Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2833 | 1cn2 RC | 4218 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1H LYS 1 -10.426 -0.445 0.700
2 2H LYS 1 2H LYS 1 -10.940 0.185 2.143
3 3H LYS 1 3H LYS 1 -10.843 1.154 0.803
4 HA LYS 1 HA LYS 1 -9.067 1.648 2.194
5 1HB LYS 1 1HB LYS 1 -9.188 -0.651 3.304
6 2HB LYS 1 2HB LYS 1 -8.198 -1.241 1.984
7 1HG LYS 1 1HG LYS 1 -6.454 0.470 2.522
8 2HG LYS 1 2HG LYS 1 -7.444 1.068 3.839
9 1HD LYS 1 1HD LYS 1 -7.322 -1.137 4.972
10 2HD LYS 1 2HD LYS 1 -6.409 -1.800 3.632
11 1HE LYS 1 1HE LYS 1 -4.585 -0.129 4.055
12 2HE LYS 1 2HE LYS 1 -5.496 0.516 5.406
13 1HZ LYS 1 1HZ LYS 1 -4.650 -2.290 5.211
14 2HZ LYS 1 2HZ LYS 1 -3.824 -1.142 6.027
15 3HZ LYS 1 3HZ LYS 1 -5.328 -1.562 6.506
16 H GLU 2 H GLU 2 -9.365 2.582 -0.151
17 HA GLU 2 HA GLU 2 -7.857 1.018 -2.070
18 1HB GLU 2 1HB GLU 2 -9.692 3.366 -2.674
19 2HB GLU 2 2HB GLU 2 -9.146 2.123 -3.781
20 1HG GLU 2 1HG GLU 2 -11.123 1.844 -1.487
21 2HG GLU 2 2HG GLU 2 -11.398 1.529 -3.189
22 H GLY 3 H GLY 3 -6.444 2.182 -3.658
23 1HA GLY 3 1HA GLY 3 -5.864 4.852 -3.672
24 2HA GLY 3 2HA GLY 3 -4.836 4.201 -2.411
25 H TYR 4 H TYR 4 -3.072 4.938 -3.960
26 HA TYR 4 HA TYR 4 -2.576 3.237 -6.206
27 1HB TYR 4 1HB TYR 4 -0.837 5.062 -4.430
28 2HB TYR 4 2HB TYR 4 -0.319 4.427 -5.979
29 HD1 TYR 4 HD1 TYR 4 -1.956 4.994 -8.013
30 HD2 TYR 4 HD2 TYR 4 -1.742 7.202 -4.355
31 HE1 TYR 4 HE1 TYR 4 -2.957 7.024 -9.171
32 HE2 TYR 4 HE2 TYR 4 -2.743 9.225 -5.526
33 HH TYR 4 HH TYR 4 -3.459 9.125 -9.000
34 H LEU 5 H LEU 5 -1.878 1.159 -6.125
35 HA LEU 5 HA LEU 5 -0.957 -0.082 -3.803
36 1HB LEU 5 1HB LEU 5 -0.597 -1.939 -5.126
37 2HB LEU 5 2HB LEU 5 -1.905 -1.095 -5.929
38 HG LEU 5 HG LEU 5 0.934 -0.661 -6.824
39 1HD1 LEU 5 1HD1 LEU 5 -0.836 -2.995 -7.601
40 2HD1 LEU 5 2HD1 LEU 5 0.644 -2.504 -8.460
41 3HD1 LEU 5 3HD1 LEU 5 0.739 -3.063 -6.772
42 1HD2 LEU 5 1HD2 LEU 5 -1.802 -0.357 -8.047
43 2HD2 LEU 5 2HD2 LEU 5 -0.509 0.852 -7.858
44 3HD2 LEU 5 3HD2 LEU 5 -0.337 -0.456 -9.053
45 H VAL 6 H VAL 6 1.425 -1.225 -3.912
46 HA VAL 6 HA VAL 6 3.192 1.102 -3.976
47 HB VAL 6 HB VAL 6 2.070 1.302 -1.883
48 1HG1 VAL 6 1HG1 VAL 6 2.704 -1.638 -1.473
49 2HG1 VAL 6 2HG1 VAL 6 2.094 -0.554 -0.200
50 3HG1 VAL 6 3HG1 VAL 6 1.097 -0.889 -1.636
51 1HG2 VAL 6 1HG2 VAL 6 4.635 1.487 -2.026
52 2HG2 VAL 6 2HG2 VAL 6 3.902 1.349 -0.410
53 3HG2 VAL 6 3HG2 VAL 6 4.666 -0.070 -1.166
54 H ASP 7 H ASP 7 5.408 0.566 -4.099
55 HA ASP 7 HA ASP 7 6.062 -2.119 -4.639
56 1HB ASP 7 1HB ASP 7 7.363 -0.273 -5.598
57 2HB ASP 7 2HB ASP 7 7.747 0.344 -4.004
58 H LYS 8 H LYS 8 6.551 -3.721 -3.089
59 HA LYS 8 HA LYS 8 5.923 -2.923 -0.419
60 1HB LYS 8 1HB LYS 8 6.070 -5.436 -1.977
61 2HB LYS 8 2HB LYS 8 6.443 -5.596 -0.272
62 1HG LYS 8 1HG LYS 8 4.008 -4.006 -1.137
63 2HG LYS 8 2HG LYS 8 3.929 -5.756 -1.088
64 1HD LYS 8 1HD LYS 8 5.023 -4.270 1.311
65 2HD LYS 8 2HD LYS 8 3.289 -4.313 1.058
66 1HE LYS 8 1HE LYS 8 3.384 -6.825 0.950
67 2HE LYS 8 2HE LYS 8 5.109 -6.763 1.246
68 1HZ LYS 8 1HZ LYS 8 4.650 -5.668 3.338
69 2HZ LYS 8 2HZ LYS 8 3.042 -5.731 3.062
70 3HZ LYS 8 3HZ LYS 8 3.890 -7.111 3.268
71 H ASN 9 H ASN 9 8.791 -3.109 -2.257
72 HA ASN 9 HA ASN 9 10.413 -3.916 -0.037
73 1HB ASN 9 1HB ASN 9 10.770 -3.441 -2.956
74 2HB ASN 9 2HB ASN 9 12.138 -2.910 -1.997
75 1HD2 ASN 9 1HD2 ASN 9 11.070 -6.900 -2.238
76 2HD2 ASN 9 2HD2 ASN 9 9.966 -5.623 -2.630
77 H THR 10 H THR 10 10.643 -1.111 -2.373
78 HA THR 10 HA THR 10 12.063 0.328 -0.275
79 HB THR 10 HB THR 10 12.384 1.835 -2.492
80 HG1 THR 10 HG1 THR 10 10.933 0.632 -3.813
81 1HG2 THR 10 1HG2 THR 10 13.618 -0.958 -2.223
82 2HG2 THR 10 2HG2 THR 10 14.275 0.384 -3.190
83 3HG2 THR 10 3HG2 THR 10 14.231 0.505 -1.415
84 H GLY 11 H GLY 11 8.891 0.103 -1.521
85 1HA GLY 11 1HA GLY 11 7.074 1.416 -1.378
86 2HA GLY 11 2HA GLY 11 7.856 2.205 -0.023
87 H CYS 12 H CYS 12 9.030 2.095 -3.453
88 HA CYS 12 HA CYS 12 8.624 4.943 -3.663
89 1HB CYS 12 1HB CYS 12 10.012 2.852 -5.231
90 2HB CYS 12 2HB CYS 12 9.303 4.154 -6.166
91 H LYS 13 H LYS 13 7.212 5.845 -5.404
92 HA LYS 13 HA LYS 13 4.667 4.712 -5.288
93 1HB LYS 13 1HB LYS 13 4.077 6.476 -6.924
94 2HB LYS 13 2HB LYS 13 4.969 7.083 -5.544
95 1HG LYS 13 1HG LYS 13 6.772 7.701 -6.818
96 2HG LYS 13 2HG LYS 13 6.726 6.233 -7.774
97 1HD LYS 13 1HD LYS 13 4.672 8.454 -8.136
98 2HD LYS 13 2HD LYS 13 6.198 8.457 -8.997
99 1HE LYS 13 1HE LYS 13 5.575 6.037 -9.752
100 2HE LYS 13 2HE LYS 13 3.959 6.403 -9.180
101 1HZ LYS 13 1HZ LYS 13 4.075 8.403 -10.629
102 2HZ LYS 13 2HZ LYS 13 5.450 7.807 -11.278
103 3HZ LYS 13 3HZ LYS 13 4.050 6.980 -11.430
104 H TYR 14 H TYR 14 3.413 3.547 -6.788
105 HA TYR 14 HA TYR 14 5.040 1.920 -8.555
106 1HB TYR 14 1HB TYR 14 3.191 1.210 -6.814
107 2HB TYR 14 2HB TYR 14 2.027 1.888 -7.935
108 HD1 TYR 14 HD1 TYR 14 1.750 0.860 -10.216
109 HD2 TYR 14 HD2 TYR 14 4.155 -0.952 -7.177
110 HE1 TYR 14 HE1 TYR 14 1.677 -1.351 -11.467
111 HE2 TYR 14 HE2 TYR 14 4.073 -3.158 -8.438
112 HH TYR 14 HH TYR 14 2.787 -3.348 -11.654
113 H GLU 15 H GLU 15 5.247 2.357 -10.705
114 HA GLU 15 HA GLU 15 3.591 4.552 -11.611
115 1HB GLU 15 1HB GLU 15 6.099 4.761 -11.618
116 2HB GLU 15 2HB GLU 15 6.185 3.453 -12.782
117 1HG GLU 15 1HG GLU 15 5.331 4.746 -14.522
118 2HG GLU 15 2HG GLU 15 4.348 5.733 -13.459
119 H CYS 16 H CYS 16 2.031 4.282 -13.158
120 HA CYS 16 HA CYS 16 2.013 1.723 -14.555
121 1HB CYS 16 1HB CYS 16 -0.223 1.798 -14.556
122 2HB CYS 16 2HB CYS 16 0.013 2.901 -13.216
123 H LEU 17 H LEU 17 0.971 2.069 -16.938
124 HA LEU 17 HA LEU 17 3.011 3.635 -18.224
125 1HB LEU 17 1HB LEU 17 0.853 1.994 -19.536
126 2HB LEU 17 2HB LEU 17 2.402 2.479 -20.198
127 HG LEU 17 HG LEU 17 1.915 0.455 -18.000
128 1HD1 LEU 17 1HD1 LEU 17 1.418 -0.311 -20.288
129 2HD1 LEU 17 2HD1 LEU 17 3.075 0.118 -20.780
130 3HD1 LEU 17 3HD1 LEU 17 2.808 -1.162 -19.572
131 1HD2 LEU 17 1HD2 LEU 17 4.513 1.600 -19.043
132 2HD2 LEU 17 2HD2 LEU 17 3.904 1.591 -17.370
133 3HD2 LEU 17 3HD2 LEU 17 4.402 0.067 -18.146
134 H LYS 18 H LYS 18 1.146 3.978 -20.644
135 HA LYS 18 HA LYS 18 0.819 6.678 -20.321
136 1HB LYS 18 1HB LYS 18 0.884 5.368 -22.464
137 2HB LYS 18 2HB LYS 18 -0.779 4.894 -22.180
138 1HG LYS 18 1HG LYS 18 -1.060 7.574 -21.838
139 2HG LYS 18 2HG LYS 18 0.334 7.593 -22.899
140 1HD LYS 18 1HD LYS 18 -1.439 7.623 -24.442
141 2HD LYS 18 2HD LYS 18 -1.051 5.916 -24.382
142 1HE LYS 18 1HE LYS 18 -2.856 6.035 -22.329
143 2HE LYS 18 2HE LYS 18 -3.452 7.356 -23.313
144 1HZ LYS 18 1HZ LYS 18 -3.496 5.835 -25.191
145 2HZ LYS 18 2HZ LYS 18 -2.995 4.606 -24.240
146 3HZ LYS 18 3HZ LYS 18 -4.446 5.304 -23.974
147 H LEU 19 H LEU 19 -0.649 8.000 -19.353
148 HA LEU 19 HA LEU 19 -2.402 6.854 -17.501
149 1HB LEU 19 1HB LEU 19 -2.994 9.078 -16.943
150 2HB LEU 19 2HB LEU 19 -1.274 9.035 -17.282
151 HG LEU 19 HG LEU 19 -2.312 9.736 -19.734
152 1HD1 LEU 19 1HD1 LEU 19 -4.570 9.956 -18.811
153 2HD1 LEU 19 2HD1 LEU 19 -3.973 11.143 -17.627
154 3HD1 LEU 19 3HD1 LEU 19 -3.932 11.522 -19.365
155 1HD2 LEU 19 1HD2 LEU 19 -0.353 10.711 -18.651
156 2HD2 LEU 19 2HD2 LEU 19 -1.456 11.977 -19.242
157 3HD2 LEU 19 3HD2 LEU 19 -1.402 11.581 -17.507
158 H GLY 20 H GLY 20 -4.733 6.878 -17.403
159 1HA GLY 20 1HA GLY 20 -6.836 7.171 -18.415
160 2HA GLY 20 2HA GLY 20 -6.081 7.212 -19.996
161 H ASP 21 H ASP 21 -4.363 4.938 -19.867
162 HA ASP 21 HA ASP 21 -6.350 3.153 -20.714
163 1HB ASP 21 1HB ASP 21 -3.334 2.832 -20.362
164 2HB ASP 21 2HB ASP 21 -4.346 1.629 -21.135
165 H ASN 22 H ASN 22 -7.578 2.180 -19.042
166 HA ASN 22 HA ASN 22 -6.230 1.571 -16.588
167 1HB ASN 22 1HB ASN 22 -8.587 0.952 -15.834
168 2HB ASN 22 2HB ASN 22 -8.432 2.602 -16.400
169 1HD2 ASN 22 1HD2 ASN 22 -10.823 -0.131 -18.256
170 2HD2 ASN 22 2HD2 ASN 22 -9.659 -0.586 -17.057
171 H ASP 23 H ASP 23 -5.311 -0.024 -18.773
172 HA ASP 23 HA ASP 23 -6.769 -2.518 -18.471
173 1HB ASP 23 1HB ASP 23 -6.415 -1.708 -20.788
174 2HB ASP 23 2HB ASP 23 -4.686 -1.615 -20.514
175 H TYR 24 H TYR 24 -3.475 -0.997 -18.481
176 HA TYR 24 HA TYR 24 -2.136 -3.370 -17.670
177 1HB TYR 24 1HB TYR 24 -1.376 -0.403 -17.358
178 2HB TYR 24 2HB TYR 24 -0.254 -1.743 -17.492
179 HD1 TYR 24 HD1 TYR 24 -0.660 -3.213 -19.752
180 HD2 TYR 24 HD2 TYR 24 -1.642 0.919 -19.239
181 HE1 TYR 24 HE1 TYR 24 -0.562 -2.870 -22.270
182 HE2 TYR 24 HE2 TYR 24 -1.540 1.249 -21.758
183 HH TYR 24 HH TYR 24 -1.359 0.281 -23.691
184 H CYS 25 H CYS 25 -3.419 -0.444 -15.992
185 HA CYS 25 HA CYS 25 -2.437 -0.967 -13.480
186 1HB CYS 25 1HB CYS 25 -3.594 1.093 -14.126
187 2HB CYS 25 2HB CYS 25 -5.111 0.223 -14.245
188 H LEU 26 H LEU 26 -5.571 -2.006 -15.019
189 HA LEU 26 HA LEU 26 -6.509 -3.544 -12.943
190 1HB LEU 26 1HB LEU 26 -7.284 -2.904 -15.503
191 2HB LEU 26 2HB LEU 26 -7.015 -4.632 -15.616
192 HG LEU 26 HG LEU 26 -8.784 -3.342 -13.522
193 1HD1 LEU 26 1HD1 LEU 26 -9.565 -4.579 -16.177
194 2HD1 LEU 26 2HD1 LEU 26 -10.691 -4.081 -14.891
195 3HD1 LEU 26 3HD1 LEU 26 -9.695 -2.863 -15.722
196 1HD2 LEU 26 1HD2 LEU 26 -8.468 -6.225 -14.401
197 2HD2 LEU 26 2HD2 LEU 26 -7.942 -5.518 -12.854
198 3HD2 LEU 26 3HD2 LEU 26 -9.676 -5.622 -13.242
199 H ARG 27 H ARG 27 -4.485 -4.607 -15.770
200 HA ARG 27 HA ARG 27 -4.470 -7.237 -15.100
201 1HB ARG 27 1HB ARG 27 -2.730 -5.423 -16.729
202 2HB ARG 27 2HB ARG 27 -1.992 -6.946 -16.274
203 1HG ARG 27 1HG ARG 27 -4.313 -7.977 -17.093
204 2HG ARG 27 2HG ARG 27 -4.451 -6.466 -17.971
205 1HD ARG 27 1HD ARG 27 -1.864 -7.143 -18.600
206 2HD ARG 27 2HD ARG 27 -2.553 -8.740 -18.395
207 HE ARG 27 HE ARG 27 -3.811 -8.428 -20.344
208 1HH1 ARG 27 2HH1 ARG 27 -2.542 -5.329 -19.266
209 2HH1 ARG 27 1HH1 ARG 27 -3.062 -4.480 -20.684
210 1HH2 ARG 27 1HH2 ARG 27 -4.604 -7.280 -22.159
211 2HH2 ARG 27 2HH2 ARG 27 -4.397 -5.563 -22.250
212 H GLU 28 H GLU 28 -2.232 -4.584 -14.076
213 HA GLU 28 HA GLU 28 -0.307 -6.297 -13.036
214 1HB GLU 28 1HB GLU 28 -0.926 -3.351 -12.728
215 2HB GLU 28 2HB GLU 28 0.328 -4.077 -11.742
216 1HG GLU 28 1HG GLU 28 1.496 -4.888 -13.779
217 2HG GLU 28 2HG GLU 28 0.219 -4.243 -14.791
218 H CYS 29 H CYS 29 -3.048 -4.495 -11.511
219 HA CYS 29 HA CYS 29 -2.374 -5.263 -8.895
220 1HB CYS 29 1HB CYS 29 -4.549 -3.828 -10.238
221 2HB CYS 29 2HB CYS 29 -5.082 -4.746 -8.843
222 H LYS 30 H LYS 30 -4.090 -6.752 -11.608
223 HA LYS 30 HA LYS 30 -5.588 -8.622 -10.145
224 1HB LYS 30 1HB LYS 30 -5.527 -7.832 -12.723
225 2HB LYS 30 2HB LYS 30 -4.606 -9.316 -12.869
226 1HG LYS 30 1HG LYS 30 -6.686 -10.277 -13.041
227 2HG LYS 30 2HG LYS 30 -6.629 -10.230 -11.290
228 1HD LYS 30 1HD LYS 30 -7.751 -7.952 -11.372
229 2HD LYS 30 2HD LYS 30 -7.907 -8.134 -13.108
230 1HE LYS 30 1HE LYS 30 -9.270 -10.192 -12.794
231 2HE LYS 30 2HE LYS 30 -9.070 -10.079 -11.056
232 1HZ LYS 30 1HZ LYS 30 -10.160 -7.908 -11.172
233 2HZ LYS 30 2HZ LYS 30 -10.427 -8.118 -12.770
234 3HZ LYS 30 3HZ LYS 30 -11.130 -9.117 -11.687
235 H GLN 31 H GLN 31 -2.283 -8.723 -11.618
236 HA GLN 31 HA GLN 31 -2.010 -11.361 -10.419
237 1HB GLN 31 1HB GLN 31 -0.478 -10.062 -12.714
238 2HB GLN 31 2HB GLN 31 -0.136 -11.657 -12.074
239 1HG GLN 31 1HG GLN 31 -2.446 -12.400 -12.649
240 2HG GLN 31 2HG GLN 31 -2.822 -10.798 -13.251
241 1HE2 GLN 31 1HE2 GLN 31 -0.330 -13.361 -15.339
242 2HE2 GLN 31 2HE2 GLN 31 -0.619 -13.539 -13.641
243 H GLN 32 H GLN 32 -1.753 -9.023 -8.723
244 HA GLN 32 HA GLN 32 0.534 -10.259 -7.588
245 1HB GLN 32 1HB GLN 32 1.829 -8.282 -7.086
246 2HB GLN 32 2HB GLN 32 1.539 -8.295 -8.814
247 1HG GLN 32 1HG GLN 32 -0.500 -6.784 -8.363
248 2HG GLN 32 2HG GLN 32 0.080 -6.628 -6.718
249 1HE2 GLN 32 1HE2 GLN 32 1.977 -4.802 -9.891
250 2HE2 GLN 32 2HE2 GLN 32 0.819 -6.072 -10.105
251 H TYR 33 H TYR 33 -2.061 -7.773 -7.424
252 HA TYR 33 HA TYR 33 -2.285 -8.299 -4.545
253 1HB TYR 33 1HB TYR 33 -2.432 -6.013 -6.342
254 2HB TYR 33 2HB TYR 33 -4.040 -6.245 -5.687
255 HD1 TYR 33 HD1 TYR 33 -3.359 -7.229 -2.930
256 HD2 TYR 33 HD2 TYR 33 -1.695 -4.055 -5.267
257 HE1 TYR 33 HE1 TYR 33 -2.663 -6.020 -0.806
258 HE2 TYR 33 HE2 TYR 33 -1.006 -2.857 -3.134
259 HH TYR 33 HH TYR 33 -1.239 -2.791 -0.953
260 H GLY 34 H GLY 34 -3.322 -9.977 -7.037
261 1HA GLY 34 1HA GLY 34 -4.553 -11.778 -6.054
262 2HA GLY 34 2HA GLY 34 -5.640 -10.615 -5.320
263 H LYS 35 H LYS 35 -6.035 -12.942 -7.305
264 HA LYS 35 HA LYS 35 -6.854 -11.654 -9.725
265 1HB LYS 35 1HB LYS 35 -7.241 -14.476 -8.686
266 2HB LYS 35 2HB LYS 35 -7.710 -13.933 -10.284
267 1HG LYS 35 1HG LYS 35 -5.274 -13.162 -10.613
268 2HG LYS 35 2HG LYS 35 -4.891 -13.998 -9.121
269 1HD LYS 35 1HD LYS 35 -6.233 -15.345 -11.511
270 2HD LYS 35 2HD LYS 35 -4.503 -15.361 -11.237
271 1HE LYS 35 1HE LYS 35 -4.967 -16.389 -8.935
272 2HE LYS 35 2HE LYS 35 -6.648 -16.536 -9.409
273 1HZ LYS 35 1HZ LYS 35 -5.909 -17.852 -11.303
274 2HZ LYS 35 2HZ LYS 35 -4.361 -17.757 -10.794
275 3HZ LYS 35 3HZ LYS 35 -5.472 -18.539 -9.888
276 H GLY 36 H GLY 36 -8.109 -10.044 -8.122
277 1HA GLY 36 1HA GLY 36 -10.751 -10.453 -9.075
278 2HA GLY 36 2HA GLY 36 -10.697 -10.640 -7.333
279 H ALA 37 H ALA 37 -8.580 -8.475 -9.312
280 HA ALA 37 HA ALA 37 -9.390 -6.387 -7.416
281 1HB ALA 37 1HB ALA 37 -7.050 -7.250 -7.289
282 2HB ALA 37 2HB ALA 37 -6.795 -6.731 -8.972
283 3HB ALA 37 3HB ALA 37 -7.125 -5.523 -7.707
284 H GLY 38 H GLY 38 -8.907 -4.071 -8.384
285 1HA GLY 38 1HA GLY 38 -9.137 -3.878 -11.258
286 2HA GLY 38 2HA GLY 38 -10.578 -3.386 -10.391
287 H GLY 39 H GLY 39 -9.401 -1.418 -11.843
288 1HA GLY 39 1HA GLY 39 -8.565 0.605 -10.159
289 2HA GLY 39 2HA GLY 39 -7.107 -0.241 -10.639
290 H TYR 40 H TYR 40 -7.020 2.231 -11.521
291 HA TYR 40 HA TYR 40 -7.116 1.765 -14.361
292 1HB TYR 40 1HB TYR 40 -8.193 4.213 -14.461
293 2HB TYR 40 2HB TYR 40 -9.255 2.841 -14.215
294 HD1 TYR 40 HD1 TYR 40 -7.403 5.517 -12.389
295 HD2 TYR 40 HD2 TYR 40 -10.618 2.697 -12.291
296 HE1 TYR 40 HE1 TYR 40 -8.258 6.557 -10.233
297 HE2 TYR 40 HE2 TYR 40 -11.463 3.746 -10.135
298 HH TYR 40 HH TYR 40 -11.035 5.157 -8.535
299 H CYS 41 H CYS 41 -6.148 3.868 -15.502
300 HA CYS 41 HA CYS 41 -3.698 4.251 -13.976
301 1HB CYS 41 1HB CYS 41 -4.361 3.895 -16.823
302 2HB CYS 41 2HB CYS 41 -3.157 5.129 -16.512
303 H TYR 42 H TYR 42 -3.877 6.164 -12.757
304 HA TYR 42 HA TYR 42 -4.767 8.579 -14.046
305 1HB TYR 42 1HB TYR 42 -3.720 7.535 -11.445
306 2HB TYR 42 2HB TYR 42 -3.102 9.132 -11.815
307 HD1 TYR 42 HD1 TYR 42 -5.184 10.680 -12.905
308 HD2 TYR 42 HD2 TYR 42 -5.507 7.576 -9.979
309 HE1 TYR 42 HE1 TYR 42 -7.341 11.711 -12.039
310 HE2 TYR 42 HE2 TYR 42 -7.663 8.617 -9.124
311 HH TYR 42 HH TYR 42 -9.105 10.201 -9.345
312 H ALA 43 H ALA 43 -2.859 10.459 -13.439
313 HA ALA 43 HA ALA 43 -1.049 10.301 -15.503
314 1HB ALA 43 1HB ALA 43 -0.908 11.827 -12.871
315 2HB ALA 43 2HB ALA 43 0.094 12.166 -14.303
316 3HB ALA 43 3HB ALA 43 -1.671 12.381 -14.380
317 H PHE 44 H PHE 44 -0.074 8.202 -15.558
318 HA PHE 44 HA PHE 44 1.502 6.717 -15.128
319 1HB PHE 44 1HB PHE 44 2.894 9.057 -13.704
320 2HB PHE 44 2HB PHE 44 3.684 7.724 -14.521
321 HD1 PHE 44 HD1 PHE 44 3.023 7.503 -17.100
322 HD2 PHE 44 HD2 PHE 44 2.760 11.070 -14.818
323 HE1 PHE 44 HE1 PHE 44 3.131 8.859 -19.209
324 HE2 PHE 44 HE2 PHE 44 2.869 12.428 -16.926
325 HZ PHE 44 HZ PHE 44 3.053 11.305 -19.098
326 H ALA 45 H ALA 45 -0.551 6.613 -13.223
327 HA ALA 45 HA ALA 45 0.904 5.316 -11.126
328 1HB ALA 45 1HB ALA 45 0.878 7.630 -10.278
329 2HB ALA 45 2HB ALA 45 -0.889 7.692 -10.481
330 3HB ALA 45 3HB ALA 45 -0.168 6.582 -9.291
331 H CYS 46 H CYS 46 -0.260 3.555 -10.398
332 HA CYS 46 HA CYS 46 -2.799 3.198 -11.762
333 1HB CYS 46 1HB CYS 46 -1.324 1.432 -12.204
334 2HB CYS 46 2HB CYS 46 -0.797 1.318 -10.537
335 H TRP 47 H TRP 47 -4.399 4.190 -10.495
336 HA TRP 47 HA TRP 47 -4.458 3.695 -7.652
337 1HB TRP 47 1HB TRP 47 -5.181 5.842 -8.466
338 2HB TRP 47 2HB TRP 47 -6.351 5.101 -9.540
339 HD1 TRP 47 HD1 TRP 47 -8.397 3.643 -8.118
340 HE1 TRP 47 HE1 TRP 47 -9.720 4.284 -5.927
341 HE3 TRP 47 HE3 TRP 47 -5.003 7.032 -6.431
342 HZ2 TRP 47 HZ2 TRP 47 -9.211 6.096 -3.783
343 HZ3 TRP 47 HZ3 TRP 47 -5.493 8.193 -4.279
344 HH2 TRP 47 HH2 TRP 47 -7.512 7.772 -2.968
345 H CYS 48 H CYS 48 -5.214 1.793 -6.829
346 HA CYS 48 HA CYS 48 -6.999 0.247 -8.559
347 1HB CYS 48 1HB CYS 48 -4.971 -0.619 -6.501
348 2HB CYS 48 2HB CYS 48 -6.222 -1.693 -7.093
349 H THR 49 H THR 49 -8.802 -0.957 -7.340
350 HA THR 49 HA THR 49 -9.789 0.590 -5.121
351 HB THR 49 HB THR 49 -9.830 2.293 -6.915
352 HG1 THR 49 HG1 THR 49 -12.088 2.646 -6.617
353 1HG2 THR 49 1HG2 THR 49 -10.328 0.136 -8.653
354 2HG2 THR 49 2HG2 THR 49 -11.908 0.944 -8.524
355 3HG2 THR 49 3HG2 THR 49 -10.483 1.859 -9.072
356 H HIS 50 H HIS 50 -9.811 -1.847 -4.643
357 HA HIS 50 HA HIS 50 -12.329 -2.950 -5.020
358 1HB HIS 50 1HB HIS 50 -10.726 -3.141 -7.348
359 2HB HIS 50 2HB HIS 50 -10.740 -4.740 -6.631
360 HD1 HIS 50 HD1 HIS 50 -13.451 -2.065 -7.197
361 HD2 HIS 50 HD2 HIS 50 -12.787 -6.177 -7.693
362 HE1 HIS 50 HE1 HIS 50 -15.594 -3.019 -8.199
363 H LEU 51 H LEU 51 -10.553 -2.584 -2.812
364 HA LEU 51 HA LEU 51 -8.904 -5.018 -2.798
365 1HB LEU 51 1HB LEU 51 -8.153 -2.202 -2.001
366 2HB LEU 51 2HB LEU 51 -7.156 -3.618 -1.733
367 HG LEU 51 HG LEU 51 -8.074 -2.899 -4.510
368 1HD1 LEU 51 1HD1 LEU 51 -5.754 -1.696 -2.989
369 2HD1 LEU 51 2HD1 LEU 51 -5.870 -1.699 -4.766
370 3HD1 LEU 51 3HD1 LEU 51 -7.101 -0.856 -3.794
371 1HD2 LEU 51 1HD2 LEU 51 -5.662 -4.396 -3.446
372 2HD2 LEU 51 2HD2 LEU 51 -7.107 -5.108 -4.204
373 3HD2 LEU 51 3HD2 LEU 51 -6.016 -4.077 -5.162
374 H TYR 52 H TYR 52 -7.990 -5.416 -0.470
375 HA TYR 52 HA TYR 52 -10.304 -5.155 1.322
376 1HB TYR 52 1HB TYR 52 -8.610 -7.156 2.287
377 2HB TYR 52 2HB TYR 52 -9.954 -7.467 1.206
378 HD1 TYR 52 HD1 TYR 52 -6.302 -7.155 1.463
379 HD2 TYR 52 HD2 TYR 52 -9.584 -7.921 -1.172
380 HE1 TYR 52 HE1 TYR 52 -4.696 -8.067 -0.285
381 HE2 TYR 52 HE2 TYR 52 -7.967 -8.830 -2.911
382 HH TYR 52 HH TYR 52 -5.757 -8.776 -3.512
383 H GLU 53 H GLU 53 -9.385 -5.640 3.761
384 HA GLU 53 HA GLU 53 -8.174 -3.261 4.435
385 1HB GLU 53 1HB GLU 53 -9.612 -4.615 5.949
386 2HB GLU 53 2HB GLU 53 -8.363 -5.839 6.055
387 1HG GLU 53 1HG GLU 53 -6.822 -4.277 7.137
388 2HG GLU 53 2HG GLU 53 -7.902 -2.928 6.848
389 H GLN 54 H GLN 54 -6.828 -6.427 3.583
390 HA GLN 54 HA GLN 54 -4.228 -5.629 4.545
391 1HB GLN 54 1HB GLN 54 -5.377 -8.198 3.413
392 2HB GLN 54 2HB GLN 54 -3.643 -7.985 3.552
393 1HG GLN 54 1HG GLN 54 -3.856 -7.554 5.983
394 2HG GLN 54 2HG GLN 54 -5.602 -7.646 5.873
395 1HE2 GLN 54 1HE2 GLN 54 -4.902 -10.923 7.096
396 2HE2 GLN 54 2HE2 GLN 54 -5.155 -9.276 7.571
397 H ALA 55 H ALA 55 -5.682 -4.263 2.187
398 HA ALA 55 HA ALA 55 -3.273 -4.417 0.519
399 1HB ALA 55 1HB ALA 55 -5.429 -4.448 -0.676
400 2HB ALA 55 2HB ALA 55 -5.901 -2.928 0.123
401 3HB ALA 55 3HB ALA 55 -4.534 -2.948 -1.018
402 H ILE 56 H ILE 56 -1.613 -3.099 1.110
403 HA ILE 56 HA ILE 56 -2.251 -0.626 2.499
404 HB ILE 56 HB ILE 56 0.373 -1.926 1.760
405 1HG1 ILE 56 1HG1 ILE 56 -0.690 -1.566 4.550
406 2HG1 ILE 56 2HG1 ILE 56 -1.232 -2.919 3.578
407 1HG2 ILE 56 1HG2 ILE 56 -0.224 0.635 3.254
408 2HG2 ILE 56 2HG2 ILE 56 1.333 -0.222 3.346
409 3HG2 ILE 56 3HG2 ILE 56 0.760 0.418 1.787
410 1HD1 ILE 56 1HD1 ILE 56 1.151 -3.589 3.192
411 2HD1 ILE 56 2HD1 ILE 56 1.673 -2.240 4.230
412 3HD1 ILE 56 3HD1 ILE 56 0.723 -3.579 4.920
413 H VAL 57 H VAL 57 -1.692 1.464 1.648
414 HA VAL 57 HA VAL 57 -1.234 1.438 -1.256
415 HB VAL 57 HB VAL 57 -3.261 2.354 -1.354
416 1HG1 VAL 57 1HG1 VAL 57 -3.029 3.098 1.582
417 2HG1 VAL 57 2HG1 VAL 57 -4.483 3.316 0.579
418 3HG1 VAL 57 3HG1 VAL 57 -3.864 1.679 0.904
419 1HG2 VAL 57 1HG2 VAL 57 -1.840 4.289 -1.820
420 2HG2 VAL 57 2HG2 VAL 57 -3.349 4.797 -1.025
421 3HG2 VAL 57 3HG2 VAL 57 -1.834 4.722 -0.094
422 H TRP 58 H TRP 58 0.119 3.175 -2.087
423 HA TRP 58 HA TRP 58 2.438 3.268 -0.578
424 1HB TRP 58 1HB TRP 58 2.489 3.365 -2.967
425 2HB TRP 58 2HB TRP 58 1.554 4.846 -2.994
426 HD1 TRP 58 HD1 TRP 58 5.133 3.610 -2.519
427 HE1 TRP 58 HE1 TRP 58 6.854 5.607 -2.414
428 HE3 TRP 58 HE3 TRP 58 1.641 7.293 -2.218
429 HZ2 TRP 58 HZ2 TRP 58 6.569 8.440 -2.221
430 HZ3 TRP 58 HZ3 TRP 58 2.447 9.648 -2.073
431 HH2 TRP 58 HH2 TRP 58 4.816 10.247 -2.072
432 HA PRO 59 HA PRO 59 4.002 4.243 -0.235
433 1HB PRO 59 1HB PRO 59 5.624 5.190 1.750
434 2HB PRO 59 2HB PRO 59 5.624 5.838 0.121
435 1HG PRO 59 1HG PRO 59 4.471 7.004 2.581
436 2HG PRO 59 2HG PRO 59 4.856 7.797 1.066
437 1HD PRO 59 1HD PRO 59 2.250 7.034 1.989
438 2HD PRO 59 2HD PRO 59 2.649 7.721 0.428
439 H LEU 60 H LEU 60 5.454 2.824 1.470
440 HA LEU 60 HA LEU 60 3.793 1.816 3.532
441 1HB LEU 60 1HB LEU 60 6.783 1.815 3.117
442 2HB LEU 60 2HB LEU 60 5.985 1.002 4.448
443 HG LEU 60 HG LEU 60 6.062 -0.780 3.086
444 1HD1 LEU 60 1HD1 LEU 60 3.662 -0.287 3.233
445 2HD1 LEU 60 2HD1 LEU 60 3.761 0.641 1.717
446 3HD1 LEU 60 3HD1 LEU 60 4.078 -1.111 1.710
447 1HD2 LEU 60 1HD2 LEU 60 7.501 0.456 1.473
448 2HD2 LEU 60 2HD2 LEU 60 6.443 -0.758 0.715
449 3HD2 LEU 60 3HD2 LEU 60 6.029 0.970 0.614
450 HA PRO 61 HA PRO 61 4.444 4.924 6.552
451 1HB PRO 61 1HB PRO 61 4.178 3.484 8.861
452 2HB PRO 61 2HB PRO 61 2.812 4.090 7.947
453 1HG PRO 61 1HG PRO 61 3.845 1.326 8.125
454 2HG PRO 61 2HG PRO 61 2.272 1.877 7.582
455 1HD PRO 61 1HD PRO 61 4.445 0.996 5.931
456 2HD PRO 61 2HD PRO 61 2.916 1.657 5.386
457 H ASN 62 H ASN 62 6.261 1.927 7.053
458 HA ASN 62 HA ASN 62 7.868 3.489 8.889
459 1HB ASN 62 1HB ASN 62 8.569 1.242 9.780
460 2HB ASN 62 2HB ASN 62 6.831 1.454 9.826
461 1HD2 ASN 62 1HD2 ASN 62 8.165 -1.826 8.230
462 2HD2 ASN 62 2HD2 ASN 62 8.781 -0.879 9.543
463 H LYS 63 H LYS 63 7.908 2.720 5.688
464 HA LYS 63 HA LYS 63 10.661 3.256 5.475
465 1HB LYS 63 1HB LYS 63 11.281 1.120 4.280
466 2HB LYS 63 2HB LYS 63 11.118 1.004 6.020
467 1HG LYS 63 1HG LYS 63 8.839 0.065 5.782
468 2HG LYS 63 2HG LYS 63 8.905 0.274 4.044
469 1HD LYS 63 1HD LYS 63 11.056 -1.224 4.151
470 2HD LYS 63 2HD LYS 63 10.514 -1.650 5.762
471 1HE LYS 63 1HE LYS 63 9.540 -3.336 4.418
472 2HE LYS 63 2HE LYS 63 8.218 -2.207 4.643
473 1HZ LYS 63 1HZ LYS 63 10.017 -2.165 2.322
474 2HZ LYS 63 2HZ LYS 63 8.555 -2.890 2.335
475 3HZ LYS 63 3HZ LYS 63 8.665 -1.272 2.521
476 H ARG 64 H ARG 64 8.886 4.868 4.512
477 HA ARG 64 HA ARG 64 8.169 4.314 1.878
478 1HB ARG 64 1HB ARG 64 8.081 6.819 1.650
479 2HB ARG 64 2HB ARG 64 7.243 6.247 3.080
480 1HG ARG 64 1HG ARG 64 8.820 7.132 4.541
481 2HG ARG 64 2HG ARG 64 10.152 6.895 3.427
482 1HD ARG 64 1HD ARG 64 7.990 9.043 3.156
483 2HD ARG 64 2HD ARG 64 9.621 9.318 3.737
484 HE ARG 64 HE ARG 64 10.441 8.613 1.473
485 1HH1 ARG 64 2HH1 ARG 64 6.950 8.779 1.523
486 2HH1 ARG 64 1HH1 ARG 64 6.838 9.880 0.190
487 1HH2 ARG 64 1HH2 ARG 64 10.277 9.608 -0.604
488 2HH2 ARG 64 2HH2 ARG 64 8.724 10.095 -1.198
489 H CYS 65 H CYS 65 9.228 5.537 -0.068
490 HA CYS 65 HA CYS 65 11.932 4.834 -0.253
491 1HB CYS 65 1HB CYS 65 9.868 5.827 -1.978
492 2HB CYS 65 2HB CYS 65 11.315 6.787 -2.219
493 H SER 66 H SER 66 13.454 5.848 1.035
494 HA SER 66 HA SER 66 13.065 8.500 1.905
495 1HB SER 66 1HB SER 66 15.467 8.185 2.776
496 2HB SER 66 2HB SER 66 14.256 7.078 3.392
497 HG SER 66 HG SER 66 16.261 6.018 2.715
498 1HN NH2 67 1H SER 66 12.900 9.740 0.016
499 2HN NH2 67 2H SER 66 14.255 10.111 -0.998
No H/Q in entry = 499
Start of MODEL 2
1 1H LYS 1 1H LYS 1 -10.922 2.284 0.694
2 2H LYS 1 2H LYS 1 -11.096 1.776 2.260
3 3H LYS 1 3H LYS 1 -9.831 2.760 1.845
4 HA LYS 1 HA LYS 1 -8.715 0.900 1.859
5 1HB LYS 1 1HB LYS 1 -9.738 -1.314 1.401
6 2HB LYS 1 2HB LYS 1 -10.489 -0.458 2.732
7 1HG LYS 1 1HG LYS 1 -12.499 -0.590 1.698
8 2HG LYS 1 2HG LYS 1 -11.875 0.348 0.355
9 1HD LYS 1 1HD LYS 1 -10.846 -1.873 -0.516
10 2HD LYS 1 2HD LYS 1 -11.846 -2.681 0.675
11 1HE LYS 1 1HE LYS 1 -13.872 -1.502 -0.334
12 2HE LYS 1 2HE LYS 1 -12.825 -0.888 -1.596
13 1HZ LYS 1 1HZ LYS 1 -12.240 -3.226 -2.063
14 2HZ LYS 1 2HZ LYS 1 -13.391 -3.706 -1.008
15 3HZ LYS 1 3HZ LYS 1 -13.807 -2.873 -2.349
16 H GLU 2 H GLU 2 -9.110 2.916 -0.215
17 HA GLU 2 HA GLU 2 -8.241 1.267 -2.443
18 1HB GLU 2 1HB GLU 2 -10.121 3.656 -2.701
19 2HB GLU 2 2HB GLU 2 -9.480 2.711 -4.030
20 1HG GLU 2 1HG GLU 2 -11.498 1.608 -3.777
21 2HG GLU 2 2HG GLU 2 -10.550 0.670 -2.638
22 H GLY 3 H GLY 3 -6.380 2.030 -3.451
23 1HA GLY 3 1HA GLY 3 -5.446 4.725 -2.999
24 2HA GLY 3 2HA GLY 3 -4.636 3.519 -2.019
25 H TYR 4 H TYR 4 -3.047 4.863 -3.791
26 HA TYR 4 HA TYR 4 -2.679 3.382 -6.185
27 1HB TYR 4 1HB TYR 4 -0.890 5.081 -4.340
28 2HB TYR 4 2HB TYR 4 -0.375 4.546 -5.926
29 HD1 TYR 4 HD1 TYR 4 -2.039 5.198 -7.911
30 HD2 TYR 4 HD2 TYR 4 -1.839 7.195 -4.134
31 HE1 TYR 4 HE1 TYR 4 -3.088 7.271 -8.943
32 HE2 TYR 4 HE2 TYR 4 -2.888 9.262 -5.179
33 HH TYR 4 HH TYR 4 -3.692 9.320 -8.641
34 H LEU 5 H LEU 5 -1.114 1.758 -6.663
35 HA LEU 5 HA LEU 5 -0.689 -0.002 -4.422
36 1HB LEU 5 1HB LEU 5 -1.150 -0.272 -7.182
37 2HB LEU 5 2HB LEU 5 0.472 -0.877 -6.914
38 HG LEU 5 HG LEU 5 -0.408 -2.405 -5.161
39 1HD1 LEU 5 1HD1 LEU 5 -2.917 -0.939 -5.756
40 2HD1 LEU 5 2HD1 LEU 5 -3.057 -2.698 -5.518
41 3HD1 LEU 5 3HD1 LEU 5 -2.341 -1.681 -4.244
42 1HD2 LEU 5 1HD2 LEU 5 -0.068 -3.176 -7.462
43 2HD2 LEU 5 2HD2 LEU 5 -1.448 -3.996 -6.691
44 3HD2 LEU 5 3HD2 LEU 5 -1.732 -2.696 -7.872
45 H VAL 6 H VAL 6 1.804 -1.252 -4.999
46 HA VAL 6 HA VAL 6 3.562 0.831 -4.091
47 HB VAL 6 HB VAL 6 1.933 0.880 -2.316
48 1HG1 VAL 6 1HG1 VAL 6 0.926 -1.331 -2.639
49 2HG1 VAL 6 2HG1 VAL 6 2.408 -2.106 -2.029
50 3HG1 VAL 6 3HG1 VAL 6 1.420 -1.098 -0.946
51 1HG2 VAL 6 1HG2 VAL 6 4.361 1.076 -1.768
52 2HG2 VAL 6 2HG2 VAL 6 3.370 0.469 -0.419
53 3HG2 VAL 6 3HG2 VAL 6 4.372 -0.658 -1.366
54 H ASP 7 H ASP 7 5.672 0.027 -3.681
55 HA ASP 7 HA ASP 7 5.993 -2.759 -4.385
56 1HB ASP 7 1HB ASP 7 7.425 -1.080 -5.519
57 2HB ASP 7 2HB ASP 7 8.008 -0.501 -3.972
58 H LYS 8 H LYS 8 7.182 -4.222 -2.934
59 HA LYS 8 HA LYS 8 6.928 -3.441 -0.153
60 1HB LYS 8 1HB LYS 8 6.572 -5.839 -1.632
61 2HB LYS 8 2HB LYS 8 7.912 -6.119 -0.538
62 1HG LYS 8 1HG LYS 8 6.548 -5.337 1.382
63 2HG LYS 8 2HG LYS 8 5.216 -4.955 0.309
64 1HD LYS 8 1HD LYS 8 4.641 -7.091 1.166
65 2HD LYS 8 2HD LYS 8 5.295 -7.449 -0.419
66 1HE LYS 8 1HE LYS 8 7.492 -8.018 0.572
67 2HE LYS 8 2HE LYS 8 6.925 -7.552 2.164
68 1HZ LYS 8 1HZ LYS 8 5.789 -9.720 0.535
69 2HZ LYS 8 2HZ LYS 8 6.775 -9.916 1.822
70 3HZ LYS 8 3HZ LYS 8 5.280 -9.293 2.027
71 H ASN 9 H ASN 9 9.349 -3.867 -2.673
72 HA ASN 9 HA ASN 9 11.468 -4.362 -0.873
73 1HB ASN 9 1HB ASN 9 11.104 -3.966 -3.808
74 2HB ASN 9 2HB ASN 9 12.654 -3.411 -3.210
75 1HD2 ASN 9 1HD2 ASN 9 13.749 -6.684 -3.794
76 2HD2 ASN 9 2HD2 ASN 9 13.691 -5.049 -4.360
77 H THR 10 H THR 10 11.106 -1.671 -3.308
78 HA THR 10 HA THR 10 12.793 -0.018 -1.630
79 HB THR 10 HB THR 10 12.871 1.383 -3.680
80 HG1 THR 10 HG1 THR 10 11.223 -0.568 -4.996
81 1HG2 THR 10 1HG2 THR 10 12.889 -1.591 -4.419
82 2HG2 THR 10 2HG2 THR 10 13.659 -0.280 -5.345
83 3HG2 THR 10 3HG2 THR 10 14.274 -0.711 -3.731
84 H GLY 11 H GLY 11 9.409 -0.540 -2.127
85 1HA GLY 11 1HA GLY 11 7.565 0.655 -1.655
86 2HA GLY 11 2HA GLY 11 8.533 1.596 -0.538
87 H CYS 12 H CYS 12 9.406 1.362 -3.984
88 HA CYS 12 HA CYS 12 8.459 4.117 -4.302
89 1HB CYS 12 1HB CYS 12 11.068 3.097 -4.572
90 2HB CYS 12 2HB CYS 12 10.500 3.375 -6.206
91 H LYS 13 H LYS 13 6.899 4.368 -6.080
92 HA LYS 13 HA LYS 13 6.747 4.542 -8.281
93 1HB LYS 13 1HB LYS 13 9.269 4.264 -8.193
94 2HB LYS 13 2HB LYS 13 9.026 2.571 -8.569
95 1HG LYS 13 1HG LYS 13 7.751 3.242 -10.640
96 2HG LYS 13 2HG LYS 13 8.078 4.924 -10.273
97 1HD LYS 13 1HD LYS 13 10.590 4.282 -10.262
98 2HD LYS 13 2HD LYS 13 10.101 2.752 -10.962
99 1HE LYS 13 1HE LYS 13 9.506 5.502 -12.158
100 2HE LYS 13 2HE LYS 13 10.763 4.414 -12.710
101 1HZ LYS 13 1HZ LYS 13 8.864 2.769 -12.974
102 2HZ LYS 13 2HZ LYS 13 7.872 4.062 -12.886
103 3HZ LYS 13 3HZ LYS 13 8.987 3.970 -14.075
104 H TYR 14 H TYR 14 4.621 3.581 -8.025
105 HA TYR 14 HA TYR 14 4.603 1.184 -9.704
106 1HB TYR 14 1HB TYR 14 3.696 1.532 -6.953
107 2HB TYR 14 2HB TYR 14 2.266 1.381 -7.955
108 HD1 TYR 14 HD1 TYR 14 5.302 -0.332 -6.757
109 HD2 TYR 14 HD2 TYR 14 1.722 -0.713 -9.068
110 HE1 TYR 14 HE1 TYR 14 5.574 -2.860 -6.776
111 HE2 TYR 14 HE2 TYR 14 2.006 -3.239 -9.080
112 HH TYR 14 HH TYR 14 4.741 -4.752 -7.384
113 H GLU 15 H GLU 15 3.523 1.680 -11.623
114 HA GLU 15 HA GLU 15 1.689 3.800 -11.752
115 1HB GLU 15 1HB GLU 15 3.314 5.474 -12.788
116 2HB GLU 15 2HB GLU 15 3.453 5.258 -11.054
117 1HG GLU 15 1HG GLU 15 5.365 3.713 -11.363
118 2HG GLU 15 2HG GLU 15 5.193 3.808 -13.105
119 H CYS 16 H CYS 16 1.629 4.675 -14.162
120 HA CYS 16 HA CYS 16 2.637 2.650 -15.987
121 1HB CYS 16 1HB CYS 16 0.256 2.827 -17.091
122 2HB CYS 16 2HB CYS 16 0.612 1.647 -15.844
123 H LEU 17 H LEU 17 3.015 3.524 -18.101
124 HA LEU 17 HA LEU 17 3.286 6.345 -18.192
125 1HB LEU 17 1HB LEU 17 4.209 5.986 -20.368
126 2HB LEU 17 2HB LEU 17 4.856 4.806 -19.246
127 HG LEU 17 HG LEU 17 2.703 3.459 -20.335
128 1HD1 LEU 17 1HD1 LEU 17 2.343 5.247 -21.977
129 2HD1 LEU 17 2HD1 LEU 17 4.012 5.043 -22.562
130 3HD1 LEU 17 3HD1 LEU 17 2.835 3.721 -22.751
131 1HD2 LEU 17 1HD2 LEU 17 5.602 3.441 -21.219
132 2HD2 LEU 17 2HD2 LEU 17 4.887 2.505 -19.884
133 3HD2 LEU 17 3HD2 LEU 17 4.405 2.170 -21.563
134 H LYS 18 H LYS 18 1.976 7.902 -19.076
135 HA LYS 18 HA LYS 18 0.148 8.826 -19.906
136 1HB LYS 18 1HB LYS 18 0.736 7.089 -21.814
137 2HB LYS 18 2HB LYS 18 -0.741 6.313 -21.278
138 1HG LYS 18 1HG LYS 18 -1.773 8.746 -21.417
139 2HG LYS 18 2HG LYS 18 -0.383 9.098 -22.423
140 1HD LYS 18 1HD LYS 18 -1.865 8.385 -24.066
141 2HD LYS 18 2HD LYS 18 -1.111 6.853 -23.679
142 1HE LYS 18 1HE LYS 18 -3.001 6.518 -21.938
143 2HE LYS 18 2HE LYS 18 -3.795 7.896 -22.678
144 1HZ LYS 18 1HZ LYS 18 -3.670 6.709 -24.795
145 2HZ LYS 18 2HZ LYS 18 -3.031 5.408 -24.041
146 3HZ LYS 18 3HZ LYS 18 -4.548 5.895 -23.684
147 H LEU 19 H LEU 19 -1.979 9.191 -19.186
148 HA LEU 19 HA LEU 19 -2.891 7.270 -17.193
149 1HB LEU 19 1HB LEU 19 -4.297 9.042 -16.386
150 2HB LEU 19 2HB LEU 19 -2.634 9.583 -16.505
151 HG LEU 19 HG LEU 19 -4.071 10.217 -18.941
152 1HD1 LEU 19 1HD1 LEU 19 -5.270 11.293 -16.372
153 2HD1 LEU 19 2HD1 LEU 19 -5.627 11.879 -18.015
154 3HD1 LEU 19 3HD1 LEU 19 -6.065 10.218 -17.548
155 1HD2 LEU 19 1HD2 LEU 19 -1.951 11.230 -18.204
156 2HD2 LEU 19 2HD2 LEU 19 -3.216 12.446 -18.507
157 3HD2 LEU 19 3HD2 LEU 19 -2.801 11.991 -16.837
158 H GLY 20 H GLY 20 -5.233 6.696 -17.136
159 1HA GLY 20 1HA GLY 20 -7.349 6.712 -18.195
160 2HA GLY 20 2HA GLY 20 -6.574 6.979 -19.744
161 H ASP 21 H ASP 21 -4.519 5.050 -19.774
162 HA ASP 21 HA ASP 21 -6.192 3.020 -20.742
163 1HB ASP 21 1HB ASP 21 -3.154 3.161 -20.455
164 2HB ASP 21 2HB ASP 21 -3.995 1.920 -21.362
165 H ASN 22 H ASN 22 -7.220 1.922 -18.962
166 HA ASN 22 HA ASN 22 -5.620 1.220 -16.708
167 1HB ASN 22 1HB ASN 22 -7.800 0.264 -15.845
168 2HB ASN 22 2HB ASN 22 -7.935 1.944 -16.326
169 1HD2 ASN 22 1HD2 ASN 22 -10.617 -0.483 -17.718
170 2HD2 ASN 22 2HD2 ASN 22 -9.819 -0.417 -16.181
171 H ASP 23 H ASP 23 -4.347 -0.118 -18.634
172 HA ASP 23 HA ASP 23 -5.493 -2.790 -18.632
173 1HB ASP 23 1HB ASP 23 -4.864 -2.148 -20.850
174 2HB ASP 23 2HB ASP 23 -3.374 -1.403 -20.306
175 H TYR 24 H TYR 24 -2.208 -1.190 -18.494
176 HA TYR 24 HA TYR 24 -0.930 -3.368 -17.322
177 1HB TYR 24 1HB TYR 24 -0.431 -0.326 -17.202
178 2HB TYR 24 2HB TYR 24 0.792 -1.528 -16.841
179 HD1 TYR 24 HD1 TYR 24 1.174 -3.323 -18.802
180 HD2 TYR 24 HD2 TYR 24 -0.466 0.593 -19.334
181 HE1 TYR 24 HE1 TYR 24 1.843 -3.368 -21.254
182 HE2 TYR 24 HE2 TYR 24 0.208 0.534 -21.785
183 HH TYR 24 HH TYR 24 0.990 -0.680 -23.406
184 H CYS 25 H CYS 25 -2.590 -0.513 -15.892
185 HA CYS 25 HA CYS 25 -1.583 -0.913 -13.307
186 1HB CYS 25 1HB CYS 25 -3.996 0.570 -14.352
187 2HB CYS 25 2HB CYS 25 -3.568 0.536 -12.653
188 H LEU 26 H LEU 26 -4.456 -2.075 -15.137
189 HA LEU 26 HA LEU 26 -5.724 -3.361 -13.001
190 1HB LEU 26 1HB LEU 26 -6.184 -2.928 -15.695
191 2HB LEU 26 2HB LEU 26 -5.986 -4.666 -15.598
192 HG LEU 26 HG LEU 26 -7.910 -3.088 -13.870
193 1HD1 LEU 26 1HD1 LEU 26 -8.412 -4.571 -16.464
194 2HD1 LEU 26 2HD1 LEU 26 -9.682 -3.989 -15.361
195 3HD1 LEU 26 3HD1 LEU 26 -8.599 -2.826 -16.162
196 1HD2 LEU 26 1HD2 LEU 26 -7.221 -5.204 -12.879
197 2HD2 LEU 26 2HD2 LEU 26 -8.920 -5.275 -13.406
198 3HD2 LEU 26 3HD2 LEU 26 -7.653 -6.066 -14.375
199 H ARG 27 H ARG 27 -3.211 -4.451 -15.362
200 HA ARG 27 HA ARG 27 -3.267 -7.087 -14.558
201 1HB ARG 27 1HB ARG 27 -1.503 -5.327 -16.171
202 2HB ARG 27 2HB ARG 27 -0.637 -6.651 -15.418
203 1HG ARG 27 1HG ARG 27 -1.363 -7.558 -17.490
204 2HG ARG 27 2HG ARG 27 -2.511 -8.198 -16.331
205 1HD ARG 27 1HD ARG 27 -4.037 -6.206 -16.900
206 2HD ARG 27 2HD ARG 27 -2.931 -5.824 -18.205
207 HE ARG 27 HE ARG 27 -3.522 -8.540 -18.546
208 1HH1 ARG 27 2HH1 ARG 27 -5.019 -5.425 -19.052
209 2HH1 ARG 27 1HH1 ARG 27 -6.548 -6.073 -19.544
210 1HH2 ARG 27 1HH2 ARG 27 -5.460 -9.428 -19.448
211 2HH2 ARG 27 2HH2 ARG 27 -6.665 -8.350 -20.072
212 H GLU 28 H GLU 28 -1.358 -4.243 -13.433
213 HA GLU 28 HA GLU 28 0.391 -5.658 -11.816
214 1HB GLU 28 1HB GLU 28 -0.455 -2.836 -12.173
215 2HB GLU 28 2HB GLU 28 0.141 -3.200 -10.565
216 1HG GLU 28 1HG GLU 28 2.043 -2.522 -11.912
217 2HG GLU 28 2HG GLU 28 2.199 -4.241 -11.609
218 H CYS 29 H CYS 29 -2.788 -4.070 -11.103
219 HA CYS 29 HA CYS 29 -2.922 -4.651 -8.427
220 1HB CYS 29 1HB CYS 29 -4.550 -3.434 -10.191
221 2HB CYS 29 2HB CYS 29 -5.415 -4.948 -10.013
222 H LYS 30 H LYS 30 -3.606 -6.684 -11.339
223 HA LYS 30 HA LYS 30 -5.012 -8.598 -9.714
224 1HB LYS 30 1HB LYS 30 -5.093 -7.744 -12.407
225 2HB LYS 30 2HB LYS 30 -4.586 -9.421 -12.452
226 1HG LYS 30 1HG LYS 30 -6.519 -10.098 -11.082
227 2HG LYS 30 2HG LYS 30 -6.986 -8.425 -10.846
228 1HD LYS 30 1HD LYS 30 -7.272 -8.208 -13.361
229 2HD LYS 30 2HD LYS 30 -6.938 -9.923 -13.508
230 1HE LYS 30 1HE LYS 30 -9.299 -9.862 -13.438
231 2HE LYS 30 2HE LYS 30 -8.879 -10.255 -11.783
232 1HZ LYS 30 1HZ LYS 30 -9.456 -7.549 -12.777
233 2HZ LYS 30 2HZ LYS 30 -10.479 -8.477 -11.903
234 3HZ LYS 30 3HZ LYS 30 -9.093 -7.932 -11.231
235 H GLN 31 H GLN 31 -1.753 -8.061 -10.872
236 HA GLN 31 HA GLN 31 -1.130 -10.679 -9.759
237 1HB GLN 31 1HB GLN 31 0.663 -8.745 -11.292
238 2HB GLN 31 2HB GLN 31 1.154 -10.316 -10.693
239 1HG GLN 31 1HG GLN 31 -0.346 -11.475 -12.179
240 2HG GLN 31 2HG GLN 31 -1.235 -10.013 -12.554
241 1HE2 GLN 31 1HE2 GLN 31 1.192 -8.633 -14.776
242 2HE2 GLN 31 2HE2 GLN 31 0.009 -8.235 -13.576
243 H GLN 32 H GLN 32 -2.084 -8.726 -7.854
244 HA GLN 32 HA GLN 32 -0.261 -10.038 -6.259
245 1HB GLN 32 1HB GLN 32 0.584 -8.045 -4.911
246 2HB GLN 32 2HB GLN 32 1.303 -8.240 -6.497
247 1HG GLN 32 1HG GLN 32 -0.730 -6.641 -7.237
248 2HG GLN 32 2HG GLN 32 -0.676 -6.169 -5.550
249 1HE2 GLN 32 1HE2 GLN 32 2.560 -5.462 -8.051
250 2HE2 GLN 32 2HE2 GLN 32 1.389 -6.691 -8.390
251 H TYR 33 H TYR 33 -2.848 -7.553 -6.611
252 HA TYR 33 HA TYR 33 -4.219 -9.098 -4.524
253 1HB TYR 33 1HB TYR 33 -4.924 -6.580 -6.159
254 2HB TYR 33 2HB TYR 33 -5.942 -7.242 -4.895
255 HD1 TYR 33 HD1 TYR 33 -2.836 -5.401 -5.612
256 HD2 TYR 33 HD2 TYR 33 -5.374 -6.956 -2.538
257 HE1 TYR 33 HE1 TYR 33 -1.626 -3.982 -3.885
258 HE2 TYR 33 HE2 TYR 33 -4.154 -5.531 -0.822
259 HH TYR 33 HH TYR 33 -1.752 -3.169 -1.819
260 H GLY 34 H GLY 34 -3.568 -10.593 -6.774
261 1HA GLY 34 1HA GLY 34 -5.342 -10.532 -8.908
262 2HA GLY 34 2HA GLY 34 -4.510 -11.948 -8.296
263 H LYS 35 H LYS 35 -5.933 -11.246 -5.537
264 HA LYS 35 HA LYS 35 -8.227 -12.875 -5.976
265 1HB LYS 35 1HB LYS 35 -7.293 -11.297 -3.561
266 2HB LYS 35 2HB LYS 35 -8.650 -12.405 -3.564
267 1HG LYS 35 1HG LYS 35 -7.214 -14.114 -3.179
268 2HG LYS 35 2HG LYS 35 -6.511 -13.847 -4.761
269 1HD LYS 35 1HD LYS 35 -4.660 -13.647 -3.289
270 2HD LYS 35 2HD LYS 35 -5.086 -11.984 -3.642
271 1HE LYS 35 1HE LYS 35 -6.629 -12.202 -1.492
272 2HE LYS 35 2HE LYS 35 -5.602 -13.569 -1.109
273 1HZ LYS 35 1HZ LYS 35 -3.697 -12.068 -1.370
274 2HZ LYS 35 2HZ LYS 35 -4.716 -10.808 -1.575
275 3HZ LYS 35 3HZ LYS 35 -4.693 -11.618 -0.157
276 H GLY 36 H GLY 36 -8.777 -11.101 -7.868
277 1HA GLY 36 1HA GLY 36 -10.920 -10.615 -8.446
278 2HA GLY 36 2HA GLY 36 -11.392 -10.644 -6.759
279 H ALA 37 H ALA 37 -8.655 -8.679 -7.983
280 HA ALA 37 HA ALA 37 -10.114 -6.364 -6.922
281 1HB ALA 37 1HB ALA 37 -7.978 -7.229 -5.802
282 2HB ALA 37 2HB ALA 37 -7.112 -6.676 -7.256
283 3HB ALA 37 3HB ALA 37 -7.994 -5.505 -6.246
284 H GLY 38 H GLY 38 -8.731 -4.257 -7.951
285 1HA GLY 38 1HA GLY 38 -8.314 -4.393 -10.748
286 2HA GLY 38 2HA GLY 38 -9.976 -3.949 -10.414
287 H GLY 39 H GLY 39 -8.979 -1.897 -11.617
288 1HA GLY 39 1HA GLY 39 -8.135 0.205 -10.026
289 2HA GLY 39 2HA GLY 39 -6.692 -0.708 -10.423
290 H TYR 40 H TYR 40 -6.599 1.754 -11.415
291 HA TYR 40 HA TYR 40 -6.635 1.233 -14.236
292 1HB TYR 40 1HB TYR 40 -7.963 3.460 -14.547
293 2HB TYR 40 2HB TYR 40 -8.911 2.093 -13.994
294 HD1 TYR 40 HD1 TYR 40 -7.262 5.233 -12.908
295 HD2 TYR 40 HD2 TYR 40 -9.981 2.103 -11.849
296 HE1 TYR 40 HE1 TYR 40 -8.032 6.574 -10.890
297 HE2 TYR 40 HE2 TYR 40 -10.741 3.454 -9.835
298 HH TYR 40 HH TYR 40 -9.265 6.607 -9.118
299 H CYS 41 H CYS 41 -5.986 3.565 -15.345
300 HA CYS 41 HA CYS 41 -3.566 4.218 -13.859
301 1HB CYS 41 1HB CYS 41 -4.297 4.334 -16.777
302 2HB CYS 41 2HB CYS 41 -2.916 5.211 -16.150
303 H TYR 42 H TYR 42 -3.998 5.985 -12.512
304 HA TYR 42 HA TYR 42 -5.435 8.257 -13.553
305 1HB TYR 42 1HB TYR 42 -4.441 7.142 -11.060
306 2HB TYR 42 2HB TYR 42 -3.673 8.706 -11.247
307 HD1 TYR 42 HD1 TYR 42 -5.960 10.129 -12.688
308 HD2 TYR 42 HD2 TYR 42 -5.891 7.599 -9.238
309 HE1 TYR 42 HE1 TYR 42 -8.060 11.259 -11.807
310 HE2 TYR 42 HE2 TYR 42 -7.991 8.738 -8.369
311 HH TYR 42 HH TYR 42 -9.485 10.252 -8.709
312 H ALA 43 H ALA 43 -3.847 10.385 -12.592
313 HA ALA 43 HA ALA 43 -2.131 10.894 -14.691
314 1HB ALA 43 1HB ALA 43 -2.157 11.982 -11.846
315 2HB ALA 43 2HB ALA 43 -1.293 12.722 -13.216
316 3HB ALA 43 3HB ALA 43 -3.070 12.622 -13.235
317 H PHE 44 H PHE 44 -0.871 8.949 -15.041
318 HA PHE 44 HA PHE 44 0.970 7.739 -14.882
319 1HB PHE 44 1HB PHE 44 2.028 10.146 -13.290
320 2HB PHE 44 2HB PHE 44 2.984 9.062 -14.282
321 HD1 PHE 44 HD1 PHE 44 2.280 8.980 -16.828
322 HD2 PHE 44 HD2 PHE 44 1.373 12.174 -14.185
323 HE1 PHE 44 HE1 PHE 44 1.996 10.523 -18.788
324 HE2 PHE 44 HE2 PHE 44 1.089 13.716 -16.144
325 HZ PHE 44 HZ PHE 44 1.404 12.871 -18.422
326 H ALA 45 H ALA 45 -0.908 7.157 -12.825
327 HA ALA 45 HA ALA 45 0.914 5.743 -11.146
328 1HB ALA 45 1HB ALA 45 -0.911 7.863 -9.947
329 2HB ALA 45 2HB ALA 45 -0.092 6.592 -9.009
330 3HB ALA 45 3HB ALA 45 0.867 7.815 -9.876
331 H CYS 46 H CYS 46 -0.202 3.999 -9.975
332 HA CYS 46 HA CYS 46 -2.540 3.302 -11.574
333 1HB CYS 46 1HB CYS 46 -0.419 1.639 -10.221
334 2HB CYS 46 2HB CYS 46 -1.917 0.943 -10.806
335 H TRP 47 H TRP 47 -4.411 3.788 -10.451
336 HA TRP 47 HA TRP 47 -4.375 3.505 -7.549
337 1HB TRP 47 1HB TRP 47 -5.179 5.608 -8.412
338 2HB TRP 47 2HB TRP 47 -6.334 4.798 -9.453
339 HD1 TRP 47 HD1 TRP 47 -8.396 3.436 -8.055
340 HE1 TRP 47 HE1 TRP 47 -9.682 4.038 -5.831
341 HE3 TRP 47 HE3 TRP 47 -4.898 6.676 -6.289
342 HZ2 TRP 47 HZ2 TRP 47 -9.106 5.763 -3.632
343 HZ3 TRP 47 HZ3 TRP 47 -5.336 7.776 -4.096
344 HH2 TRP 47 HH2 TRP 47 -7.355 7.365 -2.779
345 H CYS 48 H CYS 48 -5.076 1.603 -6.674
346 HA CYS 48 HA CYS 48 -6.807 -0.070 -8.309
347 1HB CYS 48 1HB CYS 48 -5.086 -0.584 -5.898
348 2HB CYS 48 2HB CYS 48 -6.371 -1.694 -6.334
349 H THR 49 H THR 49 -8.851 -0.894 -7.358
350 HA THR 49 HA THR 49 -9.944 0.736 -5.223
351 HB THR 49 HB THR 49 -10.077 2.302 -7.093
352 HG1 THR 49 HG1 THR 49 -12.340 2.477 -6.913
353 1HG2 THR 49 1HG2 THR 49 -11.037 -0.161 -8.588
354 2HG2 THR 49 2HG2 THR 49 -11.634 1.445 -9.069
355 3HG2 THR 49 3HG2 THR 49 -9.890 1.090 -9.123
356 H HIS 50 H HIS 50 -9.425 -2.132 -5.679
357 HA HIS 50 HA HIS 50 -12.049 -2.857 -4.787
358 1HB HIS 50 1HB HIS 50 -10.858 -4.056 -7.291
359 2HB HIS 50 2HB HIS 50 -12.028 -4.922 -6.315
360 HD1 HIS 50 HD1 HIS 50 -14.384 -3.458 -5.895
361 HD2 HIS 50 HD2 HIS 50 -11.999 -2.469 -9.200
362 HE1 HIS 50 HE1 HIS 50 -15.885 -2.159 -7.496
363 H LEU 51 H LEU 51 -9.363 -2.474 -3.644
364 HA LEU 51 HA LEU 51 -8.313 -5.048 -3.087
365 1HB LEU 51 1HB LEU 51 -8.049 -2.494 -1.498
366 2HB LEU 51 2HB LEU 51 -7.024 -3.911 -1.389
367 HG LEU 51 HG LEU 51 -5.716 -2.533 -2.665
368 1HD1 LEU 51 1HD1 LEU 51 -6.288 -4.700 -3.874
369 2HD1 LEU 51 2HD1 LEU 51 -7.330 -3.715 -4.927
370 3HD1 LEU 51 3HD1 LEU 51 -5.581 -3.392 -4.854
371 1HD2 LEU 51 1HD2 LEU 51 -7.882 -0.942 -2.887
372 2HD2 LEU 51 2HD2 LEU 51 -6.370 -0.690 -3.793
373 3HD2 LEU 51 3HD2 LEU 51 -7.746 -1.511 -4.568
374 H TYR 52 H TYR 52 -8.246 -5.794 -0.632
375 HA TYR 52 HA TYR 52 -10.903 -5.366 0.549
376 1HB TYR 52 1HB TYR 52 -9.476 -7.346 1.969
377 2HB TYR 52 2HB TYR 52 -10.652 -7.679 0.714
378 HD1 TYR 52 HD1 TYR 52 -9.816 -7.883 -1.707
379 HD2 TYR 52 HD2 TYR 52 -7.200 -7.914 1.678
380 HE1 TYR 52 HE1 TYR 52 -7.998 -8.969 -3.113
381 HE2 TYR 52 HE2 TYR 52 -5.390 -9.000 0.260
382 HH TYR 52 HH TYR 52 -5.891 -9.535 -3.202
383 H GLU 53 H GLU 53 -10.341 -6.012 3.198
384 HA GLU 53 HA GLU 53 -9.494 -3.670 4.249
385 1HB GLU 53 1HB GLU 53 -9.484 -6.490 5.382
386 2HB GLU 53 2HB GLU 53 -9.031 -5.110 6.362
387 1HG GLU 53 1HG GLU 53 -11.224 -4.047 5.956
388 2HG GLU 53 2HG GLU 53 -11.678 -5.330 4.853
389 H GLN 54 H GLN 54 -7.569 -6.386 3.042
390 HA GLN 54 HA GLN 54 -5.196 -5.299 4.282
391 1HB GLN 54 1HB GLN 54 -6.061 -7.912 3.559
392 2HB GLN 54 2HB GLN 54 -4.707 -7.555 2.505
393 1HG GLN 54 1HG GLN 54 -3.312 -6.940 4.473
394 2HG GLN 54 2HG GLN 54 -4.668 -7.232 5.544
395 1HE2 GLN 54 1HE2 GLN 54 -4.519 -10.743 5.498
396 2HE2 GLN 54 2HE2 GLN 54 -5.497 -9.343 5.787
397 H ALA 55 H ALA 55 -6.704 -3.846 2.050
398 HA ALA 55 HA ALA 55 -4.891 -3.470 -0.003
399 1HB ALA 55 1HB ALA 55 -7.095 -2.283 0.448
400 2HB ALA 55 2HB ALA 55 -6.224 -1.289 1.641
401 3HB ALA 55 3HB ALA 55 -5.757 -1.232 -0.076
402 H ILE 56 H ILE 56 -2.662 -3.347 0.149
403 HA ILE 56 HA ILE 56 -1.749 -1.322 2.070
404 HB ILE 56 HB ILE 56 -0.064 -3.285 0.518
405 1HG1 ILE 56 1HG1 ILE 56 0.045 -4.023 3.186
406 2HG1 ILE 56 2HG1 ILE 56 -1.654 -3.657 2.953
407 1HG2 ILE 56 1HG2 ILE 56 1.060 -1.202 1.223
408 2HG2 ILE 56 2HG2 ILE 56 0.602 -1.545 2.909
409 3HG2 ILE 56 3HG2 ILE 56 1.705 -2.644 2.045
410 1HD1 ILE 56 1HD1 ILE 56 -1.675 -5.137 0.921
411 2HD1 ILE 56 2HD1 ILE 56 0.024 -5.555 1.250
412 3HD1 ILE 56 3HD1 ILE 56 -1.245 -6.014 2.410
413 H VAL 57 H VAL 57 -0.763 0.576 1.288
414 HA VAL 57 HA VAL 57 -1.016 0.962 -1.594
415 HB VAL 57 HB VAL 57 -3.068 1.766 -1.300
416 1HG1 VAL 57 1HG1 VAL 57 -2.450 2.039 1.659
417 2HG1 VAL 57 2HG1 VAL 57 -4.028 2.411 0.922
418 3HG1 VAL 57 3HG1 VAL 57 -3.387 0.752 0.862
419 1HG2 VAL 57 1HG2 VAL 57 -1.581 4.015 0.098
420 2HG2 VAL 57 2HG2 VAL 57 -1.827 3.837 -1.656
421 3HG2 VAL 57 3HG2 VAL 57 -3.219 4.128 -0.588
422 H TRP 58 H TRP 58 0.143 2.834 -2.372
423 HA TRP 58 HA TRP 58 2.505 3.242 -0.831
424 1HB TRP 58 1HB TRP 58 2.478 2.971 -3.286
425 2HB TRP 58 2HB TRP 58 1.627 4.495 -3.439
426 HD1 TRP 58 HD1 TRP 58 5.118 3.131 -2.508
427 HE1 TRP 58 HE1 TRP 58 6.951 5.024 -2.658
428 HE3 TRP 58 HE3 TRP 58 1.859 6.951 -3.302
429 HZ2 TRP 58 HZ2 TRP 58 6.834 7.843 -3.083
430 HZ3 TRP 58 HZ3 TRP 58 2.801 9.244 -3.575
431 HH2 TRP 58 HH2 TRP 58 5.196 9.720 -3.476
432 HA PRO 59 HA PRO 59 3.873 4.373 -0.434
433 1HB PRO 59 1HB PRO 59 5.250 5.942 1.330
434 2HB PRO 59 2HB PRO 59 5.332 6.154 -0.407
435 1HG PRO 59 1HG PRO 59 3.895 7.788 1.595
436 2HG PRO 59 2HG PRO 59 4.341 8.206 -0.048
437 1HD PRO 59 1HD PRO 59 1.734 7.455 0.885
438 2HD PRO 59 2HD PRO 59 2.206 7.761 -0.774
439 H LEU 60 H LEU 60 5.289 3.570 1.565
440 HA LEU 60 HA LEU 60 3.277 2.584 3.420
441 1HB LEU 60 1HB LEU 60 6.154 1.775 3.464
442 2HB LEU 60 2HB LEU 60 4.727 0.860 3.908
443 HG LEU 60 HG LEU 60 4.411 1.375 1.167
444 1HD1 LEU 60 1HD1 LEU 60 7.280 0.637 1.800
445 2HD1 LEU 60 2HD1 LEU 60 6.514 0.456 0.204
446 3HD1 LEU 60 3HD1 LEU 60 6.697 2.074 0.925
447 1HD2 LEU 60 1HD2 LEU 60 5.357 -1.100 2.637
448 2HD2 LEU 60 2HD2 LEU 60 3.678 -0.637 2.270
449 3HD2 LEU 60 3HD2 LEU 60 4.790 -1.068 0.949
450 HA PRO 61 HA PRO 61 4.285 5.248 6.531
451 1HB PRO 61 1HB PRO 61 3.863 3.807 8.814
452 2HB PRO 61 2HB PRO 61 2.563 4.455 7.837
453 1HG PRO 61 1HG PRO 61 3.504 1.662 8.050
454 2HG PRO 61 2HG PRO 61 1.977 2.262 7.433
455 1HD PRO 61 1HD PRO 61 4.204 1.324 5.887
456 2HD PRO 61 2HD PRO 61 2.723 2.032 5.270
457 H ASN 62 H ASN 62 5.975 2.197 7.089
458 HA ASN 62 HA ASN 62 7.669 3.712 8.892
459 1HB ASN 62 1HB ASN 62 8.267 1.453 9.827
460 2HB ASN 62 2HB ASN 62 6.542 1.755 9.892
461 1HD2 ASN 62 1HD2 ASN 62 7.544 -1.660 8.454
462 2HD2 ASN 62 2HD2 ASN 62 8.132 -0.735 9.794
463 H LYS 63 H LYS 63 7.608 2.826 5.709
464 HA LYS 63 HA LYS 63 10.381 3.239 5.435
465 1HB LYS 63 1HB LYS 63 10.923 1.060 4.329
466 2HB LYS 63 2HB LYS 63 10.692 0.963 6.063
467 1HG LYS 63 1HG LYS 63 8.627 -0.148 5.874
468 2HG LYS 63 2HG LYS 63 8.297 0.505 4.282
469 1HD LYS 63 1HD LYS 63 10.616 -1.411 4.730
470 2HD LYS 63 2HD LYS 63 8.989 -2.012 4.474
471 1HE LYS 63 1HE LYS 63 8.850 -0.928 2.288
472 2HE LYS 63 2HE LYS 63 10.347 -0.058 2.561
473 1HZ LYS 63 1HZ LYS 63 11.357 -2.348 2.796
474 2HZ LYS 63 2HZ LYS 63 9.989 -2.924 2.114
475 3HZ LYS 63 3HZ LYS 63 10.934 -1.875 1.292
476 H ARG 64 H ARG 64 8.589 4.877 4.479
477 HA ARG 64 HA ARG 64 7.752 4.320 1.904
478 1HB ARG 64 1HB ARG 64 7.770 6.801 1.608
479 2HB ARG 64 2HB ARG 64 7.051 6.345 3.139
480 1HG ARG 64 1HG ARG 64 9.071 6.914 4.363
481 2HG ARG 64 2HG ARG 64 10.000 7.074 2.885
482 1HD ARG 64 1HD ARG 64 8.602 9.028 2.203
483 2HD ARG 64 2HD ARG 64 7.640 8.860 3.658
484 HE ARG 64 HE ARG 64 9.440 9.709 4.955
485 1HH1 ARG 64 2HH1 ARG 64 10.640 8.894 1.760
486 2HH1 ARG 64 1HH1 ARG 64 11.934 10.046 1.803
487 1HH2 ARG 64 1HH2 ARG 64 11.184 11.203 5.045
488 2HH2 ARG 64 2HH2 ARG 64 12.323 11.267 3.742
489 H CYS 65 H CYS 65 8.770 5.261 -0.163
490 HA CYS 65 HA CYS 65 11.388 4.542 -0.565
491 1HB CYS 65 1HB CYS 65 9.574 5.095 -2.267
492 2HB CYS 65 2HB CYS 65 10.001 6.780 -2.040
493 H SER 66 H SER 66 13.389 5.651 -0.387
494 HA SER 66 HA SER 66 13.491 7.457 1.709
495 1HB SER 66 1HB SER 66 15.905 7.590 1.200
496 2HB SER 66 2HB SER 66 15.342 5.931 1.137
497 HG SER 66 HG SER 66 16.696 6.414 -0.684
498 1HN NH2 67 1H SER 66 14.326 7.907 -1.749
499 2HN NH2 67 2H SER 66 14.088 9.621 -1.801
No H/Q in entry = 499
Start of MODEL 3
1 1H LYS 1 1H LYS 1 -10.550 -0.606 0.564
2 2H LYS 1 2H LYS 1 -11.340 -0.137 1.942
3 3H LYS 1 3H LYS 1 -11.393 0.819 0.591
4 HA LYS 1 HA LYS 1 -9.936 1.860 1.959
5 1HB LYS 1 1HB LYS 1 -9.740 -0.189 3.451
6 2HB LYS 1 2HB LYS 1 -8.475 -0.757 2.380
7 1HG LYS 1 1HG LYS 1 -7.078 1.166 2.848
8 2HG LYS 1 2HG LYS 1 -8.390 2.018 3.637
9 1HD LYS 1 1HD LYS 1 -7.062 1.173 5.430
10 2HD LYS 1 2HD LYS 1 -8.439 0.091 5.355
11 1HE LYS 1 1HE LYS 1 -7.079 -1.510 3.964
12 2HE LYS 1 2HE LYS 1 -5.700 -0.437 4.105
13 1HZ LYS 1 1HZ LYS 1 -7.090 -1.495 6.459
14 2HZ LYS 1 2HZ LYS 1 -5.845 -2.282 5.753
15 3HZ LYS 1 3HZ LYS 1 -5.615 -0.798 6.396
16 H GLU 2 H GLU 2 -9.911 2.543 -0.422
17 HA GLU 2 HA GLU 2 -8.239 0.846 -2.038
18 1HB GLU 2 1HB GLU 2 -9.990 3.185 -2.905
19 2HB GLU 2 2HB GLU 2 -9.305 1.952 -3.945
20 1HG GLU 2 1HG GLU 2 -11.513 1.654 -1.879
21 2HG GLU 2 2HG GLU 2 -11.568 1.267 -3.587
22 H GLY 3 H GLY 3 -6.529 1.679 -3.431
23 1HA GLY 3 1HA GLY 3 -5.761 4.382 -3.494
24 2HA GLY 3 2HA GLY 3 -4.843 3.571 -2.239
25 H TYR 4 H TYR 4 -3.023 4.216 -3.815
26 HA TYR 4 HA TYR 4 -2.698 2.779 -6.209
27 1HB TYR 4 1HB TYR 4 -0.815 3.987 -4.089
28 2HB TYR 4 2HB TYR 4 -0.231 3.411 -5.638
29 HD1 TYR 4 HD1 TYR 4 -1.966 4.400 -7.647
30 HD2 TYR 4 HD2 TYR 4 -0.857 6.296 -3.977
31 HE1 TYR 4 HE1 TYR 4 -2.449 6.677 -8.670
32 HE2 TYR 4 HE2 TYR 4 -1.343 8.567 -5.012
33 HH TYR 4 HH TYR 4 -1.739 8.989 -8.327
34 H LEU 5 H LEU 5 -1.048 1.033 -6.608
35 HA LEU 5 HA LEU 5 -0.801 -0.824 -4.411
36 1HB LEU 5 1HB LEU 5 -0.450 -0.838 -7.306
37 2HB LEU 5 2HB LEU 5 0.857 -1.656 -6.471
38 HG LEU 5 HG LEU 5 -0.716 -3.153 -5.368
39 1HD1 LEU 5 1HD1 LEU 5 -2.783 -1.371 -6.629
40 2HD1 LEU 5 2HD1 LEU 5 -3.154 -3.070 -6.253
41 3HD1 LEU 5 3HD1 LEU 5 -2.659 -1.959 -4.953
42 1HD2 LEU 5 1HD2 LEU 5 -1.122 -2.959 -8.363
43 2HD2 LEU 5 2HD2 LEU 5 0.143 -3.868 -7.503
44 3HD2 LEU 5 3HD2 LEU 5 -1.560 -4.364 -7.362
45 H VAL 6 H VAL 6 1.587 -1.745 -4.117
46 HA VAL 6 HA VAL 6 3.539 0.367 -4.056
47 HB VAL 6 HB VAL 6 2.120 0.987 -2.183
48 1HG1 VAL 6 1HG1 VAL 6 1.142 -1.240 -1.736
49 2HG1 VAL 6 2HG1 VAL 6 2.698 -1.774 -1.057
50 3HG1 VAL 6 3HG1 VAL 6 1.779 -0.474 -0.261
51 1HG2 VAL 6 1HG2 VAL 6 4.629 1.220 -2.079
52 2HG2 VAL 6 2HG2 VAL 6 3.811 1.162 -0.499
53 3HG2 VAL 6 3HG2 VAL 6 4.660 -0.276 -1.114
54 H ASP 7 H ASP 7 5.653 -0.455 -3.688
55 HA ASP 7 HA ASP 7 5.798 -3.329 -3.619
56 1HB ASP 7 1HB ASP 7 7.287 -2.280 -5.193
57 2HB ASP 7 2HB ASP 7 7.817 -1.091 -4.020
58 H LYS 8 H LYS 8 6.380 -4.457 -1.712
59 HA LYS 8 HA LYS 8 5.972 -2.988 0.650
60 1HB LYS 8 1HB LYS 8 6.325 -5.818 -0.139
61 2HB LYS 8 2HB LYS 8 6.828 -5.441 1.497
62 1HG LYS 8 1HG LYS 8 4.164 -4.422 0.459
63 2HG LYS 8 2HG LYS 8 4.308 -6.074 1.028
64 1HD LYS 8 1HD LYS 8 5.137 -5.273 3.228
65 2HD LYS 8 2HD LYS 8 5.088 -3.615 2.666
66 1HE LYS 8 1HE LYS 8 3.064 -3.963 3.933
67 2HE LYS 8 2HE LYS 8 2.586 -3.908 2.248
68 1HZ LYS 8 1HZ LYS 8 3.151 -6.421 3.651
69 2HZ LYS 8 2HZ LYS 8 1.657 -5.771 3.557
70 3HZ LYS 8 3HZ LYS 8 2.431 -6.238 2.198
71 H ASN 9 H ASN 9 8.822 -3.846 -1.207
72 HA ASN 9 HA ASN 9 10.593 -3.896 0.963
73 1HB ASN 9 1HB ASN 9 10.751 -3.912 -2.021
74 2HB ASN 9 2HB ASN 9 12.159 -3.226 -1.234
75 1HD2 ASN 9 1HD2 ASN 9 13.399 -6.494 -1.141
76 2HD2 ASN 9 2HD2 ASN 9 13.443 -4.936 -1.895
77 H THR 10 H THR 10 10.575 -1.582 -1.862
78 HA THR 10 HA THR 10 11.860 0.359 -0.092
79 HB THR 10 HB THR 10 12.368 1.380 -2.451
80 HG1 THR 10 HG1 THR 10 12.070 -0.369 -4.091
81 1HG2 THR 10 1HG2 THR 10 14.009 -0.094 -1.125
82 2HG2 THR 10 2HG2 THR 10 13.345 -1.486 -2.015
83 3HG2 THR 10 3HG2 THR 10 14.182 -0.184 -2.895
84 H GLY 11 H GLY 11 8.765 -0.343 -1.426
85 1HA GLY 11 1HA GLY 11 6.960 0.888 -1.957
86 2HA GLY 11 2HA GLY 11 7.602 2.174 -0.957
87 H CYS 12 H CYS 12 9.265 0.725 -3.809
88 HA CYS 12 HA CYS 12 8.834 3.245 -5.216
89 1HB CYS 12 1HB CYS 12 11.077 1.553 -4.964
90 2HB CYS 12 2HB CYS 12 10.528 1.380 -6.620
91 H LYS 13 H LYS 13 8.960 2.378 -7.869
92 HA LYS 13 HA LYS 13 7.936 1.316 -9.513
93 1HB LYS 13 1HB LYS 13 7.184 -0.778 -7.452
94 2HB LYS 13 2HB LYS 13 7.070 -0.961 -9.191
95 1HG LYS 13 1HG LYS 13 9.289 -1.427 -9.381
96 2HG LYS 13 2HG LYS 13 9.740 -0.025 -8.432
97 1HD LYS 13 1HD LYS 13 9.300 -1.266 -6.330
98 2HD LYS 13 2HD LYS 13 8.749 -2.658 -7.241
99 1HE LYS 13 1HE LYS 13 11.016 -2.855 -8.300
100 2HE LYS 13 2HE LYS 13 11.565 -1.476 -7.368
101 1HZ LYS 13 1HZ LYS 13 11.077 -2.711 -5.364
102 2HZ LYS 13 2HZ LYS 13 10.565 -3.996 -6.233
103 3HZ LYS 13 3HZ LYS 13 12.131 -3.535 -6.300
104 H TYR 14 H TYR 14 5.509 0.287 -10.029
105 HA TYR 14 HA TYR 14 3.570 1.206 -10.617
106 1HB TYR 14 1HB TYR 14 3.493 1.808 -7.596
107 2HB TYR 14 2HB TYR 14 2.085 1.613 -8.621
108 HD1 TYR 14 HD1 TYR 14 1.733 -0.696 -9.740
109 HD2 TYR 14 HD2 TYR 14 4.418 -0.042 -6.474
110 HE1 TYR 14 HE1 TYR 14 1.692 -3.180 -9.199
111 HE2 TYR 14 HE2 TYR 14 4.367 -2.528 -5.944
112 HH TYR 14 HH TYR 14 3.550 -4.457 -6.449
113 H GLU 15 H GLU 15 4.192 3.025 -11.861
114 HA GLU 15 HA GLU 15 3.919 5.558 -10.602
115 1HB GLU 15 1HB GLU 15 6.319 6.224 -11.421
116 2HB GLU 15 2HB GLU 15 6.142 5.405 -9.883
117 1HG GLU 15 1HG GLU 15 6.599 3.207 -11.030
118 2HG GLU 15 2HG GLU 15 6.841 4.064 -12.539
119 H CYS 16 H CYS 16 2.265 5.837 -12.325
120 HA CYS 16 HA CYS 16 3.039 4.447 -14.738
121 1HB CYS 16 1HB CYS 16 0.997 3.778 -13.570
122 2HB CYS 16 2HB CYS 16 0.335 5.389 -13.762
123 H LEU 17 H LEU 17 4.402 6.130 -15.704
124 HA LEU 17 HA LEU 17 3.502 8.640 -16.427
125 1HB LEU 17 1HB LEU 17 5.268 6.673 -17.885
126 2HB LEU 17 2HB LEU 17 5.038 8.338 -18.381
127 HG LEU 17 HG LEU 17 6.117 7.538 -15.667
128 1HD1 LEU 17 1HD1 LEU 17 7.622 6.707 -17.392
129 2HD1 LEU 17 2HD1 LEU 17 7.657 8.313 -18.160
130 3HD1 LEU 17 3HD1 LEU 17 8.345 8.089 -16.534
131 1HD2 LEU 17 1HD2 LEU 17 5.910 10.174 -17.130
132 2HD2 LEU 17 2HD2 LEU 17 5.228 9.725 -15.549
133 3HD2 LEU 17 3HD2 LEU 17 6.988 9.917 -15.738
134 H LYS 18 H LYS 18 2.310 9.460 -18.210
135 HA LYS 18 HA LYS 18 0.454 9.496 -19.403
136 1HB LYS 18 1HB LYS 18 1.915 8.123 -20.934
137 2HB LYS 18 2HB LYS 18 1.146 6.684 -20.293
138 1HG LYS 18 1HG LYS 18 -1.115 7.826 -20.914
139 2HG LYS 18 2HG LYS 18 -0.153 8.954 -21.850
140 1HD LYS 18 1HD LYS 18 0.797 7.104 -23.185
141 2HD LYS 18 2HD LYS 18 -0.036 5.921 -22.195
142 1HE LYS 18 1HE LYS 18 -2.229 7.185 -22.890
143 2HE LYS 18 2HE LYS 18 -1.246 7.924 -24.139
144 1HZ LYS 18 1HZ LYS 18 -0.666 5.714 -24.898
145 2HZ LYS 18 2HZ LYS 18 -1.594 5.032 -23.740
146 3HZ LYS 18 3HZ LYS 18 -2.285 5.925 -24.921
147 H LEU 19 H LEU 19 -0.566 9.557 -17.193
148 HA LEU 19 HA LEU 19 -1.894 7.359 -16.147
149 1HB LEU 19 1HB LEU 19 -3.327 8.956 -15.074
150 2HB LEU 19 2HB LEU 19 -1.663 9.503 -15.023
151 HG LEU 19 HG LEU 19 -2.591 10.746 -17.297
152 1HD1 LEU 19 1HD1 LEU 19 -4.885 9.995 -16.877
153 2HD1 LEU 19 2HD1 LEU 19 -4.852 10.778 -15.278
154 3HD1 LEU 19 3HD1 LEU 19 -4.740 11.765 -16.755
155 1HD2 LEU 19 1HD2 LEU 19 -1.199 11.755 -15.572
156 2HD2 LEU 19 2HD2 LEU 19 -2.597 12.793 -15.942
157 3HD2 LEU 19 3HD2 LEU 19 -2.586 11.809 -14.459
158 H GLY 20 H GLY 20 -4.098 6.611 -16.399
159 1HA GLY 20 1HA GLY 20 -6.161 6.843 -17.690
160 2HA GLY 20 2HA GLY 20 -5.173 7.171 -19.099
161 H ASP 21 H ASP 21 -3.137 5.261 -18.987
162 HA ASP 21 HA ASP 21 -4.666 3.353 -20.322
163 1HB ASP 21 1HB ASP 21 -1.711 3.334 -19.544
164 2HB ASP 21 2HB ASP 21 -2.435 2.237 -20.703
165 H ASN 22 H ASN 22 -5.949 2.014 -18.959
166 HA ASN 22 HA ASN 22 -4.715 1.085 -16.520
167 1HB ASN 22 1HB ASN 22 -7.059 0.347 -15.949
168 2HB ASN 22 2HB ASN 22 -6.970 2.056 -16.323
169 1HD2 ASN 22 1HD2 ASN 22 -9.718 0.003 -18.141
170 2HD2 ASN 22 2HD2 ASN 22 -9.071 -0.132 -16.540
171 H ASP 23 H ASP 23 -3.380 -0.252 -18.374
172 HA ASP 23 HA ASP 23 -4.937 -2.587 -19.126
173 1HB ASP 23 1HB ASP 23 -3.919 -1.610 -21.053
174 2HB ASP 23 2HB ASP 23 -2.421 -1.279 -20.205
175 H TYR 24 H TYR 24 -1.432 -1.827 -18.434
176 HA TYR 24 HA TYR 24 -0.923 -4.359 -17.294
177 1HB TYR 24 1HB TYR 24 0.421 -1.592 -17.086
178 2HB TYR 24 2HB TYR 24 1.205 -3.087 -16.619
179 HD1 TYR 24 HD1 TYR 24 1.428 -4.917 -18.484
180 HD2 TYR 24 HD2 TYR 24 0.668 -0.780 -19.268
181 HE1 TYR 24 HE1 TYR 24 2.285 -5.203 -20.861
182 HE2 TYR 24 HE2 TYR 24 1.528 -1.080 -21.642
183 HH TYR 24 HH TYR 24 2.667 -4.260 -22.759
184 H CYS 25 H CYS 25 -2.071 -1.240 -16.007
185 HA CYS 25 HA CYS 25 -1.696 -1.709 -13.319
186 1HB CYS 25 1HB CYS 25 -2.491 0.405 -14.216
187 2HB CYS 25 2HB CYS 25 -3.991 -0.338 -14.732
188 H LEU 26 H LEU 26 -4.560 -2.507 -15.432
189 HA LEU 26 HA LEU 26 -6.028 -3.750 -13.446
190 1HB LEU 26 1HB LEU 26 -6.365 -3.077 -16.086
191 2HB LEU 26 2HB LEU 26 -6.369 -4.828 -16.154
192 HG LEU 26 HG LEU 26 -8.167 -3.174 -14.360
193 1HD1 LEU 26 1HD1 LEU 26 -8.696 -2.775 -16.705
194 2HD1 LEU 26 2HD1 LEU 26 -8.793 -4.528 -16.998
195 3HD1 LEU 26 3HD1 LEU 26 -9.970 -3.739 -15.921
196 1HD2 LEU 26 1HD2 LEU 26 -8.100 -6.141 -14.968
197 2HD2 LEU 26 2HD2 LEU 26 -7.789 -5.346 -13.405
198 3HD2 LEU 26 3HD2 LEU 26 -9.422 -5.310 -14.113
199 H ARG 27 H ARG 27 -3.584 -5.075 -15.745
200 HA ARG 27 HA ARG 27 -4.080 -7.715 -15.209
201 1HB ARG 27 1HB ARG 27 -1.658 -6.172 -16.185
202 2HB ARG 27 2HB ARG 27 -1.494 -7.887 -15.862
203 1HG ARG 27 1HG ARG 27 -3.781 -7.974 -17.323
204 2HG ARG 27 2HG ARG 27 -3.108 -6.497 -17.985
205 1HD ARG 27 1HD ARG 27 -0.871 -7.964 -18.148
206 2HD ARG 27 2HD ARG 27 -1.995 -9.307 -18.102
207 HE ARG 27 HE ARG 27 -2.609 -8.799 -20.291
208 1HH1 ARG 27 2HH1 ARG 27 -0.719 -6.136 -19.049
209 2HH1 ARG 27 1HH1 ARG 27 -0.979 -5.131 -20.436
210 1HH2 ARG 27 1HH2 ARG 27 -3.176 -7.365 -22.026
211 2HH2 ARG 27 2HH2 ARG 27 -2.624 -5.724 -21.985
212 H GLU 28 H GLU 28 -1.555 -5.500 -13.796
213 HA GLU 28 HA GLU 28 -0.461 -7.486 -12.191
214 1HB GLU 28 1HB GLU 28 -0.315 -4.456 -12.185
215 2HB GLU 28 2HB GLU 28 0.499 -5.390 -10.944
216 1HG GLU 28 1HG GLU 28 0.891 -5.957 -13.914
217 2HG GLU 28 2HG GLU 28 1.877 -4.792 -13.052
218 H CYS 29 H CYS 29 -2.982 -4.980 -11.615
219 HA CYS 29 HA CYS 29 -3.306 -5.293 -8.914
220 1HB CYS 29 1HB CYS 29 -4.441 -3.681 -10.564
221 2HB CYS 29 2HB CYS 29 -5.623 -4.951 -10.809
222 H LYS 30 H LYS 30 -4.755 -7.162 -11.678
223 HA LYS 30 HA LYS 30 -6.493 -8.589 -9.965
224 1HB LYS 30 1HB LYS 30 -6.540 -7.998 -12.576
225 2HB LYS 30 2HB LYS 30 -5.833 -9.598 -12.698
226 1HG LYS 30 1HG LYS 30 -7.705 -10.592 -11.464
227 2HG LYS 30 2HG LYS 30 -8.368 -9.011 -11.100
228 1HD LYS 30 1HD LYS 30 -8.493 -8.659 -13.679
229 2HD LYS 30 2HD LYS 30 -8.205 -10.382 -13.813
230 1HE LYS 30 1HE LYS 30 -10.478 -9.149 -12.184
231 2HE LYS 30 2HE LYS 30 -10.658 -9.753 -13.819
232 1HZ LYS 30 1HZ LYS 30 -9.834 -11.903 -12.973
233 2HZ LYS 30 2HZ LYS 30 -9.889 -11.311 -11.452
234 3HZ LYS 30 3HZ LYS 30 -11.262 -11.452 -12.323
235 H GLN 31 H GLN 31 -3.319 -9.293 -11.522
236 HA GLN 31 HA GLN 31 -3.362 -11.843 -10.113
237 1HB GLN 31 1HB GLN 31 -1.713 -10.962 -12.523
238 2HB GLN 31 2HB GLN 31 -1.601 -12.535 -11.760
239 1HG GLN 31 1HG GLN 31 -4.031 -12.933 -12.247
240 2HG GLN 31 2HG GLN 31 -4.124 -11.368 -13.031
241 1HE2 GLN 31 1HE2 GLN 31 -2.277 -12.249 -15.934
242 2HE2 GLN 31 2HE2 GLN 31 -2.664 -10.959 -14.844
243 H GLN 32 H GLN 32 -2.799 -9.505 -8.575
244 HA GLN 32 HA GLN 32 -0.651 -10.847 -7.372
245 1HB GLN 32 1HB GLN 32 1.116 -9.412 -7.579
246 2HB GLN 32 2HB GLN 32 0.294 -8.921 -9.046
247 1HG GLN 32 1HG GLN 32 0.627 -6.850 -8.004
248 2HG GLN 32 2HG GLN 32 -0.996 -7.237 -7.469
249 1HE2 GLN 32 1HE2 GLN 32 0.629 -6.141 -4.432
250 2HE2 GLN 32 2HE2 GLN 32 -0.119 -5.558 -5.881
251 H TYR 33 H TYR 33 -2.867 -8.035 -7.542
252 HA TYR 33 HA TYR 33 -3.247 -8.353 -4.640
253 1HB TYR 33 1HB TYR 33 -2.720 -6.099 -6.394
254 2HB TYR 33 2HB TYR 33 -4.386 -5.941 -5.872
255 HD1 TYR 33 HD1 TYR 33 -1.577 -7.367 -3.876
256 HD2 TYR 33 HD2 TYR 33 -4.231 -4.060 -4.442
257 HE1 TYR 33 HE1 TYR 33 -0.796 -6.355 -1.679
258 HE2 TYR 33 HE2 TYR 33 -3.441 -3.059 -2.243
259 HH TYR 33 HH TYR 33 -0.900 -4.657 -0.345
260 H GLY 34 H GLY 34 -4.544 -9.936 -6.981
261 1HA GLY 34 1HA GLY 34 -6.103 -11.193 -5.580
262 2HA GLY 34 2HA GLY 34 -7.008 -9.709 -5.355
263 H LYS 35 H LYS 35 -7.549 -12.490 -6.731
264 HA LYS 35 HA LYS 35 -7.504 -11.822 -9.528
265 1HB LYS 35 1HB LYS 35 -8.302 -14.339 -8.039
266 2HB LYS 35 2HB LYS 35 -8.268 -14.188 -9.784
267 1HG LYS 35 1HG LYS 35 -5.808 -13.450 -9.551
268 2HG LYS 35 2HG LYS 35 -5.909 -13.930 -7.870
269 1HD LYS 35 1HD LYS 35 -6.590 -15.804 -10.182
270 2HD LYS 35 2HD LYS 35 -4.993 -15.709 -9.465
271 1HE LYS 35 1HE LYS 35 -6.060 -16.228 -7.203
272 2HE LYS 35 2HE LYS 35 -7.578 -16.492 -8.038
273 1HZ LYS 35 1HZ LYS 35 -6.479 -18.193 -9.348
274 2HZ LYS 35 2HZ LYS 35 -5.081 -17.960 -8.538
275 3HZ LYS 35 3HZ LYS 35 -6.392 -18.536 -7.754
276 H GLY 36 H GLY 36 -9.060 -9.923 -8.959
277 1HA GLY 36 1HA GLY 36 -11.661 -10.479 -9.828
278 2HA GLY 36 2HA GLY 36 -11.676 -10.459 -8.075
279 H ALA 37 H ALA 37 -9.593 -8.505 -7.611
280 HA ALA 37 HA ALA 37 -11.220 -6.217 -7.746
281 1HB ALA 37 1HB ALA 37 -9.584 -6.711 -5.946
282 2HB ALA 37 2HB ALA 37 -8.255 -6.501 -7.110
283 3HB ALA 37 3HB ALA 37 -9.293 -5.119 -6.687
284 H GLY 38 H GLY 38 -10.503 -4.082 -8.720
285 1HA GLY 38 1HA GLY 38 -8.918 -4.462 -11.182
286 2HA GLY 38 2HA GLY 38 -10.471 -3.650 -11.220
287 H GLY 39 H GLY 39 -9.074 -1.806 -12.092
288 1HA GLY 39 1HA GLY 39 -8.218 0.105 -10.264
289 2HA GLY 39 2HA GLY 39 -6.839 -0.924 -10.594
290 H TYR 40 H TYR 40 -6.632 1.710 -11.350
291 HA TYR 40 HA TYR 40 -6.206 1.319 -14.166
292 1HB TYR 40 1HB TYR 40 -7.376 3.782 -14.302
293 2HB TYR 40 2HB TYR 40 -8.323 2.322 -14.510
294 HD1 TYR 40 HD1 TYR 40 -7.148 4.633 -11.798
295 HD2 TYR 40 HD2 TYR 40 -10.228 2.016 -13.202
296 HE1 TYR 40 HE1 TYR 40 -8.621 5.300 -9.836
297 HE2 TYR 40 HE2 TYR 40 -11.690 2.692 -11.236
298 HH TYR 40 HH TYR 40 -10.487 4.986 -8.801
299 H CYS 41 H CYS 41 -5.016 3.296 -15.108
300 HA CYS 41 HA CYS 41 -3.028 4.063 -13.199
301 1HB CYS 41 1HB CYS 41 -3.379 4.310 -16.155
302 2HB CYS 41 2HB CYS 41 -2.270 5.409 -15.356
303 H TYR 42 H TYR 42 -3.934 5.538 -11.702
304 HA TYR 42 HA TYR 42 -5.293 7.884 -12.662
305 1HB TYR 42 1HB TYR 42 -4.781 6.402 -10.230
306 2HB TYR 42 2HB TYR 42 -4.070 7.984 -9.980
307 HD1 TYR 42 HD1 TYR 42 -7.199 6.942 -11.777
308 HD2 TYR 42 HD2 TYR 42 -5.474 9.183 -8.565
309 HE1 TYR 42 HE1 TYR 42 -9.486 7.886 -11.197
310 HE2 TYR 42 HE2 TYR 42 -7.769 10.118 -7.997
311 HH TYR 42 HH TYR 42 -10.621 9.180 -9.902
312 H ALA 43 H ALA 43 -4.077 9.855 -10.965
313 HA ALA 43 HA ALA 43 -1.897 10.803 -12.342
314 1HB ALA 43 1HB ALA 43 -2.656 11.092 -9.408
315 2HB ALA 43 2HB ALA 43 -1.476 12.117 -10.257
316 3HB ALA 43 3HB ALA 43 -3.185 12.131 -10.752
317 H PHE 44 H PHE 44 -0.679 8.776 -12.848
318 HA PHE 44 HA PHE 44 1.213 7.658 -12.619
319 1HB PHE 44 1HB PHE 44 1.813 9.892 -10.589
320 2HB PHE 44 2HB PHE 44 3.015 8.986 -11.488
321 HD1 PHE 44 HD1 PHE 44 3.056 9.247 -14.026
322 HD2 PHE 44 HD2 PHE 44 0.891 11.858 -11.477
323 HE1 PHE 44 HE1 PHE 44 3.000 10.975 -15.845
324 HE2 PHE 44 HE2 PHE 44 0.835 13.587 -13.296
325 HZ PHE 44 HZ PHE 44 1.890 13.125 -15.458
326 H ALA 45 H ALA 45 -0.918 6.679 -10.513
327 HA ALA 45 HA ALA 45 1.032 4.772 -11.109
328 1HB ALA 45 1HB ALA 45 0.526 5.289 -8.156
329 2HB ALA 45 2HB ALA 45 1.206 3.768 -8.782
330 3HB ALA 45 3HB ALA 45 2.086 5.298 -9.013
331 H CYS 46 H CYS 46 0.128 2.476 -10.225
332 HA CYS 46 HA CYS 46 -2.410 2.345 -11.424
333 1HB CYS 46 1HB CYS 46 -0.828 0.547 -11.669
334 2HB CYS 46 2HB CYS 46 -0.773 0.287 -9.937
335 H TRP 47 H TRP 47 -4.074 3.391 -10.303
336 HA TRP 47 HA TRP 47 -4.338 2.991 -7.456
337 1HB TRP 47 1HB TRP 47 -4.855 5.157 -8.367
338 2HB TRP 47 2HB TRP 47 -6.006 4.468 -9.496
339 HD1 TRP 47 HD1 TRP 47 -8.247 3.222 -8.189
340 HE1 TRP 47 HE1 TRP 47 -9.651 4.010 -6.098
341 HE3 TRP 47 HE3 TRP 47 -4.704 6.361 -6.333
342 HZ2 TRP 47 HZ2 TRP 47 -9.134 5.817 -3.950
343 HZ3 TRP 47 HZ3 TRP 47 -5.233 7.598 -4.235
344 HH2 TRP 47 HH2 TRP 47 -7.359 7.367 -3.051
345 H CYS 48 H CYS 48 -5.234 1.143 -6.654
346 HA CYS 48 HA CYS 48 -6.990 -0.348 -8.454
347 1HB CYS 48 1HB CYS 48 -5.170 -1.169 -6.211
348 2HB CYS 48 2HB CYS 48 -6.521 -2.188 -6.666
349 H THR 49 H THR 49 -9.041 -1.233 -7.486
350 HA THR 49 HA THR 49 -10.058 0.466 -5.367
351 HB THR 49 HB THR 49 -9.946 2.071 -7.204
352 HG1 THR 49 HG1 THR 49 -12.207 2.452 -7.181
353 1HG2 THR 49 1HG2 THR 49 -10.823 -0.302 -8.806
354 2HG2 THR 49 2HG2 THR 49 -11.644 1.228 -9.200
355 3HG2 THR 49 3HG2 THR 49 -9.872 1.114 -9.314
356 H HIS 50 H HIS 50 -9.897 -2.384 -5.549
357 HA HIS 50 HA HIS 50 -12.508 -2.491 -4.498
358 1HB HIS 50 1HB HIS 50 -13.104 -2.992 -6.815
359 2HB HIS 50 2HB HIS 50 -11.927 -4.290 -6.867
360 HD1 HIS 50 HD1 HIS 50 -15.080 -3.362 -4.891
361 HD2 HIS 50 HD2 HIS 50 -12.947 -6.736 -6.179
362 HE1 HIS 50 HE1 HIS 50 -16.489 -5.388 -4.243
363 H LEU 51 H LEU 51 -10.614 -2.599 -2.835
364 HA LEU 51 HA LEU 51 -9.212 -5.168 -3.004
365 1HB LEU 51 1HB LEU 51 -8.382 -2.585 -1.675
366 2HB LEU 51 2HB LEU 51 -7.443 -4.063 -1.726
367 HG LEU 51 HG LEU 51 -8.292 -2.581 -4.223
368 1HD1 LEU 51 1HD1 LEU 51 -6.972 -1.062 -2.839
369 2HD1 LEU 51 2HD1 LEU 51 -5.694 -2.292 -2.687
370 3HD1 LEU 51 3HD1 LEU 51 -6.059 -1.579 -4.277
371 1HD2 LEU 51 1HD2 LEU 51 -6.270 -4.762 -3.671
372 2HD2 LEU 51 2HD2 LEU 51 -7.712 -4.833 -4.713
373 3HD2 LEU 51 3HD2 LEU 51 -6.323 -3.824 -5.183
374 H TYR 52 H TYR 52 -8.289 -5.648 -0.554
375 HA TYR 52 HA TYR 52 -10.723 -5.718 1.090
376 1HB TYR 52 1HB TYR 52 -8.831 -7.498 2.133
377 2HB TYR 52 2HB TYR 52 -10.064 -7.961 0.976
378 HD1 TYR 52 HD1 TYR 52 -6.528 -6.835 1.272
379 HD2 TYR 52 HD2 TYR 52 -9.488 -8.658 -1.221
380 HE1 TYR 52 HE1 TYR 52 -4.727 -7.493 -0.396
381 HE2 TYR 52 HE2 TYR 52 -7.677 -9.310 -2.882
382 HH TYR 52 HH TYR 52 -5.535 -9.434 -3.248
383 H GLU 53 H GLU 53 -9.807 -6.218 3.576
384 HA GLU 53 HA GLU 53 -9.070 -3.705 4.414
385 1HB GLU 53 1HB GLU 53 -10.264 -5.469 5.767
386 2HB GLU 53 2HB GLU 53 -8.746 -6.328 5.937
387 1HG GLU 53 1HG GLU 53 -9.140 -4.932 7.926
388 2HG GLU 53 2HG GLU 53 -7.732 -4.348 7.060
389 H GLN 54 H GLN 54 -7.140 -6.464 3.363
390 HA GLN 54 HA GLN 54 -4.755 -5.322 4.503
391 1HB GLN 54 1HB GLN 54 -5.406 -7.897 3.049
392 2HB GLN 54 2HB GLN 54 -3.737 -7.388 3.221
393 1HG GLN 54 1HG GLN 54 -5.669 -7.648 5.571
394 2HG GLN 54 2HG GLN 54 -4.581 -8.927 5.069
395 1HE2 GLN 54 1HE2 GLN 54 -3.107 -6.836 7.837
396 2HE2 GLN 54 2HE2 GLN 54 -4.608 -7.664 7.591
397 H ALA 55 H ALA 55 -6.407 -3.968 2.291
398 HA ALA 55 HA ALA 55 -4.557 -3.694 0.167
399 1HB ALA 55 1HB ALA 55 -6.931 -2.949 0.111
400 2HB ALA 55 2HB ALA 55 -6.550 -1.705 1.325
401 3HB ALA 55 3HB ALA 55 -5.800 -1.634 -0.287
402 H ILE 56 H ILE 56 -2.426 -3.201 0.524
403 HA ILE 56 HA ILE 56 -1.963 -0.879 2.258
404 HB ILE 56 HB ILE 56 0.114 -2.754 1.144
405 1HG1 ILE 56 1HG1 ILE 56 -1.546 -4.019 2.492
406 2HG1 ILE 56 2HG1 ILE 56 0.065 -4.011 3.183
407 1HG2 ILE 56 1HG2 ILE 56 0.107 -0.657 3.323
408 2HG2 ILE 56 2HG2 ILE 56 1.396 -1.869 3.132
409 3HG2 ILE 56 3HG2 ILE 56 1.076 -0.697 1.830
410 1HD1 ILE 56 1HD1 ILE 56 -2.168 -2.105 4.021
411 2HD1 ILE 56 2HD1 ILE 56 -1.730 -3.597 4.888
412 3HD1 ILE 56 3HD1 ILE 56 -0.565 -2.255 4.781
413 H VAL 57 H VAL 57 -0.986 1.000 1.395
414 HA VAL 57 HA VAL 57 -1.001 1.062 -1.533
415 HB VAL 57 HB VAL 57 -3.067 1.886 -1.424
416 1HG1 VAL 57 1HG1 VAL 57 -2.581 2.538 1.501
417 2HG1 VAL 57 2HG1 VAL 57 -4.125 2.793 0.651
418 3HG1 VAL 57 3HG1 VAL 57 -3.473 1.146 0.839
419 1HG2 VAL 57 1HG2 VAL 57 -1.729 3.891 -1.946
420 2HG2 VAL 57 2HG2 VAL 57 -3.234 4.302 -1.088
421 3HG2 VAL 57 3HG2 VAL 57 -1.683 4.304 -0.215
422 H TRP 58 H TRP 58 0.263 2.780 -2.448
423 HA TRP 58 HA TRP 58 2.633 3.122 -1.042
424 1HB TRP 58 1HB TRP 58 2.461 3.086 -3.477
425 2HB TRP 58 2HB TRP 58 1.585 4.604 -3.460
426 HD1 TRP 58 HD1 TRP 58 5.148 3.225 -2.967
427 HE1 TRP 58 HE1 TRP 58 6.946 5.153 -3.086
428 HE3 TRP 58 HE3 TRP 58 1.803 7.055 -3.052
429 HZ2 TRP 58 HZ2 TRP 58 6.772 8.000 -3.199
430 HZ3 TRP 58 HZ3 TRP 58 2.701 9.378 -3.168
431 HH2 TRP 58 HH2 TRP 58 5.091 9.880 -3.241
432 HA PRO 59 HA PRO 59 4.102 4.165 -0.699
433 1HB PRO 59 1HB PRO 59 5.722 5.507 1.045
434 2HB PRO 59 2HB PRO 59 5.642 5.877 -0.666
435 1HG PRO 59 1HG PRO 59 4.492 7.375 1.609
436 2HG PRO 59 2HG PRO 59 4.794 7.924 -0.028
437 1HD PRO 59 1HD PRO 59 2.258 7.196 1.099
438 2HD PRO 59 2HD PRO 59 2.578 7.633 -0.567
439 H LEU 60 H LEU 60 5.715 3.223 1.229
440 HA LEU 60 HA LEU 60 4.009 2.611 3.480
441 1HB LEU 60 1HB LEU 60 6.951 2.103 3.021
442 2HB LEU 60 2HB LEU 60 5.999 1.492 4.359
443 HG LEU 60 HG LEU 60 5.967 -0.349 3.033
444 1HD1 LEU 60 1HD1 LEU 60 3.624 0.402 3.326
445 2HD1 LEU 60 2HD1 LEU 60 3.701 1.184 1.729
446 3HD1 LEU 60 3HD1 LEU 60 3.868 -0.583 1.864
447 1HD2 LEU 60 1HD2 LEU 60 7.369 0.783 1.280
448 2HD2 LEU 60 2HD2 LEU 60 6.229 -0.439 0.668
449 3HD2 LEU 60 3HD2 LEU 60 5.857 1.292 0.494
450 HA PRO 61 HA PRO 61 4.568 6.101 5.586
451 1HB PRO 61 1HB PRO 61 4.379 5.387 8.217
452 2HB PRO 61 2HB PRO 61 3.002 5.429 7.135
453 1HG PRO 61 1HG PRO 61 4.476 3.084 8.168
454 2HG PRO 61 2HG PRO 61 2.878 3.148 7.451
455 1HD PRO 61 1HD PRO 61 5.289 2.237 6.191
456 2HD PRO 61 2HD PRO 61 3.715 2.411 5.440
457 H ASN 62 H ASN 62 6.813 3.760 6.943
458 HA ASN 62 HA ASN 62 8.264 5.994 8.061
459 1HB ASN 62 1HB ASN 62 9.510 4.222 9.321
460 2HB ASN 62 2HB ASN 62 7.780 4.076 9.556
461 1HD2 ASN 62 1HD2 ASN 62 9.594 0.809 8.661
462 2HD2 ASN 62 2HD2 ASN 62 10.014 2.128 9.701
463 H LYS 63 H LYS 63 8.122 4.481 5.142
464 HA LYS 63 HA LYS 63 10.820 5.127 4.478
465 1HB LYS 63 1HB LYS 63 11.503 2.904 3.727
466 2HB LYS 63 2HB LYS 63 11.224 2.933 5.456
467 1HG LYS 63 1HG LYS 63 8.793 2.129 4.866
468 2HG LYS 63 2HG LYS 63 9.458 1.737 3.293
469 1HD LYS 63 1HD LYS 63 11.206 0.311 4.402
470 2HD LYS 63 2HD LYS 63 10.504 0.683 5.964
471 1HE LYS 63 1HE LYS 63 9.583 -1.443 5.323
472 2HE LYS 63 2HE LYS 63 8.293 -0.279 5.099
473 1HZ LYS 63 1HZ LYS 63 10.091 -1.103 2.930
474 2HZ LYS 63 2HZ LYS 63 8.653 -1.821 3.224
475 3HZ LYS 63 3HZ LYS 63 8.706 -0.246 2.795
476 H ARG 64 H ARG 64 10.481 6.278 2.660
477 HA ARG 64 HA ARG 64 8.588 5.119 0.777
478 1HB ARG 64 1HB ARG 64 8.212 7.603 0.057
479 2HB ARG 64 2HB ARG 64 7.445 7.062 1.538
480 1HG ARG 64 1HG ARG 64 10.226 8.174 1.792
481 2HG ARG 64 2HG ARG 64 8.958 9.317 1.398
482 1HD ARG 64 1HD ARG 64 7.710 8.781 3.400
483 2HD ARG 64 2HD ARG 64 8.667 7.346 3.705
484 HE ARG 64 HE ARG 64 10.327 9.733 3.632
485 1HH1 ARG 64 2HH1 ARG 64 8.008 8.056 5.675
486 2HH1 ARG 64 1HH1 ARG 64 8.783 8.516 7.155
487 1HH2 ARG 64 1HH2 ARG 64 11.361 10.331 5.584
488 2HH2 ARG 64 2HH2 ARG 64 10.673 9.864 7.103
489 H CYS 65 H CYS 65 9.164 5.344 -1.493
490 HA CYS 65 HA CYS 65 12.010 5.455 -1.815
491 1HB CYS 65 1HB CYS 65 10.510 3.710 -2.837
492 2HB CYS 65 2HB CYS 65 9.901 4.948 -3.918
493 H SER 66 H SER 66 13.123 6.949 -3.234
494 HA SER 66 HA SER 66 12.040 9.519 -3.262
495 1HB SER 66 1HB SER 66 14.061 10.100 -4.586
496 2HB SER 66 2HB SER 66 14.458 9.124 -3.187
497 HG SER 66 HG SER 66 15.560 8.378 -5.104
498 1HN NH2 67 1H SER 66 12.674 7.115 -5.829
499 2HN NH2 67 2H SER 66 11.540 7.735 -6.983
No H/Q in entry = 499
Start of MODEL 4
1 1H LYS 1 1H LYS 1 -11.274 -0.279 -0.447
2 2H LYS 1 2H LYS 1 -10.545 -1.717 -0.066
3 3H LYS 1 3H LYS 1 -11.516 -0.962 1.043
4 HA LYS 1 HA LYS 1 -10.067 0.695 1.461
5 1HB LYS 1 1HB LYS 1 -9.470 -1.659 2.286
6 2HB LYS 1 2HB LYS 1 -8.237 -1.673 1.042
7 1HG LYS 1 1HG LYS 1 -7.962 0.848 2.323
8 2HG LYS 1 2HG LYS 1 -8.235 -0.296 3.623
9 1HD LYS 1 1HD LYS 1 -6.425 -1.777 2.536
10 2HD LYS 1 2HD LYS 1 -6.061 -0.420 1.489
11 1HE LYS 1 1HE LYS 1 -4.546 -0.034 3.228
12 2HE LYS 1 2HE LYS 1 -5.898 0.946 3.760
13 1HZ LYS 1 1HZ LYS 1 -5.363 -1.812 4.623
14 2HZ LYS 1 2HZ LYS 1 -5.093 -0.467 5.510
15 3HZ LYS 1 3HZ LYS 1 -6.620 -0.897 5.121
16 H GLU 2 H GLU 2 -10.490 1.819 -0.774
17 HA GLU 2 HA GLU 2 -8.744 0.874 -2.832
18 1HB GLU 2 1HB GLU 2 -10.798 3.123 -2.957
19 2HB GLU 2 2HB GLU 2 -10.082 2.285 -4.320
20 1HG GLU 2 1HG GLU 2 -12.002 1.021 -4.182
21 2HG GLU 2 2HG GLU 2 -11.069 0.129 -2.997
22 H GLY 3 H GLY 3 -6.925 1.907 -3.632
23 1HA GLY 3 1HA GLY 3 -6.393 4.674 -3.168
24 2HA GLY 3 2HA GLY 3 -5.513 3.653 -2.048
25 H TYR 4 H TYR 4 -3.812 4.978 -3.568
26 HA TYR 4 HA TYR 4 -3.033 3.438 -5.848
27 1HB TYR 4 1HB TYR 4 -1.593 5.339 -3.893
28 2HB TYR 4 2HB TYR 4 -0.904 4.812 -5.415
29 HD1 TYR 4 HD1 TYR 4 -2.235 5.392 -7.578
30 HD2 TYR 4 HD2 TYR 4 -2.902 7.284 -3.798
31 HE1 TYR 4 HE1 TYR 4 -3.339 7.361 -8.749
32 HE2 TYR 4 HE2 TYR 4 -4.003 9.246 -4.983
33 HH TYR 4 HH TYR 4 -4.084 9.405 -8.515
34 H LEU 5 H LEU 5 -2.607 1.282 -5.544
35 HA LEU 5 HA LEU 5 -1.726 0.065 -3.276
36 1HB LEU 5 1HB LEU 5 -1.420 -1.786 -4.557
37 2HB LEU 5 2HB LEU 5 -2.480 -0.842 -5.585
38 HG LEU 5 HG LEU 5 0.474 -0.573 -5.986
39 1HD1 LEU 5 1HD1 LEU 5 -1.149 -2.985 -6.830
40 2HD1 LEU 5 2HD1 LEU 5 0.422 -2.537 -7.535
41 3HD1 LEU 5 3HD1 LEU 5 0.308 -2.951 -5.807
42 1HD2 LEU 5 1HD2 LEU 5 -1.932 -0.551 -7.826
43 2HD2 LEU 5 2HD2 LEU 5 -0.968 0.846 -7.290
44 3HD2 LEU 5 3HD2 LEU 5 -0.243 -0.380 -8.358
45 H VAL 6 H VAL 6 0.255 -0.370 -2.281
46 HA VAL 6 HA VAL 6 2.514 1.155 -3.378
47 HB VAL 6 HB VAL 6 1.539 1.766 -1.121
48 1HG1 VAL 6 1HG1 VAL 6 1.112 -0.525 -0.321
49 2HG1 VAL 6 2HG1 VAL 6 2.864 -0.839 -0.289
50 3HG1 VAL 6 3HG1 VAL 6 2.158 0.381 0.800
51 1HG2 VAL 6 1HG2 VAL 6 3.855 2.333 -1.946
52 2HG2 VAL 6 2HG2 VAL 6 3.683 2.258 -0.176
53 3HG2 VAL 6 3HG2 VAL 6 4.449 0.912 -1.054
54 H ASP 7 H ASP 7 4.645 0.140 -3.289
55 HA ASP 7 HA ASP 7 4.433 -2.696 -3.667
56 1HB ASP 7 1HB ASP 7 5.826 -1.055 -5.104
57 2HB ASP 7 2HB ASP 7 6.942 -0.964 -3.756
58 H LYS 8 H LYS 8 5.927 -4.205 -2.470
59 HA LYS 8 HA LYS 8 6.181 -3.342 0.289
60 1HB LYS 8 1HB LYS 8 5.838 -5.902 -1.145
61 2HB LYS 8 2HB LYS 8 6.921 -5.978 0.230
62 1HG LYS 8 1HG LYS 8 5.222 -5.106 1.732
63 2HG LYS 8 2HG LYS 8 4.173 -4.667 0.399
64 1HD LYS 8 1HD LYS 8 3.880 -7.060 -0.196
65 2HD LYS 8 2HD LYS 8 4.993 -7.532 1.073
66 1HE LYS 8 1HE LYS 8 2.738 -7.826 1.930
67 2HE LYS 8 2HE LYS 8 3.447 -6.461 2.770
68 1HZ LYS 8 1HZ LYS 8 1.798 -6.136 0.368
69 2HZ LYS 8 2HZ LYS 8 1.169 -6.127 1.875
70 3HZ LYS 8 3HZ LYS 8 2.247 -4.982 1.433
71 H ASN 9 H ASN 9 8.115 -3.802 -2.592
72 HA ASN 9 HA ASN 9 10.424 -4.534 -1.043
73 1HB ASN 9 1HB ASN 9 9.534 -4.776 -3.846
74 2HB ASN 9 2HB ASN 9 11.183 -4.190 -3.755
75 1HD2 ASN 9 1HD2 ASN 9 12.599 -7.105 -2.344
76 2HD2 ASN 9 2HD2 ASN 9 12.736 -5.386 -2.511
77 H THR 10 H THR 10 9.812 -2.263 -3.840
78 HA THR 10 HA THR 10 11.932 -0.534 -2.840
79 HB THR 10 HB THR 10 11.577 0.531 -5.121
80 HG1 THR 10 HG1 THR 10 10.026 -0.783 -6.449
81 1HG2 THR 10 1HG2 THR 10 13.068 -1.568 -4.812
82 2HG2 THR 10 2HG2 THR 10 11.669 -2.513 -5.375
83 3HG2 THR 10 3HG2 THR 10 12.420 -1.309 -6.449
84 H GLY 11 H GLY 11 8.575 -0.881 -2.430
85 1HA GLY 11 1HA GLY 11 7.091 0.538 -1.432
86 2HA GLY 11 2HA GLY 11 8.274 1.831 -1.471
87 H CYS 12 H CYS 12 8.373 0.599 -4.590
88 HA CYS 12 HA CYS 12 7.058 3.113 -5.268
89 1HB CYS 12 1HB CYS 12 9.412 1.632 -6.403
90 2HB CYS 12 2HB CYS 12 8.552 2.808 -7.378
91 H LYS 13 H LYS 13 8.016 0.260 -7.294
92 HA LYS 13 HA LYS 13 6.966 -0.713 -8.974
93 1HB LYS 13 1HB LYS 13 5.688 -1.748 -7.164
94 2HB LYS 13 2HB LYS 13 4.545 -0.420 -7.170
95 1HG LYS 13 1HG LYS 13 3.761 -0.976 -9.395
96 2HG LYS 13 2HG LYS 13 5.092 -2.084 -9.664
97 1HD LYS 13 1HD LYS 13 3.125 -2.532 -7.388
98 2HD LYS 13 2HD LYS 13 2.760 -3.078 -9.013
99 1HE LYS 13 1HE LYS 13 4.185 -4.849 -8.845
100 2HE LYS 13 2HE LYS 13 5.487 -3.844 -8.242
101 1HZ LYS 13 1HZ LYS 13 3.237 -4.705 -6.567
102 2HZ LYS 13 2HZ LYS 13 4.643 -5.530 -6.668
103 3HZ LYS 13 3HZ LYS 13 4.628 -4.010 -6.071
104 H TYR 14 H TYR 14 4.205 1.527 -8.044
105 HA TYR 14 HA TYR 14 2.888 1.104 -10.193
106 1HB TYR 14 1HB TYR 14 3.147 4.016 -10.071
107 2HB TYR 14 2HB TYR 14 1.847 3.036 -9.423
108 HD1 TYR 14 HD1 TYR 14 1.865 2.310 -7.071
109 HD2 TYR 14 HD2 TYR 14 4.979 4.780 -8.653
110 HE1 TYR 14 HE1 TYR 14 2.620 2.883 -4.711
111 HE2 TYR 14 HE2 TYR 14 5.723 5.345 -6.288
112 HH TYR 14 HH TYR 14 4.978 3.627 -3.708
113 H GLU 15 H GLU 15 5.232 3.885 -10.387
114 HA GLU 15 HA GLU 15 5.651 5.030 -12.265
115 1HB GLU 15 1HB GLU 15 7.089 2.370 -12.650
116 2HB GLU 15 2HB GLU 15 7.469 3.815 -13.565
117 1HG GLU 15 1HG GLU 15 7.583 3.589 -10.519
118 2HG GLU 15 2HG GLU 15 8.972 3.524 -11.585
119 H CYS 16 H CYS 16 3.168 4.634 -12.884
120 HA CYS 16 HA CYS 16 2.966 3.273 -15.399
121 1HB CYS 16 1HB CYS 16 1.060 3.603 -13.798
122 2HB CYS 16 2HB CYS 16 1.085 5.309 -14.196
123 H LEU 17 H LEU 17 3.135 4.272 -17.476
124 HA LEU 17 HA LEU 17 5.108 6.313 -17.358
125 1HB LEU 17 1HB LEU 17 3.798 4.958 -19.721
126 2HB LEU 17 2HB LEU 17 5.222 5.976 -19.786
127 HG LEU 17 HG LEU 17 5.029 3.347 -18.290
128 1HD1 LEU 17 1HD1 LEU 17 4.899 3.014 -20.705
129 2HD1 LEU 17 2HD1 LEU 17 6.373 3.986 -20.930
130 3HD1 LEU 17 3HD1 LEU 17 6.455 2.435 -20.060
131 1HD2 LEU 17 1HD2 LEU 17 7.308 5.290 -18.700
132 2HD2 LEU 17 2HD2 LEU 17 6.631 4.676 -17.171
133 3HD2 LEU 17 3HD2 LEU 17 7.553 3.589 -18.237
134 H LYS 18 H LYS 18 1.630 6.187 -17.850
135 HA LYS 18 HA LYS 18 1.638 9.078 -17.956
136 1HB LYS 18 1HB LYS 18 0.232 9.244 -19.908
137 2HB LYS 18 2HB LYS 18 1.713 8.411 -20.332
138 1HG LYS 18 1HG LYS 18 0.559 6.214 -20.147
139 2HG LYS 18 2HG LYS 18 -0.919 7.015 -19.652
140 1HD LYS 18 1HD LYS 18 -0.945 8.260 -21.848
141 2HD LYS 18 2HD LYS 18 0.486 7.377 -22.341
142 1HE LYS 18 1HE LYS 18 -0.740 5.224 -22.145
143 2HE LYS 18 2HE LYS 18 -2.163 6.065 -21.564
144 1HZ LYS 18 1HZ LYS 18 -0.922 6.476 -24.197
145 2HZ LYS 18 2HZ LYS 18 -2.285 5.621 -23.913
146 3HZ LYS 18 3HZ LYS 18 -2.264 7.233 -23.654
147 H LEU 19 H LEU 19 -1.030 9.617 -18.168
148 HA LEU 19 HA LEU 19 -2.332 7.719 -16.351
149 1HB LEU 19 1HB LEU 19 -3.973 9.527 -15.996
150 2HB LEU 19 2HB LEU 19 -2.350 9.910 -15.458
151 HG LEU 19 HG LEU 19 -2.914 10.801 -18.205
152 1HD1 LEU 19 1HD1 LEU 19 -4.506 11.974 -15.910
153 2HD1 LEU 19 2HD1 LEU 19 -4.339 12.698 -17.526
154 3HD1 LEU 19 3HD1 LEU 19 -5.151 11.125 -17.336
155 1HD2 LEU 19 1HD2 LEU 19 -0.897 11.382 -16.860
156 2HD2 LEU 19 2HD2 LEU 19 -1.786 12.793 -17.483
157 3HD2 LEU 19 3HD2 LEU 19 -1.945 12.324 -15.774
158 H GLY 20 H GLY 20 -4.350 6.783 -16.924
159 1HA GLY 20 1HA GLY 20 -6.284 6.989 -18.405
160 2HA GLY 20 2HA GLY 20 -5.168 7.237 -19.733
161 H ASP 21 H ASP 21 -3.161 5.284 -19.141
162 HA ASP 21 HA ASP 21 -4.516 3.225 -20.484
163 1HB ASP 21 1HB ASP 21 -2.212 2.098 -20.352
164 2HB ASP 21 2HB ASP 21 -2.263 3.656 -21.151
165 H ASN 22 H ASN 22 -5.953 2.039 -19.116
166 HA ASN 22 HA ASN 22 -5.058 1.593 -16.413
167 1HB ASN 22 1HB ASN 22 -7.497 0.808 -16.125
168 2HB ASN 22 2HB ASN 22 -7.295 2.492 -16.565
169 1HD2 ASN 22 1HD2 ASN 22 -8.672 2.277 -19.789
170 2HD2 ASN 22 2HD2 ASN 22 -7.690 3.180 -18.684
171 H ASP 23 H ASP 23 -3.671 0.023 -18.346
172 HA ASP 23 HA ASP 23 -5.165 -2.464 -18.504
173 1HB ASP 23 1HB ASP 23 -4.293 -1.359 -20.618
174 2HB ASP 23 2HB ASP 23 -2.661 -1.590 -20.022
175 H TYR 24 H TYR 24 -1.842 -1.082 -17.941
176 HA TYR 24 HA TYR 24 -0.799 -3.512 -16.894
177 1HB TYR 24 1HB TYR 24 0.009 -0.546 -16.653
178 2HB TYR 24 2HB TYR 24 1.076 -1.887 -16.288
179 HD1 TYR 24 HD1 TYR 24 1.510 -3.583 -18.253
180 HD2 TYR 24 HD2 TYR 24 0.022 0.392 -18.793
181 HE1 TYR 24 HE1 TYR 24 2.288 -3.614 -20.673
182 HE2 TYR 24 HE2 TYR 24 0.804 0.348 -21.212
183 HH TYR 24 HH TYR 24 1.681 -0.829 -22.796
184 H CYS 25 H CYS 25 -2.447 -0.646 -15.550
185 HA CYS 25 HA CYS 25 -1.820 -1.030 -12.885
186 1HB CYS 25 1HB CYS 25 -2.945 0.957 -13.771
187 2HB CYS 25 2HB CYS 25 -4.382 0.013 -14.110
188 H LEU 26 H LEU 26 -4.639 -2.237 -14.852
189 HA LEU 26 HA LEU 26 -5.802 -3.786 -12.898
190 1HB LEU 26 1HB LEU 26 -6.267 -3.192 -15.526
191 2HB LEU 26 2HB LEU 26 -5.862 -4.895 -15.621
192 HG LEU 26 HG LEU 26 -8.015 -3.728 -13.835
193 1HD1 LEU 26 1HD1 LEU 26 -8.599 -3.458 -16.186
194 2HD1 LEU 26 2HD1 LEU 26 -8.272 -5.183 -16.481
195 3HD1 LEU 26 3HD1 LEU 26 -9.616 -4.700 -15.418
196 1HD2 LEU 26 1HD2 LEU 26 -7.240 -6.591 -14.443
197 2HD2 LEU 26 2HD2 LEU 26 -7.145 -5.751 -12.877
198 3HD2 LEU 26 3HD2 LEU 26 -8.731 -6.101 -13.604
199 H ARG 27 H ARG 27 -3.303 -4.746 -15.355
200 HA ARG 27 HA ARG 27 -3.342 -7.391 -14.688
201 1HB ARG 27 1HB ARG 27 -1.421 -5.546 -16.071
202 2HB ARG 27 2HB ARG 27 -0.757 -7.081 -15.549
203 1HG ARG 27 1HG ARG 27 -2.142 -8.331 -16.970
204 2HG ARG 27 2HG ARG 27 -3.410 -7.121 -16.982
205 1HD ARG 27 1HD ARG 27 -1.702 -5.610 -18.264
206 2HD ARG 27 2HD ARG 27 -0.773 -7.076 -18.503
207 HE ARG 27 HE ARG 27 -2.433 -7.895 -19.974
208 1HH1 ARG 27 2HH1 ARG 27 -3.888 -5.348 -18.070
209 2HH1 ARG 27 1HH1 ARG 27 -5.142 -5.023 -19.219
210 1HH2 ARG 27 1HH2 ARG 27 -3.966 -7.315 -21.611
211 2HH2 ARG 27 2HH2 ARG 27 -5.024 -5.970 -21.347
212 H GLU 28 H GLU 28 -1.237 -4.704 -13.472
213 HA GLU 28 HA GLU 28 0.445 -6.194 -11.929
214 1HB GLU 28 1HB GLU 28 -0.570 -3.364 -11.834
215 2HB GLU 28 2HB GLU 28 0.335 -3.948 -10.452
216 1HG GLU 28 1HG GLU 28 1.456 -4.472 -13.206
217 2HG GLU 28 2HG GLU 28 1.567 -2.844 -12.567
218 H CYS 29 H CYS 29 -2.624 -4.535 -10.871
219 HA CYS 29 HA CYS 29 -2.356 -5.378 -8.232
220 1HB CYS 29 1HB CYS 29 -4.407 -4.037 -9.871
221 2HB CYS 29 2HB CYS 29 -5.036 -4.924 -8.497
222 H LYS 30 H LYS 30 -3.668 -6.864 -11.174
223 HA LYS 30 HA LYS 30 -5.185 -8.871 -9.901
224 1HB LYS 30 1HB LYS 30 -5.149 -8.003 -12.378
225 2HB LYS 30 2HB LYS 30 -3.905 -9.215 -12.599
226 1HG LYS 30 1HG LYS 30 -5.469 -10.944 -11.616
227 2HG LYS 30 2HG LYS 30 -6.717 -9.718 -11.517
228 1HD LYS 30 1HD LYS 30 -6.433 -9.355 -14.037
229 2HD LYS 30 2HD LYS 30 -5.371 -10.747 -14.056
230 1HE LYS 30 1HE LYS 30 -8.265 -10.786 -13.072
231 2HE LYS 30 2HE LYS 30 -7.746 -11.319 -14.659
232 1HZ LYS 30 1HZ LYS 30 -6.238 -12.874 -13.450
233 2HZ LYS 30 2HZ LYS 30 -7.028 -12.494 -12.072
234 3HZ LYS 30 3HZ LYS 30 -7.832 -13.200 -13.305
235 H GLN 31 H GLN 31 -1.776 -8.678 -11.088
236 HA GLN 31 HA GLN 31 -1.345 -11.336 -10.053
237 1HB GLN 31 1HB GLN 31 0.474 -9.447 -11.612
238 2HB GLN 31 2HB GLN 31 0.927 -11.066 -11.119
239 1HG GLN 31 1HG GLN 31 -0.967 -12.016 -12.426
240 2HG GLN 31 2HG GLN 31 -1.477 -10.403 -12.886
241 1HE2 GLN 31 1HE2 GLN 31 0.297 -11.135 -15.846
242 2HE2 GLN 31 2HE2 GLN 31 -1.244 -11.153 -15.058
243 H GLN 32 H GLN 32 -1.956 -9.353 -8.034
244 HA GLN 32 HA GLN 32 0.012 -10.567 -6.451
245 1HB GLN 32 1HB GLN 32 0.767 -8.447 -5.267
246 2HB GLN 32 2HB GLN 32 1.404 -8.658 -6.886
247 1HG GLN 32 1HG GLN 32 -0.842 -7.278 -7.524
248 2HG GLN 32 2HG GLN 32 -0.639 -6.689 -5.886
249 1HE2 GLN 32 1HE2 GLN 32 1.952 -5.681 -8.920
250 2HE2 GLN 32 2HE2 GLN 32 0.845 -7.006 -9.050
251 H TYR 33 H TYR 33 -2.659 -8.191 -6.789
252 HA TYR 33 HA TYR 33 -3.704 -9.170 -4.217
253 1HB TYR 33 1HB TYR 33 -3.714 -6.499 -5.725
254 2HB TYR 33 2HB TYR 33 -4.942 -6.813 -4.514
255 HD1 TYR 33 HD1 TYR 33 -3.551 -8.109 -2.334
256 HD2 TYR 33 HD2 TYR 33 -2.196 -4.957 -4.889
257 HE1 TYR 33 HE1 TYR 33 -1.957 -7.314 -0.519
258 HE2 TYR 33 HE2 TYR 33 -0.607 -4.171 -3.065
259 HH TYR 33 HH TYR 33 -0.647 -5.672 0.130
260 H GLY 34 H GLY 34 -3.985 -9.980 -7.264
261 1HA GLY 34 1HA GLY 34 -6.702 -9.469 -7.924
262 2HA GLY 34 2HA GLY 34 -5.640 -10.671 -8.630
263 H LYS 35 H LYS 35 -7.499 -10.043 -5.533
264 HA LYS 35 HA LYS 35 -8.509 -12.769 -5.902
265 1HB LYS 35 1HB LYS 35 -8.785 -10.859 -3.563
266 2HB LYS 35 2HB LYS 35 -9.543 -12.435 -3.663
267 1HG LYS 35 1HG LYS 35 -6.540 -12.121 -4.033
268 2HG LYS 35 2HG LYS 35 -7.242 -12.238 -2.431
269 1HD LYS 35 1HD LYS 35 -8.268 -14.303 -4.290
270 2HD LYS 35 2HD LYS 35 -6.533 -14.395 -4.061
271 1HE LYS 35 1HE LYS 35 -7.564 -15.774 -2.350
272 2HE LYS 35 2HE LYS 35 -6.905 -14.359 -1.553
273 1HZ LYS 35 1HZ LYS 35 -9.706 -14.593 -2.407
274 2HZ LYS 35 2HZ LYS 35 -9.181 -14.898 -0.892
275 3HZ LYS 35 3HZ LYS 35 -9.060 -13.392 -1.510
276 H GLY 36 H GLY 36 -9.015 -9.568 -6.855
277 1HA GLY 36 1HA GLY 36 -11.215 -9.970 -8.358
278 2HA GLY 36 2HA GLY 36 -11.907 -9.615 -6.787
279 H ALA 37 H ALA 37 -8.961 -8.321 -8.518
280 HA ALA 37 HA ALA 37 -9.766 -5.732 -7.399
281 1HB ALA 37 1HB ALA 37 -7.704 -6.718 -6.484
282 2HB ALA 37 2HB ALA 37 -7.027 -6.849 -8.125
283 3HB ALA 37 3HB ALA 37 -7.340 -5.246 -7.417
284 H GLY 38 H GLY 38 -10.301 -4.094 -8.804
285 1HA GLY 38 1HA GLY 38 -9.010 -4.182 -11.466
286 2HA GLY 38 2HA GLY 38 -10.524 -3.373 -11.110
287 H GLY 39 H GLY 39 -8.953 -1.654 -12.255
288 1HA GLY 39 1HA GLY 39 -8.272 0.334 -10.429
289 2HA GLY 39 2HA GLY 39 -6.813 -0.579 -10.754
290 H TYR 40 H TYR 40 -6.744 2.026 -11.530
291 HA TYR 40 HA TYR 40 -6.361 1.617 -14.363
292 1HB TYR 40 1HB TYR 40 -7.508 4.064 -14.508
293 2HB TYR 40 2HB TYR 40 -8.507 2.627 -14.585
294 HD1 TYR 40 HD1 TYR 40 -7.280 5.290 -12.297
295 HD2 TYR 40 HD2 TYR 40 -10.138 2.166 -12.912
296 HE1 TYR 40 HE1 TYR 40 -8.598 6.089 -10.276
297 HE2 TYR 40 HE2 TYR 40 -11.448 2.976 -10.889
298 HH TYR 40 HH TYR 40 -11.503 4.344 -9.214
299 H CYS 41 H CYS 41 -5.207 3.626 -15.327
300 HA CYS 41 HA CYS 41 -3.165 4.322 -13.402
301 1HB CYS 41 1HB CYS 41 -3.368 4.236 -16.368
302 2HB CYS 41 2HB CYS 41 -2.277 5.422 -15.681
303 H TYR 42 H TYR 42 -3.890 6.058 -12.110
304 HA TYR 42 HA TYR 42 -4.915 8.427 -13.384
305 1HB TYR 42 1HB TYR 42 -4.523 7.236 -10.758
306 2HB TYR 42 2HB TYR 42 -3.652 8.756 -10.756
307 HD1 TYR 42 HD1 TYR 42 -5.431 10.415 -12.507
308 HD2 TYR 42 HD2 TYR 42 -6.373 7.658 -9.373
309 HE1 TYR 42 HE1 TYR 42 -7.606 11.654 -12.060
310 HE2 TYR 42 HE2 TYR 42 -8.545 8.907 -8.937
311 HH TYR 42 HH TYR 42 -9.403 11.762 -10.877
312 H ALA 43 H ALA 43 -3.374 10.386 -11.950
313 HA ALA 43 HA ALA 43 -1.411 10.939 -13.789
314 1HB ALA 43 1HB ALA 43 -1.670 11.793 -10.877
315 2HB ALA 43 2HB ALA 43 -0.632 12.585 -12.085
316 3HB ALA 43 3HB ALA 43 -2.399 12.597 -12.287
317 H PHE 44 H PHE 44 -0.242 8.918 -14.163
318 HA PHE 44 HA PHE 44 1.651 7.796 -14.031
319 1HB PHE 44 1HB PHE 44 2.509 9.973 -12.042
320 2HB PHE 44 2HB PHE 44 3.561 9.078 -13.119
321 HD1 PHE 44 HD1 PHE 44 3.029 9.372 -15.689
322 HD2 PHE 44 HD2 PHE 44 1.833 12.095 -12.662
323 HE1 PHE 44 HE1 PHE 44 2.815 11.188 -17.408
324 HE2 PHE 44 HE2 PHE 44 1.619 13.912 -14.381
325 HZ PHE 44 HZ PHE 44 2.112 13.436 -16.733
326 H ALA 45 H ALA 45 -0.478 7.221 -11.996
327 HA ALA 45 HA ALA 45 1.142 5.210 -10.821
328 1HB ALA 45 1HB ALA 45 -0.096 7.337 -9.033
329 2HB ALA 45 2HB ALA 45 0.417 5.735 -8.449
330 3HB ALA 45 3HB ALA 45 1.617 6.859 -9.132
331 H CYS 46 H CYS 46 -0.430 3.769 -9.336
332 HA CYS 46 HA CYS 46 -2.657 3.459 -11.211
333 1HB CYS 46 1HB CYS 46 -1.234 1.711 -11.684
334 2HB CYS 46 2HB CYS 46 -0.711 1.528 -10.022
335 H TRP 47 H TRP 47 -4.485 4.189 -10.122
336 HA TRP 47 HA TRP 47 -4.839 3.545 -7.331
337 1HB TRP 47 1HB TRP 47 -5.608 5.682 -8.169
338 2HB TRP 47 2HB TRP 47 -6.625 4.897 -9.360
339 HD1 TRP 47 HD1 TRP 47 -8.702 3.295 -8.185
340 HE1 TRP 47 HE1 TRP 47 -10.245 3.767 -6.097
341 HE3 TRP 47 HE3 TRP 47 -5.660 6.775 -6.065
342 HZ2 TRP 47 HZ2 TRP 47 -10.024 5.503 -3.843
343 HZ3 TRP 47 HZ3 TRP 47 -6.399 7.810 -3.920
344 HH2 TRP 47 HH2 TRP 47 -8.497 7.226 -2.813
345 H CYS 48 H CYS 48 -5.598 1.583 -6.667
346 HA CYS 48 HA CYS 48 -7.115 0.036 -8.637
347 1HB CYS 48 1HB CYS 48 -5.316 -0.825 -6.376
348 2HB CYS 48 2HB CYS 48 -6.473 -1.917 -7.111
349 H THR 49 H THR 49 -9.053 -1.149 -7.756
350 HA THR 49 HA THR 49 -10.244 0.292 -5.526
351 HB THR 49 HB THR 49 -10.456 1.960 -7.268
352 HG1 THR 49 HG1 THR 49 -12.498 1.684 -6.323
353 1HG2 THR 49 1HG2 THR 49 -11.117 -0.447 -9.004
354 2HG2 THR 49 2HG2 THR 49 -11.787 1.152 -9.411
355 3HG2 THR 49 3HG2 THR 49 -10.024 0.914 -9.357
356 H HIS 50 H HIS 50 -9.715 -2.540 -5.776
357 HA HIS 50 HA HIS 50 -12.261 -2.715 -4.521
358 1HB HIS 50 1HB HIS 50 -11.660 -4.380 -6.913
359 2HB HIS 50 2HB HIS 50 -12.373 -5.211 -5.544
360 HD1 HIS 50 HD1 HIS 50 -14.542 -3.508 -4.513
361 HD2 HIS 50 HD2 HIS 50 -13.642 -3.617 -8.609
362 HE1 HIS 50 HE1 HIS 50 -16.638 -2.708 -5.726
363 H LEU 51 H LEU 51 -10.650 -2.468 -2.744
364 HA LEU 51 HA LEU 51 -8.734 -4.693 -2.639
365 1HB LEU 51 1HB LEU 51 -8.349 -1.850 -1.692
366 2HB LEU 51 2HB LEU 51 -7.164 -3.140 -1.639
367 HG LEU 51 HG LEU 51 -8.327 -1.912 -4.154
368 1HD1 LEU 51 1HD1 LEU 51 -6.780 -0.456 -2.806
369 2HD1 LEU 51 2HD1 LEU 51 -5.505 -1.666 -3.089
370 3HD1 LEU 51 3HD1 LEU 51 -6.241 -0.810 -4.465
371 1HD2 LEU 51 1HD2 LEU 51 -6.353 -4.155 -3.729
372 2HD2 LEU 51 2HD2 LEU 51 -7.833 -4.137 -4.718
373 3HD2 LEU 51 3HD2 LEU 51 -6.406 -3.207 -5.235
374 H TYR 52 H TYR 52 -8.056 -5.376 -0.454
375 HA TYR 52 HA TYR 52 -10.161 -4.836 1.524
376 1HB TYR 52 1HB TYR 52 -8.578 -6.979 2.391
377 2HB TYR 52 2HB TYR 52 -10.056 -7.172 1.469
378 HD1 TYR 52 HD1 TYR 52 -9.954 -7.529 -1.002
379 HD2 TYR 52 HD2 TYR 52 -6.424 -7.424 1.412
380 HE1 TYR 52 HE1 TYR 52 -8.636 -8.639 -2.870
381 HE2 TYR 52 HE2 TYR 52 -5.117 -8.535 -0.465
382 HH TYR 52 HH TYR 52 -6.556 -9.026 -3.619
383 H GLU 53 H GLU 53 -9.180 -5.219 3.893
384 HA GLU 53 HA GLU 53 -7.667 -3.036 4.427
385 1HB GLU 53 1HB GLU 53 -8.909 -4.083 6.191
386 2HB GLU 53 2HB GLU 53 -8.094 -5.618 5.970
387 1HG GLU 53 1HG GLU 53 -7.265 -4.340 7.974
388 2HG GLU 53 2HG GLU 53 -5.994 -4.720 6.828
389 H GLN 54 H GLN 54 -6.616 -6.333 3.531
390 HA GLN 54 HA GLN 54 -4.016 -5.869 4.632
391 1HB GLN 54 1HB GLN 54 -5.383 -8.232 3.308
392 2HB GLN 54 2HB GLN 54 -3.658 -8.258 3.620
393 1HG GLN 54 1HG GLN 54 -5.763 -7.693 5.761
394 2HG GLN 54 2HG GLN 54 -5.073 -9.276 5.468
395 1HE2 GLN 54 1HE2 GLN 54 -3.283 -6.821 7.991
396 2HE2 GLN 54 2HE2 GLN 54 -4.946 -6.840 7.506
397 H ALA 55 H ALA 55 -5.554 -4.990 1.784
398 HA ALA 55 HA ALA 55 -3.105 -5.187 0.206
399 1HB ALA 55 1HB ALA 55 -5.975 -4.402 -0.405
400 2HB ALA 55 2HB ALA 55 -4.645 -4.178 -1.568
401 3HB ALA 55 3HB ALA 55 -5.069 -5.811 -1.003
402 H ILE 56 H ILE 56 -1.666 -3.482 0.151
403 HA ILE 56 HA ILE 56 -2.480 -1.364 1.991
404 HB ILE 56 HB ILE 56 0.306 -2.260 1.260
405 1HG1 ILE 56 1HG1 ILE 56 -0.878 -4.176 2.163
406 2HG1 ILE 56 2HG1 ILE 56 0.291 -3.582 3.325
407 1HG2 ILE 56 1HG2 ILE 56 -0.839 -0.497 3.429
408 2HG2 ILE 56 2HG2 ILE 56 0.783 -1.224 3.532
409 3HG2 ILE 56 3HG2 ILE 56 0.393 -0.102 2.206
410 1HD1 ILE 56 1HD1 ILE 56 -1.562 -2.295 4.467
411 2HD1 ILE 56 2HD1 ILE 56 -2.715 -3.059 3.349
412 3HD1 ILE 56 3HD1 ILE 56 -1.793 -4.059 4.498
413 H VAL 57 H VAL 57 -1.764 0.853 1.616
414 HA VAL 57 HA VAL 57 -1.342 1.384 -1.238
415 HB VAL 57 HB VAL 57 -3.497 1.936 -1.330
416 1HG1 VAL 57 1HG1 VAL 57 -3.510 2.183 1.697
417 2HG1 VAL 57 2HG1 VAL 57 -4.943 2.356 0.654
418 3HG1 VAL 57 3HG1 VAL 57 -4.078 0.801 0.729
419 1HG2 VAL 57 1HG2 VAL 57 -2.547 4.269 0.368
420 2HG2 VAL 57 2HG2 VAL 57 -2.463 4.137 -1.405
421 3HG2 VAL 57 3HG2 VAL 57 -4.045 4.238 -0.594
422 H TRP 58 H TRP 58 -0.445 3.575 -1.654
423 HA TRP 58 HA TRP 58 1.858 3.828 -0.183
424 1HB TRP 58 1HB TRP 58 1.430 4.623 -2.511
425 2HB TRP 58 2HB TRP 58 0.547 5.984 -1.846
426 HD1 TRP 58 HD1 TRP 58 4.170 4.554 -1.808
427 HE1 TRP 58 HE1 TRP 58 5.930 6.484 -1.437
428 HE3 TRP 58 HE3 TRP 58 0.751 8.240 -1.052
429 HZ2 TRP 58 HZ2 TRP 58 5.701 9.273 -0.880
430 HZ3 TRP 58 HZ3 TRP 58 1.602 10.539 -0.600
431 HH2 TRP 58 HH2 TRP 58 3.984 11.083 -0.508
432 HA PRO 59 HA PRO 59 3.180 4.854 0.569
433 1HB PRO 59 1HB PRO 59 4.669 5.924 2.596
434 2HB PRO 59 2HB PRO 59 4.472 6.702 1.038
435 1HG PRO 59 1HG PRO 59 3.219 7.390 3.626
436 2HG PRO 59 2HG PRO 59 3.376 8.377 2.184
437 1HD PRO 59 1HD PRO 59 1.012 7.030 3.094
438 2HD PRO 59 2HD PRO 59 1.201 7.920 1.596
439 H LEU 60 H LEU 60 4.932 3.554 2.034
440 HA LEU 60 HA LEU 60 3.477 2.612 4.397
441 1HB LEU 60 1HB LEU 60 6.161 1.547 3.816
442 2HB LEU 60 2HB LEU 60 4.710 0.735 4.369
443 HG LEU 60 HG LEU 60 4.037 1.396 1.780
444 1HD1 LEU 60 1HD1 LEU 60 7.000 0.797 1.877
445 2HD1 LEU 60 2HD1 LEU 60 5.998 0.566 0.425
446 3HD1 LEU 60 3HD1 LEU 60 6.179 2.189 1.132
447 1HD2 LEU 60 1HD2 LEU 60 5.259 -1.140 2.893
448 2HD2 LEU 60 2HD2 LEU 60 3.534 -0.718 2.776
449 3HD2 LEU 60 3HD2 LEU 60 4.478 -1.019 1.298
450 HA PRO 61 HA PRO 61 5.356 5.205 6.983
451 1HB PRO 61 1HB PRO 61 5.910 3.811 9.267
452 2HB PRO 61 2HB PRO 61 4.285 4.268 8.792
453 1HG PRO 61 1HG PRO 61 5.577 1.612 8.661
454 2HG PRO 61 2HG PRO 61 3.871 2.007 8.602
455 1HD PRO 61 1HD PRO 61 5.542 1.278 6.387
456 2HD PRO 61 2HD PRO 61 3.866 1.784 6.313
457 H ASN 62 H ASN 62 7.483 2.380 7.167
458 HA ASN 62 HA ASN 62 9.506 4.183 8.134
459 1HB ASN 62 1HB ASN 62 10.767 2.072 8.632
460 2HB ASN 62 2HB ASN 62 9.161 2.044 9.335
461 1HD2 ASN 62 1HD2 ASN 62 10.137 -1.119 7.394
462 2HD2 ASN 62 2HD2 ASN 62 11.009 -0.103 8.493
463 H LYS 63 H LYS 63 8.372 3.249 5.156
464 HA LYS 63 HA LYS 63 10.777 4.004 3.855
465 1HB LYS 63 1HB LYS 63 11.239 1.973 2.636
466 2HB LYS 63 2HB LYS 63 11.344 1.656 4.356
467 1HG LYS 63 1HG LYS 63 8.834 0.920 4.171
468 2HG LYS 63 2HG LYS 63 9.113 0.877 2.441
469 1HD LYS 63 1HD LYS 63 10.943 -0.585 4.387
470 2HD LYS 63 2HD LYS 63 9.480 -1.326 3.771
471 1HE LYS 63 1HE LYS 63 11.531 -0.117 1.876
472 2HE LYS 63 2HE LYS 63 11.723 -1.749 2.486
473 1HZ LYS 63 1HZ LYS 63 9.297 -0.801 1.129
474 2HZ LYS 63 2HZ LYS 63 10.509 -1.601 0.380
475 3HZ LYS 63 3HZ LYS 63 9.643 -2.341 1.550
476 H ARG 64 H ARG 64 10.110 5.246 2.191
477 HA ARG 64 HA ARG 64 7.603 4.456 0.945
478 1HB ARG 64 1HB ARG 64 7.282 7.033 0.595
479 2HB ARG 64 2HB ARG 64 6.933 6.371 2.179
480 1HG ARG 64 1HG ARG 64 9.764 7.250 1.690
481 2HG ARG 64 2HG ARG 64 8.560 8.518 1.799
482 1HD ARG 64 1HD ARG 64 7.847 7.746 4.017
483 2HD ARG 64 2HD ARG 64 8.854 6.317 3.895
484 HE ARG 64 HE ARG 64 10.447 8.711 3.553
485 1HH1 ARG 64 2HH1 ARG 64 8.785 6.838 6.026
486 2HH1 ARG 64 1HH1 ARG 64 9.888 7.282 7.284
487 1HH2 ARG 64 1HH2 ARG 64 11.905 9.295 5.214
488 2HH2 ARG 64 2HH2 ARG 64 11.658 8.713 6.827
489 H CYS 65 H CYS 65 7.474 4.907 -1.374
490 HA CYS 65 HA CYS 65 9.775 5.038 -2.866
491 1HB CYS 65 1HB CYS 65 7.423 4.475 -3.614
492 2HB CYS 65 2HB CYS 65 7.113 6.197 -3.695
493 H SER 66 H SER 66 10.966 6.790 -3.797
494 HA SER 66 HA SER 66 10.998 9.123 -2.255
495 1HB SER 66 1HB SER 66 12.693 9.895 -3.937
496 2HB SER 66 2HB SER 66 13.038 8.304 -3.290
497 HG SER 66 HG SER 66 12.136 9.046 -5.899
498 1HN NH2 67 1H SER 66 9.759 8.254 -5.457
499 2HN NH2 67 2H SER 66 8.843 9.697 -5.745
No H/Q in entry = 499
Start of MODEL 5
1 1H LYS 1 1H LYS 1 -6.423 -1.013 0.127
2 2H LYS 1 2H LYS 1 -6.899 -1.154 1.707
3 3H LYS 1 3H LYS 1 -7.384 -2.279 0.592
4 HA LYS 1 HA LYS 1 -9.131 -1.185 0.092
5 1HB LYS 1 1HB LYS 1 -9.966 0.324 1.637
6 2HB LYS 1 2HB LYS 1 -8.767 -0.545 2.574
7 1HG LYS 1 1HG LYS 1 -7.097 1.284 2.070
8 2HG LYS 1 2HG LYS 1 -8.354 2.164 1.222
9 1HD LYS 1 1HD LYS 1 -9.132 1.287 3.956
10 2HD LYS 1 2HD LYS 1 -7.788 2.411 3.927
11 1HE LYS 1 1HE LYS 1 -9.852 3.702 4.065
12 2HE LYS 1 2HE LYS 1 -9.152 3.963 2.480
13 1HZ LYS 1 1HZ LYS 1 -11.188 1.911 2.976
14 2HZ LYS 1 2HZ LYS 1 -11.563 3.437 2.528
15 3HZ LYS 1 3HZ LYS 1 -10.683 2.486 1.533
16 H GLU 2 H GLU 2 -9.823 1.504 -0.425
17 HA GLU 2 HA GLU 2 -8.718 1.080 -3.017
18 1HB GLU 2 1HB GLU 2 -10.818 3.165 -2.385
19 2HB GLU 2 2HB GLU 2 -10.635 2.197 -3.834
20 1HG GLU 2 1HG GLU 2 -12.271 0.885 -2.928
21 2HG GLU 2 2HG GLU 2 -10.983 0.218 -1.945
22 H GLY 3 H GLY 3 -7.017 2.229 -3.846
23 1HA GLY 3 1HA GLY 3 -6.532 4.948 -3.564
24 2HA GLY 3 2HA GLY 3 -5.774 4.163 -2.193
25 H TYR 4 H TYR 4 -3.872 5.241 -3.537
26 HA TYR 4 HA TYR 4 -3.106 3.885 -5.921
27 1HB TYR 4 1HB TYR 4 -1.720 5.720 -3.869
28 2HB TYR 4 2HB TYR 4 -0.982 5.282 -5.396
29 HD1 TYR 4 HD1 TYR 4 -2.244 5.928 -7.563
30 HD2 TYR 4 HD2 TYR 4 -3.146 7.586 -3.723
31 HE1 TYR 4 HE1 TYR 4 -3.395 7.902 -8.677
32 HE2 TYR 4 HE2 TYR 4 -4.295 9.554 -4.851
33 HH TYR 4 HH TYR 4 -4.327 9.837 -8.389
34 H LEU 5 H LEU 5 -2.812 1.665 -5.605
35 HA LEU 5 HA LEU 5 -1.778 0.437 -3.410
36 1HB LEU 5 1HB LEU 5 -1.708 -1.448 -4.673
37 2HB LEU 5 2HB LEU 5 -2.801 -0.460 -5.620
38 HG LEU 5 HG LEU 5 0.158 -0.638 -6.222
39 1HD1 LEU 5 1HD1 LEU 5 -0.876 -2.897 -6.271
40 2HD1 LEU 5 2HD1 LEU 5 -2.036 -2.304 -7.484
41 3HD1 LEU 5 3HD1 LEU 5 -0.297 -2.342 -7.860
42 1HD2 LEU 5 1HD2 LEU 5 -2.229 0.276 -7.851
43 2HD2 LEU 5 2HD2 LEU 5 -0.921 1.289 -7.194
44 3HD2 LEU 5 3HD2 LEU 5 -0.569 0.102 -8.473
45 H VAL 6 H VAL 6 0.261 -0.091 -2.600
46 HA VAL 6 HA VAL 6 2.416 1.508 -3.789
47 HB VAL 6 HB VAL 6 1.570 2.045 -1.480
48 1HG1 VAL 6 1HG1 VAL 6 1.169 -0.266 -0.724
49 2HG1 VAL 6 2HG1 VAL 6 2.922 -0.579 -0.766
50 3HG1 VAL 6 3HG1 VAL 6 2.257 0.612 0.378
51 1HG2 VAL 6 1HG2 VAL 6 3.866 2.606 -2.398
52 2HG2 VAL 6 2HG2 VAL 6 3.740 2.537 -0.623
53 3HG2 VAL 6 3HG2 VAL 6 4.476 1.185 -1.517
54 H ASP 7 H ASP 7 4.587 0.552 -3.854
55 HA ASP 7 HA ASP 7 4.180 -2.069 -4.900
56 1HB ASP 7 1HB ASP 7 5.466 -0.484 -6.223
57 2HB ASP 7 2HB ASP 7 6.533 -0.132 -4.877
58 H LYS 8 H LYS 8 5.102 -4.001 -4.039
59 HA LYS 8 HA LYS 8 5.712 -3.844 -1.264
60 1HB LYS 8 1HB LYS 8 5.127 -5.954 -3.266
61 2HB LYS 8 2HB LYS 8 6.134 -6.446 -1.921
62 1HG LYS 8 1HG LYS 8 3.891 -6.824 -1.182
63 2HG LYS 8 2HG LYS 8 4.394 -5.357 -0.366
64 1HD LYS 8 1HD LYS 8 3.201 -3.960 -1.983
65 2HD LYS 8 2HD LYS 8 2.860 -5.343 -3.004
66 1HE LYS 8 1HE LYS 8 1.916 -5.353 -0.123
67 2HE LYS 8 2HE LYS 8 1.011 -4.450 -1.322
68 1HZ LYS 8 1HZ LYS 8 1.739 -7.268 -1.691
69 2HZ LYS 8 2HZ LYS 8 0.332 -6.798 -1.008
70 3HZ LYS 8 3HZ LYS 8 0.662 -6.398 -2.557
71 H ASN 9 H ASN 9 7.544 -3.948 -4.268
72 HA ASN 9 HA ASN 9 9.925 -4.855 -3.058
73 1HB ASN 9 1HB ASN 9 9.086 -3.725 -5.711
74 2HB ASN 9 2HB ASN 9 10.774 -3.502 -5.299
75 1HD2 ASN 9 1HD2 ASN 9 11.224 -6.604 -6.884
76 2HD2 ASN 9 2HD2 ASN 9 11.280 -4.881 -7.048
77 H THR 10 H THR 10 9.348 -1.679 -4.769
78 HA THR 10 HA THR 10 11.505 -0.623 -3.104
79 HB THR 10 HB THR 10 11.737 0.983 -4.983
80 HG1 THR 10 HG1 THR 10 10.115 0.597 -6.757
81 1HG2 THR 10 1HG2 THR 10 12.451 -1.584 -5.245
82 2HG2 THR 10 2HG2 THR 10 11.097 -1.617 -6.400
83 3HG2 THR 10 3HG2 THR 10 12.463 -0.506 -6.662
84 H GLY 11 H GLY 11 8.118 -0.636 -3.148
85 1HA GLY 11 1HA GLY 11 6.630 0.674 -2.022
86 2HA GLY 11 2HA GLY 11 7.916 1.776 -1.571
87 H CYS 12 H CYS 12 8.331 1.257 -4.860
88 HA CYS 12 HA CYS 12 6.919 3.757 -5.396
89 1HB CYS 12 1HB CYS 12 9.558 2.862 -5.960
90 2HB CYS 12 2HB CYS 12 8.726 3.018 -7.494
91 H LYS 13 H LYS 13 8.012 0.878 -7.412
92 HA LYS 13 HA LYS 13 7.390 1.022 -9.642
93 1HB LYS 13 1HB LYS 13 6.728 -1.102 -8.422
94 2HB LYS 13 2HB LYS 13 5.096 -0.469 -8.348
95 1HG LYS 13 1HG LYS 13 4.824 -0.517 -10.710
96 2HG LYS 13 2HG LYS 13 6.551 -0.552 -11.007
97 1HD LYS 13 1HD LYS 13 6.715 -2.854 -10.176
98 2HD LYS 13 2HD LYS 13 5.047 -2.830 -9.640
99 1HE LYS 13 1HE LYS 13 4.277 -2.561 -11.998
100 2HE LYS 13 2HE LYS 13 5.940 -2.537 -12.550
101 1HZ LYS 13 1HZ LYS 13 5.175 -4.784 -10.914
102 2HZ LYS 13 2HZ LYS 13 4.524 -4.730 -12.411
103 3HZ LYS 13 3HZ LYS 13 6.146 -4.732 -12.227
104 H TYR 14 H TYR 14 3.934 1.300 -8.264
105 HA TYR 14 HA TYR 14 2.630 1.006 -10.149
106 1HB TYR 14 1HB TYR 14 2.820 3.919 -10.622
107 2HB TYR 14 2HB TYR 14 1.498 3.030 -9.891
108 HD1 TYR 14 HD1 TYR 14 1.590 2.502 -7.411
109 HD2 TYR 14 HD2 TYR 14 4.343 5.181 -9.295
110 HE1 TYR 14 HE1 TYR 14 2.188 3.490 -5.147
111 HE2 TYR 14 HE2 TYR 14 4.931 6.161 -7.024
112 HH TYR 14 HH TYR 14 4.674 6.013 -4.881
113 H GLU 15 H GLU 15 4.772 3.812 -11.065
114 HA GLU 15 HA GLU 15 5.145 4.566 -13.091
115 1HB GLU 15 1HB GLU 15 7.096 3.114 -12.725
116 2HB GLU 15 2HB GLU 15 6.233 1.730 -13.368
117 1HG GLU 15 1HG GLU 15 7.808 2.819 -15.025
118 2HG GLU 15 2HG GLU 15 6.156 2.691 -15.593
119 H CYS 16 H CYS 16 2.748 4.733 -13.653
120 HA CYS 16 HA CYS 16 2.833 3.509 -16.304
121 1HB CYS 16 1HB CYS 16 0.372 3.654 -16.437
122 2HB CYS 16 2HB CYS 16 0.952 2.478 -15.273
123 H LEU 17 H LEU 17 4.211 5.467 -16.706
124 HA LEU 17 HA LEU 17 3.321 8.057 -16.546
125 1HB LEU 17 1HB LEU 17 4.818 8.521 -18.368
126 2HB LEU 17 2HB LEU 17 5.551 7.399 -17.238
127 HG LEU 17 HG LEU 17 4.477 5.656 -19.042
128 1HD1 LEU 17 1HD1 LEU 17 3.687 7.442 -20.511
129 2HD1 LEU 17 2HD1 LEU 17 5.343 8.081 -20.640
130 3HD1 LEU 17 3HD1 LEU 17 4.956 6.472 -21.297
131 1HD2 LEU 17 1HD2 LEU 17 7.209 6.964 -19.125
132 2HD2 LEU 17 2HD2 LEU 17 6.729 5.544 -18.164
133 3HD2 LEU 17 3HD2 LEU 17 6.768 5.445 -19.941
134 H LYS 18 H LYS 18 2.176 9.460 -18.022
135 HA LYS 18 HA LYS 18 0.364 9.970 -19.172
136 1HB LYS 18 1HB LYS 18 1.723 8.897 -21.006
137 2HB LYS 18 2HB LYS 18 0.814 7.421 -20.748
138 1HG LYS 18 1HG LYS 18 -1.285 9.099 -20.966
139 2HG LYS 18 2HG LYS 18 -0.125 10.062 -21.860
140 1HD LYS 18 1HD LYS 18 -1.133 8.703 -23.527
141 2HD LYS 18 2HD LYS 18 0.397 7.908 -23.211
142 1HE LYS 18 1HE LYS 18 -1.410 6.235 -23.277
143 2HE LYS 18 2HE LYS 18 -0.738 6.314 -21.660
144 1HZ LYS 18 1HZ LYS 18 -3.031 7.978 -22.341
145 2HZ LYS 18 2HZ LYS 18 -3.257 6.402 -21.981
146 3HZ LYS 18 3HZ LYS 18 -2.577 7.401 -20.882
147 H LEU 19 H LEU 19 -1.138 9.884 -17.492
148 HA LEU 19 HA LEU 19 -2.332 7.612 -16.494
149 1HB LEU 19 1HB LEU 19 -4.020 9.036 -15.667
150 2HB LEU 19 2HB LEU 19 -2.507 9.919 -15.609
151 HG LEU 19 HG LEU 19 -4.201 10.324 -18.026
152 1HD1 LEU 19 1HD1 LEU 19 -4.939 11.470 -15.319
153 2HD1 LEU 19 2HD1 LEU 19 -5.624 11.972 -16.884
154 3HD1 LEU 19 3HD1 LEU 19 -5.895 10.319 -16.283
155 1HD2 LEU 19 1HD2 LEU 19 -2.345 11.975 -16.324
156 2HD2 LEU 19 2HD2 LEU 19 -2.234 11.570 -18.054
157 3HD2 LEU 19 3HD2 LEU 19 -3.457 12.734 -17.491
158 H GLY 20 H GLY 20 -4.578 6.783 -16.907
159 1HA GLY 20 1HA GLY 20 -6.423 6.673 -18.436
160 2HA GLY 20 2HA GLY 20 -5.323 7.016 -19.757
161 H ASP 21 H ASP 21 -3.127 5.255 -18.886
162 HA ASP 21 HA ASP 21 -4.341 3.011 -20.214
163 1HB ASP 21 1HB ASP 21 -1.480 3.938 -19.755
164 2HB ASP 21 2HB ASP 21 -1.814 2.342 -20.398
165 H ASN 22 H ASN 22 -5.178 1.520 -18.702
166 HA ASN 22 HA ASN 22 -3.187 0.511 -16.835
167 1HB ASN 22 1HB ASN 22 -5.463 -0.163 -15.518
168 2HB ASN 22 2HB ASN 22 -4.641 1.358 -15.228
169 1HD2 ASN 22 1HD2 ASN 22 -8.249 1.152 -17.205
170 2HD2 ASN 22 2HD2 ASN 22 -7.222 -0.229 -17.016
171 H ASP 23 H ASP 23 -2.800 -1.150 -18.672
172 HA ASP 23 HA ASP 23 -4.707 -3.269 -18.116
173 1HB ASP 23 1HB ASP 23 -3.925 -3.252 -20.415
174 2HB ASP 23 2HB ASP 23 -2.255 -3.081 -19.914
175 H TYR 24 H TYR 24 -1.200 -2.326 -17.859
176 HA TYR 24 HA TYR 24 -0.441 -4.713 -16.558
177 1HB TYR 24 1HB TYR 24 0.763 -1.877 -16.688
178 2HB TYR 24 2HB TYR 24 1.667 -3.304 -16.223
179 HD1 TYR 24 HD1 TYR 24 1.598 -5.284 -18.031
180 HD2 TYR 24 HD2 TYR 24 0.920 -1.148 -18.888
181 HE1 TYR 24 HE1 TYR 24 2.213 -5.680 -20.466
182 HE2 TYR 24 HE2 TYR 24 1.537 -1.558 -21.320
183 HH TYR 24 HH TYR 24 2.057 -3.023 -22.820
184 H CYS 25 H CYS 25 -1.848 -1.679 -15.454
185 HA CYS 25 HA CYS 25 -0.875 -1.968 -12.782
186 1HB CYS 25 1HB CYS 25 -2.657 -0.060 -14.230
187 2HB CYS 25 2HB CYS 25 -2.798 -0.159 -12.486
188 H LEU 26 H LEU 26 -3.972 -2.466 -14.611
189 HA LEU 26 HA LEU 26 -5.484 -3.601 -12.622
190 1HB LEU 26 1HB LEU 26 -5.687 -3.219 -15.320
191 2HB LEU 26 2HB LEU 26 -5.571 -4.965 -15.226
192 HG LEU 26 HG LEU 26 -7.569 -3.361 -13.617
193 1HD1 LEU 26 1HD1 LEU 26 -7.952 -4.667 -16.325
194 2HD1 LEU 26 2HD1 LEU 26 -9.247 -3.995 -15.305
195 3HD1 LEU 26 3HD1 LEU 26 -7.989 -2.924 -15.967
196 1HD2 LEU 26 1HD2 LEU 26 -7.088 -5.578 -12.726
197 2HD2 LEU 26 2HD2 LEU 26 -8.733 -5.509 -13.402
198 3HD2 LEU 26 3HD2 LEU 26 -7.430 -6.308 -14.313
199 H ARG 27 H ARG 27 -2.888 -5.086 -14.652
200 HA ARG 27 HA ARG 27 -3.273 -7.634 -13.616
201 1HB ARG 27 1HB ARG 27 -0.963 -6.250 -15.036
202 2HB ARG 27 2HB ARG 27 -0.789 -7.900 -14.471
203 1HG ARG 27 1HG ARG 27 -3.148 -7.053 -16.200
204 2HG ARG 27 2HG ARG 27 -1.622 -7.541 -16.911
205 1HD ARG 27 1HD ARG 27 -3.416 -9.228 -15.105
206 2HD ARG 27 2HD ARG 27 -3.090 -9.496 -16.806
207 HE ARG 27 HE ARG 27 -1.415 -10.314 -14.598
208 1HH1 ARG 27 2HH1 ARG 27 -1.397 -9.444 -18.002
209 2HH1 ARG 27 1HH1 ARG 27 0.225 -9.989 -18.269
210 1HH2 ARG 27 1HH2 ARG 27 0.716 -11.079 -14.954
211 2HH2 ARG 27 2HH2 ARG 27 1.403 -11.003 -16.543
212 H GLU 28 H GLU 28 -1.153 -4.867 -12.701
213 HA GLU 28 HA GLU 28 0.466 -6.214 -10.936
214 1HB GLU 28 1HB GLU 28 0.604 -3.785 -11.864
215 2HB GLU 28 2HB GLU 28 -0.436 -3.342 -10.525
216 1HG GLU 28 1HG GLU 28 1.756 -3.003 -9.674
217 2HG GLU 28 2HG GLU 28 1.279 -4.545 -8.992
218 H CYS 29 H CYS 29 -2.575 -4.328 -10.286
219 HA CYS 29 HA CYS 29 -2.668 -4.759 -7.580
220 1HB CYS 29 1HB CYS 29 -4.202 -3.431 -9.360
221 2HB CYS 29 2HB CYS 29 -5.252 -4.797 -9.036
222 H LYS 30 H LYS 30 -3.630 -6.820 -10.358
223 HA LYS 30 HA LYS 30 -5.163 -8.637 -8.854
224 1HB LYS 30 1HB LYS 30 -5.029 -8.137 -11.436
225 2HB LYS 30 2HB LYS 30 -3.797 -9.383 -11.424
226 1HG LYS 30 1HG LYS 30 -5.305 -11.056 -10.663
227 2HG LYS 30 2HG LYS 30 -6.447 -9.884 -10.036
228 1HD LYS 30 1HD LYS 30 -6.945 -9.142 -12.391
229 2HD LYS 30 2HD LYS 30 -5.841 -10.362 -12.993
230 1HE LYS 30 1HE LYS 30 -7.223 -12.160 -12.002
231 2HE LYS 30 2HE LYS 30 -8.285 -10.978 -11.264
232 1HZ LYS 30 1HZ LYS 30 -7.867 -11.300 -14.155
233 2HZ LYS 30 2HZ LYS 30 -9.179 -11.803 -13.321
234 3HZ LYS 30 3HZ LYS 30 -8.864 -10.208 -13.462
235 H GLN 31 H GLN 31 -1.714 -8.592 -9.936
236 HA GLN 31 HA GLN 31 -1.355 -11.012 -8.358
237 1HB GLN 31 1HB GLN 31 0.415 -9.866 -10.564
238 2HB GLN 31 2HB GLN 31 0.683 -11.384 -9.729
239 1HG GLN 31 1HG GLN 31 -1.479 -12.265 -10.581
240 2HG GLN 31 2HG GLN 31 -1.816 -10.734 -11.363
241 1HE2 GLN 31 1HE2 GLN 31 1.058 -13.325 -12.842
242 2HE2 GLN 31 2HE2 GLN 31 0.544 -13.370 -11.190
243 H GLN 32 H GLN 32 -1.578 -8.574 -6.937
244 HA GLN 32 HA GLN 32 0.778 -9.011 -5.462
245 1HB GLN 32 1HB GLN 32 1.870 -6.947 -5.581
246 2HB GLN 32 2HB GLN 32 1.366 -7.172 -7.245
247 1HG GLN 32 1HG GLN 32 0.424 -5.102 -7.045
248 2HG GLN 32 2HG GLN 32 -0.865 -5.928 -6.191
249 1HE2 GLN 32 1HE2 GLN 32 1.631 -3.313 -4.336
250 2HE2 GLN 32 2HE2 GLN 32 1.776 -3.761 -6.002
251 H TYR 33 H TYR 33 -2.307 -7.245 -6.029
252 HA TYR 33 HA TYR 33 -2.850 -8.135 -3.279
253 1HB TYR 33 1HB TYR 33 -3.664 -5.690 -4.925
254 2HB TYR 33 2HB TYR 33 -4.776 -6.279 -3.705
255 HD1 TYR 33 HD1 TYR 33 -3.056 -7.032 -1.471
256 HD2 TYR 33 HD2 TYR 33 -2.728 -3.709 -4.145
257 HE1 TYR 33 HE1 TYR 33 -1.795 -5.719 0.303
258 HE2 TYR 33 HE2 TYR 33 -1.468 -2.407 -2.362
259 HH TYR 33 HH TYR 33 -0.755 -2.379 -0.325
260 H GLY 34 H GLY 34 -3.085 -10.120 -5.153
261 1HA GLY 34 1HA GLY 34 -4.591 -11.766 -4.667
262 2HA GLY 34 2HA GLY 34 -5.768 -10.568 -4.166
263 H LYS 35 H LYS 35 -5.747 -12.991 -6.149
264 HA LYS 35 HA LYS 35 -6.075 -11.759 -8.710
265 1HB LYS 35 1HB LYS 35 -6.452 -14.589 -7.700
266 2HB LYS 35 2HB LYS 35 -6.722 -14.117 -9.365
267 1HG LYS 35 1HG LYS 35 -4.417 -13.456 -9.662
268 2HG LYS 35 2HG LYS 35 -4.103 -13.501 -7.939
269 1HD LYS 35 1HD LYS 35 -3.150 -15.515 -8.888
270 2HD LYS 35 2HD LYS 35 -4.563 -15.996 -7.969
271 1HE LYS 35 1HE LYS 35 -5.914 -16.178 -10.002
272 2HE LYS 35 2HE LYS 35 -4.644 -15.463 -10.974
273 1HZ LYS 35 1HZ LYS 35 -4.403 -18.005 -9.520
274 2HZ LYS 35 2HZ LYS 35 -4.674 -17.862 -11.123
275 3HZ LYS 35 3HZ LYS 35 -3.262 -17.348 -10.486
276 H GLY 36 H GLY 36 -7.770 -10.218 -7.439
277 1HA GLY 36 1HA GLY 36 -9.902 -10.721 -9.225
278 2HA GLY 36 2HA GLY 36 -10.453 -10.946 -7.577
279 H ALA 37 H ALA 37 -7.889 -8.660 -8.701
280 HA ALA 37 HA ALA 37 -9.452 -6.575 -7.349
281 1HB ALA 37 1HB ALA 37 -7.292 -7.210 -6.306
282 2HB ALA 37 2HB ALA 37 -6.453 -6.814 -7.826
283 3HB ALA 37 3HB ALA 37 -7.272 -5.532 -6.902
284 H GLY 38 H GLY 38 -8.485 -4.266 -8.241
285 1HA GLY 38 1HA GLY 38 -8.015 -4.177 -11.055
286 2HA GLY 38 2HA GLY 38 -9.696 -3.852 -10.676
287 H GLY 39 H GLY 39 -8.753 -1.701 -11.763
288 1HA GLY 39 1HA GLY 39 -8.320 0.364 -9.967
289 2HA GLY 39 2HA GLY 39 -6.739 -0.287 -10.349
290 H TYR 40 H TYR 40 -6.829 2.186 -11.196
291 HA TYR 40 HA TYR 40 -6.492 1.647 -13.999
292 1HB TYR 40 1HB TYR 40 -7.730 4.036 -14.288
293 2HB TYR 40 2HB TYR 40 -8.674 2.561 -14.275
294 HD1 TYR 40 HD1 TYR 40 -7.488 5.343 -12.092
295 HD2 TYR 40 HD2 TYR 40 -10.339 2.200 -12.634
296 HE1 TYR 40 HE1 TYR 40 -8.833 6.213 -10.119
297 HE2 TYR 40 HE2 TYR 40 -11.675 3.080 -10.658
298 HH TYR 40 HH TYR 40 -10.522 5.888 -8.811
299 H CYS 41 H CYS 41 -5.419 3.639 -15.090
300 HA CYS 41 HA CYS 41 -3.348 4.432 -13.239
301 1HB CYS 41 1HB CYS 41 -2.762 3.435 -15.408
302 2HB CYS 41 2HB CYS 41 -3.548 4.762 -16.239
303 H TYR 42 H TYR 42 -4.081 6.201 -11.996
304 HA TYR 42 HA TYR 42 -5.160 8.511 -13.336
305 1HB TYR 42 1HB TYR 42 -4.740 7.406 -10.678
306 2HB TYR 42 2HB TYR 42 -3.893 8.939 -10.723
307 HD1 TYR 42 HD1 TYR 42 -5.703 10.519 -12.516
308 HD2 TYR 42 HD2 TYR 42 -6.594 7.838 -9.302
309 HE1 TYR 42 HE1 TYR 42 -7.896 11.736 -12.098
310 HE2 TYR 42 HE2 TYR 42 -8.783 9.063 -8.897
311 HH TYR 42 HH TYR 42 -10.077 10.679 -9.494
312 H ALA 43 H ALA 43 -3.639 10.528 -11.940
313 HA ALA 43 HA ALA 43 -1.789 11.097 -13.893
314 1HB ALA 43 1HB ALA 43 -1.959 12.047 -11.005
315 2HB ALA 43 2HB ALA 43 -1.004 12.834 -12.283
316 3HB ALA 43 3HB ALA 43 -2.777 12.770 -12.410
317 H PHE 44 H PHE 44 -0.561 9.104 -14.244
318 HA PHE 44 HA PHE 44 1.423 8.144 -14.214
319 1HB PHE 44 1HB PHE 44 2.279 10.218 -12.132
320 2HB PHE 44 2HB PHE 44 3.267 9.517 -13.398
321 HD1 PHE 44 HD1 PHE 44 1.748 9.899 -15.816
322 HD2 PHE 44 HD2 PHE 44 2.135 12.492 -12.480
323 HE1 PHE 44 HE1 PHE 44 1.257 11.869 -17.291
324 HE2 PHE 44 HE2 PHE 44 1.645 14.463 -13.954
325 HZ PHE 44 HZ PHE 44 1.212 14.128 -16.343
326 H ALA 45 H ALA 45 -0.679 7.637 -11.981
327 HA ALA 45 HA ALA 45 0.758 5.411 -11.111
328 1HB ALA 45 1HB ALA 45 0.567 7.732 -9.190
329 2HB ALA 45 2HB ALA 45 0.524 6.061 -8.579
330 3HB ALA 45 3HB ALA 45 1.934 6.635 -9.502
331 H CYS 46 H CYS 46 -0.744 4.111 -9.424
332 HA CYS 46 HA CYS 46 -3.123 4.324 -11.116
333 1HB CYS 46 1HB CYS 46 -1.531 1.893 -10.284
334 2HB CYS 46 2HB CYS 46 -3.077 1.820 -11.106
335 H TRP 47 H TRP 47 -4.988 4.605 -9.944
336 HA TRP 47 HA TRP 47 -4.995 3.963 -7.129
337 1HB TRP 47 1HB TRP 47 -5.993 6.031 -7.794
338 2HB TRP 47 2HB TRP 47 -7.010 5.237 -8.980
339 HD1 TRP 47 HD1 TRP 47 -8.760 3.254 -7.653
340 HE1 TRP 47 HE1 TRP 47 -10.298 3.601 -5.536
341 HE3 TRP 47 HE3 TRP 47 -6.254 7.290 -5.842
342 HZ2 TRP 47 HZ2 TRP 47 -10.292 5.482 -3.390
343 HZ3 TRP 47 HZ3 TRP 47 -7.086 8.323 -3.730
344 HH2 TRP 47 HH2 TRP 47 -9.032 7.482 -2.513
345 H CYS 48 H CYS 48 -5.498 1.938 -6.413
346 HA CYS 48 HA CYS 48 -6.907 0.164 -8.210
347 1HB CYS 48 1HB CYS 48 -5.349 -0.168 -5.678
348 2HB CYS 48 2HB CYS 48 -6.531 -1.388 -6.107
349 H THR 49 H THR 49 -8.920 -0.936 -7.505
350 HA THR 49 HA THR 49 -10.429 0.326 -5.402
351 HB THR 49 HB THR 49 -10.540 2.103 -7.091
352 HG1 THR 49 HG1 THR 49 -12.822 2.041 -7.126
353 1HG2 THR 49 1HG2 THR 49 -10.910 -0.238 -8.936
354 2HG2 THR 49 2HG2 THR 49 -11.944 1.177 -9.250
355 3HG2 THR 49 3HG2 THR 49 -10.172 1.349 -9.259
356 H HIS 50 H HIS 50 -9.582 -2.394 -5.969
357 HA HIS 50 HA HIS 50 -12.252 -3.252 -5.333
358 1HB HIS 50 1HB HIS 50 -10.659 -4.459 -7.589
359 2HB HIS 50 2HB HIS 50 -11.794 -5.431 -6.674
360 HD1 HIS 50 HD1 HIS 50 -14.360 -4.327 -6.583
361 HD2 HIS 50 HD2 HIS 50 -11.801 -3.117 -9.679
362 HE1 HIS 50 HE1 HIS 50 -15.853 -3.326 -8.395
363 H LEU 51 H LEU 51 -11.059 -2.974 -3.210
364 HA LEU 51 HA LEU 51 -8.981 -5.020 -2.860
365 1HB LEU 51 1HB LEU 51 -8.892 -2.106 -2.073
366 2HB LEU 51 2HB LEU 51 -7.769 -3.315 -1.485
367 HG LEU 51 HG LEU 51 -8.147 -2.648 -4.416
368 1HD1 LEU 51 1HD1 LEU 51 -6.369 -1.445 -2.325
369 2HD1 LEU 51 2HD1 LEU 51 -5.778 -1.603 -3.996
370 3HD1 LEU 51 3HD1 LEU 51 -7.256 -0.669 -3.659
371 1HD2 LEU 51 1HD2 LEU 51 -6.253 -4.434 -2.906
372 2HD2 LEU 51 2HD2 LEU 51 -7.243 -4.791 -4.342
373 3HD2 LEU 51 3HD2 LEU 51 -5.811 -3.744 -4.486
374 H TYR 52 H TYR 52 -8.490 -5.306 -0.396
375 HA TYR 52 HA TYR 52 -10.990 -4.983 1.112
376 1HB TYR 52 1HB TYR 52 -9.204 -6.554 2.584
377 2HB TYR 52 2HB TYR 52 -10.397 -7.216 1.485
378 HD1 TYR 52 HD1 TYR 52 -9.745 -7.982 -0.771
379 HD2 TYR 52 HD2 TYR 52 -6.842 -6.505 2.004
380 HE1 TYR 52 HE1 TYR 52 -7.881 -8.998 -2.169
381 HE2 TYR 52 HE2 TYR 52 -4.988 -7.525 0.596
382 HH TYR 52 HH TYR 52 -4.538 -8.927 -1.042
383 H GLU 53 H GLU 53 -10.403 -4.792 3.639
384 HA GLU 53 HA GLU 53 -9.591 -2.170 3.806
385 1HB GLU 53 1HB GLU 53 -9.712 -2.528 6.283
386 2HB GLU 53 2HB GLU 53 -11.116 -3.144 5.433
387 1HG GLU 53 1HG GLU 53 -8.895 -5.111 5.737
388 2HG GLU 53 2HG GLU 53 -9.622 -4.596 7.246
389 H GLN 54 H GLN 54 -7.743 -5.144 3.818
390 HA GLN 54 HA GLN 54 -5.451 -3.668 4.858
391 1HB GLN 54 1HB GLN 54 -6.332 -6.532 5.128
392 2HB GLN 54 2HB GLN 54 -4.609 -6.215 5.086
393 1HG GLN 54 1HG GLN 54 -4.760 -4.703 6.998
394 2HG GLN 54 2HG GLN 54 -6.511 -4.733 6.954
395 1HE2 GLN 54 1HE2 GLN 54 -6.929 -7.890 8.477
396 2HE2 GLN 54 2HE2 GLN 54 -7.621 -6.704 7.421
397 H ALA 55 H ALA 55 -6.323 -3.413 2.077
398 HA ALA 55 HA ALA 55 -3.771 -4.379 0.991
399 1HB ALA 55 1HB ALA 55 -6.261 -4.360 -0.162
400 2HB ALA 55 2HB ALA 55 -5.601 -2.809 -0.732
401 3HB ALA 55 3HB ALA 55 -4.730 -4.323 -1.069
402 H ILE 56 H ILE 56 -2.081 -3.022 1.376
403 HA ILE 56 HA ILE 56 -2.712 -0.485 2.534
404 HB ILE 56 HB ILE 56 -0.055 -1.806 1.973
405 1HG1 ILE 56 1HG1 ILE 56 -1.323 -3.252 3.389
406 2HG1 ILE 56 2HG1 ILE 56 -0.147 -2.421 4.387
407 1HG2 ILE 56 1HG2 ILE 56 -0.832 0.628 3.582
408 2HG2 ILE 56 2HG2 ILE 56 0.676 -0.272 3.872
409 3HG2 ILE 56 3HG2 ILE 56 0.382 0.485 2.288
410 1HD1 ILE 56 1HD1 ILE 56 -2.011 -0.692 4.887
411 2HD1 ILE 56 2HD1 ILE 56 -3.130 -1.877 4.171
412 3HD1 ILE 56 3HD1 ILE 56 -2.188 -2.305 5.619
413 H VAL 57 H VAL 57 -2.155 1.592 1.759
414 HA VAL 57 HA VAL 57 -1.501 1.627 -1.105
415 HB VAL 57 HB VAL 57 -3.610 2.275 -1.391
416 1HG1 VAL 57 1HG1 VAL 57 -3.742 3.011 1.552
417 2HG1 VAL 57 2HG1 VAL 57 -5.116 3.058 0.422
418 3HG1 VAL 57 3HG1 VAL 57 -4.326 1.508 0.799
419 1HG2 VAL 57 1HG2 VAL 57 -2.601 4.794 -0.026
420 2HG2 VAL 57 2HG2 VAL 57 -2.442 4.382 -1.751
421 3HG2 VAL 57 3HG2 VAL 57 -4.051 4.688 -1.054
422 H TRP 58 H TRP 58 -0.453 3.667 -1.830
423 HA TRP 58 HA TRP 58 1.838 3.935 -0.368
424 1HB TRP 58 1HB TRP 58 1.657 4.446 -2.736
425 2HB TRP 58 2HB TRP 58 0.646 5.836 -2.394
426 HD1 TRP 58 HD1 TRP 58 4.321 4.737 -2.283
427 HE1 TRP 58 HE1 TRP 58 5.934 6.794 -1.920
428 HE3 TRP 58 HE3 TRP 58 0.649 8.119 -1.315
429 HZ2 TRP 58 HZ2 TRP 58 5.504 9.542 -1.283
430 HZ3 TRP 58 HZ3 TRP 58 1.331 10.467 -0.832
431 HH2 TRP 58 HH2 TRP 58 3.663 11.198 -0.806
432 HA PRO 59 HA PRO 59 3.258 5.031 0.132
433 1HB PRO 59 1HB PRO 59 4.799 5.774 2.262
434 2HB PRO 59 2HB PRO 59 4.664 6.729 0.799
435 1HG PRO 59 1HG PRO 59 3.442 7.213 3.447
436 2HG PRO 59 2HG PRO 59 3.673 8.337 2.122
437 1HD PRO 59 1HD PRO 59 1.219 7.058 2.879
438 2HD PRO 59 2HD PRO 59 1.477 8.091 1.488
439 H LEU 60 H LEU 60 4.776 3.330 1.157
440 HA LEU 60 HA LEU 60 3.449 1.696 3.034
441 1HB LEU 60 1HB LEU 60 6.365 1.982 2.303
442 2HB LEU 60 2HB LEU 60 5.729 0.742 3.366
443 HG LEU 60 HG LEU 60 4.642 1.047 0.575
444 1HD1 LEU 60 1HD1 LEU 60 7.159 -0.455 1.344
445 2HD1 LEU 60 2HD1 LEU 60 6.309 -0.593 -0.213
446 3HD1 LEU 60 3HD1 LEU 60 7.042 0.957 0.265
447 1HD2 LEU 60 1HD2 LEU 60 4.876 -1.288 2.494
448 2HD2 LEU 60 2HD2 LEU 60 3.397 -0.400 2.053
449 3HD2 LEU 60 3HD2 LEU 60 4.240 -1.385 0.833
450 HA PRO 61 HA PRO 61 5.214 3.643 6.710
451 1HB PRO 61 1HB PRO 61 5.656 1.462 8.295
452 2HB PRO 61 2HB PRO 61 4.136 2.333 8.266
453 1HG PRO 61 1HG PRO 61 4.793 -0.289 7.069
454 2HG PRO 61 2HG PRO 61 3.218 0.393 7.421
455 1HD PRO 61 1HD PRO 61 4.473 0.209 4.848
456 2HD PRO 61 2HD PRO 61 2.951 0.995 5.217
457 H ASN 62 H ASN 62 6.828 0.563 5.720
458 HA ASN 62 HA ASN 62 8.776 1.610 7.584
459 1HB ASN 62 1HB ASN 62 9.445 -0.810 7.819
460 2HB ASN 62 2HB ASN 62 7.749 -0.550 8.179
461 1HD2 ASN 62 1HD2 ASN 62 8.451 -3.478 5.813
462 2HD2 ASN 62 2HD2 ASN 62 9.222 -2.927 7.263
463 H LYS 63 H LYS 63 8.320 1.467 4.283
464 HA LYS 63 HA LYS 63 10.960 2.187 3.770
465 1HB LYS 63 1HB LYS 63 11.563 0.252 2.249
466 2HB LYS 63 2HB LYS 63 11.678 -0.047 3.971
467 1HG LYS 63 1HG LYS 63 9.619 -1.298 4.005
468 2HG LYS 63 2HG LYS 63 9.150 -0.723 2.417
469 1HD LYS 63 1HD LYS 63 11.393 -1.892 1.620
470 2HD LYS 63 2HD LYS 63 11.273 -2.764 3.135
471 1HE LYS 63 1HE LYS 63 10.084 -4.182 1.687
472 2HE LYS 63 2HE LYS 63 8.785 -3.242 2.394
473 1HZ LYS 63 1HZ LYS 63 8.938 -1.764 0.473
474 2HZ LYS 63 2HZ LYS 63 10.071 -2.730 -0.196
475 3HZ LYS 63 3HZ LYS 63 8.557 -3.292 0.044
476 H ARG 64 H ARG 64 9.106 3.781 3.201
477 HA ARG 64 HA ARG 64 7.726 3.169 0.809
478 1HB ARG 64 1HB ARG 64 7.066 5.619 0.926
479 2HB ARG 64 2HB ARG 64 6.703 4.720 2.386
480 1HG ARG 64 1HG ARG 64 8.400 5.756 3.625
481 2HG ARG 64 2HG ARG 64 9.394 6.065 2.215
482 1HD ARG 64 1HD ARG 64 6.724 7.476 2.639
483 2HD ARG 64 2HD ARG 64 8.220 8.110 3.296
484 HE ARG 64 HE ARG 64 8.605 7.518 0.513
485 1HH1 ARG 64 2HH1 ARG 64 6.726 9.730 2.496
486 2HH1 ARG 64 1HH1 ARG 64 6.861 11.049 1.382
487 1HH2 ARG 64 1HH2 ARG 64 8.870 9.292 -0.915
488 2HH2 ARG 64 2HH2 ARG 64 8.031 10.775 -0.604
489 H CYS 65 H CYS 65 7.997 4.422 -1.258
490 HA CYS 65 HA CYS 65 10.648 4.572 -2.087
491 1HB CYS 65 1HB CYS 65 8.570 4.249 -3.499
492 2HB CYS 65 2HB CYS 65 8.304 5.976 -3.374
493 H SER 66 H SER 66 12.146 6.252 -2.024
494 HA SER 66 HA SER 66 11.683 8.362 -0.294
495 1HB SER 66 1HB SER 66 13.878 9.205 -1.078
496 2HB SER 66 2HB SER 66 13.931 7.481 -0.767
497 HG SER 66 HG SER 66 14.965 7.974 -2.777
498 1HN NH2 67 1H SER 66 12.514 8.630 -3.764
499 2HN NH2 67 2H SER 66 11.472 9.963 -4.131
No H/Q in entry = 499
Start of MODEL 6
1 1H LYS 1 1H LYS 1 -11.714 -0.876 -0.942
2 2H LYS 1 2H LYS 1 -10.963 -2.217 -0.328
3 3H LYS 1 3H LYS 1 -12.125 -1.440 0.560
4 HA LYS 1 HA LYS 1 -10.797 0.501 0.698
5 1HB LYS 1 1HB LYS 1 -10.757 -1.401 2.399
6 2HB LYS 1 2HB LYS 1 -9.242 -1.902 1.678
7 1HG LYS 1 1HG LYS 1 -8.473 -0.477 3.366
8 2HG LYS 1 2HG LYS 1 -8.539 0.630 2.010
9 1HD LYS 1 1HD LYS 1 -11.050 1.017 2.860
10 2HD LYS 1 2HD LYS 1 -10.410 0.410 4.374
11 1HE LYS 1 1HE LYS 1 -9.894 2.640 4.689
12 2HE LYS 1 2HE LYS 1 -8.441 2.180 3.822
13 1HZ LYS 1 1HZ LYS 1 -9.618 2.833 1.770
14 2HZ LYS 1 2HZ LYS 1 -10.843 3.419 2.677
15 3HZ LYS 1 3HZ LYS 1 -9.352 4.077 2.795
16 H GLU 2 H GLU 2 -8.752 1.608 0.203
17 HA GLU 2 HA GLU 2 -7.474 0.596 -2.132
18 1HB GLU 2 1HB GLU 2 -8.669 2.728 -3.364
19 2HB GLU 2 2HB GLU 2 -9.223 1.073 -3.514
20 1HG GLU 2 1HG GLU 2 -11.072 2.655 -2.907
21 2HG GLU 2 2HG GLU 2 -10.861 1.382 -1.722
22 H GLY 3 H GLY 3 -6.478 2.779 -3.353
23 1HA GLY 3 1HA GLY 3 -6.597 5.260 -2.362
24 2HA GLY 3 2HA GLY 3 -5.393 4.539 -1.313
25 H TYR 4 H TYR 4 -4.296 2.660 -3.340
26 HA TYR 4 HA TYR 4 -3.159 3.762 -5.504
27 1HB TYR 4 1HB TYR 4 -2.656 5.326 -3.098
28 2HB TYR 4 2HB TYR 4 -1.138 4.570 -3.542
29 HD1 TYR 4 HD1 TYR 4 -3.708 5.592 -6.012
30 HD2 TYR 4 HD2 TYR 4 0.017 6.583 -4.155
31 HE1 TYR 4 HE1 TYR 4 -3.312 7.400 -7.754
32 HE2 TYR 4 HE2 TYR 4 0.400 8.388 -5.903
33 HH TYR 4 HH TYR 4 -2.071 9.082 -8.350
34 H LEU 5 H LEU 5 -2.806 1.570 -5.966
35 HA LEU 5 HA LEU 5 -1.570 -0.261 -4.333
36 1HB LEU 5 1HB LEU 5 -2.402 -1.310 -6.120
37 2HB LEU 5 2HB LEU 5 -2.145 0.055 -7.188
38 HG LEU 5 HG LEU 5 0.401 -0.692 -6.966
39 1HD1 LEU 5 1HD1 LEU 5 -0.346 -2.518 -5.314
40 2HD1 LEU 5 2HD1 LEU 5 -0.933 -3.385 -6.754
41 3HD1 LEU 5 3HD1 LEU 5 0.791 -2.964 -6.609
42 1HD2 LEU 5 1HD2 LEU 5 -0.927 -0.503 -9.039
43 2HD2 LEU 5 2HD2 LEU 5 0.167 -1.907 -9.047
44 3HD2 LEU 5 3HD2 LEU 5 -1.574 -2.137 -8.754
45 H VAL 6 H VAL 6 0.637 -1.026 -4.152
46 HA VAL 6 HA VAL 6 2.472 1.243 -4.505
47 HB VAL 6 HB VAL 6 1.648 1.242 -2.252
48 1HG1 VAL 6 1HG1 VAL 6 2.409 -1.692 -2.226
49 2HG1 VAL 6 2HG1 VAL 6 2.068 -0.751 -0.755
50 3HG1 VAL 6 3HG1 VAL 6 0.799 -0.974 -1.981
51 1HG2 VAL 6 1HG2 VAL 6 4.155 1.552 -2.794
52 2HG2 VAL 6 2HG2 VAL 6 3.688 1.292 -1.096
53 3HG2 VAL 6 3HG2 VAL 6 4.370 -0.050 -2.047
54 H ASP 7 H ASP 7 4.674 0.717 -4.909
55 HA ASP 7 HA ASP 7 5.198 -1.834 -5.933
56 1HB ASP 7 1HB ASP 7 6.480 0.111 -6.669
57 2HB ASP 7 2HB ASP 7 6.999 0.456 -5.032
58 H LYS 8 H LYS 8 5.882 -3.709 -4.775
59 HA LYS 8 HA LYS 8 5.288 -3.400 -1.988
60 1HB LYS 8 1HB LYS 8 5.411 -5.634 -3.962
61 2HB LYS 8 2HB LYS 8 5.637 -6.046 -2.274
62 1HG LYS 8 1HG LYS 8 3.346 -4.229 -3.073
63 2HG LYS 8 2HG LYS 8 3.193 -5.960 -3.298
64 1HD LYS 8 1HD LYS 8 3.424 -6.407 -0.956
65 2HD LYS 8 2HD LYS 8 4.093 -4.822 -0.628
66 1HE LYS 8 1HE LYS 8 1.702 -5.022 0.105
67 2HE LYS 8 2HE LYS 8 1.936 -3.743 -1.071
68 1HZ LYS 8 1HZ LYS 8 1.106 -6.452 -1.831
69 2HZ LYS 8 2HZ LYS 8 0.041 -5.261 -1.495
70 3HZ LYS 8 3HZ LYS 8 1.069 -5.106 -2.754
71 H ASN 9 H ASN 9 8.110 -3.218 -3.842
72 HA ASN 9 HA ASN 9 9.736 -4.471 -1.819
73 1HB ASN 9 1HB ASN 9 10.067 -3.618 -4.645
74 2HB ASN 9 2HB ASN 9 11.456 -3.218 -3.654
75 1HD2 ASN 9 1HD2 ASN 9 10.303 -7.165 -4.209
76 2HD2 ASN 9 2HD2 ASN 9 9.172 -5.858 -4.323
77 H THR 10 H THR 10 10.021 -1.367 -3.727
78 HA THR 10 HA THR 10 11.459 -0.247 -1.457
79 HB THR 10 HB THR 10 11.798 1.566 -3.398
80 HG1 THR 10 HG1 THR 10 11.407 0.486 -5.453
81 1HG2 THR 10 1HG2 THR 10 13.595 -0.042 -2.623
82 2HG2 THR 10 2HG2 THR 10 12.911 -1.271 -3.714
83 3HG2 THR 10 3HG2 THR 10 13.619 0.218 -4.383
84 H GLY 11 H GLY 11 8.272 -0.247 -2.747
85 1HA GLY 11 1HA GLY 11 6.492 1.101 -2.509
86 2HA GLY 11 2HA GLY 11 7.260 1.752 -1.074
87 H CYS 12 H CYS 12 8.500 1.837 -4.469
88 HA CYS 12 HA CYS 12 8.664 4.732 -4.162
89 1HB CYS 12 1HB CYS 12 10.479 2.781 -5.103
90 2HB CYS 12 2HB CYS 12 10.006 3.724 -6.502
91 H LYS 13 H LYS 13 8.654 5.672 -6.717
92 HA LYS 13 HA LYS 13 6.025 5.523 -7.576
93 1HB LYS 13 1HB LYS 13 6.752 6.797 -9.467
94 2HB LYS 13 2HB LYS 13 7.648 7.346 -8.065
95 1HG LYS 13 1HG LYS 13 9.523 5.730 -8.768
96 2HG LYS 13 2HG LYS 13 8.644 5.479 -10.264
97 1HD LYS 13 1HD LYS 13 9.312 8.293 -9.334
98 2HD LYS 13 2HD LYS 13 10.515 7.331 -10.171
99 1HE LYS 13 1HE LYS 13 7.713 7.798 -11.290
100 2HE LYS 13 2HE LYS 13 9.063 8.857 -11.650
101 1HZ LYS 13 1HZ LYS 13 10.229 6.740 -12.345
102 2HZ LYS 13 2HZ LYS 13 8.755 6.038 -12.351
103 3HZ LYS 13 3HZ LYS 13 9.061 7.304 -13.335
104 H TYR 14 H TYR 14 5.058 4.517 -9.467
105 HA TYR 14 HA TYR 14 6.654 2.304 -10.564
106 1HB TYR 14 1HB TYR 14 3.856 1.788 -10.846
107 2HB TYR 14 2HB TYR 14 4.936 0.983 -9.724
108 HD1 TYR 14 HD1 TYR 14 5.212 1.932 -7.383
109 HD2 TYR 14 HD2 TYR 14 2.176 3.286 -10.076
110 HE1 TYR 14 HE1 TYR 14 3.916 2.925 -5.435
111 HE2 TYR 14 HE2 TYR 14 0.890 4.275 -8.118
112 HH TYR 14 HH TYR 14 0.892 3.576 -5.428
113 H GLU 15 H GLU 15 3.756 4.468 -11.163
114 HA GLU 15 HA GLU 15 3.582 6.016 -12.676
115 1HB GLU 15 1HB GLU 15 6.139 6.215 -12.169
116 2HB GLU 15 2HB GLU 15 6.372 5.444 -13.726
117 1HG GLU 15 1HG GLU 15 5.066 7.232 -14.844
118 2HG GLU 15 2HG GLU 15 4.723 7.981 -13.296
119 H CYS 16 H CYS 16 1.951 4.849 -13.830
120 HA CYS 16 HA CYS 16 2.689 2.828 -15.673
121 1HB CYS 16 1HB CYS 16 0.235 3.030 -16.337
122 2HB CYS 16 2HB CYS 16 0.612 2.494 -14.712
123 H LEU 17 H LEU 17 2.393 6.327 -15.695
124 HA LEU 17 HA LEU 17 2.426 7.871 -17.270
125 1HB LEU 17 1HB LEU 17 3.562 5.707 -19.045
126 2HB LEU 17 2HB LEU 17 3.609 7.430 -19.358
127 HG LEU 17 HG LEU 17 4.880 6.218 -16.900
128 1HD1 LEU 17 1HD1 LEU 17 6.158 6.641 -19.615
129 2HD1 LEU 17 2HD1 LEU 17 7.025 6.236 -18.113
130 3HD1 LEU 17 3HD1 LEU 17 5.859 5.083 -18.807
131 1HD2 LEU 17 1HD2 LEU 17 5.293 8.841 -18.360
132 2HD2 LEU 17 2HD2 LEU 17 4.514 8.605 -16.778
133 3HD2 LEU 17 3HD2 LEU 17 6.252 8.274 -16.972
134 H LYS 18 H LYS 18 1.276 8.671 -19.226
135 HA LYS 18 HA LYS 18 -0.449 8.770 -20.603
136 1HB LYS 18 1HB LYS 18 0.992 6.986 -21.688
137 2HB LYS 18 2HB LYS 18 -0.088 5.790 -21.001
138 1HG LYS 18 1HG LYS 18 -2.018 6.805 -22.179
139 2HG LYS 18 2HG LYS 18 -0.997 8.088 -22.799
140 1HD LYS 18 1HD LYS 18 0.335 6.475 -24.099
141 2HD LYS 18 2HD LYS 18 -0.525 5.127 -23.381
142 1HE LYS 18 1HE LYS 18 -2.033 7.287 -24.899
143 2HE LYS 18 2HE LYS 18 -1.260 5.971 -25.759
144 1HZ LYS 18 1HZ LYS 18 -2.517 4.440 -24.354
145 2HZ LYS 18 2HZ LYS 18 -3.287 5.697 -23.651
146 3HZ LYS 18 3HZ LYS 18 -3.495 5.399 -25.243
147 H LEU 19 H LEU 19 -1.752 9.322 -18.659
148 HA LEU 19 HA LEU 19 -3.018 7.395 -17.121
149 1HB LEU 19 1HB LEU 19 -4.385 9.187 -16.310
150 2HB LEU 19 2HB LEU 19 -2.724 9.723 -16.473
151 HG LEU 19 HG LEU 19 -3.838 10.461 -18.900
152 1HD1 LEU 19 1HD1 LEU 19 -6.085 9.894 -18.100
153 2HD1 LEU 19 2HD1 LEU 19 -5.880 11.006 -16.726
154 3HD1 LEU 19 3HD1 LEU 19 -5.911 11.641 -18.388
155 1HD2 LEU 19 1HD2 LEU 19 -2.265 11.762 -17.554
156 2HD2 LEU 19 2HD2 LEU 19 -3.665 12.746 -18.046
157 3HD2 LEU 19 3HD2 LEU 19 -3.554 12.125 -16.381
158 H GLY 20 H GLY 20 -5.112 6.463 -17.161
159 1HA GLY 20 1HA GLY 20 -7.231 6.225 -18.276
160 2HA GLY 20 2HA GLY 20 -6.448 6.621 -19.793
161 H ASP 21 H ASP 21 -4.038 5.045 -19.522
162 HA ASP 21 HA ASP 21 -5.204 2.779 -20.685
163 1HB ASP 21 1HB ASP 21 -2.326 3.494 -19.971
164 2HB ASP 21 2HB ASP 21 -2.744 2.026 -20.832
165 H ASN 22 H ASN 22 -6.337 1.583 -19.020
166 HA ASN 22 HA ASN 22 -4.905 1.049 -16.590
167 1HB ASN 22 1HB ASN 22 -7.133 -0.111 -15.981
168 2HB ASN 22 2HB ASN 22 -7.228 1.614 -16.274
169 1HD2 ASN 22 1HD2 ASN 22 -9.098 1.452 -19.249
170 2HD2 ASN 22 2HD2 ASN 22 -8.082 2.400 -18.216
171 H ASP 23 H ASP 23 -3.394 -0.241 -18.333
172 HA ASP 23 HA ASP 23 -4.467 -2.926 -18.600
173 1HB ASP 23 1HB ASP 23 -3.588 -2.161 -20.686
174 2HB ASP 23 2HB ASP 23 -2.202 -1.405 -19.927
175 H TYR 24 H TYR 24 -1.251 -1.299 -17.969
176 HA TYR 24 HA TYR 24 -0.166 -3.637 -16.819
177 1HB TYR 24 1HB TYR 24 0.571 -0.644 -16.745
178 2HB TYR 24 2HB TYR 24 1.674 -1.921 -16.269
179 HD1 TYR 24 HD1 TYR 24 2.156 -3.759 -18.102
180 HD2 TYR 24 HD2 TYR 24 0.601 0.138 -18.944
181 HE1 TYR 24 HE1 TYR 24 2.958 -3.950 -20.507
182 HE2 TYR 24 HE2 TYR 24 1.408 -0.067 -21.346
183 HH TYR 24 HH TYR 24 3.149 -2.976 -22.420
184 H CYS 25 H CYS 25 -1.900 -0.813 -15.525
185 HA CYS 25 HA CYS 25 -1.182 -1.202 -12.844
186 1HB CYS 25 1HB CYS 25 -3.609 0.071 -14.117
187 2HB CYS 25 2HB CYS 25 -3.312 0.068 -12.390
188 H LEU 26 H LEU 26 -3.795 -2.465 -14.995
189 HA LEU 26 HA LEU 26 -5.159 -3.865 -12.971
190 1HB LEU 26 1HB LEU 26 -5.534 -3.251 -15.648
191 2HB LEU 26 2HB LEU 26 -5.351 -4.994 -15.653
192 HG LEU 26 HG LEU 26 -7.324 -3.491 -13.913
193 1HD1 LEU 26 1HD1 LEU 26 -7.770 -4.917 -16.550
194 2HD1 LEU 26 2HD1 LEU 26 -9.049 -4.292 -15.481
195 3HD1 LEU 26 3HD1 LEU 26 -7.900 -3.168 -16.246
196 1HD2 LEU 26 1HD2 LEU 26 -6.969 -6.445 -14.481
197 2HD2 LEU 26 2HD2 LEU 26 -6.726 -5.607 -12.931
198 3HD2 LEU 26 3HD2 LEU 26 -8.358 -5.731 -13.628
199 H ARG 27 H ARG 27 -2.486 -4.715 -15.229
200 HA ARG 27 HA ARG 27 -2.497 -7.409 -14.723
201 1HB ARG 27 1HB ARG 27 -0.293 -5.463 -15.525
202 2HB ARG 27 2HB ARG 27 0.041 -7.175 -15.352
203 1HG ARG 27 1HG ARG 27 -1.785 -7.685 -17.002
204 2HG ARG 27 2HG ARG 27 -2.080 -5.967 -17.191
205 1HD ARG 27 1HD ARG 27 0.542 -5.892 -17.729
206 2HD ARG 27 2HD ARG 27 0.309 -7.591 -18.092
207 HE ARG 27 HE ARG 27 -1.749 -6.020 -19.370
208 1HH1 ARG 27 2HH1 ARG 27 1.686 -6.742 -19.617
209 2HH1 ARG 27 1HH1 ARG 27 1.729 -6.570 -21.339
210 1HH2 ARG 27 1HH2 ARG 27 -1.665 -5.677 -21.629
211 2HH2 ARG 27 2HH2 ARG 27 -0.208 -6.023 -22.499
212 H GLU 28 H GLU 28 -0.664 -4.712 -13.129
213 HA GLU 28 HA GLU 28 0.695 -6.305 -11.327
214 1HB GLU 28 1HB GLU 28 1.078 -3.835 -11.897
215 2HB GLU 28 2HB GLU 28 -0.256 -3.454 -10.826
216 1HG GLU 28 1HG GLU 28 1.969 -3.292 -9.682
217 2HG GLU 28 2HG GLU 28 0.902 -4.450 -8.912
218 H CYS 29 H CYS 29 -2.416 -4.460 -10.956
219 HA CYS 29 HA CYS 29 -2.886 -5.080 -8.337
220 1HB CYS 29 1HB CYS 29 -4.170 -3.623 -10.182
221 2HB CYS 29 2HB CYS 29 -5.221 -5.025 -10.181
222 H LYS 30 H LYS 30 -3.377 -6.979 -11.335
223 HA LYS 30 HA LYS 30 -5.026 -8.955 -10.250
224 1HB LYS 30 1HB LYS 30 -4.515 -8.411 -12.700
225 2HB LYS 30 2HB LYS 30 -3.048 -9.349 -12.503
226 1HG LYS 30 1HG LYS 30 -5.635 -10.589 -11.573
227 2HG LYS 30 2HG LYS 30 -5.364 -10.476 -13.301
228 1HD LYS 30 1HD LYS 30 -3.282 -11.653 -11.412
229 2HD LYS 30 2HD LYS 30 -4.547 -12.633 -12.128
230 1HE LYS 30 1HE LYS 30 -3.772 -11.808 -14.422
231 2HE LYS 30 2HE LYS 30 -2.415 -11.039 -13.625
232 1HZ LYS 30 1HZ LYS 30 -2.241 -13.463 -12.624
233 2HZ LYS 30 2HZ LYS 30 -2.917 -13.837 -14.062
234 3HZ LYS 30 3HZ LYS 30 -1.500 -13.027 -14.011
235 H GLN 31 H GLN 31 -1.424 -8.933 -10.784
236 HA GLN 31 HA GLN 31 -1.360 -11.449 -9.377
237 1HB GLN 31 1HB GLN 31 0.076 -10.312 -11.565
238 2HB GLN 31 2HB GLN 31 1.245 -10.530 -10.278
239 1HG GLN 31 1HG GLN 31 0.908 -12.869 -10.176
240 2HG GLN 31 2HG GLN 31 -0.687 -12.777 -10.896
241 1HE2 GLN 31 1HE2 GLN 31 2.740 -12.683 -13.216
242 2HE2 GLN 31 2HE2 GLN 31 2.757 -12.281 -11.531
243 H GLN 32 H GLN 32 -1.912 -9.004 -7.752
244 HA GLN 32 HA GLN 32 -0.391 -10.452 -5.844
245 1HB GLN 32 1HB GLN 32 0.429 -8.467 -4.586
246 2HB GLN 32 2HB GLN 32 1.162 -8.585 -6.173
247 1HG GLN 32 1HG GLN 32 -0.523 -6.939 -7.056
248 2HG GLN 32 2HG GLN 32 -1.209 -6.799 -5.448
249 1HE2 GLN 32 1HE2 GLN 32 2.359 -5.020 -6.476
250 2HE2 GLN 32 2HE2 GLN 32 1.615 -6.243 -7.450
251 H TYR 33 H TYR 33 -2.769 -7.875 -6.634
252 HA TYR 33 HA TYR 33 -4.056 -8.314 -4.041
253 1HB TYR 33 1HB TYR 33 -3.739 -6.162 -6.131
254 2HB TYR 33 2HB TYR 33 -5.325 -6.219 -5.389
255 HD1 TYR 33 HD1 TYR 33 -5.005 -6.679 -2.625
256 HD2 TYR 33 HD2 TYR 33 -2.389 -4.515 -5.229
257 HE1 TYR 33 HE1 TYR 33 -4.121 -5.350 -0.646
258 HE2 TYR 33 HE2 TYR 33 -1.513 -3.194 -3.241
259 HH TYR 33 HH TYR 33 -1.926 -2.649 -1.124
260 H GLY 34 H GLY 34 -4.202 -9.564 -7.141
261 1HA GLY 34 1HA GLY 34 -6.921 -9.046 -7.828
262 2HA GLY 34 2HA GLY 34 -5.811 -10.152 -8.612
263 H LYS 35 H LYS 35 -7.751 -9.830 -5.526
264 HA LYS 35 HA LYS 35 -8.627 -12.571 -6.098
265 1HB LYS 35 1HB LYS 35 -8.852 -10.879 -3.594
266 2HB LYS 35 2HB LYS 35 -9.676 -12.410 -3.809
267 1HG LYS 35 1HG LYS 35 -7.753 -13.255 -2.866
268 2HG LYS 35 2HG LYS 35 -7.174 -13.195 -4.519
269 1HD LYS 35 1HD LYS 35 -6.266 -10.873 -4.067
270 2HD LYS 35 2HD LYS 35 -6.758 -11.040 -2.393
271 1HE LYS 35 1HE LYS 35 -5.262 -12.974 -2.091
272 2HE LYS 35 2HE LYS 35 -4.862 -12.982 -3.796
273 1HZ LYS 35 1HZ LYS 35 -4.380 -10.615 -2.147
274 2HZ LYS 35 2HZ LYS 35 -3.288 -11.826 -2.232
275 3HZ LYS 35 3HZ LYS 35 -3.702 -11.006 -3.581
276 H GLY 36 H GLY 36 -9.430 -10.939 -8.057
277 1HA GLY 36 1HA GLY 36 -11.425 -10.374 -9.061
278 2HA GLY 36 2HA GLY 36 -12.243 -10.415 -7.513
279 H ALA 37 H ALA 37 -9.213 -8.736 -7.384
280 HA ALA 37 HA ALA 37 -10.607 -6.273 -6.901
281 1HB ALA 37 1HB ALA 37 -8.680 -7.091 -5.535
282 2HB ALA 37 2HB ALA 37 -7.627 -6.899 -6.957
283 3HB ALA 37 3HB ALA 37 -8.403 -5.474 -6.226
284 H GLY 38 H GLY 38 -9.310 -4.212 -7.888
285 1HA GLY 38 1HA GLY 38 -8.682 -4.602 -10.699
286 2HA GLY 38 2HA GLY 38 -10.195 -3.780 -10.371
287 H GLY 39 H GLY 39 -8.416 -2.281 -11.732
288 1HA GLY 39 1HA GLY 39 -7.731 -0.091 -10.139
289 2HA GLY 39 2HA GLY 39 -6.318 -1.121 -10.249
290 H TYR 40 H TYR 40 -6.312 1.476 -11.362
291 HA TYR 40 HA TYR 40 -6.142 0.920 -14.203
292 1HB TYR 40 1HB TYR 40 -7.613 3.052 -14.515
293 2HB TYR 40 2HB TYR 40 -8.476 1.625 -13.975
294 HD1 TYR 40 HD1 TYR 40 -7.047 4.863 -12.867
295 HD2 TYR 40 HD2 TYR 40 -9.556 1.555 -11.837
296 HE1 TYR 40 HE1 TYR 40 -7.920 6.144 -10.851
297 HE2 TYR 40 HE2 TYR 40 -10.421 2.847 -9.825
298 HH TYR 40 HH TYR 40 -9.129 6.062 -9.056
299 H CYS 41 H CYS 41 -5.633 3.298 -15.287
300 HA CYS 41 HA CYS 41 -3.269 4.069 -13.761
301 1HB CYS 41 1HB CYS 41 -2.877 3.091 -15.969
302 2HB CYS 41 2HB CYS 41 -3.873 4.324 -16.715
303 H TYR 42 H TYR 42 -3.786 5.856 -12.495
304 HA TYR 42 HA TYR 42 -5.445 7.956 -13.555
305 1HB TYR 42 1HB TYR 42 -4.338 6.977 -11.057
306 2HB TYR 42 2HB TYR 42 -3.723 8.605 -11.261
307 HD1 TYR 42 HD1 TYR 42 -6.141 9.786 -12.708
308 HD2 TYR 42 HD2 TYR 42 -5.818 7.312 -9.233
309 HE1 TYR 42 HE1 TYR 42 -8.337 10.720 -11.831
310 HE2 TYR 42 HE2 TYR 42 -8.016 8.254 -8.367
311 HH TYR 42 HH TYR 42 -9.797 10.690 -10.249
312 H ALA 43 H ALA 43 -4.047 10.236 -12.575
313 HA ALA 43 HA ALA 43 -2.386 10.936 -14.657
314 1HB ALA 43 1HB ALA 43 -2.466 11.923 -11.777
315 2HB ALA 43 2HB ALA 43 -1.668 12.769 -13.125
316 3HB ALA 43 3HB ALA 43 -3.433 12.539 -13.138
317 H PHE 44 H PHE 44 -1.020 9.041 -15.047
318 HA PHE 44 HA PHE 44 0.974 8.101 -15.032
319 1HB PHE 44 1HB PHE 44 1.903 10.414 -13.257
320 2HB PHE 44 2HB PHE 44 2.810 9.622 -14.530
321 HD1 PHE 44 HD1 PHE 44 1.127 9.701 -16.845
322 HD2 PHE 44 HD2 PHE 44 1.576 12.626 -13.803
323 HE1 PHE 44 HE1 PHE 44 0.425 11.490 -18.460
324 HE2 PHE 44 HE2 PHE 44 0.875 14.414 -15.419
325 HZ PHE 44 HZ PHE 44 0.307 13.825 -17.728
326 H ALA 45 H ALA 45 -0.836 7.321 -12.889
327 HA ALA 45 HA ALA 45 1.080 5.871 -11.387
328 1HB ALA 45 1HB ALA 45 -0.469 8.105 -10.037
329 2HB ALA 45 2HB ALA 45 0.190 6.717 -9.140
330 3HB ALA 45 3HB ALA 45 1.286 7.812 -10.015
331 H CYS 46 H CYS 46 0.048 4.127 -10.174
332 HA CYS 46 HA CYS 46 -2.443 3.454 -11.459
333 1HB CYS 46 1HB CYS 46 -0.554 1.866 -9.713
334 2HB CYS 46 2HB CYS 46 -2.057 1.231 -10.350
335 H TRP 47 H TRP 47 -4.435 3.159 -10.333
336 HA TRP 47 HA TRP 47 -4.263 3.321 -7.404
337 1HB TRP 47 1HB TRP 47 -5.210 5.386 -8.002
338 2HB TRP 47 2HB TRP 47 -6.212 4.677 -9.252
339 HD1 TRP 47 HD1 TRP 47 -8.080 2.709 -8.016
340 HE1 TRP 47 HE1 TRP 47 -9.705 3.100 -5.975
341 HE3 TRP 47 HE3 TRP 47 -5.549 6.674 -6.085
342 HZ2 TRP 47 HZ2 TRP 47 -9.749 4.982 -3.829
343 HZ3 TRP 47 HZ3 TRP 47 -6.451 7.731 -4.015
344 HH2 TRP 47 HH2 TRP 47 -8.475 6.946 -2.892
345 H CYS 48 H CYS 48 -5.053 1.485 -6.445
346 HA CYS 48 HA CYS 48 -6.646 -0.279 -8.149
347 1HB CYS 48 1HB CYS 48 -4.724 -0.763 -5.909
348 2HB CYS 48 2HB CYS 48 -6.029 -1.905 -6.161
349 H THR 49 H THR 49 -8.719 -1.090 -7.268
350 HA THR 49 HA THR 49 -9.748 0.907 -5.374
351 HB THR 49 HB THR 49 -9.918 1.982 -7.536
352 HG1 THR 49 HG1 THR 49 -11.907 1.884 -6.238
353 1HG2 THR 49 1HG2 THR 49 -10.949 -0.740 -8.471
354 2HG2 THR 49 2HG2 THR 49 -11.234 0.759 -9.388
355 3HG2 THR 49 3HG2 THR 49 -9.572 0.178 -9.126
356 H HIS 50 H HIS 50 -9.274 -1.990 -5.096
357 HA HIS 50 HA HIS 50 -11.738 -2.650 -3.986
358 1HB HIS 50 1HB HIS 50 -12.439 -2.904 -6.335
359 2HB HIS 50 2HB HIS 50 -11.151 -4.062 -6.603
360 HD1 HIS 50 HD1 HIS 50 -12.729 -4.488 -3.298
361 HD2 HIS 50 HD2 HIS 50 -13.393 -5.854 -7.208
362 HE1 HIS 50 HE1 HIS 50 -14.301 -6.489 -3.099
363 H LEU 51 H LEU 51 -8.936 -2.520 -3.260
364 HA LEU 51 HA LEU 51 -8.290 -5.274 -2.723
365 1HB LEU 51 1HB LEU 51 -7.176 -2.856 -1.326
366 2HB LEU 51 2HB LEU 51 -6.448 -4.438 -1.525
367 HG LEU 51 HG LEU 51 -5.244 -3.344 -3.092
368 1HD1 LEU 51 1HD1 LEU 51 -6.877 -5.027 -4.220
369 2HD1 LEU 51 2HD1 LEU 51 -7.606 -3.568 -4.933
370 3HD1 LEU 51 3HD1 LEU 51 -5.891 -3.942 -5.228
371 1HD2 LEU 51 1HD2 LEU 51 -6.647 -1.205 -2.483
372 2HD2 LEU 51 2HD2 LEU 51 -5.652 -1.259 -3.959
373 3HD2 LEU 51 3HD2 LEU 51 -7.411 -1.519 -4.060
374 H TYR 52 H TYR 52 -7.822 -5.592 -0.119
375 HA TYR 52 HA TYR 52 -10.567 -5.384 0.904
376 1HB TYR 52 1HB TYR 52 -9.141 -7.376 2.293
377 2HB TYR 52 2HB TYR 52 -10.178 -7.686 0.916
378 HD1 TYR 52 HD1 TYR 52 -9.105 -7.618 -1.433
379 HD2 TYR 52 HD2 TYR 52 -6.831 -7.832 2.184
380 HE1 TYR 52 HE1 TYR 52 -7.103 -8.489 -2.735
381 HE2 TYR 52 HE2 TYR 52 -4.837 -8.702 0.870
382 HH TYR 52 HH TYR 52 -3.992 -8.645 -1.365
383 H GLU 53 H GLU 53 -10.130 -6.189 3.541
384 HA GLU 53 HA GLU 53 -9.515 -3.972 4.888
385 1HB GLU 53 1HB GLU 53 -9.151 -5.399 6.856
386 2HB GLU 53 2HB GLU 53 -10.471 -6.028 5.890
387 1HG GLU 53 1HG GLU 53 -8.780 -7.595 4.770
388 2HG GLU 53 2HG GLU 53 -7.600 -7.060 5.950
389 H GLN 54 H GLN 54 -7.255 -6.235 3.362
390 HA GLN 54 HA GLN 54 -5.049 -4.917 4.709
391 1HB GLN 54 1HB GLN 54 -5.549 -7.613 3.942
392 2HB GLN 54 2HB GLN 54 -4.250 -7.058 2.906
393 1HG GLN 54 1HG GLN 54 -2.968 -6.286 4.900
394 2HG GLN 54 2HG GLN 54 -4.277 -6.789 5.950
395 1HE2 GLN 54 1HE2 GLN 54 -3.687 -10.268 5.736
396 2HE2 GLN 54 2HE2 GLN 54 -4.876 -9.037 6.001
397 H ALA 55 H ALA 55 -6.631 -3.501 2.659
398 HA ALA 55 HA ALA 55 -4.984 -3.187 0.395
399 1HB ALA 55 1HB ALA 55 -7.326 -2.317 0.706
400 2HB ALA 55 2HB ALA 55 -6.675 -1.109 1.839
401 3HB ALA 55 3HB ALA 55 -6.172 -1.090 0.132
402 H ILE 56 H ILE 56 -2.760 -3.143 0.875
403 HA ILE 56 HA ILE 56 -1.846 -0.936 2.518
404 HB ILE 56 HB ILE 56 -0.259 -2.827 0.783
405 1HG1 ILE 56 1HG1 ILE 56 -1.502 -4.182 2.323
406 2HG1 ILE 56 2HG1 ILE 56 0.160 -4.095 2.875
407 1HG2 ILE 56 1HG2 ILE 56 0.481 -0.895 2.986
408 2HG2 ILE 56 2HG2 ILE 56 1.553 -2.207 2.439
409 3HG2 ILE 56 3HG2 ILE 56 1.057 -0.930 1.302
410 1HD1 ILE 56 1HD1 ILE 56 -0.550 -2.175 4.415
411 2HD1 ILE 56 2HD1 ILE 56 -2.232 -2.563 3.977
412 3HD1 ILE 56 3HD1 ILE 56 -1.231 -3.770 4.818
413 H VAL 57 H VAL 57 -1.704 1.103 1.761
414 HA VAL 57 HA VAL 57 -1.598 1.399 -1.162
415 HB VAL 57 HB VAL 57 -3.596 2.336 -0.918
416 1HG1 VAL 57 1HG1 VAL 57 -3.056 2.651 2.055
417 2HG1 VAL 57 2HG1 VAL 57 -4.613 2.955 1.247
418 3HG1 VAL 57 3HG1 VAL 57 -3.930 1.311 1.273
419 1HG2 VAL 57 1HG2 VAL 57 -2.211 4.337 -1.225
420 2HG2 VAL 57 2HG2 VAL 57 -3.642 4.696 -0.229
421 3HG2 VAL 57 3HG2 VAL 57 -2.048 4.506 0.540
422 H TRP 58 H TRP 58 -0.361 3.243 -1.969
423 HA TRP 58 HA TRP 58 2.144 3.071 -0.777
424 1HB TRP 58 1HB TRP 58 1.939 3.376 -3.127
425 2HB TRP 58 2HB TRP 58 1.032 4.863 -2.933
426 HD1 TRP 58 HD1 TRP 58 4.603 3.587 -3.103
427 HE1 TRP 58 HE1 TRP 58 6.364 5.549 -3.010
428 HE3 TRP 58 HE3 TRP 58 1.278 7.215 -1.824
429 HZ2 TRP 58 HZ2 TRP 58 6.174 8.335 -2.424
430 HZ3 TRP 58 HZ3 TRP 58 2.148 9.530 -1.510
431 HH2 TRP 58 HH2 TRP 58 4.505 10.115 -1.790
432 HA PRO 59 HA PRO 59 3.790 3.946 -0.561
433 1HB PRO 59 1HB PRO 59 5.680 4.589 1.306
434 2HB PRO 59 2HB PRO 59 5.530 5.419 -0.230
435 1HG PRO 59 1HG PRO 59 4.733 6.344 2.462
436 2HG PRO 59 2HG PRO 59 4.986 7.288 1.008
437 1HD PRO 59 1HD PRO 59 2.464 6.537 2.149
438 2HD PRO 59 2HD PRO 59 2.720 7.381 0.635
439 H LEU 60 H LEU 60 5.433 2.396 0.937
440 HA LEU 60 HA LEU 60 3.825 1.179 2.957
441 1HB LEU 60 1HB LEU 60 6.768 1.047 2.297
442 2HB LEU 60 2HB LEU 60 6.017 0.126 3.586
443 HG LEU 60 HG LEU 60 5.885 -1.473 2.009
444 1HD1 LEU 60 1HD1 LEU 60 3.539 -0.858 2.463
445 2HD1 LEU 60 2HD1 LEU 60 3.556 0.200 1.031
446 3HD1 LEU 60 3HD1 LEU 60 3.765 -1.558 0.842
447 1HD2 LEU 60 1HD2 LEU 60 7.235 -0.108 0.422
448 2HD2 LEU 60 2HD2 LEU 60 6.040 -1.165 -0.368
449 3HD2 LEU 60 3HD2 LEU 60 5.721 0.580 -0.213
450 HA PRO 61 HA PRO 61 3.880 4.020 5.826
451 1HB PRO 61 1HB PRO 61 3.613 2.685 8.196
452 2HB PRO 61 2HB PRO 61 2.321 2.818 7.020
453 1HG PRO 61 1HG PRO 61 4.032 0.487 7.637
454 2HG PRO 61 2HG PRO 61 2.494 0.529 6.799
455 1HD PRO 61 1HD PRO 61 5.088 0.237 5.611
456 2HD PRO 61 2HD PRO 61 3.560 0.394 4.767
457 H ASN 62 H ASN 62 6.094 1.682 7.303
458 HA ASN 62 HA ASN 62 7.469 4.019 8.367
459 1HB ASN 62 1HB ASN 62 8.311 2.457 10.143
460 2HB ASN 62 2HB ASN 62 6.559 2.511 10.109
461 1HD2 ASN 62 1HD2 ASN 62 8.238 -1.001 10.075
462 2HD2 ASN 62 2HD2 ASN 62 8.769 0.480 10.801
463 H LYS 63 H LYS 63 7.719 2.426 5.667
464 HA LYS 63 HA LYS 63 10.545 2.904 5.683
465 1HB LYS 63 1HB LYS 63 11.093 0.725 4.574
466 2HB LYS 63 2HB LYS 63 10.698 0.606 6.277
467 1HG LYS 63 1HG LYS 63 8.293 0.374 4.599
468 2HG LYS 63 2HG LYS 63 9.491 -0.829 4.168
469 1HD LYS 63 1HD LYS 63 9.627 -1.609 6.501
470 2HD LYS 63 2HD LYS 63 8.570 -0.316 7.034
471 1HE LYS 63 1HE LYS 63 6.847 -1.315 5.308
472 2HE LYS 63 2HE LYS 63 7.868 -2.740 5.341
473 1HZ LYS 63 1HZ LYS 63 7.592 -2.800 7.734
474 2HZ LYS 63 2HZ LYS 63 6.621 -1.487 7.690
475 3HZ LYS 63 3HZ LYS 63 6.145 -2.879 6.980
476 H ARG 64 H ARG 64 8.831 4.603 4.626
477 HA ARG 64 HA ARG 64 8.038 4.036 2.034
478 1HB ARG 64 1HB ARG 64 8.056 6.583 1.787
479 2HB ARG 64 2HB ARG 64 7.132 5.982 3.150
480 1HG ARG 64 1HG ARG 64 8.563 6.897 4.698
481 2HG ARG 64 2HG ARG 64 9.994 6.480 3.777
482 1HD ARG 64 1HD ARG 64 8.218 8.625 2.634
483 2HD ARG 64 2HD ARG 64 9.146 9.040 4.061
484 HE ARG 64 HE ARG 64 10.249 8.298 1.402
485 1HH1 ARG 64 2HH1 ARG 64 11.074 8.558 4.787
486 2HH1 ARG 64 1HH1 ARG 64 12.571 9.383 4.510
487 1HH2 ARG 64 1HH2 ARG 64 12.276 9.334 0.998
488 2HH2 ARG 64 2HH2 ARG 64 13.307 9.731 2.332
489 H CYS 65 H CYS 65 9.014 5.167 0.011
490 HA CYS 65 HA CYS 65 11.577 4.067 -0.257
491 1HB CYS 65 1HB CYS 65 9.785 4.277 -2.028
492 2HB CYS 65 2HB CYS 65 10.217 5.969 -2.170
493 H SER 66 H SER 66 13.622 5.155 -0.592
494 HA SER 66 HA SER 66 14.040 7.377 0.975
495 1HB SER 66 1HB SER 66 16.294 7.422 -0.036
496 2HB SER 66 2HB SER 66 15.817 5.782 0.353
497 HG SER 66 HG SER 66 16.754 5.887 -1.764
498 1HN NH2 67 1H SER 66 14.417 7.186 -2.584
499 2HN NH2 67 2H SER 66 13.829 8.775 -2.944
No H/Q in entry = 499
Start of MODEL 7
1 1H LYS 1 1H LYS 1 -11.569 1.267 0.507
2 2H LYS 1 2H LYS 1 -11.927 1.355 2.121
3 3H LYS 1 3H LYS 1 -11.096 2.586 1.388
4 HA LYS 1 HA LYS 1 -9.424 1.583 2.389
5 1HB LYS 1 1HB LYS 1 -9.306 -0.931 2.599
6 2HB LYS 1 2HB LYS 1 -10.587 -0.146 3.501
7 1HG LYS 1 1HG LYS 1 -12.000 -0.604 1.270
8 2HG LYS 1 2HG LYS 1 -10.786 -1.841 1.008
9 1HD LYS 1 1HD LYS 1 -11.299 -2.892 3.166
10 2HD LYS 1 2HD LYS 1 -12.371 -1.577 3.603
11 1HE LYS 1 1HE LYS 1 -13.962 -2.175 1.861
12 2HE LYS 1 2HE LYS 1 -12.836 -3.302 1.131
13 1HZ LYS 1 1HZ LYS 1 -13.982 -3.577 3.824
14 2HZ LYS 1 2HZ LYS 1 -14.454 -4.414 2.503
15 3HZ LYS 1 3HZ LYS 1 -12.957 -4.635 3.118
16 H GLU 2 H GLU 2 -9.336 2.730 -0.015
17 HA GLU 2 HA GLU 2 -8.094 0.723 -1.731
18 1HB GLU 2 1HB GLU 2 -9.100 3.345 -2.827
19 2HB GLU 2 2HB GLU 2 -8.946 1.797 -3.632
20 1HG GLU 2 1HG GLU 2 -11.034 2.569 -1.544
21 2HG GLU 2 2HG GLU 2 -11.318 2.247 -3.243
22 H GLY 3 H GLY 3 -6.513 2.097 -3.436
23 1HA GLY 3 1HA GLY 3 -5.994 4.691 -3.220
24 2HA GLY 3 2HA GLY 3 -4.970 4.065 -1.943
25 H TYR 4 H TYR 4 -3.307 5.112 -3.523
26 HA TYR 4 HA TYR 4 -2.536 3.643 -5.797
27 1HB TYR 4 1HB TYR 4 -0.956 5.259 -3.700
28 2HB TYR 4 2HB TYR 4 -0.372 4.894 -5.310
29 HD1 TYR 4 HD1 TYR 4 -1.772 5.800 -7.309
30 HD2 TYR 4 HD2 TYR 4 -2.160 7.235 -3.297
31 HE1 TYR 4 HE1 TYR 4 -2.828 7.946 -8.171
32 HE2 TYR 4 HE2 TYR 4 -3.215 9.376 -4.172
33 HH TYR 4 HH TYR 4 -3.850 10.489 -5.903
34 H LEU 5 H LEU 5 -2.399 1.398 -5.518
35 HA LEU 5 HA LEU 5 -1.169 -0.020 -3.576
36 1HB LEU 5 1HB LEU 5 -2.115 -1.200 -5.329
37 2HB LEU 5 2HB LEU 5 -1.265 -0.282 -6.556
38 HG LEU 5 HG LEU 5 0.202 -2.123 -4.666
39 1HD1 LEU 5 1HD1 LEU 5 -1.134 -2.846 -7.285
40 2HD1 LEU 5 2HD1 LEU 5 0.098 -3.842 -6.473
41 3HD1 LEU 5 3HD1 LEU 5 -1.460 -3.525 -5.672
42 1HD2 LEU 5 1HD2 LEU 5 0.934 -0.393 -6.874
43 2HD2 LEU 5 2HD2 LEU 5 1.963 -1.249 -5.702
44 3HD2 LEU 5 3HD2 LEU 5 1.420 -2.077 -7.181
45 H VAL 6 H VAL 6 0.936 -0.517 -2.915
46 HA VAL 6 HA VAL 6 2.927 1.389 -3.932
47 HB VAL 6 HB VAL 6 2.173 1.799 -1.641
48 1HG1 VAL 6 1HG1 VAL 6 3.165 -1.023 -1.118
49 2HG1 VAL 6 2HG1 VAL 6 2.778 0.163 0.152
50 3HG1 VAL 6 3HG1 VAL 6 1.502 -0.412 -0.946
51 1HG2 VAL 6 1HG2 VAL 6 4.598 2.118 -2.465
52 2HG2 VAL 6 2HG2 VAL 6 4.298 2.152 -0.712
53 3HG2 VAL 6 3HG2 VAL 6 4.978 0.691 -1.469
54 H ASP 7 H ASP 7 5.073 0.637 -4.309
55 HA ASP 7 HA ASP 7 5.000 -1.929 -5.419
56 1HB ASP 7 1HB ASP 7 6.446 -0.572 -6.610
57 2HB ASP 7 2HB ASP 7 6.941 0.327 -5.190
58 H LYS 8 H LYS 8 6.162 -3.877 -4.692
59 HA LYS 8 HA LYS 8 6.070 -3.803 -1.783
60 1HB LYS 8 1HB LYS 8 4.954 -5.481 -3.784
61 2HB LYS 8 2HB LYS 8 6.104 -6.459 -2.892
62 1HG LYS 8 1HG LYS 8 4.011 -4.704 -1.530
63 2HG LYS 8 2HG LYS 8 3.729 -6.386 -1.929
64 1HD LYS 8 1HD LYS 8 6.082 -5.452 -0.224
65 2HD LYS 8 2HD LYS 8 4.545 -5.946 0.457
66 1HE LYS 8 1HE LYS 8 5.197 -8.114 0.348
67 2HE LYS 8 2HE LYS 8 5.301 -7.997 -1.396
68 1HZ LYS 8 1HZ LYS 8 7.540 -7.108 -1.112
69 2HZ LYS 8 2HZ LYS 8 7.435 -7.316 0.504
70 3HZ LYS 8 3HZ LYS 8 7.400 -8.611 -0.489
71 H ASN 9 H ASN 9 8.423 -3.438 -4.046
72 HA ASN 9 HA ASN 9 10.321 -4.972 -2.486
73 1HB ASN 9 1HB ASN 9 10.260 -3.771 -5.202
74 2HB ASN 9 2HB ASN 9 11.768 -3.463 -4.363
75 1HD2 ASN 9 1HD2 ASN 9 12.890 -6.806 -4.244
76 2HD2 ASN 9 2HD2 ASN 9 12.967 -5.243 -3.502
77 H THR 10 H THR 10 10.178 -1.628 -3.964
78 HA THR 10 HA THR 10 11.756 -0.703 -1.658
79 HB THR 10 HB THR 10 12.217 1.147 -3.585
80 HG1 THR 10 HG1 THR 10 10.734 0.063 -5.062
81 1HG2 THR 10 1HG2 THR 10 13.417 -1.673 -3.663
82 2HG2 THR 10 2HG2 THR 10 14.139 -0.215 -4.386
83 3HG2 THR 10 3HG2 THR 10 13.991 -0.351 -2.617
84 H GLY 11 H GLY 11 8.662 -0.554 -3.146
85 1HA GLY 11 1HA GLY 11 6.885 0.795 -2.851
86 2HA GLY 11 2HA GLY 11 7.687 1.489 -1.455
87 H CYS 12 H CYS 12 8.969 1.429 -4.825
88 HA CYS 12 HA CYS 12 9.080 4.344 -4.637
89 1HB CYS 12 1HB CYS 12 11.040 2.409 -5.261
90 2HB CYS 12 2HB CYS 12 10.689 3.243 -6.761
91 H LYS 13 H LYS 13 6.903 4.742 -5.461
92 HA LYS 13 HA LYS 13 5.919 5.748 -7.180
93 1HB LYS 13 1HB LYS 13 8.387 5.743 -8.105
94 2HB LYS 13 2HB LYS 13 7.765 4.538 -9.214
95 1HG LYS 13 1HG LYS 13 6.014 6.073 -9.998
96 2HG LYS 13 2HG LYS 13 6.439 7.253 -8.775
97 1HD LYS 13 1HD LYS 13 8.736 7.448 -9.806
98 2HD LYS 13 2HD LYS 13 8.242 6.331 -11.063
99 1HE LYS 13 1HE LYS 13 6.459 7.885 -11.796
100 2HE LYS 13 2HE LYS 13 6.834 8.981 -10.482
101 1HZ LYS 13 1HZ LYS 13 8.697 8.232 -12.628
102 2HZ LYS 13 2HZ LYS 13 7.881 9.644 -12.533
103 3HZ LYS 13 3HZ LYS 13 9.017 9.280 -11.417
104 H TYR 14 H TYR 14 4.158 5.218 -8.559
105 HA TYR 14 HA TYR 14 4.034 2.540 -9.628
106 1HB TYR 14 1HB TYR 14 3.146 2.423 -7.244
107 2HB TYR 14 2HB TYR 14 2.044 3.738 -7.599
108 HD1 TYR 14 HD1 TYR 14 2.893 0.635 -9.534
109 HD2 TYR 14 HD2 TYR 14 -0.124 2.902 -7.517
110 HE1 TYR 14 HE1 TYR 14 1.128 -1.037 -10.280
111 HE2 TYR 14 HE2 TYR 14 -1.879 1.222 -8.269
112 HH TYR 14 HH TYR 14 -0.962 -1.560 -10.287
113 H GLU 15 H GLU 15 4.213 4.087 -11.543
114 HA GLU 15 HA GLU 15 1.730 5.573 -11.895
115 1HB GLU 15 1HB GLU 15 4.593 6.551 -12.199
116 2HB GLU 15 2HB GLU 15 3.258 7.369 -12.988
117 1HG GLU 15 1HG GLU 15 2.158 7.793 -10.838
118 2HG GLU 15 2HG GLU 15 3.322 6.796 -9.990
119 H CYS 16 H CYS 16 1.390 6.263 -14.255
120 HA CYS 16 HA CYS 16 2.236 3.981 -15.880
121 1HB CYS 16 1HB CYS 16 -0.215 5.706 -16.269
122 2HB CYS 16 2HB CYS 16 0.189 4.228 -17.118
123 H LEU 17 H LEU 17 2.174 4.613 -18.370
124 HA LEU 17 HA LEU 17 3.843 6.916 -18.703
125 1HB LEU 17 1HB LEU 17 2.652 5.012 -20.724
126 2HB LEU 17 2HB LEU 17 3.872 6.226 -21.055
127 HG LEU 17 HG LEU 17 4.242 3.894 -19.154
128 1HD1 LEU 17 1HD1 LEU 17 3.961 3.096 -21.441
129 2HD1 LEU 17 2HD1 LEU 17 5.213 4.227 -22.006
130 3HD1 LEU 17 3HD1 LEU 17 5.645 2.900 -20.902
131 1HD2 LEU 17 1HD2 LEU 17 6.127 6.032 -20.161
132 2HD2 LEU 17 2HD2 LEU 17 5.682 5.652 -18.481
133 3HD2 LEU 17 3HD2 LEU 17 6.678 4.513 -19.418
134 H LYS 18 H LYS 18 0.545 5.913 -19.861
135 HA LYS 18 HA LYS 18 -0.157 8.749 -19.636
136 1HB LYS 18 1HB LYS 18 -1.040 6.882 -21.856
137 2HB LYS 18 2HB LYS 18 -1.621 8.516 -21.606
138 1HG LYS 18 1HG LYS 18 0.772 9.340 -21.811
139 2HG LYS 18 2HG LYS 18 1.264 7.702 -22.199
140 1HD LYS 18 1HD LYS 18 -0.450 7.760 -24.117
141 2HD LYS 18 2HD LYS 18 -0.639 9.473 -23.796
142 1HE LYS 18 1HE LYS 18 1.998 8.098 -24.502
143 2HE LYS 18 2HE LYS 18 1.023 9.039 -25.614
144 1HZ LYS 18 1HZ LYS 18 1.280 10.894 -23.985
145 2HZ LYS 18 2HZ LYS 18 2.413 10.000 -23.220
146 3HZ LYS 18 3HZ LYS 18 2.645 10.461 -24.769
147 H LEU 19 H LEU 19 -2.669 8.960 -19.486
148 HA LEU 19 HA LEU 19 -3.588 6.997 -17.578
149 1HB LEU 19 1HB LEU 19 -5.382 8.496 -17.168
150 2HB LEU 19 2HB LEU 19 -3.887 9.408 -17.212
151 HG LEU 19 HG LEU 19 -4.828 9.565 -19.832
152 1HD1 LEU 19 1HD1 LEU 19 -6.982 8.628 -19.139
153 2HD1 LEU 19 2HD1 LEU 19 -7.156 9.916 -17.923
154 3HD1 LEU 19 3HD1 LEU 19 -7.140 10.323 -19.655
155 1HD2 LEU 19 1HD2 LEU 19 -3.705 11.331 -18.552
156 2HD2 LEU 19 2HD2 LEU 19 -5.199 11.918 -19.320
157 3HD2 LEU 19 3HD2 LEU 19 -5.176 11.559 -17.576
158 H GLY 20 H GLY 20 -5.428 5.645 -17.847
159 1HA GLY 20 1HA GLY 20 -7.128 4.666 -19.087
160 2HA GLY 20 2HA GLY 20 -6.555 5.462 -20.540
161 H ASP 21 H ASP 21 -3.716 4.465 -19.224
162 HA ASP 21 HA ASP 21 -3.583 2.258 -20.997
163 1HB ASP 21 1HB ASP 21 -1.589 3.330 -18.945
164 2HB ASP 21 2HB ASP 21 -1.213 2.101 -20.137
165 H ASN 22 H ASN 22 -5.457 1.147 -19.548
166 HA ASN 22 HA ASN 22 -4.642 0.858 -16.813
167 1HB ASN 22 1HB ASN 22 -7.036 0.163 -16.470
168 2HB ASN 22 2HB ASN 22 -6.913 1.708 -17.288
169 1HD2 ASN 22 1HD2 ASN 22 -9.299 -0.855 -18.897
170 2HD2 ASN 22 2HD2 ASN 22 -8.964 -0.470 -17.241
171 H ASP 23 H ASP 23 -3.108 -0.806 -18.495
172 HA ASP 23 HA ASP 23 -4.337 -3.415 -18.142
173 1HB ASP 23 1HB ASP 23 -3.527 -3.410 -20.323
174 2HB ASP 23 2HB ASP 23 -2.245 -2.272 -19.960
175 H TYR 24 H TYR 24 -1.090 -1.757 -17.898
176 HA TYR 24 HA TYR 24 0.110 -3.703 -16.318
177 1HB TYR 24 1HB TYR 24 0.457 -0.647 -16.544
178 2HB TYR 24 2HB TYR 24 1.663 -1.704 -15.835
179 HD1 TYR 24 HD1 TYR 24 2.538 -3.649 -17.389
180 HD2 TYR 24 HD2 TYR 24 0.592 -0.116 -18.813
181 HE1 TYR 24 HE1 TYR 24 3.576 -3.994 -19.684
182 HE2 TYR 24 HE2 TYR 24 1.636 -0.472 -21.103
183 HH TYR 24 HH TYR 24 2.851 -1.751 -22.345
184 H CYS 25 H CYS 25 -1.908 -0.862 -15.473
185 HA CYS 25 HA CYS 25 -1.253 -0.814 -12.763
186 1HB CYS 25 1HB CYS 25 -3.830 0.056 -14.089
187 2HB CYS 25 2HB CYS 25 -3.283 0.518 -12.489
188 H LEU 26 H LEU 26 -4.015 -2.310 -14.602
189 HA LEU 26 HA LEU 26 -5.216 -3.545 -12.429
190 1HB LEU 26 1HB LEU 26 -5.659 -3.310 -15.140
191 2HB LEU 26 2HB LEU 26 -5.349 -5.025 -14.950
192 HG LEU 26 HG LEU 26 -7.307 -3.670 -13.117
193 1HD1 LEU 26 1HD1 LEU 26 -7.920 -4.585 -15.941
194 2HD1 LEU 26 2HD1 LEU 26 -9.125 -4.135 -14.711
195 3HD1 LEU 26 3HD1 LEU 26 -7.982 -2.916 -15.325
196 1HD2 LEU 26 1HD2 LEU 26 -7.019 -6.474 -14.224
197 2HD2 LEU 26 2HD2 LEU 26 -6.737 -5.928 -12.554
198 3HD2 LEU 26 3HD2 LEU 26 -8.384 -5.920 -13.227
199 H ARG 27 H ARG 27 -2.550 -4.655 -14.611
200 HA ARG 27 HA ARG 27 -2.860 -7.303 -13.833
201 1HB ARG 27 1HB ARG 27 -0.950 -5.705 -15.476
202 2HB ARG 27 2HB ARG 27 -0.258 -7.164 -14.795
203 1HG ARG 27 1HG ARG 27 -2.453 -8.333 -15.686
204 2HG ARG 27 2HG ARG 27 -2.618 -6.902 -16.686
205 1HD ARG 27 1HD ARG 27 -0.054 -8.557 -16.605
206 2HD ARG 27 2HD ARG 27 -1.348 -8.880 -17.742
207 HE ARG 27 HE ARG 27 -0.891 -6.169 -18.074
208 1HH1 ARG 27 2HH1 ARG 27 1.002 -9.111 -18.414
209 2HH1 ARG 27 1HH1 ARG 27 2.241 -8.361 -19.364
210 1HH2 ARG 27 1HH2 ARG 27 0.711 -5.188 -19.386
211 2HH2 ARG 27 2HH2 ARG 27 2.052 -6.123 -19.955
212 H GLU 28 H GLU 28 -0.576 -4.677 -12.850
213 HA GLU 28 HA GLU 28 0.997 -6.304 -11.226
214 1HB GLU 28 1HB GLU 28 0.508 -3.303 -11.301
215 2HB GLU 28 2HB GLU 28 1.642 -4.029 -10.179
216 1HG GLU 28 1HG GLU 28 1.740 -4.313 -13.220
217 2HG GLU 28 2HG GLU 28 2.770 -3.261 -12.269
218 H CYS 29 H CYS 29 -1.914 -4.262 -10.590
219 HA CYS 29 HA CYS 29 -2.098 -4.728 -7.871
220 1HB CYS 29 1HB CYS 29 -3.520 -3.285 -9.601
221 2HB CYS 29 2HB CYS 29 -4.581 -4.678 -9.522
222 H LYS 30 H LYS 30 -2.830 -6.730 -10.742
223 HA LYS 30 HA LYS 30 -4.455 -8.567 -9.263
224 1HB LYS 30 1HB LYS 30 -4.105 -7.860 -11.962
225 2HB LYS 30 2HB LYS 30 -3.552 -9.518 -11.853
226 1HG LYS 30 1HG LYS 30 -5.667 -10.195 -10.762
227 2HG LYS 30 2HG LYS 30 -6.217 -8.532 -10.730
228 1HD LYS 30 1HD LYS 30 -6.136 -8.467 -13.239
229 2HD LYS 30 2HD LYS 30 -5.615 -10.140 -13.259
230 1HE LYS 30 1HE LYS 30 -7.919 -10.411 -13.544
231 2HE LYS 30 2HE LYS 30 -7.798 -10.555 -11.801
232 1HZ LYS 30 1HZ LYS 30 -8.215 -8.110 -11.749
233 2HZ LYS 30 2HZ LYS 30 -8.599 -8.190 -13.334
234 3HZ LYS 30 3HZ LYS 30 -9.479 -9.020 -12.238
235 H GLN 31 H GLN 31 -1.053 -8.104 -9.923
236 HA GLN 31 HA GLN 31 -0.542 -10.812 -9.011
237 1HB GLN 31 1HB GLN 31 1.305 -8.680 -10.165
238 2HB GLN 31 2HB GLN 31 1.866 -10.234 -9.581
239 1HG GLN 31 1HG GLN 31 0.599 -11.435 -11.259
240 2HG GLN 31 2HG GLN 31 -0.319 -10.006 -11.693
241 1HE2 GLN 31 1HE2 GLN 31 2.362 -8.383 -13.452
242 2HE2 GLN 31 2HE2 GLN 31 0.893 -8.153 -12.563
243 H GLN 32 H GLN 32 -1.719 -8.862 -7.129
244 HA GLN 32 HA GLN 32 -0.228 -10.198 -5.216
245 1HB GLN 32 1HB GLN 32 0.403 -8.153 -3.804
246 2HB GLN 32 2HB GLN 32 1.402 -8.458 -5.211
247 1HG GLN 32 1HG GLN 32 0.090 -6.783 -6.517
248 2HG GLN 32 2HG GLN 32 -0.931 -6.486 -5.124
249 1HE2 GLN 32 1HE2 GLN 32 1.283 -4.426 -3.382
250 2HE2 GLN 32 2HE2 GLN 32 -0.146 -5.403 -3.335
251 H TYR 33 H TYR 33 -2.648 -7.689 -6.085
252 HA TYR 33 HA TYR 33 -4.382 -9.071 -4.154
253 1HB TYR 33 1HB TYR 33 -4.731 -6.526 -5.859
254 2HB TYR 33 2HB TYR 33 -5.880 -7.085 -4.660
255 HD1 TYR 33 HD1 TYR 33 -4.569 -7.592 -2.254
256 HD2 TYR 33 HD2 TYR 33 -3.496 -4.687 -5.205
257 HE1 TYR 33 HE1 TYR 33 -3.374 -6.220 -0.478
258 HE2 TYR 33 HE2 TYR 33 -2.305 -3.324 -3.419
259 HH TYR 33 HH TYR 33 -1.705 -4.599 -0.281
260 H GLY 34 H GLY 34 -3.504 -10.528 -6.424
261 1HA GLY 34 1HA GLY 34 -5.074 -10.580 -8.644
262 2HA GLY 34 2HA GLY 34 -4.524 -12.006 -7.787
263 H LYS 35 H LYS 35 -6.040 -11.161 -5.266
264 HA LYS 35 HA LYS 35 -8.539 -12.348 -5.945
265 1HB LYS 35 1HB LYS 35 -7.457 -11.124 -3.392
266 2HB LYS 35 2HB LYS 35 -9.037 -11.871 -3.517
267 1HG LYS 35 1HG LYS 35 -7.993 -14.009 -4.248
268 2HG LYS 35 2HG LYS 35 -6.406 -13.268 -4.194
269 1HD LYS 35 1HD LYS 35 -6.694 -12.837 -1.741
270 2HD LYS 35 2HD LYS 35 -8.276 -13.587 -1.798
271 1HE LYS 35 1HE LYS 35 -7.241 -15.735 -2.548
272 2HE LYS 35 2HE LYS 35 -5.657 -14.987 -2.521
273 1HZ LYS 35 1HZ LYS 35 -7.425 -15.281 -0.193
274 2HZ LYS 35 2HZ LYS 35 -6.101 -16.184 -0.501
275 3HZ LYS 35 3HZ LYS 35 -5.944 -14.593 -0.171
276 H GLY 36 H GLY 36 -8.726 -10.511 -7.743
277 1HA GLY 36 1HA GLY 36 -10.595 -9.368 -8.383
278 2HA GLY 36 2HA GLY 36 -11.065 -9.164 -6.706
279 H ALA 37 H ALA 37 -8.331 -8.147 -8.901
280 HA ALA 37 HA ALA 37 -8.711 -5.432 -7.850
281 1HB ALA 37 1HB ALA 37 -6.429 -6.446 -7.686
282 2HB ALA 37 2HB ALA 37 -6.404 -6.600 -9.459
283 3HB ALA 37 3HB ALA 37 -6.472 -4.988 -8.705
284 H GLY 38 H GLY 38 -9.249 -3.738 -9.257
285 1HA GLY 38 1HA GLY 38 -9.922 -4.554 -12.014
286 2HA GLY 38 2HA GLY 38 -11.116 -3.804 -10.973
287 H GLY 39 H GLY 39 -8.139 -2.536 -10.029
288 1HA GLY 39 1HA GLY 39 -8.902 0.050 -10.843
289 2HA GLY 39 2HA GLY 39 -7.384 -0.419 -10.104
290 H TYR 40 H TYR 40 -6.391 1.236 -11.656
291 HA TYR 40 HA TYR 40 -6.054 0.461 -14.354
292 1HB TYR 40 1HB TYR 40 -7.715 2.439 -15.040
293 2HB TYR 40 2HB TYR 40 -8.400 0.868 -14.673
294 HD1 TYR 40 HD1 TYR 40 -7.390 3.974 -12.809
295 HD2 TYR 40 HD2 TYR 40 -10.263 0.842 -13.301
296 HE1 TYR 40 HE1 TYR 40 -8.852 5.022 -11.011
297 HE2 TYR 40 HE2 TYR 40 -11.715 1.901 -11.501
298 HH TYR 40 HH TYR 40 -10.679 4.893 -9.879
299 H CYS 41 H CYS 41 -5.658 2.693 -15.708
300 HA CYS 41 HA CYS 41 -3.732 4.088 -14.036
301 1HB CYS 41 1HB CYS 41 -4.035 3.740 -17.011
302 2HB CYS 41 2HB CYS 41 -2.998 4.983 -16.341
303 H TYR 42 H TYR 42 -4.741 5.815 -12.992
304 HA TYR 42 HA TYR 42 -6.584 7.495 -14.432
305 1HB TYR 42 1HB TYR 42 -5.633 6.933 -11.737
306 2HB TYR 42 2HB TYR 42 -5.333 8.633 -12.038
307 HD1 TYR 42 HD1 TYR 42 -7.708 9.248 -13.804
308 HD2 TYR 42 HD2 TYR 42 -7.394 7.011 -10.170
309 HE1 TYR 42 HE1 TYR 42 -10.138 9.766 -13.266
310 HE2 TYR 42 HE2 TYR 42 -9.825 7.538 -9.645
311 HH TYR 42 HH TYR 42 -11.769 9.504 -11.883
312 H ALA 43 H ALA 43 -5.756 10.057 -13.561
313 HA ALA 43 HA ALA 43 -4.092 10.857 -15.599
314 1HB ALA 43 1HB ALA 43 -4.633 12.125 -12.884
315 2HB ALA 43 2HB ALA 43 -3.909 12.964 -14.276
316 3HB ALA 43 3HB ALA 43 -5.580 12.359 -14.372
317 H PHE 44 H PHE 44 -2.296 9.364 -15.711
318 HA PHE 44 HA PHE 44 -0.175 8.842 -15.403
319 1HB PHE 44 1HB PHE 44 -0.054 11.524 -13.906
320 2HB PHE 44 2HB PHE 44 1.267 10.766 -14.773
321 HD1 PHE 44 HD1 PHE 44 0.743 10.310 -17.350
322 HD2 PHE 44 HD2 PHE 44 -1.186 13.236 -14.957
323 HE1 PHE 44 HE1 PHE 44 0.124 11.593 -19.417
324 HE2 PHE 44 HE2 PHE 44 -1.803 14.519 -17.023
325 HZ PHE 44 HZ PHE 44 -1.141 13.683 -19.228
326 H ALA 45 H ALA 45 -2.024 7.937 -13.304
327 HA ALA 45 HA ALA 45 0.150 6.924 -11.759
328 1HB ALA 45 1HB ALA 45 -2.049 8.535 -10.403
329 2HB ALA 45 2HB ALA 45 -0.924 7.451 -9.550
330 3HB ALA 45 3HB ALA 45 -0.304 8.886 -10.400
331 H CYS 46 H CYS 46 -0.339 4.844 -10.945
332 HA CYS 46 HA CYS 46 -2.818 3.751 -11.939
333 1HB CYS 46 1HB CYS 46 -0.391 2.495 -10.651
334 2HB CYS 46 2HB CYS 46 -1.831 1.592 -11.077
335 H TRP 47 H TRP 47 -4.588 3.290 -10.633
336 HA TRP 47 HA TRP 47 -4.174 3.530 -7.735
337 1HB TRP 47 1HB TRP 47 -5.076 5.628 -8.401
338 2HB TRP 47 2HB TRP 47 -6.276 4.872 -9.431
339 HD1 TRP 47 HD1 TRP 47 -8.018 3.104 -7.797
340 HE1 TRP 47 HE1 TRP 47 -9.299 3.708 -5.570
341 HE3 TRP 47 HE3 TRP 47 -5.058 7.042 -6.544
342 HZ2 TRP 47 HZ2 TRP 47 -8.939 5.721 -3.580
343 HZ3 TRP 47 HZ3 TRP 47 -5.591 8.274 -4.443
344 HH2 TRP 47 HH2 TRP 47 -7.455 7.671 -2.982
345 H CYS 48 H CYS 48 -5.134 1.871 -6.581
346 HA CYS 48 HA CYS 48 -6.624 -0.049 -8.198
347 1HB CYS 48 1HB CYS 48 -5.004 -0.336 -5.671
348 2HB CYS 48 2HB CYS 48 -6.117 -1.578 -6.208
349 H THR 49 H THR 49 -8.649 -0.949 -7.277
350 HA THR 49 HA THR 49 -9.955 0.663 -5.281
351 HB THR 49 HB THR 49 -9.932 2.315 -7.061
352 HG1 THR 49 HG1 THR 49 -12.219 2.406 -7.243
353 1HG2 THR 49 1HG2 THR 49 -10.540 -0.091 -8.792
354 2HG2 THR 49 2HG2 THR 49 -11.241 1.478 -9.253
355 3HG2 THR 49 3HG2 THR 49 -9.474 1.294 -9.130
356 H HIS 50 H HIS 50 -9.816 -1.833 -4.814
357 HA HIS 50 HA HIS 50 -12.367 -2.883 -5.147
358 1HB HIS 50 1HB HIS 50 -11.356 -3.095 -7.525
359 2HB HIS 50 2HB HIS 50 -10.380 -4.384 -6.848
360 HD1 HIS 50 HD1 HIS 50 -12.056 -6.213 -5.380
361 HD2 HIS 50 HD2 HIS 50 -13.642 -4.075 -8.623
362 HE1 HIS 50 HE1 HIS 50 -14.125 -7.499 -6.142
363 H LEU 51 H LEU 51 -10.762 -2.452 -2.915
364 HA LEU 51 HA LEU 51 -9.139 -4.885 -2.627
365 1HB LEU 51 1HB LEU 51 -8.566 -2.085 -1.645
366 2HB LEU 51 2HB LEU 51 -7.572 -3.498 -1.347
367 HG LEU 51 HG LEU 51 -8.176 -2.691 -4.177
368 1HD1 LEU 51 1HD1 LEU 51 -6.421 -1.237 -2.243
369 2HD1 LEU 51 2HD1 LEU 51 -5.865 -1.436 -3.923
370 3HD1 LEU 51 3HD1 LEU 51 -7.411 -0.620 -3.588
371 1HD2 LEU 51 1HD2 LEU 51 -7.077 -4.839 -3.762
372 2HD2 LEU 51 2HD2 LEU 51 -5.999 -3.706 -4.613
373 3HD2 LEU 51 3HD2 LEU 51 -5.777 -4.008 -2.873
374 H TYR 52 H TYR 52 -8.609 -5.327 -0.205
375 HA TYR 52 HA TYR 52 -11.059 -4.856 1.346
376 1HB TYR 52 1HB TYR 52 -9.433 -6.802 2.592
377 2HB TYR 52 2HB TYR 52 -10.786 -7.164 1.539
378 HD1 TYR 52 HD1 TYR 52 -7.103 -6.756 1.659
379 HD2 TYR 52 HD2 TYR 52 -10.451 -8.067 -0.659
380 HE1 TYR 52 HE1 TYR 52 -5.529 -7.890 0.015
381 HE2 TYR 52 HE2 TYR 52 -8.866 -9.195 -2.296
382 HH TYR 52 HH TYR 52 -6.630 -9.068 -3.012
383 H GLU 53 H GLU 53 -10.197 -5.346 3.904
384 HA GLU 53 HA GLU 53 -9.227 -2.852 4.545
385 1HB GLU 53 1HB GLU 53 -9.388 -5.419 6.179
386 2HB GLU 53 2HB GLU 53 -8.964 -3.868 6.877
387 1HG GLU 53 1HG GLU 53 -11.244 -3.751 7.217
388 2HG GLU 53 2HG GLU 53 -11.214 -3.097 5.592
389 H GLN 54 H GLN 54 -7.566 -5.816 3.668
390 HA GLN 54 HA GLN 54 -5.070 -4.797 4.694
391 1HB GLN 54 1HB GLN 54 -5.949 -7.396 3.413
392 2HB GLN 54 2HB GLN 54 -4.243 -6.998 3.495
393 1HG GLN 54 1HG GLN 54 -6.085 -6.969 5.930
394 2HG GLN 54 2HG GLN 54 -5.139 -8.367 5.460
395 1HE2 GLN 54 1HE2 GLN 54 -3.348 -6.292 8.038
396 2HE2 GLN 54 2HE2 GLN 54 -4.919 -7.011 7.904
397 H ALA 55 H ALA 55 -6.618 -3.358 2.514
398 HA ALA 55 HA ALA 55 -4.877 -3.330 0.303
399 1HB ALA 55 1HB ALA 55 -7.062 -2.191 0.366
400 2HB ALA 55 2HB ALA 55 -6.464 -1.099 1.639
401 3HB ALA 55 3HB ALA 55 -5.754 -1.037 0.007
402 H ILE 56 H ILE 56 -2.746 -2.790 0.180
403 HA ILE 56 HA ILE 56 -1.750 -0.966 2.257
404 HB ILE 56 HB ILE 56 -0.134 -2.890 0.588
405 1HG1 ILE 56 1HG1 ILE 56 -1.782 -4.056 2.071
406 2HG1 ILE 56 2HG1 ILE 56 -0.101 -4.419 2.409
407 1HG2 ILE 56 1HG2 ILE 56 0.511 -1.141 2.970
408 2HG2 ILE 56 2HG2 ILE 56 1.556 -2.468 2.407
409 3HG2 ILE 56 3HG2 ILE 56 1.219 -1.085 1.338
410 1HD1 ILE 56 1HD1 ILE 56 -1.718 -2.310 3.913
411 2HD1 ILE 56 2HD1 ILE 56 -1.469 -3.979 4.480
412 3HD1 ILE 56 3HD1 ILE 56 -0.079 -2.879 4.312
413 H VAL 57 H VAL 57 -1.185 1.058 1.610
414 HA VAL 57 HA VAL 57 -0.938 1.489 -1.274
415 HB VAL 57 HB VAL 57 -3.061 2.165 -1.280
416 1HG1 VAL 57 1HG1 VAL 57 -2.898 2.465 1.736
417 2HG1 VAL 57 2HG1 VAL 57 -4.369 2.743 0.772
418 3HG1 VAL 57 3HG1 VAL 57 -3.629 1.124 0.820
419 1HG2 VAL 57 1HG2 VAL 57 -1.892 4.481 0.299
420 2HG2 VAL 57 2HG2 VAL 57 -1.912 4.299 -1.472
421 3HG2 VAL 57 3HG2 VAL 57 -3.439 4.514 -0.582
422 H TRP 58 H TRP 58 0.123 3.565 -1.810
423 HA TRP 58 HA TRP 58 2.480 3.551 -0.328
424 1HB TRP 58 1HB TRP 58 2.444 4.010 -2.691
425 2HB TRP 58 2HB TRP 58 1.465 5.444 -2.453
426 HD1 TRP 58 HD1 TRP 58 5.092 4.268 -2.267
427 HE1 TRP 58 HE1 TRP 58 6.755 6.278 -1.868
428 HE3 TRP 58 HE3 TRP 58 1.501 7.731 -1.284
429 HZ2 TRP 58 HZ2 TRP 58 6.389 9.029 -1.202
430 HZ3 TRP 58 HZ3 TRP 58 2.238 10.056 -0.769
431 HH2 TRP 58 HH2 TRP 58 4.589 10.726 -0.718
432 HA PRO 59 HA PRO 59 3.970 4.525 0.191
433 1HB PRO 59 1HB PRO 59 5.531 5.232 2.319
434 2HB PRO 59 2HB PRO 59 5.505 6.124 0.812
435 1HG PRO 59 1HG PRO 59 4.280 6.835 3.407
436 2HG PRO 59 2HG PRO 59 4.632 7.872 2.039
437 1HD PRO 59 1HD PRO 59 2.063 6.844 2.797
438 2HD PRO 59 2HD PRO 59 2.435 7.784 1.366
439 H LEU 60 H LEU 60 5.437 2.896 1.505
440 HA LEU 60 HA LEU 60 3.709 1.300 3.120
441 1HB LEU 60 1HB LEU 60 6.705 1.176 2.752
442 2HB LEU 60 2HB LEU 60 5.694 -0.062 3.471
443 HG LEU 60 HG LEU 60 4.941 0.752 0.722
444 1HD1 LEU 60 1HD1 LEU 60 7.402 0.834 0.592
445 2HD1 LEU 60 2HD1 LEU 60 7.477 -0.835 1.205
446 3HD1 LEU 60 3HD1 LEU 60 6.711 -0.498 -0.366
447 1HD2 LEU 60 1HD2 LEU 60 5.285 -1.925 2.100
448 2HD2 LEU 60 2HD2 LEU 60 3.761 -1.033 1.874
449 3HD2 LEU 60 3HD2 LEU 60 4.634 -1.675 0.463
450 HA PRO 61 HA PRO 61 3.654 3.296 6.580
451 1HB PRO 61 1HB PRO 61 3.401 1.438 8.568
452 2HB PRO 61 2HB PRO 61 2.129 1.787 7.415
453 1HG PRO 61 1HG PRO 61 3.935 -0.551 7.531
454 2HG PRO 61 2HG PRO 61 2.415 -0.380 6.677
455 1HD PRO 61 1HD PRO 61 5.044 -0.281 5.536
456 2HD PRO 61 2HD PRO 61 3.529 0.005 4.703
457 H ASN 62 H ASN 62 6.237 0.970 6.998
458 HA ASN 62 HA ASN 62 7.760 3.199 7.998
459 1HB ASN 62 1HB ASN 62 8.808 1.595 9.755
460 2HB ASN 62 2HB ASN 62 7.210 2.217 10.117
461 1HD2 ASN 62 1HD2 ASN 62 5.496 -0.823 9.923
462 2HD2 ASN 62 2HD2 ASN 62 5.403 0.906 9.952
463 H LYS 63 H LYS 63 7.818 2.056 5.413
464 HA LYS 63 HA LYS 63 10.595 1.732 5.302
465 1HB LYS 63 1HB LYS 63 10.558 -0.552 4.156
466 2HB LYS 63 2HB LYS 63 10.436 -0.523 5.904
467 1HG LYS 63 1HG LYS 63 7.872 -0.578 5.599
468 2HG LYS 63 2HG LYS 63 8.167 -0.912 3.904
469 1HD LYS 63 1HD LYS 63 8.198 -3.106 4.543
470 2HD LYS 63 2HD LYS 63 9.831 -2.770 5.083
471 1HE LYS 63 1HE LYS 63 7.350 -2.459 6.841
472 2HE LYS 63 2HE LYS 63 8.378 -3.878 6.838
473 1HZ LYS 63 1HZ LYS 63 10.233 -2.376 7.398
474 2HZ LYS 63 2HZ LYS 63 9.171 -1.148 7.567
475 3HZ LYS 63 3HZ LYS 63 9.082 -2.446 8.554
476 H ARG 64 H ARG 64 9.228 3.717 4.262
477 HA ARG 64 HA ARG 64 8.252 3.249 1.701
478 1HB ARG 64 1HB ARG 64 8.554 5.710 1.395
479 2HB ARG 64 2HB ARG 64 7.813 5.347 2.941
480 1HG ARG 64 1HG ARG 64 9.745 5.890 4.163
481 2HG ARG 64 2HG ARG 64 10.822 5.539 2.825
482 1HD ARG 64 1HD ARG 64 9.353 7.620 1.760
483 2HD ARG 64 2HD ARG 64 9.344 8.055 3.458
484 HE ARG 64 HE ARG 64 11.723 7.873 1.699
485 1HH1 ARG 64 2HH1 ARG 64 10.706 7.835 5.050
486 2HH1 ARG 64 1HH1 ARG 64 11.982 8.871 5.597
487 1HH2 ARG 64 1HH2 ARG 64 13.457 9.213 2.415
488 2HH2 ARG 64 2HH2 ARG 64 13.630 9.551 4.104
489 H CYS 65 H CYS 65 9.404 4.274 -0.347
490 HA CYS 65 HA CYS 65 12.019 3.338 -0.670
491 1HB CYS 65 1HB CYS 65 10.243 3.923 -2.436
492 2HB CYS 65 2HB CYS 65 10.790 5.579 -2.265
493 H SER 66 H SER 66 14.037 4.518 -0.643
494 HA SER 66 HA SER 66 14.278 6.128 1.546
495 1HB SER 66 1HB SER 66 16.587 6.535 0.774
496 2HB SER 66 2HB SER 66 16.143 4.854 0.548
497 HG SER 66 HG SER 66 16.226 5.066 -1.609
498 1HN NH2 67 1H SER 66 14.742 7.109 -1.873
499 2HN NH2 67 2H SER 66 14.346 8.781 -1.664
No H/Q in entry = 499
Start of MODEL 8
1 1H LYS 1 1H LYS 1 -10.814 2.361 1.209
2 2H LYS 1 2H LYS 1 -10.441 2.542 2.812
3 3H LYS 1 3H LYS 1 -9.676 3.470 1.674
4 HA LYS 1 HA LYS 1 -8.117 1.962 2.161
5 1HB LYS 1 1HB LYS 1 -8.763 -0.531 2.263
6 2HB LYS 1 2HB LYS 1 -9.168 0.497 3.623
7 1HG LYS 1 1HG LYS 1 -11.123 -0.854 3.104
8 2HG LYS 1 2HG LYS 1 -11.484 0.802 2.659
9 1HD LYS 1 1HD LYS 1 -11.133 0.353 0.307
10 2HD LYS 1 2HD LYS 1 -10.386 -1.197 0.639
11 1HE LYS 1 1HE LYS 1 -12.533 -2.090 1.495
12 2HE LYS 1 2HE LYS 1 -13.296 -0.525 1.295
13 1HZ LYS 1 1HZ LYS 1 -12.797 -0.697 -1.078
14 2HZ LYS 1 2HZ LYS 1 -12.198 -2.200 -0.855
15 3HZ LYS 1 3HZ LYS 1 -13.777 -1.899 -0.566
16 H GLU 2 H GLU 2 -9.387 3.143 -0.277
17 HA GLU 2 HA GLU 2 -8.021 1.269 -2.044
18 1HB GLU 2 1HB GLU 2 -10.465 2.985 -2.624
19 2HB GLU 2 2HB GLU 2 -9.475 2.312 -3.904
20 1HG GLU 2 1HG GLU 2 -10.050 0.082 -3.368
21 2HG GLU 2 2HG GLU 2 -10.474 0.477 -1.714
22 H GLY 3 H GLY 3 -6.815 2.335 -3.855
23 1HA GLY 3 1HA GLY 3 -6.206 4.994 -4.076
24 2HA GLY 3 2HA GLY 3 -5.279 4.455 -2.691
25 H TYR 4 H TYR 4 -3.394 5.021 -4.142
26 HA TYR 4 HA TYR 4 -3.045 3.468 -6.520
27 1HB TYR 4 1HB TYR 4 -1.131 5.177 -4.813
28 2HB TYR 4 2HB TYR 4 -0.866 4.747 -6.491
29 HD1 TYR 4 HD1 TYR 4 -3.128 5.386 -7.997
30 HD2 TYR 4 HD2 TYR 4 -1.720 7.388 -4.488
31 HE1 TYR 4 HE1 TYR 4 -4.319 7.512 -8.723
32 HE2 TYR 4 HE2 TYR 4 -2.915 9.507 -5.227
33 HH TYR 4 HH TYR 4 -4.792 9.558 -8.247
34 H LEU 5 H LEU 5 -2.034 1.524 -6.758
35 HA LEU 5 HA LEU 5 -1.509 0.029 -4.449
36 1HB LEU 5 1HB LEU 5 -1.272 -1.744 -5.852
37 2HB LEU 5 2HB LEU 5 -2.246 -0.666 -6.833
38 HG LEU 5 HG LEU 5 0.762 -0.931 -7.081
39 1HD1 LEU 5 1HD1 LEU 5 -0.498 -3.036 -7.619
40 2HD1 LEU 5 2HD1 LEU 5 -1.327 -2.133 -8.910
41 3HD1 LEU 5 3HD1 LEU 5 0.438 -2.349 -8.968
42 1HD2 LEU 5 1HD2 LEU 5 -1.309 0.475 -8.785
43 2HD2 LEU 5 2HD2 LEU 5 0.024 1.212 -7.862
44 3HD2 LEU 5 3HD2 LEU 5 0.378 0.190 -9.277
45 H VAL 6 H VAL 6 0.660 -1.190 -4.117
46 HA VAL 6 HA VAL 6 2.839 0.735 -4.399
47 HB VAL 6 HB VAL 6 1.730 1.352 -2.355
48 1HG1 VAL 6 1HG1 VAL 6 2.018 -1.558 -1.533
49 2HG1 VAL 6 2HG1 VAL 6 1.460 -0.235 -0.479
50 3HG1 VAL 6 3HG1 VAL 6 0.499 -0.704 -1.902
51 1HG2 VAL 6 1HG2 VAL 6 4.271 1.232 -2.496
52 2HG2 VAL 6 2HG2 VAL 6 3.571 1.266 -0.860
53 3HG2 VAL 6 3HG2 VAL 6 4.157 -0.268 -1.546
54 H ASP 7 H ASP 7 4.905 -0.217 -4.410
55 HA ASP 7 HA ASP 7 4.949 -3.017 -4.809
56 1HB ASP 7 1HB ASP 7 6.506 -1.580 -6.024
57 2HB ASP 7 2HB ASP 7 7.126 -0.900 -4.533
58 H LYS 8 H LYS 8 5.491 -4.611 -3.263
59 HA LYS 8 HA LYS 8 5.382 -3.774 -0.547
60 1HB LYS 8 1HB LYS 8 5.333 -6.337 -2.054
61 2HB LYS 8 2HB LYS 8 5.907 -6.421 -0.402
62 1HG LYS 8 1HG LYS 8 3.496 -6.749 -0.374
63 2HG LYS 8 2HG LYS 8 3.836 -5.191 0.352
64 1HD LYS 8 1HD LYS 8 3.092 -3.988 -1.566
65 2HD LYS 8 2HD LYS 8 3.251 -5.378 -2.621
66 1HE LYS 8 1HE LYS 8 1.299 -5.481 -0.302
67 2HE LYS 8 2HE LYS 8 0.852 -4.633 -1.769
68 1HZ LYS 8 1HZ LYS 8 1.778 -7.421 -1.686
69 2HZ LYS 8 2HZ LYS 8 0.214 -6.962 -1.787
70 3HZ LYS 8 3HZ LYS 8 1.247 -6.624 -3.008
71 H ASN 9 H ASN 9 7.911 -4.319 -2.885
72 HA ASN 9 HA ASN 9 9.868 -5.024 -0.963
73 1HB ASN 9 1HB ASN 9 9.732 -4.533 -3.904
74 2HB ASN 9 2HB ASN 9 11.270 -4.097 -3.185
75 1HD2 ASN 9 1HD2 ASN 9 12.116 -7.442 -3.883
76 2HD2 ASN 9 2HD2 ASN 9 12.159 -5.805 -4.446
77 H THR 10 H THR 10 9.873 -2.259 -3.346
78 HA THR 10 HA THR 10 11.657 -0.863 -1.537
79 HB THR 10 HB THR 10 11.985 0.573 -3.568
80 HG1 THR 10 HG1 THR 10 10.376 -1.221 -5.082
81 1HG2 THR 10 1HG2 THR 10 11.841 -2.396 -4.307
82 2HG2 THR 10 2HG2 THR 10 12.797 -1.151 -5.146
83 3HG2 THR 10 3HG2 THR 10 13.223 -1.631 -3.487
84 H GLY 11 H GLY 11 8.265 -0.927 -2.224
85 1HA GLY 11 1HA GLY 11 6.600 0.580 -2.091
86 2HA GLY 11 2HA GLY 11 7.458 1.211 -0.699
87 H CYS 12 H CYS 12 8.611 1.154 -4.121
88 HA CYS 12 HA CYS 12 8.872 4.038 -3.979
89 1HB CYS 12 1HB CYS 12 10.304 1.907 -5.271
90 2HB CYS 12 2HB CYS 12 9.763 3.053 -6.480
91 H LYS 13 H LYS 13 8.142 5.301 -6.010
92 HA LYS 13 HA LYS 13 5.379 4.994 -5.985
93 1HB LYS 13 1HB LYS 13 6.617 7.134 -6.238
94 2HB LYS 13 2HB LYS 13 7.081 6.663 -7.860
95 1HG LYS 13 1HG LYS 13 4.661 6.480 -8.494
96 2HG LYS 13 2HG LYS 13 4.205 6.968 -6.873
97 1HD LYS 13 1HD LYS 13 5.510 9.123 -7.220
98 2HD LYS 13 2HD LYS 13 5.791 8.638 -8.880
99 1HE LYS 13 1HE LYS 13 3.042 9.043 -7.602
100 2HE LYS 13 2HE LYS 13 3.832 10.175 -8.682
101 1HZ LYS 13 1HZ LYS 13 3.913 8.227 -10.274
102 2HZ LYS 13 2HZ LYS 13 2.811 7.510 -9.306
103 3HZ LYS 13 3HZ LYS 13 2.460 8.931 -10.030
104 H TYR 14 H TYR 14 3.909 4.013 -7.329
105 HA TYR 14 HA TYR 14 5.059 2.612 -9.646
106 1HB TYR 14 1HB TYR 14 4.137 1.575 -7.183
107 2HB TYR 14 2HB TYR 14 2.706 1.458 -8.187
108 HD1 TYR 14 HD1 TYR 14 2.645 -0.045 -10.130
109 HD2 TYR 14 HD2 TYR 14 6.114 0.211 -7.637
110 HE1 TYR 14 HE1 TYR 14 3.538 -2.200 -11.139
111 HE2 TYR 14 HE2 TYR 14 6.995 -1.946 -8.655
112 HH TYR 14 HH TYR 14 5.034 -3.795 -10.938
113 H GLU 15 H GLU 15 3.858 2.761 -11.568
114 HA GLU 15 HA GLU 15 1.415 4.232 -11.462
115 1HB GLU 15 1HB GLU 15 2.356 6.285 -12.515
116 2HB GLU 15 2HB GLU 15 2.976 6.028 -10.895
117 1HG GLU 15 1HG GLU 15 5.036 4.965 -11.869
118 2HG GLU 15 2HG GLU 15 4.418 5.269 -13.481
119 H CYS 16 H CYS 16 1.072 5.193 -13.920
120 HA CYS 16 HA CYS 16 1.026 2.684 -15.302
121 1HB CYS 16 1HB CYS 16 -0.871 4.458 -15.018
122 2HB CYS 16 2HB CYS 16 -0.110 5.241 -16.387
123 H LEU 17 H LEU 17 2.716 5.901 -15.572
124 HA LEU 17 HA LEU 17 3.268 7.072 -17.359
125 1HB LEU 17 1HB LEU 17 4.012 4.463 -18.675
126 2HB LEU 17 2HB LEU 17 4.640 6.060 -19.027
127 HG LEU 17 HG LEU 17 5.068 4.571 -16.422
128 1HD1 LEU 17 1HD1 LEU 17 6.184 3.431 -18.263
129 2HD1 LEU 17 2HD1 LEU 17 6.951 4.957 -18.765
130 3HD1 LEU 17 3HD1 LEU 17 7.369 4.225 -17.198
131 1HD2 LEU 17 1HD2 LEU 17 6.197 7.184 -17.457
132 2HD2 LEU 17 2HD2 LEU 17 5.146 6.938 -16.041
133 3HD2 LEU 17 3HD2 LEU 17 6.811 6.309 -16.033
134 H LYS 18 H LYS 18 1.918 8.119 -18.724
135 HA LYS 18 HA LYS 18 0.195 8.514 -20.045
136 1HB LYS 18 1HB LYS 18 1.422 6.915 -21.553
137 2HB LYS 18 2HB LYS 18 0.386 5.631 -20.961
138 1HG LYS 18 1HG LYS 18 -1.301 7.861 -21.683
139 2HG LYS 18 2HG LYS 18 -0.183 7.586 -23.005
140 1HD LYS 18 1HD LYS 18 -0.831 5.209 -23.124
141 2HD LYS 18 2HD LYS 18 -1.846 5.378 -21.706
142 1HE LYS 18 1HE LYS 18 -2.349 7.198 -24.070
143 2HE LYS 18 2HE LYS 18 -2.888 5.533 -24.164
144 1HZ LYS 18 1HZ LYS 18 -3.532 7.211 -21.853
145 2HZ LYS 18 2HZ LYS 18 -4.469 7.199 -23.191
146 3HZ LYS 18 3HZ LYS 18 -4.257 5.827 -22.330
147 H LEU 19 H LEU 19 -1.414 9.004 -18.595
148 HA LEU 19 HA LEU 19 -2.752 7.071 -17.060
149 1HB LEU 19 1HB LEU 19 -4.265 8.828 -16.506
150 2HB LEU 19 2HB LEU 19 -2.628 9.452 -16.511
151 HG LEU 19 HG LEU 19 -3.725 9.892 -19.112
152 1HD1 LEU 19 1HD1 LEU 19 -5.937 9.643 -18.114
153 2HD1 LEU 19 2HD1 LEU 19 -5.530 10.856 -16.876
154 3HD1 LEU 19 3HD1 LEU 19 -5.636 11.332 -18.588
155 1HD2 LEU 19 1HD2 LEU 19 -1.939 11.187 -18.016
156 2HD2 LEU 19 2HD2 LEU 19 -3.262 12.220 -18.609
157 3HD2 LEU 19 3HD2 LEU 19 -3.134 11.848 -16.873
158 H GLY 20 H GLY 20 -5.178 6.613 -17.285
159 1HA GLY 20 1HA GLY 20 -7.096 6.582 -18.652
160 2HA GLY 20 2HA GLY 20 -6.088 6.689 -20.083
161 H ASP 21 H ASP 21 -4.188 4.700 -19.815
162 HA ASP 21 HA ASP 21 -5.906 2.694 -20.773
163 1HB ASP 21 1HB ASP 21 -2.879 2.808 -20.395
164 2HB ASP 21 2HB ASP 21 -3.692 1.474 -21.189
165 H ASN 22 H ASN 22 -7.029 1.618 -19.064
166 HA ASN 22 HA ASN 22 -5.619 1.103 -16.641
167 1HB ASN 22 1HB ASN 22 -7.878 0.080 -15.966
168 2HB ASN 22 2HB ASN 22 -7.936 1.772 -16.417
169 1HD2 ASN 22 1HD2 ASN 22 -9.990 -1.085 -18.442
170 2HD2 ASN 22 2HD2 ASN 22 -8.798 -1.477 -17.248
171 H ASP 23 H ASP 23 -4.232 -0.314 -18.508
172 HA ASP 23 HA ASP 23 -5.454 -2.948 -18.643
173 1HB ASP 23 1HB ASP 23 -4.772 -1.894 -20.798
174 2HB ASP 23 2HB ASP 23 -3.131 -1.723 -20.206
175 H TYR 24 H TYR 24 -2.225 -1.286 -18.258
176 HA TYR 24 HA TYR 24 -1.003 -3.602 -17.136
177 1HB TYR 24 1HB TYR 24 -0.272 -0.608 -17.095
178 2HB TYR 24 2HB TYR 24 0.861 -1.921 -16.842
179 HD1 TYR 24 HD1 TYR 24 0.938 -3.700 -18.853
180 HD2 TYR 24 HD2 TYR 24 -0.365 0.360 -19.204
181 HE1 TYR 24 HE1 TYR 24 1.427 -3.749 -21.347
182 HE2 TYR 24 HE2 TYR 24 0.130 0.297 -21.696
183 HH TYR 24 HH TYR 24 0.729 -0.921 -23.379
184 H CYS 25 H CYS 25 -2.644 -0.687 -15.879
185 HA CYS 25 HA CYS 25 -1.833 -0.888 -13.240
186 1HB CYS 25 1HB CYS 25 -4.451 0.072 -14.408
187 2HB CYS 25 2HB CYS 25 -3.987 0.273 -12.731
188 H LEU 26 H LEU 26 -4.511 -2.458 -15.101
189 HA LEU 26 HA LEU 26 -5.662 -3.765 -12.913
190 1HB LEU 26 1HB LEU 26 -6.193 -3.430 -15.608
191 2HB LEU 26 2HB LEU 26 -5.883 -5.150 -15.472
192 HG LEU 26 HG LEU 26 -7.870 -3.663 -13.735
193 1HD1 LEU 26 1HD1 LEU 26 -8.366 -5.231 -16.281
194 2HD1 LEU 26 2HD1 LEU 26 -9.622 -4.620 -15.177
195 3HD1 LEU 26 3HD1 LEU 26 -8.573 -3.478 -16.051
196 1HD2 LEU 26 1HD2 LEU 26 -7.034 -5.732 -12.747
197 2HD2 LEU 26 2HD2 LEU 26 -8.739 -5.897 -13.229
198 3HD2 LEU 26 3HD2 LEU 26 -7.458 -6.626 -14.227
199 H ARG 27 H ARG 27 -3.120 -4.758 -15.282
200 HA ARG 27 HA ARG 27 -3.011 -7.376 -14.491
201 1HB ARG 27 1HB ARG 27 -1.181 -5.467 -15.911
202 2HB ARG 27 2HB ARG 27 -0.423 -6.917 -15.282
203 1HG ARG 27 1HG ARG 27 -1.646 -8.344 -16.679
204 2HG ARG 27 2HG ARG 27 -3.011 -7.251 -16.787
205 1HD ARG 27 1HD ARG 27 -1.439 -5.664 -18.118
206 2HD ARG 27 2HD ARG 27 -0.331 -7.017 -18.220
207 HE ARG 27 HE ARG 27 -1.837 -8.151 -19.666
208 1HH1 ARG 27 2HH1 ARG 27 -3.679 -5.672 -18.048
209 2HH1 ARG 27 1HH1 ARG 27 -4.846 -5.519 -19.319
210 1HH2 ARG 27 1HH2 ARG 27 -3.214 -7.741 -21.501
211 2HH2 ARG 27 2HH2 ARG 27 -4.437 -6.520 -21.384
212 H GLU 28 H GLU 28 -1.080 -4.505 -13.386
213 HA GLU 28 HA GLU 28 0.611 -6.042 -11.780
214 1HB GLU 28 1HB GLU 28 -0.017 -3.068 -11.892
215 2HB GLU 28 2HB GLU 28 1.162 -3.722 -10.772
216 1HG GLU 28 1HG GLU 28 1.254 -4.154 -13.796
217 2HG GLU 28 2HG GLU 28 2.157 -2.909 -12.956
218 H CYS 29 H CYS 29 -2.389 -4.142 -11.135
219 HA CYS 29 HA CYS 29 -2.488 -4.451 -8.405
220 1HB CYS 29 1HB CYS 29 -4.451 -3.992 -10.572
221 2HB CYS 29 2HB CYS 29 -5.107 -4.637 -9.080
222 H LYS 30 H LYS 30 -3.330 -6.680 -11.110
223 HA LYS 30 HA LYS 30 -4.772 -8.488 -9.504
224 1HB LYS 30 1HB LYS 30 -4.851 -8.106 -12.053
225 2HB LYS 30 2HB LYS 30 -3.443 -9.147 -12.135
226 1HG LYS 30 1HG LYS 30 -5.220 -10.677 -12.395
227 2HG LYS 30 2HG LYS 30 -4.841 -10.825 -10.690
228 1HD LYS 30 1HD LYS 30 -7.172 -10.583 -10.621
229 2HD LYS 30 2HD LYS 30 -6.649 -8.931 -10.363
230 1HE LYS 30 1HE LYS 30 -6.820 -8.624 -12.931
231 2HE LYS 30 2HE LYS 30 -7.646 -10.170 -12.964
232 1HZ LYS 30 1HZ LYS 30 -9.222 -9.234 -11.353
233 2HZ LYS 30 2HZ LYS 30 -8.492 -7.780 -11.481
234 3HZ LYS 30 3HZ LYS 30 -9.231 -8.439 -12.780
235 H GLN 31 H GLN 31 -1.403 -8.565 -10.861
236 HA GLN 31 HA GLN 31 -0.938 -10.867 -9.161
237 1HB GLN 31 1HB GLN 31 0.730 -9.729 -11.449
238 2HB GLN 31 2HB GLN 31 1.099 -11.198 -10.568
239 1HG GLN 31 1HG GLN 31 -1.137 -12.142 -11.277
240 2HG GLN 31 2HG GLN 31 -1.417 -10.696 -12.226
241 1HE2 GLN 31 1HE2 GLN 31 -0.188 -12.923 -14.747
242 2HE2 GLN 31 2HE2 GLN 31 -1.607 -12.477 -13.859
243 H GLN 32 H GLN 32 -1.168 -8.417 -7.764
244 HA GLN 32 HA GLN 32 1.173 -8.897 -6.299
245 1HB GLN 32 1HB GLN 32 2.430 -7.004 -6.576
246 2HB GLN 32 2HB GLN 32 1.646 -6.960 -8.142
247 1HG GLN 32 1HG GLN 32 1.167 -4.804 -7.420
248 2HG GLN 32 2HG GLN 32 -0.254 -5.629 -6.812
249 1HE2 GLN 32 1HE2 GLN 32 1.061 -3.512 -4.100
250 2HE2 GLN 32 2HE2 GLN 32 0.113 -3.452 -5.548
251 H TYR 33 H TYR 33 -1.818 -6.960 -6.877
252 HA TYR 33 HA TYR 33 -2.427 -7.790 -4.118
253 1HB TYR 33 1HB TYR 33 -3.038 -5.387 -5.847
254 2HB TYR 33 2HB TYR 33 -4.392 -5.977 -4.905
255 HD1 TYR 33 HD1 TYR 33 -3.246 -6.765 -2.359
256 HD2 TYR 33 HD2 TYR 33 -2.226 -3.448 -4.861
257 HE1 TYR 33 HE1 TYR 33 -2.383 -5.492 -0.334
258 HE2 TYR 33 HE2 TYR 33 -1.367 -2.187 -2.827
259 HH TYR 33 HH TYR 33 -1.268 -2.149 -0.646
260 H GLY 34 H GLY 34 -2.612 -9.880 -5.950
261 1HA GLY 34 1HA GLY 34 -4.067 -11.466 -5.116
262 2HA GLY 34 2HA GLY 34 -5.289 -10.239 -4.851
263 H LYS 35 H LYS 35 -5.179 -12.956 -6.378
264 HA LYS 35 HA LYS 35 -5.627 -12.233 -9.099
265 1HB LYS 35 1HB LYS 35 -6.045 -14.782 -7.519
266 2HB LYS 35 2HB LYS 35 -6.416 -14.644 -9.227
267 1HG LYS 35 1HG LYS 35 -3.690 -13.786 -8.211
268 2HG LYS 35 2HG LYS 35 -4.024 -15.488 -8.463
269 1HD LYS 35 1HD LYS 35 -4.894 -13.774 -10.723
270 2HD LYS 35 2HD LYS 35 -3.168 -13.705 -10.426
271 1HE LYS 35 1HE LYS 35 -3.576 -15.522 -11.990
272 2HE LYS 35 2HE LYS 35 -3.099 -16.234 -10.462
273 1HZ LYS 35 1HZ LYS 35 -5.892 -15.876 -11.298
274 2HZ LYS 35 2HZ LYS 35 -5.055 -17.268 -11.458
275 3HZ LYS 35 3HZ LYS 35 -5.371 -16.672 -9.971
276 H GLY 36 H GLY 36 -7.151 -10.396 -8.239
277 1HA GLY 36 1HA GLY 36 -9.785 -11.232 -8.998
278 2HA GLY 36 2HA GLY 36 -9.687 -10.816 -7.299
279 H ALA 37 H ALA 37 -7.759 -8.676 -7.338
280 HA ALA 37 HA ALA 37 -9.941 -6.878 -7.525
281 1HB ALA 37 1HB ALA 37 -8.301 -6.958 -5.651
282 2HB ALA 37 2HB ALA 37 -7.031 -6.395 -6.764
283 3HB ALA 37 3HB ALA 37 -8.414 -5.340 -6.385
284 H GLY 38 H GLY 38 -9.200 -4.446 -8.274
285 1HA GLY 38 1HA GLY 38 -7.778 -4.481 -10.792
286 2HA GLY 38 2HA GLY 38 -9.518 -4.341 -10.947
287 H GLY 39 H GLY 39 -8.947 -2.100 -11.889
288 1HA GLY 39 1HA GLY 39 -8.462 0.052 -10.177
289 2HA GLY 39 2HA GLY 39 -6.910 -0.654 -10.582
290 H TYR 40 H TYR 40 -7.052 1.813 -11.494
291 HA TYR 40 HA TYR 40 -6.938 1.332 -14.321
292 1HB TYR 40 1HB TYR 40 -8.371 3.601 -14.502
293 2HB TYR 40 2HB TYR 40 -9.211 2.070 -14.356
294 HD1 TYR 40 HD1 TYR 40 -7.835 4.835 -12.231
295 HD2 TYR 40 HD2 TYR 40 -10.813 1.796 -12.680
296 HE1 TYR 40 HE1 TYR 40 -9.016 5.674 -10.143
297 HE2 TYR 40 HE2 TYR 40 -11.985 2.646 -10.590
298 HH TYR 40 HH TYR 40 -11.873 3.989 -8.887
299 H CYS 41 H CYS 41 -6.208 3.516 -15.449
300 HA CYS 41 HA CYS 41 -3.956 4.301 -13.793
301 1HB CYS 41 1HB CYS 41 -4.449 4.383 -16.769
302 2HB CYS 41 2HB CYS 41 -3.072 5.164 -16.017
303 H TYR 42 H TYR 42 -4.596 6.076 -12.526
304 HA TYR 42 HA TYR 42 -5.913 8.312 -13.784
305 1HB TYR 42 1HB TYR 42 -5.075 7.283 -11.144
306 2HB TYR 42 2HB TYR 42 -4.570 8.954 -11.310
307 HD1 TYR 42 HD1 TYR 42 -6.738 10.214 -12.802
308 HD2 TYR 42 HD2 TYR 42 -6.929 7.231 -9.740
309 HE1 TYR 42 HE1 TYR 42 -9.085 10.978 -12.193
310 HE2 TYR 42 HE2 TYR 42 -9.275 8.005 -9.141
311 HH TYR 42 HH TYR 42 -10.888 9.362 -9.588
312 H ALA 43 H ALA 43 -4.553 10.512 -12.787
313 HA ALA 43 HA ALA 43 -2.680 10.962 -14.756
314 1HB ALA 43 1HB ALA 43 -3.048 12.286 -12.039
315 2HB ALA 43 2HB ALA 43 -2.106 12.966 -13.388
316 3HB ALA 43 3HB ALA 43 -3.863 12.734 -13.557
317 H PHE 44 H PHE 44 -1.187 9.208 -14.883
318 HA PHE 44 HA PHE 44 0.643 8.068 -14.396
319 1HB PHE 44 1HB PHE 44 1.363 10.613 -12.829
320 2HB PHE 44 2HB PHE 44 2.503 9.509 -13.572
321 HD1 PHE 44 HD1 PHE 44 2.307 9.245 -16.164
322 HD2 PHE 44 HD2 PHE 44 0.693 12.510 -13.985
323 HE1 PHE 44 HE1 PHE 44 2.282 10.631 -18.257
324 HE2 PHE 44 HE2 PHE 44 0.668 13.895 -16.079
325 HZ PHE 44 HZ PHE 44 1.463 12.938 -18.190
326 H ALA 45 H ALA 45 -1.481 7.502 -12.558
327 HA ALA 45 HA ALA 45 0.285 6.047 -10.860
328 1HB ALA 45 1HB ALA 45 -1.742 7.947 -9.612
329 2HB ALA 45 2HB ALA 45 -0.846 6.683 -8.735
330 3HB ALA 45 3HB ALA 45 0.030 8.047 -9.470
331 H CYS 46 H CYS 46 -0.724 4.103 -10.091
332 HA CYS 46 HA CYS 46 -3.076 3.536 -11.713
333 1HB CYS 46 1HB CYS 46 -0.846 1.842 -10.619
334 2HB CYS 46 2HB CYS 46 -2.362 1.111 -11.108
335 H TRP 47 H TRP 47 -4.939 3.887 -10.523
336 HA TRP 47 HA TRP 47 -4.854 3.479 -7.656
337 1HB TRP 47 1HB TRP 47 -5.876 5.496 -8.459
338 2HB TRP 47 2HB TRP 47 -6.942 4.604 -9.525
339 HD1 TRP 47 HD1 TRP 47 -8.611 2.731 -7.951
340 HE1 TRP 47 HE1 TRP 47 -10.053 3.254 -5.804
341 HE3 TRP 47 HE3 TRP 47 -6.061 6.923 -6.617
342 HZ2 TRP 47 HZ2 TRP 47 -9.967 5.315 -3.832
343 HZ3 TRP 47 HZ3 TRP 47 -6.806 8.132 -4.567
344 HH2 TRP 47 HH2 TRP 47 -8.686 7.391 -3.193
345 H CYS 48 H CYS 48 -5.318 1.486 -6.805
346 HA CYS 48 HA CYS 48 -6.975 -0.323 -8.334
347 1HB CYS 48 1HB CYS 48 -4.917 -0.636 -6.452
348 2HB CYS 48 2HB CYS 48 -6.368 -1.185 -5.636
349 H THR 49 H THR 49 -9.072 -1.067 -7.540
350 HA THR 49 HA THR 49 -10.300 0.600 -5.493
351 HB THR 49 HB THR 49 -10.480 2.015 -7.481
352 HG1 THR 49 HG1 THR 49 -12.421 1.493 -6.092
353 1HG2 THR 49 1HG2 THR 49 -10.986 -0.607 -8.814
354 2HG2 THR 49 2HG2 THR 49 -12.104 0.693 -9.291
355 3HG2 THR 49 3HG2 THR 49 -10.350 0.905 -9.504
356 H HIS 50 H HIS 50 -9.611 -2.246 -5.677
357 HA HIS 50 HA HIS 50 -12.246 -2.994 -4.796
358 1HB HIS 50 1HB HIS 50 -10.763 -4.617 -6.882
359 2HB HIS 50 2HB HIS 50 -12.140 -5.199 -5.967
360 HD1 HIS 50 HD1 HIS 50 -14.457 -3.792 -6.342
361 HD2 HIS 50 HD2 HIS 50 -11.403 -3.194 -9.154
362 HE1 HIS 50 HE1 HIS 50 -15.562 -2.731 -8.382
363 H LEU 51 H LEU 51 -10.713 -2.429 -2.880
364 HA LEU 51 HA LEU 51 -8.797 -4.616 -2.444
365 1HB LEU 51 1HB LEU 51 -8.606 -1.724 -1.590
366 2HB LEU 51 2HB LEU 51 -7.447 -2.982 -1.211
367 HG LEU 51 HG LEU 51 -8.115 -2.223 -4.059
368 1HD1 LEU 51 1HD1 LEU 51 -6.546 -0.731 -2.075
369 2HD1 LEU 51 2HD1 LEU 51 -5.667 -1.083 -3.582
370 3HD1 LEU 51 3HD1 LEU 51 -7.220 -0.216 -3.640
371 1HD2 LEU 51 1HD2 LEU 51 -5.764 -3.662 -2.800
372 2HD2 LEU 51 2HD2 LEU 51 -7.037 -4.372 -3.822
373 3HD2 LEU 51 3HD2 LEU 51 -5.888 -3.202 -4.515
374 H TYR 52 H TYR 52 -8.378 -5.103 -0.072
375 HA TYR 52 HA TYR 52 -10.657 -4.309 1.603
376 1HB TYR 52 1HB TYR 52 -9.075 -6.152 2.991
377 2HB TYR 52 2HB TYR 52 -10.449 -6.606 2.001
378 HD1 TYR 52 HD1 TYR 52 -6.760 -6.331 2.080
379 HD2 TYR 52 HD2 TYR 52 -10.157 -7.731 -0.111
380 HE1 TYR 52 HE1 TYR 52 -5.234 -7.698 0.576
381 HE2 TYR 52 HE2 TYR 52 -8.619 -9.094 -1.609
382 HH TYR 52 HH TYR 52 -6.590 -9.650 -2.070
383 H GLU 53 H GLU 53 -9.723 -4.349 4.105
384 HA GLU 53 HA GLU 53 -8.437 -1.896 4.201
385 1HB GLU 53 1HB GLU 53 -8.986 -4.001 6.330
386 2HB GLU 53 2HB GLU 53 -8.276 -2.446 6.711
387 1HG GLU 53 1HG GLU 53 -10.247 -1.283 5.733
388 2HG GLU 53 2HG GLU 53 -10.951 -2.823 5.284
389 H GLN 54 H GLN 54 -7.228 -5.187 4.032
390 HA GLN 54 HA GLN 54 -4.608 -4.324 4.893
391 1HB GLN 54 1HB GLN 54 -5.856 -7.010 4.248
392 2HB GLN 54 2HB GLN 54 -4.112 -6.847 4.332
393 1HG GLN 54 1HG GLN 54 -4.290 -5.941 6.645
394 2HG GLN 54 2HG GLN 54 -6.038 -6.040 6.565
395 1HE2 GLN 54 1HE2 GLN 54 -4.793 -9.007 8.392
396 2HE2 GLN 54 2HE2 GLN 54 -4.772 -7.285 8.569
397 H ALA 55 H ALA 55 -5.963 -3.335 2.287
398 HA ALA 55 HA ALA 55 -3.425 -3.772 0.880
399 1HB ALA 55 1HB ALA 55 -5.542 -3.872 -0.447
400 2HB ALA 55 2HB ALA 55 -5.888 -2.194 0.034
401 3HB ALA 55 3HB ALA 55 -4.461 -2.556 -0.965
402 H ILE 56 H ILE 56 -1.769 -2.438 1.476
403 HA ILE 56 HA ILE 56 -2.384 0.211 2.460
404 HB ILE 56 HB ILE 56 0.217 -1.207 1.875
405 1HG1 ILE 56 1HG1 ILE 56 -0.911 -0.473 4.578
406 2HG1 ILE 56 2HG1 ILE 56 -1.312 -1.991 3.798
407 1HG2 ILE 56 1HG2 ILE 56 -0.317 1.537 3.035
408 2HG2 ILE 56 2HG2 ILE 56 1.234 0.676 3.184
409 3HG2 ILE 56 3HG2 ILE 56 0.617 1.126 1.576
410 1HD1 ILE 56 1HD1 ILE 56 1.198 -2.417 3.540
411 2HD1 ILE 56 2HD1 ILE 56 1.461 -0.997 4.581
412 3HD1 ILE 56 3HD1 ILE 56 0.594 -2.418 5.214
413 H VAL 57 H VAL 57 -1.781 2.175 1.357
414 HA VAL 57 HA VAL 57 -1.367 1.786 -1.527
415 HB VAL 57 HB VAL 57 -3.396 2.682 -1.723
416 1HG1 VAL 57 1HG1 VAL 57 -3.141 3.785 1.095
417 2HG1 VAL 57 2HG1 VAL 57 -4.603 3.884 0.083
418 3HG1 VAL 57 3HG1 VAL 57 -3.985 2.297 0.603
419 1HG2 VAL 57 1HG2 VAL 57 -1.945 4.544 -2.419
420 2HG2 VAL 57 2HG2 VAL 57 -3.484 5.130 -1.745
421 3HG2 VAL 57 3HG2 VAL 57 -1.999 5.204 -0.767
422 H TRP 58 H TRP 58 0.007 3.427 -2.574
423 HA TRP 58 HA TRP 58 2.339 3.264 -1.120
424 1HB TRP 58 1HB TRP 58 2.372 3.243 -3.498
425 2HB TRP 58 2HB TRP 58 1.625 4.825 -3.600
426 HD1 TRP 58 HD1 TRP 58 5.032 3.188 -3.213
427 HE1 TRP 58 HE1 TRP 58 6.988 4.958 -3.213
428 HE3 TRP 58 HE3 TRP 58 2.034 7.278 -2.826
429 HZ2 TRP 58 HZ2 TRP 58 7.060 7.807 -3.056
430 HZ3 TRP 58 HZ3 TRP 58 3.128 9.517 -2.756
431 HH2 TRP 58 HH2 TRP 58 5.551 9.819 -2.864
432 HA PRO 59 HA PRO 59 4.048 4.007 -0.857
433 1HB PRO 59 1HB PRO 59 5.798 4.686 1.128
434 2HB PRO 59 2HB PRO 59 5.896 5.333 -0.497
435 1HG PRO 59 1HG PRO 59 4.936 6.653 1.969
436 2HG PRO 59 2HG PRO 59 5.438 7.383 0.456
437 1HD PRO 59 1HD PRO 59 2.746 7.025 1.379
438 2HD PRO 59 2HD PRO 59 3.245 7.649 -0.180
439 H LEU 60 H LEU 60 5.350 2.496 1.006
440 HA LEU 60 HA LEU 60 3.475 1.723 2.987
441 1HB LEU 60 1HB LEU 60 6.472 1.434 2.770
442 2HB LEU 60 2HB LEU 60 5.517 0.750 4.071
443 HG LEU 60 HG LEU 60 5.555 -1.082 2.761
444 1HD1 LEU 60 1HD1 LEU 60 3.191 -0.407 2.812
445 2HD1 LEU 60 2HD1 LEU 60 3.406 0.442 1.264
446 3HD1 LEU 60 3HD1 LEU 60 3.596 -1.325 1.343
447 1HD2 LEU 60 1HD2 LEU 60 7.110 0.084 1.152
448 2HD2 LEU 60 2HD2 LEU 60 6.078 -1.184 0.447
449 3HD2 LEU 60 3HD2 LEU 60 5.671 0.532 0.205
450 HA PRO 61 HA PRO 61 4.377 4.842 5.983
451 1HB PRO 61 1HB PRO 61 3.778 3.503 8.288
452 2HB PRO 61 2HB PRO 61 2.571 4.313 7.308
453 1HG PRO 61 1HG PRO 61 3.121 1.418 7.554
454 2HG PRO 61 2HG PRO 61 1.687 2.214 6.938
455 1HD PRO 61 1HD PRO 61 3.753 0.960 5.392
456 2HD PRO 61 2HD PRO 61 2.379 1.857 4.774
457 H ASN 62 H ASN 62 5.618 1.590 6.704
458 HA ASN 62 HA ASN 62 7.368 2.983 8.550
459 1HB ASN 62 1HB ASN 62 7.559 0.737 9.667
460 2HB ASN 62 2HB ASN 62 5.894 1.274 9.554
461 1HD2 ASN 62 1HD2 ASN 62 6.582 -2.337 8.385
462 2HD2 ASN 62 2HD2 ASN 62 7.220 -1.408 9.701
463 H LYS 63 H LYS 63 7.486 1.997 5.433
464 HA LYS 63 HA LYS 63 10.319 1.831 5.485
465 1HB LYS 63 1HB LYS 63 10.465 -0.381 4.317
466 2HB LYS 63 2HB LYS 63 10.034 -0.470 6.013
467 1HG LYS 63 1HG LYS 63 7.766 -0.996 5.552
468 2HG LYS 63 2HG LYS 63 7.838 -0.339 3.929
469 1HD LYS 63 1HD LYS 63 9.519 -2.749 4.720
470 2HD LYS 63 2HD LYS 63 7.853 -2.938 4.209
471 1HE LYS 63 1HE LYS 63 8.398 -1.724 2.067
472 2HE LYS 63 2HE LYS 63 10.071 -1.613 2.576
473 1HZ LYS 63 1HZ LYS 63 9.939 -4.106 2.792
474 2HZ LYS 63 2HZ LYS 63 8.549 -4.027 1.938
475 3HZ LYS 63 3HZ LYS 63 9.947 -3.502 1.274
476 H ARG 64 H ARG 64 8.920 3.840 4.468
477 HA ARG 64 HA ARG 64 8.122 3.497 1.838
478 1HB ARG 64 1HB ARG 64 8.501 5.995 1.675
479 2HB ARG 64 2HB ARG 64 7.546 5.527 3.069
480 1HG ARG 64 1HG ARG 64 9.208 6.093 4.583
481 2HG ARG 64 2HG ARG 64 10.507 5.616 3.507
482 1HD ARG 64 1HD ARG 64 10.125 7.668 2.128
483 2HD ARG 64 2HD ARG 64 8.814 8.143 3.188
484 HE ARG 64 HE ARG 64 10.393 8.935 4.712
485 1HH1 ARG 64 2HH1 ARG 64 12.017 6.882 2.372
486 2HH1 ARG 64 1HH1 ARG 64 13.540 6.921 3.194
487 1HH2 ARG 64 1HH2 ARG 64 12.419 9.029 5.786
488 2HH2 ARG 64 2HH2 ARG 64 13.800 8.259 5.076
489 H CYS 65 H CYS 65 9.367 4.686 -0.068
490 HA CYS 65 HA CYS 65 11.731 3.207 -0.399
491 1HB CYS 65 1HB CYS 65 9.942 4.183 -2.105
492 2HB CYS 65 2HB CYS 65 11.089 5.506 -2.191
493 H SER 66 H SER 66 13.925 4.111 -0.793
494 HA SER 66 HA SER 66 14.564 6.099 1.091
495 1HB SER 66 1HB SER 66 16.883 5.829 0.198
496 2HB SER 66 2HB SER 66 16.135 4.299 0.604
497 HG SER 66 HG SER 66 16.308 5.443 -2.054
498 1HN NH2 67 1H SER 66 13.378 7.929 0.447
499 2HN NH2 67 2H SER 66 13.855 8.925 -0.888
No H/Q in entry = 499
Start of MODEL 9
1 1H LYS 1 1H LYS 1 -10.383 -0.606 0.717
2 2H LYS 1 2H LYS 1 -11.315 -0.180 2.017
3 3H LYS 1 3H LYS 1 -11.444 0.659 0.596
4 HA LYS 1 HA LYS 1 -10.255 2.011 1.960
5 1HB LYS 1 1HB LYS 1 -9.785 0.066 3.561
6 2HB LYS 1 2HB LYS 1 -8.360 -0.257 2.594
7 1HG LYS 1 1HG LYS 1 -7.699 2.201 2.932
8 2HG LYS 1 2HG LYS 1 -9.013 2.323 4.085
9 1HD LYS 1 1HD LYS 1 -7.280 1.763 5.532
10 2HD LYS 1 2HD LYS 1 -7.874 0.158 5.155
11 1HE LYS 1 1HE LYS 1 -6.150 0.182 3.190
12 2HE LYS 1 2HE LYS 1 -5.440 1.569 3.992
13 1HZ LYS 1 1HZ LYS 1 -5.879 -1.039 5.274
14 2HZ LYS 1 2HZ LYS 1 -4.451 -0.525 4.673
15 3HZ LYS 1 3HZ LYS 1 -5.127 0.247 5.943
16 H GLU 2 H GLU 2 -10.209 2.596 -0.438
17 HA GLU 2 HA GLU 2 -8.231 1.066 -1.885
18 1HB GLU 2 1HB GLU 2 -10.366 2.937 -2.994
19 2HB GLU 2 2HB GLU 2 -9.440 1.751 -3.893
20 1HG GLU 2 1HG GLU 2 -11.542 1.219 -1.752
21 2HG GLU 2 2HG GLU 2 -11.615 0.779 -3.447
22 H GLY 3 H GLY 3 -6.878 2.200 -3.576
23 1HA GLY 3 1HA GLY 3 -6.481 4.929 -3.720
24 2HA GLY 3 2HA GLY 3 -5.498 4.381 -2.378
25 H TYR 4 H TYR 4 -3.751 5.217 -3.951
26 HA TYR 4 HA TYR 4 -3.138 3.516 -6.169
27 1HB TYR 4 1HB TYR 4 -1.503 5.542 -4.519
28 2HB TYR 4 2HB TYR 4 -1.068 4.980 -6.120
29 HD1 TYR 4 HD1 TYR 4 -2.922 5.394 -7.990
30 HD2 TYR 4 HD2 TYR 4 -2.638 7.563 -4.314
31 HE1 TYR 4 HE1 TYR 4 -4.236 7.314 -9.014
32 HE2 TYR 4 HE2 TYR 4 -3.953 9.476 -5.350
33 HH TYR 4 HH TYR 4 -5.034 10.186 -7.078
34 H LEU 5 H LEU 5 -2.596 1.409 -5.765
35 HA LEU 5 HA LEU 5 -1.553 0.444 -3.414
36 1HB LEU 5 1HB LEU 5 -1.335 -1.564 -4.500
37 2HB LEU 5 2HB LEU 5 -2.578 -0.753 -5.432
38 HG LEU 5 HG LEU 5 0.339 -0.827 -6.240
39 1HD1 LEU 5 1HD1 LEU 5 -1.928 -2.704 -6.902
40 2HD1 LEU 5 2HD1 LEU 5 -0.519 -2.504 -7.970
41 3HD1 LEU 5 3HD1 LEU 5 -0.296 -3.084 -6.302
42 1HD2 LEU 5 1HD2 LEU 5 -2.179 0.040 -7.675
43 2HD2 LEU 5 2HD2 LEU 5 -0.760 1.026 -7.254
44 3HD2 LEU 5 3HD2 LEU 5 -0.622 -0.248 -8.489
45 H VAL 6 H VAL 6 0.551 -0.073 -2.665
46 HA VAL 6 HA VAL 6 2.638 1.489 -4.018
47 HB VAL 6 HB VAL 6 1.903 2.187 -1.729
48 1HG1 VAL 6 1HG1 VAL 6 1.457 -0.035 -0.790
49 2HG1 VAL 6 2HG1 VAL 6 3.188 -0.437 -0.897
50 3HG1 VAL 6 3HG1 VAL 6 2.640 0.853 0.201
51 1HG2 VAL 6 1HG2 VAL 6 4.258 2.472 -2.811
52 2HG2 VAL 6 2HG2 VAL 6 4.051 2.808 -1.075
53 3HG2 VAL 6 3HG2 VAL 6 4.770 1.268 -1.604
54 H ASP 7 H ASP 7 4.820 0.556 -4.059
55 HA ASP 7 HA ASP 7 4.641 -2.255 -4.539
56 1HB ASP 7 1HB ASP 7 5.915 -0.661 -6.023
57 2HB ASP 7 2HB ASP 7 7.025 -0.352 -4.703
58 H LYS 8 H LYS 8 6.214 -3.813 -3.502
59 HA LYS 8 HA LYS 8 7.190 -2.848 -0.911
60 1HB LYS 8 1HB LYS 8 5.772 -5.182 -1.664
61 2HB LYS 8 2HB LYS 8 7.396 -5.706 -1.266
62 1HG LYS 8 1HG LYS 8 5.806 -3.822 0.530
63 2HG LYS 8 2HG LYS 8 5.717 -5.566 0.691
64 1HD LYS 8 1HD LYS 8 8.256 -5.598 0.941
65 2HD LYS 8 2HD LYS 8 8.227 -3.846 0.963
66 1HE LYS 8 1HE LYS 8 6.779 -3.856 2.973
67 2HE LYS 8 2HE LYS 8 6.672 -5.605 2.922
68 1HZ LYS 8 1HZ LYS 8 9.158 -4.077 3.285
69 2HZ LYS 8 2HZ LYS 8 8.343 -4.860 4.465
70 3HZ LYS 8 3HZ LYS 8 9.045 -5.707 3.257
71 H ASN 9 H ASN 9 8.087 -4.058 -4.113
72 HA ASN 9 HA ASN 9 10.459 -5.255 -3.432
73 1HB ASN 9 1HB ASN 9 9.079 -4.385 -5.869
74 2HB ASN 9 2HB ASN 9 10.803 -4.103 -6.026
75 1HD2 ASN 9 1HD2 ASN 9 11.213 -7.379 -7.083
76 2HD2 ASN 9 2HD2 ASN 9 11.310 -5.682 -7.418
77 H THR 10 H THR 10 10.057 -2.083 -5.201
78 HA THR 10 HA THR 10 12.568 -1.129 -4.112
79 HB THR 10 HB THR 10 11.962 0.851 -5.609
80 HG1 THR 10 HG1 THR 10 10.009 0.319 -6.950
81 1HG2 THR 10 1HG2 THR 10 13.168 -1.223 -6.538
82 2HG2 THR 10 2HG2 THR 10 11.570 -1.827 -7.035
83 3HG2 THR 10 3HG2 THR 10 12.207 -0.320 -7.732
84 H GLY 11 H GLY 11 9.119 -0.924 -3.432
85 1HA GLY 11 1HA GLY 11 8.071 0.045 -1.666
86 2HA GLY 11 2HA GLY 11 9.606 0.655 -1.078
87 H CYS 12 H CYS 12 8.706 1.248 -4.458
88 HA CYS 12 HA CYS 12 8.802 4.078 -3.742
89 1HB CYS 12 1HB CYS 12 10.066 2.479 -5.796
90 2HB CYS 12 2HB CYS 12 9.154 3.792 -6.515
91 H LYS 13 H LYS 13 7.450 5.533 -5.285
92 HA LYS 13 HA LYS 13 4.829 4.658 -5.658
93 1HB LYS 13 1HB LYS 13 5.676 7.033 -5.531
94 2HB LYS 13 2HB LYS 13 6.256 6.858 -7.175
95 1HG LYS 13 1HG LYS 13 3.722 5.966 -7.553
96 2HG LYS 13 2HG LYS 13 3.428 6.986 -6.159
97 1HD LYS 13 1HD LYS 13 4.384 8.936 -7.305
98 2HD LYS 13 2HD LYS 13 4.903 7.945 -8.654
99 1HE LYS 13 1HE LYS 13 2.480 7.358 -9.102
100 2HE LYS 13 2HE LYS 13 2.009 8.455 -7.818
101 1HZ LYS 13 1HZ LYS 13 3.687 9.353 -10.041
102 2HZ LYS 13 2HZ LYS 13 2.057 9.356 -10.147
103 3HZ LYS 13 3HZ LYS 13 2.804 10.261 -9.011
104 H TYR 14 H TYR 14 3.763 3.622 -7.318
105 HA TYR 14 HA TYR 14 5.183 1.985 -9.039
106 1HB TYR 14 1HB TYR 14 2.414 3.049 -8.573
107 2HB TYR 14 2HB TYR 14 2.678 2.517 -10.222
108 HD1 TYR 14 HD1 TYR 14 3.791 1.160 -6.897
109 HD2 TYR 14 HD2 TYR 14 1.693 0.445 -10.557
110 HE1 TYR 14 HE1 TYR 14 3.369 -1.246 -6.193
111 HE2 TYR 14 HE2 TYR 14 1.277 -1.959 -9.840
112 HH TYR 14 HH TYR 14 2.465 -3.135 -6.700
113 H GLU 15 H GLU 15 3.685 5.232 -9.608
114 HA GLU 15 HA GLU 15 3.861 6.656 -11.237
115 1HB GLU 15 1HB GLU 15 6.404 6.126 -10.733
116 2HB GLU 15 2HB GLU 15 6.373 5.349 -12.303
117 1HG GLU 15 1HG GLU 15 7.049 7.601 -12.741
118 2HG GLU 15 2HG GLU 15 5.371 7.526 -13.239
119 H CYS 16 H CYS 16 1.925 5.668 -12.194
120 HA CYS 16 HA CYS 16 2.155 3.479 -13.938
121 1HB CYS 16 1HB CYS 16 0.116 4.140 -12.649
122 2HB CYS 16 2HB CYS 16 -0.100 5.485 -13.753
123 H LEU 17 H LEU 17 1.641 3.556 -16.325
124 HA LEU 17 HA LEU 17 3.266 5.508 -17.577
125 1HB LEU 17 1HB LEU 17 2.781 4.335 -19.596
126 2HB LEU 17 2HB LEU 17 3.101 3.182 -18.317
127 HG LEU 17 HG LEU 17 0.262 3.695 -18.471
128 1HD1 LEU 17 1HD1 LEU 17 1.602 2.895 -21.066
129 2HD1 LEU 17 2HD1 LEU 17 -0.129 2.682 -20.712
130 3HD1 LEU 17 3HD1 LEU 17 0.573 4.316 -20.769
131 1HD2 LEU 17 1HD2 LEU 17 1.363 1.733 -17.442
132 2HD2 LEU 17 2HD2 LEU 17 0.130 1.288 -18.646
133 3HD2 LEU 17 3HD2 LEU 17 1.857 1.188 -19.063
134 H LYS 18 H LYS 18 1.964 6.233 -19.920
135 HA LYS 18 HA LYS 18 0.518 8.426 -19.426
136 1HB LYS 18 1HB LYS 18 1.176 7.975 -21.642
137 2HB LYS 18 2HB LYS 18 0.358 6.425 -21.678
138 1HG LYS 18 1HG LYS 18 -1.433 8.727 -21.083
139 2HG LYS 18 2HG LYS 18 -0.689 8.792 -22.668
140 1HD LYS 18 1HD LYS 18 -1.483 6.439 -23.108
141 2HD LYS 18 2HD LYS 18 -2.280 6.436 -21.547
142 1HE LYS 18 1HE LYS 18 -3.619 8.464 -22.285
143 2HE LYS 18 2HE LYS 18 -2.888 8.325 -23.871
144 1HZ LYS 18 1HZ LYS 18 -4.416 6.174 -22.578
145 2HZ LYS 18 2HZ LYS 18 -5.032 7.207 -23.683
146 3HZ LYS 18 3HZ LYS 18 -3.843 6.172 -24.107
147 H LEU 19 H LEU 19 -1.479 8.998 -18.661
148 HA LEU 19 HA LEU 19 -2.784 6.993 -17.163
149 1HB LEU 19 1HB LEU 19 -4.166 8.754 -16.361
150 2HB LEU 19 2HB LEU 19 -2.509 9.321 -16.443
151 HG LEU 19 HG LEU 19 -3.698 10.035 -18.909
152 1HD1 LEU 19 1HD1 LEU 19 -5.894 9.659 -17.905
153 2HD1 LEU 19 2HD1 LEU 19 -5.480 10.757 -16.567
154 3HD1 LEU 19 3HD1 LEU 19 -5.618 11.388 -18.225
155 1HD2 LEU 19 1HD2 LEU 19 -1.908 11.229 -17.710
156 2HD2 LEU 19 2HD2 LEU 19 -3.249 12.304 -18.175
157 3HD2 LEU 19 3HD2 LEU 19 -3.092 11.755 -16.489
158 H GLY 20 H GLY 20 -5.130 6.463 -17.290
159 1HA GLY 20 1HA GLY 20 -7.129 6.349 -18.515
160 2HA GLY 20 2HA GLY 20 -6.266 6.752 -19.985
161 H ASP 21 H ASP 21 -4.014 4.919 -19.658
162 HA ASP 21 HA ASP 21 -5.331 2.764 -20.904
163 1HB ASP 21 1HB ASP 21 -2.411 3.144 -20.090
164 2HB ASP 21 2HB ASP 21 -2.984 1.849 -21.122
165 H ASN 22 H ASN 22 -6.566 1.599 -19.296
166 HA ASN 22 HA ASN 22 -5.245 1.125 -16.780
167 1HB ASN 22 1HB ASN 22 -7.587 0.280 -16.122
168 2HB ASN 22 2HB ASN 22 -7.502 1.973 -16.571
169 1HD2 ASN 22 1HD2 ASN 22 -9.358 1.735 -19.546
170 2HD2 ASN 22 2HD2 ASN 22 -8.249 2.662 -18.591
171 H ASP 23 H ASP 23 -3.970 -0.405 -18.647
172 HA ASP 23 HA ASP 23 -5.356 -2.957 -18.710
173 1HB ASP 23 1HB ASP 23 -4.605 -2.127 -20.893
174 2HB ASP 23 2HB ASP 23 -2.984 -1.855 -20.283
175 H TYR 24 H TYR 24 -2.023 -1.515 -18.314
176 HA TYR 24 HA TYR 24 -0.977 -3.897 -17.161
177 1HB TYR 24 1HB TYR 24 -0.127 -0.944 -17.374
178 2HB TYR 24 2HB TYR 24 0.939 -2.172 -16.717
179 HD1 TYR 24 HD1 TYR 24 1.792 -4.006 -18.197
180 HD2 TYR 24 HD2 TYR 24 -0.446 -0.704 -19.742
181 HE1 TYR 24 HE1 TYR 24 2.617 -4.536 -20.543
182 HE2 TYR 24 HE2 TYR 24 0.387 -1.245 -22.083
183 HH TYR 24 HH TYR 24 2.633 -3.948 -22.617
184 H CYS 25 H CYS 25 -2.371 -0.840 -15.917
185 HA CYS 25 HA CYS 25 -1.737 -1.146 -13.255
186 1HB CYS 25 1HB CYS 25 -2.835 0.825 -14.208
187 2HB CYS 25 2HB CYS 25 -4.297 -0.101 -14.481
188 H LEU 26 H LEU 26 -4.588 -2.392 -15.147
189 HA LEU 26 HA LEU 26 -5.789 -3.718 -13.030
190 1HB LEU 26 1HB LEU 26 -6.322 -3.232 -15.687
191 2HB LEU 26 2HB LEU 26 -6.116 -4.971 -15.657
192 HG LEU 26 HG LEU 26 -8.002 -3.461 -13.829
193 1HD1 LEU 26 1HD1 LEU 26 -8.601 -4.904 -16.426
194 2HD1 LEU 26 2HD1 LEU 26 -9.812 -4.261 -15.291
195 3HD1 LEU 26 3HD1 LEU 26 -8.705 -3.151 -16.134
196 1HD2 LEU 26 1HD2 LEU 26 -7.708 -6.418 -14.426
197 2HD2 LEU 26 2HD2 LEU 26 -7.305 -5.590 -12.903
198 3HD2 LEU 26 3HD2 LEU 26 -8.998 -5.685 -13.443
199 H ARG 27 H ARG 27 -3.384 -4.877 -15.474
200 HA ARG 27 HA ARG 27 -3.491 -7.507 -14.787
201 1HB ARG 27 1HB ARG 27 -1.356 -5.722 -15.979
202 2HB ARG 27 2HB ARG 27 -0.922 -7.368 -15.564
203 1HG ARG 27 1HG ARG 27 -3.220 -7.912 -16.875
204 2HG ARG 27 2HG ARG 27 -2.862 -6.381 -17.646
205 1HD ARG 27 1HD ARG 27 -0.409 -7.457 -17.884
206 2HD ARG 27 2HD ARG 27 -1.294 -8.961 -17.732
207 HE ARG 27 HE ARG 27 -2.193 -8.625 -19.868
208 1HH1 ARG 27 2HH1 ARG 27 -0.746 -5.629 -18.724
209 2HH1 ARG 27 1HH1 ARG 27 -1.069 -4.764 -20.189
210 1HH2 ARG 27 1HH2 ARG 27 -2.555 -7.503 -21.828
211 2HH2 ARG 27 2HH2 ARG 27 -2.179 -5.815 -21.938
212 H GLU 28 H GLU 28 -1.345 -4.874 -13.499
213 HA GLU 28 HA GLU 28 0.212 -6.617 -11.987
214 1HB GLU 28 1HB GLU 28 0.612 -4.131 -12.790
215 2HB GLU 28 2HB GLU 28 -0.148 -3.698 -11.271
216 1HG GLU 28 1HG GLU 28 2.200 -3.794 -10.801
217 2HG GLU 28 2HG GLU 28 1.527 -5.255 -10.105
218 H CYS 29 H CYS 29 -2.572 -4.458 -11.141
219 HA CYS 29 HA CYS 29 -2.615 -4.922 -8.440
220 1HB CYS 29 1HB CYS 29 -4.043 -3.370 -9.984
221 2HB CYS 29 2HB CYS 29 -5.163 -4.717 -10.013
222 H LYS 30 H LYS 30 -3.908 -6.844 -11.206
223 HA LYS 30 HA LYS 30 -5.424 -8.591 -9.592
224 1HB LYS 30 1HB LYS 30 -5.662 -8.013 -12.097
225 2HB LYS 30 2HB LYS 30 -4.407 -9.205 -12.368
226 1HG LYS 30 1HG LYS 30 -5.744 -10.994 -11.623
227 2HG LYS 30 2HG LYS 30 -6.749 -9.969 -10.619
228 1HD LYS 30 1HD LYS 30 -6.772 -9.593 -13.627
229 2HD LYS 30 2HD LYS 30 -7.690 -10.907 -12.915
230 1HE LYS 30 1HE LYS 30 -8.864 -9.258 -11.421
231 2HE LYS 30 2HE LYS 30 -7.969 -7.954 -12.176
232 1HZ LYS 30 1HZ LYS 30 -8.942 -8.622 -14.291
233 2HZ LYS 30 2HZ LYS 30 -9.820 -9.780 -13.544
234 3HZ LYS 30 3HZ LYS 30 -10.089 -8.206 -13.204
235 H GLN 31 H GLN 31 -2.198 -8.900 -11.226
236 HA GLN 31 HA GLN 31 -1.833 -11.346 -9.709
237 1HB GLN 31 1HB GLN 31 -0.258 -10.221 -12.067
238 2HB GLN 31 2HB GLN 31 0.061 -11.760 -11.294
239 1HG GLN 31 1HG GLN 31 -2.269 -12.514 -11.863
240 2HG GLN 31 2HG GLN 31 -2.555 -10.986 -12.669
241 1HE2 GLN 31 1HE2 GLN 31 -1.719 -13.131 -15.431
242 2HE2 GLN 31 2HE2 GLN 31 -3.010 -12.722 -14.352
243 H GLN 32 H GLN 32 -1.719 -9.017 -8.134
244 HA GLN 32 HA GLN 32 0.710 -9.803 -6.955
245 1HB GLN 32 1HB GLN 32 2.007 -7.882 -7.041
246 2HB GLN 32 2HB GLN 32 1.240 -7.795 -8.614
247 1HG GLN 32 1HG GLN 32 0.793 -5.644 -7.855
248 2HG GLN 32 2HG GLN 32 -0.649 -6.455 -7.279
249 1HE2 GLN 32 1HE2 GLN 32 2.395 -5.403 -4.664
250 2HE2 GLN 32 2HE2 GLN 32 2.683 -5.649 -6.353
251 H TYR 33 H TYR 33 -2.167 -7.676 -7.076
252 HA TYR 33 HA TYR 33 -2.416 -8.119 -4.176
253 1HB TYR 33 1HB TYR 33 -2.530 -5.779 -5.891
254 2HB TYR 33 2HB TYR 33 -4.172 -6.084 -5.363
255 HD1 TYR 33 HD1 TYR 33 -3.893 -7.010 -2.617
256 HD2 TYR 33 HD2 TYR 33 -1.698 -3.976 -4.684
257 HE1 TYR 33 HE1 TYR 33 -3.390 -5.860 -0.407
258 HE2 TYR 33 HE2 TYR 33 -1.202 -2.835 -2.467
259 HH TYR 33 HH TYR 33 -2.120 -4.342 0.580
260 H GLY 34 H GLY 34 -3.197 -9.995 -6.434
261 1HA GLY 34 1HA GLY 34 -4.580 -11.665 -5.469
262 2HA GLY 34 2HA GLY 34 -5.724 -10.431 -4.978
263 H LYS 35 H LYS 35 -5.887 -12.950 -6.798
264 HA LYS 35 HA LYS 35 -6.067 -11.873 -9.447
265 1HB LYS 35 1HB LYS 35 -6.590 -14.636 -8.315
266 2HB LYS 35 2HB LYS 35 -6.678 -14.236 -10.019
267 1HG LYS 35 1HG LYS 35 -4.273 -13.339 -9.816
268 2HG LYS 35 2HG LYS 35 -4.227 -14.042 -8.212
269 1HD LYS 35 1HD LYS 35 -4.914 -15.650 -10.714
270 2HD LYS 35 2HD LYS 35 -3.283 -15.511 -10.086
271 1HE LYS 35 1HE LYS 35 -4.149 -16.405 -7.855
272 2HE LYS 35 2HE LYS 35 -5.693 -16.697 -8.631
273 1HZ LYS 35 1HZ LYS 35 -4.551 -18.112 -10.213
274 2HZ LYS 35 2HZ LYS 35 -3.123 -17.854 -9.465
275 3HZ LYS 35 3HZ LYS 35 -4.322 -18.644 -8.686
276 H GLY 36 H GLY 36 -7.730 -10.210 -8.553
277 1HA GLY 36 1HA GLY 36 -10.296 -10.883 -9.493
278 2HA GLY 36 2HA GLY 36 -10.286 -11.011 -7.745
279 H ALA 37 H ALA 37 -8.334 -8.950 -7.151
280 HA ALA 37 HA ALA 37 -9.970 -6.687 -7.164
281 1HB ALA 37 1HB ALA 37 -8.171 -7.177 -5.522
282 2HB ALA 37 2HB ALA 37 -6.955 -6.913 -6.795
283 3HB ALA 37 3HB ALA 37 -7.986 -5.565 -6.256
284 H GLY 38 H GLY 38 -9.018 -4.471 -8.064
285 1HA GLY 38 1HA GLY 38 -7.843 -4.707 -10.696
286 2HA GLY 38 2HA GLY 38 -9.558 -4.342 -10.702
287 H GLY 39 H GLY 39 -8.834 -2.244 -11.731
288 1HA GLY 39 1HA GLY 39 -8.419 -0.039 -10.133
289 2HA GLY 39 2HA GLY 39 -6.824 -0.703 -10.422
290 H TYR 40 H TYR 40 -6.924 1.680 -11.476
291 HA TYR 40 HA TYR 40 -6.655 1.033 -14.256
292 1HB TYR 40 1HB TYR 40 -8.071 3.317 -14.613
293 2HB TYR 40 2HB TYR 40 -8.899 1.775 -14.518
294 HD1 TYR 40 HD1 TYR 40 -7.716 4.551 -12.287
295 HD2 TYR 40 HD2 TYR 40 -10.661 1.533 -13.013
296 HE1 TYR 40 HE1 TYR 40 -9.080 5.398 -10.316
297 HE2 TYR 40 HE2 TYR 40 -12.015 2.390 -11.039
298 HH TYR 40 HH TYR 40 -12.136 3.812 -9.426
299 H CYS 41 H CYS 41 -5.809 3.094 -15.475
300 HA CYS 41 HA CYS 41 -3.633 3.928 -13.769
301 1HB CYS 41 1HB CYS 41 -3.294 2.888 -16.032
302 2HB CYS 41 2HB CYS 41 -3.970 4.338 -16.746
303 H TYR 42 H TYR 42 -4.309 5.690 -12.508
304 HA TYR 42 HA TYR 42 -5.713 7.881 -13.744
305 1HB TYR 42 1HB TYR 42 -5.066 6.790 -11.139
306 2HB TYR 42 2HB TYR 42 -4.339 8.384 -11.187
307 HD1 TYR 42 HD1 TYR 42 -7.601 6.856 -12.277
308 HD2 TYR 42 HD2 TYR 42 -5.623 10.053 -10.236
309 HE1 TYR 42 HE1 TYR 42 -9.850 7.904 -11.725
310 HE2 TYR 42 HE2 TYR 42 -7.880 11.091 -9.691
311 HH TYR 42 HH TYR 42 -10.889 9.514 -10.739
312 H ALA 43 H ALA 43 -4.426 10.086 -12.518
313 HA ALA 43 HA ALA 43 -2.600 10.776 -14.464
314 1HB ALA 43 1HB ALA 43 -2.966 11.831 -11.631
315 2HB ALA 43 2HB ALA 43 -2.065 12.663 -12.921
316 3HB ALA 43 3HB ALA 43 -3.816 12.392 -13.091
317 H PHE 44 H PHE 44 -1.097 9.025 -14.742
318 HA PHE 44 HA PHE 44 0.677 7.770 -14.300
319 1HB PHE 44 1HB PHE 44 1.542 10.292 -12.766
320 2HB PHE 44 2HB PHE 44 2.618 9.145 -13.541
321 HD1 PHE 44 HD1 PHE 44 2.299 8.869 -16.129
322 HD2 PHE 44 HD2 PHE 44 0.928 12.213 -13.906
323 HE1 PHE 44 HE1 PHE 44 2.254 10.244 -18.227
324 HE2 PHE 44 HE2 PHE 44 0.882 13.589 -16.005
325 HZ PHE 44 HZ PHE 44 1.545 12.588 -18.141
326 H ALA 45 H ALA 45 -1.371 7.232 -12.416
327 HA ALA 45 HA ALA 45 0.373 5.882 -10.598
328 1HB ALA 45 1HB ALA 45 0.032 8.009 -9.386
329 2HB ALA 45 2HB ALA 45 -1.731 7.792 -9.501
330 3HB ALA 45 3HB ALA 45 -0.755 6.652 -8.544
331 H CYS 46 H CYS 46 -0.548 3.915 -9.927
332 HA CYS 46 HA CYS 46 -2.867 3.250 -11.521
333 1HB CYS 46 1HB CYS 46 -1.039 1.780 -11.807
334 2HB CYS 46 2HB CYS 46 -0.784 1.618 -10.080
335 H TRP 47 H TRP 47 -4.768 3.825 -10.466
336 HA TRP 47 HA TRP 47 -4.918 3.587 -7.593
337 1HB TRP 47 1HB TRP 47 -5.870 5.537 -8.612
338 2HB TRP 47 2HB TRP 47 -6.850 4.567 -9.696
339 HD1 TRP 47 HD1 TRP 47 -8.855 3.035 -8.365
340 HE1 TRP 47 HE1 TRP 47 -10.385 3.617 -6.297
341 HE3 TRP 47 HE3 TRP 47 -5.910 6.773 -6.574
342 HZ2 TRP 47 HZ2 TRP 47 -10.197 5.534 -4.191
343 HZ3 TRP 47 HZ3 TRP 47 -6.656 7.949 -4.506
344 HH2 TRP 47 HH2 TRP 47 -8.720 7.384 -3.323
345 H CYS 48 H CYS 48 -5.329 1.612 -6.694
346 HA CYS 48 HA CYS 48 -6.837 -0.304 -8.273
347 1HB CYS 48 1HB CYS 48 -5.080 -0.508 -5.846
348 2HB CYS 48 2HB CYS 48 -6.229 -1.780 -6.213
349 H THR 49 H THR 49 -8.761 -1.386 -7.257
350 HA THR 49 HA THR 49 -10.155 0.209 -5.305
351 HB THR 49 HB THR 49 -10.150 1.705 -7.310
352 HG1 THR 49 HG1 THR 49 -12.462 1.882 -7.207
353 1HG2 THR 49 1HG2 THR 49 -10.249 -0.547 -8.867
354 2HG2 THR 49 2HG2 THR 49 -11.985 -0.170 -8.766
355 3HG2 THR 49 3HG2 THR 49 -10.849 1.034 -9.422
356 H HIS 50 H HIS 50 -9.467 -2.564 -5.431
357 HA HIS 50 HA HIS 50 -12.077 -3.267 -4.608
358 1HB HIS 50 1HB HIS 50 -11.045 -4.369 -7.166
359 2HB HIS 50 2HB HIS 50 -11.748 -5.531 -6.057
360 HD1 HIS 50 HD1 HIS 50 -14.219 -4.361 -4.987
361 HD2 HIS 50 HD2 HIS 50 -12.958 -3.520 -8.898
362 HE1 HIS 50 HE1 HIS 50 -16.296 -3.598 -6.260
363 H LEU 51 H LEU 51 -10.258 -2.932 -2.845
364 HA LEU 51 HA LEU 51 -8.609 -5.354 -2.674
365 1HB LEU 51 1HB LEU 51 -8.120 -2.663 -1.396
366 2HB LEU 51 2HB LEU 51 -7.042 -4.045 -1.399
367 HG LEU 51 HG LEU 51 -7.900 -2.764 -3.988
368 1HD1 LEU 51 1HD1 LEU 51 -7.058 -0.943 -2.595
369 2HD1 LEU 51 2HD1 LEU 51 -5.580 -1.873 -2.252
370 3HD1 LEU 51 3HD1 LEU 51 -5.922 -1.324 -3.911
371 1HD2 LEU 51 1HD2 LEU 51 -5.445 -4.343 -3.168
372 2HD2 LEU 51 2HD2 LEU 51 -6.813 -4.932 -4.144
373 3HD2 LEU 51 3HD2 LEU 51 -5.749 -3.655 -4.783
374 H TYR 52 H TYR 52 -7.959 -5.640 -0.125
375 HA TYR 52 HA TYR 52 -10.453 -5.375 1.404
376 1HB TYR 52 1HB TYR 52 -8.602 -6.910 2.849
377 2HB TYR 52 2HB TYR 52 -9.817 -7.592 1.784
378 HD1 TYR 52 HD1 TYR 52 -6.256 -6.709 2.124
379 HD2 TYR 52 HD2 TYR 52 -9.220 -8.474 -0.408
380 HE1 TYR 52 HE1 TYR 52 -4.428 -7.708 0.666
381 HE2 TYR 52 HE2 TYR 52 -7.381 -9.466 -1.857
382 HH TYR 52 HH TYR 52 -3.962 -8.976 -1.016
383 H GLU 53 H GLU 53 -9.606 -5.388 3.979
384 HA GLU 53 HA GLU 53 -8.943 -2.706 4.239
385 1HB GLU 53 1HB GLU 53 -9.094 -4.990 6.242
386 2HB GLU 53 2HB GLU 53 -8.755 -3.342 6.732
387 1HG GLU 53 1HG GLU 53 -10.891 -2.587 5.667
388 2HG GLU 53 2HG GLU 53 -11.231 -4.235 5.179
389 H GLN 54 H GLN 54 -6.987 -5.563 3.872
390 HA GLN 54 HA GLN 54 -4.708 -4.361 5.133
391 1HB GLN 54 1HB GLN 54 -5.526 -7.010 4.467
392 2HB GLN 54 2HB GLN 54 -4.077 -6.703 3.531
393 1HG GLN 54 1HG GLN 54 -4.288 -6.157 6.528
394 2HG GLN 54 2HG GLN 54 -3.668 -7.655 5.862
395 1HE2 GLN 54 1HE2 GLN 54 -1.358 -4.356 6.195
396 2HE2 GLN 54 2HE2 GLN 54 -2.971 -4.508 6.808
397 H ALA 55 H ALA 55 -6.236 -3.447 2.464
398 HA ALA 55 HA ALA 55 -4.254 -3.181 0.542
399 1HB ALA 55 1HB ALA 55 -6.429 -1.277 1.496
400 2HB ALA 55 2HB ALA 55 -5.476 -1.047 0.011
401 3HB ALA 55 3HB ALA 55 -6.542 -2.463 0.172
402 H ILE 56 H ILE 56 -2.268 -2.171 0.531
403 HA ILE 56 HA ILE 56 -2.051 0.146 2.328
404 HB ILE 56 HB ILE 56 0.214 -1.506 1.209
405 1HG1 ILE 56 1HG1 ILE 56 -1.268 -2.747 2.833
406 2HG1 ILE 56 2HG1 ILE 56 0.419 -2.609 3.288
407 1HG2 ILE 56 1HG2 ILE 56 0.110 0.755 3.222
408 2HG2 ILE 56 2HG2 ILE 56 1.532 -0.278 2.938
409 3HG2 ILE 56 3HG2 ILE 56 0.903 0.750 1.628
410 1HD1 ILE 56 1HD1 ILE 56 -1.718 -0.664 4.263
411 2HD1 ILE 56 2HD1 ILE 56 -1.242 -2.127 5.159
412 3HD1 ILE 56 3HD1 ILE 56 -0.053 -0.834 4.869
413 H VAL 57 H VAL 57 -1.459 2.128 1.414
414 HA VAL 57 HA VAL 57 -1.240 2.118 -1.508
415 HB VAL 57 HB VAL 57 -3.380 2.737 -1.566
416 1HG1 VAL 57 1HG1 VAL 57 -3.164 3.534 1.356
417 2HG1 VAL 57 2HG1 VAL 57 -4.660 3.607 0.394
418 3HG1 VAL 57 3HG1 VAL 57 -3.871 2.041 0.695
419 1HG2 VAL 57 1HG2 VAL 57 -2.220 4.838 -2.092
420 2HG2 VAL 57 2HG2 VAL 57 -3.793 5.143 -1.315
421 3HG2 VAL 57 3HG2 VAL 57 -2.289 5.311 -0.377
422 H TRP 58 H TRP 58 -0.142 4.022 -2.378
423 HA TRP 58 HA TRP 58 2.185 4.273 -0.865
424 1HB TRP 58 1HB TRP 58 2.205 4.249 -3.274
425 2HB TRP 58 2HB TRP 58 1.251 5.717 -3.349
426 HD1 TRP 58 HD1 TRP 58 4.847 4.541 -2.811
427 HE1 TRP 58 HE1 TRP 58 6.543 6.563 -2.791
428 HE3 TRP 58 HE3 TRP 58 1.308 8.191 -2.703
429 HZ2 TRP 58 HZ2 TRP 58 6.222 9.398 -2.734
430 HZ3 TRP 58 HZ3 TRP 58 2.084 10.560 -2.666
431 HH2 TRP 58 HH2 TRP 58 4.446 11.188 -2.680
432 HA PRO 59 HA PRO 59 3.677 5.320 -0.518
433 1HB PRO 59 1HB PRO 59 5.192 6.404 1.482
434 2HB PRO 59 2HB PRO 59 5.218 6.995 -0.167
435 1HG PRO 59 1HG PRO 59 3.937 8.194 2.212
436 2HG PRO 59 2HG PRO 59 4.337 8.950 0.683
437 1HD PRO 59 1HD PRO 59 1.737 8.108 1.549
438 2HD PRO 59 2HD PRO 59 2.158 8.757 -0.022
439 H LEU 60 H LEU 60 5.101 3.986 1.129
440 HA LEU 60 HA LEU 60 3.267 2.472 2.660
441 1HB LEU 60 1HB LEU 60 6.284 2.513 2.794
442 2HB LEU 60 2HB LEU 60 5.222 1.252 3.388
443 HG LEU 60 HG LEU 60 4.648 1.665 0.611
444 1HD1 LEU 60 1HD1 LEU 60 6.928 2.664 0.542
445 2HD1 LEU 60 2HD1 LEU 60 7.581 1.117 1.132
446 3HD1 LEU 60 3HD1 LEU 60 6.753 1.191 -0.443
447 1HD2 LEU 60 1HD2 LEU 60 4.217 -0.389 1.855
448 2HD2 LEU 60 2HD2 LEU 60 5.258 -0.702 0.446
449 3HD2 LEU 60 3HD2 LEU 60 5.965 -0.637 2.078
450 HA PRO 61 HA PRO 61 2.379 4.733 5.684
451 1HB PRO 61 1HB PRO 61 1.831 3.125 7.826
452 2HB PRO 61 2HB PRO 61 0.849 3.157 6.375
453 1HG PRO 61 1HG PRO 61 2.791 1.109 7.255
454 2HG PRO 61 2HG PRO 61 1.513 0.969 6.064
455 1HD PRO 61 1HD PRO 61 4.318 1.265 5.545
456 2HD PRO 61 2HD PRO 61 3.029 1.242 4.358
457 H ASN 62 H ASN 62 4.979 2.823 7.051
458 HA ASN 62 HA ASN 62 5.972 5.351 8.039
459 1HB ASN 62 1HB ASN 62 6.783 4.098 10.153
460 2HB ASN 62 2HB ASN 62 5.068 4.454 10.084
461 1HD2 ASN 62 1HD2 ASN 62 4.806 1.083 11.125
462 2HD2 ASN 62 2HD2 ASN 62 4.951 2.724 11.660
463 H LYS 63 H LYS 63 6.868 4.261 5.700
464 HA LYS 63 HA LYS 63 9.593 4.050 6.337
465 1HB LYS 63 1HB LYS 63 9.968 1.795 5.230
466 2HB LYS 63 2HB LYS 63 9.322 1.774 6.858
467 1HG LYS 63 1HG LYS 63 6.973 1.654 5.779
468 2HG LYS 63 2HG LYS 63 7.789 1.351 4.258
469 1HD LYS 63 1HD LYS 63 7.689 -0.849 4.873
470 2HD LYS 63 2HD LYS 63 9.068 -0.470 5.886
471 1HE LYS 63 1HE LYS 63 6.157 -0.266 6.799
472 2HE LYS 63 2HE LYS 63 7.196 -1.640 7.120
473 1HZ LYS 63 1HZ LYS 63 8.737 0.010 8.164
474 2HZ LYS 63 2HZ LYS 63 7.527 1.104 8.087
475 3HZ LYS 63 3HZ LYS 63 7.342 -0.259 8.968
476 H ARG 64 H ARG 64 10.914 3.793 4.208
477 HA ARG 64 HA ARG 64 9.360 5.357 2.306
478 1HB ARG 64 1HB ARG 64 11.634 6.507 1.844
479 2HB ARG 64 2HB ARG 64 10.865 6.883 3.374
480 1HG ARG 64 1HG ARG 64 12.385 5.586 4.623
481 2HG ARG 64 2HG ARG 64 12.777 4.545 3.268
482 1HD ARG 64 1HD ARG 64 13.510 7.499 3.219
483 2HD ARG 64 2HD ARG 64 14.544 6.332 4.018
484 HE ARG 64 HE ARG 64 13.816 5.480 1.327
485 1HH1 ARG 64 2HH1 ARG 64 15.830 7.864 2.923
486 2HH1 ARG 64 1HH1 ARG 64 17.172 7.652 1.847
487 1HH2 ARG 64 1HH2 ARG 64 15.636 5.109 -0.043
488 2HH2 ARG 64 2HH2 ARG 64 17.003 6.166 0.070
489 H CYS 65 H CYS 65 10.416 5.396 0.023
490 HA CYS 65 HA CYS 65 10.849 2.882 -0.978
491 1HB CYS 65 1HB CYS 65 10.253 4.825 -2.334
492 2HB CYS 65 2HB CYS 65 11.830 5.535 -2.052
493 H SER 66 H SER 66 12.633 1.515 -1.047
494 HA SER 66 HA SER 66 14.810 1.998 0.559
495 1HB SER 66 1HB SER 66 15.811 0.013 -0.551
496 2HB SER 66 2HB SER 66 14.131 -0.256 -0.128
497 HG SER 66 HG SER 66 13.510 -0.017 -2.286
498 1HN NH2 67 1H SER 66 14.946 1.602 -2.994
499 2HN NH2 67 2H SER 66 16.099 2.855 -3.308
No H/Q in entry = 499
Start of MODEL 10
1 1H LYS 1 1H LYS 1 -10.829 1.288 0.922
2 2H LYS 1 2H LYS 1 -11.056 1.649 2.522
3 3H LYS 1 3H LYS 1 -10.594 2.835 1.463
4 HA LYS 1 HA LYS 1 -8.774 2.211 2.763
5 1HB LYS 1 1HB LYS 1 -9.146 -0.588 1.666
6 2HB LYS 1 2HB LYS 1 -7.937 -0.052 2.817
7 1HG LYS 1 1HG LYS 1 -9.436 -0.750 4.397
8 2HG LYS 1 2HG LYS 1 -10.228 0.783 4.091
9 1HD LYS 1 1HD LYS 1 -11.887 -1.013 3.947
10 2HD LYS 1 2HD LYS 1 -11.669 -0.310 2.357
11 1HE LYS 1 1HE LYS 1 -9.729 -2.426 2.641
12 2HE LYS 1 2HE LYS 1 -11.276 -3.055 3.171
13 1HZ LYS 1 1HZ LYS 1 -12.220 -2.204 1.097
14 2HZ LYS 1 2HZ LYS 1 -10.734 -1.743 0.600
15 3HZ LYS 1 3HZ LYS 1 -11.060 -3.325 0.837
16 H GLU 2 H GLU 2 -9.868 2.710 -0.260
17 HA GLU 2 HA GLU 2 -7.889 1.219 -1.688
18 1HB GLU 2 1HB GLU 2 -10.341 2.819 -2.469
19 2HB GLU 2 2HB GLU 2 -9.203 2.297 -3.694
20 1HG GLU 2 1HG GLU 2 -11.059 0.656 -3.394
21 2HG GLU 2 2HG GLU 2 -9.496 -0.057 -3.048
22 H GLY 3 H GLY 3 -6.794 2.354 -3.665
23 1HA GLY 3 1HA GLY 3 -6.474 4.998 -4.065
24 2HA GLY 3 2HA GLY 3 -5.424 4.708 -2.693
25 H TYR 4 H TYR 4 -3.592 5.278 -4.101
26 HA TYR 4 HA TYR 4 -3.104 3.675 -6.424
27 1HB TYR 4 1HB TYR 4 -1.348 5.571 -4.742
28 2HB TYR 4 2HB TYR 4 -1.004 5.089 -6.392
29 HD1 TYR 4 HD1 TYR 4 -3.024 5.611 -8.106
30 HD2 TYR 4 HD2 TYR 4 -2.319 7.651 -4.413
31 HE1 TYR 4 HE1 TYR 4 -4.328 7.620 -8.959
32 HE2 TYR 4 HE2 TYR 4 -3.626 9.653 -5.278
33 HH TYR 4 HH TYR 4 -4.752 10.495 -6.910
34 H LEU 5 H LEU 5 -2.010 1.761 -6.546
35 HA LEU 5 HA LEU 5 -1.680 0.371 -4.160
36 1HB LEU 5 1HB LEU 5 -1.173 -1.454 -5.472
37 2HB LEU 5 2HB LEU 5 -2.196 -0.476 -6.503
38 HG LEU 5 HG LEU 5 0.553 0.242 -6.964
39 1HD1 LEU 5 1HD1 LEU 5 -0.044 -2.721 -7.181
40 2HD1 LEU 5 2HD1 LEU 5 1.372 -1.897 -7.879
41 3HD1 LEU 5 3HD1 LEU 5 1.152 -1.948 -6.113
42 1HD2 LEU 5 1HD2 LEU 5 -1.314 0.607 -8.515
43 2HD2 LEU 5 2HD2 LEU 5 0.002 -0.327 -9.268
44 3HD2 LEU 5 3HD2 LEU 5 -1.480 -1.152 -8.729
45 H VAL 6 H VAL 6 0.335 -0.674 -3.332
46 HA VAL 6 HA VAL 6 2.734 0.877 -3.989
47 HB VAL 6 HB VAL 6 1.733 1.689 -1.888
48 1HG1 VAL 6 1HG1 VAL 6 0.634 -0.380 -1.159
49 2HG1 VAL 6 2HG1 VAL 6 2.222 -1.136 -0.881
50 3HG1 VAL 6 3HG1 VAL 6 1.712 0.253 0.108
51 1HG2 VAL 6 1HG2 VAL 6 4.324 1.305 -2.416
52 2HG2 VAL 6 2HG2 VAL 6 3.758 1.967 -0.863
53 3HG2 VAL 6 3HG2 VAL 6 4.189 0.244 -0.992
54 H ASP 7 H ASP 7 4.711 -0.323 -3.902
55 HA ASP 7 HA ASP 7 4.392 -3.126 -4.149
56 1HB ASP 7 1HB ASP 7 6.135 -1.665 -5.328
57 2HB ASP 7 2HB ASP 7 6.962 -1.517 -3.790
58 H LYS 8 H LYS 8 5.422 -4.735 -2.669
59 HA LYS 8 HA LYS 8 5.111 -3.797 0.066
60 1HB LYS 8 1HB LYS 8 4.669 -6.329 -1.394
61 2HB LYS 8 2HB LYS 8 5.341 -6.519 0.213
62 1HG LYS 8 1HG LYS 8 2.985 -4.658 -0.238
63 2HG LYS 8 2HG LYS 8 2.722 -6.384 -0.088
64 1HD LYS 8 1HD LYS 8 3.678 -6.437 2.137
65 2HD LYS 8 2HD LYS 8 4.327 -4.817 1.974
66 1HE LYS 8 1HE LYS 8 2.305 -4.720 3.353
67 2HE LYS 8 2HE LYS 8 1.991 -3.904 1.834
68 1HZ LYS 8 1HZ LYS 8 1.329 -6.729 2.242
69 2HZ LYS 8 2HZ LYS 8 0.280 -5.528 2.596
70 3HZ LYS 8 3HZ LYS 8 0.796 -5.737 1.060
71 H ASN 9 H ASN 9 7.573 -4.453 -2.234
72 HA ASN 9 HA ASN 9 9.394 -5.392 -0.193
73 1HB ASN 9 1HB ASN 9 9.162 -5.644 -3.123
74 2HB ASN 9 2HB ASN 9 10.781 -5.163 -2.656
75 1HD2 ASN 9 1HD2 ASN 9 11.659 -8.139 -0.990
76 2HD2 ASN 9 2HD2 ASN 9 11.961 -6.441 -1.161
77 H THR 10 H THR 10 9.658 -3.181 -3.089
78 HA THR 10 HA THR 10 11.693 -1.664 -1.692
79 HB THR 10 HB THR 10 11.578 -0.512 -4.098
80 HG1 THR 10 HG1 THR 10 9.584 -1.523 -4.721
81 1HG2 THR 10 1HG2 THR 10 12.344 -3.466 -3.819
82 2HG2 THR 10 2HG2 THR 10 12.906 -2.357 -5.092
83 3HG2 THR 10 3HG2 THR 10 13.409 -2.101 -3.404
84 H GLY 11 H GLY 11 8.283 -1.577 -2.028
85 1HA GLY 11 1HA GLY 11 6.752 -0.047 -1.428
86 2HA GLY 11 2HA GLY 11 7.995 0.666 -0.419
87 H CYS 12 H CYS 12 8.235 0.341 -3.986
88 HA CYS 12 HA CYS 12 8.237 3.260 -4.114
89 1HB CYS 12 1HB CYS 12 9.939 1.265 -5.229
90 2HB CYS 12 2HB CYS 12 9.113 2.059 -6.554
91 H LYS 13 H LYS 13 6.822 4.322 -5.597
92 HA LYS 13 HA LYS 13 4.456 2.959 -6.272
93 1HB LYS 13 1HB LYS 13 3.766 5.031 -7.242
94 2HB LYS 13 2HB LYS 13 4.651 5.393 -5.774
95 1HG LYS 13 1HG LYS 13 6.723 5.798 -7.162
96 2HG LYS 13 2HG LYS 13 5.779 5.517 -8.611
97 1HD LYS 13 1HD LYS 13 4.424 7.467 -8.248
98 2HD LYS 13 2HD LYS 13 4.926 7.609 -6.574
99 1HE LYS 13 1HE LYS 13 6.118 9.305 -7.841
100 2HE LYS 13 2HE LYS 13 7.284 8.087 -7.366
101 1HZ LYS 13 1HZ LYS 13 5.952 8.196 -9.983
102 2HZ LYS 13 2HZ LYS 13 7.480 8.688 -9.684
103 3HZ LYS 13 3HZ LYS 13 7.087 7.110 -9.537
104 H TYR 14 H TYR 14 3.578 2.846 -8.578
105 HA TYR 14 HA TYR 14 5.675 1.546 -10.155
106 1HB TYR 14 1HB TYR 14 2.640 1.406 -9.794
107 2HB TYR 14 2HB TYR 14 3.341 0.755 -11.262
108 HD1 TYR 14 HD1 TYR 14 3.527 0.484 -7.539
109 HD2 TYR 14 HD2 TYR 14 4.201 -1.433 -11.303
110 HE1 TYR 14 HE1 TYR 14 4.013 -1.708 -6.344
111 HE2 TYR 14 HE2 TYR 14 4.684 -3.618 -10.096
112 HH TYR 14 HH TYR 14 5.251 -3.752 -6.770
113 H GLU 15 H GLU 15 2.992 3.953 -10.325
114 HA GLU 15 HA GLU 15 2.761 5.706 -11.585
115 1HB GLU 15 1HB GLU 15 5.189 6.069 -11.009
116 2HB GLU 15 2HB GLU 15 5.636 5.260 -12.499
117 1HG GLU 15 1HG GLU 15 4.496 6.965 -13.844
118 2HG GLU 15 2HG GLU 15 3.819 7.712 -12.411
119 H CYS 16 H CYS 16 1.158 4.672 -12.912
120 HA CYS 16 HA CYS 16 1.948 3.301 -15.271
121 1HB CYS 16 1HB CYS 16 -0.133 2.742 -14.205
122 2HB CYS 16 2HB CYS 16 -0.711 4.391 -14.335
123 H LEU 17 H LEU 17 3.428 4.870 -16.276
124 HA LEU 17 HA LEU 17 2.747 7.364 -17.177
125 1HB LEU 17 1HB LEU 17 4.327 6.991 -18.949
126 2HB LEU 17 2HB LEU 17 4.933 6.347 -17.435
127 HG LEU 17 HG LEU 17 3.753 4.123 -18.514
128 1HD1 LEU 17 1HD1 LEU 17 3.224 5.283 -20.606
129 2HD1 LEU 17 2HD1 LEU 17 4.947 5.668 -20.833
130 3HD1 LEU 17 3HD1 LEU 17 4.402 3.974 -20.862
131 1HD2 LEU 17 1HD2 LEU 17 6.607 5.080 -18.870
132 2HD2 LEU 17 2HD2 LEU 17 5.943 4.191 -17.478
133 3HD2 LEU 17 3HD2 LEU 17 6.045 3.403 -19.072
134 H LYS 18 H LYS 18 1.739 8.169 -19.122
135 HA LYS 18 HA LYS 18 -0.073 8.340 -20.368
136 1HB LYS 18 1HB LYS 18 1.176 6.573 -21.674
137 2HB LYS 18 2HB LYS 18 0.168 5.368 -20.899
138 1HG LYS 18 1HG LYS 18 -1.877 6.620 -21.752
139 2HG LYS 18 2HG LYS 18 -0.803 7.685 -22.636
140 1HD LYS 18 1HD LYS 18 0.106 5.765 -23.915
141 2HD LYS 18 2HD LYS 18 -0.875 4.651 -22.983
142 1HE LYS 18 1HE LYS 18 -2.089 5.005 -25.019
143 2HE LYS 18 2HE LYS 18 -2.939 5.945 -23.810
144 1HZ LYS 18 1HZ LYS 18 -0.882 7.068 -25.578
145 2HZ LYS 18 2HZ LYS 18 -2.484 7.142 -25.886
146 3HZ LYS 18 3HZ LYS 18 -1.868 7.897 -24.576
147 H LEU 19 H LEU 19 -1.375 8.949 -18.558
148 HA LEU 19 HA LEU 19 -2.814 7.104 -17.032
149 1HB LEU 19 1HB LEU 19 -4.119 8.944 -16.342
150 2HB LEU 19 2HB LEU 19 -2.465 9.497 -16.515
151 HG LEU 19 HG LEU 19 -3.539 10.090 -18.989
152 1HD1 LEU 19 1HD1 LEU 19 -5.791 9.498 -18.244
153 2HD1 LEU 19 2HD1 LEU 19 -5.664 10.663 -16.906
154 3HD1 LEU 19 3HD1 LEU 19 -5.658 11.239 -18.589
155 1HD2 LEU 19 1HD2 LEU 19 -2.046 11.498 -17.644
156 2HD2 LEU 19 2HD2 LEU 19 -3.444 12.414 -18.258
157 3HD2 LEU 19 3HD2 LEU 19 -3.399 11.893 -16.556
158 H GLY 20 H GLY 20 -5.171 6.628 -17.166
159 1HA GLY 20 1HA GLY 20 -7.174 6.592 -18.399
160 2HA GLY 20 2HA GLY 20 -6.278 6.848 -19.883
161 H ASP 21 H ASP 21 -4.313 4.949 -19.970
162 HA ASP 21 HA ASP 21 -5.984 2.918 -20.910
163 1HB ASP 21 1HB ASP 21 -2.950 3.135 -20.664
164 2HB ASP 21 2HB ASP 21 -3.743 1.799 -21.476
165 H ASN 22 H ASN 22 -6.997 1.746 -19.190
166 HA ASN 22 HA ASN 22 -5.415 1.045 -16.919
167 1HB ASN 22 1HB ASN 22 -7.590 0.034 -16.102
168 2HB ASN 22 2HB ASN 22 -7.746 1.720 -16.552
169 1HD2 ASN 22 1HD2 ASN 22 -10.368 -0.725 -18.026
170 2HD2 ASN 22 2HD2 ASN 22 -9.599 -0.665 -16.475
171 H ASP 23 H ASP 23 -4.062 -0.255 -18.782
172 HA ASP 23 HA ASP 23 -5.174 -2.937 -18.879
173 1HB ASP 23 1HB ASP 23 -4.397 -2.279 -21.039
174 2HB ASP 23 2HB ASP 23 -2.967 -1.501 -20.387
175 H TYR 24 H TYR 24 -1.927 -1.305 -18.475
176 HA TYR 24 HA TYR 24 -0.734 -3.504 -17.231
177 1HB TYR 24 1HB TYR 24 -0.226 -0.464 -17.145
178 2HB TYR 24 2HB TYR 24 0.957 -1.653 -16.637
179 HD1 TYR 24 HD1 TYR 24 1.522 -3.508 -18.482
180 HD2 TYR 24 HD2 TYR 24 -0.092 0.367 -19.312
181 HE1 TYR 24 HE1 TYR 24 2.399 -3.644 -20.864
182 HE2 TYR 24 HE2 TYR 24 0.792 0.218 -21.691
183 HH TYR 24 HH TYR 24 2.436 -2.718 -22.822
184 H CYS 25 H CYS 25 -2.404 -0.590 -15.917
185 HA CYS 25 HA CYS 25 -1.904 -0.989 -13.252
186 1HB CYS 25 1HB CYS 25 -3.058 0.961 -14.172
187 2HB CYS 25 2HB CYS 25 -4.453 -0.025 -14.564
188 H LEU 26 H LEU 26 -4.623 -2.291 -15.301
189 HA LEU 26 HA LEU 26 -5.893 -3.620 -13.233
190 1HB LEU 26 1HB LEU 26 -6.310 -3.145 -15.928
191 2HB LEU 26 2HB LEU 26 -6.164 -4.890 -15.847
192 HG LEU 26 HG LEU 26 -8.062 -3.271 -14.127
193 1HD1 LEU 26 1HD1 LEU 26 -8.662 -3.004 -16.472
194 2HD1 LEU 26 2HD1 LEU 26 -8.626 -4.769 -16.702
195 3HD1 LEU 26 3HD1 LEU 26 -9.845 -4.036 -15.632
196 1HD2 LEU 26 1HD2 LEU 26 -7.841 -6.250 -14.637
197 2HD2 LEU 26 2HD2 LEU 26 -7.475 -5.393 -13.120
198 3HD2 LEU 26 3HD2 LEU 26 -9.147 -5.454 -13.728
199 H ARG 27 H ARG 27 -3.238 -4.636 -15.427
200 HA ARG 27 HA ARG 27 -3.357 -7.317 -14.724
201 1HB ARG 27 1HB ARG 27 -1.770 -5.629 -16.411
202 2HB ARG 27 2HB ARG 27 -0.638 -6.480 -15.378
203 1HG ARG 27 1HG ARG 27 -2.058 -8.621 -15.990
204 2HG ARG 27 2HG ARG 27 -2.666 -7.646 -17.313
205 1HD ARG 27 1HD ARG 27 -0.787 -8.745 -18.262
206 2HD ARG 27 2HD ARG 27 -0.167 -7.153 -17.875
207 HE ARG 27 HE ARG 27 0.504 -9.682 -16.507
208 1HH1 ARG 27 2HH1 ARG 27 1.658 -6.555 -17.243
209 2HH1 ARG 27 1HH1 ARG 27 2.364 -6.229 -15.695
210 1HH2 ARG 27 1HH2 ARG 27 1.442 -9.345 -14.322
211 2HH2 ARG 27 2HH2 ARG 27 2.346 -7.890 -14.061
212 H GLU 28 H GLU 28 -1.092 -4.660 -13.671
213 HA GLU 28 HA GLU 28 0.394 -6.246 -11.998
214 1HB GLU 28 1HB GLU 28 0.069 -3.381 -12.547
215 2HB GLU 28 2HB GLU 28 0.463 -3.669 -10.864
216 1HG GLU 28 1HG GLU 28 2.530 -3.416 -12.187
217 2HG GLU 28 2HG GLU 28 2.428 -5.040 -11.536
218 H CYS 29 H CYS 29 -2.624 -4.389 -11.408
219 HA CYS 29 HA CYS 29 -2.660 -4.568 -8.655
220 1HB CYS 29 1HB CYS 29 -4.185 -3.278 -10.298
221 2HB CYS 29 2HB CYS 29 -5.151 -4.741 -10.334
222 H LYS 30 H LYS 30 -3.824 -6.818 -11.243
223 HA LYS 30 HA LYS 30 -5.054 -8.574 -9.375
224 1HB LYS 30 1HB LYS 30 -5.266 -8.095 -12.083
225 2HB LYS 30 2HB LYS 30 -4.437 -9.638 -12.047
226 1HG LYS 30 1HG LYS 30 -6.182 -10.620 -10.634
227 2HG LYS 30 2HG LYS 30 -6.955 -9.062 -10.420
228 1HD LYS 30 1HD LYS 30 -6.562 -10.164 -13.217
229 2HD LYS 30 2HD LYS 30 -7.882 -10.760 -12.232
230 1HE LYS 30 1HE LYS 30 -7.427 -7.776 -12.654
231 2HE LYS 30 2HE LYS 30 -8.373 -8.731 -13.780
232 1HZ LYS 30 1HZ LYS 30 -9.655 -9.453 -11.756
233 2HZ LYS 30 2HZ LYS 30 -8.926 -8.233 -10.951
234 3HZ LYS 30 3HZ LYS 30 -9.873 -7.909 -12.241
235 H GLN 31 H GLN 31 -1.843 -8.255 -10.874
236 HA GLN 31 HA GLN 31 -1.220 -10.929 -9.901
237 1HB GLN 31 1HB GLN 31 -0.775 -9.660 -12.416
238 2HB GLN 31 2HB GLN 31 0.804 -9.831 -11.674
239 1HG GLN 31 1HG GLN 31 0.368 -12.255 -11.278
240 2HG GLN 31 2HG GLN 31 -1.228 -12.093 -11.982
241 1HE2 GLN 31 1HE2 GLN 31 0.902 -13.466 -14.624
242 2HE2 GLN 31 2HE2 GLN 31 0.248 -13.926 -13.088
243 H GLN 32 H GLN 32 -1.298 -8.566 -8.155
244 HA GLN 32 HA GLN 32 1.176 -9.212 -6.955
245 1HB GLN 32 1HB GLN 32 2.370 -7.269 -7.145
246 2HB GLN 32 2HB GLN 32 1.428 -7.072 -8.610
247 1HG GLN 32 1HG GLN 32 1.101 -5.005 -7.528
248 2HG GLN 32 2HG GLN 32 -0.340 -5.892 -7.075
249 1HE2 GLN 32 1HE2 GLN 32 0.563 -4.552 -3.896
250 2HE2 GLN 32 2HE2 GLN 32 -0.248 -4.183 -5.382
251 H TYR 33 H TYR 33 -1.829 -7.260 -7.069
252 HA TYR 33 HA TYR 33 -1.976 -7.487 -4.142
253 1HB TYR 33 1HB TYR 33 -2.490 -5.443 -6.132
254 2HB TYR 33 2HB TYR 33 -4.060 -5.926 -5.519
255 HD1 TYR 33 HD1 TYR 33 -3.180 -6.572 -2.654
256 HD2 TYR 33 HD2 TYR 33 -2.373 -3.248 -5.224
257 HE1 TYR 33 HE1 TYR 33 -2.844 -5.075 -0.626
258 HE2 TYR 33 HE2 TYR 33 -2.040 -1.764 -3.187
259 HH TYR 33 HH TYR 33 -2.063 -1.631 -1.038
260 H GLY 34 H GLY 34 -2.599 -9.580 -6.407
261 1HA GLY 34 1HA GLY 34 -3.636 -11.466 -5.371
262 2HA GLY 34 2HA GLY 34 -4.931 -10.428 -4.806
263 H LYS 35 H LYS 35 -4.901 -12.922 -6.583
264 HA LYS 35 HA LYS 35 -5.468 -12.000 -9.216
265 1HB LYS 35 1HB LYS 35 -5.806 -14.699 -7.876
266 2HB LYS 35 2HB LYS 35 -6.094 -14.400 -9.579
267 1HG LYS 35 1HG LYS 35 -3.702 -13.473 -9.717
268 2HG LYS 35 2HG LYS 35 -3.457 -14.054 -8.081
269 1HD LYS 35 1HD LYS 35 -4.383 -15.850 -10.370
270 2HD LYS 35 2HD LYS 35 -2.699 -15.649 -9.930
271 1HE LYS 35 1HE LYS 35 -3.317 -16.384 -7.558
272 2HE LYS 35 2HE LYS 35 -4.922 -16.758 -8.153
273 1HZ LYS 35 1HZ LYS 35 -3.891 -18.256 -9.748
274 2HZ LYS 35 2HZ LYS 35 -2.414 -17.936 -9.130
275 3HZ LYS 35 3HZ LYS 35 -3.538 -18.685 -8.213
276 H GLY 36 H GLY 36 -7.049 -10.308 -8.221
277 1HA GLY 36 1HA GLY 36 -9.675 -11.237 -8.909
278 2HA GLY 36 2HA GLY 36 -9.515 -10.886 -7.200
279 H ALA 37 H ALA 37 -7.682 -8.684 -7.237
280 HA ALA 37 HA ALA 37 -9.814 -6.845 -7.341
281 1HB ALA 37 1HB ALA 37 -8.042 -6.874 -5.607
282 2HB ALA 37 2HB ALA 37 -6.841 -6.416 -6.838
283 3HB ALA 37 3HB ALA 37 -8.151 -5.289 -6.411
284 H GLY 38 H GLY 38 -9.287 -4.496 -8.280
285 1HA GLY 38 1HA GLY 38 -7.881 -4.650 -10.839
286 2HA GLY 38 2HA GLY 38 -9.597 -4.298 -10.885
287 H GLY 39 H GLY 39 -8.899 -2.159 -11.844
288 1HA GLY 39 1HA GLY 39 -8.346 -0.013 -10.178
289 2HA GLY 39 2HA GLY 39 -6.799 -0.726 -10.588
290 H TYR 40 H TYR 40 -7.044 1.774 -11.503
291 HA TYR 40 HA TYR 40 -6.840 1.238 -14.321
292 1HB TYR 40 1HB TYR 40 -8.289 3.540 -14.491
293 2HB TYR 40 2HB TYR 40 -9.085 1.978 -14.499
294 HD1 TYR 40 HD1 TYR 40 -7.934 4.628 -12.109
295 HD2 TYR 40 HD2 TYR 40 -10.784 1.552 -12.957
296 HE1 TYR 40 HE1 TYR 40 -9.272 5.291 -10.052
297 HE2 TYR 40 HE2 TYR 40 -12.113 2.225 -10.897
298 HH TYR 40 HH TYR 40 -12.196 3.486 -9.146
299 H CYS 41 H CYS 41 -5.994 3.284 -15.489
300 HA CYS 41 HA CYS 41 -3.872 4.246 -13.793
301 1HB CYS 41 1HB CYS 41 -4.363 4.462 -16.768
302 2HB CYS 41 2HB CYS 41 -2.988 5.180 -15.952
303 H TYR 42 H TYR 42 -4.721 5.919 -12.453
304 HA TYR 42 HA TYR 42 -5.888 8.220 -13.740
305 1HB TYR 42 1HB TYR 42 -5.215 7.124 -11.072
306 2HB TYR 42 2HB TYR 42 -4.693 8.794 -11.185
307 HD1 TYR 42 HD1 TYR 42 -6.720 10.174 -12.675
308 HD2 TYR 42 HD2 TYR 42 -7.193 6.973 -9.876
309 HE1 TYR 42 HE1 TYR 42 -9.094 10.942 -12.187
310 HE2 TYR 42 HE2 TYR 42 -9.566 7.752 -9.397
311 HH TYR 42 HH TYR 42 -10.903 10.590 -11.074
312 H ALA 43 H ALA 43 -4.519 10.360 -12.634
313 HA ALA 43 HA ALA 43 -2.679 10.779 -14.638
314 1HB ALA 43 1HB ALA 43 -2.995 12.140 -11.931
315 2HB ALA 43 2HB ALA 43 -2.075 12.801 -13.306
316 3HB ALA 43 3HB ALA 43 -3.835 12.570 -13.441
317 H PHE 44 H PHE 44 -1.193 9.012 -14.763
318 HA PHE 44 HA PHE 44 0.739 8.017 -14.389
319 1HB PHE 44 1HB PHE 44 1.389 10.490 -12.690
320 2HB PHE 44 2HB PHE 44 2.530 9.528 -13.608
321 HD1 PHE 44 HD1 PHE 44 1.848 9.382 -16.234
322 HD2 PHE 44 HD2 PHE 44 0.843 12.536 -13.578
323 HE1 PHE 44 HE1 PHE 44 1.592 10.942 -18.184
324 HE2 PHE 44 HE2 PHE 44 0.588 14.096 -15.528
325 HZ PHE 44 HZ PHE 44 0.966 13.279 -17.807
326 H ALA 45 H ALA 45 -1.386 7.418 -12.467
327 HA ALA 45 HA ALA 45 0.392 5.894 -10.842
328 1HB ALA 45 1HB ALA 45 -1.494 7.892 -9.530
329 2HB ALA 45 2HB ALA 45 -0.670 6.567 -8.675
330 3HB ALA 45 3HB ALA 45 0.282 7.870 -9.422
331 H CYS 46 H CYS 46 -0.529 3.899 -10.403
332 HA CYS 46 HA CYS 46 -3.058 3.464 -11.700
333 1HB CYS 46 1HB CYS 46 -1.510 1.832 -12.255
334 2HB CYS 46 2HB CYS 46 -0.879 1.711 -10.625
335 H TRP 47 H TRP 47 -4.875 3.955 -10.497
336 HA TRP 47 HA TRP 47 -4.842 3.554 -7.635
337 1HB TRP 47 1HB TRP 47 -5.912 5.529 -8.526
338 2HB TRP 47 2HB TRP 47 -6.963 4.558 -9.539
339 HD1 TRP 47 HD1 TRP 47 -8.448 2.627 -7.780
340 HE1 TRP 47 HE1 TRP 47 -9.911 3.212 -5.664
341 HE3 TRP 47 HE3 TRP 47 -6.254 7.119 -6.856
342 HZ2 TRP 47 HZ2 TRP 47 -9.985 5.439 -3.881
343 HZ3 TRP 47 HZ3 TRP 47 -7.080 8.436 -4.908
344 HH2 TRP 47 HH2 TRP 47 -8.880 7.663 -3.445
345 H CYS 48 H CYS 48 -5.317 1.593 -6.735
346 HA CYS 48 HA CYS 48 -6.821 -0.295 -8.364
347 1HB CYS 48 1HB CYS 48 -5.024 -0.567 -5.974
348 2HB CYS 48 2HB CYS 48 -6.195 -1.819 -6.337
349 H THR 49 H THR 49 -8.836 -1.195 -7.556
350 HA THR 49 HA THR 49 -10.061 0.301 -5.376
351 HB THR 49 HB THR 49 -10.289 1.840 -7.269
352 HG1 THR 49 HG1 THR 49 -12.212 1.451 -5.974
353 1HG2 THR 49 1HG2 THR 49 -10.802 -0.699 -8.754
354 2HG2 THR 49 2HG2 THR 49 -11.931 0.625 -9.132
355 3HG2 THR 49 3HG2 THR 49 -10.180 0.855 -9.358
356 H HIS 50 H HIS 50 -9.378 -2.465 -5.515
357 HA HIS 50 HA HIS 50 -11.951 -3.152 -4.541
358 1HB HIS 50 1HB HIS 50 -12.149 -3.788 -6.950
359 2HB HIS 50 2HB HIS 50 -10.816 -4.904 -6.737
360 HD1 HIS 50 HD1 HIS 50 -14.379 -4.329 -5.502
361 HD2 HIS 50 HD2 HIS 50 -11.508 -7.380 -5.716
362 HE1 HIS 50 HE1 HIS 50 -15.560 -6.474 -4.784
363 H LEU 51 H LEU 51 -10.151 -2.747 -2.812
364 HA LEU 51 HA LEU 51 -8.375 -5.077 -2.644
365 1HB LEU 51 1HB LEU 51 -7.996 -2.315 -1.483
366 2HB LEU 51 2HB LEU 51 -6.859 -3.646 -1.402
367 HG LEU 51 HG LEU 51 -7.766 -2.524 -4.052
368 1HD1 LEU 51 1HD1 LEU 51 -6.909 -0.663 -2.657
369 2HD1 LEU 51 2HD1 LEU 51 -5.381 -1.553 -2.458
370 3HD1 LEU 51 3HD1 LEU 51 -5.890 -1.010 -4.075
371 1HD2 LEU 51 1HD2 LEU 51 -5.354 -4.117 -3.151
372 2HD2 LEU 51 2HD2 LEU 51 -6.671 -4.641 -4.229
373 3HD2 LEU 51 3HD2 LEU 51 -5.527 -3.387 -4.766
374 H TYR 52 H TYR 52 -7.666 -5.411 -0.185
375 HA TYR 52 HA TYR 52 -10.173 -5.491 1.342
376 1HB TYR 52 1HB TYR 52 -8.201 -7.086 2.572
377 2HB TYR 52 2HB TYR 52 -9.413 -7.694 1.464
378 HD1 TYR 52 HD1 TYR 52 -8.851 -8.189 -0.875
379 HD2 TYR 52 HD2 TYR 52 -5.889 -6.746 1.853
380 HE1 TYR 52 HE1 TYR 52 -7.014 -8.894 -2.485
381 HE2 TYR 52 HE2 TYR 52 -4.061 -7.456 0.234
382 HH TYR 52 HH TYR 52 -4.858 -8.640 -2.975
383 H GLU 53 H GLU 53 -9.306 -5.830 3.901
384 HA GLU 53 HA GLU 53 -8.919 -3.215 4.620
385 1HB GLU 53 1HB GLU 53 -8.723 -4.052 6.905
386 2HB GLU 53 2HB GLU 53 -9.937 -4.987 6.055
387 1HG GLU 53 1HG GLU 53 -8.078 -6.697 5.529
388 2HG GLU 53 2HG GLU 53 -7.064 -5.815 6.655
389 H GLN 54 H GLN 54 -6.613 -5.621 3.601
390 HA GLN 54 HA GLN 54 -4.432 -4.132 4.772
391 1HB GLN 54 1HB GLN 54 -4.847 -6.861 4.087
392 2HB GLN 54 2HB GLN 54 -3.614 -6.283 2.984
393 1HG GLN 54 1HG GLN 54 -3.503 -5.842 6.003
394 2HG GLN 54 2HG GLN 54 -2.736 -7.198 5.199
395 1HE2 GLN 54 1HE2 GLN 54 -0.952 -3.595 5.408
396 2HE2 GLN 54 2HE2 GLN 54 -2.429 -4.019 6.207
397 H ALA 55 H ALA 55 -6.222 -2.960 2.657
398 HA ALA 55 HA ALA 55 -4.429 -2.586 0.447
399 1HB ALA 55 1HB ALA 55 -6.971 -2.365 0.421
400 2HB ALA 55 2HB ALA 55 -6.758 -0.841 1.315
401 3HB ALA 55 3HB ALA 55 -6.069 -1.019 -0.315
402 H ILE 56 H ILE 56 -2.393 -1.873 1.186
403 HA ILE 56 HA ILE 56 -2.444 0.774 2.418
404 HB ILE 56 HB ILE 56 -0.063 -0.914 1.655
405 1HG1 ILE 56 1HG1 ILE 56 -1.446 -2.178 3.214
406 2HG1 ILE 56 2HG1 ILE 56 0.031 -1.637 3.985
407 1HG2 ILE 56 1HG2 ILE 56 -0.443 1.600 3.275
408 2HG2 ILE 56 2HG2 ILE 56 0.967 0.538 3.507
409 3HG2 ILE 56 3HG2 ILE 56 0.669 1.289 1.921
410 1HD1 ILE 56 1HD1 ILE 56 -1.246 0.337 4.932
411 2HD1 ILE 56 2HD1 ILE 56 -2.734 -0.378 4.266
412 3HD1 ILE 56 3HD1 ILE 56 -1.814 -1.243 5.521
413 H VAL 57 H VAL 57 -1.530 2.618 1.341
414 HA VAL 57 HA VAL 57 -1.340 2.280 -1.563
415 HB VAL 57 HB VAL 57 -3.418 3.071 -1.702
416 1HG1 VAL 57 1HG1 VAL 57 -3.132 4.135 1.127
417 2HG1 VAL 57 2HG1 VAL 57 -4.617 4.242 0.152
418 3HG1 VAL 57 3HG1 VAL 57 -3.966 2.650 0.611
419 1HG2 VAL 57 1HG2 VAL 57 -2.042 5.009 -2.400
420 2HG2 VAL 57 2HG2 VAL 57 -3.625 5.497 -1.747
421 3HG2 VAL 57 3HG2 VAL 57 -2.159 5.667 -0.750
422 H TRP 58 H TRP 58 0.017 3.917 -2.611
423 HA TRP 58 HA TRP 58 2.294 3.803 -1.007
424 1HB TRP 58 1HB TRP 58 2.415 3.486 -3.376
425 2HB TRP 58 2HB TRP 58 1.771 5.085 -3.689
426 HD1 TRP 58 HD1 TRP 58 5.049 3.322 -2.882
427 HE1 TRP 58 HE1 TRP 58 7.106 4.971 -2.985
428 HE3 TRP 58 HE3 TRP 58 2.290 7.578 -3.240
429 HZ2 TRP 58 HZ2 TRP 58 7.344 7.806 -3.199
430 HZ3 TRP 58 HZ3 TRP 58 3.512 9.745 -3.390
431 HH2 TRP 58 HH2 TRP 58 5.951 9.902 -3.374
432 HA PRO 59 HA PRO 59 3.990 4.525 -0.715
433 1HB PRO 59 1HB PRO 59 5.657 5.447 1.244
434 2HB PRO 59 2HB PRO 59 5.860 5.843 -0.450
435 1HG PRO 59 1HG PRO 59 4.819 7.538 1.737
436 2HG PRO 59 2HG PRO 59 5.423 8.023 0.164
437 1HD PRO 59 1HD PRO 59 2.677 7.875 0.978
438 2HD PRO 59 2HD PRO 59 3.275 8.247 -0.626
439 H LEU 60 H LEU 60 5.160 3.300 1.381
440 HA LEU 60 HA LEU 60 3.006 3.051 3.342
441 1HB LEU 60 1HB LEU 60 5.500 1.469 3.575
442 2HB LEU 60 2HB LEU 60 3.839 1.023 3.908
443 HG LEU 60 HG LEU 60 3.808 1.341 1.169
444 1HD1 LEU 60 1HD1 LEU 60 6.553 0.497 2.026
445 2HD1 LEU 60 2HD1 LEU 60 5.831 -0.207 0.559
446 3HD1 LEU 60 3HD1 LEU 60 6.046 1.555 0.687
447 1HD2 LEU 60 1HD2 LEU 60 4.298 -1.172 2.787
448 2HD2 LEU 60 2HD2 LEU 60 2.723 -0.451 2.379
449 3HD2 LEU 60 3HD2 LEU 60 3.751 -1.127 1.094
450 HA PRO 61 HA PRO 61 4.805 5.647 6.091
451 1HB PRO 61 1HB PRO 61 4.243 4.596 8.550
452 2HB PRO 61 2HB PRO 61 3.046 5.402 7.555
453 1HG PRO 61 1HG PRO 61 3.385 2.510 8.071
454 2HG PRO 61 2HG PRO 61 1.983 3.359 7.449
455 1HD PRO 61 1HD PRO 61 3.849 1.791 5.938
456 2HD PRO 61 2HD PRO 61 2.515 2.733 5.302
457 H ASN 62 H ASN 62 5.849 2.382 6.961
458 HA ASN 62 HA ASN 62 7.885 3.707 8.547
459 1HB ASN 62 1HB ASN 62 8.022 1.504 9.755
460 2HB ASN 62 2HB ASN 62 6.403 2.171 9.791
461 1HD2 ASN 62 1HD2 ASN 62 6.681 -1.533 8.744
462 2HD2 ASN 62 2HD2 ASN 62 7.527 -0.603 9.934
463 H LYS 63 H LYS 63 7.565 2.544 5.494
464 HA LYS 63 HA LYS 63 10.361 2.174 5.220
465 1HB LYS 63 1HB LYS 63 10.242 -0.129 4.249
466 2HB LYS 63 2HB LYS 63 10.005 -0.055 5.984
467 1HG LYS 63 1HG LYS 63 7.695 -0.509 5.834
468 2HG LYS 63 2HG LYS 63 7.575 0.084 4.189
469 1HD LYS 63 1HD LYS 63 9.237 -2.379 4.835
470 2HD LYS 63 2HD LYS 63 7.505 -2.505 4.593
471 1HE LYS 63 1HE LYS 63 7.676 -1.616 2.326
472 2HE LYS 63 2HE LYS 63 9.356 -1.176 2.562
473 1HZ LYS 63 1HZ LYS 63 9.679 -3.635 3.007
474 2HZ LYS 63 2HZ LYS 63 8.215 -3.852 2.318
475 3HZ LYS 63 3HZ LYS 63 9.429 -3.179 1.459
476 H ARG 64 H ARG 64 9.030 4.193 4.186
477 HA ARG 64 HA ARG 64 7.947 3.732 1.682
478 1HB ARG 64 1HB ARG 64 8.503 6.126 1.252
479 2HB ARG 64 2HB ARG 64 7.802 5.916 2.844
480 1HG ARG 64 1HG ARG 64 9.969 6.069 3.924
481 2HG ARG 64 2HG ARG 64 10.818 5.928 2.396
482 1HD ARG 64 1HD ARG 64 9.871 8.117 1.654
483 2HD ARG 64 2HD ARG 64 8.985 8.255 3.160
484 HE ARG 64 HE ARG 64 11.008 8.725 4.314
485 1HH1 ARG 64 2HH1 ARG 64 11.794 7.482 1.130
486 2HH1 ARG 64 1HH1 ARG 64 13.316 8.305 1.034
487 1HH2 ARG 64 1HH2 ARG 64 13.051 9.776 4.225
488 2HH2 ARG 64 2HH2 ARG 64 14.093 9.501 2.870
489 H CYS 65 H CYS 65 9.082 4.461 -0.455
490 HA CYS 65 HA CYS 65 11.387 2.970 -0.885
491 1HB CYS 65 1HB CYS 65 9.568 3.985 -2.508
492 2HB CYS 65 2HB CYS 65 10.714 5.304 -2.631
493 H SER 66 H SER 66 13.613 3.657 -1.156
494 HA SER 66 HA SER 66 14.375 5.396 0.850
495 1HB SER 66 1HB SER 66 16.667 5.046 0.004
496 2HB SER 66 2HB SER 66 15.781 3.534 0.044
497 HG SER 66 HG SER 66 16.949 3.785 -1.956
498 1HN NH2 67 1H SER 66 14.785 5.704 -2.699
499 2HN NH2 67 2H SER 66 14.914 7.431 -2.745
No H/Q in entry = 499
Start of MODEL 11
1 1H LYS 1 1H LYS 1 -11.517 2.077 0.387
2 2H LYS 1 2H LYS 1 -11.657 1.831 2.018
3 3H LYS 1 3H LYS 1 -10.581 2.949 1.439
4 HA LYS 1 HA LYS 1 -9.184 1.319 1.880
5 1HB LYS 1 1HB LYS 1 -9.758 -1.082 1.610
6 2HB LYS 1 2HB LYS 1 -10.782 -0.240 2.755
7 1HG LYS 1 1HG LYS 1 -12.618 -0.124 1.197
8 2HG LYS 1 2HG LYS 1 -11.597 -0.554 -0.161
9 1HD LYS 1 1HD LYS 1 -11.217 -2.821 0.881
10 2HD LYS 1 2HD LYS 1 -12.311 -2.385 2.180
11 1HE LYS 1 1HE LYS 1 -14.186 -2.159 0.621
12 2HE LYS 1 2HE LYS 1 -13.126 -2.342 -0.763
13 1HZ LYS 1 1HZ LYS 1 -13.514 -4.408 1.289
14 2HZ LYS 1 2HZ LYS 1 -14.284 -4.380 -0.151
15 3HZ LYS 1 3HZ LYS 1 -12.663 -4.567 -0.096
16 H GLU 2 H GLU 2 -9.404 3.021 -0.348
17 HA GLU 2 HA GLU 2 -8.392 1.273 -2.428
18 1HB GLU 2 1HB GLU 2 -10.439 3.474 -2.943
19 2HB GLU 2 2HB GLU 2 -9.717 2.432 -4.154
20 1HG GLU 2 1HG GLU 2 -10.732 0.434 -3.049
21 2HG GLU 2 2HG GLU 2 -11.440 1.465 -1.822
22 H GLY 3 H GLY 3 -6.757 2.225 -3.740
23 1HA GLY 3 1HA GLY 3 -6.105 4.941 -3.801
24 2HA GLY 3 2HA GLY 3 -5.237 4.221 -2.460
25 H TYR 4 H TYR 4 -3.405 4.997 -4.029
26 HA TYR 4 HA TYR 4 -2.956 3.367 -6.330
27 1HB TYR 4 1HB TYR 4 -1.170 5.182 -4.589
28 2HB TYR 4 2HB TYR 4 -0.745 4.636 -6.199
29 HD1 TYR 4 HD1 TYR 4 -2.514 5.253 -8.093
30 HD2 TYR 4 HD2 TYR 4 -2.155 7.275 -4.341
31 HE1 TYR 4 HE1 TYR 4 -3.653 7.300 -9.080
32 HE2 TYR 4 HE2 TYR 4 -3.296 9.316 -5.340
33 HH TYR 4 HH TYR 4 -4.226 10.184 -7.079
34 H LEU 5 H LEU 5 -2.388 1.251 -6.216
35 HA LEU 5 HA LEU 5 -1.640 0.001 -3.874
36 1HB LEU 5 1HB LEU 5 -1.428 -1.919 -5.135
37 2HB LEU 5 2HB LEU 5 -2.593 -0.959 -6.024
38 HG LEU 5 HG LEU 5 -1.144 -1.967 -7.610
39 1HD1 LEU 5 1HD1 LEU 5 -1.768 0.340 -8.109
40 2HD1 LEU 5 2HD1 LEU 5 -0.313 0.929 -7.269
41 3HD1 LEU 5 3HD1 LEU 5 -0.152 -0.041 -8.753
42 1HD2 LEU 5 1HD2 LEU 5 0.726 -2.156 -5.730
43 2HD2 LEU 5 2HD2 LEU 5 1.112 -2.236 -7.466
44 3HD2 LEU 5 3HD2 LEU 5 1.356 -0.717 -6.569
45 H VAL 6 H VAL 6 0.486 -1.201 -3.483
46 HA VAL 6 HA VAL 6 2.731 0.509 -4.259
47 HB VAL 6 HB VAL 6 1.849 1.370 -2.161
48 1HG1 VAL 6 1HG1 VAL 6 0.736 -0.644 -1.329
49 2HG1 VAL 6 2HG1 VAL 6 2.313 -1.429 -1.072
50 3HG1 VAL 6 3HG1 VAL 6 1.863 0.000 -0.110
51 1HG2 VAL 6 1HG2 VAL 6 4.339 1.256 -2.650
52 2HG2 VAL 6 2HG2 VAL 6 3.889 1.429 -0.936
53 3HG2 VAL 6 3HG2 VAL 6 4.398 -0.156 -1.566
54 H ASP 7 H ASP 7 4.779 -0.566 -4.248
55 HA ASP 7 HA ASP 7 4.602 -3.416 -4.241
56 1HB ASP 7 1HB ASP 7 7.230 -3.031 -4.495
57 2HB ASP 7 2HB ASP 7 6.145 -2.746 -5.842
58 H LYS 8 H LYS 8 5.026 -4.678 -2.403
59 HA LYS 8 HA LYS 8 5.350 -3.246 0.032
60 1HB LYS 8 1HB LYS 8 4.622 -5.977 -0.827
61 2HB LYS 8 2HB LYS 8 5.459 -5.898 0.710
62 1HG LYS 8 1HG LYS 8 3.826 -4.262 1.572
63 2HG LYS 8 2HG LYS 8 3.039 -4.171 0.008
64 1HD LYS 8 1HD LYS 8 2.397 -6.565 0.160
65 2HD LYS 8 2HD LYS 8 3.248 -6.717 1.684
66 1HE LYS 8 1HE LYS 8 1.727 -5.039 2.723
67 2HE LYS 8 2HE LYS 8 0.895 -4.827 1.195
68 1HZ LYS 8 1HZ LYS 8 1.083 -7.388 2.624
69 2HZ LYS 8 2HZ LYS 8 -0.205 -6.386 2.685
70 3HZ LYS 8 3HZ LYS 8 0.210 -7.095 1.274
71 H ASN 9 H ASN 9 7.533 -4.430 -2.305
72 HA ASN 9 HA ASN 9 9.592 -5.165 -0.525
73 1HB ASN 9 1HB ASN 9 9.250 -4.739 -3.459
74 2HB ASN 9 2HB ASN 9 10.865 -4.384 -2.877
75 1HD2 ASN 9 1HD2 ASN 9 11.575 -7.763 -3.397
76 2HD2 ASN 9 2HD2 ASN 9 11.753 -6.127 -3.941
77 H THR 10 H THR 10 9.450 -2.413 -2.935
78 HA THR 10 HA THR 10 11.424 -1.066 -1.229
79 HB THR 10 HB THR 10 11.737 0.140 -3.588
80 HG1 THR 10 HG1 THR 10 9.904 -0.818 -4.611
81 1HG2 THR 10 1HG2 THR 10 12.425 -2.828 -3.260
82 2HG2 THR 10 2HG2 THR 10 13.208 -1.691 -4.383
83 3HG2 THR 10 3HG2 THR 10 13.409 -1.487 -2.626
84 H GLY 11 H GLY 11 8.142 -0.898 -2.350
85 1HA GLY 11 1HA GLY 11 6.557 0.686 -2.206
86 2HA GLY 11 2HA GLY 11 7.476 1.356 -0.872
87 H CYS 12 H CYS 12 8.447 1.015 -4.346
88 HA CYS 12 HA CYS 12 9.114 3.855 -4.238
89 1HB CYS 12 1HB CYS 12 10.538 1.568 -5.109
90 2HB CYS 12 2HB CYS 12 10.180 2.509 -6.543
91 H LYS 13 H LYS 13 6.681 1.754 -5.247
92 HA LYS 13 HA LYS 13 4.810 2.226 -6.331
93 1HB LYS 13 1HB LYS 13 4.194 4.357 -6.202
94 2HB LYS 13 2HB LYS 13 5.840 4.770 -5.766
95 1HG LYS 13 1HG LYS 13 6.378 4.866 -8.272
96 2HG LYS 13 2HG LYS 13 4.662 4.688 -8.581
97 1HD LYS 13 1HD LYS 13 4.286 6.739 -7.080
98 2HD LYS 13 2HD LYS 13 6.024 6.960 -7.066
99 1HE LYS 13 1HE LYS 13 5.989 7.048 -9.599
100 2HE LYS 13 2HE LYS 13 4.240 6.951 -9.547
101 1HZ LYS 13 1HZ LYS 13 4.233 8.970 -8.234
102 2HZ LYS 13 2HZ LYS 13 5.862 9.064 -8.307
103 3HZ LYS 13 3HZ LYS 13 4.974 9.213 -9.669
104 H TYR 14 H TYR 14 3.938 2.438 -8.609
105 HA TYR 14 HA TYR 14 6.012 1.359 -10.383
106 1HB TYR 14 1HB TYR 14 2.953 1.144 -10.125
107 2HB TYR 14 2HB TYR 14 3.807 0.473 -11.500
108 HD1 TYR 14 HD1 TYR 14 3.281 0.178 -7.850
109 HD2 TYR 14 HD2 TYR 14 5.048 -1.587 -11.323
110 HE1 TYR 14 HE1 TYR 14 3.682 -1.975 -6.560
111 HE2 TYR 14 HE2 TYR 14 5.444 -3.735 -10.021
112 HH TYR 14 HH TYR 14 4.218 -4.099 -6.730
113 H GLU 15 H GLU 15 3.029 3.434 -10.366
114 HA GLU 15 HA GLU 15 2.403 5.078 -11.643
115 1HB GLU 15 1HB GLU 15 5.024 5.643 -11.353
116 2HB GLU 15 2HB GLU 15 5.027 5.365 -13.083
117 1HG GLU 15 1HG GLU 15 3.310 7.072 -13.436
118 2HG GLU 15 2HG GLU 15 3.048 7.239 -11.711
119 H CYS 16 H CYS 16 1.688 5.546 -13.896
120 HA CYS 16 HA CYS 16 2.730 3.701 -15.887
121 1HB CYS 16 1HB CYS 16 0.295 3.577 -16.778
122 2HB CYS 16 2HB CYS 16 0.833 2.485 -15.517
123 H LEU 17 H LEU 17 3.334 4.910 -17.682
124 HA LEU 17 HA LEU 17 2.921 7.747 -17.329
125 1HB LEU 17 1HB LEU 17 4.733 7.976 -18.927
126 2HB LEU 17 2HB LEU 17 5.165 6.927 -17.590
127 HG LEU 17 HG LEU 17 4.114 5.351 -19.776
128 1HD1 LEU 17 1HD1 LEU 17 4.829 7.184 -21.211
129 2HD1 LEU 17 2HD1 LEU 17 6.448 7.155 -20.471
130 3HD1 LEU 17 3HD1 LEU 17 5.881 5.764 -21.427
131 1HD2 LEU 17 1HD2 LEU 17 5.497 4.508 -17.929
132 2HD2 LEU 17 2HD2 LEU 17 6.213 4.150 -19.518
133 3HD2 LEU 17 3HD2 LEU 17 6.871 5.471 -18.524
134 H LYS 18 H LYS 18 0.470 6.966 -17.941
135 HA LYS 18 HA LYS 18 -0.202 7.689 -20.525
136 1HB LYS 18 1HB LYS 18 1.099 5.812 -21.318
137 2HB LYS 18 2HB LYS 18 0.297 4.717 -20.209
138 1HG LYS 18 1HG LYS 18 -0.865 4.351 -22.232
139 2HG LYS 18 2HG LYS 18 -1.921 5.456 -21.375
140 1HD LYS 18 1HD LYS 18 -0.886 7.383 -22.618
141 2HD LYS 18 2HD LYS 18 0.127 6.256 -23.497
142 1HE LYS 18 1HE LYS 18 -1.939 5.118 -24.381
143 2HE LYS 18 2HE LYS 18 -2.929 6.293 -23.539
144 1HZ LYS 18 1HZ LYS 18 -1.861 8.023 -24.823
145 2HZ LYS 18 2HZ LYS 18 -0.943 6.926 -25.611
146 3HZ LYS 18 3HZ LYS 18 -2.564 6.928 -25.811
147 H LEU 19 H LEU 19 -1.797 8.710 -19.168
148 HA LEU 19 HA LEU 19 -3.157 7.116 -17.237
149 1HB LEU 19 1HB LEU 19 -3.969 9.080 -16.422
150 2HB LEU 19 2HB LEU 19 -2.480 9.612 -17.178
151 HG LEU 19 HG LEU 19 -4.284 9.927 -19.229
152 1HD1 LEU 19 1HD1 LEU 19 -6.169 9.366 -17.760
153 2HD1 LEU 19 2HD1 LEU 19 -5.716 10.701 -16.672
154 3HD1 LEU 19 3HD1 LEU 19 -6.250 11.049 -18.334
155 1HD2 LEU 19 1HD2 LEU 19 -2.541 11.504 -18.562
156 2HD2 LEU 19 2HD2 LEU 19 -4.108 12.323 -18.768
157 3HD2 LEU 19 3HD2 LEU 19 -3.495 11.970 -17.133
158 H GLY 20 H GLY 20 -5.514 6.788 -17.150
159 1HA GLY 20 1HA GLY 20 -7.555 6.434 -18.209
160 2HA GLY 20 2HA GLY 20 -6.818 6.727 -19.771
161 H ASP 21 H ASP 21 -4.603 5.026 -19.819
162 HA ASP 21 HA ASP 21 -6.018 2.818 -20.724
163 1HB ASP 21 1HB ASP 21 -3.029 3.255 -20.272
164 2HB ASP 21 2HB ASP 21 -3.679 1.864 -21.116
165 H ASN 22 H ASN 22 -7.035 1.563 -19.085
166 HA ASN 22 HA ASN 22 -5.530 1.063 -16.684
167 1HB ASN 22 1HB ASN 22 -7.705 0.062 -15.880
168 2HB ASN 22 2HB ASN 22 -7.891 1.714 -16.431
169 1HD2 ASN 22 1HD2 ASN 22 -10.346 -0.964 -17.858
170 2HD2 ASN 22 2HD2 ASN 22 -9.575 -0.867 -16.309
171 H ASP 23 H ASP 23 -4.206 -0.240 -18.666
172 HA ASP 23 HA ASP 23 -5.266 -2.945 -18.677
173 1HB ASP 23 1HB ASP 23 -4.684 -2.013 -20.887
174 2HB ASP 23 2HB ASP 23 -3.076 -1.601 -20.325
175 H TYR 24 H TYR 24 -2.083 -1.158 -18.492
176 HA TYR 24 HA TYR 24 -0.734 -3.373 -17.352
177 1HB TYR 24 1HB TYR 24 -0.143 -0.347 -17.400
178 2HB TYR 24 2HB TYR 24 1.060 -1.594 -17.147
179 HD1 TYR 24 HD1 TYR 24 1.093 -3.452 -19.120
180 HD2 TYR 24 HD2 TYR 24 -0.281 0.580 -19.519
181 HE1 TYR 24 HE1 TYR 24 1.508 -3.551 -21.627
182 HE2 TYR 24 HE2 TYR 24 0.138 0.466 -22.025
183 HH TYR 24 HH TYR 24 1.314 -2.533 -23.522
184 H CYS 25 H CYS 25 -2.489 -0.553 -16.058
185 HA CYS 25 HA CYS 25 -1.382 -0.741 -13.467
186 1HB CYS 25 1HB CYS 25 -3.783 0.643 -14.636
187 2HB CYS 25 2HB CYS 25 -3.516 0.616 -12.904
188 H LEU 26 H LEU 26 -4.164 -2.173 -15.229
189 HA LEU 26 HA LEU 26 -5.271 -3.542 -13.047
190 1HB LEU 26 1HB LEU 26 -5.786 -3.243 -15.749
191 2HB LEU 26 2HB LEU 26 -5.365 -4.938 -15.609
192 HG LEU 26 HG LEU 26 -7.494 -3.556 -13.953
193 1HD1 LEU 26 1HD1 LEU 26 -7.781 -5.304 -16.412
194 2HD1 LEU 26 2HD1 LEU 26 -9.116 -4.753 -15.371
195 3HD1 LEU 26 3HD1 LEU 26 -8.153 -3.567 -16.286
196 1HD2 LEU 26 1HD2 LEU 26 -6.738 -6.477 -14.228
197 2HD2 LEU 26 2HD2 LEU 26 -6.577 -5.452 -12.781
198 3HD2 LEU 26 3HD2 LEU 26 -8.192 -5.871 -13.399
199 H ARG 27 H ARG 27 -2.701 -4.433 -15.441
200 HA ARG 27 HA ARG 27 -2.402 -7.007 -14.620
201 1HB ARG 27 1HB ARG 27 -0.481 -4.987 -15.835
202 2HB ARG 27 2HB ARG 27 0.078 -6.602 -15.452
203 1HG ARG 27 1HG ARG 27 -1.704 -7.584 -16.879
204 2HG ARG 27 2HG ARG 27 -2.334 -5.986 -17.222
205 1HD ARG 27 1HD ARG 27 0.311 -5.645 -17.931
206 2HD ARG 27 2HD ARG 27 0.092 -7.341 -18.315
207 HE ARG 27 HE ARG 27 -1.255 -5.056 -19.615
208 1HH1 ARG 27 2HH1 ARG 27 -1.552 -8.490 -18.972
209 2HH1 ARG 27 1HH1 ARG 27 -2.168 -8.871 -20.546
210 1HH2 ARG 27 1HH2 ARG 27 -2.083 -5.545 -21.704
211 2HH2 ARG 27 2HH2 ARG 27 -2.541 -7.171 -22.084
212 H GLU 28 H GLU 28 -0.740 -4.005 -13.450
213 HA GLU 28 HA GLU 28 0.993 -5.231 -11.711
214 1HB GLU 28 1HB GLU 28 -0.155 -2.507 -12.067
215 2HB GLU 28 2HB GLU 28 0.449 -2.839 -10.457
216 1HG GLU 28 1HG GLU 28 2.297 -1.935 -11.728
217 2HG GLU 28 2HG GLU 28 2.624 -3.641 -11.498
218 H CYS 29 H CYS 29 -2.331 -3.898 -11.100
219 HA CYS 29 HA CYS 29 -2.454 -4.463 -8.421
220 1HB CYS 29 1HB CYS 29 -4.118 -3.313 -10.177
221 2HB CYS 29 2HB CYS 29 -4.915 -4.868 -10.045
222 H LYS 30 H LYS 30 -2.862 -6.556 -11.311
223 HA LYS 30 HA LYS 30 -4.283 -8.553 -9.831
224 1HB LYS 30 1HB LYS 30 -4.045 -7.789 -12.523
225 2HB LYS 30 2HB LYS 30 -3.325 -9.383 -12.445
226 1HG LYS 30 1HG LYS 30 -6.006 -8.784 -11.133
227 2HG LYS 30 2HG LYS 30 -5.894 -9.242 -12.821
228 1HD LYS 30 1HD LYS 30 -4.903 -11.387 -12.273
229 2HD LYS 30 2HD LYS 30 -4.634 -10.915 -10.607
230 1HE LYS 30 1HE LYS 30 -7.200 -10.646 -10.408
231 2HE LYS 30 2HE LYS 30 -7.314 -11.438 -11.967
232 1HZ LYS 30 1HZ LYS 30 -5.990 -13.262 -10.967
233 2HZ LYS 30 2HZ LYS 30 -6.161 -12.547 -9.508
234 3HZ LYS 30 3HZ LYS 30 -7.478 -13.077 -10.317
235 H GLN 31 H GLN 31 -0.933 -7.832 -10.686
236 HA GLN 31 HA GLN 31 -0.233 -10.329 -9.355
237 1HB GLN 31 1HB GLN 31 1.508 -8.485 -11.052
238 2HB GLN 31 2HB GLN 31 2.057 -9.964 -10.288
239 1HG GLN 31 1HG GLN 31 0.768 -11.345 -11.713
240 2HG GLN 31 2HG GLN 31 -0.361 -10.065 -12.106
241 1HE2 GLN 31 1HE2 GLN 31 1.695 -8.457 -14.538
242 2HE2 GLN 31 2HE2 GLN 31 0.508 -8.190 -13.304
243 H GLN 32 H GLN 32 -1.281 -8.289 -7.638
244 HA GLN 32 HA GLN 32 0.604 -9.307 -5.911
245 1HB GLN 32 1HB GLN 32 1.314 -7.125 -4.783
246 2HB GLN 32 2HB GLN 32 2.068 -7.463 -6.328
247 1HG GLN 32 1HG GLN 32 -0.139 -6.083 -7.185
248 2HG GLN 32 2HG GLN 32 0.076 -5.347 -5.610
249 1HE2 GLN 32 1HE2 GLN 32 2.644 -4.653 -8.721
250 2HE2 GLN 32 2HE2 GLN 32 1.386 -5.842 -8.780
251 H TYR 33 H TYR 33 -2.117 -7.023 -6.529
252 HA TYR 33 HA TYR 33 -3.413 -8.421 -4.294
253 1HB TYR 33 1HB TYR 33 -4.074 -6.024 -6.109
254 2HB TYR 33 2HB TYR 33 -5.262 -6.700 -5.011
255 HD1 TYR 33 HD1 TYR 33 -2.118 -4.795 -5.249
256 HD2 TYR 33 HD2 TYR 33 -5.105 -6.343 -2.607
257 HE1 TYR 33 HE1 TYR 33 -1.239 -3.315 -3.377
258 HE2 TYR 33 HE2 TYR 33 -4.217 -4.859 -0.744
259 HH TYR 33 HH TYR 33 -1.847 -2.398 -1.376
260 H GLY 34 H GLY 34 -2.687 -10.085 -6.395
261 1HA GLY 34 1HA GLY 34 -4.535 -10.219 -8.514
262 2HA GLY 34 2HA GLY 34 -3.490 -11.505 -7.942
263 H LYS 35 H LYS 35 -4.961 -10.773 -5.134
264 HA LYS 35 HA LYS 35 -7.007 -12.739 -5.378
265 1HB LYS 35 1HB LYS 35 -6.228 -10.823 -3.165
266 2HB LYS 35 2HB LYS 35 -7.523 -11.994 -3.018
267 1HG LYS 35 1HG LYS 35 -5.926 -13.844 -3.509
268 2HG LYS 35 2HG LYS 35 -4.627 -12.685 -3.706
269 1HD LYS 35 1HD LYS 35 -4.927 -11.943 -1.335
270 2HD LYS 35 2HD LYS 35 -6.230 -13.098 -1.138
271 1HE LYS 35 1HE LYS 35 -4.650 -14.972 -1.645
272 2HE LYS 35 2HE LYS 35 -3.345 -13.819 -1.850
273 1HZ LYS 35 1HZ LYS 35 -4.886 -14.206 0.624
274 2HZ LYS 35 2HZ LYS 35 -3.367 -14.744 0.353
275 3HZ LYS 35 3HZ LYS 35 -3.663 -13.140 0.431
276 H GLY 36 H GLY 36 -7.774 -11.308 -7.431
277 1HA GLY 36 1HA GLY 36 -9.803 -10.727 -8.204
278 2HA GLY 36 2HA GLY 36 -10.441 -10.995 -6.594
279 H ALA 37 H ALA 37 -7.879 -8.647 -7.594
280 HA ALA 37 HA ALA 37 -9.677 -6.502 -6.712
281 1HB ALA 37 1HB ALA 37 -7.482 -6.829 -5.518
282 2HB ALA 37 2HB ALA 37 -6.653 -6.463 -7.051
283 3HB ALA 37 3HB ALA 37 -7.668 -5.226 -6.271
284 H GLY 38 H GLY 38 -9.361 -4.377 -7.985
285 1HA GLY 38 1HA GLY 38 -8.184 -4.768 -10.642
286 2HA GLY 38 2HA GLY 38 -9.842 -4.208 -10.547
287 H GLY 39 H GLY 39 -8.670 -2.321 -11.754
288 1HA GLY 39 1HA GLY 39 -8.178 -0.107 -10.118
289 2HA GLY 39 2HA GLY 39 -6.636 -0.867 -10.459
290 H TYR 40 H TYR 40 -6.754 1.590 -11.461
291 HA TYR 40 HA TYR 40 -6.581 1.024 -14.268
292 1HB TYR 40 1HB TYR 40 -8.045 3.232 -14.590
293 2HB TYR 40 2HB TYR 40 -8.883 1.717 -14.316
294 HD1 TYR 40 HD1 TYR 40 -7.465 4.612 -12.395
295 HD2 TYR 40 HD2 TYR 40 -10.503 1.610 -12.646
296 HE1 TYR 40 HE1 TYR 40 -8.632 5.615 -10.373
297 HE2 TYR 40 HE2 TYR 40 -11.660 2.623 -10.622
298 HH TYR 40 HH TYR 40 -11.489 4.054 -8.982
299 H CYS 41 H CYS 41 -5.957 3.276 -15.425
300 HA CYS 41 HA CYS 41 -3.727 4.169 -13.790
301 1HB CYS 41 1HB CYS 41 -3.390 3.167 -16.076
302 2HB CYS 41 2HB CYS 41 -4.167 4.586 -16.750
303 H TYR 42 H TYR 42 -4.301 5.959 -12.558
304 HA TYR 42 HA TYR 42 -5.980 8.013 -13.680
305 1HB TYR 42 1HB TYR 42 -4.942 7.069 -11.142
306 2HB TYR 42 2HB TYR 42 -4.342 8.705 -11.335
307 HD1 TYR 42 HD1 TYR 42 -7.618 7.061 -12.174
308 HD2 TYR 42 HD2 TYR 42 -5.592 10.183 -10.064
309 HE1 TYR 42 HE1 TYR 42 -9.851 7.980 -11.378
310 HE2 TYR 42 HE2 TYR 42 -7.831 11.092 -9.275
311 HH TYR 42 HH TYR 42 -10.859 9.466 -10.186
312 H ALA 43 H ALA 43 -4.644 10.363 -12.710
313 HA ALA 43 HA ALA 43 -3.916 10.992 -15.268
314 1HB ALA 43 1HB ALA 43 -3.239 12.398 -12.652
315 2HB ALA 43 2HB ALA 43 -3.142 13.141 -14.266
316 3HB ALA 43 3HB ALA 43 -4.715 12.614 -13.622
317 H PHE 44 H PHE 44 -1.711 10.369 -12.417
318 HA PHE 44 HA PHE 44 -0.327 8.669 -14.245
319 1HB PHE 44 1HB PHE 44 0.893 11.168 -12.961
320 2HB PHE 44 2HB PHE 44 1.918 9.802 -13.355
321 HD1 PHE 44 HD1 PHE 44 1.391 8.887 -15.886
322 HD2 PHE 44 HD2 PHE 44 0.899 12.868 -14.502
323 HE1 PHE 44 HE1 PHE 44 1.613 9.733 -18.239
324 HE2 PHE 44 HE2 PHE 44 1.120 13.715 -16.855
325 HZ PHE 44 HZ PHE 44 1.475 12.136 -18.695
326 H ALA 45 H ALA 45 -1.732 7.545 -12.336
327 HA ALA 45 HA ALA 45 0.435 6.037 -11.423
328 1HB ALA 45 1HB ALA 45 -0.959 7.789 -9.401
329 2HB ALA 45 2HB ALA 45 -0.357 6.185 -8.919
330 3HB ALA 45 3HB ALA 45 0.771 7.403 -9.559
331 H CYS 46 H CYS 46 -0.437 4.061 -10.115
332 HA CYS 46 HA CYS 46 -2.778 3.307 -11.650
333 1HB CYS 46 1HB CYS 46 -0.699 1.672 -10.187
334 2HB CYS 46 2HB CYS 46 -2.103 0.983 -10.979
335 H TRP 47 H TRP 47 -4.678 3.760 -10.554
336 HA TRP 47 HA TRP 47 -4.666 3.554 -7.652
337 1HB TRP 47 1HB TRP 47 -5.550 5.588 -8.537
338 2HB TRP 47 2HB TRP 47 -6.610 4.730 -9.637
339 HD1 TRP 47 HD1 TRP 47 -8.588 3.141 -8.242
340 HE1 TRP 47 HE1 TRP 47 -10.059 3.747 -6.137
341 HE3 TRP 47 HE3 TRP 47 -5.574 6.873 -6.557
342 HZ2 TRP 47 HZ2 TRP 47 -9.803 5.677 -4.050
343 HZ3 TRP 47 HZ3 TRP 47 -6.257 8.068 -4.479
344 HH2 TRP 47 HH2 TRP 47 -8.290 7.523 -3.236
345 H CYS 48 H CYS 48 -5.347 1.692 -6.683
346 HA CYS 48 HA CYS 48 -6.842 -0.177 -8.349
347 1HB CYS 48 1HB CYS 48 -5.083 -0.502 -5.933
348 2HB CYS 48 2HB CYS 48 -6.250 -1.738 -6.355
349 H THR 49 H THR 49 -8.800 -1.242 -7.352
350 HA THR 49 HA THR 49 -10.172 0.450 -5.457
351 HB THR 49 HB THR 49 -10.103 1.944 -7.409
352 HG1 THR 49 HG1 THR 49 -12.158 1.886 -6.388
353 1HG2 THR 49 1HG2 THR 49 -10.510 -0.582 -8.875
354 2HG2 THR 49 2HG2 THR 49 -11.725 0.641 -9.316
355 3HG2 THR 49 3HG2 THR 49 -9.992 1.004 -9.497
356 H HIS 50 H HIS 50 -9.596 -2.363 -5.543
357 HA HIS 50 HA HIS 50 -12.256 -2.986 -4.812
358 1HB HIS 50 1HB HIS 50 -12.047 -3.507 -7.361
359 2HB HIS 50 2HB HIS 50 -11.117 -4.898 -6.839
360 HD1 HIS 50 HD1 HIS 50 -14.415 -3.386 -5.554
361 HD2 HIS 50 HD2 HIS 50 -12.793 -7.039 -6.829
362 HE1 HIS 50 HE1 HIS 50 -16.275 -5.115 -5.314
363 H LEU 51 H LEU 51 -10.443 -2.707 -2.999
364 HA LEU 51 HA LEU 51 -8.764 -5.105 -2.895
365 1HB LEU 51 1HB LEU 51 -8.380 -2.461 -1.490
366 2HB LEU 51 2HB LEU 51 -7.257 -3.806 -1.535
367 HG LEU 51 HG LEU 51 -8.121 -2.432 -4.075
368 1HD1 LEU 51 1HD1 LEU 51 -7.325 -0.679 -2.543
369 2HD1 LEU 51 2HD1 LEU 51 -5.809 -1.582 -2.311
370 3HD1 LEU 51 3HD1 LEU 51 -6.219 -0.930 -3.915
371 1HD2 LEU 51 1HD2 LEU 51 -6.748 -4.701 -3.783
372 2HD2 LEU 51 2HD2 LEU 51 -6.424 -3.543 -5.095
373 3HD2 LEU 51 3HD2 LEU 51 -5.397 -3.550 -3.641
374 H TYR 52 H TYR 52 -8.128 -5.528 -0.387
375 HA TYR 52 HA TYR 52 -10.678 -5.607 1.069
376 1HB TYR 52 1HB TYR 52 -8.757 -7.232 2.340
377 2HB TYR 52 2HB TYR 52 -9.948 -7.819 1.196
378 HD1 TYR 52 HD1 TYR 52 -9.325 -8.095 -1.221
379 HD2 TYR 52 HD2 TYR 52 -6.428 -7.128 1.774
380 HE1 TYR 52 HE1 TYR 52 -7.455 -8.814 -2.787
381 HE2 TYR 52 HE2 TYR 52 -4.568 -7.849 0.199
382 HH TYR 52 HH TYR 52 -4.057 -8.550 -1.777
383 H GLU 53 H GLU 53 -9.810 -6.017 3.647
384 HA GLU 53 HA GLU 53 -9.383 -3.450 4.475
385 1HB GLU 53 1HB GLU 53 -10.316 -5.345 5.844
386 2HB GLU 53 2HB GLU 53 -8.701 -6.005 5.997
387 1HG GLU 53 1HG GLU 53 -7.923 -4.007 7.186
388 2HG GLU 53 2HG GLU 53 -9.434 -3.175 6.876
389 H GLN 54 H GLN 54 -7.086 -5.905 3.417
390 HA GLN 54 HA GLN 54 -4.883 -4.427 4.545
391 1HB GLN 54 1HB GLN 54 -5.340 -7.146 3.885
392 2HB GLN 54 2HB GLN 54 -4.123 -6.600 2.748
393 1HG GLN 54 1HG GLN 54 -3.040 -5.496 4.939
394 2HG GLN 54 2HG GLN 54 -3.985 -6.722 5.763
395 1HE2 GLN 54 1HE2 GLN 54 -2.102 -9.492 4.742
396 2HE2 GLN 54 2HE2 GLN 54 -3.602 -8.911 5.383
397 H ALA 55 H ALA 55 -6.682 -3.265 2.389
398 HA ALA 55 HA ALA 55 -5.026 -2.818 0.166
399 1HB ALA 55 1HB ALA 55 -7.434 -2.183 0.375
400 2HB ALA 55 2HB ALA 55 -6.972 -0.928 1.549
401 3HB ALA 55 3HB ALA 55 -6.401 -0.825 -0.134
402 H ILE 56 H ILE 56 -2.830 -2.557 0.695
403 HA ILE 56 HA ILE 56 -2.249 -0.134 2.229
404 HB ILE 56 HB ILE 56 -0.269 -2.103 1.102
405 1HG1 ILE 56 1HG1 ILE 56 -1.855 -3.360 2.477
406 2HG1 ILE 56 2HG1 ILE 56 -0.280 -3.265 3.238
407 1HG2 ILE 56 1HG2 ILE 56 -0.153 -0.003 3.279
408 2HG2 ILE 56 2HG2 ILE 56 1.109 -1.227 3.004
409 3HG2 ILE 56 3HG2 ILE 56 0.736 -0.034 1.737
410 1HD1 ILE 56 1HD1 ILE 56 -2.658 -1.465 3.900
411 2HD1 ILE 56 2HD1 ILE 56 -2.098 -2.845 4.875
412 3HD1 ILE 56 3HD1 ILE 56 -1.063 -1.409 4.689
413 H VAL 57 H VAL 57 -1.238 1.672 1.272
414 HA VAL 57 HA VAL 57 -1.161 1.626 -1.646
415 HB VAL 57 HB VAL 57 -3.237 2.432 -1.690
416 1HG1 VAL 57 1HG1 VAL 57 -2.914 3.203 1.227
417 2HG1 VAL 57 2HG1 VAL 57 -4.405 3.444 0.286
418 3HG1 VAL 57 3HG1 VAL 57 -3.785 1.799 0.567
419 1HG2 VAL 57 1HG2 VAL 57 -1.900 4.422 -2.239
420 2HG2 VAL 57 2HG2 VAL 57 -3.438 4.864 -1.461
421 3HG2 VAL 57 3HG2 VAL 57 -1.921 4.912 -0.528
422 H TRP 58 H TRP 58 0.089 3.446 -2.548
423 HA TRP 58 HA TRP 58 2.463 3.290 -1.107
424 1HB TRP 58 1HB TRP 58 2.435 3.336 -3.506
425 2HB TRP 58 2HB TRP 58 1.686 4.920 -3.527
426 HD1 TRP 58 HD1 TRP 58 5.103 3.261 -3.142
427 HE1 TRP 58 HE1 TRP 58 7.056 5.034 -3.123
428 HE3 TRP 58 HE3 TRP 58 2.096 7.348 -2.797
429 HZ2 TRP 58 HZ2 TRP 58 7.124 7.884 -2.969
430 HZ3 TRP 58 HZ3 TRP 58 3.186 9.588 -2.718
431 HH2 TRP 58 HH2 TRP 58 5.610 9.893 -2.798
432 HA PRO 59 HA PRO 59 4.117 4.080 -0.796
433 1HB PRO 59 1HB PRO 59 5.875 4.890 1.134
434 2HB PRO 59 2HB PRO 59 5.916 5.489 -0.514
435 1HG PRO 59 1HG PRO 59 4.952 6.847 1.929
436 2HG PRO 59 2HG PRO 59 5.395 7.548 0.385
437 1HD PRO 59 1HD PRO 59 2.737 7.114 1.372
438 2HD PRO 59 2HD PRO 59 3.181 7.707 -0.216
439 H LEU 60 H LEU 60 5.531 2.720 1.111
440 HA LEU 60 HA LEU 60 3.666 1.900 3.103
441 1HB LEU 60 1HB LEU 60 6.661 1.619 2.849
442 2HB LEU 60 2HB LEU 60 5.720 0.926 4.154
443 HG LEU 60 HG LEU 60 5.796 -0.894 2.815
444 1HD1 LEU 60 1HD1 LEU 60 3.412 -0.242 2.984
445 2HD1 LEU 60 2HD1 LEU 60 3.545 0.561 1.402
446 3HD1 LEU 60 3HD1 LEU 60 3.776 -1.200 1.529
447 1HD2 LEU 60 1HD2 LEU 60 7.248 0.300 1.154
448 2HD2 LEU 60 2HD2 LEU 60 6.182 -0.945 0.462
449 3HD2 LEU 60 3HD2 LEU 60 5.765 0.777 0.292
450 HA PRO 61 HA PRO 61 4.430 5.087 6.006
451 1HB PRO 61 1HB PRO 61 3.863 3.803 8.350
452 2HB PRO 61 2HB PRO 61 2.631 4.493 7.313
453 1HG PRO 61 1HG PRO 61 3.360 1.653 7.689
454 2HG PRO 61 2HG PRO 61 1.893 2.328 7.010
455 1HD PRO 61 1HD PRO 61 4.071 1.152 5.562
456 2HD PRO 61 2HD PRO 61 2.658 1.931 4.879
457 H ASN 62 H ASN 62 5.877 1.954 6.808
458 HA ASN 62 HA ASN 62 7.597 3.494 8.575
459 1HB ASN 62 1HB ASN 62 7.876 1.312 9.807
460 2HB ASN 62 2HB ASN 62 6.201 1.818 9.726
461 1HD2 ASN 62 1HD2 ASN 62 6.923 -1.841 8.721
462 2HD2 ASN 62 2HD2 ASN 62 7.604 -0.831 9.953
463 H LYS 63 H LYS 63 7.653 2.334 5.517
464 HA LYS 63 HA LYS 63 10.483 2.180 5.475
465 1HB LYS 63 1HB LYS 63 10.606 -0.124 4.490
466 2HB LYS 63 2HB LYS 63 10.250 -0.069 6.205
467 1HG LYS 63 1HG LYS 63 7.980 -0.669 5.896
468 2HG LYS 63 2HG LYS 63 7.956 -0.127 4.229
469 1HD LYS 63 1HD LYS 63 9.714 -2.453 5.094
470 2HD LYS 63 2HD LYS 63 8.027 -2.699 4.691
471 1HE LYS 63 1HE LYS 63 8.447 -1.607 2.445
472 2HE LYS 63 2HE LYS 63 10.147 -1.488 2.853
473 1HZ LYS 63 1HZ LYS 63 9.968 -3.971 3.250
474 2HZ LYS 63 2HZ LYS 63 8.566 -3.903 2.416
475 3HZ LYS 63 3HZ LYS 63 9.964 -3.455 1.701
476 H ARG 64 H ARG 64 8.973 4.076 4.347
477 HA ARG 64 HA ARG 64 8.230 3.520 1.735
478 1HB ARG 64 1HB ARG 64 8.413 5.960 1.390
479 2HB ARG 64 2HB ARG 64 7.683 5.639 2.950
480 1HG ARG 64 1HG ARG 64 10.005 5.874 3.993
481 2HG ARG 64 2HG ARG 64 10.594 6.392 2.426
482 1HD ARG 64 1HD ARG 64 9.646 8.475 2.616
483 2HD ARG 64 2HD ARG 64 8.155 7.844 3.285
484 HE ARG 64 HE ARG 64 10.415 8.866 4.786
485 1HH1 ARG 64 2HH1 ARG 64 7.680 6.659 4.921
486 2HH1 ARG 64 1HH1 ARG 64 7.755 6.467 6.641
487 1HH2 ARG 64 1HH2 ARG 64 10.433 8.715 7.068
488 2HH2 ARG 64 2HH2 ARG 64 9.253 7.741 7.879
489 H CYS 65 H CYS 65 9.491 4.549 -0.240
490 HA CYS 65 HA CYS 65 11.852 3.047 -0.411
491 1HB CYS 65 1HB CYS 65 10.127 3.790 -2.231
492 2HB CYS 65 2HB CYS 65 11.148 5.208 -2.372
493 H SER 66 H SER 66 14.026 3.691 -0.247
494 HA SER 66 HA SER 66 14.500 6.113 1.115
495 1HB SER 66 1HB SER 66 16.870 5.416 1.045
496 2HB SER 66 2HB SER 66 15.840 4.087 1.538
497 HG SER 66 HG SER 66 17.402 3.407 -0.048
498 1HN NH2 67 1H SER 66 15.644 4.812 -2.023
499 2HN NH2 67 2H SER 66 15.795 6.333 -2.838
No H/Q in entry = 499
Start of MODEL 12
1 1H LYS 1 1H LYS 1 -11.944 -1.183 -0.411
2 2H LYS 1 2H LYS 1 -10.808 -2.379 -0.262
3 3H LYS 1 3H LYS 1 -11.559 -1.778 1.086
4 HA LYS 1 HA LYS 1 -10.586 0.310 0.826
5 1HB LYS 1 1HB LYS 1 -9.398 -1.444 2.108
6 2HB LYS 1 2HB LYS 1 -8.527 -1.910 0.662
7 1HG LYS 1 1HG LYS 1 -7.408 0.230 0.522
8 2HG LYS 1 2HG LYS 1 -8.482 0.952 1.704
9 1HD LYS 1 1HD LYS 1 -7.545 -0.382 3.505
10 2HD LYS 1 2HD LYS 1 -6.667 -1.402 2.382
11 1HE LYS 1 1HE LYS 1 -5.164 0.272 3.447
12 2HE LYS 1 2HE LYS 1 -5.234 0.495 1.710
13 1HZ LYS 1 1HZ LYS 1 -6.973 1.984 3.540
14 2HZ LYS 1 2HZ LYS 1 -5.499 2.529 3.097
15 3HZ LYS 1 3HZ LYS 1 -6.660 2.310 1.970
16 H GLU 2 H GLU 2 -9.433 1.844 -0.417
17 HA GLU 2 HA GLU 2 -8.546 0.901 -3.013
18 1HB GLU 2 1HB GLU 2 -10.092 3.500 -2.786
19 2HB GLU 2 2HB GLU 2 -9.714 2.582 -4.229
20 1HG GLU 2 1HG GLU 2 -11.206 0.727 -3.427
21 2HG GLU 2 2HG GLU 2 -11.599 1.670 -2.003
22 H GLY 3 H GLY 3 -6.769 2.217 -3.928
23 1HA GLY 3 1HA GLY 3 -6.669 4.913 -3.548
24 2HA GLY 3 2HA GLY 3 -5.609 4.283 -2.303
25 H TYR 4 H TYR 4 -4.033 5.628 -3.730
26 HA TYR 4 HA TYR 4 -3.106 4.352 -6.103
27 1HB TYR 4 1HB TYR 4 -2.003 6.356 -4.043
28 2HB TYR 4 2HB TYR 4 -1.112 5.941 -5.493
29 HD1 TYR 4 HD1 TYR 4 -2.452 6.254 -7.767
30 HD2 TYR 4 HD2 TYR 4 -3.425 8.201 -4.083
31 HE1 TYR 4 HE1 TYR 4 -3.704 8.062 -9.044
32 HE2 TYR 4 HE2 TYR 4 -4.671 10.002 -5.372
33 HH TYR 4 HH TYR 4 -4.699 9.990 -8.917
34 H LEU 5 H LEU 5 -2.490 2.190 -5.849
35 HA LEU 5 HA LEU 5 -1.900 1.140 -3.385
36 1HB LEU 5 1HB LEU 5 -1.664 -0.864 -4.456
37 2HB LEU 5 2HB LEU 5 -2.635 0.045 -5.596
38 HG LEU 5 HG LEU 5 -0.034 0.567 -6.427
39 1HD1 LEU 5 1HD1 LEU 5 0.822 -1.152 -4.893
40 2HD1 LEU 5 2HD1 LEU 5 -0.227 -2.362 -5.670
41 3HD1 LEU 5 3HD1 LEU 5 1.079 -1.589 -6.600
42 1HD2 LEU 5 1HD2 LEU 5 -2.047 0.134 -7.811
43 2HD2 LEU 5 2HD2 LEU 5 -0.603 -0.749 -8.366
44 3HD2 LEU 5 3HD2 LEU 5 -1.877 -1.604 -7.462
45 H VAL 6 H VAL 6 0.031 0.483 -2.309
46 HA VAL 6 HA VAL 6 2.502 1.448 -3.579
47 HB VAL 6 HB VAL 6 1.679 2.449 -1.347
48 1HG1 VAL 6 1HG1 VAL 6 1.126 0.231 -0.327
49 2HG1 VAL 6 2HG1 VAL 6 2.869 -0.130 -0.274
50 3HG1 VAL 6 3HG1 VAL 6 2.213 1.232 0.666
51 1HG2 VAL 6 1HG2 VAL 6 3.969 2.666 -2.397
52 2HG2 VAL 6 2HG2 VAL 6 3.926 2.814 -0.623
53 3HG2 VAL 6 3HG2 VAL 6 4.485 1.301 -1.377
54 H ASP 7 H ASP 7 4.403 0.034 -3.330
55 HA ASP 7 HA ASP 7 3.480 -2.629 -3.824
56 1HB ASP 7 1HB ASP 7 5.153 -1.443 -5.293
57 2HB ASP 7 2HB ASP 7 6.289 -1.432 -3.958
58 H LYS 8 H LYS 8 4.673 -4.543 -2.799
59 HA LYS 8 HA LYS 8 4.917 -3.887 0.038
60 1HB LYS 8 1HB LYS 8 3.645 -6.028 -1.511
61 2HB LYS 8 2HB LYS 8 4.610 -6.633 -0.179
62 1HG LYS 8 1HG LYS 8 3.406 -5.257 1.431
63 2HG LYS 8 2HG LYS 8 2.596 -4.368 0.156
64 1HD LYS 8 1HD LYS 8 1.305 -6.320 -0.508
65 2HD LYS 8 2HD LYS 8 2.268 -7.380 0.503
66 1HE LYS 8 1HE LYS 8 0.120 -6.894 1.610
67 2HE LYS 8 2HE LYS 8 1.438 -6.213 2.545
68 1HZ LYS 8 1HZ LYS 8 0.053 -4.601 0.539
69 2HZ LYS 8 2HZ LYS 8 -0.553 -4.759 2.047
70 3HZ LYS 8 3HZ LYS 8 0.923 -4.098 1.826
71 H ASN 9 H ASN 9 6.880 -4.366 -2.616
72 HA ASN 9 HA ASN 9 8.793 -5.919 -1.063
73 1HB ASN 9 1HB ASN 9 7.985 -5.914 -3.904
74 2HB ASN 9 2HB ASN 9 9.722 -5.748 -3.735
75 1HD2 ASN 9 1HD2 ASN 9 10.300 -8.919 -2.248
76 2HD2 ASN 9 2HD2 ASN 9 10.840 -7.275 -2.324
77 H THR 10 H THR 10 8.831 -3.539 -3.836
78 HA THR 10 HA THR 10 11.260 -2.377 -2.699
79 HB THR 10 HB THR 10 11.106 -1.250 -5.109
80 HG1 THR 10 HG1 THR 10 8.924 -1.978 -5.507
81 1HG2 THR 10 1HG2 THR 10 11.460 -4.282 -4.844
82 2HG2 THR 10 2HG2 THR 10 12.067 -3.271 -6.176
83 3HG2 THR 10 3HG2 THR 10 12.741 -3.085 -4.539
84 H GLY 11 H GLY 11 7.939 -1.910 -2.491
85 1HA GLY 11 1HA GLY 11 6.665 -0.186 -1.822
86 2HA GLY 11 2HA GLY 11 8.127 0.550 -1.196
87 H CYS 12 H CYS 12 7.825 -0.287 -4.648
88 HA CYS 12 HA CYS 12 7.821 2.596 -5.182
89 1HB CYS 12 1HB CYS 12 9.861 0.726 -5.697
90 2HB CYS 12 2HB CYS 12 9.121 1.054 -7.251
91 H LYS 13 H LYS 13 7.772 2.160 -8.092
92 HA LYS 13 HA LYS 13 6.416 1.584 -9.769
93 1HB LYS 13 1HB LYS 13 4.711 0.008 -7.823
94 2HB LYS 13 2HB LYS 13 4.704 -0.101 -9.572
95 1HG LYS 13 1HG LYS 13 7.099 -0.865 -9.518
96 2HG LYS 13 2HG LYS 13 7.075 -0.788 -7.768
97 1HD LYS 13 1HD LYS 13 5.039 -2.403 -7.885
98 2HD LYS 13 2HD LYS 13 5.462 -2.641 -9.568
99 1HE LYS 13 1HE LYS 13 7.430 -3.060 -7.270
100 2HE LYS 13 2HE LYS 13 6.461 -4.349 -7.954
101 1HZ LYS 13 1HZ LYS 13 7.459 -3.806 -10.112
102 2HZ LYS 13 2HZ LYS 13 8.435 -2.714 -9.390
103 3HZ LYS 13 3HZ LYS 13 8.563 -4.299 -9.015
104 H TYR 14 H TYR 14 3.326 1.257 -8.732
105 HA TYR 14 HA TYR 14 1.793 2.631 -9.690
106 1HB TYR 14 1HB TYR 14 1.597 4.653 -7.925
107 2HB TYR 14 2HB TYR 14 1.319 3.011 -7.378
108 HD1 TYR 14 HD1 TYR 14 3.075 1.805 -6.085
109 HD2 TYR 14 HD2 TYR 14 3.514 5.916 -7.181
110 HE1 TYR 14 HE1 TYR 14 4.921 2.075 -4.357
111 HE2 TYR 14 HE2 TYR 14 5.358 6.174 -5.450
112 HH TYR 14 HH TYR 14 6.725 5.100 -4.108
113 H GLU 15 H GLU 15 3.647 3.052 -11.477
114 HA GLU 15 HA GLU 15 3.251 5.847 -11.945
115 1HB GLU 15 1HB GLU 15 5.548 5.563 -10.800
116 2HB GLU 15 2HB GLU 15 6.066 4.734 -12.255
117 1HG GLU 15 1HG GLU 15 5.373 6.764 -13.605
118 2HG GLU 15 2HG GLU 15 4.988 7.589 -12.108
119 H CYS 16 H CYS 16 1.732 4.271 -13.271
120 HA CYS 16 HA CYS 16 2.959 2.793 -15.343
121 1HB CYS 16 1HB CYS 16 0.692 2.455 -16.170
122 2HB CYS 16 2HB CYS 16 0.822 2.122 -14.454
123 H LEU 17 H LEU 17 2.979 3.319 -17.639
124 HA LEU 17 HA LEU 17 3.590 6.041 -18.094
125 1HB LEU 17 1HB LEU 17 3.461 3.554 -19.759
126 2HB LEU 17 2HB LEU 17 3.628 5.114 -20.537
127 HG LEU 17 HG LEU 17 5.762 3.820 -20.106
128 1HD1 LEU 17 1HD1 LEU 17 5.731 6.209 -20.667
129 2HD1 LEU 17 2HD1 LEU 17 5.588 6.613 -18.939
130 3HD1 LEU 17 3HD1 LEU 17 7.055 5.807 -19.546
131 1HD2 LEU 17 1HD2 LEU 17 5.171 3.036 -17.837
132 2HD2 LEU 17 2HD2 LEU 17 6.742 3.871 -17.894
133 3HD2 LEU 17 3HD2 LEU 17 5.313 4.708 -17.242
134 H LYS 18 H LYS 18 2.329 7.705 -18.774
135 HA LYS 18 HA LYS 18 0.575 8.824 -19.513
136 1HB LYS 18 1HB LYS 18 -0.302 6.256 -20.867
137 2HB LYS 18 2HB LYS 18 -0.865 7.875 -21.235
138 1HG LYS 18 1HG LYS 18 1.561 8.509 -21.748
139 2HG LYS 18 2HG LYS 18 1.979 6.817 -21.572
140 1HD LYS 18 1HD LYS 18 -0.115 7.866 -23.535
141 2HD LYS 18 2HD LYS 18 1.549 7.522 -23.965
142 1HE LYS 18 1HE LYS 18 0.859 5.399 -24.410
143 2HE LYS 18 2HE LYS 18 0.768 5.170 -22.675
144 1HZ LYS 18 1HZ LYS 18 -1.515 5.954 -22.769
145 2HZ LYS 18 2HZ LYS 18 -1.424 6.106 -24.392
146 3HZ LYS 18 3HZ LYS 18 -1.304 4.631 -23.702
147 H LEU 19 H LEU 19 -1.780 9.176 -19.095
148 HA LEU 19 HA LEU 19 -2.786 7.324 -17.056
149 1HB LEU 19 1HB LEU 19 -4.273 9.122 -16.390
150 2HB LEU 19 2HB LEU 19 -2.589 9.591 -16.285
151 HG LEU 19 HG LEU 19 -3.763 10.323 -18.858
152 1HD1 LEU 19 1HD1 LEU 19 -5.017 11.485 -16.356
153 2HD1 LEU 19 2HD1 LEU 19 -5.214 12.120 -18.007
154 3HD1 LEU 19 3HD1 LEU 19 -5.829 10.501 -17.596
155 1HD2 LEU 19 1HD2 LEU 19 -1.607 11.143 -17.978
156 2HD2 LEU 19 2HD2 LEU 19 -2.737 12.461 -18.373
157 3HD2 LEU 19 3HD2 LEU 19 -2.479 11.989 -16.676
158 H GLY 20 H GLY 20 -4.921 6.460 -17.252
159 1HA GLY 20 1HA GLY 20 -6.997 6.359 -18.399
160 2HA GLY 20 2HA GLY 20 -6.203 6.869 -19.875
161 H ASP 21 H ASP 21 -3.806 5.072 -19.343
162 HA ASP 21 HA ASP 21 -4.863 2.898 -20.778
163 1HB ASP 21 1HB ASP 21 -2.127 3.344 -19.494
164 2HB ASP 21 2HB ASP 21 -2.492 2.014 -20.575
165 H ASN 22 H ASN 22 -6.410 1.903 -19.246
166 HA ASN 22 HA ASN 22 -5.415 1.410 -16.600
167 1HB ASN 22 1HB ASN 22 -7.820 0.694 -16.177
168 2HB ASN 22 2HB ASN 22 -7.671 2.334 -16.778
169 1HD2 ASN 22 1HD2 ASN 22 -9.639 -0.576 -18.841
170 2HD2 ASN 22 2HD2 ASN 22 -8.646 -0.928 -17.467
171 H ASP 23 H ASP 23 -4.204 -0.157 -18.753
172 HA ASP 23 HA ASP 23 -5.319 -2.779 -18.200
173 1HB ASP 23 1HB ASP 23 -4.800 -2.243 -20.566
174 2HB ASP 23 2HB ASP 23 -3.146 -1.854 -20.137
175 H TYR 24 H TYR 24 -2.257 -0.822 -18.155
176 HA TYR 24 HA TYR 24 -0.640 -2.820 -17.041
177 1HB TYR 24 1HB TYR 24 -0.558 0.254 -16.821
178 2HB TYR 24 2HB TYR 24 0.828 -0.801 -16.628
179 HD1 TYR 24 HD1 TYR 24 0.902 -2.580 -18.821
180 HD2 TYR 24 HD2 TYR 24 -0.484 1.468 -18.787
181 HE1 TYR 24 HE1 TYR 24 1.388 -2.385 -21.309
182 HE2 TYR 24 HE2 TYR 24 0.006 1.649 -21.276
183 HH TYR 24 HH TYR 24 0.577 0.581 -23.076
184 H CYS 25 H CYS 25 -2.815 -0.366 -15.610
185 HA CYS 25 HA CYS 25 -1.895 -0.593 -12.990
186 1HB CYS 25 1HB CYS 25 -3.331 1.221 -13.740
187 2HB CYS 25 2HB CYS 25 -4.642 0.101 -14.048
188 H LEU 26 H LEU 26 -4.741 -2.135 -14.673
189 HA LEU 26 HA LEU 26 -5.496 -3.895 -12.749
190 1HB LEU 26 1HB LEU 26 -5.731 -3.643 -15.635
191 2HB LEU 26 2HB LEU 26 -5.697 -5.322 -15.132
192 HG LEU 26 HG LEU 26 -7.554 -3.327 -13.835
193 1HD1 LEU 26 1HD1 LEU 26 -8.072 -4.953 -16.338
194 2HD1 LEU 26 2HD1 LEU 26 -9.316 -4.099 -15.393
195 3HD1 LEU 26 3HD1 LEU 26 -8.023 -3.178 -16.198
196 1HD2 LEU 26 1HD2 LEU 26 -7.193 -5.443 -12.657
197 2HD2 LEU 26 2HD2 LEU 26 -8.858 -5.312 -13.271
198 3HD2 LEU 26 3HD2 LEU 26 -7.677 -6.342 -14.115
199 H ARG 27 H ARG 27 -2.840 -4.302 -15.176
200 HA ARG 27 HA ARG 27 -2.324 -6.914 -14.611
201 1HB ARG 27 1HB ARG 27 -0.641 -4.620 -15.662
202 2HB ARG 27 2HB ARG 27 0.133 -6.162 -15.354
203 1HG ARG 27 1HG ARG 27 -1.530 -7.297 -16.837
204 2HG ARG 27 2HG ARG 27 -2.314 -5.760 -17.140
205 1HD ARG 27 1HD ARG 27 0.152 -5.004 -17.868
206 2HD ARG 27 2HD ARG 27 0.392 -6.726 -18.083
207 HE ARG 27 HE ARG 27 -1.225 -4.985 -19.759
208 1HH1 ARG 27 2HH1 ARG 27 -0.758 -8.304 -18.697
209 2HH1 ARG 27 1HH1 ARG 27 -1.685 -8.986 -19.992
210 1HH2 ARG 27 1HH2 ARG 27 -2.498 -5.879 -21.439
211 2HH2 ARG 27 2HH2 ARG 27 -2.624 -7.599 -21.599
212 H GLU 28 H GLU 28 -0.832 -3.916 -13.197
213 HA GLU 28 HA GLU 28 1.054 -5.298 -11.707
214 1HB GLU 28 1HB GLU 28 0.749 -2.718 -12.366
215 2HB GLU 28 2HB GLU 28 0.016 -2.626 -10.777
216 1HG GLU 28 1HG GLU 28 2.221 -4.034 -10.093
217 2HG GLU 28 2HG GLU 28 2.865 -3.258 -11.526
218 H CYS 29 H CYS 29 -2.240 -4.055 -10.909
219 HA CYS 29 HA CYS 29 -2.215 -4.659 -8.216
220 1HB CYS 29 1HB CYS 29 -4.015 -3.594 -9.985
221 2HB CYS 29 2HB CYS 29 -4.771 -5.128 -9.599
222 H LYS 30 H LYS 30 -2.548 -6.672 -11.141
223 HA LYS 30 HA LYS 30 -3.966 -8.763 -9.864
224 1HB LYS 30 1HB LYS 30 -3.470 -7.987 -12.466
225 2HB LYS 30 2HB LYS 30 -2.495 -9.436 -12.320
226 1HG LYS 30 1HG LYS 30 -4.435 -10.734 -11.545
227 2HG LYS 30 2HG LYS 30 -5.426 -9.291 -11.477
228 1HD LYS 30 1HD LYS 30 -4.095 -10.096 -14.083
229 2HD LYS 30 2HD LYS 30 -5.583 -10.873 -13.584
230 1HE LYS 30 1HE LYS 30 -6.705 -8.650 -13.418
231 2HE LYS 30 2HE LYS 30 -5.213 -7.852 -13.875
232 1HZ LYS 30 1HZ LYS 30 -6.666 -9.791 -15.540
233 2HZ LYS 30 2HZ LYS 30 -6.665 -8.170 -15.751
234 3HZ LYS 30 3HZ LYS 30 -5.289 -9.024 -15.966
235 H GLN 31 H GLN 31 -0.543 -7.935 -10.327
236 HA GLN 31 HA GLN 31 0.150 -10.550 -9.255
237 1HB GLN 31 1HB GLN 31 1.889 -8.494 -10.687
238 2HB GLN 31 2HB GLN 31 2.451 -10.047 -10.102
239 1HG GLN 31 1HG GLN 31 0.767 -11.193 -11.578
240 2HG GLN 31 2HG GLN 31 0.253 -9.631 -12.185
241 1HE2 GLN 31 1HE2 GLN 31 2.625 -11.025 -14.633
242 2HE2 GLN 31 2HE2 GLN 31 1.069 -11.403 -13.973
243 H GLN 32 H GLN 32 -0.972 -8.500 -7.498
244 HA GLN 32 HA GLN 32 0.918 -9.288 -5.574
245 1HB GLN 32 1HB GLN 32 1.271 -7.031 -4.537
246 2HB GLN 32 2HB GLN 32 2.035 -7.197 -6.105
247 1HG GLN 32 1HG GLN 32 -0.130 -6.149 -7.093
248 2HG GLN 32 2HG GLN 32 -0.552 -5.730 -5.445
249 1HE2 GLN 32 1HE2 GLN 32 2.024 -3.499 -7.596
250 2HE2 GLN 32 2HE2 GLN 32 1.136 -4.853 -8.211
251 H TYR 33 H TYR 33 -1.994 -7.379 -6.458
252 HA TYR 33 HA TYR 33 -3.266 -8.450 -4.029
253 1HB TYR 33 1HB TYR 33 -3.607 -5.855 -5.654
254 2HB TYR 33 2HB TYR 33 -4.742 -6.330 -4.408
255 HD1 TYR 33 HD1 TYR 33 -3.050 -7.286 -2.228
256 HD2 TYR 33 HD2 TYR 33 -2.448 -3.990 -4.889
257 HE1 TYR 33 HE1 TYR 33 -1.608 -6.131 -0.482
258 HE2 TYR 33 HE2 TYR 33 -1.006 -2.846 -3.134
259 HH TYR 33 HH TYR 33 0.037 -3.090 -1.228
260 H GLY 34 H GLY 34 -2.953 -9.554 -6.873
261 1HA GLY 34 1HA GLY 34 -5.495 -9.403 -8.123
262 2HA GLY 34 2HA GLY 34 -4.244 -10.599 -8.396
263 H LYS 35 H LYS 35 -6.782 -9.661 -5.953
264 HA LYS 35 HA LYS 35 -7.391 -12.526 -5.805
265 1HB LYS 35 1HB LYS 35 -7.297 -10.499 -3.821
266 2HB LYS 35 2HB LYS 35 -8.986 -10.910 -4.034
267 1HG LYS 35 1HG LYS 35 -6.805 -13.016 -3.686
268 2HG LYS 35 2HG LYS 35 -7.693 -12.337 -2.336
269 1HD LYS 35 1HD LYS 35 -9.852 -13.067 -3.476
270 2HD LYS 35 2HD LYS 35 -8.881 -13.873 -4.693
271 1HE LYS 35 1HE LYS 35 -8.720 -14.458 -1.696
272 2HE LYS 35 2HE LYS 35 -9.650 -15.408 -2.838
273 1HZ LYS 35 1HZ LYS 35 -7.511 -15.689 -4.069
274 2HZ LYS 35 2HZ LYS 35 -6.742 -15.056 -2.774
275 3HZ LYS 35 3HZ LYS 35 -7.589 -16.445 -2.622
276 H GLY 36 H GLY 36 -7.836 -10.771 -8.180
277 1HA GLY 36 1HA GLY 36 -9.595 -10.523 -9.650
278 2HA GLY 36 2HA GLY 36 -10.740 -10.899 -8.378
279 H ALA 37 H ALA 37 -8.146 -8.590 -7.702
280 HA ALA 37 HA ALA 37 -10.070 -6.522 -7.248
281 1HB ALA 37 1HB ALA 37 -8.079 -6.899 -5.810
282 2HB ALA 37 2HB ALA 37 -7.025 -6.488 -7.184
283 3HB ALA 37 3HB ALA 37 -8.108 -5.256 -6.493
284 H GLY 38 H GLY 38 -9.473 -4.216 -8.159
285 1HA GLY 38 1HA GLY 38 -8.716 -4.440 -10.997
286 2HA GLY 38 2HA GLY 38 -10.267 -3.754 -10.557
287 H GLY 39 H GLY 39 -8.789 -2.032 -11.935
288 1HA GLY 39 1HA GLY 39 -8.292 0.131 -10.213
289 2HA GLY 39 2HA GLY 39 -6.762 -0.631 -10.601
290 H TYR 40 H TYR 40 -6.972 1.909 -11.489
291 HA TYR 40 HA TYR 40 -6.731 1.378 -14.318
292 1HB TYR 40 1HB TYR 40 -8.049 3.710 -14.542
293 2HB TYR 40 2HB TYR 40 -8.967 2.223 -14.408
294 HD1 TYR 40 HD1 TYR 40 -7.698 5.132 -12.467
295 HD2 TYR 40 HD2 TYR 40 -10.426 1.838 -12.568
296 HE1 TYR 40 HE1 TYR 40 -8.884 6.042 -10.410
297 HE2 TYR 40 HE2 TYR 40 -11.603 2.759 -10.510
298 HH TYR 40 HH TYR 40 -11.522 4.226 -8.900
299 H CYS 41 H CYS 41 -5.837 3.484 -15.437
300 HA CYS 41 HA CYS 41 -3.631 4.229 -13.712
301 1HB CYS 41 1HB CYS 41 -4.060 4.033 -16.654
302 2HB CYS 41 2HB CYS 41 -2.898 5.214 -16.083
303 H TYR 42 H TYR 42 -4.235 6.020 -12.455
304 HA TYR 42 HA TYR 42 -5.486 8.288 -13.715
305 1HB TYR 42 1HB TYR 42 -4.818 7.214 -11.092
306 2HB TYR 42 2HB TYR 42 -4.041 8.780 -11.212
307 HD1 TYR 42 HD1 TYR 42 -6.060 10.255 -12.878
308 HD2 TYR 42 HD2 TYR 42 -6.564 7.596 -9.563
309 HE1 TYR 42 HE1 TYR 42 -8.262 11.385 -12.294
310 HE2 TYR 42 HE2 TYR 42 -8.763 8.735 -8.992
311 HH TYR 42 HH TYR 42 -10.177 10.274 -9.512
312 H ALA 43 H ALA 43 -3.969 10.392 -12.528
313 HA ALA 43 HA ALA 43 -2.051 10.894 -14.441
314 1HB ALA 43 1HB ALA 43 -2.324 11.940 -11.594
315 2HB ALA 43 2HB ALA 43 -1.319 12.681 -12.862
316 3HB ALA 43 3HB ALA 43 -3.088 12.618 -13.052
317 H PHE 44 H PHE 44 -0.822 8.895 -14.685
318 HA PHE 44 HA PHE 44 1.001 7.684 -14.390
319 1HB PHE 44 1HB PHE 44 1.918 10.157 -12.805
320 2HB PHE 44 2HB PHE 44 2.974 9.025 -13.630
321 HD1 PHE 44 HD1 PHE 44 2.616 8.813 -16.212
322 HD2 PHE 44 HD2 PHE 44 1.265 12.099 -13.892
323 HE1 PHE 44 HE1 PHE 44 2.527 10.235 -18.278
324 HE2 PHE 44 HE2 PHE 44 1.176 13.521 -15.958
325 HZ PHE 44 HZ PHE 44 1.809 12.573 -18.126
326 H ALA 45 H ALA 45 -1.002 7.130 -12.379
327 HA ALA 45 HA ALA 45 0.862 5.366 -11.187
328 1HB ALA 45 1HB ALA 45 -0.540 7.415 -9.453
329 2HB ALA 45 2HB ALA 45 -0.060 5.827 -8.809
330 3HB ALA 45 3HB ALA 45 1.174 6.938 -9.451
331 H CYS 46 H CYS 46 -0.423 3.679 -9.803
332 HA CYS 46 HA CYS 46 -2.809 3.170 -11.391
333 1HB CYS 46 1HB CYS 46 -1.231 1.433 -11.605
334 2HB CYS 46 2HB CYS 46 -0.908 1.387 -9.882
335 H TRP 47 H TRP 47 -4.614 4.023 -10.346
336 HA TRP 47 HA TRP 47 -4.896 3.678 -7.492
337 1HB TRP 47 1HB TRP 47 -5.761 5.684 -8.531
338 2HB TRP 47 2HB TRP 47 -6.761 4.742 -9.619
339 HD1 TRP 47 HD1 TRP 47 -8.742 3.172 -8.233
340 HE1 TRP 47 HE1 TRP 47 -10.284 3.807 -6.187
341 HE3 TRP 47 HE3 TRP 47 -5.854 7.015 -6.576
342 HZ2 TRP 47 HZ2 TRP 47 -10.124 5.800 -4.151
343 HZ3 TRP 47 HZ3 TRP 47 -6.618 8.253 -4.553
344 HH2 TRP 47 HH2 TRP 47 -8.674 7.701 -3.350
345 H CYS 48 H CYS 48 -5.440 1.708 -6.663
346 HA CYS 48 HA CYS 48 -6.936 -0.095 -8.405
347 1HB CYS 48 1HB CYS 48 -5.071 -0.510 -6.098
348 2HB CYS 48 2HB CYS 48 -6.295 -1.719 -6.436
349 H THR 49 H THR 49 -8.887 -1.167 -7.490
350 HA THR 49 HA THR 49 -10.154 0.390 -5.383
351 HB THR 49 HB THR 49 -10.410 1.896 -7.273
352 HG1 THR 49 HG1 THR 49 -12.446 1.702 -6.333
353 1HG2 THR 49 1HG2 THR 49 -10.809 -0.675 -8.775
354 2HG2 THR 49 2HG2 THR 49 -11.858 0.684 -9.247
355 3HG2 THR 49 3HG2 THR 49 -10.089 0.856 -9.329
356 H HIS 50 H HIS 50 -9.473 -2.359 -5.365
357 HA HIS 50 HA HIS 50 -11.997 -2.929 -4.284
358 1HB HIS 50 1HB HIS 50 -11.365 -4.135 -6.899
359 2HB HIS 50 2HB HIS 50 -11.830 -5.297 -5.671
360 HD1 HIS 50 HD1 HIS 50 -14.114 -4.129 -4.203
361 HD2 HIS 50 HD2 HIS 50 -13.583 -3.439 -8.306
362 HE1 HIS 50 HE1 HIS 50 -16.404 -3.476 -5.120
363 H LEU 51 H LEU 51 -10.017 -2.597 -2.728
364 HA LEU 51 HA LEU 51 -8.361 -5.014 -2.664
365 1HB LEU 51 1HB LEU 51 -7.808 -2.311 -1.439
366 2HB LEU 51 2HB LEU 51 -6.713 -3.677 -1.522
367 HG LEU 51 HG LEU 51 -7.799 -2.410 -4.033
368 1HD1 LEU 51 1HD1 LEU 51 -6.811 -0.624 -2.622
369 2HD1 LEU 51 2HD1 LEU 51 -5.281 -1.535 -2.592
370 3HD1 LEU 51 3HD1 LEU 51 -5.916 -0.910 -4.133
371 1HD2 LEU 51 1HD2 LEU 51 -5.356 -4.076 -3.385
372 2HD2 LEU 51 2HD2 LEU 51 -6.750 -4.521 -4.398
373 3HD2 LEU 51 3HD2 LEU 51 -5.619 -3.259 -4.944
374 H TYR 52 H TYR 52 -7.662 -5.688 -0.360
375 HA TYR 52 HA TYR 52 -9.773 -5.049 1.578
376 1HB TYR 52 1HB TYR 52 -8.175 -6.972 2.717
377 2HB TYR 52 2HB TYR 52 -9.491 -7.391 1.638
378 HD1 TYR 52 HD1 TYR 52 -5.873 -6.394 1.423
379 HD2 TYR 52 HD2 TYR 52 -9.025 -8.856 -0.097
380 HE1 TYR 52 HE1 TYR 52 -4.232 -7.541 -0.144
381 HE2 TYR 52 HE2 TYR 52 -7.373 -9.995 -1.659
382 HH TYR 52 HH TYR 52 -5.340 -10.088 -2.366
383 H GLU 53 H GLU 53 -8.595 -5.287 3.975
384 HA GLU 53 HA GLU 53 -7.325 -2.801 4.097
385 1HB GLU 53 1HB GLU 53 -7.169 -3.285 6.543
386 2HB GLU 53 2HB GLU 53 -8.772 -3.578 5.902
387 1HG GLU 53 1HG GLU 53 -6.953 -5.937 5.796
388 2HG GLU 53 2HG GLU 53 -7.335 -5.387 7.416
389 H GLN 54 H GLN 54 -6.154 -6.013 3.540
390 HA GLN 54 HA GLN 54 -3.611 -5.592 4.736
391 1HB GLN 54 1HB GLN 54 -4.785 -7.742 2.940
392 2HB GLN 54 2HB GLN 54 -3.086 -7.749 3.367
393 1HG GLN 54 1HG GLN 54 -3.664 -7.787 5.782
394 2HG GLN 54 2HG GLN 54 -5.370 -7.690 5.396
395 1HE2 GLN 54 1HE2 GLN 54 -5.250 -11.182 5.890
396 2HE2 GLN 54 2HE2 GLN 54 -5.556 -9.642 6.620
397 H ALA 55 H ALA 55 -5.097 -4.325 1.994
398 HA ALA 55 HA ALA 55 -2.592 -4.091 0.526
399 1HB ALA 55 1HB ALA 55 -4.811 -4.503 -0.609
400 2HB ALA 55 2HB ALA 55 -5.322 -2.885 -0.068
401 3HB ALA 55 3HB ALA 55 -3.947 -3.057 -1.186
402 H ILE 56 H ILE 56 -1.403 -2.172 0.377
403 HA ILE 56 HA ILE 56 -2.341 -0.019 2.143
404 HB ILE 56 HB ILE 56 0.504 -0.878 1.603
405 1HG1 ILE 56 1HG1 ILE 56 -1.125 -1.208 4.138
406 2HG1 ILE 56 2HG1 ILE 56 -0.840 -2.490 2.977
407 1HG2 ILE 56 1HG2 ILE 56 -0.627 1.244 3.448
408 2HG2 ILE 56 2HG2 ILE 56 1.071 0.715 3.395
409 3HG2 ILE 56 3HG2 ILE 56 0.344 1.512 1.980
410 1HD1 ILE 56 1HD1 ILE 56 1.691 -1.958 3.266
411 2HD1 ILE 56 2HD1 ILE 56 1.193 -1.042 4.708
412 3HD1 ILE 56 3HD1 ILE 56 0.866 -2.788 4.607
413 H VAL 57 H VAL 57 -1.816 2.175 1.463
414 HA VAL 57 HA VAL 57 -1.285 2.332 -1.420
415 HB VAL 57 HB VAL 57 -3.444 2.840 -1.629
416 1HG1 VAL 57 1HG1 VAL 57 -3.531 3.492 1.336
417 2HG1 VAL 57 2HG1 VAL 57 -4.940 3.486 0.248
418 3HG1 VAL 57 3HG1 VAL 57 -4.048 1.977 0.557
419 1HG2 VAL 57 1HG2 VAL 57 -2.556 5.388 -0.233
420 2HG2 VAL 57 2HG2 VAL 57 -2.431 5.026 -1.972
421 3HG2 VAL 57 3HG2 VAL 57 -4.031 5.211 -1.214
422 H TRP 58 H TRP 58 -0.387 4.507 -2.093
423 HA TRP 58 HA TRP 58 1.975 4.440 -0.640
424 1HB TRP 58 1HB TRP 58 1.862 4.873 -3.029
425 2HB TRP 58 2HB TRP 58 1.035 6.392 -2.747
426 HD1 TRP 58 HD1 TRP 58 4.543 4.829 -2.494
427 HE1 TRP 58 HE1 TRP 58 6.404 6.682 -2.227
428 HE3 TRP 58 HE3 TRP 58 1.325 8.714 -1.861
429 HZ2 TRP 58 HZ2 TRP 58 6.321 9.501 -1.791
430 HZ3 TRP 58 HZ3 TRP 58 2.296 10.985 -1.521
431 HH2 TRP 58 HH2 TRP 58 4.703 11.411 -1.480
432 HA PRO 59 HA PRO 59 3.512 5.354 -0.159
433 1HB PRO 59 1HB PRO 59 5.166 6.116 1.879
434 2HB PRO 59 2HB PRO 59 5.128 6.922 0.324
435 1HG PRO 59 1HG PRO 59 4.013 7.826 2.909
436 2HG PRO 59 2HG PRO 59 4.362 8.770 1.474
437 1HD PRO 59 1HD PRO 59 1.782 7.892 2.365
438 2HD PRO 59 2HD PRO 59 2.144 8.735 0.872
439 H LEU 60 H LEU 60 4.898 3.651 1.158
440 HA LEU 60 HA LEU 60 3.387 2.463 3.233
441 1HB LEU 60 1HB LEU 60 6.348 2.357 2.639
442 2HB LEU 60 2HB LEU 60 5.492 1.308 3.752
443 HG LEU 60 HG LEU 60 4.549 1.415 0.914
444 1HD1 LEU 60 1HD1 LEU 60 7.075 0.014 1.822
445 2HD1 LEU 60 2HD1 LEU 60 6.199 -0.371 0.320
446 3HD1 LEU 60 3HD1 LEU 60 6.907 1.247 0.549
447 1HD2 LEU 60 1HD2 LEU 60 4.731 -0.765 3.010
448 2HD2 LEU 60 2HD2 LEU 60 3.270 0.102 2.478
449 3HD2 LEU 60 3HD2 LEU 60 4.116 -0.989 1.354
450 HA PRO 61 HA PRO 61 3.609 5.115 6.296
451 1HB PRO 61 1HB PRO 61 3.670 3.643 8.598
452 2HB PRO 61 2HB PRO 61 2.251 3.766 7.576
453 1HG PRO 61 1HG PRO 61 4.135 1.507 7.870
454 2HG PRO 61 2HG PRO 61 2.514 1.505 7.204
455 1HD PRO 61 1HD PRO 61 4.974 1.423 5.731
456 2HD PRO 61 2HD PRO 61 3.356 1.539 5.065
457 H ASN 62 H ASN 62 6.317 2.946 6.734
458 HA ASN 62 HA ASN 62 7.891 5.319 6.937
459 1HB ASN 62 1HB ASN 62 9.194 4.262 8.940
460 2HB ASN 62 2HB ASN 62 7.668 5.043 9.302
461 1HD2 ASN 62 1HD2 ASN 62 5.944 2.190 10.325
462 2HD2 ASN 62 2HD2 ASN 62 5.884 3.861 9.875
463 H LYS 63 H LYS 63 7.736 3.589 4.781
464 HA LYS 63 HA LYS 63 10.476 3.127 4.512
465 1HB LYS 63 1HB LYS 63 10.302 0.625 4.018
466 2HB LYS 63 2HB LYS 63 10.352 1.116 5.700
467 1HG LYS 63 1HG LYS 63 7.771 1.075 5.660
468 2HG LYS 63 2HG LYS 63 7.892 0.299 4.093
469 1HD LYS 63 1HD LYS 63 7.984 -1.657 5.263
470 2HD LYS 63 2HD LYS 63 9.654 -1.231 5.585
471 1HE LYS 63 1HE LYS 63 7.311 -0.407 7.366
472 2HE LYS 63 2HE LYS 63 8.313 -1.815 7.659
473 1HZ LYS 63 1HZ LYS 63 10.226 -0.311 7.724
474 2HZ LYS 63 2HZ LYS 63 9.229 0.974 7.575
475 3HZ LYS 63 3HZ LYS 63 9.135 0.018 8.895
476 H ARG 64 H ARG 64 9.036 4.817 3.111
477 HA ARG 64 HA ARG 64 7.872 3.666 0.837
478 1HB ARG 64 1HB ARG 64 7.816 5.931 -0.036
479 2HB ARG 64 2HB ARG 64 7.510 6.043 1.685
480 1HG ARG 64 1HG ARG 64 10.081 6.407 1.940
481 2HG ARG 64 2HG ARG 64 10.097 6.669 0.207
482 1HD ARG 64 1HD ARG 64 8.199 8.411 0.626
483 2HD ARG 64 2HD ARG 64 8.624 8.295 2.322
484 HE ARG 64 HE ARG 64 10.963 8.741 0.640
485 1HH1 ARG 64 2HH1 ARG 64 8.178 10.417 1.974
486 2HH1 ARG 64 1HH1 ARG 64 9.036 11.894 2.256
487 1HH2 ARG 64 1HH2 ARG 64 12.098 10.700 0.989
488 2HH2 ARG 64 2HH2 ARG 64 11.262 12.079 1.620
489 H CYS 65 H CYS 65 8.898 4.463 -1.472
490 HA CYS 65 HA CYS 65 10.869 2.595 -1.822
491 1HB CYS 65 1HB CYS 65 9.294 3.546 -3.541
492 2HB CYS 65 2HB CYS 65 10.347 4.943 -3.652
493 H SER 66 H SER 66 11.102 6.225 -1.728
494 HA SER 66 HA SER 66 13.862 6.218 -2.147
495 1HB SER 66 1HB SER 66 13.669 8.641 -1.363
496 2HB SER 66 2HB SER 66 12.644 8.199 -2.713
497 HG SER 66 HG SER 66 10.933 8.715 -1.547
498 1HN NH2 67 1H SER 66 11.799 5.955 0.651
499 2HN NH2 67 2H SER 66 13.015 5.988 1.883
No H/Q in entry = 499
Start of MODEL 13
1 1H LYS 1 1H LYS 1 -11.666 -0.046 0.586
2 2H LYS 1 2H LYS 1 -11.976 0.311 2.172
3 3H LYS 1 3H LYS 1 -11.315 1.459 1.179
4 HA LYS 1 HA LYS 1 -9.606 0.729 2.477
5 1HB LYS 1 1HB LYS 1 -9.129 -1.863 2.351
6 2HB LYS 1 2HB LYS 1 -10.238 -1.195 3.531
7 1HG LYS 1 1HG LYS 1 -12.172 -1.771 2.162
8 2HG LYS 1 2HG LYS 1 -11.155 -2.195 0.799
9 1HD LYS 1 1HD LYS 1 -10.519 -4.236 1.715
10 2HD LYS 1 2HD LYS 1 -10.610 -3.653 3.365
11 1HE LYS 1 1HE LYS 1 -13.169 -3.870 1.764
12 2HE LYS 1 2HE LYS 1 -12.452 -5.337 2.400
13 1HZ LYS 1 1HZ LYS 1 -12.958 -2.985 4.077
14 2HZ LYS 1 2HZ LYS 1 -14.053 -4.181 3.880
15 3HZ LYS 1 3HZ LYS 1 -12.607 -4.502 4.569
16 H GLU 2 H GLU 2 -9.444 2.031 0.220
17 HA GLU 2 HA GLU 2 -8.161 0.251 -1.703
18 1HB GLU 2 1HB GLU 2 -9.497 2.893 -2.388
19 2HB GLU 2 2HB GLU 2 -9.045 1.600 -3.482
20 1HG GLU 2 1HG GLU 2 -11.320 1.649 -1.469
21 2HG GLU 2 2HG GLU 2 -11.407 1.365 -3.196
22 H GLY 3 H GLY 3 -6.361 1.263 -3.028
23 1HA GLY 3 1HA GLY 3 -5.862 3.961 -3.029
24 2HA GLY 3 2HA GLY 3 -4.847 3.324 -1.751
25 H TYR 4 H TYR 4 -3.078 4.121 -3.260
26 HA TYR 4 HA TYR 4 -2.589 2.754 -5.677
27 1HB TYR 4 1HB TYR 4 -0.880 4.213 -3.571
28 2HB TYR 4 2HB TYR 4 -0.226 3.710 -5.117
29 HD1 TYR 4 HD1 TYR 4 -1.609 4.562 -7.238
30 HD2 TYR 4 HD2 TYR 4 -1.703 6.378 -3.365
31 HE1 TYR 4 HE1 TYR 4 -2.395 6.747 -8.274
32 HE2 TYR 4 HE2 TYR 4 -2.489 8.556 -4.414
33 HH TYR 4 HH TYR 4 -3.016 9.590 -6.228
34 H LEU 5 H LEU 5 -0.283 1.578 -5.868
35 HA LEU 5 HA LEU 5 -0.425 -0.597 -3.906
36 1HB LEU 5 1HB LEU 5 -0.257 -0.493 -6.796
37 2HB LEU 5 2HB LEU 5 1.068 -1.422 -6.124
38 HG LEU 5 HG LEU 5 -0.591 -2.806 -4.867
39 1HD1 LEU 5 1HD1 LEU 5 -2.598 -1.196 -6.463
40 2HD1 LEU 5 2HD1 LEU 5 -2.967 -2.718 -5.618
41 3HD1 LEU 5 3HD1 LEU 5 -2.443 -1.292 -4.692
42 1HD2 LEU 5 1HD2 LEU 5 -0.505 -2.689 -7.862
43 2HD2 LEU 5 2HD2 LEU 5 0.183 -3.891 -6.744
44 3HD2 LEU 5 3HD2 LEU 5 -1.570 -3.863 -7.052
45 H VAL 6 H VAL 6 1.774 -1.692 -3.458
46 HA VAL 6 HA VAL 6 3.816 0.333 -3.149
47 HB VAL 6 HB VAL 6 2.411 1.118 -1.459
48 1HG1 VAL 6 1HG1 VAL 6 1.890 -1.775 -0.701
49 2HG1 VAL 6 2HG1 VAL 6 1.334 -0.368 0.238
50 3HG1 VAL 6 3HG1 VAL 6 0.739 -0.624 -1.420
51 1HG2 VAL 6 1HG2 VAL 6 4.778 0.639 -0.758
52 2HG2 VAL 6 2HG2 VAL 6 3.608 0.710 0.582
53 3HG2 VAL 6 3HG2 VAL 6 4.191 -0.865 -0.008
54 H ASP 7 H ASP 7 5.826 -0.579 -2.697
55 HA ASP 7 HA ASP 7 5.798 -3.472 -2.528
56 1HB ASP 7 1HB ASP 7 7.230 -1.921 -4.183
57 2HB ASP 7 2HB ASP 7 8.313 -1.817 -2.810
58 H LYS 8 H LYS 8 7.801 -4.330 -1.102
59 HA LYS 8 HA LYS 8 7.761 -2.842 1.411
60 1HB LYS 8 1HB LYS 8 7.576 -5.597 0.742
61 2HB LYS 8 2HB LYS 8 9.103 -5.384 1.574
62 1HG LYS 8 1HG LYS 8 7.919 -4.167 3.421
63 2HG LYS 8 2HG LYS 8 6.394 -4.403 2.592
64 1HD LYS 8 1HD LYS 8 6.709 -6.887 2.729
65 2HD LYS 8 2HD LYS 8 8.226 -6.643 3.574
66 1HE LYS 8 1HE LYS 8 7.009 -5.442 5.407
67 2HE LYS 8 2HE LYS 8 5.494 -5.690 4.562
68 1HZ LYS 8 1HZ LYS 8 7.264 -7.830 5.524
69 2HZ LYS 8 2HZ LYS 8 5.859 -7.371 6.219
70 3HZ LYS 8 3HZ LYS 8 5.850 -8.059 4.738
71 H ASN 9 H ASN 9 9.636 -3.298 -1.421
72 HA ASN 9 HA ASN 9 12.157 -3.279 -0.120
73 1HB ASN 9 1HB ASN 9 11.130 -3.271 -2.948
74 2HB ASN 9 2HB ASN 9 12.732 -2.600 -2.716
75 1HD2 ASN 9 1HD2 ASN 9 14.298 -5.615 -1.680
76 2HD2 ASN 9 2HD2 ASN 9 14.303 -3.891 -1.515
77 H THR 10 H THR 10 10.866 -1.068 -2.713
78 HA THR 10 HA THR 10 12.289 1.135 -1.401
79 HB THR 10 HB THR 10 11.990 2.161 -3.732
80 HG1 THR 10 HG1 THR 10 11.233 0.516 -5.302
81 1HG2 THR 10 1HG2 THR 10 14.047 0.732 -3.100
82 2HG2 THR 10 2HG2 THR 10 13.205 -0.643 -3.856
83 3HG2 THR 10 3HG2 THR 10 13.651 0.775 -4.835
84 H GLY 11 H GLY 11 9.135 -0.188 -1.770
85 1HA GLY 11 1HA GLY 11 7.171 0.792 -0.993
86 2HA GLY 11 2HA GLY 11 7.896 2.383 -1.107
87 H CYS 12 H CYS 12 9.015 1.471 -3.943
88 HA CYS 12 HA CYS 12 7.165 3.348 -4.939
89 1HB CYS 12 1HB CYS 12 9.786 2.471 -5.553
90 2HB CYS 12 2HB CYS 12 8.835 2.257 -7.008
91 H LYS 13 H LYS 13 8.091 -0.039 -5.911
92 HA LYS 13 HA LYS 13 6.869 -1.700 -6.713
93 1HB LYS 13 1HB LYS 13 5.159 -0.798 -5.019
94 2HB LYS 13 2HB LYS 13 4.354 -0.058 -6.388
95 1HG LYS 13 1HG LYS 13 3.263 -2.130 -6.286
96 2HG LYS 13 2HG LYS 13 4.508 -2.460 -7.474
97 1HD LYS 13 1HD LYS 13 5.783 -3.759 -5.993
98 2HD LYS 13 2HD LYS 13 5.184 -2.927 -4.572
99 1HE LYS 13 1HE LYS 13 2.841 -4.007 -5.395
100 2HE LYS 13 2HE LYS 13 3.923 -5.172 -6.133
101 1HZ LYS 13 1HZ LYS 13 4.972 -5.416 -3.944
102 2HZ LYS 13 2HZ LYS 13 3.842 -4.434 -3.291
103 3HZ LYS 13 3HZ LYS 13 3.401 -5.864 -3.944
104 H TYR 14 H TYR 14 4.844 1.061 -7.938
105 HA TYR 14 HA TYR 14 5.573 0.207 -10.639
106 1HB TYR 14 1HB TYR 14 2.779 0.351 -9.341
107 2HB TYR 14 2HB TYR 14 3.050 0.019 -11.041
108 HD1 TYR 14 HD1 TYR 14 5.393 -1.871 -10.818
109 HD2 TYR 14 HD2 TYR 14 1.743 -1.631 -8.599
110 HE1 TYR 14 HE1 TYR 14 5.534 -4.357 -10.304
111 HE2 TYR 14 HE2 TYR 14 1.897 -4.118 -8.092
112 HH TYR 14 HH TYR 14 3.004 -6.132 -9.285
113 H GLU 15 H GLU 15 5.336 1.819 -12.213
114 HA GLU 15 HA GLU 15 3.697 4.079 -11.509
115 1HB GLU 15 1HB GLU 15 5.588 5.623 -12.429
116 2HB GLU 15 2HB GLU 15 5.710 5.051 -10.777
117 1HG GLU 15 1HG GLU 15 6.964 3.417 -12.998
118 2HG GLU 15 2HG GLU 15 7.789 4.853 -12.426
119 H CYS 16 H CYS 16 2.286 3.166 -13.140
120 HA CYS 16 HA CYS 16 3.120 2.499 -15.693
121 1HB CYS 16 1HB CYS 16 0.706 2.911 -16.308
122 2HB CYS 16 2HB CYS 16 1.012 1.741 -15.040
123 H LEU 17 H LEU 17 4.172 3.857 -17.114
124 HA LEU 17 HA LEU 17 4.031 6.685 -16.624
125 1HB LEU 17 1HB LEU 17 5.612 5.084 -18.639
126 2HB LEU 17 2HB LEU 17 5.804 6.796 -18.317
127 HG LEU 17 HG LEU 17 6.327 4.551 -16.347
128 1HD1 LEU 17 1HD1 LEU 17 7.984 4.637 -18.142
129 2HD1 LEU 17 2HD1 LEU 17 8.259 6.365 -17.818
130 3HD1 LEU 17 3HD1 LEU 17 8.686 5.150 -16.589
131 1HD2 LEU 17 1HD2 LEU 17 6.527 7.554 -16.061
132 2HD2 LEU 17 2HD2 LEU 17 5.594 6.404 -15.072
133 3HD2 LEU 17 3HD2 LEU 17 7.371 6.413 -14.986
134 H LYS 18 H LYS 18 1.533 6.373 -17.181
135 HA LYS 18 HA LYS 18 0.975 7.359 -19.727
136 1HB LYS 18 1HB LYS 18 1.762 5.141 -20.481
137 2HB LYS 18 2HB LYS 18 0.557 4.365 -19.474
138 1HG LYS 18 1HG LYS 18 -0.571 4.447 -21.521
139 2HG LYS 18 2HG LYS 18 -1.156 5.916 -20.767
140 1HD LYS 18 1HD LYS 18 0.617 7.229 -21.958
141 2HD LYS 18 2HD LYS 18 1.188 5.758 -22.721
142 1HE LYS 18 1HE LYS 18 -1.022 5.446 -23.824
143 2HE LYS 18 2HE LYS 18 -1.641 6.876 -23.023
144 1HZ LYS 18 1HZ LYS 18 0.625 6.841 -24.895
145 2HZ LYS 18 2HZ LYS 18 -0.886 7.356 -25.241
146 3HZ LYS 18 3HZ LYS 18 0.027 8.171 -24.159
147 H LEU 19 H LEU 19 0.005 8.588 -17.807
148 HA LEU 19 HA LEU 19 -1.904 7.346 -16.183
149 1HB LEU 19 1HB LEU 19 -2.393 9.527 -15.389
150 2HB LEU 19 2HB LEU 19 -0.663 9.399 -15.638
151 HG LEU 19 HG LEU 19 -1.446 10.464 -18.030
152 1HD1 LEU 19 1HD1 LEU 19 -3.778 10.673 -17.300
153 2HD1 LEU 19 2HD1 LEU 19 -3.259 11.686 -15.931
154 3HD1 LEU 19 3HD1 LEU 19 -3.034 12.263 -17.600
155 1HD2 LEU 19 1HD2 LEU 19 -0.680 11.951 -15.503
156 2HD2 LEU 19 2HD2 LEU 19 0.429 11.222 -16.689
157 3HD2 LEU 19 3HD2 LEU 19 -0.592 12.603 -17.156
158 H GLY 20 H GLY 20 -4.187 7.304 -16.247
159 1HA GLY 20 1HA GLY 20 -6.241 7.738 -17.324
160 2HA GLY 20 2HA GLY 20 -5.394 8.046 -18.827
161 H ASP 21 H ASP 21 -3.701 5.884 -19.173
162 HA ASP 21 HA ASP 21 -5.662 4.225 -20.276
163 1HB ASP 21 1HB ASP 21 -2.628 3.931 -20.076
164 2HB ASP 21 2HB ASP 21 -3.638 2.875 -21.044
165 H ASN 22 H ASN 22 -6.816 2.989 -18.715
166 HA ASN 22 HA ASN 22 -5.314 1.779 -16.590
167 1HB ASN 22 1HB ASN 22 -7.615 1.044 -15.805
168 2HB ASN 22 2HB ASN 22 -7.471 2.778 -16.005
169 1HD2 ASN 22 1HD2 ASN 22 -10.628 1.373 -17.561
170 2HD2 ASN 22 2HD2 ASN 22 -9.862 1.239 -16.013
171 H ASP 23 H ASP 23 -4.232 0.494 -18.593
172 HA ASP 23 HA ASP 23 -5.832 -1.891 -19.042
173 1HB ASP 23 1HB ASP 23 -4.865 -0.993 -21.078
174 2HB ASP 23 2HB ASP 23 -3.294 -0.801 -20.326
175 H TYR 24 H TYR 24 -2.376 -0.906 -18.345
176 HA TYR 24 HA TYR 24 -1.676 -3.546 -17.592
177 1HB TYR 24 1HB TYR 24 -0.392 -0.774 -17.168
178 2HB TYR 24 2HB TYR 24 0.473 -2.288 -16.991
179 HD1 TYR 24 HD1 TYR 24 0.412 -3.870 -19.132
180 HD2 TYR 24 HD2 TYR 24 -0.270 0.353 -19.201
181 HE1 TYR 24 HE1 TYR 24 1.019 -3.806 -21.601
182 HE2 TYR 24 HE2 TYR 24 0.339 0.404 -21.669
183 HH TYR 24 HH TYR 24 1.173 -2.598 -23.382
184 H CYS 25 H CYS 25 -2.952 -0.735 -15.881
185 HA CYS 25 HA CYS 25 -2.119 -1.609 -13.313
186 1HB CYS 25 1HB CYS 25 -4.200 0.374 -14.238
187 2HB CYS 25 2HB CYS 25 -3.901 0.028 -12.547
188 H LEU 26 H LEU 26 -4.938 -2.058 -15.489
189 HA LEU 26 HA LEU 26 -6.506 -3.358 -13.482
190 1HB LEU 26 1HB LEU 26 -6.903 -2.208 -16.035
191 2HB LEU 26 2HB LEU 26 -7.374 -3.891 -16.165
192 HG LEU 26 HG LEU 26 -8.411 -2.062 -13.990
193 1HD1 LEU 26 1HD1 LEU 26 -9.649 -2.656 -16.691
194 2HD1 LEU 26 2HD1 LEU 26 -10.457 -1.820 -15.344
195 3HD1 LEU 26 3HD1 LEU 26 -9.034 -1.086 -16.121
196 1HD2 LEU 26 1HD2 LEU 26 -8.553 -4.482 -13.548
197 2HD2 LEU 26 2HD2 LEU 26 -10.155 -3.728 -13.726
198 3HD2 LEU 26 3HD2 LEU 26 -9.473 -4.692 -15.058
199 H ARG 27 H ARG 27 -3.933 -4.259 -15.676
200 HA ARG 27 HA ARG 27 -4.454 -7.030 -15.379
201 1HB ARG 27 1HB ARG 27 -2.147 -5.341 -16.378
202 2HB ARG 27 2HB ARG 27 -1.844 -7.027 -16.010
203 1HG ARG 27 1HG ARG 27 -3.847 -7.610 -17.507
204 2HG ARG 27 2HG ARG 27 -3.887 -5.927 -17.992
205 1HD ARG 27 1HD ARG 27 -1.659 -6.059 -18.960
206 2HD ARG 27 2HD ARG 27 -1.365 -7.627 -18.235
207 HE ARG 27 HE ARG 27 -2.508 -8.618 -20.011
208 1HH1 ARG 27 2HH1 ARG 27 -3.036 -5.159 -20.136
209 2HH1 ARG 27 1HH1 ARG 27 -4.285 -5.250 -21.333
210 1HH2 ARG 27 1HH2 ARG 27 -4.145 -8.759 -21.632
211 2HH2 ARG 27 2HH2 ARG 27 -4.804 -7.302 -22.297
212 H GLU 28 H GLU 28 -2.357 -4.530 -13.812
213 HA GLU 28 HA GLU 28 -0.847 -6.300 -12.333
214 1HB GLU 28 1HB GLU 28 -0.400 -3.828 -12.794
215 2HB GLU 28 2HB GLU 28 -1.560 -3.447 -11.536
216 1HG GLU 28 1HG GLU 28 0.648 -3.423 -10.527
217 2HG GLU 28 2HG GLU 28 -0.197 -4.831 -9.915
218 H CYS 29 H CYS 29 -3.719 -4.304 -11.328
219 HA CYS 29 HA CYS 29 -3.833 -5.139 -8.732
220 1HB CYS 29 1HB CYS 29 -5.250 -3.417 -10.178
221 2HB CYS 29 2HB CYS 29 -6.393 -4.745 -10.219
222 H LYS 30 H LYS 30 -4.930 -6.719 -11.759
223 HA LYS 30 HA LYS 30 -6.585 -8.614 -10.457
224 1HB LYS 30 1HB LYS 30 -6.640 -7.715 -12.896
225 2HB LYS 30 2HB LYS 30 -5.430 -8.940 -13.221
226 1HG LYS 30 1HG LYS 30 -6.924 -10.718 -12.423
227 2HG LYS 30 2HG LYS 30 -8.104 -9.543 -11.875
228 1HD LYS 30 1HD LYS 30 -7.227 -9.770 -14.789
229 2HD LYS 30 2HD LYS 30 -8.597 -10.649 -14.139
230 1HE LYS 30 1HE LYS 30 -9.876 -8.818 -14.547
231 2HE LYS 30 2HE LYS 30 -9.009 -7.992 -13.268
232 1HZ LYS 30 1HZ LYS 30 -8.085 -8.105 -16.054
233 2HZ LYS 30 2HZ LYS 30 -8.924 -6.857 -15.416
234 3HZ LYS 30 3HZ LYS 30 -7.435 -7.216 -14.849
235 H GLN 31 H GLN 31 -3.268 -8.758 -11.926
236 HA GLN 31 HA GLN 31 -3.058 -11.402 -10.722
237 1HB GLN 31 1HB GLN 31 -1.462 -10.229 -13.041
238 2HB GLN 31 2HB GLN 31 -1.356 -11.875 -12.451
239 1HG GLN 31 1HG GLN 31 -4.083 -11.631 -12.883
240 2HG GLN 31 2HG GLN 31 -3.441 -10.609 -14.153
241 1HE2 GLN 31 1HE2 GLN 31 -1.821 -13.168 -15.984
242 2HE2 GLN 31 2HE2 GLN 31 -1.801 -11.486 -15.571
243 H GLN 32 H GLN 32 -2.665 -9.194 -8.985
244 HA GLN 32 HA GLN 32 -0.361 -10.438 -7.975
245 1HB GLN 32 1HB GLN 32 1.251 -8.826 -8.081
246 2HB GLN 32 2HB GLN 32 0.316 -8.231 -9.439
247 1HG GLN 32 1HG GLN 32 0.519 -6.293 -8.133
248 2HG GLN 32 2HG GLN 32 -1.044 -6.895 -7.615
249 1HE2 GLN 32 1HE2 GLN 32 2.270 -7.516 -5.185
250 2HE2 GLN 32 2HE2 GLN 32 2.426 -7.264 -6.892
251 H TYR 33 H TYR 33 -2.837 -7.850 -7.786
252 HA TYR 33 HA TYR 33 -3.064 -8.458 -4.916
253 1HB TYR 33 1HB TYR 33 -2.985 -6.053 -6.531
254 2HB TYR 33 2HB TYR 33 -4.639 -6.205 -5.972
255 HD1 TYR 33 HD1 TYR 33 -4.975 -6.583 -3.404
256 HD2 TYR 33 HD2 TYR 33 -1.367 -5.080 -5.145
257 HE1 TYR 33 HE1 TYR 33 -4.303 -5.582 -1.166
258 HE2 TYR 33 HE2 TYR 33 -0.708 -4.085 -2.900
259 HH TYR 33 HH TYR 33 -2.469 -4.837 -0.009
260 H GLY 34 H GLY 34 -4.142 -10.089 -7.285
261 1HA GLY 34 1HA GLY 34 -5.630 -11.698 -6.372
262 2HA GLY 34 2HA GLY 34 -6.613 -10.408 -5.709
263 H LYS 35 H LYS 35 -7.121 -12.732 -7.725
264 HA LYS 35 HA LYS 35 -7.319 -11.391 -10.255
265 1HB LYS 35 1HB LYS 35 -8.008 -14.212 -9.380
266 2HB LYS 35 2HB LYS 35 -8.101 -13.633 -11.032
267 1HG LYS 35 1HG LYS 35 -5.647 -12.985 -10.880
268 2HG LYS 35 2HG LYS 35 -5.591 -13.723 -9.292
269 1HD LYS 35 1HD LYS 35 -6.512 -15.871 -10.447
270 2HD LYS 35 2HD LYS 35 -6.112 -15.088 -11.964
271 1HE LYS 35 1HE LYS 35 -4.125 -15.572 -9.691
272 2HE LYS 35 2HE LYS 35 -4.277 -16.590 -11.110
273 1HZ LYS 35 1HZ LYS 35 -3.819 -14.579 -12.439
274 2HZ LYS 35 2HZ LYS 35 -3.502 -13.759 -11.063
275 3HZ LYS 35 3HZ LYS 35 -2.570 -15.031 -11.488
276 H GLY 36 H GLY 36 -8.819 -9.717 -9.129
277 1HA GLY 36 1HA GLY 36 -11.453 -10.154 -10.053
278 2HA GLY 36 2HA GLY 36 -11.401 -10.370 -8.315
279 H ALA 37 H ALA 37 -9.344 -8.493 -7.622
280 HA ALA 37 HA ALA 37 -10.871 -6.162 -7.458
281 1HB ALA 37 1HB ALA 37 -9.121 -6.865 -5.846
282 2HB ALA 37 2HB ALA 37 -7.876 -6.569 -7.084
283 3HB ALA 37 3HB ALA 37 -8.841 -5.214 -6.449
284 H GLY 38 H GLY 38 -10.247 -3.972 -8.302
285 1HA GLY 38 1HA GLY 38 -8.940 -4.132 -10.943
286 2HA GLY 38 2HA GLY 38 -10.519 -3.395 -10.763
287 H GLY 39 H GLY 39 -9.245 -1.453 -11.678
288 1HA GLY 39 1HA GLY 39 -8.243 0.383 -9.852
289 2HA GLY 39 2HA GLY 39 -6.890 -0.616 -10.342
290 H TYR 40 H TYR 40 -6.492 1.882 -11.079
291 HA TYR 40 HA TYR 40 -6.476 1.602 -13.926
292 1HB TYR 40 1HB TYR 40 -7.481 4.083 -13.974
293 2HB TYR 40 2HB TYR 40 -8.592 2.732 -13.869
294 HD1 TYR 40 HD1 TYR 40 -6.815 5.280 -11.807
295 HD2 TYR 40 HD2 TYR 40 -10.070 2.514 -12.034
296 HE1 TYR 40 HE1 TYR 40 -7.788 6.238 -9.663
297 HE2 TYR 40 HE2 TYR 40 -11.033 3.481 -9.889
298 HH TYR 40 HH TYR 40 -10.684 4.810 -8.202
299 H CYS 41 H CYS 41 -5.427 3.791 -14.875
300 HA CYS 41 HA CYS 41 -3.040 4.003 -13.229
301 1HB CYS 41 1HB CYS 41 -2.859 3.149 -15.546
302 2HB CYS 41 2HB CYS 41 -3.453 4.684 -16.148
303 H TYR 42 H TYR 42 -3.202 5.762 -11.827
304 HA TYR 42 HA TYR 42 -4.266 8.267 -12.769
305 1HB TYR 42 1HB TYR 42 -3.515 6.899 -10.325
306 2HB TYR 42 2HB TYR 42 -2.498 8.323 -10.418
307 HD1 TYR 42 HD1 TYR 42 -6.114 7.461 -10.991
308 HD2 TYR 42 HD2 TYR 42 -3.286 10.205 -9.328
309 HE1 TYR 42 HE1 TYR 42 -8.018 8.884 -10.086
310 HE2 TYR 42 HE2 TYR 42 -5.198 11.620 -8.429
311 HH TYR 42 HH TYR 42 -7.331 11.849 -8.246
312 H ALA 43 H ALA 43 -2.480 10.160 -11.809
313 HA ALA 43 HA ALA 43 -0.426 10.371 -13.626
314 1HB ALA 43 1HB ALA 43 -0.647 11.405 -10.771
315 2HB ALA 43 2HB ALA 43 0.518 11.993 -11.982
316 3HB ALA 43 3HB ALA 43 -1.228 12.220 -12.244
317 H PHE 44 H PHE 44 0.396 8.122 -13.810
318 HA PHE 44 HA PHE 44 2.150 6.804 -13.607
319 1HB PHE 44 1HB PHE 44 3.323 8.978 -11.787
320 2HB PHE 44 2HB PHE 44 4.215 7.910 -12.852
321 HD1 PHE 44 HD1 PHE 44 2.829 8.138 -15.392
322 HD2 PHE 44 HD2 PHE 44 3.673 11.140 -12.515
323 HE1 PHE 44 HE1 PHE 44 2.767 9.883 -17.194
324 HE2 PHE 44 HE2 PHE 44 3.611 12.886 -14.317
325 HZ PHE 44 HZ PHE 44 3.159 12.237 -16.637
326 H ALA 45 H ALA 45 0.010 6.519 -11.583
327 HA ALA 45 HA ALA 45 1.555 4.467 -10.340
328 1HB ALA 45 1HB ALA 45 0.200 6.596 -8.640
329 2HB ALA 45 2HB ALA 45 0.704 5.006 -8.022
330 3HB ALA 45 3HB ALA 45 1.922 6.146 -8.642
331 H CYS 46 H CYS 46 0.212 2.687 -9.704
332 HA CYS 46 HA CYS 46 -2.311 2.766 -11.089
333 1HB CYS 46 1HB CYS 46 -0.725 0.541 -9.806
334 2HB CYS 46 2HB CYS 46 -2.328 0.303 -10.472
335 H TRP 47 H TRP 47 -4.046 3.588 -9.946
336 HA TRP 47 HA TRP 47 -4.217 3.106 -7.093
337 1HB TRP 47 1HB TRP 47 -4.839 5.286 -7.935
338 2HB TRP 47 2HB TRP 47 -6.008 4.579 -9.032
339 HD1 TRP 47 HD1 TRP 47 -8.206 3.337 -7.746
340 HE1 TRP 47 HE1 TRP 47 -9.522 3.961 -5.545
341 HE3 TRP 47 HE3 TRP 47 -4.549 6.261 -5.764
342 HZ2 TRP 47 HZ2 TRP 47 -8.899 5.572 -3.272
343 HZ3 TRP 47 HZ3 TRP 47 -4.983 7.322 -3.550
344 HH2 TRP 47 HH2 TRP 47 -7.069 7.017 -2.312
345 H CYS 48 H CYS 48 -5.037 1.195 -6.351
346 HA CYS 48 HA CYS 48 -6.817 -0.290 -8.101
347 1HB CYS 48 1HB CYS 48 -5.209 -0.954 -5.665
348 2HB CYS 48 2HB CYS 48 -6.622 -1.922 -6.039
349 H THR 49 H THR 49 -8.918 -1.089 -7.180
350 HA THR 49 HA THR 49 -9.988 0.342 -4.926
351 HB THR 49 HB THR 49 -10.120 2.148 -6.552
352 HG1 THR 49 HG1 THR 49 -12.099 1.783 -5.390
353 1HG2 THR 49 1HG2 THR 49 -11.001 -0.087 -8.399
354 2HG2 THR 49 2HG2 THR 49 -11.675 1.542 -8.645
355 3HG2 THR 49 3HG2 THR 49 -9.917 1.284 -8.738
356 H HIS 50 H HIS 50 -9.675 -2.391 -5.146
357 HA HIS 50 HA HIS 50 -12.213 -2.706 -4.078
358 1HB HIS 50 1HB HIS 50 -11.946 -3.603 -6.854
359 2HB HIS 50 2HB HIS 50 -12.460 -4.887 -5.777
360 HD1 HIS 50 HD1 HIS 50 -14.447 -3.686 -3.929
361 HD2 HIS 50 HD2 HIS 50 -14.169 -2.472 -7.935
362 HE1 HIS 50 HE1 HIS 50 -16.700 -2.643 -4.518
363 H LEU 51 H LEU 51 -10.196 -2.932 -2.575
364 HA LEU 51 HA LEU 51 -8.773 -5.437 -3.060
365 1HB LEU 51 1HB LEU 51 -8.017 -3.117 -1.282
366 2HB LEU 51 2HB LEU 51 -7.020 -4.498 -1.691
367 HG LEU 51 HG LEU 51 -8.033 -2.536 -3.759
368 1HD1 LEU 51 1HD1 LEU 51 -6.654 -1.407 -2.007
369 2HD1 LEU 51 2HD1 LEU 51 -5.312 -2.497 -2.432
370 3HD1 LEU 51 3HD1 LEU 51 -5.953 -1.359 -3.642
371 1HD2 LEU 51 1HD2 LEU 51 -6.482 -5.004 -3.843
372 2HD2 LEU 51 2HD2 LEU 51 -7.274 -4.098 -5.155
373 3HD2 LEU 51 3HD2 LEU 51 -5.639 -3.640 -4.615
374 H TYR 52 H TYR 52 -7.839 -6.220 -0.671
375 HA TYR 52 HA TYR 52 -10.231 -6.486 1.009
376 1HB TYR 52 1HB TYR 52 -8.218 -8.215 1.919
377 2HB TYR 52 2HB TYR 52 -9.467 -8.683 0.782
378 HD1 TYR 52 HD1 TYR 52 -5.960 -7.513 1.075
379 HD2 TYR 52 HD2 TYR 52 -8.956 -9.127 -1.518
380 HE1 TYR 52 HE1 TYR 52 -4.188 -7.999 -0.683
381 HE2 TYR 52 HE2 TYR 52 -7.173 -9.607 -3.267
382 HH TYR 52 HH TYR 52 -3.754 -8.953 -2.583
383 H GLU 53 H GLU 53 -9.220 -7.087 3.455
384 HA GLU 53 HA GLU 53 -8.748 -4.444 4.255
385 1HB GLU 53 1HB GLU 53 -9.967 -6.541 5.419
386 2HB GLU 53 2HB GLU 53 -8.399 -6.734 6.176
387 1HG GLU 53 1HG GLU 53 -9.632 -5.313 7.654
388 2HG GLU 53 2HG GLU 53 -8.523 -4.246 6.817
389 H GLN 54 H GLN 54 -6.642 -6.962 3.238
390 HA GLN 54 HA GLN 54 -4.409 -5.792 4.637
391 1HB GLN 54 1HB GLN 54 -4.760 -8.159 2.779
392 2HB GLN 54 2HB GLN 54 -3.158 -7.520 3.085
393 1HG GLN 54 1HG GLN 54 -3.469 -7.832 5.528
394 2HG GLN 54 2HG GLN 54 -5.110 -8.389 5.270
395 1HE2 GLN 54 1HE2 GLN 54 -3.221 -11.451 5.713
396 2HE2 GLN 54 2HE2 GLN 54 -3.826 -10.099 6.612
397 H ALA 55 H ALA 55 -6.115 -4.226 2.674
398 HA ALA 55 HA ALA 55 -4.258 -3.557 0.607
399 1HB ALA 55 1HB ALA 55 -6.672 -3.132 0.401
400 2HB ALA 55 2HB ALA 55 -6.617 -2.054 1.815
401 3HB ALA 55 3HB ALA 55 -5.760 -1.606 0.321
402 H ILE 56 H ILE 56 -2.203 -3.361 1.826
403 HA ILE 56 HA ILE 56 -2.008 -0.737 3.052
404 HB ILE 56 HB ILE 56 0.180 -2.632 2.197
405 1HG1 ILE 56 1HG1 ILE 56 -1.242 -3.805 3.752
406 2HG1 ILE 56 2HG1 ILE 56 0.249 -3.352 4.554
407 1HG2 ILE 56 1HG2 ILE 56 0.109 -0.137 3.892
408 2HG2 ILE 56 2HG2 ILE 56 1.416 -1.339 4.023
409 3HG2 ILE 56 3HG2 ILE 56 1.126 -0.503 2.478
410 1HD1 ILE 56 1HD1 ILE 56 -0.962 -1.282 5.443
411 2HD1 ILE 56 2HD1 ILE 56 -2.466 -1.992 4.810
412 3HD1 ILE 56 3HD1 ILE 56 -1.549 -2.837 6.080
413 H VAL 57 H VAL 57 -0.959 1.076 2.025
414 HA VAL 57 HA VAL 57 -1.112 0.893 -0.892
415 HB VAL 57 HB VAL 57 -3.176 1.707 -0.802
416 1HG1 VAL 57 1HG1 VAL 57 -2.658 2.497 2.084
417 2HG1 VAL 57 2HG1 VAL 57 -4.223 2.663 1.252
418 3HG1 VAL 57 3HG1 VAL 57 -3.514 1.049 1.500
419 1HG2 VAL 57 1HG2 VAL 57 -1.912 3.723 -1.433
420 2HG2 VAL 57 2HG2 VAL 57 -3.399 4.134 -0.545
421 3HG2 VAL 57 3HG2 VAL 57 -1.821 4.203 0.277
422 H TRP 58 H TRP 58 0.178 2.414 -1.991
423 HA TRP 58 HA TRP 58 2.406 3.367 -0.593
424 1HB TRP 58 1HB TRP 58 2.564 2.814 -2.909
425 2HB TRP 58 2HB TRP 58 1.309 3.959 -3.342
426 HD1 TRP 58 HD1 TRP 58 5.050 3.793 -2.639
427 HE1 TRP 58 HE1 TRP 58 6.246 6.094 -3.124
428 HE3 TRP 58 HE3 TRP 58 0.778 6.484 -3.243
429 HZ2 TRP 58 HZ2 TRP 58 5.293 8.723 -3.693
430 HZ3 TRP 58 HZ3 TRP 58 0.999 8.913 -3.761
431 HH2 TRP 58 HH2 TRP 58 3.159 10.035 -3.987
432 HA PRO 59 HA PRO 59 3.707 4.757 -0.627
433 1HB PRO 59 1HB PRO 59 4.989 6.496 1.047
434 2HB PRO 59 2HB PRO 59 4.890 6.731 -0.687
435 1HG PRO 59 1HG PRO 59 3.410 8.122 1.461
436 2HG PRO 59 2HG PRO 59 3.646 8.613 -0.204
437 1HD PRO 59 1HD PRO 59 1.266 7.483 0.929
438 2HD PRO 59 2HD PRO 59 1.544 7.866 -0.758
439 H LEU 60 H LEU 60 5.227 3.718 0.999
440 HA LEU 60 HA LEU 60 3.984 2.845 3.347
441 1HB LEU 60 1HB LEU 60 6.917 3.274 2.760
442 2HB LEU 60 2HB LEU 60 6.262 2.335 4.086
443 HG LEU 60 HG LEU 60 5.596 1.645 1.228
444 1HD1 LEU 60 1HD1 LEU 60 8.052 0.772 2.774
445 2HD1 LEU 60 2HD1 LEU 60 7.479 0.037 1.257
446 3HD1 LEU 60 3HD1 LEU 60 8.009 1.736 1.279
447 1HD2 LEU 60 1HD2 LEU 60 5.671 0.039 3.797
448 2HD2 LEU 60 2HD2 LEU 60 4.226 0.586 2.914
449 3HD2 LEU 60 3HD2 LEU 60 5.312 -0.618 2.182
450 HA PRO 61 HA PRO 61 3.384 6.099 5.612
451 1HB PRO 61 1HB PRO 61 3.622 5.314 8.219
452 2HB PRO 61 2HB PRO 61 2.305 4.805 7.182
453 1HG PRO 61 1HG PRO 61 4.658 3.260 8.079
454 2HG PRO 61 2HG PRO 61 3.148 2.671 7.415
455 1HD PRO 61 1HD PRO 61 5.661 2.868 6.047
456 2HD PRO 61 2HD PRO 61 4.125 2.391 5.353
457 H ASN 62 H ASN 62 6.477 4.873 6.693
458 HA ASN 62 HA ASN 62 7.226 7.656 7.075
459 1HB ASN 62 1HB ASN 62 8.585 6.954 9.078
460 2HB ASN 62 2HB ASN 62 6.867 6.710 9.326
461 1HD2 ASN 62 1HD2 ASN 62 8.758 3.706 10.477
462 2HD2 ASN 62 2HD2 ASN 62 8.775 5.404 10.815
463 H LYS 63 H LYS 63 7.594 5.736 4.823
464 HA LYS 63 HA LYS 63 10.364 6.126 4.441
465 1HB LYS 63 1HB LYS 63 10.934 3.678 4.173
466 2HB LYS 63 2HB LYS 63 10.770 4.255 5.819
467 1HG LYS 63 1HG LYS 63 8.356 3.425 5.789
468 2HG LYS 63 2HG LYS 63 8.679 2.706 4.223
469 1HD LYS 63 1HD LYS 63 10.355 1.217 5.144
470 2HD LYS 63 2HD LYS 63 10.393 2.087 6.666
471 1HE LYS 63 1HE LYS 63 7.811 0.813 5.691
472 2HE LYS 63 2HE LYS 63 9.020 -0.155 6.514
473 1HZ LYS 63 1HZ LYS 63 7.838 2.307 7.603
474 2HZ LYS 63 2HZ LYS 63 7.393 0.791 8.020
475 3HZ LYS 63 3HZ LYS 63 8.894 1.329 8.373
476 H ARG 64 H ARG 64 8.528 7.246 2.969
477 HA ARG 64 HA ARG 64 7.358 5.660 1.024
478 1HB ARG 64 1HB ARG 64 6.942 7.786 -0.161
479 2HB ARG 64 2HB ARG 64 6.669 8.009 1.555
480 1HG ARG 64 1HG ARG 64 9.052 8.891 1.751
481 2HG ARG 64 2HG ARG 64 9.176 8.807 0.005
482 1HD ARG 64 1HD ARG 64 7.215 10.359 -0.205
483 2HD ARG 64 2HD ARG 64 7.102 10.448 1.542
484 HE ARG 64 HE ARG 64 9.779 11.110 0.793
485 1HH1 ARG 64 2HH1 ARG 64 6.523 12.419 0.524
486 2HH1 ARG 64 1HH1 ARG 64 7.052 14.067 0.488
487 1HH2 ARG 64 1HH2 ARG 64 10.476 13.286 0.761
488 2HH2 ARG 64 2HH2 ARG 64 9.315 14.565 0.631
489 H CYS 65 H CYS 65 7.910 5.735 -1.397
490 HA CYS 65 HA CYS 65 10.545 5.129 -1.970
491 1HB CYS 65 1HB CYS 65 8.610 4.542 -3.377
492 2HB CYS 65 2HB CYS 65 8.422 6.226 -3.827
493 H SER 66 H SER 66 12.347 6.429 -2.125
494 HA SER 66 HA SER 66 12.078 9.188 -1.682
495 1HB SER 66 1HB SER 66 14.607 9.155 -2.155
496 2HB SER 66 2HB SER 66 14.045 8.162 -0.824
497 HG SER 66 HG SER 66 15.568 7.066 -2.277
498 1HN NH2 67 1H SER 66 10.819 9.997 -3.377
499 2HN NH2 67 2H SER 66 11.408 10.184 -4.995
No H/Q in entry = 499
Start of MODEL 14
1 1H LYS 1 1H LYS 1 -11.163 1.290 0.798
2 2H LYS 1 2H LYS 1 -11.310 0.777 2.365
3 3H LYS 1 3H LYS 1 -10.259 2.000 1.990
4 HA LYS 1 HA LYS 1 -8.820 0.360 2.169
5 1HB LYS 1 1HB LYS 1 -9.322 -1.982 1.554
6 2HB LYS 1 2HB LYS 1 -10.407 -1.347 2.775
7 1HG LYS 1 1HG LYS 1 -12.217 -1.126 1.237
8 2HG LYS 1 2HG LYS 1 -11.163 -1.188 -0.160
9 1HD LYS 1 1HD LYS 1 -10.601 -3.590 0.435
10 2HD LYS 1 2HD LYS 1 -11.777 -3.506 1.731
11 1HE LYS 1 1HE LYS 1 -13.593 -3.060 0.120
12 2HE LYS 1 2HE LYS 1 -12.447 -2.970 -1.202
13 1HZ LYS 1 1HZ LYS 1 -12.887 -5.355 0.458
14 2HZ LYS 1 2HZ LYS 1 -13.510 -5.125 -1.034
15 3HZ LYS 1 3HZ LYS 1 -11.895 -5.258 -0.836
16 H GLU 2 H GLU 2 -9.175 2.382 0.198
17 HA GLU 2 HA GLU 2 -8.161 0.953 -2.137
18 1HB GLU 2 1HB GLU 2 -9.573 3.647 -2.228
19 2HB GLU 2 2HB GLU 2 -9.176 2.604 -3.579
20 1HG GLU 2 1HG GLU 2 -11.320 1.842 -3.363
21 2HG GLU 2 2HG GLU 2 -10.682 0.882 -2.044
22 H GLY 3 H GLY 3 -6.336 1.960 -3.271
23 1HA GLY 3 1HA GLY 3 -5.802 4.630 -3.213
24 2HA GLY 3 2HA GLY 3 -4.848 3.993 -1.890
25 H TYR 4 H TYR 4 -3.036 4.825 -3.355
26 HA TYR 4 HA TYR 4 -2.519 3.549 -5.808
27 1HB TYR 4 1HB TYR 4 -0.764 4.893 -3.659
28 2HB TYR 4 2HB TYR 4 -0.203 4.556 -5.285
29 HD1 TYR 4 HD1 TYR 4 -1.894 5.522 -7.190
30 HD2 TYR 4 HD2 TYR 4 -1.453 7.060 -3.222
31 HE1 TYR 4 HE1 TYR 4 -2.784 7.776 -7.957
32 HE2 TYR 4 HE2 TYR 4 -2.345 9.309 -4.003
33 HH TYR 4 HH TYR 4 -3.085 9.867 -7.421
34 H LEU 5 H LEU 5 -2.116 1.397 -6.080
35 HA LEU 5 HA LEU 5 -1.070 -0.354 -4.249
36 1HB LEU 5 1HB LEU 5 -1.778 -1.444 -6.077
37 2HB LEU 5 2HB LEU 5 -1.290 -0.172 -7.178
38 HG LEU 5 HG LEU 5 1.141 -1.013 -6.648
39 1HD1 LEU 5 1HD1 LEU 5 0.177 -2.587 -4.851
40 2HD1 LEU 5 2HD1 LEU 5 -0.296 -3.625 -6.218
41 3HD1 LEU 5 3HD1 LEU 5 1.418 -3.222 -5.959
42 1HD2 LEU 5 1HD2 LEU 5 -0.804 -2.495 -8.436
43 2HD2 LEU 5 2HD2 LEU 5 0.173 -1.067 -8.854
44 3HD2 LEU 5 3HD2 LEU 5 0.970 -2.625 -8.527
45 H VAL 6 H VAL 6 0.982 -0.913 -3.506
46 HA VAL 6 HA VAL 6 2.985 1.155 -4.098
47 HB VAL 6 HB VAL 6 2.033 1.380 -1.891
48 1HG1 VAL 6 1HG1 VAL 6 2.730 -1.550 -1.605
49 2HG1 VAL 6 2HG1 VAL 6 2.458 -0.492 -0.201
50 3HG1 VAL 6 3HG1 VAL 6 1.153 -0.756 -1.383
51 1HG2 VAL 6 1HG2 VAL 6 4.577 1.600 -2.383
52 2HG2 VAL 6 2HG2 VAL 6 4.022 1.583 -0.692
53 3HG2 VAL 6 3HG2 VAL 6 4.727 0.115 -1.412
54 H ASP 7 H ASP 7 5.178 0.506 -4.343
55 HA ASP 7 HA ASP 7 5.586 -2.214 -5.003
56 1HB ASP 7 1HB ASP 7 7.146 -1.029 -6.184
57 2HB ASP 7 2HB ASP 7 7.088 0.323 -5.071
58 H LYS 8 H LYS 8 6.764 -3.809 -3.693
59 HA LYS 8 HA LYS 8 6.118 -3.174 -0.925
60 1HB LYS 8 1HB LYS 8 5.537 -5.337 -2.673
61 2HB LYS 8 2HB LYS 8 6.574 -5.973 -1.413
62 1HG LYS 8 1HG LYS 8 5.081 -4.995 0.330
63 2HG LYS 8 2HG LYS 8 4.055 -4.315 -0.918
64 1HD LYS 8 1HD LYS 8 2.944 -6.326 -0.335
65 2HD LYS 8 2HD LYS 8 3.801 -6.751 -1.804
66 1HE LYS 8 1HE LYS 8 5.626 -7.783 -0.494
67 2HE LYS 8 2HE LYS 8 4.889 -7.258 1.007
68 1HZ LYS 8 1HZ LYS 8 3.643 -9.094 -0.920
69 2HZ LYS 8 2HZ LYS 8 4.354 -9.537 0.481
70 3HZ LYS 8 3HZ LYS 8 2.996 -8.631 0.506
71 H ASN 9 H ASN 9 8.803 -3.003 -2.807
72 HA ASN 9 HA ASN 9 10.523 -4.243 -0.837
73 1HB ASN 9 1HB ASN 9 10.719 -3.554 -3.703
74 2HB ASN 9 2HB ASN 9 12.127 -3.006 -2.815
75 1HD2 ASN 9 1HD2 ASN 9 13.554 -6.141 -3.188
76 2HD2 ASN 9 2HD2 ASN 9 13.593 -4.438 -3.501
77 H THR 10 H THR 10 10.595 -1.190 -2.848
78 HA THR 10 HA THR 10 12.032 0.089 -0.644
79 HB THR 10 HB THR 10 12.272 1.781 -2.761
80 HG1 THR 10 HG1 THR 10 10.931 0.512 -4.153
81 1HG2 THR 10 1HG2 THR 10 13.718 -0.914 -2.583
82 2HG2 THR 10 2HG2 THR 10 14.288 0.514 -3.479
83 3HG2 THR 10 3HG2 THR 10 14.196 0.556 -1.702
84 H GLY 11 H GLY 11 8.891 -0.066 -2.071
85 1HA GLY 11 1HA GLY 11 7.041 1.194 -1.799
86 2HA GLY 11 2HA GLY 11 7.864 2.101 -0.545
87 H CYS 12 H CYS 12 8.973 1.674 -3.951
88 HA CYS 12 HA CYS 12 9.067 4.520 -4.263
89 1HB CYS 12 1HB CYS 12 9.878 2.165 -5.935
90 2HB CYS 12 2HB CYS 12 9.738 3.750 -6.671
91 H LYS 13 H LYS 13 7.870 2.123 -6.685
92 HA LYS 13 HA LYS 13 5.181 2.809 -6.593
93 1HB LYS 13 1HB LYS 13 6.776 4.908 -7.668
94 2HB LYS 13 2HB LYS 13 5.912 4.183 -9.008
95 1HG LYS 13 1HG LYS 13 3.853 4.268 -7.281
96 2HG LYS 13 2HG LYS 13 4.809 5.541 -6.550
97 1HD LYS 13 1HD LYS 13 3.890 5.436 -9.461
98 2HD LYS 13 2HD LYS 13 3.237 6.481 -8.214
99 1HE LYS 13 1HE LYS 13 5.511 7.544 -7.954
100 2HE LYS 13 2HE LYS 13 6.112 6.536 -9.255
101 1HZ LYS 13 1HZ LYS 13 4.150 7.536 -10.534
102 2HZ LYS 13 2HZ LYS 13 4.169 8.702 -9.390
103 3HZ LYS 13 3HZ LYS 13 5.490 8.444 -10.317
104 H TYR 14 H TYR 14 4.082 2.092 -8.816
105 HA TYR 14 HA TYR 14 5.962 0.456 -10.368
106 1HB TYR 14 1HB TYR 14 2.923 0.756 -10.074
107 2HB TYR 14 2HB TYR 14 3.584 -0.062 -11.475
108 HD1 TYR 14 HD1 TYR 14 3.420 -0.179 -7.756
109 HD2 TYR 14 HD2 TYR 14 4.285 -2.329 -11.353
110 HE1 TYR 14 HE1 TYR 14 3.541 -2.350 -6.438
111 HE2 TYR 14 HE2 TYR 14 4.403 -4.492 -10.023
112 HH TYR 14 HH TYR 14 4.440 -5.382 -8.037
113 H GLU 15 H GLU 15 3.580 3.172 -10.551
114 HA GLU 15 HA GLU 15 3.627 4.979 -11.753
115 1HB GLU 15 1HB GLU 15 6.112 4.916 -11.208
116 2HB GLU 15 2HB GLU 15 6.382 4.160 -12.766
117 1HG GLU 15 1HG GLU 15 5.766 6.093 -13.972
118 2HG GLU 15 2HG GLU 15 4.788 6.727 -12.664
119 H CYS 16 H CYS 16 1.963 4.625 -13.220
120 HA CYS 16 HA CYS 16 2.220 2.669 -15.244
121 1HB CYS 16 1HB CYS 16 0.090 3.268 -14.132
122 2HB CYS 16 2HB CYS 16 0.133 4.835 -14.916
123 H LEU 17 H LEU 17 3.034 2.931 -17.327
124 HA LEU 17 HA LEU 17 3.950 5.392 -18.307
125 1HB LEU 17 1HB LEU 17 4.097 4.229 -20.445
126 2HB LEU 17 2HB LEU 17 4.801 3.311 -19.128
127 HG LEU 17 HG LEU 17 2.096 2.465 -19.365
128 1HD1 LEU 17 1HD1 LEU 17 2.078 3.434 -21.611
129 2HD1 LEU 17 2HD1 LEU 17 3.530 2.495 -22.035
130 3HD1 LEU 17 3HD1 LEU 17 2.002 1.657 -21.669
131 1HD2 LEU 17 1HD2 LEU 17 3.949 1.116 -18.528
132 2HD2 LEU 17 2HD2 LEU 17 3.120 0.297 -19.874
133 3HD2 LEU 17 3HD2 LEU 17 4.685 1.098 -20.148
134 H LYS 18 H LYS 18 2.553 7.115 -18.303
135 HA LYS 18 HA LYS 18 0.976 8.433 -19.113
136 1HB LYS 18 1HB LYS 18 1.586 7.450 -21.306
137 2HB LYS 18 2HB LYS 18 0.373 6.205 -21.082
138 1HG LYS 18 1HG LYS 18 -0.833 8.804 -20.589
139 2HG LYS 18 2HG LYS 18 0.004 8.846 -22.128
140 1HD LYS 18 1HD LYS 18 -1.819 6.518 -21.424
141 2HD LYS 18 2HD LYS 18 -2.484 8.007 -22.067
142 1HE LYS 18 1HE LYS 18 -1.361 7.769 -24.148
143 2HE LYS 18 2HE LYS 18 -0.159 6.677 -23.490
144 1HZ LYS 18 1HZ LYS 18 -2.925 5.826 -23.398
145 2HZ LYS 18 2HZ LYS 18 -2.181 5.813 -24.851
146 3HZ LYS 18 3HZ LYS 18 -1.572 4.938 -23.615
147 H LEU 19 H LEU 19 -0.705 8.914 -17.813
148 HA LEU 19 HA LEU 19 -2.239 6.965 -16.523
149 1HB LEU 19 1HB LEU 19 -3.560 8.785 -15.735
150 2HB LEU 19 2HB LEU 19 -1.869 9.242 -15.705
151 HG LEU 19 HG LEU 19 -2.897 10.105 -18.208
152 1HD1 LEU 19 1HD1 LEU 19 -5.148 9.887 -17.285
153 2HD1 LEU 19 2HD1 LEU 19 -4.689 10.906 -15.899
154 3HD1 LEU 19 3HD1 LEU 19 -4.719 11.596 -17.539
155 1HD2 LEU 19 1HD2 LEU 19 -1.055 11.110 -16.904
156 2HD2 LEU 19 2HD2 LEU 19 -2.274 12.303 -17.411
157 3HD2 LEU 19 3HD2 LEU 19 -2.245 11.721 -15.729
158 H GLY 20 H GLY 20 -4.571 6.509 -16.793
159 1HA GLY 20 1HA GLY 20 -6.567 6.805 -18.022
160 2HA GLY 20 2HA GLY 20 -5.632 7.179 -19.457
161 H ASP 21 H ASP 21 -3.668 5.042 -19.272
162 HA ASP 21 HA ASP 21 -5.254 3.164 -20.639
163 1HB ASP 21 1HB ASP 21 -2.316 3.143 -19.803
164 2HB ASP 21 2HB ASP 21 -3.031 1.928 -20.845
165 H ASN 22 H ASN 22 -6.682 2.315 -18.902
166 HA ASN 22 HA ASN 22 -5.376 1.484 -16.493
167 1HB ASN 22 1HB ASN 22 -7.742 1.110 -15.691
168 2HB ASN 22 2HB ASN 22 -7.487 2.732 -16.303
169 1HD2 ASN 22 1HD2 ASN 22 -10.535 0.710 -17.684
170 2HD2 ASN 22 2HD2 ASN 22 -9.762 0.626 -16.136
171 H ASP 23 H ASP 23 -4.544 -0.150 -18.619
172 HA ASP 23 HA ASP 23 -6.066 -2.583 -18.157
173 1HB ASP 23 1HB ASP 23 -5.389 -1.809 -20.528
174 2HB ASP 23 2HB ASP 23 -3.734 -2.166 -20.078
175 H TYR 24 H TYR 24 -2.738 -1.123 -18.147
176 HA TYR 24 HA TYR 24 -1.419 -3.467 -17.348
177 1HB TYR 24 1HB TYR 24 -0.762 -0.485 -16.919
178 2HB TYR 24 2HB TYR 24 0.420 -1.778 -16.944
179 HD1 TYR 24 HD1 TYR 24 0.237 -3.290 -19.219
180 HD2 TYR 24 HD2 TYR 24 -0.895 0.817 -18.827
181 HE1 TYR 24 HE1 TYR 24 0.534 -2.962 -21.723
182 HE2 TYR 24 HE2 TYR 24 -0.593 1.132 -21.332
183 HH TYR 24 HH TYR 24 0.412 -1.595 -23.383
184 H CYS 25 H CYS 25 -2.751 -0.655 -15.518
185 HA CYS 25 HA CYS 25 -1.644 -1.433 -13.064
186 1HB CYS 25 1HB CYS 25 -3.970 0.354 -13.777
187 2HB CYS 25 2HB CYS 25 -3.447 0.091 -12.126
188 H LEU 26 H LEU 26 -4.818 -1.983 -14.715
189 HA LEU 26 HA LEU 26 -6.027 -3.429 -12.669
190 1HB LEU 26 1HB LEU 26 -6.658 -2.573 -15.224
191 2HB LEU 26 2HB LEU 26 -6.676 -4.319 -15.372
192 HG LEU 26 HG LEU 26 -8.138 -3.070 -13.075
193 1HD1 LEU 26 1HD1 LEU 26 -9.185 -3.127 -15.918
194 2HD1 LEU 26 2HD1 LEU 26 -10.147 -2.770 -14.465
195 3HD1 LEU 26 3HD1 LEU 26 -8.824 -1.681 -14.946
196 1HD2 LEU 26 1HD2 LEU 26 -8.437 -5.555 -14.761
197 2HD2 LEU 26 2HD2 LEU 26 -8.129 -5.417 -13.013
198 3HD2 LEU 26 3HD2 LEU 26 -9.724 -4.981 -13.673
199 H ARG 27 H ARG 27 -3.731 -4.386 -15.264
200 HA ARG 27 HA ARG 27 -4.126 -7.114 -14.898
201 1HB ARG 27 1HB ARG 27 -2.062 -5.376 -16.252
202 2HB ARG 27 2HB ARG 27 -1.645 -7.059 -15.990
203 1HG ARG 27 1HG ARG 27 -3.833 -7.712 -17.111
204 2HG ARG 27 2HG ARG 27 -4.102 -6.019 -17.479
205 1HD ARG 27 1HD ARG 27 -1.608 -6.221 -18.499
206 2HD ARG 27 2HD ARG 27 -2.053 -7.911 -18.628
207 HE ARG 27 HE ARG 27 -4.192 -6.264 -19.640
208 1HH1 ARG 27 2HH1 ARG 27 -1.010 -7.512 -20.474
209 2HH1 ARG 27 1HH1 ARG 27 -1.269 -7.388 -22.182
210 1HH2 ARG 27 1HH2 ARG 27 -4.441 -5.891 -21.891
211 2HH2 ARG 27 2HH2 ARG 27 -3.291 -6.573 -22.992
212 H GLU 28 H GLU 28 -1.890 -4.700 -13.457
213 HA GLU 28 HA GLU 28 -0.119 -6.618 -12.432
214 1HB GLU 28 1HB GLU 28 0.158 -4.024 -12.903
215 2HB GLU 28 2HB GLU 28 -0.409 -3.848 -11.253
216 1HG GLU 28 1HG GLU 28 1.914 -3.993 -10.940
217 2HG GLU 28 2HG GLU 28 1.421 -5.653 -10.672
218 H CYS 29 H CYS 29 -2.775 -4.628 -10.967
219 HA CYS 29 HA CYS 29 -2.385 -5.624 -8.381
220 1HB CYS 29 1HB CYS 29 -4.274 -3.885 -9.764
221 2HB CYS 29 2HB CYS 29 -5.055 -4.864 -8.538
222 H LYS 30 H LYS 30 -3.897 -6.867 -11.301
223 HA LYS 30 HA LYS 30 -5.661 -8.713 -10.224
224 1HB LYS 30 1HB LYS 30 -4.839 -7.990 -12.731
225 2HB LYS 30 2HB LYS 30 -4.107 -9.575 -12.586
226 1HG LYS 30 1HG LYS 30 -6.262 -10.605 -12.058
227 2HG LYS 30 2HG LYS 30 -7.037 -9.039 -11.923
228 1HD LYS 30 1HD LYS 30 -5.666 -9.803 -14.516
229 2HD LYS 30 2HD LYS 30 -7.260 -10.442 -14.164
230 1HE LYS 30 1HE LYS 30 -8.223 -8.220 -14.014
231 2HE LYS 30 2HE LYS 30 -6.643 -7.461 -13.992
232 1HZ LYS 30 1HZ LYS 30 -7.696 -9.015 -16.253
233 2HZ LYS 30 2HZ LYS 30 -7.710 -7.385 -16.160
234 3HZ LYS 30 3HZ LYS 30 -6.289 -8.186 -16.225
235 H GLN 31 H GLN 31 -2.113 -9.028 -10.948
236 HA GLN 31 HA GLN 31 -2.292 -11.643 -9.681
237 1HB GLN 31 1HB GLN 31 -0.133 -10.619 -11.574
238 2HB GLN 31 2HB GLN 31 -0.341 -12.269 -11.020
239 1HG GLN 31 1HG GLN 31 -2.824 -11.861 -12.060
240 2HG GLN 31 2HG GLN 31 -1.926 -10.730 -13.054
241 1HE2 GLN 31 1HE2 GLN 31 0.147 -13.180 -14.638
242 2HE2 GLN 31 2HE2 GLN 31 0.141 -11.572 -13.994
243 H GLN 32 H GLN 32 -2.097 -9.189 -8.083
244 HA GLN 32 HA GLN 32 -0.085 -10.465 -6.504
245 1HB GLN 32 1HB GLN 32 1.102 -8.436 -5.861
246 2HB GLN 32 2HB GLN 32 1.167 -8.597 -7.604
247 1HG GLN 32 1HG GLN 32 -0.918 -7.069 -7.688
248 2HG GLN 32 2HG GLN 32 -0.640 -6.751 -5.987
249 1HE2 GLN 32 1HE2 GLN 32 2.690 -5.305 -6.626
250 2HE2 GLN 32 2HE2 GLN 32 1.859 -6.382 -5.552
251 H TYR 33 H TYR 33 -2.624 -7.938 -6.867
252 HA TYR 33 HA TYR 33 -3.194 -8.188 -4.000
253 1HB TYR 33 1HB TYR 33 -3.027 -6.077 -6.018
254 2HB TYR 33 2HB TYR 33 -4.686 -6.145 -5.457
255 HD1 TYR 33 HD1 TYR 33 -4.445 -6.766 -2.611
256 HD2 TYR 33 HD2 TYR 33 -2.028 -4.213 -5.049
257 HE1 TYR 33 HE1 TYR 33 -3.802 -5.407 -0.562
258 HE2 TYR 33 HE2 TYR 33 -1.393 -2.863 -2.991
259 HH TYR 33 HH TYR 33 -1.653 -2.590 -0.870
260 H GLY 34 H GLY 34 -4.083 -9.797 -6.691
261 1HA GLY 34 1HA GLY 34 -5.629 -11.523 -6.076
262 2HA GLY 34 2HA GLY 34 -6.682 -10.306 -5.381
263 H LYS 35 H LYS 35 -7.014 -12.379 -7.650
264 HA LYS 35 HA LYS 35 -7.115 -10.767 -10.027
265 1HB LYS 35 1HB LYS 35 -7.868 -13.653 -9.481
266 2HB LYS 35 2HB LYS 35 -7.913 -12.897 -11.062
267 1HG LYS 35 1HG LYS 35 -5.441 -12.280 -10.720
268 2HG LYS 35 2HG LYS 35 -5.461 -13.293 -9.290
269 1HD LYS 35 1HD LYS 35 -5.744 -15.280 -10.523
270 2HD LYS 35 2HD LYS 35 -6.485 -14.459 -11.882
271 1HE LYS 35 1HE LYS 35 -4.325 -13.485 -12.547
272 2HE LYS 35 2HE LYS 35 -3.551 -14.114 -11.106
273 1HZ LYS 35 1HZ LYS 35 -4.786 -15.774 -13.193
274 2HZ LYS 35 2HZ LYS 35 -3.184 -15.502 -13.038
275 3HZ LYS 35 3HZ LYS 35 -3.989 -16.326 -11.880
276 H GLY 36 H GLY 36 -8.635 -9.220 -8.688
277 1HA GLY 36 1HA GLY 36 -11.099 -9.529 -10.122
278 2HA GLY 36 2HA GLY 36 -11.317 -9.639 -8.387
279 H ALA 37 H ALA 37 -9.090 -7.620 -10.460
280 HA ALA 37 HA ALA 37 -9.466 -5.549 -8.457
281 1HB ALA 37 1HB ALA 37 -7.191 -6.319 -9.007
282 2HB ALA 37 2HB ALA 37 -7.446 -5.880 -10.712
283 3HB ALA 37 3HB ALA 37 -7.408 -4.613 -9.463
284 H GLY 38 H GLY 38 -9.936 -3.327 -9.032
285 1HA GLY 38 1HA GLY 38 -11.000 -2.994 -11.775
286 2HA GLY 38 2HA GLY 38 -11.690 -2.230 -10.357
287 H GLY 39 H GLY 39 -8.375 -2.355 -9.798
288 1HA GLY 39 1HA GLY 39 -7.988 0.339 -9.668
289 2HA GLY 39 2HA GLY 39 -6.711 -0.839 -9.906
290 H TYR 40 H TYR 40 -6.615 1.806 -10.994
291 HA TYR 40 HA TYR 40 -6.434 1.157 -13.807
292 1HB TYR 40 1HB TYR 40 -7.714 3.518 -14.065
293 2HB TYR 40 2HB TYR 40 -8.647 2.044 -13.896
294 HD1 TYR 40 HD1 TYR 40 -7.097 4.726 -11.778
295 HD2 TYR 40 HD2 TYR 40 -10.313 1.947 -12.271
296 HE1 TYR 40 HE1 TYR 40 -8.247 5.681 -9.723
297 HE2 TYR 40 HE2 TYR 40 -11.452 2.912 -10.213
298 HH TYR 40 HH TYR 40 -11.365 4.367 -8.627
299 H CYS 41 H CYS 41 -5.604 3.288 -15.010
300 HA CYS 41 HA CYS 41 -3.231 3.882 -13.476
301 1HB CYS 41 1HB CYS 41 -3.969 4.101 -16.384
302 2HB CYS 41 2HB CYS 41 -2.545 4.906 -15.753
303 H TYR 42 H TYR 42 -3.725 5.572 -12.019
304 HA TYR 42 HA TYR 42 -4.928 7.989 -13.028
305 1HB TYR 42 1HB TYR 42 -4.241 6.667 -10.539
306 2HB TYR 42 2HB TYR 42 -3.347 8.173 -10.555
307 HD1 TYR 42 HD1 TYR 42 -6.824 7.053 -11.458
308 HD2 TYR 42 HD2 TYR 42 -4.371 9.929 -9.453
309 HE1 TYR 42 HE1 TYR 42 -8.901 8.301 -10.690
310 HE2 TYR 42 HE2 TYR 42 -6.456 11.167 -8.692
311 HH TYR 42 HH TYR 42 -8.609 11.228 -8.689
312 H ALA 43 H ALA 43 -3.330 9.966 -11.834
313 HA ALA 43 HA ALA 43 -1.574 10.523 -13.881
314 1HB ALA 43 1HB ALA 43 -1.631 11.514 -11.002
315 2HB ALA 43 2HB ALA 43 -0.735 12.289 -12.331
316 3HB ALA 43 3HB ALA 43 -2.513 12.210 -12.381
317 H PHE 44 H PHE 44 -0.264 8.671 -14.332
318 HA PHE 44 HA PHE 44 1.506 7.360 -14.145
319 1HB PHE 44 1HB PHE 44 2.583 9.636 -12.385
320 2HB PHE 44 2HB PHE 44 3.538 8.573 -13.398
321 HD1 PHE 44 HD1 PHE 44 2.908 8.652 -15.972
322 HD2 PHE 44 HD2 PHE 44 2.062 11.739 -13.187
323 HE1 PHE 44 HE1 PHE 44 2.757 10.308 -17.852
324 HE2 PHE 44 HE2 PHE 44 1.910 13.395 -15.066
325 HZ PHE 44 HZ PHE 44 2.261 12.660 -17.377
326 H ALA 45 H ALA 45 -0.481 6.749 -12.202
327 HA ALA 45 HA ALA 45 1.179 5.245 -10.437
328 1HB ALA 45 1HB ALA 45 1.119 7.381 -9.208
329 2HB ALA 45 2HB ALA 45 -0.659 7.377 -9.274
330 3HB ALA 45 3HB ALA 45 0.200 6.127 -8.343
331 H CYS 46 H CYS 46 0.016 3.460 -9.528
332 HA CYS 46 HA CYS 46 -2.420 2.981 -11.030
333 1HB CYS 46 1HB CYS 46 -0.538 1.148 -9.540
334 2HB CYS 46 2HB CYS 46 -2.064 0.612 -10.214
335 H TRP 47 H TRP 47 -4.123 3.951 -9.886
336 HA TRP 47 HA TRP 47 -4.309 3.578 -7.031
337 1HB TRP 47 1HB TRP 47 -5.038 5.666 -8.013
338 2HB TRP 47 2HB TRP 47 -6.170 4.829 -9.059
339 HD1 TRP 47 HD1 TRP 47 -8.271 3.509 -7.653
340 HE1 TRP 47 HE1 TRP 47 -9.629 4.226 -5.507
341 HE3 TRP 47 HE3 TRP 47 -4.844 6.862 -5.960
342 HZ2 TRP 47 HZ2 TRP 47 -9.130 6.073 -3.389
343 HZ3 TRP 47 HZ3 TRP 47 -5.356 8.080 -3.846
344 HH2 TRP 47 HH2 TRP 47 -7.413 7.730 -2.572
345 H CYS 48 H CYS 48 -4.932 1.620 -6.226
346 HA CYS 48 HA CYS 48 -6.652 -0.013 -7.937
347 1HB CYS 48 1HB CYS 48 -4.666 -0.741 -5.788
348 2HB CYS 48 2HB CYS 48 -5.869 -1.876 -6.370
349 H THR 49 H THR 49 -8.516 -1.109 -6.863
350 HA THR 49 HA THR 49 -9.483 0.259 -4.503
351 HB THR 49 HB THR 49 -9.726 2.032 -6.183
352 HG1 THR 49 HG1 THR 49 -11.957 2.200 -5.776
353 1HG2 THR 49 1HG2 THR 49 -11.223 -0.089 -7.811
354 2HG2 THR 49 2HG2 THR 49 -11.145 1.645 -8.208
355 3HG2 THR 49 3HG2 THR 49 -9.670 0.651 -8.266
356 H HIS 50 H HIS 50 -8.986 -2.520 -5.259
357 HA HIS 50 HA HIS 50 -11.586 -3.351 -4.371
358 1HB HIS 50 1HB HIS 50 -11.452 -3.472 -6.979
359 2HB HIS 50 2HB HIS 50 -10.442 -4.876 -6.698
360 HD1 HIS 50 HD1 HIS 50 -11.773 -6.501 -4.626
361 HD2 HIS 50 HD2 HIS 50 -13.998 -4.310 -7.427
362 HE1 HIS 50 HE1 HIS 50 -14.079 -7.590 -4.716
363 H LEU 51 H LEU 51 -8.797 -3.018 -3.343
364 HA LEU 51 HA LEU 51 -7.681 -5.598 -3.061
365 1HB LEU 51 1HB LEU 51 -7.349 -3.183 -1.280
366 2HB LEU 51 2HB LEU 51 -6.290 -4.576 -1.374
367 HG LEU 51 HG LEU 51 -5.080 -3.176 -2.672
368 1HD1 LEU 51 1HD1 LEU 51 -5.959 -5.076 -4.117
369 2HD1 LEU 51 2HD1 LEU 51 -7.052 -3.877 -4.850
370 3HD1 LEU 51 3HD1 LEU 51 -5.289 -3.664 -4.968
371 1HD2 LEU 51 1HD2 LEU 51 -7.003 -1.406 -2.296
372 2HD2 LEU 51 2HD2 LEU 51 -5.744 -1.164 -3.531
373 3HD2 LEU 51 3HD2 LEU 51 -7.353 -1.763 -4.005
374 H TYR 52 H TYR 52 -7.321 -6.185 -0.438
375 HA TYR 52 HA TYR 52 -10.043 -6.373 0.648
376 1HB TYR 52 1HB TYR 52 -8.246 -7.936 2.161
377 2HB TYR 52 2HB TYR 52 -9.243 -8.555 0.860
378 HD1 TYR 52 HD1 TYR 52 -5.866 -7.312 1.731
379 HD2 TYR 52 HD2 TYR 52 -8.287 -9.182 -1.260
380 HE1 TYR 52 HE1 TYR 52 -3.778 -7.934 0.419
381 HE2 TYR 52 HE2 TYR 52 -6.191 -9.797 -2.563
382 HH TYR 52 HH TYR 52 -4.005 -9.922 -2.495
383 H GLU 53 H GLU 53 -9.525 -6.796 3.320
384 HA GLU 53 HA GLU 53 -9.346 -4.246 4.252
385 1HB GLU 53 1HB GLU 53 -10.306 -6.251 5.448
386 2HB GLU 53 2HB GLU 53 -8.675 -6.785 5.803
387 1HG GLU 53 1HG GLU 53 -8.224 -4.768 7.116
388 2HG GLU 53 2HG GLU 53 -9.740 -4.042 6.615
389 H GLN 54 H GLN 54 -6.786 -6.507 3.405
390 HA GLN 54 HA GLN 54 -4.830 -4.941 4.829
391 1HB GLN 54 1HB GLN 54 -5.022 -7.654 3.980
392 2HB GLN 54 2HB GLN 54 -3.697 -6.961 3.067
393 1HG GLN 54 1HG GLN 54 -2.732 -6.065 5.231
394 2HG GLN 54 2HG GLN 54 -4.015 -6.878 6.104
395 1HE2 GLN 54 1HE2 GLN 54 -0.919 -8.976 4.336
396 2HE2 GLN 54 2HE2 GLN 54 -1.321 -7.357 3.872
397 H ALA 55 H ALA 55 -6.443 -3.774 2.556
398 HA ALA 55 HA ALA 55 -4.713 -3.171 0.467
399 1HB ALA 55 1HB ALA 55 -7.130 -2.511 0.716
400 2HB ALA 55 2HB ALA 55 -6.624 -1.296 1.914
401 3HB ALA 55 3HB ALA 55 -6.063 -1.172 0.229
402 H ILE 56 H ILE 56 -2.512 -3.008 1.098
403 HA ILE 56 HA ILE 56 -1.903 -0.649 2.694
404 HB ILE 56 HB ILE 56 -0.051 -2.591 1.311
405 1HG1 ILE 56 1HG1 ILE 56 -1.359 -3.817 2.921
406 2HG1 ILE 56 2HG1 ILE 56 0.261 -3.591 3.550
407 1HG2 ILE 56 1HG2 ILE 56 0.388 -0.347 3.284
408 2HG2 ILE 56 2HG2 ILE 56 1.568 -1.657 3.035
409 3HG2 ILE 56 3HG2 ILE 56 1.129 -0.586 1.683
410 1HD1 ILE 56 1HD1 ILE 56 -0.623 -1.535 4.803
411 2HD1 ILE 56 2HD1 ILE 56 -2.256 -2.064 4.332
412 3HD1 ILE 56 3HD1 ILE 56 -1.247 -3.105 5.363
413 H VAL 57 H VAL 57 -1.328 1.312 1.828
414 HA VAL 57 HA VAL 57 -1.206 1.410 -1.103
415 HB VAL 57 HB VAL 57 -3.242 2.304 -1.009
416 1HG1 VAL 57 1HG1 VAL 57 -2.787 2.906 1.933
417 2HG1 VAL 57 2HG1 VAL 57 -4.312 3.183 1.059
418 3HG1 VAL 57 3HG1 VAL 57 -3.682 1.530 1.247
419 1HG2 VAL 57 1HG2 VAL 57 -1.842 4.274 -1.477
420 2HG2 VAL 57 2HG2 VAL 57 -3.334 4.719 -0.614
421 3HG2 VAL 57 3HG2 VAL 57 -1.785 4.647 0.262
422 H TRP 58 H TRP 58 0.118 3.110 -1.975
423 HA TRP 58 HA TRP 58 2.494 3.326 -0.570
424 1HB TRP 58 1HB TRP 58 2.399 3.399 -2.974
425 2HB TRP 58 2HB TRP 58 1.445 4.868 -2.945
426 HD1 TRP 58 HD1 TRP 58 5.061 3.677 -2.641
427 HE1 TRP 58 HE1 TRP 58 6.759 5.697 -2.626
428 HE3 TRP 58 HE3 TRP 58 1.539 7.316 -2.198
429 HZ2 TRP 58 HZ2 TRP 58 6.445 8.527 -2.436
430 HZ3 TRP 58 HZ3 TRP 58 2.318 9.682 -2.105
431 HH2 TRP 58 HH2 TRP 58 4.678 10.312 -2.216
432 HA PRO 59 HA PRO 59 4.015 4.346 -0.265
433 1HB PRO 59 1HB PRO 59 5.663 5.390 1.648
434 2HB PRO 59 2HB PRO 59 5.589 6.004 0.008
435 1HG PRO 59 1HG PRO 59 4.472 7.180 2.480
436 2HG PRO 59 2HG PRO 59 4.782 7.954 0.938
437 1HD PRO 59 1HD PRO 59 2.234 7.120 1.958
438 2HD PRO 59 2HD PRO 59 2.561 7.788 0.372
439 H LEU 60 H LEU 60 5.483 2.883 1.260
440 HA LEU 60 HA LEU 60 4.024 1.812 3.409
441 1HB LEU 60 1HB LEU 60 6.976 1.940 2.797
442 2HB LEU 60 2HB LEU 60 6.311 1.077 4.169
443 HG LEU 60 HG LEU 60 6.305 -0.692 2.801
444 1HD1 LEU 60 1HD1 LEU 60 3.910 -0.233 3.020
445 2HD1 LEU 60 2HD1 LEU 60 3.952 0.731 1.524
446 3HD1 LEU 60 3HD1 LEU 60 4.286 -1.016 1.466
447 1HD2 LEU 60 1HD2 LEU 60 7.689 0.571 1.158
448 2HD2 LEU 60 2HD2 LEU 60 6.619 -0.645 0.420
449 3HD2 LEU 60 3HD2 LEU 60 6.188 1.080 0.347
450 HA PRO 61 HA PRO 61 3.697 4.758 6.110
451 1HB PRO 61 1HB PRO 61 3.750 3.591 8.581
452 2HB PRO 61 2HB PRO 61 2.425 3.386 7.452
453 1HG PRO 61 1HG PRO 61 4.561 1.473 8.169
454 2HG PRO 61 2HG PRO 61 3.021 1.159 7.394
455 1HD PRO 61 1HD PRO 61 5.592 1.262 6.125
456 2HD PRO 61 2HD PRO 61 4.040 1.063 5.335
457 H ASN 62 H ASN 62 6.549 3.024 7.202
458 HA ASN 62 HA ASN 62 7.767 5.611 7.565
459 1HB ASN 62 1HB ASN 62 8.765 4.783 9.790
460 2HB ASN 62 2HB ASN 62 7.060 5.187 9.839
461 1HD2 ASN 62 1HD2 ASN 62 6.735 2.127 11.536
462 2HD2 ASN 62 2HD2 ASN 62 6.909 3.844 11.684
463 H LYS 63 H LYS 63 8.154 3.735 5.461
464 HA LYS 63 HA LYS 63 10.956 3.770 5.625
465 1HB LYS 63 1HB LYS 63 11.265 1.272 5.187
466 2HB LYS 63 2HB LYS 63 10.967 1.771 6.840
467 1HG LYS 63 1HG LYS 63 8.474 1.301 6.419
468 2HG LYS 63 2HG LYS 63 8.945 0.578 4.893
469 1HD LYS 63 1HD LYS 63 9.183 -1.357 6.075
470 2HD LYS 63 2HD LYS 63 10.691 -0.671 6.645
471 1HE LYS 63 1HE LYS 63 7.989 -0.344 8.038
472 2HE LYS 63 2HE LYS 63 9.233 -1.480 8.520
473 1HZ LYS 63 1HZ LYS 63 10.713 0.504 8.717
474 2HZ LYS 63 2HZ LYS 63 9.389 1.445 8.558
475 3HZ LYS 63 3HZ LYS 63 9.513 0.417 9.820
476 H ARG 64 H ARG 64 10.536 5.145 3.754
477 HA ARG 64 HA ARG 64 8.916 3.808 1.738
478 1HB ARG 64 1HB ARG 64 7.893 6.131 1.332
479 2HB ARG 64 2HB ARG 64 7.443 5.366 2.843
480 1HG ARG 64 1HG ARG 64 9.915 7.048 2.945
481 2HG ARG 64 2HG ARG 64 8.425 7.923 2.653
482 1HD ARG 64 1HD ARG 64 8.876 5.974 4.967
483 2HD ARG 64 2HD ARG 64 8.959 7.720 5.100
484 HE ARG 64 HE ARG 64 6.504 6.105 4.676
485 1HH1 ARG 64 2HH1 ARG 64 7.776 9.322 4.245
486 2HH1 ARG 64 1HH1 ARG 64 6.382 10.119 4.892
487 1HH2 ARG 64 1HH2 ARG 64 4.743 7.151 5.827
488 2HH2 ARG 64 2HH2 ARG 64 4.548 8.854 5.577
489 H CYS 65 H CYS 65 9.299 4.509 -0.505
490 HA CYS 65 HA CYS 65 11.771 6.040 -0.811
491 1HB CYS 65 1HB CYS 65 12.161 4.125 -1.985
492 2HB CYS 65 2HB CYS 65 10.474 3.879 -2.389
493 H SER 66 H SER 66 11.733 7.969 -2.066
494 HA SER 66 HA SER 66 9.264 9.283 -2.081
495 1HB SER 66 1HB SER 66 10.518 11.150 -3.100
496 2HB SER 66 2HB SER 66 11.408 10.462 -1.757
497 HG SER 66 HG SER 66 12.789 10.823 -3.597
498 1HN NH2 67 1H SER 66 11.497 8.427 -4.751
499 2HN NH2 67 2H SER 66 10.295 8.269 -5.988
No H/Q in entry = 499
Start of MODEL 15
1 1H LYS 1 1H LYS 1 -11.197 1.145 -0.256
2 2H LYS 1 2H LYS 1 -10.670 -0.424 -0.309
3 3H LYS 1 3H LYS 1 -11.459 0.139 1.034
4 HA LYS 1 HA LYS 1 -9.739 1.634 1.526
5 1HB LYS 1 1HB LYS 1 -9.768 -0.898 2.191
6 2HB LYS 1 2HB LYS 1 -8.405 -1.028 1.097
7 1HG LYS 1 1HG LYS 1 -7.139 0.644 2.348
8 2HG LYS 1 2HG LYS 1 -8.535 1.050 3.327
9 1HD LYS 1 1HD LYS 1 -8.543 -1.261 4.283
10 2HD LYS 1 2HD LYS 1 -7.156 -1.677 3.298
11 1HE LYS 1 1HE LYS 1 -5.944 0.323 4.428
12 2HE LYS 1 2HE LYS 1 -7.276 0.351 5.568
13 1HZ LYS 1 1HZ LYS 1 -6.794 -1.947 6.091
14 2HZ LYS 1 2HZ LYS 1 -5.549 -1.967 5.034
15 3HZ LYS 1 3HZ LYS 1 -5.483 -1.011 6.356
16 H GLU 2 H GLU 2 -9.708 2.965 -0.583
17 HA GLU 2 HA GLU 2 -8.169 1.661 -2.650
18 1HB GLU 2 1HB GLU 2 -9.786 4.225 -2.902
19 2HB GLU 2 2HB GLU 2 -9.271 3.157 -4.193
20 1HG GLU 2 1HG GLU 2 -11.394 2.305 -3.978
21 2HG GLU 2 2HG GLU 2 -10.670 1.365 -2.688
22 H GLY 3 H GLY 3 -6.410 2.744 -3.790
23 1HA GLY 3 1HA GLY 3 -5.954 5.475 -3.620
24 2HA GLY 3 2HA GLY 3 -4.918 4.728 -2.419
25 H TYR 4 H TYR 4 -3.107 5.544 -3.792
26 HA TYR 4 HA TYR 4 -2.741 4.200 -6.324
27 1HB TYR 4 1HB TYR 4 -1.179 6.124 -4.503
28 2HB TYR 4 2HB TYR 4 -0.477 5.518 -5.990
29 HD1 TYR 4 HD1 TYR 4 -1.991 5.866 -8.159
30 HD2 TYR 4 HD2 TYR 4 -2.326 8.147 -4.555
31 HE1 TYR 4 HE1 TYR 4 -3.110 7.751 -9.447
32 HE2 TYR 4 HE2 TYR 4 -3.445 10.024 -5.855
33 HH TYR 4 HH TYR 4 -3.945 9.737 -9.364
34 H LEU 5 H LEU 5 -1.922 2.150 -6.464
35 HA LEU 5 HA LEU 5 -1.514 0.801 -4.068
36 1HB LEU 5 1HB LEU 5 -1.553 -1.071 -5.324
37 2HB LEU 5 2HB LEU 5 -2.277 0.048 -6.461
38 HG LEU 5 HG LEU 5 0.570 0.082 -6.837
39 1HD1 LEU 5 1HD1 LEU 5 -0.665 -2.686 -6.845
40 2HD1 LEU 5 2HD1 LEU 5 0.909 -2.258 -7.557
41 3HD1 LEU 5 3HD1 LEU 5 0.655 -2.102 -5.802
42 1HD2 LEU 5 1HD2 LEU 5 -1.366 0.612 -8.428
43 2HD2 LEU 5 2HD2 LEU 5 0.030 -0.273 -9.088
44 3HD2 LEU 5 3HD2 LEU 5 -1.469 -1.146 -8.690
45 H VAL 6 H VAL 6 0.527 -0.667 -3.691
46 HA VAL 6 HA VAL 6 2.777 1.219 -3.795
47 HB VAL 6 HB VAL 6 1.631 1.395 -1.668
48 1HG1 VAL 6 1HG1 VAL 6 2.005 -1.611 -1.530
49 2HG1 VAL 6 2HG1 VAL 6 1.612 -0.602 -0.117
50 3HG1 VAL 6 3HG1 VAL 6 0.481 -0.691 -1.489
51 1HG2 VAL 6 1HG2 VAL 6 4.203 1.379 -1.896
52 2HG2 VAL 6 2HG2 VAL 6 3.504 1.216 -0.267
53 3HG2 VAL 6 3HG2 VAL 6 4.123 -0.220 -1.118
54 H ASP 7 H ASP 7 4.863 0.300 -3.949
55 HA ASP 7 HA ASP 7 4.875 -2.434 -4.790
56 1HB ASP 7 1HB ASP 7 6.276 -0.831 -5.991
57 2HB ASP 7 2HB ASP 7 7.040 -0.304 -4.504
58 H LYS 8 H LYS 8 5.711 -4.180 -3.514
59 HA LYS 8 HA LYS 8 5.383 -3.632 -0.753
60 1HB LYS 8 1HB LYS 8 5.652 -6.036 -2.489
61 2HB LYS 8 2HB LYS 8 6.069 -6.234 -0.799
62 1HG LYS 8 1HG LYS 8 3.830 -5.104 -0.227
63 2HG LYS 8 2HG LYS 8 3.423 -5.219 -1.928
64 1HD LYS 8 1HD LYS 8 4.145 -7.790 -1.560
65 2HD LYS 8 2HD LYS 8 3.739 -7.425 0.105
66 1HE LYS 8 1HE LYS 8 1.599 -7.943 -0.525
67 2HE LYS 8 2HE LYS 8 1.571 -6.319 -1.183
68 1HZ LYS 8 1HZ LYS 8 2.392 -7.271 -3.273
69 2HZ LYS 8 2HZ LYS 8 2.254 -8.772 -2.645
70 3HZ LYS 8 3HZ LYS 8 0.924 -7.849 -2.850
71 H ASN 9 H ASN 9 8.096 -3.694 -2.918
72 HA ASN 9 HA ASN 9 9.922 -4.529 -0.875
73 1HB ASN 9 1HB ASN 9 9.950 -4.160 -3.807
74 2HB ASN 9 2HB ASN 9 11.404 -3.522 -3.065
75 1HD2 ASN 9 1HD2 ASN 9 12.703 -6.751 -3.401
76 2HD2 ASN 9 2HD2 ASN 9 12.648 -5.131 -4.012
77 H THR 10 H THR 10 9.885 -1.722 -3.220
78 HA THR 10 HA THR 10 11.512 -0.250 -1.294
79 HB THR 10 HB THR 10 11.640 1.234 -3.521
80 HG1 THR 10 HG1 THR 10 9.979 0.046 -4.634
81 1HG2 THR 10 1HG2 THR 10 12.822 -1.592 -3.433
82 2HG2 THR 10 2HG2 THR 10 13.411 -0.245 -4.436
83 3HG2 THR 10 3HG2 THR 10 13.554 -0.164 -2.663
84 H GLY 11 H GLY 11 8.238 -0.562 -2.160
85 1HA GLY 11 1HA GLY 11 6.444 0.798 -2.120
86 2HA GLY 11 2HA GLY 11 7.211 1.524 -0.723
87 H CYS 12 H CYS 12 8.271 1.509 -4.190
88 HA CYS 12 HA CYS 12 8.345 4.419 -4.030
89 1HB CYS 12 1HB CYS 12 10.131 2.483 -5.074
90 2HB CYS 12 2HB CYS 12 9.497 3.373 -6.443
91 H LYS 13 H LYS 13 6.365 1.848 -5.021
92 HA LYS 13 HA LYS 13 4.372 1.925 -5.975
93 1HB LYS 13 1HB LYS 13 3.260 3.828 -5.667
94 2HB LYS 13 2HB LYS 13 4.777 4.565 -5.193
95 1HG LYS 13 1HG LYS 13 5.195 4.981 -7.720
96 2HG LYS 13 2HG LYS 13 3.516 4.542 -7.967
97 1HD LYS 13 1HD LYS 13 4.406 6.732 -6.034
98 2HD LYS 13 2HD LYS 13 3.955 7.045 -7.699
99 1HE LYS 13 1HE LYS 13 1.705 5.949 -7.227
100 2HE LYS 13 2HE LYS 13 2.168 5.825 -5.542
101 1HZ LYS 13 1HZ LYS 13 1.999 8.332 -7.067
102 2HZ LYS 13 2HZ LYS 13 0.908 7.811 -5.970
103 3HZ LYS 13 3HZ LYS 13 2.417 8.212 -5.493
104 H TYR 14 H TYR 14 3.294 2.185 -8.187
105 HA TYR 14 HA TYR 14 5.413 1.926 -10.211
106 1HB TYR 14 1HB TYR 14 2.533 0.840 -10.018
107 2HB TYR 14 2HB TYR 14 3.670 0.427 -11.286
108 HD1 TYR 14 HD1 TYR 14 5.808 -0.838 -10.632
109 HD2 TYR 14 HD2 TYR 14 2.459 -0.397 -8.006
110 HE1 TYR 14 HE1 TYR 14 6.626 -2.807 -9.245
111 HE2 TYR 14 HE2 TYR 14 3.288 -2.366 -6.628
112 HH TYR 14 HH TYR 14 6.428 -3.715 -7.121
113 H GLU 15 H GLU 15 5.273 3.077 -12.134
114 HA GLU 15 HA GLU 15 3.158 5.032 -12.250
115 1HB GLU 15 1HB GLU 15 4.483 6.147 -13.904
116 2HB GLU 15 2HB GLU 15 5.608 5.592 -12.680
117 1HG GLU 15 1HG GLU 15 5.963 3.490 -14.131
118 2HG GLU 15 2HG GLU 15 5.058 4.308 -15.390
119 H CYS 16 H CYS 16 2.243 5.433 -14.630
120 HA CYS 16 HA CYS 16 2.446 3.056 -16.274
121 1HB CYS 16 1HB CYS 16 -0.017 3.240 -16.827
122 2HB CYS 16 2HB CYS 16 0.407 2.510 -15.291
123 H LEU 17 H LEU 17 1.506 3.696 -18.603
124 HA LEU 17 HA LEU 17 3.426 5.735 -19.107
125 1HB LEU 17 1HB LEU 17 1.748 4.051 -20.972
126 2HB LEU 17 2HB LEU 17 3.060 5.102 -21.467
127 HG LEU 17 HG LEU 17 3.413 2.772 -19.563
128 1HD1 LEU 17 1HD1 LEU 17 2.619 1.927 -21.703
129 2HD1 LEU 17 2HD1 LEU 17 3.874 2.856 -22.558
130 3HD1 LEU 17 3HD1 LEU 17 4.337 1.528 -21.467
131 1HD2 LEU 17 1HD2 LEU 17 5.361 4.562 -21.029
132 2HD2 LEU 17 2HD2 LEU 17 5.167 4.349 -19.272
133 3HD2 LEU 17 3HD2 LEU 17 5.819 3.021 -20.264
134 H LYS 18 H LYS 18 -0.029 5.288 -20.161
135 HA LYS 18 HA LYS 18 -0.266 8.209 -19.992
136 1HB LYS 18 1HB LYS 18 -1.745 6.599 -22.064
137 2HB LYS 18 2HB LYS 18 -1.455 8.326 -22.009
138 1HG LYS 18 1HG LYS 18 0.991 7.929 -22.355
139 2HG LYS 18 2HG LYS 18 0.706 6.201 -22.406
140 1HD LYS 18 1HD LYS 18 -0.456 8.252 -24.351
141 2HD LYS 18 2HD LYS 18 0.867 7.156 -24.697
142 1HE LYS 18 1HE LYS 18 -2.043 6.429 -24.152
143 2HE LYS 18 2HE LYS 18 -1.138 6.166 -25.629
144 1HZ LYS 18 1HZ LYS 18 0.342 4.725 -24.247
145 2HZ LYS 18 2HZ LYS 18 -0.773 4.813 -23.057
146 3HZ LYS 18 3HZ LYS 18 -1.164 4.148 -24.496
147 H LEU 19 H LEU 19 -2.045 8.967 -18.885
148 HA LEU 19 HA LEU 19 -3.542 7.267 -17.286
149 1HB LEU 19 1HB LEU 19 -5.005 9.233 -16.974
150 2HB LEU 19 2HB LEU 19 -3.301 9.548 -16.715
151 HG LEU 19 HG LEU 19 -3.866 10.151 -19.445
152 1HD1 LEU 19 1HD1 LEU 19 -6.226 10.293 -18.832
153 2HD1 LEU 19 2HD1 LEU 19 -5.829 11.437 -17.526
154 3HD1 LEU 19 3HD1 LEU 19 -5.566 11.899 -19.224
155 1HD2 LEU 19 1HD2 LEU 19 -2.095 11.134 -18.051
156 2HD2 LEU 19 2HD2 LEU 19 -3.110 12.375 -18.822
157 3HD2 LEU 19 3HD2 LEU 19 -3.329 11.992 -17.099
158 H GLY 20 H GLY 20 -5.369 6.054 -17.580
159 1HA GLY 20 1HA GLY 20 -7.408 5.651 -18.802
160 2HA GLY 20 2HA GLY 20 -6.608 6.202 -20.260
161 H ASP 21 H ASP 21 -4.012 4.792 -19.349
162 HA ASP 21 HA ASP 21 -4.589 2.434 -20.776
163 1HB ASP 21 1HB ASP 21 -2.113 3.357 -19.245
164 2HB ASP 21 2HB ASP 21 -2.152 1.902 -20.221
165 H ASN 22 H ASN 22 -6.264 1.553 -19.182
166 HA ASN 22 HA ASN 22 -5.273 1.136 -16.517
167 1HB ASN 22 1HB ASN 22 -7.677 0.474 -16.057
168 2HB ASN 22 2HB ASN 22 -7.524 2.083 -16.734
169 1HD2 ASN 22 1HD2 ASN 22 -9.537 -0.900 -18.635
170 2HD2 ASN 22 2HD2 ASN 22 -8.522 -1.202 -17.265
171 H ASP 23 H ASP 23 -3.967 -0.503 -18.442
172 HA ASP 23 HA ASP 23 -5.416 -3.019 -18.356
173 1HB ASP 23 1HB ASP 23 -4.812 -2.488 -20.601
174 2HB ASP 23 2HB ASP 23 -3.235 -1.884 -20.132
175 H TYR 24 H TYR 24 -2.023 -1.676 -18.189
176 HA TYR 24 HA TYR 24 -0.897 -3.907 -16.933
177 1HB TYR 24 1HB TYR 24 -0.273 -0.888 -16.871
178 2HB TYR 24 2HB TYR 24 0.872 -2.124 -16.385
179 HD1 TYR 24 HD1 TYR 24 1.474 -3.926 -18.198
180 HD2 TYR 24 HD2 TYR 24 -0.295 -0.132 -19.084
181 HE1 TYR 24 HE1 TYR 24 2.300 -4.093 -20.596
182 HE2 TYR 24 HE2 TYR 24 0.538 -0.312 -21.480
183 HH TYR 24 HH TYR 24 1.547 -1.532 -22.944
184 H CYS 25 H CYS 25 -2.571 -0.995 -15.670
185 HA CYS 25 HA CYS 25 -1.607 -1.249 -13.057
186 1HB CYS 25 1HB CYS 25 -4.045 0.143 -14.175
187 2HB CYS 25 2HB CYS 25 -3.559 0.246 -12.495
188 H LEU 26 H LEU 26 -4.534 -2.434 -14.808
189 HA LEU 26 HA LEU 26 -5.777 -3.591 -12.577
190 1HB LEU 26 1HB LEU 26 -6.273 -3.264 -15.321
191 2HB LEU 26 2HB LEU 26 -6.289 -4.995 -15.050
192 HG LEU 26 HG LEU 26 -7.823 -3.403 -13.079
193 1HD1 LEU 26 1HD1 LEU 26 -8.721 -3.585 -15.968
194 2HD1 LEU 26 2HD1 LEU 26 -9.743 -3.088 -14.597
195 3HD1 LEU 26 3HD1 LEU 26 -8.333 -2.105 -15.059
196 1HD2 LEU 26 1HD2 LEU 26 -8.303 -5.944 -14.649
197 2HD2 LEU 26 2HD2 LEU 26 -7.897 -5.780 -12.925
198 3HD2 LEU 26 3HD2 LEU 26 -9.482 -5.235 -13.521
199 H ARG 27 H ARG 27 -3.672 -5.044 -15.162
200 HA ARG 27 HA ARG 27 -3.840 -7.587 -14.218
201 1HB ARG 27 1HB ARG 27 -2.141 -6.079 -16.079
202 2HB ARG 27 2HB ARG 27 -1.212 -7.327 -15.271
203 1HG ARG 27 1HG ARG 27 -3.352 -8.838 -15.850
204 2HG ARG 27 2HG ARG 27 -3.611 -7.620 -17.084
205 1HD ARG 27 1HD ARG 27 -1.142 -9.377 -16.723
206 2HD ARG 27 2HD ARG 27 -2.266 -9.395 -18.068
207 HE ARG 27 HE ARG 27 -0.034 -7.585 -17.726
208 1HH1 ARG 27 2HH1 ARG 27 -3.171 -7.978 -19.263
209 2HH1 ARG 27 1HH1 ARG 27 -3.051 -6.512 -20.180
210 1HH2 ARG 27 1HH2 ARG 27 0.241 -5.801 -19.134
211 2HH2 ARG 27 2HH2 ARG 27 -1.038 -5.345 -20.209
212 H GLU 28 H GLU 28 -1.660 -4.894 -13.265
213 HA GLU 28 HA GLU 28 0.166 -6.448 -11.869
214 1HB GLU 28 1HB GLU 28 0.429 -4.033 -12.646
215 2HB GLU 28 2HB GLU 28 -0.579 -3.548 -11.297
216 1HG GLU 28 1HG GLU 28 1.024 -4.526 -9.691
217 2HG GLU 28 2HG GLU 28 2.000 -5.159 -11.001
218 H CYS 29 H CYS 29 -2.582 -4.397 -10.637
219 HA CYS 29 HA CYS 29 -2.213 -5.137 -7.985
220 1HB CYS 29 1HB CYS 29 -4.168 -3.640 -9.553
221 2HB CYS 29 2HB CYS 29 -4.906 -4.503 -8.219
222 H LYS 30 H LYS 30 -3.799 -6.668 -10.757
223 HA LYS 30 HA LYS 30 -5.447 -8.437 -9.322
224 1HB LYS 30 1HB LYS 30 -5.469 -7.769 -11.822
225 2HB LYS 30 2HB LYS 30 -4.244 -9.002 -12.032
226 1HG LYS 30 1HG LYS 30 -5.730 -10.731 -11.133
227 2HG LYS 30 2HG LYS 30 -6.922 -9.533 -10.668
228 1HD LYS 30 1HD LYS 30 -7.214 -8.908 -13.088
229 2HD LYS 30 2HD LYS 30 -6.056 -10.145 -13.534
230 1HE LYS 30 1HE LYS 30 -7.520 -11.900 -12.536
231 2HE LYS 30 2HE LYS 30 -8.667 -10.674 -12.035
232 1HZ LYS 30 1HZ LYS 30 -8.961 -10.093 -14.351
233 2HZ LYS 30 2HZ LYS 30 -7.897 -11.242 -14.814
234 3HZ LYS 30 3HZ LYS 30 -9.305 -11.671 -14.107
235 H GLN 31 H GLN 31 -2.124 -8.804 -10.743
236 HA GLN 31 HA GLN 31 -1.911 -11.229 -9.147
237 1HB GLN 31 1HB GLN 31 -0.279 -10.359 -11.573
238 2HB GLN 31 2HB GLN 31 -0.098 -11.881 -10.723
239 1HG GLN 31 1HG GLN 31 -2.531 -12.396 -11.244
240 2HG GLN 31 2HG GLN 31 -2.596 -10.932 -12.204
241 1HE2 GLN 31 1HE2 GLN 31 -0.496 -12.092 -14.841
242 2HE2 GLN 31 2HE2 GLN 31 -0.958 -10.696 -13.926
243 H GLN 32 H GLN 32 -1.657 -8.904 -7.669
244 HA GLN 32 HA GLN 32 0.831 -9.582 -6.562
245 1HB GLN 32 1HB GLN 32 2.168 -7.781 -7.010
246 2HB GLN 32 2HB GLN 32 1.158 -7.635 -8.434
247 1HG GLN 32 1HG GLN 32 1.041 -5.461 -7.558
248 2HG GLN 32 2HG GLN 32 -0.409 -6.181 -6.888
249 1HE2 GLN 32 1HE2 GLN 32 0.911 -4.575 -3.981
250 2HE2 GLN 32 2HE2 GLN 32 -0.042 -4.323 -5.404
251 H TYR 33 H TYR 33 -2.032 -7.436 -6.727
252 HA TYR 33 HA TYR 33 -2.134 -7.612 -3.790
253 1HB TYR 33 1HB TYR 33 -2.275 -5.425 -5.697
254 2HB TYR 33 2HB TYR 33 -3.895 -5.630 -5.059
255 HD1 TYR 33 HD1 TYR 33 -3.012 -6.584 -2.248
256 HD2 TYR 33 HD2 TYR 33 -1.812 -3.296 -4.707
257 HE1 TYR 33 HE1 TYR 33 -2.358 -5.265 -0.176
258 HE2 TYR 33 HE2 TYR 33 -1.163 -1.986 -2.626
259 HH TYR 33 HH TYR 33 -0.920 -3.473 0.435
260 H GLY 34 H GLY 34 -3.068 -9.594 -5.905
261 1HA GLY 34 1HA GLY 34 -4.577 -11.193 -5.105
262 2HA GLY 34 2HA GLY 34 -5.584 -9.928 -4.431
263 H LYS 35 H LYS 35 -6.081 -12.233 -6.452
264 HA LYS 35 HA LYS 35 -6.257 -10.895 -8.986
265 1HB LYS 35 1HB LYS 35 -6.883 -13.716 -8.077
266 2HB LYS 35 2HB LYS 35 -7.093 -13.163 -9.725
267 1HG LYS 35 1HG LYS 35 -4.691 -12.552 -9.860
268 2HG LYS 35 2HG LYS 35 -4.460 -13.006 -8.183
269 1HD LYS 35 1HD LYS 35 -5.620 -15.042 -10.099
270 2HD LYS 35 2HD LYS 35 -3.898 -14.723 -10.146
271 1HE LYS 35 1HE LYS 35 -5.278 -15.302 -7.501
272 2HE LYS 35 2HE LYS 35 -4.797 -16.617 -8.555
273 1HZ LYS 35 1HZ LYS 35 -2.995 -14.527 -7.543
274 2HZ LYS 35 2HZ LYS 35 -3.081 -16.058 -6.983
275 3HZ LYS 35 3HZ LYS 35 -2.555 -15.773 -8.502
276 H GLY 36 H GLY 36 -7.791 -9.225 -7.823
277 1HA GLY 36 1HA GLY 36 -10.185 -9.701 -9.302
278 2HA GLY 36 2HA GLY 36 -10.493 -9.673 -7.577
279 H ALA 37 H ALA 37 -8.707 -7.794 -10.136
280 HA ALA 37 HA ALA 37 -8.856 -5.485 -8.344
281 1HB ALA 37 1HB ALA 37 -7.066 -6.127 -10.721
282 2HB ALA 37 2HB ALA 37 -6.991 -4.630 -9.763
283 3HB ALA 37 3HB ALA 37 -6.611 -6.195 -9.002
284 H GLY 38 H GLY 38 -9.709 -3.475 -9.070
285 1HA GLY 38 1HA GLY 38 -10.710 -3.461 -11.855
286 2HA GLY 38 2HA GLY 38 -11.520 -2.653 -10.528
287 H GLY 39 H GLY 39 -8.231 -2.438 -9.852
288 1HA GLY 39 1HA GLY 39 -8.099 0.291 -9.956
289 2HA GLY 39 2HA GLY 39 -6.714 -0.782 -10.000
290 H TYR 40 H TYR 40 -6.544 1.646 -11.336
291 HA TYR 40 HA TYR 40 -6.424 0.852 -14.107
292 1HB TYR 40 1HB TYR 40 -7.868 2.953 -14.645
293 2HB TYR 40 2HB TYR 40 -8.753 1.601 -13.968
294 HD1 TYR 40 HD1 TYR 40 -7.317 4.931 -13.211
295 HD2 TYR 40 HD2 TYR 40 -9.824 1.754 -11.821
296 HE1 TYR 40 HE1 TYR 40 -8.187 6.424 -11.346
297 HE2 TYR 40 HE2 TYR 40 -10.685 3.258 -9.961
298 HH TYR 40 HH TYR 40 -9.420 6.555 -9.576
299 H CYS 41 H CYS 41 -5.917 3.157 -15.386
300 HA CYS 41 HA CYS 41 -3.552 4.050 -13.932
301 1HB CYS 41 1HB CYS 41 -3.143 2.966 -16.072
302 2HB CYS 41 2HB CYS 41 -4.205 4.099 -16.886
303 H TYR 42 H TYR 42 -4.062 5.913 -12.767
304 HA TYR 42 HA TYR 42 -5.647 7.985 -13.990
305 1HB TYR 42 1HB TYR 42 -4.567 7.167 -11.419
306 2HB TYR 42 2HB TYR 42 -3.907 8.755 -11.753
307 HD1 TYR 42 HD1 TYR 42 -6.280 9.904 -13.280
308 HD2 TYR 42 HD2 TYR 42 -6.046 7.670 -9.638
309 HE1 TYR 42 HE1 TYR 42 -8.446 10.967 -12.480
310 HE2 TYR 42 HE2 TYR 42 -8.213 8.741 -8.851
311 HH TYR 42 HH TYR 42 -9.913 11.094 -10.907
312 H ALA 43 H ALA 43 -4.177 10.289 -13.229
313 HA ALA 43 HA ALA 43 -2.367 10.734 -15.246
314 1HB ALA 43 1HB ALA 43 -2.509 11.905 -12.437
315 2HB ALA 43 2HB ALA 43 -1.590 12.607 -13.791
316 3HB ALA 43 3HB ALA 43 -3.365 12.500 -13.881
317 H PHE 44 H PHE 44 -1.152 8.677 -15.411
318 HA PHE 44 HA PHE 44 0.815 7.685 -15.294
319 1HB PHE 44 1HB PHE 44 1.719 10.225 -13.827
320 2HB PHE 44 2HB PHE 44 2.710 9.209 -14.856
321 HD1 PHE 44 HD1 PHE 44 1.737 8.968 -17.348
322 HD2 PHE 44 HD2 PHE 44 0.969 12.210 -14.720
323 HE1 PHE 44 HE1 PHE 44 1.203 10.436 -19.313
324 HE2 PHE 44 HE2 PHE 44 0.435 13.677 -16.685
325 HZ PHE 44 HZ PHE 44 0.559 12.772 -18.958
326 H ALA 45 H ALA 45 -1.022 7.282 -13.001
327 HA ALA 45 HA ALA 45 0.956 5.736 -11.639
328 1HB ALA 45 1HB ALA 45 -0.610 7.879 -10.150
329 2HB ALA 45 2HB ALA 45 0.218 6.519 -9.353
330 3HB ALA 45 3HB ALA 45 1.159 7.718 -10.272
331 H CYS 46 H CYS 46 -0.076 4.011 -10.335
332 HA CYS 46 HA CYS 46 -2.551 3.342 -11.693
333 1HB CYS 46 1HB CYS 46 -0.510 1.688 -10.206
334 2HB CYS 46 2HB CYS 46 -2.044 1.039 -10.749
335 H TRP 47 H TRP 47 -4.451 3.714 -10.609
336 HA TRP 47 HA TRP 47 -4.329 3.787 -7.679
337 1HB TRP 47 1HB TRP 47 -5.091 5.847 -8.575
338 2HB TRP 47 2HB TRP 47 -6.196 5.054 -9.680
339 HD1 TRP 47 HD1 TRP 47 -8.243 3.547 -8.228
340 HE1 TRP 47 HE1 TRP 47 -9.714 4.308 -6.173
341 HE3 TRP 47 HE3 TRP 47 -5.124 7.260 -6.700
342 HZ2 TRP 47 HZ2 TRP 47 -9.414 6.332 -4.184
343 HZ3 TRP 47 HZ3 TRP 47 -5.787 8.582 -4.693
344 HH2 TRP 47 HH2 TRP 47 -7.850 8.168 -3.448
345 H CYS 48 H CYS 48 -5.327 2.154 -6.540
346 HA CYS 48 HA CYS 48 -6.808 0.237 -8.190
347 1HB CYS 48 1HB CYS 48 -4.807 -0.222 -5.982
348 2HB CYS 48 2HB CYS 48 -5.939 -1.459 -6.488
349 H THR 49 H THR 49 -8.561 -0.963 -6.966
350 HA THR 49 HA THR 49 -9.695 0.550 -4.792
351 HB THR 49 HB THR 49 -10.039 2.193 -6.545
352 HG1 THR 49 HG1 THR 49 -12.297 2.144 -6.323
353 1HG2 THR 49 1HG2 THR 49 -10.957 -0.213 -8.193
354 2HG2 THR 49 2HG2 THR 49 -11.384 1.462 -8.622
355 3HG2 THR 49 3HG2 THR 49 -9.678 0.955 -8.603
356 H HIS 50 H HIS 50 -9.004 -2.242 -5.350
357 HA HIS 50 HA HIS 50 -11.532 -3.267 -4.525
358 1HB HIS 50 1HB HIS 50 -11.474 -3.276 -7.132
359 2HB HIS 50 2HB HIS 50 -10.360 -4.616 -6.948
360 HD1 HIS 50 HD1 HIS 50 -11.592 -6.288 -4.747
361 HD2 HIS 50 HD2 HIS 50 -13.882 -4.408 -7.716
362 HE1 HIS 50 HE1 HIS 50 -13.796 -7.570 -4.869
363 H LEU 51 H LEU 51 -8.794 -2.827 -3.478
364 HA LEU 51 HA LEU 51 -7.635 -5.417 -3.226
365 1HB LEU 51 1HB LEU 51 -7.267 -3.011 -1.444
366 2HB LEU 51 2HB LEU 51 -6.200 -4.392 -1.606
367 HG LEU 51 HG LEU 51 -5.067 -2.872 -2.870
368 1HD1 LEU 51 1HD1 LEU 51 -5.790 -4.860 -4.277
369 2HD1 LEU 51 2HD1 LEU 51 -6.968 -3.767 -5.041
370 3HD1 LEU 51 3HD1 LEU 51 -5.226 -3.421 -5.159
371 1HD2 LEU 51 1HD2 LEU 51 -7.297 -1.323 -2.631
372 2HD2 LEU 51 2HD2 LEU 51 -5.847 -0.888 -3.566
373 3HD2 LEU 51 3HD2 LEU 51 -7.253 -1.608 -4.388
374 H TYR 52 H TYR 52 -7.303 -6.129 -0.684
375 HA TYR 52 HA TYR 52 -9.932 -5.922 0.610
376 1HB TYR 52 1HB TYR 52 -8.313 -7.679 2.062
377 2HB TYR 52 2HB TYR 52 -9.392 -8.194 0.781
378 HD1 TYR 52 HD1 TYR 52 -5.887 -7.015 1.358
379 HD2 TYR 52 HD2 TYR 52 -8.538 -9.306 -1.097
380 HE1 TYR 52 HE1 TYR 52 -3.906 -7.908 0.038
381 HE2 TYR 52 HE2 TYR 52 -6.548 -10.191 -2.409
382 HH TYR 52 HH TYR 52 -3.240 -9.217 -1.539
383 H GLU 53 H GLU 53 -9.405 -6.202 3.231
384 HA GLU 53 HA GLU 53 -8.644 -3.648 3.913
385 1HB GLU 53 1HB GLU 53 -8.925 -4.362 6.210
386 2HB GLU 53 2HB GLU 53 -10.133 -5.186 5.243
387 1HG GLU 53 1HG GLU 53 -8.530 -7.176 5.093
388 2HG GLU 53 2HG GLU 53 -7.495 -6.354 6.243
389 H GLN 54 H GLN 54 -6.749 -6.563 3.391
390 HA GLN 54 HA GLN 54 -4.494 -5.490 4.809
391 1HB GLN 54 1HB GLN 54 -4.933 -8.035 3.196
392 2HB GLN 54 2HB GLN 54 -3.373 -7.607 3.868
393 1HG GLN 54 1HG GLN 54 -5.945 -7.919 5.489
394 2HG GLN 54 2HG GLN 54 -4.685 -9.132 5.369
395 1HE2 GLN 54 1HE2 GLN 54 -4.440 -6.761 8.396
396 2HE2 GLN 54 2HE2 GLN 54 -5.797 -7.505 7.618
397 H ALA 55 H ALA 55 -5.737 -4.139 2.230
398 HA ALA 55 HA ALA 55 -3.022 -3.576 1.318
399 1HB ALA 55 1HB ALA 55 -5.758 -2.419 0.670
400 2HB ALA 55 2HB ALA 55 -4.234 -1.736 0.054
401 3HB ALA 55 3HB ALA 55 -4.708 -3.394 -0.386
402 H ILE 56 H ILE 56 -1.707 -2.262 2.699
403 HA ILE 56 HA ILE 56 -3.168 0.233 3.224
404 HB ILE 56 HB ILE 56 -0.530 -0.770 4.290
405 1HG1 ILE 56 1HG1 ILE 56 -2.023 -0.015 6.434
406 2HG1 ILE 56 2HG1 ILE 56 -3.290 -0.559 5.351
407 1HG2 ILE 56 1HG2 ILE 56 -1.786 1.976 4.533
408 2HG2 ILE 56 2HG2 ILE 56 -0.437 1.385 5.532
409 3HG2 ILE 56 3HG2 ILE 56 -0.232 1.558 3.773
410 1HD1 ILE 56 1HD1 ILE 56 -0.814 -2.176 6.115
411 2HD1 ILE 56 2HD1 ILE 56 -2.456 -2.426 6.752
412 3HD1 ILE 56 3HD1 ILE 56 -2.114 -2.727 5.032
413 H VAL 57 H VAL 57 -2.819 1.945 1.865
414 HA VAL 57 HA VAL 57 -1.413 1.207 -0.542
415 HB VAL 57 HB VAL 57 -3.762 2.278 -0.247
416 1HG1 VAL 57 1HG1 VAL 57 -2.849 4.184 1.143
417 2HG1 VAL 57 2HG1 VAL 57 -2.106 4.817 -0.345
418 3HG1 VAL 57 3HG1 VAL 57 -3.876 4.664 -0.230
419 1HG2 VAL 57 1HG2 VAL 57 -1.924 2.141 -2.341
420 2HG2 VAL 57 2HG2 VAL 57 -3.663 2.493 -2.472
421 3HG2 VAL 57 3HG2 VAL 57 -2.490 3.828 -2.364
422 H TRP 58 H TRP 58 -0.496 3.613 -1.579
423 HA TRP 58 HA TRP 58 2.056 3.294 -0.404
424 1HB TRP 58 1HB TRP 58 1.806 3.478 -2.786
425 2HB TRP 58 2HB TRP 58 1.038 5.047 -2.643
426 HD1 TRP 58 HD1 TRP 58 4.499 3.427 -2.645
427 HE1 TRP 58 HE1 TRP 58 6.423 5.232 -2.701
428 HE3 TRP 58 HE3 TRP 58 1.478 7.436 -1.839
429 HZ2 TRP 58 HZ2 TRP 58 6.464 8.071 -2.408
430 HZ3 TRP 58 HZ3 TRP 58 2.540 9.689 -1.738
431 HH2 TRP 58 HH2 TRP 58 4.944 10.041 -2.007
432 HA PRO 59 HA PRO 59 3.713 4.091 -0.178
433 1HB PRO 59 1HB PRO 59 5.632 4.874 1.603
434 2HB PRO 59 2HB PRO 59 5.506 5.526 -0.018
435 1HG PRO 59 1HG PRO 59 4.755 6.785 2.549
436 2HG PRO 59 2HG PRO 59 5.037 7.545 0.994
437 1HD PRO 59 1HD PRO 59 2.494 7.025 2.213
438 2HD PRO 59 2HD PRO 59 2.774 7.678 0.612
439 H LEU 60 H LEU 60 5.244 2.584 1.391
440 HA LEU 60 HA LEU 60 3.705 1.542 3.500
441 1HB LEU 60 1HB LEU 60 6.668 1.566 2.932
442 2HB LEU 60 2HB LEU 60 5.959 0.727 4.297
443 HG LEU 60 HG LEU 60 5.984 -1.026 2.886
444 1HD1 LEU 60 1HD1 LEU 60 3.594 -0.576 3.259
445 2HD1 LEU 60 2HD1 LEU 60 3.541 0.361 1.747
446 3HD1 LEU 60 3HD1 LEU 60 3.893 -1.383 1.702
447 1HD2 LEU 60 1HD2 LEU 60 7.236 0.312 1.178
448 2HD2 LEU 60 2HD2 LEU 60 6.179 -0.954 0.506
449 3HD2 LEU 60 3HD2 LEU 60 5.669 0.750 0.454
450 HA PRO 61 HA PRO 61 4.509 4.518 6.633
451 1HB PRO 61 1HB PRO 61 4.269 2.973 8.874
452 2HB PRO 61 2HB PRO 61 2.896 3.672 8.039
453 1HG PRO 61 1HG PRO 61 3.831 0.868 8.044
454 2HG PRO 61 2HG PRO 61 2.263 1.501 7.585
455 1HD PRO 61 1HD PRO 61 4.347 0.629 5.817
456 2HD PRO 61 2HD PRO 61 2.826 1.370 5.359
457 H ASN 62 H ASN 62 6.189 1.418 7.094
458 HA ASN 62 HA ASN 62 7.975 2.973 8.778
459 1HB ASN 62 1HB ASN 62 8.479 0.758 9.868
460 2HB ASN 62 2HB ASN 62 6.776 1.162 9.948
461 1HD2 ASN 62 1HD2 ASN 62 7.636 -2.392 8.689
462 2HD2 ASN 62 2HD2 ASN 62 8.363 -1.400 9.908
463 H LYS 63 H LYS 63 7.853 2.024 5.669
464 HA LYS 63 HA LYS 63 10.682 1.968 5.419
465 1HB LYS 63 1HB LYS 63 10.768 -0.234 4.213
466 2HB LYS 63 2HB LYS 63 10.552 -0.341 5.948
467 1HG LYS 63 1HG LYS 63 8.282 -0.978 5.769
468 2HG LYS 63 2HG LYS 63 8.100 -0.272 4.175
469 1HD LYS 63 1HD LYS 63 9.964 -2.632 4.650
470 2HD LYS 63 2HD LYS 63 8.254 -2.872 4.352
471 1HE LYS 63 1HE LYS 63 8.503 -1.506 2.214
472 2HE LYS 63 2HE LYS 63 10.233 -1.465 2.497
473 1HZ LYS 63 1HZ LYS 63 9.942 -3.999 2.668
474 2HZ LYS 63 2HZ LYS 63 8.558 -3.749 1.840
475 3HZ LYS 63 3HZ LYS 63 9.988 -3.298 1.194
476 H ARG 64 H ARG 64 9.091 3.925 4.578
477 HA ARG 64 HA ARG 64 8.052 3.552 2.032
478 1HB ARG 64 1HB ARG 64 8.148 6.032 1.877
479 2HB ARG 64 2HB ARG 64 7.548 5.535 3.447
480 1HG ARG 64 1HG ARG 64 9.718 5.934 4.491
481 2HG ARG 64 2HG ARG 64 10.486 6.180 2.935
482 1HD ARG 64 1HD ARG 64 9.083 8.211 2.549
483 2HD ARG 64 2HD ARG 64 8.282 7.959 4.086
484 HE ARG 64 HE ARG 64 10.247 8.654 5.233
485 1HH1 ARG 64 2HH1 ARG 64 11.068 8.061 1.877
486 2HH1 ARG 64 1HH1 ARG 64 12.364 9.209 1.846
487 1HH2 ARG 64 1HH2 ARG 64 11.998 10.147 5.223
488 2HH2 ARG 64 2HH2 ARG 64 12.988 10.290 3.809
489 H CYS 65 H CYS 65 9.023 4.752 0.010
490 HA CYS 65 HA CYS 65 11.588 3.756 -0.516
491 1HB CYS 65 1HB CYS 65 9.595 4.440 -2.092
492 2HB CYS 65 2HB CYS 65 10.393 6.001 -2.099
493 H SER 66 H SER 66 13.603 4.957 -0.780
494 HA SER 66 HA SER 66 14.019 6.650 1.361
495 1HB SER 66 1HB SER 66 16.300 6.905 0.454
496 2HB SER 66 2HB SER 66 15.782 5.234 0.368
497 HG SER 66 HG SER 66 16.786 5.897 -1.617
498 1HN NH2 67 1H SER 66 14.223 7.341 -2.152
499 2HN NH2 67 2H SER 66 13.949 9.048 -2.044
No H/Q in entry = 499