYS 60 2HZ LYS 60 -2.205 -14.394 -7.719
438 H CYS 61 H CYS 61 -2.005 -10.515 -4.672
439 HA CYS 61 HA CYS 61 -0.878 -11.920 -2.467
440 HB2 CYS 61 2HB CYS 61 -3.419 -11.357 -3.779
441 HB3 CYS 61 1HB CYS 61 -3.454 -12.460 -2.356
442 H GLU 62 H GLU 62 -0.629 -14.133 -2.641
443 HA GLU 62 HA GLU 62 0.420 -15.577 -4.145
444 HB2 GLU 62 2HB GLU 62 -1.406 -17.524 -4.171
445 HB3 GLU 62 1HB GLU 62 -0.544 -16.971 -2.741
446 HG2 GLU 62 2HG GLU 62 -3.258 -15.909 -3.430
447 HG3 GLU 62 1HG GLU 62 -3.057 -17.403 -2.505
Start of MODEL 3
1 H PHE 1 1HT PHE 1 4.075 3.872 8.337
2 HA PHE 1 HA PHE 1 4.929 4.221 6.318
3 HB2 PHE 1 2HB PHE 1 4.007 3.112 4.239
4 HB3 PHE 1 1HB PHE 1 4.879 2.014 5.287
5 HD1 PHE 1 2HD PHE 1 3.459 0.469 6.774
6 HD2 PHE 1 1HD PHE 1 1.939 2.689 3.506
7 HE1 PHE 1 2HE PHE 1 1.557 -1.089 6.631
8 HE2 PHE 1 1HE PHE 1 0.016 1.128 3.335
9 HZ PHE 1 HZ PHE 1 -0.167 -0.760 4.902
10 H CYS 2 H CYS 2 3.836 5.190 4.514
11 HA CYS 2 HA CYS 2 3.202 7.158 4.033
12 HB2 CYS 2 2HB CYS 2 0.848 5.623 4.330
13 HB3 CYS 2 1HB CYS 2 0.523 7.356 4.361
14 H GLU 3 H GLU 3 2.634 6.628 7.168
15 HA GLU 3 HA GLU 3 1.575 9.173 7.970
16 HB2 GLU 3 2HB GLU 3 1.498 7.030 9.326
17 HB3 GLU 3 1HB GLU 3 3.195 7.260 9.674
18 HG2 GLU 3 2HG GLU 3 0.977 9.137 10.527
19 HG3 GLU 3 1HG GLU 3 1.689 7.895 11.540
20 H ARG 4 H ARG 4 4.874 7.916 8.455
21 HA ARG 4 HA ARG 4 5.616 10.463 9.307
22 HB2 ARG 4 2HB ARG 4 6.440 8.248 10.267
23 HB3 ARG 4 1HB ARG 4 7.510 8.168 8.873
24 HG2 ARG 4 2HG ARG 4 8.833 9.097 10.562
25 HG3 ARG 4 1HG ARG 4 8.338 10.479 9.586
26 HD2 ARG 4 2HD ARG 4 7.326 9.647 12.312
27 HD3 ARG 4 1HD ARG 4 8.071 11.170 11.847
28 HE ARG 4 HE ARG 4 5.307 10.369 11.583
29 HH11 ARG 4 1HH1 ARG 4 7.714 12.728 10.413
30 HH12 ARG 4 2HH1 ARG 4 6.502 13.801 9.836
31 HH21 ARG 4 1HH2 ARG 4 3.781 11.841 10.823
32 HH22 ARG 4 2HH2 ARG 4 4.273 13.294 10.040
33 H GLU 5 H GLU 5 6.010 8.445 6.546
34 HA GLU 5 HA GLU 5 7.943 9.934 5.266
35 HB2 GLU 5 2HB GLU 5 7.015 8.553 3.334
36 HB3 GLU 5 1HB GLU 5 7.985 7.811 4.672
37 HG2 GLU 5 2HG GLU 5 4.988 7.754 4.587
38 HG3 GLU 5 1HG GLU 5 5.903 6.566 3.670
39 H GLN 6 H GLN 6 4.385 9.848 4.726
40 HA GLN 6 HA GLN 6 4.829 11.882 2.595
41 HB2 GLN 6 2HB GLN 6 2.544 9.932 2.811
42 HB3 GLN 6 1HB GLN 6 2.793 11.102 1.534
43 HG2 GLN 6 2HG GLN 6 4.462 8.716 2.159
44 HG3 GLN 6 1HG GLN 6 3.301 8.909 0.817
45 HE21 GLN 6 1HE2 GLN 6 3.894 10.297 -0.927
46 HE22 GLN 6 2HE2 GLN 6 5.533 10.748 -1.199
47 H GLN 7 H GLN 7 3.783 11.509 5.642
48 HA GLN 7 HA GLN 7 2.568 12.327 6.950
49 HB2 GLN 7 2HB GLN 7 2.293 14.558 4.974
50 HB3 GLN 7 1HB GLN 7 1.493 14.687 6.531
51 HG2 GLN 7 2HG GLN 7 4.349 14.039 6.232
52 HG3 GLN 7 1HG GLN 7 3.826 15.745 6.292
53 HE21 GLN 7 1HE2 GLN 7 1.679 14.736 8.247
54 HE22 GLN 7 2HE2 GLN 7 2.484 14.576 9.754
55 H LEU 8 H LEU 8 1.480 10.685 4.950
56 HA LEU 8 HA LEU 8 -1.491 11.022 4.852
57 HB2 LEU 8 2HB LEU 8 0.487 9.110 3.636
58 HB3 LEU 8 1HB LEU 8 -1.252 8.896 3.524
59 HG LEU 8 HG LEU 8 0.285 11.202 2.502
60 HD11 LEU 8 1HD1 LEU 8 1.016 9.255 1.233
61 HD12 LEU 8 2HD1 LEU 8 -0.167 10.082 0.211
62 HD13 LEU 8 3HD1 LEU 8 -0.638 8.654 1.139
63 HD21 LEU 8 3HD2 LEU 8 -2.029 11.752 2.865
64 HD22 LEU 8 1HD2 LEU 8 -2.543 10.309 1.988
65 HD23 LEU 8 2HD2 LEU 8 -1.745 11.626 1.130
66 H GLU 9 H GLU 9 -2.172 8.656 4.989
67 HA GLU 9 HA GLU 9 -1.001 7.507 7.408
68 HB2 GLU 9 2HB GLU 9 -3.343 8.759 7.696
69 HB3 GLU 9 1HB GLU 9 -3.970 7.301 6.940
70 HG2 GLU 9 2HG GLU 9 -2.185 7.094 9.292
71 HG3 GLU 9 1HG GLU 9 -3.910 7.455 9.560
72 H SER 10 H SER 10 -1.365 5.145 7.384
73 HA SER 10 HA SER 10 -1.081 4.272 4.705
74 HB2 SER 10 2HB SER 10 -0.145 2.380 5.807
75 HB3 SER 10 1HB SER 10 0.369 3.985 6.430
76 HG SER 10 HG SER 10 -1.498 3.477 8.078
77 H CYS 11 H CYS 11 -2.244 2.200 4.044
78 HA CYS 11 HA CYS 11 -4.227 1.074 5.672
79 HB2 CYS 11 2HB CYS 11 -5.478 3.227 4.851
80 HB3 CYS 11 1HB CYS 11 -5.391 2.519 3.250
81 H ALA 12 H ALA 12 -5.716 -0.323 3.894
82 HA ALA 12 HA ALA 12 -3.807 -1.433 1.983
83 HB1 ALA 12 1HB ALA 12 -3.980 -2.947 3.911
84 HB2 ALA 12 2HB ALA 12 -4.745 -3.664 2.492
85 HB3 ALA 12 3HB ALA 12 -5.738 -2.945 3.761
86 H CYS 13 H CYS 13 -4.687 -1.722 -0.022
87 HA CYS 13 HA CYS 13 -7.216 -0.560 -0.539
88 HB2 CYS 13 2HB CYS 13 -5.321 -2.093 -2.325
89 HB3 CYS 13 1HB CYS 13 -6.705 -1.159 -2.863
90 H ASN 14 H ASN 14 -9.101 -1.466 -1.001
91 HA ASN 14 HA ASN 14 -9.734 -4.033 -0.074
92 HB2 ASN 14 2HB ASN 14 -11.265 -2.220 -1.920
93 HB3 ASN 14 1HB ASN 14 -11.950 -3.615 -1.094
94 HD21 ASN 14 1HD2 ASN 14 -12.340 -3.479 1.137
95 HD22 ASN 14 2HD2 ASN 14 -12.320 -1.957 1.960
96 H GLU 15 H GLU 15 -8.639 -2.881 -3.121
97 HA GLU 15 HA GLU 15 -9.636 -4.934 -4.617
98 HB2 GLU 15 2HB GLU 15 -9.053 -2.607 -5.424
99 HB3 GLU 15 1HB GLU 15 -7.365 -3.057 -5.240
100 HG2 GLU 15 2HG GLU 15 -9.219 -4.510 -7.099
101 HG3 GLU 15 1HG GLU 15 -8.287 -3.094 -7.582
102 H THR 16 H THR 16 -8.491 -6.829 -5.231
103 HA THR 16 HA THR 16 -6.905 -8.054 -3.342
104 HB THR 16 HB THR 16 -7.381 -8.729 -6.231
105 HG1 THR 16 1HG THR 16 -8.851 -8.859 -3.979
106 HG21 THR 16 3HG2 THR 16 -6.288 -10.508 -4.013
107 HG22 THR 16 1HG2 THR 16 -5.357 -9.827 -5.356
108 HG23 THR 16 2HG2 THR 16 -6.644 -11.002 -5.671
109 H ASP 17 H ASP 17 -5.914 -6.755 -6.514
110 HA ASP 17 HA ASP 17 -3.314 -7.794 -6.157
111 HB2 ASP 17 2HB ASP 17 -4.457 -7.307 -8.361
112 HB3 ASP 17 1HB ASP 17 -4.104 -5.609 -7.989
113 H ASN 18 H ASN 18 -4.908 -4.665 -5.727
114 HA ASN 18 HA ASN 18 -2.498 -3.282 -5.293
115 HB2 ASN 18 2HB ASN 18 -5.348 -2.489 -5.012
116 HB3 ASN 18 1HB ASN 18 -4.100 -1.476 -4.300
117 HD21 ASN 18 1HD2 ASN 18 -5.325 -2.817 -7.312
118 HD22 ASN 18 2HD2 ASN 18 -4.570 -1.656 -8.336
119 H SER 19 H SER 19 -4.143 -5.302 -3.371
120 HA SER 19 HA SER 19 -3.241 -3.994 -0.979
121 HB2 SER 19 2HB SER 19 -4.045 -6.018 0.321
122 HB3 SER 19 1HB SER 19 -5.267 -5.254 -0.691
123 HG SER 19 HG SER 19 -4.224 -7.088 -2.225
124 H CYS 20 H CYS 20 -1.475 -5.450 -3.236
125 HA CYS 20 HA CYS 20 0.465 -6.431 -1.263
126 HB2 CYS 20 2HB CYS 20 -0.157 -7.744 -3.543
127 HB3 CYS 20 1HB CYS 20 1.055 -6.667 -4.231
128 H LYS 21 H LYS 21 -0.428 -3.569 -2.457
129 HA LYS 21 HA LYS 21 2.279 -2.409 -2.328
130 HB2 LYS 21 2HB LYS 21 -0.012 -1.782 -4.099
131 HB3 LYS 21 1HB LYS 21 1.389 -0.709 -3.920
132 HG2 LYS 21 2HG LYS 21 2.054 -1.740 -5.863
133 HG3 LYS 21 1HG LYS 21 2.566 -3.024 -4.775
134 HD2 LYS 21 2HD LYS 21 1.320 -4.049 -6.539
135 HD3 LYS 21 1HD LYS 21 0.287 -4.063 -5.107
136 HE2 LYS 21 2HE LYS 21 -0.838 -2.006 -5.947
137 HE3 LYS 21 1HE LYS 21 0.163 -2.090 -7.389
138 HZ1 LYS 21 3HZ LYS 21 -2.105 -3.050 -7.653
139 HZ2 LYS 21 1HZ LYS 21 -1.711 -4.224 -6.542
140 HZ3 LYS 21 2HZ LYS 21 -0.939 -4.222 -7.983
141 H VAL 22 H VAL 22 2.341 -0.430 -1.969
142 HA VAL 22 HA VAL 22 1.264 -0.151 0.605
143 HB VAL 22 HB VAL 22 2.932 1.675 -1.074
144 HG11 VAL 22 1HG1 VAL 22 1.752 2.965 0.496
145 HG12 VAL 22 2HG1 VAL 22 3.435 2.824 1.071
146 HG13 VAL 22 3HG1 VAL 22 2.140 1.871 1.825
147 HG21 VAL 22 3HG2 VAL 22 3.636 -0.173 1.218
148 HG22 VAL 22 1HG2 VAL 22 4.773 0.750 0.237
149 HG23 VAL 22 2HG2 VAL 22 3.817 -0.608 -0.454
150 H CYS 23 H CYS 23 -0.582 0.235 0.706
151 HA CYS 23 HA CYS 23 -1.794 2.443 -0.777
152 HB2 CYS 23 2HB CYS 23 -3.201 0.613 1.129
153 HB3 CYS 23 1HB CYS 23 -3.888 1.785 -0.002
154 H CYS 24 H CYS 24 -2.864 4.099 0.258
155 HA CYS 24 HA CYS 24 -2.106 4.530 3.008
156 HB2 CYS 24 2HB CYS 24 -1.628 6.448 0.716
157 HB3 CYS 24 1HB CYS 24 -1.334 6.809 2.411
158 H ARG 25 H ARG 25 -3.302 6.923 3.492
159 HA ARG 25 HA ARG 25 -5.997 6.328 2.569
160 HB2 ARG 25 2HB ARG 25 -5.067 5.888 5.036
161 HB3 ARG 25 1HB ARG 25 -5.532 7.582 5.169
162 HG2 ARG 25 2HG ARG 25 -7.752 6.909 4.161
163 HG3 ARG 25 1HG ARG 25 -7.192 5.247 4.427
164 HD2 ARG 25 2HD ARG 25 -7.373 7.354 6.458
165 HD3 ARG 25 1HD ARG 25 -8.624 6.135 6.199
166 HE ARG 25 HE ARG 25 -5.968 5.676 7.436
167 HH11 ARG 25 1HH1 ARG 25 -8.929 4.170 6.205
168 HH12 ARG 25 2HH1 ARG 25 -8.619 2.675 6.958
169 HH21 ARG 25 1HH2 ARG 25 -5.555 3.814 8.398
170 HH22 ARG 25 2HH2 ARG 25 -6.561 2.423 8.327
171 H ASP 26 H ASP 26 -7.335 8.123 2.573
172 HA ASP 26 HA ASP 26 -5.856 10.541 1.969
173 HB2 ASP 26 2HB ASP 26 -7.130 10.813 0.082
174 HB3 ASP 26 1HB ASP 26 -7.373 9.082 0.256
175 H LEU 27 H LEU 27 -7.574 12.263 2.027
176 HA LEU 27 HA LEU 27 -7.924 12.935 4.664
177 HB2 LEU 27 2HB LEU 27 -9.337 14.322 2.415
178 HB3 LEU 27 1HB LEU 27 -8.846 15.019 3.946
179 HG LEU 27 HG LEU 27 -6.449 14.284 2.962
180 HD11 LEU 27 1HD1 LEU 27 -8.049 14.998 0.522
181 HD12 LEU 27 2HD1 LEU 27 -7.384 13.417 0.878
182 HD13 LEU 27 3HD1 LEU 27 -6.299 14.783 0.592
183 HD21 LEU 27 3HD2 LEU 27 -7.017 16.505 3.803
184 HD22 LEU 27 1HD2 LEU 27 -7.910 16.850 2.321
185 HD23 LEU 27 2HD2 LEU 27 -6.160 16.626 2.266
186 H SER 28 H SER 28 -10.100 11.528 2.343
187 HA SER 28 HA SER 28 -12.404 12.044 3.919
188 HB2 SER 28 2HB SER 28 -12.603 12.276 1.499
189 HB3 SER 28 1HB SER 28 -12.057 10.621 1.268
190 HG SER 28 HG SER 28 -14.028 10.310 2.805
191 H GLY 29 H GLY 29 -9.929 10.016 4.082
192 HA2 GLY 29 2HA GLY 29 -9.547 8.406 5.368
193 HA3 GLY 29 1HA GLY 29 -11.264 8.211 5.782
194 H ARG 30 H ARG 30 -10.405 8.160 2.433
195 HA ARG 30 HA ARG 30 -11.194 5.391 2.244
196 HB2 ARG 30 2HB ARG 30 -10.401 7.418 0.161
197 HB3 ARG 30 1HB ARG 30 -11.102 5.837 -0.157
198 HG2 ARG 30 2HG ARG 30 -13.179 6.456 0.709
199 HG3 ARG 30 1HG ARG 30 -12.511 7.872 1.523
200 HD2 ARG 30 2HD ARG 30 -12.643 7.490 -1.455
201 HD3 ARG 30 1HD ARG 30 -13.791 8.437 -0.495
202 HE ARG 30 HE ARG 30 -11.148 9.287 0.005
203 HH11 ARG 30 1HH1 ARG 30 -13.607 9.467 -2.517
204 HH12 ARG 30 2HH1 ARG 30 -13.128 10.997 -3.106
205 HH21 ARG 30 1HH2 ARG 30 -10.501 11.369 -0.726
206 HH22 ARG 30 2HH2 ARG 30 -11.257 12.138 -2.046
207 H CYS 31 H CYS 31 -9.861 3.791 1.459
208 HA CYS 31 HA CYS 31 -7.041 4.271 1.822
209 HB2 CYS 31 2HB CYS 31 -8.545 1.705 1.279
210 HB3 CYS 31 1HB CYS 31 -6.873 1.843 1.828
211 H VAL 32 H VAL 32 -5.700 4.572 0.158
212 HA VAL 32 HA VAL 32 -6.701 4.046 -2.433
213 HB VAL 32 HB VAL 32 -6.104 6.185 -3.243
214 HG11 VAL 32 1HG1 VAL 32 -7.158 7.890 -1.860
215 HG12 VAL 32 2HG1 VAL 32 -7.114 6.830 -0.475
216 HG13 VAL 32 3HG1 VAL 32 -8.098 6.396 -1.880
217 HG21 VAL 32 3HG2 VAL 32 -4.720 7.854 -1.945
218 HG22 VAL 32 1HG2 VAL 32 -3.914 6.368 -2.474
219 HG23 VAL 32 2HG2 VAL 32 -4.395 6.543 -0.784
220 HA PRO 33 HA PRO 33 -2.421 2.522 -2.624
221 HB2 PRO 33 2HB PRO 33 -1.853 3.038 -5.338
222 HB3 PRO 33 1HB PRO 33 -2.651 1.583 -4.715
223 HG2 PRO 33 2HG PRO 33 -3.814 3.553 -6.350
224 HG3 PRO 33 1HG PRO 33 -4.633 2.207 -5.543
225 HD2 PRO 33 2HD PRO 33 -4.489 5.070 -4.704
226 HD3 PRO 33 1HD PRO 33 -5.740 3.846 -4.385
227 H TYR 34 H TYR 34 -0.261 3.459 -2.164
228 HA TYR 34 HA TYR 34 -0.241 6.256 -2.594
229 HB2 TYR 34 2HB TYR 34 0.810 6.062 -0.719
230 HB3 TYR 34 1HB TYR 34 1.442 4.433 -1.008
231 HD1 TYR 34 1HD TYR 34 2.049 8.005 -2.403
232 HD2 TYR 34 2HD TYR 34 3.752 4.359 -0.915
233 HE1 TYR 34 1HE TYR 34 4.159 8.845 -2.786
234 HE2 TYR 34 2HE TYR 34 5.984 5.328 -1.307
235 HH TYR 34 HH TYR 34 6.362 8.632 -2.352
236 H VAL 35 H VAL 35 0.304 7.334 -4.140
237 HA VAL 35 HA VAL 35 2.632 6.718 -5.637
238 HB VAL 35 HB VAL 35 0.704 8.136 -7.105
239 HG11 VAL 35 1HG1 VAL 35 2.184 5.662 -7.792
240 HG12 VAL 35 2HG1 VAL 35 2.663 7.351 -7.969
241 HG13 VAL 35 3HG1 VAL 35 1.330 6.715 -8.945
242 HG21 VAL 35 3HG2 VAL 35 -0.896 6.374 -7.801
243 HG22 VAL 35 1HG2 VAL 35 -1.011 6.742 -6.076
244 HG23 VAL 35 2HG2 VAL 35 -0.175 5.281 -6.609
245 H ASP 36 H ASP 36 3.682 8.686 -5.715
246 HA ASP 36 HA ASP 36 2.064 11.065 -5.025
247 HB2 ASP 36 2HB ASP 36 4.155 11.978 -4.214
248 HB3 ASP 36 1HB ASP 36 3.665 10.478 -3.402
249 H ALA 37 H ALA 37 3.906 12.707 -5.791
250 HA ALA 37 HA ALA 37 2.054 12.963 -7.780
251 HB1 ALA 37 1HB ALA 37 2.575 14.442 -6.179
252 HB2 ALA 37 2HB ALA 37 2.720 15.261 -7.784
253 HB3 ALA 37 3HB ALA 37 4.180 14.776 -6.829
254 H GLU 38 H GLU 38 5.317 12.074 -7.499
255 HA GLU 38 HA GLU 38 6.094 12.507 -10.066
256 HB2 GLU 38 2HB GLU 38 7.041 10.944 -7.806
257 HB3 GLU 38 1HB GLU 38 8.075 11.182 -9.249
258 HG2 GLU 38 2HG GLU 38 8.874 12.985 -8.070
259 HG3 GLU 38 1HG GLU 38 7.285 13.701 -8.401
260 H GLN 39 H GLN 39 3.810 10.303 -8.691
261 HA GLN 39 HA GLN 39 2.847 8.618 -9.261
262 HB2 GLN 39 2HB GLN 39 4.511 9.152 -11.521
263 HB3 GLN 39 1HB GLN 39 3.439 7.709 -11.630
264 HG2 GLN 39 2HG GLN 39 1.547 9.277 -11.242
265 HG3 GLN 39 1HG GLN 39 2.708 10.600 -11.153
266 HE21 GLN 39 1HE2 GLN 39 4.324 9.559 -13.323
267 HE22 GLN 39 2HE2 GLN 39 3.436 9.853 -14.785
268 H LYS 40 H LYS 40 5.154 8.457 -7.607
269 HA LYS 40 HA LYS 40 6.265 5.907 -8.410
270 HB2 LYS 40 2HB LYS 40 8.007 6.265 -7.123
271 HB3 LYS 40 1HB LYS 40 7.405 7.970 -7.401
272 HG2 LYS 40 2HG LYS 40 6.535 8.087 -5.214
273 HG3 LYS 40 1HG LYS 40 6.865 6.381 -4.912
274 HD2 LYS 40 2HD LYS 40 8.527 7.735 -3.774
275 HD3 LYS 40 1HD LYS 40 9.296 6.850 -5.087
276 HE2 LYS 40 2HE LYS 40 10.121 9.147 -4.989
277 HE3 LYS 40 1HE LYS 40 9.229 8.877 -6.483
278 HZ1 LYS 40 3HZ LYS 40 7.344 10.002 -5.561
279 HZ2 LYS 40 1HZ LYS 40 8.602 11.055 -5.338
280 HZ3 LYS 40 2HZ LYS 40 7.946 10.117 -4.094
281 H ASN 41 H ASN 41 6.104 4.134 -7.210
282 HA ASN 41 HA ASN 41 3.852 4.126 -5.337
283 HB2 ASN 41 2HB ASN 41 3.496 3.197 -7.683
284 HB3 ASN 41 1HB ASN 41 4.749 2.049 -7.227
285 HD21 ASN 41 1HD2 ASN 41 2.149 3.083 -5.036
286 HD22 ASN 41 2HD2 ASN 41 1.386 1.542 -4.957
287 H LEU 42 H LEU 42 4.057 1.735 -4.328
288 HA LEU 42 HA LEU 42 6.798 0.922 -3.784
289 HB2 LEU 42 2HB LEU 42 4.869 1.693 -1.636
290 HB3 LEU 42 1HB LEU 42 6.306 0.752 -1.365
291 HG LEU 42 HG LEU 42 6.181 3.621 -2.220
292 HD11 LEU 42 1HD1 LEU 42 6.921 2.291 0.402
293 HD12 LEU 42 2HD1 LEU 42 5.373 3.021 0.065
294 HD13 LEU 42 3HD1 LEU 42 6.832 4.039 0.121
295 HD21 LEU 42 3HD2 LEU 42 8.602 3.606 -1.725
296 HD22 LEU 42 1HD2 LEU 42 8.211 2.499 -3.042
297 HD23 LEU 42 2HD2 LEU 42 8.523 1.869 -1.425
298 H PHE 43 H PHE 43 6.898 -1.191 -3.369
299 HA PHE 43 HA PHE 43 4.572 -2.705 -3.453
300 HB2 PHE 43 2HB PHE 43 6.303 -3.496 -4.827
301 HB3 PHE 43 1HB PHE 43 7.523 -3.208 -3.601
302 HD1 PHE 43 2HD PHE 43 4.406 -5.243 -3.908
303 HD2 PHE 43 1HD PHE 43 8.512 -5.102 -2.808
304 HE1 PHE 43 2HE PHE 43 4.312 -7.597 -3.242
305 HE2 PHE 43 1HE PHE 43 8.419 -7.465 -2.144
306 HZ PHE 43 HZ PHE 43 6.304 -8.706 -2.355
307 H LEU 44 H LEU 44 3.792 -3.953 -1.559
308 HA LEU 44 HA LEU 44 4.647 -3.129 0.850
309 HB2 LEU 44 2HB LEU 44 2.696 -5.194 -0.024
310 HB3 LEU 44 1HB LEU 44 3.184 -5.176 1.654
311 HG LEU 44 HG LEU 44 1.859 -2.888 0.187
312 HD11 LEU 44 1HD1 LEU 44 0.829 -4.791 2.288
313 HD12 LEU 44 2HD1 LEU 44 0.357 -4.767 0.589
314 HD13 LEU 44 3HD1 LEU 44 -0.043 -3.405 1.636
315 HD21 LEU 44 3HD2 LEU 44 3.363 -2.090 1.955
316 HD22 LEU 44 1HD2 LEU 44 2.610 -3.203 3.095
317 HD23 LEU 44 2HD2 LEU 44 1.678 -1.873 2.413
318 H ARG 45 H ARG 45 4.821 -5.318 2.488
319 HA ARG 45 HA ARG 45 7.272 -6.411 1.583
320 HB2 ARG 45 2HB ARG 45 5.945 -6.054 4.116
321 HB3 ARG 45 1HB ARG 45 7.219 -7.329 3.995
322 HG2 ARG 45 2HG ARG 45 8.148 -5.179 4.899
323 HG3 ARG 45 1HG ARG 45 8.836 -5.563 3.327
324 HD2 ARG 45 2HD ARG 45 7.244 -3.987 2.278
325 HD3 ARG 45 1HD ARG 45 6.607 -3.593 3.870
326 HE ARG 45 HE ARG 45 9.043 -2.936 4.311
327 HH11 ARG 45 1HH1 ARG 45 7.424 -2.491 1.132
328 HH12 ARG 45 2HH1 ARG 45 8.216 -1.069 0.764
329 HH21 ARG 45 1HH2 ARG 45 10.167 -0.903 3.754
330 HH22 ARG 45 2HH2 ARG 45 9.822 -0.128 2.286
331 H LYS 46 H LYS 46 7.749 -8.585 1.919
332 HA LYS 46 HA LYS 46 5.800 -10.276 0.639
333 HB2 LYS 46 2HB LYS 46 8.083 -10.395 -0.106
334 HB3 LYS 46 1HB LYS 46 8.657 -10.708 1.516
335 HG2 LYS 46 2HG LYS 46 7.597 -12.941 1.437
336 HG3 LYS 46 1HG LYS 46 7.063 -12.610 -0.215
337 HD2 LYS 46 2HD LYS 46 9.336 -12.436 -0.986
338 HD3 LYS 46 1HD LYS 46 9.955 -12.513 0.657
339 HE2 LYS 46 2HE LYS 46 10.308 -14.640 -0.462
340 HE3 LYS 46 1HE LYS 46 9.140 -14.836 0.835
341 HZ1 LYS 46 3HZ LYS 46 8.465 -16.017 -1.220
342 HZ2 LYS 46 1HZ LYS 46 8.382 -14.563 -2.051
343 HZ3 LYS 46 2HZ LYS 46 7.356 -14.825 -0.829
344 H GLY 47 H GLY 47 4.503 -11.654 1.383
345 HA2 GLY 47 2HA GLY 47 3.579 -13.309 2.648
346 HA3 GLY 47 1HA GLY 47 5.062 -13.368 3.622
347 H LYS 48 H LYS 48 3.083 -10.560 2.957
348 HA LYS 48 HA LYS 48 2.263 -10.571 5.744
349 HB2 LYS 48 2HB LYS 48 2.767 -8.523 3.698
350 HB3 LYS 48 1HB LYS 48 2.057 -8.057 5.278
351 HG2 LYS 48 2HG LYS 48 4.781 -9.292 4.716
352 HG3 LYS 48 1HG LYS 48 4.488 -7.628 5.218
353 HD2 LYS 48 2HD LYS 48 4.003 -8.231 7.394
354 HD3 LYS 48 1HD LYS 48 3.513 -9.864 6.974
355 HE2 LYS 48 2HE LYS 48 6.340 -8.819 6.874
356 HE3 LYS 48 1HE LYS 48 5.661 -9.784 8.186
357 HZ1 LYS 48 3HZ LYS 48 5.200 -11.542 6.448
358 HZ2 LYS 48 1HZ LYS 48 6.846 -11.261 6.725
359 HZ3 LYS 48 2HZ LYS 48 6.094 -10.651 5.359
360 HA PRO 49 HA PRO 49 -1.803 -11.384 4.391
361 HB2 PRO 49 2HB PRO 49 -3.234 -9.998 6.289
362 HB3 PRO 49 1HB PRO 49 -2.485 -11.582 6.576
363 HG2 PRO 49 2HG PRO 49 -1.497 -8.888 7.329
364 HG3 PRO 49 1HG PRO 49 -1.428 -10.415 8.232
365 HD2 PRO 49 2HD PRO 49 0.715 -9.451 6.948
366 HD3 PRO 49 1HD PRO 49 0.395 -11.192 7.074
367 H CYS 50 H CYS 50 -3.064 -10.602 2.902
368 HA CYS 50 HA CYS 50 -3.639 -7.791 2.756
369 HB2 CYS 50 2HB CYS 50 -3.246 -7.882 0.343
370 HB3 CYS 50 1HB CYS 50 -1.798 -8.347 1.235
371 H THR 51 H THR 51 -5.195 -8.439 0.257
372 HA THR 51 HA THR 51 -7.684 -8.816 1.436
373 HB THR 51 HB THR 51 -8.367 -9.313 -0.985
374 HG1 THR 51 1HG THR 51 -5.824 -8.313 -1.625
375 HG21 THR 51 3HG2 THR 51 -8.479 -7.101 0.104
376 HG22 THR 51 1HG2 THR 51 -8.027 -7.007 -1.614
377 HG23 THR 51 2HG2 THR 51 -6.781 -6.868 -0.369
378 H VAL 52 H VAL 52 -6.323 -10.943 -0.903
379 HA VAL 52 HA VAL 52 -8.082 -13.087 -0.017
380 HB VAL 52 HB VAL 52 -7.461 -14.288 -2.042
381 HG11 VAL 52 1HG1 VAL 52 -9.309 -12.713 -2.122
382 HG12 VAL 52 2HG1 VAL 52 -8.426 -12.666 -3.652
383 HG13 VAL 52 3HG1 VAL 52 -8.190 -11.391 -2.456
384 HG21 VAL 52 3HG2 VAL 52 -5.107 -13.446 -2.190
385 HG22 VAL 52 1HG2 VAL 52 -5.757 -11.894 -2.706
386 HG23 VAL 52 2HG2 VAL 52 -5.991 -13.321 -3.712
387 H GLY 53 H GLY 53 -4.849 -12.349 0.644
388 HA2 GLY 53 2HA GLY 53 -4.435 -14.593 2.103
389 HA3 GLY 53 1HA GLY 53 -3.740 -14.883 0.498
390 H PHE 54 H PHE 54 -1.680 -14.391 0.335
391 HA PHE 54 HA PHE 54 -0.697 -12.288 2.119
392 HB2 PHE 54 2HB PHE 54 0.777 -14.746 1.185
393 HB3 PHE 54 1HB PHE 54 1.523 -13.397 2.046
394 HD1 PHE 54 1HD PHE 54 0.821 -12.905 4.380
395 HD2 PHE 54 2HD PHE 54 -0.434 -16.422 2.341
396 HE1 PHE 54 1HE PHE 54 0.216 -13.927 6.530
397 HE2 PHE 54 2HE PHE 54 -1.045 -17.452 4.489
398 HZ PHE 54 HZ PHE 54 -0.720 -16.204 6.588
399 H CYS 55 H CYS 55 0.821 -10.997 1.421
400 HA CYS 55 HA CYS 55 0.763 -10.340 -1.406
401 HB2 CYS 55 2HB CYS 55 0.488 -8.575 0.292
402 HB3 CYS 55 1HB CYS 55 1.995 -9.106 1.036
403 H ASP 56 H ASP 56 2.324 -11.475 -2.666
404 HA ASP 56 HA ASP 56 4.846 -11.822 -1.192
405 HB2 ASP 56 2HB ASP 56 3.601 -13.924 -2.149
406 HB3 ASP 56 1HB ASP 56 4.328 -13.427 -3.679
407 H MET 57 H MET 57 6.768 -12.173 -3.129
408 HA MET 57 HA MET 57 7.455 -9.572 -3.690
409 HB2 MET 57 2HB MET 57 8.836 -11.534 -3.082
410 HB3 MET 57 1HB MET 57 8.504 -12.205 -4.669
411 HG2 MET 57 2HG MET 57 9.485 -10.343 -5.683
412 HG3 MET 57 1HG MET 57 9.759 -9.642 -4.064
413 HE1 MET 57 3HE MET 57 13.435 -10.663 -5.248
414 HE2 MET 57 1HE MET 57 12.408 -9.335 -4.712
415 HE3 MET 57 2HE MET 57 12.135 -10.079 -6.287
416 H ASN 58 H ASN 58 5.440 -11.647 -5.271
417 HA ASN 58 HA ASN 58 5.920 -10.970 -8.007
418 HB2 ASN 58 2HB ASN 58 5.039 -13.143 -7.228
419 HB3 ASN 58 1HB ASN 58 3.632 -12.340 -6.568
420 HD21 ASN 58 1HD2 ASN 58 2.315 -13.645 -7.721
421 HD22 ASN 58 2HD2 ASN 58 2.076 -13.509 -9.429
422 H GLY 59 H GLY 59 4.259 -9.520 -5.313
423 HA2 GLY 59 2HA GLY 59 2.981 -7.499 -5.158
424 HA3 GLY 59 1HA GLY 59 3.264 -7.290 -6.905
425 H LYS 60 H LYS 60 2.033 -10.053 -5.317
426 HA LYS 60 HA LYS 60 -0.775 -9.491 -5.941
427 HB2 LYS 60 2HB LYS 60 0.813 -11.845 -6.806
428 HB3 LYS 60 1HB LYS 60 -0.925 -11.897 -6.635
429 HG2 LYS 60 2HG LYS 60 -0.722 -11.517 -8.934
430 HG3 LYS 60 1HG LYS 60 -0.910 -9.885 -8.295
431 HD2 LYS 60 2HD LYS 60 1.655 -9.844 -8.219
432 HD3 LYS 60 1HD LYS 60 1.575 -11.255 -9.269
433 HE2 LYS 60 2HE LYS 60 1.854 -9.314 -10.634
434 HE3 LYS 60 1HE LYS 60 0.201 -9.900 -10.846
435 HZ1 LYS 60 3HZ LYS 60 0.906 -7.772 -8.924
436 HZ2 LYS 60 1HZ LYS 60 -0.616 -8.210 -9.400
437 HZ3 LYS 60 2HZ LYS 60 0.362 -7.412 -10.493
438 H CYS 61 H CYS 61 -2.015 -11.016 -5.172
439 HA CYS 61 HA CYS 61 -1.142 -11.672 -2.507
440 HB2 CYS 61 2HB CYS 61 -3.464 -10.582 -3.773
441 HB3 CYS 61 1HB CYS 61 -3.764 -11.565 -2.282
442 H GLU 62 H GLU 62 -0.721 -13.672 -2.470
443 HA GLU 62 HA GLU 62 -2.492 -15.624 -3.520
444 HB2 GLU 62 2HB GLU 62 -0.535 -16.663 -4.680
445 HB3 GLU 62 1HB GLU 62 -0.977 -15.009 -5.165
446 HG2 GLU 62 2HG GLU 62 0.878 -14.142 -3.743
447 HG3 GLU 62 1HG GLU 62 1.451 -15.802 -3.589
Start of MODEL 4
1 H PHE 1 1HT PHE 1 4.437 0.702 6.075
2 HA PHE 1 HA PHE 1 4.669 0.075 3.933
3 HB2 PHE 1 2HB PHE 1 2.636 -0.231 2.501
4 HB3 PHE 1 1HB PHE 1 3.060 -1.612 3.529
5 HD1 PHE 1 2HD PHE 1 1.571 -2.107 5.471
6 HD2 PHE 1 1HD PHE 1 0.616 0.906 2.621
7 HE1 PHE 1 2HE PHE 1 -0.765 -2.136 6.234
8 HE2 PHE 1 1HE PHE 1 -1.724 0.878 3.378
9 HZ PHE 1 HZ PHE 1 -2.417 -0.643 5.185
10 H CYS 2 H CYS 2 2.168 2.052 5.243
11 HA CYS 2 HA CYS 2 3.282 4.189 3.629
12 HB2 CYS 2 2HB CYS 2 1.206 3.444 2.571
13 HB3 CYS 2 1HB CYS 2 0.334 3.763 4.068
14 H GLU 3 H GLU 3 1.750 3.145 6.547
15 HA GLU 3 HA GLU 3 0.946 5.345 7.839
16 HB2 GLU 3 2HB GLU 3 1.664 4.054 9.872
17 HB3 GLU 3 1HB GLU 3 0.336 3.352 8.903
18 HG2 GLU 3 2HG GLU 3 3.271 2.533 8.908
19 HG3 GLU 3 1HG GLU 3 2.062 1.797 9.937
20 H ARG 4 H ARG 4 4.145 3.995 8.172
21 HA ARG 4 HA ARG 4 4.791 6.463 9.417
22 HB2 ARG 4 2HB ARG 4 5.374 4.420 10.646
23 HB3 ARG 4 1HB ARG 4 6.507 3.988 9.377
24 HG2 ARG 4 2HG ARG 4 7.584 4.985 11.390
25 HG3 ARG 4 1HG ARG 4 7.910 5.877 9.902
26 HD2 ARG 4 2HD ARG 4 7.353 7.339 11.866
27 HD3 ARG 4 1HD ARG 4 6.298 7.569 10.476
28 HE ARG 4 HE ARG 4 5.432 5.727 12.549
29 HH11 ARG 4 1HH1 ARG 4 5.125 9.024 11.201
30 HH12 ARG 4 2HH1 ARG 4 3.581 9.302 11.784
31 HH21 ARG 4 1HH2 ARG 4 3.227 6.131 13.397
32 HH22 ARG 4 2HH2 ARG 4 2.468 7.618 13.076
33 H GLU 5 H GLU 5 5.501 4.547 6.667
34 HA GLU 5 HA GLU 5 7.764 5.673 5.664
35 HB2 GLU 5 2HB GLU 5 5.437 4.402 4.235
36 HB3 GLU 5 1HB GLU 5 7.051 4.623 3.575
37 HG2 GLU 5 2HG GLU 5 7.158 2.392 4.286
38 HG3 GLU 5 1HG GLU 5 7.773 3.314 5.686
39 H GLN 6 H GLN 6 4.353 6.645 5.021
40 HA GLN 6 HA GLN 6 5.406 9.098 3.737
41 HB2 GLN 6 2HB GLN 6 2.719 7.755 3.497
42 HB3 GLN 6 1HB GLN 6 3.136 9.300 2.779
43 HG2 GLN 6 2HG GLN 6 4.410 6.679 2.188
44 HG3 GLN 6 1HG GLN 6 3.158 7.514 1.213
45 HE21 GLN 6 1HE2 GLN 6 6.543 7.597 2.215
46 HE22 GLN 6 2HE2 GLN 6 7.018 8.748 1.016
47 H GLN 7 H GLN 7 3.797 7.679 6.325
48 HA GLN 7 HA GLN 7 2.916 8.193 8.003
49 HB2 GLN 7 2HB GLN 7 3.659 11.091 7.590
50 HB3 GLN 7 1HB GLN 7 3.180 10.374 9.134
51 HG2 GLN 7 2HG GLN 7 5.033 8.708 8.769
52 HG3 GLN 7 1HG GLN 7 5.581 9.733 7.474
53 HE21 GLN 7 1HE2 GLN 7 7.511 10.155 8.460
54 HE22 GLN 7 2HE2 GLN 7 7.664 11.197 9.836
55 H LEU 8 H LEU 8 1.663 8.321 5.504
56 HA LEU 8 HA LEU 8 -0.935 9.643 5.848
57 HB2 LEU 8 2HB LEU 8 0.220 7.688 3.886
58 HB3 LEU 8 1HB LEU 8 -1.458 8.189 3.915
59 HG LEU 8 HG LEU 8 0.664 10.188 3.768
60 HD11 LEU 8 1HD1 LEU 8 0.442 10.041 1.204
61 HD12 LEU 8 2HD1 LEU 8 -0.516 8.572 1.442
62 HD13 LEU 8 3HD1 LEU 8 1.187 8.595 1.886
63 HD21 LEU 8 3HD2 LEU 8 -2.158 10.050 2.749
64 HD22 LEU 8 1HD2 LEU 8 -1.079 11.424 2.495
65 HD23 LEU 8 2HD2 LEU 8 -1.563 10.970 4.130
66 H GLU 9 H GLU 9 -2.562 8.634 6.214
67 HA GLU 9 HA GLU 9 -2.263 6.413 8.027
68 HB2 GLU 9 2HB GLU 9 -4.183 8.278 8.009
69 HB3 GLU 9 1HB GLU 9 -4.962 7.107 6.947
70 HG2 GLU 9 2HG GLU 9 -3.883 6.256 9.567
71 HG3 GLU 9 1HG GLU 9 -5.495 7.017 9.511
72 H SER 10 H SER 10 -3.035 4.336 7.636
73 HA SER 10 HA SER 10 -2.312 3.522 5.013
74 HB2 SER 10 2HB SER 10 -2.138 1.428 6.085
75 HB3 SER 10 1HB SER 10 -1.525 2.784 7.112
76 HG SER 10 HG SER 10 -3.760 2.701 8.103
77 H CYS 11 H CYS 11 -3.631 1.936 3.834
78 HA CYS 11 HA CYS 11 -6.027 1.068 4.891
79 HB2 CYS 11 2HB CYS 11 -6.731 3.449 3.892
80 HB3 CYS 11 1HB CYS 11 -6.385 2.643 2.360
81 H ALA 12 H ALA 12 -7.063 -0.210 3.070
82 HA ALA 12 HA ALA 12 -4.938 -1.293 1.397
83 HB1 ALA 12 1HB ALA 12 -5.838 -3.548 1.860
84 HB2 ALA 12 2HB ALA 12 -6.945 -2.839 3.040
85 HB3 ALA 12 3HB ALA 12 -5.205 -2.779 3.317
86 H CYS 13 H CYS 13 -5.609 -1.598 -0.665
87 HA CYS 13 HA CYS 13 -8.129 -0.688 -1.449
88 HB2 CYS 13 2HB CYS 13 -5.993 -2.306 -2.888
89 HB3 CYS 13 1HB CYS 13 -7.312 -1.441 -3.638
90 H ASN 14 H ASN 14 -9.946 -1.646 -1.665
91 HA ASN 14 HA ASN 14 -10.655 -3.930 -0.262
92 HB2 ASN 14 2HB ASN 14 -12.149 -2.054 -1.126
93 HB3 ASN 14 1HB ASN 14 -12.129 -2.852 -2.683
94 HD21 ASN 14 1HD2 ASN 14 -12.379 -5.606 -1.395
95 HD22 ASN 14 2HD2 ASN 14 -14.025 -5.641 -0.864
96 H GLU 15 H GLU 15 -9.450 -3.627 -3.484
97 HA GLU 15 HA GLU 15 -10.262 -6.148 -4.233
98 HB2 GLU 15 2HB GLU 15 -9.972 -4.150 -5.778
99 HB3 GLU 15 1HB GLU 15 -8.240 -4.357 -5.545
100 HG2 GLU 15 2HG GLU 15 -9.984 -6.488 -6.745
101 HG3 GLU 15 1HG GLU 15 -9.157 -5.259 -7.699
102 H THR 16 H THR 16 -8.889 -7.999 -4.199
103 HA THR 16 HA THR 16 -7.108 -8.292 -2.103
104 HB THR 16 HB THR 16 -7.568 -9.976 -4.548
105 HG1 THR 16 1HG THR 16 -8.940 -9.498 -2.295
106 HG21 THR 16 3HG2 THR 16 -6.154 -10.724 -1.957
107 HG22 THR 16 1HG2 THR 16 -5.386 -10.463 -3.529
108 HG23 THR 16 2HG2 THR 16 -6.508 -11.814 -3.298
109 H ASP 17 H ASP 17 -6.368 -8.061 -5.588
110 HA ASP 17 HA ASP 17 -3.657 -8.589 -5.091
111 HB2 ASP 17 2HB ASP 17 -4.682 -9.110 -7.227
112 HB3 ASP 17 1HB ASP 17 -4.997 -7.369 -7.421
113 H ASN 18 H ASN 18 -5.606 -5.697 -5.579
114 HA ASN 18 HA ASN 18 -3.514 -3.894 -5.863
115 HB2 ASN 18 2HB ASN 18 -6.398 -3.615 -5.279
116 HB3 ASN 18 1HB ASN 18 -5.358 -2.235 -5.008
117 HD21 ASN 18 1HD2 ASN 18 -6.431 -4.550 -7.470
118 HD22 ASN 18 2HD2 ASN 18 -6.064 -3.534 -8.812
119 H SER 19 H SER 19 -4.549 -5.478 -3.212
120 HA SER 19 HA SER 19 -3.614 -3.416 -1.431
121 HB2 SER 19 2HB SER 19 -3.853 -5.014 0.483
122 HB3 SER 19 1HB SER 19 -5.309 -4.829 -0.492
123 HG SER 19 HG SER 19 -4.234 -6.854 -1.597
124 H CYS 20 H CYS 20 -2.002 -5.517 -3.359
125 HA CYS 20 HA CYS 20 0.420 -5.509 -1.759
126 HB2 CYS 20 2HB CYS 20 -0.354 -6.697 -4.362
127 HB3 CYS 20 1HB CYS 20 1.354 -6.486 -3.989
128 H LYS 21 H LYS 21 -1.145 -3.343 -3.525
129 HA LYS 21 HA LYS 21 1.278 -1.789 -3.908
130 HB2 LYS 21 2HB LYS 21 -1.431 -1.868 -5.285
131 HB3 LYS 21 1HB LYS 21 -0.418 -0.435 -5.293
132 HG2 LYS 21 2HG LYS 21 -0.221 -1.656 -7.374
133 HG3 LYS 21 1HG LYS 21 1.305 -1.616 -6.477
134 HD2 LYS 21 2HD LYS 21 1.117 -3.796 -7.478
135 HD3 LYS 21 1HD LYS 21 0.809 -3.990 -5.760
136 HE2 LYS 21 2HE LYS 21 -1.558 -4.164 -6.163
137 HE3 LYS 21 1HE LYS 21 -1.344 -3.798 -7.878
138 HZ1 LYS 21 3HZ LYS 21 -0.525 -6.349 -6.473
139 HZ2 LYS 21 1HZ LYS 21 -0.025 -5.957 -8.033
140 HZ3 LYS 21 2HZ LYS 21 -1.611 -6.132 -7.679
141 H VAL 22 H VAL 22 1.455 -0.062 -3.118
142 HA VAL 22 HA VAL 22 0.408 -0.215 -0.532
143 HB VAL 22 HB VAL 22 2.280 1.708 -1.840
144 HG11 VAL 22 1HG1 VAL 22 1.392 1.471 1.026
145 HG12 VAL 22 2HG1 VAL 22 1.144 2.809 -0.114
146 HG13 VAL 22 3HG1 VAL 22 2.789 2.437 0.460
147 HG21 VAL 22 3HG2 VAL 22 2.589 -0.659 0.010
148 HG22 VAL 22 1HG2 VAL 22 3.943 0.336 -0.516
149 HG23 VAL 22 2HG2 VAL 22 3.001 -0.644 -1.678
150 H CYS 23 H CYS 23 -1.430 0.257 -0.344
151 HA CYS 23 HA CYS 23 -2.539 2.734 -1.436
152 HB2 CYS 23 2HB CYS 23 -4.087 1.116 0.512
153 HB3 CYS 23 1HB CYS 23 -4.567 2.101 -0.886
154 H CYS 24 H CYS 24 -3.150 4.491 -0.212
155 HA CYS 24 HA CYS 24 -2.475 4.490 2.635
156 HB2 CYS 24 2HB CYS 24 -2.050 6.694 0.592
157 HB3 CYS 24 1HB CYS 24 -1.697 6.820 2.305
158 H ARG 25 H ARG 25 -3.702 6.756 3.449
159 HA ARG 25 HA ARG 25 -6.270 6.662 2.091
160 HB2 ARG 25 2HB ARG 25 -5.900 5.731 4.523
161 HB3 ARG 25 1HB ARG 25 -5.936 7.448 4.919
162 HG2 ARG 25 2HG ARG 25 -8.073 7.542 3.516
163 HG3 ARG 25 1HG ARG 25 -8.001 5.774 3.642
164 HD2 ARG 25 2HD ARG 25 -7.994 7.663 5.899
165 HD3 ARG 25 1HD ARG 25 -9.441 6.859 5.285
166 HE ARG 25 HE ARG 25 -7.310 5.633 6.890
167 HH11 ARG 25 1HH1 ARG 25 -10.115 4.979 4.815
168 HH12 ARG 25 2HH1 ARG 25 -10.266 3.369 5.347
169 HH21 ARG 25 1HH2 ARG 25 -7.486 3.667 7.579
170 HH22 ARG 25 2HH2 ARG 25 -8.673 2.524 7.073
171 H ASP 26 H ASP 26 -7.340 8.633 2.090
172 HA ASP 26 HA ASP 26 -5.498 10.867 2.214
173 HB2 ASP 26 2HB ASP 26 -6.203 11.568 0.113
174 HB3 ASP 26 1HB ASP 26 -6.376 9.808 0.013
175 H LEU 27 H LEU 27 -7.031 12.754 1.907
176 HA LEU 27 HA LEU 27 -7.985 13.341 4.400
177 HB2 LEU 27 2HB LEU 27 -8.763 14.928 1.982
178 HB3 LEU 27 1HB LEU 27 -8.555 15.511 3.619
179 HG LEU 27 HG LEU 27 -6.059 14.655 3.126
180 HD11 LEU 27 1HD1 LEU 27 -5.375 15.173 0.861
181 HD12 LEU 27 2HD1 LEU 27 -7.037 15.559 0.437
182 HD13 LEU 27 3HD1 LEU 27 -6.611 13.907 0.838
183 HD21 LEU 27 3HD2 LEU 27 -7.199 17.322 2.281
184 HD22 LEU 27 1HD2 LEU 27 -5.494 16.989 2.585
185 HD23 LEU 27 2HD2 LEU 27 -6.661 16.887 3.903
186 H SER 28 H SER 28 -9.634 12.103 1.628
187 HA SER 28 HA SER 28 -12.211 12.899 2.501
188 HB2 SER 28 2HB SER 28 -11.679 12.923 0.106
189 HB3 SER 28 1HB SER 28 -11.329 11.201 0.150
190 HG SER 28 HG SER 28 -13.674 11.278 1.079
191 H GLY 29 H GLY 29 -10.068 10.606 3.382
192 HA2 GLY 29 2HA GLY 29 -10.183 8.985 4.693
193 HA3 GLY 29 1HA GLY 29 -11.968 8.979 4.708
194 H ARG 30 H ARG 30 -10.844 8.980 1.619
195 HA ARG 30 HA ARG 30 -11.642 6.376 0.989
196 HB2 ARG 30 2HB ARG 30 -12.289 8.112 -0.335
197 HB3 ARG 30 1HB ARG 30 -10.746 8.911 -0.221
198 HG2 ARG 30 2HG ARG 30 -9.832 7.153 -1.711
199 HG3 ARG 30 1HG ARG 30 -11.502 6.580 -1.926
200 HD2 ARG 30 2HD ARG 30 -10.999 8.239 -3.675
201 HD3 ARG 30 1HD ARG 30 -12.189 8.774 -2.450
202 HE ARG 30 HE ARG 30 -9.791 9.679 -1.520
203 HH11 ARG 30 1HH1 ARG 30 -11.640 10.255 -4.463
204 HH12 ARG 30 2HH1 ARG 30 -11.293 11.927 -4.546
205 HH21 ARG 30 1HH2 ARG 30 -9.354 11.928 -1.548
206 HH22 ARG 30 2HH2 ARG 30 -9.905 12.928 -2.805
207 H CYS 31 H CYS 31 -10.314 4.799 0.181
208 HA CYS 31 HA CYS 31 -7.536 4.900 0.970
209 HB2 CYS 31 2HB CYS 31 -9.162 2.637 -0.176
210 HB3 CYS 31 1HB CYS 31 -7.640 2.506 0.709
211 H VAL 32 H VAL 32 -5.917 5.117 -0.496
212 HA VAL 32 HA VAL 32 -6.630 4.979 -3.214
213 HB VAL 32 HB VAL 32 -5.037 7.044 -3.517
214 HG11 VAL 32 1HG1 VAL 32 -7.318 6.958 -4.151
215 HG12 VAL 32 2HG1 VAL 32 -6.979 8.530 -3.395
216 HG13 VAL 32 3HG1 VAL 32 -7.865 7.279 -2.501
217 HG21 VAL 32 3HG2 VAL 32 -4.427 7.063 -1.102
218 HG22 VAL 32 1HG2 VAL 32 -6.071 7.532 -0.706
219 HG23 VAL 32 2HG2 VAL 32 -5.069 8.628 -1.651
220 HA PRO 33 HA PRO 33 -2.668 2.919 -3.505
221 HB2 PRO 33 2HB PRO 33 -2.152 3.446 -6.157
222 HB3 PRO 33 1HB PRO 33 -3.290 2.186 -5.639
223 HG2 PRO 33 2HG PRO 33 -3.870 4.933 -6.610
224 HG3 PRO 33 1HG PRO 33 -4.729 3.413 -6.934
225 HD2 PRO 33 2HD PRO 33 -5.661 5.219 -5.127
226 HD3 PRO 33 1HD PRO 33 -5.878 3.469 -4.945
227 H TYR 34 H TYR 34 -0.734 3.783 -2.780
228 HA TYR 34 HA TYR 34 -0.385 6.551 -2.962
229 HB2 TYR 34 2HB TYR 34 0.562 6.022 -1.083
230 HB3 TYR 34 1HB TYR 34 0.977 4.371 -1.554
231 HD1 TYR 34 1HD TYR 34 2.159 8.015 -2.217
232 HD2 TYR 34 2HD TYR 34 3.267 3.868 -1.659
233 HE1 TYR 34 1HE TYR 34 4.376 8.569 -2.397
234 HE2 TYR 34 2HE TYR 34 5.524 4.493 -1.833
235 HH TYR 34 HH TYR 34 6.494 7.928 -2.089
236 H VAL 35 H VAL 35 0.461 7.823 -4.242
237 HA VAL 35 HA VAL 35 2.852 7.261 -5.642
238 HB VAL 35 HB VAL 35 1.151 9.183 -6.896
239 HG11 VAL 35 1HG1 VAL 35 2.643 6.933 -8.089
240 HG12 VAL 35 2HG1 VAL 35 3.166 8.582 -7.733
241 HG13 VAL 35 3HG1 VAL 35 1.925 8.308 -8.959
242 HG21 VAL 35 3HG2 VAL 35 -0.448 7.784 -8.120
243 HG22 VAL 35 1HG2 VAL 35 -0.662 7.622 -6.373
244 HG23 VAL 35 2HG2 VAL 35 0.159 6.345 -7.280
245 H ASP 36 H ASP 36 3.988 9.095 -5.108
246 HA ASP 36 HA ASP 36 2.517 11.339 -3.853
247 HB2 ASP 36 2HB ASP 36 4.674 11.990 -3.010
248 HB3 ASP 36 1HB ASP 36 4.263 10.334 -2.551
249 H ALA 37 H ALA 37 4.118 13.166 -4.191
250 HA ALA 37 HA ALA 37 2.328 13.809 -6.130
251 HB1 ALA 37 1HB ALA 37 2.838 16.105 -5.511
252 HB2 ALA 37 2HB ALA 37 4.305 15.457 -4.703
253 HB3 ALA 37 3HB ALA 37 2.700 14.909 -4.174
254 H GLU 38 H GLU 38 5.628 13.089 -5.941
255 HA GLU 38 HA GLU 38 6.420 14.206 -8.303
256 HB2 GLU 38 2HB GLU 38 7.493 12.337 -6.378
257 HB3 GLU 38 1HB GLU 38 8.533 12.998 -7.675
258 HG2 GLU 38 2HG GLU 38 9.033 14.666 -6.153
259 HG3 GLU 38 1HG GLU 38 7.343 15.155 -6.379
260 H GLN 39 H GLN 39 4.346 11.615 -7.640
261 HA GLN 39 HA GLN 39 3.546 10.063 -8.683
262 HB2 GLN 39 2HB GLN 39 5.371 11.186 -10.571
263 HB3 GLN 39 1HB GLN 39 4.428 9.754 -11.123
264 HG2 GLN 39 2HG GLN 39 3.422 12.360 -10.020
265 HG3 GLN 39 1HG GLN 39 3.449 12.007 -11.764
266 HE21 GLN 39 1HE2 GLN 39 1.975 10.422 -12.521
267 HE22 GLN 39 2HE2 GLN 39 0.563 10.009 -11.594
268 H LYS 40 H LYS 40 5.876 9.604 -6.890
269 HA LYS 40 HA LYS 40 7.270 7.411 -8.081
270 HB2 LYS 40 2HB LYS 40 6.910 8.200 -5.252
271 HB3 LYS 40 1HB LYS 40 8.053 6.969 -5.858
272 HG2 LYS 40 2HG LYS 40 9.114 8.784 -7.115
273 HG3 LYS 40 1HG LYS 40 8.029 9.926 -6.279
274 HD2 LYS 40 2HD LYS 40 9.024 8.551 -4.165
275 HD3 LYS 40 1HD LYS 40 10.412 8.480 -5.252
276 HE2 LYS 40 2HE LYS 40 10.624 10.412 -3.834
277 HE3 LYS 40 1HE LYS 40 10.282 10.950 -5.480
278 HZ1 LYS 40 3HZ LYS 40 8.846 12.179 -3.900
279 HZ2 LYS 40 1HZ LYS 40 8.248 10.716 -3.310
280 HZ3 LYS 40 2HZ LYS 40 7.913 11.132 -4.822
281 H ASN 41 H ASN 41 6.810 5.398 -7.798
282 HA ASN 41 HA ASN 41 4.171 4.815 -6.692
283 HB2 ASN 41 2HB ASN 41 5.663 3.848 -9.027
284 HB3 ASN 41 1HB ASN 41 4.422 2.788 -8.308
285 HD21 ASN 41 1HD2 ASN 41 5.025 5.816 -10.047
286 HD22 ASN 41 2HD2 ASN 41 3.381 6.067 -10.489
287 H LEU 42 H LEU 42 3.973 2.975 -5.478
288 HA LEU 42 HA LEU 42 6.424 1.586 -4.832
289 HB2 LEU 42 2HB LEU 42 6.462 3.153 -3.134
290 HB3 LEU 42 1HB LEU 42 4.716 3.148 -2.988
291 HG LEU 42 HG LEU 42 4.723 1.180 -1.958
292 HD11 LEU 42 1HD1 LEU 42 6.872 0.053 -1.061
293 HD12 LEU 42 2HD1 LEU 42 7.794 1.215 -2.019
294 HD13 LEU 42 3HD1 LEU 42 6.761 0.028 -2.821
295 HD21 LEU 42 3HD2 LEU 42 5.854 1.714 0.231
296 HD22 LEU 42 1HD2 LEU 42 4.762 2.894 -0.478
297 HD23 LEU 42 2HD2 LEU 42 6.522 3.134 -0.588
298 H PHE 43 H PHE 43 6.228 -0.386 -5.078
299 HA PHE 43 HA PHE 43 3.764 -1.743 -5.099
300 HB2 PHE 43 2HB PHE 43 5.520 -1.638 -6.921
301 HB3 PHE 43 1HB PHE 43 6.562 -2.549 -5.858
302 HD1 PHE 43 2HD PHE 43 3.513 -2.635 -7.886
303 HD2 PHE 43 1HD PHE 43 6.348 -4.916 -5.696
304 HE1 PHE 43 2HE PHE 43 2.665 -4.683 -8.941
305 HE2 PHE 43 1HE PHE 43 5.515 -6.969 -6.754
306 HZ PHE 43 HZ PHE 43 3.668 -6.850 -8.387
307 H LEU 44 H LEU 44 3.373 -3.199 -3.227
308 HA LEU 44 HA LEU 44 4.890 -2.852 -1.108
309 HB2 LEU 44 2HB LEU 44 2.413 -3.683 -1.268
310 HB3 LEU 44 1HB LEU 44 3.242 -5.238 -1.408
311 HG LEU 44 HG LEU 44 3.997 -5.262 0.780
312 HD11 LEU 44 1HD1 LEU 44 4.706 -2.926 0.976
313 HD12 LEU 44 2HD1 LEU 44 3.708 -3.416 2.341
314 HD13 LEU 44 3HD1 LEU 44 3.017 -2.423 1.059
315 HD21 LEU 44 3HD2 LEU 44 1.190 -4.165 0.737
316 HD22 LEU 44 1HD2 LEU 44 1.913 -5.075 2.063
317 HD23 LEU 44 2HD2 LEU 44 1.656 -5.847 0.499
318 H ARG 45 H ARG 45 5.649 -5.013 0.163
319 HA ARG 45 HA ARG 45 7.332 -6.516 -1.612
320 HB2 ARG 45 2HB ARG 45 7.835 -4.741 0.320
321 HB3 ARG 45 1HB ARG 45 8.250 -6.286 1.059
322 HG2 ARG 45 2HG ARG 45 10.316 -5.433 0.035
323 HG3 ARG 45 1HG ARG 45 9.757 -6.847 -0.842
324 HD2 ARG 45 2HD ARG 45 9.404 -3.959 -1.716
325 HD3 ARG 45 1HD ARG 45 10.594 -5.083 -2.361
326 HE ARG 45 HE ARG 45 7.686 -5.163 -2.766
327 HH11 ARG 45 1HH1 ARG 45 10.891 -6.253 -3.837
328 HH12 ARG 45 2HH1 ARG 45 10.290 -7.105 -5.179
329 HH21 ARG 45 1HH2 ARG 45 6.880 -6.311 -4.502
330 HH22 ARG 45 2HH2 ARG 45 7.859 -7.176 -5.582
331 H LYS 46 H LYS 46 8.357 -8.366 -0.219
332 HA LYS 46 HA LYS 46 6.285 -10.309 0.023
333 HB2 LYS 46 2HB LYS 46 8.467 -10.679 -1.063
334 HB3 LYS 46 1HB LYS 46 9.254 -10.530 0.491
335 HG2 LYS 46 2HG LYS 46 8.030 -12.559 1.249
336 HG3 LYS 46 1HG LYS 46 7.370 -12.724 -0.383
337 HD2 LYS 46 2HD LYS 46 9.680 -12.814 -1.276
338 HD3 LYS 46 1HD LYS 46 10.299 -12.736 0.369
339 HE2 LYS 46 2HE LYS 46 10.366 -15.022 -0.329
340 HE3 LYS 46 1HE LYS 46 9.064 -14.865 0.845
341 HZ1 LYS 46 3HZ LYS 46 8.623 -14.835 -2.099
342 HZ2 LYS 46 1HZ LYS 46 7.454 -14.895 -0.945
343 HZ3 LYS 46 2HZ LYS 46 8.427 -16.220 -1.156
344 H GLY 47 H GLY 47 5.160 -10.697 1.681
345 HA2 GLY 47 2HA GLY 47 4.737 -11.590 3.730
346 HA3 GLY 47 1HA GLY 47 6.406 -11.255 4.249
347 H LYS 48 H LYS 48 4.484 -8.804 2.726
348 HA LYS 48 HA LYS 48 4.094 -7.644 5.346
349 HB2 LYS 48 2HB LYS 48 4.477 -6.644 2.668
350 HB3 LYS 48 1HB LYS 48 3.221 -5.754 3.537
351 HG2 LYS 48 2HG LYS 48 4.959 -4.463 4.260
352 HG3 LYS 48 1HG LYS 48 5.232 -5.772 5.390
353 HD2 LYS 48 2HD LYS 48 6.622 -5.432 2.721
354 HD3 LYS 48 1HD LYS 48 7.295 -4.972 4.275
355 HE2 LYS 48 2HE LYS 48 6.597 -7.762 3.370
356 HE3 LYS 48 1HE LYS 48 8.214 -7.079 3.472
357 HZ1 LYS 48 3HZ LYS 48 6.386 -7.757 5.724
358 HZ2 LYS 48 1HZ LYS 48 7.847 -6.891 5.933
359 HZ3 LYS 48 2HZ LYS 48 7.835 -8.461 5.309
360 HA PRO 49 HA PRO 49 -0.121 -8.943 5.258
361 HB2 PRO 49 2HB PRO 49 -0.843 -6.452 6.666
362 HB3 PRO 49 1HB PRO 49 -0.992 -8.132 7.220
363 HG2 PRO 49 2HG PRO 49 0.816 -6.515 8.274
364 HG3 PRO 49 1HG PRO 49 1.154 -8.238 7.992
365 HD2 PRO 49 2HD PRO 49 2.038 -5.872 6.401
366 HD3 PRO 49 1HD PRO 49 2.930 -7.336 6.870
367 H CYS 50 H CYS 50 -1.822 -8.732 3.952
368 HA CYS 50 HA CYS 50 -2.515 -6.181 2.873
369 HB2 CYS 50 2HB CYS 50 -2.589 -7.085 0.613
370 HB3 CYS 50 1HB CYS 50 -0.996 -7.366 1.318
371 H THR 51 H THR 51 -4.581 -7.435 1.190
372 HA THR 51 HA THR 51 -6.735 -7.504 2.931
373 HB THR 51 HB THR 51 -7.841 -8.772 0.969
374 HG1 THR 51 1HG THR 51 -5.563 -7.909 -0.453
375 HG21 THR 51 3HG2 THR 51 -6.489 -6.145 0.583
376 HG22 THR 51 1HG2 THR 51 -8.068 -6.374 1.350
377 HG23 THR 51 2HG2 THR 51 -7.849 -6.742 -0.382
378 H VAL 52 H VAL 52 -5.684 -10.189 1.083
379 HA VAL 52 HA VAL 52 -7.133 -12.046 2.767
380 HB VAL 52 HB VAL 52 -6.643 -13.759 1.096
381 HG11 VAL 52 1HG1 VAL 52 -7.609 -11.125 -0.007
382 HG12 VAL 52 2HG1 VAL 52 -8.595 -12.350 0.797
383 HG13 VAL 52 3HG1 VAL 52 -7.865 -12.689 -0.776
384 HG21 VAL 52 3HG2 VAL 52 -4.390 -12.933 0.441
385 HG22 VAL 52 1HG2 VAL 52 -5.157 -11.587 -0.393
386 HG23 VAL 52 2HG2 VAL 52 -5.430 -13.228 -0.955
387 H GLY 53 H GLY 53 -4.081 -10.926 3.185
388 HA2 GLY 53 2HA GLY 53 -3.282 -12.453 5.113
389 HA3 GLY 53 1HA GLY 53 -2.857 -13.477 3.733
390 H PHE 54 H PHE 54 -0.857 -13.208 2.961
391 HA PHE 54 HA PHE 54 0.398 -10.631 3.505
392 HB2 PHE 54 2HB PHE 54 1.720 -13.355 3.372
393 HB3 PHE 54 1HB PHE 54 2.607 -11.837 3.443
394 HD1 PHE 54 2HD PHE 54 2.434 -10.409 5.456
395 HD2 PHE 54 1HD PHE 54 0.794 -14.334 5.325
396 HE1 PHE 54 2HE PHE 54 2.332 -10.441 7.911
397 HE2 PHE 54 1HE PHE 54 0.687 -14.372 7.784
398 HZ PHE 54 HZ PHE 54 1.459 -12.425 9.079
399 H CYS 55 H CYS 55 1.769 -9.869 2.036
400 HA CYS 55 HA CYS 55 1.054 -10.456 -0.730
401 HB2 CYS 55 2HB CYS 55 0.994 -8.153 0.241
402 HB3 CYS 55 1HB CYS 55 2.742 -8.320 0.478
403 H ASP 56 H ASP 56 2.603 -11.318 -2.125
404 HA ASP 56 HA ASP 56 5.195 -11.839 -0.853
405 HB2 ASP 56 2HB ASP 56 3.794 -13.681 -2.110
406 HB3 ASP 56 1HB ASP 56 4.490 -12.951 -3.559
407 H MET 57 H MET 57 6.993 -11.928 -2.987
408 HA MET 57 HA MET 57 7.449 -9.208 -3.397
409 HB2 MET 57 2HB MET 57 9.196 -10.829 -2.885
410 HB3 MET 57 1HB MET 57 8.753 -11.768 -4.301
411 HG2 MET 57 2HG MET 57 9.352 -10.125 -5.690
412 HG3 MET 57 1HG MET 57 9.625 -8.972 -4.365
413 HE1 MET 57 3HE MET 57 10.684 -12.795 -4.674
414 HE2 MET 57 1HE MET 57 12.330 -12.641 -5.287
415 HE3 MET 57 2HE MET 57 10.966 -12.134 -6.285
416 H ASN 58 H ASN 58 5.807 -11.699 -4.933
417 HA ASN 58 HA ASN 58 5.894 -11.005 -7.667
418 HB2 ASN 58 2HB ASN 58 5.087 -13.176 -6.906
419 HB3 ASN 58 1HB ASN 58 3.793 -12.419 -6.002
420 HD21 ASN 58 1HD2 ASN 58 4.662 -11.464 -9.311
421 HD22 ASN 58 2HD2 ASN 58 3.213 -12.072 -10.012
422 H GLY 59 H GLY 59 4.139 -9.731 -4.914
423 HA2 GLY 59 2HA GLY 59 3.003 -7.678 -4.826
424 HA3 GLY 59 1HA GLY 59 3.046 -7.622 -6.586
425 H LYS 60 H LYS 60 2.079 -10.363 -4.807
426 HA LYS 60 HA LYS 60 -0.848 -9.968 -5.092
427 HB2 LYS 60 2HB LYS 60 0.336 -11.435 -7.029
428 HB3 LYS 60 1HB LYS 60 0.551 -12.469 -5.603
429 HG2 LYS 60 2HG LYS 60 -1.842 -12.596 -5.262
430 HG3 LYS 60 1HG LYS 60 -2.114 -11.579 -6.677
431 HD2 LYS 60 2HD LYS 60 -2.458 -13.897 -7.284
432 HD3 LYS 60 1HD LYS 60 -1.001 -13.302 -8.078
433 HE2 LYS 60 2HE LYS 60 -0.605 -15.532 -7.197
434 HE3 LYS 60 1HE LYS 60 0.371 -14.375 -6.305
435 HZ1 LYS 60 3HZ LYS 60 -2.076 -15.804 -5.319
436 HZ2 LYS 60 1HZ LYS 60 -1.499 -14.442 -4.558
437 HZ3 LYS 60 2HZ LYS 60 -0.576 -15.754 -4.649
438 H CYS 61 H CYS 61 -1.832 -11.158 -3.866
439 HA CYS 61 HA CYS 61 -0.532 -11.657 -1.312
440 HB2 CYS 61 2HB CYS 61 -3.119 -11.066 -2.439
441 HB3 CYS 61 1HB CYS 61 -3.093 -11.662 -0.731
442 H GLU 62 H GLU 62 -0.781 -13.716 -0.342
443 HA GLU 62 HA GLU 62 -0.396 -15.892 -0.513
444 HB2 GLU 62 2HB GLU 62 -3.224 -15.362 -0.972
445 HB3 GLU 62 1HB GLU 62 -2.697 -16.991 -0.434
446 HG2 GLU 62 2HG GLU 62 -2.766 -14.311 0.984
447 HG3 GLU 62 1HG GLU 62 -3.590 -15.791 1.452
Start of MODEL 5
1 H PHE 1 1HT PHE 1 7.588 5.826 3.770
2 HA PHE 1 HA PHE 1 5.646 4.972 1.775
3 HB2 PHE 1 2HB PHE 1 5.911 3.820 4.584
4 HB3 PHE 1 1HB PHE 1 4.611 3.516 3.424
5 HD1 PHE 1 1HD PHE 1 8.181 2.920 4.086
6 HD2 PHE 1 2HD PHE 1 4.759 2.085 1.807
7 HE1 PHE 1 1HE PHE 1 9.358 0.967 3.147
8 HE2 PHE 1 2HE PHE 1 5.920 0.057 0.808
9 HZ PHE 1 HZ PHE 1 8.216 -0.467 1.498
10 H CYS 2 H CYS 2 3.437 4.891 3.185
11 HA CYS 2 HA CYS 2 2.483 7.419 3.025
12 HB2 CYS 2 2HB CYS 2 1.492 5.316 4.938
13 HB3 CYS 2 1HB CYS 2 0.573 6.711 4.381
14 H GLU 3 H GLU 3 3.675 6.012 6.073
15 HA GLU 3 HA GLU 3 3.008 8.101 7.786
16 HB2 GLU 3 2HB GLU 3 3.788 5.816 8.465
17 HB3 GLU 3 1HB GLU 3 5.407 6.245 7.974
18 HG2 GLU 3 2HG GLU 3 3.876 7.561 10.235
19 HG3 GLU 3 1HG GLU 3 5.046 6.269 10.437
20 H ARG 4 H ARG 4 6.268 7.461 6.555
21 HA ARG 4 HA ARG 4 7.201 9.877 7.485
22 HB2 ARG 4 2HB ARG 4 8.489 7.726 7.142
23 HB3 ARG 4 1HB ARG 4 8.615 8.180 5.449
24 HG2 ARG 4 2HG ARG 4 10.611 8.950 6.335
25 HG3 ARG 4 1HG ARG 4 9.583 10.383 6.335
26 HD2 ARG 4 2HD ARG 4 10.339 8.642 8.693
27 HD3 ARG 4 1HD ARG 4 10.706 10.344 8.454
28 HE ARG 4 HE ARG 4 8.158 9.155 9.270
29 HH11 ARG 4 1HH1 ARG 4 9.954 12.145 8.593
30 HH12 ARG 4 2HH1 ARG 4 8.800 13.145 9.372
31 HH21 ARG 4 1HH2 ARG 4 6.683 10.468 10.281
32 HH22 ARG 4 2HH2 ARG 4 6.816 12.164 10.337
33 H GLU 5 H GLU 5 5.617 9.127 4.566
34 HA GLU 5 HA GLU 5 6.913 11.330 3.161
35 HB2 GLU 5 2HB GLU 5 5.105 9.199 2.044
36 HB3 GLU 5 1HB GLU 5 5.988 10.395 1.095
37 HG2 GLU 5 2HG GLU 5 8.138 9.342 2.129
38 HG3 GLU 5 1HG GLU 5 7.021 8.079 2.675
39 H GLN 6 H GLN 6 3.634 10.382 4.306
40 HA GLN 6 HA GLN 6 2.634 12.955 3.199
41 HB2 GLN 6 2HB GLN 6 1.101 10.388 3.563
42 HB3 GLN 6 1HB GLN 6 0.492 11.883 2.883
43 HG2 GLN 6 2HG GLN 6 2.623 10.150 1.712
44 HG3 GLN 6 1HG GLN 6 0.903 10.190 1.247
45 HE21 GLN 6 1HE2 GLN 6 3.362 10.791 -0.313
46 HE22 GLN 6 2HE2 GLN 6 3.182 12.361 -0.938
47 H GLN 7 H GLN 7 3.382 11.218 5.876
48 HA GLN 7 HA GLN 7 2.827 10.918 7.807
49 HB2 GLN 7 2HB GLN 7 1.587 13.664 7.611
50 HB3 GLN 7 1HB GLN 7 1.731 12.824 9.150
51 HG2 GLN 7 2HG GLN 7 4.073 13.238 7.366
52 HG3 GLN 7 1HG GLN 7 3.577 14.506 8.493
53 HE21 GLN 7 1HE2 GLN 7 3.351 11.079 9.303
54 HE22 GLN 7 2HE2 GLN 7 4.646 10.994 10.388
55 H LEU 8 H LEU 8 1.044 10.025 5.842
56 HA LEU 8 HA LEU 8 -1.569 9.596 7.173
57 HB2 LEU 8 2HB LEU 8 -0.482 8.701 4.517
58 HB3 LEU 8 1HB LEU 8 -2.094 8.386 5.132
59 HG LEU 8 HG LEU 8 -0.960 11.029 4.745
60 HD11 LEU 8 1HD1 LEU 8 -2.419 11.089 2.600
61 HD12 LEU 8 2HD1 LEU 8 -2.650 9.348 2.829
62 HD13 LEU 8 3HD1 LEU 8 -1.039 9.999 2.520
63 HD21 LEU 8 3HD2 LEU 8 -3.796 10.122 5.140
64 HD22 LEU 8 1HD2 LEU 8 -3.361 11.777 4.708
65 HD23 LEU 8 2HD2 LEU 8 -2.804 11.088 6.230
66 H GLU 9 H GLU 9 -2.194 7.488 7.044
67 HA GLU 9 HA GLU 9 0.053 5.737 7.721
68 HB2 GLU 9 2HB GLU 9 -1.253 4.427 9.202
69 HB3 GLU 9 1HB GLU 9 -1.713 6.079 9.575
70 HG2 GLU 9 2HG GLU 9 -3.155 4.333 7.711
71 HG3 GLU 9 1HG GLU 9 -3.543 4.338 9.431
72 H SER 10 H SER 10 -0.440 3.385 7.160
73 HA SER 10 HA SER 10 -1.132 3.420 4.433
74 HB2 SER 10 2HB SER 10 0.029 1.347 4.512
75 HB3 SER 10 1HB SER 10 0.837 2.728 5.371
76 HG SER 10 HG SER 10 -0.748 1.119 6.940
77 H CYS 11 H CYS 11 -2.538 1.969 3.643
78 HA CYS 11 HA CYS 11 -4.251 0.450 5.408
79 HB2 CYS 11 2HB CYS 11 -5.501 2.702 5.092
80 HB3 CYS 11 1HB CYS 11 -5.442 2.392 3.360
81 H ALA 12 H ALA 12 -5.959 -0.554 3.494
82 HA ALA 12 HA ALA 12 -4.080 -1.615 1.516
83 HB1 ALA 12 1HB ALA 12 -5.138 -3.802 1.767
84 HB2 ALA 12 2HB ALA 12 -6.194 -3.148 3.020
85 HB3 ALA 12 3HB ALA 12 -4.458 -3.252 3.302
86 H CYS 13 H CYS 13 -4.806 -1.507 -0.514
87 HA CYS 13 HA CYS 13 -7.378 -0.458 -1.101
88 HB2 CYS 13 2HB CYS 13 -5.258 -1.762 -2.847
89 HB3 CYS 13 1HB CYS 13 -6.681 -0.938 -3.436
90 H ASN 14 H ASN 14 -9.196 -1.420 -1.461
91 HA ASN 14 HA ASN 14 -9.828 -3.943 -0.494
92 HB2 ASN 14 2HB ASN 14 -11.428 -2.069 -0.896
93 HB3 ASN 14 1HB ASN 14 -11.302 -2.399 -2.620
94 HD21 ASN 14 1HD2 ASN 14 -12.443 -4.169 -3.486
95 HD22 ASN 14 2HD2 ASN 14 -13.580 -5.060 -2.533
96 H GLU 15 H GLU 15 -8.593 -3.099 -3.552
97 HA GLU 15 HA GLU 15 -9.460 -5.354 -4.862
98 HB2 GLU 15 2HB GLU 15 -8.966 -3.124 -5.928
99 HB3 GLU 15 1HB GLU 15 -7.265 -3.441 -5.632
100 HG2 GLU 15 2HG GLU 15 -8.948 -5.211 -7.374
101 HG3 GLU 15 1HG GLU 15 -8.079 -3.804 -7.983
102 H THR 16 H THR 16 -8.136 -7.242 -5.296
103 HA THR 16 HA THR 16 -6.553 -8.269 -3.264
104 HB THR 16 HB THR 16 -6.819 -9.104 -6.141
105 HG1 THR 16 1HG THR 16 -8.673 -9.740 -5.439
106 HG21 THR 16 3HG2 THR 16 -5.789 -10.782 -3.811
107 HG22 THR 16 1HG2 THR 16 -4.766 -9.987 -5.032
108 HG23 THR 16 2HG2 THR 16 -5.914 -11.248 -5.506
109 H ASP 17 H ASP 17 -5.460 -7.164 -6.474
110 HA ASP 17 HA ASP 17 -2.815 -7.902 -5.972
111 HB2 ASP 17 2HB ASP 17 -3.703 -7.642 -8.245
112 HB3 ASP 17 1HB ASP 17 -3.966 -5.932 -7.882
113 H ASN 18 H ASN 18 -4.673 -4.893 -5.755
114 HA ASN 18 HA ASN 18 -2.366 -3.460 -5.015
115 HB2 ASN 18 2HB ASN 18 -5.197 -2.593 -5.415
116 HB3 ASN 18 1HB ASN 18 -3.976 -1.511 -4.744
117 HD21 ASN 18 1HD2 ASN 18 -4.867 -3.411 -7.564
118 HD22 ASN 18 2HD2 ASN 18 -3.866 -2.575 -8.675
119 H SER 19 H SER 19 -4.148 -5.490 -3.296
120 HA SER 19 HA SER 19 -3.944 -4.084 -0.811
121 HB2 SER 19 2HB SER 19 -4.336 -6.992 -1.502
122 HB3 SER 19 1HB SER 19 -4.004 -6.531 0.158
123 HG SER 19 HG SER 19 -6.059 -5.330 -1.382
124 H CYS 20 H CYS 20 -1.749 -5.493 -2.912
125 HA CYS 20 HA CYS 20 0.310 -5.839 -0.903
126 HB2 CYS 20 2HB CYS 20 0.298 -6.399 -3.864
127 HB3 CYS 20 1HB CYS 20 1.557 -6.917 -2.755
128 H LYS 21 H LYS 21 -0.911 -3.346 -2.636
129 HA LYS 21 HA LYS 21 1.606 -1.879 -2.881
130 HB2 LYS 21 2HB LYS 21 -0.996 -1.953 -4.256
131 HB3 LYS 21 1HB LYS 21 -0.392 -0.367 -3.812
132 HG2 LYS 21 2HG LYS 21 0.159 -1.028 -6.050
133 HG3 LYS 21 1HG LYS 21 1.588 -0.699 -5.034
134 HD2 LYS 21 2HD LYS 21 2.060 -2.624 -6.425
135 HD3 LYS 21 1HD LYS 21 1.815 -3.175 -4.770
136 HE2 LYS 21 2HE LYS 21 0.727 -4.620 -6.423
137 HE3 LYS 21 1HE LYS 21 -0.416 -3.904 -5.296
138 HZ1 LYS 21 3HZ LYS 21 0.115 -2.891 -8.039
139 HZ2 LYS 21 1HZ LYS 21 -1.133 -2.358 -7.013
140 HZ3 LYS 21 2HZ LYS 21 -1.111 -3.937 -7.637
141 H VAL 22 H VAL 22 1.788 -0.083 -2.319
142 HA VAL 22 HA VAL 22 1.032 0.274 0.371
143 HB VAL 22 HB VAL 22 2.624 1.929 -1.528
144 HG11 VAL 22 1HG1 VAL 22 1.793 3.328 0.141
145 HG12 VAL 22 2HG1 VAL 22 3.499 3.014 0.593
146 HG13 VAL 22 3HG1 VAL 22 2.151 2.185 1.428
147 HG21 VAL 22 3HG2 VAL 22 3.425 -0.086 0.592
148 HG22 VAL 22 1HG2 VAL 22 4.529 0.913 -0.365
149 HG23 VAL 22 2HG2 VAL 22 3.464 -0.297 -1.136
150 H CYS 23 H CYS 23 -0.799 0.732 0.508
151 HA CYS 23 HA CYS 23 -1.926 3.062 -0.890
152 HB2 CYS 23 2HB CYS 23 -3.554 1.078 0.723
153 HB3 CYS 23 1HB CYS 23 -4.098 2.315 -0.418
154 H CYS 24 H CYS 24 -2.666 4.789 0.260
155 HA CYS 24 HA CYS 24 -1.909 4.840 3.089
156 HB2 CYS 24 2HB CYS 24 -2.245 7.104 1.096
157 HB3 CYS 24 1HB CYS 24 -1.784 7.301 2.780
158 H ARG 25 H ARG 25 -3.506 6.573 4.262
159 HA ARG 25 HA ARG 25 -6.097 5.879 3.179
160 HB2 ARG 25 2HB ARG 25 -5.311 4.664 5.234
161 HB3 ARG 25 1HB ARG 25 -5.289 6.204 6.054
162 HG2 ARG 25 2HG ARG 25 -7.733 5.230 4.741
163 HG3 ARG 25 1HG ARG 25 -7.270 4.594 6.331
164 HD2 ARG 25 2HD ARG 25 -7.870 7.473 5.530
165 HD3 ARG 25 1HD ARG 25 -8.808 6.480 6.648
166 HE ARG 25 HE ARG 25 -6.314 6.586 7.768
167 HH11 ARG 25 1HH1 ARG 25 -8.444 9.146 6.672
168 HH12 ARG 25 2HH1 ARG 25 -7.994 10.239 7.908
169 HH21 ARG 25 1HH2 ARG 25 -5.666 7.912 9.281
170 HH22 ARG 25 2HH2 ARG 25 -6.247 9.516 9.520
171 H ASP 26 H ASP 26 -7.397 7.563 2.782
172 HA ASP 26 HA ASP 26 -6.131 10.112 3.064
173 HB2 ASP 26 2HB ASP 26 -7.004 10.597 1.042
174 HB3 ASP 26 1HB ASP 26 -7.307 8.877 0.904
175 H LEU 27 H LEU 27 -7.984 11.720 2.962
176 HA LEU 27 HA LEU 27 -8.567 12.131 5.621
177 HB2 LEU 27 2HB LEU 27 -9.308 13.496 3.144
178 HB3 LEU 27 1HB LEU 27 -9.677 14.250 4.712
179 HG LEU 27 HG LEU 27 -7.785 15.371 3.982
180 HD11 LEU 27 1HD1 LEU 27 -5.817 14.599 5.180
181 HD12 LEU 27 2HD1 LEU 27 -6.601 13.039 5.432
182 HD13 LEU 27 3HD1 LEU 27 -7.286 14.496 6.155
183 HD21 LEU 27 3HD2 LEU 27 -5.933 14.371 2.696
184 HD22 LEU 27 1HD2 LEU 27 -7.507 14.101 1.930
185 HD23 LEU 27 2HD2 LEU 27 -6.747 12.798 2.818
186 H SER 28 H SER 28 -10.368 11.179 2.815
187 HA SER 28 HA SER 28 -12.891 11.445 4.085
188 HB2 SER 28 2HB SER 28 -12.069 10.407 1.404
189 HB3 SER 28 1HB SER 28 -13.760 10.692 1.881
190 HG SER 28 HG SER 28 -12.218 12.820 2.391
191 H GLY 29 H GLY 29 -10.444 9.357 4.264
192 HA2 GLY 29 2HA GLY 29 -10.261 7.585 5.358
193 HA3 GLY 29 1HA GLY 29 -12.018 7.329 5.446
194 H ARG 30 H ARG 30 -10.514 7.788 2.345
195 HA ARG 30 HA ARG 30 -11.161 5.064 1.624
196 HB2 ARG 30 2HB ARG 30 -10.138 7.398 0.013
197 HB3 ARG 30 1HB ARG 30 -10.703 5.864 -0.637
198 HG2 ARG 30 2HG ARG 30 -12.922 6.310 -0.081
199 HG3 ARG 30 1HG ARG 30 -12.470 7.582 1.056
200 HD2 ARG 30 2HD ARG 30 -12.052 7.704 -1.915
201 HD3 ARG 30 1HD ARG 30 -13.407 8.449 -1.045
202 HE ARG 30 HE ARG 30 -10.951 9.263 0.077
203 HH11 ARG 30 1HH1 ARG 30 -12.879 9.824 -2.832
204 HH12 ARG 30 2HH1 ARG 30 -12.363 11.439 -3.044
205 HH21 ARG 30 1HH2 ARG 30 -10.267 11.437 -0.173
206 HH22 ARG 30 2HH2 ARG 30 -10.806 12.409 -1.458
207 H CYS 31 H CYS 31 -9.642 3.583 1.144
208 HA CYS 31 HA CYS 31 -6.900 4.215 1.768
209 HB2 CYS 31 2HB CYS 31 -8.167 1.584 0.985
210 HB3 CYS 31 1HB CYS 31 -6.585 1.801 1.734
211 H VAL 32 H VAL 32 -5.764 5.088 0.205
212 HA VAL 32 HA VAL 32 -6.409 4.396 -2.449
213 HB VAL 32 HB VAL 32 -5.287 6.690 -2.999
214 HG11 VAL 32 1HG1 VAL 32 -7.539 6.095 -3.416
215 HG12 VAL 32 2HG1 VAL 32 -7.489 7.754 -2.782
216 HG13 VAL 32 3HG1 VAL 32 -8.018 6.413 -1.745
217 HG21 VAL 32 3HG2 VAL 32 -5.410 8.345 -1.278
218 HG22 VAL 32 1HG2 VAL 32 -4.537 6.967 -0.611
219 HG23 VAL 32 2HG2 VAL 32 -6.235 7.259 -0.169
220 HA PRO 33 HA PRO 33 -2.267 2.855 -2.900
221 HB2 PRO 33 2HB PRO 33 -1.992 3.244 -5.609
222 HB3 PRO 33 1HB PRO 33 -2.934 1.905 -4.919
223 HG2 PRO 33 2HG PRO 33 -3.901 4.501 -6.000
224 HG3 PRO 33 1HG PRO 33 -4.585 2.873 -6.192
225 HD2 PRO 33 2HD PRO 33 -5.645 4.624 -4.422
226 HD3 PRO 33 1HD PRO 33 -5.563 2.882 -4.103
227 H TYR 34 H TYR 34 -0.385 3.936 -2.383
228 HA TYR 34 HA TYR 34 -0.282 6.725 -2.889
229 HB2 TYR 34 2HB TYR 34 0.708 6.376 -0.909
230 HB3 TYR 34 1HB TYR 34 1.422 4.821 -1.345
231 HD1 TYR 34 1HD TYR 34 2.062 8.666 -1.338
232 HD2 TYR 34 2HD TYR 34 3.595 4.780 -2.519
233 HE1 TYR 34 1HE TYR 34 4.023 9.531 -1.597
234 HE2 TYR 34 2HE TYR 34 5.721 5.852 -2.828
235 HH TYR 34 HH TYR 34 6.501 8.692 -1.586
236 H VAL 35 H VAL 35 0.779 7.849 -4.260
237 HA VAL 35 HA VAL 35 3.061 6.874 -5.586
238 HB VAL 35 HB VAL 35 1.484 8.717 -7.103
239 HG11 VAL 35 1HG1 VAL 35 2.782 6.219 -7.975
240 HG12 VAL 35 2HG1 VAL 35 3.370 7.889 -7.979
241 HG13 VAL 35 3HG1 VAL 35 2.041 7.427 -9.042
242 HG21 VAL 35 3HG2 VAL 35 -0.271 7.320 -8.083
243 HG22 VAL 35 1HG2 VAL 35 -0.428 7.443 -6.326
244 HG23 VAL 35 2HG2 VAL 35 0.228 5.967 -7.050
245 H ASP 36 H ASP 36 4.344 8.809 -5.525
246 HA ASP 36 HA ASP 36 2.756 11.206 -4.687
247 HB2 ASP 36 2HB ASP 36 4.357 10.364 -3.068
248 HB3 ASP 36 1HB ASP 36 5.714 10.612 -4.213
249 H ALA 37 H ALA 37 4.316 13.004 -5.255
250 HA ALA 37 HA ALA 37 2.706 13.150 -7.443
251 HB1 ALA 37 1HB ALA 37 4.562 15.176 -6.329
252 HB2 ALA 37 2HB ALA 37 2.998 14.629 -5.742
253 HB3 ALA 37 3HB ALA 37 3.076 15.513 -7.310
254 H GLU 38 H GLU 38 5.942 12.566 -6.823
255 HA GLU 38 HA GLU 38 7.191 13.069 -9.154
256 HB2 GLU 38 2HB GLU 38 8.911 11.748 -8.184
257 HB3 GLU 38 1HB GLU 38 7.951 12.736 -7.016
258 HG2 GLU 38 2HG GLU 38 6.884 10.887 -6.122
259 HG3 GLU 38 1HG GLU 38 7.510 9.823 -7.380
260 H GLN 39 H GLN 39 4.853 10.765 -8.237
261 HA GLN 39 HA GLN 39 3.725 9.270 -9.135
262 HB2 GLN 39 2HB GLN 39 5.452 10.049 -11.245
263 HB3 GLN 39 1HB GLN 39 4.313 8.695 -11.621
264 HG2 GLN 39 2HG GLN 39 2.496 10.254 -10.966
265 HG3 GLN 39 1HG GLN 39 3.720 11.473 -10.613
266 HE21 GLN 39 1HE2 GLN 39 4.697 12.528 -12.319
267 HE22 GLN 39 2HE2 GLN 39 4.096 12.452 -13.945
268 H LYS 40 H LYS 40 5.930 8.691 -7.493
269 HA LYS 40 HA LYS 40 6.755 6.111 -8.517
270 HB2 LYS 40 2HB LYS 40 8.423 6.056 -7.078
271 HB3 LYS 40 1HB LYS 40 8.073 7.838 -7.263
272 HG2 LYS 40 2HG LYS 40 7.228 8.021 -5.097
273 HG3 LYS 40 1HG LYS 40 7.144 6.265 -4.879
274 HD2 LYS 40 2HD LYS 40 9.561 6.093 -4.887
275 HD3 LYS 40 1HD LYS 40 9.720 7.795 -5.294
276 HE2 LYS 40 2HE LYS 40 8.599 6.701 -2.711
277 HE3 LYS 40 1HE LYS 40 10.230 7.326 -2.929
278 HZ1 LYS 40 3HZ LYS 40 8.790 9.011 -1.947
279 HZ2 LYS 40 1HZ LYS 40 7.693 8.792 -3.168
280 HZ3 LYS 40 2HZ LYS 40 9.111 9.529 -3.565
281 H ASN 41 H ASN 41 6.281 4.253 -7.626
282 HA ASN 41 HA ASN 41 4.009 4.287 -5.786
283 HB2 ASN 41 2HB ASN 41 3.741 3.571 -8.246
284 HB3 ASN 41 1HB ASN 41 4.757 2.224 -7.746
285 HD21 ASN 41 1HD2 ASN 41 1.635 3.729 -7.134
286 HD22 ASN 41 2HD2 ASN 41 0.866 2.319 -6.515
287 H LEU 42 H LEU 42 4.011 1.799 -4.905
288 HA LEU 42 HA LEU 42 6.702 1.024 -4.114
289 HB2 LEU 42 2HB LEU 42 4.662 1.933 -2.118
290 HB3 LEU 42 1HB LEU 42 6.185 1.172 -1.730
291 HG LEU 42 HG LEU 42 5.914 3.856 -3.053
292 HD11 LEU 42 1HD1 LEU 42 6.256 4.810 -0.911
293 HD12 LEU 42 2HD1 LEU 42 6.450 3.218 -0.145
294 HD13 LEU 42 3HD1 LEU 42 4.876 3.715 -0.782
295 HD21 LEU 42 3HD2 LEU 42 8.234 4.137 -2.334
296 HD22 LEU 42 1HD2 LEU 42 8.073 2.743 -3.403
297 HD23 LEU 42 2HD2 LEU 42 8.234 2.505 -1.661
298 H PHE 43 H PHE 43 6.745 -1.050 -3.195
299 HA PHE 43 HA PHE 43 4.337 -2.471 -3.278
300 HB2 PHE 43 2HB PHE 43 5.900 -3.401 -4.762
301 HB3 PHE 43 1HB PHE 43 7.220 -3.110 -3.636
302 HD1 PHE 43 2HD PHE 43 3.974 -4.993 -3.498
303 HD2 PHE 43 1HD PHE 43 8.192 -5.067 -2.923
304 HE1 PHE 43 2HE PHE 43 3.829 -7.310 -2.690
305 HE2 PHE 43 1HE PHE 43 8.045 -7.381 -2.120
306 HZ PHE 43 HZ PHE 43 5.859 -8.500 -2.003
307 H LEU 44 H LEU 44 3.676 -3.497 -1.301
308 HA LEU 44 HA LEU 44 4.777 -2.596 0.970
309 HB2 LEU 44 2HB LEU 44 2.601 -4.517 0.364
310 HB3 LEU 44 1HB LEU 44 3.147 -4.344 2.016
311 HG LEU 44 HG LEU 44 2.126 -2.048 0.335
312 HD11 LEU 44 1HD1 LEU 44 0.108 -2.248 1.700
313 HD12 LEU 44 2HD1 LEU 44 0.800 -3.681 2.468
314 HD13 LEU 44 3HD1 LEU 44 0.387 -3.714 0.754
315 HD21 LEU 44 3HD2 LEU 44 3.658 -1.405 2.166
316 HD22 LEU 44 1HD2 LEU 44 2.655 -2.310 3.296
317 HD23 LEU 44 2HD2 LEU 44 2.005 -0.889 2.481
318 H ARG 45 H ARG 45 4.880 -4.611 2.774
319 HA ARG 45 HA ARG 45 7.262 -5.999 2.271
320 HB2 ARG 45 2HB ARG 45 5.819 -5.352 4.477
321 HB3 ARG 45 1HB ARG 45 5.498 -7.081 4.244
322 HG2 ARG 45 2HG ARG 45 7.930 -7.555 4.239
323 HG3 ARG 45 1HG ARG 45 8.205 -5.879 4.713
324 HD2 ARG 45 2HD ARG 45 8.225 -7.316 6.669
325 HD3 ARG 45 1HD ARG 45 6.833 -6.234 6.723
326 HE ARG 45 HE ARG 45 6.212 -8.773 5.527
327 HH11 ARG 45 1HH1 ARG 45 6.585 -7.191 8.674
328 HH12 ARG 45 2HH1 ARG 45 5.537 -8.250 9.494
329 HH21 ARG 45 1HH2 ARG 45 4.763 -10.218 6.624
330 HH22 ARG 45 2HH2 ARG 45 4.454 -10.042 8.271
331 H LYS 46 H LYS 46 7.238 -8.359 2.913
332 HA LYS 46 HA LYS 46 5.549 -9.974 1.133
333 HB2 LYS 46 2HB LYS 46 8.013 -10.153 0.899
334 HB3 LYS 46 1HB LYS 46 8.156 -10.530 2.599
335 HG2 LYS 46 2HG LYS 46 6.986 -12.683 2.183
336 HG3 LYS 46 1HG LYS 46 6.937 -12.291 0.458
337 HD2 LYS 46 2HD LYS 46 9.364 -12.203 0.364
338 HD3 LYS 46 1HD LYS 46 9.473 -12.440 2.101
339 HE2 LYS 46 2HE LYS 46 10.028 -14.509 1.002
340 HE3 LYS 46 1HE LYS 46 8.473 -14.703 1.799
341 HZ1 LYS 46 3HZ LYS 46 8.742 -14.119 -1.121
342 HZ2 LYS 46 1HZ LYS 46 7.363 -14.519 -0.302
343 HZ3 LYS 46 2HZ LYS 46 8.531 -15.663 -0.488
344 H GLY 47 H GLY 47 4.090 -11.340 2.010
345 HA2 GLY 47 2HA GLY 47 2.989 -12.637 3.556
346 HA3 GLY 47 1HA GLY 47 4.315 -12.368 4.702
347 H LYS 48 H LYS 48 2.562 -9.910 2.993
348 HA LYS 48 HA LYS 48 1.638 -8.811 5.496
349 HB2 LYS 48 2HB LYS 48 2.854 -7.374 3.977
350 HB3 LYS 48 1HB LYS 48 1.809 -7.837 2.658
351 HG2 LYS 48 2HG LYS 48 0.718 -6.343 5.049
352 HG3 LYS 48 1HG LYS 48 1.532 -5.475 3.748
353 HD2 LYS 48 2HD LYS 48 -0.083 -6.293 2.141
354 HD3 LYS 48 1HD LYS 48 -0.832 -7.310 3.368
355 HE2 LYS 48 2HE LYS 48 -1.516 -5.316 4.602
356 HE3 LYS 48 1HE LYS 48 -0.782 -4.280 3.383
357 HZ1 LYS 48 3HZ LYS 48 -2.952 -6.226 2.939
358 HZ2 LYS 48 1HZ LYS 48 -2.258 -5.251 1.740
359 HZ3 LYS 48 2HZ LYS 48 -3.158 -4.537 2.989
360 HA PRO 49 HA PRO 49 -2.430 -10.746 5.064
361 HB2 PRO 49 2HB PRO 49 -3.236 -8.211 6.433
362 HB3 PRO 49 1HB PRO 49 -3.642 -9.888 6.860
363 HG2 PRO 49 2HG PRO 49 -1.851 -8.616 8.274
364 HG3 PRO 49 1HG PRO 49 -1.589 -10.311 7.812
365 HD2 PRO 49 2HD PRO 49 -0.318 -7.855 6.707
366 HD3 PRO 49 1HD PRO 49 0.366 -9.472 6.981
367 H CYS 50 H CYS 50 -3.666 -10.693 3.285
368 HA CYS 50 HA CYS 50 -4.216 -8.164 2.084
369 HB2 CYS 50 2HB CYS 50 -2.433 -8.889 0.873
370 HB3 CYS 50 1HB CYS 50 -2.848 -10.600 1.009
371 H THR 51 H THR 51 -5.768 -9.133 -0.022
372 HA THR 51 HA THR 51 -8.279 -9.357 1.150
373 HB THR 51 HB THR 51 -8.962 -9.833 -1.274
374 HG1 THR 51 1HG THR 51 -7.430 -9.909 -2.782
375 HG21 THR 51 3HG2 THR 51 -6.994 -7.594 -0.949
376 HG22 THR 51 1HG2 THR 51 -8.655 -7.502 -0.324
377 HG23 THR 51 2HG2 THR 51 -8.350 -7.660 -2.064
378 H VAL 52 H VAL 52 -6.593 -11.546 -0.866
379 HA VAL 52 HA VAL 52 -8.354 -13.712 -0.095
380 HB VAL 52 HB VAL 52 -7.475 -14.919 -2.055
381 HG11 VAL 52 1HG1 VAL 52 -8.439 -12.080 -2.475
382 HG12 VAL 52 2HG1 VAL 52 -9.428 -13.536 -2.336
383 HG13 VAL 52 3HG1 VAL 52 -8.400 -13.301 -3.751
384 HG21 VAL 52 3HG2 VAL 52 -5.175 -13.815 -2.024
385 HG22 VAL 52 1HG2 VAL 52 -5.915 -12.384 -2.729
386 HG23 VAL 52 2HG2 VAL 52 -5.919 -13.899 -3.616
387 H GLY 53 H GLY 53 -5.122 -12.753 0.468
388 HA2 GLY 53 2HA GLY 53 -4.751 -14.799 2.326
389 HA3 GLY 53 1HA GLY 53 -3.850 -15.100 0.831
390 H PHE 54 H PHE 54 -1.888 -14.375 0.808
391 HA PHE 54 HA PHE 54 -1.248 -11.944 2.349
392 HB2 PHE 54 2HB PHE 54 0.380 -14.461 2.163
393 HB3 PHE 54 1HB PHE 54 1.019 -12.940 2.796
394 HD1 PHE 54 1HD PHE 54 0.042 -12.003 4.889
395 HD2 PHE 54 2HD PHE 54 -0.948 -15.894 3.483
396 HE1 PHE 54 1HE PHE 54 -0.806 -12.587 7.121
397 HE2 PHE 54 2HE PHE 54 -1.801 -16.486 5.713
398 HZ PHE 54 HZ PHE 54 -1.731 -14.833 7.536
399 H CYS 55 H CYS 55 0.462 -10.754 1.583
400 HA CYS 55 HA CYS 55 0.687 -10.807 -1.314
401 HB2 CYS 55 2HB CYS 55 1.626 -8.897 0.768
402 HB3 CYS 55 1HB CYS 55 1.955 -8.693 -0.948
403 H ASP 56 H ASP 56 2.379 -11.571 -2.375
404 HA ASP 56 HA ASP 56 4.809 -11.832 -0.779
405 HB2 ASP 56 2HB ASP 56 3.691 -13.983 -1.789
406 HB3 ASP 56 1HB ASP 56 4.461 -13.455 -3.289
407 H MET 57 H MET 57 6.773 -12.116 -2.715
408 HA MET 57 HA MET 57 7.544 -9.575 -3.027
409 HB2 MET 57 2HB MET 57 8.812 -11.661 -2.789
410 HB3 MET 57 1HB MET 57 8.436 -12.039 -4.462
411 HG2 MET 57 2HG MET 57 9.497 -10.023 -5.143
412 HG3 MET 57 1HG MET 57 9.833 -9.703 -3.421
413 HE1 MET 57 3HE MET 57 12.491 -9.402 -4.124
414 HE2 MET 57 1HE MET 57 12.121 -9.819 -5.797
415 HE3 MET 57 2HE MET 57 13.414 -10.661 -4.944
416 H ASN 58 H ASN 58 5.531 -11.360 -5.233
417 HA ASN 58 HA ASN 58 6.349 -9.711 -7.510
418 HB2 ASN 58 2HB ASN 58 5.838 -12.176 -7.767
419 HB3 ASN 58 1HB ASN 58 4.155 -11.808 -7.432
420 HD21 ASN 58 1HD2 ASN 58 6.752 -11.502 -9.731
421 HD22 ASN 58 2HD2 ASN 58 5.764 -11.068 -11.080
422 H GLY 59 H GLY 59 4.392 -9.240 -4.929
423 HA2 GLY 59 2HA GLY 59 2.861 -7.520 -4.501
424 HA3 GLY 59 1HA GLY 59 2.885 -7.129 -6.224
425 H LYS 60 H LYS 60 2.482 -10.342 -5.314
426 HA LYS 60 HA LYS 60 -0.360 -10.261 -6.050
427 HB2 LYS 60 2HB LYS 60 1.831 -12.175 -6.690
428 HB3 LYS 60 1HB LYS 60 0.235 -12.841 -6.396
429 HG2 LYS 60 2HG LYS 60 0.782 -12.371 -8.819
430 HG3 LYS 60 1HG LYS 60 -0.711 -11.643 -8.225
431 HD2 LYS 60 2HD LYS 60 0.524 -9.531 -7.855
432 HD3 LYS 60 1HD LYS 60 1.954 -10.284 -8.546
433 HE2 LYS 60 2HE LYS 60 0.933 -10.441 -10.672
434 HE3 LYS 60 1HE LYS 60 -0.650 -10.012 -10.010
435 HZ1 LYS 60 3HZ LYS 60 0.048 -7.910 -9.499
436 HZ2 LYS 60 1HZ LYS 60 0.499 -8.118 -11.107
437 HZ3 LYS 60 2HZ LYS 60 1.674 -8.194 -9.848
438 H CYS 61 H CYS 61 -1.602 -11.974 -5.165
439 HA CYS 61 HA CYS 61 -1.035 -12.018 -2.324
440 HB2 CYS 61 2HB CYS 61 -2.631 -10.334 -3.196
441 HB3 CYS 61 1HB CYS 61 -3.595 -11.724 -3.730
442 H GLU 62 H GLU 62 -0.905 -13.902 -1.784
443 HA GLU 62 HA GLU 62 -2.089 -16.078 -3.282
444 HB2 GLU 62 2HB GLU 62 0.242 -16.273 -1.363
445 HB3 GLU 62 1HB GLU 62 -0.252 -17.448 -2.564
446 HG2 GLU 62 2HG GLU 62 1.015 -14.757 -3.124
447 HG3 GLU 62 1HG GLU 62 1.832 -16.308 -3.183
Start of MODEL 6
1 H PHE 1 1HT PHE 1 4.186 4.318 8.150
2 HA PHE 1 HA PHE 1 5.008 4.387 6.195
3 HB2 PHE 1 2HB PHE 1 4.382 2.769 4.301
4 HB3 PHE 1 1HB PHE 1 5.522 2.187 5.500
5 HD1 PHE 1 2HD PHE 1 4.190 0.805 7.463
6 HD2 PHE 1 1HD PHE 1 2.960 1.435 3.470
7 HE1 PHE 1 2HE PHE 1 2.853 -1.259 7.580
8 HE2 PHE 1 1HE PHE 1 1.616 -0.650 3.545
9 HZ PHE 1 HZ PHE 1 1.565 -1.996 5.611
10 H CYS 2 H CYS 2 4.037 4.525 3.964
11 HA CYS 2 HA CYS 2 3.159 6.233 2.859
12 HB2 CYS 2 2HB CYS 2 1.060 5.058 3.531
13 HB3 CYS 2 1HB CYS 2 1.035 6.215 4.880
14 H GLU 3 H GLU 3 4.194 6.642 5.942
15 HA GLU 3 HA GLU 3 3.235 9.104 6.816
16 HB2 GLU 3 2HB GLU 3 5.239 9.289 8.293
17 HB3 GLU 3 1HB GLU 3 4.261 7.840 8.551
18 HG2 GLU 3 2HG GLU 3 6.968 8.058 7.170
19 HG3 GLU 3 1HG GLU 3 6.668 7.470 8.793
20 H ARG 4 H ARG 4 6.622 8.853 5.735
21 HA ARG 4 HA ARG 4 6.391 11.583 5.143
22 HB2 ARG 4 2HB ARG 4 8.756 11.686 4.813
23 HB3 ARG 4 1HB ARG 4 8.450 10.507 6.068
24 HG2 ARG 4 2HG ARG 4 10.141 9.476 4.886
25 HG3 ARG 4 1HG ARG 4 8.718 8.761 4.137
26 HD2 ARG 4 2HD ARG 4 9.595 11.245 2.826
27 HD3 ARG 4 1HD ARG 4 10.818 9.982 2.797
28 HE ARG 4 HE ARG 4 8.743 8.612 1.946
29 HH11 ARG 4 1HH1 ARG 4 9.590 11.907 0.933
30 HH12 ARG 4 2HH1 ARG 4 8.955 11.693 -0.648
31 HH21 ARG 4 1HH2 ARG 4 7.948 8.366 -0.090
32 HH22 ARG 4 2HH2 ARG 4 7.930 9.597 -1.279
33 H GLU 5 H GLU 5 5.637 8.861 3.677
34 HA GLU 5 HA GLU 5 6.307 9.140 0.980
35 HB2 GLU 5 2HB GLU 5 3.932 7.754 2.169
36 HB3 GLU 5 1HB GLU 5 4.682 7.367 0.634
37 HG2 GLU 5 2HG GLU 5 5.936 6.849 3.400
38 HG3 GLU 5 1HG GLU 5 5.258 5.658 2.383
39 H GLN 6 H GLN 6 3.089 9.835 2.644
40 HA GLN 6 HA GLN 6 2.795 12.208 1.068
41 HB2 GLN 6 2HB GLN 6 0.263 11.267 0.773
42 HB3 GLN 6 1HB GLN 6 1.457 11.298 -0.545
43 HG2 GLN 6 2HG GLN 6 1.964 8.968 0.064
44 HG3 GLN 6 1HG GLN 6 0.725 9.058 1.305
45 HE21 GLN 6 1HE2 GLN 6 1.255 9.112 -2.179
46 HE22 GLN 6 2HE2 GLN 6 -0.382 8.751 -2.586
47 H GLN 7 H GLN 7 3.035 11.207 3.803
48 HA GLN 7 HA GLN 7 2.530 11.707 5.726
49 HB2 GLN 7 2HB GLN 7 0.981 13.983 4.534
50 HB3 GLN 7 1HB GLN 7 1.336 13.846 6.254
51 HG2 GLN 7 2HG GLN 7 3.697 13.872 5.818
52 HG3 GLN 7 1HG GLN 7 3.395 13.870 4.084
53 HE21 GLN 7 1HE2 GLN 7 1.479 15.733 6.319
54 HE22 GLN 7 2HE2 GLN 7 2.067 17.289 5.821
55 H LEU 8 H LEU 8 0.803 9.831 4.501
56 HA LEU 8 HA LEU 8 -1.474 9.939 6.388
57 HB2 LEU 8 2HB LEU 8 -1.155 8.247 3.904
58 HB3 LEU 8 1HB LEU 8 -2.463 8.117 5.041
59 HG LEU 8 HG LEU 8 -3.421 9.181 3.346
60 HD11 LEU 8 1HD1 LEU 8 -2.460 11.456 4.999
61 HD12 LEU 8 2HD1 LEU 8 -3.700 10.269 5.364
62 HD13 LEU 8 3HD1 LEU 8 -3.949 11.394 4.002
63 HD21 LEU 8 3HD2 LEU 8 -2.422 10.957 1.943
64 HD22 LEU 8 1HD2 LEU 8 -1.560 9.431 1.931
65 HD23 LEU 8 2HD2 LEU 8 -0.895 10.790 2.822
66 H GLU 9 H GLU 9 -2.029 7.606 6.816
67 HA GLU 9 HA GLU 9 0.432 6.047 7.106
68 HB2 GLU 9 2HB GLU 9 -0.519 6.513 9.371
69 HB3 GLU 9 1HB GLU 9 -2.056 5.831 8.849
70 HG2 GLU 9 2HG GLU 9 -0.685 4.337 10.344
71 HG3 GLU 9 1HG GLU 9 -1.167 3.619 8.815
72 H SER 10 H SER 10 0.047 3.740 6.805
73 HA SER 10 HA SER 10 -0.933 3.474 4.302
74 HB2 SER 10 2HB SER 10 -0.168 1.183 4.598
75 HB3 SER 10 1HB SER 10 0.880 2.467 5.257
76 HG SER 10 HG SER 10 0.355 1.965 7.294
77 H CYS 11 H CYS 11 -2.575 1.854 3.607
78 HA CYS 11 HA CYS 11 -4.463 0.810 5.517
79 HB2 CYS 11 2HB CYS 11 -6.447 1.620 4.251
80 HB3 CYS 11 1HB CYS 11 -5.551 3.021 4.786
81 H ALA 12 H ALA 12 -6.025 -0.703 4.068
82 HA ALA 12 HA ALA 12 -4.309 -1.832 1.998
83 HB1 ALA 12 1HB ALA 12 -5.171 -4.052 2.603
84 HB2 ALA 12 2HB ALA 12 -6.132 -3.329 3.893
85 HB3 ALA 12 3HB ALA 12 -4.372 -3.287 3.979
86 H CYS 13 H CYS 13 -5.169 -1.613 0.097
87 HA CYS 13 HA CYS 13 -7.818 -0.791 -0.425
88 HB2 CYS 13 2HB CYS 13 -5.701 -1.968 -2.237
89 HB3 CYS 13 1HB CYS 13 -7.174 -1.201 -2.770
90 H ASN 14 H ASN 14 -9.592 -1.754 -1.049
91 HA ASN 14 HA ASN 14 -10.161 -4.348 -0.146
92 HB2 ASN 14 2HB ASN 14 -11.822 -2.501 -0.414
93 HB3 ASN 14 1HB ASN 14 -11.693 -2.709 -2.158
94 HD21 ASN 14 1HD2 ASN 14 -12.768 -4.471 -3.142
95 HD22 ASN 14 2HD2 ASN 14 -13.869 -5.459 -2.246
96 H GLU 15 H GLU 15 -8.959 -3.227 -3.140
97 HA GLU 15 HA GLU 15 -9.785 -5.449 -4.571
98 HB2 GLU 15 2HB GLU 15 -9.545 -3.146 -5.565
99 HB3 GLU 15 1HB GLU 15 -7.809 -3.319 -5.371
100 HG2 GLU 15 2HG GLU 15 -9.407 -5.156 -7.124
101 HG3 GLU 15 1HG GLU 15 -8.713 -3.641 -7.698
102 H THR 16 H THR 16 -8.254 -7.180 -5.328
103 HA THR 16 HA THR 16 -6.531 -8.101 -3.372
104 HB THR 16 HB THR 16 -6.811 -8.938 -6.248
105 HG1 THR 16 1HG THR 16 -8.089 -9.478 -3.837
106 HG21 THR 16 3HG2 THR 16 -4.626 -9.592 -5.232
107 HG22 THR 16 1HG2 THR 16 -5.643 -10.993 -5.621
108 HG23 THR 16 2HG2 THR 16 -5.510 -10.465 -3.954
109 H ASP 17 H ASP 17 -5.638 -6.732 -6.573
110 HA ASP 17 HA ASP 17 -2.922 -7.242 -6.089
111 HB2 ASP 17 2HB ASP 17 -3.797 -6.860 -8.380
112 HB3 ASP 17 1HB ASP 17 -4.139 -5.194 -7.871
113 H ASN 18 H ASN 18 -5.080 -4.477 -5.742
114 HA ASN 18 HA ASN 18 -3.081 -2.706 -5.017
115 HB2 ASN 18 2HB ASN 18 -6.062 -2.554 -4.895
116 HB3 ASN 18 1HB ASN 18 -5.076 -1.304 -4.153
117 HD21 ASN 18 1HD2 ASN 18 -5.840 -2.881 -7.218
118 HD22 ASN 18 2HD2 ASN 18 -5.319 -1.568 -8.204
119 H SER 19 H SER 19 -4.718 -5.000 -3.304
120 HA SER 19 HA SER 19 -4.088 -3.815 -0.730
121 HB2 SER 19 2HB SER 19 -4.855 -5.896 0.336
122 HB3 SER 19 1HB SER 19 -6.016 -5.305 -0.851
123 HG SER 19 HG SER 19 -4.577 -6.917 -2.239
124 H CYS 20 H CYS 20 -2.246 -5.248 -3.009
125 HA CYS 20 HA CYS 20 -0.385 -6.325 -1.042
126 HB2 CYS 20 2HB CYS 20 -1.269 -7.670 -3.091
127 HB3 CYS 20 1HB CYS 20 -0.171 -6.651 -4.017
128 H LYS 21 H LYS 21 -1.022 -3.413 -2.261
129 HA LYS 21 HA LYS 21 1.754 -2.574 -1.950
130 HB2 LYS 21 2HB LYS 21 1.866 -1.840 -4.167
131 HB3 LYS 21 1HB LYS 21 0.321 -2.695 -4.278
132 HG2 LYS 21 2HG LYS 21 0.043 0.007 -3.236
133 HG3 LYS 21 1HG LYS 21 0.672 -0.052 -4.876
134 HD2 LYS 21 2HD LYS 21 -1.805 -1.503 -3.978
135 HD3 LYS 21 1HD LYS 21 -1.832 0.124 -4.640
136 HE2 LYS 21 2HE LYS 21 -2.363 -1.375 -6.450
137 HE3 LYS 21 1HE LYS 21 -0.742 -0.773 -6.719
138 HZ1 LYS 21 3HZ LYS 21 -1.125 -3.209 -7.120
139 HZ2 LYS 21 1HZ LYS 21 -1.319 -3.434 -5.502
140 HZ3 LYS 21 2HZ LYS 21 0.175 -2.911 -6.107
141 H VAL 22 H VAL 22 1.986 -0.521 -1.660
142 HA VAL 22 HA VAL 22 0.729 -0.172 0.810
143 HB VAL 22 HB VAL 22 2.608 1.535 -0.741
144 HG11 VAL 22 1HG1 VAL 22 1.472 2.910 0.750
145 HG12 VAL 22 2HG1 VAL 22 3.032 2.569 1.588
146 HG13 VAL 22 3HG1 VAL 22 1.536 1.737 2.053
147 HG21 VAL 22 3HG2 VAL 22 3.122 -0.303 1.610
148 HG22 VAL 22 1HG2 VAL 22 4.334 0.493 0.627
149 HG23 VAL 22 2HG2 VAL 22 3.331 -0.855 -0.028
150 H CYS 23 H CYS 23 -1.135 0.345 0.755
151 HA CYS 23 HA CYS 23 -2.046 2.689 -0.754
152 HB2 CYS 23 2HB CYS 23 -3.722 0.921 1.056
153 HB3 CYS 23 1HB CYS 23 -4.234 2.184 -0.085
154 H CYS 24 H CYS 24 -3.356 4.264 0.424
155 HA CYS 24 HA CYS 24 -2.167 5.008 2.997
156 HB2 CYS 24 2HB CYS 24 -2.386 6.652 0.498
157 HB3 CYS 24 1HB CYS 24 -2.118 7.378 2.075
158 H ARG 25 H ARG 25 -3.518 6.484 4.231
159 HA ARG 25 HA ARG 25 -6.257 5.909 3.436
160 HB2 ARG 25 2HB ARG 25 -5.244 4.783 5.486
161 HB3 ARG 25 1HB ARG 25 -5.253 6.372 6.208
162 HG2 ARG 25 2HG ARG 25 -7.723 5.439 5.006
163 HG3 ARG 25 1HG ARG 25 -7.251 4.643 6.525
164 HD2 ARG 25 2HD ARG 25 -7.057 7.039 7.467
165 HD3 ARG 25 1HD ARG 25 -7.790 7.599 5.969
166 HE ARG 25 HE ARG 25 -9.330 5.613 7.325
167 HH11 ARG 25 1HH1 ARG 25 -8.797 9.060 6.902
168 HH12 ARG 25 2HH1 ARG 25 -10.157 9.604 7.756
169 HH21 ARG 25 1HH2 ARG 25 -11.299 6.287 8.523
170 HH22 ARG 25 2HH2 ARG 25 -11.638 7.941 8.720
171 H ASP 26 H ASP 26 -7.303 7.580 2.789
172 HA ASP 26 HA ASP 26 -6.166 10.118 3.108
173 HB2 ASP 26 2HB ASP 26 -7.027 10.401 1.104
174 HB3 ASP 26 1HB ASP 26 -7.759 8.803 1.126
175 H LEU 27 H LEU 27 -7.479 11.736 3.531
176 HA LEU 27 HA LEU 27 -8.254 11.814 6.151
177 HB2 LEU 27 2HB LEU 27 -9.075 13.923 4.186
178 HB3 LEU 27 1HB LEU 27 -8.792 14.130 5.904
179 HG LEU 27 HG LEU 27 -6.360 13.293 5.129
180 HD11 LEU 27 1HD1 LEU 27 -5.711 14.315 3.028
181 HD12 LEU 27 2HD1 LEU 27 -7.376 14.813 2.750
182 HD13 LEU 27 3HD1 LEU 27 -6.973 13.105 2.767
183 HD21 LEU 27 3HD2 LEU 27 -6.816 15.310 6.426
184 HD22 LEU 27 1HD2 LEU 27 -7.374 16.134 4.970
185 HD23 LEU 27 2HD2 LEU 27 -5.683 15.661 5.122
186 H SER 28 H SER 28 -10.184 11.488 3.261
187 HA SER 28 HA SER 28 -12.628 12.037 4.572
188 HB2 SER 28 2HB SER 28 -12.324 12.756 2.251
189 HB3 SER 28 1HB SER 28 -12.021 11.095 1.755
190 HG SER 28 HG SER 28 -14.267 10.892 2.876
191 H GLY 29 H GLY 29 -10.530 9.544 4.452
192 HA2 GLY 29 2HA GLY 29 -10.725 7.758 5.551
193 HA3 GLY 29 1HA GLY 29 -12.501 7.718 5.425
194 H ARG 30 H ARG 30 -10.788 8.266 2.517
195 HA ARG 30 HA ARG 30 -11.598 5.686 1.541
196 HB2 ARG 30 2HB ARG 30 -10.293 8.053 0.206
197 HB3 ARG 30 1HB ARG 30 -10.923 6.630 -0.618
198 HG2 ARG 30 2HG ARG 30 -13.143 7.180 -0.125
199 HG3 ARG 30 1HG ARG 30 -12.668 8.324 1.131
200 HD2 ARG 30 2HD ARG 30 -12.112 8.652 -1.805
201 HD3 ARG 30 1HD ARG 30 -13.444 9.422 -0.926
202 HE ARG 30 HE ARG 30 -10.987 9.961 0.341
203 HH11 ARG 30 1HH1 ARG 30 -12.834 10.931 -2.507
204 HH12 ARG 30 2HH1 ARG 30 -12.134 12.484 -2.627
205 HH21 ARG 30 1HH2 ARG 30 -10.025 12.049 0.212
206 HH22 ARG 30 2HH2 ARG 30 -10.451 13.157 -1.005
207 H CYS 31 H CYS 31 -10.139 4.249 0.596
208 HA CYS 31 HA CYS 31 -7.412 4.466 1.606
209 HB2 CYS 31 2HB CYS 31 -8.809 2.455 2.219
210 HB3 CYS 31 1HB CYS 31 -8.905 2.063 0.509
211 H VAL 32 H VAL 32 -5.908 5.037 0.107
212 HA VAL 32 HA VAL 32 -6.681 4.739 -2.602
213 HB VAL 32 HB VAL 32 -5.883 6.876 -3.190
214 HG11 VAL 32 1HG1 VAL 32 -7.069 7.388 -0.457
215 HG12 VAL 32 2HG1 VAL 32 -7.945 7.100 -1.956
216 HG13 VAL 32 3HG1 VAL 32 -6.934 8.532 -1.793
217 HG21 VAL 32 3HG2 VAL 32 -3.740 6.826 -2.255
218 HG22 VAL 32 1HG2 VAL 32 -4.345 6.966 -0.594
219 HG23 VAL 32 2HG2 VAL 32 -4.497 8.335 -1.710
220 HA PRO 33 HA PRO 33 -2.553 2.863 -2.655
221 HB2 PRO 33 2HB PRO 33 -1.826 3.049 -5.252
222 HB3 PRO 33 1HB PRO 33 -3.189 2.033 -4.739
223 HG2 PRO 33 2HG PRO 33 -3.237 4.566 -6.203
224 HG3 PRO 33 1HG PRO 33 -4.464 3.294 -6.104
225 HD2 PRO 33 2HD PRO 33 -4.368 5.781 -4.595
226 HD3 PRO 33 1HD PRO 33 -5.617 4.511 -4.562
227 H TYR 34 H TYR 34 -0.343 3.534 -2.073
228 HA TYR 34 HA TYR 34 0.106 6.280 -2.543
229 HB2 TYR 34 2HB TYR 34 0.915 5.923 -0.584
230 HB3 TYR 34 1HB TYR 34 1.427 4.247 -0.881
231 HD1 TYR 34 1HD TYR 34 2.439 7.871 -1.921
232 HD2 TYR 34 2HD TYR 34 3.741 3.895 -0.844
233 HE1 TYR 34 1HE TYR 34 4.622 8.519 -2.094
234 HE2 TYR 34 2HE TYR 34 6.012 4.689 -1.031
235 HH TYR 34 HH TYR 34 6.686 8.085 -1.874
236 H VAL 35 H VAL 35 0.929 7.263 -4.033
237 HA VAL 35 HA VAL 35 3.440 6.499 -5.103
238 HB VAL 35 HB VAL 35 1.903 8.091 -6.858
239 HG11 VAL 35 1HG1 VAL 35 3.412 5.598 -7.376
240 HG12 VAL 35 2HG1 VAL 35 3.962 7.276 -7.367
241 HG13 VAL 35 3HG1 VAL 35 2.825 6.735 -8.611
242 HG21 VAL 35 3HG2 VAL 35 0.004 6.694 -6.185
243 HG22 VAL 35 1HG2 VAL 35 0.851 5.254 -6.724
244 HG23 VAL 35 2HG2 VAL 35 0.362 6.480 -7.911
245 H ASP 36 H ASP 36 4.583 8.464 -4.898
246 HA ASP 36 HA ASP 36 3.020 10.905 -4.296
247 HB2 ASP 36 2HB ASP 36 5.111 11.659 -3.332
248 HB3 ASP 36 1HB ASP 36 4.506 10.181 -2.569
249 H ALA 37 H ALA 37 4.635 12.552 -4.724
250 HA ALA 37 HA ALA 37 3.314 12.892 -7.023
251 HB1 ALA 37 1HB ALA 37 3.590 14.321 -5.301
252 HB2 ALA 37 2HB ALA 37 4.048 15.176 -6.825
253 HB3 ALA 37 3HB ALA 37 5.294 14.596 -5.650
254 H GLU 38 H GLU 38 6.453 11.870 -6.156
255 HA GLU 38 HA GLU 38 7.837 12.501 -8.402
256 HB2 GLU 38 2HB GLU 38 8.198 10.742 -6.083
257 HB3 GLU 38 1HB GLU 38 9.551 11.121 -7.185
258 HG2 GLU 38 2HG GLU 38 8.070 12.861 -5.195
259 HG3 GLU 38 1HG GLU 38 9.781 12.453 -5.200
260 H GLN 39 H GLN 39 5.281 10.208 -7.711
261 HA GLN 39 HA GLN 39 4.466 8.566 -8.568
262 HB2 GLN 39 2HB GLN 39 6.572 9.212 -10.397
263 HB3 GLN 39 1HB GLN 39 5.544 7.791 -10.820
264 HG2 GLN 39 2HG GLN 39 3.618 9.339 -10.775
265 HG3 GLN 39 1HG GLN 39 4.696 10.646 -10.289
266 HE21 GLN 39 1HE2 GLN 39 6.040 11.550 -11.808
267 HE22 GLN 39 2HE2 GLN 39 5.826 11.302 -13.515
268 H LYS 40 H LYS 40 6.596 8.459 -6.590
269 HA LYS 40 HA LYS 40 7.646 5.848 -7.061
270 HB2 LYS 40 2HB LYS 40 9.181 6.430 -5.997
271 HB3 LYS 40 1HB LYS 40 8.490 8.081 -5.620
272 HG2 LYS 40 2HG LYS 40 9.287 7.290 -3.535
273 HG3 LYS 40 1HG LYS 40 7.651 6.652 -3.527
274 HD2 LYS 40 2HD LYS 40 8.447 4.466 -4.145
275 HD3 LYS 40 1HD LYS 40 10.081 5.084 -4.407
276 HE2 LYS 40 2HE LYS 40 9.935 3.946 -2.241
277 HE3 LYS 40 1HE LYS 40 10.252 5.663 -2.021
278 HZ1 LYS 40 3HZ LYS 40 7.812 5.931 -1.625
279 HZ2 LYS 40 1HZ LYS 40 8.500 4.992 -0.435
280 HZ3 LYS 40 2HZ LYS 40 7.647 4.285 -1.666
281 H ASN 41 H ASN 41 7.128 4.241 -6.271
282 HA ASN 41 HA ASN 41 4.530 4.082 -4.851
283 HB2 ASN 41 2HB ASN 41 4.751 3.586 -7.350
284 HB3 ASN 41 1HB ASN 41 5.655 2.189 -6.800
285 HD21 ASN 41 1HD2 ASN 41 2.464 3.625 -6.832
286 HD22 ASN 41 2HD2 ASN 41 1.587 2.190 -6.453
287 H LEU 42 H LEU 42 4.303 1.603 -4.223
288 HA LEU 42 HA LEU 42 6.663 0.271 -3.257
289 HB2 LEU 42 2HB LEU 42 4.646 1.399 -1.366
290 HB3 LEU 42 1HB LEU 42 5.791 0.155 -0.949
291 HG LEU 42 HG LEU 42 6.461 2.971 -1.703
292 HD11 LEU 42 1HD1 LEU 42 6.505 1.629 1.016
293 HD12 LEU 42 2HD1 LEU 42 5.151 2.553 0.420
294 HD13 LEU 42 3HD1 LEU 42 6.711 3.361 0.650
295 HD21 LEU 42 3HD2 LEU 42 8.682 2.400 -0.795
296 HD22 LEU 42 1HD2 LEU 42 8.273 1.392 -2.183
297 HD23 LEU 42 2HD2 LEU 42 8.147 0.737 -0.549
298 H PHE 43 H PHE 43 6.060 -1.819 -3.772
299 HA PHE 43 HA PHE 43 3.433 -2.595 -3.316
300 HB2 PHE 43 2HB PHE 43 5.941 -3.906 -4.210
301 HB3 PHE 43 1HB PHE 43 4.481 -4.885 -3.951
302 HD1 PHE 43 1HD PHE 43 2.441 -4.266 -5.353
303 HD2 PHE 43 2HD PHE 43 6.343 -2.797 -6.194
304 HE1 PHE 43 1HE PHE 43 1.733 -3.717 -7.642
305 HE2 PHE 43 2HE PHE 43 5.644 -2.243 -8.487
306 HZ PHE 43 HZ PHE 43 3.336 -2.704 -9.214
307 H LEU 44 H LEU 44 2.960 -4.174 -1.502
308 HA LEU 44 HA LEU 44 4.266 -3.480 0.681
309 HB2 LEU 44 2HB LEU 44 2.440 -5.820 0.208
310 HB3 LEU 44 1HB LEU 44 3.075 -5.465 1.793
311 HG LEU 44 HG LEU 44 1.281 -3.655 0.172
312 HD11 LEU 44 1HD1 LEU 44 0.148 -5.648 1.015
313 HD12 LEU 44 2HD1 LEU 44 -0.380 -4.204 1.877
314 HD13 LEU 44 3HD1 LEU 44 0.759 -5.317 2.636
315 HD21 LEU 44 3HD2 LEU 44 2.791 -2.390 1.605
316 HD22 LEU 44 1HD2 LEU 44 2.339 -3.396 2.982
317 HD23 LEU 44 2HD2 LEU 44 1.141 -2.348 2.226
318 H ARG 45 H ARG 45 5.300 -5.399 2.225
319 HA ARG 45 HA ARG 45 7.213 -6.666 0.587
320 HB2 ARG 45 2HB ARG 45 6.848 -6.190 3.419
321 HB3 ARG 45 1HB ARG 45 8.190 -7.264 2.894
322 HG2 ARG 45 2HG ARG 45 7.744 -4.283 2.437
323 HG3 ARG 45 1HG ARG 45 9.066 -5.034 3.321
324 HD2 ARG 45 2HD ARG 45 9.989 -4.316 1.246
325 HD3 ARG 45 1HD ARG 45 9.788 -6.058 1.099
326 HE ARG 45 HE ARG 45 7.500 -4.737 0.085
327 HH11 ARG 45 1HH1 ARG 45 10.860 -5.360 -0.829
328 HH12 ARG 45 2HH1 ARG 45 10.585 -5.237 -2.497
329 HH21 ARG 45 1HH2 ARG 45 7.103 -4.549 -2.132
330 HH22 ARG 45 2HH2 ARG 45 8.325 -4.751 -3.299
331 H LYS 46 H LYS 46 7.853 -8.899 1.133
332 HA LYS 46 HA LYS 46 5.724 -10.596 0.400
333 HB2 LYS 46 2HB LYS 46 8.339 -10.676 -0.033
334 HB3 LYS 46 1HB LYS 46 8.346 -11.597 1.445
335 HG2 LYS 46 2HG LYS 46 6.793 -12.370 -1.027
336 HG3 LYS 46 1HG LYS 46 8.392 -12.969 -0.622
337 HD2 LYS 46 2HD LYS 46 7.455 -13.952 1.446
338 HD3 LYS 46 1HD LYS 46 5.857 -13.385 0.961
339 HE2 LYS 46 2HE LYS 46 7.589 -15.319 -0.587
340 HE3 LYS 46 1HE LYS 46 6.194 -15.754 0.394
341 HZ1 LYS 46 3HZ LYS 46 4.811 -14.440 -1.050
342 HZ2 LYS 46 1HZ LYS 46 5.548 -15.665 -1.880
343 HZ3 LYS 46 2HZ LYS 46 6.100 -14.078 -2.102
344 H GLY 47 H GLY 47 4.276 -11.512 1.582
345 HA2 GLY 47 2HA GLY 47 3.542 -13.049 3.157
346 HA3 GLY 47 1HA GLY 47 5.023 -12.801 4.097
347 H LYS 48 H LYS 48 3.289 -10.062 2.935
348 HA LYS 48 HA LYS 48 2.338 -9.621 5.647
349 HB2 LYS 48 2HB LYS 48 3.066 -7.971 3.395
350 HB3 LYS 48 1HB LYS 48 1.603 -7.379 4.188
351 HG2 LYS 48 2HG LYS 48 3.201 -6.176 5.361
352 HG3 LYS 48 1HG LYS 48 3.115 -7.606 6.366
353 HD2 LYS 48 2HD LYS 48 5.201 -7.079 4.238
354 HD3 LYS 48 1HD LYS 48 5.436 -6.785 5.952
355 HE2 LYS 48 2HE LYS 48 5.003 -9.451 4.597
356 HE3 LYS 48 1HE LYS 48 6.521 -8.845 5.242
357 HZ1 LYS 48 3HZ LYS 48 5.485 -10.449 6.676
358 HZ2 LYS 48 1HZ LYS 48 4.095 -9.525 6.813
359 HZ3 LYS 48 2HZ LYS 48 5.557 -8.960 7.479
360 HA PRO 49 HA PRO 49 -1.712 -10.963 4.490
361 HB2 PRO 49 2HB PRO 49 -2.887 -8.931 6.272
362 HB3 PRO 49 1HB PRO 49 -2.954 -10.701 6.404
363 HG2 PRO 49 2HG PRO 49 -1.516 -9.263 8.106
364 HG3 PRO 49 1HG PRO 49 -0.971 -10.852 7.531
365 HD2 PRO 49 2HD PRO 49 -0.073 -8.140 6.661
366 HD3 PRO 49 1HD PRO 49 0.876 -9.609 6.982
367 H CYS 50 H CYS 50 -2.912 -10.494 2.760
368 HA CYS 50 HA CYS 50 -3.578 -7.744 2.264
369 HB2 CYS 50 2HB CYS 50 -3.398 -8.138 -0.152
370 HB3 CYS 50 1HB CYS 50 -1.888 -8.589 0.625
371 H THR 51 H THR 51 -5.411 -8.440 0.123
372 HA THR 51 HA THR 51 -7.774 -8.934 1.476
373 HB THR 51 HB THR 51 -8.560 -9.570 -0.920
374 HG1 THR 51 1HG THR 51 -6.143 -8.351 -1.643
375 HG21 THR 51 3HG2 THR 51 -8.822 -7.350 0.165
376 HG22 THR 51 1HG2 THR 51 -8.492 -7.252 -1.581
377 HG23 THR 51 2HG2 THR 51 -7.187 -6.970 -0.435
378 H VAL 52 H VAL 52 -6.402 -10.990 -0.884
379 HA VAL 52 HA VAL 52 -8.023 -13.223 -0.073
380 HB VAL 52 HB VAL 52 -7.146 -14.410 -2.029
381 HG11 VAL 52 1HG1 VAL 52 -8.058 -12.815 -3.719
382 HG12 VAL 52 2HG1 VAL 52 -8.079 -11.571 -2.453
383 HG13 VAL 52 3HG1 VAL 52 -9.077 -13.011 -2.293
384 HG21 VAL 52 3HG2 VAL 52 -5.598 -13.404 -3.551
385 HG22 VAL 52 1HG2 VAL 52 -4.851 -13.382 -1.964
386 HG23 VAL 52 2HG2 VAL 52 -5.553 -11.901 -2.661
387 H GLY 53 H GLY 53 -4.832 -12.346 0.746
388 HA2 GLY 53 2HA GLY 53 -4.484 -14.447 2.425
389 HA3 GLY 53 1HA GLY 53 -3.711 -14.887 0.892
390 H PHE 54 H PHE 54 -1.653 -14.419 0.807
391 HA PHE 54 HA PHE 54 -0.719 -12.173 2.444
392 HB2 PHE 54 2HB PHE 54 0.797 -14.674 1.677
393 HB3 PHE 54 1HB PHE 54 1.553 -13.275 2.430
394 HD1 PHE 54 1HD PHE 54 0.930 -12.627 4.725
395 HD2 PHE 54 2HD PHE 54 -0.475 -16.228 2.945
396 HE1 PHE 54 1HE PHE 54 0.341 -13.489 6.950
397 HE2 PHE 54 2HE PHE 54 -1.068 -17.098 5.168
398 HZ PHE 54 HZ PHE 54 -0.661 -15.727 7.175
399 H CYS 55 H CYS 55 0.921 -10.936 1.669
400 HA CYS 55 HA CYS 55 0.608 -10.372 -1.165
401 HB2 CYS 55 2HB CYS 55 0.175 -8.654 0.549
402 HB3 CYS 55 1HB CYS 55 1.841 -8.887 1.089
403 H ASP 56 H ASP 56 2.240 -10.766 -2.554
404 HA ASP 56 HA ASP 56 4.883 -11.257 -1.464
405 HB2 ASP 56 2HB ASP 56 4.011 -12.987 -3.005
406 HB3 ASP 56 1HB ASP 56 3.765 -11.763 -4.249
407 H MET 57 H MET 57 6.664 -10.300 -2.956
408 HA MET 57 HA MET 57 6.371 -7.459 -2.795
409 HB2 MET 57 2HB MET 57 8.627 -9.088 -3.950
410 HB3 MET 57 1HB MET 57 8.679 -7.351 -3.682
411 HG2 MET 57 2HG MET 57 8.320 -7.754 -1.273
412 HG3 MET 57 1HG MET 57 8.375 -9.484 -1.601
413 HE1 MET 57 3HE MET 57 12.090 -9.988 -2.762
414 HE2 MET 57 1HE MET 57 10.699 -9.687 -3.803
415 HE3 MET 57 2HE MET 57 10.549 -10.776 -2.424
416 H ASN 58 H ASN 58 5.764 -9.683 -5.251
417 HA ASN 58 HA ASN 58 6.036 -7.831 -7.460
418 HB2 ASN 58 2HB ASN 58 4.860 -10.610 -7.275
419 HB3 ASN 58 1HB ASN 58 4.873 -9.670 -8.760
420 HD21 ASN 58 1HD2 ASN 58 6.834 -11.417 -6.431
421 HD22 ASN 58 2HD2 ASN 58 8.228 -11.494 -7.448
422 H GLY 59 H GLY 59 3.860 -7.957 -5.016
423 HA2 GLY 59 2HA GLY 59 1.873 -6.751 -4.782
424 HA3 GLY 59 1HA GLY 59 1.911 -6.429 -6.515
425 H LYS 60 H LYS 60 2.378 -9.616 -5.703
426 HA LYS 60 HA LYS 60 -0.432 -10.377 -6.384
427 HB2 LYS 60 2HB LYS 60 2.233 -11.638 -6.899
428 HB3 LYS 60 1HB LYS 60 0.822 -12.640 -6.677
429 HG2 LYS 60 2HG LYS 60 1.279 -12.368 -9.057
430 HG3 LYS 60 1HG LYS 60 -0.239 -11.602 -8.594
431 HD2 LYS 60 2HD LYS 60 2.218 -9.899 -8.691
432 HD3 LYS 60 1HD LYS 60 1.506 -10.399 -10.225
433 HE2 LYS 60 2HE LYS 60 -0.583 -9.364 -9.661
434 HE3 LYS 60 1HE LYS 60 -0.047 -9.066 -8.013
435 HZ1 LYS 60 3HZ LYS 60 0.938 -7.714 -10.476
436 HZ2 LYS 60 1HZ LYS 60 1.638 -7.541 -8.919
437 HZ3 LYS 60 2HZ LYS 60 0.028 -7.106 -9.192
438 H CYS 61 H CYS 61 -1.383 -11.790 -5.390
439 HA CYS 61 HA CYS 61 -0.486 -12.018 -2.654
440 HB2 CYS 61 2HB CYS 61 -2.949 -11.577 -4.050
441 HB3 CYS 61 1HB CYS 61 -3.125 -12.457 -2.491
442 H GLU 62 H GLU 62 -0.546 -13.934 -1.676
443 HA GLU 62 HA GLU 62 -0.832 -16.250 -3.336
444 HB2 GLU 62 2HB GLU 62 1.071 -17.166 -2.042
445 HB3 GLU 62 1HB GLU 62 1.462 -15.634 -2.819
446 HG2 GLU 62 2HG GLU 62 0.933 -14.547 -0.572
447 HG3 GLU 62 1HG GLU 62 1.028 -16.174 0.094
Start of MODEL 7
1 H PHE 1 1HT PHE 1 7.152 5.831 3.196
2 HA PHE 1 HA PHE 1 6.043 4.405 1.860
3 HB2 PHE 1 2HB PHE 1 4.432 3.528 4.280
4 HB3 PHE 1 1HB PHE 1 4.168 2.992 2.644
5 HD1 PHE 1 1HD PHE 1 6.322 2.938 5.449
6 HD2 PHE 1 2HD PHE 1 5.364 1.126 1.771
7 HE1 PHE 1 1HE PHE 1 7.820 0.987 6.039
8 HE2 PHE 1 2HE PHE 1 6.818 -0.797 2.283
9 HZ PHE 1 HZ PHE 1 8.050 -0.872 4.424
10 H CYS 2 H CYS 2 4.039 5.293 4.603
11 HA CYS 2 HA CYS 2 2.759 7.097 2.732
12 HB2 CYS 2 2HB CYS 2 1.427 5.149 3.441
13 HB3 CYS 2 1HB CYS 2 1.460 5.779 5.087
14 H GLU 3 H GLU 3 3.822 6.701 6.037
15 HA GLU 3 HA GLU 3 2.914 8.963 7.309
16 HB2 GLU 3 2HB GLU 3 5.561 8.584 8.254
17 HB3 GLU 3 1HB GLU 3 4.072 8.065 9.003
18 HG2 GLU 3 2HG GLU 3 5.798 6.278 8.777
19 HG3 GLU 3 1HG GLU 3 4.260 5.881 8.027
20 H ARG 4 H ARG 4 6.290 8.759 6.165
21 HA ARG 4 HA ARG 4 6.584 11.526 6.258
22 HB2 ARG 4 2HB ARG 4 8.471 10.007 6.541
23 HB3 ARG 4 1HB ARG 4 8.275 9.414 4.912
24 HG2 ARG 4 2HG ARG 4 8.899 12.315 5.284
25 HG3 ARG 4 1HG ARG 4 10.183 11.159 5.596
26 HD2 ARG 4 2HD ARG 4 10.563 11.764 3.353
27 HD3 ARG 4 1HD ARG 4 9.631 10.288 3.175
28 HE ARG 4 HE ARG 4 7.989 12.631 3.153
29 HH11 ARG 4 1HH1 ARG 4 9.991 10.595 0.995
30 HH12 ARG 4 2HH1 ARG 4 9.158 11.120 -0.413
31 HH21 ARG 4 1HH2 ARG 4 6.932 13.316 1.143
32 HH22 ARG 4 2HH2 ARG 4 7.434 12.655 -0.335
33 H GLU 5 H GLU 5 5.780 9.248 3.850
34 HA GLU 5 HA GLU 5 6.611 10.895 1.704
35 HB2 GLU 5 2HB GLU 5 5.188 8.294 1.525
36 HB3 GLU 5 1HB GLU 5 6.224 9.040 0.299
37 HG2 GLU 5 2HG GLU 5 8.047 8.903 2.268
38 HG3 GLU 5 1HG GLU 5 6.911 7.661 2.819
39 H GLN 6 H GLN 6 3.445 10.276 3.109
40 HA GLN 6 HA GLN 6 2.334 12.026 0.989
41 HB2 GLN 6 2HB GLN 6 0.965 9.869 2.563
42 HB3 GLN 6 1HB GLN 6 0.239 10.917 1.356
43 HG2 GLN 6 2HG GLN 6 2.449 8.987 0.785
44 HG3 GLN 6 1HG GLN 6 0.671 8.679 0.686
45 HE21 GLN 6 1HE2 GLN 6 3.272 10.690 -0.639
46 HE22 GLN 6 2HE2 GLN 6 2.467 10.910 -2.153
47 H GLN 7 H GLN 7 3.005 11.490 4.288
48 HA GLN 7 HA GLN 7 2.433 12.130 6.112
49 HB2 GLN 7 2HB GLN 7 1.328 14.551 4.681
50 HB3 GLN 7 1HB GLN 7 1.523 14.477 6.431
51 HG2 GLN 7 2HG GLN 7 3.895 14.144 6.193
52 HG3 GLN 7 1HG GLN 7 3.733 14.085 4.445
53 HE21 GLN 7 1HE2 GLN 7 1.951 16.332 6.428
54 HE22 GLN 7 2HE2 GLN 7 2.799 17.756 5.913
55 H LEU 8 H LEU 8 0.695 10.534 4.625
56 HA LEU 8 HA LEU 8 -2.039 10.922 5.721
57 HB2 LEU 8 2HB LEU 8 -1.005 9.170 3.513
58 HB3 LEU 8 1HB LEU 8 -2.650 9.199 4.109
59 HG LEU 8 HG LEU 8 -1.293 11.557 3.000
60 HD11 LEU 8 1HD1 LEU 8 -3.097 9.578 1.526
61 HD12 LEU 8 2HD1 LEU 8 -1.360 9.730 1.266
62 HD13 LEU 8 3HD1 LEU 8 -2.442 11.058 0.821
63 HD21 LEU 8 3HD2 LEU 8 -3.236 12.082 4.296
64 HD22 LEU 8 1HD2 LEU 8 -4.203 10.901 3.412
65 HD23 LEU 8 2HD2 LEU 8 -3.618 12.351 2.597
66 H GLU 9 H GLU 9 -2.987 8.968 6.036
67 HA GLU 9 HA GLU 9 -1.516 7.417 8.055
68 HB2 GLU 9 2HB GLU 9 -4.009 8.287 8.155
69 HB3 GLU 9 1HB GLU 9 -4.177 6.926 7.029
70 HG2 GLU 9 2HG GLU 9 -3.574 5.342 8.665
71 HG3 GLU 9 1HG GLU 9 -3.231 6.619 9.844
72 H SER 10 H SER 10 -1.015 5.279 7.626
73 HA SER 10 HA SER 10 -0.929 4.453 4.949
74 HB2 SER 10 2HB SER 10 0.148 2.596 5.913
75 HB3 SER 10 1HB SER 10 0.681 4.220 6.559
76 HG SER 10 HG SER 10 -1.304 2.990 8.000
77 H CYS 11 H CYS 11 -2.083 2.535 4.174
78 HA CYS 11 HA CYS 11 -3.920 1.216 5.933
79 HB2 CYS 11 2HB CYS 11 -6.024 1.919 4.974
80 HB3 CYS 11 1HB CYS 11 -5.131 3.417 5.070
81 H ALA 12 H ALA 12 -5.270 -0.389 4.436
82 HA ALA 12 HA ALA 12 -3.534 -1.240 2.248
83 HB1 ALA 12 1HB ALA 12 -3.310 -2.786 4.152
84 HB2 ALA 12 2HB ALA 12 -4.145 -3.564 2.809
85 HB3 ALA 12 3HB ALA 12 -5.062 -2.984 4.199
86 H CYS 13 H CYS 13 -4.593 -1.394 0.370
87 HA CYS 13 HA CYS 13 -7.288 -0.562 0.220
88 HB2 CYS 13 2HB CYS 13 -5.440 -1.714 -1.871
89 HB3 CYS 13 1HB CYS 13 -7.017 -1.035 -2.207
90 H ASN 14 H ASN 14 -9.069 -1.612 0.296
91 HA ASN 14 HA ASN 14 -9.367 -4.268 1.078
92 HB2 ASN 14 2HB ASN 14 -11.057 -2.454 1.372
93 HB3 ASN 14 1HB ASN 14 -11.374 -2.539 -0.358
94 HD21 ASN 14 1HD2 ASN 14 -12.664 -4.236 -1.161
95 HD22 ASN 14 2HD2 ASN 14 -13.495 -5.316 -0.095
96 H GLU 15 H GLU 15 -9.038 -2.937 -2.108
97 HA GLU 15 HA GLU 15 -10.172 -4.942 -3.536
98 HB2 GLU 15 2HB GLU 15 -9.575 -2.636 -4.365
99 HB3 GLU 15 1HB GLU 15 -7.892 -3.123 -4.321
100 HG2 GLU 15 2HG GLU 15 -9.941 -4.456 -6.076
101 HG3 GLU 15 1HG GLU 15 -8.951 -3.093 -6.593
102 H THR 16 H THR 16 -9.134 -6.846 -4.408
103 HA THR 16 HA THR 16 -7.548 -8.295 -2.700
104 HB THR 16 HB THR 16 -8.083 -8.664 -5.631
105 HG1 THR 16 1HG THR 16 -9.502 -8.990 -3.362
106 HG21 THR 16 3HG2 THR 16 -7.386 -10.993 -5.345
107 HG22 THR 16 1HG2 THR 16 -7.068 -10.713 -3.627
108 HG23 THR 16 2HG2 THR 16 -6.070 -9.918 -4.838
109 H ASP 17 H ASP 17 -6.488 -6.800 -5.734
110 HA ASP 17 HA ASP 17 -3.918 -7.895 -5.305
111 HB2 ASP 17 2HB ASP 17 -4.726 -7.607 -7.551
112 HB3 ASP 17 1HB ASP 17 -4.915 -5.873 -7.204
113 H ASN 18 H ASN 18 -5.510 -4.784 -4.919
114 HA ASN 18 HA ASN 18 -3.071 -3.464 -4.411
115 HB2 ASN 18 2HB ASN 18 -5.913 -2.531 -4.447
116 HB3 ASN 18 1HB ASN 18 -4.635 -1.502 -3.799
117 HD21 ASN 18 1HD2 ASN 18 -5.763 -3.182 -6.666
118 HD22 ASN 18 2HD2 ASN 18 -4.871 -2.229 -7.793
119 H SER 19 H SER 19 -4.671 -5.541 -2.577
120 HA SER 19 HA SER 19 -4.227 -4.280 -0.039
121 HB2 SER 19 2HB SER 19 -4.298 -7.271 -0.663
122 HB3 SER 19 1HB SER 19 -4.412 -6.567 0.920
123 HG SER 19 HG SER 19 -6.213 -5.360 -0.552
124 H CYS 20 H CYS 20 -2.215 -5.512 -2.440
125 HA CYS 20 HA CYS 20 0.017 -5.813 -0.586
126 HB2 CYS 20 2HB CYS 20 -0.349 -6.727 -3.415
127 HB3 CYS 20 1HB CYS 20 1.122 -7.020 -2.506
128 H LYS 21 H LYS 21 -1.277 -3.303 -1.998
129 HA LYS 21 HA LYS 21 1.298 -1.975 -2.545
130 HB2 LYS 21 2HB LYS 21 -1.464 -1.604 -3.674
131 HB3 LYS 21 1HB LYS 21 -0.246 -0.337 -3.694
132 HG2 LYS 21 2HG LYS 21 -0.193 -1.271 -5.846
133 HG3 LYS 21 1HG LYS 21 1.176 -1.957 -4.952
134 HD2 LYS 21 2HD LYS 21 -0.051 -4.038 -4.634
135 HD3 LYS 21 1HD LYS 21 -1.442 -3.351 -5.485
136 HE2 LYS 21 2HE LYS 21 -0.132 -3.098 -7.507
137 HE3 LYS 21 1HE LYS 21 1.299 -3.703 -6.682
138 HZ1 LYS 21 3HZ LYS 21 0.290 -5.455 -8.008
139 HZ2 LYS 21 1HZ LYS 21 -1.187 -5.222 -7.271
140 HZ3 LYS 21 2HZ LYS 21 0.084 -5.844 -6.389
141 H VAL 22 H VAL 22 1.604 -0.195 -2.055
142 HA VAL 22 HA VAL 22 0.859 0.160 0.653
143 HB VAL 22 HB VAL 22 2.640 1.785 -1.130
144 HG11 VAL 22 1HG1 VAL 22 1.685 3.037 0.659
145 HG12 VAL 22 2HG1 VAL 22 3.429 2.804 0.898
146 HG13 VAL 22 3HG1 VAL 22 2.247 1.859 1.853
147 HG21 VAL 22 3HG2 VAL 22 3.207 -0.399 0.908
148 HG22 VAL 22 1HG2 VAL 22 4.450 0.574 0.116
149 HG23 VAL 22 2HG2 VAL 22 3.360 -0.539 -0.802
150 H CYS 23 H CYS 23 -0.924 0.813 0.860
151 HA CYS 23 HA CYS 23 -1.964 3.133 -0.629
152 HB2 CYS 23 2HB CYS 23 -3.507 1.426 1.269
153 HB3 CYS 23 1HB CYS 23 -4.067 2.604 0.062
154 H CYS 24 H CYS 24 -3.337 4.628 0.572
155 HA CYS 24 HA CYS 24 -2.355 5.326 3.176
156 HB2 CYS 24 2HB CYS 24 -2.388 6.969 0.658
157 HB3 CYS 24 1HB CYS 24 -2.374 7.691 2.266
158 H ARG 25 H ARG 25 -3.887 6.975 4.088
159 HA ARG 25 HA ARG 25 -6.526 6.171 3.162
160 HB2 ARG 25 2HB ARG 25 -5.424 5.310 5.397
161 HB3 ARG 25 1HB ARG 25 -5.850 6.915 5.951
162 HG2 ARG 25 2HG ARG 25 -7.939 5.426 4.609
163 HG3 ARG 25 1HG ARG 25 -7.440 4.814 6.198
164 HD2 ARG 25 2HD ARG 25 -8.351 7.635 5.509
165 HD3 ARG 25 1HD ARG 25 -9.331 6.427 6.346
166 HE ARG 25 HE ARG 25 -7.185 6.576 7.928
167 HH11 ARG 25 1HH1 ARG 25 -9.071 9.206 6.495
168 HH12 ARG 25 2HH1 ARG 25 -8.973 10.227 7.855
169 HH21 ARG 25 1HH2 ARG 25 -6.941 7.950 9.733
170 HH22 ARG 25 2HH2 ARG 25 -7.672 9.478 9.815
171 H ASP 26 H ASP 26 -7.813 7.793 2.628
172 HA ASP 26 HA ASP 26 -6.687 10.437 2.808
173 HB2 ASP 26 2HB ASP 26 -7.870 10.924 0.879
174 HB3 ASP 26 1HB ASP 26 -7.618 9.195 0.653
175 H LEU 27 H LEU 27 -8.689 11.864 2.647
176 HA LEU 27 HA LEU 27 -9.423 12.194 5.280
177 HB2 LEU 27 2HB LEU 27 -10.598 13.772 3.030
178 HB3 LEU 27 1HB LEU 27 -10.392 14.297 4.691
179 HG LEU 27 HG LEU 27 -7.831 13.838 3.998
180 HD11 LEU 27 1HD1 LEU 27 -8.334 13.191 1.725
181 HD12 LEU 27 2HD1 LEU 27 -7.399 14.685 1.754
182 HD13 LEU 27 3HD1 LEU 27 -9.135 14.734 1.447
183 HD21 LEU 27 3HD2 LEU 27 -8.671 15.895 5.009
184 HD22 LEU 27 1HD2 LEU 27 -9.380 16.376 3.466
185 HD23 LEU 27 2HD2 LEU 27 -7.628 16.268 3.636
186 H SER 28 H SER 28 -11.148 11.014 2.479
187 HA SER 28 HA SER 28 -13.682 11.184 3.697
188 HB2 SER 28 2HB SER 28 -13.327 11.296 1.221
189 HB3 SER 28 1HB SER 28 -12.790 9.622 1.241
190 HG SER 28 HG SER 28 -15.329 10.682 1.830
191 H GLY 29 H GLY 29 -10.976 9.197 3.781
192 HA2 GLY 29 2HA GLY 29 -10.532 7.572 5.061
193 HA3 GLY 29 1HA GLY 29 -12.237 7.270 5.470
194 H ARG 30 H ARG 30 -10.710 7.418 2.270
195 HA ARG 30 HA ARG 30 -11.395 4.622 1.785
196 HB2 ARG 30 2HB ARG 30 -11.006 7.020 0.003
197 HB3 ARG 30 1HB ARG 30 -10.711 5.423 -0.633
198 HG2 ARG 30 2HG ARG 30 -12.901 6.220 -1.292
199 HG3 ARG 30 1HG ARG 30 -13.060 4.832 -0.234
200 HD2 ARG 30 2HD ARG 30 -13.304 7.659 0.767
201 HD3 ARG 30 1HD ARG 30 -14.676 6.786 0.091
202 HE ARG 30 HE ARG 30 -13.290 5.390 2.178
203 HH11 ARG 30 1HH1 ARG 30 -15.708 7.869 1.612
204 HH12 ARG 30 2HH1 ARG 30 -16.593 7.573 3.036
205 HH21 ARG 30 1HH2 ARG 30 -14.424 4.971 4.145
206 HH22 ARG 30 2HH2 ARG 30 -15.830 5.851 4.545
207 H CYS 31 H CYS 31 -9.723 3.691 0.157
208 HA CYS 31 HA CYS 31 -7.093 4.337 1.182
209 HB2 CYS 31 2HB CYS 31 -8.305 1.739 0.382
210 HB3 CYS 31 1HB CYS 31 -6.565 1.968 0.227
211 H VAL 32 H VAL 32 -5.858 5.333 -0.063
212 HA VAL 32 HA VAL 32 -6.186 4.979 -2.829
213 HB VAL 32 HB VAL 32 -4.831 7.261 -2.894
214 HG11 VAL 32 1HG1 VAL 32 -7.764 7.032 -2.242
215 HG12 VAL 32 2HG1 VAL 32 -6.979 6.820 -3.815
216 HG13 VAL 32 3HG1 VAL 32 -6.978 8.415 -3.042
217 HG21 VAL 32 3HG2 VAL 32 -4.661 7.166 -0.355
218 HG22 VAL 32 1HG2 VAL 32 -6.359 7.615 -0.284
219 HG23 VAL 32 2HG2 VAL 32 -5.196 8.715 -1.028
220 HA PRO 33 HA PRO 33 -2.111 3.181 -2.728
221 HB2 PRO 33 2HB PRO 33 -1.395 3.694 -5.337
222 HB3 PRO 33 1HB PRO 33 -2.490 2.373 -4.879
223 HG2 PRO 33 2HG PRO 33 -3.167 5.064 -5.949
224 HG3 PRO 33 1HG PRO 33 -3.886 3.485 -6.327
225 HD2 PRO 33 2HD PRO 33 -5.122 5.212 -4.641
226 HD3 PRO 33 1HD PRO 33 -5.176 3.453 -4.415
227 H TYR 34 H TYR 34 -0.221 4.090 -1.934
228 HA TYR 34 HA TYR 34 0.098 6.892 -1.935
229 HB2 TYR 34 2HB TYR 34 1.299 6.309 -0.217
230 HB3 TYR 34 1HB TYR 34 1.407 4.616 -0.724
231 HD1 TYR 34 1HD TYR 34 3.055 8.048 -1.224
232 HD2 TYR 34 2HD TYR 34 3.683 3.751 -1.370
233 HE1 TYR 34 1HE TYR 34 5.233 8.334 -1.544
234 HE2 TYR 34 2HE TYR 34 5.992 4.235 -1.718
235 HH TYR 34 HH TYR 34 7.454 6.805 -1.038
236 H VAL 35 H VAL 35 1.260 8.346 -3.216
237 HA VAL 35 HA VAL 35 3.327 7.229 -4.833
238 HB VAL 35 HB VAL 35 2.194 9.506 -5.992
239 HG11 VAL 35 1HG1 VAL 35 2.701 6.804 -7.104
240 HG12 VAL 35 2HG1 VAL 35 3.752 8.227 -7.034
241 HG13 VAL 35 3HG1 VAL 35 2.316 8.250 -8.064
242 HG21 VAL 35 3HG2 VAL 35 0.104 8.620 -7.000
243 HG22 VAL 35 1HG2 VAL 35 0.014 8.745 -5.241
244 HG23 VAL 35 2HG2 VAL 35 0.267 7.172 -6.001
245 H ASP 36 H ASP 36 5.111 8.416 -4.549
246 HA ASP 36 HA ASP 36 4.715 11.143 -3.452
247 HB2 ASP 36 2HB ASP 36 5.583 10.058 -1.679
248 HB3 ASP 36 1HB ASP 36 6.744 9.052 -2.595
249 H ALA 37 H ALA 37 6.130 12.360 -3.664
250 HA ALA 37 HA ALA 37 5.130 13.454 -5.747
251 HB1 ALA 37 1HB ALA 37 6.344 14.289 -4.002
252 HB2 ALA 37 2HB ALA 37 6.616 15.233 -5.506
253 HB3 ALA 37 3HB ALA 37 7.871 14.112 -4.865
254 H GLU 38 H GLU 38 7.962 11.457 -6.166
255 HA GLU 38 HA GLU 38 8.666 12.203 -8.684
256 HB2 GLU 38 2HB GLU 38 9.113 9.916 -6.913
257 HB3 GLU 38 1HB GLU 38 10.050 10.092 -8.419
258 HG2 GLU 38 2HG GLU 38 10.054 11.806 -5.919
259 HG3 GLU 38 1HG GLU 38 11.378 10.820 -6.532
260 H GLN 39 H GLN 39 5.841 10.661 -7.546
261 HA GLN 39 HA GLN 39 4.269 9.558 -8.250
262 HB2 GLN 39 2HB GLN 39 5.894 9.762 -10.605
263 HB3 GLN 39 1HB GLN 39 4.247 9.024 -10.767
264 HG2 GLN 39 2HG GLN 39 5.097 11.758 -9.859
265 HG3 GLN 39 1HG GLN 39 4.274 11.450 -11.410
266 HE21 GLN 39 1HE2 GLN 39 3.603 13.235 -9.243
267 HE22 GLN 39 2HE2 GLN 39 2.034 12.754 -8.666
268 H LYS 40 H LYS 40 6.472 8.474 -6.983
269 HA LYS 40 HA LYS 40 6.673 5.795 -7.939
270 HB2 LYS 40 2HB LYS 40 8.218 5.521 -6.211
271 HB3 LYS 40 1HB LYS 40 8.446 7.028 -7.219
272 HG2 LYS 40 2HG LYS 40 7.685 8.371 -5.398
273 HG3 LYS 40 1HG LYS 40 7.445 6.911 -4.419
274 HD2 LYS 40 2HD LYS 40 9.776 6.435 -4.355
275 HD3 LYS 40 1HD LYS 40 10.124 7.612 -5.618
276 HE2 LYS 40 2HE LYS 40 10.833 8.467 -3.475
277 HE3 LYS 40 1HE LYS 40 9.479 9.414 -4.079
278 HZ1 LYS 40 3HZ LYS 40 8.114 7.746 -2.573
279 HZ2 LYS 40 1HZ LYS 40 8.889 9.099 -1.951
280 HZ3 LYS 40 2HZ LYS 40 9.549 7.583 -1.764
281 H ASN 41 H ASN 41 5.940 4.078 -6.989
282 HA ASN 41 HA ASN 41 4.078 4.263 -4.743
283 HB2 ASN 41 2HB ASN 41 2.982 4.101 -7.023
284 HB3 ASN 41 1HB ASN 41 3.987 2.664 -7.225
285 HD21 ASN 41 1HD2 ASN 41 1.363 3.949 -5.209
286 HD22 ASN 41 2HD2 ASN 41 0.615 2.413 -4.920
287 H LEU 42 H LEU 42 3.716 1.571 -4.437
288 HA LEU 42 HA LEU 42 6.309 0.245 -4.311
289 HB2 LEU 42 2HB LEU 42 4.794 0.963 -1.850
290 HB3 LEU 42 1HB LEU 42 6.174 -0.102 -1.918
291 HG LEU 42 HG LEU 42 6.241 2.760 -2.651
292 HD11 LEU 42 1HD1 LEU 42 7.131 3.058 -0.281
293 HD12 LEU 42 2HD1 LEU 42 6.706 1.356 0.007
294 HD13 LEU 42 3HD1 LEU 42 5.446 2.526 -0.395
295 HD21 LEU 42 3HD2 LEU 42 8.410 0.809 -1.845
296 HD22 LEU 42 1HD2 LEU 42 8.665 2.519 -2.188
297 HD23 LEU 42 2HD2 LEU 42 8.126 1.436 -3.470
298 H PHE 43 H PHE 43 6.089 -1.917 -3.767
299 HA PHE 43 HA PHE 43 3.491 -2.923 -3.592
300 HB2 PHE 43 2HB PHE 43 6.206 -4.036 -4.025
301 HB3 PHE 43 1HB PHE 43 4.781 -5.088 -3.939
302 HD1 PHE 43 2HD PHE 43 3.035 -4.796 -5.772
303 HD2 PHE 43 1HD PHE 43 6.874 -2.973 -5.963
304 HE1 PHE 43 2HE PHE 43 2.764 -4.478 -8.199
305 HE2 PHE 43 1HE PHE 43 6.608 -2.653 -8.385
306 HZ PHE 43 HZ PHE 43 4.550 -3.406 -9.505
307 H LEU 44 H LEU 44 2.930 -3.869 -1.537
308 HA LEU 44 HA LEU 44 4.337 -3.182 0.579
309 HB2 LEU 44 2HB LEU 44 2.025 -4.985 0.216
310 HB3 LEU 44 1HB LEU 44 2.825 -5.018 1.772
311 HG LEU 44 HG LEU 44 1.655 -2.529 0.497
312 HD11 LEU 44 1HD1 LEU 44 -0.074 -4.136 1.134
313 HD12 LEU 44 2HD1 LEU 44 -0.071 -2.738 2.211
314 HD13 LEU 44 3HD1 LEU 44 0.637 -4.263 2.743
315 HD21 LEU 44 3HD2 LEU 44 2.721 -3.030 3.276
316 HD22 LEU 44 1HD2 LEU 44 2.003 -1.533 2.693
317 HD23 LEU 44 2HD2 LEU 44 3.544 -2.088 2.040
318 H ARG 45 H ARG 45 4.694 -5.129 2.389
319 HA ARG 45 HA ARG 45 7.072 -6.329 1.594
320 HB2 ARG 45 2HB ARG 45 5.325 -6.451 3.919
321 HB3 ARG 45 1HB ARG 45 6.942 -7.252 3.952
322 HG2 ARG 45 2HG ARG 45 6.152 -4.310 3.837
323 HG3 ARG 45 1HG ARG 45 7.043 -5.117 5.120
324 HD2 ARG 45 2HD ARG 45 8.078 -4.669 2.306
325 HD3 ARG 45 1HD ARG 45 8.441 -3.647 3.686
326 HE ARG 45 HE ARG 45 9.149 -6.215 4.402
327 HH11 ARG 45 1HH1 ARG 45 10.142 -3.833 1.969
328 HH12 ARG 45 2HH1 ARG 45 11.764 -4.317 1.891
329 HH21 ARG 45 1HH2 ARG 45 11.456 -6.921 4.327
330 HH22 ARG 45 2HH2 ARG 45 12.525 -6.136 3.280
331 H LYS 46 H LYS 46 7.495 -8.673 2.048
332 HA LYS 46 HA LYS 46 5.561 -10.109 0.425
333 HB2 LYS 46 2HB LYS 46 8.514 -10.510 0.885
334 HB3 LYS 46 1HB LYS 46 7.524 -11.701 0.056
335 HG2 LYS 46 2HG LYS 46 8.673 -10.323 -1.561
336 HG3 LYS 46 1HG LYS 46 6.941 -10.011 -1.650
337 HD2 LYS 46 2HD LYS 46 7.450 -7.985 -0.139
338 HD3 LYS 46 1HD LYS 46 9.141 -8.264 -0.554
339 HE2 LYS 46 2HE LYS 46 8.227 -6.604 -2.056
340 HE3 LYS 46 1HE LYS 46 8.527 -8.088 -2.958
341 HZ1 LYS 46 3HZ LYS 46 6.387 -7.236 -3.587
342 HZ2 LYS 46 1HZ LYS 46 5.898 -7.112 -1.965
343 HZ3 LYS 46 2HZ LYS 46 6.134 -8.628 -2.682
344 H GLY 47 H GLY 47 4.686 -12.007 0.841
345 HA2 GLY 47 2HA GLY 47 3.751 -13.687 2.044
346 HA3 GLY 47 1HA GLY 47 5.272 -13.790 2.979
347 H LYS 48 H LYS 48 2.916 -11.270 2.450
348 HA LYS 48 HA LYS 48 2.458 -11.227 5.341
349 HB2 LYS 48 2HB LYS 48 2.825 -9.217 3.287
350 HB3 LYS 48 1HB LYS 48 2.124 -8.686 4.854
351 HG2 LYS 48 2HG LYS 48 4.849 -9.938 4.307
352 HG3 LYS 48 1HG LYS 48 4.561 -8.263 4.771
353 HD2 LYS 48 2HD LYS 48 4.073 -8.815 6.966
354 HD3 LYS 48 1HD LYS 48 3.620 -10.469 6.595
355 HE2 LYS 48 2HE LYS 48 6.418 -9.351 6.481
356 HE3 LYS 48 1HE LYS 48 5.759 -10.325 7.795
357 HZ1 LYS 48 3HZ LYS 48 6.968 -11.818 6.377
358 HZ2 LYS 48 1HZ LYS 48 6.236 -11.204 4.977
359 HZ3 LYS 48 2HZ LYS 48 5.330 -12.077 6.041
360 HA PRO 49 HA PRO 49 -1.853 -11.836 4.832
361 HB2 PRO 49 2HB PRO 49 -2.286 -9.402 6.491
362 HB3 PRO 49 1HB PRO 49 -2.901 -11.051 6.731
363 HG2 PRO 49 2HG PRO 49 -0.955 -10.165 8.244
364 HG3 PRO 49 1HG PRO 49 -0.930 -11.827 7.621
365 HD2 PRO 49 2HD PRO 49 0.641 -9.466 6.711
366 HD3 PRO 49 1HD PRO 49 1.120 -11.170 6.865
367 H CYS 50 H CYS 50 -3.291 -11.372 3.355
368 HA CYS 50 HA CYS 50 -3.876 -8.735 2.544
369 HB2 CYS 50 2HB CYS 50 -2.227 -8.985 0.988
370 HB3 CYS 50 1HB CYS 50 -2.381 -10.753 0.845
371 H THR 51 H THR 51 -5.555 -9.365 0.510
372 HA THR 51 HA THR 51 -7.907 -10.117 1.746
373 HB THR 51 HB THR 51 -8.713 -10.287 -0.691
374 HG1 THR 51 1HG THR 51 -6.306 -9.094 -1.459
375 HG21 THR 51 3HG2 THR 51 -8.660 -8.203 0.783
376 HG22 THR 51 1HG2 THR 51 -8.574 -7.924 -0.978
377 HG23 THR 51 2HG2 THR 51 -7.101 -7.884 -0.028
378 H VAL 52 H VAL 52 -6.436 -11.772 -0.889
379 HA VAL 52 HA VAL 52 -7.981 -14.158 -0.325
380 HB VAL 52 HB VAL 52 -7.317 -14.982 -2.486
381 HG11 VAL 52 1HG1 VAL 52 -9.172 -13.457 -2.436
382 HG12 VAL 52 2HG1 VAL 52 -8.213 -13.105 -3.886
383 HG13 VAL 52 3HG1 VAL 52 -8.089 -12.068 -2.468
384 HG21 VAL 52 3HG2 VAL 52 -4.958 -14.111 -2.434
385 HG22 VAL 52 1HG2 VAL 52 -5.576 -12.516 -2.787
386 HG23 VAL 52 2HG2 VAL 52 -5.764 -13.799 -3.973
387 H GLY 53 H GLY 53 -4.964 -13.148 0.625
388 HA2 GLY 53 2HA GLY 53 -4.274 -15.344 1.931
389 HA3 GLY 53 1HA GLY 53 -3.560 -15.574 0.325
390 H PHE 54 H PHE 54 -1.530 -14.940 0.239
391 HA PHE 54 HA PHE 54 -0.709 -12.774 2.005
392 HB2 PHE 54 2HB PHE 54 1.581 -13.733 1.938
393 HB3 PHE 54 1HB PHE 54 0.285 -14.889 2.369
394 HD1 PHE 54 1HD PHE 54 2.180 -13.829 -0.689
395 HD2 PHE 54 2HD PHE 54 0.435 -16.992 1.564
396 HE1 PHE 54 1HE PHE 54 3.041 -15.459 -2.316
397 HE2 PHE 54 2HE PHE 54 1.284 -18.623 -0.068
398 HZ PHE 54 HZ PHE 54 2.589 -17.859 -2.008
399 H CYS 55 H CYS 55 0.859 -11.369 1.273
400 HA CYS 55 HA CYS 55 0.656 -10.618 -1.516
401 HB2 CYS 55 2HB CYS 55 2.090 -9.415 0.843
402 HB3 CYS 55 1HB CYS 55 2.212 -8.758 -0.787
403 H ASP 56 H ASP 56 2.031 -11.282 -2.964
404 HA ASP 56 HA ASP 56 4.002 -13.090 -2.033
405 HB2 ASP 56 2HB ASP 56 4.173 -13.900 -4.277
406 HB3 ASP 56 1HB ASP 56 2.481 -13.460 -4.064
407 H MET 57 H MET 57 5.970 -12.969 -4.132
408 HA MET 57 HA MET 57 7.845 -11.321 -3.093
409 HB2 MET 57 2HB MET 57 8.265 -13.444 -4.066
410 HB3 MET 57 1HB MET 57 7.518 -12.956 -5.578
411 HG2 MET 57 2HG MET 57 9.825 -12.982 -5.803
412 HG3 MET 57 1HG MET 57 9.146 -11.332 -5.862
413 HE1 MET 57 3HE MET 57 12.741 -10.814 -4.181
414 HE2 MET 57 1HE MET 57 11.707 -10.364 -5.537
415 HE3 MET 57 2HE MET 57 12.332 -12.009 -5.412
416 H ASN 58 H ASN 58 5.606 -11.041 -5.841
417 HA ASN 58 HA ASN 58 6.889 -8.616 -6.737
418 HB2 ASN 58 2HB ASN 58 5.807 -10.034 -8.403
419 HB3 ASN 58 1HB ASN 58 4.273 -9.909 -7.547
420 HD21 ASN 58 1HD2 ASN 58 6.542 -8.271 -9.598
421 HD22 ASN 58 2HD2 ASN 58 5.494 -6.961 -10.025
422 H GLY 59 H GLY 59 3.717 -9.432 -5.367
423 HA2 GLY 59 2HA GLY 59 3.004 -7.873 -3.500
424 HA3 GLY 59 1HA GLY 59 3.400 -6.591 -4.662
425 H LYS 60 H LYS 60 1.963 -9.710 -5.102
426 HA LYS 60 HA LYS 60 -0.730 -8.645 -5.712
427 HB2 LYS 60 2HB LYS 60 0.755 -9.560 -7.689
428 HB3 LYS 60 1HB LYS 60 0.728 -11.036 -6.730
429 HG2 LYS 60 2HG LYS 60 -1.775 -10.999 -6.937
430 HG3 LYS 60 1HG LYS 60 -1.564 -9.730 -8.150
431 HD2 LYS 60 2HD LYS 60 -1.647 -11.687 -9.426
432 HD3 LYS 60 1HD LYS 60 0.078 -11.376 -9.271
433 HE2 LYS 60 2HE LYS 60 -1.544 -13.376 -7.661
434 HE3 LYS 60 1HE LYS 60 -0.409 -13.756 -8.942
435 HZ1 LYS 60 3HZ LYS 60 0.437 -14.148 -6.692
436 HZ2 LYS 60 1HZ LYS 60 0.285 -12.570 -6.294
437 HZ3 LYS 60 2HZ LYS 60 1.438 -13.022 -7.438
438 H CYS 61 H CYS 61 -2.116 -10.406 -5.327
439 HA CYS 61 HA CYS 61 -1.363 -11.488 -2.746
440 HB2 CYS 61 2HB CYS 61 -3.304 -9.932 -3.441
441 HB3 CYS 61 1HB CYS 61 -4.075 -11.450 -3.909
442 H GLU 62 H GLU 62 -1.348 -13.660 -2.532
443 HA GLU 62 HA GLU 62 -0.670 -15.672 -3.145
444 HB2 GLU 62 2HB GLU 62 -3.253 -15.194 -4.277
445 HB3 GLU 62 1HB GLU 62 -2.612 -16.865 -4.479
446 HG2 GLU 62 2HG GLU 62 -3.450 -15.285 -2.027
447 HG3 GLU 62 1HG GLU 62 -4.132 -16.813 -2.590
Start of MODEL 8
1 H PHE 1 1HT PHE 1 4.144 2.421 8.088
2 HA PHE 1 HA PHE 1 5.452 2.157 6.248
3 HB2 PHE 1 2HB PHE 1 4.325 1.536 3.981
4 HB3 PHE 1 1HB PHE 1 4.719 0.242 5.098
5 HD1 PHE 1 1HD PHE 1 2.901 -0.958 6.247
6 HD2 PHE 1 2HD PHE 1 2.092 2.077 3.388
7 HE1 PHE 1 1HE PHE 1 0.599 -1.797 6.018
8 HE2 PHE 1 2HE PHE 1 -0.214 1.248 3.151
9 HZ PHE 1 HZ PHE 1 -0.962 -0.692 4.469
10 H CYS 2 H CYS 2 2.248 3.259 5.131
11 HA CYS 2 HA CYS 2 3.420 5.340 3.736
12 HB2 CYS 2 2HB CYS 2 1.221 4.445 3.146
13 HB3 CYS 2 1HB CYS 2 0.538 5.148 4.610
14 H GLU 3 H GLU 3 2.602 5.214 7.050
15 HA GLU 3 HA GLU 3 2.232 7.864 7.805
16 HB2 GLU 3 2HB GLU 3 4.078 6.095 9.390
17 HB3 GLU 3 1HB GLU 3 2.926 7.276 9.976
18 HG2 GLU 3 2HG GLU 3 2.020 5.219 10.570
19 HG3 GLU 3 1HG GLU 3 1.151 5.692 9.093
20 H ARG 4 H ARG 4 5.135 6.124 7.094
21 HA ARG 4 HA ARG 4 6.615 8.516 7.501
22 HB2 ARG 4 2HB ARG 4 7.451 6.581 8.695
23 HB3 ARG 4 1HB ARG 4 7.623 5.690 7.201
24 HG2 ARG 4 2HG ARG 4 9.792 6.422 8.090
25 HG3 ARG 4 1HG ARG 4 9.443 7.127 6.513
26 HD2 ARG 4 2HD ARG 4 8.893 8.630 9.079
27 HD3 ARG 4 1HD ARG 4 10.476 8.675 8.302
28 HE ARG 4 HE ARG 4 8.859 9.275 6.289
29 HH11 ARG 4 1HH1 ARG 4 9.009 10.721 9.529
30 HH12 ARG 4 2HH1 ARG 4 8.420 12.237 9.011
31 HH21 ARG 4 1HH2 ARG 4 8.077 11.326 5.607
32 HH22 ARG 4 2HH2 ARG 4 7.821 12.579 6.722
33 H GLU 5 H GLU 5 5.257 6.818 4.982
34 HA GLU 5 HA GLU 5 7.306 7.529 3.081
35 HB2 GLU 5 2HB GLU 5 4.743 5.996 2.588
36 HB3 GLU 5 1HB GLU 5 6.105 6.116 1.484
37 HG2 GLU 5 2HG GLU 5 7.570 4.976 3.120
38 HG3 GLU 5 1HG GLU 5 6.227 4.836 4.235
39 H GLN 6 H GLN 6 3.804 8.407 3.583
40 HA GLN 6 HA GLN 6 4.304 10.876 2.001
41 HB2 GLN 6 2HB GLN 6 1.831 9.261 2.425
42 HB3 GLN 6 1HB GLN 6 1.860 10.870 1.739
43 HG2 GLN 6 2HG GLN 6 3.276 8.549 0.681
44 HG3 GLN 6 1HG GLN 6 1.583 9.031 0.260
45 HE21 GLN 6 1HE2 GLN 6 2.006 9.609 -1.957
46 HE22 GLN 6 2HE2 GLN 6 3.022 10.926 -2.384
47 H GLN 7 H GLN 7 3.829 9.572 4.954
48 HA GLN 7 HA GLN 7 3.104 10.010 6.795
49 HB2 GLN 7 2HB GLN 7 3.038 12.879 5.907
50 HB3 GLN 7 1HB GLN 7 2.726 12.394 7.574
51 HG2 GLN 7 2HG GLN 7 4.881 11.341 7.699
52 HG3 GLN 7 1HG GLN 7 5.175 11.730 6.013
53 HE21 GLN 7 1HE2 GLN 7 3.597 13.946 8.180
54 HE22 GLN 7 2HE2 GLN 7 4.877 15.102 8.286
55 H LEU 8 H LEU 8 1.187 9.280 4.817
56 HA LEU 8 HA LEU 8 -1.345 10.234 5.936
57 HB2 LEU 8 2HB LEU 8 -0.688 8.174 3.836
58 HB3 LEU 8 1HB LEU 8 -2.257 8.235 4.579
59 HG LEU 8 HG LEU 8 -2.627 9.218 2.608
60 HD11 LEU 8 1HD1 LEU 8 -2.024 11.543 4.332
61 HD12 LEU 8 2HD1 LEU 8 -3.487 10.551 4.212
62 HD13 LEU 8 3HD1 LEU 8 -2.993 11.554 2.841
63 HD21 LEU 8 3HD2 LEU 8 -1.157 10.789 1.424
64 HD22 LEU 8 1HD2 LEU 8 -0.408 9.219 1.715
65 HD23 LEU 8 2HD2 LEU 8 0.033 10.602 2.718
66 H GLU 9 H GLU 9 -2.743 8.429 6.479
67 HA GLU 9 HA GLU 9 -1.492 6.599 8.353
68 HB2 GLU 9 2HB GLU 9 -3.823 7.728 8.583
69 HB3 GLU 9 1HB GLU 9 -4.252 6.586 7.303
70 HG2 GLU 9 2HG GLU 9 -3.771 4.720 8.746
71 HG3 GLU 9 1HG GLU 9 -3.362 5.836 10.059
72 H SER 10 H SER 10 -1.561 4.315 7.891
73 HA SER 10 HA SER 10 -1.309 3.715 5.130
74 HB2 SER 10 2HB SER 10 -0.511 1.680 5.983
75 HB3 SER 10 1HB SER 10 0.072 3.121 6.929
76 HG SER 10 HG SER 10 -2.184 2.140 8.000
77 H CYS 11 H CYS 11 -2.530 2.064 4.103
78 HA CYS 11 HA CYS 11 -4.710 0.878 5.520
79 HB2 CYS 11 2HB CYS 11 -6.528 1.956 4.465
80 HB3 CYS 11 1HB CYS 11 -5.375 3.275 4.463
81 H ALA 12 H ALA 12 -5.812 -0.690 3.941
82 HA ALA 12 HA ALA 12 -3.900 -1.502 1.890
83 HB1 ALA 12 1HB ALA 12 -4.599 -3.827 2.333
84 HB2 ALA 12 2HB ALA 12 -5.629 -3.262 3.647
85 HB3 ALA 12 3HB ALA 12 -3.878 -3.092 3.766
86 H CYS 13 H CYS 13 -4.764 -1.326 -0.070
87 HA CYS 13 HA CYS 13 -7.387 -0.536 -0.542
88 HB2 CYS 13 2HB CYS 13 -5.343 -1.795 -2.384
89 HB3 CYS 13 1HB CYS 13 -6.816 -1.020 -2.905
90 H ASN 14 H ASN 14 -9.218 -1.477 -0.832
91 HA ASN 14 HA ASN 14 -9.754 -4.050 0.084
92 HB2 ASN 14 2HB ASN 14 -11.452 -2.368 -1.758
93 HB3 ASN 14 1HB ASN 14 -12.019 -3.707 -0.769
94 HD21 ASN 14 1HD2 ASN 14 -12.264 -3.394 1.454
95 HD22 ASN 14 2HD2 ASN 14 -12.219 -1.808 2.150
96 H GLU 15 H GLU 15 -8.879 -2.964 -3.041
97 HA GLU 15 HA GLU 15 -9.870 -5.119 -4.409
98 HB2 GLU 15 2HB GLU 15 -9.418 -2.845 -5.382
99 HB3 GLU 15 1HB GLU 15 -7.704 -3.179 -5.216
100 HG2 GLU 15 2HG GLU 15 -9.505 -4.838 -6.957
101 HG3 GLU 15 1HG GLU 15 -8.667 -3.396 -7.530
102 H THR 16 H THR 16 -8.657 -7.037 -5.023
103 HA THR 16 HA THR 16 -6.963 -8.116 -3.124
104 HB THR 16 HB THR 16 -7.406 -8.950 -5.982
105 HG1 THR 16 1HG THR 16 -8.901 -9.020 -3.759
106 HG21 THR 16 3HG2 THR 16 -6.241 -10.588 -3.676
107 HG22 THR 16 1HG2 THR 16 -5.315 -9.890 -5.012
108 HG23 THR 16 2HG2 THR 16 -6.525 -11.140 -5.323
109 H ASP 17 H ASP 17 -6.074 -6.874 -6.343
110 HA ASP 17 HA ASP 17 -3.425 -7.756 -5.940
111 HB2 ASP 17 2HB ASP 17 -4.602 -7.413 -8.160
112 HB3 ASP 17 1HB ASP 17 -4.309 -5.690 -7.864
113 H ASN 18 H ASN 18 -5.191 -4.702 -5.632
114 HA ASN 18 HA ASN 18 -2.856 -3.193 -5.163
115 HB2 ASN 18 2HB ASN 18 -5.756 -2.502 -5.025
116 HB3 ASN 18 1HB ASN 18 -4.553 -1.408 -4.364
117 HD21 ASN 18 1HD2 ASN 18 -5.673 -2.975 -7.311
118 HD22 ASN 18 2HD2 ASN 18 -4.962 -1.835 -8.389
119 H SER 19 H SER 19 -4.485 -5.244 -3.252
120 HA SER 19 HA SER 19 -3.809 -3.821 -0.845
121 HB2 SER 19 2HB SER 19 -4.453 -5.893 0.453
122 HB3 SER 19 1HB SER 19 -5.708 -5.311 -0.639
123 HG SER 19 HG SER 19 -4.473 -7.020 -2.096
124 H CYS 20 H CYS 20 -1.911 -5.209 -3.034
125 HA CYS 20 HA CYS 20 0.096 -5.933 -1.030
126 HB2 CYS 20 2HB CYS 20 -0.555 -7.566 -2.996
127 HB3 CYS 20 1HB CYS 20 0.433 -6.459 -3.961
128 H LYS 21 H LYS 21 -0.871 -3.190 -2.325
129 HA LYS 21 HA LYS 21 1.848 -2.105 -2.558
130 HB2 LYS 21 2HB LYS 21 -0.594 -1.572 -4.156
131 HB3 LYS 21 1HB LYS 21 0.755 -0.422 -4.099
132 HG2 LYS 21 2HG LYS 21 1.430 -1.504 -6.008
133 HG3 LYS 21 1HG LYS 21 1.985 -2.731 -4.872
134 HD2 LYS 21 2HD LYS 21 0.773 -3.885 -6.541
135 HD3 LYS 21 1HD LYS 21 -0.281 -3.816 -5.127
136 HE2 LYS 21 2HE LYS 21 -1.415 -1.845 -6.111
137 HE3 LYS 21 1HE LYS 21 -0.395 -2.004 -7.534
138 HZ1 LYS 21 3HZ LYS 21 -2.204 -4.102 -6.544
139 HZ2 LYS 21 1HZ LYS 21 -1.429 -4.179 -7.999
140 HZ3 LYS 21 2HZ LYS 21 -2.649 -3.047 -7.762
141 H VAL 22 H VAL 22 2.059 -0.142 -2.247
142 HA VAL 22 HA VAL 22 1.197 0.239 0.395
143 HB VAL 22 HB VAL 22 2.868 2.047 -1.374
144 HG11 VAL 22 1HG1 VAL 22 1.803 3.244 0.374
145 HG12 VAL 22 2HG1 VAL 22 3.528 3.037 0.791
146 HG13 VAL 22 3HG1 VAL 22 2.275 2.027 1.550
147 HG21 VAL 22 3HG2 VAL 22 3.665 0.131 0.801
148 HG22 VAL 22 1HG2 VAL 22 4.732 0.988 -0.313
149 HG23 VAL 22 2HG2 VAL 22 3.637 -0.323 -0.893
150 H CYS 23 H CYS 23 -0.680 0.691 0.599
151 HA CYS 23 HA CYS 23 -1.823 3.010 -0.811
152 HB2 CYS 23 2HB CYS 23 -3.420 1.167 0.962
153 HB3 CYS 23 1HB CYS 23 -3.955 2.385 -0.207
154 H CYS 24 H CYS 24 -3.036 4.586 0.353
155 HA CYS 24 HA CYS 24 -2.040 5.073 3.028
156 HB2 CYS 24 2HB CYS 24 -2.128 6.916 0.610
157 HB3 CYS 24 1HB CYS 24 -1.715 7.488 2.207
158 H ARG 25 H ARG 25 -3.569 6.796 4.012
159 HA ARG 25 HA ARG 25 -6.236 6.177 3.007
160 HB2 ARG 25 2HB ARG 25 -5.288 5.098 5.201
161 HB3 ARG 25 1HB ARG 25 -5.528 6.707 5.845
162 HG2 ARG 25 2HG ARG 25 -7.797 5.533 4.448
163 HG3 ARG 25 1HG ARG 25 -7.382 4.794 6.002
164 HD2 ARG 25 2HD ARG 25 -7.977 7.731 5.478
165 HD3 ARG 25 1HD ARG 25 -9.074 6.554 6.212
166 HE ARG 25 HE ARG 25 -7.047 6.374 7.875
167 HH11 ARG 25 1HH1 ARG 25 -8.420 9.325 6.492
168 HH12 ARG 25 2HH1 ARG 25 -8.269 10.251 7.918
169 HH21 ARG 25 1HH2 ARG 25 -6.765 7.595 9.794
170 HH22 ARG 25 2HH2 ARG 25 -7.257 9.211 9.913
171 H ASP 26 H ASP 26 -7.430 7.925 2.565
172 HA ASP 26 HA ASP 26 -6.106 10.450 2.935
173 HB2 ASP 26 2HB ASP 26 -7.121 11.156 0.978
174 HB3 ASP 26 1HB ASP 26 -7.059 9.428 0.667
175 H LEU 27 H LEU 27 -7.963 12.051 2.812
176 HA LEU 27 HA LEU 27 -8.729 12.378 5.426
177 HB2 LEU 27 2HB LEU 27 -9.927 13.988 3.206
178 HB3 LEU 27 1HB LEU 27 -9.649 14.495 4.858
179 HG LEU 27 HG LEU 27 -7.121 14.007 4.093
180 HD11 LEU 27 1HD1 LEU 27 -6.725 14.778 1.831
181 HD12 LEU 27 2HD1 LEU 27 -8.458 14.947 1.577
182 HD13 LEU 27 3HD1 LEU 27 -7.771 13.350 1.818
183 HD21 LEU 27 3HD2 LEU 27 -6.901 16.429 3.701
184 HD22 LEU 27 1HD2 LEU 27 -7.920 16.081 5.099
185 HD23 LEU 27 2HD2 LEU 27 -8.655 16.555 3.568
186 H SER 28 H SER 28 -10.492 11.142 2.690
187 HA SER 28 HA SER 28 -12.976 11.439 4.046
188 HB2 SER 28 2HB SER 28 -12.892 12.113 1.711
189 HB3 SER 28 1HB SER 28 -12.310 10.523 1.243
190 HG SER 28 HG SER 28 -14.420 9.933 2.445
191 H GLY 29 H GLY 29 -10.505 9.437 4.178
192 HA2 GLY 29 2HA GLY 29 -10.227 7.542 5.062
193 HA3 GLY 29 1HA GLY 29 -11.971 7.278 5.269
194 H ARG 30 H ARG 30 -10.328 7.938 2.248
195 HA ARG 30 HA ARG 30 -11.301 5.433 1.113
196 HB2 ARG 30 2HB ARG 30 -9.820 7.718 -0.174
197 HB3 ARG 30 1HB ARG 30 -10.661 6.416 -0.991
198 HG2 ARG 30 2HG ARG 30 -12.773 7.294 -0.402
199 HG3 ARG 30 1HG ARG 30 -12.054 8.418 0.760
200 HD2 ARG 30 2HD ARG 30 -10.863 9.525 -1.080
201 HD3 ARG 30 1HD ARG 30 -11.640 8.439 -2.223
202 HE ARG 30 HE ARG 30 -13.766 9.424 -1.436
203 HH11 ARG 30 1HH1 ARG 30 -10.808 11.309 -0.799
204 HH12 ARG 30 2HH1 ARG 30 -11.465 12.801 -1.198
205 HH21 ARG 30 1HH2 ARG 30 -14.747 11.545 -1.919
206 HH22 ARG 30 2HH2 ARG 30 -13.797 12.957 -1.831
207 H CYS 31 H CYS 31 -9.870 3.975 0.176
208 HA CYS 31 HA CYS 31 -7.124 4.171 0.990
209 HB2 CYS 31 2HB CYS 31 -8.832 1.983 -0.051
210 HB3 CYS 31 1HB CYS 31 -7.105 1.903 -0.404
211 H VAL 32 H VAL 32 -5.736 5.166 -0.149
212 HA VAL 32 HA VAL 32 -6.130 5.146 -2.923
213 HB VAL 32 HB VAL 32 -6.638 7.383 -2.293
214 HG11 VAL 32 1HG1 VAL 32 -4.909 8.793 -1.026
215 HG12 VAL 32 2HG1 VAL 32 -4.253 7.228 -0.476
216 HG13 VAL 32 3HG1 VAL 32 -5.918 7.691 -0.118
217 HG21 VAL 32 3HG2 VAL 32 -3.776 7.388 -3.239
218 HG22 VAL 32 1HG2 VAL 32 -4.909 8.732 -3.389
219 HG23 VAL 32 2HG2 VAL 32 -5.194 7.219 -4.265
220 HA PRO 33 HA PRO 33 -2.129 3.073 -2.709
221 HB2 PRO 33 2HB PRO 33 -2.059 3.795 -5.588
222 HB3 PRO 33 1HB PRO 33 -1.905 2.194 -4.835
223 HG2 PRO 33 2HG PRO 33 -4.104 2.840 -6.140
224 HG3 PRO 33 1HG PRO 33 -4.165 1.886 -4.644
225 HD2 PRO 33 2HD PRO 33 -4.811 4.776 -5.037
226 HD3 PRO 33 1HD PRO 33 -5.591 3.550 -4.011
227 H TYR 34 H TYR 34 -0.188 3.972 -2.227
228 HA TYR 34 HA TYR 34 0.183 6.729 -2.519
229 HB2 TYR 34 2HB TYR 34 1.423 6.225 -0.826
230 HB3 TYR 34 1HB TYR 34 1.735 4.552 -1.317
231 HD1 TYR 34 1HD TYR 34 2.876 8.155 -2.391
232 HD2 TYR 34 2HD TYR 34 4.039 4.065 -1.580
233 HE1 TYR 34 1HE TYR 34 4.951 8.696 -2.763
234 HE2 TYR 34 2HE TYR 34 6.340 4.757 -2.031
235 HH TYR 34 HH TYR 34 7.285 7.989 -2.298
236 H VAL 35 H VAL 35 0.829 7.951 -4.010
237 HA VAL 35 HA VAL 35 2.910 7.181 -5.737
238 HB VAL 35 HB VAL 35 1.163 8.949 -6.951
239 HG11 VAL 35 1HG1 VAL 35 2.072 6.260 -7.887
240 HG12 VAL 35 2HG1 VAL 35 2.873 7.824 -8.038
241 HG13 VAL 35 3HG1 VAL 35 1.375 7.524 -8.926
242 HG21 VAL 35 3HG2 VAL 35 -0.795 7.590 -7.628
243 HG22 VAL 35 1HG2 VAL 35 -0.709 7.850 -5.882
244 HG23 VAL 35 2HG2 VAL 35 -0.230 6.293 -6.563
245 H ASP 36 H ASP 36 4.068 8.965 -5.982
246 HA ASP 36 HA ASP 36 3.154 11.573 -4.810
247 HB2 ASP 36 2HB ASP 36 5.309 11.766 -4.077
248 HB3 ASP 36 1HB ASP 36 5.042 10.023 -3.871
249 H ALA 37 H ALA 37 4.958 12.866 -5.697
250 HA ALA 37 HA ALA 37 3.195 13.521 -7.608
251 HB1 ALA 37 1HB ALA 37 4.067 14.847 -6.017
252 HB2 ALA 37 2HB ALA 37 4.287 15.667 -7.606
253 HB3 ALA 37 3HB ALA 37 5.675 14.906 -6.738
254 H GLU 38 H GLU 38 6.357 12.102 -7.436
255 HA GLU 38 HA GLU 38 7.190 12.301 -9.994
256 HB2 GLU 38 2HB GLU 38 7.865 10.903 -7.527
257 HB3 GLU 38 1HB GLU 38 8.445 10.172 -9.011
258 HG2 GLU 38 2HG GLU 38 8.802 13.022 -8.382
259 HG3 GLU 38 1HG GLU 38 9.974 11.808 -7.832
260 H GLN 39 H GLN 39 4.531 10.569 -8.573
261 HA GLN 39 HA GLN 39 3.214 9.140 -9.209
262 HB2 GLN 39 2HB GLN 39 4.781 9.664 -11.551
263 HB3 GLN 39 1HB GLN 39 3.474 8.437 -11.728
264 HG2 GLN 39 2HG GLN 39 1.884 10.188 -11.067
265 HG3 GLN 39 1HG GLN 39 3.222 11.297 -10.773
266 HE21 GLN 39 1HE2 GLN 39 4.241 12.239 -12.495
267 HE22 GLN 39 2HE2 GLN 39 3.584 12.218 -14.100
268 H LYS 40 H LYS 40 5.637 8.424 -7.792
269 HA LYS 40 HA LYS 40 6.278 5.821 -8.849
270 HB2 LYS 40 2HB LYS 40 7.252 7.306 -6.474
271 HB3 LYS 40 1HB LYS 40 7.937 5.788 -7.087
272 HG2 LYS 40 2HG LYS 40 7.645 8.296 -8.423
273 HG3 LYS 40 1HG LYS 40 9.200 7.811 -7.635
274 HD2 LYS 40 2HD LYS 40 9.119 5.819 -9.289
275 HD3 LYS 40 1HD LYS 40 7.815 6.667 -10.113
276 HE2 LYS 40 2HE LYS 40 10.666 7.639 -9.796
277 HE3 LYS 40 1HE LYS 40 9.951 6.994 -11.265
278 HZ1 LYS 40 3HZ LYS 40 8.295 9.082 -10.849
279 HZ2 LYS 40 1HZ LYS 40 9.808 9.307 -11.584
280 HZ3 LYS 40 2HZ LYS 40 9.688 9.626 -10.050
281 H ASN 41 H ASN 41 6.019 4.171 -7.658
282 HA ASN 41 HA ASN 41 4.060 4.341 -5.527
283 HB2 ASN 41 2HB ASN 41 3.036 3.851 -7.735
284 HB3 ASN 41 1HB ASN 41 4.190 2.515 -7.799
285 HD21 ASN 41 1HD2 ASN 41 1.422 3.661 -5.899
286 HD22 ASN 41 2HD2 ASN 41 0.801 2.094 -5.522
287 H LEU 42 H LEU 42 3.918 1.725 -4.871
288 HA LEU 42 HA LEU 42 6.537 0.444 -4.694
289 HB2 LEU 42 2HB LEU 42 5.035 1.335 -2.280
290 HB3 LEU 42 1HB LEU 42 6.414 0.274 -2.278
291 HG LEU 42 HG LEU 42 6.453 3.155 -3.074
292 HD11 LEU 42 1HD1 LEU 42 5.756 2.714 -0.778
293 HD12 LEU 42 2HD1 LEU 42 7.368 3.467 -0.797
294 HD13 LEU 42 3HD1 LEU 42 7.190 1.732 -0.507
295 HD21 LEU 42 3HD2 LEU 42 8.290 1.814 -4.030
296 HD22 LEU 42 1HD2 LEU 42 8.668 1.192 -2.423
297 HD23 LEU 42 2HD2 LEU 42 8.889 2.904 -2.779
298 H PHE 43 H PHE 43 6.297 -1.732 -4.065
299 HA PHE 43 HA PHE 43 3.699 -2.681 -3.809
300 HB2 PHE 43 2HB PHE 43 6.419 -3.870 -3.939
301 HB3 PHE 43 1HB PHE 43 4.960 -4.887 -3.859
302 HD1 PHE 43 1HD PHE 43 3.222 -4.259 -5.802
303 HD2 PHE 43 2HD PHE 43 7.399 -3.490 -5.938
304 HE1 PHE 43 1HE PHE 43 3.119 -4.167 -8.257
305 HE2 PHE 43 2HE PHE 43 7.309 -3.393 -8.391
306 HZ PHE 43 HZ PHE 43 5.165 -3.731 -9.557
307 H LEU 44 H LEU 44 3.241 -3.972 -1.761
308 HA LEU 44 HA LEU 44 4.418 -2.829 0.361
309 HB2 LEU 44 2HB LEU 44 2.400 -5.005 0.130
310 HB3 LEU 44 1HB LEU 44 3.121 -4.679 1.687
311 HG LEU 44 HG LEU 44 1.580 -2.653 0.052
312 HD11 LEU 44 1HD1 LEU 44 -0.172 -2.975 1.725
313 HD12 LEU 44 2HD1 LEU 44 0.778 -4.253 2.484
314 HD13 LEU 44 3HD1 LEU 44 0.148 -4.472 0.851
315 HD21 LEU 44 3HD2 LEU 44 1.629 -1.339 2.101
316 HD22 LEU 44 1HD2 LEU 44 3.269 -1.677 1.553
317 HD23 LEU 44 2HD2 LEU 44 2.585 -2.586 2.896
318 H ARG 45 H ARG 45 5.074 -4.567 2.250
319 HA ARG 45 HA ARG 45 7.330 -5.800 1.108
320 HB2 ARG 45 2HB ARG 45 6.387 -5.128 3.790
321 HB3 ARG 45 1HB ARG 45 7.836 -6.178 3.547
322 HG2 ARG 45 2HG ARG 45 8.584 -3.862 3.999
323 HG3 ARG 45 1HG ARG 45 8.864 -4.208 2.300
324 HD2 ARG 45 2HD ARG 45 6.813 -2.941 1.715
325 HD3 ARG 45 1HD ARG 45 6.524 -2.619 3.421
326 HE ARG 45 HE ARG 45 9.093 -1.726 2.707
327 HH11 ARG 45 1HH1 ARG 45 5.676 -0.682 2.094
328 HH12 ARG 45 2HH1 ARG 45 6.147 0.965 1.994
329 HH21 ARG 45 1HH2 ARG 45 9.544 0.660 2.487
330 HH22 ARG 45 2HH2 ARG 45 8.179 1.655 2.183
331 H LYS 46 H LYS 46 7.876 -7.945 1.781
332 HA LYS 46 HA LYS 46 5.709 -9.622 1.038
333 HB2 LYS 46 2HB LYS 46 7.338 -11.540 1.176
334 HB3 LYS 46 1HB LYS 46 7.755 -10.243 0.074
335 HG2 LYS 46 2HG LYS 46 9.403 -9.398 1.592
336 HG3 LYS 46 1HG LYS 46 8.882 -10.515 2.846
337 HD2 LYS 46 2HD LYS 46 11.009 -11.196 1.715
338 HD3 LYS 46 1HD LYS 46 9.739 -12.405 1.609
339 HE2 LYS 46 2HE LYS 46 9.973 -10.472 -0.647
340 HE3 LYS 46 1HE LYS 46 11.248 -11.673 -0.487
341 HZ1 LYS 46 3HZ LYS 46 8.339 -12.401 -0.610
342 HZ2 LYS 46 1HZ LYS 46 9.625 -13.434 -0.722
343 HZ3 LYS 46 2HZ LYS 46 9.229 -12.327 -1.942
344 H GLY 47 H GLY 47 4.416 -10.855 2.018
345 HA2 GLY 47 2HA GLY 47 3.675 -12.441 3.510
346 HA3 GLY 47 1HA GLY 47 5.071 -12.131 4.556
347 H LYS 48 H LYS 48 3.188 -9.499 3.373
348 HA LYS 48 HA LYS 48 2.073 -9.097 6.027
349 HB2 LYS 48 2HB LYS 48 2.634 -7.466 3.635
350 HB3 LYS 48 1HB LYS 48 1.285 -6.932 4.632
351 HG2 LYS 48 2HG LYS 48 3.349 -5.678 5.150
352 HG3 LYS 48 1HG LYS 48 2.834 -6.619 6.534
353 HD2 LYS 48 2HD LYS 48 4.921 -7.708 4.656
354 HD3 LYS 48 1HD LYS 48 5.369 -6.512 5.869
355 HE2 LYS 48 2HE LYS 48 4.621 -7.985 7.648
356 HE3 LYS 48 1HE LYS 48 3.996 -9.137 6.474
357 HZ1 LYS 48 3HZ LYS 48 6.863 -8.450 6.879
358 HZ2 LYS 48 1HZ LYS 48 6.253 -9.484 5.680
359 HZ3 LYS 48 2HZ LYS 48 6.076 -9.897 7.296
360 HA PRO 49 HA PRO 49 -1.694 -10.926 4.664
361 HB2 PRO 49 2HB PRO 49 -3.381 -9.786 6.507
362 HB3 PRO 49 1HB PRO 49 -2.316 -11.158 6.880
363 HG2 PRO 49 2HG PRO 49 -1.927 -8.279 7.476
364 HG3 PRO 49 1HG PRO 49 -1.551 -9.700 8.470
365 HD2 PRO 49 2HD PRO 49 0.352 -8.376 7.116
366 HD3 PRO 49 1HD PRO 49 0.416 -10.132 7.373
367 H CYS 50 H CYS 50 -2.957 -10.376 3.044
368 HA CYS 50 HA CYS 50 -3.883 -7.661 2.835
369 HB2 CYS 50 2HB CYS 50 -3.512 -7.810 0.408
370 HB3 CYS 50 1HB CYS 50 -2.014 -8.034 1.306
371 H THR 51 H THR 51 -5.366 -8.429 0.402
372 HA THR 51 HA THR 51 -7.824 -9.030 1.485
373 HB THR 51 HB THR 51 -8.329 -9.678 -0.959
374 HG1 THR 51 1HG THR 51 -5.866 -8.424 -1.477
375 HG21 THR 51 3HG2 THR 51 -8.733 -7.465 0.089
376 HG22 THR 51 1HG2 THR 51 -8.230 -7.355 -1.614
377 HG23 THR 51 2HG2 THR 51 -7.054 -7.055 -0.331
378 H VAL 52 H VAL 52 -6.179 -11.086 -0.725
379 HA VAL 52 HA VAL 52 -7.769 -13.344 0.138
380 HB VAL 52 HB VAL 52 -6.885 -14.573 -1.786
381 HG11 VAL 52 1HG1 VAL 52 -7.878 -11.781 -2.360
382 HG12 VAL 52 2HG1 VAL 52 -8.876 -13.207 -2.061
383 HG13 VAL 52 3HG1 VAL 52 -7.889 -13.105 -3.523
384 HG21 VAL 52 3HG2 VAL 52 -5.435 -13.531 -3.406
385 HG22 VAL 52 1HG2 VAL 52 -4.615 -13.485 -1.847
386 HG23 VAL 52 2HG2 VAL 52 -5.412 -12.035 -2.498
387 H GLY 53 H GLY 53 -4.479 -12.427 0.525
388 HA2 GLY 53 2HA GLY 53 -4.058 -14.530 2.340
389 HA3 GLY 53 1HA GLY 53 -3.240 -14.786 0.789
390 H PHE 54 H PHE 54 -1.223 -14.161 0.781
391 HA PHE 54 HA PHE 54 -0.552 -11.872 2.484
392 HB2 PHE 54 2HB PHE 54 1.212 -14.209 1.770
393 HB3 PHE 54 1HB PHE 54 1.762 -12.744 2.596
394 HD1 PHE 54 1HD PHE 54 0.966 -12.239 4.864
395 HD2 PHE 54 2HD PHE 54 0.012 -15.910 2.937
396 HE1 PHE 54 1HE PHE 54 0.330 -13.205 7.033
397 HE2 PHE 54 2HE PHE 54 -0.628 -16.885 5.103
398 HZ PHE 54 HZ PHE 54 -0.470 -15.532 7.156
399 H CYS 55 H CYS 55 0.853 -10.456 1.803
400 HA CYS 55 HA CYS 55 0.832 -9.904 -1.053
401 HB2 CYS 55 2HB CYS 55 0.260 -8.161 0.568
402 HB3 CYS 55 1HB CYS 55 1.803 -8.464 1.373
403 H ASP 56 H ASP 56 2.632 -10.575 -2.301
404 HA ASP 56 HA ASP 56 5.122 -10.542 -0.736
405 HB2 ASP 56 2HB ASP 56 4.388 -12.808 -1.760
406 HB3 ASP 56 1HB ASP 56 4.897 -12.120 -3.302
407 H MET 57 H MET 57 7.071 -10.475 -2.784
408 HA MET 57 HA MET 57 7.205 -7.738 -3.186
409 HB2 MET 57 2HB MET 57 9.065 -9.120 -2.609
410 HB3 MET 57 1HB MET 57 8.759 -10.190 -3.963
411 HG2 MET 57 2HG MET 57 9.282 -8.543 -5.448
412 HG3 MET 57 1HG MET 57 9.534 -7.348 -4.149
413 HE1 MET 57 3HE MET 57 11.790 -7.951 -6.409
414 HE2 MET 57 1HE MET 57 13.249 -8.024 -5.421
415 HE3 MET 57 2HE MET 57 12.028 -6.793 -5.100
416 H ASN 58 H ASN 58 5.770 -10.270 -4.820
417 HA ASN 58 HA ASN 58 5.960 -9.598 -7.550
418 HB2 ASN 58 2HB ASN 58 3.660 -10.921 -6.081
419 HB3 ASN 58 1HB ASN 58 3.938 -10.960 -7.812
420 HD21 ASN 58 1HD2 ASN 58 3.632 -13.177 -5.882
421 HD22 ASN 58 2HD2 ASN 58 5.073 -14.079 -6.027
422 H GLY 59 H GLY 59 4.135 -8.277 -4.862
423 HA2 GLY 59 2HA GLY 59 2.526 -6.566 -4.757
424 HA3 GLY 59 1HA GLY 59 2.831 -6.272 -6.492
425 H LYS 60 H LYS 60 2.117 -9.246 -4.983
426 HA LYS 60 HA LYS 60 -0.693 -9.322 -5.794
427 HB2 LYS 60 2HB LYS 60 1.443 -11.272 -6.488
428 HB3 LYS 60 1HB LYS 60 -0.244 -11.725 -6.409
429 HG2 LYS 60 2HG LYS 60 -0.001 -11.346 -8.700
430 HG3 LYS 60 1HG LYS 60 -0.601 -9.797 -8.114
431 HD2 LYS 60 2HD LYS 60 1.909 -9.181 -7.908
432 HD3 LYS 60 1HD LYS 60 2.163 -10.554 -8.985
433 HE2 LYS 60 2HE LYS 60 2.044 -8.548 -10.298
434 HE3 LYS 60 1HE LYS 60 0.594 -9.510 -10.597
435 HZ1 LYS 60 3HZ LYS 60 0.086 -7.097 -10.231
436 HZ2 LYS 60 1HZ LYS 60 0.699 -7.244 -8.672
437 HZ3 LYS 60 2HZ LYS 60 -0.656 -8.073 -9.108
438 H CYS 61 H CYS 61 -1.627 -11.066 -5.011
439 HA CYS 61 HA CYS 61 -0.758 -11.392 -2.286
440 HB2 CYS 61 2HB CYS 61 -3.222 -10.717 -3.622
441 HB3 CYS 61 1HB CYS 61 -3.402 -11.669 -2.107
442 H GLU 62 H GLU 62 -0.214 -13.310 -1.899
443 HA GLU 62 HA GLU 62 -0.962 -15.489 -3.608
444 HB2 GLU 62 2HB GLU 62 1.049 -15.563 -1.359
445 HB3 GLU 62 1HB GLU 62 0.999 -16.551 -2.801
446 HG2 GLU 62 2HG GLU 62 1.820 -13.634 -2.689
447 HG3 GLU 62 1HG GLU 62 2.917 -14.997 -2.758
Start of MODEL 9
1 H PHE 1 1HT PHE 1 6.997 4.850 4.300
2 HA PHE 1 HA PHE 1 6.692 3.812 2.414
3 HB2 PHE 1 2HB PHE 1 4.759 2.104 2.178
4 HB3 PHE 1 1HB PHE 1 6.321 1.537 2.759
5 HD1 PHE 1 2HD PHE 1 6.544 1.108 5.251
6 HD2 PHE 1 1HD PHE 1 2.793 1.811 3.372
7 HE1 PHE 1 2HE PHE 1 5.399 0.059 7.157
8 HE2 PHE 1 1HE PHE 1 1.648 0.746 5.270
9 HZ PHE 1 HZ PHE 1 2.946 -0.125 7.162
10 H CYS 2 H CYS 2 3.909 4.543 4.513
11 HA CYS 2 HA CYS 2 3.416 6.539 2.474
12 HB2 CYS 2 2HB CYS 2 1.619 4.962 2.299
13 HB3 CYS 2 1HB CYS 2 1.351 5.009 4.040
14 H GLU 3 H GLU 3 3.519 5.737 5.813
15 HA GLU 3 HA GLU 3 2.397 8.019 6.898
16 HB2 GLU 3 2HB GLU 3 3.809 7.388 8.952
17 HB3 GLU 3 1HB GLU 3 2.499 6.308 8.467
18 HG2 GLU 3 2HG GLU 3 5.464 5.910 7.925
19 HG3 GLU 3 1HG GLU 3 4.570 5.164 9.241
20 H ARG 4 H ARG 4 5.849 7.327 6.882
21 HA ARG 4 HA ARG 4 6.534 9.890 7.646
22 HB2 ARG 4 2HB ARG 4 8.149 8.201 8.037
23 HB3 ARG 4 1HB ARG 4 8.159 7.710 6.352
24 HG2 ARG 4 2HG ARG 4 10.213 8.910 7.020
25 HG3 ARG 4 1HG ARG 4 9.342 9.718 5.719
26 HD2 ARG 4 2HD ARG 4 8.331 11.233 7.425
27 HD3 ARG 4 1HD ARG 4 9.360 10.478 8.643
28 HE ARG 4 HE ARG 4 11.212 11.464 7.705
29 HH11 ARG 4 1HH1 ARG 4 8.313 12.290 5.772
30 HH12 ARG 4 2HH1 ARG 4 8.965 13.660 5.058
31 HH21 ARG 4 1HH2 ARG 4 12.159 13.421 6.681
32 HH22 ARG 4 2HH2 ARG 4 11.228 14.331 5.591
33 H GLU 5 H GLU 5 6.396 8.391 4.470
34 HA GLU 5 HA GLU 5 7.454 10.270 2.904
35 HB2 GLU 5 2HB GLU 5 5.327 8.220 2.370
36 HB3 GLU 5 1HB GLU 5 6.251 9.065 1.134
37 HG2 GLU 5 2HG GLU 5 7.425 6.991 1.370
38 HG3 GLU 5 1HG GLU 5 8.285 8.205 2.355
39 H GLN 6 H GLN 6 3.840 9.967 3.558
40 HA GLN 6 HA GLN 6 3.752 12.700 2.626
41 HB2 GLN 6 2HB GLN 6 1.490 11.988 1.478
42 HB3 GLN 6 1HB GLN 6 3.026 11.992 0.569
43 HG2 GLN 6 2HG GLN 6 3.019 9.503 1.170
44 HG3 GLN 6 1HG GLN 6 1.351 9.755 1.689
45 HE21 GLN 6 1HE2 GLN 6 2.932 11.395 -1.036
46 HE22 GLN 6 2HE2 GLN 6 1.955 10.657 -2.245
47 H GLN 7 H GLN 7 3.368 10.998 4.985
48 HA GLN 7 HA GLN 7 2.520 11.165 6.814
49 HB2 GLN 7 2HB GLN 7 1.754 13.911 5.894
50 HB3 GLN 7 1HB GLN 7 1.463 13.400 7.554
51 HG2 GLN 7 2HG GLN 7 4.142 13.084 6.313
52 HG3 GLN 7 1HG GLN 7 3.659 14.649 6.989
53 HE21 GLN 7 1HE2 GLN 7 4.392 11.298 7.716
54 HE22 GLN 7 2HE2 GLN 7 4.583 11.554 9.423
55 H LEU 8 H LEU 8 0.828 9.969 4.862
56 HA LEU 8 HA LEU 8 -1.814 10.417 5.990
57 HB2 LEU 8 2HB LEU 8 -0.911 8.571 3.777
58 HB3 LEU 8 1HB LEU 8 -2.491 8.486 4.492
59 HG LEU 8 HG LEU 8 -2.933 9.544 2.619
60 HD11 LEU 8 1HD1 LEU 8 -3.373 11.874 2.924
61 HD12 LEU 8 2HD1 LEU 8 -2.442 11.803 4.437
62 HD13 LEU 8 3HD1 LEU 8 -3.862 10.760 4.206
63 HD21 LEU 8 3HD2 LEU 8 -1.549 11.187 1.425
64 HD22 LEU 8 1HD2 LEU 8 -0.872 9.598 1.693
65 HD23 LEU 8 2HD2 LEU 8 -0.251 10.992 2.614
66 H GLU 9 H GLU 9 -2.895 8.441 6.459
67 HA GLU 9 HA GLU 9 -1.407 6.688 8.220
68 HB2 GLU 9 2HB GLU 9 -3.911 7.545 8.363
69 HB3 GLU 9 1HB GLU 9 -4.063 6.321 7.092
70 HG2 GLU 9 2HG GLU 9 -3.514 4.564 8.557
71 HG3 GLU 9 1HG GLU 9 -3.173 5.699 9.874
72 H SER 10 H SER 10 -0.971 4.565 7.517
73 HA SER 10 HA SER 10 -0.997 4.245 4.667
74 HB2 SER 10 2HB SER 10 0.156 2.772 6.946
75 HB3 SER 10 1HB SER 10 0.430 2.369 5.187
76 HG SER 10 HG SER 10 1.964 3.820 6.622
77 H CYS 11 H CYS 11 -1.988 2.432 3.748
78 HA CYS 11 HA CYS 11 -3.745 0.883 5.471
79 HB2 CYS 11 2HB CYS 11 -5.845 1.678 4.614
80 HB3 CYS 11 1HB CYS 11 -4.881 3.140 4.709
81 H ALA 12 H ALA 12 -5.263 -0.474 3.713
82 HA ALA 12 HA ALA 12 -3.480 -1.366 1.599
83 HB1 ALA 12 1HB ALA 12 -4.113 -3.690 2.131
84 HB2 ALA 12 2HB ALA 12 -4.998 -3.097 3.543
85 HB3 ALA 12 3HB ALA 12 -3.246 -2.924 3.466
86 H CYS 13 H CYS 13 -4.535 -1.236 -0.248
87 HA CYS 13 HA CYS 13 -7.262 -0.590 -0.537
88 HB2 CYS 13 2HB CYS 13 -5.258 -1.717 -2.492
89 HB3 CYS 13 1HB CYS 13 -6.790 -0.963 -2.911
90 H ASN 14 H ASN 14 -8.932 -1.672 -1.511
91 HA ASN 14 HA ASN 14 -9.428 -4.051 -0.034
92 HB2 ASN 14 2HB ASN 14 -11.065 -2.140 -0.453
93 HB3 ASN 14 1HB ASN 14 -11.188 -2.706 -2.104
94 HD21 ASN 14 1HD2 ASN 14 -11.217 -5.592 -1.253
95 HD22 ASN 14 2HD2 ASN 14 -12.790 -5.817 -0.560
96 H GLU 15 H GLU 15 -8.490 -3.146 -3.175
97 HA GLU 15 HA GLU 15 -9.264 -5.385 -4.525
98 HB2 GLU 15 2HB GLU 15 -6.845 -3.729 -5.153
99 HB3 GLU 15 1HB GLU 15 -7.772 -4.682 -6.307
100 HG2 GLU 15 2HG GLU 15 -8.440 -2.530 -6.782
101 HG3 GLU 15 1HG GLU 15 -9.692 -3.027 -5.639
102 H THR 16 H THR 16 -8.123 -7.393 -4.739
103 HA THR 16 HA THR 16 -6.375 -8.309 -2.798
104 HB THR 16 HB THR 16 -6.778 -9.240 -5.636
105 HG1 THR 16 1HG THR 16 -8.432 -10.262 -4.865
106 HG21 THR 16 3HG2 THR 16 -5.550 -10.806 -3.326
107 HG22 THR 16 1HG2 THR 16 -4.646 -10.012 -4.645
108 HG23 THR 16 2HG2 THR 16 -5.769 -11.337 -4.996
109 H ASP 17 H ASP 17 -5.635 -7.300 -6.072
110 HA ASP 17 HA ASP 17 -3.010 -7.833 -5.997
111 HB2 ASP 17 2HB ASP 17 -4.366 -5.668 -7.545
112 HB3 ASP 17 1HB ASP 17 -2.937 -6.578 -8.056
113 H ASN 18 H ASN 18 -4.862 -4.846 -5.335
114 HA ASN 18 HA ASN 18 -2.500 -3.322 -4.922
115 HB2 ASN 18 2HB ASN 18 -5.379 -2.460 -4.689
116 HB3 ASN 18 1HB ASN 18 -4.022 -1.412 -4.337
117 HD21 ASN 18 1HD2 ASN 18 -6.065 -1.090 -6.283
118 HD22 ASN 18 2HD2 ASN 18 -5.285 -1.009 -7.829
119 H SER 19 H SER 19 -4.213 -5.319 -2.997
120 HA SER 19 HA SER 19 -3.751 -3.844 -0.565
121 HB2 SER 19 2HB SER 19 -4.333 -5.924 0.687
122 HB3 SER 19 1HB SER 19 -5.531 -5.575 -0.562
123 HG SER 19 HG SER 19 -4.220 -7.175 -1.849
124 H CYS 20 H CYS 20 -1.832 -5.255 -2.676
125 HA CYS 20 HA CYS 20 0.371 -5.753 -0.850
126 HB2 CYS 20 2HB CYS 20 -0.301 -6.589 -3.607
127 HB3 CYS 20 1HB CYS 20 1.389 -6.622 -3.062
128 H LYS 21 H LYS 21 -0.889 -3.139 -2.258
129 HA LYS 21 HA LYS 21 1.730 -1.858 -2.707
130 HB2 LYS 21 2HB LYS 21 -0.968 -1.265 -3.818
131 HB3 LYS 21 1HB LYS 21 0.522 -0.387 -4.213
132 HG2 LYS 21 2HG LYS 21 -0.371 -3.139 -5.087
133 HG3 LYS 21 1HG LYS 21 -0.037 -1.736 -6.107
134 HD2 LYS 21 2HD LYS 21 2.343 -1.881 -5.498
135 HD3 LYS 21 1HD LYS 21 1.923 -3.240 -4.436
136 HE2 LYS 21 2HE LYS 21 1.174 -4.535 -6.361
137 HE3 LYS 21 1HE LYS 21 1.574 -3.197 -7.433
138 HZ1 LYS 21 3HZ LYS 21 3.534 -4.756 -5.799
139 HZ2 LYS 21 1HZ LYS 21 3.915 -3.472 -6.845
140 HZ3 LYS 21 2HZ LYS 21 3.249 -4.921 -7.428
141 H VAL 22 H VAL 22 1.976 -0.042 -2.201
142 HA VAL 22 HA VAL 22 1.077 0.298 0.434
143 HB VAL 22 HB VAL 22 2.799 2.062 -1.298
144 HG11 VAL 22 1HG1 VAL 22 3.445 3.080 0.830
145 HG12 VAL 22 2HG1 VAL 22 2.194 2.076 1.630
146 HG13 VAL 22 3HG1 VAL 22 1.731 3.257 0.409
147 HG21 VAL 22 3HG2 VAL 22 3.527 -0.045 0.794
148 HG22 VAL 22 1HG2 VAL 22 4.654 0.948 -0.143
149 HG23 VAL 22 2HG2 VAL 22 3.597 -0.282 -0.913
150 H CYS 23 H CYS 23 -0.773 0.836 0.594
151 HA CYS 23 HA CYS 23 -1.863 3.133 -0.897
152 HB2 CYS 23 2HB CYS 23 -3.421 1.292 0.914
153 HB3 CYS 23 1HB CYS 23 -4.027 2.477 -0.251
154 H CYS 24 H CYS 24 -3.190 4.674 0.271
155 HA CYS 24 HA CYS 24 -2.132 5.396 2.862
156 HB2 CYS 24 2HB CYS 24 -2.421 7.077 0.343
157 HB3 CYS 24 1HB CYS 24 -2.111 7.800 1.913
158 H ARG 25 H ARG 25 -3.715 6.943 3.885
159 HA ARG 25 HA ARG 25 -6.348 6.062 3.013
160 HB2 ARG 25 2HB ARG 25 -5.153 5.069 5.121
161 HB3 ARG 25 1HB ARG 25 -5.605 6.603 5.833
162 HG2 ARG 25 2HG ARG 25 -7.709 5.143 4.438
163 HG3 ARG 25 1HG ARG 25 -7.151 4.442 5.967
164 HD2 ARG 25 2HD ARG 25 -8.133 7.279 5.525
165 HD3 ARG 25 1HD ARG 25 -9.100 5.972 6.218
166 HE ARG 25 HE ARG 25 -7.023 5.975 7.859
167 HH11 ARG 25 1HH1 ARG 25 -8.817 8.767 6.605
168 HH12 ARG 25 2HH1 ARG 25 -8.723 9.662 8.049
169 HH21 ARG 25 1HH2 ARG 25 -6.806 7.176 9.780
170 HH22 ARG 25 2HH2 ARG 25 -7.499 8.714 9.975
171 H ASP 26 H ASP 26 -7.721 7.641 2.643
172 HA ASP 26 HA ASP 26 -6.732 10.349 2.974
173 HB2 ASP 26 2HB ASP 26 -7.965 10.857 1.076
174 HB3 ASP 26 1HB ASP 26 -7.535 9.178 0.746
175 H LEU 27 H LEU 27 -8.919 11.586 2.768
176 HA LEU 27 HA LEU 27 -9.610 12.002 5.398
177 HB2 LEU 27 2HB LEU 27 -10.656 13.066 2.866
178 HB3 LEU 27 1HB LEU 27 -11.136 13.781 4.414
179 HG LEU 27 HG LEU 27 -8.523 14.192 4.574
180 HD11 LEU 27 1HD1 LEU 27 -7.527 14.607 2.325
181 HD12 LEU 27 2HD1 LEU 27 -8.943 13.768 1.633
182 HD13 LEU 27 3HD1 LEU 27 -7.851 12.910 2.694
183 HD21 LEU 27 3HD2 LEU 27 -10.186 15.962 4.463
184 HD22 LEU 27 1HD2 LEU 27 -10.300 15.759 2.715
185 HD23 LEU 27 2HD2 LEU 27 -8.802 16.349 3.439
186 H SER 28 H SER 28 -11.230 10.667 2.597
187 HA SER 28 HA SER 28 -13.736 10.450 3.892
188 HB2 SER 28 2HB SER 28 -13.696 10.914 1.497
189 HB3 SER 28 1HB SER 28 -12.781 9.442 1.190
190 HG SER 28 HG SER 28 -14.853 8.662 2.494
191 H GLY 29 H GLY 29 -10.926 8.889 4.042
192 HA2 GLY 29 2HA GLY 29 -10.234 7.146 4.970
193 HA3 GLY 29 1HA GLY 29 -11.868 6.746 5.545
194 H ARG 30 H ARG 30 -10.621 7.077 2.235
195 HA ARG 30 HA ARG 30 -11.369 4.323 1.641
196 HB2 ARG 30 2HB ARG 30 -10.469 6.485 -0.272
197 HB3 ARG 30 1HB ARG 30 -11.356 5.022 -0.641
198 HG2 ARG 30 2HG ARG 30 -12.464 7.391 0.863
199 HG3 ARG 30 1HG ARG 30 -12.703 7.089 -0.853
200 HD2 ARG 30 2HD ARG 30 -14.662 6.424 0.343
201 HD3 ARG 30 1HD ARG 30 -13.844 4.965 -0.239
202 HE ARG 30 HE ARG 30 -12.914 5.339 2.276
203 HH11 ARG 30 1HH1 ARG 30 -16.174 5.024 0.975
204 HH12 ARG 30 2HH1 ARG 30 -16.838 4.299 2.368
205 HH21 ARG 30 1HH2 ARG 30 -13.735 4.381 4.148
206 HH22 ARG 30 2HH2 ARG 30 -15.372 3.915 4.299
207 H CYS 31 H CYS 31 -9.688 3.440 -0.047
208 HA CYS 31 HA CYS 31 -7.067 4.105 0.965
209 HB2 CYS 31 2HB CYS 31 -8.230 1.528 0.055
210 HB3 CYS 31 1HB CYS 31 -6.499 1.807 -0.162
211 H VAL 32 H VAL 32 -5.849 5.203 -0.215
212 HA VAL 32 HA VAL 32 -6.231 4.988 -2.978
213 HB VAL 32 HB VAL 32 -4.909 7.300 -2.978
214 HG11 VAL 32 1HG1 VAL 32 -7.094 8.411 -3.083
215 HG12 VAL 32 2HG1 VAL 32 -7.835 6.982 -2.338
216 HG13 VAL 32 3HG1 VAL 32 -7.042 6.851 -3.921
217 HG21 VAL 32 3HG2 VAL 32 -4.737 7.140 -0.438
218 HG22 VAL 32 1HG2 VAL 32 -6.445 7.554 -0.351
219 HG23 VAL 32 2HG2 VAL 32 -5.308 8.690 -1.070
220 HA PRO 33 HA PRO 33 -2.213 3.134 -2.996
221 HB2 PRO 33 2HB PRO 33 -1.581 3.674 -5.630
222 HB3 PRO 33 1HB PRO 33 -2.645 2.341 -5.137
223 HG2 PRO 33 2HG PRO 33 -3.380 5.030 -6.170
224 HG3 PRO 33 1HG PRO 33 -4.111 3.449 -6.518
225 HD2 PRO 33 2HD PRO 33 -5.281 5.169 -4.794
226 HD3 PRO 33 1HD PRO 33 -5.313 3.411 -4.547
227 H TYR 34 H TYR 34 -0.259 4.009 -2.239
228 HA TYR 34 HA TYR 34 0.155 6.775 -2.308
229 HB2 TYR 34 2HB TYR 34 1.192 5.893 -0.534
230 HB3 TYR 34 1HB TYR 34 1.654 4.402 -1.367
231 HD1 TYR 34 1HD TYR 34 2.750 8.016 -0.651
232 HD2 TYR 34 2HD TYR 34 3.829 4.291 -2.550
233 HE1 TYR 34 1HE TYR 34 4.858 8.697 -0.801
234 HE2 TYR 34 2HE TYR 34 6.021 5.113 -2.716
235 HH TYR 34 HH TYR 34 7.088 7.801 -0.985
236 H VAL 35 H VAL 35 1.321 8.021 -3.541
237 HA VAL 35 HA VAL 35 3.331 6.931 -5.143
238 HB VAL 35 HB VAL 35 2.006 9.130 -6.363
239 HG11 VAL 35 1HG1 VAL 35 3.688 8.046 -7.421
240 HG12 VAL 35 2HG1 VAL 35 2.251 7.903 -8.438
241 HG13 VAL 35 3HG1 VAL 35 2.816 6.512 -7.488
242 HG21 VAL 35 3HG2 VAL 35 -0.027 8.076 -5.557
243 HG22 VAL 35 1HG2 VAL 35 0.321 6.625 -6.478
244 HG23 VAL 35 2HG2 VAL 35 -0.016 8.148 -7.336
245 H ASP 36 H ASP 36 4.910 8.506 -4.915
246 HA ASP 36 HA ASP 36 3.981 11.118 -3.886
247 HB2 ASP 36 2HB ASP 36 5.084 9.722 -2.208
248 HB3 ASP 36 1HB ASP 36 6.538 9.676 -3.256
249 H ALA 37 H ALA 37 5.311 12.491 -4.081
250 HA ALA 37 HA ALA 37 4.234 13.550 -6.112
251 HB1 ALA 37 1HB ALA 37 5.379 14.399 -4.347
252 HB2 ALA 37 2HB ALA 37 5.561 15.427 -5.814
253 HB3 ALA 37 3HB ALA 37 6.909 14.383 -5.224
254 H GLU 38 H GLU 38 7.336 11.834 -6.678
255 HA GLU 38 HA GLU 38 7.765 12.850 -9.172
256 HB2 GLU 38 2HB GLU 38 8.690 10.537 -7.677
257 HB3 GLU 38 1HB GLU 38 9.578 11.094 -9.133
258 HG2 GLU 38 2HG GLU 38 10.873 12.117 -7.539
259 HG3 GLU 38 1HG GLU 38 9.512 13.233 -7.341
260 H GLN 39 H GLN 39 5.337 10.790 -8.016
261 HA GLN 39 HA GLN 39 4.026 9.399 -8.652
262 HB2 GLN 39 2HB GLN 39 5.543 9.828 -11.031
263 HB3 GLN 39 1HB GLN 39 4.203 8.617 -11.134
264 HG2 GLN 39 2HG GLN 39 2.706 10.460 -10.407
265 HG3 GLN 39 1HG GLN 39 4.109 11.525 -10.355
266 HE21 GLN 39 1HE2 GLN 39 4.989 12.226 -12.294
267 HE22 GLN 39 2HE2 GLN 39 4.140 12.101 -13.805
268 H LYS 40 H LYS 40 6.460 8.888 -7.325
269 HA LYS 40 HA LYS 40 7.216 6.270 -8.086
270 HB2 LYS 40 2HB LYS 40 8.581 6.279 -6.223
271 HB3 LYS 40 1HB LYS 40 8.658 7.852 -7.134
272 HG2 LYS 40 2HG LYS 40 7.553 8.992 -5.356
273 HG3 LYS 40 1HG LYS 40 7.244 7.461 -4.515
274 HD2 LYS 40 2HD LYS 40 9.657 7.121 -4.193
275 HD3 LYS 40 1HD LYS 40 9.999 8.606 -5.069
276 HE2 LYS 40 2HE LYS 40 8.405 8.529 -2.500
277 HE3 LYS 40 1HE LYS 40 10.151 8.720 -2.539
278 HZ1 LYS 40 3HZ LYS 40 8.400 10.537 -4.056
279 HZ2 LYS 40 1HZ LYS 40 9.928 10.818 -3.613
280 HZ3 LYS 40 2HZ LYS 40 8.632 10.885 -2.481
281 H ASN 41 H ASN 41 6.652 4.436 -7.175
282 HA ASN 41 HA ASN 41 4.401 4.445 -5.302
283 HB2 ASN 41 2HB ASN 41 3.794 4.084 -7.722
284 HB3 ASN 41 1HB ASN 41 4.943 2.746 -7.634
285 HD21 ASN 41 1HD2 ASN 41 1.873 3.853 -6.203
286 HD22 ASN 41 2HD2 ASN 41 1.233 2.276 -5.961
287 H LEU 42 H LEU 42 4.211 1.872 -4.822
288 HA LEU 42 HA LEU 42 6.798 0.719 -4.142
289 HB2 LEU 42 2HB LEU 42 4.908 1.741 -2.090
290 HB3 LEU 42 1HB LEU 42 6.199 0.613 -1.768
291 HG LEU 42 HG LEU 42 6.664 3.341 -2.857
292 HD11 LEU 42 1HD1 LEU 42 6.155 2.350 -0.078
293 HD12 LEU 42 2HD1 LEU 42 5.483 3.723 -0.998
294 HD13 LEU 42 3HD1 LEU 42 7.140 3.815 -0.384
295 HD21 LEU 42 3HD2 LEU 42 8.879 3.018 -1.846
296 HD22 LEU 42 1HD2 LEU 42 8.530 1.748 -3.020
297 HD23 LEU 42 2HD2 LEU 42 8.395 1.414 -1.292
298 H PHE 43 H PHE 43 6.630 -1.425 -3.673
299 HA PHE 43 HA PHE 43 4.186 -2.698 -3.676
300 HB2 PHE 43 2HB PHE 43 5.650 -4.651 -3.892
301 HB3 PHE 43 1HB PHE 43 6.186 -3.251 -4.850
302 HD1 PHE 43 1HD PHE 43 8.224 -2.094 -4.476
303 HD2 PHE 43 2HD PHE 43 7.100 -5.353 -1.979
304 HE1 PHE 43 1HE PHE 43 10.509 -2.192 -3.577
305 HE2 PHE 43 2HE PHE 43 9.382 -5.451 -1.075
306 HZ PHE 43 HZ PHE 43 11.090 -3.870 -1.874
307 H LEU 44 H LEU 44 3.442 -3.825 -1.672
308 HA LEU 44 HA LEU 44 4.576 -2.885 0.580
309 HB2 LEU 44 2HB LEU 44 2.236 -4.629 0.048
310 HB3 LEU 44 1HB LEU 44 2.888 -4.636 1.671
311 HG LEU 44 HG LEU 44 1.932 -2.147 0.237
312 HD11 LEU 44 1HD1 LEU 44 0.021 -2.283 1.750
313 HD12 LEU 44 2HD1 LEU 44 0.635 -3.814 2.375
314 HD13 LEU 44 3HD1 LEU 44 0.098 -3.700 0.701
315 HD21 LEU 44 3HD2 LEU 44 2.663 -2.639 3.124
316 HD22 LEU 44 1HD2 LEU 44 2.071 -1.129 2.443
317 HD23 LEU 44 2HD2 LEU 44 3.653 -1.748 1.971
318 H ARG 45 H ARG 45 4.829 -4.859 2.387
319 HA ARG 45 HA ARG 45 7.114 -6.302 1.719
320 HB2 ARG 45 2HB ARG 45 5.817 -5.676 4.021
321 HB3 ARG 45 1HB ARG 45 5.459 -7.396 3.750
322 HG2 ARG 45 2HG ARG 45 7.877 -7.909 3.606
323 HG3 ARG 45 1HG ARG 45 8.200 -6.259 4.134
324 HD2 ARG 45 2HD ARG 45 7.015 -6.633 6.193
325 HD3 ARG 45 1HD ARG 45 6.525 -8.240 5.662
326 HE ARG 45 HE ARG 45 9.223 -7.389 6.398
327 HH11 ARG 45 1HH1 ARG 45 7.008 -10.081 5.561
328 HH12 ARG 45 2HH1 ARG 45 7.909 -11.269 6.334
329 HH21 ARG 45 1HH2 ARG 45 10.517 -9.102 7.472
330 HH22 ARG 45 2HH2 ARG 45 9.965 -10.707 7.445
331 H LYS 46 H LYS 46 7.173 -8.621 2.286
332 HA LYS 46 HA LYS 46 5.388 -10.219 0.581
333 HB2 LYS 46 2HB LYS 46 7.717 -10.266 -0.098
334 HB3 LYS 46 1HB LYS 46 8.238 -10.603 1.536
335 HG2 LYS 46 2HG LYS 46 8.469 -12.575 0.174
336 HG3 LYS 46 1HG LYS 46 7.215 -12.839 1.377
337 HD2 LYS 46 2HD LYS 46 5.492 -12.523 -0.293
338 HD3 LYS 46 1HD LYS 46 6.701 -12.079 -1.505
339 HE2 LYS 46 2HE LYS 46 7.693 -14.308 -1.354
340 HE3 LYS 46 1HE LYS 46 6.534 -14.753 -0.105
341 HZ1 LYS 46 3HZ LYS 46 5.743 -13.990 -2.882
342 HZ2 LYS 46 1HZ LYS 46 4.765 -14.617 -1.672
343 HZ3 LYS 46 2HZ LYS 46 5.903 -15.587 -2.338
344 H GLY 47 H GLY 47 4.202 -11.806 1.504
345 HA2 GLY 47 2HA GLY 47 3.434 -13.319 3.063
346 HA3 GLY 47 1HA GLY 47 4.850 -12.979 4.066
347 H LYS 48 H LYS 48 3.067 -10.354 2.888
348 HA LYS 48 HA LYS 48 2.264 -9.657 5.579
349 HB2 LYS 48 2HB LYS 48 3.388 -7.977 4.333
350 HB3 LYS 48 1HB LYS 48 2.416 -8.264 2.918
351 HG2 LYS 48 2HG LYS 48 1.217 -7.093 5.428
352 HG3 LYS 48 1HG LYS 48 2.090 -6.078 4.280
353 HD2 LYS 48 2HD LYS 48 0.553 -6.739 2.506
354 HD3 LYS 48 1HD LYS 48 -0.287 -7.816 3.620
355 HE2 LYS 48 2HE LYS 48 -0.914 -5.889 4.985
356 HE3 LYS 48 1HE LYS 48 -0.121 -4.805 3.848
357 HZ1 LYS 48 3HZ LYS 48 -2.495 -4.936 3.397
358 HZ2 LYS 48 1HZ LYS 48 -2.381 -6.621 3.301
359 HZ3 LYS 48 2HZ LYS 48 -1.650 -5.646 2.113
360 HA PRO 49 HA PRO 49 -1.901 -11.282 4.998
361 HB2 PRO 49 2HB PRO 49 -2.740 -9.032 6.756
362 HB3 PRO 49 1HB PRO 49 -3.021 -10.775 6.960
363 HG2 PRO 49 2HG PRO 49 -1.263 -9.542 8.484
364 HG3 PRO 49 1HG PRO 49 -0.940 -11.168 7.849
365 HD2 PRO 49 2HD PRO 49 0.177 -8.553 6.948
366 HD3 PRO 49 1HD PRO 49 0.958 -10.144 7.086
367 H CYS 50 H CYS 50 -2.898 -10.874 3.087
368 HA CYS 50 HA CYS 50 -3.611 -8.139 2.536
369 HB2 CYS 50 2HB CYS 50 -3.543 -8.642 0.166
370 HB3 CYS 50 1HB CYS 50 -2.018 -9.090 0.897
371 H THR 51 H THR 51 -5.457 -8.959 0.373
372 HA THR 51 HA THR 51 -7.832 -9.119 1.782
373 HB THR 51 HB THR 51 -8.724 -9.658 -0.551
374 HG1 THR 51 1HG THR 51 -7.312 -9.829 -2.172
375 HG21 THR 51 3HG2 THR 51 -8.094 -7.479 -1.432
376 HG22 THR 51 1HG2 THR 51 -6.752 -7.437 -0.294
377 HG23 THR 51 2HG2 THR 51 -8.420 -7.351 0.313
378 H VAL 52 H VAL 52 -6.315 -11.405 -0.269
379 HA VAL 52 HA VAL 52 -8.134 -13.485 0.623
380 HB VAL 52 HB VAL 52 -7.440 -14.757 -1.351
381 HG11 VAL 52 1HG1 VAL 52 -8.285 -11.886 -1.778
382 HG12 VAL 52 2HG1 VAL 52 -9.337 -13.286 -1.546
383 HG13 VAL 52 3HG1 VAL 52 -8.382 -13.132 -3.023
384 HG21 VAL 52 3HG2 VAL 52 -5.117 -13.799 -1.442
385 HG22 VAL 52 1HG2 VAL 52 -5.781 -12.330 -2.148
386 HG23 VAL 52 2HG2 VAL 52 -5.926 -13.859 -3.003
387 H GLY 53 H GLY 53 -4.856 -12.712 1.197
388 HA2 GLY 53 2HA GLY 53 -4.519 -14.725 2.980
389 HA3 GLY 53 1HA GLY 53 -3.871 -15.310 1.440
390 H PHE 54 H PHE 54 -1.802 -14.977 1.176
391 HA PHE 54 HA PHE 54 -0.500 -12.932 2.823
392 HB2 PHE 54 2HB PHE 54 0.730 -15.267 1.334
393 HB3 PHE 54 1HB PHE 54 1.623 -14.066 2.267
394 HD1 PHE 54 1HD PHE 54 1.376 -13.966 4.709
395 HD2 PHE 54 2HD PHE 54 -0.417 -17.059 2.406
396 HE1 PHE 54 1HE PHE 54 1.083 -15.308 6.749
397 HE2 PHE 54 2HE PHE 54 -0.718 -18.408 4.440
398 HZ PHE 54 HZ PHE 54 0.032 -17.533 6.617
399 H CYS 55 H CYS 55 1.023 -11.609 1.908
400 HA CYS 55 HA CYS 55 0.192 -10.775 -0.750
401 HB2 CYS 55 2HB CYS 55 -0.087 -9.223 1.095
402 HB3 CYS 55 1HB CYS 55 1.609 -9.384 1.476
403 H ASP 56 H ASP 56 1.685 -10.256 -2.351
404 HA ASP 56 HA ASP 56 4.416 -10.996 -1.801
405 HB2 ASP 56 2HB ASP 56 3.247 -12.698 -3.142
406 HB3 ASP 56 1HB ASP 56 2.788 -11.431 -4.283
407 H MET 57 H MET 57 5.899 -9.885 -3.326
408 HA MET 57 HA MET 57 5.929 -7.192 -3.261
409 HB2 MET 57 2HB MET 57 7.681 -8.978 -3.495
410 HB3 MET 57 1HB MET 57 7.263 -9.054 -5.189
411 HG2 MET 57 2HG MET 57 8.172 -6.664 -3.761
412 HG3 MET 57 1HG MET 57 9.261 -7.797 -4.577
413 HE1 MET 57 3HE MET 57 9.511 -4.747 -5.307
414 HE2 MET 57 1HE MET 57 9.493 -4.764 -7.070
415 HE3 MET 57 2HE MET 57 10.386 -6.001 -6.186
416 H ASN 58 H ASN 58 5.058 -9.385 -5.913
417 HA ASN 58 HA ASN 58 4.976 -7.567 -8.046
418 HB2 ASN 58 2HB ASN 58 4.989 -9.957 -8.444
419 HB3 ASN 58 1HB ASN 58 3.438 -10.141 -7.638
420 HD21 ASN 58 1HD2 ASN 58 1.497 -9.556 -8.785
421 HD22 ASN 58 2HD2 ASN 58 1.557 -9.234 -10.472
422 H GLY 59 H GLY 59 2.663 -8.281 -5.615
423 HA2 GLY 59 2HA GLY 59 0.749 -6.878 -5.230
424 HA3 GLY 59 1HA GLY 59 0.665 -6.597 -6.981
425 H LYS 60 H LYS 60 0.938 -9.287 -4.787
426 HA LYS 60 HA LYS 60 -1.176 -10.819 -6.078
427 HB2 LYS 60 2HB LYS 60 0.299 -11.714 -7.467
428 HB3 LYS 60 1HB LYS 60 1.689 -11.055 -6.540
429 HG2 LYS 60 2HG LYS 60 1.492 -13.041 -5.055
430 HG3 LYS 60 1HG LYS 60 0.181 -13.643 -6.069
431 HD2 LYS 60 2HD LYS 60 1.641 -13.892 -7.953
432 HD3 LYS 60 1HD LYS 60 2.936 -13.021 -7.136
433 HE2 LYS 60 2HE LYS 60 1.815 -15.681 -6.244
434 HE3 LYS 60 1HE LYS 60 3.287 -15.480 -7.193
435 HZ1 LYS 60 3HZ LYS 60 2.833 -14.342 -4.497
436 HZ2 LYS 60 1HZ LYS 60 4.287 -14.256 -5.312
437 HZ3 LYS 60 2HZ LYS 60 3.677 -15.722 -4.721
438 H CYS 61 H CYS 61 -1.680 -12.457 -5.049
439 HA CYS 61 HA CYS 61 -0.828 -12.438 -2.293
440 HB2 CYS 61 2HB CYS 61 -3.387 -12.223 -3.580
441 HB3 CYS 61 1HB CYS 61 -3.368 -13.040 -1.974
442 H GLU 62 H GLU 62 -1.000 -14.372 -1.261
443 HA GLU 62 HA GLU 62 -1.164 -16.711 -2.945
444 HB2 GLU 62 2HB GLU 62 0.802 -16.144 -0.699
445 HB3 GLU 62 1HB GLU 62 0.758 -17.602 -1.688
446 HG2 GLU 62 2HG GLU 62 1.384 -16.385 -3.646
447 HG3 GLU 62 1HG GLU 62 1.200 -14.851 -2.814
Start of MODEL 10
1 H PHE 1 1HT PHE 1 5.613 1.668 6.279
2 HA PHE 1 HA PHE 1 6.110 2.421 4.023
3 HB2 PHE 1 2HB PHE 1 4.085 1.350 2.881
4 HB3 PHE 1 1HB PHE 1 5.095 0.324 3.906
5 HD1 PHE 1 2HD PHE 1 4.158 -0.436 6.073
6 HD2 PHE 1 1HD PHE 1 1.827 1.789 3.300
7 HE1 PHE 1 2HE PHE 1 2.105 -1.178 7.206
8 HE2 PHE 1 1HE PHE 1 -0.220 1.046 4.408
9 HZ PHE 1 HZ PHE 1 -0.089 -0.440 6.373
10 H CYS 2 H CYS 2 3.192 3.849 5.214
11 HA CYS 2 HA CYS 2 3.806 5.963 3.322
12 HB2 CYS 2 2HB CYS 2 1.779 4.629 2.697
13 HB3 CYS 2 1HB CYS 2 1.042 5.170 4.204
14 H GLU 3 H GLU 3 3.331 5.017 6.505
15 HA GLU 3 HA GLU 3 2.049 7.203 7.768
16 HB2 GLU 3 2HB GLU 3 3.997 5.398 9.164
17 HB3 GLU 3 1HB GLU 3 2.552 6.145 9.805
18 HG2 GLU 3 2HG GLU 3 2.076 3.867 9.679
19 HG3 GLU 3 1HG GLU 3 1.273 4.595 8.270
20 H ARG 4 H ARG 4 5.387 6.366 7.462
21 HA ARG 4 HA ARG 4 5.945 8.862 8.697
22 HB2 ARG 4 2HB ARG 4 7.107 7.153 9.834
23 HB3 ARG 4 1HB ARG 4 7.664 6.425 8.349
24 HG2 ARG 4 2HG ARG 4 9.384 7.605 9.831
25 HG3 ARG 4 1HG ARG 4 9.412 7.966 8.112
26 HD2 ARG 4 2HD ARG 4 9.705 9.936 9.656
27 HD3 ARG 4 1HD ARG 4 8.442 10.093 8.448
28 HE ARG 4 HE ARG 4 7.871 9.373 11.241
29 HH11 ARG 4 1HH1 ARG 4 7.140 11.247 8.303
30 HH12 ARG 4 2HH1 ARG 4 6.018 12.281 9.046
31 HH21 ARG 4 1HH2 ARG 4 6.203 10.830 12.277
32 HH22 ARG 4 2HH2 ARG 4 5.462 12.017 11.301
33 H GLU 5 H GLU 5 6.443 7.051 5.856
34 HA GLU 5 HA GLU 5 8.179 8.586 4.447
35 HB2 GLU 5 2HB GLU 5 5.943 6.796 3.497
36 HB3 GLU 5 1HB GLU 5 7.347 7.284 2.557
37 HG2 GLU 5 2HG GLU 5 8.006 5.144 3.281
38 HG3 GLU 5 1HG GLU 5 8.686 6.236 4.498
39 H GLN 6 H GLN 6 4.531 8.701 4.358
40 HA GLN 6 HA GLN 6 4.797 11.276 2.901
41 HB2 GLN 6 2HB GLN 6 2.443 9.405 2.974
42 HB3 GLN 6 1HB GLN 6 2.578 10.878 2.042
43 HG2 GLN 6 2HG GLN 6 4.089 8.331 1.638
44 HG3 GLN 6 1HG GLN 6 2.704 8.970 0.717
45 HE21 GLN 6 1HE2 GLN 6 3.066 10.664 -0.745
46 HE22 GLN 6 2HE2 GLN 6 4.656 11.103 -1.267
47 H GLN 7 H GLN 7 4.290 9.966 5.833
48 HA GLN 7 HA GLN 7 2.924 9.924 7.340
49 HB2 GLN 7 2HB GLN 7 2.475 12.332 8.387
50 HB3 GLN 7 1HB GLN 7 4.044 11.541 8.423
51 HG2 GLN 7 2HG GLN 7 4.588 12.635 6.382
52 HG3 GLN 7 1HG GLN 7 3.115 13.605 6.468
53 HE21 GLN 7 1HE2 GLN 7 4.130 15.564 6.746
54 HE22 GLN 7 2HE2 GLN 7 4.998 16.013 8.177
55 H LEU 8 H LEU 8 1.587 9.141 5.675
56 HA LEU 8 HA LEU 8 -1.162 10.196 5.956
57 HB2 LEU 8 2HB LEU 8 0.154 8.500 3.855
58 HB3 LEU 8 1HB LEU 8 -1.581 8.654 4.061
59 HG LEU 8 HG LEU 8 0.098 11.025 3.720
60 HD11 LEU 8 1HD1 LEU 8 -0.455 10.859 1.205
61 HD12 LEU 8 2HD1 LEU 8 -1.050 9.223 1.522
62 HD13 LEU 8 3HD1 LEU 8 0.656 9.595 1.729
63 HD21 LEU 8 3HD2 LEU 8 -2.768 10.395 3.074
64 HD22 LEU 8 1HD2 LEU 8 -1.988 11.939 2.729
65 HD23 LEU 8 2HD2 LEU 8 -2.163 11.394 4.396
66 H GLU 9 H GLU 9 -2.590 8.780 6.275
67 HA GLU 9 HA GLU 9 -1.842 6.736 8.191
68 HB2 GLU 9 2HB GLU 9 -4.015 8.143 8.202
69 HB3 GLU 9 1HB GLU 9 -4.461 7.045 6.885
70 HG2 GLU 9 2HG GLU 9 -4.325 5.147 8.362
71 HG3 GLU 9 1HG GLU 9 -3.900 6.214 9.708
72 H SER 10 H SER 10 -2.063 4.528 7.802
73 HA SER 10 HA SER 10 -1.699 3.721 5.119
74 HB2 SER 10 2HB SER 10 -1.120 1.730 6.218
75 HB3 SER 10 1HB SER 10 -0.403 3.236 6.951
76 HG SER 10 HG SER 10 -2.777 2.396 8.057
77 H CYS 11 H CYS 11 -2.989 2.129 4.157
78 HA CYS 11 HA CYS 11 -5.149 0.913 5.497
79 HB2 CYS 11 2HB CYS 11 -6.235 3.221 4.946
80 HB3 CYS 11 1HB CYS 11 -5.986 2.811 3.254
81 H ALA 12 H ALA 12 -6.559 -0.106 3.455
82 HA ALA 12 HA ALA 12 -4.514 -1.210 1.669
83 HB1 ALA 12 1HB ALA 12 -5.688 -3.366 1.785
84 HB2 ALA 12 2HB ALA 12 -6.820 -2.683 2.953
85 HB3 ALA 12 3HB ALA 12 -5.118 -2.863 3.377
86 H CYS 13 H CYS 13 -5.134 -1.447 -0.431
87 HA CYS 13 HA CYS 13 -7.373 0.090 -1.459
88 HB2 CYS 13 2HB CYS 13 -5.436 -1.743 -2.793
89 HB3 CYS 13 1HB CYS 13 -6.559 -0.708 -3.559
90 H ASN 14 H ASN 14 -8.473 -1.756 0.101
91 HA ASN 14 HA ASN 14 -9.129 -4.089 0.360
92 HB2 ASN 14 2HB ASN 14 -10.866 -2.313 0.435
93 HB3 ASN 14 1HB ASN 14 -11.130 -2.676 -1.276
94 HD21 ASN 14 1HD2 ASN 14 -12.450 -4.394 -1.826
95 HD22 ASN 14 2HD2 ASN 14 -13.217 -5.409 -0.653
96 H GLU 15 H GLU 15 -8.680 -3.307 -2.927
97 HA GLU 15 HA GLU 15 -9.813 -5.479 -4.127
98 HB2 GLU 15 2HB GLU 15 -9.126 -3.324 -5.221
99 HB3 GLU 15 1HB GLU 15 -7.456 -3.789 -4.995
100 HG2 GLU 15 2HG GLU 15 -9.382 -5.308 -6.744
101 HG3 GLU 15 1HG GLU 15 -8.340 -4.014 -7.324
102 H THR 16 H THR 16 -8.464 -7.362 -5.015
103 HA THR 16 HA THR 16 -7.170 -8.720 -2.984
104 HB THR 16 HB THR 16 -7.148 -9.246 -5.948
105 HG1 THR 16 1HG THR 16 -9.117 -9.684 -5.630
106 HG21 THR 16 3HG2 THR 16 -6.625 -11.181 -3.655
107 HG22 THR 16 1HG2 THR 16 -5.389 -10.441 -4.688
108 HG23 THR 16 2HG2 THR 16 -6.584 -11.547 -5.380
109 H ASP 17 H ASP 17 -5.651 -7.510 -5.944
110 HA ASP 17 HA ASP 17 -3.268 -8.336 -4.676
111 HB2 ASP 17 2HB ASP 17 -3.853 -7.226 -7.314
112 HB3 ASP 17 1HB ASP 17 -2.176 -7.346 -6.769
113 H ASN 18 H ASN 18 -4.963 -5.351 -5.267
114 HA ASN 18 HA ASN 18 -2.695 -3.810 -4.672
115 HB2 ASN 18 2HB ASN 18 -5.590 -3.095 -5.042
116 HB3 ASN 18 1HB ASN 18 -4.405 -1.913 -4.492
117 HD21 ASN 18 1HD2 ASN 18 -5.286 -4.040 -7.144
118 HD22 ASN 18 2HD2 ASN 18 -4.379 -3.188 -8.340
119 H SER 19 H SER 19 -4.395 -5.742 -2.719
120 HA SER 19 HA SER 19 -4.090 -4.016 -0.430
121 HB2 SER 19 2HB SER 19 -4.592 -6.094 0.960
122 HB3 SER 19 1HB SER 19 -5.846 -5.694 -0.226
123 HG SER 19 HG SER 19 -4.646 -7.348 -1.564
124 H CYS 20 H CYS 20 -1.912 -5.370 -2.369
125 HA CYS 20 HA CYS 20 0.094 -5.947 -0.312
126 HB2 CYS 20 2HB CYS 20 -0.173 -6.724 -3.181
127 HB3 CYS 20 1HB CYS 20 1.267 -7.087 -2.256
128 H LYS 21 H LYS 21 -0.864 -3.300 -1.954
129 HA LYS 21 HA LYS 21 1.784 -2.270 -2.265
130 HB2 LYS 21 2HB LYS 21 0.811 -2.925 -4.450
131 HB3 LYS 21 1HB LYS 21 -0.732 -2.267 -3.961
132 HG2 LYS 21 2HG LYS 21 1.565 -0.576 -3.898
133 HG3 LYS 21 1HG LYS 21 0.940 -1.019 -5.524
134 HD2 LYS 21 2HD LYS 21 -1.269 -0.227 -4.775
135 HD3 LYS 21 1HD LYS 21 -0.559 0.216 -3.228
136 HE2 LYS 21 2HE LYS 21 0.221 1.376 -5.919
137 HE3 LYS 21 1HE LYS 21 -0.787 2.180 -4.715
138 HZ1 LYS 21 3HZ LYS 21 1.461 2.960 -4.602
139 HZ2 LYS 21 1HZ LYS 21 2.048 1.392 -4.361
140 HZ3 LYS 21 2HZ LYS 21 1.060 2.140 -3.184
141 H VAL 22 H VAL 22 2.062 -0.432 -1.885
142 HA VAL 22 HA VAL 22 1.024 0.284 0.570
143 HB VAL 22 HB VAL 22 2.632 1.944 -1.356
144 HG11 VAL 22 1HG1 VAL 22 3.255 3.194 0.663
145 HG12 VAL 22 2HG1 VAL 22 1.987 2.272 1.534
146 HG13 VAL 22 3HG1 VAL 22 1.551 3.301 0.179
147 HG21 VAL 22 3HG2 VAL 22 3.488 -0.327 -0.691
148 HG22 VAL 22 1HG2 VAL 22 3.482 0.187 0.977
149 HG23 VAL 22 2HG2 VAL 22 4.547 1.005 -0.163
150 H CYS 23 H CYS 23 -0.848 0.703 0.691
151 HA CYS 23 HA CYS 23 -2.035 2.929 -0.841
152 HB2 CYS 23 2HB CYS 23 -3.560 1.084 0.974
153 HB3 CYS 23 1HB CYS 23 -4.174 2.177 -0.272
154 H CYS 24 H CYS 24 -2.830 4.693 0.209
155 HA CYS 24 HA CYS 24 -2.151 4.937 3.045
156 HB2 CYS 24 2HB CYS 24 -2.287 7.093 0.920
157 HB3 CYS 24 1HB CYS 24 -1.680 7.272 2.558
158 H ARG 25 H ARG 25 -3.677 6.922 3.883
159 HA ARG 25 HA ARG 25 -6.273 6.501 2.639
160 HB2 ARG 25 2HB ARG 25 -5.729 5.326 4.884
161 HB3 ARG 25 1HB ARG 25 -5.787 6.950 5.543
162 HG2 ARG 25 2HG ARG 25 -8.074 6.045 3.937
163 HG3 ARG 25 1HG ARG 25 -7.899 5.364 5.566
164 HD2 ARG 25 2HD ARG 25 -8.033 8.310 4.818
165 HD3 ARG 25 1HD ARG 25 -9.373 7.366 5.474
166 HE ARG 25 HE ARG 25 -7.460 7.019 7.325
167 HH11 ARG 25 1HH1 ARG 25 -8.617 10.003 5.817
168 HH12 ARG 25 2HH1 ARG 25 -8.521 10.942 7.239
169 HH21 ARG 25 1HH2 ARG 25 -7.227 8.254 9.218
170 HH22 ARG 25 2HH2 ARG 25 -7.670 9.889 9.299
171 H ASP 26 H ASP 26 -7.285 8.382 2.141
172 HA ASP 26 HA ASP 26 -5.622 10.688 2.488
173 HB2 ASP 26 2HB ASP 26 -6.540 11.513 0.523
174 HB3 ASP 26 1HB ASP 26 -6.585 9.780 0.223
175 H LEU 27 H LEU 27 -7.140 12.552 2.258
176 HA LEU 27 HA LEU 27 -8.028 13.020 4.802
177 HB2 LEU 27 2HB LEU 27 -8.980 15.153 3.698
178 HB3 LEU 27 1HB LEU 27 -7.250 15.010 4.084
179 HG LEU 27 HG LEU 27 -7.140 14.274 1.549
180 HD11 LEU 27 1HD1 LEU 27 -9.758 15.755 1.541
181 HD12 LEU 27 2HD1 LEU 27 -9.520 14.050 1.161
182 HD13 LEU 27 3HD1 LEU 27 -8.825 15.290 0.119
183 HD21 LEU 27 3HD2 LEU 27 -6.909 16.600 0.840
184 HD22 LEU 27 1HD2 LEU 27 -6.140 16.309 2.400
185 HD23 LEU 27 2HD2 LEU 27 -7.701 17.129 2.325
186 H SER 28 H SER 28 -9.839 12.403 1.965
187 HA SER 28 HA SER 28 -12.279 13.069 3.242
188 HB2 SER 28 2HB SER 28 -12.021 13.700 0.913
189 HB3 SER 28 1HB SER 28 -11.717 12.025 0.466
190 HG SER 28 HG SER 28 -13.972 11.912 1.655
191 H GLY 29 H GLY 29 -10.246 10.566 3.333
192 HA2 GLY 29 2HA GLY 29 -10.421 8.865 4.531
193 HA3 GLY 29 1HA GLY 29 -12.187 8.977 4.626
194 H ARG 30 H ARG 30 -10.093 8.623 1.727
195 HA ARG 30 HA ARG 30 -11.324 5.999 1.339
196 HB2 ARG 30 2HB ARG 30 -10.099 7.872 -0.711
197 HB3 ARG 30 1HB ARG 30 -10.567 6.221 -1.052
198 HG2 ARG 30 2HG ARG 30 -12.259 7.613 -1.929
199 HG3 ARG 30 1HG ARG 30 -12.928 6.895 -0.468
200 HD2 ARG 30 2HD ARG 30 -13.454 9.304 -0.712
201 HD3 ARG 30 1HD ARG 30 -12.551 8.937 0.756
202 HE ARG 30 HE ARG 30 -10.626 9.876 -0.180
203 HH11 ARG 30 1HH1 ARG 30 -13.422 10.324 -2.303
204 HH12 ARG 30 2HH1 ARG 30 -12.818 11.723 -3.069
205 HH21 ARG 30 1HH2 ARG 30 -9.837 11.782 -1.114
206 HH22 ARG 30 2HH2 ARG 30 -10.638 12.602 -2.385
207 H CYS 31 H CYS 31 -9.971 4.316 0.729
208 HA CYS 31 HA CYS 31 -7.226 4.644 1.574
209 HB2 CYS 31 2HB CYS 31 -8.731 2.168 0.696
210 HB3 CYS 31 1HB CYS 31 -7.169 2.206 1.515
211 H VAL 32 H VAL 32 -5.740 5.092 0.102
212 HA VAL 32 HA VAL 32 -6.493 4.674 -2.571
213 HB VAL 32 HB VAL 32 -5.120 6.855 -3.059
214 HG11 VAL 32 1HG1 VAL 32 -7.882 6.866 -1.844
215 HG12 VAL 32 2HG1 VAL 32 -7.439 6.492 -3.517
216 HG13 VAL 32 3HG1 VAL 32 -7.200 8.131 -2.889
217 HG21 VAL 32 3HG2 VAL 32 -6.010 7.291 -0.199
218 HG22 VAL 32 1HG2 VAL 32 -5.300 8.522 -1.235
219 HG23 VAL 32 2HG2 VAL 32 -4.343 7.115 -0.715
220 HA PRO 33 HA PRO 33 -2.560 2.688 -3.048
221 HB2 PRO 33 2HB PRO 33 -2.330 3.080 -5.778
222 HB3 PRO 33 1HB PRO 33 -3.350 1.814 -5.062
223 HG2 PRO 33 2HG PRO 33 -4.131 4.474 -6.123
224 HG3 PRO 33 1HG PRO 33 -4.958 2.908 -6.267
225 HD2 PRO 33 2HD PRO 33 -5.784 4.770 -4.500
226 HD3 PRO 33 1HD PRO 33 -5.867 3.029 -4.162
227 H TYR 34 H TYR 34 -0.554 3.726 -2.431
228 HA TYR 34 HA TYR 34 -0.383 6.438 -3.093
229 HB2 TYR 34 2HB TYR 34 0.549 6.236 -1.158
230 HB3 TYR 34 1HB TYR 34 1.257 4.627 -1.440
231 HD1 TYR 34 1HD TYR 34 1.674 8.246 -2.629
232 HD2 TYR 34 2HD TYR 34 3.594 4.590 -1.517
233 HE1 TYR 34 1HE TYR 34 3.771 9.239 -2.999
234 HE2 TYR 34 2HE TYR 34 5.774 5.675 -1.898
235 HH TYR 34 HH TYR 34 5.977 9.074 -2.570
236 H VAL 35 H VAL 35 0.201 7.391 -4.682
237 HA VAL 35 HA VAL 35 2.735 6.945 -5.820
238 HB VAL 35 HB VAL 35 0.934 8.147 -7.599
239 HG11 VAL 35 1HG1 VAL 35 3.074 7.566 -8.112
240 HG12 VAL 35 2HG1 VAL 35 1.985 6.831 -9.295
241 HG13 VAL 35 3HG1 VAL 35 2.746 5.832 -8.034
242 HG21 VAL 35 3HG2 VAL 35 0.289 5.216 -7.232
243 HG22 VAL 35 1HG2 VAL 35 -0.394 6.264 -8.486
244 HG23 VAL 35 2HG2 VAL 35 -0.739 6.558 -6.758
245 H ASP 36 H ASP 36 3.517 9.043 -5.761
246 HA ASP 36 HA ASP 36 1.575 11.240 -5.397
247 HB2 ASP 36 2HB ASP 36 3.432 12.395 -4.344
248 HB3 ASP 36 1HB ASP 36 3.017 10.874 -3.538
249 H ALA 37 H ALA 37 3.259 13.076 -5.933
250 HA ALA 37 HA ALA 37 1.746 13.068 -8.198
251 HB1 ALA 37 1HB ALA 37 2.102 15.462 -8.145
252 HB2 ALA 37 2HB ALA 37 3.449 15.136 -6.996
253 HB3 ALA 37 3HB ALA 37 1.793 14.637 -6.576
254 H GLU 38 H GLU 38 5.030 12.632 -7.386
255 HA GLU 38 HA GLU 38 6.091 13.149 -9.840
256 HB2 GLU 38 2HB GLU 38 6.943 11.817 -7.411
257 HB3 GLU 38 1HB GLU 38 8.123 12.188 -8.706
258 HG2 GLU 38 2HG GLU 38 8.445 14.138 -7.535
259 HG3 GLU 38 1HG GLU 38 6.803 14.557 -8.057
260 H GLN 39 H GLN 39 4.003 10.639 -8.704
261 HA GLN 39 HA GLN 39 3.411 8.836 -9.318
262 HB2 GLN 39 2HB GLN 39 5.323 9.515 -11.321
263 HB3 GLN 39 1HB GLN 39 4.507 7.919 -11.495
264 HG2 GLN 39 2HG GLN 39 2.370 9.173 -11.514
265 HG3 GLN 39 1HG GLN 39 3.277 10.672 -11.317
266 HE21 GLN 39 1HE2 GLN 39 5.373 9.838 -13.145
267 HE22 GLN 39 2HE2 GLN 39 4.701 9.936 -14.742
268 H LYS 40 H LYS 40 5.593 9.130 -7.331
269 HA LYS 40 HA LYS 40 7.212 6.822 -7.755
270 HB2 LYS 40 2HB LYS 40 6.715 8.449 -5.329
271 HB3 LYS 40 1HB LYS 40 7.990 7.201 -5.547
272 HG2 LYS 40 2HG LYS 40 8.789 8.620 -7.429
273 HG3 LYS 40 1HG LYS 40 7.636 9.848 -6.854
274 HD2 LYS 40 2HD LYS 40 10.020 8.753 -5.301
275 HD3 LYS 40 1HD LYS 40 9.922 10.358 -6.013
276 HE2 LYS 40 2HE LYS 40 8.185 9.282 -3.784
277 HE3 LYS 40 1HE LYS 40 9.514 10.421 -3.606
278 HZ1 LYS 40 3HZ LYS 40 8.165 12.116 -4.831
279 HZ2 LYS 40 1HZ LYS 40 7.257 11.402 -3.630
280 HZ3 LYS 40 2HZ LYS 40 7.010 10.923 -5.133
281 H ASN 41 H ASN 41 6.895 4.970 -6.889
282 HA ASN 41 HA ASN 41 4.265 4.525 -5.679
283 HB2 ASN 41 2HB ASN 41 4.842 4.021 -8.161
284 HB3 ASN 41 1HB ASN 41 5.673 2.658 -7.438
285 HD21 ASN 41 1HD2 ASN 41 3.319 2.722 -9.209
286 HD22 ASN 41 2HD2 ASN 41 2.088 1.809 -8.423
287 H LEU 42 H LEU 42 4.351 2.123 -4.872
288 HA LEU 42 HA LEU 42 6.873 1.161 -3.820
289 HB2 LEU 42 2HB LEU 42 4.719 2.145 -2.004
290 HB3 LEU 42 1HB LEU 42 6.037 1.109 -1.510
291 HG LEU 42 HG LEU 42 6.319 3.931 -2.487
292 HD11 LEU 42 1HD1 LEU 42 6.505 2.800 0.317
293 HD12 LEU 42 2HD1 LEU 42 5.050 3.489 -0.356
294 HD13 LEU 42 3HD1 LEU 42 6.486 4.519 -0.151
295 HD21 LEU 42 3HD2 LEU 42 8.586 3.734 -1.545
296 HD22 LEU 42 1HD2 LEU 42 8.329 2.559 -2.835
297 HD23 LEU 42 2HD2 LEU 42 8.272 2.044 -1.149
298 H PHE 43 H PHE 43 6.689 -0.890 -2.932
299 HA PHE 43 HA PHE 43 4.259 -2.271 -3.242
300 HB2 PHE 43 2HB PHE 43 5.777 -3.226 -4.743
301 HB3 PHE 43 1HB PHE 43 7.135 -2.817 -3.713
302 HD1 PHE 43 2HD PHE 43 4.100 -5.005 -3.276
303 HD2 PHE 43 1HD PHE 43 8.344 -4.680 -3.176
304 HE1 PHE 43 2HE PHE 43 4.275 -7.354 -2.524
305 HE2 PHE 43 1HE PHE 43 8.513 -7.016 -2.434
306 HZ PHE 43 HZ PHE 43 6.476 -8.352 -2.110
307 H LEU 44 H LEU 44 3.683 -3.619 -1.295
308 HA LEU 44 HA LEU 44 4.600 -2.630 1.030
309 HB2 LEU 44 2HB LEU 44 2.431 -4.135 0.181
310 HB3 LEU 44 1HB LEU 44 3.264 -5.221 1.262
311 HG LEU 44 HG LEU 44 1.504 -4.100 2.452
312 HD11 LEU 44 1HD1 LEU 44 4.156 -2.985 3.306
313 HD12 LEU 44 2HD1 LEU 44 3.471 -4.546 3.758
314 HD13 LEU 44 3HD1 LEU 44 2.697 -3.054 4.293
315 HD21 LEU 44 3HD2 LEU 44 1.263 -2.138 1.052
316 HD22 LEU 44 1HD2 LEU 44 2.804 -1.523 1.642
317 HD23 LEU 44 2HD2 LEU 44 1.439 -1.679 2.747
318 H ARG 45 H ARG 45 5.246 -4.603 2.768
319 HA ARG 45 HA ARG 45 7.579 -5.830 1.770
320 HB2 ARG 45 2HB ARG 45 6.142 -5.684 4.303
321 HB3 ARG 45 1HB ARG 45 7.541 -6.795 4.182
322 HG2 ARG 45 2HG ARG 45 8.890 -4.767 3.546
323 HG3 ARG 45 1HG ARG 45 7.463 -3.778 3.861
324 HD2 ARG 45 2HD ARG 45 7.452 -4.531 6.186
325 HD3 ARG 45 1HD ARG 45 8.861 -5.544 5.873
326 HE ARG 45 HE ARG 45 9.463 -2.936 5.122
327 HH11 ARG 45 1HH1 ARG 45 8.862 -4.765 8.102
328 HH12 ARG 45 2HH1 ARG 45 9.802 -3.776 9.109
329 HH21 ARG 45 1HH2 ARG 45 10.798 -1.523 6.521
330 HH22 ARG 45 2HH2 ARG 45 10.935 -1.861 8.173
331 H LYS 46 H LYS 46 7.924 -8.236 2.273
332 HA LYS 46 HA LYS 46 5.770 -9.699 1.060
333 HB2 LYS 46 2HB LYS 46 8.504 -10.533 1.941
334 HB3 LYS 46 1HB LYS 46 7.299 -11.686 1.402
335 HG2 LYS 46 2HG LYS 46 7.182 -10.260 -0.721
336 HG3 LYS 46 1HG LYS 46 8.715 -9.572 -0.160
337 HD2 LYS 46 2HD LYS 46 9.741 -11.713 -0.089
338 HD3 LYS 46 1HD LYS 46 8.203 -12.523 -0.370
339 HE2 LYS 46 2HE LYS 46 8.185 -11.185 -2.575
340 HE3 LYS 46 1HE LYS 46 9.917 -11.003 -2.276
341 HZ1 LYS 46 3HZ LYS 46 9.405 -12.964 -3.621
342 HZ2 LYS 46 1HZ LYS 46 8.410 -13.532 -2.392
343 HZ3 LYS 46 2HZ LYS 46 10.069 -13.452 -2.117
344 H GLY 47 H GLY 47 4.801 -11.540 1.846
345 HA2 GLY 47 2HA GLY 47 3.819 -12.891 3.410
346 HA3 GLY 47 1HA GLY 47 5.044 -12.382 4.589
347 H LYS 48 H LYS 48 3.383 -10.041 2.881
348 HA LYS 48 HA LYS 48 2.160 -9.001 5.261
349 HB2 LYS 48 2HB LYS 48 2.969 -7.320 3.926
350 HB3 LYS 48 1HB LYS 48 2.547 -8.131 2.447
351 HG2 LYS 48 2HG LYS 48 1.295 -6.082 2.676
352 HG3 LYS 48 1HG LYS 48 0.201 -7.447 2.776
353 HD2 LYS 48 2HD LYS 48 0.087 -7.212 5.186
354 HD3 LYS 48 1HD LYS 48 1.261 -5.891 5.134
355 HE2 LYS 48 2HE LYS 48 -1.101 -5.115 5.303
356 HE3 LYS 48 1HE LYS 48 -0.261 -4.507 3.879
357 HZ1 LYS 48 3HZ LYS 48 -2.548 -5.308 3.432
358 HZ2 LYS 48 1HZ LYS 48 -2.078 -6.863 3.876
359 HZ3 LYS 48 2HZ LYS 48 -1.411 -6.102 2.506
360 HA PRO 49 HA PRO 49 -1.583 -11.467 4.715
361 HB2 PRO 49 2HB PRO 49 -2.547 -9.516 6.754
362 HB3 PRO 49 1HB PRO 49 -2.603 -11.292 6.794
363 HG2 PRO 49 2HG PRO 49 -0.895 -10.002 8.315
364 HG3 PRO 49 1HG PRO 49 -0.427 -11.503 7.492
365 HD2 PRO 49 2HD PRO 49 0.284 -8.693 6.800
366 HD3 PRO 49 1HD PRO 49 1.263 -10.173 6.709
367 H CYS 50 H CYS 50 -2.833 -11.035 3.023
368 HA CYS 50 HA CYS 50 -3.889 -8.390 2.751
369 HB2 CYS 50 2HB CYS 50 -3.678 -8.838 0.267
370 HB3 CYS 50 1HB CYS 50 -2.202 -8.580 1.180
371 H THR 51 H THR 51 -5.391 -9.304 0.387
372 HA THR 51 HA THR 51 -7.812 -9.908 1.582
373 HB THR 51 HB THR 51 -8.363 -10.410 -0.897
374 HG1 THR 51 1HG THR 51 -6.075 -9.067 -1.629
375 HG21 THR 51 3HG2 THR 51 -8.291 -8.049 -1.407
376 HG22 THR 51 1HG2 THR 51 -7.064 -7.826 -0.157
377 HG23 THR 51 2HG2 THR 51 -8.724 -8.257 0.307
378 H VAL 52 H VAL 52 -6.107 -11.791 -0.741
379 HA VAL 52 HA VAL 52 -7.605 -14.122 0.030
380 HB VAL 52 HB VAL 52 -6.806 -15.225 -1.971
381 HG11 VAL 52 1HG1 VAL 52 -7.729 -12.390 -2.420
382 HG12 VAL 52 2HG1 VAL 52 -8.752 -13.804 -2.159
383 HG13 VAL 52 3HG1 VAL 52 -7.791 -13.666 -3.635
384 HG21 VAL 52 3HG2 VAL 52 -5.182 -12.721 -2.540
385 HG22 VAL 52 1HG2 VAL 52 -5.369 -14.102 -3.607
386 HG23 VAL 52 2HG2 VAL 52 -4.508 -14.278 -2.079
387 H GLY 53 H GLY 53 -4.289 -13.164 0.285
388 HA2 GLY 53 2HA GLY 53 -3.862 -15.270 2.162
389 HA3 GLY 53 1HA GLY 53 -3.000 -15.447 0.628
390 H PHE 54 H PHE 54 -1.044 -14.647 0.543
391 HA PHE 54 HA PHE 54 -0.380 -12.386 2.302
392 HB2 PHE 54 2HB PHE 54 1.333 -14.780 1.694
393 HB3 PHE 54 1HB PHE 54 1.931 -13.328 2.509
394 HD1 PHE 54 1HD PHE 54 0.865 -12.704 4.723
395 HD2 PHE 54 2HD PHE 54 0.304 -16.499 2.885
396 HE1 PHE 54 1HE PHE 54 0.166 -13.643 6.885
397 HE2 PHE 54 2HE PHE 54 -0.399 -17.445 5.044
398 HZ PHE 54 HZ PHE 54 -0.469 -16.015 7.048
399 H CYS 55 H CYS 55 1.239 -11.052 1.558
400 HA CYS 55 HA CYS 55 1.172 -10.721 -1.320
401 HB2 CYS 55 2HB CYS 55 2.453 -9.050 0.802
402 HB3 CYS 55 1HB CYS 55 2.255 -8.600 -0.884
403 H ASP 56 H ASP 56 2.678 -11.380 -2.595
404 HA ASP 56 HA ASP 56 5.308 -11.540 -1.406
405 HB2 ASP 56 2HB ASP 56 4.354 -13.845 -1.796
406 HB3 ASP 56 1HB ASP 56 4.391 -13.539 -3.528
407 H MET 57 H MET 57 6.399 -12.425 -4.227
408 HA MET 57 HA MET 57 8.058 -10.530 -4.880
409 HB2 MET 57 2HB MET 57 6.545 -12.210 -6.796
410 HB3 MET 57 1HB MET 57 7.901 -11.218 -7.306
411 HG2 MET 57 2HG MET 57 7.929 -13.522 -5.363
412 HG3 MET 57 1HG MET 57 8.529 -13.543 -7.016
413 HE1 MET 57 3HE MET 57 10.360 -14.688 -4.867
414 HE2 MET 57 1HE MET 57 11.891 -13.872 -5.186
415 HE3 MET 57 2HE MET 57 10.885 -14.417 -6.529
416 H ASN 58 H ASN 58 4.861 -10.394 -6.515
417 HA ASN 58 HA ASN 58 5.860 -7.912 -7.798
418 HB2 ASN 58 2HB ASN 58 5.142 -9.991 -9.157
419 HB3 ASN 58 1HB ASN 58 3.499 -9.539 -8.737
420 HD21 ASN 58 1HD2 ASN 58 2.614 -7.643 -9.698
421 HD22 ASN 58 2HD2 ASN 58 3.354 -6.913 -11.083
422 H GLY 59 H GLY 59 4.428 -8.256 -5.104
423 HA2 GLY 59 2HA GLY 59 2.816 -6.959 -3.922
424 HA3 GLY 59 1HA GLY 59 2.634 -6.005 -5.405
425 H LYS 60 H LYS 60 2.411 -9.382 -5.220
426 HA LYS 60 HA LYS 60 -0.488 -9.223 -5.649
427 HB2 LYS 60 2HB LYS 60 1.554 -11.165 -6.636
428 HB3 LYS 60 1HB LYS 60 -0.122 -11.625 -6.425
429 HG2 LYS 60 2HG LYS 60 -0.650 -9.643 -7.910
430 HG3 LYS 60 1HG LYS 60 1.066 -9.684 -8.367
431 HD2 LYS 60 2HD LYS 60 0.055 -11.065 -9.981
432 HD3 LYS 60 1HD LYS 60 0.649 -12.210 -8.783
433 HE2 LYS 60 2HE LYS 60 -2.218 -11.263 -9.159
434 HE3 LYS 60 1HE LYS 60 -1.592 -12.872 -9.463
435 HZ1 LYS 60 3HZ LYS 60 -2.054 -11.546 -6.844
436 HZ2 LYS 60 1HZ LYS 60 -1.176 -13.000 -6.956
437 HZ3 LYS 60 2HZ LYS 60 -2.789 -12.931 -7.406
438 H CYS 61 H CYS 61 -1.700 -10.603 -4.839
439 HA CYS 61 HA CYS 61 -0.831 -11.454 -2.209
440 HB2 CYS 61 2HB CYS 61 -2.629 -9.791 -2.585
441 HB3 CYS 61 1HB CYS 61 -3.496 -11.084 -3.420
442 H GLU 62 H GLU 62 -0.693 -13.489 -1.990
443 HA GLU 62 HA GLU 62 -1.919 -15.324 -3.861
444 HB2 GLU 62 2HB GLU 62 0.754 -15.730 -2.479
445 HB3 GLU 62 1HB GLU 62 0.043 -16.760 -3.700
446 HG2 GLU 62 2HG GLU 62 1.104 -13.959 -4.141
447 HG3 GLU 62 1HG GLU 62 1.932 -15.448 -4.561
Start of MODEL 11
1 H PHE 1 1HT PHE 1 5.374 4.690 5.910
2 HA PHE 1 HA PHE 1 6.149 4.491 3.095
3 HB2 PHE 1 2HB PHE 1 4.484 2.581 2.966
4 HB3 PHE 1 1HB PHE 1 6.007 2.208 3.756
5 HD1 PHE 1 1HD PHE 1 6.021 1.984 6.259
6 HD2 PHE 1 2HD PHE 1 2.426 2.330 4.014
7 HE1 PHE 1 1HE PHE 1 4.756 1.057 8.154
8 HE2 PHE 1 2HE PHE 1 1.158 1.414 5.906
9 HZ PHE 1 HZ PHE 1 2.318 0.777 7.979
10 H CYS 2 H CYS 2 3.407 4.985 5.300
11 HA CYS 2 HA CYS 2 2.506 6.823 3.245
12 HB2 CYS 2 2HB CYS 2 1.025 5.561 5.545
13 HB3 CYS 2 1HB CYS 2 0.350 6.859 4.567
14 H GLU 3 H GLU 3 3.184 6.482 6.624
15 HA GLU 3 HA GLU 3 2.552 9.048 7.515
16 HB2 GLU 3 2HB GLU 3 4.560 8.105 9.239
17 HB3 GLU 3 1HB GLU 3 2.832 8.037 9.478
18 HG2 GLU 3 2HG GLU 3 4.047 5.874 9.842
19 HG3 GLU 3 1HG GLU 3 2.726 5.785 8.688
20 H ARG 4 H ARG 4 5.848 7.742 7.210
21 HA ARG 4 HA ARG 4 7.242 10.000 7.762
22 HB2 ARG 4 2HB ARG 4 8.264 7.841 7.612
23 HB3 ARG 4 1HB ARG 4 7.938 7.758 5.891
24 HG2 ARG 4 2HG ARG 4 9.454 9.744 5.617
25 HG3 ARG 4 1HG ARG 4 9.910 9.527 7.309
26 HD2 ARG 4 2HD ARG 4 11.510 8.417 5.846
27 HD3 ARG 4 1HD ARG 4 10.626 7.232 6.809
28 HE ARG 4 HE ARG 4 9.172 7.353 4.535
29 HH11 ARG 4 1HH1 ARG 4 12.612 6.777 5.087
30 HH12 ARG 4 2HH1 ARG 4 12.834 5.835 3.681
31 HH21 ARG 4 1HH2 ARG 4 9.416 6.114 2.688
32 HH22 ARG 4 2HH2 ARG 4 10.907 5.429 2.209
33 H GLU 5 H GLU 5 6.537 8.849 4.448
34 HA GLU 5 HA GLU 5 7.668 11.077 3.252
35 HB2 GLU 5 2HB GLU 5 6.646 9.914 1.194
36 HB3 GLU 5 1HB GLU 5 8.048 9.264 2.114
37 HG2 GLU 5 2HG GLU 5 5.254 8.256 2.545
38 HG3 GLU 5 1HG GLU 5 6.255 7.614 1.248
39 H GLN 6 H GLN 6 4.222 10.040 3.252
40 HA GLN 6 HA GLN 6 3.760 12.715 2.168
41 HB2 GLN 6 2HB GLN 6 1.633 11.614 1.112
42 HB3 GLN 6 1HB GLN 6 3.191 11.560 0.266
43 HG2 GLN 6 2HG GLN 6 3.426 9.242 1.119
44 HG3 GLN 6 1HG GLN 6 1.820 9.377 1.853
45 HE21 GLN 6 1HE2 GLN 6 2.776 10.770 -1.230
46 HE22 GLN 6 2HE2 GLN 6 1.786 9.751 -2.204
47 H GLN 7 H GLN 7 3.580 11.166 4.664
48 HA GLN 7 HA GLN 7 2.771 11.276 6.470
49 HB2 GLN 7 2HB GLN 7 1.891 14.021 5.642
50 HB3 GLN 7 1HB GLN 7 1.795 13.478 7.313
51 HG2 GLN 7 2HG GLN 7 4.172 13.078 7.368
52 HG3 GLN 7 1HG GLN 7 4.307 13.481 5.662
53 HE21 GLN 7 1HE2 GLN 7 5.766 15.062 6.068
54 HE22 GLN 7 2HE2 GLN 7 5.342 16.585 6.791
55 H LEU 8 H LEU 8 1.000 9.969 4.711
56 HA LEU 8 HA LEU 8 -1.639 10.571 5.778
57 HB2 LEU 8 2HB LEU 8 -0.803 8.466 3.791
58 HB3 LEU 8 1HB LEU 8 -2.400 8.568 4.468
59 HG LEU 8 HG LEU 8 -2.751 9.460 2.490
60 HD11 LEU 8 1HD1 LEU 8 -2.937 11.852 2.523
61 HD12 LEU 8 2HD1 LEU 8 -1.955 11.879 4.001
62 HD13 LEU 8 3HD1 LEU 8 -3.501 11.015 3.974
63 HD21 LEU 8 3HD2 LEU 8 0.035 10.621 2.424
64 HD22 LEU 8 1HD2 LEU 8 -1.204 10.779 1.155
65 HD23 LEU 8 2HD2 LEU 8 -0.650 9.178 1.652
66 H GLU 9 H GLU 9 -2.798 8.843 6.510
67 HA GLU 9 HA GLU 9 -1.443 7.068 8.365
68 HB2 GLU 9 2HB GLU 9 -3.756 8.202 8.664
69 HB3 GLU 9 1HB GLU 9 -4.245 7.065 7.405
70 HG2 GLU 9 2HG GLU 9 -3.740 5.203 8.861
71 HG3 GLU 9 1HG GLU 9 -3.340 6.341 10.159
72 H SER 10 H SER 10 -1.601 4.711 7.948
73 HA SER 10 HA SER 10 -1.478 4.048 5.206
74 HB2 SER 10 2HB SER 10 -0.768 1.982 6.169
75 HB3 SER 10 1HB SER 10 -0.007 3.482 6.868
76 HG SER 10 HG SER 10 -2.245 2.546 8.180
77 H CYS 11 H CYS 11 -2.839 2.290 4.354
78 HA CYS 11 HA CYS 11 -5.171 1.582 5.921
79 HB2 CYS 11 2HB CYS 11 -6.833 2.698 4.652
80 HB3 CYS 11 1HB CYS 11 -5.517 3.801 4.395
81 H ALA 12 H ALA 12 -6.593 0.014 4.390
82 HA ALA 12 HA ALA 12 -4.714 -1.563 2.808
83 HB1 ALA 12 1HB ALA 12 -6.801 -2.595 4.730
84 HB2 ALA 12 2HB ALA 12 -5.056 -2.642 4.982
85 HB3 ALA 12 3HB ALA 12 -5.786 -3.595 3.689
86 H CYS 13 H CYS 13 -5.406 -1.528 0.778
87 HA CYS 13 HA CYS 13 -8.022 -0.782 -0.019
88 HB2 CYS 13 2HB CYS 13 -5.765 -2.090 -1.530
89 HB3 CYS 13 1HB CYS 13 -7.197 -1.357 -2.246
90 H ASN 14 H ASN 14 -9.632 -1.908 -0.922
91 HA ASN 14 HA ASN 14 -10.265 -4.375 0.332
92 HB2 ASN 14 2HB ASN 14 -11.727 -3.196 -2.029
93 HB3 ASN 14 1HB ASN 14 -12.386 -4.139 -0.703
94 HD21 ASN 14 1HD2 ASN 14 -11.302 -1.044 -1.778
95 HD22 ASN 14 2HD2 ASN 14 -11.990 -0.123 -0.472
96 H GLU 15 H GLU 15 -9.245 -3.188 -2.702
97 HA GLU 15 HA GLU 15 -9.783 -5.276 -4.320
98 HB2 GLU 15 2HB GLU 15 -7.481 -3.384 -4.645
99 HB3 GLU 15 1HB GLU 15 -8.317 -4.237 -5.932
100 HG2 GLU 15 2HG GLU 15 -9.065 -2.043 -6.097
101 HG3 GLU 15 1HG GLU 15 -10.369 -2.842 -5.210
102 H THR 16 H THR 16 -8.760 -7.262 -4.446
103 HA THR 16 HA THR 16 -6.823 -8.249 -2.818
104 HB THR 16 HB THR 16 -7.446 -8.998 -5.657
105 HG1 THR 16 1HG THR 16 -8.373 -9.885 -3.136
106 HG21 THR 16 3HG2 THR 16 -5.939 -10.614 -3.564
107 HG22 THR 16 1HG2 THR 16 -5.249 -9.808 -4.986
108 HG23 THR 16 2HG2 THR 16 -6.384 -11.160 -5.185
109 H ASP 17 H ASP 17 -6.348 -6.824 -5.977
110 HA ASP 17 HA ASP 17 -3.695 -7.453 -6.123
111 HB2 ASP 17 2HB ASP 17 -4.949 -6.852 -8.095
112 HB3 ASP 17 1HB ASP 17 -5.226 -5.245 -7.392
113 H ASN 18 H ASN 18 -5.415 -4.489 -5.158
114 HA ASN 18 HA ASN 18 -3.076 -2.964 -4.759
115 HB2 ASN 18 2HB ASN 18 -5.917 -2.377 -3.970
116 HB3 ASN 18 1HB ASN 18 -4.595 -1.322 -3.540
117 HD21 ASN 18 1HD2 ASN 18 -6.896 -0.745 -5.171
118 HD22 ASN 18 2HD2 ASN 18 -6.277 -0.292 -6.722
119 H SER 19 H SER 19 -4.707 -5.118 -2.876
120 HA SER 19 HA SER 19 -3.752 -4.048 -0.390
121 HB2 SER 19 2HB SER 19 -4.478 -6.163 0.694
122 HB3 SER 19 1HB SER 19 -5.737 -5.432 -0.295
123 HG SER 19 HG SER 19 -4.448 -7.099 -1.887
124 H CYS 20 H CYS 20 -2.081 -5.438 -2.834
125 HA CYS 20 HA CYS 20 -0.030 -6.486 -1.023
126 HB2 CYS 20 2HB CYS 20 -0.878 -7.711 -3.241
127 HB3 CYS 20 1HB CYS 20 0.217 -6.552 -4.005
128 H LYS 21 H LYS 21 -0.995 -3.601 -2.058
129 HA LYS 21 HA LYS 21 1.699 -2.388 -2.095
130 HB2 LYS 21 2HB LYS 21 -0.826 -1.652 -3.507
131 HB3 LYS 21 1HB LYS 21 0.574 -0.590 -3.366
132 HG2 LYS 21 2HG LYS 21 0.780 -1.337 -5.555
133 HG3 LYS 21 1HG LYS 21 1.729 -2.543 -4.687
134 HD2 LYS 21 2HD LYS 21 -0.093 -4.123 -4.780
135 HD3 LYS 21 1HD LYS 21 -1.154 -2.904 -5.494
136 HE2 LYS 21 2HE LYS 21 0.348 -2.762 -7.449
137 HE3 LYS 21 1HE LYS 21 1.356 -4.022 -6.750
138 HZ1 LYS 21 3HZ LYS 21 -1.500 -4.356 -7.587
139 HZ2 LYS 21 1HZ LYS 21 -0.555 -5.571 -6.955
140 HZ3 LYS 21 2HZ LYS 21 -0.220 -4.910 -8.440
141 H VAL 22 H VAL 22 1.857 -0.547 -1.507
142 HA VAL 22 HA VAL 22 0.793 -0.409 1.090
143 HB VAL 22 HB VAL 22 2.654 1.346 -0.489
144 HG11 VAL 22 1HG1 VAL 22 3.118 2.444 1.647
145 HG12 VAL 22 2HG1 VAL 22 1.832 1.468 2.409
146 HG13 VAL 22 3HG1 VAL 22 1.443 2.596 1.108
147 HG21 VAL 22 3HG2 VAL 22 3.385 -0.996 0.025
148 HG22 VAL 22 1HG2 VAL 22 3.127 -0.657 1.725
149 HG23 VAL 22 2HG2 VAL 22 4.384 0.231 0.867
150 H CYS 23 H CYS 23 -1.070 0.171 1.118
151 HA CYS 23 HA CYS 23 -2.034 2.457 -0.465
152 HB2 CYS 23 2HB CYS 23 -3.697 0.811 1.434
153 HB3 CYS 23 1HB CYS 23 -4.204 2.039 0.263
154 H CYS 24 H CYS 24 -2.813 4.369 0.364
155 HA CYS 24 HA CYS 24 -2.082 4.906 3.106
156 HB2 CYS 24 2HB CYS 24 -1.763 6.592 0.613
157 HB3 CYS 24 1HB CYS 24 -1.626 7.304 2.204
158 H ARG 25 H ARG 25 -3.381 6.954 3.786
159 HA ARG 25 HA ARG 25 -6.080 6.146 3.058
160 HB2 ARG 25 2HB ARG 25 -5.213 5.397 5.325
161 HB3 ARG 25 1HB ARG 25 -5.056 7.089 5.686
162 HG2 ARG 25 2HG ARG 25 -7.710 6.307 4.804
163 HG3 ARG 25 1HG ARG 25 -7.172 5.585 6.316
164 HD2 ARG 25 2HD ARG 25 -6.637 7.799 7.237
165 HD3 ARG 25 1HD ARG 25 -7.005 8.528 5.673
166 HE ARG 25 HE ARG 25 -9.237 8.249 6.046
167 HH11 ARG 25 1HH1 ARG 25 -7.448 6.919 8.834
168 HH12 ARG 25 2HH1 ARG 25 -8.541 7.320 10.000
169 HH21 ARG 25 1HH2 ARG 25 -10.912 8.804 7.694
170 HH22 ARG 25 2HH2 ARG 25 -10.631 8.406 9.332
171 H ASP 26 H ASP 26 -7.261 7.619 2.205
172 HA ASP 26 HA ASP 26 -6.389 10.273 1.912
173 HB2 ASP 26 2HB ASP 26 -7.367 8.957 0.084
174 HB3 ASP 26 1HB ASP 26 -8.769 8.690 1.122
175 H LEU 27 H LEU 27 -8.240 11.650 2.047
176 HA LEU 27 HA LEU 27 -8.483 12.312 4.741
177 HB2 LEU 27 2HB LEU 27 -9.452 13.536 2.261
178 HB3 LEU 27 1HB LEU 27 -9.689 14.382 3.804
179 HG LEU 27 HG LEU 27 -7.047 14.220 3.845
180 HD11 LEU 27 1HD1 LEU 27 -7.620 13.905 0.912
181 HD12 LEU 27 2HD1 LEU 27 -6.857 12.722 1.950
182 HD13 LEU 27 3HD1 LEU 27 -6.027 14.254 1.607
183 HD21 LEU 27 3HD2 LEU 27 -8.512 16.071 1.973
184 HD22 LEU 27 1HD2 LEU 27 -6.892 16.341 2.618
185 HD23 LEU 27 2HD2 LEU 27 -8.281 16.309 3.705
186 H SER 28 H SER 28 -10.539 11.346 2.156
187 HA SER 28 HA SER 28 -12.953 11.642 3.634
188 HB2 SER 28 2HB SER 28 -12.938 12.374 1.313
189 HB3 SER 28 1HB SER 28 -12.395 10.792 0.777
190 HG SER 28 HG SER 28 -14.518 10.227 2.028
191 H GLY 29 H GLY 29 -10.561 9.577 3.701
192 HA2 GLY 29 2HA GLY 29 -10.315 7.675 4.556
193 HA3 GLY 29 1HA GLY 29 -12.073 7.416 4.702
194 H ARG 30 H ARG 30 -10.478 8.209 1.755
195 HA ARG 30 HA ARG 30 -11.405 5.791 0.463
196 HB2 ARG 30 2HB ARG 30 -9.569 7.916 -0.657
197 HB3 ARG 30 1HB ARG 30 -10.532 6.760 -1.548
198 HG2 ARG 30 2HG ARG 30 -12.548 7.904 -1.013
199 HG3 ARG 30 1HG ARG 30 -11.709 8.934 0.154
200 HD2 ARG 30 2HD ARG 30 -10.310 9.804 -1.708
201 HD3 ARG 30 1HD ARG 30 -11.297 8.879 -2.832
202 HE ARG 30 HE ARG 30 -13.194 10.226 -1.994
203 HH11 ARG 30 1HH1 ARG 30 -9.896 11.572 -1.546
204 HH12 ARG 30 2HH1 ARG 30 -10.320 13.152 -1.848
205 HH21 ARG 30 1HH2 ARG 30 -13.815 12.495 -2.354
206 HH22 ARG 30 2HH2 ARG 30 -12.629 13.718 -2.309
207 H CYS 31 H CYS 31 -10.059 4.085 -0.102
208 HA CYS 31 HA CYS 31 -7.364 4.258 0.852
209 HB2 CYS 31 2HB CYS 31 -9.121 2.000 0.097
210 HB3 CYS 31 1HB CYS 31 -7.392 1.790 -0.191
211 H VAL 32 H VAL 32 -5.775 4.842 -0.285
212 HA VAL 32 HA VAL 32 -6.047 4.574 -3.054
213 HB VAL 32 HB VAL 32 -6.471 6.878 -2.730
214 HG11 VAL 32 1HG1 VAL 32 -5.944 7.403 -0.523
215 HG12 VAL 32 2HG1 VAL 32 -4.746 8.334 -1.426
216 HG13 VAL 32 3HG1 VAL 32 -4.300 6.787 -0.690
217 HG21 VAL 32 3HG2 VAL 32 -4.875 6.492 -4.530
218 HG22 VAL 32 1HG2 VAL 32 -3.536 6.654 -3.396
219 HG23 VAL 32 2HG2 VAL 32 -4.560 8.048 -3.755
220 HA PRO 33 HA PRO 33 -2.157 2.387 -2.368
221 HB2 PRO 33 2HB PRO 33 -1.398 2.430 -5.053
222 HB3 PRO 33 1HB PRO 33 -2.410 1.174 -4.316
223 HG2 PRO 33 2HG PRO 33 -3.219 3.499 -5.953
224 HG3 PRO 33 1HG PRO 33 -3.915 1.869 -5.875
225 HD2 PRO 33 2HD PRO 33 -5.090 3.966 -4.706
226 HD3 PRO 33 1HD PRO 33 -5.165 2.336 -4.001
227 H TYR 34 H TYR 34 -0.276 3.294 -1.728
228 HA TYR 34 HA TYR 34 0.181 5.982 -2.055
229 HB2 TYR 34 2HB TYR 34 1.212 5.438 -0.239
230 HB3 TYR 34 1HB TYR 34 1.515 3.761 -0.702
231 HD1 TYR 34 1HD TYR 34 2.811 7.289 -1.542
232 HD2 TYR 34 2HD TYR 34 3.813 3.153 -0.795
233 HE1 TYR 34 1HE TYR 34 5.041 7.778 -1.796
234 HE2 TYR 34 2HE TYR 34 6.087 3.710 -1.035
235 HH TYR 34 HH TYR 34 7.470 5.371 -2.113
236 H VAL 35 H VAL 35 1.023 7.218 -3.423
237 HA VAL 35 HA VAL 35 3.255 6.432 -4.976
238 HB VAL 35 HB VAL 35 1.647 8.373 -6.253
239 HG11 VAL 35 1HG1 VAL 35 3.506 7.448 -7.187
240 HG12 VAL 35 2HG1 VAL 35 2.138 7.208 -8.274
241 HG13 VAL 35 3HG1 VAL 35 2.776 5.846 -7.323
242 HG21 VAL 35 3HG2 VAL 35 0.347 5.648 -6.275
243 HG22 VAL 35 1HG2 VAL 35 -0.171 7.040 -7.238
244 HG23 VAL 35 2HG2 VAL 35 -0.277 7.073 -5.457
245 H ASP 36 H ASP 36 4.592 8.017 -4.647
246 HA ASP 36 HA ASP 36 3.558 10.584 -3.617
247 HB2 ASP 36 2HB ASP 36 4.950 9.564 -2.020
248 HB3 ASP 36 1HB ASP 36 6.261 9.256 -3.204
249 H ALA 37 H ALA 37 4.621 12.105 -4.003
250 HA ALA 37 HA ALA 37 3.144 12.845 -5.970
251 HB1 ALA 37 1HB ALA 37 5.633 14.343 -5.402
252 HB2 ALA 37 2HB ALA 37 4.278 14.005 -4.327
253 HB3 ALA 37 3HB ALA 37 3.993 14.983 -5.797
254 H GLU 38 H GLU 38 6.560 12.018 -6.753
255 HA GLU 38 HA GLU 38 6.342 12.763 -9.375
256 HB2 GLU 38 2HB GLU 38 8.185 11.245 -7.767
257 HB3 GLU 38 1HB GLU 38 8.647 11.730 -9.426
258 HG2 GLU 38 2HG GLU 38 9.527 13.608 -8.407
259 HG3 GLU 38 1HG GLU 38 7.837 14.027 -8.058
260 H GLN 39 H GLN 39 4.791 10.380 -7.952
261 HA GLN 39 HA GLN 39 3.793 8.672 -8.467
262 HB2 GLN 39 2HB GLN 39 5.233 9.198 -10.857
263 HB3 GLN 39 1HB GLN 39 4.186 7.720 -10.874
264 HG2 GLN 39 2HG GLN 39 2.335 9.289 -10.230
265 HG3 GLN 39 1HG GLN 39 3.484 10.613 -10.369
266 HE21 GLN 39 1HE2 GLN 39 0.971 10.154 -11.790
267 HE22 GLN 39 2HE2 GLN 39 1.378 10.117 -13.478
268 H LYS 40 H LYS 40 6.024 8.639 -6.964
269 HA LYS 40 HA LYS 40 7.684 6.336 -7.364
270 HB2 LYS 40 2HB LYS 40 6.773 7.747 -4.912
271 HB3 LYS 40 1HB LYS 40 7.993 6.450 -5.034
272 HG2 LYS 40 2HG LYS 40 9.548 7.833 -5.827
273 HG3 LYS 40 1HG LYS 40 8.359 8.848 -6.673
274 HD2 LYS 40 2HD LYS 40 7.655 9.885 -4.617
275 HD3 LYS 40 1HD LYS 40 8.660 8.799 -3.662
276 HE2 LYS 40 2HE LYS 40 10.605 9.934 -4.241
277 HE3 LYS 40 1HE LYS 40 9.873 10.642 -5.681
278 HZ1 LYS 40 3HZ LYS 40 8.784 11.411 -3.016
279 HZ2 LYS 40 1HZ LYS 40 8.695 12.121 -4.496
280 HZ3 LYS 40 2HZ LYS 40 10.126 12.259 -3.723
281 H ASN 41 H ASN 41 7.178 4.351 -6.790
282 HA ASN 41 HA ASN 41 4.510 3.889 -5.639
283 HB2 ASN 41 2HB ASN 41 5.048 3.327 -8.093
284 HB3 ASN 41 1HB ASN 41 6.019 2.068 -7.333
285 HD21 ASN 41 1HD2 ASN 41 2.693 3.186 -7.644
286 HD22 ASN 41 2HD2 ASN 41 1.943 1.678 -7.276
287 H LEU 42 H LEU 42 4.464 1.609 -4.801
288 HA LEU 42 HA LEU 42 6.718 0.374 -3.736
289 HB2 LEU 42 2HB LEU 42 7.010 2.229 -2.309
290 HB3 LEU 42 1HB LEU 42 5.274 2.327 -2.053
291 HG LEU 42 HG LEU 42 5.275 0.431 -0.828
292 HD11 LEU 42 1HD1 LEU 42 7.237 -0.818 -1.674
293 HD12 LEU 42 2HD1 LEU 42 7.440 -0.636 0.069
294 HD13 LEU 42 3HD1 LEU 42 8.330 0.414 -1.040
295 HD21 LEU 42 3HD2 LEU 42 5.390 2.273 0.475
296 HD22 LEU 42 1HD2 LEU 42 7.150 2.490 0.281
297 HD23 LEU 42 2HD2 LEU 42 6.492 1.144 1.234
298 H PHE 43 H PHE 43 5.599 -1.491 -4.446
299 HA PHE 43 HA PHE 43 3.254 -2.215 -3.282
300 HB2 PHE 43 2HB PHE 43 3.733 -4.347 -4.471
301 HB3 PHE 43 1HB PHE 43 4.118 -2.859 -5.366
302 HD1 PHE 43 2HD PHE 43 6.257 -2.289 -6.111
303 HD2 PHE 43 1HD PHE 43 5.666 -5.757 -3.720
304 HE1 PHE 43 2HE PHE 43 8.527 -3.045 -6.661
305 HE2 PHE 43 1HE PHE 43 7.935 -6.517 -4.272
306 HZ PHE 43 HZ PHE 43 9.370 -5.165 -5.739
307 H LEU 44 H LEU 44 3.160 -4.109 -1.621
308 HA LEU 44 HA LEU 44 4.701 -3.509 0.452
309 HB2 LEU 44 2HB LEU 44 2.779 -5.729 -0.048
310 HB3 LEU 44 1HB LEU 44 3.654 -5.659 1.462
311 HG LEU 44 HG LEU 44 1.849 -3.447 0.458
312 HD11 LEU 44 1HD1 LEU 44 0.588 -5.501 0.900
313 HD12 LEU 44 2HD1 LEU 44 0.262 -4.272 2.122
314 HD13 LEU 44 3HD1 LEU 44 1.339 -5.620 2.490
315 HD21 LEU 44 3HD2 LEU 44 1.999 -2.661 2.763
316 HD22 LEU 44 1HD2 LEU 44 3.600 -2.728 2.026
317 HD23 LEU 44 2HD2 LEU 44 3.096 -3.984 3.154
318 H ARG 45 H ARG 45 5.645 -5.661 1.757
319 HA ARG 45 HA ARG 45 7.510 -6.983 0.035
320 HB2 ARG 45 2HB ARG 45 7.339 -6.254 2.806
321 HB3 ARG 45 1HB ARG 45 8.075 -7.847 2.529
322 HG2 ARG 45 2HG ARG 45 9.835 -6.170 2.736
323 HG3 ARG 45 1HG ARG 45 9.779 -6.759 1.086
324 HD2 ARG 45 2HD ARG 45 8.482 -4.186 1.984
325 HD3 ARG 45 1HD ARG 45 10.137 -4.277 1.396
326 HE ARG 45 HE ARG 45 7.863 -5.141 -0.269
327 HH11 ARG 45 1HH1 ARG 45 10.762 -3.136 0.136
328 HH12 ARG 45 2HH1 ARG 45 10.677 -2.453 -1.418
329 HH21 ARG 45 1HH2 ARG 45 7.733 -4.224 -2.333
330 HH22 ARG 45 2HH2 ARG 45 8.878 -3.105 -2.905
331 H LYS 46 H LYS 46 7.924 -9.306 0.578
332 HA LYS 46 HA LYS 46 5.535 -10.772 0.249
333 HB2 LYS 46 2HB LYS 46 6.960 -12.823 0.325
334 HB3 LYS 46 1HB LYS 46 7.466 -11.635 -0.860
335 HG2 LYS 46 2HG LYS 46 9.303 -10.951 0.502
336 HG3 LYS 46 1HG LYS 46 8.712 -11.889 1.863
337 HD2 LYS 46 2HD LYS 46 10.646 -12.968 0.765
338 HD3 LYS 46 1HD LYS 46 9.207 -13.971 0.687
339 HE2 LYS 46 2HE LYS 46 9.844 -12.172 -1.619
340 HE3 LYS 46 1HE LYS 46 10.787 -13.640 -1.408
341 HZ1 LYS 46 3HZ LYS 46 8.776 -13.826 -2.897
342 HZ2 LYS 46 1HZ LYS 46 7.790 -13.632 -1.608
343 HZ3 LYS 46 2HZ LYS 46 8.761 -14.962 -1.661
344 H GLY 47 H GLY 47 4.256 -11.747 1.513
345 HA2 GLY 47 2HA GLY 47 3.648 -13.154 3.264
346 HA3 GLY 47 1HA GLY 47 5.183 -12.812 4.075
347 H LYS 48 H LYS 48 3.331 -10.181 2.824
348 HA LYS 48 HA LYS 48 2.546 -9.544 5.518
349 HB2 LYS 48 2HB LYS 48 3.050 -8.079 3.064
350 HB3 LYS 48 1HB LYS 48 1.639 -7.473 3.930
351 HG2 LYS 48 2HG LYS 48 3.277 -6.118 4.845
352 HG3 LYS 48 1HG LYS 48 3.329 -7.450 5.978
353 HD2 LYS 48 2HD LYS 48 5.233 -7.031 3.654
354 HD3 LYS 48 1HD LYS 48 5.568 -6.606 5.322
355 HE2 LYS 48 2HE LYS 48 5.142 -9.381 4.209
356 HE3 LYS 48 1HE LYS 48 6.680 -8.678 4.686
357 HZ1 LYS 48 3HZ LYS 48 5.828 -10.185 6.327
358 HZ2 LYS 48 1HZ LYS 48 4.402 -9.319 6.480
359 HZ3 LYS 48 2HZ LYS 48 5.868 -8.632 6.998
360 HA PRO 49 HA PRO 49 -1.459 -11.269 4.654
361 HB2 PRO 49 2HB PRO 49 -2.459 -9.428 6.740
362 HB3 PRO 49 1HB PRO 49 -2.511 -11.201 6.702
363 HG2 PRO 49 2HG PRO 49 -0.885 -9.949 8.366
364 HG3 PRO 49 1HG PRO 49 -0.396 -11.443 7.543
365 HD2 PRO 49 2HD PRO 49 0.370 -8.630 6.911
366 HD3 PRO 49 1HD PRO 49 1.351 -10.115 6.923
367 H CYS 50 H CYS 50 -2.718 -10.693 3.048
368 HA CYS 50 HA CYS 50 -3.580 -7.961 2.881
369 HB2 CYS 50 2HB CYS 50 -3.451 -8.124 0.432
370 HB3 CYS 50 1HB CYS 50 -1.886 -8.458 1.158
371 H THR 51 H THR 51 -5.377 -8.542 0.714
372 HA THR 51 HA THR 51 -7.716 -9.173 1.983
373 HB THR 51 HB THR 51 -8.496 -9.678 -0.419
374 HG1 THR 51 1HG THR 51 -6.031 -8.534 -1.137
375 HG21 THR 51 3HG2 THR 51 -8.661 -7.484 0.728
376 HG22 THR 51 1HG2 THR 51 -8.321 -7.343 -1.014
377 HG23 THR 51 2HG2 THR 51 -7.010 -7.157 0.144
378 H VAL 52 H VAL 52 -6.277 -11.151 -0.409
379 HA VAL 52 HA VAL 52 -7.885 -13.441 0.359
380 HB VAL 52 HB VAL 52 -7.081 -14.517 -1.681
381 HG11 VAL 52 1HG1 VAL 52 -8.075 -12.871 -3.264
382 HG12 VAL 52 2HG1 VAL 52 -8.032 -11.666 -1.969
383 HG13 VAL 52 3HG1 VAL 52 -9.034 -13.104 -1.802
384 HG21 VAL 52 3HG2 VAL 52 -5.548 -11.969 -2.192
385 HG22 VAL 52 1HG2 VAL 52 -5.610 -13.385 -3.224
386 HG23 VAL 52 2HG2 VAL 52 -4.789 -13.469 -1.653
387 H GLY 53 H GLY 53 -4.827 -12.504 1.370
388 HA2 GLY 53 2HA GLY 53 -4.201 -14.579 2.822
389 HA3 GLY 53 1HA GLY 53 -3.630 -15.105 1.229
390 H PHE 54 H PHE 54 -1.514 -14.728 0.952
391 HA PHE 54 HA PHE 54 -0.442 -12.443 2.383
392 HB2 PHE 54 2HB PHE 54 1.704 -13.476 2.449
393 HB3 PHE 54 1HB PHE 54 0.450 -14.667 2.867
394 HD1 PHE 54 1HD PHE 54 2.736 -13.638 0.111
395 HD2 PHE 54 2HD PHE 54 0.311 -16.719 1.771
396 HE1 PHE 54 1HE PHE 54 3.668 -15.237 -1.506
397 HE2 PHE 54 2HE PHE 54 1.233 -18.319 0.148
398 HZ PHE 54 HZ PHE 54 2.913 -17.580 -1.493
399 H CYS 55 H CYS 55 1.000 -11.194 1.468
400 HA CYS 55 HA CYS 55 0.585 -10.619 -1.360
401 HB2 CYS 55 2HB CYS 55 0.183 -8.834 0.252
402 HB3 CYS 55 1HB CYS 55 1.738 -9.203 1.000
403 H ASP 56 H ASP 56 2.410 -10.842 -2.828
404 HA ASP 56 HA ASP 56 4.947 -11.334 -1.441
405 HB2 ASP 56 2HB ASP 56 3.883 -13.287 -2.833
406 HB3 ASP 56 1HB ASP 56 4.514 -12.391 -4.217
407 H MET 57 H MET 57 6.717 -11.119 -3.497
408 HA MET 57 HA MET 57 6.929 -8.236 -3.613
409 HB2 MET 57 2HB MET 57 8.749 -10.379 -4.716
410 HB3 MET 57 1HB MET 57 9.144 -8.674 -4.622
411 HG2 MET 57 2HG MET 57 8.582 -10.454 -2.258
412 HG3 MET 57 1HG MET 57 10.187 -10.044 -2.845
413 HE1 MET 57 3HE MET 57 11.257 -7.622 -2.670
414 HE2 MET 57 1HE MET 57 10.390 -6.207 -2.078
415 HE3 MET 57 2HE MET 57 9.907 -6.965 -3.592
416 H ASN 58 H ASN 58 5.134 -10.044 -5.315
417 HA ASN 58 HA ASN 58 5.759 -9.078 -8.009
418 HB2 ASN 58 2HB ASN 58 5.158 -11.459 -7.710
419 HB3 ASN 58 1HB ASN 58 3.631 -10.986 -6.991
420 HD21 ASN 58 1HD2 ASN 58 5.031 -9.452 -9.861
421 HD22 ASN 58 2HD2 ASN 58 3.816 -10.030 -10.940
422 H GLY 59 H GLY 59 3.921 -8.264 -5.242
423 HA2 GLY 59 2HA GLY 59 2.274 -6.606 -4.899
424 HA3 GLY 59 1HA GLY 59 2.437 -6.184 -6.621
425 H LYS 60 H LYS 60 1.941 -9.336 -5.462
426 HA LYS 60 HA LYS 60 -0.961 -9.390 -6.041
427 HB2 LYS 60 2HB LYS 60 0.714 -10.246 -7.985
428 HB3 LYS 60 1HB LYS 60 0.875 -11.498 -6.733
429 HG2 LYS 60 2HG LYS 60 -1.492 -12.003 -6.842
430 HG3 LYS 60 1HG LYS 60 -1.726 -10.762 -8.070
431 HD2 LYS 60 2HD LYS 60 -1.622 -12.925 -9.146
432 HD3 LYS 60 1HD LYS 60 -0.171 -12.011 -9.562
433 HE2 LYS 60 2HE LYS 60 0.411 -14.316 -9.042
434 HE3 LYS 60 1HE LYS 60 1.079 -13.246 -7.815
435 HZ1 LYS 60 3HZ LYS 60 -1.269 -15.091 -7.496
436 HZ2 LYS 60 1HZ LYS 60 -0.974 -13.860 -6.429
437 HZ3 LYS 60 2HZ LYS 60 0.102 -15.047 -6.615
438 H CYS 61 H CYS 61 -1.833 -10.878 -5.148
439 HA CYS 61 HA CYS 61 -0.612 -11.854 -2.693
440 HB2 CYS 61 2HB CYS 61 -3.197 -10.987 -3.665
441 HB3 CYS 61 1HB CYS 61 -3.211 -12.053 -2.213
442 H GLU 62 H GLU 62 -1.033 -14.026 -2.171
443 HA GLU 62 HA GLU 62 -0.745 -16.197 -2.667
444 HB2 GLU 62 2HB GLU 62 -3.303 -15.321 -3.662
445 HB3 GLU 62 1HB GLU 62 -3.007 -17.094 -3.587
446 HG2 GLU 62 2HG GLU 62 -3.366 -14.983 -1.444
447 HG3 GLU 62 1HG GLU 62 -4.336 -16.430 -1.689
Start of MODEL 12
1 H PHE 1 1HT PHE 1 5.995 5.034 6.142
2 HA PHE 1 HA PHE 1 5.963 4.023 3.973
3 HB2 PHE 1 2HB PHE 1 3.000 3.561 4.479
4 HB3 PHE 1 1HB PHE 1 3.930 3.105 3.066
5 HD1 PHE 1 1HD PHE 1 3.512 2.466 6.608
6 HD2 PHE 1 2HD PHE 1 4.822 0.935 2.887
7 HE1 PHE 1 1HE PHE 1 3.799 0.209 7.650
8 HE2 PHE 1 2HE PHE 1 5.138 -1.289 3.885
9 HZ PHE 1 HZ PHE 1 4.622 -1.659 6.267
10 H CYS 2 H CYS 2 3.016 5.441 5.210
11 HA CYS 2 HA CYS 2 3.786 7.836 3.742
12 HB2 CYS 2 2HB CYS 2 0.995 6.841 4.180
13 HB3 CYS 2 1HB CYS 2 1.446 8.418 3.518
14 H GLU 3 H GLU 3 3.093 6.519 6.683
15 HA GLU 3 HA GLU 3 1.621 8.388 8.104
16 HB2 GLU 3 2HB GLU 3 3.907 6.831 9.317
17 HB3 GLU 3 1HB GLU 3 2.457 7.398 10.116
18 HG2 GLU 3 2HG GLU 3 2.215 5.084 9.906
19 HG3 GLU 3 1HG GLU 3 1.180 5.782 8.648
20 H ARG 4 H ARG 4 5.111 8.161 8.209
21 HA ARG 4 HA ARG 4 5.122 10.784 9.271
22 HB2 ARG 4 2HB ARG 4 6.742 9.002 10.057
23 HB3 ARG 4 1HB ARG 4 7.518 9.088 8.495
24 HG2 ARG 4 2HG ARG 4 7.371 11.523 10.277
25 HG3 ARG 4 1HG ARG 4 8.583 10.290 10.553
26 HD2 ARG 4 2HD ARG 4 9.651 12.007 9.289
27 HD3 ARG 4 1HD ARG 4 9.356 10.703 8.153
28 HE ARG 4 HE ARG 4 7.240 12.585 8.080
29 HH11 ARG 4 1HH1 ARG 4 10.597 12.281 7.016
30 HH12 ARG 4 2HH1 ARG 4 10.386 13.268 5.636
31 HH21 ARG 4 1HH2 ARG 4 6.932 13.899 6.229
32 HH22 ARG 4 2HH2 ARG 4 8.192 14.207 5.158
33 H GLU 5 H GLU 5 6.203 8.959 6.520
34 HA GLU 5 HA GLU 5 7.609 10.607 5.004
35 HB2 GLU 5 2HB GLU 5 5.618 8.535 4.101
36 HB3 GLU 5 1HB GLU 5 6.962 9.145 3.155
37 HG2 GLU 5 2HG GLU 5 7.703 7.036 3.958
38 HG3 GLU 5 1HG GLU 5 8.438 8.237 5.075
39 H GLN 6 H GLN 6 4.001 10.360 4.893
40 HA GLN 6 HA GLN 6 4.021 12.678 3.060
41 HB2 GLN 6 2HB GLN 6 1.988 10.459 3.170
42 HB3 GLN 6 1HB GLN 6 2.034 11.783 2.026
43 HG2 GLN 6 2HG GLN 6 4.016 9.547 2.235
44 HG3 GLN 6 1HG GLN 6 2.675 9.666 1.079
45 HE21 GLN 6 1HE2 GLN 6 2.878 11.129 -0.648
46 HE22 GLN 6 2HE2 GLN 6 4.403 11.832 -1.066
47 H GLN 7 H GLN 7 3.328 11.509 6.135
48 HA GLN 7 HA GLN 7 2.180 11.892 7.673
49 HB2 GLN 7 2HB GLN 7 1.516 14.550 6.402
50 HB3 GLN 7 1HB GLN 7 1.180 14.156 8.079
51 HG2 GLN 7 2HG GLN 7 3.260 15.102 8.454
52 HG3 GLN 7 1HG GLN 7 3.677 13.440 7.972
53 HE21 GLN 7 1HE2 GLN 7 2.591 15.524 5.473
54 HE22 GLN 7 2HE2 GLN 7 4.130 15.740 4.728
55 H LEU 8 H LEU 8 1.092 10.428 5.714
56 HA LEU 8 HA LEU 8 -1.872 10.755 5.820
57 HB2 LEU 8 2HB LEU 8 -0.206 8.813 4.243
58 HB3 LEU 8 1HB LEU 8 -1.927 9.007 4.176
59 HG LEU 8 HG LEU 8 -0.042 11.129 3.459
60 HD11 LEU 8 1HD1 LEU 8 -0.750 10.457 1.019
61 HD12 LEU 8 2HD1 LEU 8 -1.210 8.898 1.750
62 HD13 LEU 8 3HD1 LEU 8 0.452 9.477 1.829
63 HD21 LEU 8 3HD2 LEU 8 -1.979 12.074 2.210
64 HD22 LEU 8 1HD2 LEU 8 -2.235 11.960 3.951
65 HD23 LEU 8 2HD2 LEU 8 -2.973 10.776 2.872
66 H GLU 9 H GLU 9 -2.718 8.615 5.782
67 HA GLU 9 HA GLU 9 -1.711 7.094 8.127
68 HB2 GLU 9 2HB GLU 9 -4.143 8.065 8.041
69 HB3 GLU 9 1HB GLU 9 -4.351 6.814 6.810
70 HG2 GLU 9 2HG GLU 9 -3.793 5.102 8.463
71 HG3 GLU 9 1HG GLU 9 -3.734 6.357 9.704
72 H SER 10 H SER 10 -1.607 4.759 7.763
73 HA SER 10 HA SER 10 -1.186 4.003 5.054
74 HB2 SER 10 2HB SER 10 -0.323 2.087 6.126
75 HB3 SER 10 1HB SER 10 0.187 3.665 6.900
76 HG SER 10 HG SER 10 -2.049 2.577 8.009
77 H CYS 11 H CYS 11 -2.338 2.129 4.179
78 HA CYS 11 HA CYS 11 -4.474 1.025 5.724
79 HB2 CYS 11 2HB CYS 11 -6.355 1.931 4.617
80 HB3 CYS 11 1HB CYS 11 -5.256 3.302 4.557
81 H ALA 12 H ALA 12 -5.810 -0.478 3.981
82 HA ALA 12 HA ALA 12 -3.815 -1.627 2.188
83 HB1 ALA 12 1HB ALA 12 -5.702 -3.108 4.025
84 HB2 ALA 12 2HB ALA 12 -3.945 -3.033 4.184
85 HB3 ALA 12 3HB ALA 12 -4.675 -3.862 2.806
86 H CYS 13 H CYS 13 -4.595 -1.731 0.145
87 HA CYS 13 HA CYS 13 -7.181 -0.894 -0.442
88 HB2 CYS 13 2HB CYS 13 -5.075 -2.266 -2.124
89 HB3 CYS 13 1HB CYS 13 -6.532 -1.530 -2.750
90 H ASN 14 H ASN 14 -8.995 -1.883 -0.826
91 HA ASN 14 HA ASN 14 -9.574 -4.405 0.247
92 HB2 ASN 14 2HB ASN 14 -11.105 -2.380 -0.125
93 HB3 ASN 14 1HB ASN 14 -11.208 -2.906 -1.792
94 HD21 ASN 14 1HD2 ASN 14 -11.405 -5.818 -1.037
95 HD22 ASN 14 2HD2 ASN 14 -12.997 -5.969 -0.372
96 H GLU 15 H GLU 15 -8.505 -3.435 -2.876
97 HA GLU 15 HA GLU 15 -9.446 -5.661 -4.182
98 HB2 GLU 15 2HB GLU 15 -9.107 -3.372 -5.205
99 HB3 GLU 15 1HB GLU 15 -7.380 -3.663 -5.089
100 HG2 GLU 15 2HG GLU 15 -9.217 -5.384 -6.727
101 HG3 GLU 15 1HG GLU 15 -8.378 -3.969 -7.363
102 H THR 16 H THR 16 -8.074 -7.457 -4.861
103 HA THR 16 HA THR 16 -6.315 -8.455 -2.938
104 HB THR 16 HB THR 16 -6.852 -9.352 -5.761
105 HG1 THR 16 1HG THR 16 -8.631 -9.968 -4.853
106 HG21 THR 16 3HG2 THR 16 -5.630 -10.996 -3.507
107 HG22 THR 16 1HG2 THR 16 -4.685 -10.155 -4.774
108 HG23 THR 16 2HG2 THR 16 -5.828 -11.436 -5.204
109 H ASP 17 H ASP 17 -5.601 -7.221 -6.205
110 HA ASP 17 HA ASP 17 -2.931 -7.984 -5.987
111 HB2 ASP 17 2HB ASP 17 -3.987 -7.670 -8.171
112 HB3 ASP 17 1HB ASP 17 -4.254 -5.974 -7.732
113 H ASN 18 H ASN 18 -4.756 -4.994 -5.535
114 HA ASN 18 HA ASN 18 -2.523 -3.348 -5.102
115 HB2 ASN 18 2HB ASN 18 -5.456 -2.951 -4.793
116 HB3 ASN 18 1HB ASN 18 -4.331 -1.743 -4.202
117 HD21 ASN 18 1HD2 ASN 18 -5.417 -3.473 -7.101
118 HD22 ASN 18 2HD2 ASN 18 -4.835 -2.292 -8.211
119 H SER 19 H SER 19 -4.026 -5.501 -3.155
120 HA SER 19 HA SER 19 -3.410 -4.082 -0.706
121 HB2 SER 19 2HB SER 19 -4.045 -6.148 0.549
122 HB3 SER 19 1HB SER 19 -5.269 -5.691 -0.637
123 HG SER 19 HG SER 19 -4.188 -7.325 -2.035
124 H CYS 20 H CYS 20 -1.504 -5.272 -2.880
125 HA CYS 20 HA CYS 20 0.625 -6.147 -1.088
126 HB2 CYS 20 2HB CYS 20 0.218 -6.396 -4.043
127 HB3 CYS 20 1HB CYS 20 1.734 -6.809 -3.249
128 H LYS 21 H LYS 21 -0.460 -3.297 -2.237
129 HA LYS 21 HA LYS 21 2.234 -2.070 -2.288
130 HB2 LYS 21 2HB LYS 21 -0.252 -1.441 -3.815
131 HB3 LYS 21 1HB LYS 21 1.176 -0.396 -3.784
132 HG2 LYS 21 2HG LYS 21 1.319 -1.448 -5.886
133 HG3 LYS 21 1HG LYS 21 2.337 -2.469 -4.866
134 HD2 LYS 21 2HD LYS 21 0.386 -3.998 -4.559
135 HD3 LYS 21 1HD LYS 21 -0.509 -3.012 -5.715
136 HE2 LYS 21 2HE LYS 21 1.161 -3.509 -7.434
137 HE3 LYS 21 1HE LYS 21 2.064 -4.486 -6.278
138 HZ1 LYS 21 3HZ LYS 21 -0.127 -5.856 -6.111
139 HZ2 LYS 21 1HZ LYS 21 0.697 -5.994 -7.581
140 HZ3 LYS 21 2HZ LYS 21 -0.610 -5.016 -7.436
141 H VAL 22 H VAL 22 2.314 -0.134 -1.827
142 HA VAL 22 HA VAL 22 1.288 0.061 0.770
143 HB VAL 22 HB VAL 22 3.008 1.889 -0.884
144 HG11 VAL 22 1HG1 VAL 22 3.471 3.030 1.245
145 HG12 VAL 22 2HG1 VAL 22 2.129 2.103 1.984
146 HG13 VAL 22 3HG1 VAL 22 1.827 3.204 0.644
147 HG21 VAL 22 3HG2 VAL 22 3.715 0.121 1.467
148 HG22 VAL 22 1HG2 VAL 22 4.822 0.868 0.339
149 HG23 VAL 22 2HG2 VAL 22 3.783 -0.500 -0.172
150 H CYS 23 H CYS 23 -0.585 0.432 0.842
151 HA CYS 23 HA CYS 23 -1.780 2.668 -0.639
152 HB2 CYS 23 2HB CYS 23 -3.291 0.809 1.166
153 HB3 CYS 23 1HB CYS 23 -3.865 1.959 -0.057
154 H CYS 24 H CYS 24 -2.810 4.343 0.447
155 HA CYS 24 HA CYS 24 -2.219 4.542 3.239
156 HB2 CYS 24 2HB CYS 24 -1.382 6.555 1.107
157 HB3 CYS 24 1HB CYS 24 -1.215 6.804 2.835
158 H ARG 25 H ARG 25 -3.392 6.847 3.842
159 HA ARG 25 HA ARG 25 -5.991 6.403 2.617
160 HB2 ARG 25 2HB ARG 25 -5.197 6.155 5.190
161 HB3 ARG 25 1HB ARG 25 -5.840 7.799 5.160
162 HG2 ARG 25 2HG ARG 25 -7.857 6.682 3.977
163 HG3 ARG 25 1HG ARG 25 -7.170 5.194 4.662
164 HD2 ARG 25 2HD ARG 25 -7.142 6.306 6.873
165 HD3 ARG 25 1HD ARG 25 -7.898 7.676 6.023
166 HE ARG 25 HE ARG 25 -9.704 5.978 5.468
167 HH11 ARG 25 1HH1 ARG 25 -7.875 5.730 8.490
168 HH12 ARG 25 2HH1 ARG 25 -9.171 5.400 9.485
169 HH21 ARG 25 1HH2 ARG 25 -11.567 5.457 6.772
170 HH22 ARG 25 2HH2 ARG 25 -11.399 5.196 8.461
171 H ASP 26 H ASP 26 -7.231 8.235 2.379
172 HA ASP 26 HA ASP 26 -5.614 10.579 1.800
173 HB2 ASP 26 2HB ASP 26 -6.766 10.844 -0.179
174 HB3 ASP 26 1HB ASP 26 -6.915 9.099 0.028
175 H LEU 27 H LEU 27 -7.316 12.322 1.544
176 HA LEU 27 HA LEU 27 -7.881 13.216 4.070
177 HB2 LEU 27 2HB LEU 27 -9.109 14.389 1.600
178 HB3 LEU 27 1HB LEU 27 -8.762 15.221 3.102
179 HG LEU 27 HG LEU 27 -6.284 14.437 2.403
180 HD11 LEU 27 1HD1 LEU 27 -5.926 14.749 0.022
181 HD12 LEU 27 2HD1 LEU 27 -7.661 14.924 -0.218
182 HD13 LEU 27 3HD1 LEU 27 -7.011 13.385 0.319
183 HD21 LEU 27 3HD2 LEU 27 -6.932 16.711 3.001
184 HD22 LEU 27 1HD2 LEU 27 -7.697 16.921 1.426
185 HD23 LEU 27 2HD2 LEU 27 -5.949 16.719 1.537
186 H SER 28 H SER 28 -9.904 11.669 1.676
187 HA SER 28 HA SER 28 -12.288 12.238 3.107
188 HB2 SER 28 2HB SER 28 -12.368 12.373 0.673
189 HB3 SER 28 1HB SER 28 -11.796 10.716 0.536
190 HG SER 28 HG SER 28 -13.852 10.470 1.995
191 H GLY 29 H GLY 29 -9.828 10.246 3.497
192 HA2 GLY 29 2HA GLY 29 -9.459 8.620 4.761
193 HA3 GLY 29 1HA GLY 29 -11.158 8.555 5.257
194 H ARG 30 H ARG 30 -10.058 8.158 1.918
195 HA ARG 30 HA ARG 30 -11.098 5.430 1.920
196 HB2 ARG 30 2HB ARG 30 -10.267 7.269 -0.312
197 HB3 ARG 30 1HB ARG 30 -11.103 5.733 -0.481
198 HG2 ARG 30 2HG ARG 30 -13.091 6.581 0.368
199 HG3 ARG 30 1HG ARG 30 -12.287 7.978 1.096
200 HD2 ARG 30 2HD ARG 30 -12.521 7.447 -1.850
201 HD3 ARG 30 1HD ARG 30 -13.537 8.563 -0.916
202 HE ARG 30 HE ARG 30 -10.855 9.214 -0.476
203 HH11 ARG 30 1HH1 ARG 30 -13.132 9.269 -3.167
204 HH12 ARG 30 2HH1 ARG 30 -12.505 10.686 -3.886
205 HH21 ARG 30 1HH2 ARG 30 -10.027 11.152 -1.367
206 HH22 ARG 30 2HH2 ARG 30 -10.625 11.814 -2.821
207 H CYS 31 H CYS 31 -9.817 3.977 0.396
208 HA CYS 31 HA CYS 31 -7.025 4.147 1.088
209 HB2 CYS 31 2HB CYS 31 -8.790 1.944 0.181
210 HB3 CYS 31 1HB CYS 31 -7.069 1.844 -0.193
211 H VAL 32 H VAL 32 -5.529 4.779 -0.175
212 HA VAL 32 HA VAL 32 -6.005 4.660 -2.927
213 HB VAL 32 HB VAL 32 -6.458 6.952 -2.422
214 HG11 VAL 32 1HG1 VAL 32 -4.751 8.409 -1.254
215 HG12 VAL 32 2HG1 VAL 32 -3.976 6.894 -0.720
216 HG13 VAL 32 3HG1 VAL 32 -5.628 7.269 -0.251
217 HG21 VAL 32 3HG2 VAL 32 -5.090 6.644 -4.419
218 HG22 VAL 32 1HG2 VAL 32 -3.625 6.784 -3.449
219 HG23 VAL 32 2HG2 VAL 32 -4.696 8.176 -3.631
220 HA PRO 33 HA PRO 33 -1.965 2.598 -2.579
221 HB2 PRO 33 2HB PRO 33 -1.886 3.169 -5.497
222 HB3 PRO 33 1HB PRO 33 -1.732 1.606 -4.671
223 HG2 PRO 33 2HG PRO 33 -3.921 2.192 -6.028
224 HG3 PRO 33 1HG PRO 33 -3.990 1.286 -4.503
225 HD2 PRO 33 2HD PRO 33 -4.668 4.146 -5.010
226 HD3 PRO 33 1HD PRO 33 -5.439 2.960 -3.936
227 H TYR 34 H TYR 34 -0.110 3.693 -2.029
228 HA TYR 34 HA TYR 34 -0.095 6.432 -2.582
229 HB2 TYR 34 2HB TYR 34 0.821 6.292 -0.653
230 HB3 TYR 34 1HB TYR 34 1.615 4.720 -0.876
231 HD1 TYR 34 1HD TYR 34 1.904 8.367 -2.086
232 HD2 TYR 34 2HD TYR 34 3.944 4.809 -0.876
233 HE1 TYR 34 1HE TYR 34 3.968 9.470 -2.360
234 HE2 TYR 34 2HE TYR 34 6.088 5.993 -1.152
235 HH TYR 34 HH TYR 34 6.188 9.412 -1.866
236 H VAL 35 H VAL 35 0.454 7.560 -4.100
237 HA VAL 35 HA VAL 35 2.963 7.219 -5.319
238 HB VAL 35 HB VAL 35 1.162 8.425 -7.037
239 HG11 VAL 35 1HG1 VAL 35 2.806 5.991 -7.511
240 HG12 VAL 35 2HG1 VAL 35 3.278 7.688 -7.516
241 HG13 VAL 35 3HG1 VAL 35 2.160 7.109 -8.748
242 HG21 VAL 35 3HG2 VAL 35 -0.250 6.586 -7.898
243 HG22 VAL 35 1HG2 VAL 35 -0.592 6.956 -6.204
244 HG23 VAL 35 2HG2 VAL 35 0.371 5.533 -6.616
245 H ASP 36 H ASP 36 3.738 9.249 -5.218
246 HA ASP 36 HA ASP 36 1.789 11.466 -5.140
247 HB2 ASP 36 2HB ASP 36 3.047 12.650 -3.627
248 HB3 ASP 36 1HB ASP 36 3.219 11.005 -3.031
249 H ALA 37 H ALA 37 3.707 13.193 -5.556
250 HA ALA 37 HA ALA 37 2.045 13.555 -7.638
251 HB1 ALA 37 1HB ALA 37 2.829 14.865 -6.065
252 HB2 ALA 37 2HB ALA 37 2.886 15.693 -7.683
253 HB3 ALA 37 3HB ALA 37 4.395 15.094 -6.855
254 H GLU 38 H GLU 38 5.518 12.497 -7.861
255 HA GLU 38 HA GLU 38 5.226 12.846 -10.591
256 HB2 GLU 38 2HB GLU 38 7.507 13.116 -10.633
257 HB3 GLU 38 1HB GLU 38 6.683 13.621 -9.101
258 HG2 GLU 38 2HG GLU 38 7.686 11.023 -8.913
259 HG3 GLU 38 1HG GLU 38 9.040 12.198 -9.036
260 H GLN 39 H GLN 39 4.233 10.683 -8.702
261 HA GLN 39 HA GLN 39 3.603 8.810 -8.811
262 HB2 GLN 39 2HB GLN 39 5.016 8.965 -11.235
263 HB3 GLN 39 1HB GLN 39 4.302 7.347 -10.865
264 HG2 GLN 39 2HG GLN 39 2.135 8.565 -10.627
265 HG3 GLN 39 1HG GLN 39 2.978 10.053 -11.047
266 HE21 GLN 39 1HE2 GLN 39 3.611 10.353 -13.184
267 HE22 GLN 39 2HE2 GLN 39 2.969 9.400 -14.487
268 H LYS 40 H LYS 40 5.821 9.304 -7.087
269 HA LYS 40 HA LYS 40 7.536 7.020 -7.097
270 HB2 LYS 40 2HB LYS 40 6.439 8.634 -4.876
271 HB3 LYS 40 1HB LYS 40 7.687 7.370 -4.719
272 HG2 LYS 40 2HG LYS 40 9.080 8.748 -6.125
273 HG3 LYS 40 1HG LYS 40 7.842 10.038 -6.078
274 HD2 LYS 40 2HD LYS 40 8.056 9.495 -3.442
275 HD3 LYS 40 1HD LYS 40 9.699 9.101 -3.934
276 HE2 LYS 40 2HE LYS 40 9.597 11.393 -3.195
277 HE3 LYS 40 1HE LYS 40 9.885 11.351 -4.935
278 HZ1 LYS 40 3HZ LYS 40 8.134 12.999 -4.313
279 HZ2 LYS 40 1HZ LYS 40 7.148 11.744 -3.774
280 HZ3 LYS 40 2HZ LYS 40 7.614 11.860 -5.353
281 H ASN 41 H ASN 41 7.090 5.089 -6.246
282 HA ASN 41 HA ASN 41 4.495 4.744 -4.983
283 HB2 ASN 41 2HB ASN 41 4.620 4.188 -7.457
284 HB3 ASN 41 1HB ASN 41 5.802 3.000 -6.891
285 HD21 ASN 41 1HD2 ASN 41 2.390 3.868 -6.572
286 HD22 ASN 41 2HD2 ASN 41 1.823 2.278 -6.219
287 H LEU 42 H LEU 42 4.561 2.393 -4.181
288 HA LEU 42 HA LEU 42 7.150 1.455 -3.254
289 HB2 LEU 42 2HB LEU 42 4.959 2.192 -1.344
290 HB3 LEU 42 1HB LEU 42 6.393 1.285 -0.939
291 HG LEU 42 HG LEU 42 6.341 4.155 -1.809
292 HD11 LEU 42 1HD1 LEU 42 6.596 4.664 0.538
293 HD12 LEU 42 2HD1 LEU 42 6.756 2.944 0.924
294 HD13 LEU 42 3HD1 LEU 42 5.208 3.567 0.358
295 HD21 LEU 42 3HD2 LEU 42 8.541 2.440 -0.629
296 HD22 LEU 42 1HD2 LEU 42 8.654 4.169 -0.964
297 HD23 LEU 42 2HD2 LEU 42 8.469 3.026 -2.293
298 H PHE 43 H PHE 43 7.056 -0.689 -3.525
299 HA PHE 43 HA PHE 43 4.600 -1.981 -3.476
300 HB2 PHE 43 2HB PHE 43 6.257 -2.478 -5.173
301 HB3 PHE 43 1HB PHE 43 7.429 -2.878 -3.929
302 HD1 PHE 43 1HD PHE 43 4.103 -3.876 -5.224
303 HD2 PHE 43 2HD PHE 43 7.661 -5.104 -3.264
304 HE1 PHE 43 1HE PHE 43 3.335 -6.192 -5.302
305 HE2 PHE 43 2HE PHE 43 6.904 -7.434 -3.326
306 HZ PHE 43 HZ PHE 43 4.732 -7.990 -4.350
307 H LEU 44 H LEU 44 4.025 -3.412 -1.695
308 HA LEU 44 HA LEU 44 5.136 -2.929 0.668
309 HB2 LEU 44 2HB LEU 44 3.114 -4.878 -0.271
310 HB3 LEU 44 1HB LEU 44 3.705 -5.010 1.370
311 HG LEU 44 HG LEU 44 2.392 -2.543 0.216
312 HD11 LEU 44 1HD1 LEU 44 0.809 -4.347 0.355
313 HD12 LEU 44 2HD1 LEU 44 0.520 -3.239 1.706
314 HD13 LEU 44 3HD1 LEU 44 1.395 -4.757 1.958
315 HD21 LEU 44 3HD2 LEU 44 2.261 -1.855 2.558
316 HD22 LEU 44 1HD2 LEU 44 3.937 -2.060 2.056
317 HD23 LEU 44 2HD2 LEU 44 3.154 -3.297 3.035
318 H ARG 45 H ARG 45 5.447 -5.253 2.092
319 HA ARG 45 HA ARG 45 7.598 -6.626 0.822
320 HB2 ARG 45 2HB ARG 45 6.499 -6.425 3.510
321 HB3 ARG 45 1HB ARG 45 7.891 -7.526 3.198
322 HG2 ARG 45 2HG ARG 45 7.705 -4.492 3.038
323 HG3 ARG 45 1HG ARG 45 8.702 -5.430 4.149
324 HD2 ARG 45 2HD ARG 45 10.191 -6.073 2.423
325 HD3 ARG 45 1HD ARG 45 9.096 -5.555 1.150
326 HE ARG 45 HE ARG 45 10.736 -3.865 2.850
327 HH11 ARG 45 1HH1 ARG 45 8.450 -4.193 0.122
328 HH12 ARG 45 2HH1 ARG 45 8.643 -2.652 -0.466
329 HH21 ARG 45 1HH2 ARG 45 11.106 -1.653 1.957
330 HH22 ARG 45 2HH2 ARG 45 10.251 -1.168 0.571
331 H LYS 46 H LYS 46 7.664 -9.072 1.338
332 HA LYS 46 HA LYS 46 5.123 -10.102 0.397
333 HB2 LYS 46 2HB LYS 46 6.310 -12.189 -0.130
334 HB3 LYS 46 1HB LYS 46 7.027 -10.785 -0.905
335 HG2 LYS 46 2HG LYS 46 8.914 -10.847 0.523
336 HG3 LYS 46 1HG LYS 46 8.122 -11.964 1.641
337 HD2 LYS 46 2HD LYS 46 9.754 -13.158 0.272
338 HD3 LYS 46 1HD LYS 46 8.122 -13.701 -0.100
339 HE2 LYS 46 2HE LYS 46 8.213 -11.996 -2.032
340 HE3 LYS 46 1HE LYS 46 9.953 -11.967 -1.740
341 HZ1 LYS 46 3HZ LYS 46 8.301 -14.325 -2.330
342 HZ2 LYS 46 1HZ LYS 46 9.983 -14.412 -2.165
343 HZ3 LYS 46 2HZ LYS 46 9.211 -13.590 -3.471
344 H GLY 47 H GLY 47 4.262 -12.088 1.179
345 HA2 GLY 47 2HA GLY 47 3.431 -13.453 2.803
346 HA3 GLY 47 1HA GLY 47 4.844 -13.067 3.815
347 H LYS 48 H LYS 48 3.254 -10.402 2.561
348 HA LYS 48 HA LYS 48 2.340 -9.618 5.184
349 HB2 LYS 48 2HB LYS 48 3.478 -8.260 3.306
350 HB3 LYS 48 1HB LYS 48 1.895 -8.173 2.595
351 HG2 LYS 48 2HG LYS 48 2.607 -7.110 5.353
352 HG3 LYS 48 1HG LYS 48 2.446 -6.128 3.911
353 HD2 LYS 48 2HD LYS 48 0.156 -7.774 4.994
354 HD3 LYS 48 1HD LYS 48 0.497 -6.163 5.601
355 HE2 LYS 48 2HE LYS 48 -1.265 -6.061 3.956
356 HE3 LYS 48 1HE LYS 48 0.151 -5.262 3.309
357 HZ1 LYS 48 3HZ LYS 48 -0.927 -6.627 1.636
358 HZ2 LYS 48 1HZ LYS 48 -0.825 -7.994 2.629
359 HZ3 LYS 48 2HZ LYS 48 0.573 -7.302 1.973
360 HA PRO 49 HA PRO 49 -1.695 -11.641 4.514
361 HB2 PRO 49 2HB PRO 49 -2.317 -9.588 6.611
362 HB3 PRO 49 1HB PRO 49 -2.774 -11.305 6.564
363 HG2 PRO 49 2HG PRO 49 -0.828 -10.555 8.134
364 HG3 PRO 49 1HG PRO 49 -0.678 -12.041 7.173
365 HD2 PRO 49 2HD PRO 49 0.638 -9.407 6.760
366 HD3 PRO 49 1HD PRO 49 1.244 -11.045 6.440
367 H CYS 50 H CYS 50 -2.942 -11.085 2.867
368 HA CYS 50 HA CYS 50 -3.704 -8.348 2.557
369 HB2 CYS 50 2HB CYS 50 -3.715 -9.204 0.052
370 HB3 CYS 50 1HB CYS 50 -2.264 -8.586 0.857
371 H THR 51 H THR 51 -5.444 -9.015 0.324
372 HA THR 51 HA THR 51 -7.846 -9.222 1.581
373 HB THR 51 HB THR 51 -8.659 -9.770 -0.761
374 HG1 THR 51 1HG THR 51 -7.213 -10.052 -2.312
375 HG21 THR 51 3HG2 THR 51 -7.926 -7.628 -1.644
376 HG22 THR 51 1HG2 THR 51 -6.614 -7.626 -0.471
377 HG23 THR 51 2HG2 THR 51 -8.292 -7.470 0.093
378 H VAL 52 H VAL 52 -6.287 -11.599 -0.316
379 HA VAL 52 HA VAL 52 -8.192 -13.562 0.606
380 HB VAL 52 HB VAL 52 -7.466 -14.957 -1.336
381 HG11 VAL 52 1HG1 VAL 52 -8.447 -12.130 -1.805
382 HG12 VAL 52 2HG1 VAL 52 -9.440 -13.551 -1.476
383 HG13 VAL 52 3HG1 VAL 52 -8.562 -13.421 -3.002
384 HG21 VAL 52 3HG2 VAL 52 -6.108 -14.027 -3.062
385 HG22 VAL 52 1HG2 VAL 52 -5.189 -13.880 -1.582
386 HG23 VAL 52 2HG2 VAL 52 -5.988 -12.460 -2.299
387 H GLY 53 H GLY 53 -4.744 -13.168 0.671
388 HA2 GLY 53 2HA GLY 53 -4.580 -15.003 2.818
389 HA3 GLY 53 1HA GLY 53 -3.929 -15.636 1.299
390 H PHE 54 H PHE 54 -1.880 -15.259 0.874
391 HA PHE 54 HA PHE 54 -0.580 -13.047 2.296
392 HB2 PHE 54 2HB PHE 54 0.622 -15.723 1.598
393 HB3 PHE 54 1HB PHE 54 1.539 -14.354 2.264
394 HD1 PHE 54 1HD PHE 54 1.013 -13.558 4.562
395 HD2 PHE 54 2HD PHE 54 -0.626 -17.156 2.994
396 HE1 PHE 54 1HE PHE 54 0.455 -14.289 6.842
397 HE2 PHE 54 2HE PHE 54 -1.189 -17.897 5.271
398 HZ PHE 54 HZ PHE 54 -0.651 -16.462 7.198
399 H CYS 55 H CYS 55 1.106 -12.063 1.222
400 HA CYS 55 HA CYS 55 0.588 -11.985 -1.670
401 HB2 CYS 55 2HB CYS 55 -0.008 -9.983 -0.496
402 HB3 CYS 55 1HB CYS 55 1.578 -9.941 0.271
403 H ASP 56 H ASP 56 2.293 -12.146 -3.073
404 HA ASP 56 HA ASP 56 4.863 -12.157 -1.713
405 HB2 ASP 56 2HB ASP 56 4.175 -14.442 -2.648
406 HB3 ASP 56 1HB ASP 56 4.384 -13.762 -4.257
407 H MET 57 H MET 57 6.611 -12.054 -4.065
408 HA MET 57 HA MET 57 6.804 -9.330 -4.220
409 HB2 MET 57 2HB MET 57 8.600 -10.904 -4.000
410 HB3 MET 57 1HB MET 57 8.176 -11.644 -5.532
411 HG2 MET 57 2HG MET 57 8.639 -9.680 -6.643
412 HG3 MET 57 1HG MET 57 9.021 -8.867 -5.101
413 HE1 MET 57 3HE MET 57 12.607 -9.265 -6.808
414 HE2 MET 57 1HE MET 57 11.465 -8.126 -6.093
415 HE3 MET 57 2HE MET 57 11.080 -8.920 -7.619
416 H ASN 58 H ASN 58 5.048 -11.535 -6.180
417 HA ASN 58 HA ASN 58 5.311 -9.982 -8.622
418 HB2 ASN 58 2HB ASN 58 4.857 -12.477 -8.629
419 HB3 ASN 58 1HB ASN 58 3.247 -12.132 -8.016
420 HD21 ASN 58 1HD2 ASN 58 5.360 -11.963 -10.773
421 HD22 ASN 58 2HD2 ASN 58 4.132 -11.627 -11.938
422 H GLY 59 H GLY 59 3.678 -9.616 -5.758
423 HA2 GLY 59 2HA GLY 59 2.300 -7.901 -5.111
424 HA3 GLY 59 1HA GLY 59 2.075 -7.463 -6.807
425 H LYS 60 H LYS 60 1.687 -10.677 -5.818
426 HA LYS 60 HA LYS 60 -1.244 -10.468 -6.033
427 HB2 LYS 60 2HB LYS 60 0.683 -12.484 -7.116
428 HB3 LYS 60 1HB LYS 60 -0.909 -13.015 -6.615
429 HG2 LYS 60 2HG LYS 60 -0.736 -12.555 -9.062
430 HG3 LYS 60 1HG LYS 60 -1.975 -11.599 -8.252
431 HD2 LYS 60 2HD LYS 60 -0.442 -9.704 -8.164
432 HD3 LYS 60 1HD LYS 60 0.796 -10.668 -8.957
433 HE2 LYS 60 2HE LYS 60 -0.514 -10.803 -10.955
434 HE3 LYS 60 1HE LYS 60 -1.886 -10.025 -10.158
435 HZ1 LYS 60 3HZ LYS 60 0.757 -8.745 -10.483
436 HZ2 LYS 60 1HZ LYS 60 -0.671 -8.084 -9.872
437 HZ3 LYS 60 2HZ LYS 60 -0.584 -8.456 -11.520
438 H CYS 61 H CYS 61 -2.359 -12.108 -4.956
439 HA CYS 61 HA CYS 61 -1.086 -12.746 -2.447
440 HB2 CYS 61 2HB CYS 61 -2.320 -10.643 -2.381
441 HB3 CYS 61 1HB CYS 61 -3.713 -11.520 -3.014
442 H GLU 62 H GLU 62 -1.665 -14.714 -1.851
443 HA GLU 62 HA GLU 62 -3.882 -16.038 -3.030
444 HB2 GLU 62 2HB GLU 62 -2.466 -17.961 -3.621
445 HB3 GLU 62 1HB GLU 62 -1.941 -16.407 -4.296
446 HG2 GLU 62 2HG GLU 62 -0.126 -16.242 -2.739
447 HG3 GLU 62 1HG GLU 62 -0.599 -17.764 -1.983
Start of MODEL 13
1 H PHE 1 1HT PHE 1 6.163 5.288 4.045
2 HA PHE 1 HA PHE 1 5.299 3.874 1.557
3 HB2 PHE 1 2HB PHE 1 4.175 3.593 4.349
4 HB3 PHE 1 1HB PHE 1 3.656 2.711 2.927
5 HD1 PHE 1 2HD PHE 1 5.053 0.920 2.007
6 HD2 PHE 1 1HD PHE 1 6.003 3.078 5.493
7 HE1 PHE 1 2HE PHE 1 6.665 -0.852 2.606
8 HE2 PHE 1 1HE PHE 1 7.664 1.299 6.163
9 HZ PHE 1 HZ PHE 1 7.975 -0.662 4.692
10 H CYS 2 H CYS 2 3.927 5.486 4.371
11 HA CYS 2 HA CYS 2 2.683 7.319 2.468
12 HB2 CYS 2 2HB CYS 2 1.251 5.999 4.771
13 HB3 CYS 2 1HB CYS 2 0.574 7.313 3.821
14 H GLU 3 H GLU 3 3.844 6.746 5.634
15 HA GLU 3 HA GLU 3 3.203 9.021 6.987
16 HB2 GLU 3 2HB GLU 3 5.101 8.416 8.444
17 HB3 GLU 3 1HB GLU 3 3.931 7.104 8.222
18 HG2 GLU 3 2HG GLU 3 6.817 7.394 7.398
19 HG3 GLU 3 1HG GLU 3 6.037 6.064 8.236
20 H ARG 4 H ARG 4 6.507 8.430 5.821
21 HA ARG 4 HA ARG 4 7.184 11.112 6.183
22 HB2 ARG 4 2HB ARG 4 9.386 10.565 5.531
23 HB3 ARG 4 1HB ARG 4 8.765 9.029 6.096
24 HG2 ARG 4 2HG ARG 4 9.827 8.365 4.154
25 HG3 ARG 4 1HG ARG 4 8.209 8.676 3.527
26 HD2 ARG 4 2HD ARG 4 9.284 11.145 3.241
27 HD3 ARG 4 1HD ARG 4 10.744 10.176 3.077
28 HE ARG 4 HE ARG 4 8.779 9.069 1.421
29 HH11 ARG 4 1HH1 ARG 4 10.786 12.019 1.472
30 HH12 ARG 4 2HH1 ARG 4 10.453 12.330 -0.195
31 HH21 ARG 4 1HH2 ARG 4 8.343 9.644 -0.732
32 HH22 ARG 4 2HH2 ARG 4 9.092 11.020 -1.441
33 H GLU 5 H GLU 5 5.610 9.477 3.705
34 HA GLU 5 HA GLU 5 6.654 10.745 1.392
35 HB2 GLU 5 2HB GLU 5 4.006 9.433 1.632
36 HB3 GLU 5 1HB GLU 5 5.049 9.516 0.215
37 HG2 GLU 5 2HG GLU 5 5.443 7.885 2.709
38 HG3 GLU 5 1HG GLU 5 4.935 7.294 1.146
39 H GLN 6 H GLN 6 3.409 10.847 2.923
40 HA GLN 6 HA GLN 6 2.933 13.520 1.736
41 HB2 GLN 6 2HB GLN 6 1.060 11.166 1.791
42 HB3 GLN 6 1HB GLN 6 0.719 12.744 1.102
43 HG2 GLN 6 2HG GLN 6 2.886 10.930 0.124
44 HG3 GLN 6 1HG GLN 6 1.220 10.888 -0.478
45 HE21 GLN 6 1HE2 GLN 6 4.164 12.852 -0.312
46 HE22 GLN 6 2HE2 GLN 6 3.698 13.941 -1.577
47 H GLN 7 H GLN 7 3.442 11.978 4.416
48 HA GLN 7 HA GLN 7 2.803 11.758 6.401
49 HB2 GLN 7 2HB GLN 7 1.390 14.380 5.911
50 HB3 GLN 7 1HB GLN 7 1.651 13.702 7.516
51 HG2 GLN 7 2HG GLN 7 4.056 13.735 7.138
52 HG3 GLN 7 1HG GLN 7 3.786 14.417 5.540
53 HE21 GLN 7 1HE2 GLN 7 3.682 15.002 8.950
54 HE22 GLN 7 2HE2 GLN 7 3.564 16.733 8.850
55 H LEU 8 H LEU 8 1.198 10.527 4.486
56 HA LEU 8 HA LEU 8 -1.558 10.428 5.474
57 HB2 LEU 8 2HB LEU 8 -0.113 9.166 3.166
58 HB3 LEU 8 1HB LEU 8 -1.739 8.725 3.670
59 HG LEU 8 HG LEU 8 -0.977 11.500 2.996
60 HD11 LEU 8 1HD1 LEU 8 -0.530 10.185 0.936
61 HD12 LEU 8 2HD1 LEU 8 -2.047 11.048 0.721
62 HD13 LEU 8 3HD1 LEU 8 -2.067 9.339 1.138
63 HD21 LEU 8 3HD2 LEU 8 -3.026 11.304 4.222
64 HD22 LEU 8 1HD2 LEU 8 -3.626 10.077 3.105
65 HD23 LEU 8 2HD2 LEU 8 -3.408 11.738 2.559
66 H GLU 9 H GLU 9 -2.409 8.646 5.883
67 HA GLU 9 HA GLU 9 -0.852 6.877 7.644
68 HB2 GLU 9 2HB GLU 9 -3.226 7.845 8.133
69 HB3 GLU 9 1HB GLU 9 -3.693 6.663 6.902
70 HG2 GLU 9 2HG GLU 9 -2.947 4.847 8.276
71 HG3 GLU 9 1HG GLU 9 -2.438 5.983 9.535
72 H SER 10 H SER 10 -0.787 4.596 7.147
73 HA SER 10 HA SER 10 -0.860 4.010 4.386
74 HB2 SER 10 2HB SER 10 0.181 2.027 5.169
75 HB3 SER 10 1HB SER 10 0.811 3.573 5.907
76 HG SER 10 HG SER 10 -1.174 2.354 7.346
77 H CYS 11 H CYS 11 -2.121 2.136 3.595
78 HA CYS 11 HA CYS 11 -3.965 0.871 5.382
79 HB2 CYS 11 2HB CYS 11 -6.039 1.686 4.444
80 HB3 CYS 11 1HB CYS 11 -5.048 3.126 4.462
81 H ALA 12 H ALA 12 -5.343 -0.711 3.829
82 HA ALA 12 HA ALA 12 -3.553 -1.577 1.688
83 HB1 ALA 12 1HB ALA 12 -4.157 -3.905 2.251
84 HB2 ALA 12 2HB ALA 12 -5.085 -3.320 3.634
85 HB3 ALA 12 3HB ALA 12 -3.335 -3.108 3.592
86 H CYS 13 H CYS 13 -4.587 -1.701 -0.235
87 HA CYS 13 HA CYS 13 -7.261 -0.927 -0.399
88 HB2 CYS 13 2HB CYS 13 -5.363 -2.058 -2.466
89 HB3 CYS 13 1HB CYS 13 -6.967 -1.472 -2.833
90 H ASN 14 H ASN 14 -9.080 -1.901 -0.660
91 HA ASN 14 HA ASN 14 -9.577 -4.461 0.342
92 HB2 ASN 14 2HB ASN 14 -11.197 -2.554 0.244
93 HB3 ASN 14 1HB ASN 14 -11.300 -2.815 -1.495
94 HD21 ASN 14 1HD2 ASN 14 -12.561 -4.543 -2.276
95 HD22 ASN 14 2HD2 ASN 14 -13.577 -5.465 -1.224
96 H GLU 15 H GLU 15 -8.717 -3.429 -2.804
97 HA GLU 15 HA GLU 15 -9.724 -5.622 -4.105
98 HB2 GLU 15 2HB GLU 15 -9.329 -3.353 -5.133
99 HB3 GLU 15 1HB GLU 15 -7.606 -3.674 -5.028
100 HG2 GLU 15 2HG GLU 15 -9.503 -5.345 -6.664
101 HG3 GLU 15 1HG GLU 15 -8.614 -3.960 -7.297
102 H THR 16 H THR 16 -8.436 -7.461 -4.764
103 HA THR 16 HA THR 16 -6.723 -8.491 -2.833
104 HB THR 16 HB THR 16 -7.342 -9.396 -5.624
105 HG1 THR 16 1HG THR 16 -9.094 -9.902 -4.597
106 HG21 THR 16 3HG2 THR 16 -5.908 -10.920 -3.420
107 HG22 THR 16 1HG2 THR 16 -5.151 -10.278 -4.882
108 HG23 THR 16 2HG2 THR 16 -6.363 -11.567 -4.998
109 H ASP 17 H ASP 17 -5.928 -7.302 -6.079
110 HA ASP 17 HA ASP 17 -3.254 -8.139 -5.738
111 HB2 ASP 17 2HB ASP 17 -4.297 -8.047 -7.938
112 HB3 ASP 17 1HB ASP 17 -4.507 -6.301 -7.698
113 H ASN 18 H ASN 18 -5.069 -5.122 -5.529
114 HA ASN 18 HA ASN 18 -2.751 -3.567 -5.146
115 HB2 ASN 18 2HB ASN 18 -5.660 -2.918 -5.113
116 HB3 ASN 18 1HB ASN 18 -4.468 -1.750 -4.555
117 HD21 ASN 18 1HD2 ASN 18 -5.515 -3.666 -7.317
118 HD22 ASN 18 2HD2 ASN 18 -4.754 -2.681 -8.507
119 H SER 19 H SER 19 -4.300 -5.582 -3.143
120 HA SER 19 HA SER 19 -4.006 -4.106 -0.733
121 HB2 SER 19 2HB SER 19 -4.146 -6.279 0.445
122 HB3 SER 19 1HB SER 19 -5.250 -6.343 -0.927
123 HG SER 19 HG SER 19 -3.873 -7.634 -1.982
124 H CYS 20 H CYS 20 -1.727 -5.491 -2.913
125 HA CYS 20 HA CYS 20 0.413 -5.688 -0.950
126 HB2 CYS 20 2HB CYS 20 0.356 -6.244 -3.879
127 HB3 CYS 20 1HB CYS 20 1.780 -6.483 -2.881
128 H LYS 21 H LYS 21 -0.796 -3.332 -2.910
129 HA LYS 21 HA LYS 21 1.740 -1.891 -2.780
130 HB2 LYS 21 2HB LYS 21 -0.622 -1.708 -4.642
131 HB3 LYS 21 1HB LYS 21 0.471 -0.352 -4.388
132 HG2 LYS 21 2HG LYS 21 1.214 -1.419 -6.366
133 HG3 LYS 21 1HG LYS 21 2.325 -1.865 -5.062
134 HD2 LYS 21 2HD LYS 21 1.994 -3.840 -6.337
135 HD3 LYS 21 1HD LYS 21 1.028 -4.030 -4.877
136 HE2 LYS 21 2HE LYS 21 -0.985 -3.445 -6.094
137 HE3 LYS 21 1HE LYS 21 -0.044 -3.106 -7.544
138 HZ1 LYS 21 3HZ LYS 21 -0.433 -5.796 -6.283
139 HZ2 LYS 21 1HZ LYS 21 0.595 -5.519 -7.581
140 HZ3 LYS 21 2HZ LYS 21 -1.036 -5.269 -7.717
141 H VAL 22 H VAL 22 1.941 -0.173 -2.189
142 HA VAL 22 HA VAL 22 0.723 0.100 0.291
143 HB VAL 22 HB VAL 22 2.551 1.907 -1.212
144 HG11 VAL 22 1HG1 VAL 22 1.732 1.885 1.696
145 HG12 VAL 22 2HG1 VAL 22 1.315 3.073 0.454
146 HG13 VAL 22 3HG1 VAL 22 2.995 2.928 0.991
147 HG21 VAL 22 3HG2 VAL 22 4.307 0.795 0.228
148 HG22 VAL 22 1HG2 VAL 22 3.447 -0.319 -0.849
149 HG23 VAL 22 2HG2 VAL 22 3.064 -0.273 0.853
150 H CYS 23 H CYS 23 -1.109 0.636 0.333
151 HA CYS 23 HA CYS 23 -2.090 2.994 -1.108
152 HB2 CYS 23 2HB CYS 23 -3.655 1.187 0.697
153 HB3 CYS 23 1HB CYS 23 -4.249 2.365 -0.491
154 H CYS 24 H CYS 24 -3.185 4.632 0.111
155 HA CYS 24 HA CYS 24 -2.146 4.936 2.792
156 HB2 CYS 24 2HB CYS 24 -2.396 6.986 0.580
157 HB3 CYS 24 1HB CYS 24 -2.007 7.360 2.252
158 H ARG 25 H ARG 25 -3.552 6.538 3.968
159 HA ARG 25 HA ARG 25 -6.283 5.895 3.177
160 HB2 ARG 25 2HB ARG 25 -5.090 4.856 5.289
161 HB3 ARG 25 1HB ARG 25 -5.375 6.449 5.948
162 HG2 ARG 25 2HG ARG 25 -7.643 5.161 4.699
163 HG3 ARG 25 1HG ARG 25 -7.087 4.445 6.224
164 HD2 ARG 25 2HD ARG 25 -7.867 7.340 5.708
165 HD3 ARG 25 1HD ARG 25 -8.836 6.157 6.595
166 HE ARG 25 HE ARG 25 -6.548 6.150 7.982
167 HH11 ARG 25 1HH1 ARG 25 -8.453 8.892 6.822
168 HH12 ARG 25 2HH1 ARG 25 -8.175 9.869 8.192
169 HH21 ARG 25 1HH2 ARG 25 -6.071 7.450 9.793
170 HH22 ARG 25 2HH2 ARG 25 -6.720 9.005 9.986
171 H ASP 26 H ASP 26 -7.514 7.595 2.793
172 HA ASP 26 HA ASP 26 -6.271 10.172 3.113
173 HB2 ASP 26 2HB ASP 26 -7.412 10.839 1.241
174 HB3 ASP 26 1HB ASP 26 -7.366 9.113 0.916
175 H LEU 27 H LEU 27 -8.194 11.696 3.111
176 HA LEU 27 HA LEU 27 -8.818 12.020 5.761
177 HB2 LEU 27 2HB LEU 27 -10.426 13.814 4.842
178 HB3 LEU 27 1HB LEU 27 -8.675 14.093 4.816
179 HG LEU 27 HG LEU 27 -10.124 12.983 2.420
180 HD11 LEU 27 1HD1 LEU 27 -11.410 14.978 3.125
181 HD12 LEU 27 2HD1 LEU 27 -10.508 15.300 1.643
182 HD13 LEU 27 3HD1 LEU 27 -9.915 15.913 3.186
183 HD21 LEU 27 3HD2 LEU 27 -7.747 14.834 2.710
184 HD22 LEU 27 1HD2 LEU 27 -8.381 14.200 1.196
185 HD23 LEU 27 2HD2 LEU 27 -7.653 13.108 2.372
186 H SER 28 H SER 28 -10.777 10.998 3.066
187 HA SER 28 HA SER 28 -13.156 10.936 4.596
188 HB2 SER 28 2HB SER 28 -12.512 10.078 1.803
189 HB3 SER 28 1HB SER 28 -14.162 10.180 2.457
190 HG SER 28 HG SER 28 -12.874 12.439 2.946
191 H GLY 29 H GLY 29 -10.517 9.112 4.434
192 HA2 GLY 29 2HA GLY 29 -10.003 7.315 5.347
193 HA3 GLY 29 1HA GLY 29 -11.685 6.941 5.772
194 H ARG 30 H ARG 30 -10.489 7.471 2.484
195 HA ARG 30 HA ARG 30 -11.236 4.744 1.808
196 HB2 ARG 30 2HB ARG 30 -10.528 7.132 0.118
197 HB3 ARG 30 1HB ARG 30 -11.167 5.599 -0.461
198 HG2 ARG 30 2HG ARG 30 -13.278 6.007 0.417
199 HG3 ARG 30 1HG ARG 30 -12.677 7.250 1.518
200 HD2 ARG 30 2HD ARG 30 -12.689 7.464 -1.472
201 HD3 ARG 30 1HD ARG 30 -13.916 8.162 -0.398
202 HE ARG 30 HE ARG 30 -11.318 8.985 0.368
203 HH11 ARG 30 1HH1 ARG 30 -13.692 9.586 -2.178
204 HH12 ARG 30 2HH1 ARG 30 -13.284 11.231 -2.388
205 HH21 ARG 30 1HH2 ARG 30 -10.784 11.199 0.138
206 HH22 ARG 30 2HH2 ARG 30 -11.542 12.206 -1.008
207 H CYS 31 H CYS 31 -9.790 3.658 0.298
208 HA CYS 31 HA CYS 31 -7.026 4.120 0.977
209 HB2 CYS 31 2HB CYS 31 -8.506 1.755 -0.059
210 HB3 CYS 31 1HB CYS 31 -6.774 1.893 -0.364
211 H VAL 32 H VAL 32 -5.836 5.232 -0.212
212 HA VAL 32 HA VAL 32 -6.345 5.225 -2.972
213 HB VAL 32 HB VAL 32 -6.895 7.424 -2.268
214 HG11 VAL 32 1HG1 VAL 32 -6.091 7.599 -0.062
215 HG12 VAL 32 2HG1 VAL 32 -5.216 8.851 -0.941
216 HG13 VAL 32 3HG1 VAL 32 -4.433 7.306 -0.569
217 HG21 VAL 32 3HG2 VAL 32 -5.237 8.874 -3.343
218 HG22 VAL 32 1HG2 VAL 32 -5.499 7.396 -4.273
219 HG23 VAL 32 2HG2 VAL 32 -4.053 7.565 -3.280
220 HA PRO 33 HA PRO 33 -2.335 3.116 -3.046
221 HB2 PRO 33 2HB PRO 33 -2.336 4.191 -5.830
222 HB3 PRO 33 1HB PRO 33 -2.082 2.523 -5.275
223 HG2 PRO 33 2HG PRO 33 -4.353 3.178 -6.403
224 HG3 PRO 33 1HG PRO 33 -4.323 2.106 -4.989
225 HD2 PRO 33 2HD PRO 33 -5.105 4.987 -5.129
226 HD3 PRO 33 1HD PRO 33 -5.778 3.660 -4.157
227 H TYR 34 H TYR 34 -0.386 3.905 -2.356
228 HA TYR 34 HA TYR 34 0.126 6.619 -2.287
229 HB2 TYR 34 2HB TYR 34 1.172 5.728 -0.645
230 HB3 TYR 34 1HB TYR 34 1.483 4.170 -1.425
231 HD1 TYR 34 1HD TYR 34 2.740 7.857 -1.688
232 HD2 TYR 34 2HD TYR 34 3.853 3.641 -1.572
233 HE1 TYR 34 1HE TYR 34 4.899 8.398 -1.770
234 HE2 TYR 34 2HE TYR 34 6.148 4.366 -1.639
235 HH TYR 34 HH TYR 34 7.158 7.448 -1.090
236 H VAL 35 H VAL 35 0.943 7.995 -3.553
237 HA VAL 35 HA VAL 35 3.187 7.363 -5.133
238 HB VAL 35 HB VAL 35 1.617 9.405 -6.241
239 HG11 VAL 35 1HG1 VAL 35 2.741 6.964 -7.503
240 HG12 VAL 35 2HG1 VAL 35 3.487 8.543 -7.243
241 HG13 VAL 35 3HG1 VAL 35 2.137 8.390 -8.377
242 HG21 VAL 35 3HG2 VAL 35 -0.209 8.194 -7.390
243 HG22 VAL 35 1HG2 VAL 35 -0.330 8.092 -5.625
244 HG23 VAL 35 2HG2 VAL 35 0.280 6.710 -6.542
245 H ASP 36 H ASP 36 4.522 9.010 -4.678
246 HA ASP 36 HA ASP 36 3.373 11.383 -3.280
247 HB2 ASP 36 2HB ASP 36 5.614 11.655 -2.493
248 HB3 ASP 36 1HB ASP 36 4.966 10.074 -2.061
249 H ALA 37 H ALA 37 5.058 12.897 -3.456
250 HA ALA 37 HA ALA 37 3.723 13.966 -5.501
251 HB1 ALA 37 1HB ALA 37 4.191 14.887 -3.490
252 HB2 ALA 37 2HB ALA 37 4.759 16.041 -4.760
253 HB3 ALA 37 3HB ALA 37 5.913 15.002 -3.832
254 H GLU 38 H GLU 38 6.596 12.337 -5.107
255 HA GLU 38 HA GLU 38 8.118 13.238 -7.192
256 HB2 GLU 38 2HB GLU 38 8.130 11.010 -5.263
257 HB3 GLU 38 1HB GLU 38 9.466 11.211 -6.415
258 HG2 GLU 38 2HG GLU 38 10.084 13.294 -5.357
259 HG3 GLU 38 1HG GLU 38 8.604 13.302 -4.398
260 H GLN 39 H GLN 39 5.163 11.294 -6.920
261 HA GLN 39 HA GLN 39 4.061 10.076 -8.049
262 HB2 GLN 39 2HB GLN 39 6.070 10.952 -9.898
263 HB3 GLN 39 1HB GLN 39 4.792 9.856 -10.535
264 HG2 GLN 39 2HG GLN 39 3.178 11.577 -9.650
265 HG3 GLN 39 1HG GLN 39 4.569 12.584 -9.263
266 HE21 GLN 39 1HE2 GLN 39 2.623 11.246 -11.802
267 HE22 GLN 39 2HE2 GLN 39 3.227 12.275 -13.065
268 H LYS 40 H LYS 40 6.114 8.963 -6.403
269 HA LYS 40 HA LYS 40 6.766 6.577 -7.922
270 HB2 LYS 40 2HB LYS 40 8.600 6.377 -6.758
271 HB3 LYS 40 1HB LYS 40 8.174 8.106 -6.347
272 HG2 LYS 40 2HG LYS 40 7.500 7.545 -4.202
273 HG3 LYS 40 1HG LYS 40 7.391 5.825 -4.579
274 HD2 LYS 40 2HD LYS 40 9.341 6.235 -3.190
275 HD3 LYS 40 1HD LYS 40 9.852 5.743 -4.802
276 HE2 LYS 40 2HE LYS 40 11.257 7.540 -4.110
277 HE3 LYS 40 1HE LYS 40 10.172 8.170 -5.343
278 HZ1 LYS 40 3HZ LYS 40 9.959 8.583 -2.410
279 HZ2 LYS 40 1HZ LYS 40 8.777 9.070 -3.495
280 HZ3 LYS 40 2HZ LYS 40 10.298 9.733 -3.593
281 H ASN 41 H ASN 41 6.437 4.562 -7.062
282 HA ASN 41 HA ASN 41 4.498 4.382 -4.939
283 HB2 ASN 41 2HB ASN 41 3.483 4.193 -7.275
284 HB3 ASN 41 1HB ASN 41 4.678 2.885 -7.411
285 HD21 ASN 41 1HD2 ASN 41 1.779 3.766 -5.570
286 HD22 ASN 41 2HD2 ASN 41 1.242 2.143 -5.317
287 H LEU 42 H LEU 42 4.533 1.882 -4.474
288 HA LEU 42 HA LEU 42 6.611 0.266 -5.097
289 HB2 LEU 42 2HB LEU 42 7.974 0.380 -3.043
290 HB3 LEU 42 1HB LEU 42 7.771 1.752 -4.165
291 HG LEU 42 HG LEU 42 6.555 3.013 -2.713
292 HD11 LEU 42 1HD1 LEU 42 5.191 1.564 -1.527
293 HD12 LEU 42 2HD1 LEU 42 6.155 2.409 -0.325
294 HD13 LEU 42 3HD1 LEU 42 6.553 0.738 -0.764
295 HD21 LEU 42 3HD2 LEU 42 8.917 3.262 -2.471
296 HD22 LEU 42 1HD2 LEU 42 8.978 1.958 -1.285
297 HD23 LEU 42 2HD2 LEU 42 8.158 3.468 -0.891
298 H PHE 43 H PHE 43 6.892 -1.513 -3.353
299 HA PHE 43 HA PHE 43 4.313 -2.566 -3.082
300 HB2 PHE 43 2HB PHE 43 5.579 -3.854 -4.515
301 HB3 PHE 43 1HB PHE 43 7.048 -3.598 -3.603
302 HD1 PHE 43 2HD PHE 43 3.715 -5.225 -3.019
303 HD2 PHE 43 1HD PHE 43 7.952 -5.492 -2.736
304 HE1 PHE 43 2HE PHE 43 3.519 -7.492 -2.071
305 HE2 PHE 43 1HE PHE 43 7.758 -7.752 -1.799
306 HZ PHE 43 HZ PHE 43 5.537 -8.752 -1.465
307 H LEU 44 H LEU 44 3.582 -3.457 -1.068
308 HA LEU 44 HA LEU 44 4.667 -2.669 1.246
309 HB2 LEU 44 2HB LEU 44 2.503 -4.580 0.527
310 HB3 LEU 44 1HB LEU 44 3.015 -4.482 2.195
311 HG LEU 44 HG LEU 44 1.982 -2.124 0.598
312 HD11 LEU 44 1HD1 LEU 44 0.612 -3.846 2.660
313 HD12 LEU 44 2HD1 LEU 44 0.243 -3.813 0.934
314 HD13 LEU 44 3HD1 LEU 44 -0.048 -2.386 1.926
315 HD21 LEU 44 3HD2 LEU 44 3.489 -1.524 2.457
316 HD22 LEU 44 1HD2 LEU 44 2.502 -2.493 3.549
317 HD23 LEU 44 2HD2 LEU 44 1.824 -1.056 2.788
318 H ARG 45 H ARG 45 4.768 -4.734 3.017
319 HA ARG 45 HA ARG 45 7.117 -6.170 2.475
320 HB2 ARG 45 2HB ARG 45 5.622 -5.636 4.691
321 HB3 ARG 45 1HB ARG 45 5.345 -7.362 4.354
322 HG2 ARG 45 2HG ARG 45 7.804 -7.744 4.314
323 HG3 ARG 45 1HG ARG 45 8.006 -6.117 4.962
324 HD2 ARG 45 2HD ARG 45 8.062 -7.705 6.779
325 HD3 ARG 45 1HD ARG 45 6.581 -6.752 6.890
326 HE ARG 45 HE ARG 45 6.150 -9.170 5.427
327 HH11 ARG 45 1HH1 ARG 45 6.472 -7.998 8.752
328 HH12 ARG 45 2HH1 ARG 45 5.581 -9.275 9.436
329 HH21 ARG 45 1HH2 ARG 45 4.941 -10.902 6.329
330 HH22 ARG 45 2HH2 ARG 45 4.662 -11.002 7.987
331 H LYS 46 H LYS 46 7.064 -8.579 2.940
332 HA LYS 46 HA LYS 46 5.222 -9.956 1.104
333 HB2 LYS 46 2HB LYS 46 6.966 -11.700 0.918
334 HB3 LYS 46 1HB LYS 46 7.627 -10.127 0.497
335 HG2 LYS 46 2HG LYS 46 8.554 -9.982 2.818
336 HG3 LYS 46 1HG LYS 46 8.015 -11.632 3.079
337 HD2 LYS 46 2HD LYS 46 9.987 -10.787 0.939
338 HD3 LYS 46 1HD LYS 46 10.450 -11.389 2.520
339 HE2 LYS 46 2HE LYS 46 10.679 -13.217 1.025
340 HE3 LYS 46 1HE LYS 46 9.198 -13.525 1.920
341 HZ1 LYS 46 3HZ LYS 46 7.898 -13.064 0.065
342 HZ2 LYS 46 1HZ LYS 46 9.141 -13.909 -0.568
343 HZ3 LYS 46 2HZ LYS 46 9.096 -12.238 -0.767
344 H GLY 47 H GLY 47 4.238 -11.894 1.786
345 HA2 GLY 47 2HA GLY 47 3.207 -13.331 3.221
346 HA3 GLY 47 1HA GLY 47 4.608 -13.159 4.307
347 H LYS 48 H LYS 48 2.614 -10.609 3.133
348 HA LYS 48 HA LYS 48 1.693 -10.129 5.824
349 HB2 LYS 48 2HB LYS 48 2.280 -7.988 5.303
350 HB3 LYS 48 1HB LYS 48 2.637 -8.548 3.676
351 HG2 LYS 48 2HG LYS 48 -0.154 -7.745 4.465
352 HG3 LYS 48 1HG LYS 48 1.036 -6.546 3.960
353 HD2 LYS 48 2HD LYS 48 1.283 -7.633 1.817
354 HD3 LYS 48 1HD LYS 48 0.249 -8.961 2.336
355 HE2 LYS 48 2HE LYS 48 -1.611 -7.367 2.568
356 HE3 LYS 48 1HE LYS 48 -0.563 -6.090 1.948
357 HZ1 LYS 48 3HZ LYS 48 -1.368 -8.552 0.477
358 HZ2 LYS 48 1HZ LYS 48 -0.327 -7.369 -0.117
359 HZ3 LYS 48 2HZ LYS 48 -1.932 -7.006 0.196
360 HA PRO 49 HA PRO 49 -2.332 -11.728 4.779
361 HB2 PRO 49 2HB PRO 49 -3.463 -9.638 6.544
362 HB3 PRO 49 1HB PRO 49 -3.578 -11.403 6.688
363 HG2 PRO 49 2HG PRO 49 -2.076 -10.025 8.362
364 HG3 PRO 49 1HG PRO 49 -1.564 -11.612 7.752
365 HD2 PRO 49 2HD PRO 49 -0.633 -8.902 6.917
366 HD3 PRO 49 1HD PRO 49 0.285 -10.403 7.169
367 H CYS 50 H CYS 50 -3.553 -11.327 3.103
368 HA CYS 50 HA CYS 50 -4.040 -8.591 2.291
369 HB2 CYS 50 2HB CYS 50 -4.421 -11.007 0.556
370 HB3 CYS 50 1HB CYS 50 -4.229 -9.303 0.137
371 H THR 51 H THR 51 -6.017 -9.317 0.424
372 HA THR 51 HA THR 51 -8.437 -9.413 1.718
373 HB THR 51 HB THR 51 -9.103 -9.712 -0.747
374 HG1 THR 51 1HG THR 51 -7.597 -10.067 -2.166
375 HG21 THR 51 3HG2 THR 51 -8.560 -7.446 0.334
376 HG22 THR 51 1HG2 THR 51 -8.256 -7.541 -1.417
377 HG23 THR 51 2HG2 THR 51 -6.922 -7.701 -0.317
378 H VAL 52 H VAL 52 -6.655 -11.610 -0.267
379 HA VAL 52 HA VAL 52 -8.476 -13.838 0.274
380 HB VAL 52 HB VAL 52 -7.624 -14.833 -1.777
381 HG11 VAL 52 1HG1 VAL 52 -9.529 -13.388 -1.949
382 HG12 VAL 52 2HG1 VAL 52 -8.481 -13.026 -3.328
383 HG13 VAL 52 3HG1 VAL 52 -8.518 -11.951 -1.926
384 HG21 VAL 52 3HG2 VAL 52 -5.292 -13.937 -1.690
385 HG22 VAL 52 1HG2 VAL 52 -5.906 -12.329 -2.052
386 HG23 VAL 52 2HG2 VAL 52 -6.052 -13.601 -3.242
387 H GLY 53 H GLY 53 -5.295 -12.964 1.164
388 HA2 GLY 53 2HA GLY 53 -4.769 -15.209 2.585
389 HA3 GLY 53 1HA GLY 53 -4.090 -15.474 0.964
390 H PHE 54 H PHE 54 -2.002 -15.072 0.921
391 HA PHE 54 HA PHE 54 -1.008 -12.783 2.471
392 HB2 PHE 54 2HB PHE 54 0.422 -15.386 1.895
393 HB3 PHE 54 1HB PHE 54 1.230 -13.981 2.592
394 HD1 PHE 54 1HD PHE 54 0.443 -13.136 4.822
395 HD2 PHE 54 2HD PHE 54 -0.778 -16.889 3.234
396 HE1 PHE 54 1HE PHE 54 -0.218 -13.866 7.073
397 HE2 PHE 54 2HE PHE 54 -1.443 -17.628 5.484
398 HZ PHE 54 HZ PHE 54 -1.164 -16.117 7.407
399 H CYS 55 H CYS 55 0.851 -11.816 1.560
400 HA CYS 55 HA CYS 55 0.662 -11.730 -1.400
401 HB2 CYS 55 2HB CYS 55 0.056 -9.702 -0.172
402 HB3 CYS 55 1HB CYS 55 1.651 -9.737 0.578
403 H ASP 56 H ASP 56 2.594 -11.963 -2.597
404 HA ASP 56 HA ASP 56 4.937 -11.809 -0.887
405 HB2 ASP 56 2HB ASP 56 4.242 -14.199 -1.545
406 HB3 ASP 56 1HB ASP 56 4.936 -13.800 -3.120
407 H MET 57 H MET 57 6.867 -12.303 -3.006
408 HA MET 57 HA MET 57 7.558 -9.666 -3.469
409 HB2 MET 57 2HB MET 57 8.456 -12.058 -5.025
410 HB3 MET 57 1HB MET 57 9.295 -10.513 -4.971
411 HG2 MET 57 2HG MET 57 8.944 -12.545 -2.781
412 HG3 MET 57 1HG MET 57 10.436 -12.070 -3.576
413 HE1 MET 57 3HE MET 57 10.903 -8.405 -2.143
414 HE2 MET 57 1HE MET 57 10.043 -8.839 -3.620
415 HE3 MET 57 2HE MET 57 11.570 -9.628 -3.225
416 H ASN 58 H ASN 58 5.426 -11.534 -5.370
417 HA ASN 58 HA ASN 58 5.840 -10.178 -7.880
418 HB2 ASN 58 2HB ASN 58 4.804 -12.487 -7.599
419 HB3 ASN 58 1HB ASN 58 3.362 -11.686 -6.994
420 HD21 ASN 58 1HD2 ASN 58 2.060 -10.478 -8.495
421 HD22 ASN 58 2HD2 ASN 58 2.260 -10.702 -10.193
422 H GLY 59 H GLY 59 4.288 -9.384 -4.957
423 HA2 GLY 59 2HA GLY 59 3.135 -7.435 -4.377
424 HA3 GLY 59 1HA GLY 59 3.167 -6.970 -6.083
425 H LYS 60 H LYS 60 2.095 -9.993 -4.785
426 HA LYS 60 HA LYS 60 -0.796 -9.537 -5.204
427 HB2 LYS 60 2HB LYS 60 0.470 -10.321 -7.434
428 HB3 LYS 60 1HB LYS 60 0.644 -11.757 -6.397
429 HG2 LYS 60 2HG LYS 60 -1.750 -11.997 -6.211
430 HG3 LYS 60 1HG LYS 60 -2.004 -10.547 -7.178
431 HD2 LYS 60 2HD LYS 60 -1.040 -11.633 -9.113
432 HD3 LYS 60 1HD LYS 60 -0.631 -13.052 -8.144
433 HE2 LYS 60 2HE LYS 60 -3.421 -12.031 -8.689
434 HE3 LYS 60 1HE LYS 60 -2.665 -13.426 -9.459
435 HZ1 LYS 60 3HZ LYS 60 -3.280 -13.226 -6.518
436 HZ2 LYS 60 1HZ LYS 60 -2.488 -14.464 -7.242
437 HZ3 LYS 60 2HZ LYS 60 -4.049 -14.241 -7.603
438 H CYS 61 H CYS 61 -1.897 -11.133 -4.589
439 HA CYS 61 HA CYS 61 -0.792 -12.644 -2.369
440 HB2 CYS 61 2HB CYS 61 -3.256 -11.234 -3.060
441 HB3 CYS 61 1HB CYS 61 -3.192 -12.219 -1.536
442 H GLU 62 H GLU 62 -1.157 -14.861 -2.635
443 HA GLU 62 HA GLU 62 -1.126 -16.539 -4.144
444 HB2 GLU 62 2HB GLU 62 -3.729 -16.077 -2.871
445 HB3 GLU 62 1HB GLU 62 -3.573 -17.505 -3.916
446 HG2 GLU 62 2HG GLU 62 -3.148 -18.171 -1.626
447 HG3 GLU 62 1HG GLU 62 -1.623 -18.162 -2.512
Start of MODEL 14
1 H PHE 1 1HT PHE 1 7.529 5.947 4.032
2 HA PHE 1 HA PHE 1 6.091 4.804 2.534
3 HB2 PHE 1 2HB PHE 1 4.875 3.628 5.080
4 HB3 PHE 1 1HB PHE 1 4.127 3.573 3.486
5 HD1 PHE 1 2HD PHE 1 4.868 2.305 1.868
6 HD2 PHE 1 1HD PHE 1 6.783 2.194 5.578
7 HE1 PHE 1 2HE PHE 1 5.973 0.117 1.206
8 HE2 PHE 1 1HE PHE 1 7.898 0.063 5.012
9 HZ PHE 1 HZ PHE 1 7.487 -0.980 2.813
10 H CYS 2 H CYS 2 3.372 5.095 3.115
11 HA CYS 2 HA CYS 2 3.132 7.795 2.747
12 HB2 CYS 2 2HB CYS 2 1.210 5.713 3.250
13 HB3 CYS 2 1HB CYS 2 0.670 7.282 3.845
14 H GLU 3 H GLU 3 3.344 6.352 5.930
15 HA GLU 3 HA GLU 3 2.294 8.522 7.270
16 HB2 GLU 3 2HB GLU 3 3.995 7.624 9.170
17 HB3 GLU 3 1HB GLU 3 2.433 6.912 8.844
18 HG2 GLU 3 2HG GLU 3 4.206 5.236 9.175
19 HG3 GLU 3 1HG GLU 3 3.465 5.117 7.590
20 H ARG 4 H ARG 4 5.843 7.935 7.155
21 HA ARG 4 HA ARG 4 6.275 10.568 7.802
22 HB2 ARG 4 2HB ARG 4 8.621 10.184 7.424
23 HB3 ARG 4 1HB ARG 4 7.922 8.747 8.168
24 HG2 ARG 4 2HG ARG 4 8.089 7.498 6.263
25 HG3 ARG 4 1HG ARG 4 8.082 8.909 5.215
26 HD2 ARG 4 2HD ARG 4 10.386 9.371 6.467
27 HD3 ARG 4 1HD ARG 4 10.338 7.607 6.634
28 HE ARG 4 HE ARG 4 9.612 7.960 4.106
29 HH11 ARG 4 1HH1 ARG 4 12.537 8.873 5.834
30 HH12 ARG 4 2HH1 ARG 4 13.431 9.276 4.427
31 HH21 ARG 4 1HH2 ARG 4 10.670 8.590 2.262
32 HH22 ARG 4 2HH2 ARG 4 12.302 9.096 2.218
33 H GLU 5 H GLU 5 5.736 9.085 4.555
34 HA GLU 5 HA GLU 5 7.223 11.082 3.172
35 HB2 GLU 5 2HB GLU 5 4.980 9.491 2.042
36 HB3 GLU 5 1HB GLU 5 6.279 10.220 1.106
37 HG2 GLU 5 2HG GLU 5 6.088 7.639 2.624
38 HG3 GLU 5 1HG GLU 5 6.560 7.901 0.970
39 H GLN 6 H GLN 6 3.669 10.646 3.871
40 HA GLN 6 HA GLN 6 3.164 13.247 2.524
41 HB2 GLN 6 2HB GLN 6 1.461 10.763 2.506
42 HB3 GLN 6 1HB GLN 6 1.056 12.296 1.762
43 HG2 GLN 6 2HG GLN 6 3.421 10.659 1.051
44 HG3 GLN 6 1HG GLN 6 1.837 10.511 0.249
45 HE21 GLN 6 1HE2 GLN 6 1.156 12.164 -1.095
46 HE22 GLN 6 2HE2 GLN 6 2.211 13.423 -1.646
47 H GLN 7 H GLN 7 3.196 11.626 5.338
48 HA GLN 7 HA GLN 7 2.213 11.516 7.156
49 HB2 GLN 7 2HB GLN 7 1.037 14.182 6.353
50 HB3 GLN 7 1HB GLN 7 0.815 13.523 7.970
51 HG2 GLN 7 2HG GLN 7 3.511 13.786 6.769
52 HG3 GLN 7 1HG GLN 7 2.754 15.183 7.560
53 HE21 GLN 7 1HE2 GLN 7 4.153 12.001 8.012
54 HE22 GLN 7 2HE2 GLN 7 4.287 12.127 9.729
55 H LEU 8 H LEU 8 0.993 10.339 4.934
56 HA LEU 8 HA LEU 8 -1.918 10.210 5.394
57 HB2 LEU 8 2HB LEU 8 -0.088 9.135 3.295
58 HB3 LEU 8 1HB LEU 8 -1.717 8.534 3.524
59 HG LEU 8 HG LEU 8 -1.075 11.378 3.050
60 HD11 LEU 8 1HD1 LEU 8 -1.820 10.864 0.645
61 HD12 LEU 8 2HD1 LEU 8 -1.748 9.145 1.082
62 HD13 LEU 8 3HD1 LEU 8 -0.282 10.126 1.090
63 HD21 LEU 8 3HD2 LEU 8 -3.620 9.793 2.777
64 HD22 LEU 8 1HD2 LEU 8 -3.441 11.484 2.313
65 HD23 LEU 8 2HD2 LEU 8 -3.252 11.012 3.998
66 H GLU 9 H GLU 9 -2.831 8.639 5.885
67 HA GLU 9 HA GLU 9 -1.563 6.680 7.625
68 HB2 GLU 9 2HB GLU 9 -4.004 7.705 7.744
69 HB3 GLU 9 1HB GLU 9 -4.228 6.478 6.480
70 HG2 GLU 9 2HG GLU 9 -3.726 4.706 7.970
71 HG3 GLU 9 1HG GLU 9 -3.376 5.847 9.275
72 H SER 10 H SER 10 -1.255 4.539 6.976
73 HA SER 10 HA SER 10 -1.334 4.019 4.186
74 HB2 SER 10 2HB SER 10 -0.010 2.178 4.851
75 HB3 SER 10 1HB SER 10 0.435 3.752 5.647
76 HG SER 10 HG SER 10 -1.319 2.216 7.087
77 H CYS 11 H CYS 11 -2.397 2.123 3.405
78 HA CYS 11 HA CYS 11 -4.206 0.736 5.162
79 HB2 CYS 11 2HB CYS 11 -6.289 1.367 4.081
80 HB3 CYS 11 1HB CYS 11 -5.470 2.896 4.325
81 H ALA 12 H ALA 12 -5.439 -0.924 3.668
82 HA ALA 12 HA ALA 12 -3.651 -1.677 1.487
83 HB1 ALA 12 1HB ALA 12 -3.426 -3.249 3.364
84 HB2 ALA 12 2HB ALA 12 -4.238 -4.025 2.003
85 HB3 ALA 12 3HB ALA 12 -5.176 -3.474 3.391
86 H CYS 13 H CYS 13 -4.698 -1.774 -0.461
87 HA CYS 13 HA CYS 13 -7.371 -1.008 -0.674
88 HB2 CYS 13 2HB CYS 13 -5.475 -2.330 -2.636
89 HB3 CYS 13 1HB CYS 13 -7.013 -1.615 -3.054
90 H ASN 14 H ASN 14 -9.183 -2.000 -0.605
91 HA ASN 14 HA ASN 14 -9.552 -4.506 0.532
92 HB2 ASN 14 2HB ASN 14 -11.257 -2.700 0.467
93 HB3 ASN 14 1HB ASN 14 -11.489 -3.015 -1.248
94 HD21 ASN 14 1HD2 ASN 14 -12.722 -4.835 -1.876
95 HD22 ASN 14 2HD2 ASN 14 -13.608 -5.759 -0.712
96 H GLU 15 H GLU 15 -9.067 -3.700 -2.758
97 HA GLU 15 HA GLU 15 -10.033 -6.064 -3.776
98 HB2 GLU 15 2HB GLU 15 -9.840 -3.875 -5.032
99 HB3 GLU 15 1HB GLU 15 -8.100 -4.115 -5.020
100 HG2 GLU 15 2HG GLU 15 -9.985 -6.029 -6.361
101 HG3 GLU 15 1HG GLU 15 -9.258 -4.643 -7.174
102 H THR 16 H THR 16 -8.762 -8.009 -4.077
103 HA THR 16 HA THR 16 -6.710 -8.544 -2.322
104 HB THR 16 HB THR 16 -7.493 -10.022 -4.825
105 HG1 THR 16 1HG THR 16 -8.372 -9.910 -2.174
106 HG21 THR 16 3HG2 THR 16 -5.922 -11.093 -2.428
107 HG22 THR 16 1HG2 THR 16 -5.208 -10.558 -3.974
108 HG23 THR 16 2HG2 THR 16 -6.326 -11.927 -3.926
109 H ASP 17 H ASP 17 -6.406 -7.924 -5.832
110 HA ASP 17 HA ASP 17 -3.698 -8.606 -5.746
111 HB2 ASP 17 2HB ASP 17 -5.106 -8.658 -7.811
112 HB3 ASP 17 1HB ASP 17 -5.114 -6.890 -7.712
113 H ASN 18 H ASN 18 -5.570 -5.618 -5.479
114 HA ASN 18 HA ASN 18 -3.246 -4.024 -5.479
115 HB2 ASN 18 2HB ASN 18 -6.124 -3.329 -5.206
116 HB3 ASN 18 1HB ASN 18 -4.879 -2.155 -4.803
117 HD21 ASN 18 1HD2 ASN 18 -6.190 -4.154 -7.386
118 HD22 ASN 18 2HD2 ASN 18 -5.550 -3.230 -8.685
119 H SER 19 H SER 19 -4.568 -5.875 -3.200
120 HA SER 19 HA SER 19 -3.772 -4.099 -1.084
121 HB2 SER 19 2HB SER 19 -4.134 -5.973 0.530
122 HB3 SER 19 1HB SER 19 -5.511 -5.643 -0.517
123 HG SER 19 HG SER 19 -4.263 -7.508 -1.798
124 H CYS 20 H CYS 20 -2.117 -5.664 -3.263
125 HA CYS 20 HA CYS 20 0.217 -5.968 -1.597
126 HB2 CYS 20 2HB CYS 20 -0.583 -7.040 -4.225
127 HB3 CYS 20 1HB CYS 20 1.145 -6.857 -3.875
128 H LYS 21 H LYS 21 -1.050 -3.342 -2.647
129 HA LYS 21 HA LYS 21 1.585 -2.126 -3.200
130 HB2 LYS 21 2HB LYS 21 -1.108 -1.375 -4.153
131 HB3 LYS 21 1HB LYS 21 0.335 -0.377 -4.395
132 HG2 LYS 21 2HG LYS 21 0.086 -1.264 -6.514
133 HG3 LYS 21 1HG LYS 21 1.017 -2.580 -5.799
134 HD2 LYS 21 2HD LYS 21 -1.025 -3.782 -5.294
135 HD3 LYS 21 1HD LYS 21 -1.980 -2.436 -5.915
136 HE2 LYS 21 2HE LYS 21 -0.933 -2.790 -8.135
137 HE3 LYS 21 1HE LYS 21 -0.133 -4.226 -7.485
138 HZ1 LYS 21 3HZ LYS 21 -2.179 -5.030 -8.488
139 HZ2 LYS 21 1HZ LYS 21 -3.069 -3.798 -7.745
140 HZ3 LYS 21 2HZ LYS 21 -2.357 -5.054 -6.887
141 H VAL 22 H VAL 22 1.823 -0.263 -2.596
142 HA VAL 22 HA VAL 22 0.918 -0.173 0.072
143 HB VAL 22 HB VAL 22 2.749 1.666 -1.469
144 HG11 VAL 22 1HG1 VAL 22 1.683 2.792 0.239
145 HG12 VAL 22 2HG1 VAL 22 3.334 2.482 0.839
146 HG13 VAL 22 3HG1 VAL 22 1.943 1.519 1.411
147 HG21 VAL 22 3HG2 VAL 22 3.365 -0.532 0.538
148 HG22 VAL 22 1HG2 VAL 22 4.532 0.386 -0.399
149 HG23 VAL 22 2HG2 VAL 22 3.448 -0.816 -1.172
150 H CYS 23 H CYS 23 -0.960 0.360 0.173
151 HA CYS 23 HA CYS 23 -1.978 2.737 -1.246
152 HB2 CYS 23 2HB CYS 23 -3.686 0.977 0.497
153 HB3 CYS 23 1HB CYS 23 -4.108 2.133 -0.782
154 H CYS 24 H CYS 24 -3.363 4.229 -0.027
155 HA CYS 24 HA CYS 24 -2.413 4.737 2.644
156 HB2 CYS 24 2HB CYS 24 -2.402 6.701 0.339
157 HB3 CYS 24 1HB CYS 24 -1.909 7.068 1.980
158 H ARG 25 H ARG 25 -3.873 6.419 3.606
159 HA ARG 25 HA ARG 25 -6.516 5.811 2.542
160 HB2 ARG 25 2HB ARG 25 -5.569 4.777 4.760
161 HB3 ARG 25 1HB ARG 25 -5.888 6.379 5.386
162 HG2 ARG 25 2HG ARG 25 -8.040 5.122 3.914
163 HG3 ARG 25 1HG ARG 25 -7.639 4.407 5.491
164 HD2 ARG 25 2HD ARG 25 -8.323 7.311 4.885
165 HD3 ARG 25 1HD ARG 25 -9.407 6.153 5.662
166 HE ARG 25 HE ARG 25 -7.279 6.098 7.279
167 HH11 ARG 25 1HH1 ARG 25 -8.982 8.895 5.929
168 HH12 ARG 25 2HH1 ARG 25 -8.831 9.858 7.326
169 HH21 ARG 25 1HH2 ARG 25 -6.979 7.383 9.136
170 HH22 ARG 25 2HH2 ARG 25 -7.604 8.956 9.266
171 H ASP 26 H ASP 26 -7.674 7.524 2.015
172 HA ASP 26 HA ASP 26 -6.393 10.071 2.406
173 HB2 ASP 26 2HB ASP 26 -7.456 10.803 0.476
174 HB3 ASP 26 1HB ASP 26 -7.241 9.086 0.123
175 H LEU 27 H LEU 27 -8.264 11.627 2.155
176 HA LEU 27 HA LEU 27 -9.058 12.314 4.679
177 HB2 LEU 27 2HB LEU 27 -10.432 13.212 2.201
178 HB3 LEU 27 1HB LEU 27 -10.252 14.098 3.696
179 HG LEU 27 HG LEU 27 -7.910 13.384 1.955
180 HD11 LEU 27 1HD1 LEU 27 -8.156 15.585 0.976
181 HD12 LEU 27 2HD1 LEU 27 -9.628 15.832 1.949
182 HD13 LEU 27 3HD1 LEU 27 -9.572 14.539 0.742
183 HD21 LEU 27 3HD2 LEU 27 -7.453 13.988 4.280
184 HD22 LEU 27 1HD2 LEU 27 -8.353 15.492 4.073
185 HD23 LEU 27 2HD2 LEU 27 -6.862 15.219 3.158
186 H SER 28 H SER 28 -10.931 11.197 1.972
187 HA SER 28 HA SER 28 -13.307 11.121 3.520
188 HB2 SER 28 2HB SER 28 -13.452 11.990 1.257
189 HB3 SER 28 1HB SER 28 -12.814 10.483 0.610
190 HG SER 28 HG SER 28 -14.833 9.704 1.929
191 H GLY 29 H GLY 29 -10.811 9.287 3.420
192 HA2 GLY 29 2HA GLY 29 -10.342 7.421 4.193
193 HA3 GLY 29 1HA GLY 29 -12.025 7.141 4.668
194 H ARG 30 H ARG 30 -10.357 7.326 1.475
195 HA ARG 30 HA ARG 30 -11.259 4.580 0.996
196 HB2 ARG 30 2HB ARG 30 -10.558 6.754 -1.006
197 HB3 ARG 30 1HB ARG 30 -10.823 5.081 -1.439
198 HG2 ARG 30 2HG ARG 30 -12.780 6.260 -2.019
199 HG3 ARG 30 1HG ARG 30 -13.175 5.356 -0.562
200 HD2 ARG 30 2HD ARG 30 -14.049 7.677 -0.564
201 HD3 ARG 30 1HD ARG 30 -12.961 7.337 0.781
202 HE ARG 30 HE ARG 30 -11.291 8.614 -0.223
203 HH11 ARG 30 1HH1 ARG 30 -14.285 8.776 -2.097
204 HH12 ARG 30 2HH1 ARG 30 -13.951 10.287 -2.814
205 HH21 ARG 30 1HH2 ARG 30 -10.851 10.661 -1.075
206 HH22 ARG 30 2HH2 ARG 30 -11.856 11.429 -2.229
207 H CYS 31 H CYS 31 -9.695 3.480 -0.558
208 HA CYS 31 HA CYS 31 -7.016 3.959 0.426
209 HB2 CYS 31 2HB CYS 31 -8.378 1.516 -0.604
210 HB3 CYS 31 1HB CYS 31 -6.624 1.649 -0.714
211 H VAL 32 H VAL 32 -5.732 5.005 -0.729
212 HA VAL 32 HA VAL 32 -6.026 4.835 -3.516
213 HB VAL 32 HB VAL 32 -4.625 7.087 -3.455
214 HG11 VAL 32 1HG1 VAL 32 -6.774 6.775 -4.422
215 HG12 VAL 32 2HG1 VAL 32 -6.749 8.312 -3.532
216 HG13 VAL 32 3HG1 VAL 32 -7.575 6.897 -2.851
217 HG21 VAL 32 3HG2 VAL 32 -4.499 6.863 -0.911
218 HG22 VAL 32 1HG2 VAL 32 -6.177 7.379 -0.861
219 HG23 VAL 32 2HG2 VAL 32 -4.955 8.461 -1.530
220 HA PRO 33 HA PRO 33 -1.999 2.965 -3.469
221 HB2 PRO 33 2HB PRO 33 -1.178 3.712 -5.995
222 HB3 PRO 33 1HB PRO 33 -2.300 2.369 -5.700
223 HG2 PRO 33 2HG PRO 33 -2.909 5.154 -6.546
224 HG3 PRO 33 1HG PRO 33 -3.640 3.626 -7.078
225 HD2 PRO 33 2HD PRO 33 -4.897 5.226 -5.294
226 HD3 PRO 33 1HD PRO 33 -4.992 3.456 -5.221
227 H TYR 34 H TYR 34 -0.171 3.767 -2.454
228 HA TYR 34 HA TYR 34 0.302 6.448 -2.109
229 HB2 TYR 34 2HB TYR 34 1.326 5.264 -0.555
230 HB3 TYR 34 1HB TYR 34 1.878 3.988 -1.642
231 HD1 TYR 34 1HD TYR 34 2.757 7.503 -0.262
232 HD2 TYR 34 2HD TYR 34 4.066 4.164 -2.656
233 HE1 TYR 34 1HE TYR 34 4.792 8.264 -0.166
234 HE2 TYR 34 2HE TYR 34 6.265 5.062 -2.554
235 HH TYR 34 HH TYR 34 7.098 7.681 -2.173
236 H VAL 35 H VAL 35 1.337 8.001 -3.018
237 HA VAL 35 HA VAL 35 3.584 7.495 -4.526
238 HB VAL 35 HB VAL 35 2.254 9.785 -5.409
239 HG11 VAL 35 1HG1 VAL 35 3.253 7.479 -7.008
240 HG12 VAL 35 2HG1 VAL 35 4.106 8.923 -6.454
241 HG13 VAL 35 3HG1 VAL 35 2.827 9.077 -7.664
242 HG21 VAL 35 3HG2 VAL 35 0.189 8.547 -5.087
243 HG22 VAL 35 1HG2 VAL 35 0.694 7.334 -6.246
244 HG23 VAL 35 2HG2 VAL 35 0.377 8.996 -6.798
245 H ASP 36 H ASP 36 4.847 9.191 -3.907
246 HA ASP 36 HA ASP 36 3.754 11.354 -2.150
247 HB2 ASP 36 2HB ASP 36 5.694 11.097 -0.968
248 HB3 ASP 36 1HB ASP 36 5.212 9.429 -1.362
249 H ALA 37 H ALA 37 5.592 12.678 -2.006
250 HA ALA 37 HA ALA 37 4.534 14.191 -3.876
251 HB1 ALA 37 1HB ALA 37 5.100 14.677 -1.755
252 HB2 ALA 37 2HB ALA 37 5.768 15.963 -2.833
253 HB3 ALA 37 3HB ALA 37 6.829 14.699 -2.095
254 H GLU 38 H GLU 38 7.473 12.296 -3.748
255 HA GLU 38 HA GLU 38 8.777 13.508 -5.828
256 HB2 GLU 38 2HB GLU 38 9.044 11.087 -4.241
257 HB3 GLU 38 1HB GLU 38 10.161 11.323 -5.598
258 HG2 GLU 38 2HG GLU 38 10.840 13.475 -4.440
259 HG3 GLU 38 1HG GLU 38 9.852 12.965 -3.069
260 H GLN 39 H GLN 39 5.934 11.519 -5.691
261 HA GLN 39 HA GLN 39 4.808 10.480 -6.973
262 HB2 GLN 39 2HB GLN 39 6.834 11.522 -8.700
263 HB3 GLN 39 1HB GLN 39 5.554 10.518 -9.480
264 HG2 GLN 39 2HG GLN 39 3.924 12.139 -8.546
265 HG3 GLN 39 1HG GLN 39 5.261 13.029 -7.818
266 HE21 GLN 39 1HE2 GLN 39 6.579 14.253 -9.137
267 HE22 GLN 39 2HE2 GLN 39 6.130 14.687 -10.758
268 H LYS 40 H LYS 40 6.932 9.169 -5.434
269 HA LYS 40 HA LYS 40 7.783 6.963 -7.062
270 HB2 LYS 40 2HB LYS 40 7.815 7.379 -4.126
271 HB3 LYS 40 1HB LYS 40 8.716 6.128 -5.026
272 HG2 LYS 40 2HG LYS 40 9.845 7.984 -6.145
273 HG3 LYS 40 1HG LYS 40 9.033 9.074 -4.985
274 HD2 LYS 40 2HD LYS 40 11.007 6.848 -4.282
275 HD3 LYS 40 1HD LYS 40 11.379 8.564 -4.236
276 HE2 LYS 40 2HE LYS 40 9.280 7.216 -2.511
277 HE3 LYS 40 1HE LYS 40 10.927 7.536 -1.999
278 HZ1 LYS 40 3HZ LYS 40 8.885 9.616 -2.695
279 HZ2 LYS 40 1HZ LYS 40 10.478 9.940 -2.277
280 HZ3 LYS 40 2HZ LYS 40 9.435 9.242 -1.180
281 H ASN 41 H ASN 41 6.929 5.027 -6.859
282 HA ASN 41 HA ASN 41 4.436 4.857 -5.363
283 HB2 ASN 41 2HB ASN 41 4.304 4.849 -7.891
284 HB3 ASN 41 1HB ASN 41 5.294 3.392 -7.764
285 HD21 ASN 41 1HD2 ASN 41 2.117 4.668 -6.831
286 HD22 ASN 41 2HD2 ASN 41 1.316 3.143 -6.858
287 H LEU 42 H LEU 42 4.080 2.260 -5.241
288 HA LEU 42 HA LEU 42 6.468 0.841 -4.483
289 HB2 LEU 42 2HB LEU 42 4.629 1.956 -2.437
290 HB3 LEU 42 1HB LEU 42 5.542 0.494 -2.161
291 HG LEU 42 HG LEU 42 6.839 3.102 -2.850
292 HD11 LEU 42 1HD1 LEU 42 5.658 3.581 -1.031
293 HD12 LEU 42 2HD1 LEU 42 7.197 3.071 -0.270
294 HD13 LEU 42 3HD1 LEU 42 5.764 1.985 -0.321
295 HD21 LEU 42 3HD2 LEU 42 7.822 0.588 -1.486
296 HD22 LEU 42 1HD2 LEU 42 8.773 2.045 -1.775
297 HD23 LEU 42 2HD2 LEU 42 8.206 1.079 -3.137
298 H PHE 43 H PHE 43 6.048 -1.151 -5.057
299 HA PHE 43 HA PHE 43 3.457 -2.173 -4.830
300 HB2 PHE 43 2HB PHE 43 5.222 -2.359 -6.751
301 HB3 PHE 43 1HB PHE 43 5.901 -3.625 -5.754
302 HD1 PHE 43 1HD PHE 43 4.131 -5.438 -4.936
303 HD2 PHE 43 2HD PHE 43 3.686 -2.948 -8.348
304 HE1 PHE 43 1HE PHE 43 2.543 -7.040 -5.896
305 HE2 PHE 43 2HE PHE 43 2.090 -4.543 -9.316
306 HZ PHE 43 HZ PHE 43 1.515 -6.594 -8.088
307 H LEU 44 H LEU 44 3.073 -3.454 -2.873
308 HA LEU 44 HA LEU 44 4.831 -3.392 -0.975
309 HB2 LEU 44 2HB LEU 44 2.358 -4.989 -1.326
310 HB3 LEU 44 1HB LEU 44 3.388 -5.426 0.021
311 HG LEU 44 HG LEU 44 2.260 -2.651 -0.408
312 HD11 LEU 44 1HD1 LEU 44 1.346 -4.873 1.421
313 HD12 LEU 44 2HD1 LEU 44 0.473 -4.272 0.009
314 HD13 LEU 44 3HD1 LEU 44 0.719 -3.226 1.404
315 HD21 LEU 44 3HD2 LEU 44 4.320 -2.703 0.919
316 HD22 LEU 44 1HD2 LEU 44 3.626 -3.955 1.950
317 HD23 LEU 44 2HD2 LEU 44 2.928 -2.340 1.933
318 H ARG 45 H ARG 45 6.055 -5.461 0.055
319 HA ARG 45 HA ARG 45 6.841 -7.265 -2.005
320 HB2 ARG 45 2HB ARG 45 8.046 -6.023 0.219
321 HB3 ARG 45 1HB ARG 45 8.319 -7.772 0.295
322 HG2 ARG 45 2HG ARG 45 10.205 -6.662 -0.854
323 HG3 ARG 45 1HG ARG 45 9.344 -7.736 -1.940
324 HD2 ARG 45 2HD ARG 45 9.033 -4.715 -1.854
325 HD3 ARG 45 1HD ARG 45 10.037 -5.588 -3.003
326 HE ARG 45 HE ARG 45 7.096 -5.667 -2.861
327 HH11 ARG 45 1HH1 ARG 45 10.026 -6.063 -4.824
328 HH12 ARG 45 2HH1 ARG 45 9.170 -6.381 -6.259
329 HH21 ARG 45 1HH2 ARG 45 5.962 -6.112 -4.729
330 HH22 ARG 45 2HH2 ARG 45 6.712 -6.438 -6.215
331 H LYS 46 H LYS 46 7.419 -9.565 -1.070
332 HA LYS 46 HA LYS 46 4.813 -10.538 -0.437
333 HB2 LYS 46 2HB LYS 46 5.605 -12.763 -0.882
334 HB3 LYS 46 1HB LYS 46 6.117 -11.673 -2.156
335 HG2 LYS 46 2HG LYS 46 8.365 -11.628 -1.190
336 HG3 LYS 46 1HG LYS 46 7.834 -12.726 0.078
337 HD2 LYS 46 2HD LYS 46 7.778 -13.374 -2.882
338 HD3 LYS 46 1HD LYS 46 9.080 -13.835 -1.800
339 HE2 LYS 46 2HE LYS 46 7.688 -15.768 -2.079
340 HE3 LYS 46 1HE LYS 46 7.373 -15.150 -0.467
341 HZ1 LYS 46 3HZ LYS 46 5.353 -15.859 -1.765
342 HZ2 LYS 46 1HZ LYS 46 5.581 -14.574 -2.802
343 HZ3 LYS 46 2HZ LYS 46 5.200 -14.409 -1.144
344 H GLY 47 H GLY 47 4.257 -12.092 1.042
345 HA2 GLY 47 2HA GLY 47 4.084 -13.077 3.056
346 HA3 GLY 47 1HA GLY 47 5.824 -12.827 3.325
347 H LYS 48 H LYS 48 3.396 -10.418 2.586
348 HA LYS 48 HA LYS 48 3.579 -9.362 5.312
349 HB2 LYS 48 2HB LYS 48 3.263 -8.217 2.623
350 HB3 LYS 48 1HB LYS 48 3.120 -7.164 4.068
351 HG2 LYS 48 2HG LYS 48 5.540 -8.688 3.031
352 HG3 LYS 48 1HG LYS 48 5.336 -6.939 3.025
353 HD2 LYS 48 2HD LYS 48 5.661 -6.770 5.322
354 HD3 LYS 48 1HD LYS 48 5.254 -8.457 5.619
355 HE2 LYS 48 2HE LYS 48 7.728 -7.488 4.192
356 HE3 LYS 48 1HE LYS 48 7.660 -8.010 5.876
357 HZ1 LYS 48 3HZ LYS 48 6.826 -10.205 5.019
358 HZ2 LYS 48 1HZ LYS 48 8.419 -9.861 4.554
359 HZ3 LYS 48 2HZ LYS 48 7.151 -9.699 3.464
360 HA PRO 49 HA PRO 49 -0.793 -10.148 5.336
361 HB2 PRO 49 2HB PRO 49 -1.380 -7.540 6.568
362 HB3 PRO 49 1HB PRO 49 -1.558 -9.164 7.263
363 HG2 PRO 49 2HG PRO 49 0.326 -7.504 8.136
364 HG3 PRO 49 1HG PRO 49 0.593 -9.255 8.024
365 HD2 PRO 49 2HD PRO 49 1.514 -7.099 6.171
366 HD3 PRO 49 1HD PRO 49 2.393 -8.516 6.785
367 H CYS 50 H CYS 50 -2.237 -10.022 3.696
368 HA CYS 50 HA CYS 50 -2.738 -7.427 2.564
369 HB2 CYS 50 2HB CYS 50 -2.963 -8.362 0.334
370 HB3 CYS 50 1HB CYS 50 -1.450 -8.966 0.985
371 H THR 51 H THR 51 -4.946 -8.435 0.964
372 HA THR 51 HA THR 51 -7.087 -8.295 2.737
373 HB THR 51 HB THR 51 -8.304 -9.332 0.690
374 HG1 THR 51 1HG THR 51 -5.938 -8.608 -0.658
375 HG21 THR 51 3HG2 THR 51 -8.244 -6.941 1.240
376 HG22 THR 51 1HG2 THR 51 -8.103 -7.229 -0.510
377 HG23 THR 51 2HG2 THR 51 -6.658 -6.869 0.439
378 H VAL 52 H VAL 52 -6.273 -10.955 0.742
379 HA VAL 52 HA VAL 52 -7.895 -12.763 2.293
380 HB VAL 52 HB VAL 52 -7.469 -14.433 0.540
381 HG11 VAL 52 1HG1 VAL 52 -9.326 -12.904 0.298
382 HG12 VAL 52 2HG1 VAL 52 -8.583 -13.144 -1.290
383 HG13 VAL 52 3HG1 VAL 52 -8.262 -11.670 -0.369
384 HG21 VAL 52 3HG2 VAL 52 -5.143 -13.606 0.011
385 HG22 VAL 52 1HG2 VAL 52 -5.878 -12.282 -0.893
386 HG23 VAL 52 2HG2 VAL 52 -6.143 -13.946 -1.399
387 H GLY 53 H GLY 53 -4.568 -12.073 2.400
388 HA2 GLY 53 2HA GLY 53 -4.068 -13.767 4.446
389 HA3 GLY 53 1HA GLY 53 -3.603 -14.628 2.967
390 H PHE 54 H PHE 54 -1.566 -14.380 2.401
391 HA PHE 54 HA PHE 54 -0.204 -11.971 3.353
392 HB2 PHE 54 2HB PHE 54 1.000 -14.611 2.461
393 HB3 PHE 54 1HB PHE 54 1.943 -13.179 2.862
394 HD1 PHE 54 1HD PHE 54 1.970 -12.332 5.166
395 HD2 PHE 54 2HD PHE 54 0.090 -16.011 4.148
396 HE1 PHE 54 1HE PHE 54 1.998 -12.991 7.532
397 HE2 PHE 54 2HE PHE 54 0.110 -16.680 6.516
398 HZ PHE 54 HZ PHE 54 1.066 -15.169 8.212
399 H CYS 55 H CYS 55 1.100 -10.914 2.005
400 HA CYS 55 HA CYS 55 0.038 -10.611 -0.675
401 HB2 CYS 55 2HB CYS 55 0.452 -8.670 0.818
402 HB3 CYS 55 1HB CYS 55 2.135 -9.184 0.871
403 H ASP 56 H ASP 56 1.229 -11.085 -2.528
404 HA ASP 56 HA ASP 56 3.962 -11.827 -2.041
405 HB2 ASP 56 2HB ASP 56 2.856 -13.750 -2.987
406 HB3 ASP 56 1HB ASP 56 2.104 -12.768 -4.251
407 H MET 57 H MET 57 5.391 -11.284 -3.844
408 HA MET 57 HA MET 57 5.399 -8.484 -4.257
409 HB2 MET 57 2HB MET 57 7.455 -8.874 -5.460
410 HB3 MET 57 1HB MET 57 7.400 -9.691 -3.884
411 HG2 MET 57 2HG MET 57 6.922 -11.801 -5.051
412 HG3 MET 57 1HG MET 57 7.042 -10.957 -6.595
413 HE1 MET 57 3HE MET 57 8.727 -13.559 -5.904
414 HE2 MET 57 1HE MET 57 10.313 -13.108 -6.531
415 HE3 MET 57 2HE MET 57 8.857 -12.696 -7.438
416 H ASN 58 H ASN 58 4.243 -11.058 -6.163
417 HA ASN 58 HA ASN 58 4.213 -9.508 -8.636
418 HB2 ASN 58 2HB ASN 58 4.587 -11.995 -8.641
419 HB3 ASN 58 1HB ASN 58 2.936 -12.209 -8.084
420 HD21 ASN 58 1HD2 ASN 58 4.971 -11.399 -10.765
421 HD22 ASN 58 2HD2 ASN 58 3.748 -11.483 -11.985
422 H GLY 59 H GLY 59 2.318 -9.506 -5.892
423 HA2 GLY 59 2HA GLY 59 0.490 -7.974 -5.741
424 HA3 GLY 59 1HA GLY 59 0.085 -8.335 -7.413
425 H LYS 60 H LYS 60 0.845 -11.135 -6.224
426 HA LYS 60 HA LYS 60 -1.954 -12.009 -5.773
427 HB2 LYS 60 2HB LYS 60 0.657 -13.404 -6.250
428 HB3 LYS 60 1HB LYS 60 -0.711 -14.245 -5.570
429 HG2 LYS 60 2HG LYS 60 -0.543 -14.741 -7.954
430 HG3 LYS 60 1HG LYS 60 -2.004 -13.826 -7.617
431 HD2 LYS 60 2HD LYS 60 0.491 -12.428 -8.568
432 HD3 LYS 60 1HD LYS 60 -0.565 -13.242 -9.717
433 HE2 LYS 60 2HE LYS 60 -2.410 -11.836 -9.106
434 HE3 LYS 60 1HE LYS 60 -1.501 -11.149 -7.766
435 HZ1 LYS 60 3HZ LYS 60 -1.606 -9.654 -9.530
436 HZ2 LYS 60 1HZ LYS 60 -0.918 -10.719 -10.666
437 HZ3 LYS 60 2HZ LYS 60 0.003 -10.123 -9.371
438 H CYS 61 H CYS 61 -2.271 -13.563 -4.218
439 HA CYS 61 HA CYS 61 -0.920 -12.744 -1.830
440 HB2 CYS 61 2HB CYS 61 -3.664 -12.667 -2.644
441 HB3 CYS 61 1HB CYS 61 -3.433 -13.169 -0.931
442 H GLU 62 H GLU 62 -0.837 -14.273 -0.292
443 HA GLU 62 HA GLU 62 -0.876 -16.985 -1.270
444 HB2 GLU 62 2HB GLU 62 0.905 -15.721 0.850
445 HB3 GLU 62 1HB GLU 62 1.078 -17.330 0.165
446 HG2 GLU 62 2HG GLU 62 1.654 -16.375 -2.002
447 HG3 GLU 62 1HG GLU 62 1.391 -14.756 -1.379
Start of MODEL 15
1 H PHE 1 1HT PHE 1 6.459 4.640 5.340
2 HA PHE 1 HA PHE 1 6.676 3.672 3.317
3 HB2 PHE 1 2HB PHE 1 4.837 2.119 2.507
4 HB3 PHE 1 1HB PHE 1 6.112 1.394 3.495
5 HD1 PHE 1 1HD PHE 1 2.583 2.303 3.210
6 HD2 PHE 1 2HD PHE 1 5.532 0.536 5.712
7 HE1 PHE 1 1HE PHE 1 0.819 1.306 4.565
8 HE2 PHE 1 2HE PHE 1 3.761 -0.457 7.099
9 HZ PHE 1 HZ PHE 1 1.396 -0.077 6.527
10 H CYS 2 H CYS 2 3.690 4.501 4.884
11 HA CYS 2 HA CYS 2 3.684 6.654 2.951
12 HB2 CYS 2 2HB CYS 2 1.875 5.068 2.418
13 HB3 CYS 2 1HB CYS 2 1.207 5.305 4.029
14 H GLU 3 H GLU 3 3.361 5.622 6.214
15 HA GLU 3 HA GLU 3 1.886 7.627 7.468
16 HB2 GLU 3 2HB GLU 3 4.098 6.443 9.057
17 HB3 GLU 3 1HB GLU 3 2.417 6.644 9.448
18 HG2 GLU 3 2HG GLU 3 2.882 4.320 9.413
19 HG3 GLU 3 1HG GLU 3 1.904 4.695 7.985
20 H ARG 4 H ARG 4 5.401 7.448 7.136
21 HA ARG 4 HA ARG 4 5.606 9.862 8.605
22 HB2 ARG 4 2HB ARG 4 7.755 8.231 7.292
23 HB3 ARG 4 1HB ARG 4 8.081 9.614 8.326
24 HG2 ARG 4 2HG ARG 4 8.537 7.761 9.670
25 HG3 ARG 4 1HG ARG 4 6.894 8.182 10.144
26 HD2 ARG 4 2HD ARG 4 7.298 5.721 9.778
27 HD3 ARG 4 1HD ARG 4 5.983 6.409 8.829
28 HE ARG 4 HE ARG 4 7.350 6.396 6.914
29 HH11 ARG 4 1HH1 ARG 4 8.604 4.459 9.573
30 HH12 ARG 4 2HH1 ARG 4 9.702 3.557 8.635
31 HH21 ARG 4 1HH2 ARG 4 8.777 5.216 5.581
32 HH22 ARG 4 2HH2 ARG 4 9.830 4.028 6.214
33 H GLU 5 H GLU 5 6.339 8.545 5.451
34 HA GLU 5 HA GLU 5 7.534 10.713 4.331
35 HB2 GLU 5 2HB GLU 5 6.834 9.341 2.252
36 HB3 GLU 5 1HB GLU 5 8.183 8.864 3.358
37 HG2 GLU 5 2HG GLU 5 5.384 7.735 3.443
38 HG3 GLU 5 1HG GLU 5 6.629 7.026 2.430
39 H GLN 6 H GLN 6 4.174 9.682 4.061
40 HA GLN 6 HA GLN 6 3.636 12.061 2.347
41 HB2 GLN 6 2HB GLN 6 1.868 9.697 2.963
42 HB3 GLN 6 1HB GLN 6 1.459 11.047 1.929
43 HG2 GLN 6 2HG GLN 6 3.631 9.046 1.406
44 HG3 GLN 6 1HG GLN 6 1.959 9.063 0.780
45 HE21 GLN 6 1HE2 GLN 6 1.421 10.377 -0.856
46 HE22 GLN 6 2HE2 GLN 6 2.550 11.335 -1.742
47 H GLN 7 H GLN 7 3.410 10.718 5.390
48 HA GLN 7 HA GLN 7 2.595 11.052 7.143
49 HB2 GLN 7 2HB GLN 7 1.782 13.781 6.158
50 HB3 GLN 7 1HB GLN 7 1.688 13.311 7.856
51 HG2 GLN 7 2HG GLN 7 4.056 12.817 7.854
52 HG3 GLN 7 1HG GLN 7 4.148 13.278 6.163
53 HE21 GLN 7 1HE2 GLN 7 3.774 14.388 9.413
54 HE22 GLN 7 2HE2 GLN 7 4.051 16.076 9.095
55 H LEU 8 H LEU 8 1.076 10.000 5.032
56 HA LEU 8 HA LEU 8 -1.746 10.302 5.789
57 HB2 LEU 8 2HB LEU 8 -0.388 8.773 3.594
58 HB3 LEU 8 1HB LEU 8 -2.106 8.734 3.939
59 HG LEU 8 HG LEU 8 -0.742 11.255 3.467
60 HD11 LEU 8 1HD1 LEU 8 -1.355 10.986 0.975
61 HD12 LEU 8 2HD1 LEU 8 -1.853 9.331 1.343
62 HD13 LEU 8 3HD1 LEU 8 -0.160 9.785 1.480
63 HD21 LEU 8 3HD2 LEU 8 -3.556 10.301 2.986
64 HD22 LEU 8 1HD2 LEU 8 -2.974 11.916 2.579
65 HD23 LEU 8 2HD2 LEU 8 -2.991 11.384 4.260
66 H GLU 9 H GLU 9 -2.771 8.735 6.393
67 HA GLU 9 HA GLU 9 -1.377 6.807 8.075
68 HB2 GLU 9 2HB GLU 9 -3.764 7.932 8.465
69 HB3 GLU 9 1HB GLU 9 -4.244 6.557 7.460
70 HG2 GLU 9 2HG GLU 9 -3.403 4.993 9.068
71 HG3 GLU 9 1HG GLU 9 -2.803 6.308 10.085
72 H SER 10 H SER 10 -1.353 4.568 7.673
73 HA SER 10 HA SER 10 -1.239 3.863 4.977
74 HB2 SER 10 2HB SER 10 -0.465 1.838 6.006
75 HB3 SER 10 1HB SER 10 0.247 3.380 6.641
76 HG SER 10 HG SER 10 -1.965 2.432 7.991
77 H CYS 11 H CYS 11 -2.418 2.047 4.052
78 HA CYS 11 HA CYS 11 -4.413 0.691 5.486
79 HB2 CYS 11 2HB CYS 11 -5.714 2.878 4.891
80 HB3 CYS 11 1HB CYS 11 -5.430 2.433 3.204
81 H ALA 12 H ALA 12 -5.695 -0.549 3.560
82 HA ALA 12 HA ALA 12 -3.716 -1.283 1.549
83 HB1 ALA 12 1HB ALA 12 -4.362 -3.647 1.886
84 HB2 ALA 12 2HB ALA 12 -5.365 -3.149 3.254
85 HB3 ALA 12 3HB ALA 12 -3.614 -2.958 3.331
86 H CYS 13 H CYS 13 -4.624 -1.330 -0.427
87 HA CYS 13 HA CYS 13 -7.292 -0.535 -0.846
88 HB2 CYS 13 2HB CYS 13 -5.281 -1.824 -2.690
89 HB3 CYS 13 1HB CYS 13 -6.717 -0.931 -3.172
90 H ASN 14 H ASN 14 -9.034 -1.532 -1.387
91 HA ASN 14 HA ASN 14 -9.380 -3.958 0.020
92 HB2 ASN 14 2HB ASN 14 -11.321 -2.349 -1.624
93 HB3 ASN 14 1HB ASN 14 -11.768 -3.722 -0.621
94 HD21 ASN 14 1HD2 ASN 14 -9.797 -2.871 1.492
95 HD22 ASN 14 2HD2 ASN 14 -10.571 -1.538 2.271
96 H GLU 15 H GLU 15 -8.950 -3.044 -3.239
97 HA GLU 15 HA GLU 15 -10.015 -5.220 -4.470
98 HB2 GLU 15 2HB GLU 15 -7.505 -3.832 -5.321
99 HB3 GLU 15 1HB GLU 15 -8.638 -4.660 -6.384
100 HG2 GLU 15 2HG GLU 15 -9.019 -2.461 -6.808
101 HG3 GLU 15 1HG GLU 15 -10.263 -2.777 -5.582
102 H THR 16 H THR 16 -9.214 -7.371 -4.366
103 HA THR 16 HA THR 16 -7.399 -8.377 -2.681
104 HB THR 16 HB THR 16 -7.977 -9.381 -5.454
105 HG1 THR 16 1HG THR 16 -9.151 -9.891 -2.913
106 HG21 THR 16 3HG2 THR 16 -6.853 -10.922 -3.077
107 HG22 THR 16 1HG2 THR 16 -5.926 -10.357 -4.480
108 HG23 THR 16 2HG2 THR 16 -7.206 -11.566 -4.681
109 H ASP 17 H ASP 17 -6.636 -7.348 -5.957
110 HA ASP 17 HA ASP 17 -4.027 -8.340 -5.709
111 HB2 ASP 17 2HB ASP 17 -5.337 -8.171 -7.838
112 HB3 ASP 17 1HB ASP 17 -5.018 -6.427 -7.721
113 H ASN 18 H ASN 18 -5.655 -5.172 -5.333
114 HA ASN 18 HA ASN 18 -3.170 -3.818 -5.394
115 HB2 ASN 18 2HB ASN 18 -5.926 -2.697 -4.911
116 HB3 ASN 18 1HB ASN 18 -4.466 -1.741 -4.827
117 HD21 ASN 18 1HD2 ASN 18 -6.629 -1.366 -6.588
118 HD22 ASN 18 2HD2 ASN 18 -6.048 -1.525 -8.210
119 H SER 19 H SER 19 -4.736 -5.550 -3.166
120 HA SER 19 HA SER 19 -4.157 -4.168 -0.781
121 HB2 SER 19 2HB SER 19 -3.982 -7.135 -1.218
122 HB3 SER 19 1HB SER 19 -4.453 -6.299 0.268
123 HG SER 19 HG SER 19 -6.141 -5.381 -1.262
124 H CYS 20 H CYS 20 -2.155 -5.578 -3.137
125 HA CYS 20 HA CYS 20 0.115 -5.777 -1.364
126 HB2 CYS 20 2HB CYS 20 -0.493 -6.828 -4.050
127 HB3 CYS 20 1HB CYS 20 1.196 -6.570 -3.595
128 H LYS 21 H LYS 21 -1.142 -3.161 -2.508
129 HA LYS 21 HA LYS 21 1.520 -1.990 -3.020
130 HB2 LYS 21 2HB LYS 21 -1.188 -1.186 -3.953
131 HB3 LYS 21 1HB LYS 21 0.245 -0.162 -4.114
132 HG2 LYS 21 2HG LYS 21 0.016 -1.000 -6.271
133 HG3 LYS 21 1HG LYS 21 1.072 -2.225 -5.562
134 HD2 LYS 21 2HD LYS 21 -0.891 -3.612 -5.076
135 HD3 LYS 21 1HD LYS 21 -1.909 -2.364 -5.802
136 HE2 LYS 21 2HE LYS 21 -0.714 -2.697 -7.947
137 HE3 LYS 21 1HE LYS 21 0.184 -4.022 -7.194
138 HZ1 LYS 21 3HZ LYS 21 -1.979 -5.089 -6.724
139 HZ2 LYS 21 1HZ LYS 21 -1.769 -4.943 -8.377
140 HZ3 LYS 21 2HZ LYS 21 -2.747 -3.870 -7.575
141 H VAL 22 H VAL 22 1.904 -0.252 -2.402
142 HA VAL 22 HA VAL 22 1.228 -0.052 0.318
143 HB VAL 22 HB VAL 22 2.877 1.701 -1.492
144 HG11 VAL 22 1HG1 VAL 22 2.491 1.680 1.467
145 HG12 VAL 22 2HG1 VAL 22 1.980 2.906 0.302
146 HG13 VAL 22 3HG1 VAL 22 3.720 2.660 0.615
147 HG21 VAL 22 3HG2 VAL 22 3.675 -0.437 0.525
148 HG22 VAL 22 1HG2 VAL 22 4.759 0.496 -0.522
149 HG23 VAL 22 2HG2 VAL 22 3.573 -0.685 -1.187
150 H CYS 23 H CYS 23 -0.615 0.533 0.606
151 HA CYS 23 HA CYS 23 -1.731 2.840 -0.832
152 HB2 CYS 23 2HB CYS 23 -3.292 0.957 0.908
153 HB3 CYS 23 1HB CYS 23 -3.896 2.179 -0.214
154 H CYS 24 H CYS 24 -2.764 4.509 0.213
155 HA CYS 24 HA CYS 24 -2.015 4.950 2.995
156 HB2 CYS 24 2HB CYS 24 -2.539 6.888 0.731
157 HB3 CYS 24 1HB CYS 24 -2.016 7.314 2.352
158 H ARG 25 H ARG 25 -3.744 6.680 3.838
159 HA ARG 25 HA ARG 25 -6.347 5.908 2.789
160 HB2 ARG 25 2HB ARG 25 -5.470 4.934 5.027
161 HB3 ARG 25 1HB ARG 25 -5.718 6.557 5.630
162 HG2 ARG 25 2HG ARG 25 -7.909 5.157 4.246
163 HG3 ARG 25 1HG ARG 25 -7.582 4.738 5.939
164 HD2 ARG 25 2HD ARG 25 -8.534 7.310 4.663
165 HD3 ARG 25 1HD ARG 25 -9.323 6.374 5.929
166 HE ARG 25 HE ARG 25 -7.690 8.543 6.265
167 HH11 ARG 25 1HH1 ARG 25 -7.911 5.275 7.744
168 HH12 ARG 25 2HH1 ARG 25 -7.018 5.705 9.126
169 HH21 ARG 25 1HH2 ARG 25 -6.605 9.114 8.369
170 HH22 ARG 25 2HH2 ARG 25 -6.333 7.862 9.493
171 H ASP 26 H ASP 26 -7.628 7.646 2.386
172 HA ASP 26 HA ASP 26 -6.227 10.183 2.498
173 HB2 ASP 26 2HB ASP 26 -7.369 10.749 0.559
174 HB3 ASP 26 1HB ASP 26 -7.186 9.008 0.354
175 H LEU 27 H LEU 27 -8.149 11.746 2.215
176 HA LEU 27 HA LEU 27 -8.882 12.210 4.846
177 HB2 LEU 27 2HB LEU 27 -9.799 13.886 2.549
178 HB3 LEU 27 1HB LEU 27 -9.548 14.405 4.206
179 HG LEU 27 HG LEU 27 -7.057 13.605 3.545
180 HD11 LEU 27 1HD1 LEU 27 -7.649 13.029 1.269
181 HD12 LEU 27 2HD1 LEU 27 -6.490 14.356 1.313
182 HD13 LEU 27 3HD1 LEU 27 -8.191 14.681 0.983
183 HD21 LEU 27 3HD2 LEU 27 -6.531 15.985 3.183
184 HD22 LEU 27 1HD2 LEU 27 -7.627 15.759 4.546
185 HD23 LEU 27 2HD2 LEU 27 -8.250 16.328 2.997
186 H SER 28 H SER 28 -10.585 11.073 2.017
187 HA SER 28 HA SER 28 -13.124 11.611 3.112
188 HB2 SER 28 2HB SER 28 -12.838 11.686 0.676
189 HB3 SER 28 1HB SER 28 -12.304 10.007 0.667
190 HG SER 28 HG SER 28 -14.593 10.152 1.941
191 H GLY 29 H GLY 29 -10.709 9.343 3.490
192 HA2 GLY 29 2HA GLY 29 -10.631 7.737 4.854
193 HA3 GLY 29 1HA GLY 29 -12.399 7.672 5.047
194 H ARG 30 H ARG 30 -10.548 7.514 2.029
195 HA ARG 30 HA ARG 30 -11.431 4.763 1.576
196 HB2 ARG 30 2HB ARG 30 -10.639 7.038 -0.249
197 HB3 ARG 30 1HB ARG 30 -10.460 5.390 -0.791
198 HG2 ARG 30 2HG ARG 30 -12.469 6.379 -1.704
199 HG3 ARG 30 1HG ARG 30 -12.892 5.077 -0.610
200 HD2 ARG 30 2HD ARG 30 -12.910 7.965 0.243
201 HD3 ARG 30 1HD ARG 30 -14.294 7.217 -0.546
202 HE ARG 30 HE ARG 30 -13.242 5.861 1.777
203 HH11 ARG 30 1HH1 ARG 30 -15.575 8.229 0.637
204 HH12 ARG 30 2HH1 ARG 30 -16.668 8.038 1.930
205 HH21 ARG 30 1HH2 ARG 30 -14.642 5.589 3.577
206 HH22 ARG 30 2HH2 ARG 30 -16.099 6.466 3.709
207 H CYS 31 H CYS 31 -9.678 3.537 0.307
208 HA CYS 31 HA CYS 31 -7.086 4.212 1.444
209 HB2 CYS 31 2HB CYS 31 -8.173 1.476 0.716
210 HB3 CYS 31 1HB CYS 31 -6.610 1.807 1.467
211 H VAL 32 H VAL 32 -5.720 4.900 -0.016
212 HA VAL 32 HA VAL 32 -6.250 4.243 -2.712
213 HB VAL 32 HB VAL 32 -5.075 6.525 -3.196
214 HG11 VAL 32 1HG1 VAL 32 -7.302 5.974 -3.752
215 HG12 VAL 32 2HG1 VAL 32 -7.269 7.629 -3.105
216 HG13 VAL 32 3HG1 VAL 32 -7.880 6.290 -2.112
217 HG21 VAL 32 3HG2 VAL 32 -5.238 8.185 -1.503
218 HG22 VAL 32 1HG2 VAL 32 -4.481 6.784 -0.752
219 HG23 VAL 32 2HG2 VAL 32 -6.195 7.166 -0.445
220 HA PRO 33 HA PRO 33 -2.052 2.756 -2.892
221 HB2 PRO 33 2HB PRO 33 -1.510 3.352 -5.530
222 HB3 PRO 33 1HB PRO 33 -2.468 1.942 -5.028
223 HG2 PRO 33 2HG PRO 33 -3.414 4.581 -6.024
224 HG3 PRO 33 1HG PRO 33 -4.026 2.954 -6.385
225 HD2 PRO 33 2HD PRO 33 -5.311 4.544 -4.624
226 HD3 PRO 33 1HD PRO 33 -5.183 2.790 -4.393
227 H TYR 34 H TYR 34 -0.140 3.748 -2.222
228 HA TYR 34 HA TYR 34 0.131 6.539 -2.283
229 HB2 TYR 34 2HB TYR 34 1.374 5.800 -0.582
230 HB3 TYR 34 1HB TYR 34 1.778 4.266 -1.349
231 HD1 TYR 34 1HD TYR 34 2.976 7.927 -0.907
232 HD2 TYR 34 2HD TYR 34 3.810 4.108 -2.751
233 HE1 TYR 34 1HE TYR 34 5.009 8.570 -1.251
234 HE2 TYR 34 2HE TYR 34 6.025 4.886 -3.132
235 HH TYR 34 HH TYR 34 7.012 7.441 -3.410
236 H VAL 35 H VAL 35 1.172 7.898 -3.543
237 HA VAL 35 HA VAL 35 3.165 6.983 -5.222
238 HB VAL 35 HB VAL 35 1.700 9.141 -6.320
239 HG11 VAL 35 1HG1 VAL 35 2.523 6.577 -7.572
240 HG12 VAL 35 2HG1 VAL 35 3.382 8.120 -7.473
241 HG13 VAL 35 3HG1 VAL 35 1.919 7.997 -8.451
242 HG21 VAL 35 3HG2 VAL 35 -0.315 8.107 -7.258
243 HG22 VAL 35 1HG2 VAL 35 -0.281 8.029 -5.490
244 HG23 VAL 35 2HG2 VAL 35 0.091 6.584 -6.442
245 H ASP 36 H ASP 36 4.570 8.690 -5.094
246 HA ASP 36 HA ASP 36 3.783 11.145 -3.583
247 HB2 ASP 36 2HB ASP 36 5.914 11.062 -2.743
248 HB3 ASP 36 1HB ASP 36 5.365 9.370 -2.750
249 H ALA 37 H ALA 37 5.734 12.401 -4.066
250 HA ALA 37 HA ALA 37 4.196 13.657 -5.843
251 HB1 ALA 37 1HB ALA 37 6.797 14.439 -4.710
252 HB2 ALA 37 2HB ALA 37 5.207 14.407 -3.957
253 HB3 ALA 37 3HB ALA 37 5.519 15.580 -5.294
254 H GLU 38 H GLU 38 7.077 11.767 -6.050
255 HA GLU 38 HA GLU 38 7.967 12.659 -8.487
256 HB2 GLU 38 2HB GLU 38 8.523 10.474 -6.656
257 HB3 GLU 38 1HB GLU 38 9.358 10.499 -8.217
258 HG2 GLU 38 2HG GLU 38 10.322 12.698 -7.557
259 HG3 GLU 38 1HG GLU 38 9.500 12.557 -5.997
260 H GLN 39 H GLN 39 5.197 10.818 -7.563
261 HA GLN 39 HA GLN 39 3.856 9.582 -8.440
262 HB2 GLN 39 2HB GLN 39 5.487 10.398 -10.643
263 HB3 GLN 39 1HB GLN 39 4.150 9.257 -11.034
264 HG2 GLN 39 2HG GLN 39 4.021 11.930 -9.668
265 HG3 GLN 39 1HG GLN 39 3.569 11.690 -11.372
266 HE21 GLN 39 1HE2 GLN 39 2.273 9.106 -10.675
267 HE22 GLN 39 2HE2 GLN 39 0.793 9.543 -9.882
268 H LYS 40 H LYS 40 6.202 8.466 -7.153
269 HA LYS 40 HA LYS 40 6.728 6.034 -8.594
270 HB2 LYS 40 2HB LYS 40 7.427 6.879 -5.849
271 HB3 LYS 40 1HB LYS 40 8.119 5.500 -6.756
272 HG2 LYS 40 2HG LYS 40 8.875 7.193 -8.374
273 HG3 LYS 40 1HG LYS 40 8.364 8.418 -7.178
274 HD2 LYS 40 2HD LYS 40 10.515 6.290 -6.766
275 HD3 LYS 40 1HD LYS 40 10.830 8.002 -7.004
276 HE2 LYS 40 2HE LYS 40 9.299 6.830 -4.667
277 HE3 LYS 40 1HE LYS 40 10.999 7.265 -4.631
278 HZ1 LYS 40 3HZ LYS 40 8.719 9.170 -5.018
279 HZ2 LYS 40 1HZ LYS 40 10.344 9.608 -5.028
280 HZ3 LYS 40 2HZ LYS 40 9.644 9.003 -3.659
281 H ASN 41 H ASN 41 5.959 4.189 -7.965
282 HA ASN 41 HA ASN 41 3.810 4.243 -5.988
283 HB2 ASN 41 2HB ASN 41 3.335 3.690 -8.440
284 HB3 ASN 41 1HB ASN 41 4.326 2.270 -8.136
285 HD21 ASN 41 1HD2 ASN 41 1.984 3.554 -5.762
286 HD22 ASN 41 2HD2 ASN 41 0.944 2.187 -5.862
287 H LEU 42 H LEU 42 3.625 1.686 -5.306
288 HA LEU 42 HA LEU 42 6.188 0.420 -4.846
289 HB2 LEU 42 2HB LEU 42 4.600 1.655 -2.645
290 HB3 LEU 42 1HB LEU 42 5.725 0.348 -2.393
291 HG LEU 42 HG LEU 42 6.489 3.025 -3.488
292 HD11 LEU 42 1HD1 LEU 42 6.178 1.945 -0.714
293 HD12 LEU 42 2HD1 LEU 42 5.628 3.474 -1.444
294 HD13 LEU 42 3HD1 LEU 42 7.341 3.252 -1.064
295 HD21 LEU 42 3HD2 LEU 42 8.737 2.337 -2.784
296 HD22 LEU 42 1HD2 LEU 42 8.073 1.195 -3.952
297 HD23 LEU 42 2HD2 LEU 42 8.098 0.786 -2.236
298 H PHE 43 H PHE 43 5.938 -1.734 -4.293
299 HA PHE 43 HA PHE 43 3.316 -2.662 -4.002
300 HB2 PHE 43 2HB PHE 43 5.930 -3.829 -4.757
301 HB3 PHE 43 1HB PHE 43 4.519 -4.878 -4.493
302 HD1 PHE 43 2HD PHE 43 2.538 -4.534 -6.051
303 HD2 PHE 43 1HD PHE 43 6.340 -2.760 -6.767
304 HE1 PHE 43 2HE PHE 43 1.922 -4.164 -8.405
305 HE2 PHE 43 1HE PHE 43 5.728 -2.388 -9.119
306 HZ PHE 43 HZ PHE 43 3.515 -3.092 -9.938
307 H LEU 44 H LEU 44 2.943 -3.955 -2.062
308 HA LEU 44 HA LEU 44 4.543 -3.363 -0.030
309 HB2 LEU 44 2HB LEU 44 2.214 -5.224 -0.265
310 HB3 LEU 44 1HB LEU 44 3.126 -5.201 1.227
311 HG LEU 44 HG LEU 44 1.736 -2.791 0.030
312 HD11 LEU 44 1HD1 LEU 44 0.145 -3.087 1.859
313 HD12 LEU 44 2HD1 LEU 44 0.971 -4.569 2.344
314 HD13 LEU 44 3HD1 LEU 44 0.148 -4.485 0.786
315 HD21 LEU 44 3HD2 LEU 44 3.016 -3.212 2.732
316 HD22 LEU 44 1HD2 LEU 44 2.191 -1.757 2.188
317 HD23 LEU 44 2HD2 LEU 44 3.706 -2.251 1.431
318 H ARG 45 H ARG 45 5.743 -5.270 1.337
319 HA ARG 45 HA ARG 45 6.916 -6.932 -0.604
320 HB2 ARG 45 2HB ARG 45 7.555 -6.065 2.068
321 HB3 ARG 45 1HB ARG 45 8.576 -7.352 1.348
322 HG2 ARG 45 2HG ARG 45 8.754 -5.564 -0.596
323 HG3 ARG 45 1HG ARG 45 8.247 -4.434 0.659
324 HD2 ARG 45 2HD ARG 45 10.632 -4.409 0.571
325 HD3 ARG 45 1HD ARG 45 10.161 -5.257 2.046
326 HE ARG 45 HE ARG 45 10.544 -7.005 -0.184
327 HH11 ARG 45 1HH1 ARG 45 12.277 -5.332 2.410
328 HH12 ARG 45 2HH1 ARG 45 13.610 -6.385 2.418
329 HH21 ARG 45 1HH2 ARG 45 12.357 -8.459 -0.207
330 HH22 ARG 45 2HH2 ARG 45 13.659 -8.243 0.866
331 H LYS 46 H LYS 46 7.844 -9.044 0.506
332 HA LYS 46 HA LYS 46 5.743 -10.865 0.346
333 HB2 LYS 46 2HB LYS 46 8.081 -11.331 -0.315
334 HB3 LYS 46 1HB LYS 46 8.538 -11.339 1.378
335 HG2 LYS 46 2HG LYS 46 8.349 -13.606 0.565
336 HG3 LYS 46 1HG LYS 46 7.058 -13.294 1.729
337 HD2 LYS 46 2HD LYS 46 5.472 -12.962 -0.053
338 HD3 LYS 46 1HD LYS 46 6.742 -13.111 -1.265
339 HE2 LYS 46 2HE LYS 46 7.097 -15.454 -0.515
340 HE3 LYS 46 1HE LYS 46 5.739 -15.265 0.596
341 HZ1 LYS 46 3HZ LYS 46 5.564 -14.922 -2.351
342 HZ2 LYS 46 1HZ LYS 46 4.302 -14.816 -1.255
343 HZ3 LYS 46 2HZ LYS 46 4.950 -16.287 -1.476
344 H GLY 47 H GLY 47 4.467 -11.780 1.658
345 HA2 GLY 47 2HA GLY 47 3.741 -12.936 3.494
346 HA3 GLY 47 1HA GLY 47 5.266 -12.578 4.304
347 H LYS 48 H LYS 48 3.396 -10.041 2.876
348 HA LYS 48 HA LYS 48 2.710 -9.163 5.578
349 HB2 LYS 48 2HB LYS 48 2.800 -7.942 2.908
350 HB3 LYS 48 1HB LYS 48 2.172 -7.009 4.289
351 HG2 LYS 48 2HG LYS 48 5.009 -8.035 3.818
352 HG3 LYS 48 1HG LYS 48 4.487 -6.373 3.649
353 HD2 LYS 48 2HD LYS 48 5.634 -6.423 5.708
354 HD3 LYS 48 1HD LYS 48 3.941 -6.480 6.166
355 HE2 LYS 48 2HE LYS 48 5.379 -7.987 7.483
356 HE3 LYS 48 1HE LYS 48 4.135 -8.892 6.667
357 HZ1 LYS 48 3HZ LYS 48 5.893 -9.425 4.924
358 HZ2 LYS 48 1HZ LYS 48 6.164 -10.046 6.459
359 HZ3 LYS 48 2HZ LYS 48 7.020 -8.697 5.938
360 HA PRO 49 HA PRO 49 -1.351 -10.704 4.987
361 HB2 PRO 49 2HB PRO 49 -2.680 -9.073 6.762
362 HB3 PRO 49 1HB PRO 49 -1.733 -10.492 7.252
363 HG2 PRO 49 2HG PRO 49 -0.963 -7.628 7.299
364 HG3 PRO 49 1HG PRO 49 -0.620 -8.912 8.476
365 HD2 PRO 49 2HD PRO 49 1.231 -8.065 6.729
366 HD3 PRO 49 1HD PRO 49 1.137 -9.756 7.259
367 H CYS 50 H CYS 50 -2.509 -10.296 3.235
368 HA CYS 50 HA CYS 50 -3.381 -7.604 2.779
369 HB2 CYS 50 2HB CYS 50 -3.426 -8.298 0.331
370 HB3 CYS 50 1HB CYS 50 -1.838 -8.140 1.080
371 H THR 51 H THR 51 -5.215 -8.663 0.617
372 HA THR 51 HA THR 51 -7.504 -8.868 2.185
373 HB THR 51 HB THR 51 -8.380 -9.665 -0.170
374 HG1 THR 51 1HG THR 51 -6.298 -8.238 -1.205
375 HG21 THR 51 3HG2 THR 51 -8.655 -7.418 0.966
376 HG22 THR 51 1HG2 THR 51 -8.535 -7.396 -0.822
377 HG23 THR 51 2HG2 THR 51 -7.115 -7.019 0.124
378 H VAL 52 H VAL 52 -6.324 -11.125 -0.120
379 HA VAL 52 HA VAL 52 -7.927 -13.185 1.066
380 HB VAL 52 HB VAL 52 -7.404 -14.618 -0.803
381 HG11 VAL 52 1HG1 VAL 52 -8.037 -11.785 -1.602
382 HG12 VAL 52 2HG1 VAL 52 -9.191 -13.013 -1.075
383 HG13 VAL 52 3HG1 VAL 52 -8.333 -13.198 -2.609
384 HG21 VAL 52 3HG2 VAL 52 -5.984 -13.884 -2.665
385 HG22 VAL 52 1HG2 VAL 52 -5.042 -13.998 -1.180
386 HG23 VAL 52 2HG2 VAL 52 -5.566 -12.422 -1.790
387 H GLY 53 H GLY 53 -4.555 -12.484 1.152
388 HA2 GLY 53 2HA GLY 53 -4.229 -14.320 3.244
389 HA3 GLY 53 1HA GLY 53 -3.534 -14.912 1.728
390 H PHE 54 H PHE 54 -1.531 -14.418 1.359
391 HA PHE 54 HA PHE 54 -0.348 -12.203 2.895
392 HB2 PHE 54 2HB PHE 54 1.000 -14.737 1.939
393 HB3 PHE 54 1HB PHE 54 1.850 -13.371 2.659
394 HD1 PHE 54 1HD PHE 54 1.397 -12.750 5.017
395 HD2 PHE 54 2HD PHE 54 -0.134 -16.322 3.282
396 HE1 PHE 54 1HE PHE 54 0.985 -13.658 7.264
397 HE2 PHE 54 2HE PHE 54 -0.551 -17.236 5.527
398 HZ PHE 54 HZ PHE 54 0.009 -15.904 7.521
399 H CYS 55 H CYS 55 1.275 -11.013 1.902
400 HA CYS 55 HA CYS 55 0.672 -10.596 -0.916
401 HB2 CYS 55 2HB CYS 55 0.531 -8.780 0.790
402 HB3 CYS 55 1HB CYS 55 2.277 -8.983 0.989
403 H ASP 56 H ASP 56 2.180 -10.919 -2.503
404 HA ASP 56 HA ASP 56 4.851 -11.543 -1.544
405 HB2 ASP 56 2HB ASP 56 3.787 -13.310 -2.963
406 HB3 ASP 56 1HB ASP 56 3.652 -12.141 -4.275
407 H MET 57 H MET 57 6.618 -10.749 -3.075
408 HA MET 57 HA MET 57 6.401 -7.881 -3.154
409 HB2 MET 57 2HB MET 57 8.688 -9.677 -3.962
410 HB3 MET 57 1HB MET 57 8.777 -7.922 -3.917
411 HG2 MET 57 2HG MET 57 8.312 -7.970 -1.523
412 HG3 MET 57 1HG MET 57 8.239 -9.726 -1.572
413 HE1 MET 57 3HE MET 57 11.992 -10.595 -2.474
414 HE2 MET 57 1HE MET 57 10.706 -10.291 -3.642
415 HE3 MET 57 2HE MET 57 10.378 -11.246 -2.198
416 H ASN 58 H ASN 58 5.822 -10.322 -5.436
417 HA ASN 58 HA ASN 58 6.367 -8.625 -7.702
418 HB2 ASN 58 2HB ASN 58 5.661 -10.396 -9.120
419 HB3 ASN 58 1HB ASN 58 6.496 -11.150 -7.764
420 HD21 ASN 58 1HD2 ASN 58 5.247 -12.351 -6.257
421 HD22 ASN 58 2HD2 ASN 58 3.680 -12.928 -6.687
422 H GLY 59 H GLY 59 4.063 -8.691 -5.464
423 HA2 GLY 59 2HA GLY 59 2.480 -6.949 -5.274
424 HA3 GLY 59 1HA GLY 59 2.487 -6.792 -7.018
425 H LYS 60 H LYS 60 1.978 -9.764 -5.188
426 HA LYS 60 HA LYS 60 -0.894 -9.719 -5.786
427 HB2 LYS 60 2HB LYS 60 1.000 -11.863 -6.644
428 HB3 LYS 60 1HB LYS 60 -0.673 -12.235 -6.282
429 HG2 LYS 60 2HG LYS 60 -0.680 -11.955 -8.611
430 HG3 LYS 60 1HG LYS 60 -1.264 -10.416 -7.982
431 HD2 LYS 60 2HD LYS 60 1.156 -9.634 -8.125
432 HD3 LYS 60 1HD LYS 60 1.454 -11.075 -9.094
433 HE2 LYS 60 2HE LYS 60 1.063 -9.246 -10.576
434 HE3 LYS 60 1HE LYS 60 -0.353 -10.300 -10.635
435 HZ1 LYS 60 3HZ LYS 60 -1.525 -8.820 -9.172
436 HZ2 LYS 60 1HZ LYS 60 -0.943 -7.892 -10.433
437 HZ3 LYS 60 2HZ LYS 60 -0.208 -7.906 -8.892
438 H CYS 61 H CYS 61 -2.120 -11.136 -4.726
439 HA CYS 61 HA CYS 61 -1.142 -11.465 -2.002
440 HB2 CYS 61 2HB CYS 61 -2.938 -9.850 -2.684
441 HB3 CYS 61 1HB CYS 61 -3.884 -11.265 -3.118
442 H GLU 62 H GLU 62 -1.086 -13.423 -1.344
443 HA GLU 62 HA GLU 62 -1.969 -15.578 -3.036
444 HB2 GLU 62 2HB GLU 62 -0.011 -16.849 -2.214
445 HB3 GLU 62 1HB GLU 62 0.456 -15.278 -2.854
446 HG2 GLU 62 2HG GLU 62 0.427 -14.483 -0.410
447 HG3 GLU 62 1HG GLU 62 0.431 -16.189 0.002
Start of MODEL 16
1 H PHE 1 1HT PHE 1 4.578 2.840 6.128
2 HA PHE 1 HA PHE 1 6.024 3.062 3.567
3 HB2 PHE 1 2HB PHE 1 4.034 1.809 2.553
4 HB3 PHE 1 1HB PHE 1 5.246 0.862 3.409
5 HD1 PHE 1 1HD PHE 1 4.656 -0.132 5.596
6 HD2 PHE 1 2HD PHE 1 1.798 1.954 3.244
7 HE1 PHE 1 1HE PHE 1 2.841 -1.184 6.876
8 HE2 PHE 1 2HE PHE 1 -0.014 0.915 4.506
9 HZ PHE 1 HZ PHE 1 0.497 -0.661 6.334
10 H CYS 2 H CYS 2 2.983 3.885 5.169
11 HA CYS 2 HA CYS 2 2.882 6.133 3.343
12 HB2 CYS 2 2HB CYS 2 0.802 5.005 5.223
13 HB3 CYS 2 1HB CYS 2 0.557 6.398 4.183
14 H GLU 3 H GLU 3 3.087 5.039 6.573
15 HA GLU 3 HA GLU 3 2.360 7.146 8.173
16 HB2 GLU 3 2HB GLU 3 4.613 5.322 8.973
17 HB3 GLU 3 1HB GLU 3 3.360 6.017 9.975
18 HG2 GLU 3 2HG GLU 3 2.891 3.703 9.853
19 HG3 GLU 3 1HG GLU 3 1.733 4.468 8.765
20 H ARG 4 H ARG 4 5.781 6.301 7.692
21 HA ARG 4 HA ARG 4 6.484 8.783 8.800
22 HB2 ARG 4 2HB ARG 4 7.772 6.742 9.277
23 HB3 ARG 4 1HB ARG 4 8.197 6.597 7.590
24 HG2 ARG 4 2HG ARG 4 9.060 9.091 8.974
25 HG3 ARG 4 1HG ARG 4 9.843 7.603 9.474
26 HD2 ARG 4 2HD ARG 4 11.240 8.563 7.793
27 HD3 ARG 4 1HD ARG 4 10.414 7.222 7.020
28 HE ARG 4 HE ARG 4 9.078 9.722 6.659
29 HH11 ARG 4 1HH1 ARG 4 11.655 7.691 5.341
30 HH12 ARG 4 2HH1 ARG 4 11.598 8.366 3.778
31 HH21 ARG 4 1HH2 ARG 4 8.968 10.661 4.534
32 HH22 ARG 4 2HH2 ARG 4 9.990 10.137 3.299
33 H GLU 5 H GLU 5 6.457 7.180 5.749
34 HA GLU 5 HA GLU 5 7.983 8.855 4.287
35 HB2 GLU 5 2HB GLU 5 5.821 6.963 3.430
36 HB3 GLU 5 1HB GLU 5 7.050 7.662 2.378
37 HG2 GLU 5 2HG GLU 5 8.098 5.648 2.878
38 HG3 GLU 5 1HG GLU 5 8.651 6.712 4.178
39 H GLN 6 H GLN 6 4.367 8.927 4.519
40 HA GLN 6 HA GLN 6 4.553 11.438 2.961
41 HB2 GLN 6 2HB GLN 6 2.268 9.479 2.964
42 HB3 GLN 6 1HB GLN 6 2.435 10.907 1.966
43 HG2 GLN 6 2HG GLN 6 4.070 8.401 1.805
44 HG3 GLN 6 1HG GLN 6 2.746 8.890 0.728
45 HE21 GLN 6 1HE2 GLN 6 3.151 10.556 -0.790
46 HE22 GLN 6 2HE2 GLN 6 4.774 11.037 -1.166
47 H GLN 7 H GLN 7 3.947 10.025 5.879
48 HA GLN 7 HA GLN 7 2.956 10.368 7.598
49 HB2 GLN 7 2HB GLN 7 2.443 13.153 6.553
50 HB3 GLN 7 1HB GLN 7 2.157 12.682 8.229
51 HG2 GLN 7 2HG GLN 7 4.474 12.068 8.481
52 HG3 GLN 7 1HG GLN 7 4.772 12.459 6.794
53 HE21 GLN 7 1HE2 GLN 7 4.135 13.721 9.956
54 HE22 GLN 7 2HE2 GLN 7 4.571 15.368 9.606
55 H LEU 8 H LEU 8 1.603 9.360 5.394
56 HA LEU 8 HA LEU 8 -1.264 9.898 5.751
57 HB2 LEU 8 2HB LEU 8 0.353 8.347 3.764
58 HB3 LEU 8 1HB LEU 8 -1.394 8.203 3.915
59 HG LEU 8 HG LEU 8 -0.049 10.792 3.488
60 HD11 LEU 8 1HD1 LEU 8 0.604 9.315 1.564
61 HD12 LEU 8 2HD1 LEU 8 -0.587 10.496 1.023
62 HD13 LEU 8 3HD1 LEU 8 -1.087 8.845 1.374
63 HD21 LEU 8 3HD2 LEU 8 -2.259 11.411 2.526
64 HD22 LEU 8 1HD2 LEU 8 -2.318 10.942 4.226
65 HD23 LEU 8 2HD2 LEU 8 -2.843 9.810 2.985
66 H GLU 9 H GLU 9 -2.517 8.381 6.076
67 HA GLU 9 HA GLU 9 -1.618 6.386 8.014
68 HB2 GLU 9 2HB GLU 9 -3.794 7.756 8.201
69 HB3 GLU 9 1HB GLU 9 -4.334 6.724 6.875
70 HG2 GLU 9 2HG GLU 9 -4.075 4.758 8.290
71 HG3 GLU 9 1HG GLU 9 -3.626 5.808 9.641
72 H SER 10 H SER 10 -2.028 4.115 7.606
73 HA SER 10 HA SER 10 -1.596 3.342 4.930
74 HB2 SER 10 2HB SER 10 -1.297 1.260 6.050
75 HB3 SER 10 1HB SER 10 -0.476 2.681 6.829
76 HG SER 10 HG SER 10 -2.995 2.126 7.780
77 H CYS 11 H CYS 11 -2.968 1.750 3.892
78 HA CYS 11 HA CYS 11 -5.416 0.965 5.129
79 HB2 CYS 11 2HB CYS 11 -6.982 1.939 3.548
80 HB3 CYS 11 1HB CYS 11 -5.979 3.271 4.089
81 H ALA 12 H ALA 12 -6.597 -0.550 3.544
82 HA ALA 12 HA ALA 12 -4.638 -1.772 1.758
83 HB1 ALA 12 1HB ALA 12 -5.689 -3.938 2.287
84 HB2 ALA 12 2HB ALA 12 -6.750 -3.135 3.446
85 HB3 ALA 12 3HB ALA 12 -5.011 -3.186 3.731
86 H CYS 13 H CYS 13 -5.312 -1.867 -0.304
87 HA CYS 13 HA CYS 13 -7.809 -0.789 -1.077
88 HB2 CYS 13 2HB CYS 13 -5.721 -2.345 -2.635
89 HB3 CYS 13 1HB CYS 13 -7.058 -1.480 -3.319
90 H ASN 14 H ASN 14 -9.635 -1.622 -1.504
91 HA ASN 14 HA ASN 14 -10.502 -4.012 -0.380
92 HB2 ASN 14 2HB ASN 14 -11.858 -1.964 -1.081
93 HB3 ASN 14 1HB ASN 14 -11.824 -2.609 -2.707
94 HD21 ASN 14 1HD2 ASN 14 -12.254 -5.452 -1.721
95 HD22 ASN 14 2HD2 ASN 14 -13.915 -5.463 -1.241
96 H GLU 15 H GLU 15 -9.123 -3.427 -3.511
97 HA GLU 15 HA GLU 15 -10.066 -5.814 -4.531
98 HB2 GLU 15 2HB GLU 15 -9.584 -3.719 -5.927
99 HB3 GLU 15 1HB GLU 15 -7.886 -4.088 -5.690
100 HG2 GLU 15 2HG GLU 15 -9.785 -5.917 -7.125
101 HG3 GLU 15 1HG GLU 15 -8.753 -4.727 -7.914
102 H THR 16 H THR 16 -8.681 -7.673 -4.932
103 HA THR 16 HA THR 16 -7.209 -8.612 -2.832
104 HB THR 16 HB THR 16 -7.183 -9.442 -5.718
105 HG1 THR 16 1HG THR 16 -9.086 -10.004 -5.340
106 HG21 THR 16 3HG2 THR 16 -6.442 -11.044 -3.252
107 HG22 THR 16 1HG2 THR 16 -5.316 -10.396 -4.448
108 HG23 THR 16 2HG2 THR 16 -6.478 -11.649 -4.909
109 H ASP 17 H ASP 17 -5.784 -7.829 -5.989
110 HA ASP 17 HA ASP 17 -3.289 -8.233 -4.699
111 HB2 ASP 17 2HB ASP 17 -4.088 -7.657 -7.437
112 HB3 ASP 17 1HB ASP 17 -2.380 -7.557 -7.000
113 H ASN 18 H ASN 18 -5.311 -5.626 -5.548
114 HA ASN 18 HA ASN 18 -3.377 -3.621 -5.526
115 HB2 ASN 18 2HB ASN 18 -6.295 -3.622 -5.032
116 HB3 ASN 18 1HB ASN 18 -5.365 -2.202 -4.656
117 HD21 ASN 18 1HD2 ASN 18 -6.200 -4.361 -7.360
118 HD22 ASN 18 2HD2 ASN 18 -5.922 -3.179 -8.581
119 H SER 19 H SER 19 -4.525 -5.546 -3.094
120 HA SER 19 HA SER 19 -3.927 -3.760 -0.914
121 HB2 SER 19 2HB SER 19 -4.224 -6.778 -1.012
122 HB3 SER 19 1HB SER 19 -3.794 -5.963 0.476
123 HG SER 19 HG SER 19 -6.088 -5.211 -1.041
124 H CYS 20 H CYS 20 -1.993 -5.576 -3.086
125 HA CYS 20 HA CYS 20 0.177 -5.714 -1.218
126 HB2 CYS 20 2HB CYS 20 -0.218 -6.881 -3.911
127 HB3 CYS 20 1HB CYS 20 1.283 -7.076 -3.012
128 H LYS 21 H LYS 21 -0.759 -3.370 -3.270
129 HA LYS 21 HA LYS 21 1.915 -2.224 -2.868
130 HB2 LYS 21 2HB LYS 21 1.997 -1.500 -5.108
131 HB3 LYS 21 1HB LYS 21 0.790 -2.807 -5.212
132 HG2 LYS 21 2HG LYS 21 -0.218 -0.116 -4.586
133 HG3 LYS 21 1HG LYS 21 0.267 -0.452 -6.245
134 HD2 LYS 21 2HD LYS 21 -1.334 -2.126 -6.490
135 HD3 LYS 21 1HD LYS 21 -1.530 -2.312 -4.743
136 HE2 LYS 21 2HE LYS 21 -2.271 0.170 -6.263
137 HE3 LYS 21 1HE LYS 21 -3.406 -1.123 -5.865
138 HZ1 LYS 21 3HZ LYS 21 -2.891 -0.801 -3.529
139 HZ2 LYS 21 1HZ LYS 21 -3.511 0.612 -4.182
140 HZ3 LYS 21 2HZ LYS 21 -1.850 0.449 -3.863
141 H VAL 22 H VAL 22 2.165 -0.482 -2.300
142 HA VAL 22 HA VAL 22 0.829 -0.126 0.017
143 HB VAL 22 HB VAL 22 2.589 1.831 -1.449
144 HG11 VAL 22 1HG1 VAL 22 1.304 2.953 0.225
145 HG12 VAL 22 2HG1 VAL 22 2.987 2.782 0.767
146 HG13 VAL 22 3HG1 VAL 22 1.717 1.715 1.407
147 HG21 VAL 22 3HG2 VAL 22 3.237 -0.199 0.721
148 HG22 VAL 22 1HG2 VAL 22 4.373 0.824 -0.153
149 HG23 VAL 22 2HG2 VAL 22 3.493 -0.514 -0.962
150 H CYS 23 H CYS 23 -1.021 0.313 0.236
151 HA CYS 23 HA CYS 23 -2.241 2.624 -1.128
152 HB2 CYS 23 2HB CYS 23 -3.788 0.867 0.762
153 HB3 CYS 23 1HB CYS 23 -4.302 1.945 -0.547
154 H CYS 24 H CYS 24 -3.180 4.325 0.083
155 HA CYS 24 HA CYS 24 -2.326 4.551 2.853
156 HB2 CYS 24 2HB CYS 24 -1.892 6.631 0.690
157 HB3 CYS 24 1HB CYS 24 -1.622 6.883 2.405
158 H ARG 25 H ARG 25 -3.608 6.378 3.906
159 HA ARG 25 HA ARG 25 -6.255 6.190 2.713
160 HB2 ARG 25 2HB ARG 25 -5.583 5.021 4.986
161 HB3 ARG 25 1HB ARG 25 -5.702 6.657 5.597
162 HG2 ARG 25 2HG ARG 25 -7.984 5.651 4.058
163 HG3 ARG 25 1HG ARG 25 -7.740 4.986 5.672
164 HD2 ARG 25 2HD ARG 25 -7.952 7.927 4.974
165 HD3 ARG 25 1HD ARG 25 -9.257 6.935 5.632
166 HE ARG 25 HE ARG 25 -7.280 6.594 7.430
167 HH11 ARG 25 1HH1 ARG 25 -8.617 9.555 6.058
168 HH12 ARG 25 2HH1 ARG 25 -8.533 10.463 7.503
169 HH21 ARG 25 1HH2 ARG 25 -7.041 7.777 9.347
170 HH22 ARG 25 2HH2 ARG 25 -7.557 9.387 9.502
171 H ASP 26 H ASP 26 -7.268 8.005 2.288
172 HA ASP 26 HA ASP 26 -5.750 10.389 2.456
173 HB2 ASP 26 2HB ASP 26 -6.709 10.861 0.479
174 HB3 ASP 26 1HB ASP 26 -7.365 9.236 0.493
175 H LEU 27 H LEU 27 -7.001 12.194 2.742
176 HA LEU 27 HA LEU 27 -7.669 12.535 5.368
177 HB2 LEU 27 2HB LEU 27 -8.464 14.533 3.282
178 HB3 LEU 27 1HB LEU 27 -8.055 14.846 4.955
179 HG LEU 27 HG LEU 27 -5.731 13.806 4.106
180 HD11 LEU 27 1HD1 LEU 27 -6.814 15.201 1.676
181 HD12 LEU 27 2HD1 LEU 27 -6.547 13.479 1.818
182 HD13 LEU 27 3HD1 LEU 27 -5.170 14.590 1.883
183 HD21 LEU 27 3HD2 LEU 27 -4.928 16.121 3.861
184 HD22 LEU 27 1HD2 LEU 27 -5.993 15.941 5.255
185 HD23 LEU 27 2HD2 LEU 27 -6.598 16.680 3.773
186 H SER 28 H SER 28 -9.779 12.042 2.587
187 HA SER 28 HA SER 28 -12.095 12.853 3.986
188 HB2 SER 28 2HB SER 28 -11.669 11.633 1.285
189 HB3 SER 28 1HB SER 28 -13.216 12.304 1.846
190 HG SER 28 HG SER 28 -11.100 13.972 2.169
191 H GLY 29 H GLY 29 -10.146 10.248 4.020
192 HA2 GLY 29 2HA GLY 29 -10.372 8.570 5.255
193 HA3 GLY 29 1HA GLY 29 -12.149 8.652 5.267
194 H ARG 30 H ARG 30 -10.575 8.765 2.197
195 HA ARG 30 HA ARG 30 -11.645 6.157 1.543
196 HB2 ARG 30 2HB ARG 30 -10.325 8.288 -0.130
197 HB3 ARG 30 1HB ARG 30 -11.117 6.842 -0.743
198 HG2 ARG 30 2HG ARG 30 -13.235 7.606 -0.161
199 HG3 ARG 30 1HG ARG 30 -12.590 8.810 0.958
200 HD2 ARG 30 2HD ARG 30 -12.219 8.852 -2.023
201 HD3 ARG 30 1HD ARG 30 -13.433 9.789 -1.133
202 HE ARG 30 HE ARG 30 -10.844 10.244 -0.086
203 HH11 ARG 30 1HH1 ARG 30 -12.809 11.092 -2.898
204 HH12 ARG 30 2HH1 ARG 30 -12.071 12.613 -3.144
205 HH21 ARG 30 1HH2 ARG 30 -9.850 12.296 -0.384
206 HH22 ARG 30 2HH2 ARG 30 -10.309 13.339 -1.641
207 H CYS 31 H CYS 31 -10.322 4.604 0.481
208 HA CYS 31 HA CYS 31 -7.537 4.663 1.332
209 HB2 CYS 31 2HB CYS 31 -8.885 2.662 1.911
210 HB3 CYS 31 1HB CYS 31 -9.237 2.417 0.205
211 H VAL 32 H VAL 32 -5.911 4.861 -0.223
212 HA VAL 32 HA VAL 32 -6.786 4.802 -2.895
213 HB VAL 32 HB VAL 32 -5.862 6.902 -3.499
214 HG11 VAL 32 1HG1 VAL 32 -7.985 7.228 -2.462
215 HG12 VAL 32 2HG1 VAL 32 -6.933 8.615 -2.192
216 HG13 VAL 32 3HG1 VAL 32 -7.220 7.475 -0.886
217 HG21 VAL 32 3HG2 VAL 32 -4.544 8.365 -1.918
218 HG22 VAL 32 1HG2 VAL 32 -3.803 6.853 -2.461
219 HG23 VAL 32 2HG2 VAL 32 -4.473 6.956 -0.830
220 HA PRO 33 HA PRO 33 -2.658 2.985 -3.072
221 HB2 PRO 33 2HB PRO 33 -1.957 3.508 -5.685
222 HB3 PRO 33 1HB PRO 33 -3.098 2.237 -5.214
223 HG2 PRO 33 2HG PRO 33 -3.651 4.653 -6.657
224 HG3 PRO 33 1HG PRO 33 -4.749 3.323 -6.257
225 HD2 PRO 33 2HD PRO 33 -4.441 5.929 -4.892
226 HD3 PRO 33 1HD PRO 33 -5.780 4.757 -4.815
227 H TYR 34 H TYR 34 -0.532 3.703 -2.457
228 HA TYR 34 HA TYR 34 -0.154 6.472 -2.820
229 HB2 TYR 34 2HB TYR 34 0.800 6.079 -0.908
230 HB3 TYR 34 1HB TYR 34 1.345 4.431 -1.298
231 HD1 TYR 34 1HD TYR 34 2.164 8.065 -2.424
232 HD2 TYR 34 2HD TYR 34 3.651 4.201 -1.275
233 HE1 TYR 34 1HE TYR 34 4.324 8.804 -2.761
234 HE2 TYR 34 2HE TYR 34 5.943 5.066 -1.632
235 HH TYR 34 HH TYR 34 6.518 8.423 -2.437
236 H VAL 35 H VAL 35 0.456 7.477 -4.324
237 HA VAL 35 HA VAL 35 2.837 6.836 -5.707
238 HB VAL 35 HB VAL 35 1.046 8.406 -7.206
239 HG11 VAL 35 1HG1 VAL 35 2.485 5.965 -8.040
240 HG12 VAL 35 2HG1 VAL 35 3.079 7.607 -7.896
241 HG13 VAL 35 3HG1 VAL 35 1.825 7.244 -9.093
242 HG21 VAL 35 3HG2 VAL 35 -0.559 6.772 -8.109
243 HG22 VAL 35 1HG2 VAL 35 -0.736 6.950 -6.359
244 HG23 VAL 35 2HG2 VAL 35 0.091 5.534 -7.020
245 H ASP 36 H ASP 36 3.859 8.704 -5.448
246 HA ASP 36 HA ASP 36 2.298 11.145 -4.784
247 HB2 ASP 36 2HB ASP 36 4.394 12.032 -3.998
248 HB3 ASP 36 1HB ASP 36 3.976 10.501 -3.213
249 H ALA 37 H ALA 37 3.939 12.895 -5.477
250 HA ALA 37 HA ALA 37 2.211 13.014 -7.580
251 HB1 ALA 37 1HB ALA 37 2.640 15.409 -7.492
252 HB2 ALA 37 2HB ALA 37 4.072 15.021 -6.479
253 HB3 ALA 37 3HB ALA 37 2.450 14.550 -5.925
254 H GLU 38 H GLU 38 5.519 12.484 -7.040
255 HA GLU 38 HA GLU 38 6.452 13.000 -9.540
256 HB2 GLU 38 2HB GLU 38 7.383 11.583 -7.182
257 HB3 GLU 38 1HB GLU 38 8.503 11.959 -8.526
258 HG2 GLU 38 2HG GLU 38 8.952 13.852 -7.290
259 HG3 GLU 38 1HG GLU 38 7.329 14.358 -7.791
260 H GLN 39 H GLN 39 4.320 10.594 -8.339
261 HA GLN 39 HA GLN 39 3.550 8.892 -9.001
262 HB2 GLN 39 2HB GLN 39 5.328 9.568 -11.122
263 HB3 GLN 39 1HB GLN 39 4.398 8.038 -11.324
264 HG2 GLN 39 2HG GLN 39 2.353 9.420 -11.025
265 HG3 GLN 39 1HG GLN 39 3.376 10.844 -10.849
266 HE21 GLN 39 1HE2 GLN 39 4.345 11.697 -12.658
267 HE22 GLN 39 2HE2 GLN 39 3.874 11.259 -14.272
268 H LYS 40 H LYS 40 5.845 8.788 -7.141
269 HA LYS 40 HA LYS 40 7.267 6.403 -7.804
270 HB2 LYS 40 2HB LYS 40 6.758 7.724 -5.204
271 HB3 LYS 40 1HB LYS 40 7.923 6.400 -5.502
272 HG2 LYS 40 2HG LYS 40 9.087 7.922 -6.998
273 HG3 LYS 40 1HG LYS 40 7.961 9.216 -6.525
274 HD2 LYS 40 2HD LYS 40 8.750 8.377 -4.088
275 HD3 LYS 40 1HD LYS 40 10.215 8.005 -4.998
276 HE2 LYS 40 2HE LYS 40 10.403 10.221 -4.076
277 HE3 LYS 40 1HE LYS 40 10.222 10.345 -5.829
278 HZ1 LYS 40 3HZ LYS 40 7.832 10.778 -5.472
279 HZ2 LYS 40 1HZ LYS 40 8.704 11.960 -4.676
280 HZ3 LYS 40 2HZ LYS 40 7.980 10.644 -3.894
281 H ASN 41 H ASN 41 6.777 4.473 -7.177
282 HA ASN 41 HA ASN 41 4.167 4.097 -5.943
283 HB2 ASN 41 2HB ASN 41 5.449 2.950 -8.290
284 HB3 ASN 41 1HB ASN 41 4.318 1.884 -7.436
285 HD21 ASN 41 1HD2 ASN 41 4.705 4.652 -9.540
286 HD22 ASN 41 2HD2 ASN 41 3.025 4.874 -9.838
287 H LEU 42 H LEU 42 4.063 2.147 -4.620
288 HA LEU 42 HA LEU 42 6.604 0.704 -4.205
289 HB2 LEU 42 2HB LEU 42 4.698 1.580 -2.090
290 HB3 LEU 42 1HB LEU 42 6.055 0.521 -1.847
291 HG LEU 42 HG LEU 42 6.178 3.419 -2.576
292 HD11 LEU 42 1HD1 LEU 42 6.734 1.952 0.021
293 HD12 LEU 42 2HD1 LEU 42 5.235 2.756 -0.354
294 HD13 LEU 42 3HD1 LEU 42 6.732 3.715 -0.200
295 HD21 LEU 42 3HD2 LEU 42 8.570 3.197 -2.017
296 HD22 LEU 42 1HD2 LEU 42 8.135 2.153 -3.371
297 HD23 LEU 42 2HD2 LEU 42 8.348 1.467 -1.759
298 H PHE 43 H PHE 43 6.104 -1.452 -4.716
299 HA PHE 43 HA PHE 43 3.661 -2.468 -4.023
300 HB2 PHE 43 2HB PHE 43 4.626 -4.544 -4.931
301 HB3 PHE 43 1HB PHE 43 5.119 -3.089 -5.824
302 HD1 PHE 43 2HD PHE 43 7.352 -2.317 -5.937
303 HD2 PHE 43 1HD PHE 43 6.356 -5.781 -3.682
304 HE1 PHE 43 2HE PHE 43 9.733 -2.913 -5.813
305 HE2 PHE 43 1HE PHE 43 8.721 -6.385 -3.558
306 HZ PHE 43 HZ PHE 43 10.424 -4.952 -4.620
307 H LEU 44 H LEU 44 3.362 -3.950 -2.120
308 HA LEU 44 HA LEU 44 4.475 -3.102 0.123
309 HB2 LEU 44 2HB LEU 44 2.563 -5.109 -0.619
310 HB3 LEU 44 1HB LEU 44 3.513 -5.668 0.737
311 HG LEU 44 HG LEU 44 2.880 -3.576 1.956
312 HD11 LEU 44 1HD1 LEU 44 0.982 -3.206 -0.334
313 HD12 LEU 44 2HD1 LEU 44 2.350 -2.172 0.071
314 HD13 LEU 44 3HD1 LEU 44 0.981 -2.297 1.177
315 HD21 LEU 44 3HD2 LEU 44 0.608 -4.310 2.475
316 HD22 LEU 44 1HD2 LEU 44 1.735 -5.663 2.384
317 HD23 LEU 44 2HD2 LEU 44 0.623 -5.350 1.051
318 H ARG 45 H ARG 45 5.234 -5.107 1.774
319 HA ARG 45 HA ARG 45 7.562 -6.285 0.606
320 HB2 ARG 45 2HB ARG 45 6.535 -5.796 3.282
321 HB3 ARG 45 1HB ARG 45 8.042 -6.738 3.073
322 HG2 ARG 45 2HG ARG 45 7.459 -3.796 2.554
323 HG3 ARG 45 1HG ARG 45 8.584 -4.461 3.727
324 HD2 ARG 45 2HD ARG 45 9.967 -3.660 2.016
325 HD3 ARG 45 1HD ARG 45 9.853 -5.382 1.672
326 HE ARG 45 HE ARG 45 7.928 -4.513 0.105
327 HH11 ARG 45 1HH1 ARG 45 11.156 -3.136 0.557
328 HH12 ARG 45 2HH1 ARG 45 11.188 -2.334 -0.943
329 HH21 ARG 45 1HH2 ARG 45 7.921 -3.387 -1.892
330 HH22 ARG 45 2HH2 ARG 45 9.266 -2.493 -2.408
331 H LYS 46 H LYS 46 7.972 -8.585 1.493
332 HA LYS 46 HA LYS 46 5.656 -10.163 0.968
333 HB2 LYS 46 2HB LYS 46 7.094 -12.156 1.373
334 HB3 LYS 46 1HB LYS 46 7.736 -11.059 0.166
335 HG2 LYS 46 2HG LYS 46 9.392 -10.248 1.667
336 HG3 LYS 46 1HG LYS 46 8.627 -11.041 3.034
337 HD2 LYS 46 2HD LYS 46 10.679 -12.217 2.312
338 HD3 LYS 46 1HD LYS 46 9.255 -13.232 2.162
339 HE2 LYS 46 2HE LYS 46 10.201 -11.697 -0.230
340 HE3 LYS 46 1HE LYS 46 11.096 -13.124 0.267
341 HZ1 LYS 46 3HZ LYS 46 9.307 -13.529 -1.442
342 HZ2 LYS 46 1HZ LYS 46 8.147 -13.176 -0.337
343 HZ3 LYS 46 2HZ LYS 46 9.109 -14.478 -0.079
344 H GLY 47 H GLY 47 4.369 -11.242 2.133
345 HA2 GLY 47 2HA GLY 47 3.551 -12.493 3.888
346 HA3 GLY 47 1HA GLY 47 5.039 -12.184 4.790
347 H LYS 48 H LYS 48 3.075 -9.711 3.338
348 HA LYS 48 HA LYS 48 2.371 -8.765 5.995
349 HB2 LYS 48 2HB LYS 48 2.450 -7.637 3.276
350 HB3 LYS 48 1HB LYS 48 1.851 -6.672 4.646
351 HG2 LYS 48 2HG LYS 48 4.678 -7.730 4.205
352 HG3 LYS 48 1HG LYS 48 4.165 -6.082 3.905
353 HD2 LYS 48 2HD LYS 48 5.318 -5.995 5.966
354 HD3 LYS 48 1HD LYS 48 3.622 -5.971 6.413
355 HE2 LYS 48 2HE LYS 48 4.985 -7.388 7.877
356 HE3 LYS 48 1HE LYS 48 3.756 -8.348 7.098
357 HZ1 LYS 48 3HZ LYS 48 6.678 -8.272 6.503
358 HZ2 LYS 48 1HZ LYS 48 5.577 -9.021 5.456
359 HZ3 LYS 48 2HZ LYS 48 5.721 -9.570 7.007
360 HA PRO 49 HA PRO 49 -1.720 -10.412 5.539
361 HB2 PRO 49 2HB PRO 49 -2.507 -7.853 6.859
362 HB3 PRO 49 1HB PRO 49 -2.922 -9.521 7.312
363 HG2 PRO 49 2HG PRO 49 -1.139 -8.228 8.715
364 HG3 PRO 49 1HG PRO 49 -0.881 -9.932 8.286
365 HD2 PRO 49 2HD PRO 49 0.391 -7.500 7.124
366 HD3 PRO 49 1HD PRO 49 1.079 -9.102 7.472
367 H CYS 50 H CYS 50 -3.149 -10.341 3.927
368 HA CYS 50 HA CYS 50 -3.845 -7.864 2.748
369 HB2 CYS 50 2HB CYS 50 -2.112 -8.250 1.351
370 HB3 CYS 50 1HB CYS 50 -2.161 -10.016 1.502
371 H THR 51 H THR 51 -5.372 -8.779 0.743
372 HA THR 51 HA THR 51 -7.813 -9.343 1.868
373 HB THR 51 HB THR 51 -8.412 -9.896 -0.563
374 HG1 THR 51 1HG THR 51 -5.981 -8.882 -1.418
375 HG21 THR 51 3HG2 THR 51 -6.807 -7.412 -0.119
376 HG22 THR 51 1HG2 THR 51 -8.466 -7.598 0.493
377 HG23 THR 51 2HG2 THR 51 -8.151 -7.630 -1.250
378 H VAL 52 H VAL 52 -6.175 -11.408 -0.346
379 HA VAL 52 HA VAL 52 -7.736 -13.694 0.528
380 HB VAL 52 HB VAL 52 -6.925 -14.852 -1.443
381 HG11 VAL 52 1HG1 VAL 52 -8.871 -13.495 -1.700
382 HG12 VAL 52 2HG1 VAL 52 -7.880 -13.276 -3.151
383 HG13 VAL 52 3HG1 VAL 52 -7.897 -12.042 -1.886
384 HG21 VAL 52 3HG2 VAL 52 -4.626 -13.946 -1.580
385 HG22 VAL 52 1HG2 VAL 52 -5.257 -12.364 -2.011
386 HG23 VAL 52 2HG2 VAL 52 -5.465 -13.710 -3.107
387 H GLY 53 H GLY 53 -4.652 -12.500 1.218
388 HA2 GLY 53 2HA GLY 53 -4.033 -14.565 2.901
389 HA3 GLY 53 1HA GLY 53 -3.213 -14.812 1.344
390 H PHE 54 H PHE 54 -1.325 -13.984 1.149
391 HA PHE 54 HA PHE 54 -0.682 -11.600 2.717
392 HB2 PHE 54 2HB PHE 54 1.054 -14.024 2.262
393 HB3 PHE 54 1HB PHE 54 1.658 -12.514 2.933
394 HD1 PHE 54 1HD PHE 54 0.711 -11.710 5.120
395 HD2 PHE 54 2HD PHE 54 -0.017 -15.620 3.610
396 HE1 PHE 54 1HE PHE 54 0.064 -12.452 7.372
397 HE2 PHE 54 2HE PHE 54 -0.668 -16.371 5.860
398 HZ PHE 54 HZ PHE 54 -0.629 -14.786 7.745
399 H CYS 55 H CYS 55 1.009 -10.378 1.842
400 HA CYS 55 HA CYS 55 1.006 -10.344 -1.079
401 HB2 CYS 55 2HB CYS 55 2.053 -8.527 1.007
402 HB3 CYS 55 1HB CYS 55 2.285 -8.231 -0.710
403 H ASP 56 H ASP 56 2.728 -11.014 -2.228
404 HA ASP 56 HA ASP 56 5.211 -11.172 -0.663
405 HB2 ASP 56 2HB ASP 56 4.351 -13.316 -1.904
406 HB3 ASP 56 1HB ASP 56 5.045 -12.550 -3.338
407 H MET 57 H MET 57 7.141 -11.121 -2.655
408 HA MET 57 HA MET 57 7.328 -8.248 -2.892
409 HB2 MET 57 2HB MET 57 9.244 -10.381 -3.840
410 HB3 MET 57 1HB MET 57 9.595 -8.667 -3.723
411 HG2 MET 57 2HG MET 57 8.914 -10.460 -1.409
412 HG3 MET 57 1HG MET 57 10.545 -10.006 -1.882
413 HE1 MET 57 3HE MET 57 11.587 -7.599 -1.489
414 HE2 MET 57 1HE MET 57 10.630 -6.188 -1.055
415 HE3 MET 57 2HE MET 57 10.375 -6.989 -2.608
416 H ASN 58 H ASN 58 5.795 -10.353 -4.757
417 HA ASN 58 HA ASN 58 6.550 -9.236 -7.351
418 HB2 ASN 58 2HB ASN 58 5.946 -11.680 -7.062
419 HB3 ASN 58 1HB ASN 58 4.306 -11.179 -6.686
420 HD21 ASN 58 1HD2 ASN 58 2.973 -10.407 -8.399
421 HD22 ASN 58 2HD2 ASN 58 3.437 -10.639 -10.050
422 H GLY 59 H GLY 59 4.593 -8.451 -4.751
423 HA2 GLY 59 2HA GLY 59 2.976 -6.809 -4.456
424 HA3 GLY 59 1HA GLY 59 3.152 -6.390 -6.179
425 H LYS 60 H LYS 60 2.537 -9.535 -4.943
426 HA LYS 60 HA LYS 60 -0.323 -9.363 -5.613
427 HB2 LYS 60 2HB LYS 60 1.647 -11.431 -6.446
428 HB3 LYS 60 1HB LYS 60 -0.018 -11.857 -6.134
429 HG2 LYS 60 2HG LYS 60 -0.598 -10.020 -7.801
430 HG3 LYS 60 1HG LYS 60 1.094 -10.129 -8.318
431 HD2 LYS 60 2HD LYS 60 0.010 -11.645 -9.750
432 HD3 LYS 60 1HD LYS 60 0.630 -12.682 -8.472
433 HE2 LYS 60 2HE LYS 60 -2.235 -11.706 -8.804
434 HE3 LYS 60 1HE LYS 60 -1.654 -13.343 -9.039
435 HZ1 LYS 60 3HZ LYS 60 -1.130 -13.339 -6.561
436 HZ2 LYS 60 1HZ LYS 60 -2.767 -13.229 -6.931
437 HZ3 LYS 60 2HZ LYS 60 -1.992 -11.851 -6.499
438 H CYS 61 H CYS 61 -1.601 -10.665 -4.647
439 HA CYS 61 HA CYS 61 -0.727 -11.539 -2.026
440 HB2 CYS 61 2HB CYS 61 -2.668 -9.926 -2.864
441 HB3 CYS 61 1HB CYS 61 -3.379 -11.525 -3.151
442 H GLU 62 H GLU 62 -0.334 -13.697 -2.190
443 HA GLU 62 HA GLU 62 0.388 -15.374 -3.553
444 HB2 GLU 62 2HB GLU 62 -2.382 -15.644 -2.661
445 HB3 GLU 62 1HB GLU 62 -1.722 -16.995 -3.613
446 HG2 GLU 62 2HG GLU 62 -1.399 -17.530 -1.269
447 HG3 GLU 62 1HG GLU 62 0.147 -17.021 -1.958
Start of MODEL 17
1 H PHE 1 1HT PHE 1 6.877 5.331 3.069
2 HA PHE 1 HA PHE 1 5.468 3.866 1.814
3 HB2 PHE 1 2HB PHE 1 4.035 3.407 4.451
4 HB3 PHE 1 1HB PHE 1 3.571 2.745 2.900
5 HD1 PHE 1 1HD PHE 1 4.855 0.891 1.942
6 HD2 PHE 1 2HD PHE 1 5.679 2.588 5.699
7 HE1 PHE 1 1HE PHE 1 6.195 -1.110 2.500
8 HE2 PHE 1 2HE PHE 1 7.060 0.578 6.328
9 HZ PHE 1 HZ PHE 1 7.302 -1.265 4.700
10 H CYS 2 H CYS 2 3.711 5.080 4.573
11 HA CYS 2 HA CYS 2 2.754 7.194 2.818
12 HB2 CYS 2 2HB CYS 2 1.232 5.739 4.960
13 HB3 CYS 2 1HB CYS 2 0.610 7.142 4.096
14 H GLU 3 H GLU 3 3.876 6.376 5.939
15 HA GLU 3 HA GLU 3 3.191 8.536 7.475
16 HB2 GLU 3 2HB GLU 3 5.073 7.848 8.910
17 HB3 GLU 3 1HB GLU 3 3.984 6.507 8.522
18 HG2 GLU 3 2HG GLU 3 6.872 7.012 7.842
19 HG3 GLU 3 1HG GLU 3 6.115 5.551 8.452
20 H ARG 4 H ARG 4 6.478 8.094 6.292
21 HA ARG 4 HA ARG 4 7.037 10.789 6.726
22 HB2 ARG 4 2HB ARG 4 8.790 9.185 7.080
23 HB3 ARG 4 1HB ARG 4 8.654 8.582 5.442
24 HG2 ARG 4 2HG ARG 4 9.482 11.413 5.930
25 HG3 ARG 4 1HG ARG 4 10.660 10.108 6.110
26 HD2 ARG 4 2HD ARG 4 10.327 9.452 3.811
27 HD3 ARG 4 1HD ARG 4 8.995 10.588 3.637
28 HE ARG 4 HE ARG 4 11.390 11.878 4.392
29 HH11 ARG 4 1HH1 ARG 4 9.844 10.329 1.608
30 HH12 ARG 4 2HH1 ARG 4 10.446 11.365 0.433
31 HH21 ARG 4 1HH2 ARG 4 12.349 13.360 2.755
32 HH22 ARG 4 2HH2 ARG 4 11.954 13.147 1.109
33 H GLU 5 H GLU 5 6.122 8.909 4.039
34 HA GLU 5 HA GLU 5 6.999 10.608 1.952
35 HB2 GLU 5 2HB GLU 5 4.939 8.416 1.896
36 HB3 GLU 5 1HB GLU 5 5.614 9.202 0.480
37 HG2 GLU 5 2HG GLU 5 7.167 7.599 2.505
38 HG3 GLU 5 1HG GLU 5 6.659 7.027 0.922
39 H GLN 6 H GLN 6 3.702 10.229 3.412
40 HA GLN 6 HA GLN 6 2.844 12.534 1.744
41 HB2 GLN 6 2HB GLN 6 1.220 10.181 2.670
42 HB3 GLN 6 1HB GLN 6 0.659 11.514 1.686
43 HG2 GLN 6 2HG GLN 6 2.772 9.578 0.846
44 HG3 GLN 6 1HG GLN 6 1.035 9.374 0.541
45 HE21 GLN 6 1HE2 GLN 6 1.287 9.420 -1.653
46 HE22 GLN 6 2HE2 GLN 6 1.666 10.841 -2.536
47 H GLN 7 H GLN 7 3.501 11.374 4.762
48 HA GLN 7 HA GLN 7 2.932 11.567 6.737
49 HB2 GLN 7 2HB GLN 7 1.629 14.168 5.889
50 HB3 GLN 7 1HB GLN 7 1.969 13.748 7.567
51 HG2 GLN 7 2HG GLN 7 4.330 13.626 7.091
52 HG3 GLN 7 1HG GLN 7 4.022 13.942 5.391
53 HE21 GLN 7 1HE2 GLN 7 5.276 15.784 5.375
54 HE22 GLN 7 2HE2 GLN 7 4.804 17.254 6.170
55 H LEU 8 H LEU 8 1.233 10.202 4.997
56 HA LEU 8 HA LEU 8 -1.510 10.337 6.101
57 HB2 LEU 8 2HB LEU 8 -0.374 8.999 3.674
58 HB3 LEU 8 1HB LEU 8 -1.986 8.713 4.299
59 HG LEU 8 HG LEU 8 -0.967 11.375 3.496
60 HD11 LEU 8 1HD1 LEU 8 -2.329 11.042 1.392
61 HD12 LEU 8 2HD1 LEU 8 -2.632 9.379 1.905
62 HD13 LEU 8 3HD1 LEU 8 -0.993 9.896 1.515
63 HD21 LEU 8 3HD2 LEU 8 -2.837 11.521 4.995
64 HD22 LEU 8 1HD2 LEU 8 -3.750 10.357 4.032
65 HD23 LEU 8 2HD2 LEU 8 -3.387 11.950 3.378
66 H GLU 9 H GLU 9 -2.474 8.598 6.423
67 HA GLU 9 HA GLU 9 -1.088 6.706 8.167
68 HB2 GLU 9 2HB GLU 9 -3.426 7.764 8.523
69 HB3 GLU 9 1HB GLU 9 -3.875 6.665 7.213
70 HG2 GLU 9 2HG GLU 9 -3.357 4.755 8.571
71 HG3 GLU 9 1HG GLU 9 -2.870 5.816 9.902
72 H SER 10 H SER 10 -1.134 4.410 7.629
73 HA SER 10 HA SER 10 -1.119 3.872 4.839
74 HB2 SER 10 2HB SER 10 -0.036 1.908 5.615
75 HB3 SER 10 1HB SER 10 0.531 3.457 6.390
76 HG SER 10 HG SER 10 -1.439 2.141 7.761
77 H CYS 11 H CYS 11 -2.318 2.024 4.028
78 HA CYS 11 HA CYS 11 -4.182 0.644 5.662
79 HB2 CYS 11 2HB CYS 11 -5.520 2.798 5.188
80 HB3 CYS 11 1HB CYS 11 -5.338 2.423 3.472
81 H ALA 12 H ALA 12 -5.676 -0.567 3.815
82 HA ALA 12 HA ALA 12 -3.780 -1.515 1.796
83 HB1 ALA 12 1HB ALA 12 -5.608 -3.189 3.518
84 HB2 ALA 12 2HB ALA 12 -3.849 -3.132 3.634
85 HB3 ALA 12 3HB ALA 12 -4.619 -3.803 2.191
86 H CYS 13 H CYS 13 -4.686 -1.790 -0.174
87 HA CYS 13 HA CYS 13 -7.335 -0.763 -0.580
88 HB2 CYS 13 2HB CYS 13 -5.291 -1.903 -2.493
89 HB3 CYS 13 1HB CYS 13 -6.790 -1.147 -2.968
90 H ASN 14 H ASN 14 -9.127 -1.702 -0.828
91 HA ASN 14 HA ASN 14 -9.574 -4.319 0.027
92 HB2 ASN 14 2HB ASN 14 -11.241 -2.498 0.158
93 HB3 ASN 14 1HB ASN 14 -11.395 -2.540 -1.591
94 HD21 ASN 14 1HD2 ASN 14 -11.170 -5.429 0.478
95 HD22 ASN 14 2HD2 ASN 14 -12.782 -5.945 0.141
96 H GLU 15 H GLU 15 -8.966 -3.072 -3.138
97 HA GLU 15 HA GLU 15 -9.968 -5.181 -4.547
98 HB2 GLU 15 2HB GLU 15 -9.412 -2.911 -5.485
99 HB3 GLU 15 1HB GLU 15 -7.716 -3.313 -5.307
100 HG2 GLU 15 2HG GLU 15 -9.584 -4.833 -7.116
101 HG3 GLU 15 1HG GLU 15 -8.624 -3.452 -7.641
102 H THR 16 H THR 16 -8.746 -7.098 -5.312
103 HA THR 16 HA THR 16 -7.204 -8.318 -3.357
104 HB THR 16 HB THR 16 -7.543 -9.039 -6.253
105 HG1 THR 16 1HG THR 16 -9.204 -9.044 -4.256
106 HG21 THR 16 3HG2 THR 16 -6.501 -10.773 -3.975
107 HG22 THR 16 1HG2 THR 16 -5.475 -10.060 -5.215
108 HG23 THR 16 2HG2 THR 16 -6.691 -11.262 -5.655
109 H ASP 17 H ASP 17 -6.122 -6.972 -6.475
110 HA ASP 17 HA ASP 17 -3.504 -7.958 -5.924
111 HB2 ASP 17 2HB ASP 17 -4.501 -7.620 -8.216
112 HB3 ASP 17 1HB ASP 17 -4.247 -5.891 -7.894
113 H ASN 18 H ASN 18 -5.267 -4.955 -5.627
114 HA ASN 18 HA ASN 18 -2.948 -3.525 -5.063
115 HB2 ASN 18 2HB ASN 18 -5.826 -2.754 -5.151
116 HB3 ASN 18 1HB ASN 18 -4.649 -1.670 -4.421
117 HD21 ASN 18 1HD2 ASN 18 -5.550 -3.306 -7.403
118 HD22 ASN 18 2HD2 ASN 18 -4.688 -2.235 -8.443
119 H SER 19 H SER 19 -4.529 -5.684 -3.239
120 HA SER 19 HA SER 19 -4.331 -4.454 -0.675
121 HB2 SER 19 2HB SER 19 -3.867 -7.421 -1.164
122 HB3 SER 19 1HB SER 19 -4.631 -6.640 0.216
123 HG SER 19 HG SER 19 -6.026 -5.874 -1.785
124 H CYS 20 H CYS 20 -2.067 -5.932 -2.849
125 HA CYS 20 HA CYS 20 0.152 -5.859 -0.984
126 HB2 CYS 20 2HB CYS 20 -0.235 -6.817 -3.748
127 HB3 CYS 20 1HB CYS 20 1.388 -6.424 -3.202
128 H LYS 21 H LYS 21 -1.290 -3.377 -2.258
129 HA LYS 21 HA LYS 21 1.226 -1.989 -2.924
130 HB2 LYS 21 2HB LYS 21 -1.608 -1.294 -3.481
131 HB3 LYS 21 1HB LYS 21 -0.182 -0.449 -4.115
132 HG2 LYS 21 2HG LYS 21 -1.185 -3.187 -4.836
133 HG3 LYS 21 1HG LYS 21 -1.316 -1.751 -5.877
134 HD2 LYS 21 2HD LYS 21 1.202 -1.766 -5.891
135 HD3 LYS 21 1HD LYS 21 1.067 -3.271 -4.951
136 HE2 LYS 21 2HE LYS 21 -0.167 -2.885 -7.691
137 HE3 LYS 21 1HE LYS 21 1.395 -3.653 -7.426
138 HZ1 LYS 21 3HZ LYS 21 -0.657 -5.140 -7.650
139 HZ2 LYS 21 1HZ LYS 21 -1.087 -4.677 -6.130
140 HZ3 LYS 21 2HZ LYS 21 0.354 -5.516 -6.395
141 H VAL 22 H VAL 22 1.653 -0.357 -2.182
142 HA VAL 22 HA VAL 22 0.912 -0.165 0.521
143 HB VAL 22 HB VAL 22 2.741 1.446 -1.221
144 HG11 VAL 22 1HG1 VAL 22 3.594 2.292 0.968
145 HG12 VAL 22 2HG1 VAL 22 2.100 1.588 1.691
146 HG13 VAL 22 3HG1 VAL 22 1.984 2.819 0.434
147 HG21 VAL 22 3HG2 VAL 22 3.258 -0.951 -0.902
148 HG22 VAL 22 1HG2 VAL 22 3.262 -0.749 0.835
149 HG23 VAL 22 2HG2 VAL 22 4.491 0.072 -0.116
150 H CYS 23 H CYS 23 -0.894 0.499 0.724
151 HA CYS 23 HA CYS 23 -1.845 2.884 -0.700
152 HB2 CYS 23 2HB CYS 23 -3.526 1.061 0.998
153 HB3 CYS 23 1HB CYS 23 -4.034 2.294 -0.169
154 H CYS 24 H CYS 24 -2.677 4.647 0.367
155 HA CYS 24 HA CYS 24 -1.916 4.914 3.167
156 HB2 CYS 24 2HB CYS 24 -2.419 6.977 1.009
157 HB3 CYS 24 1HB CYS 24 -1.955 7.328 2.666
158 H ARG 25 H ARG 25 -3.536 6.595 4.246
159 HA ARG 25 HA ARG 25 -6.184 5.902 3.260
160 HB2 ARG 25 2HB ARG 25 -5.277 4.775 5.402
161 HB3 ARG 25 1HB ARG 25 -5.428 6.370 6.106
162 HG2 ARG 25 2HG ARG 25 -7.765 5.268 4.729
163 HG3 ARG 25 1HG ARG 25 -7.356 4.578 6.313
164 HD2 ARG 25 2HD ARG 25 -7.866 7.499 5.645
165 HD3 ARG 25 1HD ARG 25 -8.999 6.435 6.477
166 HE ARG 25 HE ARG 25 -6.834 6.271 8.044
167 HH11 ARG 25 1HH1 ARG 25 -8.392 9.138 6.674
168 HH12 ARG 25 2HH1 ARG 25 -8.134 10.124 8.040
169 HH21 ARG 25 1HH2 ARG 25 -6.386 7.577 9.861
170 HH22 ARG 25 2HH2 ARG 25 -6.907 9.188 9.966
171 H ASP 26 H ASP 26 -7.384 7.638 2.815
172 HA ASP 26 HA ASP 26 -6.020 10.161 3.134
173 HB2 ASP 26 2HB ASP 26 -7.004 10.791 1.143
174 HB3 ASP 26 1HB ASP 26 -6.938 9.051 0.891
175 H LEU 27 H LEU 27 -7.895 11.744 2.860
176 HA LEU 27 HA LEU 27 -8.782 12.185 5.431
177 HB2 LEU 27 2HB LEU 27 -10.106 14.056 4.273
178 HB3 LEU 27 1HB LEU 27 -8.348 14.218 4.491
179 HG LEU 27 HG LEU 27 -9.579 13.191 1.925
180 HD11 LEU 27 1HD1 LEU 27 -9.146 16.092 2.695
181 HD12 LEU 27 2HD1 LEU 27 -10.717 15.322 2.456
182 HD13 LEU 27 3HD1 LEU 27 -9.614 15.518 1.095
183 HD21 LEU 27 3HD2 LEU 27 -7.117 13.051 2.173
184 HD22 LEU 27 1HD2 LEU 27 -7.071 14.781 2.503
185 HD23 LEU 27 2HD2 LEU 27 -7.577 14.197 0.921
186 H SER 28 H SER 28 -10.369 11.187 2.518
187 HA SER 28 HA SER 28 -13.015 11.492 3.391
188 HB2 SER 28 2HB SER 28 -11.817 9.893 1.171
189 HB3 SER 28 1HB SER 28 -13.499 10.483 1.228
190 HG SER 28 HG SER 28 -11.085 11.718 0.701
191 H GLY 29 H GLY 29 -10.527 9.376 3.963
192 HA2 GLY 29 2HA GLY 29 -10.372 7.702 5.206
193 HA3 GLY 29 1HA GLY 29 -12.138 7.555 5.397
194 H ARG 30 H ARG 30 -10.263 7.573 2.400
195 HA ARG 30 HA ARG 30 -11.065 4.816 1.940
196 HB2 ARG 30 2HB ARG 30 -10.624 7.145 0.092
197 HB3 ARG 30 1HB ARG 30 -10.369 5.516 -0.498
198 HG2 ARG 30 2HG ARG 30 -12.576 6.305 -1.099
199 HG3 ARG 30 1HG ARG 30 -12.693 4.958 0.019
200 HD2 ARG 30 2HD ARG 30 -13.128 6.556 1.852
201 HD3 ARG 30 1HD ARG 30 -13.043 7.885 0.693
202 HE ARG 30 HE ARG 30 -14.856 6.242 -0.396
203 HH11 ARG 30 1HH1 ARG 30 -14.671 7.812 2.795
204 HH12 ARG 30 2HH1 ARG 30 -16.326 7.814 3.079
205 HH21 ARG 30 1HH2 ARG 30 -17.210 6.248 -0.013
206 HH22 ARG 30 2HH2 ARG 30 -17.825 6.899 1.431
207 H CYS 31 H CYS 31 -9.505 3.483 0.918
208 HA CYS 31 HA CYS 31 -6.815 4.172 1.770
209 HB2 CYS 31 2HB CYS 31 -7.942 1.477 0.978
210 HB3 CYS 31 1HB CYS 31 -6.405 1.780 1.790
211 H VAL 32 H VAL 32 -5.704 5.087 0.238
212 HA VAL 32 HA VAL 32 -6.217 4.357 -2.434
213 HB VAL 32 HB VAL 32 -5.045 6.649 -2.934
214 HG11 VAL 32 1HG1 VAL 32 -7.834 6.401 -1.821
215 HG12 VAL 32 2HG1 VAL 32 -7.270 6.026 -3.459
216 HG13 VAL 32 3HG1 VAL 32 -7.243 7.702 -2.883
217 HG21 VAL 32 3HG2 VAL 32 -6.160 7.223 -0.165
218 HG22 VAL 32 1HG2 VAL 32 -5.274 8.312 -1.220
219 HG23 VAL 32 2HG2 VAL 32 -4.455 6.920 -0.468
220 HA PRO 33 HA PRO 33 -2.089 2.696 -2.705
221 HB2 PRO 33 2HB PRO 33 -1.666 3.188 -5.399
222 HB3 PRO 33 1HB PRO 33 -2.599 1.808 -4.782
223 HG2 PRO 33 2HG PRO 33 -3.592 4.400 -5.849
224 HG3 PRO 33 1HG PRO 33 -4.236 2.762 -6.080
225 HD2 PRO 33 2HD PRO 33 -5.402 4.457 -4.340
226 HD3 PRO 33 1HD PRO 33 -5.266 2.718 -4.011
227 H TYR 34 H TYR 34 -0.151 3.674 -2.090
228 HA TYR 34 HA TYR 34 0.060 6.458 -2.408
229 HB2 TYR 34 2HB TYR 34 1.100 6.098 -0.542
230 HB3 TYR 34 1HB TYR 34 1.524 4.416 -0.893
231 HD1 TYR 34 1HD TYR 34 2.643 8.046 -1.799
232 HD2 TYR 34 2HD TYR 34 3.797 3.923 -1.171
233 HE1 TYR 34 1HE TYR 34 4.818 8.610 -2.074
234 HE2 TYR 34 2HE TYR 34 6.108 4.624 -1.453
235 HH TYR 34 HH TYR 34 7.183 7.621 -1.266
236 H VAL 35 H VAL 35 0.873 7.654 -3.836
237 HA VAL 35 HA VAL 35 3.223 6.968 -5.198
238 HB VAL 35 HB VAL 35 1.522 8.609 -6.713
239 HG11 VAL 35 1HG1 VAL 35 3.502 7.775 -7.491
240 HG12 VAL 35 2HG1 VAL 35 2.219 7.297 -8.608
241 HG13 VAL 35 3HG1 VAL 35 2.923 6.106 -7.491
242 HG21 VAL 35 3HG2 VAL 35 -0.142 7.063 -7.658
243 HG22 VAL 35 1HG2 VAL 35 -0.324 7.247 -5.909
244 HG23 VAL 35 2HG2 VAL 35 0.431 5.788 -6.564
245 H ASP 36 H ASP 36 4.337 8.891 -5.064
246 HA ASP 36 HA ASP 36 2.869 11.300 -4.099
247 HB2 ASP 36 2HB ASP 36 4.949 11.965 -3.207
248 HB3 ASP 36 1HB ASP 36 4.677 10.304 -2.665
249 H ALA 37 H ALA 37 4.376 12.972 -4.603
250 HA ALA 37 HA ALA 37 2.870 13.400 -6.757
251 HB1 ALA 37 1HB ALA 37 3.618 15.702 -6.518
252 HB2 ALA 37 2HB ALA 37 4.983 15.046 -5.549
253 HB3 ALA 37 3HB ALA 37 3.315 14.770 -5.007
254 H GLU 38 H GLU 38 6.093 12.375 -6.258
255 HA GLU 38 HA GLU 38 7.185 13.073 -8.656
256 HB2 GLU 38 2HB GLU 38 7.888 11.394 -6.375
257 HB3 GLU 38 1HB GLU 38 9.068 11.695 -7.674
258 HG2 GLU 38 2HG GLU 38 7.870 13.626 -5.665
259 HG3 GLU 38 1HG GLU 38 9.559 13.155 -5.808
260 H GLN 39 H GLN 39 4.818 10.730 -7.753
261 HA GLN 39 HA GLN 39 3.927 9.119 -8.617
262 HB2 GLN 39 2HB GLN 39 5.883 9.834 -10.569
263 HB3 GLN 39 1HB GLN 39 4.826 8.428 -10.970
264 HG2 GLN 39 2HG GLN 39 2.908 9.968 -10.702
265 HG3 GLN 39 1HG GLN 39 4.027 11.258 -10.260
266 HE21 GLN 39 1HE2 GLN 39 5.240 12.221 -11.852
267 HE22 GLN 39 2HE2 GLN 39 4.886 12.038 -13.542
268 H LYS 40 H LYS 40 6.127 8.833 -6.743
269 HA LYS 40 HA LYS 40 7.375 6.327 -7.406
270 HB2 LYS 40 2HB LYS 40 7.247 7.916 -4.888
271 HB3 LYS 40 1HB LYS 40 8.204 6.434 -5.238
272 HG2 LYS 40 2HG LYS 40 9.580 7.574 -6.762
273 HG3 LYS 40 1HG LYS 40 8.310 8.808 -6.899
274 HD2 LYS 40 2HD LYS 40 10.589 9.406 -5.663
275 HD3 LYS 40 1HD LYS 40 9.051 10.040 -5.123
276 HE2 LYS 40 2HE LYS 40 10.205 7.533 -3.928
277 HE3 LYS 40 1HE LYS 40 10.720 9.126 -3.376
278 HZ1 LYS 40 3HZ LYS 40 8.002 7.919 -3.158
279 HZ2 LYS 40 1HZ LYS 40 8.242 9.573 -3.079
280 HZ3 LYS 40 2HZ LYS 40 8.918 8.569 -1.936
281 H ASN 41 H ASN 41 6.718 4.483 -6.733
282 HA ASN 41 HA ASN 41 4.225 4.318 -5.202
283 HB2 ASN 41 2HB ASN 41 4.134 3.923 -7.717
284 HB3 ASN 41 1HB ASN 41 5.223 2.585 -7.359
285 HD21 ASN 41 1HD2 ASN 41 2.429 3.426 -5.316
286 HD22 ASN 41 2HD2 ASN 41 1.564 1.980 -5.671
287 H LEU 42 H LEU 42 4.120 1.760 -4.695
288 HA LEU 42 HA LEU 42 6.652 0.502 -4.079
289 HB2 LEU 42 2HB LEU 42 4.742 1.315 -1.923
290 HB3 LEU 42 1HB LEU 42 6.010 0.136 -1.720
291 HG LEU 42 HG LEU 42 6.413 3.034 -2.325
292 HD11 LEU 42 1HD1 LEU 42 6.973 3.205 0.075
293 HD12 LEU 42 2HD1 LEU 42 6.686 1.470 0.255
294 HD13 LEU 42 3HD1 LEU 42 5.342 2.537 -0.138
295 HD21 LEU 42 3HD2 LEU 42 8.281 1.632 -3.061
296 HD22 LEU 42 1HD2 LEU 42 8.340 0.861 -1.475
297 HD23 LEU 42 2HD2 LEU 42 8.746 2.569 -1.641
298 H PHE 43 H PHE 43 6.384 -1.713 -3.776
299 HA PHE 43 HA PHE 43 3.769 -2.695 -3.910
300 HB2 PHE 43 2HB PHE 43 6.500 -3.788 -4.322
301 HB3 PHE 43 1HB PHE 43 5.066 -4.835 -4.424
302 HD1 PHE 43 2HD PHE 43 3.369 -4.213 -6.269
303 HD2 PHE 43 1HD PHE 43 7.322 -2.642 -6.129
304 HE1 PHE 43 2HE PHE 43 3.215 -3.608 -8.653
305 HE2 PHE 43 1HE PHE 43 7.170 -2.034 -8.505
306 HZ PHE 43 HZ PHE 43 5.116 -2.517 -9.769
307 H LEU 44 H LEU 44 3.187 -4.123 -2.064
308 HA LEU 44 HA LEU 44 4.536 -3.555 0.173
309 HB2 LEU 44 2HB LEU 44 2.021 -4.243 -0.148
310 HB3 LEU 44 1HB LEU 44 2.723 -5.859 -0.052
311 HG LEU 44 HG LEU 44 3.413 -5.568 2.206
312 HD11 LEU 44 1HD1 LEU 44 4.012 -3.210 2.171
313 HD12 LEU 44 2HD1 LEU 44 2.880 -3.546 3.478
314 HD13 LEU 44 3HD1 LEU 44 2.314 -2.769 2.001
315 HD21 LEU 44 3HD2 LEU 44 1.124 -6.315 1.816
316 HD22 LEU 44 1HD2 LEU 44 0.571 -4.639 1.805
317 HD23 LEU 44 2HD2 LEU 44 1.231 -5.341 3.282
318 H ARG 45 H ARG 45 5.021 -5.820 1.566
319 HA ARG 45 HA ARG 45 6.721 -7.354 -0.147
320 HB2 ARG 45 2HB ARG 45 6.902 -6.307 2.479
321 HB3 ARG 45 1HB ARG 45 7.983 -7.709 2.130
322 HG2 ARG 45 2HG ARG 45 8.756 -6.332 0.120
323 HG3 ARG 45 1HG ARG 45 7.851 -4.982 0.789
324 HD2 ARG 45 2HD ARG 45 9.271 -4.984 2.757
325 HD3 ARG 45 1HD ARG 45 10.130 -6.406 2.158
326 HE ARG 45 HE ARG 45 10.181 -4.435 0.210
327 HH11 ARG 45 1HH1 ARG 45 11.609 -5.037 3.391
328 HH12 ARG 45 2HH1 ARG 45 13.023 -4.135 3.127
329 HH21 ARG 45 1HH2 ARG 45 12.134 -3.173 -0.197
330 HH22 ARG 45 2HH2 ARG 45 13.333 -3.025 0.996
331 H LYS 46 H LYS 46 7.333 -9.544 0.702
332 HA LYS 46 HA LYS 46 4.990 -11.060 0.624
333 HB2 LYS 46 2HB LYS 46 7.102 -11.781 -0.427
334 HB3 LYS 46 1HB LYS 46 7.756 -12.140 1.166
335 HG2 LYS 46 2HG LYS 46 6.061 -13.840 1.514
336 HG3 LYS 46 1HG LYS 46 5.298 -13.449 -0.015
337 HD2 LYS 46 2HD LYS 46 7.454 -14.088 -1.137
338 HD3 LYS 46 1HD LYS 46 8.012 -14.676 0.433
339 HE2 LYS 46 2HE LYS 46 7.093 -16.518 -0.891
340 HE3 LYS 46 1HE LYS 46 6.100 -16.218 0.531
341 HZ1 LYS 46 3HZ LYS 46 5.473 -15.173 -2.192
342 HZ2 LYS 46 1HZ LYS 46 4.501 -15.039 -0.846
343 HZ3 LYS 46 2HZ LYS 46 4.674 -16.511 -1.465
344 H GLY 47 H GLY 47 3.908 -12.281 1.865
345 HA2 GLY 47 2HA GLY 47 3.124 -13.440 3.613
346 HA3 GLY 47 1HA GLY 47 4.631 -13.152 4.518
347 H LYS 48 H LYS 48 2.652 -10.662 3.070
348 HA LYS 48 HA LYS 48 1.872 -9.843 5.758
349 HB2 LYS 48 2HB LYS 48 2.499 -8.501 3.241
350 HB3 LYS 48 1HB LYS 48 1.341 -7.633 4.276
351 HG2 LYS 48 2HG LYS 48 3.681 -6.834 4.631
352 HG3 LYS 48 1HG LYS 48 3.061 -7.616 6.087
353 HD2 LYS 48 2HD LYS 48 4.161 -9.723 5.304
354 HD3 LYS 48 1HD LYS 48 4.896 -8.791 4.016
355 HE2 LYS 48 2HE LYS 48 6.183 -7.544 5.570
356 HE3 LYS 48 1HE LYS 48 5.276 -8.212 6.937
357 HZ1 LYS 48 3HZ LYS 48 7.451 -9.356 6.556
358 HZ2 LYS 48 1HZ LYS 48 6.847 -9.882 5.054
359 HZ3 LYS 48 2HZ LYS 48 6.097 -10.372 6.462
360 HA PRO 49 HA PRO 49 -2.279 -10.941 4.994
361 HB2 PRO 49 2HB PRO 49 -3.313 -8.434 6.131
362 HB3 PRO 49 1HB PRO 49 -3.455 -10.089 6.758
363 HG2 PRO 49 2HG PRO 49 -1.912 -8.297 7.967
364 HG3 PRO 49 1HG PRO 49 -1.466 -10.014 7.875
365 HD2 PRO 49 2HD PRO 49 -0.444 -7.727 6.246
366 HD3 PRO 49 1HD PRO 49 0.438 -9.088 6.974
367 H CYS 50 H CYS 50 -3.178 -10.979 3.059
368 HA CYS 50 HA CYS 50 -3.811 -8.492 1.760
369 HB2 CYS 50 2HB CYS 50 -3.223 -11.224 0.671
370 HB3 CYS 50 1HB CYS 50 -4.277 -10.134 -0.218
371 H THR 51 H THR 51 -5.746 -9.122 0.143
372 HA THR 51 HA THR 51 -8.126 -9.422 1.527
373 HB THR 51 HB THR 51 -8.759 -9.802 -1.022
374 HG1 THR 51 1HG THR 51 -6.472 -8.503 -1.694
375 HG21 THR 51 3HG2 THR 51 -8.895 -7.638 0.399
376 HG22 THR 51 1HG2 THR 51 -8.617 -7.441 -1.361
377 HG23 THR 51 2HG2 THR 51 -7.257 -7.360 -0.284
378 H VAL 52 H VAL 52 -6.522 -11.302 -0.807
379 HA VAL 52 HA VAL 52 -8.166 -13.645 -0.426
380 HB VAL 52 HB VAL 52 -6.970 -14.587 -2.373
381 HG11 VAL 52 1HG1 VAL 52 -7.782 -12.809 -3.963
382 HG12 VAL 52 2HG1 VAL 52 -8.078 -11.782 -2.543
383 HG13 VAL 52 3HG1 VAL 52 -8.949 -13.299 -2.735
384 HG21 VAL 52 3HG2 VAL 52 -5.361 -13.141 -3.621
385 HG22 VAL 52 1HG2 VAL 52 -4.743 -13.508 -2.014
386 HG23 VAL 52 2HG2 VAL 52 -5.463 -11.940 -2.363
387 H GLY 53 H GLY 53 -5.180 -12.719 0.899
388 HA2 GLY 53 2HA GLY 53 -4.853 -14.849 2.471
389 HA3 GLY 53 1HA GLY 53 -3.987 -15.277 0.984
390 H PHE 54 H PHE 54 -1.963 -14.578 0.783
391 HA PHE 54 HA PHE 54 -1.085 -12.507 2.668
392 HB2 PHE 54 2HB PHE 54 0.504 -14.873 1.631
393 HB3 PHE 54 1HB PHE 54 1.236 -13.567 2.558
394 HD1 PHE 54 2HD PHE 54 0.510 -13.194 4.906
395 HD2 PHE 54 1HD PHE 54 -0.634 -16.637 2.681
396 HE1 PHE 54 2HE PHE 54 -0.051 -14.355 7.001
397 HE2 PHE 54 1HE PHE 54 -1.201 -17.803 4.773
398 HZ PHE 54 HZ PHE 54 -0.908 -16.662 6.937
399 H CYS 55 H CYS 55 0.891 -11.442 1.883
400 HA CYS 55 HA CYS 55 0.465 -10.588 -0.891
401 HB2 CYS 55 2HB CYS 55 0.343 -8.932 0.979
402 HB3 CYS 55 1HB CYS 55 2.026 -9.308 1.343
403 H ASP 56 H ASP 56 2.169 -10.885 -2.390
404 HA ASP 56 HA ASP 56 4.518 -12.083 -1.213
405 HB2 ASP 56 2HB ASP 56 3.500 -13.362 -3.085
406 HB3 ASP 56 1HB ASP 56 3.684 -11.966 -4.142
407 H MET 57 H MET 57 6.714 -11.391 -2.526
408 HA MET 57 HA MET 57 7.187 -8.744 -1.837
409 HB2 MET 57 2HB MET 57 8.642 -10.704 -1.549
410 HB3 MET 57 1HB MET 57 8.699 -10.890 -3.291
411 HG2 MET 57 2HG MET 57 10.614 -9.891 -2.777
412 HG3 MET 57 1HG MET 57 9.509 -8.618 -3.364
413 HE1 MET 57 3HE MET 57 9.658 -10.325 0.219
414 HE2 MET 57 1HE MET 57 10.686 -9.195 1.095
415 HE3 MET 57 2HE MET 57 11.351 -10.139 -0.238
416 H ASN 58 H ASN 58 6.309 -10.562 -4.682
417 HA ASN 58 HA ASN 58 7.152 -8.798 -6.722
418 HB2 ASN 58 2HB ASN 58 6.566 -11.118 -7.185
419 HB3 ASN 58 1HB ASN 58 4.922 -10.849 -6.633
420 HD21 ASN 58 1HD2 ASN 58 7.206 -10.314 -9.184
421 HD22 ASN 58 2HD2 ASN 58 6.047 -9.833 -10.384
422 H GLY 59 H GLY 59 4.588 -8.650 -4.465
423 HA2 GLY 59 2HA GLY 59 3.307 -6.721 -4.105
424 HA3 GLY 59 1HA GLY 59 3.595 -6.254 -5.779
425 H LYS 60 H LYS 60 2.609 -9.445 -4.875
426 HA LYS 60 HA LYS 60 -0.243 -9.069 -5.665
427 HB2 LYS 60 2HB LYS 60 1.676 -11.088 -6.715
428 HB3 LYS 60 1HB LYS 60 -0.075 -11.163 -6.899
429 HG2 LYS 60 2HG LYS 60 -0.065 -9.104 -8.005
430 HG3 LYS 60 1HG LYS 60 1.707 -8.992 -7.998
431 HD2 LYS 60 2HD LYS 60 1.215 -9.851 -10.166
432 HD3 LYS 60 1HD LYS 60 1.579 -11.300 -9.229
433 HE2 LYS 60 2HE LYS 60 -0.400 -11.679 -10.555
434 HE3 LYS 60 1HE LYS 60 -0.854 -11.613 -8.853
435 HZ1 LYS 60 3HZ LYS 60 -1.120 -9.360 -10.778
436 HZ2 LYS 60 1HZ LYS 60 -1.555 -9.306 -9.171
437 HZ3 LYS 60 2HZ LYS 60 -2.409 -10.298 -10.201
438 H CYS 61 H CYS 61 -1.537 -10.359 -5.062
439 HA CYS 61 HA CYS 61 -0.839 -11.289 -2.438
440 HB2 CYS 61 2HB CYS 61 -3.181 -10.503 -3.958
441 HB3 CYS 61 1HB CYS 61 -3.476 -11.363 -2.400
442 H GLU 62 H GLU 62 -0.852 -13.339 -1.840
443 HA GLU 62 HA GLU 62 -1.376 -15.334 -3.816
444 HB2 GLU 62 2HB GLU 62 0.338 -16.675 -2.595
445 HB3 GLU 62 1HB GLU 62 0.962 -15.120 -3.129
446 HG2 GLU 62 2HG GLU 62 0.593 -14.265 -0.791
447 HG3 GLU 62 1HG GLU 62 0.222 -15.917 -0.322
Start of MODEL 18
1 H PHE 1 1HT PHE 1 5.810 4.263 6.093
2 HA PHE 1 HA PHE 1 5.768 3.367 4.090
3 HB2 PHE 1 2HB PHE 1 3.721 2.121 3.274
4 HB3 PHE 1 1HB PHE 1 4.877 1.197 4.230
5 HD1 PHE 1 1HD PHE 1 4.228 0.600 6.583
6 HD2 PHE 1 2HD PHE 1 1.486 2.369 3.853
7 HE1 PHE 1 1HE PHE 1 2.348 -0.198 7.954
8 HE2 PHE 1 2HE PHE 1 -0.380 1.583 5.204
9 HZ PHE 1 HZ PHE 1 0.039 0.296 7.267
10 H CYS 2 H CYS 2 2.890 4.521 5.732
11 HA CYS 2 HA CYS 2 2.966 6.638 3.753
12 HB2 CYS 2 2HB CYS 2 0.643 5.650 5.407
13 HB3 CYS 2 1HB CYS 2 0.584 7.089 4.398
14 H GLU 3 H GLU 3 3.075 5.747 7.034
15 HA GLU 3 HA GLU 3 2.376 7.930 8.532
16 HB2 GLU 3 2HB GLU 3 4.740 6.212 9.255
17 HB3 GLU 3 1HB GLU 3 3.593 6.983 10.327
18 HG2 GLU 3 2HG GLU 3 3.095 4.703 10.433
19 HG3 GLU 3 1HG GLU 3 1.864 5.375 9.355
20 H ARG 4 H ARG 4 5.710 7.150 7.637
21 HA ARG 4 HA ARG 4 6.393 9.782 8.409
22 HB2 ARG 4 2HB ARG 4 7.859 8.308 9.435
23 HB3 ARG 4 1HB ARG 4 7.961 7.273 8.034
24 HG2 ARG 4 2HG ARG 4 10.071 8.504 8.729
25 HG3 ARG 4 1HG ARG 4 9.623 8.610 7.036
26 HD2 ARG 4 2HD ARG 4 10.453 10.739 8.048
27 HD3 ARG 4 1HD ARG 4 8.873 10.844 7.292
28 HE ARG 4 HE ARG 4 9.158 10.546 10.196
29 HH11 ARG 4 1HH1 ARG 4 7.821 12.230 7.360
30 HH12 ARG 4 2HH1 ARG 4 7.084 13.478 8.233
31 HH21 ARG 4 1HH2 ARG 4 8.067 12.323 11.454
32 HH22 ARG 4 2HH2 ARG 4 7.224 13.525 10.587
33 H GLU 5 H GLU 5 6.426 7.710 5.660
34 HA GLU 5 HA GLU 5 7.853 9.223 3.903
35 HB2 GLU 5 2HB GLU 5 5.691 7.195 3.385
36 HB3 GLU 5 1HB GLU 5 6.914 7.723 2.235
37 HG2 GLU 5 2HG GLU 5 7.915 5.772 2.998
38 HG3 GLU 5 1HG GLU 5 8.547 6.981 4.126
39 H GLN 6 H GLN 6 4.324 9.412 4.638
40 HA GLN 6 HA GLN 6 4.200 11.698 2.751
41 HB2 GLN 6 2HB GLN 6 2.080 9.676 3.415
42 HB3 GLN 6 1HB GLN 6 1.880 11.072 2.374
43 HG2 GLN 6 2HG GLN 6 3.807 8.877 1.890
44 HG3 GLN 6 1HG GLN 6 2.136 8.894 1.267
45 HE21 GLN 6 1HE2 GLN 6 5.332 10.343 0.951
46 HE22 GLN 6 2HE2 GLN 6 4.987 11.154 -0.524
47 H GLN 7 H GLN 7 3.849 10.532 5.930
48 HA GLN 7 HA GLN 7 2.864 10.935 7.629
49 HB2 GLN 7 2HB GLN 7 2.796 13.743 6.580
50 HB3 GLN 7 1HB GLN 7 2.174 13.358 8.188
51 HG2 GLN 7 2HG GLN 7 4.285 12.386 8.803
52 HG3 GLN 7 1HG GLN 7 4.902 12.698 7.188
53 HE21 GLN 7 1HE2 GLN 7 2.869 14.974 8.844
54 HE22 GLN 7 2HE2 GLN 7 4.083 16.169 9.144
55 H LEU 8 H LEU 8 1.399 9.996 5.519
56 HA LEU 8 HA LEU 8 -1.398 10.765 6.008
57 HB2 LEU 8 2HB LEU 8 -0.061 9.034 3.957
58 HB3 LEU 8 1HB LEU 8 -1.795 9.074 4.229
59 HG LEU 8 HG LEU 8 -0.229 11.493 3.632
60 HD11 LEU 8 1HD1 LEU 8 -1.633 9.609 1.678
61 HD12 LEU 8 2HD1 LEU 8 0.107 9.889 1.744
62 HD13 LEU 8 3HD1 LEU 8 -0.977 11.182 1.222
63 HD21 LEU 8 3HD2 LEU 8 -3.150 10.822 3.340
64 HD22 LEU 8 1HD2 LEU 8 -2.416 12.340 2.829
65 HD23 LEU 8 2HD2 LEU 8 -2.416 11.894 4.533
66 H GLU 9 H GLU 9 -2.734 9.346 6.424
67 HA GLU 9 HA GLU 9 -1.932 7.418 8.434
68 HB2 GLU 9 2HB GLU 9 -4.076 8.791 8.486
69 HB3 GLU 9 1HB GLU 9 -4.605 7.744 7.167
70 HG2 GLU 9 2HG GLU 9 -4.443 5.809 8.648
71 HG3 GLU 9 1HG GLU 9 -4.009 6.889 9.980
72 H SER 10 H SER 10 -2.348 5.144 8.179
73 HA SER 10 HA SER 10 -1.814 4.189 5.569
74 HB2 SER 10 2HB SER 10 -1.377 2.252 6.845
75 HB3 SER 10 1HB SER 10 -0.662 3.786 7.513
76 HG SER 10 HG SER 10 -3.138 3.095 8.508
77 H CYS 11 H CYS 11 -3.078 2.479 4.645
78 HA CYS 11 HA CYS 11 -5.276 1.387 6.004
79 HB2 CYS 11 2HB CYS 11 -6.378 3.563 5.042
80 HB3 CYS 11 1HB CYS 11 -5.989 2.894 3.453
81 H ALA 12 H ALA 12 -6.458 -0.004 4.074
82 HA ALA 12 HA ALA 12 -4.271 -1.146 2.509
83 HB1 ALA 12 1HB ALA 12 -5.142 -3.391 3.060
84 HB2 ALA 12 2HB ALA 12 -6.302 -2.639 4.163
85 HB3 ALA 12 3HB ALA 12 -4.574 -2.530 4.495
86 H CYS 13 H CYS 13 -4.885 -1.621 0.436
87 HA CYS 13 HA CYS 13 -7.489 -0.826 -0.330
88 HB2 CYS 13 2HB CYS 13 -5.174 -2.012 -1.887
89 HB3 CYS 13 1HB CYS 13 -6.622 -1.357 -2.602
90 H ASN 14 H ASN 14 -9.188 -2.044 -0.426
91 HA ASN 14 HA ASN 14 -9.332 -4.681 0.511
92 HB2 ASN 14 2HB ASN 14 -11.172 -2.966 0.528
93 HB3 ASN 14 1HB ASN 14 -11.347 -3.253 -1.201
94 HD21 ASN 14 1HD2 ASN 14 -13.486 -3.986 -1.011
95 HD22 ASN 14 2HD2 ASN 14 -13.849 -5.518 -0.289
96 H GLU 15 H GLU 15 -8.767 -3.465 -2.642
97 HA GLU 15 HA GLU 15 -9.613 -5.633 -4.052
98 HB2 GLU 15 2HB GLU 15 -9.266 -3.303 -4.927
99 HB3 GLU 15 1HB GLU 15 -7.539 -3.573 -4.808
100 HG2 GLU 15 2HG GLU 15 -9.342 -5.192 -6.593
101 HG3 GLU 15 1HG GLU 15 -8.501 -3.732 -7.111
102 H THR 16 H THR 16 -8.277 -7.404 -4.838
103 HA THR 16 HA THR 16 -6.538 -8.544 -2.989
104 HB THR 16 HB THR 16 -7.141 -9.238 -5.843
105 HG1 THR 16 1HG THR 16 -8.877 -9.825 -4.800
106 HG21 THR 16 3HG2 THR 16 -5.647 -10.895 -3.782
107 HG22 THR 16 1HG2 THR 16 -4.914 -10.090 -5.175
108 HG23 THR 16 2HG2 THR 16 -6.075 -11.408 -5.416
109 H ASP 17 H ASP 17 -5.736 -7.049 -6.126
110 HA ASP 17 HA ASP 17 -3.044 -7.847 -5.823
111 HB2 ASP 17 2HB ASP 17 -4.039 -7.466 -8.030
112 HB3 ASP 17 1HB ASP 17 -4.260 -5.771 -7.553
113 H ASN 18 H ASN 18 -4.952 -4.944 -5.239
114 HA ASN 18 HA ASN 18 -2.685 -3.428 -4.561
115 HB2 ASN 18 2HB ASN 18 -5.608 -2.826 -4.566
116 HB3 ASN 18 1HB ASN 18 -4.445 -1.717 -3.853
117 HD21 ASN 18 1HD2 ASN 18 -5.398 -3.320 -6.857
118 HD22 ASN 18 2HD2 ASN 18 -4.617 -2.193 -7.895
119 H SER 19 H SER 19 -4.243 -5.733 -2.923
120 HA SER 19 HA SER 19 -3.855 -4.436 -0.430
121 HB2 SER 19 2HB SER 19 -4.225 -6.710 0.686
122 HB3 SER 19 1HB SER 19 -5.540 -6.152 -0.346
123 HG SER 19 HG SER 19 -4.336 -7.567 -1.980
124 H CYS 20 H CYS 20 -1.605 -5.399 -2.570
125 HA CYS 20 HA CYS 20 0.320 -5.505 -0.371
126 HB2 CYS 20 2HB CYS 20 0.526 -7.409 -2.097
127 HB3 CYS 20 1HB CYS 20 1.163 -6.211 -3.223
128 H LYS 21 H LYS 21 -1.126 -3.226 -1.978
129 HA LYS 21 HA LYS 21 1.327 -1.655 -2.275
130 HB2 LYS 21 2HB LYS 21 -1.446 -1.335 -3.389
131 HB3 LYS 21 1HB LYS 21 -0.339 0.018 -3.226
132 HG2 LYS 21 2HG LYS 21 -0.136 -0.648 -5.454
133 HG3 LYS 21 1HG LYS 21 1.257 -1.338 -4.612
134 HD2 LYS 21 2HD LYS 21 0.076 -3.517 -4.529
135 HD3 LYS 21 1HD LYS 21 -1.240 -2.755 -5.444
136 HE2 LYS 21 2HE LYS 21 0.240 -2.274 -7.278
137 HE3 LYS 21 1HE LYS 21 1.591 -2.979 -6.397
138 HZ1 LYS 21 3HZ LYS 21 -0.816 -4.430 -7.409
139 HZ2 LYS 21 1HZ LYS 21 0.359 -5.125 -6.436
140 HZ3 LYS 21 2HZ LYS 21 0.732 -4.568 -7.969
141 H VAL 22 H VAL 22 1.621 -0.016 -1.608
142 HA VAL 22 HA VAL 22 0.887 0.255 1.079
143 HB VAL 22 HB VAL 22 2.537 1.901 -0.805
144 HG11 VAL 22 1HG1 VAL 22 1.701 3.305 0.795
145 HG12 VAL 22 2HG1 VAL 22 3.375 2.951 1.321
146 HG13 VAL 22 3HG1 VAL 22 1.957 2.147 2.085
147 HG21 VAL 22 3HG2 VAL 22 3.303 -0.106 1.350
148 HG22 VAL 22 1HG2 VAL 22 4.430 0.801 0.334
149 HG23 VAL 22 2HG2 VAL 22 3.303 -0.389 -0.360
150 H CYS 23 H CYS 23 -0.987 0.811 1.276
151 HA CYS 23 HA CYS 23 -2.066 3.046 -0.289
152 HB2 CYS 23 2HB CYS 23 -3.755 1.336 1.495
153 HB3 CYS 23 1HB CYS 23 -4.178 2.420 0.151
154 H CYS 24 H CYS 24 -2.698 4.885 0.586
155 HA CYS 24 HA CYS 24 -2.189 5.254 3.429
156 HB2 CYS 24 2HB CYS 24 -2.174 7.238 1.137
157 HB3 CYS 24 1HB CYS 24 -1.760 7.592 2.804
158 H ARG 25 H ARG 25 -3.728 7.238 4.162
159 HA ARG 25 HA ARG 25 -6.298 6.739 2.899
160 HB2 ARG 25 2HB ARG 25 -5.763 5.691 5.207
161 HB3 ARG 25 1HB ARG 25 -5.850 7.342 5.788
162 HG2 ARG 25 2HG ARG 25 -8.090 6.302 4.203
163 HG3 ARG 25 1HG ARG 25 -7.937 5.738 5.873
164 HD2 ARG 25 2HD ARG 25 -8.110 8.628 4.929
165 HD3 ARG 25 1HD ARG 25 -9.441 7.710 5.640
166 HE ARG 25 HE ARG 25 -7.555 7.529 7.535
167 HH11 ARG 25 1HH1 ARG 25 -8.703 10.383 5.784
168 HH12 ARG 25 2HH1 ARG 25 -8.616 11.433 7.124
169 HH21 ARG 25 1HH2 ARG 25 -7.331 8.920 9.327
170 HH22 ARG 25 2HH2 ARG 25 -7.770 10.556 9.268
171 H ASP 26 H ASP 26 -7.320 8.545 2.265
172 HA ASP 26 HA ASP 26 -5.779 10.990 2.476
173 HB2 ASP 26 2HB ASP 26 -6.753 11.579 0.428
174 HB3 ASP 26 1HB ASP 26 -6.540 9.833 0.277
175 H LEU 27 H LEU 27 -7.506 12.654 1.904
176 HA LEU 27 HA LEU 27 -8.582 13.342 4.336
177 HB2 LEU 27 2HB LEU 27 -9.616 15.240 2.906
178 HB3 LEU 27 1HB LEU 27 -7.928 15.316 3.462
179 HG LEU 27 HG LEU 27 -7.488 14.327 1.056
180 HD11 LEU 27 1HD1 LEU 27 -9.113 14.984 -0.632
181 HD12 LEU 27 2HD1 LEU 27 -10.237 15.480 0.635
182 HD13 LEU 27 3HD1 LEU 27 -9.774 13.786 0.479
183 HD21 LEU 27 3HD2 LEU 27 -6.793 16.543 1.732
184 HD22 LEU 27 1HD2 LEU 27 -8.415 17.168 1.430
185 HD23 LEU 27 2HD2 LEU 27 -7.434 16.576 0.089
186 H SER 28 H SER 28 -10.111 12.254 1.447
187 HA SER 28 HA SER 28 -12.717 12.845 2.343
188 HB2 SER 28 2HB SER 28 -12.263 12.811 -0.062
189 HB3 SER 28 1HB SER 28 -11.764 11.124 0.031
190 HG SER 28 HG SER 28 -14.081 11.182 1.111
191 H GLY 29 H GLY 29 -10.416 10.543 2.924
192 HA2 GLY 29 2HA GLY 29 -10.374 8.973 4.315
193 HA3 GLY 29 1HA GLY 29 -12.135 9.023 4.580
194 H ARG 30 H ARG 30 -9.969 8.380 1.799
195 HA ARG 30 HA ARG 30 -11.314 5.813 1.404
196 HB2 ARG 30 2HB ARG 30 -9.842 7.451 -0.678
197 HB3 ARG 30 1HB ARG 30 -10.886 6.066 -0.949
198 HG2 ARG 30 2HG ARG 30 -11.735 8.813 -0.053
199 HG3 ARG 30 1HG ARG 30 -12.003 8.090 -1.640
200 HD2 ARG 30 2HD ARG 30 -13.486 6.463 -0.718
201 HD3 ARG 30 1HD ARG 30 -13.062 6.934 0.927
202 HE ARG 30 HE ARG 30 -14.365 8.792 -0.913
203 HH11 ARG 30 1HH1 ARG 30 -14.169 7.232 2.272
204 HH12 ARG 30 2HH1 ARG 30 -15.547 7.973 2.910
205 HH21 ARG 30 1HH2 ARG 30 -16.274 9.869 -0.031
206 HH22 ARG 30 2HH2 ARG 30 -16.798 9.524 1.554
207 H CYS 31 H CYS 31 -9.836 4.170 0.627
208 HA CYS 31 HA CYS 31 -7.169 4.555 1.709
209 HB2 CYS 31 2HB CYS 31 -8.540 2.012 0.805
210 HB3 CYS 31 1HB CYS 31 -7.052 2.127 1.748
211 H VAL 32 H VAL 32 -5.798 5.290 0.281
212 HA VAL 32 HA VAL 32 -6.246 4.606 -2.409
213 HB VAL 32 HB VAL 32 -4.914 6.809 -2.877
214 HG11 VAL 32 1HG1 VAL 32 -7.138 6.330 -3.522
215 HG12 VAL 32 2HG1 VAL 32 -7.055 8.003 -2.927
216 HG13 VAL 32 3HG1 VAL 32 -7.774 6.727 -1.922
217 HG21 VAL 32 3HG2 VAL 32 -5.266 8.539 -1.144
218 HG22 VAL 32 1HG2 VAL 32 -4.349 7.169 -0.493
219 HG23 VAL 32 2HG2 VAL 32 -6.064 7.355 -0.122
220 HA PRO 33 HA PRO 33 -2.179 2.852 -2.375
221 HB2 PRO 33 2HB PRO 33 -1.713 2.955 -5.077
222 HB3 PRO 33 1HB PRO 33 -2.762 1.730 -4.331
223 HG2 PRO 33 2HG PRO 33 -3.534 4.239 -5.727
224 HG3 PRO 33 1HG PRO 33 -4.279 2.628 -5.804
225 HD2 PRO 33 2HD PRO 33 -5.357 4.600 -4.284
226 HD3 PRO 33 1HD PRO 33 -5.401 2.890 -3.813
227 H TYR 34 H TYR 34 -0.341 3.892 -1.844
228 HA TYR 34 HA TYR 34 0.362 6.526 -2.071
229 HB2 TYR 34 2HB TYR 34 1.538 4.657 -0.850
230 HB3 TYR 34 1HB TYR 34 2.150 4.226 -2.455
231 HD1 TYR 34 1HD TYR 34 3.484 6.526 -3.669
232 HD2 TYR 34 2HD TYR 34 3.129 5.550 0.484
233 HE1 TYR 34 1HE TYR 34 5.324 7.718 -3.286
234 HE2 TYR 34 2HE TYR 34 5.178 6.847 0.880
235 HH TYR 34 HH TYR 34 6.596 8.851 -1.642
236 H VAL 35 H VAL 35 0.984 7.765 -3.690
237 HA VAL 35 HA VAL 35 2.565 6.702 -5.781
238 HB VAL 35 HB VAL 35 1.121 8.949 -6.597
239 HG11 VAL 35 1HG1 VAL 35 1.409 6.243 -7.862
240 HG12 VAL 35 2HG1 VAL 35 2.508 7.607 -7.909
241 HG13 VAL 35 3HG1 VAL 35 0.941 7.748 -8.699
242 HG21 VAL 35 3HG2 VAL 35 -1.115 8.046 -7.085
243 HG22 VAL 35 1HG2 VAL 35 -0.760 8.013 -5.354
244 HG23 VAL 35 2HG2 VAL 35 -0.666 6.521 -6.300
245 H ASP 36 H ASP 36 4.145 7.979 -6.104
246 HA ASP 36 HA ASP 36 4.457 10.452 -4.517
247 HB2 ASP 36 2HB ASP 36 5.925 8.192 -4.871
248 HB3 ASP 36 1HB ASP 36 6.441 9.189 -6.222
249 H ALA 37 H ALA 37 6.020 11.615 -5.757
250 HA ALA 37 HA ALA 37 3.985 13.136 -6.491
251 HB1 ALA 37 1HB ALA 37 5.878 13.630 -5.374
252 HB2 ALA 37 2HB ALA 37 5.577 14.878 -6.641
253 HB3 ALA 37 3HB ALA 37 6.870 13.633 -6.834
254 H GLU 38 H GLU 38 6.247 11.276 -8.541
255 HA GLU 38 HA GLU 38 5.151 12.444 -10.806
256 HB2 GLU 38 2HB GLU 38 7.234 12.133 -11.737
257 HB3 GLU 38 1HB GLU 38 7.185 12.443 -9.953
258 HG2 GLU 38 2HG GLU 38 7.370 9.685 -10.562
259 HG3 GLU 38 1HG GLU 38 8.881 10.544 -10.979
260 H GLN 39 H GLN 39 4.071 10.375 -9.054
261 HA GLN 39 HA GLN 39 2.801 8.812 -9.139
262 HB2 GLN 39 2HB GLN 39 3.558 8.992 -11.829
263 HB3 GLN 39 1HB GLN 39 2.482 7.592 -11.442
264 HG2 GLN 39 2HG GLN 39 0.938 9.291 -10.462
265 HG3 GLN 39 1HG GLN 39 2.086 10.537 -10.947
266 HE21 GLN 39 1HE2 GLN 39 1.407 7.785 -12.964
267 HE22 GLN 39 2HE2 GLN 39 0.521 8.650 -14.179
268 H LYS 40 H LYS 40 5.570 8.295 -8.268
269 HA LYS 40 HA LYS 40 6.111 5.558 -8.963
270 HB2 LYS 40 2HB LYS 40 6.890 7.190 -6.609
271 HB3 LYS 40 1HB LYS 40 7.505 5.551 -6.951
272 HG2 LYS 40 2HG LYS 40 8.366 6.530 -9.069
273 HG3 LYS 40 1HG LYS 40 7.891 8.109 -8.392
274 HD2 LYS 40 2HD LYS 40 9.911 6.195 -7.141
275 HD3 LYS 40 1HD LYS 40 10.335 7.652 -8.027
276 HE2 LYS 40 2HE LYS 40 8.712 7.600 -5.463
277 HE3 LYS 40 1HE LYS 40 10.438 7.917 -5.547
278 HZ1 LYS 40 3HZ LYS 40 8.377 9.549 -6.920
279 HZ2 LYS 40 1HZ LYS 40 9.949 9.955 -6.837
280 HZ3 LYS 40 2HZ LYS 40 8.934 10.008 -5.469
281 H ASN 41 H ASN 41 5.515 3.819 -7.824
282 HA ASN 41 HA ASN 41 3.480 4.197 -5.742
283 HB2 ASN 41 2HB ASN 41 2.900 2.987 -7.915
284 HB3 ASN 41 1HB ASN 41 4.141 1.848 -7.385
285 HD21 ASN 41 1HD2 ASN 41 1.015 3.167 -6.365
286 HD22 ASN 41 2HD2 ASN 41 0.497 1.737 -5.558
287 H LEU 42 H LEU 42 3.541 2.092 -4.380
288 HA LEU 42 HA LEU 42 6.279 1.356 -3.628
289 HB2 LEU 42 2HB LEU 42 4.209 2.269 -1.636
290 HB3 LEU 42 1HB LEU 42 5.707 1.490 -1.224
291 HG LEU 42 HG LEU 42 5.272 4.327 -2.191
292 HD11 LEU 42 1HD1 LEU 42 6.469 3.212 0.363
293 HD12 LEU 42 2HD1 LEU 42 4.777 3.682 0.112
294 HD13 LEU 42 3HD1 LEU 42 5.973 4.902 0.027
295 HD21 LEU 42 3HD2 LEU 42 7.694 4.596 -2.037
296 HD22 LEU 42 1HD2 LEU 42 7.318 3.383 -3.259
297 HD23 LEU 42 2HD2 LEU 42 7.892 2.883 -1.664
298 H PHE 43 H PHE 43 6.364 -0.834 -3.401
299 HA PHE 43 HA PHE 43 3.967 -2.227 -3.109
300 HB2 PHE 43 2HB PHE 43 6.787 -2.911 -3.690
301 HB3 PHE 43 1HB PHE 43 5.569 -4.192 -3.504
302 HD1 PHE 43 2HD PHE 43 3.682 -4.225 -5.176
303 HD2 PHE 43 1HD PHE 43 7.091 -1.736 -5.668
304 HE1 PHE 43 2HE PHE 43 3.150 -3.972 -7.568
305 HE2 PHE 43 1HE PHE 43 6.563 -1.474 -8.056
306 HZ PHE 43 HZ PHE 43 4.589 -2.594 -9.008
307 H LEU 44 H LEU 44 3.545 -3.399 -1.156
308 HA LEU 44 HA LEU 44 4.896 -2.722 1.038
309 HB2 LEU 44 2HB LEU 44 2.746 -4.700 0.496
310 HB3 LEU 44 1HB LEU 44 3.485 -4.668 2.083
311 HG LEU 44 HG LEU 44 2.166 -2.259 0.799
312 HD11 LEU 44 1HD1 LEU 44 0.555 -4.099 1.258
313 HD12 LEU 44 2HD1 LEU 44 0.316 -2.686 2.289
314 HD13 LEU 44 3HD1 LEU 44 1.140 -4.108 2.928
315 HD21 LEU 44 3HD2 LEU 44 3.872 -1.739 2.501
316 HD22 LEU 44 1HD2 LEU 44 3.057 -2.820 3.627
317 HD23 LEU 44 2HD2 LEU 44 2.247 -1.359 3.067
318 H ARG 45 H ARG 45 5.327 -4.921 2.601
319 HA ARG 45 HA ARG 45 7.558 -6.210 1.427
320 HB2 ARG 45 2HB ARG 45 6.328 -6.030 4.038
321 HB3 ARG 45 1HB ARG 45 7.328 -7.477 3.762
322 HG2 ARG 45 2HG ARG 45 8.718 -5.869 4.875
323 HG3 ARG 45 1HG ARG 45 9.211 -5.860 3.193
324 HD2 ARG 45 2HD ARG 45 7.310 -3.837 4.385
325 HD3 ARG 45 1HD ARG 45 9.052 -3.616 4.351
326 HE ARG 45 HE ARG 45 7.620 -4.054 1.834
327 HH11 ARG 45 1HH1 ARG 45 9.493 -1.868 3.923
328 HH12 ARG 45 2HH1 ARG 45 9.648 -0.635 2.769
329 HH21 ARG 45 1HH2 ARG 45 7.791 -2.293 0.217
330 HH22 ARG 45 2HH2 ARG 45 8.648 -0.897 0.603
331 H LYS 46 H LYS 46 7.811 -8.626 1.673
332 HA LYS 46 HA LYS 46 5.445 -9.879 0.564
333 HB2 LYS 46 2HB LYS 46 6.959 -11.722 -0.181
334 HB3 LYS 46 1HB LYS 46 7.464 -10.158 -0.783
335 HG2 LYS 46 2HG LYS 46 9.478 -11.100 -0.194
336 HG3 LYS 46 1HG LYS 46 9.084 -10.218 1.278
337 HD2 LYS 46 2HD LYS 46 9.464 -12.168 2.338
338 HD3 LYS 46 1HD LYS 46 7.896 -12.663 1.710
339 HE2 LYS 46 2HE LYS 46 10.582 -13.178 0.405
340 HE3 LYS 46 1HE LYS 46 9.624 -14.360 1.278
341 HZ1 LYS 46 3HZ LYS 46 7.896 -14.155 -0.516
342 HZ2 LYS 46 1HZ LYS 46 9.356 -14.630 -1.122
343 HZ3 LYS 46 2HZ LYS 46 8.809 -13.081 -1.326
344 H GLY 47 H GLY 47 4.555 -11.754 1.284
345 HA2 GLY 47 2HA GLY 47 3.905 -13.343 2.776
346 HA3 GLY 47 1HA GLY 47 5.251 -12.907 3.866
347 H LYS 48 H LYS 48 3.564 -10.263 2.771
348 HA LYS 48 HA LYS 48 2.327 -9.777 5.318
349 HB2 LYS 48 2HB LYS 48 3.440 -8.184 3.589
350 HB3 LYS 48 1HB LYS 48 1.903 -8.226 2.777
351 HG2 LYS 48 2HG LYS 48 2.302 -7.293 5.635
352 HG3 LYS 48 1HG LYS 48 2.200 -6.227 4.250
353 HD2 LYS 48 2HD LYS 48 -0.041 -8.105 5.010
354 HD3 LYS 48 1HD LYS 48 0.115 -6.510 5.729
355 HE2 LYS 48 2HE LYS 48 -1.468 -6.339 3.952
356 HE3 LYS 48 1HE LYS 48 -0.007 -5.551 3.397
357 HZ1 LYS 48 3HZ LYS 48 -0.975 -8.251 2.658
358 HZ2 LYS 48 1HZ LYS 48 0.479 -7.593 2.078
359 HZ3 LYS 48 2HZ LYS 48 -0.994 -6.881 1.678
360 HA PRO 49 HA PRO 49 -1.368 -12.200 4.131
361 HB2 PRO 49 2HB PRO 49 -2.498 -10.481 6.301
362 HB3 PRO 49 1HB PRO 49 -2.615 -12.242 6.094
363 HG2 PRO 49 2HG PRO 49 -0.996 -11.264 7.904
364 HG3 PRO 49 1HG PRO 49 -0.501 -12.639 6.896
365 HD2 PRO 49 2HD PRO 49 0.365 -9.797 6.733
366 HD3 PRO 49 1HD PRO 49 1.280 -11.287 6.428
367 H CYS 50 H CYS 50 -3.134 -11.779 2.865
368 HA CYS 50 HA CYS 50 -3.803 -9.006 2.424
369 HB2 CYS 50 2HB CYS 50 -3.412 -11.132 0.347
370 HB3 CYS 50 1HB CYS 50 -3.992 -9.489 0.067
371 H THR 51 H THR 51 -5.681 -9.466 0.424
372 HA THR 51 HA THR 51 -8.058 -10.060 1.597
373 HB THR 51 HB THR 51 -8.776 -10.209 -0.850
374 HG1 THR 51 1HG THR 51 -7.309 -10.206 -2.378
375 HG21 THR 51 3HG2 THR 51 -6.806 -8.023 -0.261
376 HG22 THR 51 1HG2 THR 51 -8.467 -8.006 0.360
377 HG23 THR 51 2HG2 THR 51 -8.142 -7.939 -1.388
378 H VAL 52 H VAL 52 -6.130 -11.876 -0.565
379 HA VAL 52 HA VAL 52 -7.739 -14.279 -0.179
380 HB VAL 52 HB VAL 52 -6.801 -15.034 -2.337
381 HG11 VAL 52 1HG1 VAL 52 -8.913 -13.862 -2.313
382 HG12 VAL 52 2HG1 VAL 52 -7.989 -13.267 -3.700
383 HG13 VAL 52 3HG1 VAL 52 -8.103 -12.303 -2.221
384 HG21 VAL 52 3HG2 VAL 52 -4.644 -13.878 -2.348
385 HG22 VAL 52 1HG2 VAL 52 -5.417 -12.299 -2.358
386 HG23 VAL 52 2HG2 VAL 52 -5.582 -13.351 -3.739
387 H GLY 53 H GLY 53 -4.362 -13.420 -0.285
388 HA2 GLY 53 2HA GLY 53 -3.757 -15.713 1.393
389 HA3 GLY 53 1HA GLY 53 -2.977 -15.584 -0.191
390 H PHE 54 H PHE 54 -1.002 -14.724 -0.157
391 HA PHE 54 HA PHE 54 -0.478 -12.646 1.856
392 HB2 PHE 54 2HB PHE 54 1.365 -14.881 1.001
393 HB3 PHE 54 1HB PHE 54 1.875 -13.541 2.022
394 HD1 PHE 54 1HD PHE 54 0.885 -13.347 4.319
395 HD2 PHE 54 2HD PHE 54 0.271 -16.771 1.867
396 HE1 PHE 54 1HE PHE 54 0.217 -14.644 6.300
397 HE2 PHE 54 2HE PHE 54 -0.402 -18.071 3.842
398 HZ PHE 54 HZ PHE 54 -0.427 -17.006 6.063
399 H CYS 55 H CYS 55 1.170 -11.227 1.153
400 HA CYS 55 HA CYS 55 1.150 -10.906 -1.745
401 HB2 CYS 55 2HB CYS 55 0.906 -8.849 -0.628
402 HB3 CYS 55 1HB CYS 55 2.222 -9.214 0.488
403 H ASP 56 H ASP 56 2.833 -11.543 -3.028
404 HA ASP 56 HA ASP 56 5.284 -11.730 -1.473
405 HB2 ASP 56 2HB ASP 56 4.292 -13.938 -2.506
406 HB3 ASP 56 1HB ASP 56 5.103 -13.372 -3.970
407 H MET 57 H MET 57 7.074 -12.074 -3.783
408 HA MET 57 HA MET 57 7.905 -9.560 -4.143
409 HB2 MET 57 2HB MET 57 9.042 -11.759 -4.346
410 HB3 MET 57 1HB MET 57 8.311 -11.922 -5.935
411 HG2 MET 57 2HG MET 57 9.355 -9.873 -6.597
412 HG3 MET 57 1HG MET 57 10.061 -9.809 -4.961
413 HE1 MET 57 3HE MET 57 13.157 -10.707 -7.337
414 HE2 MET 57 1HE MET 57 12.513 -9.524 -6.199
415 HE3 MET 57 2HE MET 57 11.770 -9.711 -7.787
416 H ASN 58 H ASN 58 5.202 -10.923 -5.717
417 HA ASN 58 HA ASN 58 5.522 -9.472 -8.202
418 HB2 ASN 58 2HB ASN 58 4.406 -11.756 -7.970
419 HB3 ASN 58 1HB ASN 58 3.059 -10.925 -7.207
420 HD21 ASN 58 1HD2 ASN 58 4.745 -11.539 -10.117
421 HD22 ASN 58 2HD2 ASN 58 3.588 -10.875 -11.219
422 H GLY 59 H GLY 59 4.411 -8.756 -5.039
423 HA2 GLY 59 2HA GLY 59 3.176 -6.891 -4.141
424 HA3 GLY 59 1HA GLY 59 3.350 -6.164 -5.760
425 H LYS 60 H LYS 60 2.115 -9.212 -4.966
426 HA LYS 60 HA LYS 60 -0.698 -8.496 -5.405
427 HB2 LYS 60 2HB LYS 60 0.529 -9.332 -7.575
428 HB3 LYS 60 1HB LYS 60 0.769 -10.786 -6.603
429 HG2 LYS 60 2HG LYS 60 -1.565 -11.246 -6.524
430 HG3 LYS 60 1HG LYS 60 -1.963 -9.682 -7.236
431 HD2 LYS 60 2HD LYS 60 -0.247 -11.646 -8.723
432 HD3 LYS 60 1HD LYS 60 -1.998 -11.821 -8.724
433 HE2 LYS 60 2HE LYS 60 -1.130 -10.589 -10.705
434 HE3 LYS 60 1HE LYS 60 -2.272 -9.655 -9.754
435 HZ1 LYS 60 3HZ LYS 60 -0.301 -8.391 -10.519
436 HZ2 LYS 60 1HZ LYS 60 0.686 -9.343 -9.519
437 HZ3 LYS 60 2HZ LYS 60 -0.557 -8.344 -8.886
438 H CYS 61 H CYS 61 -1.833 -10.292 -4.872
439 HA CYS 61 HA CYS 61 -0.641 -11.406 -2.511
440 HB2 CYS 61 2HB CYS 61 -3.087 -10.036 -3.152
441 HB3 CYS 61 1HB CYS 61 -3.122 -11.056 -1.677
442 H GLU 62 H GLU 62 -0.620 -13.446 -2.555
443 HA GLU 62 HA GLU 62 -2.190 -14.888 -4.465
444 HB2 GLU 62 2HB GLU 62 0.765 -15.135 -3.765
445 HB3 GLU 62 1HB GLU 62 -0.086 -16.030 -5.027
446 HG2 GLU 62 2HG GLU 62 -0.445 -14.039 -6.325
447 HG3 GLU 62 1HG GLU 62 0.071 -13.047 -4.973
Start of MODEL 19
1 H PHE 1 1HT PHE 1 5.730 5.397 6.668
2 HA PHE 1 HA PHE 1 7.026 5.822 4.782
3 HB2 PHE 1 2HB PHE 1 4.798 4.706 3.075
4 HB3 PHE 1 1HB PHE 1 6.416 5.167 2.579
5 HD1 PHE 1 2HD PHE 1 8.346 3.744 3.736
6 HD2 PHE 1 1HD PHE 1 4.304 2.567 3.284
7 HE1 PHE 1 2HE PHE 1 9.034 1.389 3.967
8 HE2 PHE 1 1HE PHE 1 4.964 0.179 3.533
9 HZ PHE 1 HZ PHE 1 7.338 -0.399 3.867
10 H CYS 2 H CYS 2 3.507 5.632 4.261
11 HA CYS 2 HA CYS 2 2.819 7.886 3.018
12 HB2 CYS 2 2HB CYS 2 1.334 6.741 5.369
13 HB3 CYS 2 1HB CYS 2 0.655 7.656 4.027
14 H GLU 3 H GLU 3 3.490 7.644 6.441
15 HA GLU 3 HA GLU 3 2.536 9.915 7.574
16 HB2 GLU 3 2HB GLU 3 5.323 8.972 8.219
17 HB3 GLU 3 1HB GLU 3 4.149 9.694 9.296
18 HG2 GLU 3 2HG GLU 3 4.308 7.436 9.910
19 HG3 GLU 3 1HG GLU 3 2.792 7.570 9.005
20 H ARG 4 H ARG 4 5.892 9.724 6.375
21 HA ARG 4 HA ARG 4 5.924 12.528 6.529
22 HB2 ARG 4 2HB ARG 4 8.241 12.472 6.433
23 HB3 ARG 4 1HB ARG 4 7.959 10.803 6.870
24 HG2 ARG 4 2HG ARG 4 9.573 10.665 5.186
25 HG3 ARG 4 1HG ARG 4 8.074 10.341 4.320
26 HD2 ARG 4 2HD ARG 4 8.246 13.071 4.096
27 HD3 ARG 4 1HD ARG 4 9.952 12.614 4.061
28 HE ARG 4 HE ARG 4 8.986 10.896 2.333
29 HH11 ARG 4 1HH1 ARG 4 8.117 14.352 2.539
30 HH12 ARG 4 2HH1 ARG 4 7.672 14.433 0.883
31 HH21 ARG 4 1HH2 ARG 4 8.315 11.073 0.168
32 HH22 ARG 4 2HH2 ARG 4 7.758 12.506 -0.530
33 H GLU 5 H GLU 5 5.513 10.117 4.087
34 HA GLU 5 HA GLU 5 6.287 11.536 1.816
35 HB2 GLU 5 2HB GLU 5 4.242 9.333 1.996
36 HB3 GLU 5 1HB GLU 5 4.988 9.906 0.518
37 HG2 GLU 5 2HG GLU 5 6.355 8.487 2.804
38 HG3 GLU 5 1HG GLU 5 5.980 7.818 1.224
39 H GLN 6 H GLN 6 2.983 11.179 3.197
40 HA GLN 6 HA GLN 6 2.123 13.398 1.432
41 HB2 GLN 6 2HB GLN 6 0.594 10.910 2.149
42 HB3 GLN 6 1HB GLN 6 0.014 12.228 1.149
43 HG2 GLN 6 2HG GLN 6 2.363 10.511 0.483
44 HG3 GLN 6 1HG GLN 6 0.676 10.170 -0.002
45 HE21 GLN 6 1HE2 GLN 6 3.411 12.394 -0.430
46 HE22 GLN 6 2HE2 GLN 6 2.868 13.070 -1.883
47 H GLN 7 H GLN 7 2.732 12.431 4.487
48 HA GLN 7 HA GLN 7 2.082 12.698 6.423
49 HB2 GLN 7 2HB GLN 7 0.339 14.923 5.328
50 HB3 GLN 7 1HB GLN 7 0.599 14.675 7.049
51 HG2 GLN 7 2HG GLN 7 2.911 14.936 5.234
52 HG3 GLN 7 1HG GLN 7 2.052 16.410 5.707
53 HE21 GLN 7 1HE2 GLN 7 2.606 13.587 7.804
54 HE22 GLN 7 2HE2 GLN 7 3.667 14.424 8.881
55 H LEU 8 H LEU 8 0.747 10.935 4.730
56 HA LEU 8 HA LEU 8 -2.031 10.608 5.602
57 HB2 LEU 8 2HB LEU 8 -0.351 9.735 3.361
58 HB3 LEU 8 1HB LEU 8 -1.431 8.545 4.037
59 HG LEU 8 HG LEU 8 -3.343 9.741 3.474
60 HD11 LEU 8 1HD1 LEU 8 -1.596 12.107 2.872
61 HD12 LEU 8 2HD1 LEU 8 -2.696 11.862 4.241
62 HD13 LEU 8 3HD1 LEU 8 -3.353 12.012 2.604
63 HD21 LEU 8 3HD2 LEU 8 -3.086 10.166 1.050
64 HD22 LEU 8 1HD2 LEU 8 -2.391 8.650 1.618
65 HD23 LEU 8 2HD2 LEU 8 -1.327 10.006 1.240
66 H GLU 9 H GLU 9 -2.641 8.642 5.974
67 HA GLU 9 HA GLU 9 -1.008 7.214 7.989
68 HB2 GLU 9 2HB GLU 9 -3.454 7.981 8.342
69 HB3 GLU 9 1HB GLU 9 -3.806 6.753 7.127
70 HG2 GLU 9 2HG GLU 9 -3.005 5.017 8.599
71 HG3 GLU 9 1HG GLU 9 -2.661 6.230 9.843
72 H SER 10 H SER 10 -0.913 4.785 7.661
73 HA SER 10 HA SER 10 -0.733 4.079 4.908
74 HB2 SER 10 2HB SER 10 0.358 2.192 5.855
75 HB3 SER 10 1HB SER 10 0.825 3.783 6.607
76 HG SER 10 HG SER 10 -1.221 2.569 7.909
77 H CYS 11 H CYS 11 -1.816 2.075 4.136
78 HA CYS 11 HA CYS 11 -3.782 0.845 5.796
79 HB2 CYS 11 2HB CYS 11 -5.812 1.613 4.778
80 HB3 CYS 11 1HB CYS 11 -4.851 3.070 4.786
81 H ALA 12 H ALA 12 -5.178 -0.658 4.059
82 HA ALA 12 HA ALA 12 -3.268 -1.642 2.089
83 HB1 ALA 12 1HB ALA 12 -4.960 -3.279 3.982
84 HB2 ALA 12 2HB ALA 12 -3.202 -3.141 4.023
85 HB3 ALA 12 3HB ALA 12 -3.993 -3.940 2.663
86 H CYS 13 H CYS 13 -4.202 -1.803 0.104
87 HA CYS 13 HA CYS 13 -6.860 -0.970 -0.247
88 HB2 CYS 13 2HB CYS 13 -4.862 -2.196 -2.166
89 HB3 CYS 13 1HB CYS 13 -6.373 -1.450 -2.627
90 H ASN 14 H ASN 14 -8.677 -1.983 -0.516
91 HA ASN 14 HA ASN 14 -9.094 -4.574 0.485
92 HB2 ASN 14 2HB ASN 14 -10.731 -2.658 0.471
93 HB3 ASN 14 1HB ASN 14 -10.935 -2.965 -1.252
94 HD21 ASN 14 1HD2 ASN 14 -13.147 -3.452 -1.056
95 HD22 ASN 14 2HD2 ASN 14 -13.677 -4.918 -0.297
96 H GLU 15 H GLU 15 -8.352 -3.482 -2.634
97 HA GLU 15 HA GLU 15 -9.451 -5.591 -4.018
98 HB2 GLU 15 2HB GLU 15 -9.036 -3.287 -4.939
99 HB3 GLU 15 1HB GLU 15 -7.318 -3.641 -4.891
100 HG2 GLU 15 2HG GLU 15 -9.248 -5.212 -6.571
101 HG3 GLU 15 1HG GLU 15 -8.417 -3.765 -7.145
102 H THR 16 H THR 16 -8.136 -7.452 -4.926
103 HA THR 16 HA THR 16 -6.341 -8.627 -3.098
104 HB THR 16 HB THR 16 -6.845 -9.346 -5.988
105 HG1 THR 16 1HG THR 16 -8.680 -9.891 -5.145
106 HG21 THR 16 3HG2 THR 16 -5.661 -11.171 -3.808
107 HG22 THR 16 1HG2 THR 16 -4.708 -10.243 -4.996
108 HG23 THR 16 2HG2 THR 16 -5.836 -11.488 -5.521
109 H ASP 17 H ASP 17 -5.679 -7.190 -6.286
110 HA ASP 17 HA ASP 17 -3.017 -8.002 -6.157
111 HB2 ASP 17 2HB ASP 17 -4.185 -7.528 -8.279
112 HB3 ASP 17 1HB ASP 17 -4.260 -5.834 -7.768
113 H ASN 18 H ASN 18 -4.770 -5.051 -5.457
114 HA ASN 18 HA ASN 18 -2.404 -3.599 -4.909
115 HB2 ASN 18 2HB ASN 18 -5.298 -2.851 -4.820
116 HB3 ASN 18 1HB ASN 18 -4.047 -1.774 -4.219
117 HD21 ASN 18 1HD2 ASN 18 -5.231 -3.462 -7.089
118 HD22 ASN 18 2HD2 ASN 18 -4.469 -2.418 -8.223
119 H SER 19 H SER 19 -4.053 -5.779 -3.155
120 HA SER 19 HA SER 19 -4.069 -4.464 -0.644
121 HB2 SER 19 2HB SER 19 -4.359 -6.653 0.407
122 HB3 SER 19 1HB SER 19 -5.377 -6.525 -1.026
123 HG SER 19 HG SER 19 -3.883 -7.804 -2.147
124 H CYS 20 H CYS 20 -1.491 -5.674 -2.472
125 HA CYS 20 HA CYS 20 0.152 -5.017 -0.236
126 HB2 CYS 20 2HB CYS 20 0.488 -7.433 -1.838
127 HB3 CYS 20 1HB CYS 20 1.886 -6.660 -1.070
128 H LYS 21 H LYS 21 -0.435 -3.233 -1.879
129 HA LYS 21 HA LYS 21 2.329 -2.243 -2.361
130 HB2 LYS 21 2HB LYS 21 -0.331 -1.444 -3.474
131 HB3 LYS 21 1HB LYS 21 1.211 -0.650 -3.800
132 HG2 LYS 21 2HG LYS 21 1.885 -2.314 -5.254
133 HG3 LYS 21 1HG LYS 21 0.762 -3.501 -4.567
134 HD2 LYS 21 2HD LYS 21 -1.054 -2.268 -5.323
135 HD3 LYS 21 1HD LYS 21 -0.032 -1.030 -6.060
136 HE2 LYS 21 2HE LYS 21 -0.842 -2.631 -7.767
137 HE3 LYS 21 1HE LYS 21 0.909 -2.711 -7.592
138 HZ1 LYS 21 3HZ LYS 21 -0.592 -4.783 -7.678
139 HZ2 LYS 21 1HZ LYS 21 -0.812 -4.576 -6.074
140 HZ3 LYS 21 2HZ LYS 21 0.759 -4.875 -6.682
141 H VAL 22 H VAL 22 2.484 -0.210 -1.939
142 HA VAL 22 HA VAL 22 1.561 -0.011 0.716
143 HB VAL 22 HB VAL 22 3.297 1.775 -0.927
144 HG11 VAL 22 1HG1 VAL 22 2.500 1.782 1.963
145 HG12 VAL 22 2HG1 VAL 22 2.234 3.022 0.730
146 HG13 VAL 22 3HG1 VAL 22 3.887 2.714 1.354
147 HG21 VAL 22 3HG2 VAL 22 3.993 -0.236 1.242
148 HG22 VAL 22 1HG2 VAL 22 5.132 0.646 0.231
149 HG23 VAL 22 2HG2 VAL 22 4.063 -0.637 -0.445
150 H CYS 23 H CYS 23 -0.315 0.422 0.785
151 HA CYS 23 HA CYS 23 -1.436 2.728 -0.650
152 HB2 CYS 23 2HB CYS 23 -2.974 0.885 1.162
153 HB3 CYS 23 1HB CYS 23 -3.549 2.062 -0.031
154 H CYS 24 H CYS 24 -2.667 4.305 0.526
155 HA CYS 24 HA CYS 24 -1.800 4.676 3.246
156 HB2 CYS 24 2HB CYS 24 -1.800 6.718 1.015
157 HB3 CYS 24 1HB CYS 24 -1.482 7.058 2.712
158 H ARG 25 H ARG 25 -3.274 6.425 4.177
159 HA ARG 25 HA ARG 25 -5.941 5.793 3.182
160 HB2 ARG 25 2HB ARG 25 -4.951 4.843 5.460
161 HB3 ARG 25 1HB ARG 25 -5.273 6.479 5.978
162 HG2 ARG 25 2HG ARG 25 -7.456 5.172 4.624
163 HG3 ARG 25 1HG ARG 25 -7.029 4.505 6.208
164 HD2 ARG 25 2HD ARG 25 -7.672 7.406 5.552
165 HD3 ARG 25 1HD ARG 25 -8.764 6.284 6.370
166 HE ARG 25 HE ARG 25 -6.603 6.232 7.962
167 HH11 ARG 25 1HH1 ARG 25 -8.294 9.015 6.576
168 HH12 ARG 25 2HH1 ARG 25 -8.130 10.004 7.952
169 HH21 ARG 25 1HH2 ARG 25 -6.273 7.551 9.799
170 HH22 ARG 25 2HH2 ARG 25 -6.884 9.128 9.901
171 H ASP 26 H ASP 26 -7.106 7.533 2.670
172 HA ASP 26 HA ASP 26 -5.770 10.074 2.942
173 HB2 ASP 26 2HB ASP 26 -6.843 10.715 0.998
174 HB3 ASP 26 1HB ASP 26 -6.775 8.978 0.728
175 H LEU 27 H LEU 27 -7.660 11.640 2.743
176 HA LEU 27 HA LEU 27 -8.400 12.282 5.319
177 HB2 LEU 27 2HB LEU 27 -9.693 13.335 2.857
178 HB3 LEU 27 1HB LEU 27 -9.489 14.154 4.386
179 HG LEU 27 HG LEU 27 -7.098 13.352 2.776
180 HD11 LEU 27 1HD1 LEU 27 -8.742 15.842 2.480
181 HD12 LEU 27 2HD1 LEU 27 -8.693 14.446 1.404
182 HD13 LEU 27 3HD1 LEU 27 -7.230 15.439 1.612
183 HD21 LEU 27 3HD2 LEU 27 -7.677 15.589 4.720
184 HD22 LEU 27 1HD2 LEU 27 -6.125 15.265 3.935
185 HD23 LEU 27 2HD2 LEU 27 -6.798 14.102 5.083
186 H SER 28 H SER 28 -10.203 11.186 2.521
187 HA SER 28 HA SER 28 -12.776 11.300 3.604
188 HB2 SER 28 2HB SER 28 -11.654 9.762 1.306
189 HB3 SER 28 1HB SER 28 -13.352 10.283 1.469
190 HG SER 28 HG SER 28 -11.033 11.607 0.776
191 H GLY 29 H GLY 29 -10.161 9.322 3.952
192 HA2 GLY 29 2HA GLY 29 -9.768 7.580 5.022
193 HA3 GLY 29 1HA GLY 29 -11.475 7.383 5.491
194 H ARG 30 H ARG 30 -10.005 7.464 2.259
195 HA ARG 30 HA ARG 30 -10.928 4.737 1.759
196 HB2 ARG 30 2HB ARG 30 -10.470 7.143 0.025
197 HB3 ARG 30 1HB ARG 30 -10.168 5.571 -0.668
198 HG2 ARG 30 2HG ARG 30 -12.361 6.361 -1.307
199 HG3 ARG 30 1HG ARG 30 -12.519 4.955 -0.275
200 HD2 ARG 30 2HD ARG 30 -12.822 7.792 0.714
201 HD3 ARG 30 1HD ARG 30 -14.167 6.833 0.107
202 HE ARG 30 HE ARG 30 -12.547 5.800 2.300
203 HH11 ARG 30 1HH1 ARG 30 -15.659 7.106 1.252
204 HH12 ARG 30 2HH1 ARG 30 -16.479 6.727 2.696
205 HH21 ARG 30 1HH2 ARG 30 -13.601 5.283 4.241
206 HH22 ARG 30 2HH2 ARG 30 -15.253 5.634 4.496
207 H CYS 31 H CYS 31 -9.384 3.646 0.133
208 HA CYS 31 HA CYS 31 -6.690 3.995 1.141
209 HB2 CYS 31 2HB CYS 31 -8.200 1.602 0.246
210 HB3 CYS 31 1HB CYS 31 -6.455 1.641 -0.007
211 H VAL 32 H VAL 32 -5.288 4.843 -0.063
212 HA VAL 32 HA VAL 32 -5.668 4.623 -2.830
213 HB VAL 32 HB VAL 32 -4.236 6.851 -2.886
214 HG11 VAL 32 1HG1 VAL 32 -6.383 6.491 -3.829
215 HG12 VAL 32 2HG1 VAL 32 -6.345 8.086 -3.042
216 HG13 VAL 32 3HG1 VAL 32 -7.189 6.725 -2.273
217 HG21 VAL 32 3HG2 VAL 32 -4.607 8.332 -1.050
218 HG22 VAL 32 1HG2 VAL 32 -4.040 6.818 -0.360
219 HG23 VAL 32 2HG2 VAL 32 -5.761 7.264 -0.277
220 HA PRO 33 HA PRO 33 -1.642 2.726 -2.705
221 HB2 PRO 33 2HB PRO 33 -1.002 3.122 -5.360
222 HB3 PRO 33 1HB PRO 33 -2.088 1.824 -4.820
223 HG2 PRO 33 2HG PRO 33 -2.776 4.468 -5.989
224 HG3 PRO 33 1HG PRO 33 -3.524 2.882 -6.265
225 HD2 PRO 33 2HD PRO 33 -4.671 4.722 -4.627
226 HD3 PRO 33 1HD PRO 33 -4.770 2.975 -4.327
227 H TYR 34 H TYR 34 0.249 3.738 -1.956
228 HA TYR 34 HA TYR 34 0.391 6.513 -2.172
229 HB2 TYR 34 2HB TYR 34 1.396 6.035 -0.326
230 HB3 TYR 34 1HB TYR 34 1.914 4.423 -0.826
231 HD1 TYR 34 1HD TYR 34 2.886 8.175 -1.469
232 HD2 TYR 34 2HD TYR 34 4.198 4.079 -0.931
233 HE1 TYR 34 1HE TYR 34 4.997 8.842 -1.553
234 HE2 TYR 34 2HE TYR 34 6.473 4.909 -1.034
235 HH TYR 34 HH TYR 34 7.287 8.079 -0.742
236 H VAL 35 H VAL 35 1.235 7.876 -3.467
237 HA VAL 35 HA VAL 35 3.587 7.271 -4.893
238 HB VAL 35 HB VAL 35 1.983 9.115 -6.234
239 HG11 VAL 35 1HG1 VAL 35 3.833 8.159 -7.185
240 HG12 VAL 35 2HG1 VAL 35 2.458 7.865 -8.248
241 HG13 VAL 35 3HG1 VAL 35 3.103 6.551 -7.243
242 HG21 VAL 35 3HG2 VAL 35 -0.010 7.923 -5.531
243 HG22 VAL 35 1HG2 VAL 35 0.606 6.425 -6.218
244 HG23 VAL 35 2HG2 VAL 35 0.182 7.772 -7.285
245 H ASP 36 H ASP 36 4.752 9.161 -4.857
246 HA ASP 36 HA ASP 36 3.421 11.582 -3.756
247 HB2 ASP 36 2HB ASP 36 5.016 10.471 -2.197
248 HB3 ASP 36 1HB ASP 36 6.272 10.546 -3.457
249 H ALA 37 H ALA 37 4.906 13.154 -4.207
250 HA ALA 37 HA ALA 37 3.419 13.836 -6.262
251 HB1 ALA 37 1HB ALA 37 4.243 15.009 -4.530
252 HB2 ALA 37 2HB ALA 37 4.434 15.963 -6.059
253 HB3 ALA 37 3HB ALA 37 5.838 15.132 -5.268
254 H GLU 38 H GLU 38 6.626 12.427 -6.379
255 HA GLU 38 HA GLU 38 7.241 13.376 -8.881
256 HB2 GLU 38 2HB GLU 38 9.357 12.555 -8.374
257 HB3 GLU 38 1HB GLU 38 8.435 13.099 -6.923
258 HG2 GLU 38 2HG GLU 38 8.254 10.332 -7.504
259 HG3 GLU 38 1HG GLU 38 9.849 10.809 -6.828
260 H GLN 39 H GLN 39 5.312 11.046 -7.649
261 HA GLN 39 HA GLN 39 4.171 9.486 -8.341
262 HB2 GLN 39 2HB GLN 39 5.720 10.076 -10.635
263 HB3 GLN 39 1HB GLN 39 4.558 8.697 -10.801
264 HG2 GLN 39 2HG GLN 39 2.818 10.352 -10.076
265 HG3 GLN 39 1HG GLN 39 4.077 11.581 -10.052
266 HE21 GLN 39 1HE2 GLN 39 3.021 12.841 -11.588
267 HE22 GLN 39 2HE2 GLN 39 2.911 12.382 -13.261
268 H LYS 40 H LYS 40 6.532 9.066 -6.794
269 HA LYS 40 HA LYS 40 7.516 6.501 -7.684
270 HB2 LYS 40 2HB LYS 40 9.065 6.645 -6.202
271 HB3 LYS 40 1HB LYS 40 8.546 8.396 -6.040
272 HG2 LYS 40 2HG LYS 40 7.246 7.708 -4.051
273 HG3 LYS 40 1HG LYS 40 7.818 6.058 -4.246
274 HD2 LYS 40 2HD LYS 40 9.135 7.017 -2.512
275 HD3 LYS 40 1HD LYS 40 10.172 6.966 -3.935
276 HE2 LYS 40 2HE LYS 40 10.414 9.084 -2.743
277 HE3 LYS 40 1HE LYS 40 9.723 9.342 -4.341
278 HZ1 LYS 40 3HZ LYS 40 7.510 9.382 -3.227
279 HZ2 LYS 40 1HZ LYS 40 8.500 10.676 -2.900
280 HZ3 LYS 40 2HZ LYS 40 8.268 9.481 -1.715
281 H ASN 41 H ASN 41 7.074 4.610 -6.718
282 HA ASN 41 HA ASN 41 4.652 4.587 -5.087
283 HB2 ASN 41 2HB ASN 41 4.407 4.173 -7.582
284 HB3 ASN 41 1HB ASN 41 5.414 2.768 -7.246
285 HD21 ASN 41 1HD2 ASN 41 2.276 4.182 -6.529
286 HD22 ASN 41 2HD2 ASN 41 1.473 2.701 -6.160
287 H LEU 42 H LEU 42 4.490 2.025 -4.502
288 HA LEU 42 HA LEU 42 7.065 0.831 -3.904
289 HB2 LEU 42 2HB LEU 42 5.204 1.695 -1.739
290 HB3 LEU 42 1HB LEU 42 6.457 0.506 -1.532
291 HG LEU 42 HG LEU 42 6.845 3.410 -2.140
292 HD11 LEU 42 1HD1 LEU 42 7.579 3.457 0.247
293 HD12 LEU 42 2HD1 LEU 42 7.189 1.728 0.353
294 HD13 LEU 42 3HD1 LEU 42 5.909 2.883 0.075
295 HD21 LEU 42 3HD2 LEU 42 8.841 1.233 -1.459
296 HD22 LEU 42 1HD2 LEU 42 9.213 2.949 -1.626
297 HD23 LEU 42 2HD2 LEU 42 8.674 2.027 -3.027
298 H PHE 43 H PHE 43 6.832 -1.290 -4.154
299 HA PHE 43 HA PHE 43 4.466 -2.640 -3.991
300 HB2 PHE 43 2HB PHE 43 5.986 -4.545 -4.423
301 HB3 PHE 43 1HB PHE 43 6.399 -3.080 -5.339
302 HD1 PHE 43 1HD PHE 43 7.519 -5.156 -2.481
303 HD2 PHE 43 2HD PHE 43 8.467 -2.009 -5.189
304 HE1 PHE 43 1HE PHE 43 9.853 -5.197 -1.711
305 HE2 PHE 43 2HE PHE 43 10.802 -2.050 -4.422
306 HZ PHE 43 HZ PHE 43 11.496 -3.643 -2.681
307 H LEU 44 H LEU 44 3.954 -4.149 -2.092
308 HA LEU 44 HA LEU 44 5.204 -3.238 0.171
309 HB2 LEU 44 2HB LEU 44 2.651 -3.557 -0.037
310 HB3 LEU 44 1HB LEU 44 3.042 -5.267 0.091
311 HG LEU 44 HG LEU 44 3.765 -5.058 2.357
312 HD11 LEU 44 1HD1 LEU 44 3.271 -2.097 2.066
313 HD12 LEU 44 2HD1 LEU 44 4.851 -2.870 2.231
314 HD13 LEU 44 3HD1 LEU 44 3.693 -2.934 3.557
315 HD21 LEU 44 3HD2 LEU 44 1.374 -5.300 1.976
316 HD22 LEU 44 1HD2 LEU 44 1.200 -3.547 1.905
317 HD23 LEU 44 2HD2 LEU 44 1.690 -4.323 3.410
318 H ARG 45 H ARG 45 5.267 -5.466 1.755
319 HA ARG 45 HA ARG 45 7.198 -7.145 0.514
320 HB2 ARG 45 2HB ARG 45 6.170 -6.707 3.190
321 HB3 ARG 45 1HB ARG 45 7.283 -8.092 2.916
322 HG2 ARG 45 2HG ARG 45 8.924 -6.375 2.067
323 HG3 ARG 45 1HG ARG 45 7.784 -5.117 2.549
324 HD2 ARG 45 2HD ARG 45 7.928 -5.898 4.874
325 HD3 ARG 45 1HD ARG 45 9.079 -7.139 4.381
326 HE ARG 45 HE ARG 45 9.935 -4.571 3.583
327 HH11 ARG 45 1HH1 ARG 45 9.755 -6.666 6.437
328 HH12 ARG 45 2HH1 ARG 45 11.043 -5.943 7.271
329 HH21 ARG 45 1HH2 ARG 45 11.755 -3.530 4.735
330 HH22 ARG 45 2HH2 ARG 45 12.219 -4.095 6.264
331 H LYS 46 H LYS 46 7.078 -9.582 1.003
332 HA LYS 46 HA LYS 46 4.387 -10.412 0.321
333 HB2 LYS 46 2HB LYS 46 5.259 -12.552 -0.443
334 HB3 LYS 46 1HB LYS 46 6.137 -11.242 -1.202
335 HG2 LYS 46 2HG LYS 46 7.689 -12.966 -0.793
336 HG3 LYS 46 1HG LYS 46 8.001 -11.766 0.452
337 HD2 LYS 46 2HD LYS 46 8.048 -14.183 1.220
338 HD3 LYS 46 1HD LYS 46 6.981 -13.127 2.135
339 HE2 LYS 46 2HE LYS 46 5.972 -15.345 1.686
340 HE3 LYS 46 1HE LYS 46 5.030 -14.040 0.998
341 HZ1 LYS 46 3HZ LYS 46 6.687 -16.057 -0.464
342 HZ2 LYS 46 1HZ LYS 46 6.098 -14.640 -1.210
343 HZ3 LYS 46 2HZ LYS 46 5.054 -15.714 -0.555
344 H GLY 47 H GLY 47 3.492 -12.405 1.182
345 HA2 GLY 47 2HA GLY 47 2.972 -13.805 2.916
346 HA3 GLY 47 1HA GLY 47 4.363 -13.195 3.819
347 H LYS 48 H LYS 48 2.540 -10.717 2.551
348 HA LYS 48 HA LYS 48 1.564 -10.036 5.198
349 HB2 LYS 48 2HB LYS 48 2.570 -8.596 3.222
350 HB3 LYS 48 1HB LYS 48 0.904 -8.518 2.714
351 HG2 LYS 48 2HG LYS 48 1.866 -7.627 5.446
352 HG3 LYS 48 1HG LYS 48 1.643 -6.549 4.087
353 HD2 LYS 48 2HD LYS 48 -0.643 -8.217 5.124
354 HD3 LYS 48 1HD LYS 48 -0.198 -6.722 5.933
355 HE2 LYS 48 2HE LYS 48 -1.940 -6.108 4.471
356 HE3 LYS 48 1HE LYS 48 -0.482 -5.606 3.634
357 HZ1 LYS 48 3HZ LYS 48 -1.967 -6.641 2.096
358 HZ2 LYS 48 1HZ LYS 48 -2.128 -8.015 3.072
359 HZ3 LYS 48 2HZ LYS 48 -0.672 -7.667 2.279
360 HA PRO 49 HA PRO 49 -2.346 -12.240 4.430
361 HB2 PRO 49 2HB PRO 49 -3.231 -10.125 6.363
362 HB3 PRO 49 1HB PRO 49 -3.574 -11.870 6.385
363 HG2 PRO 49 2HG PRO 49 -1.792 -10.895 8.038
364 HG3 PRO 49 1HG PRO 49 -1.500 -12.434 7.201
365 HD2 PRO 49 2HD PRO 49 -0.272 -9.775 6.702
366 HD3 PRO 49 1HD PRO 49 0.416 -11.400 6.513
367 H CYS 50 H CYS 50 -3.571 -11.823 2.710
368 HA CYS 50 HA CYS 50 -4.162 -9.069 2.136
369 HB2 CYS 50 2HB CYS 50 -4.018 -9.517 -0.219
370 HB3 CYS 50 1HB CYS 50 -2.557 -10.095 0.548
371 H THR 51 H THR 51 -5.896 -9.735 -0.026
372 HA THR 51 HA THR 51 -8.357 -9.849 1.201
373 HB THR 51 HB THR 51 -9.051 -10.080 -1.236
374 HG1 THR 51 1HG THR 51 -7.489 -10.317 -2.727
375 HG21 THR 51 3HG2 THR 51 -6.802 -8.170 -0.720
376 HG22 THR 51 1HG2 THR 51 -8.454 -7.874 -0.152
377 HG23 THR 51 2HG2 THR 51 -8.084 -7.956 -1.891
378 H VAL 52 H VAL 52 -6.592 -12.096 -0.722
379 HA VAL 52 HA VAL 52 -8.533 -14.219 -0.152
380 HB VAL 52 HB VAL 52 -7.766 -15.267 -2.225
381 HG11 VAL 52 1HG1 VAL 52 -8.665 -13.486 -3.759
382 HG12 VAL 52 2HG1 VAL 52 -8.619 -12.362 -2.384
383 HG13 VAL 52 3HG1 VAL 52 -9.655 -13.781 -2.331
384 HG21 VAL 52 3HG2 VAL 52 -6.188 -14.258 -3.694
385 HG22 VAL 52 1HG2 VAL 52 -5.429 -14.280 -2.124
386 HG23 VAL 52 2HG2 VAL 52 -6.097 -12.770 -2.792
387 H GLY 53 H GLY 53 -5.553 -13.415 1.028
388 HA2 GLY 53 2HA GLY 53 -5.050 -15.643 2.377
389 HA3 GLY 53 1HA GLY 53 -4.251 -15.934 0.820
390 H PHE 54 H PHE 54 -2.231 -15.287 0.701
391 HA PHE 54 HA PHE 54 -1.324 -13.024 2.394
392 HB2 PHE 54 2HB PHE 54 0.250 -15.470 1.532
393 HB3 PHE 54 1HB PHE 54 0.946 -14.095 2.385
394 HD1 PHE 54 2HD PHE 54 0.187 -13.616 4.719
395 HD2 PHE 54 1HD PHE 54 -0.858 -17.196 2.673
396 HE1 PHE 54 2HE PHE 54 -0.383 -14.670 6.865
397 HE2 PHE 54 1HE PHE 54 -1.434 -18.258 4.817
398 HZ PHE 54 HZ PHE 54 -1.196 -16.994 6.917
399 H CYS 55 H CYS 55 0.534 -11.821 1.328
400 HA CYS 55 HA CYS 55 -0.066 -11.689 -1.573
401 HB2 CYS 55 2HB CYS 55 1.581 -9.799 -0.002
402 HB3 CYS 55 1HB CYS 55 0.897 -9.573 -1.595
403 H ASP 56 H ASP 56 1.676 -11.158 -2.977
404 HA ASP 56 HA ASP 56 4.266 -11.860 -1.927
405 HB2 ASP 56 2HB ASP 56 4.963 -12.635 -4.058
406 HB3 ASP 56 1HB ASP 56 3.239 -12.944 -4.192
407 H MET 57 H MET 57 5.839 -10.343 -3.768
408 HA MET 57 HA MET 57 5.629 -7.733 -2.579
409 HB2 MET 57 2HB MET 57 7.468 -8.884 -4.679
410 HB3 MET 57 1HB MET 57 7.622 -7.257 -4.027
411 HG2 MET 57 2HG MET 57 8.160 -8.058 -1.879
412 HG3 MET 57 1HG MET 57 7.638 -9.690 -2.276
413 HE1 MET 57 3HE MET 57 11.459 -7.793 -4.082
414 HE2 MET 57 1HE MET 57 10.368 -6.912 -3.013
415 HE3 MET 57 2HE MET 57 9.833 -7.383 -4.626
416 H ASN 58 H ASN 58 4.783 -9.181 -5.645
417 HA ASN 58 HA ASN 58 4.401 -6.703 -7.057
418 HB2 ASN 58 2HB ASN 58 3.530 -9.530 -7.681
419 HB3 ASN 58 1HB ASN 58 3.269 -8.168 -8.760
420 HD21 ASN 58 1HD2 ASN 58 5.608 -10.326 -7.363
421 HD22 ASN 58 2HD2 ASN 58 6.883 -9.944 -8.473
422 H GLY 59 H GLY 59 2.475 -8.823 -5.131
423 HA2 GLY 59 2HA GLY 59 0.596 -7.778 -3.991
424 HA3 GLY 59 1HA GLY 59 0.169 -7.031 -5.532
425 H LYS 60 H LYS 60 1.337 -10.222 -5.803
426 HA LYS 60 HA LYS 60 -1.344 -11.338 -6.363
427 HB2 LYS 60 2HB LYS 60 1.496 -12.375 -6.566
428 HB3 LYS 60 1HB LYS 60 0.122 -13.450 -6.568
429 HG2 LYS 60 2HG LYS 60 0.905 -13.167 -8.810
430 HG3 LYS 60 1HG LYS 60 -0.666 -12.401 -8.615
431 HD2 LYS 60 2HD LYS 60 1.833 -10.755 -8.367
432 HD3 LYS 60 1HD LYS 60 1.240 -11.187 -9.969
433 HE2 LYS 60 2HE LYS 60 -0.890 -10.144 -9.480
434 HE3 LYS 60 1HE LYS 60 -0.363 -9.796 -7.838
435 HZ1 LYS 60 3HZ LYS 60 0.785 -8.628 -10.323
436 HZ2 LYS 60 1HZ LYS 60 1.296 -8.287 -8.718
437 HZ3 LYS 60 2HZ LYS 60 -0.279 -7.931 -9.215
438 H CYS 61 H CYS 61 -1.745 -13.360 -5.463
439 HA CYS 61 HA CYS 61 -1.042 -13.154 -2.707
440 HB2 CYS 61 2HB CYS 61 -3.582 -12.995 -4.044
441 HB3 CYS 61 1HB CYS 61 -3.590 -13.895 -2.473
442 H GLU 62 H GLU 62 -1.156 -14.951 -1.543
443 HA GLU 62 HA GLU 62 -0.634 -17.390 -2.994
444 HB2 GLU 62 2HB GLU 62 0.516 -16.439 -0.333
445 HB3 GLU 62 1HB GLU 62 0.985 -17.889 -1.202
446 HG2 GLU 62 2HG GLU 62 1.975 -16.527 -2.979
447 HG3 GLU 62 1HG GLU 62 1.441 -15.060 -2.172
Start of MODEL 20
1 H PHE 1 1HT PHE 1 4.869 3.427 6.706
2 HA PHE 1 HA PHE 1 4.690 3.956 3.857
3 HB2 PHE 1 2HB PHE 1 3.323 1.703 5.305
4 HB3 PHE 1 1HB PHE 1 2.754 2.424 3.785
5 HD1 PHE 1 1HD PHE 1 4.342 2.551 1.868
6 HD2 PHE 1 2HD PHE 1 4.966 0.014 5.220
7 HE1 PHE 1 1HE PHE 1 5.924 1.176 0.536
8 HE2 PHE 1 2HE PHE 1 6.531 -1.362 3.913
9 HZ PHE 1 HZ PHE 1 7.014 -0.781 1.566
10 H CYS 2 H CYS 2 3.588 5.363 3.423
11 HA CYS 2 HA CYS 2 2.419 7.307 3.422
12 HB2 CYS 2 2HB CYS 2 0.494 5.770 5.125
13 HB3 CYS 2 1HB CYS 2 0.117 7.127 4.059
14 H GLU 3 H GLU 3 3.036 6.059 6.511
15 HA GLU 3 HA GLU 3 2.012 7.809 8.403
16 HB2 GLU 3 2HB GLU 3 4.656 6.398 8.572
17 HB3 GLU 3 1HB GLU 3 3.678 6.950 9.915
18 HG2 GLU 3 2HG GLU 3 2.226 5.189 9.747
19 HG3 GLU 3 1HG GLU 3 2.495 4.991 8.010
20 H ARG 4 H ARG 4 5.407 7.985 7.305
21 HA ARG 4 HA ARG 4 5.571 10.478 8.694
22 HB2 ARG 4 2HB ARG 4 7.737 8.644 7.680
23 HB3 ARG 4 1HB ARG 4 8.010 10.080 8.671
24 HG2 ARG 4 2HG ARG 4 7.010 9.122 10.541
25 HG3 ARG 4 1HG ARG 4 6.207 7.884 9.583
26 HD2 ARG 4 2HD ARG 4 8.575 7.036 9.057
27 HD3 ARG 4 1HD ARG 4 9.088 8.046 10.419
28 HE ARG 4 HE ARG 4 8.074 6.622 11.863
29 HH11 ARG 4 1HH1 ARG 4 7.256 5.668 8.528
30 HH12 ARG 4 2HH1 ARG 4 6.136 4.467 9.000
31 HH21 ARG 4 1HH2 ARG 4 6.489 4.813 12.475
32 HH22 ARG 4 2HH2 ARG 4 5.674 4.049 11.185
33 H GLU 5 H GLU 5 6.098 8.796 5.724
34 HA GLU 5 HA GLU 5 7.273 10.672 4.173
35 HB2 GLU 5 2HB GLU 5 6.011 9.319 2.393
36 HB3 GLU 5 1HB GLU 5 7.384 8.607 3.321
37 HG2 GLU 5 2HG GLU 5 4.493 8.162 4.037
38 HG3 GLU 5 1HG GLU 5 5.245 7.204 2.774
39 H GLN 6 H GLN 6 3.810 10.088 4.653
40 HA GLN 6 HA GLN 6 3.279 12.561 3.084
41 HB2 GLN 6 2HB GLN 6 1.487 10.162 3.369
42 HB3 GLN 6 1HB GLN 6 1.144 11.612 2.444
43 HG2 GLN 6 2HG GLN 6 3.341 9.678 1.941
44 HG3 GLN 6 1HG GLN 6 1.757 9.744 1.107
45 HE21 GLN 6 1HE2 GLN 6 4.575 10.075 0.013
46 HE22 GLN 6 2HE2 GLN 6 4.544 11.624 -0.736
47 H GLN 7 H GLN 7 3.012 10.911 6.037
48 HA GLN 7 HA GLN 7 2.217 11.194 7.815
49 HB2 GLN 7 2HB GLN 7 1.381 13.956 6.928
50 HB3 GLN 7 1HB GLN 7 1.267 13.422 8.607
51 HG2 GLN 7 2HG GLN 7 3.608 13.013 8.712
52 HG3 GLN 7 1HG GLN 7 3.774 13.315 6.989
53 HE21 GLN 7 1HE2 GLN 7 5.284 14.914 7.326
54 HE22 GLN 7 2HE2 GLN 7 4.884 16.474 7.977
55 H LEU 8 H LEU 8 0.786 10.162 5.703
56 HA LEU 8 HA LEU 8 -2.110 10.205 6.379
57 HB2 LEU 8 2HB LEU 8 -0.530 8.890 4.195
58 HB3 LEU 8 1HB LEU 8 -2.275 8.775 4.402
59 HG LEU 8 HG LEU 8 -0.770 11.242 4.006
60 HD11 LEU 8 1HD1 LEU 8 -2.129 9.443 1.949
61 HD12 LEU 8 2HD1 LEU 8 -0.415 9.910 1.966
62 HD13 LEU 8 3HD1 LEU 8 -1.654 11.096 1.574
63 HD21 LEU 8 3HD2 LEU 8 -2.918 11.667 4.941
64 HD22 LEU 8 1HD2 LEU 8 -3.700 10.643 3.736
65 HD23 LEU 8 2HD2 LEU 8 -2.970 12.174 3.254
66 H GLU 9 H GLU 9 -2.923 8.166 6.260
67 HA GLU 9 HA GLU 9 -1.414 6.275 8.004
68 HB2 GLU 9 2HB GLU 9 -3.946 6.932 8.401
69 HB3 GLU 9 1HB GLU 9 -4.091 5.888 6.966
70 HG2 GLU 9 2HG GLU 9 -3.065 4.034 8.222
71 HG3 GLU 9 1HG GLU 9 -3.190 5.018 9.687
72 H SER 10 H SER 10 -0.819 4.327 7.088
73 HA SER 10 HA SER 10 -1.162 3.988 4.343
74 HB2 SER 10 2HB SER 10 0.023 2.014 4.759
75 HB3 SER 10 1HB SER 10 0.695 3.487 5.595
76 HG SER 10 HG SER 10 -1.045 1.995 7.114
77 H CYS 11 H CYS 11 -2.509 2.372 3.520
78 HA CYS 11 HA CYS 11 -4.303 1.110 5.415
79 HB2 CYS 11 2HB CYS 11 -6.323 2.115 4.628
80 HB3 CYS 11 1HB CYS 11 -5.210 3.483 4.612
81 H ALA 12 H ALA 12 -5.757 -0.483 4.119
82 HA ALA 12 HA ALA 12 -4.140 -1.439 1.882
83 HB1 ALA 12 1HB ALA 12 -5.774 -3.072 3.832
84 HB2 ALA 12 2HB ALA 12 -4.016 -2.935 3.826
85 HB3 ALA 12 3HB ALA 12 -4.844 -3.708 2.474
86 H CYS 13 H CYS 13 -5.129 -1.494 -0.011
87 HA CYS 13 HA CYS 13 -7.838 -0.766 -0.271
88 HB2 CYS 13 2HB CYS 13 -5.825 -1.862 -2.259
89 HB3 CYS 13 1HB CYS 13 -7.421 -1.298 -2.688
90 H ASN 14 H ASN 14 -9.603 -1.835 -0.472
91 HA ASN 14 HA ASN 14 -9.924 -4.388 0.622
92 HB2 ASN 14 2HB ASN 14 -11.611 -2.472 0.416
93 HB3 ASN 14 1HB ASN 14 -11.854 -2.992 -1.236
94 HD21 ASN 14 1HD2 ASN 14 -11.788 -5.923 -0.486
95 HD22 ASN 14 2HD2 ASN 14 -13.297 -6.168 0.327
96 H GLU 15 H GLU 15 -9.280 -3.383 -2.606
97 HA GLU 15 HA GLU 15 -10.250 -5.609 -3.867
98 HB2 GLU 15 2HB GLU 15 -9.958 -3.317 -4.864
99 HB3 GLU 15 1HB GLU 15 -8.225 -3.582 -4.816
100 HG2 GLU 15 2HG GLU 15 -10.075 -5.311 -6.425
101 HG3 GLU 15 1HG GLU 15 -9.335 -3.841 -7.056
102 H THR 16 H THR 16 -8.856 -7.426 -4.719
103 HA THR 16 HA THR 16 -7.043 -8.413 -2.825
104 HB THR 16 HB THR 16 -7.570 -9.307 -5.652
105 HG1 THR 16 1HG THR 16 -8.914 -9.492 -3.330
106 HG21 THR 16 3HG2 THR 16 -6.178 -10.846 -3.401
107 HG22 THR 16 1HG2 THR 16 -5.366 -10.083 -4.776
108 HG23 THR 16 2HG2 THR 16 -6.492 -11.420 -5.034
109 H ASP 17 H ASP 17 -6.444 -7.140 -6.080
110 HA ASP 17 HA ASP 17 -3.743 -7.819 -5.902
111 HB2 ASP 17 2HB ASP 17 -4.838 -7.567 -8.052
112 HB3 ASP 17 1HB ASP 17 -5.149 -5.868 -7.639
113 H ASN 18 H ASN 18 -5.622 -4.864 -5.431
114 HA ASN 18 HA ASN 18 -3.328 -3.282 -4.998
115 HB2 ASN 18 2HB ASN 18 -6.257 -2.707 -4.884
116 HB3 ASN 18 1HB ASN 18 -5.082 -1.533 -4.304
117 HD21 ASN 18 1HD2 ASN 18 -6.152 -3.349 -7.125
118 HD22 ASN 18 2HD2 ASN 18 -5.431 -2.298 -8.285
119 H SER 19 H SER 19 -4.726 -5.459 -3.074
120 HA SER 19 HA SER 19 -4.193 -3.944 -0.697
121 HB2 SER 19 2HB SER 19 -4.484 -6.094 0.629
122 HB3 SER 19 1HB SER 19 -5.859 -5.658 -0.383
123 HG SER 19 HG SER 19 -4.465 -7.231 -1.906
124 H CYS 20 H CYS 20 -2.320 -5.445 -2.945
125 HA CYS 20 HA CYS 20 -0.055 -5.610 -1.120
126 HB2 CYS 20 2HB CYS 20 -0.471 -6.674 -3.882
127 HB3 CYS 20 1HB CYS 20 1.088 -6.729 -3.075
128 H LYS 21 H LYS 21 -1.486 -3.290 -2.734
129 HA LYS 21 HA LYS 21 1.037 -1.908 -3.260
130 HB2 LYS 21 2HB LYS 21 -1.722 -1.615 -4.424
131 HB3 LYS 21 1HB LYS 21 -0.533 -0.318 -4.464
132 HG2 LYS 21 2HG LYS 21 -0.405 -1.314 -6.590
133 HG3 LYS 21 1HG LYS 21 0.957 -1.953 -5.657
134 HD2 LYS 21 2HD LYS 21 -0.274 -4.030 -5.275
135 HD3 LYS 21 1HD LYS 21 -1.634 -3.396 -6.209
136 HE2 LYS 21 2HE LYS 21 -0.147 -3.178 -8.174
137 HE3 LYS 21 1HE LYS 21 1.161 -3.893 -7.238
138 HZ1 LYS 21 3HZ LYS 21 0.077 -5.589 -8.632
139 HZ2 LYS 21 1HZ LYS 21 -1.400 -5.186 -7.992
140 HZ3 LYS 21 2HZ LYS 21 -0.292 -5.938 -7.030
141 H VAL 22 H VAL 22 1.316 -0.113 -2.725
142 HA VAL 22 HA VAL 22 0.573 0.163 -0.025
143 HB VAL 22 HB VAL 22 2.155 1.990 -1.789
144 HG11 VAL 22 1HG1 VAL 22 3.053 2.768 0.466
145 HG12 VAL 22 2HG1 VAL 22 1.667 1.865 1.160
146 HG13 VAL 22 3HG1 VAL 22 1.379 3.177 0.022
147 HG21 VAL 22 3HG2 VAL 22 2.989 -0.304 -1.621
148 HG22 VAL 22 1HG2 VAL 22 3.129 -0.149 0.129
149 HG23 VAL 22 2HG2 VAL 22 4.095 0.915 -0.932
150 H CYS 23 H CYS 23 -1.285 0.699 0.209
151 HA CYS 23 HA CYS 23 -2.353 3.121 -1.097
152 HB2 CYS 23 2HB CYS 23 -3.938 1.243 0.671
153 HB3 CYS 23 1HB CYS 23 -4.510 2.521 -0.416
154 H CYS 24 H CYS 24 -3.363 4.753 0.212
155 HA CYS 24 HA CYS 24 -2.473 4.910 2.967
156 HB2 CYS 24 2HB CYS 24 -2.378 7.111 0.867
157 HB3 CYS 24 1HB CYS 24 -1.967 7.287 2.561
158 H ARG 25 H ARG 25 -3.997 6.740 3.930
159 HA ARG 25 HA ARG 25 -6.335 6.701 2.233
160 HB2 ARG 25 2HB ARG 25 -7.831 6.481 4.038
161 HB3 ARG 25 1HB ARG 25 -6.689 5.148 4.113
162 HG2 ARG 25 2HG ARG 25 -5.667 5.878 5.832
163 HG3 ARG 25 1HG ARG 25 -6.200 7.607 5.664
164 HD2 ARG 25 2HD ARG 25 -7.703 7.000 7.290
165 HD3 ARG 25 1HD ARG 25 -8.511 6.281 5.888
166 HE ARG 25 HE ARG 25 -6.812 4.905 7.839
167 HH11 ARG 25 1HH1 ARG 25 -9.454 4.653 5.445
168 HH12 ARG 25 2HH1 ARG 25 -9.611 2.975 5.626
169 HH21 ARG 25 1HH2 ARG 25 -6.950 2.743 8.010
170 HH22 ARG 25 2HH2 ARG 25 -8.124 1.770 7.212
171 H ASP 26 H ASP 26 -7.805 8.305 2.787
172 HA ASP 26 HA ASP 26 -6.269 10.813 2.849
173 HB2 ASP 26 2HB ASP 26 -7.543 11.505 1.044
174 HB3 ASP 26 1HB ASP 26 -7.488 9.760 0.760
175 H LEU 27 H LEU 27 -8.301 12.369 2.918
176 HA LEU 27 HA LEU 27 -8.630 12.751 5.628
177 HB2 LEU 27 2HB LEU 27 -9.773 13.998 3.239
178 HB3 LEU 27 1HB LEU 27 -10.070 14.722 4.834
179 HG LEU 27 HG LEU 27 -8.405 16.043 3.888
180 HD11 LEU 27 1HD1 LEU 27 -6.275 15.564 4.958
181 HD12 LEU 27 2HD1 LEU 27 -6.836 13.930 5.312
182 HD13 LEU 27 3HD1 LEU 27 -7.647 15.314 6.045
183 HD21 LEU 27 3HD2 LEU 27 -7.122 13.572 2.754
184 HD22 LEU 27 1HD2 LEU 27 -6.553 15.227 2.487
185 HD23 LEU 27 2HD2 LEU 27 -8.136 14.688 1.871
186 H SER 28 H SER 28 -10.603 11.613 3.017
187 HA SER 28 HA SER 28 -13.001 11.527 4.539
188 HB2 SER 28 2HB SER 28 -12.920 12.062 2.070
189 HB3 SER 28 1HB SER 28 -12.461 10.393 1.772
190 HG SER 28 HG SER 28 -14.882 11.498 2.520
191 H GLY 29 H GLY 29 -10.265 9.806 4.365
192 HA2 GLY 29 2HA GLY 29 -9.577 8.044 5.272
193 HA3 GLY 29 1HA GLY 29 -11.193 7.655 5.887
194 H ARG 30 H ARG 30 -10.575 8.116 2.474
195 HA ARG 30 HA ARG 30 -11.419 5.388 1.970
196 HB2 ARG 30 2HB ARG 30 -10.766 7.601 0.012
197 HB3 ARG 30 1HB ARG 30 -11.571 6.088 -0.353
198 HG2 ARG 30 2HG ARG 30 -12.661 8.417 1.216
199 HG3 ARG 30 1HG ARG 30 -13.196 7.846 -0.363
200 HD2 ARG 30 2HD ARG 30 -13.759 5.659 0.831
201 HD3 ARG 30 1HD ARG 30 -13.558 6.566 2.329
202 HE ARG 30 HE ARG 30 -15.535 7.105 0.239
203 HH11 ARG 30 1HH1 ARG 30 -14.483 7.757 3.566
204 HH12 ARG 30 2HH1 ARG 30 -16.009 8.107 4.165
205 HH21 ARG 30 1HH2 ARG 30 -17.713 7.619 1.062
206 HH22 ARG 30 2HH2 ARG 30 -17.916 8.032 2.700
207 H CYS 31 H CYS 31 -10.130 4.070 0.520
208 HA CYS 31 HA CYS 31 -7.351 4.493 1.043
209 HB2 CYS 31 2HB CYS 31 -8.914 2.130 0.148
210 HB3 CYS 31 1HB CYS 31 -7.178 2.186 -0.171
211 H VAL 32 H VAL 32 -6.053 5.421 -0.176
212 HA VAL 32 HA VAL 32 -6.600 5.444 -2.919
213 HB VAL 32 HB VAL 32 -5.120 7.648 -2.868
214 HG11 VAL 32 1HG1 VAL 32 -7.203 8.938 -2.764
215 HG12 VAL 32 2HG1 VAL 32 -8.018 7.526 -2.069
216 HG13 VAL 32 3HG1 VAL 32 -7.330 7.444 -3.705
217 HG21 VAL 32 3HG2 VAL 32 -4.852 7.308 -0.333
218 HG22 VAL 32 1HG2 VAL 32 -6.492 7.930 -0.168
219 HG23 VAL 32 2HG2 VAL 32 -5.248 8.948 -0.880
220 HA PRO 33 HA PRO 33 -2.728 3.353 -3.239
221 HB2 PRO 33 2HB PRO 33 -2.187 3.945 -5.864
222 HB3 PRO 33 1HB PRO 33 -3.368 2.710 -5.377
223 HG2 PRO 33 2HG PRO 33 -3.850 5.511 -6.253
224 HG3 PRO 33 1HG PRO 33 -4.757 4.034 -6.640
225 HD2 PRO 33 2HD PRO 33 -5.653 5.782 -4.771
226 HD3 PRO 33 1HD PRO 33 -5.891 4.031 -4.638
227 H TYR 34 H TYR 34 -0.768 4.072 -2.465
228 HA TYR 34 HA TYR 34 0.000 6.766 -2.523
229 HB2 TYR 34 2HB TYR 34 0.700 5.209 -0.820
230 HB3 TYR 34 1HB TYR 34 1.530 4.241 -2.052
231 HD1 TYR 34 1HD TYR 34 3.775 5.180 -3.100
232 HD2 TYR 34 2HD TYR 34 1.693 7.074 0.138
233 HE1 TYR 34 1HE TYR 34 5.585 6.297 -2.698
234 HE2 TYR 34 2HE TYR 34 3.754 8.352 0.601
235 HH TYR 34 HH TYR 34 6.517 8.350 -1.509
236 H VAL 35 H VAL 35 1.374 7.767 -3.812
237 HA VAL 35 HA VAL 35 2.959 6.274 -5.705
238 HB VAL 35 HB VAL 35 2.264 8.962 -6.482
239 HG11 VAL 35 1HG1 VAL 35 3.589 7.598 -7.803
240 HG12 VAL 35 2HG1 VAL 35 2.158 8.068 -8.717
241 HG13 VAL 35 3HG1 VAL 35 2.290 6.427 -8.053
242 HG21 VAL 35 3HG2 VAL 35 0.042 8.595 -7.460
243 HG22 VAL 35 1HG2 VAL 35 0.027 8.349 -5.711
244 HG23 VAL 35 2HG2 VAL 35 0.021 6.954 -6.798
245 H ASP 36 H ASP 36 4.833 6.863 -5.701
246 HA ASP 36 HA ASP 36 5.740 8.854 -3.734
247 HB2 ASP 36 2HB ASP 36 6.521 6.368 -4.285
248 HB3 ASP 36 1HB ASP 36 7.356 7.259 -5.590
249 H ALA 37 H ALA 37 7.464 9.865 -4.328
250 HA ALA 37 HA ALA 37 6.048 11.922 -5.090
251 HB1 ALA 37 1HB ALA 37 7.961 13.264 -4.597
252 HB2 ALA 37 2HB ALA 37 8.993 11.835 -4.914
253 HB3 ALA 37 3HB ALA 37 7.784 11.778 -3.615
254 H GLU 38 H GLU 38 8.298 10.076 -7.155
255 HA GLU 38 HA GLU 38 8.181 11.875 -9.249
256 HB2 GLU 38 2HB GLU 38 9.246 9.258 -8.815
257 HB3 GLU 38 1HB GLU 38 9.770 10.227 -10.230
258 HG2 GLU 38 2HG GLU 38 11.523 10.835 -8.852
259 HG3 GLU 38 1HG GLU 38 10.304 11.707 -7.900
260 H GLN 39 H GLN 39 5.871 9.933 -8.136
261 HA GLN 39 HA GLN 39 4.254 8.956 -8.779
262 HB2 GLN 39 2HB GLN 39 5.439 9.663 -11.256
263 HB3 GLN 39 1HB GLN 39 3.909 8.701 -11.357
264 HG2 GLN 39 2HG GLN 39 2.932 10.502 -9.908
265 HG3 GLN 39 1HG GLN 39 4.463 11.356 -10.032
266 HE21 GLN 39 1HE2 GLN 39 1.779 12.181 -10.819
267 HE22 GLN 39 2HE2 GLN 39 1.869 12.541 -12.517
268 H LYS 40 H LYS 40 6.481 7.522 -7.872
269 HA LYS 40 HA LYS 40 6.722 5.084 -9.385
270 HB2 LYS 40 2HB LYS 40 7.166 5.647 -6.524
271 HB3 LYS 40 1HB LYS 40 7.682 4.178 -7.342
272 HG2 LYS 40 2HG LYS 40 9.105 5.653 -8.676
273 HG3 LYS 40 1HG LYS 40 8.760 6.953 -7.481
274 HD2 LYS 40 2HD LYS 40 9.406 5.160 -5.705
275 HD3 LYS 40 1HD LYS 40 10.137 4.277 -7.035
276 HE2 LYS 40 2HE LYS 40 11.911 5.435 -6.016
277 HE3 LYS 40 1HE LYS 40 11.518 6.391 -7.443
278 HZ1 LYS 40 3HZ LYS 40 10.352 7.955 -6.099
279 HZ2 LYS 40 1HZ LYS 40 11.834 7.779 -5.441
280 HZ3 LYS 40 2HZ LYS 40 10.441 7.091 -4.722
281 H ASN 41 H ASN 41 5.615 3.295 -8.911
282 HA ASN 41 HA ASN 41 3.442 3.522 -6.963
283 HB2 ASN 41 2HB ASN 41 3.203 2.676 -9.448
284 HB3 ASN 41 1HB ASN 41 3.950 1.248 -8.712
285 HD21 ASN 41 1HD2 ASN 41 1.093 3.302 -8.419
286 HD22 ASN 41 2HD2 ASN 41 0.110 2.092 -7.676
287 H LEU 42 H LEU 42 3.220 1.310 -5.806
288 HA LEU 42 HA LEU 42 5.892 0.318 -5.099
289 HB2 LEU 42 2HB LEU 42 4.022 1.432 -3.052
290 HB3 LEU 42 1HB LEU 42 5.542 0.645 -2.727
291 HG LEU 42 HG LEU 42 5.151 3.352 -4.008
292 HD11 LEU 42 1HD1 LEU 42 4.713 2.844 -1.494
293 HD12 LEU 42 2HD1 LEU 42 5.673 4.249 -1.972
294 HD13 LEU 42 3HD1 LEU 42 6.482 2.779 -1.385
295 HD21 LEU 42 3HD2 LEU 42 7.585 3.568 -3.800
296 HD22 LEU 42 1HD2 LEU 42 7.171 2.224 -4.865
297 HD23 LEU 42 2HD2 LEU 42 7.691 1.909 -3.208
298 H PHE 43 H PHE 43 5.642 -1.879 -5.156
299 HA PHE 43 HA PHE 43 3.335 -3.074 -4.329
300 HB2 PHE 43 2HB PHE 43 4.579 -5.122 -4.836
301 HB3 PHE 43 1HB PHE 43 4.952 -3.801 -5.962
302 HD1 PHE 43 1HD PHE 43 7.102 -2.746 -6.072
303 HD2 PHE 43 2HD PHE 43 6.369 -5.960 -3.377
304 HE1 PHE 43 1HE PHE 43 9.522 -3.033 -5.759
305 HE2 PHE 43 2HE PHE 43 8.788 -6.242 -3.056
306 HZ PHE 43 HZ PHE 43 10.369 -4.781 -4.246
307 H LEU 44 H LEU 44 2.976 -3.996 -2.243
308 HA LEU 44 HA LEU 44 4.056 -2.880 -0.086
309 HB2 LEU 44 2HB LEU 44 1.812 -4.136 -0.448
310 HB3 LEU 44 1HB LEU 44 2.777 -5.554 -0.064
311 HG LEU 44 HG LEU 44 3.157 -4.802 2.194
312 HD11 LEU 44 1HD1 LEU 44 1.600 -2.339 1.415
313 HD12 LEU 44 2HD1 LEU 44 3.317 -2.404 1.830
314 HD13 LEU 44 3HD1 LEU 44 2.101 -2.764 3.050
315 HD21 LEU 44 3HD2 LEU 44 1.104 -6.035 1.727
316 HD22 LEU 44 1HD2 LEU 44 0.263 -4.518 1.407
317 HD23 LEU 44 2HD2 LEU 44 0.868 -4.867 3.027
318 H ARG 45 H ARG 45 4.716 -4.758 1.757
319 HA ARG 45 HA ARG 45 7.214 -5.722 0.820
320 HB2 ARG 45 2HB ARG 45 5.863 -5.509 3.372
321 HB3 ARG 45 1HB ARG 45 7.482 -6.296 3.279
322 HG2 ARG 45 2HG ARG 45 6.639 -3.395 2.844
323 HG3 ARG 45 1HG ARG 45 7.746 -4.001 4.068
324 HD2 ARG 45 2HD ARG 45 9.107 -2.922 2.455
325 HD3 ARG 45 1HD ARG 45 9.288 -4.643 2.127
326 HE ARG 45 HE ARG 45 7.265 -3.859 0.472
327 HH11 ARG 45 1HH1 ARG 45 10.618 -2.815 0.879
328 HH12 ARG 45 2HH1 ARG 45 10.785 -2.218 -0.704
329 HH21 ARG 45 1HH2 ARG 45 7.447 -3.013 -1.689
330 HH22 ARG 45 2HH2 ARG 45 8.903 -2.345 -2.223
331 H LYS 46 H LYS 46 7.848 -7.992 1.542
332 HA LYS 46 HA LYS 46 5.709 -9.678 0.552
333 HB2 LYS 46 2HB LYS 46 7.333 -11.228 -0.142
334 HB3 LYS 46 1HB LYS 46 8.148 -9.690 -0.333
335 HG2 LYS 46 2HG LYS 46 9.174 -10.142 1.964
336 HG3 LYS 46 1HG LYS 46 8.575 -11.784 1.775
337 HD2 LYS 46 2HD LYS 46 10.608 -10.341 0.063
338 HD3 LYS 46 1HD LYS 46 10.872 -11.747 1.078
339 HE2 LYS 46 2HE LYS 46 9.269 -11.647 -1.498
340 HE3 LYS 46 1HE LYS 46 10.860 -12.357 -1.286
341 HZ1 LYS 46 3HZ LYS 46 8.233 -13.338 -0.340
342 HZ2 LYS 46 1HZ LYS 46 9.693 -14.009 0.271
343 HZ3 LYS 46 2HZ LYS 46 9.263 -14.007 -1.378
344 H GLY 47 H GLY 47 4.728 -11.225 1.518
345 HA2 GLY 47 2HA GLY 47 4.034 -12.727 3.089
346 HA3 GLY 47 1HA GLY 47 5.586 -12.538 3.946
347 H LYS 48 H LYS 48 3.199 -10.141 3.004
348 HA LYS 48 HA LYS 48 2.564 -9.706 5.802
349 HB2 LYS 48 2HB LYS 48 2.772 -8.027 3.395
350 HB3 LYS 48 1HB LYS 48 2.107 -7.345 4.914
351 HG2 LYS 48 2HG LYS 48 4.911 -8.402 4.375
352 HG3 LYS 48 1HG LYS 48 4.470 -6.711 4.611
353 HD2 LYS 48 2HD LYS 48 4.128 -6.984 6.892
354 HD3 LYS 48 1HD LYS 48 3.868 -8.718 6.770
355 HE2 LYS 48 2HE LYS 48 6.506 -7.329 6.326
356 HE3 LYS 48 1HE LYS 48 6.023 -8.137 7.817
357 HZ1 LYS 48 3HZ LYS 48 7.325 -9.701 6.586
358 HZ2 LYS 48 1HZ LYS 48 6.466 -9.432 5.152
359 HZ3 LYS 48 2HZ LYS 48 5.715 -10.187 6.413
360 HA PRO 49 HA PRO 49 -1.371 -11.236 4.623
361 HB2 PRO 49 2HB PRO 49 -2.934 -9.941 6.470
362 HB3 PRO 49 1HB PRO 49 -1.940 -11.360 6.855
363 HG2 PRO 49 2HG PRO 49 -1.358 -8.490 7.336
364 HG3 PRO 49 1HG PRO 49 -1.046 -9.900 8.373
365 HD2 PRO 49 2HD PRO 49 0.902 -8.755 6.934
366 HD3 PRO 49 1HD PRO 49 0.854 -10.504 7.228
367 H CYS 50 H CYS 50 -2.687 -10.710 3.052
368 HA CYS 50 HA CYS 50 -3.492 -7.961 2.756
369 HB2 CYS 50 2HB CYS 50 -3.364 -8.231 0.341
370 HB3 CYS 50 1HB CYS 50 -1.810 -8.635 1.045
371 H THR 51 H THR 51 -5.229 -8.801 0.538
372 HA THR 51 HA THR 51 -7.597 -9.348 1.868
373 HB THR 51 HB THR 51 -8.300 -10.009 -0.537
374 HG1 THR 51 1HG THR 51 -5.894 -8.720 -1.250
375 HG21 THR 51 3HG2 THR 51 -8.671 -7.815 0.539
376 HG22 THR 51 1HG2 THR 51 -8.286 -7.685 -1.194
377 HG23 THR 51 2HG2 THR 51 -7.031 -7.371 0.010
378 H VAL 52 H VAL 52 -6.090 -11.369 -0.466
379 HA VAL 52 HA VAL 52 -7.574 -13.663 0.470
380 HB VAL 52 HB VAL 52 -6.794 -14.857 -1.506
381 HG11 VAL 52 1HG1 VAL 52 -8.776 -13.477 -1.703
382 HG12 VAL 52 2HG1 VAL 52 -7.839 -13.351 -3.200
383 HG13 VAL 52 3HG1 VAL 52 -7.781 -12.054 -2.008
384 HG21 VAL 52 3HG2 VAL 52 -5.343 -12.333 -2.278
385 HG22 VAL 52 1HG2 VAL 52 -5.365 -13.840 -3.169
386 HG23 VAL 52 2HG2 VAL 52 -4.510 -13.745 -1.621
387 H GLY 53 H GLY 53 -4.236 -12.750 0.526
388 HA2 GLY 53 2HA GLY 53 -3.680 -14.854 2.369
389 HA3 GLY 53 1HA GLY 53 -2.924 -15.025 0.776
390 H PHE 54 H PHE 54 -0.898 -14.364 0.775
391 HA PHE 54 HA PHE 54 -0.313 -11.961 2.326
392 HB2 PHE 54 2HB PHE 54 1.899 -12.765 2.768
393 HB3 PHE 54 1HB PHE 54 0.639 -14.010 3.111
394 HD1 PHE 54 1HD PHE 54 0.662 -16.115 2.050
395 HD2 PHE 54 2HD PHE 54 3.416 -13.099 0.845
396 HE1 PHE 54 1HE PHE 54 1.931 -17.787 0.768
397 HE2 PHE 54 2HE PHE 54 4.683 -14.765 -0.444
398 HZ PHE 54 HZ PHE 54 3.943 -17.113 -0.482
399 H CYS 55 H CYS 55 1.162 -10.593 1.516
400 HA CYS 55 HA CYS 55 1.109 -10.316 -1.392
401 HB2 CYS 55 2HB CYS 55 2.152 -8.626 0.819
402 HB3 CYS 55 1HB CYS 55 2.355 -8.203 -0.873
403 H ASP 56 H ASP 56 2.769 -10.964 -2.626
404 HA ASP 56 HA ASP 56 5.326 -10.955 -1.177
405 HB2 ASP 56 2HB ASP 56 4.494 -13.218 -2.239
406 HB3 ASP 56 1HB ASP 56 5.153 -12.532 -3.730
407 H MET 57 H MET 57 7.150 -10.984 -3.304
408 HA MET 57 HA MET 57 7.291 -8.152 -3.613
409 HB2 MET 57 2HB MET 57 9.066 -10.352 -4.618
410 HB3 MET 57 1HB MET 57 9.375 -8.654 -4.961
411 HG2 MET 57 2HG MET 57 9.572 -8.166 -2.620
412 HG3 MET 57 1HG MET 57 9.101 -9.806 -2.203
413 HE1 MET 57 3HE MET 57 11.544 -8.698 -5.126
414 HE2 MET 57 1HE MET 57 13.090 -8.712 -4.281
415 HE3 MET 57 2HE MET 57 11.858 -7.528 -3.845
416 H ASN 58 H ASN 58 5.601 -10.237 -5.433
417 HA ASN 58 HA ASN 58 6.009 -8.904 -7.979
418 HB2 ASN 58 2HB ASN 58 5.433 -11.301 -7.947
419 HB3 ASN 58 1HB ASN 58 3.932 -10.942 -7.111
420 HD21 ASN 58 1HD2 ASN 58 5.627 -10.781 -10.156
421 HD22 ASN 58 2HD2 ASN 58 4.215 -10.462 -11.111
422 H GLY 59 H GLY 59 4.185 -8.457 -5.136
423 HA2 GLY 59 2HA GLY 59 2.703 -6.737 -4.586
424 HA3 GLY 59 1HA GLY 59 2.703 -6.237 -6.288
425 H LYS 60 H LYS 60 2.280 -9.470 -5.458
426 HA LYS 60 HA LYS 60 -0.675 -9.482 -5.899
427 HB2 LYS 60 2HB LYS 60 0.750 -10.462 -7.802
428 HB3 LYS 60 1HB LYS 60 1.412 -11.503 -6.525
429 HG2 LYS 60 2HG LYS 60 -0.790 -12.494 -6.184
430 HG3 LYS 60 1HG LYS 60 -1.438 -11.501 -7.490
431 HD2 LYS 60 2HD LYS 60 -0.201 -12.640 -9.123
432 HD3 LYS 60 1HD LYS 60 0.917 -13.308 -7.933
433 HE2 LYS 60 2HE LYS 60 -2.002 -14.051 -8.178
434 HE3 LYS 60 1HE LYS 60 -0.661 -14.998 -8.818
435 HZ1 LYS 60 3HZ LYS 60 0.186 -15.226 -6.510
436 HZ2 LYS 60 1HZ LYS 60 -1.349 -15.878 -6.607
437 HZ3 LYS 60 2HZ LYS 60 -1.063 -14.374 -5.914
438 H CYS 61 H CYS 61 -1.563 -11.055 -5.042
439 HA CYS 61 HA CYS 61 -0.701 -11.562 -2.323
440 HB2 CYS 61 2HB CYS 61 -3.125 -11.203 -3.834
441 HB3 CYS 61 1HB CYS 61 -3.298 -12.299 -2.428
442 H GLU 62 H GLU 62 -0.152 -13.615 -1.879
443 HA GLU 62 HA GLU 62 -0.908 -15.694 -3.709
444 HB2 GLU 62 2HB GLU 62 1.266 -15.781 -1.590
445 HB3 GLU 62 1HB GLU 62 0.988 -16.950 -2.865
446 HG2 GLU 62 2HG GLU 62 2.123 -14.169 -3.120
447 HG3 GLU 62 1HG GLU 62 2.926 -15.698 -3.453