Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651268 | 6vpn RC | 30720 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 1HT LYS 1 9.613 13.915 4.772
2 H2 LYS 1 2HT LYS 1 9.464 12.250 5.013
3 H3 LYS 1 3HT LYS 1 8.385 13.075 4.023
4 HA LYS 1 HA LYS 1 9.999 13.604 2.426
5 HB2 LYS 1 2HB LYS 1 12.318 12.814 2.601
6 HB3 LYS 1 1HB LYS 1 11.921 13.932 3.895
7 HG2 LYS 1 2HG LYS 1 11.669 12.063 5.444
8 HG3 LYS 1 1HG LYS 1 12.034 10.924 4.149
9 HD2 LYS 1 2HD LYS 1 13.901 13.071 5.177
10 HD3 LYS 1 1HD LYS 1 13.959 11.373 5.637
11 HE2 LYS 1 2HE LYS 1 14.423 10.747 3.325
12 HE3 LYS 1 1HE LYS 1 14.310 12.427 2.826
13 HZ1 LYS 1 1HZ LYS 1 16.604 11.753 3.094
14 HZ2 LYS 1 2HZ LYS 1 16.335 11.306 4.685
15 HZ3 LYS 1 3HZ LYS 1 16.218 12.927 4.240
16 H THR 2 HN THR 2 8.102 11.410 3.110
17 HA THR 2 HA THR 2 9.333 9.313 1.498
18 HB THR 2 HB THR 2 7.344 7.942 2.403
19 HG1 THR 2 1HG THR 2 6.123 9.589 3.300
20 HG21 THR 2 1HG2 THR 2 9.648 7.570 3.138
21 HG22 THR 2 2HG2 THR 2 8.529 7.391 4.491
22 HG23 THR 2 3HG2 THR 2 9.489 8.864 4.327
23 H CYS 3 HN CYS 3 7.905 8.346 -0.108
24 HA CYS 3 HA CYS 3 6.039 10.364 -1.173
25 HB2 CYS 3 2HB CYS 3 7.310 8.060 -2.658
26 HB3 CYS 3 1HB CYS 3 6.492 9.456 -3.348
27 H GLU 4 HN GLU 4 4.053 9.374 -2.170
28 HA GLU 4 HA GLU 4 3.546 6.674 -1.290
29 HB2 GLU 4 2HB GLU 4 2.935 8.154 0.604
30 HB3 GLU 4 1HB GLU 4 1.819 9.005 -0.447
31 HG2 GLU 4 2HG GLU 4 0.435 7.116 -0.639
32 HG3 GLU 4 1HG GLU 4 1.615 6.077 0.164
33 H ASN 5 HN ASN 5 2.597 5.635 -2.879
34 HA ASN 5 HA ASN 5 1.002 7.148 -4.838
35 HB2 ASN 5 2HB ASN 5 2.044 5.947 -6.694
36 HB3 ASN 5 1HB ASN 5 3.273 6.794 -5.771
37 HD21 ASN 5 1HD2 ASN 5 2.034 3.704 -6.731
38 HD22 ASN 5 2HD2 ASN 5 3.347 2.763 -6.144
39 H LEU 6 HN LEU 6 -0.337 5.679 -6.228
40 HA LEU 6 HA LEU 6 -1.822 3.936 -4.574
41 HB2 LEU 6 2HB LEU 6 -1.955 4.598 -7.488
42 HB3 LEU 6 1HB LEU 6 -2.971 3.360 -6.786
43 HG LEU 6 HG LEU 6 -2.960 6.265 -5.960
44 HD11 LEU 6 1HD1 LEU 6 -5.166 6.301 -6.979
45 HD12 LEU 6 2HD1 LEU 6 -4.970 4.635 -7.513
46 HD13 LEU 6 3HD1 LEU 6 -3.935 5.912 -8.180
47 HD21 LEU 6 1HD2 LEU 6 -4.602 3.908 -5.156
48 HD22 LEU 6 2HD2 LEU 6 -4.982 5.582 -4.759
49 HD23 LEU 6 3HD2 LEU 6 -3.521 4.842 -4.116
50 H ALA 7 HN ALA 7 -1.897 1.847 -4.380
51 HA ALA 7 HA ALA 7 0.125 0.147 -5.443
52 HB1 ALA 7 1HB ALA 7 -1.242 -1.659 -4.437
53 HB2 ALA 7 2HB ALA 7 -2.530 -0.486 -4.138
54 HB3 ALA 7 3HB ALA 7 -0.987 -0.324 -3.307
55 H ASP 8 HN ASP 8 0.135 -0.600 -7.496
56 HA ASP 8 HA ASP 8 -2.154 0.115 -9.072
57 HB2 ASP 8 2HB ASP 8 0.043 0.651 -9.952
58 HB3 ASP 8 1HB ASP 8 0.463 -1.063 -9.991
59 H THR 9 HN THR 9 -0.584 -2.840 -8.089
60 HA THR 9 HA THR 9 -2.451 -4.330 -9.714
61 HB THR 9 HB THR 9 -0.178 -5.166 -9.675
62 HG1 THR 9 1HG THR 9 -2.208 -6.727 -8.636
63 HG21 THR 9 1HG2 THR 9 -0.519 -5.529 -6.705
64 HG22 THR 9 2HG2 THR 9 0.497 -4.325 -7.495
65 HG23 THR 9 3HG2 THR 9 0.879 -6.040 -7.655
66 H TYR 10 HN TYR 10 -3.038 -2.703 -7.131
67 HA TYR 10 HA TYR 10 -4.513 -4.780 -5.712
68 HB2 TYR 10 2HB TYR 10 -3.069 -3.175 -4.405
69 HB3 TYR 10 1HB TYR 10 -4.151 -1.886 -4.914
70 HD1 TYR 10 1HD TYR 10 -6.485 -1.823 -4.044
71 HD2 TYR 10 2HD TYR 10 -3.674 -4.698 -2.673
72 HE1 TYR 10 1HE TYR 10 -7.913 -2.283 -2.125
73 HE2 TYR 10 2HE TYR 10 -5.090 -5.174 -0.733
74 HH TYR 10 HH TYR 10 -8.318 -4.068 -0.541
75 H LYS 11 HN LYS 11 -6.319 -5.114 -6.979
76 HA LYS 11 HA LYS 11 -7.908 -2.723 -7.500
77 HB2 LYS 11 2HB LYS 11 -8.050 -5.457 -8.801
78 HB3 LYS 11 1HB LYS 11 -9.304 -4.256 -8.987
79 HG2 LYS 11 2HG LYS 11 -7.948 -4.203 -10.942
80 HG3 LYS 11 1HG LYS 11 -7.599 -2.746 -10.020
81 HD2 LYS 11 2HD LYS 11 -5.544 -3.729 -9.193
82 HD3 LYS 11 1HD LYS 11 -5.924 -5.252 -9.997
83 HE2 LYS 11 2HE LYS 11 -4.312 -4.024 -11.302
84 HE3 LYS 11 1HE LYS 11 -5.839 -4.104 -12.169
85 HZ1 LYS 11 1HZ LYS 11 -4.911 -1.917 -12.340
86 HZ2 LYS 11 2HZ LYS 11 -4.745 -1.766 -10.690
87 HZ3 LYS 11 3HZ LYS 11 -6.295 -1.792 -11.382
88 H GLY 12 HN GLY 12 -9.461 -2.347 -6.151
89 HA2 GLY 12 2HA GLY 12 -11.581 -3.437 -5.374
90 HA3 GLY 12 1HA GLY 12 -10.503 -4.591 -4.594
91 HA PRO 13 HA PRO 13 -10.996 -0.917 -1.796
92 HB2 PRO 13 2HB PRO 13 -12.913 -2.308 -0.154
93 HB3 PRO 13 1HB PRO 13 -13.153 -0.832 -1.089
94 HG2 PRO 13 2HG PRO 13 -14.368 -3.213 -1.673
95 HG3 PRO 13 1HG PRO 13 -14.031 -1.959 -2.880
96 HD2 PRO 13 2HD PRO 13 -12.488 -4.445 -2.243
97 HD3 PRO 13 1HD PRO 13 -12.905 -3.762 -3.831
98 H CYS 14 HN CYS 14 -10.136 -0.772 0.270
99 HA CYS 14 HA CYS 14 -8.687 -3.053 1.245
100 HB2 CYS 14 2HB CYS 14 -7.502 -0.968 1.266
101 HB3 CYS 14 1HB CYS 14 -8.815 -0.170 2.127
102 H PHE 15 HN PHE 15 -9.771 -4.486 2.414
103 HA PHE 15 HA PHE 15 -11.795 -3.514 4.277
104 HB2 PHE 15 2HB PHE 15 -11.139 -6.331 3.392
105 HB3 PHE 15 1HB PHE 15 -12.405 -5.906 4.541
106 HD1 PHE 15 1HD PHE 15 -11.610 -6.389 1.114
107 HD2 PHE 15 2HD PHE 15 -14.202 -4.272 3.743
108 HE1 PHE 15 1HE PHE 15 -13.173 -6.001 -0.734
109 HE2 PHE 15 2HE PHE 15 -15.765 -3.886 1.898
110 HZ PHE 15 HZ PHE 15 -15.255 -4.746 -0.341
111 H THR 16 HN THR 16 -8.633 -4.830 4.142
112 HA THR 16 HA THR 16 -8.439 -4.396 6.998
113 HB THR 16 HB THR 16 -7.348 -6.858 5.611
114 HG1 THR 16 1HG THR 16 -9.729 -6.251 6.809
115 HG21 THR 16 1HG2 THR 16 -5.973 -6.122 7.512
116 HG22 THR 16 2HG2 THR 16 -6.837 -7.606 7.924
117 HG23 THR 16 3HG2 THR 16 -7.408 -6.056 8.533
118 H THR 17 HN THR 17 -6.816 -3.036 7.347
119 HA THR 17 HA THR 17 -5.180 -2.044 5.325
120 HB THR 17 HB THR 17 -4.662 -1.886 8.308
121 HG1 THR 17 1HG THR 17 -5.907 0.159 6.870
122 HG21 THR 17 1HG2 THR 17 -3.522 0.225 7.743
123 HG22 THR 17 2HG2 THR 17 -3.856 -0.052 6.033
124 HG23 THR 17 3HG2 THR 17 -2.774 -1.135 6.902
125 H GLY 18 HN GLY 18 -4.638 -4.567 7.713
126 HA2 GLY 18 2HA GLY 18 -1.916 -5.012 7.417
127 HA3 GLY 18 1HA GLY 18 -3.095 -6.260 7.796
128 H SER 19 HN SER 19 -4.580 -6.294 5.447
129 HA SER 19 HA SER 19 -3.032 -7.905 3.752
130 HB2 SER 19 2HB SER 19 -5.660 -6.528 3.144
131 HB3 SER 19 1HB SER 19 -5.042 -8.013 2.415
132 HG SER 19 HG SER 19 -5.028 -8.832 4.632
133 H CYS 20 HN CYS 20 -4.238 -4.590 3.485
134 HA CYS 20 HA CYS 20 -3.234 -3.955 0.938
135 HB2 CYS 20 2HB CYS 20 -4.939 -2.643 2.053
136 HB3 CYS 20 1HB CYS 20 -3.827 -2.244 3.351
137 H ASP 21 HN ASP 21 -1.905 -3.569 4.153
138 HA ASP 21 HA ASP 21 0.477 -2.214 3.636
139 HB2 ASP 21 2HB ASP 21 -0.506 -2.509 5.857
140 HB3 ASP 21 1HB ASP 21 -0.237 -4.238 5.761
141 H ASP 22 HN ASP 22 -0.262 -5.622 3.896
142 HA ASP 22 HA ASP 22 2.270 -6.734 3.394
143 HB2 ASP 22 2HB ASP 22 0.431 -8.044 4.307
144 HB3 ASP 22 1HB ASP 22 -0.505 -7.774 2.854
145 H HIS 23 HN HIS 23 -0.360 -5.788 1.271
146 HA HIS 23 HA HIS 23 0.626 -6.894 -1.105
147 HB2 HIS 23 2HB HIS 23 -1.732 -6.224 -0.694
148 HB3 HIS 23 1HB HIS 23 -1.231 -4.542 -0.723
149 HD1 HIS 23 1HD HIS 23 -1.959 -7.447 -2.954
150 HD2 HIS 23 2HD HIS 23 -0.616 -3.528 -3.249
151 HE1 HIS 23 1HE HIS 23 -2.186 -6.815 -5.370
152 H CYS 24 HN CYS 24 0.826 -3.587 0.197
153 HA CYS 24 HA CYS 24 2.267 -2.558 -1.966
154 HB2 CYS 24 2HB CYS 24 2.171 -1.628 0.897
155 HB3 CYS 24 1HB CYS 24 2.915 -0.719 -0.413
156 H LYS 25 HN LYS 25 3.344 -4.253 0.887
157 HA LYS 25 HA LYS 25 6.112 -3.661 0.497
158 HB2 LYS 25 2HB LYS 25 4.701 -5.706 2.195
159 HB3 LYS 25 1HB LYS 25 6.442 -5.464 2.202
160 HG2 LYS 25 2HG LYS 25 6.208 -3.248 3.033
161 HG3 LYS 25 1HG LYS 25 4.459 -3.297 2.808
162 HD2 LYS 25 2HD LYS 25 4.260 -5.006 4.502
163 HD3 LYS 25 1HD LYS 25 6.016 -5.060 4.695
164 HE2 LYS 25 2HE LYS 25 6.038 -2.798 5.512
165 HE3 LYS 25 1HE LYS 25 4.327 -2.613 5.150
166 HZ1 LYS 25 1HZ LYS 25 3.764 -4.161 6.773
167 HZ2 LYS 25 2HZ LYS 25 4.770 -3.036 7.514
168 HZ3 LYS 25 3HZ LYS 25 5.366 -4.579 7.108
169 H ASN 26 HN ASN 26 4.063 -6.467 -0.191
170 HA ASN 26 HA ASN 26 6.331 -7.880 -1.304
171 HB2 ASN 26 2HB ASN 26 3.444 -8.693 -1.048
172 HB3 ASN 26 1HB ASN 26 4.656 -9.695 -1.834
173 HD21 ASN 26 1HD2 ASN 26 3.459 -8.472 1.156
174 HD22 ASN 26 2HD2 ASN 26 4.404 -9.477 2.186
175 H LYS 27 HN LYS 27 3.266 -6.636 -2.634
176 HA LYS 27 HA LYS 27 3.989 -7.563 -5.267
177 HB2 LYS 27 2HB LYS 27 1.665 -5.863 -4.379
178 HB3 LYS 27 1HB LYS 27 1.858 -6.609 -5.954
179 HG2 LYS 27 2HG LYS 27 1.575 -8.086 -3.348
180 HG3 LYS 27 1HG LYS 27 0.283 -7.819 -4.516
181 HD2 LYS 27 2HD LYS 27 1.619 -9.070 -6.196
182 HD3 LYS 27 1HD LYS 27 2.816 -9.404 -4.942
183 HE2 LYS 27 2HE LYS 27 1.117 -10.564 -3.616
184 HE3 LYS 27 1HE LYS 27 -0.086 -10.218 -4.854
185 HZ1 LYS 27 1HZ LYS 27 2.346 -11.862 -5.225
186 HZ2 LYS 27 2HZ LYS 27 1.209 -11.535 -6.411
187 HZ3 LYS 27 3HZ LYS 27 0.776 -12.458 -5.060
188 H GLU 28 HN GLU 28 3.441 -4.389 -3.774
189 HA GLU 28 HA GLU 28 4.396 -3.068 -6.153
190 HB2 GLU 28 2HB GLU 28 3.652 -1.944 -3.452
191 HB3 GLU 28 1HB GLU 28 4.159 -0.965 -4.815
192 HG2 GLU 28 2HG GLU 28 1.732 -2.752 -4.787
193 HG3 GLU 28 1HG GLU 28 1.717 -1.014 -4.508
194 H HIS 29 HN HIS 29 5.811 -4.333 -3.359
195 HA HIS 29 HA HIS 29 7.961 -4.550 -2.644
196 HB2 HIS 29 2HB HIS 29 8.398 -4.959 -5.081
197 HB3 HIS 29 1HB HIS 29 8.648 -3.242 -5.313
198 HD1 HIS 29 1HD HIS 29 10.279 -6.185 -3.503
199 HD2 HIS 29 2HD HIS 29 11.196 -2.445 -5.056
200 HE1 HIS 29 1HE HIS 29 12.792 -5.960 -3.349
201 H LEU 30 HN LEU 30 6.397 -2.290 -1.918
202 HA LEU 30 HA LEU 30 8.375 -0.143 -1.669
203 HB2 LEU 30 2HB LEU 30 5.381 -0.061 -1.361
204 HB3 LEU 30 1HB LEU 30 6.449 1.312 -1.147
205 HG LEU 30 HG LEU 30 5.980 -0.199 -3.710
206 HD11 LEU 30 1HD1 LEU 30 5.019 1.927 -4.474
207 HD12 LEU 30 2HD1 LEU 30 5.178 2.562 -2.831
208 HD13 LEU 30 3HD1 LEU 30 4.129 1.185 -3.151
209 HD21 LEU 30 1HD2 LEU 30 8.276 0.532 -3.647
210 HD22 LEU 30 2HD2 LEU 30 7.784 2.134 -3.114
211 HD23 LEU 30 3HD2 LEU 30 7.366 1.582 -4.734
212 H ARG 31 HN ARG 31 7.419 1.251 0.436
213 HA ARG 31 HA ARG 31 8.576 -0.190 2.572
214 HB2 ARG 31 2HB ARG 31 9.049 2.133 2.419
215 HB3 ARG 31 1HB ARG 31 7.343 2.547 2.392
216 HG2 ARG 31 2HG ARG 31 7.115 1.855 4.700
217 HG3 ARG 31 1HG ARG 31 8.805 1.367 4.745
218 HD2 ARG 31 2HD ARG 31 9.479 3.691 4.317
219 HD3 ARG 31 1HD ARG 31 7.786 4.157 4.233
220 HE ARG 31 HE ARG 31 7.790 3.141 6.623
221 HH11 ARG 31 1HH1 ARG 31 10.491 5.050 5.262
222 HH12 ARG 31 2HH1 ARG 31 10.795 5.842 6.734
223 HH21 ARG 31 1HH2 ARG 31 8.305 4.252 8.637
224 HH22 ARG 31 2HH2 ARG 31 9.571 5.394 8.636
225 H SER 32 HN SER 32 5.283 1.204 2.211
226 HA SER 32 HA SER 32 4.151 -0.964 3.751
227 HB2 SER 32 2HB SER 32 4.037 1.873 4.836
228 HB3 SER 32 1HB SER 32 3.224 0.468 5.523
229 HG SER 32 HG SER 32 5.727 -0.197 5.272
230 H GLY 33 HN GLY 33 1.650 -0.274 4.149
231 HA2 GLY 33 2HA GLY 33 0.746 1.322 1.876
232 HA3 GLY 33 1HA GLY 33 0.137 -0.319 2.077
233 H ARG 34 HN ARG 34 -0.992 2.551 2.293
234 HA ARG 34 HA ARG 34 -2.398 2.048 4.817
235 HB2 ARG 34 2HB ARG 34 -1.697 4.759 3.679
236 HB3 ARG 34 1HB ARG 34 -2.575 4.455 5.168
237 HG2 ARG 34 2HG ARG 34 -0.526 3.368 6.072
238 HG3 ARG 34 1HG ARG 34 0.322 3.859 4.604
239 HD2 ARG 34 2HD ARG 34 -0.978 5.660 6.638
240 HD3 ARG 34 1HD ARG 34 0.749 5.461 6.347
241 HE ARG 34 HE ARG 34 0.117 6.347 3.992
242 HH11 ARG 34 1HH1 ARG 34 -1.294 7.467 7.063
243 HH12 ARG 34 2HH1 ARG 34 -1.708 8.997 6.407
244 HH21 ARG 34 1HH2 ARG 34 -0.497 8.408 3.181
245 HH22 ARG 34 2HH2 ARG 34 -1.221 9.551 4.245
246 H CYS 35 HN CYS 35 -4.589 2.321 4.721
247 HA CYS 35 HA CYS 35 -5.682 2.393 2.034
248 HB2 CYS 35 2HB CYS 35 -7.070 1.781 4.635
249 HB3 CYS 35 1HB CYS 35 -7.613 1.398 3.004
250 H ARG 36 HN ARG 36 -6.951 3.985 1.340
251 HA ARG 36 HA ARG 36 -7.314 6.368 2.941
252 HB2 ARG 36 2HB ARG 36 -7.523 5.599 0.112
253 HB3 ARG 36 1HB ARG 36 -8.587 6.879 0.645
254 HG2 ARG 36 2HG ARG 36 -5.630 6.960 1.135
255 HG3 ARG 36 1HG ARG 36 -6.382 7.595 -0.333
256 HD2 ARG 36 2HD ARG 36 -6.942 8.434 2.491
257 HD3 ARG 36 1HD ARG 36 -6.132 9.394 1.247
258 HE ARG 36 HE ARG 36 -8.416 8.924 0.034
259 HH11 ARG 36 1HH1 ARG 36 -7.871 9.883 3.403
260 HH12 ARG 36 2HH1 ARG 36 -9.415 10.548 3.596
261 HH21 ARG 36 1HH2 ARG 36 -10.483 9.931 0.257
262 HH22 ARG 36 2HH2 ARG 36 -10.923 10.663 1.723
263 H ASP 37 HN ASP 37 -9.483 7.487 2.722
264 HA ASP 37 HA ASP 37 -11.579 5.925 3.875
265 HB2 ASP 37 2HB ASP 37 -11.653 8.725 2.699
266 HB3 ASP 37 1HB ASP 37 -13.042 7.969 3.460
267 H ASP 38 HN ASP 38 -10.756 6.862 0.701
268 HA ASP 38 HA ASP 38 -13.180 5.950 -0.548
269 HB2 ASP 38 2HB ASP 38 -11.863 6.349 -2.668
270 HB3 ASP 38 1HB ASP 38 -12.046 7.756 -1.630
271 H PHE 39 HN PHE 39 -10.982 4.323 1.003
272 HA PHE 39 HA PHE 39 -10.526 2.181 1.289
273 HB2 PHE 39 2HB PHE 39 -12.465 1.703 -0.965
274 HB3 PHE 39 1HB PHE 39 -11.719 0.428 -0.014
275 HD1 PHE 39 1HD PHE 39 -12.262 0.211 2.398
276 HD2 PHE 39 2HD PHE 39 -14.300 2.954 -0.143
277 HE1 PHE 39 1HE PHE 39 -14.080 0.381 4.038
278 HE2 PHE 39 2HE PHE 39 -16.120 3.128 1.496
279 HZ PHE 39 HZ PHE 39 -16.011 1.838 3.593
280 H ARG 40 HN ARG 40 -9.344 3.816 -1.217
281 HA ARG 40 HA ARG 40 -8.129 1.535 -2.517
282 HB2 ARG 40 2HB ARG 40 -8.938 3.531 -3.781
283 HB3 ARG 40 1HB ARG 40 -7.690 4.481 -3.002
284 HG2 ARG 40 2HG ARG 40 -6.988 3.893 -5.233
285 HG3 ARG 40 1HG ARG 40 -5.990 3.072 -4.031
286 HD2 ARG 40 2HD ARG 40 -6.596 1.625 -5.930
287 HD3 ARG 40 1HD ARG 40 -7.169 0.998 -4.388
288 HE ARG 40 HE ARG 40 -9.281 2.357 -5.230
289 HH11 ARG 40 1HH1 ARG 40 -7.228 0.107 -7.090
290 HH12 ARG 40 2HH1 ARG 40 -8.540 -0.541 -7.959
291 HH21 ARG 40 1HH2 ARG 40 -11.036 1.427 -6.412
292 HH22 ARG 40 2HH2 ARG 40 -10.740 0.211 -7.574
293 H CYS 41 HN CYS 41 -5.851 1.230 -2.609
294 HA CYS 41 HA CYS 41 -4.564 1.903 -0.123
295 HB2 CYS 41 2HB CYS 41 -4.040 -0.128 -2.242
296 HB3 CYS 41 1HB CYS 41 -2.853 0.236 -0.992
297 H TRP 42 HN TRP 42 -3.199 3.415 0.081
298 HA TRP 42 HA TRP 42 -1.567 4.210 -2.195
299 HB2 TRP 42 2HB TRP 42 -2.893 5.714 -0.072
300 HB3 TRP 42 1HB TRP 42 -1.182 6.090 -0.168
301 HD1 TRP 42 1HD TRP 42 -0.331 7.234 -2.500
302 HE1 TRP 42 1HE TRP 42 -1.600 8.644 -4.246
303 HE3 TRP 42 3HE TRP 42 -5.112 6.001 -1.227
304 HZ2 TRP 42 2HZ TRP 42 -4.257 9.185 -4.960
305 HZ3 TRP 42 3HZ TRP 42 -6.964 7.016 -2.486
306 HH2 TRP 42 2HH TRP 42 -6.529 8.578 -4.323
307 H CYS 43 HN CYS 43 0.398 3.528 -2.105
308 HA CYS 43 HA CYS 43 1.329 2.209 0.292
309 HB2 CYS 43 2HB CYS 43 2.460 2.261 -2.483
310 HB3 CYS 43 1HB CYS 43 2.962 1.198 -1.171
311 H THR 44 HN THR 44 2.689 3.145 1.558
312 HA THR 44 HA THR 44 3.933 5.658 0.946
313 HB THR 44 HB THR 44 4.385 3.840 3.325
314 HG1 THR 44 1HG THR 44 2.167 5.592 2.792
315 HG21 THR 44 1HG2 THR 44 4.543 6.849 3.006
316 HG22 THR 44 2HG2 THR 44 5.913 5.743 3.151
317 HG23 THR 44 3HG2 THR 44 4.813 5.965 4.508
318 H LYS 45 HN LYS 45 6.019 5.802 0.200
319 HA LYS 45 HA LYS 45 7.716 3.414 0.356
320 HB2 LYS 45 2HB LYS 45 8.513 3.804 -1.892
321 HB3 LYS 45 1HB LYS 45 6.764 3.612 -1.916
322 HG2 LYS 45 2HG LYS 45 6.518 6.050 -2.058
323 HG3 LYS 45 1HG LYS 45 8.273 6.210 -2.062
324 HD2 LYS 45 2HD LYS 45 6.627 4.772 -4.141
325 HD3 LYS 45 1HD LYS 45 7.311 6.383 -4.317
326 HE2 LYS 45 2HE LYS 45 8.875 3.813 -3.966
327 HE3 LYS 45 1HE LYS 45 8.650 4.704 -5.463
328 HZ1 LYS 45 1HZ LYS 45 9.843 6.580 -4.457
329 HZ2 LYS 45 2HZ LYS 45 10.768 5.190 -4.585
330 HZ3 LYS 45 3HZ LYS 45 10.191 5.647 -3.080
331 H ASN 46 HN ASN 46 9.967 3.920 0.218
332 HA ASN 46 HA ASN 46 10.571 6.495 1.410
333 HB2 ASN 46 2HB ASN 46 12.474 4.208 0.789
334 HB3 ASN 46 1HB ASN 46 12.832 5.624 1.761
335 HD21 ASN 46 1HD2 ASN 46 11.604 2.462 1.729
336 HD22 ASN 46 2HD2 ASN 46 11.201 2.361 3.400
337 H CYS 47 HN CYS 47 12.122 7.895 0.464
338 HA CYS 47 HA CYS 47 12.811 7.395 -2.304
339 HB2 CYS 47 2HB CYS 47 11.302 9.841 -1.349
340 HB3 CYS 47 1HB CYS 47 12.049 9.700 -2.937
Start of MODEL 2
1 H1 LYS 1 1HT LYS 1 13.754 8.849 1.385
2 H2 LYS 1 2HT LYS 1 14.401 10.356 0.942
3 H3 LYS 1 3HT LYS 1 13.490 9.464 -0.173
4 HA LYS 1 HA LYS 1 12.442 10.737 2.255
5 HB2 LYS 1 2HB LYS 1 13.041 12.186 0.277
6 HB3 LYS 1 1HB LYS 1 11.994 11.191 -0.704
7 HG2 LYS 1 2HG LYS 1 10.069 11.919 0.649
8 HG3 LYS 1 1HG LYS 1 11.151 12.966 1.578
9 HD2 LYS 1 2HD LYS 1 11.782 14.130 -0.480
10 HD3 LYS 1 1HD LYS 1 10.692 13.093 -1.395
11 HE2 LYS 1 2HE LYS 1 8.801 13.974 -0.097
12 HE3 LYS 1 1HE LYS 1 9.911 15.036 0.771
13 HZ1 LYS 1 1HZ LYS 1 9.413 15.070 -2.149
14 HZ2 LYS 1 2HZ LYS 1 10.498 16.060 -1.343
15 HZ3 LYS 1 3HZ LYS 1 8.841 16.212 -1.050
16 H THR 2 HN THR 2 10.100 10.403 2.391
17 HA THR 2 HA THR 2 9.296 8.013 0.978
18 HB THR 2 HB THR 2 7.551 7.938 2.832
19 HG1 THR 2 1HG THR 2 8.454 8.804 4.836
20 HG21 THR 2 1HG2 THR 2 9.079 6.588 4.237
21 HG22 THR 2 2HG2 THR 2 10.449 7.277 3.360
22 HG23 THR 2 3HG2 THR 2 9.279 6.267 2.512
23 H CYS 3 HN CYS 3 7.833 8.193 -0.354
24 HA CYS 3 HA CYS 3 6.044 10.500 -0.327
25 HB2 CYS 3 2HB CYS 3 6.133 10.184 -2.909
26 HB3 CYS 3 1HB CYS 3 7.486 10.991 -2.120
27 H GLU 4 HN GLU 4 3.985 9.913 -1.721
28 HA GLU 4 HA GLU 4 3.423 7.100 -1.171
29 HB2 GLU 4 2HB GLU 4 2.727 8.586 0.703
30 HB3 GLU 4 1HB GLU 4 1.618 9.380 -0.399
31 HG2 GLU 4 2HG GLU 4 0.271 7.459 -0.570
32 HG3 GLU 4 1HG GLU 4 1.507 6.438 0.170
33 H ASN 5 HN ASN 5 2.166 6.110 -2.623
34 HA ASN 5 HA ASN 5 0.929 7.685 -4.769
35 HB2 ASN 5 2HB ASN 5 3.341 7.068 -5.353
36 HB3 ASN 5 1HB ASN 5 2.846 5.388 -5.268
37 HD21 ASN 5 1HD2 ASN 5 1.466 4.554 -6.950
38 HD22 ASN 5 2HD2 ASN 5 1.284 5.412 -8.424
39 H LEU 6 HN LEU 6 -0.553 6.304 -5.982
40 HA LEU 6 HA LEU 6 -1.960 4.413 -4.459
41 HB2 LEU 6 2HB LEU 6 -1.964 5.140 -7.363
42 HB3 LEU 6 1HB LEU 6 -2.945 3.827 -6.754
43 HG LEU 6 HG LEU 6 -3.164 6.662 -5.735
44 HD11 LEU 6 1HD1 LEU 6 -5.184 6.765 -7.067
45 HD12 LEU 6 2HD1 LEU 6 -4.842 5.165 -7.730
46 HD13 LEU 6 3HD1 LEU 6 -3.778 6.528 -8.114
47 HD21 LEU 6 1HD2 LEU 6 -3.921 4.936 -4.196
48 HD22 LEU 6 2HD2 LEU 6 -4.905 4.228 -5.474
49 HD23 LEU 6 3HD2 LEU 6 -5.280 5.838 -4.863
50 H ALA 7 HN ALA 7 -2.010 2.264 -4.511
51 HA ALA 7 HA ALA 7 0.334 0.857 -5.335
52 HB1 ALA 7 1HB ALA 7 -0.879 -1.128 -4.526
53 HB2 ALA 7 2HB ALA 7 -2.336 -0.140 -4.349
54 HB3 ALA 7 3HB ALA 7 -0.923 0.188 -3.351
55 H ASP 8 HN ASP 8 0.692 0.351 -7.370
56 HA ASP 8 HA ASP 8 -1.433 0.461 -9.305
57 HB2 ASP 8 2HB ASP 8 0.786 1.410 -9.808
58 HB3 ASP 8 1HB ASP 8 1.490 -0.197 -9.696
59 H THR 9 HN THR 9 0.743 -2.040 -8.027
60 HA THR 9 HA THR 9 -0.252 -4.110 -9.613
61 HB THR 9 HB THR 9 1.026 -4.349 -6.887
62 HG1 THR 9 1HG THR 9 2.960 -4.038 -7.895
63 HG21 THR 9 1HG2 THR 9 1.993 -6.368 -7.871
64 HG22 THR 9 2HG2 THR 9 1.167 -6.008 -9.393
65 HG23 THR 9 3HG2 THR 9 0.224 -6.415 -7.952
66 H TYR 10 HN TYR 10 -1.208 -2.774 -6.497
67 HA TYR 10 HA TYR 10 -3.091 -4.890 -5.981
68 HB2 TYR 10 2HB TYR 10 -1.893 -3.633 -4.140
69 HB3 TYR 10 1HB TYR 10 -2.820 -2.212 -4.585
70 HD1 TYR 10 1HD TYR 10 -5.272 -2.161 -4.148
71 HD2 TYR 10 2HD TYR 10 -2.838 -5.365 -2.786
72 HE1 TYR 10 1HE TYR 10 -7.019 -2.801 -2.574
73 HE2 TYR 10 2HE TYR 10 -4.590 -6.025 -1.194
74 HH TYR 10 HH TYR 10 -7.756 -4.702 -1.346
75 H LYS 11 HN LYS 11 -4.462 -4.917 -7.613
76 HA LYS 11 HA LYS 11 -5.831 -2.504 -8.442
77 HB2 LYS 11 2HB LYS 11 -6.811 -4.103 -10.205
78 HB3 LYS 11 1HB LYS 11 -5.093 -3.735 -10.312
79 HG2 LYS 11 2HG LYS 11 -4.530 -5.836 -9.273
80 HG3 LYS 11 1HG LYS 11 -6.234 -6.184 -8.998
81 HD2 LYS 11 2HD LYS 11 -6.595 -6.333 -11.402
82 HD3 LYS 11 1HD LYS 11 -4.901 -5.919 -11.687
83 HE2 LYS 11 2HE LYS 11 -5.356 -8.363 -11.823
84 HE3 LYS 11 1HE LYS 11 -4.152 -7.938 -10.615
85 HZ1 LYS 11 1HZ LYS 11 -5.854 -8.161 -8.898
86 HZ2 LYS 11 2HZ LYS 11 -5.717 -9.584 -9.768
87 HZ3 LYS 11 3HZ LYS 11 -7.014 -8.550 -10.060
88 H GLY 12 HN GLY 12 -7.047 -2.205 -6.522
89 HA2 GLY 12 2HA GLY 12 -9.660 -2.862 -6.678
90 HA3 GLY 12 1HA GLY 12 -8.954 -4.173 -5.739
91 HA PRO 13 HA PRO 13 -9.669 -0.631 -2.858
92 HB2 PRO 13 2HB PRO 13 -11.928 -1.923 -1.668
93 HB3 PRO 13 1HB PRO 13 -11.918 -0.431 -2.604
94 HG2 PRO 13 2HG PRO 13 -13.104 -2.796 -3.427
95 HG3 PRO 13 1HG PRO 13 -12.602 -1.487 -4.509
96 HD2 PRO 13 2HD PRO 13 -11.203 -4.048 -3.851
97 HD3 PRO 13 1HD PRO 13 -11.332 -3.198 -5.408
98 H CYS 14 HN CYS 14 -9.372 -0.701 -0.598
99 HA CYS 14 HA CYS 14 -8.046 -3.085 0.334
100 HB2 CYS 14 2HB CYS 14 -6.940 -0.988 0.795
101 HB3 CYS 14 1HB CYS 14 -8.393 -0.344 1.558
102 H PHE 15 HN PHE 15 -9.576 -4.571 0.777
103 HA PHE 15 HA PHE 15 -11.881 -3.934 2.372
104 HB2 PHE 15 2HB PHE 15 -10.756 -6.632 1.579
105 HB3 PHE 15 1HB PHE 15 -12.333 -6.356 2.309
106 HD1 PHE 15 1HD PHE 15 -13.988 -4.907 1.036
107 HD2 PHE 15 2HD PHE 15 -10.491 -6.549 -0.743
108 HE1 PHE 15 1HE PHE 15 -14.976 -4.595 -1.188
109 HE2 PHE 15 2HE PHE 15 -11.462 -6.235 -2.960
110 HZ PHE 15 HZ PHE 15 -13.712 -5.256 -3.195
111 H THR 16 HN THR 16 -8.741 -5.341 2.830
112 HA THR 16 HA THR 16 -9.089 -5.134 5.716
113 HB THR 16 HB THR 16 -7.597 -7.341 4.263
114 HG1 THR 16 1HG THR 16 -10.199 -7.087 5.261
115 HG21 THR 16 1HG2 THR 16 -8.333 -7.001 7.182
116 HG22 THR 16 2HG2 THR 16 -6.714 -6.826 6.502
117 HG23 THR 16 3HG2 THR 16 -7.512 -8.397 6.487
118 H THR 17 HN THR 17 -7.563 -3.818 6.541
119 HA THR 17 HA THR 17 -5.779 -2.444 4.914
120 HB THR 17 HB THR 17 -5.781 -2.679 7.932
121 HG1 THR 17 1HG THR 17 -7.378 -1.373 6.059
122 HG21 THR 17 1HG2 THR 17 -4.739 -0.489 6.107
123 HG22 THR 17 2HG2 THR 17 -3.733 -1.619 7.013
124 HG23 THR 17 3HG2 THR 17 -4.735 -0.451 7.872
125 H GLY 18 HN GLY 18 -5.313 -5.189 7.038
126 HA2 GLY 18 2HA GLY 18 -2.521 -5.313 7.048
127 HA3 GLY 18 1HA GLY 18 -3.593 -6.691 7.256
128 H SER 19 HN SER 19 -4.863 -6.682 4.799
129 HA SER 19 HA SER 19 -3.102 -8.147 3.200
130 HB2 SER 19 2HB SER 19 -5.709 -6.852 2.407
131 HB3 SER 19 1HB SER 19 -4.960 -8.269 1.670
132 HG SER 19 HG SER 19 -5.117 -9.172 3.907
133 H CYS 20 HN CYS 20 -4.356 -4.833 2.877
134 HA CYS 20 HA CYS 20 -3.106 -4.229 0.404
135 HB2 CYS 20 2HB CYS 20 -4.993 -2.912 1.237
136 HB3 CYS 20 1HB CYS 20 -4.053 -2.429 2.645
137 H ASP 21 HN ASP 21 -2.280 -3.544 3.750
138 HA ASP 21 HA ASP 21 0.065 -2.113 3.396
139 HB2 ASP 21 2HB ASP 21 -1.144 -2.202 5.494
140 HB3 ASP 21 1HB ASP 21 -0.812 -3.918 5.643
141 H ASP 22 HN ASP 22 -0.479 -5.547 3.836
142 HA ASP 22 HA ASP 22 2.174 -6.453 3.964
143 HB2 ASP 22 2HB ASP 22 0.167 -7.783 4.563
144 HB3 ASP 22 1HB ASP 22 -0.245 -7.885 2.860
145 H HIS 23 HN HIS 23 -0.045 -6.089 1.253
146 HA HIS 23 HA HIS 23 1.521 -7.267 -0.734
147 HB2 HIS 23 2HB HIS 23 -0.882 -6.849 -0.999
148 HB3 HIS 23 1HB HIS 23 -0.606 -5.118 -0.973
149 HD1 HIS 23 1HD HIS 23 -0.498 -8.098 -3.239
150 HD2 HIS 23 2HD HIS 23 0.483 -4.057 -3.344
151 HE1 HIS 23 1HE HIS 23 -0.192 -7.513 -5.670
152 H CYS 24 HN CYS 24 1.219 -3.842 0.184
153 HA CYS 24 HA CYS 24 3.034 -3.074 -1.825
154 HB2 CYS 24 2HB CYS 24 1.933 -1.540 0.517
155 HB3 CYS 24 1HB CYS 24 3.007 -0.835 -0.691
156 H LYS 25 HN LYS 25 3.510 -3.951 1.535
157 HA LYS 25 HA LYS 25 6.196 -2.936 1.419
158 HB2 LYS 25 2HB LYS 25 6.530 -3.940 3.628
159 HB3 LYS 25 1HB LYS 25 5.165 -2.806 3.523
160 HG2 LYS 25 2HG LYS 25 3.647 -4.731 3.485
161 HG3 LYS 25 1HG LYS 25 5.030 -5.813 3.637
162 HD2 LYS 25 2HD LYS 25 3.836 -5.361 5.798
163 HD3 LYS 25 1HD LYS 25 5.551 -4.949 5.824
164 HE2 LYS 25 2HE LYS 25 5.073 -2.613 5.630
165 HE3 LYS 25 1HE LYS 25 3.384 -2.931 5.247
166 HZ1 LYS 25 1HZ LYS 25 3.824 -2.157 7.558
167 HZ2 LYS 25 2HZ LYS 25 4.551 -3.664 7.887
168 HZ3 LYS 25 3HZ LYS 25 2.938 -3.554 7.381
169 H ASN 26 HN ASN 26 4.739 -6.027 1.038
170 HA ASN 26 HA ASN 26 7.390 -7.237 0.823
171 HB2 ASN 26 2HB ASN 26 4.690 -8.558 0.570
172 HB3 ASN 26 1HB ASN 26 6.223 -9.396 0.355
173 HD21 ASN 26 1HD2 ASN 26 4.001 -8.064 2.558
174 HD22 ASN 26 2HD2 ASN 26 4.775 -8.600 4.003
175 H LYS 27 HN LYS 27 4.580 -7.135 -1.373
176 HA LYS 27 HA LYS 27 6.082 -8.152 -3.538
177 HB2 LYS 27 2HB LYS 27 3.740 -8.528 -3.590
178 HB3 LYS 27 1HB LYS 27 3.382 -6.829 -3.361
179 HG2 LYS 27 2HG LYS 27 2.904 -7.564 -5.650
180 HG3 LYS 27 1HG LYS 27 4.150 -6.322 -5.602
181 HD2 LYS 27 2HD LYS 27 5.859 -8.142 -5.771
182 HD3 LYS 27 1HD LYS 27 4.538 -9.288 -6.013
183 HE2 LYS 27 2HE LYS 27 5.485 -8.599 -8.148
184 HE3 LYS 27 1HE LYS 27 3.822 -8.037 -7.989
185 HZ1 LYS 27 1HZ LYS 27 5.220 -6.320 -8.911
186 HZ2 LYS 27 2HZ LYS 27 6.274 -6.367 -7.603
187 HZ3 LYS 27 3HZ LYS 27 4.708 -5.803 -7.393
188 H GLU 28 HN GLU 28 5.001 -4.916 -2.756
189 HA GLU 28 HA GLU 28 6.497 -3.906 -5.027
190 HB2 GLU 28 2HB GLU 28 4.815 -2.447 -3.003
191 HB3 GLU 28 1HB GLU 28 5.579 -1.700 -4.404
192 HG2 GLU 28 2HG GLU 28 3.472 -3.843 -4.439
193 HG3 GLU 28 1HG GLU 28 3.253 -2.141 -4.857
194 H HIS 29 HN HIS 29 7.148 -4.583 -1.867
195 HA HIS 29 HA HIS 29 8.882 -4.262 -0.450
196 HB2 HIS 29 2HB HIS 29 10.124 -4.871 -2.612
197 HB3 HIS 29 1HB HIS 29 10.406 -3.152 -2.831
198 HD1 HIS 29 1HD HIS 29 12.316 -2.096 -1.415
199 HD2 HIS 29 2HD HIS 29 11.525 -6.069 -0.499
200 HE1 HIS 29 1HE HIS 29 14.229 -2.867 0.040
201 H LEU 30 HN LEU 30 6.947 -2.169 -0.808
202 HA LEU 30 HA LEU 30 8.389 0.329 -0.525
203 HB2 LEU 30 2HB LEU 30 5.437 -0.230 -0.209
204 HB3 LEU 30 1HB LEU 30 6.183 1.346 -0.343
205 HG LEU 30 HG LEU 30 5.948 -0.745 -2.491
206 HD11 LEU 30 1HD1 LEU 30 4.739 1.993 -2.223
207 HD12 LEU 30 2HD1 LEU 30 3.898 0.446 -2.116
208 HD13 LEU 30 3HD1 LEU 30 4.615 0.957 -3.642
209 HD21 LEU 30 1HD2 LEU 30 7.337 1.924 -2.587
210 HD22 LEU 30 2HD2 LEU 30 6.966 0.914 -3.983
211 HD23 LEU 30 3HD2 LEU 30 8.082 0.329 -2.745
212 H ARG 31 HN ARG 31 7.313 1.707 1.379
213 HA ARG 31 HA ARG 31 8.336 0.552 3.739
214 HB2 ARG 31 2HB ARG 31 8.412 2.958 3.360
215 HB3 ARG 31 1HB ARG 31 6.659 3.029 3.322
216 HG2 ARG 31 2HG ARG 31 6.566 2.393 5.671
217 HG3 ARG 31 1HG ARG 31 8.326 2.272 5.715
218 HD2 ARG 31 2HD ARG 31 8.501 4.639 5.141
219 HD3 ARG 31 1HD ARG 31 6.747 4.758 5.090
220 HE ARG 31 HE ARG 31 6.750 4.196 7.454
221 HH11 ARG 31 1HH1 ARG 31 9.831 5.360 6.101
222 HH12 ARG 31 2HH1 ARG 31 10.302 6.153 7.535
223 HH21 ARG 31 1HH2 ARG 31 7.487 5.262 9.431
224 HH22 ARG 31 2HH2 ARG 31 8.994 6.094 9.434
225 H SER 32 HN SER 32 5.009 1.473 2.827
226 HA SER 32 HA SER 32 3.907 -0.804 4.150
227 HB2 SER 32 2HB SER 32 3.402 1.964 5.296
228 HB3 SER 32 1HB SER 32 2.528 0.503 5.748
229 HG SER 32 HG SER 32 5.219 0.179 5.902
230 H GLY 33 HN GLY 33 1.465 -0.672 3.994
231 HA2 GLY 33 2HA GLY 33 0.696 0.959 1.668
232 HA3 GLY 33 1HA GLY 33 0.112 -0.685 1.886
233 H ARG 34 HN ARG 34 -1.010 2.295 2.049
234 HA ARG 34 HA ARG 34 -2.379 1.826 4.578
235 HB2 ARG 34 2HB ARG 34 -1.691 4.461 3.275
236 HB3 ARG 34 1HB ARG 34 -2.653 4.283 4.728
237 HG2 ARG 34 2HG ARG 34 0.228 3.404 4.487
238 HG3 ARG 34 1HG ARG 34 -0.277 4.970 5.108
239 HD2 ARG 34 2HD ARG 34 0.187 3.532 6.976
240 HD3 ARG 34 1HD ARG 34 -1.549 3.782 6.894
241 HE ARG 34 HE ARG 34 -0.816 1.412 5.526
242 HH11 ARG 34 1HH1 ARG 34 -1.319 2.643 8.811
243 HH12 ARG 34 2HH1 ARG 34 -1.584 1.093 9.466
244 HH21 ARG 34 1HH2 ARG 34 -1.168 -0.643 6.449
245 HH22 ARG 34 2HH2 ARG 34 -1.479 -0.806 8.131
246 H CYS 35 HN CYS 35 -4.490 2.081 4.669
247 HA CYS 35 HA CYS 35 -5.856 2.077 2.101
248 HB2 CYS 35 2HB CYS 35 -6.836 1.212 4.821
249 HB3 CYS 35 1HB CYS 35 -7.641 0.943 3.276
250 H ARG 36 HN ARG 36 -6.685 3.896 1.558
251 HA ARG 36 HA ARG 36 -7.086 6.059 3.353
252 HB2 ARG 36 2HB ARG 36 -7.590 5.570 0.462
253 HB3 ARG 36 1HB ARG 36 -8.291 6.973 1.243
254 HG2 ARG 36 2HG ARG 36 -5.351 6.363 1.293
255 HG3 ARG 36 1HG ARG 36 -6.128 7.375 0.070
256 HD2 ARG 36 2HD ARG 36 -6.020 7.854 3.037
257 HD3 ARG 36 1HD ARG 36 -5.261 8.801 1.755
258 HE ARG 36 HE ARG 36 -7.861 8.919 1.070
259 HH11 ARG 36 1HH1 ARG 36 -6.141 9.673 4.060
260 HH12 ARG 36 2HH1 ARG 36 -7.361 10.701 4.652
261 HH21 ARG 36 1HH2 ARG 36 -9.484 10.337 1.851
262 HH22 ARG 36 2HH2 ARG 36 -9.323 11.085 3.373
263 H ASP 37 HN ASP 37 -9.160 7.228 3.436
264 HA ASP 37 HA ASP 37 -11.396 5.558 4.069
265 HB2 ASP 37 2HB ASP 37 -11.103 8.554 3.869
266 HB3 ASP 37 1HB ASP 37 -12.654 7.796 4.217
267 H ASP 38 HN ASP 38 -10.157 6.756 1.313
268 HA ASP 38 HA ASP 38 -12.524 6.777 -0.349
269 HB2 ASP 38 2HB ASP 38 -9.624 6.503 -1.188
270 HB3 ASP 38 1HB ASP 38 -10.971 7.061 -2.171
271 H PHE 39 HN PHE 39 -10.664 4.529 1.194
272 HA PHE 39 HA PHE 39 -10.421 2.378 1.276
273 HB2 PHE 39 2HB PHE 39 -12.796 2.307 -0.582
274 HB3 PHE 39 1HB PHE 39 -12.086 0.862 0.138
275 HD1 PHE 39 1HD PHE 39 -14.285 3.659 0.628
276 HD2 PHE 39 2HD PHE 39 -12.028 0.672 2.643
277 HE1 PHE 39 1HE PHE 39 -15.604 4.045 2.666
278 HE2 PHE 39 2HE PHE 39 -13.341 1.047 4.685
279 HZ PHE 39 HZ PHE 39 -15.137 2.745 4.699
280 H ARG 40 HN ARG 40 -9.438 3.993 -1.203
281 HA ARG 40 HA ARG 40 -8.454 1.710 -2.717
282 HB2 ARG 40 2HB ARG 40 -9.233 3.895 -3.820
283 HB3 ARG 40 1HB ARG 40 -7.782 4.638 -3.155
284 HG2 ARG 40 2HG ARG 40 -7.358 4.088 -5.418
285 HG3 ARG 40 1HG ARG 40 -6.455 2.953 -4.414
286 HD2 ARG 40 2HD ARG 40 -8.249 1.284 -4.721
287 HD3 ARG 40 1HD ARG 40 -9.095 2.423 -5.769
288 HE ARG 40 HE ARG 40 -6.429 1.944 -6.591
289 HH11 ARG 40 1HH1 ARG 40 -9.744 0.690 -6.802
290 HH12 ARG 40 2HH1 ARG 40 -9.443 -0.261 -8.175
291 HH21 ARG 40 1HH2 ARG 40 -6.025 0.622 -8.496
292 HH22 ARG 40 2HH2 ARG 40 -7.300 -0.273 -9.178
293 H CYS 41 HN CYS 41 -6.057 1.495 -3.001
294 HA CYS 41 HA CYS 41 -4.801 1.941 -0.446
295 HB2 CYS 41 2HB CYS 41 -4.218 0.093 -2.711
296 HB3 CYS 41 1HB CYS 41 -3.028 0.396 -1.448
297 H TRP 42 HN TRP 42 -3.536 3.472 -0.063
298 HA TRP 42 HA TRP 42 -1.826 4.575 -2.162
299 HB2 TRP 42 2HB TRP 42 -3.372 5.796 0.016
300 HB3 TRP 42 1HB TRP 42 -1.692 6.312 -0.023
301 HD1 TRP 42 1HD TRP 42 -0.904 7.771 -2.131
302 HE1 TRP 42 1HE TRP 42 -2.230 9.217 -3.791
303 HE3 TRP 42 3HE TRP 42 -5.589 5.871 -1.348
304 HZ2 TRP 42 2HZ TRP 42 -4.863 9.526 -4.651
305 HZ3 TRP 42 3HZ TRP 42 -7.467 6.819 -2.647
306 HH2 TRP 42 2HH TRP 42 -7.101 8.596 -4.261
307 H CYS 43 HN CYS 43 0.127 3.795 -1.952
308 HA CYS 43 HA CYS 43 0.879 2.812 0.681
309 HB2 CYS 43 2HB CYS 43 1.762 1.854 -2.041
310 HB3 CYS 43 1HB CYS 43 2.338 1.219 -0.497
311 H THR 44 HN THR 44 2.668 3.466 1.606
312 HA THR 44 HA THR 44 3.909 5.824 0.599
313 HB THR 44 HB THR 44 4.621 4.214 3.056
314 HG1 THR 44 1HG THR 44 2.477 6.132 2.692
315 HG21 THR 44 1HG2 THR 44 5.267 6.403 3.937
316 HG22 THR 44 2HG2 THR 44 4.773 7.172 2.428
317 HG23 THR 44 3HG2 THR 44 6.141 6.056 2.445
318 H LYS 45 HN LYS 45 5.635 5.767 -0.653
319 HA LYS 45 HA LYS 45 7.201 3.308 -0.856
320 HB2 LYS 45 2HB LYS 45 7.636 3.978 -3.186
321 HB3 LYS 45 1HB LYS 45 5.923 3.778 -2.880
322 HG2 LYS 45 2HG LYS 45 5.750 6.244 -2.637
323 HG3 LYS 45 1HG LYS 45 7.437 6.361 -3.108
324 HD2 LYS 45 2HD LYS 45 5.241 5.171 -4.820
325 HD3 LYS 45 1HD LYS 45 5.830 6.818 -4.958
326 HE2 LYS 45 2HE LYS 45 6.897 5.636 -6.689
327 HE3 LYS 45 1HE LYS 45 8.120 5.791 -5.441
328 HZ1 LYS 45 1HZ LYS 45 6.462 3.354 -5.836
329 HZ2 LYS 45 2HZ LYS 45 7.876 3.463 -4.891
330 HZ3 LYS 45 3HZ LYS 45 7.944 3.565 -6.539
331 H ASN 46 HN ASN 46 9.459 3.664 -1.510
332 HA ASN 46 HA ASN 46 10.589 5.884 0.018
333 HB2 ASN 46 2HB ASN 46 11.828 3.298 -0.951
334 HB3 ASN 46 1HB ASN 46 12.670 4.536 -0.034
335 HD21 ASN 46 1HD2 ASN 46 12.014 1.701 0.501
336 HD22 ASN 46 2HD2 ASN 46 11.263 1.696 2.042
337 H CYS 47 HN CYS 47 11.402 7.513 -1.067
338 HA CYS 47 HA CYS 47 12.469 7.024 -3.705
339 HB2 CYS 47 2HB CYS 47 11.581 9.412 -4.226
340 HB3 CYS 47 1HB CYS 47 10.466 8.055 -4.294
Start of MODEL 3
1 H1 LYS 1 1HT LYS 1 13.514 10.180 1.287
2 H2 LYS 1 2HT LYS 1 13.657 11.819 0.904
3 H3 LYS 1 3HT LYS 1 12.771 10.765 -0.096
4 HA LYS 1 HA LYS 1 12.058 11.324 2.692
5 HB2 LYS 1 2HB LYS 1 10.195 12.663 1.741
6 HB3 LYS 1 1HB LYS 1 11.756 13.369 1.371
7 HG2 LYS 1 2HG LYS 1 11.651 12.507 -0.885
8 HG3 LYS 1 1HG LYS 1 10.142 11.679 -0.524
9 HD2 LYS 1 2HD LYS 1 10.501 14.672 -0.361
10 HD3 LYS 1 1HD LYS 1 9.901 13.822 -1.785
11 HE2 LYS 1 2HE LYS 1 8.032 12.936 -0.453
12 HE3 LYS 1 1HE LYS 1 8.630 13.804 0.957
13 HZ1 LYS 1 1HZ LYS 1 7.766 15.122 -1.571
14 HZ2 LYS 1 2HZ LYS 1 8.203 15.878 -0.120
15 HZ3 LYS 1 3HZ LYS 1 6.823 14.938 -0.191
16 H THR 2 HN THR 2 9.475 10.871 2.599
17 HA THR 2 HA THR 2 9.187 8.398 1.126
18 HB THR 2 HB THR 2 7.474 7.873 2.956
19 HG1 THR 2 1HG THR 2 7.604 9.862 4.011
20 HG21 THR 2 1HG2 THR 2 9.211 6.742 4.310
21 HG22 THR 2 2HG2 THR 2 10.436 7.745 3.526
22 HG23 THR 2 3HG2 THR 2 9.497 6.593 2.573
23 H CYS 3 HN CYS 3 7.654 8.358 -0.199
24 HA CYS 3 HA CYS 3 5.635 10.462 -0.080
25 HB2 CYS 3 2HB CYS 3 5.592 10.109 -2.652
26 HB3 CYS 3 1HB CYS 3 6.921 11.033 -1.958
27 H GLU 4 HN GLU 4 3.627 9.702 -1.506
28 HA GLU 4 HA GLU 4 3.259 6.866 -1.063
29 HB2 GLU 4 2HB GLU 4 2.589 8.054 0.992
30 HB3 GLU 4 1HB GLU 4 1.419 8.962 0.045
31 HG2 GLU 4 2HG GLU 4 0.112 7.090 -0.330
32 HG3 GLU 4 1HG GLU 4 1.384 5.984 0.194
33 H ASN 5 HN ASN 5 2.230 5.971 -2.639
34 HA ASN 5 HA ASN 5 0.579 7.584 -4.432
35 HB2 ASN 5 2HB ASN 5 2.852 5.755 -5.268
36 HB3 ASN 5 1HB ASN 5 1.605 6.312 -6.370
37 HD21 ASN 5 1HD2 ASN 5 1.492 9.015 -5.283
38 HD22 ASN 5 2HD2 ASN 5 2.950 9.781 -5.779
39 H LEU 6 HN LEU 6 -0.740 6.176 -5.793
40 HA LEU 6 HA LEU 6 -2.020 4.151 -4.373
41 HB2 LEU 6 2HB LEU 6 -2.052 4.888 -7.270
42 HB3 LEU 6 1HB LEU 6 -2.986 3.544 -6.650
43 HG LEU 6 HG LEU 6 -3.293 6.419 -5.772
44 HD11 LEU 6 1HD1 LEU 6 -5.044 4.631 -7.428
45 HD12 LEU 6 2HD1 LEU 6 -4.110 6.001 -8.059
46 HD13 LEU 6 3HD1 LEU 6 -5.422 6.261 -6.888
47 HD21 LEU 6 1HD2 LEU 6 -5.295 5.529 -4.690
48 HD22 LEU 6 2HD2 LEU 6 -3.803 4.912 -4.006
49 HD23 LEU 6 3HD2 LEU 6 -4.753 3.905 -5.108
50 H ALA 7 HN ALA 7 -1.881 2.066 -4.279
51 HA ALA 7 HA ALA 7 0.413 0.642 -5.055
52 HB1 ALA 7 1HB ALA 7 -0.896 -1.346 -4.421
53 HB2 ALA 7 2HB ALA 7 -2.364 -0.359 -4.421
54 HB3 ALA 7 3HB ALA 7 -1.095 -0.040 -3.243
55 H ASP 8 HN ASP 8 0.857 -0.488 -6.930
56 HA ASP 8 HA ASP 8 -0.802 0.307 -9.162
57 HB2 ASP 8 2HB ASP 8 1.627 0.649 -9.315
58 HB3 ASP 8 1HB ASP 8 1.872 -1.087 -9.156
59 H THR 9 HN THR 9 0.554 -2.713 -7.860
60 HA THR 9 HA THR 9 -1.210 -3.971 -9.758
61 HB THR 9 HB THR 9 -0.071 -6.118 -9.388
62 HG1 THR 9 1HG THR 9 1.704 -4.710 -7.580
63 HG21 THR 9 1HG2 THR 9 2.077 -5.487 -10.336
64 HG22 THR 9 2HG2 THR 9 1.769 -3.802 -9.913
65 HG23 THR 9 3HG2 THR 9 0.745 -4.618 -11.096
66 H TYR 10 HN TYR 10 -1.303 -3.229 -6.520
67 HA TYR 10 HA TYR 10 -3.203 -5.322 -5.895
68 HB2 TYR 10 2HB TYR 10 -1.676 -4.262 -4.135
69 HB3 TYR 10 1HB TYR 10 -2.674 -2.819 -4.266
70 HD1 TYR 10 1HD TYR 10 -2.741 -6.403 -3.381
71 HD2 TYR 10 2HD TYR 10 -4.734 -2.669 -3.061
72 HE1 TYR 10 1HE TYR 10 -4.251 -7.374 -1.727
73 HE2 TYR 10 2HE TYR 10 -6.263 -3.621 -1.398
74 HH TYR 10 HH TYR 10 -5.699 -6.710 0.029
75 H LYS 11 HN LYS 11 -4.818 -5.128 -7.225
76 HA LYS 11 HA LYS 11 -6.028 -2.517 -7.703
77 HB2 LYS 11 2HB LYS 11 -6.401 -5.141 -9.126
78 HB3 LYS 11 1HB LYS 11 -7.055 -3.587 -9.630
79 HG2 LYS 11 2HG LYS 11 -4.832 -2.725 -10.045
80 HG3 LYS 11 1HG LYS 11 -4.112 -4.190 -9.390
81 HD2 LYS 11 2HD LYS 11 -5.842 -4.044 -11.858
82 HD3 LYS 11 1HD LYS 11 -4.083 -4.154 -11.848
83 HE2 LYS 11 2HE LYS 11 -6.018 -6.226 -10.785
84 HE3 LYS 11 1HE LYS 11 -5.073 -6.332 -12.258
85 HZ1 LYS 11 1HZ LYS 11 -3.925 -6.247 -9.500
86 HZ2 LYS 11 2HZ LYS 11 -3.036 -6.364 -10.918
87 HZ3 LYS 11 3HZ LYS 11 -4.068 -7.601 -10.475
88 H GLY 12 HN GLY 12 -7.639 -2.077 -6.409
89 HA2 GLY 12 2HA GLY 12 -10.063 -2.869 -6.336
90 HA3 GLY 12 1HA GLY 12 -9.352 -4.225 -5.457
91 HA PRO 13 HA PRO 13 -10.111 -0.693 -2.522
92 HB2 PRO 13 2HB PRO 13 -12.246 -2.223 -1.306
93 HB3 PRO 13 1HB PRO 13 -12.309 -0.618 -2.026
94 HG2 PRO 13 2HG PRO 13 -13.524 -2.788 -3.137
95 HG3 PRO 13 1HG PRO 13 -12.926 -1.418 -4.093
96 HD2 PRO 13 2HD PRO 13 -11.659 -4.081 -3.587
97 HD3 PRO 13 1HD PRO 13 -11.765 -3.158 -5.105
98 H CYS 14 HN CYS 14 -9.737 -0.744 -0.336
99 HA CYS 14 HA CYS 14 -8.330 -3.084 0.625
100 HB2 CYS 14 2HB CYS 14 -7.163 -0.962 0.711
101 HB3 CYS 14 1HB CYS 14 -8.497 -0.233 1.594
102 H PHE 15 HN PHE 15 -9.507 -4.451 1.722
103 HA PHE 15 HA PHE 15 -11.767 -3.533 3.327
104 HB2 PHE 15 2HB PHE 15 -10.925 -6.340 2.597
105 HB3 PHE 15 1HB PHE 15 -12.443 -5.867 3.355
106 HD1 PHE 15 1HD PHE 15 -10.778 -6.501 0.290
107 HD2 PHE 15 2HD PHE 15 -13.944 -4.247 2.026
108 HE1 PHE 15 1HE PHE 15 -11.771 -6.183 -1.933
109 HE2 PHE 15 2HE PHE 15 -14.937 -3.937 -0.196
110 HZ PHE 15 HZ PHE 15 -13.853 -4.899 -2.172
111 H THR 16 HN THR 16 -8.660 -5.054 3.445
112 HA THR 16 HA THR 16 -8.629 -4.788 6.346
113 HB THR 16 HB THR 16 -7.392 -7.047 4.765
114 HG1 THR 16 1HG THR 16 -9.360 -7.854 4.866
115 HG21 THR 16 1HG2 THR 16 -6.188 -6.522 6.826
116 HG22 THR 16 2HG2 THR 16 -7.005 -8.077 6.980
117 HG23 THR 16 3HG2 THR 16 -7.686 -6.644 7.750
118 H THR 17 HN THR 17 -7.095 -3.286 6.705
119 HA THR 17 HA THR 17 -5.414 -2.447 4.620
120 HB THR 17 HB THR 17 -6.242 -0.856 6.353
121 HG1 THR 17 1HG THR 17 -4.171 -0.636 5.071
122 HG21 THR 17 1HG2 THR 17 -5.026 -0.677 8.498
123 HG22 THR 17 2HG2 THR 17 -4.195 -2.191 8.130
124 HG23 THR 17 3HG2 THR 17 -5.945 -2.170 8.360
125 H GLY 18 HN GLY 18 -4.905 -4.711 7.203
126 HA2 GLY 18 2HA GLY 18 -2.100 -4.876 7.118
127 HA3 GLY 18 1HA GLY 18 -3.185 -6.172 7.603
128 H SER 19 HN SER 19 -4.547 -6.246 5.049
129 HA SER 19 HA SER 19 -2.833 -8.043 3.645
130 HB2 SER 19 2HB SER 19 -5.231 -8.443 3.717
131 HB3 SER 19 1HB SER 19 -5.549 -6.871 2.997
132 HG SER 19 HG SER 19 -4.071 -8.918 1.706
133 H CYS 20 HN CYS 20 -4.069 -4.812 3.126
134 HA CYS 20 HA CYS 20 -3.000 -4.305 0.583
135 HB2 CYS 20 2HB CYS 20 -4.763 -2.951 1.552
136 HB3 CYS 20 1HB CYS 20 -3.717 -2.489 2.887
137 H ASP 21 HN ASP 21 -1.869 -3.560 3.849
138 HA ASP 21 HA ASP 21 0.521 -2.284 3.256
139 HB2 ASP 21 2HB ASP 21 -0.520 -2.188 5.440
140 HB3 ASP 21 1HB ASP 21 -0.305 -3.920 5.650
141 H ASP 22 HN ASP 22 -0.160 -5.673 3.923
142 HA ASP 22 HA ASP 22 2.456 -6.690 3.782
143 HB2 ASP 22 2HB ASP 22 0.481 -7.942 4.594
144 HB3 ASP 22 1HB ASP 22 -0.093 -8.065 2.938
145 H HIS 23 HN HIS 23 -0.028 -6.457 1.243
146 HA HIS 23 HA HIS 23 1.553 -7.545 -0.795
147 HB2 HIS 23 2HB HIS 23 -0.908 -7.352 -0.930
148 HB3 HIS 23 1HB HIS 23 -0.763 -5.605 -1.031
149 HD1 HIS 23 1HD HIS 23 -0.838 -8.639 -3.144
150 HD2 HIS 23 2HD HIS 23 0.461 -4.705 -3.479
151 HE1 HIS 23 1HE HIS 23 -0.604 -8.180 -5.608
152 H CYS 24 HN CYS 24 1.036 -4.159 0.165
153 HA CYS 24 HA CYS 24 2.646 -3.206 -1.899
154 HB2 CYS 24 2HB CYS 24 1.709 -1.858 0.619
155 HB3 CYS 24 1HB CYS 24 2.740 -1.039 -0.557
156 H LYS 25 HN LYS 25 3.525 -4.399 1.218
157 HA LYS 25 HA LYS 25 6.237 -3.447 1.027
158 HB2 LYS 25 2HB LYS 25 4.911 -5.491 2.794
159 HB3 LYS 25 1HB LYS 25 6.620 -5.111 2.887
160 HG2 LYS 25 2HG LYS 25 6.156 -2.876 3.577
161 HG3 LYS 25 1HG LYS 25 4.430 -3.089 3.259
162 HD2 LYS 25 2HD LYS 25 4.263 -4.737 5.008
163 HD3 LYS 25 1HD LYS 25 6.007 -4.686 5.257
164 HE2 LYS 25 2HE LYS 25 5.899 -2.475 6.122
165 HE3 LYS 25 1HE LYS 25 4.217 -2.304 5.617
166 HZ1 LYS 25 1HZ LYS 25 4.492 -2.771 8.014
167 HZ2 LYS 25 2HZ LYS 25 5.091 -4.310 7.635
168 HZ3 LYS 25 3HZ LYS 25 3.525 -3.833 7.156
169 H ASN 26 HN ASN 26 4.613 -6.535 0.582
170 HA ASN 26 HA ASN 26 7.022 -7.932 -0.074
171 HB2 ASN 26 2HB ASN 26 4.140 -8.702 0.041
172 HB3 ASN 26 1HB ASN 26 5.356 -9.788 -0.626
173 HD21 ASN 26 1HD2 ASN 26 3.644 -9.750 1.922
174 HD22 ASN 26 2HD2 ASN 26 4.790 -10.068 3.148
175 H LYS 27 HN LYS 27 4.197 -6.989 -2.018
176 HA LYS 27 HA LYS 27 5.503 -8.075 -4.370
177 HB2 LYS 27 2HB LYS 27 3.153 -8.563 -4.193
178 HB3 LYS 27 1HB LYS 27 2.769 -6.870 -3.929
179 HG2 LYS 27 2HG LYS 27 2.154 -7.471 -6.168
180 HG3 LYS 27 1HG LYS 27 3.528 -6.372 -6.226
181 HD2 LYS 27 2HD LYS 27 4.985 -8.445 -6.402
182 HD3 LYS 27 1HD LYS 27 3.494 -9.344 -6.691
183 HE2 LYS 27 2HE LYS 27 4.612 -7.084 -8.344
184 HE3 LYS 27 1HE LYS 27 4.481 -8.773 -8.806
185 HZ1 LYS 27 1HZ LYS 27 2.184 -6.939 -8.303
186 HZ2 LYS 27 2HZ LYS 27 2.089 -8.572 -8.735
187 HZ3 LYS 27 3HZ LYS 27 2.769 -7.471 -9.804
188 H GLU 28 HN GLU 28 4.219 -4.991 -3.236
189 HA GLU 28 HA GLU 28 5.196 -3.640 -5.572
190 HB2 GLU 28 2HB GLU 28 4.044 -2.445 -3.053
191 HB3 GLU 28 1HB GLU 28 4.310 -1.615 -4.572
192 HG2 GLU 28 2HG GLU 28 2.430 -3.940 -4.226
193 HG3 GLU 28 1HG GLU 28 1.947 -2.244 -4.233
194 H HIS 29 HN HIS 29 6.541 -4.503 -2.607
195 HA HIS 29 HA HIS 29 8.410 -4.000 -1.478
196 HB2 HIS 29 2HB HIS 29 9.283 -3.509 -4.301
197 HB3 HIS 29 1HB HIS 29 10.398 -3.214 -2.971
198 HD1 HIS 29 1HD HIS 29 9.112 -5.896 -5.096
199 HD2 HIS 29 2HD HIS 29 10.871 -5.522 -1.363
200 HE1 HIS 29 1HE HIS 29 9.976 -8.199 -4.509
201 H LEU 30 HN LEU 30 6.553 -2.119 -1.280
202 HA LEU 30 HA LEU 30 8.062 0.366 -1.200
203 HB2 LEU 30 2HB LEU 30 5.105 -0.090 -0.756
204 HB3 LEU 30 1HB LEU 30 5.907 1.460 -0.886
205 HG LEU 30 HG LEU 30 5.450 -0.554 -3.073
206 HD11 LEU 30 1HD1 LEU 30 4.184 1.252 -4.131
207 HD12 LEU 30 2HD1 LEU 30 4.421 2.238 -2.685
208 HD13 LEU 30 3HD1 LEU 30 3.512 0.729 -2.589
209 HD21 LEU 30 1HD2 LEU 30 7.067 2.003 -3.208
210 HD22 LEU 30 2HD2 LEU 30 6.522 1.083 -4.604
211 HD23 LEU 30 3HD2 LEU 30 7.643 0.356 -3.459
212 H ARG 31 HN ARG 31 6.982 1.602 0.924
213 HA ARG 31 HA ARG 31 8.302 0.150 3.025
214 HB2 ARG 31 2HB ARG 31 8.763 2.500 2.820
215 HB3 ARG 31 1HB ARG 31 7.058 2.896 2.956
216 HG2 ARG 31 2HG ARG 31 7.027 2.174 5.252
217 HG3 ARG 31 1HG ARG 31 8.691 1.615 5.130
218 HD2 ARG 31 2HD ARG 31 9.438 3.897 4.735
219 HD3 ARG 31 1HD ARG 31 7.769 4.464 4.814
220 HE ARG 31 HE ARG 31 7.973 3.273 7.149
221 HH11 ARG 31 1HH1 ARG 31 10.316 5.453 5.605
222 HH12 ARG 31 2HH1 ARG 31 10.875 6.092 7.072
223 HH21 ARG 31 1HH2 ARG 31 8.749 4.124 9.112
224 HH22 ARG 31 2HH2 ARG 31 9.950 5.343 9.143
225 H SER 32 HN SER 32 4.979 1.213 2.381
226 HA SER 32 HA SER 32 3.911 -0.735 4.169
227 HB2 SER 32 2HB SER 32 4.640 0.996 5.796
228 HB3 SER 32 1HB SER 32 3.732 2.208 4.901
229 HG SER 32 HG SER 32 2.436 -0.094 5.872
230 H GLY 33 HN GLY 33 1.492 -0.539 4.148
231 HA2 GLY 33 2HA GLY 33 0.555 0.961 1.795
232 HA3 GLY 33 1HA GLY 33 -0.008 -0.666 2.140
233 H ARG 34 HN ARG 34 -0.982 2.423 2.300
234 HA ARG 34 HA ARG 34 -2.488 1.922 4.753
235 HB2 ARG 34 2HB ARG 34 -1.599 4.584 3.637
236 HB3 ARG 34 1HB ARG 34 -2.647 4.391 5.037
237 HG2 ARG 34 2HG ARG 34 -0.734 3.161 6.128
238 HG3 ARG 34 1HG ARG 34 0.260 3.664 4.762
239 HD2 ARG 34 2HD ARG 34 -1.193 5.476 6.692
240 HD3 ARG 34 1HD ARG 34 0.543 5.197 6.641
241 HE ARG 34 HE ARG 34 -0.125 6.135 4.134
242 HH11 ARG 34 1HH1 ARG 34 -0.201 7.406 7.432
243 HH12 ARG 34 2HH1 ARG 34 -0.189 9.042 6.939
244 HH21 ARG 34 1HH2 ARG 34 -0.235 8.312 3.485
245 HH22 ARG 34 2HH2 ARG 34 -0.220 9.589 4.627
246 H CYS 35 HN CYS 35 -4.662 2.478 4.728
247 HA CYS 35 HA CYS 35 -5.755 2.644 2.004
248 HB2 CYS 35 2HB CYS 35 -7.057 1.484 4.478
249 HB3 CYS 35 1HB CYS 35 -7.600 1.331 2.805
250 H ARG 36 HN ARG 36 -6.739 4.427 1.518
251 HA ARG 36 HA ARG 36 -7.261 6.365 3.608
252 HB2 ARG 36 2HB ARG 36 -7.396 6.500 0.626
253 HB3 ARG 36 1HB ARG 36 -7.858 7.870 1.637
254 HG2 ARG 36 2HG ARG 36 -5.474 7.640 2.606
255 HG3 ARG 36 1HG ARG 36 -5.172 6.610 1.215
256 HD2 ARG 36 2HD ARG 36 -4.482 8.901 0.764
257 HD3 ARG 36 1HD ARG 36 -5.810 8.421 -0.295
258 HE ARG 36 HE ARG 36 -6.632 9.738 2.112
259 HH11 ARG 36 1HH1 ARG 36 -5.488 10.390 -1.179
260 HH12 ARG 36 2HH1 ARG 36 -6.345 11.847 -1.319
261 HH21 ARG 36 1HH2 ARG 36 -7.772 11.777 1.911
262 HH22 ARG 36 2HH2 ARG 36 -7.639 12.649 0.448
263 H ASP 37 HN ASP 37 -9.358 7.793 2.999
264 HA ASP 37 HA ASP 37 -11.585 6.095 3.610
265 HB2 ASP 37 2HB ASP 37 -12.874 8.154 3.817
266 HB3 ASP 37 1HB ASP 37 -11.322 8.357 4.615
267 H ASP 38 HN ASP 38 -10.123 6.882 0.843
268 HA ASP 38 HA ASP 38 -12.412 6.817 -0.949
269 HB2 ASP 38 2HB ASP 38 -10.383 8.083 -1.575
270 HB3 ASP 38 1HB ASP 38 -9.429 6.612 -1.464
271 H PHE 39 HN PHE 39 -10.664 4.697 0.892
272 HA PHE 39 HA PHE 39 -10.577 2.546 1.245
273 HB2 PHE 39 2HB PHE 39 -12.702 2.326 -0.887
274 HB3 PHE 39 1HB PHE 39 -12.128 0.956 0.057
275 HD1 PHE 39 1HD PHE 39 -12.428 1.016 2.550
276 HD2 PHE 39 2HD PHE 39 -14.330 3.776 -0.049
277 HE1 PHE 39 1HE PHE 39 -14.060 1.549 4.321
278 HE2 PHE 39 2HE PHE 39 -15.966 4.321 1.704
279 HZ PHE 39 HZ PHE 39 -15.832 3.201 3.899
280 H ARG 40 HN ARG 40 -9.389 3.867 -1.407
281 HA ARG 40 HA ARG 40 -8.314 1.389 -2.464
282 HB2 ARG 40 2HB ARG 40 -9.018 3.035 -4.104
283 HB3 ARG 40 1HB ARG 40 -7.987 4.262 -3.372
284 HG2 ARG 40 2HG ARG 40 -6.990 3.498 -5.379
285 HG3 ARG 40 1HG ARG 40 -6.062 2.906 -4.003
286 HD2 ARG 40 2HD ARG 40 -7.152 0.729 -4.217
287 HD3 ARG 40 1HD ARG 40 -8.029 1.305 -5.636
288 HE ARG 40 HE ARG 40 -5.122 1.370 -5.506
289 HH11 ARG 40 1HH1 ARG 40 -8.081 0.275 -7.140
290 HH12 ARG 40 2HH1 ARG 40 -7.258 -0.333 -8.504
291 HH21 ARG 40 1HH2 ARG 40 -3.973 0.450 -7.466
292 HH22 ARG 40 2HH2 ARG 40 -4.936 -0.216 -8.678
293 H CYS 41 HN CYS 41 -6.044 1.036 -2.609
294 HA CYS 41 HA CYS 41 -4.680 1.729 -0.215
295 HB2 CYS 41 2HB CYS 41 -4.053 -0.055 -2.517
296 HB3 CYS 41 1HB CYS 41 -2.879 0.280 -1.249
297 H TRP 42 HN TRP 42 -3.536 3.395 0.066
298 HA TRP 42 HA TRP 42 -1.862 4.424 -2.087
299 HB2 TRP 42 2HB TRP 42 -3.387 5.728 0.081
300 HB3 TRP 42 1HB TRP 42 -1.730 6.292 -0.053
301 HD1 TRP 42 1HD TRP 42 -1.077 7.614 -2.285
302 HE1 TRP 42 1HE TRP 42 -2.526 8.889 -4.007
303 HE3 TRP 42 3HE TRP 42 -5.665 5.711 -1.090
304 HZ2 TRP 42 2HZ TRP 42 -5.224 9.079 -4.735
305 HZ3 TRP 42 3HZ TRP 42 -7.635 6.500 -2.361
306 HH2 TRP 42 2HH TRP 42 -7.408 8.146 -4.133
307 H CYS 43 HN CYS 43 0.085 3.638 -1.871
308 HA CYS 43 HA CYS 43 0.833 2.731 0.777
309 HB2 CYS 43 2HB CYS 43 1.655 1.656 -1.918
310 HB3 CYS 43 1HB CYS 43 2.220 1.042 -0.357
311 H THR 44 HN THR 44 2.719 3.188 1.630
312 HA THR 44 HA THR 44 3.902 5.662 0.841
313 HB THR 44 HB THR 44 4.769 3.772 3.018
314 HG1 THR 44 1HG THR 44 2.445 5.460 2.919
315 HG21 THR 44 1HG2 THR 44 5.351 5.868 4.172
316 HG22 THR 44 2HG2 THR 44 4.778 6.789 2.780
317 HG23 THR 44 3HG2 THR 44 6.182 5.735 2.624
318 H LYS 45 HN LYS 45 5.744 5.812 -0.296
319 HA LYS 45 HA LYS 45 7.403 3.439 -0.619
320 HB2 LYS 45 2HB LYS 45 7.738 4.140 -3.005
321 HB3 LYS 45 1HB LYS 45 6.116 3.588 -2.605
322 HG2 LYS 45 2HG LYS 45 5.430 5.986 -2.425
323 HG3 LYS 45 1HG LYS 45 7.014 6.419 -3.067
324 HD2 LYS 45 2HD LYS 45 5.009 4.630 -4.463
325 HD3 LYS 45 1HD LYS 45 5.241 6.340 -4.811
326 HE2 LYS 45 2HE LYS 45 7.528 5.907 -5.503
327 HE3 LYS 45 1HE LYS 45 7.352 4.200 -5.092
328 HZ1 LYS 45 1HZ LYS 45 7.128 4.630 -7.453
329 HZ2 LYS 45 2HZ LYS 45 5.770 5.592 -7.219
330 HZ3 LYS 45 3HZ LYS 45 5.739 3.959 -6.836
331 H ASN 46 HN ASN 46 9.598 3.802 -0.915
332 HA ASN 46 HA ASN 46 10.498 6.232 0.361
333 HB2 ASN 46 2HB ASN 46 12.052 3.800 -0.547
334 HB3 ASN 46 1HB ASN 46 12.743 5.166 0.316
335 HD21 ASN 46 1HD2 ASN 46 10.918 2.257 0.565
336 HD22 ASN 46 2HD2 ASN 46 10.813 2.270 2.295
337 H CYS 47 HN CYS 47 11.197 7.936 -0.686
338 HA CYS 47 HA CYS 47 12.354 7.558 -3.288
339 HB2 CYS 47 2HB CYS 47 11.024 9.597 -4.086
340 HB3 CYS 47 1HB CYS 47 10.123 8.102 -3.902
Start of MODEL 4
1 H1 LYS 1 1HT LYS 1 13.323 12.175 -1.937
2 H2 LYS 1 2HT LYS 1 12.255 11.068 -2.614
3 H3 LYS 1 3HT LYS 1 13.285 10.560 -1.386
4 HA LYS 1 HA LYS 1 12.094 12.045 0.143
5 HB2 LYS 1 2HB LYS 1 11.350 13.655 -1.577
6 HB3 LYS 1 1HB LYS 1 10.403 12.410 -2.358
7 HG2 LYS 1 2HG LYS 1 8.971 13.935 -1.160
8 HG3 LYS 1 1HG LYS 1 8.908 12.345 -0.399
9 HD2 LYS 1 2HD LYS 1 10.481 13.124 1.311
10 HD3 LYS 1 1HD LYS 1 10.527 14.709 0.540
11 HE2 LYS 1 2HE LYS 1 8.055 13.405 1.686
12 HE3 LYS 1 1HE LYS 1 9.026 14.620 2.510
13 HZ1 LYS 1 1HZ LYS 1 7.517 15.033 -0.032
14 HZ2 LYS 1 2HZ LYS 1 8.503 16.171 0.714
15 HZ3 LYS 1 3HZ LYS 1 7.121 15.645 1.489
16 H THR 2 HN THR 2 10.352 10.982 1.315
17 HA THR 2 HA THR 2 9.447 8.536 0.040
18 HB THR 2 HB THR 2 8.640 8.091 2.499
19 HG1 THR 2 1HG THR 2 10.802 9.870 2.902
20 HG21 THR 2 1HG2 THR 2 10.800 7.028 3.026
21 HG22 THR 2 2HG2 THR 2 11.558 7.962 1.731
22 HG23 THR 2 3HG2 THR 2 10.317 6.767 1.348
23 H CYS 3 HN CYS 3 7.338 8.287 -0.352
24 HA CYS 3 HA CYS 3 5.520 10.315 0.630
25 HB2 CYS 3 2HB CYS 3 4.727 10.783 -1.723
26 HB3 CYS 3 1HB CYS 3 6.344 11.379 -1.366
27 H GLU 4 HN GLU 4 3.425 9.665 0.644
28 HA GLU 4 HA GLU 4 3.015 6.833 0.236
29 HB2 GLU 4 2HB GLU 4 2.271 8.211 2.276
30 HB3 GLU 4 1HB GLU 4 1.007 8.841 1.227
31 HG2 GLU 4 2HG GLU 4 0.276 6.513 0.834
32 HG3 GLU 4 1HG GLU 4 1.476 5.992 2.000
33 H ASN 5 HN ASN 5 2.437 6.233 -1.683
34 HA ASN 5 HA ASN 5 0.762 7.964 -3.336
35 HB2 ASN 5 2HB ASN 5 3.010 8.466 -4.017
36 HB3 ASN 5 1HB ASN 5 3.437 6.766 -4.055
37 HD21 ASN 5 1HD2 ASN 5 1.802 9.366 -5.704
38 HD22 ASN 5 2HD2 ASN 5 1.635 8.521 -7.199
39 H LEU 6 HN LEU 6 -0.410 6.864 -4.911
40 HA LEU 6 HA LEU 6 -1.686 4.601 -4.144
41 HB2 LEU 6 2HB LEU 6 -1.371 5.822 -6.843
42 HB3 LEU 6 1HB LEU 6 -2.392 4.423 -6.569
43 HG LEU 6 HG LEU 6 -2.735 7.042 -5.109
44 HD11 LEU 6 1HD1 LEU 6 -4.284 5.892 -7.399
45 HD12 LEU 6 2HD1 LEU 6 -3.171 7.270 -7.523
46 HD13 LEU 6 3HD1 LEU 6 -4.631 7.378 -6.524
47 HD21 LEU 6 1HD2 LEU 6 -4.903 6.077 -4.584
48 HD22 LEU 6 2HD2 LEU 6 -3.573 5.149 -3.913
49 HD23 LEU 6 3HD2 LEU 6 -4.404 4.580 -5.366
50 H ALA 7 HN ALA 7 -1.622 2.572 -4.333
51 HA ALA 7 HA ALA 7 0.745 1.172 -4.908
52 HB1 ALA 7 1HB ALA 7 -2.069 0.118 -4.668
53 HB2 ALA 7 2HB ALA 7 -0.972 0.423 -3.326
54 HB3 ALA 7 3HB ALA 7 -0.582 -0.830 -4.514
55 H ASP 8 HN ASP 8 1.464 0.319 -6.724
56 HA ASP 8 HA ASP 8 0.094 1.054 -9.160
57 HB2 ASP 8 2HB ASP 8 2.844 -0.129 -8.741
58 HB3 ASP 8 1HB ASP 8 2.185 0.321 -10.303
59 H THR 9 HN THR 9 1.466 -1.965 -7.776
60 HA THR 9 HA THR 9 0.344 -3.479 -9.899
61 HB THR 9 HB THR 9 1.583 -4.415 -7.318
62 HG1 THR 9 1HG THR 9 3.308 -3.670 -8.035
63 HG21 THR 9 1HG2 THR 9 1.416 -5.623 -10.065
64 HG22 THR 9 2HG2 THR 9 0.450 -6.100 -8.663
65 HG23 THR 9 3HG2 THR 9 2.206 -6.345 -8.654
66 H TYR 10 HN TYR 10 -0.544 -2.696 -6.602
67 HA TYR 10 HA TYR 10 -2.687 -4.631 -6.511
68 HB2 TYR 10 2HB TYR 10 -1.413 -3.769 -4.461
69 HB3 TYR 10 1HB TYR 10 -2.236 -2.237 -4.695
70 HD1 TYR 10 1HD TYR 10 -2.532 -5.658 -3.506
71 HD2 TYR 10 2HD TYR 10 -4.661 -2.060 -4.212
72 HE1 TYR 10 1HE TYR 10 -4.353 -6.468 -2.071
73 HE2 TYR 10 2HE TYR 10 -6.485 -2.845 -2.801
74 HH TYR 10 HH TYR 10 -7.407 -4.898 -1.967
75 H LYS 11 HN LYS 11 -4.050 -4.187 -8.174
76 HA LYS 11 HA LYS 11 -4.874 -1.434 -8.665
77 HB2 LYS 11 2HB LYS 11 -5.359 -3.934 -10.270
78 HB3 LYS 11 1HB LYS 11 -5.775 -2.296 -10.754
79 HG2 LYS 11 2HG LYS 11 -3.426 -1.679 -10.773
80 HG3 LYS 11 1HG LYS 11 -2.982 -3.293 -10.224
81 HD2 LYS 11 2HD LYS 11 -2.656 -3.026 -12.641
82 HD3 LYS 11 1HD LYS 11 -3.880 -4.245 -12.278
83 HE2 LYS 11 2HE LYS 11 -5.639 -2.687 -12.745
84 HE3 LYS 11 1HE LYS 11 -4.470 -1.385 -12.958
85 HZ1 LYS 11 1HZ LYS 11 -3.655 -2.476 -14.932
86 HZ2 LYS 11 2HZ LYS 11 -5.347 -2.399 -15.078
87 HZ3 LYS 11 3HZ LYS 11 -4.604 -3.825 -14.658
88 H GLY 12 HN GLY 12 -5.883 -3.278 -6.531
89 HA2 GLY 12 2HA GLY 12 -8.744 -3.030 -7.206
90 HA3 GLY 12 1HA GLY 12 -8.091 -4.309 -6.186
91 HA PRO 13 HA PRO 13 -9.340 -0.779 -3.397
92 HB2 PRO 13 2HB PRO 13 -11.585 -1.910 -2.371
93 HB3 PRO 13 1HB PRO 13 -11.643 -0.790 -3.735
94 HG2 PRO 13 2HG PRO 13 -11.799 -3.766 -3.688
95 HG3 PRO 13 1HG PRO 13 -12.652 -2.615 -4.730
96 HD2 PRO 13 2HD PRO 13 -10.472 -4.063 -5.545
97 HD3 PRO 13 1HD PRO 13 -10.913 -2.481 -6.213
98 H CYS 14 HN CYS 14 -9.208 -0.967 -1.196
99 HA CYS 14 HA CYS 14 -8.048 -3.465 -0.226
100 HB2 CYS 14 2HB CYS 14 -6.650 -1.523 0.029
101 HB3 CYS 14 1HB CYS 14 -7.964 -0.622 0.773
102 H PHE 15 HN PHE 15 -9.123 -4.650 1.270
103 HA PHE 15 HA PHE 15 -11.542 -3.489 2.403
104 HB2 PHE 15 2HB PHE 15 -10.643 -6.399 2.389
105 HB3 PHE 15 1HB PHE 15 -12.193 -5.791 2.943
106 HD1 PHE 15 1HD PHE 15 -10.292 -6.894 0.091
107 HD2 PHE 15 2HD PHE 15 -13.743 -4.712 1.290
108 HE1 PHE 15 1HE PHE 15 -11.209 -7.106 -2.171
109 HE2 PHE 15 2HE PHE 15 -14.663 -4.923 -0.950
110 HZ PHE 15 HZ PHE 15 -13.402 -6.123 -2.706
111 H THR 16 HN THR 16 -8.901 -5.633 3.391
112 HA THR 16 HA THR 16 -8.986 -4.530 6.107
113 HB THR 16 HB THR 16 -7.453 -6.873 4.962
114 HG1 THR 16 1HG THR 16 -9.703 -7.232 4.976
115 HG21 THR 16 1HG2 THR 16 -7.928 -6.070 7.839
116 HG22 THR 16 2HG2 THR 16 -6.396 -5.965 6.975
117 HG23 THR 16 3HG2 THR 16 -7.110 -7.541 7.316
118 H THR 17 HN THR 17 -7.457 -2.983 6.602
119 HA THR 17 HA THR 17 -5.710 -1.918 4.733
120 HB THR 17 HB THR 17 -5.515 -1.722 7.758
121 HG1 THR 17 1HG THR 17 -7.255 -0.602 7.483
122 HG21 THR 17 1HG2 THR 17 -4.267 0.362 7.350
123 HG22 THR 17 2HG2 THR 17 -4.348 0.076 5.611
124 HG23 THR 17 3HG2 THR 17 -3.422 -1.016 6.640
125 H GLY 18 HN GLY 18 -5.058 -4.293 7.247
126 HA2 GLY 18 2HA GLY 18 -2.277 -4.452 6.937
127 HA3 GLY 18 1HA GLY 18 -3.311 -5.704 7.609
128 H SER 19 HN SER 19 -4.813 -5.679 4.963
129 HA SER 19 HA SER 19 -3.282 -7.810 3.802
130 HB2 SER 19 2HB SER 19 -5.736 -7.973 3.977
131 HB3 SER 19 1HB SER 19 -5.904 -6.558 2.941
132 HG SER 19 HG SER 19 -5.017 -9.148 2.328
133 H CYS 20 HN CYS 20 -4.196 -4.500 2.917
134 HA CYS 20 HA CYS 20 -2.878 -4.721 0.383
135 HB2 CYS 20 2HB CYS 20 -4.786 -3.147 0.728
136 HB3 CYS 20 1HB CYS 20 -3.768 -2.211 1.821
137 H ASP 21 HN ASP 21 -2.147 -3.510 3.595
138 HA ASP 21 HA ASP 21 0.341 -2.353 3.084
139 HB2 ASP 21 2HB ASP 21 -0.794 -2.195 5.273
140 HB3 ASP 21 1HB ASP 21 -0.515 -3.912 5.532
141 H ASP 22 HN ASP 22 -0.556 -5.666 3.851
142 HA ASP 22 HA ASP 22 1.979 -6.888 3.812
143 HB2 ASP 22 2HB ASP 22 -0.114 -7.957 4.615
144 HB3 ASP 22 1HB ASP 22 -0.685 -8.039 2.956
145 H HIS 23 HN HIS 23 -0.288 -6.229 1.160
146 HA HIS 23 HA HIS 23 1.273 -7.515 -0.823
147 HB2 HIS 23 2HB HIS 23 -1.139 -7.003 -1.129
148 HB3 HIS 23 1HB HIS 23 -0.761 -5.289 -1.149
149 HD1 HIS 23 1HD HIS 23 -0.914 -8.283 -3.339
150 HD2 HIS 23 2HD HIS 23 0.631 -4.429 -3.483
151 HE1 HIS 23 1HE HIS 23 -0.549 -7.750 -5.798
152 H CYS 24 HN CYS 24 1.006 -4.085 0.140
153 HA CYS 24 HA CYS 24 2.976 -3.318 -1.682
154 HB2 CYS 24 2HB CYS 24 1.815 -1.839 0.679
155 HB3 CYS 24 1HB CYS 24 3.059 -1.129 -0.352
156 H LYS 25 HN LYS 25 3.255 -4.542 1.534
157 HA LYS 25 HA LYS 25 6.013 -3.918 1.946
158 HB2 LYS 25 2HB LYS 25 4.246 -6.112 3.024
159 HB3 LYS 25 1HB LYS 25 5.911 -5.876 3.524
160 HG2 LYS 25 2HG LYS 25 3.827 -3.760 3.829
161 HG3 LYS 25 1HG LYS 25 4.047 -5.036 5.018
162 HD2 LYS 25 2HD LYS 25 6.461 -4.321 5.156
163 HD3 LYS 25 1HD LYS 25 6.007 -2.911 4.189
164 HE2 LYS 25 2HE LYS 25 4.390 -2.242 5.832
165 HE3 LYS 25 1HE LYS 25 4.678 -3.700 6.770
166 HZ1 LYS 25 1HZ LYS 25 5.784 -1.813 7.727
167 HZ2 LYS 25 2HZ LYS 25 6.629 -1.519 6.291
168 HZ3 LYS 25 3HZ LYS 25 6.937 -2.918 7.185
169 H ASN 26 HN ASN 26 4.304 -6.822 0.834
170 HA ASN 26 HA ASN 26 6.760 -8.263 0.429
171 HB2 ASN 26 2HB ASN 26 3.915 -9.075 -0.111
172 HB3 ASN 26 1HB ASN 26 5.315 -10.129 -0.262
173 HD21 ASN 26 1HD2 ASN 26 2.942 -10.193 1.483
174 HD22 ASN 26 2HD2 ASN 26 3.537 -10.287 3.080
175 H LYS 27 HN LYS 27 4.156 -7.185 -1.763
176 HA LYS 27 HA LYS 27 5.670 -8.249 -3.983
177 HB2 LYS 27 2HB LYS 27 3.206 -8.535 -3.960
178 HB3 LYS 27 1HB LYS 27 3.016 -6.794 -3.984
179 HG2 LYS 27 2HG LYS 27 2.633 -7.765 -6.188
180 HG3 LYS 27 1HG LYS 27 4.033 -6.693 -6.197
181 HD2 LYS 27 2HD LYS 27 5.509 -8.685 -5.975
182 HD3 LYS 27 1HD LYS 27 4.080 -9.716 -6.080
183 HE2 LYS 27 2HE LYS 27 4.992 -7.767 -8.188
184 HE3 LYS 27 1HE LYS 27 5.315 -9.495 -8.212
185 HZ1 LYS 27 1HZ LYS 27 2.559 -8.335 -8.239
186 HZ2 LYS 27 2HZ LYS 27 2.999 -9.950 -8.482
187 HZ3 LYS 27 3HZ LYS 27 3.430 -8.798 -9.595
188 H GLU 28 HN GLU 28 4.497 -5.105 -2.892
189 HA GLU 28 HA GLU 28 5.845 -3.783 -5.061
190 HB2 GLU 28 2HB GLU 28 4.500 -2.566 -2.640
191 HB3 GLU 28 1HB GLU 28 5.071 -1.707 -4.056
192 HG2 GLU 28 2HG GLU 28 2.933 -3.812 -4.153
193 HG3 GLU 28 1HG GLU 28 2.628 -2.079 -4.052
194 H HIS 29 HN HIS 29 6.669 -4.735 -1.891
195 HA HIS 29 HA HIS 29 8.521 -4.569 -0.611
196 HB2 HIS 29 2HB HIS 29 9.795 -3.760 -3.243
197 HB3 HIS 29 1HB HIS 29 10.711 -4.102 -1.779
198 HD1 HIS 29 1HD HIS 29 8.861 -5.795 -4.581
199 HD2 HIS 29 2HD HIS 29 10.836 -6.802 -1.063
200 HE1 HIS 29 1HE HIS 29 9.231 -8.271 -4.687
201 H LEU 30 HN LEU 30 6.767 -2.400 -0.739
202 HA LEU 30 HA LEU 30 8.374 0.019 -0.612
203 HB2 LEU 30 2HB LEU 30 5.420 -0.390 -0.212
204 HB3 LEU 30 1HB LEU 30 6.238 1.154 -0.333
205 HG LEU 30 HG LEU 30 5.949 -0.898 -2.493
206 HD11 LEU 30 1HD1 LEU 30 3.899 0.249 -2.114
207 HD12 LEU 30 2HD1 LEU 30 4.616 0.874 -3.603
208 HD13 LEU 30 3HD1 LEU 30 4.707 1.810 -2.109
209 HD21 LEU 30 1HD2 LEU 30 6.980 0.791 -3.977
210 HD22 LEU 30 2HD2 LEU 30 8.084 0.181 -2.750
211 HD23 LEU 30 3HD2 LEU 30 7.350 1.773 -2.558
212 H ARG 31 HN ARG 31 7.544 1.509 1.317
213 HA ARG 31 HA ARG 31 8.589 0.280 3.638
214 HB2 ARG 31 2HB ARG 31 8.883 2.691 3.252
215 HB3 ARG 31 1HB ARG 31 7.152 2.943 3.380
216 HG2 ARG 31 2HG ARG 31 7.237 2.128 5.703
217 HG3 ARG 31 1HG ARG 31 8.980 1.965 5.549
218 HD2 ARG 31 2HD ARG 31 9.167 4.382 5.185
219 HD3 ARG 31 1HD ARG 31 7.413 4.532 5.336
220 HE ARG 31 HE ARG 31 8.797 3.252 7.516
221 HH11 ARG 31 1HH1 ARG 31 7.504 6.324 6.339
222 HH12 ARG 31 2HH1 ARG 31 7.228 6.962 7.895
223 HH21 ARG 31 1HH2 ARG 31 8.425 4.144 9.632
224 HH22 ARG 31 2HH2 ARG 31 7.794 5.717 9.807
225 H SER 32 HN SER 32 5.295 1.106 2.643
226 HA SER 32 HA SER 32 4.126 -0.937 4.148
227 HB2 SER 32 2HB SER 32 2.785 0.751 5.663
228 HB3 SER 32 1HB SER 32 4.393 0.235 6.163
229 HG SER 32 HG SER 32 3.792 2.693 4.792
230 H GLY 33 HN GLY 33 1.589 -0.474 4.234
231 HA2 GLY 33 2HA GLY 33 0.839 1.085 1.853
232 HA3 GLY 33 1HA GLY 33 0.299 -0.575 2.018
233 H ARG 34 HN ARG 34 -0.960 2.356 2.187
234 HA ARG 34 HA ARG 34 -2.513 1.681 4.555
235 HB2 ARG 34 2HB ARG 34 -1.693 4.404 3.584
236 HB3 ARG 34 1HB ARG 34 -2.904 4.136 4.825
237 HG2 ARG 34 2HG ARG 34 -1.221 3.021 6.216
238 HG3 ARG 34 1HG ARG 34 -0.008 3.326 4.969
239 HD2 ARG 34 2HD ARG 34 0.119 4.971 6.735
240 HD3 ARG 34 1HD ARG 34 -0.357 5.722 5.212
241 HE ARG 34 HE ARG 34 -2.317 4.988 7.270
242 HH11 ARG 34 1HH1 ARG 34 -1.048 7.366 4.977
243 HH12 ARG 34 2HH1 ARG 34 -2.067 8.629 5.481
244 HH21 ARG 34 1HH2 ARG 34 -3.728 6.683 7.969
245 HH22 ARG 34 2HH2 ARG 34 -3.675 8.222 7.231
246 H CYS 35 HN CYS 35 -4.608 1.746 4.449
247 HA CYS 35 HA CYS 35 -5.780 2.126 1.811
248 HB2 CYS 35 2HB CYS 35 -6.921 0.753 4.254
249 HB3 CYS 35 1HB CYS 35 -7.559 0.692 2.608
250 H ARG 36 HN ARG 36 -6.400 4.101 1.573
251 HA ARG 36 HA ARG 36 -7.158 5.839 3.707
252 HB2 ARG 36 2HB ARG 36 -7.349 6.081 0.719
253 HB3 ARG 36 1HB ARG 36 -7.702 7.397 1.830
254 HG2 ARG 36 2HG ARG 36 -5.033 6.006 1.634
255 HG3 ARG 36 1HG ARG 36 -5.440 7.478 0.756
256 HD2 ARG 36 2HD ARG 36 -5.901 8.562 2.949
257 HD3 ARG 36 1HD ARG 36 -5.300 7.109 3.746
258 HE ARG 36 HE ARG 36 -3.123 7.556 2.659
259 HH11 ARG 36 1HH1 ARG 36 -5.375 10.285 2.935
260 HH12 ARG 36 2HH1 ARG 36 -4.137 11.451 2.834
261 HH21 ARG 36 1HH2 ARG 36 -1.566 9.041 2.517
262 HH22 ARG 36 2HH2 ARG 36 -1.832 10.741 2.558
263 H ASP 37 HN ASP 37 -9.299 7.155 3.339
264 HA ASP 37 HA ASP 37 -11.517 5.480 3.816
265 HB2 ASP 37 2HB ASP 37 -11.394 7.765 4.693
266 HB3 ASP 37 1HB ASP 37 -11.403 8.410 3.060
267 H ASP 38 HN ASP 38 -10.150 6.748 1.016
268 HA ASP 38 HA ASP 38 -12.212 6.632 -0.905
269 HB2 ASP 38 2HB ASP 38 -9.257 6.162 -1.272
270 HB3 ASP 38 1HB ASP 38 -10.398 6.587 -2.533
271 H PHE 39 HN PHE 39 -10.548 4.189 0.778
272 HA PHE 39 HA PHE 39 -10.415 1.965 0.762
273 HB2 PHE 39 2HB PHE 39 -12.350 2.011 -1.570
274 HB3 PHE 39 1HB PHE 39 -11.819 0.559 -0.739
275 HD1 PHE 39 1HD PHE 39 -12.181 0.638 1.878
276 HD2 PHE 39 2HD PHE 39 -14.337 2.925 -0.971
277 HE1 PHE 39 1HE PHE 39 -14.039 0.871 3.478
278 HE2 PHE 39 2HE PHE 39 -16.194 3.164 0.617
279 HZ PHE 39 HZ PHE 39 -16.041 2.133 2.845
280 H ARG 40 HN ARG 40 -9.270 3.865 -1.426
281 HA ARG 40 HA ARG 40 -8.008 1.850 -3.090
282 HB2 ARG 40 2HB ARG 40 -8.960 3.913 -4.138
283 HB3 ARG 40 1HB ARG 40 -7.864 4.880 -3.174
284 HG2 ARG 40 2HG ARG 40 -7.076 4.712 -5.415
285 HG3 ARG 40 1HG ARG 40 -5.995 3.845 -4.325
286 HD2 ARG 40 2HD ARG 40 -7.048 1.724 -4.986
287 HD3 ARG 40 1HD ARG 40 -8.093 2.620 -6.100
288 HE ARG 40 HE ARG 40 -6.023 3.367 -7.179
289 HH11 ARG 40 1HH1 ARG 40 -6.228 0.161 -5.621
290 HH12 ARG 40 2HH1 ARG 40 -4.807 -0.406 -6.371
291 HH21 ARG 40 1HH2 ARG 40 -4.124 2.517 -8.242
292 HH22 ARG 40 2HH2 ARG 40 -3.575 0.962 -7.913
293 H CYS 41 HN CYS 41 -5.672 1.691 -3.144
294 HA CYS 41 HA CYS 41 -4.588 2.080 -0.500
295 HB2 CYS 41 2HB CYS 41 -3.701 0.446 -2.831
296 HB3 CYS 41 1HB CYS 41 -2.746 0.633 -1.369
297 H TRP 42 HN TRP 42 -3.374 3.634 -0.007
298 HA TRP 42 HA TRP 42 -1.572 4.803 -1.975
299 HB2 TRP 42 2HB TRP 42 -3.103 5.898 0.338
300 HB3 TRP 42 1HB TRP 42 -1.468 6.495 0.181
301 HD1 TRP 42 1HD TRP 42 -0.964 8.182 -1.749
302 HE1 TRP 42 1HE TRP 42 -2.471 9.570 -3.320
303 HE3 TRP 42 3HE TRP 42 -5.405 5.765 -1.017
304 HZ2 TRP 42 2HZ TRP 42 -5.154 9.646 -4.124
305 HZ3 TRP 42 3HZ TRP 42 -7.397 6.583 -2.217
306 HH2 TRP 42 2HH TRP 42 -7.265 8.473 -3.737
307 H CYS 43 HN CYS 43 0.352 3.824 -1.775
308 HA CYS 43 HA CYS 43 1.002 2.773 0.852
309 HB2 CYS 43 2HB CYS 43 1.906 1.821 -1.872
310 HB3 CYS 43 1HB CYS 43 2.486 1.167 -0.341
311 H THR 44 HN THR 44 3.051 2.942 1.657
312 HA THR 44 HA THR 44 4.209 5.506 1.227
313 HB THR 44 HB THR 44 5.261 3.299 2.959
314 HG1 THR 44 1HG THR 44 3.209 4.992 3.900
315 HG21 THR 44 1HG2 THR 44 4.999 6.288 3.253
316 HG22 THR 44 2HG2 THR 44 6.488 5.400 2.916
317 HG23 THR 44 3HG2 THR 44 5.672 5.211 4.472
318 H LYS 45 HN LYS 45 5.615 5.699 -0.497
319 HA LYS 45 HA LYS 45 7.526 3.521 -0.917
320 HB2 LYS 45 2HB LYS 45 7.355 3.863 -3.325
321 HB3 LYS 45 1HB LYS 45 5.811 3.401 -2.630
322 HG2 LYS 45 2HG LYS 45 5.101 5.758 -2.713
323 HG3 LYS 45 1HG LYS 45 6.637 6.168 -3.474
324 HD2 LYS 45 2HD LYS 45 4.955 5.939 -5.199
325 HD3 LYS 45 1HD LYS 45 6.092 4.603 -5.317
326 HE2 LYS 45 2HE LYS 45 4.543 3.112 -4.206
327 HE3 LYS 45 1HE LYS 45 3.421 4.442 -3.924
328 HZ1 LYS 45 1HZ LYS 45 2.728 3.137 -5.793
329 HZ2 LYS 45 2HZ LYS 45 4.201 3.304 -6.549
330 HZ3 LYS 45 3HZ LYS 45 3.200 4.658 -6.342
331 H ASN 46 HN ASN 46 9.281 4.356 -2.469
332 HA ASN 46 HA ASN 46 10.227 6.880 -1.403
333 HB2 ASN 46 2HB ASN 46 11.632 4.614 -2.831
334 HB3 ASN 46 1HB ASN 46 12.392 6.156 -2.463
335 HD21 ASN 46 1HD2 ASN 46 13.010 6.597 -0.382
336 HD22 ASN 46 2HD2 ASN 46 12.984 5.432 0.873
337 H CYS 47 HN CYS 47 10.568 8.564 -2.673
338 HA CYS 47 HA CYS 47 10.372 8.280 -5.519
339 HB2 CYS 47 2HB CYS 47 8.872 10.377 -5.488
340 HB3 CYS 47 1HB CYS 47 8.117 8.859 -5.029
Start of MODEL 5
1 H1 LYS 1 1HT LYS 1 12.668 12.548 0.168
2 H2 LYS 1 2HT LYS 1 11.278 12.030 -0.694
3 H3 LYS 1 3HT LYS 1 12.479 10.946 -0.343
4 HA LYS 1 HA LYS 1 12.017 11.021 1.977
5 HB2 LYS 1 2HB LYS 1 9.770 12.910 1.178
6 HB3 LYS 1 1HB LYS 1 10.075 12.279 2.783
7 HG2 LYS 1 2HG LYS 1 12.201 13.516 2.837
8 HG3 LYS 1 1HG LYS 1 11.803 14.133 1.230
9 HD2 LYS 1 2HD LYS 1 11.214 15.810 2.860
10 HD3 LYS 1 1HD LYS 1 9.750 15.144 2.146
11 HE2 LYS 1 2HE LYS 1 9.420 15.389 4.515
12 HE3 LYS 1 1HE LYS 1 9.496 13.672 4.144
13 HZ1 LYS 1 1HZ LYS 1 10.771 14.120 6.095
14 HZ2 LYS 1 2HZ LYS 1 11.604 15.356 5.347
15 HZ3 LYS 1 3HZ LYS 1 11.887 13.774 4.877
16 H THR 2 HN THR 2 9.282 10.679 2.560
17 HA THR 2 HA THR 2 8.797 8.474 0.786
18 HB THR 2 HB THR 2 6.894 8.026 2.458
19 HG1 THR 2 1HG THR 2 7.379 10.227 3.472
20 HG21 THR 2 1HG2 THR 2 8.895 6.686 2.166
21 HG22 THR 2 2HG2 THR 2 8.493 6.817 3.885
22 HG23 THR 2 3HG2 THR 2 9.801 7.789 3.192
23 H CYS 3 HN CYS 3 7.375 8.378 -0.647
24 HA CYS 3 HA CYS 3 5.424 10.520 -0.863
25 HB2 CYS 3 2HB CYS 3 5.466 9.826 -3.318
26 HB3 CYS 3 1HB CYS 3 6.926 10.620 -2.730
27 H GLU 4 HN GLU 4 3.466 9.774 -0.268
28 HA GLU 4 HA GLU 4 3.073 6.916 -0.411
29 HB2 GLU 4 2HB GLU 4 2.498 8.421 1.632
30 HB3 GLU 4 1HB GLU 4 1.082 8.879 0.693
31 HG2 GLU 4 2HG GLU 4 0.157 6.784 0.808
32 HG3 GLU 4 1HG GLU 4 1.695 6.001 1.157
33 H ASN 5 HN ASN 5 2.277 6.081 -2.109
34 HA ASN 5 HA ASN 5 0.739 7.731 -4.008
35 HB2 ASN 5 2HB ASN 5 3.010 7.840 -4.732
36 HB3 ASN 5 1HB ASN 5 3.259 6.134 -4.432
37 HD21 ASN 5 1HD2 ASN 5 2.007 8.498 -6.607
38 HD22 ASN 5 2HD2 ASN 5 1.800 7.439 -7.957
39 H LEU 6 HN LEU 6 -0.676 6.584 -5.347
40 HA LEU 6 HA LEU 6 -1.974 4.367 -4.328
41 HB2 LEU 6 2HB LEU 6 -1.967 5.608 -7.036
42 HB3 LEU 6 1HB LEU 6 -2.848 4.130 -6.739
43 HG LEU 6 HG LEU 6 -3.334 6.735 -5.290
44 HD11 LEU 6 1HD1 LEU 6 -5.350 6.824 -6.668
45 HD12 LEU 6 2HD1 LEU 6 -4.837 5.346 -7.492
46 HD13 LEU 6 3HD1 LEU 6 -3.898 6.830 -7.680
47 HD21 LEU 6 1HD2 LEU 6 -5.374 5.610 -4.560
48 HD22 LEU 6 2HD2 LEU 6 -3.944 4.764 -3.980
49 HD23 LEU 6 3HD2 LEU 6 -4.852 4.127 -5.356
50 H ALA 7 HN ALA 7 -1.950 2.317 -4.622
51 HA ALA 7 HA ALA 7 0.262 1.089 -6.040
52 HB1 ALA 7 1HB ALA 7 -0.245 0.383 -3.753
53 HB2 ALA 7 2HB ALA 7 -0.514 -0.960 -4.877
54 HB3 ALA 7 3HB ALA 7 -1.880 -0.033 -4.243
55 H ASP 8 HN ASP 8 -0.230 1.011 -8.204
56 HA ASP 8 HA ASP 8 -2.911 0.409 -9.099
57 HB2 ASP 8 2HB ASP 8 -1.531 1.896 -10.484
58 HB3 ASP 8 1HB ASP 8 -0.330 0.624 -10.682
59 H THR 9 HN THR 9 0.003 -1.288 -8.419
60 HA THR 9 HA THR 9 -0.477 -3.641 -9.829
61 HB THR 9 HB THR 9 1.084 -4.294 -7.760
62 HG1 THR 9 1HG THR 9 2.271 -2.333 -7.261
63 HG21 THR 9 1HG2 THR 9 2.988 -3.611 -9.179
64 HG22 THR 9 2HG2 THR 9 1.905 -2.602 -10.142
65 HG23 THR 9 3HG2 THR 9 1.718 -4.355 -10.147
66 H TYR 10 HN TYR 10 -1.192 -2.511 -6.561
67 HA TYR 10 HA TYR 10 -2.671 -4.933 -6.033
68 HB2 TYR 10 2HB TYR 10 -1.416 -3.823 -4.164
69 HB3 TYR 10 1HB TYR 10 -2.486 -2.433 -4.313
70 HD1 TYR 10 1HD TYR 10 -2.494 -6.076 -3.636
71 HD2 TYR 10 2HD TYR 10 -4.500 -2.379 -3.111
72 HE1 TYR 10 1HE TYR 10 -4.065 -7.163 -2.113
73 HE2 TYR 10 2HE TYR 10 -6.077 -3.425 -1.587
74 HH TYR 10 HH TYR 10 -5.594 -6.642 -0.393
75 H LYS 11 HN LYS 11 -4.062 -4.739 -7.765
76 HA LYS 11 HA LYS 11 -5.771 -2.475 -7.953
77 HB2 LYS 11 2HB LYS 11 -4.773 -3.637 -9.932
78 HB3 LYS 11 1HB LYS 11 -5.740 -5.039 -9.528
79 HG2 LYS 11 2HG LYS 11 -6.680 -3.684 -11.341
80 HG3 LYS 11 1HG LYS 11 -7.758 -3.879 -9.952
81 HD2 LYS 11 2HD LYS 11 -7.769 -1.558 -10.834
82 HD3 LYS 11 1HD LYS 11 -7.221 -1.645 -9.172
83 HE2 LYS 11 2HE LYS 11 -5.795 -0.122 -10.324
84 HE3 LYS 11 1HE LYS 11 -4.877 -1.563 -9.993
85 HZ1 LYS 11 1HZ LYS 11 -6.113 -0.971 -12.640
86 HZ2 LYS 11 2HZ LYS 11 -5.072 -2.253 -12.304
87 HZ3 LYS 11 3HZ LYS 11 -4.521 -0.665 -12.219
88 H GLY 12 HN GLY 12 -7.331 -2.355 -6.549
89 HA2 GLY 12 2HA GLY 12 -9.584 -3.665 -6.468
90 HA3 GLY 12 1HA GLY 12 -8.571 -4.711 -5.472
91 HA PRO 13 HA PRO 13 -9.949 -0.895 -3.027
92 HB2 PRO 13 2HB PRO 13 -12.194 -2.399 -1.925
93 HB3 PRO 13 1HB PRO 13 -12.208 -0.820 -2.702
94 HG2 PRO 13 2HG PRO 13 -13.298 -3.011 -3.858
95 HG3 PRO 13 1HG PRO 13 -12.570 -1.697 -4.798
96 HD2 PRO 13 2HD PRO 13 -11.416 -4.361 -4.056
97 HD3 PRO 13 1HD PRO 13 -11.341 -3.480 -5.601
98 H CYS 14 HN CYS 14 -9.699 -0.759 -0.778
99 HA CYS 14 HA CYS 14 -8.323 -3.002 0.345
100 HB2 CYS 14 2HB CYS 14 -7.368 -0.826 0.710
101 HB3 CYS 14 1HB CYS 14 -8.877 -0.226 1.386
102 H PHE 15 HN PHE 15 -9.742 -4.569 0.791
103 HA PHE 15 HA PHE 15 -12.076 -4.036 2.426
104 HB2 PHE 15 2HB PHE 15 -10.916 -6.676 1.479
105 HB3 PHE 15 1HB PHE 15 -12.470 -6.456 2.268
106 HD1 PHE 15 1HD PHE 15 -10.819 -6.741 -0.820
107 HD2 PHE 15 2HD PHE 15 -14.125 -4.830 1.061
108 HE1 PHE 15 1HE PHE 15 -11.877 -6.425 -3.007
109 HE2 PHE 15 2HE PHE 15 -15.188 -4.511 -1.119
110 HZ PHE 15 HZ PHE 15 -14.067 -5.310 -3.166
111 H THR 16 HN THR 16 -8.865 -5.316 2.601
112 HA THR 16 HA THR 16 -9.019 -5.279 5.515
113 HB THR 16 HB THR 16 -7.456 -7.276 3.849
114 HG1 THR 16 1HG THR 16 -9.464 -7.992 3.643
115 HG21 THR 16 1HG2 THR 16 -8.030 -7.173 6.822
116 HG22 THR 16 2HG2 THR 16 -6.484 -6.802 6.061
117 HG23 THR 16 3HG2 THR 16 -7.127 -8.442 5.994
118 H THR 17 HN THR 17 -7.592 -3.802 6.227
119 HA THR 17 HA THR 17 -5.779 -2.464 4.553
120 HB THR 17 HB THR 17 -5.838 -2.551 7.583
121 HG1 THR 17 1HG THR 17 -7.505 -1.483 5.658
122 HG21 THR 17 1HG2 THR 17 -4.883 -0.278 7.409
123 HG22 THR 17 2HG2 THR 17 -4.867 -0.416 5.653
124 HG23 THR 17 3HG2 THR 17 -3.828 -1.455 6.626
125 H GLY 18 HN GLY 18 -5.472 -5.107 6.824
126 HA2 GLY 18 2HA GLY 18 -2.743 -5.371 7.045
127 HA3 GLY 18 1HA GLY 18 -3.882 -6.709 7.120
128 H SER 19 HN SER 19 -4.843 -6.793 4.497
129 HA SER 19 HA SER 19 -2.656 -8.069 3.251
130 HB2 SER 19 2HB SER 19 -4.384 -8.395 1.382
131 HB3 SER 19 1HB SER 19 -4.751 -9.107 2.953
132 HG SER 19 HG SER 19 -6.538 -8.017 2.140
133 H CYS 20 HN CYS 20 -4.276 -5.021 2.801
134 HA CYS 20 HA CYS 20 -3.056 -4.238 0.383
135 HB2 CYS 20 2HB CYS 20 -4.960 -3.004 1.269
136 HB3 CYS 20 1HB CYS 20 -4.061 -2.595 2.723
137 H ASP 21 HN ASP 21 -2.158 -3.583 3.757
138 HA ASP 21 HA ASP 21 0.273 -2.283 3.253
139 HB2 ASP 21 2HB ASP 21 -0.806 -2.078 5.386
140 HB3 ASP 21 1HB ASP 21 -0.724 -3.803 5.683
141 H ASP 22 HN ASP 22 -0.480 -5.633 3.888
142 HA ASP 22 HA ASP 22 2.121 -6.661 3.989
143 HB2 ASP 22 2HB ASP 22 0.175 -7.904 4.771
144 HB3 ASP 22 1HB ASP 22 -0.442 -7.997 3.130
145 H HIS 23 HN HIS 23 -0.102 -6.316 1.220
146 HA HIS 23 HA HIS 23 1.506 -7.586 -0.684
147 HB2 HIS 23 2HB HIS 23 -0.893 -7.081 -1.020
148 HB3 HIS 23 1HB HIS 23 -0.523 -5.367 -1.066
149 HD1 HIS 23 1HD HIS 23 -0.603 -8.414 -3.186
150 HD2 HIS 23 2HD HIS 23 0.762 -4.497 -3.441
151 HE1 HIS 23 1HE HIS 23 -0.166 -7.992 -5.627
152 H CYS 24 HN CYS 24 1.162 -4.133 0.112
153 HA CYS 24 HA CYS 24 3.091 -3.392 -1.749
154 HB2 CYS 24 2HB CYS 24 1.901 -1.866 0.560
155 HB3 CYS 24 1HB CYS 24 3.123 -1.156 -0.496
156 H LYS 25 HN LYS 25 3.466 -4.448 1.529
157 HA LYS 25 HA LYS 25 6.203 -3.588 1.633
158 HB2 LYS 25 2HB LYS 25 4.594 -5.356 3.458
159 HB3 LYS 25 1HB LYS 25 6.280 -4.931 3.749
160 HG2 LYS 25 2HG LYS 25 5.758 -2.630 3.953
161 HG3 LYS 25 1HG LYS 25 4.122 -2.888 3.358
162 HD2 LYS 25 2HD LYS 25 4.085 -2.552 5.733
163 HD3 LYS 25 1HD LYS 25 3.620 -4.204 5.364
164 HE2 LYS 25 2HE LYS 25 5.817 -4.983 5.985
165 HE3 LYS 25 1HE LYS 25 6.357 -3.332 6.273
166 HZ1 LYS 25 1HZ LYS 25 4.212 -4.749 7.770
167 HZ2 LYS 25 2HZ LYS 25 4.675 -3.153 8.035
168 HZ3 LYS 25 3HZ LYS 25 5.759 -4.408 8.344
169 H ASN 26 HN ASN 26 4.629 -6.708 1.027
170 HA ASN 26 HA ASN 26 7.254 -7.986 0.885
171 HB2 ASN 26 2HB ASN 26 4.502 -9.191 0.643
172 HB3 ASN 26 1HB ASN 26 5.995 -10.111 0.505
173 HD21 ASN 26 1HD2 ASN 26 3.866 -8.431 2.599
174 HD22 ASN 26 2HD2 ASN 26 4.540 -8.960 4.080
175 H LYS 27 HN LYS 27 4.617 -7.257 -1.338
176 HA LYS 27 HA LYS 27 6.091 -8.554 -3.466
177 HB2 LYS 27 2HB LYS 27 3.746 -9.010 -3.475
178 HB3 LYS 27 1HB LYS 27 3.348 -7.305 -3.349
179 HG2 LYS 27 2HG LYS 27 2.919 -8.126 -5.581
180 HG3 LYS 27 1HG LYS 27 4.214 -6.930 -5.594
181 HD2 LYS 27 2HD LYS 27 5.849 -8.813 -5.631
182 HD3 LYS 27 1HD LYS 27 4.492 -9.928 -5.800
183 HE2 LYS 27 2HE LYS 27 5.215 -7.698 -7.707
184 HE3 LYS 27 1HE LYS 27 5.500 -9.411 -7.976
185 HZ1 LYS 27 1HZ LYS 27 3.089 -9.752 -7.927
186 HZ2 LYS 27 2HZ LYS 27 3.558 -8.711 -9.149
187 HZ3 LYS 27 3HZ LYS 27 2.839 -8.089 -7.756
188 H GLU 28 HN GLU 28 4.799 -5.342 -2.750
189 HA GLU 28 HA GLU 28 6.164 -4.216 -5.000
190 HB2 GLU 28 2HB GLU 28 4.775 -2.858 -2.693
191 HB3 GLU 28 1HB GLU 28 5.375 -2.059 -4.135
192 HG2 GLU 28 2HG GLU 28 3.257 -4.184 -4.134
193 HG3 GLU 28 1HG GLU 28 2.954 -2.447 -4.196
194 H HIS 29 HN HIS 29 6.946 -4.905 -1.786
195 HA HIS 29 HA HIS 29 8.726 -4.627 -0.447
196 HB2 HIS 29 2HB HIS 29 10.109 -3.965 -3.063
197 HB3 HIS 29 1HB HIS 29 10.965 -4.122 -1.534
198 HD1 HIS 29 1HD HIS 29 9.679 -6.121 -4.360
199 HD2 HIS 29 2HD HIS 29 10.834 -6.782 -0.419
200 HE1 HIS 29 1HE HIS 29 10.063 -8.589 -4.158
201 H LEU 30 HN LEU 30 6.919 -2.497 -0.795
202 HA LEU 30 HA LEU 30 8.463 -0.052 -0.627
203 HB2 LEU 30 2HB LEU 30 5.496 -0.490 -0.286
204 HB3 LEU 30 1HB LEU 30 6.302 1.051 -0.472
205 HG LEU 30 HG LEU 30 6.066 -1.102 -2.546
206 HD11 LEU 30 1HD1 LEU 30 4.668 0.539 -3.733
207 HD12 LEU 30 2HD1 LEU 30 4.753 1.598 -2.323
208 HD13 LEU 30 3HD1 LEU 30 3.977 0.023 -2.199
209 HD21 LEU 30 1HD2 LEU 30 7.356 1.614 -2.726
210 HD22 LEU 30 2HD2 LEU 30 7.054 0.543 -4.091
211 HD23 LEU 30 3HD2 LEU 30 8.167 0.052 -2.817
212 H ARG 31 HN ARG 31 7.449 1.413 1.210
213 HA ARG 31 HA ARG 31 8.413 0.284 3.621
214 HB2 ARG 31 2HB ARG 31 8.861 2.584 3.132
215 HB3 ARG 31 1HB ARG 31 7.150 2.948 3.006
216 HG2 ARG 31 2HG ARG 31 6.855 2.602 5.363
217 HG3 ARG 31 1HG ARG 31 8.528 2.072 5.533
218 HD2 ARG 31 2HD ARG 31 9.321 4.254 4.891
219 HD3 ARG 31 1HD ARG 31 7.674 4.801 4.576
220 HE ARG 31 HE ARG 31 7.719 3.906 7.158
221 HH11 ARG 31 1HH1 ARG 31 9.567 6.387 5.438
222 HH12 ARG 31 2HH1 ARG 31 9.503 7.522 6.704
223 HH21 ARG 31 1HH2 ARG 31 7.729 5.419 8.939
224 HH22 ARG 31 2HH2 ARG 31 8.470 6.947 8.756
225 H SER 32 HN SER 32 5.119 1.198 2.550
226 HA SER 32 HA SER 32 3.963 -0.706 4.331
227 HB2 SER 32 2HB SER 32 4.488 1.218 5.891
228 HB3 SER 32 1HB SER 32 3.464 2.249 4.902
229 HG SER 32 HG SER 32 2.335 -0.132 5.870
230 H GLY 33 HN GLY 33 1.524 -0.633 4.055
231 HA2 GLY 33 2HA GLY 33 0.724 0.772 1.598
232 HA3 GLY 33 1HA GLY 33 0.200 -0.874 1.920
233 H ARG 34 HN ARG 34 -0.992 2.137 1.967
234 HA ARG 34 HA ARG 34 -2.415 1.652 4.461
235 HB2 ARG 34 2HB ARG 34 -1.343 4.283 3.460
236 HB3 ARG 34 1HB ARG 34 -2.414 4.105 4.851
237 HG2 ARG 34 2HG ARG 34 -0.786 2.710 5.963
238 HG3 ARG 34 1HG ARG 34 0.272 2.794 4.565
239 HD2 ARG 34 2HD ARG 34 0.552 5.173 4.914
240 HD3 ARG 34 1HD ARG 34 -0.562 5.112 6.287
241 HE ARG 34 HE ARG 34 1.122 3.340 7.095
242 HH11 ARG 34 1HH1 ARG 34 2.005 6.303 5.364
243 HH12 ARG 34 2HH1 ARG 34 3.464 6.518 6.228
244 HH21 ARG 34 1HH2 ARG 34 3.168 3.598 8.180
245 HH22 ARG 34 2HH2 ARG 34 4.151 4.949 7.820
246 H CYS 35 HN CYS 35 -4.487 1.948 4.521
247 HA CYS 35 HA CYS 35 -5.841 2.346 1.977
248 HB2 CYS 35 2HB CYS 35 -6.923 1.402 4.636
249 HB3 CYS 35 1HB CYS 35 -7.738 1.321 3.074
250 H ARG 36 HN ARG 36 -6.441 4.261 1.554
251 HA ARG 36 HA ARG 36 -6.776 6.222 3.664
252 HB2 ARG 36 2HB ARG 36 -6.823 6.427 0.676
253 HB3 ARG 36 1HB ARG 36 -7.058 7.804 1.751
254 HG2 ARG 36 2HG ARG 36 -4.593 6.079 1.645
255 HG3 ARG 36 1HG ARG 36 -4.763 7.647 0.849
256 HD2 ARG 36 2HD ARG 36 -5.240 8.612 3.118
257 HD3 ARG 36 1HD ARG 36 -4.799 7.050 3.799
258 HE ARG 36 HE ARG 36 -2.557 7.388 2.963
259 HH11 ARG 36 1HH1 ARG 36 -4.648 10.249 2.803
260 HH12 ARG 36 2HH1 ARG 36 -3.359 11.343 2.919
261 HH21 ARG 36 1HH2 ARG 36 -0.861 8.830 3.061
262 HH22 ARG 36 2HH2 ARG 36 -1.085 10.530 3.023
263 H ASP 37 HN ASP 37 -8.611 7.855 3.115
264 HA ASP 37 HA ASP 37 -11.009 6.915 3.999
265 HB2 ASP 37 2HB ASP 37 -10.434 9.240 4.039
266 HB3 ASP 37 1HB ASP 37 -10.444 9.319 2.283
267 H ASP 38 HN ASP 38 -10.031 7.196 0.657
268 HA ASP 38 HA ASP 38 -12.670 6.506 -0.321
269 HB2 ASP 38 2HB ASP 38 -10.087 7.000 -1.788
270 HB3 ASP 38 1HB ASP 38 -11.584 6.539 -2.586
271 H PHE 39 HN PHE 39 -10.569 4.636 1.130
272 HA PHE 39 HA PHE 39 -10.213 2.452 1.271
273 HB2 PHE 39 2HB PHE 39 -12.499 2.276 -0.701
274 HB3 PHE 39 1HB PHE 39 -11.727 0.854 -0.005
275 HD1 PHE 39 1HD PHE 39 -13.853 3.759 0.667
276 HD2 PHE 39 2HD PHE 39 -12.056 0.268 2.283
277 HE1 PHE 39 1HE PHE 39 -15.291 3.941 2.639
278 HE2 PHE 39 2HE PHE 39 -13.496 0.442 4.274
279 HZ PHE 39 HZ PHE 39 -15.115 2.285 4.456
280 H ARG 40 HN ARG 40 -8.997 4.159 -0.825
281 HA ARG 40 HA ARG 40 -8.002 2.102 -2.628
282 HB2 ARG 40 2HB ARG 40 -7.721 5.075 -2.578
283 HB3 ARG 40 1HB ARG 40 -6.486 4.124 -3.374
284 HG2 ARG 40 2HG ARG 40 -7.990 4.864 -5.034
285 HG3 ARG 40 1HG ARG 40 -8.272 3.144 -4.778
286 HD2 ARG 40 2HD ARG 40 -10.220 3.690 -3.387
287 HD3 ARG 40 1HD ARG 40 -9.905 5.400 -3.643
288 HE ARG 40 HE ARG 40 -10.069 4.310 -6.135
289 HH11 ARG 40 1HH1 ARG 40 -12.290 4.462 -3.358
290 HH12 ARG 40 2HH1 ARG 40 -13.681 4.622 -4.329
291 HH21 ARG 40 1HH2 ARG 40 -12.035 4.505 -7.434
292 HH22 ARG 40 2HH2 ARG 40 -13.537 4.648 -6.640
293 H CYS 41 HN CYS 41 -5.834 1.647 -2.776
294 HA CYS 41 HA CYS 41 -4.465 1.880 -0.257
295 HB2 CYS 41 2HB CYS 41 -4.059 0.119 -2.642
296 HB3 CYS 41 1HB CYS 41 -2.839 0.262 -1.379
297 H TRP 42 HN TRP 42 -3.450 3.623 -0.003
298 HA TRP 42 HA TRP 42 -1.669 4.602 -2.088
299 HB2 TRP 42 2HB TRP 42 -3.174 5.861 0.124
300 HB3 TRP 42 1HB TRP 42 -1.510 6.393 0.012
301 HD1 TRP 42 1HD TRP 42 -0.813 7.733 -2.204
302 HE1 TRP 42 1HE TRP 42 -2.196 9.155 -3.836
303 HE3 TRP 42 3HE TRP 42 -5.499 6.066 -1.000
304 HZ2 TRP 42 2HZ TRP 42 -4.889 9.551 -4.506
305 HZ3 TRP 42 3HZ TRP 42 -7.425 7.054 -2.185
306 HH2 TRP 42 2HH TRP 42 -7.117 8.744 -3.896
307 H CYS 43 HN CYS 43 0.142 3.525 -1.905
308 HA CYS 43 HA CYS 43 0.929 2.606 0.727
309 HB2 CYS 43 2HB CYS 43 1.875 1.731 -2.006
310 HB3 CYS 43 1HB CYS 43 2.454 1.068 -0.478
311 H THR 44 HN THR 44 2.847 3.006 1.614
312 HA THR 44 HA THR 44 3.952 5.564 1.031
313 HB THR 44 HB THR 44 4.951 3.540 3.010
314 HG1 THR 44 1HG THR 44 2.684 5.267 3.425
315 HG21 THR 44 1HG2 THR 44 5.329 5.574 4.364
316 HG22 THR 44 2HG2 THR 44 4.674 6.553 3.048
317 HG23 THR 44 3HG2 THR 44 6.171 5.655 2.817
318 H LYS 45 HN LYS 45 5.410 5.644 -0.653
319 HA LYS 45 HA LYS 45 7.420 3.562 -0.672
320 HB2 LYS 45 2HB LYS 45 7.616 3.918 -3.143
321 HB3 LYS 45 1HB LYS 45 6.087 3.231 -2.624
322 HG2 LYS 45 2HG LYS 45 5.060 5.467 -2.852
323 HG3 LYS 45 1HG LYS 45 6.596 6.076 -3.463
324 HD2 LYS 45 2HD LYS 45 5.137 5.592 -5.337
325 HD3 LYS 45 1HD LYS 45 6.460 4.434 -5.324
326 HE2 LYS 45 2HE LYS 45 5.013 2.743 -4.326
327 HE3 LYS 45 1HE LYS 45 3.690 3.902 -4.220
328 HZ1 LYS 45 1HZ LYS 45 3.476 2.406 -6.141
329 HZ2 LYS 45 2HZ LYS 45 4.954 2.948 -6.729
330 HZ3 LYS 45 3HZ LYS 45 3.653 4.011 -6.636
331 H ASN 46 HN ASN 46 9.407 4.431 -1.999
332 HA ASN 46 HA ASN 46 10.180 6.834 -0.530
333 HB2 ASN 46 2HB ASN 46 11.843 4.581 -1.666
334 HB3 ASN 46 1HB ASN 46 12.535 6.066 -1.031
335 HD21 ASN 46 1HD2 ASN 46 12.803 3.272 -0.132
336 HD22 ASN 46 2HD2 ASN 46 12.322 3.287 1.516
337 H CYS 47 HN CYS 47 10.484 8.621 -1.557
338 HA CYS 47 HA CYS 47 11.311 8.502 -4.358
339 HB2 CYS 47 2HB CYS 47 9.360 10.433 -3.062
340 HB3 CYS 47 1HB CYS 47 10.114 10.746 -4.619
Start of MODEL 6
1 H1 LYS 1 1HT LYS 1 12.736 10.871 0.888
2 H2 LYS 1 2HT LYS 1 13.115 10.013 2.279
3 H3 LYS 1 3HT LYS 1 13.383 11.677 2.239
4 HA LYS 1 HA LYS 1 11.417 11.044 3.513
5 HB2 LYS 1 2HB LYS 1 10.902 12.507 0.933
6 HB3 LYS 1 1HB LYS 1 9.724 12.418 2.230
7 HG2 LYS 1 2HG LYS 1 11.342 13.523 3.713
8 HG3 LYS 1 1HG LYS 1 12.440 13.638 2.334
9 HD2 LYS 1 2HD LYS 1 10.776 14.970 1.119
10 HD3 LYS 1 1HD LYS 1 9.676 14.811 2.485
11 HE2 LYS 1 2HE LYS 1 11.230 16.027 3.902
12 HE3 LYS 1 1HE LYS 1 12.361 16.184 2.555
13 HZ1 LYS 1 1HZ LYS 1 9.626 17.350 2.692
14 HZ2 LYS 1 2HZ LYS 1 10.680 17.510 1.389
15 HZ3 LYS 1 3HZ LYS 1 11.077 18.183 2.878
16 H THR 2 HN THR 2 8.932 10.842 2.709
17 HA THR 2 HA THR 2 8.841 8.320 1.248
18 HB THR 2 HB THR 2 6.776 7.931 2.792
19 HG1 THR 2 1HG THR 2 6.568 9.294 4.384
20 HG21 THR 2 1HG2 THR 2 9.605 7.742 3.845
21 HG22 THR 2 2HG2 THR 2 8.812 6.561 2.806
22 HG23 THR 2 3HG2 THR 2 8.224 6.825 4.448
23 H CYS 3 HN CYS 3 7.076 7.961 -0.064
24 HA CYS 3 HA CYS 3 5.371 10.293 -0.609
25 HB2 CYS 3 2HB CYS 3 6.522 8.328 -2.589
26 HB3 CYS 3 1HB CYS 3 5.491 9.699 -2.967
27 H GLU 4 HN GLU 4 3.290 9.802 -0.415
28 HA GLU 4 HA GLU 4 2.441 7.040 -0.176
29 HB2 GLU 4 2HB GLU 4 1.754 8.857 1.421
30 HB3 GLU 4 1HB GLU 4 0.921 9.646 0.097
31 HG2 GLU 4 2HG GLU 4 -0.593 7.806 -0.089
32 HG3 GLU 4 1HG GLU 4 0.266 6.922 1.184
33 H ASN 5 HN ASN 5 2.007 6.045 -2.084
34 HA ASN 5 HA ASN 5 0.636 7.545 -4.220
35 HB2 ASN 5 2HB ASN 5 3.057 7.533 -4.720
36 HB3 ASN 5 1HB ASN 5 3.086 5.785 -4.559
37 HD21 ASN 5 1HD2 ASN 5 2.261 4.513 -6.246
38 HD22 ASN 5 2HD2 ASN 5 1.902 5.159 -7.785
39 H LEU 6 HN LEU 6 -0.633 6.206 -5.612
40 HA LEU 6 HA LEU 6 -1.902 4.088 -4.312
41 HB2 LEU 6 2HB LEU 6 -2.006 5.028 -7.151
42 HB3 LEU 6 1HB LEU 6 -2.951 3.670 -6.581
43 HG LEU 6 HG LEU 6 -3.148 6.458 -5.430
44 HD11 LEU 6 1HD1 LEU 6 -4.977 4.989 -7.310
45 HD12 LEU 6 2HD1 LEU 6 -3.942 6.352 -7.750
46 HD13 LEU 6 3HD1 LEU 6 -5.261 6.571 -6.591
47 HD21 LEU 6 1HD2 LEU 6 -4.772 3.965 -5.072
48 HD22 LEU 6 2HD2 LEU 6 -5.195 5.558 -4.450
49 HD23 LEU 6 3HD2 LEU 6 -3.757 4.739 -3.853
50 H ALA 7 HN ALA 7 -1.850 2.017 -4.394
51 HA ALA 7 HA ALA 7 0.486 0.653 -5.279
52 HB1 ALA 7 1HB ALA 7 -0.780 -0.036 -3.310
53 HB2 ALA 7 2HB ALA 7 -0.699 -1.352 -4.489
54 HB3 ALA 7 3HB ALA 7 -2.176 -0.394 -4.322
55 H ASP 8 HN ASP 8 0.713 -0.705 -7.063
56 HA ASP 8 HA ASP 8 -1.273 -0.139 -9.136
57 HB2 ASP 8 2HB ASP 8 0.945 0.640 -9.712
58 HB3 ASP 8 1HB ASP 8 1.616 -0.958 -9.404
59 H THR 9 HN THR 9 0.711 -2.842 -7.852
60 HA THR 9 HA THR 9 -0.582 -4.663 -9.584
61 HB THR 9 HB THR 9 0.981 -5.370 -7.103
62 HG1 THR 9 1HG THR 9 2.458 -4.244 -8.001
63 HG21 THR 9 1HG2 THR 9 1.618 -7.276 -8.450
64 HG22 THR 9 2HG2 THR 9 0.697 -6.617 -9.812
65 HG23 THR 9 3HG2 THR 9 -0.145 -7.145 -8.349
66 H TYR 10 HN TYR 10 -1.313 -3.307 -6.526
67 HA TYR 10 HA TYR 10 -2.979 -5.426 -5.579
68 HB2 TYR 10 2HB TYR 10 -1.963 -3.759 -4.032
69 HB3 TYR 10 1HB TYR 10 -2.950 -2.502 -4.767
70 HD1 TYR 10 1HD TYR 10 -2.935 -5.375 -2.494
71 HD2 TYR 10 2HD TYR 10 -5.347 -2.381 -4.301
72 HE1 TYR 10 1HE TYR 10 -4.713 -5.842 -0.872
73 HE2 TYR 10 2HE TYR 10 -7.137 -2.833 -2.704
74 HH TYR 10 HH TYR 10 -7.893 -4.509 -1.246
75 H LYS 11 HN LYS 11 -5.019 -5.813 -6.111
76 HA LYS 11 HA LYS 11 -6.396 -3.874 -7.840
77 HB2 LYS 11 2HB LYS 11 -6.507 -6.874 -7.808
78 HB3 LYS 11 1HB LYS 11 -7.544 -5.854 -8.793
79 HG2 LYS 11 2HG LYS 11 -5.703 -5.063 -10.070
80 HG3 LYS 11 1HG LYS 11 -4.546 -5.803 -8.965
81 HD2 LYS 11 2HD LYS 11 -6.532 -7.309 -10.660
82 HD3 LYS 11 1HD LYS 11 -4.831 -7.079 -11.070
83 HE2 LYS 11 2HE LYS 11 -4.272 -8.179 -8.866
84 HE3 LYS 11 1HE LYS 11 -5.978 -8.585 -8.718
85 HZ1 LYS 11 1HZ LYS 11 -4.716 -10.403 -9.639
86 HZ2 LYS 11 2HZ LYS 11 -4.170 -9.439 -10.890
87 HZ3 LYS 11 3HZ LYS 11 -5.817 -9.830 -10.780
88 H GLY 12 HN GLY 12 -8.432 -3.338 -7.353
89 HA2 GLY 12 2HA GLY 12 -10.550 -3.670 -6.425
90 HA3 GLY 12 1HA GLY 12 -9.863 -4.862 -5.327
91 HA PRO 13 HA PRO 13 -10.087 -0.869 -3.013
92 HB2 PRO 13 2HB PRO 13 -12.194 -1.846 -1.354
93 HB3 PRO 13 1HB PRO 13 -12.292 -0.551 -2.543
94 HG2 PRO 13 2HG PRO 13 -13.575 -3.010 -2.738
95 HG3 PRO 13 1HG PRO 13 -13.279 -1.901 -4.084
96 HD2 PRO 13 2HD PRO 13 -11.786 -4.357 -3.279
97 HD3 PRO 13 1HD PRO 13 -12.116 -3.719 -4.904
98 H CYS 14 HN CYS 14 -9.698 -0.645 -0.711
99 HA CYS 14 HA CYS 14 -8.211 -2.889 0.328
100 HB2 CYS 14 2HB CYS 14 -7.154 -0.733 0.498
101 HB3 CYS 14 1HB CYS 14 -8.557 -0.068 1.332
102 H PHE 15 HN PHE 15 -9.423 -4.392 1.234
103 HA PHE 15 HA PHE 15 -11.682 -3.651 2.901
104 HB2 PHE 15 2HB PHE 15 -10.560 -6.398 2.281
105 HB3 PHE 15 1HB PHE 15 -12.103 -6.047 3.047
106 HD1 PHE 15 1HD PHE 15 -10.516 -6.830 0.021
107 HD2 PHE 15 2HD PHE 15 -13.707 -4.530 1.633
108 HE1 PHE 15 1HE PHE 15 -11.595 -6.788 -2.180
109 HE2 PHE 15 2HE PHE 15 -14.797 -4.491 -0.563
110 HZ PHE 15 HZ PHE 15 -13.740 -5.622 -2.475
111 H THR 16 HN THR 16 -8.732 -5.586 3.121
112 HA THR 16 HA THR 16 -8.629 -5.100 6.002
113 HB THR 16 HB THR 16 -7.099 -7.132 4.389
114 HG1 THR 16 1HG THR 16 -9.731 -7.074 5.237
115 HG21 THR 16 1HG2 THR 16 -6.240 -6.666 6.642
116 HG22 THR 16 2HG2 THR 16 -6.914 -8.293 6.560
117 HG23 THR 16 3HG2 THR 16 -7.830 -6.999 7.327
118 H THR 17 HN THR 17 -7.326 -3.408 6.390
119 HA THR 17 HA THR 17 -5.567 -2.366 4.487
120 HB THR 17 HB THR 17 -6.556 -0.914 6.209
121 HG1 THR 17 1HG THR 17 -4.034 -0.916 5.418
122 HG21 THR 17 1HG2 THR 17 -6.439 -2.418 8.152
123 HG22 THR 17 2HG2 THR 17 -5.646 -0.884 8.508
124 HG23 THR 17 3HG2 THR 17 -4.680 -2.309 8.132
125 H GLY 18 HN GLY 18 -5.061 -4.639 7.060
126 HA2 GLY 18 2HA GLY 18 -2.265 -4.599 7.150
127 HA3 GLY 18 1HA GLY 18 -3.302 -5.950 7.599
128 H SER 19 HN SER 19 -4.516 -6.422 5.110
129 HA SER 19 HA SER 19 -2.513 -7.971 3.855
130 HB2 SER 19 2HB SER 19 -5.288 -7.275 2.881
131 HB3 SER 19 1HB SER 19 -4.285 -8.617 2.320
132 HG SER 19 HG SER 19 -4.286 -9.287 4.601
133 H CYS 20 HN CYS 20 -4.110 -4.926 3.081
134 HA CYS 20 HA CYS 20 -2.959 -4.459 0.566
135 HB2 CYS 20 2HB CYS 20 -4.814 -3.112 1.358
136 HB3 CYS 20 1HB CYS 20 -3.879 -2.566 2.743
137 H ASP 21 HN ASP 21 -1.931 -3.540 3.822
138 HA ASP 21 HA ASP 21 0.448 -2.220 3.234
139 HB2 ASP 21 2HB ASP 21 -0.567 -2.065 5.407
140 HB3 ASP 21 1HB ASP 21 -0.456 -3.802 5.639
141 H ASP 22 HN ASP 22 -0.179 -5.586 3.978
142 HA ASP 22 HA ASP 22 2.459 -6.536 3.837
143 HB2 ASP 22 2HB ASP 22 0.601 -7.799 4.831
144 HB3 ASP 22 1HB ASP 22 -0.104 -8.005 3.239
145 H HIS 23 HN HIS 23 -0.056 -6.277 1.341
146 HA HIS 23 HA HIS 23 1.388 -7.563 -0.700
147 HB2 HIS 23 2HB HIS 23 -1.050 -7.182 -0.865
148 HB3 HIS 23 1HB HIS 23 -0.780 -5.447 -0.936
149 HD1 HIS 23 1HD HIS 23 -0.778 -8.526 -3.102
150 HD2 HIS 23 2HD HIS 23 0.249 -4.505 -3.388
151 HE1 HIS 23 1HE HIS 23 -0.497 -8.063 -5.526
152 H CYS 24 HN CYS 24 1.113 -4.145 0.191
153 HA CYS 24 HA CYS 24 2.799 -3.362 -1.879
154 HB2 CYS 24 2HB CYS 24 1.895 -1.882 0.573
155 HB3 CYS 24 1HB CYS 24 2.931 -1.151 -0.658
156 H LYS 25 HN LYS 25 3.531 -4.412 1.348
157 HA LYS 25 HA LYS 25 6.267 -3.596 1.232
158 HB2 LYS 25 2HB LYS 25 4.809 -5.595 2.946
159 HB3 LYS 25 1HB LYS 25 6.536 -5.306 3.094
160 HG2 LYS 25 2HG LYS 25 6.177 -3.048 3.752
161 HG3 LYS 25 1HG LYS 25 4.458 -3.156 3.364
162 HD2 LYS 25 2HD LYS 25 4.105 -4.733 5.149
163 HD3 LYS 25 1HD LYS 25 5.839 -4.803 5.478
164 HE2 LYS 25 2HE LYS 25 5.868 -2.565 6.255
165 HE3 LYS 25 1HE LYS 25 4.248 -2.261 5.636
166 HZ1 LYS 25 1HZ LYS 25 3.332 -3.695 7.217
167 HZ2 LYS 25 2HZ LYS 25 4.295 -2.584 8.040
168 HZ3 LYS 25 3HZ LYS 25 4.836 -4.185 7.826
169 H ASN 26 HN ASN 26 4.548 -6.546 0.425
170 HA ASN 26 HA ASN 26 7.022 -7.927 -0.156
171 HB2 ASN 26 2HB ASN 26 4.166 -8.840 -0.218
172 HB3 ASN 26 1HB ASN 26 5.486 -9.831 -0.828
173 HD21 ASN 26 1HD2 ASN 26 4.045 -8.413 1.975
174 HD22 ASN 26 2HD2 ASN 26 4.911 -9.359 3.124
175 H LYS 27 HN LYS 27 4.109 -7.238 -2.090
176 HA LYS 27 HA LYS 27 5.527 -8.106 -4.429
177 HB2 LYS 27 2HB LYS 27 3.191 -8.696 -4.258
178 HB3 LYS 27 1HB LYS 27 2.735 -7.011 -4.089
179 HG2 LYS 27 2HG LYS 27 2.257 -7.864 -6.339
180 HG3 LYS 27 1HG LYS 27 3.437 -6.553 -6.373
181 HD2 LYS 27 2HD LYS 27 5.242 -8.246 -6.484
182 HD3 LYS 27 1HD LYS 27 4.014 -9.509 -6.581
183 HE2 LYS 27 2HE LYS 27 4.883 -8.970 -8.777
184 HE3 LYS 27 1HE LYS 27 3.186 -8.523 -8.656
185 HZ1 LYS 27 1HZ LYS 27 3.864 -6.180 -8.390
186 HZ2 LYS 27 2HZ LYS 27 4.547 -6.829 -9.780
187 HZ3 LYS 27 3HZ LYS 27 5.487 -6.630 -8.435
188 H GLU 28 HN GLU 28 4.244 -5.083 -3.206
189 HA GLU 28 HA GLU 28 5.193 -3.696 -5.531
190 HB2 GLU 28 2HB GLU 28 4.168 -2.477 -2.957
191 HB3 GLU 28 1HB GLU 28 4.422 -1.645 -4.475
192 HG2 GLU 28 2HG GLU 28 2.435 -3.873 -4.070
193 HG3 GLU 28 1HG GLU 28 2.051 -2.152 -4.098
194 H HIS 29 HN HIS 29 6.577 -4.714 -2.666
195 HA HIS 29 HA HIS 29 8.575 -4.449 -1.632
196 HB2 HIS 29 2HB HIS 29 9.359 -3.460 -4.388
197 HB3 HIS 29 1HB HIS 29 10.519 -3.643 -3.081
198 HD1 HIS 29 1HD HIS 29 11.660 -5.892 -3.006
199 HD2 HIS 29 2HD HIS 29 8.044 -6.008 -5.035
200 HE1 HIS 29 1HE HIS 29 11.487 -8.206 -3.952
201 H LEU 30 HN LEU 30 6.661 -2.370 -1.408
202 HA LEU 30 HA LEU 30 8.247 0.066 -1.272
203 HB2 LEU 30 2HB LEU 30 5.294 -0.365 -0.793
204 HB3 LEU 30 1HB LEU 30 6.106 1.185 -0.819
205 HG LEU 30 HG LEU 30 5.684 -0.680 -3.141
206 HD11 LEU 30 1HD1 LEU 30 3.715 0.563 -2.548
207 HD12 LEU 30 2HD1 LEU 30 4.377 1.166 -4.067
208 HD13 LEU 30 3HD1 LEU 30 4.623 2.073 -2.575
209 HD21 LEU 30 1HD2 LEU 30 7.215 1.917 -3.044
210 HD22 LEU 30 2HD2 LEU 30 6.734 1.087 -4.521
211 HD23 LEU 30 3HD2 LEU 30 7.858 0.315 -3.406
212 H ARG 31 HN ARG 31 7.068 1.349 0.847
213 HA ARG 31 HA ARG 31 8.494 -0.008 2.962
214 HB2 ARG 31 2HB ARG 31 8.794 2.410 2.415
215 HB3 ARG 31 1HB ARG 31 7.154 2.692 2.967
216 HG2 ARG 31 2HG ARG 31 7.773 2.002 5.214
217 HG3 ARG 31 1HG ARG 31 9.417 1.653 4.667
218 HD2 ARG 31 2HD ARG 31 9.576 4.020 3.901
219 HD3 ARG 31 1HD ARG 31 8.023 4.319 4.670
220 HE ARG 31 HE ARG 31 9.272 3.474 6.753
221 HH11 ARG 31 1HH1 ARG 31 10.868 5.280 4.107
222 HH12 ARG 31 2HH1 ARG 31 11.876 6.158 5.157
223 HH21 ARG 31 1HH2 ARG 31 10.710 4.733 8.163
224 HH22 ARG 31 2HH2 ARG 31 11.774 5.870 7.482
225 H SER 32 HN SER 32 5.185 1.162 2.325
226 HA SER 32 HA SER 32 4.096 -0.835 4.025
227 HB2 SER 32 2HB SER 32 2.914 0.899 5.479
228 HB3 SER 32 1HB SER 32 4.628 0.632 5.810
229 HG SER 32 HG SER 32 4.746 2.663 5.605
230 H GLY 33 HN GLY 33 1.608 -0.363 4.208
231 HA2 GLY 33 2HA GLY 33 0.680 1.027 1.818
232 HA3 GLY 33 1HA GLY 33 0.177 -0.633 2.090
233 H ARG 34 HN ARG 34 -1.043 2.281 2.265
234 HA ARG 34 HA ARG 34 -2.530 1.623 4.654
235 HB2 ARG 34 2HB ARG 34 -2.538 4.001 5.337
236 HB3 ARG 34 1HB ARG 34 -0.942 3.278 5.388
237 HG2 ARG 34 2HG ARG 34 -0.450 4.318 3.221
238 HG3 ARG 34 1HG ARG 34 -2.002 5.168 3.295
239 HD2 ARG 34 2HD ARG 34 0.350 5.420 5.178
240 HD3 ARG 34 1HD ARG 34 -0.289 6.658 4.099
241 HE ARG 34 HE ARG 34 -2.327 5.876 5.824
242 HH11 ARG 34 1HH1 ARG 34 0.652 7.755 5.863
243 HH12 ARG 34 2HH1 ARG 34 0.300 8.544 7.340
244 HH21 ARG 34 1HH2 ARG 34 -2.817 6.969 7.845
245 HH22 ARG 34 2HH2 ARG 34 -1.694 8.095 8.476
246 H CYS 35 HN CYS 35 -4.637 2.467 4.714
247 HA CYS 35 HA CYS 35 -5.641 2.805 1.983
248 HB2 CYS 35 2HB CYS 35 -7.059 1.585 4.350
249 HB3 CYS 35 1HB CYS 35 -7.559 1.542 2.658
250 H ARG 36 HN ARG 36 -6.497 4.649 1.566
251 HA ARG 36 HA ARG 36 -7.169 6.471 3.717
252 HB2 ARG 36 2HB ARG 36 -7.048 6.784 0.729
253 HB3 ARG 36 1HB ARG 36 -7.585 8.092 1.784
254 HG2 ARG 36 2HG ARG 36 -4.849 6.789 1.746
255 HG3 ARG 36 1HG ARG 36 -5.251 8.404 1.156
256 HD2 ARG 36 2HD ARG 36 -5.942 9.024 3.460
257 HD3 ARG 36 1HD ARG 36 -5.456 7.424 3.993
258 HE ARG 36 HE ARG 36 -3.260 8.642 2.743
259 HH11 ARG 36 1HH1 ARG 36 -5.240 8.939 5.668
260 HH12 ARG 36 2HH1 ARG 36 -4.016 9.581 6.642
261 HH21 ARG 36 1HH2 ARG 36 -1.545 9.472 4.025
262 HH22 ARG 36 2HH2 ARG 36 -1.785 9.959 5.637
263 H ASP 37 HN ASP 37 -9.246 7.879 3.184
264 HA ASP 37 HA ASP 37 -11.453 6.187 3.725
265 HB2 ASP 37 2HB ASP 37 -11.205 8.570 4.499
266 HB3 ASP 37 1HB ASP 37 -11.557 9.084 2.858
267 H ASP 38 HN ASP 38 -10.087 7.217 0.876
268 HA ASP 38 HA ASP 38 -12.161 7.018 -1.028
269 HB2 ASP 38 2HB ASP 38 -9.236 6.408 -1.207
270 HB3 ASP 38 1HB ASP 38 -10.290 6.576 -2.598
271 H PHE 39 HN PHE 39 -10.547 4.685 0.909
272 HA PHE 39 HA PHE 39 -10.496 2.475 1.110
273 HB2 PHE 39 2HB PHE 39 -12.732 2.513 -0.932
274 HB3 PHE 39 1HB PHE 39 -12.163 1.040 -0.154
275 HD1 PHE 39 1HD PHE 39 -14.159 4.035 0.154
276 HD2 PHE 39 2HD PHE 39 -12.508 0.739 2.277
277 HE1 PHE 39 1HE PHE 39 -15.721 4.442 2.000
278 HE2 PHE 39 2HE PHE 39 -14.070 1.148 4.124
279 HZ PHE 39 HZ PHE 39 -15.679 3.001 3.989
280 H ARG 40 HN ARG 40 -9.079 3.984 -1.014
281 HA ARG 40 HA ARG 40 -8.338 1.770 -2.796
282 HB2 ARG 40 2HB ARG 40 -9.093 4.149 -3.600
283 HB3 ARG 40 1HB ARG 40 -7.501 4.652 -3.072
284 HG2 ARG 40 2HG ARG 40 -7.404 4.284 -5.414
285 HG3 ARG 40 1HG ARG 40 -6.539 2.960 -4.631
286 HD2 ARG 40 2HD ARG 40 -8.454 1.495 -4.913
287 HD3 ARG 40 1HD ARG 40 -9.395 2.821 -5.582
288 HE ARG 40 HE ARG 40 -7.244 2.711 -7.198
289 HH11 ARG 40 1HH1 ARG 40 -9.523 0.211 -6.169
290 HH12 ARG 40 2HH1 ARG 40 -9.463 -0.639 -7.644
291 HH21 ARG 40 1HH2 ARG 40 -7.181 1.569 -9.205
292 HH22 ARG 40 2HH2 ARG 40 -8.116 0.162 -9.428
293 H CYS 41 HN CYS 41 -6.061 1.217 -2.883
294 HA CYS 41 HA CYS 41 -4.738 1.709 -0.397
295 HB2 CYS 41 2HB CYS 41 -4.229 -0.156 -2.660
296 HB3 CYS 41 1HB CYS 41 -2.984 0.160 -1.453
297 H TRP 42 HN TRP 42 -3.510 3.295 -0.002
298 HA TRP 42 HA TRP 42 -1.773 4.363 -2.090
299 HB2 TRP 42 2HB TRP 42 -3.192 5.562 0.211
300 HB3 TRP 42 1HB TRP 42 -1.526 6.077 0.020
301 HD1 TRP 42 1HD TRP 42 -0.954 7.570 -2.144
302 HE1 TRP 42 1HE TRP 42 -2.437 8.991 -3.687
303 HE3 TRP 42 3HE TRP 42 -5.511 5.644 -0.894
304 HZ2 TRP 42 2HZ TRP 42 -5.160 9.269 -4.290
305 HZ3 TRP 42 3HZ TRP 42 -7.504 6.561 -2.009
306 HH2 TRP 42 2HH TRP 42 -7.326 8.330 -3.667
307 H CYS 43 HN CYS 43 0.196 3.577 -1.946
308 HA CYS 43 HA CYS 43 0.997 2.604 0.656
309 HB2 CYS 43 2HB CYS 43 1.733 1.551 -2.069
310 HB3 CYS 43 1HB CYS 43 2.380 0.944 -0.539
311 H THR 44 HN THR 44 2.936 2.979 1.429
312 HA THR 44 HA THR 44 4.050 5.499 0.721
313 HB THR 44 HB THR 44 5.114 3.580 2.766
314 HG1 THR 44 1HG THR 44 3.381 3.754 3.911
315 HG21 THR 44 1HG2 THR 44 5.496 5.659 4.014
316 HG22 THR 44 2HG2 THR 44 4.748 6.581 2.709
317 HG23 THR 44 3HG2 THR 44 6.264 5.724 2.427
318 H LYS 45 HN LYS 45 5.574 5.596 -0.841
319 HA LYS 45 HA LYS 45 7.530 3.420 -0.978
320 HB2 LYS 45 2HB LYS 45 8.013 4.073 -3.281
321 HB3 LYS 45 1HB LYS 45 6.299 3.768 -3.095
322 HG2 LYS 45 2HG LYS 45 5.906 6.201 -3.021
323 HG3 LYS 45 1HG LYS 45 7.633 6.461 -3.297
324 HD2 LYS 45 2HD LYS 45 7.454 5.155 -5.398
325 HD3 LYS 45 1HD LYS 45 5.721 5.009 -5.132
326 HE2 LYS 45 2HE LYS 45 6.084 6.768 -6.703
327 HE3 LYS 45 1HE LYS 45 5.575 7.500 -5.183
328 HZ1 LYS 45 1HZ LYS 45 7.378 8.735 -6.139
329 HZ2 LYS 45 2HZ LYS 45 8.346 7.363 -6.250
330 HZ3 LYS 45 3HZ LYS 45 7.991 7.985 -4.749
331 H ASN 46 HN ASN 46 9.719 3.976 -1.114
332 HA ASN 46 HA ASN 46 10.289 6.320 0.474
333 HB2 ASN 46 2HB ASN 46 12.022 4.049 -0.472
334 HB3 ASN 46 1HB ASN 46 12.664 5.435 0.397
335 HD21 ASN 46 1HD2 ASN 46 12.559 2.601 1.085
336 HD22 ASN 46 2HD2 ASN 46 11.790 2.509 2.625
337 H CYS 47 HN CYS 47 11.033 8.153 -0.222
338 HA CYS 47 HA CYS 47 12.151 8.315 -2.917
339 HB2 CYS 47 2HB CYS 47 10.412 10.373 -1.535
340 HB3 CYS 47 1HB CYS 47 11.072 10.488 -3.159
Start of MODEL 7
1 H1 LYS 1 1HT LYS 1 14.001 9.189 -0.150
2 H2 LYS 1 2HT LYS 1 14.490 10.773 0.213
3 H3 LYS 1 3HT LYS 1 13.123 10.455 -0.755
4 HA LYS 1 HA LYS 1 13.351 9.488 2.000
5 HB2 LYS 1 2HB LYS 1 11.985 11.338 2.770
6 HB3 LYS 1 1HB LYS 1 13.360 12.015 1.936
7 HG2 LYS 1 2HG LYS 1 11.977 12.516 0.007
8 HG3 LYS 1 1HG LYS 1 10.593 11.735 0.782
9 HD2 LYS 1 2HD LYS 1 10.886 13.363 2.688
10 HD3 LYS 1 1HD LYS 1 12.045 14.218 1.671
11 HE2 LYS 1 2HE LYS 1 9.870 15.270 1.519
12 HE3 LYS 1 1HE LYS 1 10.288 14.527 -0.025
13 HZ1 LYS 1 1HZ LYS 1 8.843 12.660 0.510
14 HZ2 LYS 1 2HZ LYS 1 7.997 14.091 0.596
15 HZ3 LYS 1 3HZ LYS 1 8.470 13.325 2.013
16 H THR 2 HN THR 2 10.515 9.901 2.414
17 HA THR 2 HA THR 2 9.598 7.899 0.510
18 HB THR 2 HB THR 2 7.757 7.561 2.184
19 HG1 THR 2 1HG THR 2 8.526 9.716 3.221
20 HG21 THR 2 1HG2 THR 2 10.616 7.079 2.992
21 HG22 THR 2 2HG2 THR 2 9.613 6.024 1.998
22 HG23 THR 2 3HG2 THR 2 9.226 6.267 3.708
23 H CYS 3 HN CYS 3 7.643 8.031 -0.480
24 HA CYS 3 HA CYS 3 6.012 10.406 -0.185
25 HB2 CYS 3 2HB CYS 3 5.741 10.267 -2.761
26 HB3 CYS 3 1HB CYS 3 7.200 11.029 -2.137
27 H GLU 4 HN GLU 4 3.777 9.934 -0.739
28 HA GLU 4 HA GLU 4 3.336 7.046 -0.703
29 HB2 GLU 4 2HB GLU 4 2.733 8.178 1.396
30 HB3 GLU 4 1HB GLU 4 1.665 9.249 0.507
31 HG2 GLU 4 2HG GLU 4 0.219 7.429 -0.050
32 HG3 GLU 4 1HG GLU 4 1.338 6.267 0.666
33 H ASN 5 HN ASN 5 2.178 6.204 -2.282
34 HA ASN 5 HA ASN 5 0.566 7.937 -3.976
35 HB2 ASN 5 2HB ASN 5 2.884 7.943 -4.925
36 HB3 ASN 5 1HB ASN 5 2.830 6.191 -5.015
37 HD21 ASN 5 1HD2 ASN 5 1.745 5.227 -6.721
38 HD22 ASN 5 2HD2 ASN 5 1.095 6.125 -8.034
39 H LEU 6 HN LEU 6 -0.822 6.617 -5.389
40 HA LEU 6 HA LEU 6 -2.046 4.499 -4.107
41 HB2 LEU 6 2HB LEU 6 -2.091 5.434 -6.944
42 HB3 LEU 6 1HB LEU 6 -2.980 4.008 -6.451
43 HG LEU 6 HG LEU 6 -3.387 6.762 -5.277
44 HD11 LEU 6 1HD1 LEU 6 -5.024 5.199 -7.269
45 HD12 LEU 6 2HD1 LEU 6 -4.097 6.665 -7.621
46 HD13 LEU 6 3HD1 LEU 6 -5.478 6.727 -6.520
47 HD21 LEU 6 1HD2 LEU 6 -4.861 4.167 -4.999
48 HD22 LEU 6 2HD2 LEU 6 -5.406 5.724 -4.384
49 HD23 LEU 6 3HD2 LEU 6 -3.943 4.994 -3.737
50 H ALA 7 HN ALA 7 -1.894 2.417 -4.120
51 HA ALA 7 HA ALA 7 0.437 1.086 -4.991
52 HB1 ALA 7 1HB ALA 7 -2.256 0.009 -4.184
53 HB2 ALA 7 2HB ALA 7 -0.913 0.350 -3.101
54 HB3 ALA 7 3HB ALA 7 -0.771 -0.942 -4.302
55 H ASP 8 HN ASP 8 0.832 0.075 -6.876
56 HA ASP 8 HA ASP 8 -1.024 0.615 -9.016
57 HB2 ASP 8 2HB ASP 8 1.790 -0.465 -9.058
58 HB3 ASP 8 1HB ASP 8 0.807 -0.262 -10.500
59 H THR 9 HN THR 9 0.601 -2.353 -7.737
60 HA THR 9 HA THR 9 -0.903 -3.958 -9.496
61 HB THR 9 HB THR 9 0.622 -4.749 -7.015
62 HG1 THR 9 1HG THR 9 2.203 -3.986 -8.072
63 HG21 THR 9 1HG2 THR 9 0.928 -6.849 -8.217
64 HG22 THR 9 2HG2 THR 9 -0.027 -6.204 -9.565
65 HG23 THR 9 3HG2 THR 9 -0.791 -6.486 -7.995
66 H TYR 10 HN TYR 10 -1.424 -2.636 -6.347
67 HA TYR 10 HA TYR 10 -3.487 -4.544 -5.759
68 HB2 TYR 10 2HB TYR 10 -2.100 -3.526 -3.916
69 HB3 TYR 10 1HB TYR 10 -2.900 -1.993 -4.235
70 HD1 TYR 10 1HD TYR 10 -5.392 -1.842 -3.866
71 HD2 TYR 10 2HD TYR 10 -3.116 -5.164 -2.542
72 HE1 TYR 10 1HE TYR 10 -7.196 -2.440 -2.332
73 HE2 TYR 10 2HE TYR 10 -4.919 -5.795 -0.994
74 HH TYR 10 HH TYR 10 -8.031 -4.423 -1.205
75 H LYS 11 HN LYS 11 -4.606 -4.161 -7.694
76 HA LYS 11 HA LYS 11 -6.232 -1.777 -7.807
77 HB2 LYS 11 2HB LYS 11 -6.285 -4.323 -9.416
78 HB3 LYS 11 1HB LYS 11 -7.200 -2.865 -9.772
79 HG2 LYS 11 2HG LYS 11 -5.220 -1.644 -10.239
80 HG3 LYS 11 1HG LYS 11 -4.205 -2.972 -9.666
81 HD2 LYS 11 2HD LYS 11 -5.072 -4.388 -11.449
82 HD3 LYS 11 1HD LYS 11 -6.074 -3.051 -12.012
83 HE2 LYS 11 2HE LYS 11 -4.013 -3.434 -13.243
84 HE3 LYS 11 1HE LYS 11 -4.141 -1.772 -12.621
85 HZ1 LYS 11 1HZ LYS 11 -2.585 -2.491 -10.837
86 HZ2 LYS 11 2HZ LYS 11 -1.939 -2.663 -12.373
87 HZ3 LYS 11 3HZ LYS 11 -2.482 -4.024 -11.567
88 H GLY 12 HN GLY 12 -7.737 -1.722 -6.258
89 HA2 GLY 12 2HA GLY 12 -10.033 -3.000 -6.312
90 HA3 GLY 12 1HA GLY 12 -9.038 -4.131 -5.396
91 HA PRO 13 HA PRO 13 -10.402 -0.791 -2.504
92 HB2 PRO 13 2HB PRO 13 -12.543 -2.390 -1.449
93 HB3 PRO 13 1HB PRO 13 -12.668 -0.849 -2.301
94 HG2 PRO 13 2HG PRO 13 -13.571 -3.253 -3.300
95 HG3 PRO 13 1HG PRO 13 -13.135 -1.855 -4.299
96 HD2 PRO 13 2HD PRO 13 -11.537 -4.295 -3.637
97 HD3 PRO 13 1HD PRO 13 -11.685 -3.434 -5.187
98 H CYS 14 HN CYS 14 -9.942 -0.883 -0.361
99 HA CYS 14 HA CYS 14 -8.597 -3.259 0.553
100 HB2 CYS 14 2HB CYS 14 -7.434 -1.206 0.888
101 HB3 CYS 14 1HB CYS 14 -8.839 -0.486 1.672
102 H PHE 15 HN PHE 15 -9.729 -4.741 1.508
103 HA PHE 15 HA PHE 15 -11.991 -3.999 3.205
104 HB2 PHE 15 2HB PHE 15 -11.105 -6.735 2.243
105 HB3 PHE 15 1HB PHE 15 -12.573 -6.385 3.151
106 HD1 PHE 15 1HD PHE 15 -11.092 -6.632 -0.087
107 HD2 PHE 15 2HD PHE 15 -14.285 -4.836 2.084
108 HE1 PHE 15 1HE PHE 15 -12.275 -6.208 -2.183
109 HE2 PHE 15 2HE PHE 15 -15.475 -4.418 -0.006
110 HZ PHE 15 HZ PHE 15 -14.476 -5.096 -2.155
111 H THR 16 HN THR 16 -8.902 -5.652 3.155
112 HA THR 16 HA THR 16 -8.876 -5.609 6.080
113 HB THR 16 HB THR 16 -7.295 -7.469 4.309
114 HG1 THR 16 1HG THR 16 -9.102 -8.383 3.920
115 HG21 THR 16 1HG2 THR 16 -7.135 -8.819 6.370
116 HG22 THR 16 2HG2 THR 16 -8.091 -7.615 7.231
117 HG23 THR 16 3HG2 THR 16 -6.493 -7.195 6.613
118 H THR 17 HN THR 17 -7.589 -3.950 6.615
119 HA THR 17 HA THR 17 -5.863 -2.647 4.882
120 HB THR 17 HB THR 17 -6.855 -1.499 6.790
121 HG1 THR 17 1HG THR 17 -5.255 -0.234 6.636
122 HG21 THR 17 1HG2 THR 17 -6.811 -3.281 8.441
123 HG22 THR 17 2HG2 THR 17 -5.996 -1.847 9.083
124 HG23 THR 17 3HG2 THR 17 -5.052 -3.211 8.471
125 H GLY 18 HN GLY 18 -5.174 -5.261 7.158
126 HA2 GLY 18 2HA GLY 18 -2.393 -5.175 7.055
127 HA3 GLY 18 1HA GLY 18 -3.362 -6.602 7.402
128 H SER 19 HN SER 19 -4.754 -6.623 4.875
129 HA SER 19 HA SER 19 -2.965 -8.124 3.305
130 HB2 SER 19 2HB SER 19 -5.602 -6.861 2.520
131 HB3 SER 19 1HB SER 19 -4.825 -8.216 1.705
132 HG SER 19 HG SER 19 -4.955 -9.139 4.011
133 H CYS 20 HN CYS 20 -4.257 -4.870 3.094
134 HA CYS 20 HA CYS 20 -3.122 -4.079 0.657
135 HB2 CYS 20 2HB CYS 20 -4.950 -2.871 1.654
136 HB3 CYS 20 1HB CYS 20 -4.007 -2.543 3.098
137 H ASP 21 HN ASP 21 -2.072 -3.599 4.015
138 HA ASP 21 HA ASP 21 0.337 -2.285 3.463
139 HB2 ASP 21 2HB ASP 21 -0.641 -2.241 5.643
140 HB3 ASP 21 1HB ASP 21 -0.464 -3.977 5.848
141 H ASP 22 HN ASP 22 -0.442 -5.675 3.732
142 HA ASP 22 HA ASP 22 2.194 -6.682 3.657
143 HB2 ASP 22 2HB ASP 22 0.187 -8.024 4.325
144 HB3 ASP 22 1HB ASP 22 -0.283 -8.065 2.629
145 H HIS 23 HN HIS 23 -0.226 -6.254 1.122
146 HA HIS 23 HA HIS 23 1.300 -7.247 -0.982
147 HB2 HIS 23 2HB HIS 23 -1.146 -6.908 -1.054
148 HB3 HIS 23 1HB HIS 23 -0.899 -5.170 -1.042
149 HD1 HIS 23 1HD HIS 23 -0.751 -8.158 -3.298
150 HD2 HIS 23 2HD HIS 23 -0.024 -4.082 -3.452
151 HE1 HIS 23 1HE HIS 23 -0.711 -7.548 -5.747
152 H CYS 24 HN CYS 24 0.816 -3.874 0.059
153 HA CYS 24 HA CYS 24 2.491 -2.837 -1.900
154 HB2 CYS 24 2HB CYS 24 1.610 -1.652 0.712
155 HB3 CYS 24 1HB CYS 24 2.572 -0.776 -0.477
156 H LYS 25 HN LYS 25 3.295 -3.773 1.473
157 HA LYS 25 HA LYS 25 5.897 -2.766 1.045
158 HB2 LYS 25 2HB LYS 25 5.532 -2.422 3.217
159 HB3 LYS 25 1HB LYS 25 4.298 -3.664 3.295
160 HG2 LYS 25 2HG LYS 25 5.826 -5.315 3.708
161 HG3 LYS 25 1HG LYS 25 7.216 -4.310 3.272
162 HD2 LYS 25 2HD LYS 25 6.946 -4.610 5.759
163 HD3 LYS 25 1HD LYS 25 6.893 -2.928 5.243
164 HE2 LYS 25 2HE LYS 25 5.181 -3.357 6.907
165 HE3 LYS 25 1HE LYS 25 4.439 -2.983 5.360
166 HZ1 LYS 25 1HZ LYS 25 3.291 -4.738 6.329
167 HZ2 LYS 25 2HZ LYS 25 4.686 -5.630 6.663
168 HZ3 LYS 25 3HZ LYS 25 4.158 -5.478 5.075
169 H ASN 26 HN ASN 26 4.446 -5.963 0.861
170 HA ASN 26 HA ASN 26 7.104 -7.130 0.695
171 HB2 ASN 26 2HB ASN 26 4.388 -8.403 0.768
172 HB3 ASN 26 1HB ASN 26 5.851 -9.328 0.441
173 HD21 ASN 26 1HD2 ASN 26 3.953 -7.697 2.752
174 HD22 ASN 26 2HD2 ASN 26 4.821 -8.183 4.172
175 H LYS 27 HN LYS 27 4.177 -7.245 -1.361
176 HA LYS 27 HA LYS 27 5.713 -8.442 -3.445
177 HB2 LYS 27 2HB LYS 27 3.296 -8.959 -3.053
178 HB3 LYS 27 1HB LYS 27 2.897 -7.346 -3.626
179 HG2 LYS 27 2HG LYS 27 2.551 -8.994 -5.380
180 HG3 LYS 27 1HG LYS 27 3.867 -7.898 -5.818
181 HD2 LYS 27 2HD LYS 27 5.502 -9.556 -5.066
182 HD3 LYS 27 1HD LYS 27 4.196 -10.656 -4.622
183 HE2 LYS 27 2HE LYS 27 3.517 -10.740 -6.975
184 HE3 LYS 27 1HE LYS 27 4.832 -9.641 -7.387
185 HZ1 LYS 27 1HZ LYS 27 5.144 -12.352 -6.217
186 HZ2 LYS 27 2HZ LYS 27 6.403 -11.318 -6.531
187 HZ3 LYS 27 3HZ LYS 27 5.483 -11.929 -7.807
188 H GLU 28 HN GLU 28 4.257 -5.278 -2.948
189 HA GLU 28 HA GLU 28 5.272 -4.237 -5.428
190 HB2 GLU 28 2HB GLU 28 4.097 -2.845 -3.029
191 HB3 GLU 28 1HB GLU 28 4.498 -2.055 -4.540
192 HG2 GLU 28 2HG GLU 28 2.546 -4.325 -4.347
193 HG3 GLU 28 1HG GLU 28 2.084 -2.627 -4.244
194 H HIS 29 HN HIS 29 6.579 -4.852 -2.426
195 HA HIS 29 HA HIS 29 8.419 -4.305 -1.287
196 HB2 HIS 29 2HB HIS 29 9.345 -3.996 -4.109
197 HB3 HIS 29 1HB HIS 29 10.425 -3.513 -2.805
198 HD1 HIS 29 1HD HIS 29 9.679 -6.393 -4.814
199 HD2 HIS 29 2HD HIS 29 10.633 -5.742 -0.823
200 HE1 HIS 29 1HE HIS 29 10.608 -8.568 -3.949
201 H LEU 30 HN LEU 30 6.572 -2.402 -1.127
202 HA LEU 30 HA LEU 30 8.103 0.055 -1.222
203 HB2 LEU 30 2HB LEU 30 5.174 -0.336 -0.580
204 HB3 LEU 30 1HB LEU 30 5.984 1.203 -0.791
205 HG LEU 30 HG LEU 30 5.402 -0.862 -2.900
206 HD11 LEU 30 1HD1 LEU 30 3.499 0.470 -2.335
207 HD12 LEU 30 2HD1 LEU 30 4.095 0.934 -3.929
208 HD13 LEU 30 3HD1 LEU 30 4.429 1.953 -2.531
209 HD21 LEU 30 1HD2 LEU 30 6.416 0.741 -4.513
210 HD22 LEU 30 2HD2 LEU 30 7.575 0.017 -3.406
211 HD23 LEU 30 3HD2 LEU 30 7.034 1.671 -3.143
212 H ARG 31 HN ARG 31 7.198 1.445 0.876
213 HA ARG 31 HA ARG 31 8.473 0.085 3.062
214 HB2 ARG 31 2HB ARG 31 9.106 2.339 2.776
215 HB3 ARG 31 1HB ARG 31 7.440 2.878 2.678
216 HG2 ARG 31 2HG ARG 31 7.130 2.408 5.046
217 HG3 ARG 31 1HG ARG 31 8.786 1.807 5.150
218 HD2 ARG 31 2HD ARG 31 9.692 3.937 4.752
219 HD3 ARG 31 1HD ARG 31 8.144 4.564 4.183
220 HE ARG 31 HE ARG 31 7.539 3.921 6.665
221 HH11 ARG 31 1HH1 ARG 31 10.480 5.539 5.594
222 HH12 ARG 31 2HH1 ARG 31 10.510 6.656 6.875
223 HH21 ARG 31 1HH2 ARG 31 7.543 5.465 8.392
224 HH22 ARG 31 2HH2 ARG 31 8.775 6.622 8.526
225 H SER 32 HN SER 32 5.218 1.456 2.526
226 HA SER 32 HA SER 32 4.116 -0.432 4.398
227 HB2 SER 32 2HB SER 32 3.067 1.381 5.786
228 HB3 SER 32 1HB SER 32 4.822 1.320 5.941
229 HG SER 32 HG SER 32 3.225 3.132 4.495
230 H GLY 33 HN GLY 33 1.668 -0.263 4.370
231 HA2 GLY 33 2HA GLY 33 0.671 1.219 2.060
232 HA3 GLY 33 1HA GLY 33 0.401 -0.515 2.126
233 H ARG 34 HN ARG 34 -1.275 2.131 2.462
234 HA ARG 34 HA ARG 34 -2.815 0.978 4.621
235 HB2 ARG 34 2HB ARG 34 -3.189 3.160 5.655
236 HB3 ARG 34 1HB ARG 34 -1.493 2.702 5.696
237 HG2 ARG 34 2HG ARG 34 -1.040 4.154 3.836
238 HG3 ARG 34 1HG ARG 34 -2.742 4.612 3.745
239 HD2 ARG 34 2HD ARG 34 -2.552 5.464 6.101
240 HD3 ARG 34 1HD ARG 34 -0.825 5.141 6.011
241 HE ARG 34 HE ARG 34 -0.878 6.651 4.010
242 HH11 ARG 34 1HH1 ARG 34 -3.056 7.105 6.785
243 HH12 ARG 34 2HH1 ARG 34 -3.219 8.782 6.539
244 HH21 ARG 34 1HH2 ARG 34 -1.159 8.863 3.667
245 HH22 ARG 34 2HH2 ARG 34 -2.121 9.833 4.708
246 H CYS 35 HN CYS 35 -4.948 1.611 4.660
247 HA CYS 35 HA CYS 35 -6.027 2.043 1.997
248 HB2 CYS 35 2HB CYS 35 -7.459 1.266 4.522
249 HB3 CYS 35 1HB CYS 35 -7.928 0.936 2.853
250 H ARG 36 HN ARG 36 -7.018 3.860 1.506
251 HA ARG 36 HA ARG 36 -7.389 5.785 3.654
252 HB2 ARG 36 2HB ARG 36 -6.876 6.174 0.738
253 HB3 ARG 36 1HB ARG 36 -7.400 7.496 1.783
254 HG2 ARG 36 2HG ARG 36 -4.846 5.903 1.961
255 HG3 ARG 36 1HG ARG 36 -5.011 7.615 1.557
256 HD2 ARG 36 2HD ARG 36 -5.456 6.259 4.211
257 HD3 ARG 36 1HD ARG 36 -4.302 7.532 3.823
258 HE ARG 36 HE ARG 36 -6.602 8.738 3.292
259 HH11 ARG 36 1HH1 ARG 36 -5.545 6.969 6.180
260 HH12 ARG 36 2HH1 ARG 36 -6.660 7.733 7.209
261 HH21 ARG 36 1HH2 ARG 36 -8.226 9.668 4.690
262 HH22 ARG 36 2HH2 ARG 36 -8.199 9.304 6.359
263 H ASP 37 HN ASP 37 -9.054 7.587 2.736
264 HA ASP 37 HA ASP 37 -11.530 6.816 3.515
265 HB2 ASP 37 2HB ASP 37 -10.931 8.958 1.468
266 HB3 ASP 37 1HB ASP 37 -12.376 8.844 2.459
267 H ASP 38 HN ASP 38 -10.376 6.918 0.193
268 HA ASP 38 HA ASP 38 -12.907 6.117 -0.968
269 HB2 ASP 38 2HB ASP 38 -10.169 6.324 -2.226
270 HB3 ASP 38 1HB ASP 38 -11.641 5.938 -3.098
271 H PHE 39 HN PHE 39 -10.926 4.382 0.808
272 HA PHE 39 HA PHE 39 -10.530 2.235 1.184
273 HB2 PHE 39 2HB PHE 39 -12.553 1.724 -1.015
274 HB3 PHE 39 1HB PHE 39 -11.865 0.470 0.007
275 HD1 PHE 39 1HD PHE 39 -14.262 3.172 -0.228
276 HD2 PHE 39 2HD PHE 39 -12.409 0.395 2.395
277 HE1 PHE 39 1HE PHE 39 -16.024 3.581 1.439
278 HE2 PHE 39 2HE PHE 39 -14.162 0.798 4.070
279 HZ PHE 39 HZ PHE 39 -15.975 2.398 3.587
280 H ARG 40 HN ARG 40 -9.251 3.798 -1.121
281 HA ARG 40 HA ARG 40 -8.104 1.504 -2.528
282 HB2 ARG 40 2HB ARG 40 -8.906 3.698 -3.712
283 HB3 ARG 40 1HB ARG 40 -7.418 4.384 -3.084
284 HG2 ARG 40 2HG ARG 40 -7.059 3.716 -5.338
285 HG3 ARG 40 1HG ARG 40 -6.166 2.622 -4.279
286 HD2 ARG 40 2HD ARG 40 -7.841 0.913 -4.532
287 HD3 ARG 40 1HD ARG 40 -8.887 2.016 -5.426
288 HE ARG 40 HE ARG 40 -6.299 1.631 -6.585
289 HH11 ARG 40 1HH1 ARG 40 -9.613 0.370 -6.441
290 HH12 ARG 40 2HH1 ARG 40 -9.548 -0.341 -7.978
291 HH21 ARG 40 1HH2 ARG 40 -6.238 0.633 -8.735
292 HH22 ARG 40 2HH2 ARG 40 -7.629 -0.152 -9.326
293 H CYS 41 HN CYS 41 -5.763 1.316 -2.602
294 HA CYS 41 HA CYS 41 -4.659 1.952 -0.039
295 HB2 CYS 41 2HB CYS 41 -3.834 0.111 -2.237
296 HB3 CYS 41 1HB CYS 41 -2.793 0.439 -0.857
297 H TRP 42 HN TRP 42 -3.531 3.597 0.328
298 HA TRP 42 HA TRP 42 -1.804 4.711 -1.737
299 HB2 TRP 42 2HB TRP 42 -3.276 5.871 0.555
300 HB3 TRP 42 1HB TRP 42 -1.624 6.446 0.389
301 HD1 TRP 42 1HD TRP 42 -1.096 8.082 -1.601
302 HE1 TRP 42 1HE TRP 42 -2.565 9.380 -3.264
303 HE3 TRP 42 3HE TRP 42 -5.543 5.675 -0.833
304 HZ2 TRP 42 2HZ TRP 42 -5.229 9.393 -4.142
305 HZ3 TRP 42 3HZ TRP 42 -7.512 6.408 -2.126
306 HH2 TRP 42 2HH TRP 42 -7.348 8.225 -3.747
307 H CYS 43 HN CYS 43 0.201 4.077 -1.591
308 HA CYS 43 HA CYS 43 1.045 3.008 0.979
309 HB2 CYS 43 2HB CYS 43 1.621 1.883 -1.765
310 HB3 CYS 43 1HB CYS 43 2.215 1.237 -0.231
311 H THR 44 HN THR 44 3.002 3.455 1.665
312 HA THR 44 HA THR 44 4.289 5.754 0.551
313 HB THR 44 HB THR 44 5.062 4.081 2.946
314 HG1 THR 44 1HG THR 44 3.625 6.487 3.143
315 HG21 THR 44 1HG2 THR 44 6.776 5.657 2.172
316 HG22 THR 44 2HG2 THR 44 6.093 6.166 3.719
317 HG23 THR 44 3HG2 THR 44 5.596 6.966 2.227
318 H LYS 45 HN LYS 45 5.938 5.698 -0.760
319 HA LYS 45 HA LYS 45 7.545 3.273 -0.990
320 HB2 LYS 45 2HB LYS 45 7.695 3.787 -3.428
321 HB3 LYS 45 1HB LYS 45 6.059 3.428 -2.896
322 HG2 LYS 45 2HG LYS 45 5.724 5.952 -2.766
323 HG3 LYS 45 1HG LYS 45 7.224 6.079 -3.679
324 HD2 LYS 45 2HD LYS 45 4.723 4.607 -4.555
325 HD3 LYS 45 1HD LYS 45 5.267 6.167 -5.160
326 HE2 LYS 45 2HE LYS 45 7.302 5.083 -6.032
327 HE3 LYS 45 1HE LYS 45 6.705 3.531 -5.457
328 HZ1 LYS 45 1HZ LYS 45 5.302 5.226 -7.458
329 HZ2 LYS 45 2HZ LYS 45 4.853 3.668 -6.990
330 HZ3 LYS 45 3HZ LYS 45 6.268 3.917 -7.841
331 H ASN 46 HN ASN 46 9.763 3.729 -1.772
332 HA ASN 46 HA ASN 46 10.697 6.222 -0.601
333 HB2 ASN 46 2HB ASN 46 12.216 3.734 -1.406
334 HB3 ASN 46 1HB ASN 46 12.999 5.210 -0.859
335 HD21 ASN 46 1HD2 ASN 46 12.839 5.787 1.322
336 HD22 ASN 46 2HD2 ASN 46 12.305 4.678 2.517
337 H CYS 47 HN CYS 47 11.395 7.833 -1.664
338 HA CYS 47 HA CYS 47 12.269 7.573 -4.392
339 HB2 CYS 47 2HB CYS 47 10.864 9.638 -4.925
340 HB3 CYS 47 1HB CYS 47 9.965 8.141 -4.701
Start of MODEL 8
1 H1 LYS 1 1HT LYS 1 11.826 11.500 1.009
2 H2 LYS 1 2HT LYS 1 12.003 10.678 2.461
3 H3 LYS 1 3HT LYS 1 12.287 12.337 2.414
4 HA LYS 1 HA LYS 1 10.166 11.812 3.455
5 HB2 LYS 1 2HB LYS 1 10.499 13.901 2.043
6 HB3 LYS 1 1HB LYS 1 9.806 13.017 0.697
7 HG2 LYS 1 2HG LYS 1 7.691 12.833 1.875
8 HG3 LYS 1 1HG LYS 1 8.395 13.646 3.275
9 HD2 LYS 1 2HD LYS 1 8.864 15.617 1.814
10 HD3 LYS 1 1HD LYS 1 7.989 14.806 0.522
11 HE2 LYS 1 2HE LYS 1 6.569 16.432 1.667
12 HE3 LYS 1 1HE LYS 1 5.961 14.794 1.879
13 HZ1 LYS 1 1HZ LYS 1 6.879 14.759 4.104
14 HZ2 LYS 1 2HZ LYS 1 5.907 16.107 3.953
15 HZ3 LYS 1 3HZ LYS 1 7.563 16.278 3.929
16 H THR 2 HN THR 2 8.472 10.336 3.500
17 HA THR 2 HA THR 2 8.519 8.483 1.338
18 HB THR 2 HB THR 2 6.674 7.274 2.590
19 HG1 THR 2 1HG THR 2 6.842 9.485 4.143
20 HG21 THR 2 1HG2 THR 2 8.261 6.337 4.226
21 HG22 THR 2 2HG2 THR 2 9.340 7.705 3.921
22 HG23 THR 2 3HG2 THR 2 8.964 6.567 2.625
23 H CYS 3 HN CYS 3 7.386 8.376 -0.277
24 HA CYS 3 HA CYS 3 5.330 10.339 -0.771
25 HB2 CYS 3 2HB CYS 3 6.594 8.276 -2.583
26 HB3 CYS 3 1HB CYS 3 5.483 9.543 -3.091
27 H GLU 4 HN GLU 4 3.251 9.770 -1.403
28 HA GLU 4 HA GLU 4 2.468 7.057 -0.644
29 HB2 GLU 4 2HB GLU 4 1.812 8.984 0.874
30 HB3 GLU 4 1HB GLU 4 0.842 9.598 -0.450
31 HG2 GLU 4 2HG GLU 4 -0.591 7.731 -0.368
32 HG3 GLU 4 1HG GLU 4 0.464 6.888 0.777
33 H ASN 5 HN ASN 5 2.000 5.972 -2.440
34 HA ASN 5 HA ASN 5 0.811 7.392 -4.745
35 HB2 ASN 5 2HB ASN 5 3.192 6.984 -5.162
36 HB3 ASN 5 1HB ASN 5 2.990 5.288 -4.764
37 HD21 ASN 5 1HD2 ASN 5 0.838 7.288 -6.815
38 HD22 ASN 5 2HD2 ASN 5 1.127 6.360 -8.235
39 H LEU 6 HN LEU 6 -0.867 6.346 -5.690
40 HA LEU 6 HA LEU 6 -2.163 4.225 -4.437
41 HB2 LEU 6 2HB LEU 6 -2.489 5.623 -7.018
42 HB3 LEU 6 1HB LEU 6 -3.286 4.076 -6.823
43 HG LEU 6 HG LEU 6 -3.681 6.389 -4.924
44 HD11 LEU 6 1HD1 LEU 6 -5.796 6.683 -6.051
45 HD12 LEU 6 2HD1 LEU 6 -5.371 5.412 -7.203
46 HD13 LEU 6 3HD1 LEU 6 -4.465 6.935 -7.189
47 HD21 LEU 6 1HD2 LEU 6 -4.147 4.180 -3.998
48 HD22 LEU 6 2HD2 LEU 6 -5.171 3.816 -5.385
49 HD23 LEU 6 3HD2 LEU 6 -5.628 5.094 -4.261
50 H ALA 7 HN ALA 7 -2.202 2.167 -4.648
51 HA ALA 7 HA ALA 7 -0.146 0.819 -6.118
52 HB1 ALA 7 1HB ALA 7 -2.450 -0.210 -4.473
53 HB2 ALA 7 2HB ALA 7 -0.808 0.059 -3.895
54 HB3 ALA 7 3HB ALA 7 -1.130 -1.198 -5.095
55 H ASP 8 HN ASP 8 -0.437 0.542 -8.238
56 HA ASP 8 HA ASP 8 -3.023 0.453 -9.490
57 HB2 ASP 8 2HB ASP 8 -1.047 1.222 -10.750
58 HB3 ASP 8 1HB ASP 8 -0.321 -0.375 -10.603
59 H THR 9 HN THR 9 -0.705 -1.826 -8.297
60 HA THR 9 HA THR 9 -1.670 -4.143 -9.491
61 HB THR 9 HB THR 9 -0.220 -3.918 -6.864
62 HG1 THR 9 1HG THR 9 1.607 -3.484 -7.984
63 HG21 THR 9 1HG2 THR 9 0.876 -5.945 -7.723
64 HG22 THR 9 2HG2 THR 9 -0.144 -5.850 -9.166
65 HG23 THR 9 3HG2 THR 9 -0.874 -6.146 -7.588
66 H TYR 10 HN TYR 10 -2.626 -2.355 -6.621
67 HA TYR 10 HA TYR 10 -4.145 -4.580 -5.571
68 HB2 TYR 10 2HB TYR 10 -2.901 -2.929 -4.104
69 HB3 TYR 10 1HB TYR 10 -4.078 -1.722 -4.587
70 HD1 TYR 10 1HD TYR 10 -6.453 -1.973 -3.857
71 HD2 TYR 10 2HD TYR 10 -3.386 -4.541 -2.456
72 HE1 TYR 10 1HE TYR 10 -7.879 -2.625 -1.975
73 HE2 TYR 10 2HE TYR 10 -4.785 -5.220 -0.578
74 HH TYR 10 HH TYR 10 -6.696 -4.314 0.710
75 H LYS 11 HN LYS 11 -5.517 -4.854 -7.309
76 HA LYS 11 HA LYS 11 -7.310 -2.696 -8.033
77 HB2 LYS 11 2HB LYS 11 -7.088 -5.497 -9.136
78 HB3 LYS 11 1HB LYS 11 -7.978 -4.154 -9.852
79 HG2 LYS 11 2HG LYS 11 -5.981 -2.949 -10.282
80 HG3 LYS 11 1HG LYS 11 -5.025 -4.090 -9.348
81 HD2 LYS 11 2HD LYS 11 -5.616 -5.836 -11.013
82 HD3 LYS 11 1HD LYS 11 -6.398 -4.580 -11.979
83 HE2 LYS 11 2HE LYS 11 -3.514 -4.585 -11.114
84 HE3 LYS 11 1HE LYS 11 -4.098 -5.040 -12.708
85 HZ1 LYS 11 1HZ LYS 11 -4.873 -2.756 -13.036
86 HZ2 LYS 11 2HZ LYS 11 -3.259 -2.688 -12.563
87 HZ3 LYS 11 3HZ LYS 11 -4.448 -2.349 -11.464
88 H GLY 12 HN GLY 12 -8.505 -2.543 -6.158
89 HA2 GLY 12 2HA GLY 12 -10.921 -3.687 -6.057
90 HA3 GLY 12 1HA GLY 12 -9.924 -4.789 -5.110
91 HA PRO 13 HA PRO 13 -11.027 -1.076 -2.473
92 HB2 PRO 13 2HB PRO 13 -13.007 -2.654 -1.069
93 HB3 PRO 13 1HB PRO 13 -13.239 -1.149 -1.960
94 HG2 PRO 13 2HG PRO 13 -14.251 -3.546 -2.781
95 HG3 PRO 13 1HG PRO 13 -13.828 -2.229 -3.887
96 HD2 PRO 13 2HD PRO 13 -12.269 -4.692 -3.196
97 HD3 PRO 13 1HD PRO 13 -12.519 -3.912 -4.775
98 H CYS 14 HN CYS 14 -10.276 -0.873 -0.386
99 HA CYS 14 HA CYS 14 -8.717 -3.028 0.645
100 HB2 CYS 14 2HB CYS 14 -7.900 -0.743 0.849
101 HB3 CYS 14 1HB CYS 14 -9.329 -0.284 1.767
102 H PHE 15 HN PHE 15 -9.725 -4.681 1.565
103 HA PHE 15 HA PHE 15 -12.008 -4.170 3.313
104 HB2 PHE 15 2HB PHE 15 -10.868 -6.781 2.279
105 HB3 PHE 15 1HB PHE 15 -12.268 -6.651 3.332
106 HD1 PHE 15 1HD PHE 15 -14.273 -5.323 2.456
107 HD2 PHE 15 2HD PHE 15 -11.114 -6.704 -0.023
108 HE1 PHE 15 1HE PHE 15 -15.732 -5.111 0.494
109 HE2 PHE 15 2HE PHE 15 -12.562 -6.497 -1.993
110 HZ PHE 15 HZ PHE 15 -14.879 -5.698 -1.740
111 H THR 16 HN THR 16 -8.688 -5.123 3.331
112 HA THR 16 HA THR 16 -8.721 -5.035 6.241
113 HB THR 16 HB THR 16 -7.223 -7.114 4.626
114 HG1 THR 16 1HG THR 16 -9.788 -7.034 5.632
115 HG21 THR 16 1HG2 THR 16 -6.823 -8.159 6.806
116 HG22 THR 16 2HG2 THR 16 -7.742 -6.885 7.597
117 HG23 THR 16 3HG2 THR 16 -6.212 -6.503 6.799
118 H THR 17 HN THR 17 -7.244 -3.526 6.829
119 HA THR 17 HA THR 17 -5.569 -2.343 4.905
120 HB THR 17 HB THR 17 -6.551 -1.077 6.819
121 HG1 THR 17 1HG THR 17 -5.019 0.285 6.596
122 HG21 THR 17 1HG2 THR 17 -5.474 -1.156 9.022
123 HG22 THR 17 2HG2 THR 17 -4.471 -2.503 8.481
124 HG23 THR 17 3HG2 THR 17 -6.219 -2.702 8.614
125 H GLY 18 HN GLY 18 -5.007 -4.826 7.325
126 HA2 GLY 18 2HA GLY 18 -2.211 -4.900 7.258
127 HA3 GLY 18 1HA GLY 18 -3.253 -6.267 7.625
128 H SER 19 HN SER 19 -4.617 -6.351 5.119
129 HA SER 19 HA SER 19 -2.823 -7.869 3.569
130 HB2 SER 19 2HB SER 19 -5.493 -6.721 2.747
131 HB3 SER 19 1HB SER 19 -4.711 -8.177 2.123
132 HG SER 19 HG SER 19 -5.105 -9.218 3.985
133 H CYS 20 HN CYS 20 -3.918 -4.561 3.536
134 HA CYS 20 HA CYS 20 -2.989 -3.864 0.931
135 HB2 CYS 20 2HB CYS 20 -4.740 -2.619 2.171
136 HB3 CYS 20 1HB CYS 20 -3.527 -2.131 3.347
137 H ASP 21 HN ASP 21 -1.799 -3.435 4.224
138 HA ASP 21 HA ASP 21 0.660 -2.233 3.757
139 HB2 ASP 21 2HB ASP 21 -0.164 -2.420 5.996
140 HB3 ASP 21 1HB ASP 21 -0.263 -4.170 5.886
141 H ASP 22 HN ASP 22 -0.159 -5.630 4.056
142 HA ASP 22 HA ASP 22 2.364 -6.731 3.602
143 HB2 ASP 22 2HB ASP 22 0.421 -7.952 4.503
144 HB3 ASP 22 1HB ASP 22 -0.324 -7.906 2.914
145 H HIS 23 HN HIS 23 -0.224 -5.928 1.328
146 HA HIS 23 HA HIS 23 0.859 -7.022 -0.990
147 HB2 HIS 23 2HB HIS 23 -1.503 -6.245 -0.650
148 HB3 HIS 23 1HB HIS 23 -0.927 -4.590 -0.732
149 HD1 HIS 23 1HD HIS 23 -2.276 -7.240 -2.807
150 HD2 HIS 23 2HD HIS 23 0.248 -3.990 -3.347
151 HE1 HIS 23 1HE HIS 23 -2.265 -6.772 -5.288
152 H CYS 24 HN CYS 24 0.949 -3.626 0.139
153 HA CYS 24 HA CYS 24 2.594 -2.744 -1.947
154 HB2 CYS 24 2HB CYS 24 2.233 -1.577 0.810
155 HB3 CYS 24 1HB CYS 24 3.039 -0.760 -0.523
156 H LYS 25 HN LYS 25 3.397 -4.278 1.044
157 HA LYS 25 HA LYS 25 6.184 -3.625 0.889
158 HB2 LYS 25 2HB LYS 25 4.570 -5.402 2.669
159 HB3 LYS 25 1HB LYS 25 6.328 -5.331 2.764
160 HG2 LYS 25 2HG LYS 25 6.333 -3.126 3.464
161 HG3 LYS 25 1HG LYS 25 4.715 -2.847 2.825
162 HD2 LYS 25 2HD LYS 25 4.788 -2.918 5.295
163 HD3 LYS 25 1HD LYS 25 3.734 -4.129 4.589
164 HE2 LYS 25 2HE LYS 25 5.504 -5.806 4.895
165 HE3 LYS 25 1HE LYS 25 6.504 -4.549 5.641
166 HZ1 LYS 25 1HZ LYS 25 5.080 -4.389 7.458
167 HZ2 LYS 25 2HZ LYS 25 5.136 -6.054 7.189
168 HZ3 LYS 25 3HZ LYS 25 3.813 -5.133 6.659
169 H ASN 26 HN ASN 26 4.313 -6.598 0.309
170 HA ASN 26 HA ASN 26 6.802 -7.874 -0.483
171 HB2 ASN 26 2HB ASN 26 4.058 -9.040 -0.127
172 HB3 ASN 26 1HB ASN 26 5.473 -9.972 -0.614
173 HD21 ASN 26 1HD2 ASN 26 3.854 -8.366 1.954
174 HD22 ASN 26 2HD2 ASN 26 4.872 -8.898 3.241
175 H LYS 27 HN LYS 27 3.862 -6.764 -2.004
176 HA LYS 27 HA LYS 27 4.604 -8.065 -4.475
177 HB2 LYS 27 2HB LYS 27 2.233 -7.956 -3.819
178 HB3 LYS 27 1HB LYS 27 2.312 -6.207 -3.815
179 HG2 LYS 27 2HG LYS 27 1.196 -6.996 -5.795
180 HG3 LYS 27 1HG LYS 27 2.726 -6.233 -6.232
181 HD2 LYS 27 2HD LYS 27 3.769 -8.406 -6.473
182 HD3 LYS 27 1HD LYS 27 2.289 -9.204 -5.941
183 HE2 LYS 27 2HE LYS 27 1.116 -8.283 -7.902
184 HE3 LYS 27 1HE LYS 27 2.613 -7.520 -8.428
185 HZ1 LYS 27 1HZ LYS 27 2.160 -10.433 -8.129
186 HZ2 LYS 27 2HZ LYS 27 3.602 -9.726 -8.610
187 HZ3 LYS 27 3HZ LYS 27 2.246 -9.597 -9.594
188 H GLU 28 HN GLU 28 4.133 -4.758 -3.290
189 HA GLU 28 HA GLU 28 5.322 -3.671 -5.692
190 HB2 GLU 28 2HB GLU 28 4.275 -2.308 -3.215
191 HB3 GLU 28 1HB GLU 28 4.900 -1.462 -4.619
192 HG2 GLU 28 2HG GLU 28 2.518 -3.302 -4.609
193 HG3 GLU 28 1HG GLU 28 2.459 -1.539 -4.612
194 H HIS 29 HN HIS 29 6.411 -4.706 -2.702
195 HA HIS 29 HA HIS 29 8.411 -4.759 -1.640
196 HB2 HIS 29 2HB HIS 29 9.473 -3.745 -4.288
197 HB3 HIS 29 1HB HIS 29 10.482 -4.327 -2.970
198 HD1 HIS 29 1HD HIS 29 9.186 -5.464 -6.063
199 HD2 HIS 29 2HD HIS 29 9.553 -7.144 -2.282
200 HE1 HIS 29 1HE HIS 29 9.076 -7.960 -6.396
201 H LEU 30 HN LEU 30 6.805 -2.492 -1.298
202 HA LEU 30 HA LEU 30 8.734 -0.301 -1.072
203 HB2 LEU 30 2HB LEU 30 5.727 -0.287 -0.936
204 HB3 LEU 30 1HB LEU 30 6.755 1.131 -0.821
205 HG LEU 30 HG LEU 30 6.535 -0.673 -3.223
206 HD11 LEU 30 1HD1 LEU 30 4.525 0.552 -2.975
207 HD12 LEU 30 2HD1 LEU 30 5.465 1.270 -4.281
208 HD13 LEU 30 3HD1 LEU 30 5.394 2.058 -2.705
209 HD21 LEU 30 1HD2 LEU 30 8.735 0.274 -3.104
210 HD22 LEU 30 2HD2 LEU 30 8.081 1.869 -2.774
211 HD23 LEU 30 3HD2 LEU 30 7.820 1.123 -4.350
212 H ARG 31 HN ARG 31 7.967 1.209 0.851
213 HA ARG 31 HA ARG 31 8.831 0.028 3.215
214 HB2 ARG 31 2HB ARG 31 8.988 2.433 2.871
215 HB3 ARG 31 1HB ARG 31 7.238 2.571 2.835
216 HG2 ARG 31 2HG ARG 31 7.174 1.784 5.193
217 HG3 ARG 31 1HG ARG 31 8.933 1.806 5.207
218 HD2 ARG 31 2HD ARG 31 8.930 4.204 4.805
219 HD3 ARG 31 1HD ARG 31 7.170 4.202 4.677
220 HE ARG 31 HE ARG 31 8.167 3.130 7.141
221 HH11 ARG 31 1HH1 ARG 31 7.140 6.170 5.563
222 HH12 ARG 31 2HH1 ARG 31 6.875 6.980 7.035
223 HH21 ARG 31 1HH2 ARG 31 7.715 4.282 9.147
224 HH22 ARG 31 2HH2 ARG 31 7.176 5.891 9.097
225 H SER 32 HN SER 32 5.499 0.923 2.301
226 HA SER 32 HA SER 32 4.339 -1.182 3.799
227 HB2 SER 32 2HB SER 32 5.058 0.330 5.651
228 HB3 SER 32 1HB SER 32 4.091 1.617 4.947
229 HG SER 32 HG SER 32 3.065 -0.883 5.925
230 H GLY 33 HN GLY 33 1.827 -0.295 4.125
231 HA2 GLY 33 2HA GLY 33 1.011 1.191 1.776
232 HA3 GLY 33 1HA GLY 33 0.365 -0.440 2.006
233 H ARG 34 HN ARG 34 -1.279 1.841 1.998
234 HA ARG 34 HA ARG 34 -2.479 1.539 4.586
235 HB2 ARG 34 2HB ARG 34 -2.581 4.002 4.991
236 HB3 ARG 34 1HB ARG 34 -0.964 3.330 5.118
237 HG2 ARG 34 2HG ARG 34 -0.497 4.129 2.834
238 HG3 ARG 34 1HG ARG 34 -2.092 4.882 2.800
239 HD2 ARG 34 2HD ARG 34 -0.395 6.515 3.364
240 HD3 ARG 34 1HD ARG 34 -1.468 6.249 4.734
241 HE ARG 34 HE ARG 34 0.439 4.603 5.396
242 HH11 ARG 34 1HH1 ARG 34 0.908 7.799 3.893
243 HH12 ARG 34 2HH1 ARG 34 2.366 8.103 4.742
244 HH21 ARG 34 1HH2 ARG 34 2.411 5.042 6.497
245 HH22 ARG 34 2HH2 ARG 34 3.228 6.535 6.239
246 H CYS 35 HN CYS 35 -4.655 2.126 4.594
247 HA CYS 35 HA CYS 35 -5.773 2.544 1.917
248 HB2 CYS 35 2HB CYS 35 -7.199 1.522 4.389
249 HB3 CYS 35 1HB CYS 35 -7.772 1.482 2.729
250 H ARG 36 HN ARG 36 -6.300 4.510 1.537
251 HA ARG 36 HA ARG 36 -6.833 6.363 3.694
252 HB2 ARG 36 2HB ARG 36 -6.570 6.698 0.725
253 HB3 ARG 36 1HB ARG 36 -7.040 8.027 1.782
254 HG2 ARG 36 2HG ARG 36 -4.458 6.483 1.979
255 HG3 ARG 36 1HG ARG 36 -4.644 8.044 1.179
256 HD2 ARG 36 2HD ARG 36 -5.384 9.028 3.297
257 HD3 ARG 36 1HD ARG 36 -5.161 7.476 4.104
258 HE ARG 36 HE ARG 36 -2.822 8.429 2.759
259 HH11 ARG 36 1HH1 ARG 36 -4.699 8.794 5.747
260 HH12 ARG 36 2HH1 ARG 36 -3.358 9.191 6.702
261 HH21 ARG 36 1HH2 ARG 36 -1.007 8.944 4.060
262 HH22 ARG 36 2HH2 ARG 36 -1.195 9.275 5.736
263 H ASP 37 HN ASP 37 -8.666 8.066 2.928
264 HA ASP 37 HA ASP 37 -11.076 6.871 3.647
265 HB2 ASP 37 2HB ASP 37 -12.138 9.013 3.197
266 HB3 ASP 37 1HB ASP 37 -10.601 9.247 4.016
267 H ASP 38 HN ASP 38 -9.724 7.152 0.511
268 HA ASP 38 HA ASP 38 -12.275 6.690 -0.817
269 HB2 ASP 38 2HB ASP 38 -9.470 6.899 -1.882
270 HB3 ASP 38 1HB ASP 38 -10.824 6.454 -2.906
271 H PHE 39 HN PHE 39 -10.747 4.772 1.058
272 HA PHE 39 HA PHE 39 -10.316 2.633 1.364
273 HB2 PHE 39 2HB PHE 39 -12.084 0.998 0.623
274 HB3 PHE 39 1HB PHE 39 -12.663 2.379 1.522
275 HD1 PHE 39 1HD PHE 39 -14.287 3.798 0.610
276 HD2 PHE 39 2HD PHE 39 -12.423 0.882 -1.832
277 HE1 PHE 39 1HE PHE 39 -15.983 4.196 -1.133
278 HE2 PHE 39 2HE PHE 39 -14.109 1.265 -3.592
279 HZ PHE 39 HZ PHE 39 -15.891 2.924 -3.241
280 H ARG 40 HN ARG 40 -8.882 3.675 -0.782
281 HA ARG 40 HA ARG 40 -8.377 1.199 -2.286
282 HB2 ARG 40 2HB ARG 40 -9.092 3.420 -3.504
283 HB3 ARG 40 1HB ARG 40 -7.445 3.931 -3.166
284 HG2 ARG 40 2HG ARG 40 -7.498 3.115 -5.365
285 HG3 ARG 40 1HG ARG 40 -6.676 1.894 -4.396
286 HD2 ARG 40 2HD ARG 40 -8.710 0.557 -4.275
287 HD3 ARG 40 1HD ARG 40 -9.601 1.795 -5.158
288 HE ARG 40 HE ARG 40 -7.322 0.842 -6.570
289 HH11 ARG 40 1HH1 ARG 40 -10.760 0.180 -5.929
290 HH12 ARG 40 2HH1 ARG 40 -10.947 -0.769 -7.330
291 HH21 ARG 40 1HH2 ARG 40 -7.628 -0.418 -8.447
292 HH22 ARG 40 2HH2 ARG 40 -9.157 -1.088 -8.838
293 H CYS 41 HN CYS 41 -5.912 1.034 -2.809
294 HA CYS 41 HA CYS 41 -4.584 1.613 -0.316
295 HB2 CYS 41 2HB CYS 41 -4.123 -0.434 -2.412
296 HB3 CYS 41 1HB CYS 41 -2.843 -0.003 -1.277
297 H TRP 42 HN TRP 42 -3.234 3.042 -0.061
298 HA TRP 42 HA TRP 42 -1.690 4.055 -2.316
299 HB2 TRP 42 2HB TRP 42 -2.644 5.252 0.256
300 HB3 TRP 42 1HB TRP 42 -1.124 5.803 -0.424
301 HD1 TRP 42 1HD TRP 42 -1.237 7.531 -2.363
302 HE1 TRP 42 1HE TRP 42 -3.141 8.794 -3.541
303 HE3 TRP 42 3HE TRP 42 -5.244 4.845 -0.621
304 HZ2 TRP 42 2HZ TRP 42 -5.938 8.682 -3.705
305 HZ3 TRP 42 3HZ TRP 42 -7.492 5.510 -1.351
306 HH2 TRP 42 2HH TRP 42 -7.813 7.395 -2.875
307 H CYS 43 HN CYS 43 0.288 3.296 -2.369
308 HA CYS 43 HA CYS 43 1.307 1.888 -0.075
309 HB2 CYS 43 2HB CYS 43 2.409 2.181 -2.868
310 HB3 CYS 43 1HB CYS 43 3.093 1.173 -1.597
311 H THR 44 HN THR 44 3.062 2.475 1.045
312 HA THR 44 HA THR 44 3.846 5.270 0.839
313 HB THR 44 HB THR 44 4.466 3.232 2.978
314 HG1 THR 44 1HG THR 44 2.115 4.215 2.223
315 HG21 THR 44 1HG2 THR 44 5.768 5.322 3.040
316 HG22 THR 44 2HG2 THR 44 4.651 5.235 4.402
317 HG23 THR 44 3HG2 THR 44 4.273 6.257 3.017
318 H LYS 45 HN LYS 45 5.767 5.669 -0.155
319 HA LYS 45 HA LYS 45 7.807 3.599 -0.020
320 HB2 LYS 45 2HB LYS 45 8.393 3.992 -2.366
321 HB3 LYS 45 1HB LYS 45 6.783 3.322 -2.157
322 HG2 LYS 45 2HG LYS 45 5.885 5.651 -2.468
323 HG3 LYS 45 1HG LYS 45 7.524 6.144 -2.901
324 HD2 LYS 45 2HD LYS 45 5.883 4.026 -4.293
325 HD3 LYS 45 1HD LYS 45 6.185 5.649 -4.907
326 HE2 LYS 45 2HE LYS 45 8.572 5.163 -5.056
327 HE3 LYS 45 1HE LYS 45 8.312 3.573 -4.348
328 HZ1 LYS 45 1HZ LYS 45 7.289 4.485 -6.990
329 HZ2 LYS 45 2HZ LYS 45 6.965 2.989 -6.275
330 HZ3 LYS 45 3HZ LYS 45 8.537 3.383 -6.685
331 H ASN 46 HN ASN 46 9.920 4.325 -0.146
332 HA ASN 46 HA ASN 46 10.299 6.925 1.014
333 HB2 ASN 46 2HB ASN 46 12.312 4.826 0.197
334 HB3 ASN 46 1HB ASN 46 12.723 6.333 0.993
335 HD21 ASN 46 1HD2 ASN 46 13.586 5.374 2.752
336 HD22 ASN 46 2HD2 ASN 46 12.659 4.509 3.923
337 H CYS 47 HN CYS 47 11.033 8.704 0.109
338 HA CYS 47 HA CYS 47 12.220 8.573 -2.537
339 HB2 CYS 47 2HB CYS 47 10.280 10.698 -1.549
340 HB3 CYS 47 1HB CYS 47 11.051 10.654 -3.128
Start of MODEL 9
1 H1 LYS 1 1HT LYS 1 13.071 12.362 2.598
2 H2 LYS 1 2HT LYS 1 12.590 11.558 1.151
3 H3 LYS 1 3HT LYS 1 12.847 10.696 2.541
4 HA LYS 1 HA LYS 1 10.984 11.613 3.630
5 HB2 LYS 1 2HB LYS 1 11.156 13.876 2.418
6 HB3 LYS 1 1HB LYS 1 10.451 13.077 1.023
7 HG2 LYS 1 2HG LYS 1 8.427 12.592 2.332
8 HG3 LYS 1 1HG LYS 1 9.141 13.402 3.722
9 HD2 LYS 1 2HD LYS 1 7.625 14.921 2.673
10 HD3 LYS 1 1HD LYS 1 9.265 15.485 2.360
11 HE2 LYS 1 2HE LYS 1 7.955 15.696 0.351
12 HE3 LYS 1 1HE LYS 1 9.150 14.429 0.117
13 HZ1 LYS 1 1HZ LYS 1 7.012 13.797 -0.744
14 HZ2 LYS 1 2HZ LYS 1 6.265 14.021 0.739
15 HZ3 LYS 1 3HZ LYS 1 7.374 12.765 0.534
16 H THR 2 HN THR 2 8.819 10.699 3.174
17 HA THR 2 HA THR 2 9.078 8.451 1.479
18 HB THR 2 HB THR 2 6.723 8.033 2.261
19 HG1 THR 2 1HG THR 2 5.731 9.507 3.387
20 HG21 THR 2 1HG2 THR 2 7.423 7.460 4.552
21 HG22 THR 2 2HG2 THR 2 8.847 8.495 4.358
22 HG23 THR 2 3HG2 THR 2 8.656 7.057 3.353
23 H CYS 3 HN CYS 3 7.803 7.989 -0.221
24 HA CYS 3 HA CYS 3 6.311 10.197 -1.472
25 HB2 CYS 3 2HB CYS 3 7.756 7.913 -2.866
26 HB3 CYS 3 1HB CYS 3 6.917 9.251 -3.645
27 H GLU 4 HN GLU 4 4.248 9.508 -2.321
28 HA GLU 4 HA GLU 4 3.543 6.751 -1.754
29 HB2 GLU 4 2HB GLU 4 3.291 8.057 0.327
30 HB3 GLU 4 1HB GLU 4 2.141 9.092 -0.497
31 HG2 GLU 4 2HG GLU 4 0.616 7.262 -0.747
32 HG3 GLU 4 1HG GLU 4 1.799 6.141 -0.063
33 H ASN 5 HN ASN 5 2.304 6.033 -3.316
34 HA ASN 5 HA ASN 5 0.482 7.829 -4.724
35 HB2 ASN 5 2HB ASN 5 2.605 7.669 -6.033
36 HB3 ASN 5 1HB ASN 5 2.448 5.922 -6.049
37 HD21 ASN 5 1HD2 ASN 5 2.438 5.883 -8.293
38 HD22 ASN 5 2HD2 ASN 5 1.101 6.401 -9.228
39 H LEU 6 HN LEU 6 -1.066 6.475 -6.027
40 HA LEU 6 HA LEU 6 -2.257 4.475 -4.461
41 HB2 LEU 6 2HB LEU 6 -2.686 5.414 -7.271
42 HB3 LEU 6 1HB LEU 6 -3.550 4.031 -6.643
43 HG LEU 6 HG LEU 6 -3.681 6.771 -5.369
44 HD11 LEU 6 1HD1 LEU 6 -5.571 5.421 -7.292
45 HD12 LEU 6 2HD1 LEU 6 -4.585 6.846 -7.649
46 HD13 LEU 6 3HD1 LEU 6 -5.869 6.933 -6.437
47 HD21 LEU 6 1HD2 LEU 6 -5.382 4.297 -5.108
48 HD22 LEU 6 2HD2 LEU 6 -5.660 5.844 -4.317
49 HD23 LEU 6 3HD2 LEU 6 -4.235 4.892 -3.904
50 H ALA 7 HN ALA 7 -2.322 2.354 -4.622
51 HA ALA 7 HA ALA 7 -0.173 0.993 -5.918
52 HB1 ALA 7 1HB ALA 7 -2.625 -0.090 -4.542
53 HB2 ALA 7 2HB ALA 7 -1.087 0.263 -3.762
54 HB3 ALA 7 3HB ALA 7 -1.189 -1.027 -4.972
55 H ASP 8 HN ASP 8 -0.179 0.272 -7.915
56 HA ASP 8 HA ASP 8 -2.671 0.308 -9.465
57 HB2 ASP 8 2HB ASP 8 -0.846 1.640 -10.352
58 HB3 ASP 8 1HB ASP 8 0.221 0.241 -10.328
59 H THR 9 HN THR 9 0.079 -1.737 -8.570
60 HA THR 9 HA THR 9 -0.608 -3.956 -10.108
61 HB THR 9 HB THR 9 0.931 -3.810 -7.509
62 HG1 THR 9 1HG THR 9 2.460 -2.879 -8.583
63 HG21 THR 9 1HG2 THR 9 2.133 -5.731 -8.421
64 HG22 THR 9 2HG2 THR 9 1.089 -5.699 -9.852
65 HG23 THR 9 3HG2 THR 9 0.405 -6.073 -8.264
66 H TYR 10 HN TYR 10 -1.442 -2.843 -6.881
67 HA TYR 10 HA TYR 10 -2.842 -5.202 -6.146
68 HB2 TYR 10 2HB TYR 10 -1.917 -3.570 -4.491
69 HB3 TYR 10 1HB TYR 10 -3.116 -2.401 -5.033
70 HD1 TYR 10 1HD TYR 10 -5.288 -2.405 -4.104
71 HD2 TYR 10 2HD TYR 10 -2.728 -5.733 -3.495
72 HE1 TYR 10 1HE TYR 10 -6.873 -3.304 -2.504
73 HE2 TYR 10 2HE TYR 10 -4.295 -6.665 -1.887
74 HH TYR 10 HH TYR 10 -6.061 -5.951 -0.452
75 H LYS 11 HN LYS 11 -4.752 -5.758 -6.834
76 HA LYS 11 HA LYS 11 -6.309 -3.743 -8.240
77 HB2 LYS 11 2HB LYS 11 -7.162 -5.623 -9.641
78 HB3 LYS 11 1HB LYS 11 -5.442 -5.309 -9.803
79 HG2 LYS 11 2HG LYS 11 -5.011 -7.201 -8.238
80 HG3 LYS 11 1HG LYS 11 -6.737 -7.546 -8.257
81 HD2 LYS 11 2HD LYS 11 -5.647 -9.017 -9.811
82 HD3 LYS 11 1HD LYS 11 -6.582 -7.830 -10.724
83 HE2 LYS 11 2HE LYS 11 -4.558 -6.545 -11.159
84 HE3 LYS 11 1HE LYS 11 -3.619 -7.668 -10.188
85 HZ1 LYS 11 1HZ LYS 11 -5.028 -8.308 -12.726
86 HZ2 LYS 11 2HZ LYS 11 -4.201 -9.422 -11.783
87 HZ3 LYS 11 3HZ LYS 11 -3.367 -8.157 -12.506
88 H GLY 12 HN GLY 12 -8.143 -3.231 -7.381
89 HA2 GLY 12 2HA GLY 12 -10.363 -4.107 -6.770
90 HA3 GLY 12 1HA GLY 12 -9.516 -5.189 -5.673
91 HA PRO 13 HA PRO 13 -10.430 -1.103 -3.522
92 HB2 PRO 13 2HB PRO 13 -12.696 -1.714 -2.169
93 HB3 PRO 13 1HB PRO 13 -12.730 -1.026 -3.794
94 HG2 PRO 13 2HG PRO 13 -13.128 -3.850 -2.926
95 HG3 PRO 13 1HG PRO 13 -13.944 -2.950 -4.213
96 HD2 PRO 13 2HD PRO 13 -11.894 -4.754 -4.618
97 HD3 PRO 13 1HD PRO 13 -12.322 -3.450 -5.741
98 H CYS 14 HN CYS 14 -9.662 -0.830 -1.467
99 HA CYS 14 HA CYS 14 -8.874 -3.271 -0.103
100 HB2 CYS 14 2HB CYS 14 -7.116 -1.666 -0.552
101 HB3 CYS 14 1HB CYS 14 -8.017 -0.411 0.293
102 H PHE 15 HN PHE 15 -10.071 -3.977 1.457
103 HA PHE 15 HA PHE 15 -11.862 -2.168 2.867
104 HB2 PHE 15 2HB PHE 15 -11.656 -5.186 3.007
105 HB3 PHE 15 1HB PHE 15 -12.916 -4.191 3.720
106 HD1 PHE 15 1HD PHE 15 -14.295 -2.736 2.094
107 HD2 PHE 15 2HD PHE 15 -11.944 -6.071 0.888
108 HE1 PHE 15 1HE PHE 15 -15.603 -2.907 0.030
109 HE2 PHE 15 2HE PHE 15 -13.253 -6.246 -1.184
110 HZ PHE 15 HZ PHE 15 -15.087 -4.662 -1.615
111 H THR 16 HN THR 16 -9.330 -4.551 3.418
112 HA THR 16 HA THR 16 -8.990 -3.571 6.164
113 HB THR 16 HB THR 16 -7.923 -6.107 4.953
114 HG1 THR 16 1HG THR 16 -10.471 -5.447 5.923
115 HG21 THR 16 1HG2 THR 16 -8.462 -5.279 7.808
116 HG22 THR 16 2HG2 THR 16 -6.878 -5.383 7.033
117 HG23 THR 16 3HG2 THR 16 -7.827 -6.844 7.300
118 H THR 17 HN THR 17 -7.397 -2.073 6.152
119 HA THR 17 HA THR 17 -5.630 -1.666 4.062
120 HB THR 17 HB THR 17 -6.250 0.138 5.657
121 HG1 THR 17 1HG THR 17 -3.424 -0.197 5.617
122 HG21 THR 17 1HG2 THR 17 -6.070 -1.094 7.760
123 HG22 THR 17 2HG2 THR 17 -5.032 0.336 7.797
124 HG23 THR 17 3HG2 THR 17 -4.332 -1.258 7.523
125 H GLY 18 HN GLY 18 -5.181 -3.631 6.931
126 HA2 GLY 18 2HA GLY 18 -2.402 -3.903 6.800
127 HA3 GLY 18 1HA GLY 18 -3.506 -5.053 7.537
128 H SER 19 HN SER 19 -4.928 -5.465 4.967
129 HA SER 19 HA SER 19 -3.324 -7.632 4.080
130 HB2 SER 19 2HB SER 19 -5.868 -6.522 2.875
131 HB3 SER 19 1HB SER 19 -5.226 -8.163 2.703
132 HG SER 19 HG SER 19 -5.329 -7.786 5.244
133 H CYS 20 HN CYS 20 -4.150 -4.428 2.848
134 HA CYS 20 HA CYS 20 -2.810 -4.840 0.338
135 HB2 CYS 20 2HB CYS 20 -4.771 -3.312 0.607
136 HB3 CYS 20 1HB CYS 20 -3.769 -2.267 1.605
137 H ASP 21 HN ASP 21 -2.123 -3.435 3.467
138 HA ASP 21 HA ASP 21 0.332 -2.191 3.012
139 HB2 ASP 21 2HB ASP 21 -0.877 -2.028 5.142
140 HB3 ASP 21 1HB ASP 21 -0.643 -3.745 5.421
141 H ASP 22 HN ASP 22 -0.473 -5.491 3.816
142 HA ASP 22 HA ASP 22 2.061 -6.660 3.830
143 HB2 ASP 22 2HB ASP 22 0.061 -7.824 4.606
144 HB3 ASP 22 1HB ASP 22 -0.595 -7.770 2.979
145 H HIS 23 HN HIS 23 -0.239 -6.232 1.166
146 HA HIS 23 HA HIS 23 1.245 -7.512 -0.833
147 HB2 HIS 23 2HB HIS 23 -1.126 -7.008 -1.151
148 HB3 HIS 23 1HB HIS 23 -0.801 -5.285 -1.071
149 HD1 HIS 23 1HD HIS 23 -0.683 -8.208 -3.447
150 HD2 HIS 23 2HD HIS 23 0.289 -4.162 -3.414
151 HE1 HIS 23 1HE HIS 23 -0.383 -7.544 -5.848
152 H CYS 24 HN CYS 24 1.030 -4.041 -0.105
153 HA CYS 24 HA CYS 24 2.900 -3.351 -2.051
154 HB2 CYS 24 2HB CYS 24 1.875 -1.825 0.320
155 HB3 CYS 24 1HB CYS 24 3.016 -1.123 -0.823
156 H LYS 25 HN LYS 25 3.462 -4.345 1.254
157 HA LYS 25 HA LYS 25 6.215 -3.486 1.182
158 HB2 LYS 25 2HB LYS 25 4.837 -5.386 3.060
159 HB3 LYS 25 1HB LYS 25 6.458 -4.740 3.283
160 HG2 LYS 25 2HG LYS 25 5.561 -2.501 3.481
161 HG3 LYS 25 1HG LYS 25 3.932 -3.113 3.187
162 HD2 LYS 25 2HD LYS 25 5.711 -3.719 5.549
163 HD3 LYS 25 1HD LYS 25 4.228 -2.767 5.552
164 HE2 LYS 25 2HE LYS 25 2.997 -4.814 4.800
165 HE3 LYS 25 1HE LYS 25 4.485 -5.727 5.029
166 HZ1 LYS 25 1HZ LYS 25 2.885 -4.304 7.021
167 HZ2 LYS 25 2HZ LYS 25 4.438 -4.926 7.371
168 HZ3 LYS 25 3HZ LYS 25 3.168 -5.968 6.965
169 H ASN 26 HN ASN 26 4.478 -6.466 0.541
170 HA ASN 26 HA ASN 26 6.991 -7.906 0.284
171 HB2 ASN 26 2HB ASN 26 4.136 -8.857 0.141
172 HB3 ASN 26 1HB ASN 26 5.500 -9.897 -0.243
173 HD21 ASN 26 1HD2 ASN 26 3.703 -8.329 2.244
174 HD22 ASN 26 2HD2 ASN 26 4.500 -9.075 3.582
175 H LYS 27 HN LYS 27 4.157 -7.445 -1.804
176 HA LYS 27 HA LYS 27 5.431 -8.488 -4.092
177 HB2 LYS 27 2HB LYS 27 3.060 -8.591 -4.021
178 HB3 LYS 27 1HB LYS 27 2.919 -6.875 -3.684
179 HG2 LYS 27 2HG LYS 27 2.251 -7.317 -5.952
180 HG3 LYS 27 1HG LYS 27 3.753 -6.393 -5.954
181 HD2 LYS 27 2HD LYS 27 4.942 -8.624 -6.196
182 HD3 LYS 27 1HD LYS 27 3.352 -9.312 -6.548
183 HE2 LYS 27 2HE LYS 27 4.440 -8.771 -8.608
184 HE3 LYS 27 1HE LYS 27 3.099 -7.654 -8.368
185 HZ1 LYS 27 1HZ LYS 27 5.957 -7.063 -7.792
186 HZ2 LYS 27 2HZ LYS 27 4.703 -5.956 -7.599
187 HZ3 LYS 27 3HZ LYS 27 5.120 -6.499 -9.128
188 H GLU 28 HN GLU 28 4.715 -5.191 -3.070
189 HA GLU 28 HA GLU 28 6.120 -4.215 -5.408
190 HB2 GLU 28 2HB GLU 28 4.561 -2.713 -3.317
191 HB3 GLU 28 1HB GLU 28 5.306 -1.984 -4.735
192 HG2 GLU 28 2HG GLU 28 3.191 -4.124 -4.813
193 HG3 GLU 28 1HG GLU 28 2.901 -2.400 -5.027
194 H HIS 29 HN HIS 29 6.901 -4.916 -2.245
195 HA HIS 29 HA HIS 29 8.770 -4.661 -0.973
196 HB2 HIS 29 2HB HIS 29 9.860 -5.373 -3.136
197 HB3 HIS 29 1HB HIS 29 10.044 -3.683 -3.566
198 HD1 HIS 29 1HD HIS 29 12.189 -2.572 -2.794
199 HD2 HIS 29 2HD HIS 29 11.433 -6.155 -0.834
200 HE1 HIS 29 1HE HIS 29 14.270 -3.081 -1.449
201 H LEU 30 HN LEU 30 6.874 -2.496 -1.168
202 HA LEU 30 HA LEU 30 8.461 -0.066 -1.049
203 HB2 LEU 30 2HB LEU 30 5.499 -0.457 -0.606
204 HB3 LEU 30 1HB LEU 30 6.319 1.080 -0.769
205 HG LEU 30 HG LEU 30 5.960 -1.002 -2.912
206 HD11 LEU 30 1HD1 LEU 30 4.593 0.681 -4.004
207 HD12 LEU 30 2HD1 LEU 30 4.814 1.760 -2.627
208 HD13 LEU 30 3HD1 LEU 30 3.947 0.236 -2.425
209 HD21 LEU 30 1HD2 LEU 30 6.991 0.633 -4.438
210 HD22 LEU 30 2HD2 LEU 30 8.115 0.067 -3.206
211 HD23 LEU 30 3HD2 LEU 30 7.387 1.664 -3.063
212 H ARG 31 HN ARG 31 7.266 1.379 0.915
213 HA ARG 31 HA ARG 31 8.538 0.263 3.221
214 HB2 ARG 31 2HB ARG 31 8.747 2.631 2.809
215 HB3 ARG 31 1HB ARG 31 7.005 2.822 2.761
216 HG2 ARG 31 2HG ARG 31 6.877 2.300 5.146
217 HG3 ARG 31 1HG ARG 31 8.631 2.093 5.192
218 HD2 ARG 31 2HD ARG 31 8.951 4.396 4.530
219 HD3 ARG 31 1HD ARG 31 7.214 4.617 4.367
220 HE ARG 31 HE ARG 31 7.124 4.113 6.798
221 HH11 ARG 31 1HH1 ARG 31 10.031 5.594 5.354
222 HH12 ARG 31 2HH1 ARG 31 10.475 6.416 6.772
223 HH21 ARG 31 1HH2 ARG 31 7.761 5.286 8.746
224 HH22 ARG 31 2HH2 ARG 31 9.154 6.252 8.739
225 H SER 32 HN SER 32 5.198 1.192 2.381
226 HA SER 32 HA SER 32 4.091 -0.945 3.844
227 HB2 SER 32 2HB SER 32 2.925 0.525 5.538
228 HB3 SER 32 1HB SER 32 4.654 0.318 5.800
229 HG SER 32 HG SER 32 3.223 2.552 5.284
230 H GLY 33 HN GLY 33 1.607 -0.463 4.052
231 HA2 GLY 33 2HA GLY 33 0.776 1.202 1.790
232 HA3 GLY 33 1HA GLY 33 0.158 -0.436 1.967
233 H ARG 34 HN ARG 34 -1.107 2.320 2.116
234 HA ARG 34 HA ARG 34 -2.643 1.592 4.420
235 HB2 ARG 34 2HB ARG 34 -2.824 4.003 5.131
236 HB3 ARG 34 1HB ARG 34 -1.311 3.197 5.475
237 HG2 ARG 34 2HG ARG 34 -0.270 4.321 3.587
238 HG3 ARG 34 1HG ARG 34 -1.805 5.119 3.213
239 HD2 ARG 34 2HD ARG 34 -1.809 6.227 5.320
240 HD3 ARG 34 1HD ARG 34 -0.381 5.343 5.856
241 HE ARG 34 HE ARG 34 0.252 6.750 3.515
242 HH11 ARG 34 1HH1 ARG 34 -0.646 7.513 6.857
243 HH12 ARG 34 2HH1 ARG 34 0.332 8.894 6.937
244 HH21 ARG 34 1HH2 ARG 34 1.516 8.543 3.611
245 HH22 ARG 34 2HH2 ARG 34 1.627 9.532 5.020
246 H CYS 35 HN CYS 35 -4.559 1.446 4.003
247 HA CYS 35 HA CYS 35 -5.618 2.498 1.539
248 HB2 CYS 35 2HB CYS 35 -6.944 0.797 3.646
249 HB3 CYS 35 1HB CYS 35 -7.471 1.041 1.981
250 H ARG 36 HN ARG 36 -6.640 4.291 1.479
251 HA ARG 36 HA ARG 36 -7.253 5.799 3.839
252 HB2 ARG 36 2HB ARG 36 -7.756 6.261 0.909
253 HB3 ARG 36 1HB ARG 36 -8.306 7.375 2.156
254 HG2 ARG 36 2HG ARG 36 -5.427 6.561 1.889
255 HG3 ARG 36 1HG ARG 36 -6.111 7.933 1.014
256 HD2 ARG 36 2HD ARG 36 -6.196 7.610 4.020
257 HD3 ARG 36 1HD ARG 36 -4.999 8.564 3.147
258 HE ARG 36 HE ARG 36 -7.246 9.589 2.208
259 HH11 ARG 36 1HH1 ARG 36 -6.452 8.867 5.597
260 HH12 ARG 36 2HH1 ARG 36 -7.235 10.252 6.207
261 HH21 ARG 36 1HH2 ARG 36 -8.330 11.489 3.092
262 HH22 ARG 36 2HH2 ARG 36 -8.341 11.741 4.769
263 H ASP 37 HN ASP 37 -9.526 6.873 3.905
264 HA ASP 37 HA ASP 37 -11.368 4.833 4.510
265 HB2 ASP 37 2HB ASP 37 -11.308 7.027 5.666
266 HB3 ASP 37 1HB ASP 37 -11.884 7.798 4.195
267 H ASP 38 HN ASP 38 -10.711 6.508 1.621
268 HA ASP 38 HA ASP 38 -13.200 5.949 0.280
269 HB2 ASP 38 2HB ASP 38 -10.509 6.808 -0.812
270 HB3 ASP 38 1HB ASP 38 -11.935 6.572 -1.809
271 H PHE 39 HN PHE 39 -11.058 3.870 1.406
272 HA PHE 39 HA PHE 39 -10.600 1.684 1.074
273 HB2 PHE 39 2HB PHE 39 -12.574 1.877 -1.229
274 HB3 PHE 39 1HB PHE 39 -11.880 0.374 -0.638
275 HD1 PHE 39 1HD PHE 39 -12.575 -0.550 1.490
276 HD2 PHE 39 2HD PHE 39 -14.290 3.042 0.007
277 HE1 PHE 39 1HE PHE 39 -14.417 -0.757 3.117
278 HE2 PHE 39 2HE PHE 39 -16.119 2.847 1.630
279 HZ PHE 39 HZ PHE 39 -16.189 0.952 3.182
280 H ARG 40 HN ARG 40 -9.252 3.908 -0.454
281 HA ARG 40 HA ARG 40 -8.078 2.315 -2.611
282 HB2 ARG 40 2HB ARG 40 -8.366 5.236 -2.252
283 HB3 ARG 40 1HB ARG 40 -6.912 4.677 -3.070
284 HG2 ARG 40 2HG ARG 40 -8.621 5.215 -4.675
285 HG3 ARG 40 1HG ARG 40 -8.284 3.480 -4.655
286 HD2 ARG 40 2HD ARG 40 -10.245 3.162 -3.195
287 HD3 ARG 40 1HD ARG 40 -10.605 4.877 -3.344
288 HE ARG 40 HE ARG 40 -10.400 3.896 -5.883
289 HH11 ARG 40 1HH1 ARG 40 -12.518 3.566 -3.063
290 HH12 ARG 40 2HH1 ARG 40 -13.831 2.942 -3.938
291 HH21 ARG 40 1HH2 ARG 40 -12.236 3.024 -7.091
292 HH22 ARG 40 2HH2 ARG 40 -13.679 2.626 -6.268
293 H CYS 41 HN CYS 41 -6.134 1.648 -2.678
294 HA CYS 41 HA CYS 41 -4.491 1.745 -0.342
295 HB2 CYS 41 2HB CYS 41 -4.234 0.417 -3.012
296 HB3 CYS 41 1HB CYS 41 -2.956 0.340 -1.819
297 H TRP 42 HN TRP 42 -3.392 3.566 0.014
298 HA TRP 42 HA TRP 42 -1.700 4.558 -2.149
299 HB2 TRP 42 2HB TRP 42 -2.970 5.823 0.204
300 HB3 TRP 42 1HB TRP 42 -1.288 6.267 -0.042
301 HD1 TRP 42 1HD TRP 42 -0.697 7.618 -2.292
302 HE1 TRP 42 1HE TRP 42 -2.129 9.132 -3.783
303 HE3 TRP 42 3HE TRP 42 -5.365 6.122 -0.764
304 HZ2 TRP 42 2HZ TRP 42 -4.854 9.646 -4.250
305 HZ3 TRP 42 3HZ TRP 42 -7.320 7.207 -1.789
306 HH2 TRP 42 2HH TRP 42 -7.063 8.922 -3.498
307 H CYS 43 HN CYS 43 0.274 3.737 -2.108
308 HA CYS 43 HA CYS 43 1.088 2.621 0.443
309 HB2 CYS 43 2HB CYS 43 1.825 1.677 -2.318
310 HB3 CYS 43 1HB CYS 43 2.476 1.009 -0.816
311 H THR 44 HN THR 44 2.707 3.248 1.445
312 HA THR 44 HA THR 44 4.106 5.593 0.645
313 HB THR 44 HB THR 44 4.499 3.882 3.093
314 HG1 THR 44 1HG THR 44 2.482 5.879 2.641
315 HG21 THR 44 1HG2 THR 44 6.050 5.756 2.780
316 HG22 THR 44 2HG2 THR 44 4.973 6.057 4.147
317 HG23 THR 44 3HG2 THR 44 4.686 6.856 2.600
318 H LYS 45 HN LYS 45 6.220 5.633 -0.055
319 HA LYS 45 HA LYS 45 7.915 3.326 0.467
320 HB2 LYS 45 2HB LYS 45 8.878 3.441 -1.785
321 HB3 LYS 45 1HB LYS 45 7.146 3.150 -1.845
322 HG2 LYS 45 2HG LYS 45 6.731 5.424 -2.509
323 HG3 LYS 45 1HG LYS 45 8.438 5.827 -2.303
324 HD2 LYS 45 2HD LYS 45 9.030 4.206 -4.041
325 HD3 LYS 45 1HD LYS 45 7.327 3.819 -4.259
326 HE2 LYS 45 2HE LYS 45 8.481 6.569 -4.636
327 HE3 LYS 45 1HE LYS 45 8.316 5.401 -5.942
328 HZ1 LYS 45 1HZ LYS 45 6.484 6.925 -5.912
329 HZ2 LYS 45 2HZ LYS 45 6.063 6.531 -4.338
330 HZ3 LYS 45 3HZ LYS 45 5.918 5.396 -5.555
331 H ASN 46 HN ASN 46 10.267 3.996 0.115
332 HA ASN 46 HA ASN 46 10.547 6.625 1.392
333 HB2 ASN 46 2HB ASN 46 12.413 4.248 1.326
334 HB3 ASN 46 1HB ASN 46 12.862 5.812 1.982
335 HD21 ASN 46 1HD2 ASN 46 12.686 3.220 3.228
336 HD22 ASN 46 2HD2 ASN 46 11.635 3.393 4.585
337 H CYS 47 HN CYS 47 11.843 8.192 0.552
338 HA CYS 47 HA CYS 47 13.217 7.576 -1.936
339 HB2 CYS 47 2HB CYS 47 11.516 10.010 -1.374
340 HB3 CYS 47 1HB CYS 47 12.472 9.741 -2.830
Start of MODEL 10
1 H1 LYS 1 1HT LYS 1 12.146 10.818 3.232
2 H2 LYS 1 2HT LYS 1 12.720 12.345 2.834
3 H3 LYS 1 3HT LYS 1 12.518 11.144 1.631
4 HA LYS 1 HA LYS 1 10.333 12.358 3.201
5 HB2 LYS 1 2HB LYS 1 11.309 13.835 1.424
6 HB3 LYS 1 1HB LYS 1 11.048 12.554 0.253
7 HG2 LYS 1 2HG LYS 1 8.615 12.717 0.669
8 HG3 LYS 1 1HG LYS 1 8.918 14.070 1.756
9 HD2 LYS 1 2HD LYS 1 9.953 15.305 -0.104
10 HD3 LYS 1 1HD LYS 1 9.592 13.956 -1.182
11 HE2 LYS 1 2HE LYS 1 7.191 14.244 -0.683
12 HE3 LYS 1 1HE LYS 1 7.588 15.638 0.318
13 HZ1 LYS 1 1HZ LYS 1 6.898 16.346 -1.851
14 HZ2 LYS 1 2HZ LYS 1 8.027 15.367 -2.596
15 HZ3 LYS 1 3HZ LYS 1 8.548 16.691 -1.697
16 H THR 2 HN THR 2 8.262 11.361 2.687
17 HA THR 2 HA THR 2 8.668 8.775 1.471
18 HB THR 2 HB THR 2 6.337 8.361 2.509
19 HG1 THR 2 1HG THR 2 5.595 10.029 3.518
20 HG21 THR 2 1HG2 THR 2 7.391 7.685 4.638
21 HG22 THR 2 2HG2 THR 2 8.803 8.665 4.234
22 HG23 THR 2 3HG2 THR 2 8.388 7.265 3.244
23 H CYS 3 HN CYS 3 7.763 8.242 -0.312
24 HA CYS 3 HA CYS 3 5.979 10.134 -1.663
25 HB2 CYS 3 2HB CYS 3 7.438 7.702 -2.744
26 HB3 CYS 3 1HB CYS 3 6.533 8.869 -3.695
27 H GLU 4 HN GLU 4 3.960 9.292 -2.432
28 HA GLU 4 HA GLU 4 3.215 6.677 -1.457
29 HB2 GLU 4 2HB GLU 4 3.057 8.269 0.456
30 HB3 GLU 4 1HB GLU 4 1.905 9.209 -0.463
31 HG2 GLU 4 2HG GLU 4 0.324 7.430 -0.391
32 HG3 GLU 4 1HG GLU 4 1.501 6.358 0.385
33 H ASN 5 HN ASN 5 2.128 5.851 -3.077
34 HA ASN 5 HA ASN 5 0.335 7.549 -4.652
35 HB2 ASN 5 2HB ASN 5 1.133 6.479 -6.754
36 HB3 ASN 5 1HB ASN 5 2.362 7.464 -5.974
37 HD21 ASN 5 1HD2 ASN 5 1.398 4.190 -6.812
38 HD22 ASN 5 2HD2 ASN 5 2.931 3.484 -6.475
39 H LEU 6 HN LEU 6 -1.108 6.248 -6.052
40 HA LEU 6 HA LEU 6 -2.321 4.241 -4.474
41 HB2 LEU 6 2HB LEU 6 -2.947 5.228 -7.240
42 HB3 LEU 6 1HB LEU 6 -3.856 3.972 -6.438
43 HG LEU 6 HG LEU 6 -3.586 6.814 -5.453
44 HD11 LEU 6 1HD1 LEU 6 -4.989 6.611 -7.449
45 HD12 LEU 6 2HD1 LEU 6 -5.949 6.939 -5.991
46 HD13 LEU 6 3HD1 LEU 6 -5.883 5.308 -6.658
47 HD21 LEU 6 1HD2 LEU 6 -5.316 6.130 -3.875
48 HD22 LEU 6 2HD2 LEU 6 -3.805 5.274 -3.626
49 HD23 LEU 6 3HD2 LEU 6 -5.153 4.465 -4.433
50 H ALA 7 HN ALA 7 -2.449 2.218 -4.656
51 HA ALA 7 HA ALA 7 -0.498 0.846 -6.258
52 HB1 ALA 7 1HB ALA 7 -2.500 -0.178 -4.267
53 HB2 ALA 7 2HB ALA 7 -0.845 0.291 -3.905
54 HB3 ALA 7 3HB ALA 7 -1.159 -1.106 -4.953
55 H ASP 8 HN ASP 8 -1.104 0.672 -8.311
56 HA ASP 8 HA ASP 8 -3.826 0.098 -9.124
57 HB2 ASP 8 2HB ASP 8 -2.943 0.060 -11.419
58 HB3 ASP 8 1HB ASP 8 -2.360 1.487 -10.572
59 H THR 9 HN THR 9 -1.020 -1.601 -8.249
60 HA THR 9 HA THR 9 -1.541 -4.060 -9.514
61 HB THR 9 HB THR 9 0.096 -3.512 -7.038
62 HG1 THR 9 1HG THR 9 0.719 -3.128 -9.789
63 HG21 THR 9 1HG2 THR 9 1.512 -5.251 -7.989
64 HG22 THR 9 2HG2 THR 9 0.421 -5.386 -9.375
65 HG23 THR 9 3HG2 THR 9 -0.136 -5.844 -7.761
66 H TYR 10 HN TYR 10 -2.759 -2.419 -6.743
67 HA TYR 10 HA TYR 10 -3.548 -4.805 -5.343
68 HB2 TYR 10 2HB TYR 10 -2.848 -2.775 -4.097
69 HB3 TYR 10 1HB TYR 10 -4.213 -1.904 -4.785
70 HD1 TYR 10 1HD TYR 10 -6.402 -2.152 -3.888
71 HD2 TYR 10 2HD TYR 10 -3.239 -4.611 -2.485
72 HE1 TYR 10 1HE TYR 10 -7.808 -2.878 -2.054
73 HE2 TYR 10 2HE TYR 10 -4.636 -5.360 -0.627
74 HH TYR 10 HH TYR 10 -6.661 -4.499 0.643
75 H LYS 11 HN LYS 11 -5.333 -5.823 -5.715
76 HA LYS 11 HA LYS 11 -7.268 -4.647 -7.556
77 HB2 LYS 11 2HB LYS 11 -6.722 -7.532 -6.852
78 HB3 LYS 11 1HB LYS 11 -7.835 -6.968 -8.096
79 HG2 LYS 11 2HG LYS 11 -6.063 -6.083 -9.411
80 HG3 LYS 11 1HG LYS 11 -4.905 -6.304 -8.107
81 HD2 LYS 11 2HD LYS 11 -5.181 -8.747 -8.321
82 HD3 LYS 11 1HD LYS 11 -6.284 -8.480 -9.676
83 HE2 LYS 11 2HE LYS 11 -4.547 -7.400 -10.945
84 HE3 LYS 11 1HE LYS 11 -3.448 -7.470 -9.579
85 HZ1 LYS 11 1HZ LYS 11 -2.983 -9.206 -11.205
86 HZ2 LYS 11 2HZ LYS 11 -4.522 -9.860 -10.993
87 HZ3 LYS 11 3HZ LYS 11 -3.422 -9.844 -9.720
88 H GLY 12 HN GLY 12 -8.936 -3.793 -6.574
89 HA2 GLY 12 2HA GLY 12 -11.099 -4.328 -5.625
90 HA3 GLY 12 1HA GLY 12 -10.257 -5.297 -4.418
91 HA PRO 13 HA PRO 13 -10.593 -0.920 -2.748
92 HB2 PRO 13 2HB PRO 13 -12.909 -1.626 -1.164
93 HB3 PRO 13 1HB PRO 13 -12.787 -0.374 -2.401
94 HG2 PRO 13 2HG PRO 13 -14.310 -2.631 -2.682
95 HG3 PRO 13 1HG PRO 13 -13.615 -1.733 -4.041
96 HD2 PRO 13 2HD PRO 13 -12.623 -4.212 -2.704
97 HD3 PRO 13 1HD PRO 13 -12.704 -3.834 -4.442
98 H CYS 14 HN CYS 14 -9.692 -0.540 -0.731
99 HA CYS 14 HA CYS 14 -9.003 -2.948 0.701
100 HB2 CYS 14 2HB CYS 14 -7.208 -1.351 0.247
101 HB3 CYS 14 1HB CYS 14 -8.059 -0.122 1.184
102 H PHE 15 HN PHE 15 -9.988 -3.643 2.389
103 HA PHE 15 HA PHE 15 -11.626 -1.770 3.910
104 HB2 PHE 15 2HB PHE 15 -11.813 -4.777 3.665
105 HB3 PHE 15 1HB PHE 15 -12.786 -3.827 4.787
106 HD1 PHE 15 1HD PHE 15 -12.282 -4.793 1.308
107 HD2 PHE 15 2HD PHE 15 -14.504 -2.304 3.951
108 HE1 PHE 15 1HE PHE 15 -13.921 -4.369 -0.472
109 HE2 PHE 15 2HE PHE 15 -16.146 -1.879 2.179
110 HZ PHE 15 HZ PHE 15 -15.858 -2.909 -0.040
111 H THR 16 HN THR 16 -9.248 -4.333 4.153
112 HA THR 16 HA THR 16 -8.701 -3.566 6.923
113 HB THR 16 HB THR 16 -7.994 -6.116 5.463
114 HG1 THR 16 1HG THR 16 -10.145 -6.287 5.653
115 HG21 THR 16 1HG2 THR 16 -6.597 -5.603 7.412
116 HG22 THR 16 2HG2 THR 16 -7.624 -7.000 7.725
117 HG23 THR 16 3HG2 THR 16 -8.040 -5.428 8.411
118 H THR 17 HN THR 17 -6.840 -2.425 7.159
119 HA THR 17 HA THR 17 -5.204 -1.630 5.085
120 HB THR 17 HB THR 17 -4.473 -1.731 8.020
121 HG1 THR 17 1HG THR 17 -5.350 0.645 6.956
122 HG21 THR 17 1HG2 THR 17 -2.575 -1.201 6.558
123 HG22 THR 17 2HG2 THR 17 -3.065 0.225 7.475
124 HG23 THR 17 3HG2 THR 17 -3.521 0.067 5.780
125 H GLY 18 HN GLY 18 -4.764 -4.296 7.384
126 HA2 GLY 18 2HA GLY 18 -2.143 -5.004 6.913
127 HA3 GLY 18 1HA GLY 18 -3.409 -6.127 7.370
128 H SER 19 HN SER 19 -4.981 -5.833 4.950
129 HA SER 19 HA SER 19 -3.798 -7.817 3.358
130 HB2 SER 19 2HB SER 19 -5.975 -5.908 2.543
131 HB3 SER 19 1HB SER 19 -5.764 -7.592 2.059
132 HG SER 19 HG SER 19 -6.500 -8.269 3.970
133 H CYS 20 HN CYS 20 -3.898 -4.328 3.206
134 HA CYS 20 HA CYS 20 -2.859 -4.185 0.501
135 HB2 CYS 20 2HB CYS 20 -4.603 -2.661 1.354
136 HB3 CYS 20 1HB CYS 20 -3.454 -2.046 2.531
137 H ASP 21 HN ASP 21 -1.934 -3.540 3.804
138 HA ASP 21 HA ASP 21 0.574 -2.410 3.436
139 HB2 ASP 21 2HB ASP 21 -0.648 -2.425 5.568
140 HB3 ASP 21 1HB ASP 21 -0.440 -4.166 5.677
141 H ASP 22 HN ASP 22 -0.425 -5.765 3.809
142 HA ASP 22 HA ASP 22 2.113 -6.984 3.701
143 HB2 ASP 22 2HB ASP 22 -0.062 -8.070 4.384
144 HB3 ASP 22 1HB ASP 22 -0.502 -8.115 2.684
145 H HIS 23 HN HIS 23 -0.197 -6.061 1.216
146 HA HIS 23 HA HIS 23 1.034 -7.293 -0.993
147 HB2 HIS 23 2HB HIS 23 -1.307 -6.533 -1.047
148 HB3 HIS 23 1HB HIS 23 -0.783 -4.866 -0.894
149 HD1 HIS 23 1HD HIS 23 -1.284 -7.579 -3.422
150 HD2 HIS 23 2HD HIS 23 0.324 -3.745 -3.243
151 HE1 HIS 23 1HE HIS 23 -0.975 -6.830 -5.806
152 H CYS 24 HN CYS 24 1.135 -3.846 -0.071
153 HA CYS 24 HA CYS 24 3.048 -3.433 -2.088
154 HB2 CYS 24 2HB CYS 24 1.927 -1.586 -0.035
155 HB3 CYS 24 1HB CYS 24 3.252 -1.073 -1.078
156 H LYS 25 HN LYS 25 3.520 -4.303 1.208
157 HA LYS 25 HA LYS 25 6.266 -3.415 1.148
158 HB2 LYS 25 2HB LYS 25 4.906 -5.337 3.006
159 HB3 LYS 25 1HB LYS 25 6.540 -4.731 3.221
160 HG2 LYS 25 2HG LYS 25 5.639 -2.460 3.461
161 HG3 LYS 25 1HG LYS 25 4.006 -3.106 3.278
162 HD2 LYS 25 2HD LYS 25 5.969 -3.672 5.504
163 HD3 LYS 25 1HD LYS 25 4.422 -2.830 5.625
164 HE2 LYS 25 2HE LYS 25 3.308 -4.940 4.874
165 HE3 LYS 25 1HE LYS 25 4.886 -5.717 4.972
166 HZ1 LYS 25 1HZ LYS 25 3.309 -4.534 7.154
167 HZ2 LYS 25 2HZ LYS 25 4.899 -5.066 7.374
168 HZ3 LYS 25 3HZ LYS 25 3.683 -6.161 6.966
169 H ASN 26 HN ASN 26 4.542 -6.440 0.626
170 HA ASN 26 HA ASN 26 7.064 -7.845 0.367
171 HB2 ASN 26 2HB ASN 26 4.219 -8.838 0.329
172 HB3 ASN 26 1HB ASN 26 5.628 -9.877 0.131
173 HD21 ASN 26 1HD2 ASN 26 3.523 -9.650 2.252
174 HD22 ASN 26 2HD2 ASN 26 4.404 -9.520 3.721
175 H LYS 27 HN LYS 27 4.231 -7.223 -1.697
176 HA LYS 27 HA LYS 27 5.415 -8.596 -3.936
177 HB2 LYS 27 2HB LYS 27 3.075 -6.677 -3.876
178 HB3 LYS 27 1HB LYS 27 3.507 -7.734 -5.206
179 HG2 LYS 27 2HG LYS 27 2.625 -8.648 -2.477
180 HG3 LYS 27 1HG LYS 27 1.595 -8.551 -3.904
181 HD2 LYS 27 2HD LYS 27 3.064 -10.165 -5.041
182 HD3 LYS 27 1HD LYS 27 4.040 -10.289 -3.574
183 HE2 LYS 27 2HE LYS 27 2.092 -11.089 -2.342
184 HE3 LYS 27 1HE LYS 27 1.111 -10.942 -3.797
185 HZ1 LYS 27 1HZ LYS 27 2.454 -12.628 -4.848
186 HZ2 LYS 27 2HZ LYS 27 1.860 -13.220 -3.377
187 HZ3 LYS 27 3HZ LYS 27 3.457 -12.730 -3.511
188 H GLU 28 HN GLU 28 4.725 -5.236 -3.135
189 HA GLU 28 HA GLU 28 6.160 -4.320 -5.477
190 HB2 GLU 28 2HB GLU 28 4.692 -2.791 -3.338
191 HB3 GLU 28 1HB GLU 28 5.468 -2.055 -4.734
192 HG2 GLU 28 2HG GLU 28 3.217 -4.050 -4.828
193 HG3 GLU 28 1HG GLU 28 3.079 -2.311 -5.097
194 H HIS 29 HN HIS 29 6.911 -4.945 -2.276
195 HA HIS 29 HA HIS 29 8.688 -4.637 -0.942
196 HB2 HIS 29 2HB HIS 29 9.849 -5.602 -2.989
197 HB3 HIS 29 1HB HIS 29 10.238 -3.955 -3.467
198 HD1 HIS 29 1HD HIS 29 12.551 -3.235 -2.737
199 HD2 HIS 29 2HD HIS 29 10.923 -6.144 -0.257
200 HE1 HIS 29 1HE HIS 29 14.302 -3.730 -1.012
201 H LEU 30 HN LEU 30 6.981 -2.496 -1.132
202 HA LEU 30 HA LEU 30 8.712 -0.149 -1.006
203 HB2 LEU 30 2HB LEU 30 5.700 -0.350 -0.850
204 HB3 LEU 30 1HB LEU 30 6.620 1.139 -0.881
205 HG LEU 30 HG LEU 30 6.336 -0.859 -3.116
206 HD11 LEU 30 1HD1 LEU 30 4.391 0.533 -2.823
207 HD12 LEU 30 2HD1 LEU 30 5.251 0.985 -4.295
208 HD13 LEU 30 3HD1 LEU 30 5.392 1.984 -2.849
209 HD21 LEU 30 1HD2 LEU 30 7.996 1.670 -3.023
210 HD22 LEU 30 2HD2 LEU 30 7.665 0.714 -4.465
211 HD23 LEU 30 3HD2 LEU 30 8.598 0.017 -3.146
212 H ARG 31 HN ARG 31 7.533 1.381 0.872
213 HA ARG 31 HA ARG 31 8.571 0.197 3.224
214 HB2 ARG 31 2HB ARG 31 8.844 2.573 2.889
215 HB3 ARG 31 1HB ARG 31 7.101 2.803 2.810
216 HG2 ARG 31 2HG ARG 31 6.893 2.134 5.139
217 HG3 ARG 31 1HG ARG 31 8.629 1.856 5.217
218 HD2 ARG 31 2HD ARG 31 9.026 4.232 4.776
219 HD3 ARG 31 1HD ARG 31 7.286 4.501 4.670
220 HE ARG 31 HE ARG 31 7.514 3.386 7.069
221 HH11 ARG 31 1HH1 ARG 31 9.494 5.985 5.691
222 HH12 ARG 31 2HH1 ARG 31 9.612 6.845 7.160
223 HH21 ARG 31 1HH2 ARG 31 7.723 4.524 9.052
224 HH22 ARG 31 2HH2 ARG 31 8.583 5.995 9.125
225 H SER 32 HN SER 32 5.258 1.241 2.366
226 HA SER 32 HA SER 32 4.123 -0.886 3.955
227 HB2 SER 32 2HB SER 32 3.656 2.010 4.774
228 HB3 SER 32 1HB SER 32 2.879 0.594 5.475
229 HG SER 32 HG SER 32 5.462 0.178 5.578
230 H GLY 33 HN GLY 33 1.690 -0.764 3.789
231 HA2 GLY 33 2HA GLY 33 0.783 0.809 1.478
232 HA3 GLY 33 1HA GLY 33 0.298 -0.872 1.724
233 H ARG 34 HN ARG 34 -0.842 2.157 2.076
234 HA ARG 34 HA ARG 34 -2.330 1.381 4.450
235 HB2 ARG 34 2HB ARG 34 -2.451 3.818 5.039
236 HB3 ARG 34 1HB ARG 34 -0.880 3.057 5.235
237 HG2 ARG 34 2HG ARG 34 -0.174 4.026 3.104
238 HG3 ARG 34 1HG ARG 34 -1.734 4.841 2.963
239 HD2 ARG 34 2HD ARG 34 0.010 6.324 3.841
240 HD3 ARG 34 1HD ARG 34 -1.289 6.077 5.008
241 HE ARG 34 HE ARG 34 0.262 4.330 5.983
242 HH11 ARG 34 1HH1 ARG 34 1.561 7.170 4.307
243 HH12 ARG 34 2HH1 ARG 34 2.938 7.263 5.312
244 HH21 ARG 34 1HH2 ARG 34 2.131 4.439 7.248
245 HH22 ARG 34 2HH2 ARG 34 3.310 5.649 6.982
246 H CYS 35 HN CYS 35 -4.413 1.963 4.590
247 HA CYS 35 HA CYS 35 -5.660 2.463 1.992
248 HB2 CYS 35 2HB CYS 35 -6.839 1.147 4.435
249 HB3 CYS 35 1HB CYS 35 -7.482 1.136 2.791
250 H ARG 36 HN ARG 36 -6.884 4.168 1.787
251 HA ARG 36 HA ARG 36 -7.369 5.796 4.170
252 HB2 ARG 36 2HB ARG 36 -7.211 6.505 1.257
253 HB3 ARG 36 1HB ARG 36 -7.829 7.628 2.467
254 HG2 ARG 36 2HG ARG 36 -5.045 6.450 2.357
255 HG3 ARG 36 1HG ARG 36 -5.499 8.109 1.954
256 HD2 ARG 36 2HD ARG 36 -5.666 6.785 4.672
257 HD3 ARG 36 1HD ARG 36 -4.569 8.070 4.183
258 HE ARG 36 HE ARG 36 -6.691 9.373 3.756
259 HH11 ARG 36 1HH1 ARG 36 -6.316 7.062 6.428
260 HH12 ARG 36 2HH1 ARG 36 -7.546 7.760 7.374
261 HH21 ARG 36 1HH2 ARG 36 -8.363 10.309 5.063
262 HH22 ARG 36 2HH2 ARG 36 -8.748 9.660 6.587
263 H ASP 37 HN ASP 37 -9.461 7.219 3.832
264 HA ASP 37 HA ASP 37 -11.589 5.374 4.064
265 HB2 ASP 37 2HB ASP 37 -13.006 7.213 4.560
266 HB3 ASP 37 1HB ASP 37 -11.432 7.623 5.225
267 H ASP 38 HN ASP 38 -10.224 6.828 1.460
268 HA ASP 38 HA ASP 38 -12.354 7.047 -0.434
269 HB2 ASP 38 2HB ASP 38 -10.089 8.156 -0.542
270 HB3 ASP 38 1HB ASP 38 -9.407 6.579 -0.897
271 H PHE 39 HN PHE 39 -10.782 4.432 1.030
272 HA PHE 39 HA PHE 39 -10.846 2.215 0.895
273 HB2 PHE 39 2HB PHE 39 -12.652 2.602 -1.507
274 HB3 PHE 39 1HB PHE 39 -12.198 1.028 -0.876
275 HD1 PHE 39 1HD PHE 39 -13.154 0.193 1.173
276 HD2 PHE 39 2HD PHE 39 -14.187 4.048 -0.301
277 HE1 PHE 39 1HE PHE 39 -15.084 0.259 2.694
278 HE2 PHE 39 2HE PHE 39 -16.114 4.120 1.219
279 HZ PHE 39 HZ PHE 39 -16.567 2.229 2.717
280 H ARG 40 HN ARG 40 -9.300 4.144 -0.935
281 HA ARG 40 HA ARG 40 -8.192 2.190 -2.786
282 HB2 ARG 40 2HB ARG 40 -8.601 4.971 -2.892
283 HB3 ARG 40 1HB ARG 40 -6.863 4.718 -2.882
284 HG2 ARG 40 2HG ARG 40 -7.636 4.811 -5.149
285 HG3 ARG 40 1HG ARG 40 -7.116 3.165 -4.783
286 HD2 ARG 40 2HD ARG 40 -9.209 3.178 -6.052
287 HD3 ARG 40 1HD ARG 40 -9.447 2.510 -4.436
288 HE ARG 40 HE ARG 40 -10.009 5.194 -4.209
289 HH11 ARG 40 1HH1 ARG 40 -11.342 2.479 -6.029
290 HH12 ARG 40 2HH1 ARG 40 -12.903 3.150 -6.102
291 HH21 ARG 40 1HH2 ARG 40 -12.051 6.080 -4.306
292 HH22 ARG 40 2HH2 ARG 40 -13.325 5.297 -5.106
293 H CYS 41 HN CYS 41 -6.021 1.754 -2.884
294 HA CYS 41 HA CYS 41 -4.656 1.849 -0.344
295 HB2 CYS 41 2HB CYS 41 -4.502 0.164 -2.759
296 HB3 CYS 41 1HB CYS 41 -3.040 0.340 -1.801
297 H TRP 42 HN TRP 42 -3.323 3.379 0.055
298 HA TRP 42 HA TRP 42 -1.717 4.520 -2.096
299 HB2 TRP 42 2HB TRP 42 -2.808 5.590 0.456
300 HB3 TRP 42 1HB TRP 42 -1.175 6.085 0.057
301 HD1 TRP 42 1HD TRP 42 -0.869 7.692 -2.064
302 HE1 TRP 42 1HE TRP 42 -2.475 9.251 -3.276
303 HE3 TRP 42 3HE TRP 42 -5.284 5.810 -0.306
304 HZ2 TRP 42 2HZ TRP 42 -5.274 9.668 -3.458
305 HZ3 TRP 42 3HZ TRP 42 -7.382 6.864 -1.044
306 HH2 TRP 42 2HH TRP 42 -7.372 8.747 -2.588
307 H CYS 43 HN CYS 43 0.215 3.689 -2.197
308 HA CYS 43 HA CYS 43 1.214 2.373 0.184
309 HB2 CYS 43 2HB CYS 43 1.959 1.942 -2.705
310 HB3 CYS 43 1HB CYS 43 2.637 1.063 -1.329
311 H THR 44 HN THR 44 2.877 3.016 1.170
312 HA THR 44 HA THR 44 4.066 5.522 0.350
313 HB THR 44 HB THR 44 4.354 4.073 2.970
314 HG1 THR 44 1HG THR 44 2.331 6.024 2.557
315 HG21 THR 44 1HG2 THR 44 4.589 6.373 3.829
316 HG22 THR 44 2HG2 THR 44 4.374 7.001 2.195
317 HG23 THR 44 3HG2 THR 44 5.795 6.030 2.588
318 H LYS 45 HN LYS 45 6.155 5.638 -0.159
319 HA LYS 45 HA LYS 45 7.944 3.419 0.460
320 HB2 LYS 45 2HB LYS 45 8.969 3.638 -1.776
321 HB3 LYS 45 1HB LYS 45 7.281 3.153 -1.864
322 HG2 LYS 45 2HG LYS 45 6.658 5.465 -2.412
323 HG3 LYS 45 1HG LYS 45 8.363 5.911 -2.349
324 HD2 LYS 45 2HD LYS 45 7.179 3.876 -4.242
325 HD3 LYS 45 1HD LYS 45 7.531 5.550 -4.661
326 HE2 LYS 45 2HE LYS 45 9.922 5.131 -4.106
327 HE3 LYS 45 1HE LYS 45 9.518 3.440 -3.813
328 HZ1 LYS 45 1HZ LYS 45 9.173 4.874 -6.377
329 HZ2 LYS 45 2HZ LYS 45 8.779 3.271 -6.117
330 HZ3 LYS 45 3HZ LYS 45 10.393 3.760 -6.047
331 H ASN 46 HN ASN 46 10.186 4.114 0.524
332 HA ASN 46 HA ASN 46 10.294 6.842 1.538
333 HB2 ASN 46 2HB ASN 46 12.406 4.674 1.686
334 HB3 ASN 46 1HB ASN 46 12.559 6.270 2.401
335 HD21 ASN 46 1HD2 ASN 46 11.395 3.078 2.807
336 HD22 ASN 46 2HD2 ASN 46 10.701 3.301 4.362
337 H CYS 47 HN CYS 47 11.525 8.455 0.719
338 HA CYS 47 HA CYS 47 13.014 7.941 -1.728
339 HB2 CYS 47 2HB CYS 47 10.978 10.145 -1.322
340 HB3 CYS 47 1HB CYS 47 11.987 9.912 -2.743
Start of MODEL 11
1 H1 LYS 1 1HT LYS 1 13.451 11.319 1.729
2 H2 LYS 1 2HT LYS 1 12.782 10.354 0.495
3 H3 LYS 1 3HT LYS 1 13.149 9.671 1.983
4 HA LYS 1 HA LYS 1 11.437 10.979 3.051
5 HB2 LYS 1 2HB LYS 1 11.588 12.854 1.375
6 HB3 LYS 1 1HB LYS 1 10.856 11.803 0.177
7 HG2 LYS 1 2HG LYS 1 8.841 11.679 1.710
8 HG3 LYS 1 1HG LYS 1 9.586 12.970 2.649
9 HD2 LYS 1 2HD LYS 1 8.831 13.098 -0.278
10 HD3 LYS 1 1HD LYS 1 7.959 13.860 1.047
11 HE2 LYS 1 2HE LYS 1 9.874 15.286 1.514
12 HE3 LYS 1 1HE LYS 1 10.809 14.471 0.261
13 HZ1 LYS 1 1HZ LYS 1 9.189 15.263 -1.371
14 HZ2 LYS 1 2HZ LYS 1 9.954 16.525 -0.592
15 HZ3 LYS 1 3HZ LYS 1 8.376 16.131 -0.180
16 H THR 2 HN THR 2 9.123 10.069 2.880
17 HA THR 2 HA THR 2 9.053 8.024 0.867
18 HB THR 2 HB THR 2 7.322 6.871 2.381
19 HG1 THR 2 1HG THR 2 7.440 8.751 3.942
20 HG21 THR 2 1HG2 THR 2 10.248 6.884 3.090
21 HG22 THR 2 2HG2 THR 2 9.449 5.889 1.867
22 HG23 THR 2 3HG2 THR 2 9.099 5.638 3.573
23 H CYS 3 HN CYS 3 7.608 8.080 -0.535
24 HA CYS 3 HA CYS 3 5.617 10.222 -0.407
25 HB2 CYS 3 2HB CYS 3 6.976 8.912 -2.783
26 HB3 CYS 3 1HB CYS 3 5.722 10.137 -2.905
27 H GLU 4 HN GLU 4 3.561 9.583 -0.346
28 HA GLU 4 HA GLU 4 2.993 6.747 -0.710
29 HB2 GLU 4 2HB GLU 4 2.392 7.893 1.422
30 HB3 GLU 4 1HB GLU 4 1.313 8.930 0.496
31 HG2 GLU 4 2HG GLU 4 0.020 7.059 -0.170
32 HG3 GLU 4 1HG GLU 4 1.086 5.948 0.695
33 H ASN 5 HN ASN 5 2.086 6.074 -2.487
34 HA ASN 5 HA ASN 5 0.398 7.912 -4.022
35 HB2 ASN 5 2HB ASN 5 2.624 6.215 -5.168
36 HB3 ASN 5 1HB ASN 5 1.390 6.999 -6.131
37 HD21 ASN 5 1HD2 ASN 5 1.452 9.459 -4.432
38 HD22 ASN 5 2HD2 ASN 5 2.893 10.260 -4.908
39 H LEU 6 HN LEU 6 -0.884 6.720 -5.632
40 HA LEU 6 HA LEU 6 -2.249 4.637 -4.416
41 HB2 LEU 6 2HB LEU 6 -2.365 5.860 -7.107
42 HB3 LEU 6 1HB LEU 6 -3.236 4.369 -6.810
43 HG LEU 6 HG LEU 6 -3.614 6.902 -5.202
44 HD11 LEU 6 1HD1 LEU 6 -4.416 7.138 -7.533
45 HD12 LEU 6 2HD1 LEU 6 -5.706 7.062 -6.311
46 HD13 LEU 6 3HD1 LEU 6 -5.354 5.643 -7.294
47 HD21 LEU 6 1HD2 LEU 6 -4.120 4.906 -3.952
48 HD22 LEU 6 2HD2 LEU 6 -5.068 4.291 -5.300
49 HD23 LEU 6 3HD2 LEU 6 -5.606 5.724 -4.428
50 H ALA 7 HN ALA 7 -2.414 2.591 -4.631
51 HA ALA 7 HA ALA 7 -0.190 1.105 -5.644
52 HB1 ALA 7 1HB ALA 7 -1.434 -0.826 -4.759
53 HB2 ALA 7 2HB ALA 7 -2.802 0.232 -4.420
54 HB3 ALA 7 3HB ALA 7 -1.277 0.464 -3.567
55 H ASP 8 HN ASP 8 -0.058 0.419 -7.641
56 HA ASP 8 HA ASP 8 -2.443 0.339 -9.324
57 HB2 ASP 8 2HB ASP 8 -0.539 1.540 -10.239
58 HB3 ASP 8 1HB ASP 8 0.491 0.134 -10.010
59 H THR 9 HN THR 9 0.152 -1.717 -8.096
60 HA THR 9 HA THR 9 -0.598 -3.974 -9.575
61 HB THR 9 HB THR 9 1.061 -3.881 -7.066
62 HG1 THR 9 1HG THR 9 2.710 -3.132 -8.270
63 HG21 THR 9 1HG2 THR 9 2.292 -5.652 -8.203
64 HG22 THR 9 2HG2 THR 9 1.235 -5.479 -9.609
65 HG23 THR 9 3HG2 THR 9 0.579 -6.075 -8.078
66 H TYR 10 HN TYR 10 -1.471 -2.691 -6.397
67 HA TYR 10 HA TYR 10 -2.624 -5.126 -5.435
68 HB2 TYR 10 2HB TYR 10 -1.856 -3.292 -3.906
69 HB3 TYR 10 1HB TYR 10 -3.176 -2.293 -4.497
70 HD1 TYR 10 1HD TYR 10 -2.303 -5.230 -2.479
71 HD2 TYR 10 2HD TYR 10 -5.472 -2.687 -3.740
72 HE1 TYR 10 1HE TYR 10 -3.751 -6.193 -0.759
73 HE2 TYR 10 2HE TYR 10 -6.924 -3.633 -2.025
74 HH TYR 10 HH TYR 10 -7.057 -5.806 -0.769
75 H LYS 11 HN LYS 11 -4.581 -5.927 -5.852
76 HA LYS 11 HA LYS 11 -6.357 -4.248 -7.459
77 HB2 LYS 11 2HB LYS 11 -6.252 -7.260 -7.332
78 HB3 LYS 11 1HB LYS 11 -7.239 -6.293 -8.418
79 HG2 LYS 11 2HG LYS 11 -4.228 -6.456 -8.413
80 HG3 LYS 11 1HG LYS 11 -5.314 -7.189 -9.593
81 HD2 LYS 11 2HD LYS 11 -6.057 -4.987 -10.304
82 HD3 LYS 11 1HD LYS 11 -5.052 -4.228 -9.065
83 HE2 LYS 11 2HE LYS 11 -3.064 -5.131 -10.135
84 HE3 LYS 11 1HE LYS 11 -4.074 -5.893 -11.363
85 HZ1 LYS 11 1HZ LYS 11 -4.828 -3.671 -12.024
86 HZ2 LYS 11 2HZ LYS 11 -3.151 -3.791 -12.162
87 HZ3 LYS 11 3HZ LYS 11 -3.835 -2.974 -10.861
88 H GLY 12 HN GLY 12 -8.518 -4.186 -7.020
89 HA2 GLY 12 2HA GLY 12 -10.456 -4.538 -5.836
90 HA3 GLY 12 1HA GLY 12 -9.581 -5.590 -4.733
91 HA PRO 13 HA PRO 13 -9.972 -1.243 -2.856
92 HB2 PRO 13 2HB PRO 13 -12.269 -2.206 -1.311
93 HB3 PRO 13 1HB PRO 13 -12.128 -0.747 -2.285
94 HG2 PRO 13 2HG PRO 13 -13.683 -2.819 -3.046
95 HG3 PRO 13 1HG PRO 13 -12.841 -1.785 -4.215
96 HD2 PRO 13 2HD PRO 13 -12.102 -4.501 -3.197
97 HD3 PRO 13 1HD PRO 13 -12.054 -3.858 -4.855
98 H CYS 14 HN CYS 14 -9.676 -0.851 -0.551
99 HA CYS 14 HA CYS 14 -8.350 -3.090 0.692
100 HB2 CYS 14 2HB CYS 14 -7.147 -1.003 0.710
101 HB3 CYS 14 1HB CYS 14 -8.520 -0.166 1.427
102 H PHE 15 HN PHE 15 -9.814 -4.424 1.520
103 HA PHE 15 HA PHE 15 -11.958 -3.438 3.219
104 HB2 PHE 15 2HB PHE 15 -11.128 -6.287 2.581
105 HB3 PHE 15 1HB PHE 15 -12.604 -5.803 3.405
106 HD1 PHE 15 1HD PHE 15 -11.091 -6.534 0.282
107 HD2 PHE 15 2HD PHE 15 -14.223 -4.306 2.095
108 HE1 PHE 15 1HE PHE 15 -12.221 -6.376 -1.878
109 HE2 PHE 15 2HE PHE 15 -15.362 -4.143 -0.062
110 HZ PHE 15 HZ PHE 15 -14.367 -5.179 -2.063
111 H THR 16 HN THR 16 -8.877 -4.952 3.292
112 HA THR 16 HA THR 16 -8.733 -4.764 6.204
113 HB THR 16 HB THR 16 -7.575 -6.933 4.442
114 HG1 THR 16 1HG THR 16 -9.970 -6.769 5.930
115 HG21 THR 16 1HG2 THR 16 -6.335 -6.549 6.526
116 HG22 THR 16 2HG2 THR 16 -7.153 -8.111 6.548
117 HG23 THR 16 3HG2 THR 16 -7.828 -6.755 7.449
118 H THR 17 HN THR 17 -7.088 -3.334 6.619
119 HA THR 17 HA THR 17 -5.433 -2.438 4.518
120 HB THR 17 HB THR 17 -6.103 -0.876 6.340
121 HG1 THR 17 1HG THR 17 -3.830 -0.951 5.160
122 HG21 THR 17 1HG2 THR 17 -5.953 -2.322 8.277
123 HG22 THR 17 2HG2 THR 17 -4.879 -0.941 8.500
124 HG23 THR 17 3HG2 THR 17 -4.217 -2.510 8.040
125 H GLY 18 HN GLY 18 -5.115 -4.879 6.904
126 HA2 GLY 18 2HA GLY 18 -2.360 -5.295 6.910
127 HA3 GLY 18 1HA GLY 18 -3.563 -6.559 7.137
128 H SER 19 HN SER 19 -4.828 -6.622 4.677
129 HA SER 19 HA SER 19 -3.130 -8.162 3.093
130 HB2 SER 19 2HB SER 19 -5.635 -6.709 2.237
131 HB3 SER 19 1HB SER 19 -4.984 -8.207 1.569
132 HG SER 19 HG SER 19 -6.388 -8.998 2.921
133 H CYS 20 HN CYS 20 -3.989 -4.787 3.046
134 HA CYS 20 HA CYS 20 -2.908 -4.160 0.484
135 HB2 CYS 20 2HB CYS 20 -4.746 -2.896 1.539
136 HB3 CYS 20 1HB CYS 20 -3.651 -2.388 2.816
137 H ASP 21 HN ASP 21 -1.867 -3.636 3.838
138 HA ASP 21 HA ASP 21 0.560 -2.344 3.253
139 HB2 ASP 21 2HB ASP 21 -0.519 -2.148 5.403
140 HB3 ASP 21 1HB ASP 21 -0.347 -3.868 5.697
141 H ASP 22 HN ASP 22 -0.263 -5.691 3.813
142 HA ASP 22 HA ASP 22 2.280 -6.847 3.777
143 HB2 ASP 22 2HB ASP 22 0.315 -8.133 4.374
144 HB3 ASP 22 1HB ASP 22 -0.354 -7.877 2.769
145 H HIS 23 HN HIS 23 0.095 -6.026 1.154
146 HA HIS 23 HA HIS 23 1.665 -7.118 -0.914
147 HB2 HIS 23 2HB HIS 23 -0.710 -6.696 -1.270
148 HB3 HIS 23 1HB HIS 23 -0.472 -4.978 -0.990
149 HD1 HIS 23 1HD HIS 23 0.049 -7.638 -3.620
150 HD2 HIS 23 2HD HIS 23 0.519 -3.548 -3.105
151 HE1 HIS 23 1HE HIS 23 0.545 -6.715 -5.894
152 H CYS 24 HN CYS 24 1.237 -3.744 0.166
153 HA CYS 24 HA CYS 24 3.099 -2.711 -1.632
154 HB2 CYS 24 2HB CYS 24 2.376 -1.533 1.063
155 HB3 CYS 24 1HB CYS 24 3.112 -0.671 -0.280
156 H LYS 25 HN LYS 25 3.610 -3.987 1.667
157 HA LYS 25 HA LYS 25 6.362 -3.253 1.758
158 HB2 LYS 25 2HB LYS 25 4.847 -5.337 3.302
159 HB3 LYS 25 1HB LYS 25 6.552 -5.018 3.535
160 HG2 LYS 25 2HG LYS 25 5.934 -2.691 4.168
161 HG3 LYS 25 1HG LYS 25 4.237 -3.198 4.101
162 HD2 LYS 25 2HD LYS 25 4.720 -4.991 5.710
163 HD3 LYS 25 1HD LYS 25 6.389 -4.448 5.805
164 HE2 LYS 25 2HE LYS 25 3.969 -2.840 6.563
165 HE3 LYS 25 1HE LYS 25 5.027 -3.678 7.689
166 HZ1 LYS 25 1HZ LYS 25 5.515 -1.335 7.546
167 HZ2 LYS 25 2HZ LYS 25 5.860 -1.435 5.906
168 HZ3 LYS 25 3HZ LYS 25 6.834 -2.234 7.042
169 H ASN 26 HN ASN 26 4.839 -6.449 1.218
170 HA ASN 26 HA ASN 26 7.477 -7.567 0.814
171 HB2 ASN 26 2HB ASN 26 4.786 -8.935 0.701
172 HB3 ASN 26 1HB ASN 26 6.341 -9.749 0.605
173 HD21 ASN 26 1HD2 ASN 26 4.006 -8.272 2.653
174 HD22 ASN 26 2HD2 ASN 26 4.761 -8.661 4.149
175 H LYS 27 HN LYS 27 4.625 -7.038 -1.166
176 HA LYS 27 HA LYS 27 5.770 -8.453 -3.366
177 HB2 LYS 27 2HB LYS 27 3.345 -6.676 -3.199
178 HB3 LYS 27 1HB LYS 27 3.798 -7.615 -4.609
179 HG2 LYS 27 2HG LYS 27 3.141 -8.761 -1.905
180 HG3 LYS 27 1HG LYS 27 2.031 -8.672 -3.274
181 HD2 LYS 27 2HD LYS 27 3.567 -10.059 -4.587
182 HD3 LYS 27 1HD LYS 27 4.652 -10.167 -3.202
183 HE2 LYS 27 2HE LYS 27 2.913 -11.270 -1.919
184 HE3 LYS 27 1HE LYS 27 1.807 -11.152 -3.290
185 HZ1 LYS 27 1HZ LYS 27 3.376 -12.502 -4.564
186 HZ2 LYS 27 2HZ LYS 27 2.774 -13.314 -3.219
187 HZ3 LYS 27 3HZ LYS 27 4.339 -12.690 -3.188
188 H GLU 28 HN GLU 28 5.099 -5.073 -2.667
189 HA GLU 28 HA GLU 28 6.495 -4.369 -5.114
190 HB2 GLU 28 2HB GLU 28 4.923 -2.634 -3.228
191 HB3 GLU 28 1HB GLU 28 5.568 -2.137 -4.789
192 HG2 GLU 28 2HG GLU 28 3.471 -4.252 -4.317
193 HG3 GLU 28 1HG GLU 28 3.194 -2.621 -4.922
194 H HIS 29 HN HIS 29 7.313 -4.769 -1.925
195 HA HIS 29 HA HIS 29 9.100 -4.315 -0.663
196 HB2 HIS 29 2HB HIS 29 10.327 -3.475 -3.297
197 HB3 HIS 29 1HB HIS 29 11.236 -3.554 -1.793
198 HD1 HIS 29 1HD HIS 29 11.940 -5.905 -0.965
199 HD2 HIS 29 2HD HIS 29 9.561 -5.932 -4.379
200 HE1 HIS 29 1HE HIS 29 12.049 -8.249 -1.872
201 H LEU 30 HN LEU 30 7.097 -2.349 -0.906
202 HA LEU 30 HA LEU 30 8.535 0.181 -0.732
203 HB2 LEU 30 2HB LEU 30 5.557 -0.318 -0.627
204 HB3 LEU 30 1HB LEU 30 6.356 1.220 -0.883
205 HG LEU 30 HG LEU 30 6.301 -1.111 -2.790
206 HD11 LEU 30 1HD1 LEU 30 4.211 -0.027 -2.776
207 HD12 LEU 30 2HD1 LEU 30 5.052 0.421 -4.261
208 HD13 LEU 30 3HD1 LEU 30 4.947 1.562 -2.922
209 HD21 LEU 30 1HD2 LEU 30 8.430 -0.006 -3.007
210 HD22 LEU 30 2HD2 LEU 30 7.653 1.567 -3.113
211 HD23 LEU 30 3HD2 LEU 30 7.428 0.386 -4.403
212 H ARG 31 HN ARG 31 7.056 1.580 1.111
213 HA ARG 31 HA ARG 31 8.131 0.405 3.497
214 HB2 ARG 31 2HB ARG 31 8.513 2.754 3.165
215 HB3 ARG 31 1HB ARG 31 6.793 3.061 2.998
216 HG2 ARG 31 2HG ARG 31 6.448 2.441 5.333
217 HG3 ARG 31 1HG ARG 31 8.171 2.117 5.503
218 HD2 ARG 31 2HD ARG 31 8.691 4.414 5.061
219 HD3 ARG 31 1HD ARG 31 6.988 4.790 4.758
220 HE ARG 31 HE ARG 31 7.178 3.659 7.262
221 HH11 ARG 31 1HH1 ARG 31 8.246 6.692 5.675
222 HH12 ARG 31 2HH1 ARG 31 8.335 7.521 7.145
223 HH21 ARG 31 1HH2 ARG 31 7.279 4.876 9.217
224 HH22 ARG 31 2HH2 ARG 31 7.750 6.514 9.165
225 H SER 32 HN SER 32 4.861 1.622 2.646
226 HA SER 32 HA SER 32 3.762 -0.463 4.313
227 HB2 SER 32 2HB SER 32 2.417 1.221 5.639
228 HB3 SER 32 1HB SER 32 4.143 1.191 5.996
229 HG SER 32 HG SER 32 2.996 3.068 4.163
230 H GLY 33 HN GLY 33 1.475 -0.646 4.085
231 HA2 GLY 33 2HA GLY 33 0.463 0.727 1.682
232 HA3 GLY 33 1HA GLY 33 -0.056 -0.891 2.118
233 H ARG 34 HN ARG 34 -0.744 2.350 2.323
234 HA ARG 34 HA ARG 34 -2.267 1.938 4.764
235 HB2 ARG 34 2HB ARG 34 -1.216 4.527 3.603
236 HB3 ARG 34 1HB ARG 34 -2.121 4.365 5.105
237 HG2 ARG 34 2HG ARG 34 -0.306 2.987 6.046
238 HG3 ARG 34 1HG ARG 34 0.602 3.176 4.548
239 HD2 ARG 34 2HD ARG 34 0.614 5.619 4.921
240 HD3 ARG 34 1HD ARG 34 -0.219 5.357 6.450
241 HE ARG 34 HE ARG 34 2.342 4.019 6.035
242 HH11 ARG 34 1HH1 ARG 34 0.523 6.596 7.665
243 HH12 ARG 34 2HH1 ARG 34 1.725 6.946 8.798
244 HH21 ARG 34 1HH2 ARG 34 4.054 4.532 7.617
245 HH22 ARG 34 2HH2 ARG 34 3.776 5.766 8.759
246 H CYS 35 HN CYS 35 -4.358 2.212 4.728
247 HA CYS 35 HA CYS 35 -5.571 2.614 2.112
248 HB2 CYS 35 2HB CYS 35 -6.751 1.507 4.669
249 HB3 CYS 35 1HB CYS 35 -7.501 1.490 3.071
250 H ARG 36 HN ARG 36 -6.824 4.254 1.690
251 HA ARG 36 HA ARG 36 -7.072 6.248 3.816
252 HB2 ARG 36 2HB ARG 36 -6.919 6.602 0.834
253 HB3 ARG 36 1HB ARG 36 -7.143 7.925 1.983
254 HG2 ARG 36 2HG ARG 36 -4.750 6.089 1.834
255 HG3 ARG 36 1HG ARG 36 -4.817 7.741 1.219
256 HD2 ARG 36 2HD ARG 36 -5.133 8.603 3.432
257 HD3 ARG 36 1HD ARG 36 -5.281 6.983 4.103
258 HE ARG 36 HE ARG 36 -2.778 7.404 2.777
259 HH11 ARG 36 1HH1 ARG 36 -4.483 8.156 5.803
260 HH12 ARG 36 2HH1 ARG 36 -3.056 8.033 6.739
261 HH21 ARG 36 1HH2 ARG 36 -0.899 7.283 4.083
262 HH22 ARG 36 2HH2 ARG 36 -1.026 7.592 5.767
263 H ASP 37 HN ASP 37 -8.874 7.913 3.019
264 HA ASP 37 HA ASP 37 -11.260 6.853 3.871
265 HB2 ASP 37 2HB ASP 37 -10.791 9.194 4.029
266 HB3 ASP 37 1HB ASP 37 -10.727 9.349 2.278
267 H ASP 38 HN ASP 38 -10.188 7.292 0.557
268 HA ASP 38 HA ASP 38 -12.755 6.580 -0.536
269 HB2 ASP 38 2HB ASP 38 -11.188 8.153 -1.674
270 HB3 ASP 38 1HB ASP 38 -10.090 6.814 -1.961
271 H PHE 39 HN PHE 39 -10.749 4.728 1.066
272 HA PHE 39 HA PHE 39 -10.438 2.546 1.385
273 HB2 PHE 39 2HB PHE 39 -12.764 2.280 -0.511
274 HB3 PHE 39 1HB PHE 39 -12.021 0.899 0.289
275 HD1 PHE 39 1HD PHE 39 -12.049 0.764 2.752
276 HD2 PHE 39 2HD PHE 39 -14.269 3.694 0.633
277 HE1 PHE 39 1HE PHE 39 -13.428 1.153 4.750
278 HE2 PHE 39 2HE PHE 39 -15.653 4.090 2.615
279 HZ PHE 39 HZ PHE 39 -15.241 2.821 4.684
280 H ARG 40 HN ARG 40 -9.415 3.922 -1.188
281 HA ARG 40 HA ARG 40 -8.493 1.535 -2.531
282 HB2 ARG 40 2HB ARG 40 -9.224 3.539 -3.839
283 HB3 ARG 40 1HB ARG 40 -7.892 4.446 -3.141
284 HG2 ARG 40 2HG ARG 40 -7.328 3.756 -5.370
285 HG3 ARG 40 1HG ARG 40 -6.319 2.899 -4.208
286 HD2 ARG 40 2HD ARG 40 -7.882 0.957 -4.400
287 HD3 ARG 40 1HD ARG 40 -8.705 1.828 -5.700
288 HE ARG 40 HE ARG 40 -6.109 1.869 -6.410
289 HH11 ARG 40 1HH1 ARG 40 -8.457 -0.703 -5.797
290 HH12 ARG 40 2HH1 ARG 40 -7.612 -1.864 -6.702
291 HH21 ARG 40 1HH2 ARG 40 -4.937 0.256 -7.586
292 HH22 ARG 40 2HH2 ARG 40 -5.541 -1.329 -7.715
293 H CYS 41 HN CYS 41 -6.093 1.326 -2.911
294 HA CYS 41 HA CYS 41 -4.795 1.698 -0.367
295 HB2 CYS 41 2HB CYS 41 -4.368 -0.136 -2.658
296 HB3 CYS 41 1HB CYS 41 -3.047 0.182 -1.539
297 H TRP 42 HN TRP 42 -3.262 2.993 0.030
298 HA TRP 42 HA TRP 42 -1.818 4.241 -2.163
299 HB2 TRP 42 2HB TRP 42 -3.033 5.240 0.321
300 HB3 TRP 42 1HB TRP 42 -1.411 5.819 0.025
301 HD1 TRP 42 1HD TRP 42 -1.092 7.571 -1.938
302 HE1 TRP 42 1HE TRP 42 -2.737 9.048 -3.238
303 HE3 TRP 42 3HE TRP 42 -5.464 5.184 -0.767
304 HZ2 TRP 42 2HZ TRP 42 -5.517 9.196 -3.708
305 HZ3 TRP 42 3HZ TRP 42 -7.570 6.074 -1.681
306 HH2 TRP 42 2HH TRP 42 -7.587 8.033 -3.124
307 H CYS 43 HN CYS 43 0.095 3.266 -2.282
308 HA CYS 43 HA CYS 43 1.228 2.012 0.077
309 HB2 CYS 43 2HB CYS 43 2.261 2.079 -2.766
310 HB3 CYS 43 1HB CYS 43 2.971 1.174 -1.446
311 H THR 44 HN THR 44 2.610 3.040 1.278
312 HA THR 44 HA THR 44 3.722 5.591 0.578
313 HB THR 44 HB THR 44 4.505 3.880 2.923
314 HG1 THR 44 1HG THR 44 2.047 5.397 2.792
315 HG21 THR 44 1HG2 THR 44 3.936 6.841 2.612
316 HG22 THR 44 2HG2 THR 44 5.533 6.096 2.628
317 HG23 THR 44 3HG2 THR 44 4.528 6.051 4.076
318 H LYS 45 HN LYS 45 5.476 5.542 -0.837
319 HA LYS 45 HA LYS 45 7.322 3.301 -0.517
320 HB2 LYS 45 2HB LYS 45 7.866 3.568 -2.937
321 HB3 LYS 45 1HB LYS 45 6.248 2.981 -2.585
322 HG2 LYS 45 2HG LYS 45 5.420 5.292 -2.998
323 HG3 LYS 45 1HG LYS 45 7.053 5.719 -3.518
324 HD2 LYS 45 2HD LYS 45 6.959 3.957 -5.231
325 HD3 LYS 45 1HD LYS 45 5.328 3.551 -4.713
326 HE2 LYS 45 2HE LYS 45 5.200 4.925 -6.683
327 HE3 LYS 45 1HE LYS 45 4.612 5.839 -5.297
328 HZ1 LYS 45 1HZ LYS 45 7.277 6.076 -6.555
329 HZ2 LYS 45 2HZ LYS 45 6.817 6.921 -5.188
330 HZ3 LYS 45 3HZ LYS 45 6.017 7.193 -6.664
331 H ASN 46 HN ASN 46 9.548 3.785 -1.465
332 HA ASN 46 HA ASN 46 10.417 6.074 0.061
333 HB2 ASN 46 2HB ASN 46 12.037 3.946 -1.358
334 HB3 ASN 46 1HB ASN 46 12.715 5.244 -0.391
335 HD21 ASN 46 1HD2 ASN 46 11.068 2.214 -0.357
336 HD22 ASN 46 2HD2 ASN 46 11.206 1.898 1.328
337 H CYS 47 HN CYS 47 11.124 7.908 -0.665
338 HA CYS 47 HA CYS 47 11.916 8.119 -3.416
339 HB2 CYS 47 2HB CYS 47 10.900 10.503 -3.320
340 HB3 CYS 47 1HB CYS 47 9.783 9.173 -3.557
Start of MODEL 12
1 H1 LYS 1 1HT LYS 1 13.640 11.384 1.025
2 H2 LYS 1 2HT LYS 1 12.897 10.508 -0.229
3 H3 LYS 1 3HT LYS 1 13.196 9.767 1.243
4 HA LYS 1 HA LYS 1 11.609 11.231 2.331
5 HB2 LYS 1 2HB LYS 1 11.891 13.172 0.848
6 HB3 LYS 1 1HB LYS 1 11.281 12.258 -0.515
7 HG2 LYS 1 2HG LYS 1 9.618 13.851 0.297
8 HG3 LYS 1 1HG LYS 1 9.056 12.195 0.524
9 HD2 LYS 1 2HD LYS 1 9.701 12.285 2.857
10 HD3 LYS 1 1HD LYS 1 10.292 13.940 2.663
11 HE2 LYS 1 2HE LYS 1 8.027 14.675 2.122
12 HE3 LYS 1 1HE LYS 1 7.445 13.015 2.240
13 HZ1 LYS 1 1HZ LYS 1 6.965 14.224 4.256
14 HZ2 LYS 1 2HZ LYS 1 8.584 14.626 4.468
15 HZ3 LYS 1 3HZ LYS 1 8.092 13.025 4.594
16 H THR 2 HN THR 2 9.587 10.174 2.626
17 HA THR 2 HA THR 2 9.122 8.197 0.594
18 HB THR 2 HB THR 2 7.468 7.309 2.413
19 HG1 THR 2 1HG THR 2 7.609 8.996 3.847
20 HG21 THR 2 1HG2 THR 2 9.437 6.103 1.702
21 HG22 THR 2 2HG2 THR 2 9.319 6.053 3.465
22 HG23 THR 2 3HG2 THR 2 10.462 7.143 2.689
23 H CYS 3 HN CYS 3 7.293 8.041 -0.503
24 HA CYS 3 HA CYS 3 5.540 10.409 -0.367
25 HB2 CYS 3 2HB CYS 3 6.194 8.717 -2.782
26 HB3 CYS 3 1HB CYS 3 5.326 10.249 -2.758
27 H GLU 4 HN GLU 4 3.368 10.002 -0.278
28 HA GLU 4 HA GLU 4 2.542 7.219 -0.140
29 HB2 GLU 4 2HB GLU 4 1.906 8.798 1.674
30 HB3 GLU 4 1HB GLU 4 1.056 9.774 0.483
31 HG2 GLU 4 2HG GLU 4 -0.457 7.971 0.041
32 HG3 GLU 4 1HG GLU 4 0.388 6.935 1.196
33 H ASN 5 HN ASN 5 1.968 6.384 -2.074
34 HA ASN 5 HA ASN 5 0.251 8.005 -3.782
35 HB2 ASN 5 2HB ASN 5 2.753 6.608 -4.738
36 HB3 ASN 5 1HB ASN 5 1.463 7.109 -5.819
37 HD21 ASN 5 1HD2 ASN 5 1.099 9.341 -6.120
38 HD22 ASN 5 2HD2 ASN 5 2.348 10.482 -5.817
39 H LEU 6 HN LEU 6 -0.770 6.725 -5.448
40 HA LEU 6 HA LEU 6 -2.031 4.545 -4.266
41 HB2 LEU 6 2HB LEU 6 -2.133 5.616 -7.056
42 HB3 LEU 6 1HB LEU 6 -3.060 4.217 -6.555
43 HG LEU 6 HG LEU 6 -3.295 6.977 -5.356
44 HD11 LEU 6 1HD1 LEU 6 -4.252 6.844 -7.614
45 HD12 LEU 6 2HD1 LEU 6 -5.495 6.949 -6.345
46 HD13 LEU 6 3HD1 LEU 6 -5.153 5.401 -7.108
47 HD21 LEU 6 1HD2 LEU 6 -4.723 4.405 -4.849
48 HD22 LEU 6 2HD2 LEU 6 -5.266 5.982 -4.287
49 HD23 LEU 6 3HD2 LEU 6 -3.745 5.326 -3.702
50 H ALA 7 HN ALA 7 -1.885 2.507 -4.396
51 HA ALA 7 HA ALA 7 0.365 1.222 -5.642
52 HB1 ALA 7 1HB ALA 7 -0.627 -0.817 -4.663
53 HB2 ALA 7 2HB ALA 7 -2.050 0.127 -4.207
54 HB3 ALA 7 3HB ALA 7 -0.492 0.484 -3.471
55 H ASP 8 HN ASP 8 0.322 0.303 -7.635
56 HA ASP 8 HA ASP 8 -2.147 0.595 -9.131
57 HB2 ASP 8 2HB ASP 8 -0.129 1.485 -10.161
58 HB3 ASP 8 1HB ASP 8 0.627 -0.100 -10.091
59 H THR 9 HN THR 9 0.109 -1.993 -8.178
60 HA THR 9 HA THR 9 -1.180 -3.993 -9.645
61 HB THR 9 HB THR 9 0.428 -4.309 -7.109
62 HG1 THR 9 1HG THR 9 2.174 -3.972 -8.260
63 HG21 THR 9 1HG2 THR 9 -0.634 -6.323 -8.027
64 HG22 THR 9 2HG2 THR 9 1.130 -6.384 -8.179
65 HG23 THR 9 3HG2 THR 9 0.128 -5.994 -9.586
66 H TYR 10 HN TYR 10 -1.707 -2.629 -6.471
67 HA TYR 10 HA TYR 10 -3.587 -4.652 -5.665
68 HB2 TYR 10 2HB TYR 10 -2.154 -3.321 -4.048
69 HB3 TYR 10 1HB TYR 10 -3.125 -1.915 -4.445
70 HD1 TYR 10 1HD TYR 10 -5.644 -2.013 -3.886
71 HD2 TYR 10 2HD TYR 10 -2.818 -4.808 -2.383
72 HE1 TYR 10 1HE TYR 10 -7.196 -2.596 -2.085
73 HE2 TYR 10 2HE TYR 10 -4.353 -5.409 -0.585
74 HH TYR 10 HH TYR 10 -6.274 -4.308 0.639
75 H LYS 11 HN LYS 11 -5.031 -4.596 -7.341
76 HA LYS 11 HA LYS 11 -6.549 -2.143 -7.701
77 HB2 LYS 11 2HB LYS 11 -6.248 -4.596 -9.395
78 HB3 LYS 11 1HB LYS 11 -7.487 -3.389 -9.714
79 HG2 LYS 11 2HG LYS 11 -5.839 -1.688 -10.086
80 HG3 LYS 11 1HG LYS 11 -4.554 -2.755 -9.544
81 HD2 LYS 11 2HD LYS 11 -6.267 -3.316 -11.956
82 HD3 LYS 11 1HD LYS 11 -4.725 -2.461 -12.031
83 HE2 LYS 11 2HE LYS 11 -3.619 -4.403 -11.016
84 HE3 LYS 11 1HE LYS 11 -5.155 -5.253 -10.977
85 HZ1 LYS 11 1HZ LYS 11 -5.237 -5.149 -13.379
86 HZ2 LYS 11 2HZ LYS 11 -3.823 -5.911 -12.880
87 HZ3 LYS 11 3HZ LYS 11 -3.775 -4.317 -13.430
88 H GLY 12 HN GLY 12 -7.884 -2.106 -6.045
89 HA2 GLY 12 2HA GLY 12 -10.345 -3.128 -6.188
90 HA3 GLY 12 1HA GLY 12 -9.458 -4.348 -5.272
91 HA PRO 13 HA PRO 13 -10.393 -0.857 -2.436
92 HB2 PRO 13 2HB PRO 13 -12.487 -1.824 -1.053
93 HB3 PRO 13 1HB PRO 13 -12.684 -0.912 -2.548
94 HG2 PRO 13 2HG PRO 13 -12.995 -3.807 -2.055
95 HG3 PRO 13 1HG PRO 13 -13.749 -2.786 -3.286
96 HD2 PRO 13 2HD PRO 13 -11.526 -4.522 -3.618
97 HD3 PRO 13 1HD PRO 13 -12.161 -3.368 -4.802
98 H CYS 14 HN CYS 14 -9.607 -0.793 -0.443
99 HA CYS 14 HA CYS 14 -8.288 -3.068 0.646
100 HB2 CYS 14 2HB CYS 14 -7.274 -0.898 0.926
101 HB3 CYS 14 1HB CYS 14 -8.725 -0.263 1.689
102 H PHE 15 HN PHE 15 -9.490 -4.646 1.526
103 HA PHE 15 HA PHE 15 -11.876 -4.013 3.047
104 HB2 PHE 15 2HB PHE 15 -10.545 -6.709 2.643
105 HB3 PHE 15 1HB PHE 15 -12.165 -6.419 3.251
106 HD1 PHE 15 1HD PHE 15 -13.651 -4.948 1.574
107 HD2 PHE 15 2HD PHE 15 -10.353 -7.392 0.471
108 HE1 PHE 15 1HE PHE 15 -14.532 -5.115 -0.711
109 HE2 PHE 15 2HE PHE 15 -11.227 -7.563 -1.808
110 HZ PHE 15 HZ PHE 15 -13.318 -6.428 -2.407
111 H THR 16 HN THR 16 -8.707 -5.435 3.467
112 HA THR 16 HA THR 16 -8.796 -4.766 6.310
113 HB THR 16 HB THR 16 -7.406 -7.141 5.014
114 HG1 THR 16 1HG THR 16 -9.214 -8.149 5.287
115 HG21 THR 16 1HG2 THR 16 -7.787 -6.399 7.928
116 HG22 THR 16 2HG2 THR 16 -6.267 -6.327 7.035
117 HG23 THR 16 3HG2 THR 16 -7.037 -7.883 7.343
118 H THR 17 HN THR 17 -7.152 -3.406 6.872
119 HA THR 17 HA THR 17 -5.498 -2.317 4.889
120 HB THR 17 HB THR 17 -5.305 -2.072 7.898
121 HG1 THR 17 1HG THR 17 -6.962 -1.068 5.937
122 HG21 THR 17 1HG2 THR 17 -3.263 -1.291 6.707
123 HG22 THR 17 2HG2 THR 17 -4.143 0.050 7.435
124 HG23 THR 17 3HG2 THR 17 -4.266 -0.247 5.700
125 H GLY 18 HN GLY 18 -4.999 -4.829 7.274
126 HA2 GLY 18 2HA GLY 18 -2.246 -5.093 7.214
127 HA3 GLY 18 1HA GLY 18 -3.384 -6.406 7.488
128 H SER 19 HN SER 19 -4.669 -6.492 5.012
129 HA SER 19 HA SER 19 -2.926 -8.044 3.477
130 HB2 SER 19 2HB SER 19 -5.497 -6.743 2.593
131 HB3 SER 19 1HB SER 19 -4.803 -8.265 2.022
132 HG SER 19 HG SER 19 -5.864 -9.179 3.547
133 H CYS 20 HN CYS 20 -3.944 -4.699 3.306
134 HA CYS 20 HA CYS 20 -2.896 -4.073 0.727
135 HB2 CYS 20 2HB CYS 20 -4.655 -2.738 1.754
136 HB3 CYS 20 1HB CYS 20 -3.605 -2.346 3.106
137 H ASP 21 HN ASP 21 -1.836 -3.489 4.036
138 HA ASP 21 HA ASP 21 0.648 -2.343 3.618
139 HB2 ASP 21 2HB ASP 21 -0.466 -2.446 5.795
140 HB3 ASP 21 1HB ASP 21 -0.316 -4.195 5.812
141 H ASP 22 HN ASP 22 -0.278 -5.702 3.983
142 HA ASP 22 HA ASP 22 2.202 -6.966 3.752
143 HB2 ASP 22 2HB ASP 22 0.139 -8.081 4.510
144 HB3 ASP 22 1HB ASP 22 -0.531 -7.926 2.896
145 H HIS 23 HN HIS 23 -0.216 -6.195 1.260
146 HA HIS 23 HA HIS 23 1.105 -7.377 -0.903
147 HB2 HIS 23 2HB HIS 23 -1.269 -6.759 -0.977
148 HB3 HIS 23 1HB HIS 23 -0.839 -5.058 -0.879
149 HD1 HIS 23 1HD HIS 23 -0.937 -7.944 -3.292
150 HD2 HIS 23 2HD HIS 23 0.045 -3.908 -3.246
151 HE1 HIS 23 1HE HIS 23 -0.801 -7.223 -5.704
152 H CYS 24 HN CYS 24 1.044 -3.948 0.065
153 HA CYS 24 HA CYS 24 2.837 -3.268 -1.970
154 HB2 CYS 24 2HB CYS 24 1.938 -1.711 0.441
155 HB3 CYS 24 1HB CYS 24 3.055 -1.050 -0.753
156 H LYS 25 HN LYS 25 3.430 -4.341 1.267
157 HA LYS 25 HA LYS 25 6.212 -3.637 1.164
158 HB2 LYS 25 2HB LYS 25 4.524 -5.201 3.059
159 HB3 LYS 25 1HB LYS 25 6.277 -5.170 3.215
160 HG2 LYS 25 2HG LYS 25 6.324 -2.907 3.688
161 HG3 LYS 25 1HG LYS 25 4.731 -2.643 2.981
162 HD2 LYS 25 2HD LYS 25 4.769 -2.506 5.458
163 HD3 LYS 25 1HD LYS 25 3.663 -3.719 4.827
164 HE2 LYS 25 2HE LYS 25 5.362 -5.446 5.302
165 HE3 LYS 25 1HE LYS 25 6.393 -4.183 5.988
166 HZ1 LYS 25 1HZ LYS 25 5.030 -5.441 7.648
167 HZ2 LYS 25 2HZ LYS 25 3.645 -4.705 6.985
168 HZ3 LYS 25 3HZ LYS 25 4.850 -3.778 7.684
169 H ASN 26 HN ASN 26 4.377 -6.617 0.664
170 HA ASN 26 HA ASN 26 6.858 -8.090 0.358
171 HB2 ASN 26 2HB ASN 26 4.001 -9.042 0.247
172 HB3 ASN 26 1HB ASN 26 5.410 -10.083 0.088
173 HD21 ASN 26 1HD2 ASN 26 3.281 -10.040 2.075
174 HD22 ASN 26 2HD2 ASN 26 4.050 -9.897 3.595
175 H LYS 27 HN LYS 27 4.164 -7.111 -1.699
176 HA LYS 27 HA LYS 27 5.399 -8.494 -3.931
177 HB2 LYS 27 2HB LYS 27 2.957 -8.636 -3.683
178 HB3 LYS 27 1HB LYS 27 2.833 -6.889 -3.769
179 HG2 LYS 27 2HG LYS 27 2.166 -7.908 -5.871
180 HG3 LYS 27 1HG LYS 27 3.629 -6.947 -6.088
181 HD2 LYS 27 2HD LYS 27 4.980 -9.003 -5.962
182 HD3 LYS 27 1HD LYS 27 3.503 -9.943 -5.761
183 HE2 LYS 27 2HE LYS 27 4.146 -8.228 -8.156
184 HE3 LYS 27 1HE LYS 27 4.392 -9.964 -8.074
185 HZ1 LYS 27 1HZ LYS 27 1.719 -8.674 -7.738
186 HZ2 LYS 27 2HZ LYS 27 2.059 -10.322 -7.905
187 HZ3 LYS 27 3HZ LYS 27 2.323 -9.278 -9.183
188 H GLU 28 HN GLU 28 4.444 -5.202 -3.059
189 HA GLU 28 HA GLU 28 5.839 -4.141 -5.349
190 HB2 GLU 28 2HB GLU 28 4.455 -2.696 -3.093
191 HB3 GLU 28 1HB GLU 28 5.121 -1.936 -4.526
192 HG2 GLU 28 2HG GLU 28 2.878 -3.940 -4.496
193 HG3 GLU 28 1HG GLU 28 2.709 -2.196 -4.697
194 H HIS 29 HN HIS 29 6.640 -4.863 -2.145
195 HA HIS 29 HA HIS 29 8.482 -4.677 -0.881
196 HB2 HIS 29 2HB HIS 29 9.754 -3.961 -3.531
197 HB3 HIS 29 1HB HIS 29 10.685 -4.153 -2.050
198 HD1 HIS 29 1HD HIS 29 8.807 -6.169 -4.653
199 HD2 HIS 29 2HD HIS 29 11.001 -6.767 -1.162
200 HE1 HIS 29 1HE HIS 29 9.241 -8.627 -4.525
201 H LEU 30 HN LEU 30 6.726 -2.409 -1.125
202 HA LEU 30 HA LEU 30 8.391 -0.053 -0.945
203 HB2 LEU 30 2HB LEU 30 5.422 -0.361 -0.495
204 HB3 LEU 30 1HB LEU 30 6.282 1.156 -0.629
205 HG LEU 30 HG LEU 30 5.859 -0.873 -2.813
206 HD11 LEU 30 1HD1 LEU 30 4.772 1.903 -2.420
207 HD12 LEU 30 2HD1 LEU 30 3.872 0.389 -2.323
208 HD13 LEU 30 3HD1 LEU 30 4.548 0.916 -3.862
209 HD21 LEU 30 1HD2 LEU 30 8.043 0.155 -3.095
210 HD22 LEU 30 2HD2 LEU 30 7.339 1.758 -2.896
211 HD23 LEU 30 3HD2 LEU 30 6.923 0.783 -4.306
212 H ARG 31 HN ARG 31 7.275 1.458 1.027
213 HA ARG 31 HA ARG 31 8.510 0.353 3.359
214 HB2 ARG 31 2HB ARG 31 8.624 2.760 2.853
215 HB3 ARG 31 1HB ARG 31 6.885 2.886 3.037
216 HG2 ARG 31 2HG ARG 31 7.073 2.333 5.404
217 HG3 ARG 31 1HG ARG 31 8.816 2.140 5.234
218 HD2 ARG 31 2HD ARG 31 9.004 4.482 4.556
219 HD3 ARG 31 1HD ARG 31 7.267 4.692 4.752
220 HE ARG 31 HE ARG 31 8.506 3.705 7.109
221 HH11 ARG 31 1HH1 ARG 31 7.937 6.752 5.317
222 HH12 ARG 31 2HH1 ARG 31 8.137 7.730 6.683
223 HH21 ARG 31 1HH2 ARG 31 8.794 5.097 8.965
224 HH22 ARG 31 2HH2 ARG 31 8.612 6.783 8.777
225 H SER 32 HN SER 32 5.133 1.215 2.565
226 HA SER 32 HA SER 32 4.094 -0.993 3.972
227 HB2 SER 32 2HB SER 32 2.838 0.307 5.705
228 HB3 SER 32 1HB SER 32 4.580 0.316 5.966
229 HG SER 32 HG SER 32 3.084 2.343 5.934
230 H GLY 33 HN GLY 33 1.570 -0.681 4.112
231 HA2 GLY 33 2HA GLY 33 0.715 0.884 1.774
232 HA3 GLY 33 1HA GLY 33 0.074 -0.716 2.112
233 H ARG 34 HN ARG 34 -0.868 2.343 2.200
234 HA ARG 34 HA ARG 34 -2.192 2.083 4.798
235 HB2 ARG 34 2HB ARG 34 -1.568 4.649 3.316
236 HB3 ARG 34 1HB ARG 34 -2.234 4.505 4.935
237 HG2 ARG 34 2HG ARG 34 -0.094 3.444 5.657
238 HG3 ARG 34 1HG ARG 34 0.547 3.749 4.048
239 HD2 ARG 34 2HD ARG 34 0.149 6.166 4.371
240 HD3 ARG 34 1HD ARG 34 -0.407 5.834 6.011
241 HE ARG 34 HE ARG 34 2.316 5.236 5.059
242 HH11 ARG 34 1HH1 ARG 34 0.154 6.497 7.620
243 HH12 ARG 34 2HH1 ARG 34 1.414 6.878 8.686
244 HH21 ARG 34 1HH2 ARG 34 4.052 5.824 6.588
245 HH22 ARG 34 2HH2 ARG 34 3.638 6.514 8.092
246 H CYS 35 HN CYS 35 -4.361 2.249 4.811
247 HA CYS 35 HA CYS 35 -5.677 2.452 2.200
248 HB2 CYS 35 2HB CYS 35 -6.783 1.428 4.830
249 HB3 CYS 35 1HB CYS 35 -7.579 1.347 3.260
250 H ARG 36 HN ARG 36 -6.811 4.139 1.717
251 HA ARG 36 HA ARG 36 -7.327 6.079 3.847
252 HB2 ARG 36 2HB ARG 36 -6.886 6.481 0.895
253 HB3 ARG 36 1HB ARG 36 -7.308 7.778 2.016
254 HG2 ARG 36 2HG ARG 36 -4.783 6.117 2.059
255 HG3 ARG 36 1HG ARG 36 -4.918 7.782 1.490
256 HD2 ARG 36 2HD ARG 36 -5.621 8.462 3.752
257 HD3 ARG 36 1HD ARG 36 -5.432 6.794 4.288
258 HE ARG 36 HE ARG 36 -3.063 7.958 3.127
259 HH11 ARG 36 1HH1 ARG 36 -4.908 7.418 6.111
260 HH12 ARG 36 2HH1 ARG 36 -3.587 7.778 7.129
261 HH21 ARG 36 1HH2 ARG 36 -1.277 8.378 4.556
262 HH22 ARG 36 2HH2 ARG 36 -1.505 8.309 6.263
263 H ASP 37 HN ASP 37 -9.209 7.551 3.219
264 HA ASP 37 HA ASP 37 -11.594 6.215 3.498
265 HB2 ASP 37 2HB ASP 37 -11.402 8.535 4.071
266 HB3 ASP 37 1HB ASP 37 -11.117 8.970 2.391
267 H ASP 38 HN ASP 38 -10.086 7.144 0.527
268 HA ASP 38 HA ASP 38 -12.379 6.617 -1.102
269 HB2 ASP 38 2HB ASP 38 -9.499 7.113 -1.795
270 HB3 ASP 38 1HB ASP 38 -10.677 6.682 -3.030
271 H PHE 39 HN PHE 39 -10.649 4.516 0.580
272 HA PHE 39 HA PHE 39 -10.657 2.302 0.763
273 HB2 PHE 39 2HB PHE 39 -12.499 2.360 -1.624
274 HB3 PHE 39 1HB PHE 39 -12.063 0.884 -0.777
275 HD1 PHE 39 1HD PHE 39 -12.867 0.477 1.483
276 HD2 PHE 39 2HD PHE 39 -14.019 3.948 -0.679
277 HE1 PHE 39 1HE PHE 39 -14.710 0.853 3.069
278 HE2 PHE 39 2HE PHE 39 -15.858 4.329 0.904
279 HZ PHE 39 HZ PHE 39 -16.199 2.773 2.781
280 H ARG 40 HN ARG 40 -9.147 3.809 -1.599
281 HA ARG 40 HA ARG 40 -8.033 1.389 -2.793
282 HB2 ARG 40 2HB ARG 40 -8.679 3.267 -4.298
283 HB3 ARG 40 1HB ARG 40 -7.534 4.313 -3.464
284 HG2 ARG 40 2HG ARG 40 -6.576 3.664 -5.505
285 HG3 ARG 40 1HG ARG 40 -5.749 2.766 -4.228
286 HD2 ARG 40 2HD ARG 40 -7.146 0.807 -4.749
287 HD3 ARG 40 1HD ARG 40 -7.896 1.726 -6.064
288 HE ARG 40 HE ARG 40 -5.009 1.389 -5.974
289 HH11 ARG 40 1HH1 ARG 40 -8.062 0.649 -7.623
290 HH12 ARG 40 2HH1 ARG 40 -7.338 0.143 -9.068
291 HH21 ARG 40 1HH2 ARG 40 -4.000 0.653 -7.916
292 HH22 ARG 40 2HH2 ARG 40 -4.911 0.173 -9.267
293 H CYS 41 HN CYS 41 -5.656 1.166 -2.802
294 HA CYS 41 HA CYS 41 -4.609 1.912 -0.247
295 HB2 CYS 41 2HB CYS 41 -3.707 0.009 -2.351
296 HB3 CYS 41 1HB CYS 41 -2.647 0.474 -1.023
297 H TRP 42 HN TRP 42 -3.436 3.470 0.157
298 HA TRP 42 HA TRP 42 -1.791 4.735 -1.892
299 HB2 TRP 42 2HB TRP 42 -3.206 5.682 0.549
300 HB3 TRP 42 1HB TRP 42 -1.638 6.390 0.232
301 HD1 TRP 42 1HD TRP 42 -1.487 8.181 -1.665
302 HE1 TRP 42 1HE TRP 42 -3.249 9.448 -3.049
303 HE3 TRP 42 3HE TRP 42 -5.581 5.284 -0.689
304 HZ2 TRP 42 2HZ TRP 42 -5.969 9.261 -3.647
305 HZ3 TRP 42 3HZ TRP 42 -7.722 5.905 -1.703
306 HH2 TRP 42 2HH TRP 42 -7.906 7.859 -3.164
307 H CYS 43 HN CYS 43 0.065 3.664 -1.804
308 HA CYS 43 HA CYS 43 0.943 2.711 0.785
309 HB2 CYS 43 2HB CYS 43 1.756 1.848 -1.991
310 HB3 CYS 43 1HB CYS 43 2.404 1.177 -0.490
311 H THR 44 HN THR 44 2.926 3.110 1.563
312 HA THR 44 HA THR 44 4.020 5.636 0.753
313 HB THR 44 HB THR 44 4.765 3.804 3.052
314 HG1 THR 44 1HG THR 44 2.889 5.928 2.824
315 HG21 THR 44 1HG2 THR 44 5.223 6.746 2.554
316 HG22 THR 44 2HG2 THR 44 6.458 5.480 2.565
317 HG23 THR 44 3HG2 THR 44 5.609 5.904 4.053
318 H LYS 45 HN LYS 45 5.572 5.677 -0.722
319 HA LYS 45 HA LYS 45 7.411 3.388 -0.957
320 HB2 LYS 45 2HB LYS 45 7.674 3.983 -3.310
321 HB3 LYS 45 1HB LYS 45 5.984 3.690 -2.931
322 HG2 LYS 45 2HG LYS 45 5.636 6.139 -2.806
323 HG3 LYS 45 1HG LYS 45 7.313 6.368 -3.304
324 HD2 LYS 45 2HD LYS 45 6.843 5.093 -5.359
325 HD3 LYS 45 1HD LYS 45 5.159 4.953 -4.858
326 HE2 LYS 45 2HE LYS 45 5.319 6.742 -6.437
327 HE3 LYS 45 1HE LYS 45 5.015 7.428 -4.850
328 HZ1 LYS 45 1HZ LYS 45 7.660 7.305 -6.194
329 HZ2 LYS 45 2HZ LYS 45 7.418 7.954 -4.686
330 HZ3 LYS 45 3HZ LYS 45 6.712 8.681 -6.040
331 H ASN 46 HN ASN 46 9.598 3.945 -1.604
332 HA ASN 46 HA ASN 46 10.480 6.353 -0.251
333 HB2 ASN 46 2HB ASN 46 11.972 3.944 -1.282
334 HB3 ASN 46 1HB ASN 46 12.795 5.373 -0.676
335 HD21 ASN 46 1HD2 ASN 46 12.736 5.813 1.515
336 HD22 ASN 46 2HD2 ASN 46 12.251 4.633 2.679
337 H CYS 47 HN CYS 47 11.049 8.112 -1.210
338 HA CYS 47 HA CYS 47 11.664 8.073 -4.055
339 HB2 CYS 47 2HB CYS 47 10.515 10.321 -2.361
340 HB3 CYS 47 1HB CYS 47 10.784 10.366 -4.101
Start of MODEL 13
1 H1 LYS 1 1HT LYS 1 12.994 11.741 1.773
2 H2 LYS 1 2HT LYS 1 12.396 10.681 0.605
3 H3 LYS 1 3HT LYS 1 12.472 10.191 2.212
4 HA LYS 1 HA LYS 1 10.795 11.921 2.745
5 HB2 LYS 1 2HB LYS 1 11.334 13.407 0.839
6 HB3 LYS 1 1HB LYS 1 10.824 12.160 -0.284
7 HG2 LYS 1 2HG LYS 1 8.521 12.346 0.711
8 HG3 LYS 1 1HG LYS 1 9.104 13.756 1.598
9 HD2 LYS 1 2HD LYS 1 9.649 14.873 -0.496
10 HD3 LYS 1 1HD LYS 1 9.137 13.451 -1.405
11 HE2 LYS 1 2HE LYS 1 6.857 13.739 -0.448
12 HE3 LYS 1 1HE LYS 1 7.409 15.225 0.320
13 HZ1 LYS 1 1HZ LYS 1 7.896 16.119 -1.904
14 HZ2 LYS 1 2HZ LYS 1 6.283 15.702 -1.740
15 HZ3 LYS 1 3HZ LYS 1 7.299 14.699 -2.604
16 H THR 2 HN THR 2 8.788 10.869 3.060
17 HA THR 2 HA THR 2 8.539 8.391 1.637
18 HB THR 2 HB THR 2 6.412 8.226 3.069
19 HG1 THR 2 1HG THR 2 6.829 10.609 3.689
20 HG21 THR 2 1HG2 THR 2 9.154 8.203 4.324
21 HG22 THR 2 2HG2 THR 2 8.447 6.911 3.368
22 HG23 THR 2 3HG2 THR 2 7.742 7.333 4.936
23 H CYS 3 HN CYS 3 7.319 8.046 0.017
24 HA CYS 3 HA CYS 3 5.566 10.213 -0.854
25 HB2 CYS 3 2HB CYS 3 6.032 9.167 -3.152
26 HB3 CYS 3 1HB CYS 3 7.357 10.048 -2.386
27 H GLU 4 HN GLU 4 3.501 9.746 -1.148
28 HA GLU 4 HA GLU 4 2.659 6.992 -0.658
29 HB2 GLU 4 2HB GLU 4 2.017 8.761 0.986
30 HB3 GLU 4 1HB GLU 4 1.185 9.608 -0.303
31 HG2 GLU 4 2HG GLU 4 -0.364 7.776 -0.533
32 HG3 GLU 4 1HG GLU 4 0.488 6.873 0.726
33 H ASN 5 HN ASN 5 2.117 6.007 -2.489
34 HA ASN 5 HA ASN 5 0.726 7.522 -4.578
35 HB2 ASN 5 2HB ASN 5 2.071 6.380 -6.328
36 HB3 ASN 5 1HB ASN 5 3.035 7.448 -5.318
37 HD21 ASN 5 1HD2 ASN 5 2.428 4.171 -6.262
38 HD22 ASN 5 2HD2 ASN 5 3.805 3.485 -5.502
39 H LEU 6 HN LEU 6 -0.675 6.339 -5.862
40 HA LEU 6 HA LEU 6 -2.047 4.301 -4.540
41 HB2 LEU 6 2HB LEU 6 -2.233 5.388 -7.307
42 HB3 LEU 6 1HB LEU 6 -3.183 4.003 -6.821
43 HG LEU 6 HG LEU 6 -3.288 6.648 -5.377
44 HD11 LEU 6 1HD1 LEU 6 -5.381 6.972 -6.528
45 HD12 LEU 6 2HD1 LEU 6 -5.148 5.468 -7.418
46 HD13 LEU 6 3HD1 LEU 6 -4.074 6.850 -7.715
47 HD21 LEU 6 1HD2 LEU 6 -5.018 4.199 -5.373
48 HD22 LEU 6 2HD2 LEU 6 -5.349 5.697 -4.508
49 HD23 LEU 6 3HD2 LEU 6 -3.954 4.720 -4.065
50 H ALA 7 HN ALA 7 -2.261 2.224 -4.734
51 HA ALA 7 HA ALA 7 -0.154 0.695 -5.951
52 HB1 ALA 7 1HB ALA 7 -2.666 -0.160 -4.508
53 HB2 ALA 7 2HB ALA 7 -1.074 0.039 -3.781
54 HB3 ALA 7 3HB ALA 7 -1.344 -1.228 -4.977
55 H ASP 8 HN ASP 8 -0.269 -0.206 -7.899
56 HA ASP 8 HA ASP 8 -2.749 0.026 -9.422
57 HB2 ASP 8 2HB ASP 8 -0.649 0.822 -10.443
58 HB3 ASP 8 1HB ASP 8 0.019 -0.801 -10.304
59 H THR 9 HN THR 9 -0.469 -2.340 -8.171
60 HA THR 9 HA THR 9 -1.573 -4.553 -9.479
61 HB THR 9 HB THR 9 0.074 -4.511 -6.951
62 HG1 THR 9 1HG THR 9 1.815 -4.165 -8.187
63 HG21 THR 9 1HG2 THR 9 0.934 -6.597 -7.840
64 HG22 THR 9 2HG2 THR 9 -0.083 -6.415 -9.277
65 HG23 THR 9 3HG2 THR 9 -0.828 -6.680 -7.692
66 H TYR 10 HN TYR 10 -2.491 -2.791 -6.646
67 HA TYR 10 HA TYR 10 -3.855 -5.007 -5.431
68 HB2 TYR 10 2HB TYR 10 -2.825 -3.020 -4.168
69 HB3 TYR 10 1HB TYR 10 -4.218 -2.095 -4.715
70 HD1 TYR 10 1HD TYR 10 -6.483 -2.611 -3.821
71 HD2 TYR 10 2HD TYR 10 -3.030 -4.688 -2.475
72 HE1 TYR 10 1HE TYR 10 -7.738 -3.445 -1.907
73 HE2 TYR 10 2HE TYR 10 -4.264 -5.532 -0.562
74 HH TYR 10 HH TYR 10 -6.257 -4.923 0.765
75 H LYS 11 HN LYS 11 -5.399 -5.739 -6.642
76 HA LYS 11 HA LYS 11 -7.307 -3.906 -7.831
77 HB2 LYS 11 2HB LYS 11 -8.052 -6.004 -9.095
78 HB3 LYS 11 1HB LYS 11 -6.468 -5.360 -9.489
79 HG2 LYS 11 2HG LYS 11 -5.485 -7.067 -7.939
80 HG3 LYS 11 1HG LYS 11 -7.094 -7.771 -7.798
81 HD2 LYS 11 2HD LYS 11 -7.135 -8.176 -10.199
82 HD3 LYS 11 1HD LYS 11 -5.550 -7.422 -10.368
83 HE2 LYS 11 2HE LYS 11 -4.607 -9.143 -8.859
84 HE3 LYS 11 1HE LYS 11 -6.184 -9.925 -8.802
85 HZ1 LYS 11 1HZ LYS 11 -4.508 -9.559 -11.231
86 HZ2 LYS 11 2HZ LYS 11 -6.034 -10.281 -11.198
87 HZ3 LYS 11 3HZ LYS 11 -4.749 -10.999 -10.386
88 H GLY 12 HN GLY 12 -8.848 -3.388 -6.537
89 HA2 GLY 12 2HA GLY 12 -11.006 -4.344 -5.725
90 HA3 GLY 12 1HA GLY 12 -9.992 -5.393 -4.734
91 HA PRO 13 HA PRO 13 -10.469 -1.206 -2.570
92 HB2 PRO 13 2HB PRO 13 -12.706 -2.197 -1.002
93 HB3 PRO 13 1HB PRO 13 -12.640 -0.761 -2.027
94 HG2 PRO 13 2HG PRO 13 -14.149 -2.938 -2.634
95 HG3 PRO 13 1HG PRO 13 -13.446 -1.878 -3.869
96 HD2 PRO 13 2HD PRO 13 -12.467 -4.532 -2.870
97 HD3 PRO 13 1HD PRO 13 -12.567 -3.921 -4.537
98 H CYS 14 HN CYS 14 -9.847 -0.870 -0.419
99 HA CYS 14 HA CYS 14 -8.672 -3.210 0.790
100 HB2 CYS 14 2HB CYS 14 -7.221 -1.294 0.593
101 HB3 CYS 14 1HB CYS 14 -8.381 -0.278 1.448
102 H PHE 15 HN PHE 15 -9.862 -4.326 2.082
103 HA PHE 15 HA PHE 15 -11.588 -2.952 3.992
104 HB2 PHE 15 2HB PHE 15 -11.495 -5.871 3.159
105 HB3 PHE 15 1HB PHE 15 -12.585 -5.211 4.377
106 HD1 PHE 15 1HD PHE 15 -11.955 -5.633 0.835
107 HD2 PHE 15 2HD PHE 15 -14.335 -3.591 3.712
108 HE1 PHE 15 1HE PHE 15 -13.569 -5.038 -0.921
109 HE2 PHE 15 2HE PHE 15 -15.948 -3.001 1.962
110 HZ PHE 15 HZ PHE 15 -15.570 -3.722 -0.359
111 H THR 16 HN THR 16 -9.166 -5.513 3.688
112 HA THR 16 HA THR 16 -8.477 -5.209 6.488
113 HB THR 16 HB THR 16 -7.220 -6.991 4.436
114 HG1 THR 16 1HG THR 16 -8.719 -8.545 4.987
115 HG21 THR 16 1HG2 THR 16 -6.557 -8.346 6.390
116 HG22 THR 16 2HG2 THR 16 -7.322 -7.163 7.450
117 HG23 THR 16 3HG2 THR 16 -5.926 -6.700 6.478
118 H THR 17 HN THR 17 -7.316 -3.441 6.741
119 HA THR 17 HA THR 17 -5.717 -2.081 4.932
120 HB THR 17 HB THR 17 -5.330 -2.124 7.916
121 HG1 THR 17 1HG THR 17 -7.340 -0.655 6.500
122 HG21 THR 17 1HG2 THR 17 -5.213 0.084 5.850
123 HG22 THR 17 2HG2 THR 17 -3.825 -0.705 6.601
124 HG23 THR 17 3HG2 THR 17 -4.918 0.273 7.580
125 H GLY 18 HN GLY 18 -5.056 -4.640 7.229
126 HA2 GLY 18 2HA GLY 18 -2.239 -4.470 7.289
127 HA3 GLY 18 1HA GLY 18 -3.195 -5.873 7.745
128 H SER 19 HN SER 19 -4.452 -6.180 5.186
129 HA SER 19 HA SER 19 -2.375 -7.718 3.959
130 HB2 SER 19 2HB SER 19 -4.715 -8.561 4.174
131 HB3 SER 19 1HB SER 19 -5.237 -7.312 3.045
132 HG SER 19 HG SER 19 -3.962 -9.695 2.598
133 H CYS 20 HN CYS 20 -3.955 -4.669 3.369
134 HA CYS 20 HA CYS 20 -2.967 -4.330 0.707
135 HB2 CYS 20 2HB CYS 20 -4.866 -3.014 1.402
136 HB3 CYS 20 1HB CYS 20 -3.972 -2.366 2.772
137 H ASP 21 HN ASP 21 -1.974 -3.326 3.912
138 HA ASP 21 HA ASP 21 0.373 -1.980 3.290
139 HB2 ASP 21 2HB ASP 21 -0.580 -1.910 5.493
140 HB3 ASP 21 1HB ASP 21 -0.407 -3.648 5.680
141 H ASP 22 HN ASP 22 -0.248 -5.351 3.927
142 HA ASP 22 HA ASP 22 2.366 -6.371 3.705
143 HB2 ASP 22 2HB ASP 22 0.477 -7.590 4.721
144 HB3 ASP 22 1HB ASP 22 -0.281 -7.713 3.143
145 H HIS 23 HN HIS 23 -0.148 -5.748 1.348
146 HA HIS 23 HA HIS 23 0.965 -7.074 -0.861
147 HB2 HIS 23 2HB HIS 23 -1.403 -6.357 -0.749
148 HB3 HIS 23 1HB HIS 23 -0.893 -4.678 -0.804
149 HD1 HIS 23 1HD HIS 23 -1.840 -7.481 -2.963
150 HD2 HIS 23 2HD HIS 23 0.287 -3.938 -3.359
151 HE1 HIS 23 1HE HIS 23 -1.696 -7.034 -5.422
152 H CYS 24 HN CYS 24 0.981 -3.614 -0.006
153 HA CYS 24 HA CYS 24 2.672 -2.835 -2.087
154 HB2 CYS 24 2HB CYS 24 2.377 -1.536 0.631
155 HB3 CYS 24 1HB CYS 24 3.082 -0.780 -0.792
156 H LYS 25 HN LYS 25 3.399 -4.026 1.138
157 HA LYS 25 HA LYS 25 6.180 -3.573 1.054
158 HB2 LYS 25 2HB LYS 25 4.513 -5.492 2.655
159 HB3 LYS 25 1HB LYS 25 6.257 -5.360 2.822
160 HG2 LYS 25 2HG LYS 25 6.065 -3.074 3.523
161 HG3 LYS 25 1HG LYS 25 4.325 -3.108 3.225
162 HD2 LYS 25 2HD LYS 25 4.006 -4.726 4.968
163 HD3 LYS 25 1HD LYS 25 5.750 -4.880 5.202
164 HE2 LYS 25 2HE LYS 25 5.900 -2.639 6.016
165 HE3 LYS 25 1HE LYS 25 4.227 -2.311 5.571
166 HZ1 LYS 25 1HZ LYS 25 3.473 -3.823 7.160
167 HZ2 LYS 25 2HZ LYS 25 4.495 -2.738 7.953
168 HZ3 LYS 25 3HZ LYS 25 5.030 -4.318 7.608
169 H ASN 26 HN ASN 26 4.348 -6.581 0.493
170 HA ASN 26 HA ASN 26 6.797 -7.928 -0.232
171 HB2 ASN 26 2HB ASN 26 3.954 -8.896 -0.136
172 HB3 ASN 26 1HB ASN 26 5.285 -9.879 -0.729
173 HD21 ASN 26 1HD2 ASN 26 3.785 -8.471 2.011
174 HD22 ASN 26 2HD2 ASN 26 4.693 -9.303 3.206
175 H LYS 27 HN LYS 27 3.748 -7.394 -1.963
176 HA LYS 27 HA LYS 27 4.732 -8.495 -4.345
177 HB2 LYS 27 2HB LYS 27 2.376 -8.498 -3.929
178 HB3 LYS 27 1HB LYS 27 2.337 -6.750 -3.788
179 HG2 LYS 27 2HG LYS 27 1.410 -7.477 -5.902
180 HG3 LYS 27 1HG LYS 27 2.878 -6.527 -6.143
181 HD2 LYS 27 2HD LYS 27 4.070 -8.826 -6.209
182 HD3 LYS 27 1HD LYS 27 2.455 -9.480 -6.483
183 HE2 LYS 27 2HE LYS 27 3.612 -9.070 -8.578
184 HE3 LYS 27 1HE LYS 27 2.203 -8.021 -8.436
185 HZ1 LYS 27 1HZ LYS 27 3.707 -6.198 -7.733
186 HZ2 LYS 27 2HZ LYS 27 4.139 -6.809 -9.240
187 HZ3 LYS 27 3HZ LYS 27 5.016 -7.266 -7.877
188 H GLU 28 HN GLU 28 4.395 -5.194 -3.276
189 HA GLU 28 HA GLU 28 5.566 -4.323 -5.792
190 HB2 GLU 28 2HB GLU 28 4.309 -2.739 -3.577
191 HB3 GLU 28 1HB GLU 28 4.985 -2.033 -5.037
192 HG2 GLU 28 2HG GLU 28 2.716 -4.002 -4.914
193 HG3 GLU 28 1HG GLU 28 2.583 -2.272 -5.234
194 H HIS 29 HN HIS 29 6.729 -5.199 -2.860
195 HA HIS 29 HA HIS 29 8.734 -5.089 -1.823
196 HB2 HIS 29 2HB HIS 29 9.699 -3.849 -4.421
197 HB3 HIS 29 1HB HIS 29 10.747 -4.419 -3.133
198 HD1 HIS 29 1HD HIS 29 9.618 -5.449 -6.322
199 HD2 HIS 29 2HD HIS 29 10.069 -7.368 -2.662
200 HE1 HIS 29 1HE HIS 29 9.826 -7.892 -6.851
201 H LEU 30 HN LEU 30 6.867 -2.826 -1.628
202 HA LEU 30 HA LEU 30 8.642 -0.530 -1.346
203 HB2 LEU 30 2HB LEU 30 5.644 -0.676 -1.101
204 HB3 LEU 30 1HB LEU 30 6.610 0.784 -1.124
205 HG LEU 30 HG LEU 30 6.193 -1.142 -3.399
206 HD11 LEU 30 1HD1 LEU 30 5.319 1.708 -3.030
207 HD12 LEU 30 2HD1 LEU 30 4.293 0.269 -3.004
208 HD13 LEU 30 3HD1 LEU 30 5.109 0.743 -4.490
209 HD21 LEU 30 1HD2 LEU 30 7.498 0.456 -4.760
210 HD22 LEU 30 2HD2 LEU 30 8.461 -0.324 -3.512
211 HD23 LEU 30 3HD2 LEU 30 7.910 1.335 -3.286
212 H ARG 31 HN ARG 31 7.746 0.944 0.580
213 HA ARG 31 HA ARG 31 8.701 -0.330 2.907
214 HB2 ARG 31 2HB ARG 31 9.122 2.022 2.553
215 HB3 ARG 31 1HB ARG 31 7.395 2.360 2.535
216 HG2 ARG 31 2HG ARG 31 7.269 1.620 4.879
217 HG3 ARG 31 1HG ARG 31 9.018 1.408 4.872
218 HD2 ARG 31 2HD ARG 31 9.306 3.789 4.381
219 HD3 ARG 31 1HD ARG 31 7.557 3.987 4.347
220 HE ARG 31 HE ARG 31 7.851 2.948 6.728
221 HH11 ARG 31 1HH1 ARG 31 9.898 5.474 5.264
222 HH12 ARG 31 2HH1 ARG 31 10.090 6.310 6.727
223 HH21 ARG 31 1HH2 ARG 31 8.188 4.082 8.713
224 HH22 ARG 31 2HH2 ARG 31 9.118 5.499 8.742
225 H SER 32 HN SER 32 5.455 1.051 2.233
226 HA SER 32 HA SER 32 4.211 -1.009 3.844
227 HB2 SER 32 2HB SER 32 4.075 1.907 4.678
228 HB3 SER 32 1HB SER 32 3.167 0.584 5.409
229 HG SER 32 HG SER 32 5.736 -0.079 5.356
230 H GLY 33 HN GLY 33 1.734 -0.489 3.946
231 HA2 GLY 33 2HA GLY 33 0.919 1.038 1.583
232 HA3 GLY 33 1HA GLY 33 0.314 -0.600 1.801
233 H ARG 34 HN ARG 34 -0.882 2.266 1.877
234 HA ARG 34 HA ARG 34 -2.205 1.906 4.451
235 HB2 ARG 34 2HB ARG 34 -1.464 4.487 3.087
236 HB3 ARG 34 1HB ARG 34 -2.507 4.376 4.495
237 HG2 ARG 34 2HG ARG 34 -0.647 3.362 5.753
238 HG3 ARG 34 1HG ARG 34 0.389 3.577 4.338
239 HD2 ARG 34 2HD ARG 34 0.028 5.978 4.431
240 HD3 ARG 34 1HD ARG 34 -1.044 5.769 5.815
241 HE ARG 34 HE ARG 34 1.632 4.727 6.132
242 HH11 ARG 34 1HH1 ARG 34 -0.505 7.489 6.629
243 HH12 ARG 34 2HH1 ARG 34 0.395 8.147 7.920
244 HH21 ARG 34 1HH2 ARG 34 2.876 5.602 7.864
245 HH22 ARG 34 2HH2 ARG 34 2.408 7.042 8.636
246 H CYS 35 HN CYS 35 -4.352 2.280 4.526
247 HA CYS 35 HA CYS 35 -5.696 2.404 1.920
248 HB2 CYS 35 2HB CYS 35 -6.724 1.330 4.551
249 HB3 CYS 35 1HB CYS 35 -7.513 1.195 2.976
250 H ARG 36 HN ARG 36 -6.544 4.221 1.498
251 HA ARG 36 HA ARG 36 -6.920 6.145 3.647
252 HB2 ARG 36 2HB ARG 36 -6.896 6.454 0.667
253 HB3 ARG 36 1HB ARG 36 -7.143 7.797 1.788
254 HG2 ARG 36 2HG ARG 36 -4.676 6.065 1.585
255 HG3 ARG 36 1HG ARG 36 -4.838 7.702 0.953
256 HD2 ARG 36 2HD ARG 36 -5.021 6.888 3.853
257 HD3 ARG 36 1HD ARG 36 -3.641 7.668 3.084
258 HE ARG 36 HE ARG 36 -5.794 9.296 2.598
259 HH11 ARG 36 1HH1 ARG 36 -4.106 8.115 5.488
260 HH12 ARG 36 2HH1 ARG 36 -4.443 9.515 6.401
261 HH21 ARG 36 1HH2 ARG 36 -6.271 11.181 3.892
262 HH22 ARG 36 2HH2 ARG 36 -5.679 11.274 5.487
263 H ASP 37 HN ASP 37 -8.763 7.799 2.961
264 HA ASP 37 HA ASP 37 -11.151 6.826 3.876
265 HB2 ASP 37 2HB ASP 37 -10.533 9.203 3.791
266 HB3 ASP 37 1HB ASP 37 -10.747 9.191 2.049
267 H ASP 38 HN ASP 38 -10.127 7.000 0.560
268 HA ASP 38 HA ASP 38 -12.664 6.381 -0.652
269 HB2 ASP 38 2HB ASP 38 -9.855 6.455 -1.682
270 HB3 ASP 38 1HB ASP 38 -11.122 5.732 -2.651
271 H PHE 39 HN PHE 39 -10.807 4.430 1.222
272 HA PHE 39 HA PHE 39 -10.518 2.202 1.518
273 HB2 PHE 39 2HB PHE 39 -12.734 2.022 -0.543
274 HB3 PHE 39 1HB PHE 39 -11.948 0.583 0.075
275 HD1 PHE 39 1HD PHE 39 -12.625 -0.376 2.082
276 HD2 PHE 39 2HD PHE 39 -13.984 3.529 1.070
277 HE1 PHE 39 1HE PHE 39 -14.240 -0.472 3.924
278 HE2 PHE 39 2HE PHE 39 -15.605 3.438 2.928
279 HZ PHE 39 HZ PHE 39 -15.730 1.431 4.352
280 H ARG 40 HN ARG 40 -9.237 3.848 -0.646
281 HA ARG 40 HA ARG 40 -8.391 1.677 -2.399
282 HB2 ARG 40 2HB ARG 40 -9.264 3.840 -3.401
283 HB3 ARG 40 1HB ARG 40 -7.830 4.631 -2.767
284 HG2 ARG 40 2HG ARG 40 -7.555 4.121 -5.113
285 HG3 ARG 40 1HG ARG 40 -6.434 3.165 -4.138
286 HD2 ARG 40 2HD ARG 40 -7.946 1.242 -4.289
287 HD3 ARG 40 1HD ARG 40 -9.059 2.204 -5.263
288 HE ARG 40 HE ARG 40 -6.949 2.393 -6.741
289 HH11 ARG 40 1HH1 ARG 40 -8.239 -0.502 -5.120
290 HH12 ARG 40 2HH1 ARG 40 -7.495 -1.584 -6.204
291 HH21 ARG 40 1HH2 ARG 40 -6.060 0.883 -8.276
292 HH22 ARG 40 2HH2 ARG 40 -6.276 -0.801 -8.066
293 H CYS 41 HN CYS 41 -6.103 1.437 -2.835
294 HA CYS 41 HA CYS 41 -4.632 1.748 -0.378
295 HB2 CYS 41 2HB CYS 41 -4.402 -0.102 -2.702
296 HB3 CYS 41 1HB CYS 41 -3.058 0.093 -1.587
297 H TRP 42 HN TRP 42 -3.311 3.241 -0.121
298 HA TRP 42 HA TRP 42 -1.763 4.299 -2.359
299 HB2 TRP 42 2HB TRP 42 -2.996 5.516 0.031
300 HB3 TRP 42 1HB TRP 42 -1.339 6.006 -0.263
301 HD1 TRP 42 1HD TRP 42 -0.881 7.478 -2.476
302 HE1 TRP 42 1HE TRP 42 -2.416 8.961 -3.887
303 HE3 TRP 42 3HE TRP 42 -5.413 5.692 -0.910
304 HZ2 TRP 42 2HZ TRP 42 -5.175 9.347 -4.294
305 HZ3 TRP 42 3HZ TRP 42 -7.460 6.692 -1.869
306 HH2 TRP 42 2HH TRP 42 -7.332 8.477 -3.522
307 H CYS 43 HN CYS 43 0.104 3.266 -2.395
308 HA CYS 43 HA CYS 43 1.172 2.003 -0.059
309 HB2 CYS 43 2HB CYS 43 2.316 2.278 -2.842
310 HB3 CYS 43 1HB CYS 43 2.964 1.263 -1.564
311 H THR 44 HN THR 44 2.954 2.642 1.037
312 HA THR 44 HA THR 44 3.928 5.328 0.421
313 HB THR 44 HB THR 44 3.893 3.849 3.068
314 HG1 THR 44 1HG THR 44 1.935 4.976 1.805
315 HG21 THR 44 1HG2 THR 44 4.557 6.735 2.403
316 HG22 THR 44 2HG2 THR 44 5.722 5.500 2.883
317 HG23 THR 44 3HG2 THR 44 4.495 6.044 4.024
318 H LYS 45 HN LYS 45 5.905 5.283 -0.394
319 HA LYS 45 HA LYS 45 7.717 3.186 0.529
320 HB2 LYS 45 2HB LYS 45 8.668 2.963 -1.689
321 HB3 LYS 45 1HB LYS 45 6.930 2.746 -1.809
322 HG2 LYS 45 2HG LYS 45 6.781 5.128 -2.564
323 HG3 LYS 45 1HG LYS 45 8.542 5.144 -2.627
324 HD2 LYS 45 2HD LYS 45 8.383 3.149 -4.172
325 HD3 LYS 45 1HD LYS 45 6.649 3.442 -4.237
326 HE2 LYS 45 2HE LYS 45 8.860 5.280 -5.149
327 HE3 LYS 45 1HE LYS 45 7.675 4.454 -6.150
328 HZ1 LYS 45 1HZ LYS 45 5.943 5.821 -4.985
329 HZ2 LYS 45 2HZ LYS 45 7.022 6.669 -5.952
330 HZ3 LYS 45 3HZ LYS 45 7.222 6.700 -4.281
331 H ASN 46 HN ASN 46 10.053 3.943 0.001
332 HA ASN 46 HA ASN 46 10.144 6.683 0.962
333 HB2 ASN 46 2HB ASN 46 12.363 4.620 0.939
334 HB3 ASN 46 1HB ASN 46 12.495 6.248 1.582
335 HD21 ASN 46 1HD2 ASN 46 11.461 3.046 2.155
336 HD22 ASN 46 2HD2 ASN 46 10.969 3.255 3.784
337 H CYS 47 HN CYS 47 10.500 8.199 -0.358
338 HA CYS 47 HA CYS 47 11.988 7.706 -2.813
339 HB2 CYS 47 2HB CYS 47 9.881 9.767 -2.105
340 HB3 CYS 47 1HB CYS 47 10.889 9.902 -3.539
Start of MODEL 14
1 H1 LYS 1 1HT LYS 1 11.859 9.961 4.523
2 H2 LYS 1 2HT LYS 1 12.751 11.343 4.062
3 H3 LYS 1 3HT LYS 1 12.508 10.064 2.988
4 HA LYS 1 HA LYS 1 10.292 11.660 4.033
5 HB2 LYS 1 2HB LYS 1 11.833 12.962 2.573
6 HB3 LYS 1 1HB LYS 1 11.652 11.732 1.335
7 HG2 LYS 1 2HG LYS 1 9.206 12.231 1.286
8 HG3 LYS 1 1HG LYS 1 9.516 13.581 2.378
9 HD2 LYS 1 2HD LYS 1 10.733 13.217 -0.359
10 HD3 LYS 1 1HD LYS 1 9.403 14.306 0.032
11 HE2 LYS 1 2HE LYS 1 10.820 15.590 1.475
12 HE3 LYS 1 1HE LYS 1 12.152 14.461 1.263
13 HZ1 LYS 1 1HZ LYS 1 12.134 15.036 -1.115
14 HZ2 LYS 1 2HZ LYS 1 12.521 16.319 -0.126
15 HZ3 LYS 1 3HZ LYS 1 10.985 16.231 -0.822
16 H THR 2 HN THR 2 8.344 10.813 3.397
17 HA THR 2 HA THR 2 8.483 8.457 1.697
18 HB THR 2 HB THR 2 6.274 7.917 2.909
19 HG1 THR 2 1HG THR 2 5.834 9.023 4.698
20 HG21 THR 2 1HG2 THR 2 8.334 6.657 3.154
21 HG22 THR 2 2HG2 THR 2 7.505 6.786 4.712
22 HG23 THR 2 3HG2 THR 2 8.917 7.794 4.368
23 H CYS 3 HN CYS 3 7.138 8.338 -0.002
24 HA CYS 3 HA CYS 3 5.094 10.388 -0.159
25 HB2 CYS 3 2HB CYS 3 5.393 10.670 -2.558
26 HB3 CYS 3 1HB CYS 3 6.944 10.926 -1.790
27 H GLU 4 HN GLU 4 3.208 9.695 -1.383
28 HA GLU 4 HA GLU 4 2.930 6.794 -1.132
29 HB2 GLU 4 2HB GLU 4 2.088 8.208 0.763
30 HB3 GLU 4 1HB GLU 4 0.932 8.893 -0.360
31 HG2 GLU 4 2HG GLU 4 -0.088 6.776 -0.667
32 HG3 GLU 4 1HG GLU 4 1.129 5.987 0.344
33 H ASN 5 HN ASN 5 1.735 5.845 -2.725
34 HA ASN 5 HA ASN 5 0.319 7.476 -4.676
35 HB2 ASN 5 2HB ASN 5 2.657 7.399 -5.503
36 HB3 ASN 5 1HB ASN 5 2.637 5.648 -5.402
37 HD21 ASN 5 1HD2 ASN 5 1.488 8.442 -7.152
38 HD22 ASN 5 2HD2 ASN 5 0.989 7.575 -8.558
39 H LEU 6 HN LEU 6 -1.127 6.192 -5.959
40 HA LEU 6 HA LEU 6 -2.385 4.139 -4.573
41 HB2 LEU 6 2HB LEU 6 -2.653 5.236 -7.319
42 HB3 LEU 6 1HB LEU 6 -3.475 3.746 -6.915
43 HG LEU 6 HG LEU 6 -3.857 6.304 -5.355
44 HD11 LEU 6 1HD1 LEU 6 -5.961 6.488 -6.515
45 HD12 LEU 6 2HD1 LEU 6 -5.583 5.082 -7.502
46 HD13 LEU 6 3HD1 LEU 6 -4.641 6.578 -7.689
47 HD21 LEU 6 1HD2 LEU 6 -4.369 4.253 -4.154
48 HD22 LEU 6 2HD2 LEU 6 -5.378 3.720 -5.496
49 HD23 LEU 6 3HD2 LEU 6 -5.834 5.142 -4.561
50 H ALA 7 HN ALA 7 -2.647 2.037 -4.849
51 HA ALA 7 HA ALA 7 -0.539 0.537 -6.162
52 HB1 ALA 7 1HB ALA 7 -2.882 -0.327 -4.452
53 HB2 ALA 7 2HB ALA 7 -1.222 -0.116 -3.902
54 HB3 ALA 7 3HB ALA 7 -1.617 -1.403 -5.039
55 H ASP 8 HN ASP 8 -0.797 -0.096 -8.168
56 HA ASP 8 HA ASP 8 -3.246 0.316 -9.626
57 HB2 ASP 8 2HB ASP 8 -1.135 0.872 -10.668
58 HB3 ASP 8 1HB ASP 8 -0.562 -0.777 -10.474
59 H THR 9 HN THR 9 -1.319 -2.525 -8.705
60 HA THR 9 HA THR 9 -2.872 -4.374 -10.131
61 HB THR 9 HB THR 9 -1.019 -4.868 -7.815
62 HG1 THR 9 1HG THR 9 0.607 -4.834 -9.328
63 HG21 THR 9 1HG2 THR 9 -2.276 -6.786 -8.640
64 HG22 THR 9 2HG2 THR 9 -0.560 -6.936 -9.045
65 HG23 THR 9 3HG2 THR 9 -1.726 -6.438 -10.280
66 H TYR 10 HN TYR 10 -2.873 -3.112 -6.850
67 HA TYR 10 HA TYR 10 -4.516 -5.139 -5.743
68 HB2 TYR 10 2HB TYR 10 -3.074 -3.629 -4.357
69 HB3 TYR 10 1HB TYR 10 -4.166 -2.302 -4.729
70 HD1 TYR 10 1HD TYR 10 -6.604 -2.497 -3.947
71 HD2 TYR 10 2HD TYR 10 -3.531 -5.101 -2.580
72 HE1 TYR 10 1HE TYR 10 -8.004 -3.130 -2.065
73 HE2 TYR 10 2HE TYR 10 -4.924 -5.749 -0.681
74 HH TYR 10 HH TYR 10 -6.892 -4.607 0.611
75 H LYS 11 HN LYS 11 -6.485 -5.498 -6.297
76 HA LYS 11 HA LYS 11 -8.186 -3.264 -7.063
77 HB2 LYS 11 2HB LYS 11 -9.458 -4.991 -8.389
78 HB3 LYS 11 1HB LYS 11 -7.843 -4.611 -8.961
79 HG2 LYS 11 2HG LYS 11 -7.009 -6.660 -7.839
80 HG3 LYS 11 1HG LYS 11 -8.671 -7.054 -7.401
81 HD2 LYS 11 2HD LYS 11 -8.023 -8.273 -9.390
82 HD3 LYS 11 1HD LYS 11 -9.263 -7.087 -9.786
83 HE2 LYS 11 2HE LYS 11 -7.548 -7.110 -11.486
84 HE3 LYS 11 1HE LYS 11 -7.524 -5.567 -10.658
85 HZ1 LYS 11 1HZ LYS 11 -5.637 -7.828 -10.159
86 HZ2 LYS 11 2HZ LYS 11 -5.560 -6.320 -9.405
87 HZ3 LYS 11 3HZ LYS 11 -5.308 -6.447 -11.049
88 H GLY 12 HN GLY 12 -10.060 -3.014 -6.059
89 HA2 GLY 12 2HA GLY 12 -11.980 -3.967 -4.912
90 HA3 GLY 12 1HA GLY 12 -10.857 -5.034 -4.066
91 HA PRO 13 HA PRO 13 -11.281 -1.027 -1.681
92 HB2 PRO 13 2HB PRO 13 -13.256 -1.900 0.133
93 HB3 PRO 13 1HB PRO 13 -13.483 -0.752 -1.184
94 HG2 PRO 13 2HG PRO 13 -14.586 -3.348 -0.983
95 HG3 PRO 13 1HG PRO 13 -14.644 -2.279 -2.387
96 HD2 PRO 13 2HD PRO 13 -12.893 -4.602 -1.846
97 HD3 PRO 13 1HD PRO 13 -13.405 -3.911 -3.399
98 H CYS 14 HN CYS 14 -10.140 -0.757 0.178
99 HA CYS 14 HA CYS 14 -8.860 -3.045 1.260
100 HB2 CYS 14 2HB CYS 14 -7.544 -1.057 1.148
101 HB3 CYS 14 1HB CYS 14 -8.730 -0.142 2.074
102 H PHE 15 HN PHE 15 -9.785 -4.376 2.565
103 HA PHE 15 HA PHE 15 -11.716 -3.444 4.527
104 HB2 PHE 15 2HB PHE 15 -10.759 -6.269 3.956
105 HB3 PHE 15 1HB PHE 15 -12.077 -5.826 5.030
106 HD1 PHE 15 1HD PHE 15 -14.011 -4.454 3.920
107 HD2 PHE 15 2HD PHE 15 -11.229 -6.860 1.780
108 HE1 PHE 15 1HE PHE 15 -15.592 -4.614 2.054
109 HE2 PHE 15 2HE PHE 15 -12.815 -7.023 -0.093
110 HZ PHE 15 HZ PHE 15 -14.994 -5.900 0.038
111 H THR 16 HN THR 16 -8.940 -5.687 4.650
112 HA THR 16 HA THR 16 -8.305 -4.670 7.303
113 HB THR 16 HB THR 16 -7.087 -7.006 5.827
114 HG1 THR 16 1HG THR 16 -9.504 -6.766 7.277
115 HG21 THR 16 1HG2 THR 16 -6.547 -7.799 8.102
116 HG22 THR 16 2HG2 THR 16 -7.286 -6.349 8.779
117 HG23 THR 16 3HG2 THR 16 -5.833 -6.217 7.787
118 H THR 17 HN THR 17 -6.802 -3.061 7.323
119 HA THR 17 HA THR 17 -5.310 -2.229 5.140
120 HB THR 17 HB THR 17 -4.813 -1.707 8.080
121 HG1 THR 17 1HG THR 17 -6.248 -0.396 6.031
122 HG21 THR 17 1HG2 THR 17 -3.883 -0.145 5.648
123 HG22 THR 17 2HG2 THR 17 -2.844 -1.123 6.682
124 HG23 THR 17 3HG2 THR 17 -3.626 0.318 7.333
125 H GLY 18 HN GLY 18 -4.456 -4.502 7.677
126 HA2 GLY 18 2HA GLY 18 -1.725 -4.737 7.219
127 HA3 GLY 18 1HA GLY 18 -2.750 -6.027 7.828
128 H SER 19 HN SER 19 -4.403 -6.200 5.431
129 HA SER 19 HA SER 19 -2.816 -7.962 3.873
130 HB2 SER 19 2HB SER 19 -5.512 -6.790 3.184
131 HB3 SER 19 1HB SER 19 -4.845 -8.340 2.661
132 HG SER 19 HG SER 19 -5.995 -8.994 4.289
133 H CYS 20 HN CYS 20 -3.939 -4.665 3.563
134 HA CYS 20 HA CYS 20 -3.181 -4.266 0.843
135 HB2 CYS 20 2HB CYS 20 -4.917 -2.907 1.872
136 HB3 CYS 20 1HB CYS 20 -3.789 -2.337 3.092
137 H ASP 21 HN ASP 21 -1.750 -3.566 3.988
138 HA ASP 21 HA ASP 21 0.604 -2.340 3.061
139 HB2 ASP 21 2HB ASP 21 -0.039 -2.083 5.365
140 HB3 ASP 21 1HB ASP 21 -0.005 -3.823 5.619
141 H ASP 22 HN ASP 22 -0.249 -5.686 3.650
142 HA ASP 22 HA ASP 22 2.245 -6.890 3.188
143 HB2 ASP 22 2HB ASP 22 0.287 -8.162 4.011
144 HB3 ASP 22 1HB ASP 22 -0.497 -7.934 2.456
145 H HIS 23 HN HIS 23 -0.321 -5.924 0.951
146 HA HIS 23 HA HIS 23 0.871 -6.928 -1.377
147 HB2 HIS 23 2HB HIS 23 -1.522 -6.259 -1.238
148 HB3 HIS 23 1HB HIS 23 -1.031 -4.579 -1.097
149 HD1 HIS 23 1HD HIS 23 -1.538 -7.298 -3.612
150 HD2 HIS 23 2HD HIS 23 -0.093 -3.412 -3.457
151 HE1 HIS 23 1HE HIS 23 -1.342 -6.547 -6.007
152 H CYS 24 HN CYS 24 0.981 -3.725 0.110
153 HA CYS 24 HA CYS 24 2.640 -2.665 -1.877
154 HB2 CYS 24 2HB CYS 24 2.213 -1.694 0.942
155 HB3 CYS 24 1HB CYS 24 3.002 -0.779 -0.335
156 H LYS 25 HN LYS 25 3.467 -4.230 1.239
157 HA LYS 25 HA LYS 25 6.268 -3.622 0.927
158 HB2 LYS 25 2HB LYS 25 5.021 -5.727 2.689
159 HB3 LYS 25 1HB LYS 25 6.691 -5.221 2.743
160 HG2 LYS 25 2HG LYS 25 5.686 -2.900 3.352
161 HG3 LYS 25 1HG LYS 25 4.240 -3.842 3.754
162 HD2 LYS 25 2HD LYS 25 5.808 -5.376 5.071
163 HD3 LYS 25 1HD LYS 25 7.015 -4.116 4.895
164 HE2 LYS 25 2HE LYS 25 4.399 -4.006 6.382
165 HE3 LYS 25 1HE LYS 25 6.023 -3.850 7.036
166 HZ1 LYS 25 1HZ LYS 25 5.129 -1.712 6.976
167 HZ2 LYS 25 2HZ LYS 25 4.420 -1.968 5.507
168 HZ3 LYS 25 3HZ LYS 25 6.118 -1.728 5.590
169 H ASN 26 HN ASN 26 4.362 -6.584 0.575
170 HA ASN 26 HA ASN 26 6.707 -8.111 -0.139
171 HB2 ASN 26 2HB ASN 26 3.826 -8.856 0.313
172 HB3 ASN 26 1HB ASN 26 5.014 -10.013 -0.274
173 HD21 ASN 26 1HD2 ASN 26 3.437 -9.723 2.365
174 HD22 ASN 26 2HD2 ASN 26 4.681 -9.836 3.530
175 H LYS 27 HN LYS 27 3.840 -6.926 -1.790
176 HA LYS 27 HA LYS 27 4.628 -8.404 -4.149
177 HB2 LYS 27 2HB LYS 27 2.166 -6.810 -3.472
178 HB3 LYS 27 1HB LYS 27 2.496 -7.292 -5.121
179 HG2 LYS 27 2HG LYS 27 0.900 -8.802 -4.026
180 HG3 LYS 27 1HG LYS 27 2.364 -9.649 -4.490
181 HD2 LYS 27 2HD LYS 27 3.142 -9.611 -2.190
182 HD3 LYS 27 1HD LYS 27 1.746 -8.661 -1.695
183 HE2 LYS 27 2HE LYS 27 0.260 -10.492 -2.299
184 HE3 LYS 27 1HE LYS 27 1.629 -11.427 -2.895
185 HZ1 LYS 27 1HZ LYS 27 2.503 -11.541 -0.667
186 HZ2 LYS 27 2HZ LYS 27 0.928 -12.106 -0.658
187 HZ3 LYS 27 3HZ LYS 27 1.265 -10.577 -0.049
188 H GLU 28 HN GLU 28 4.015 -5.036 -3.257
189 HA GLU 28 HA GLU 28 5.114 -4.088 -5.756
190 HB2 GLU 28 2HB GLU 28 4.079 -2.603 -3.354
191 HB3 GLU 28 1HB GLU 28 4.593 -1.843 -4.848
192 HG2 GLU 28 2HG GLU 28 2.372 -3.860 -4.633
193 HG3 GLU 28 1HG GLU 28 2.149 -2.110 -4.689
194 H HIS 29 HN HIS 29 6.373 -4.865 -2.753
195 HA HIS 29 HA HIS 29 8.383 -4.733 -1.792
196 HB2 HIS 29 2HB HIS 29 9.206 -4.049 -4.600
197 HB3 HIS 29 1HB HIS 29 10.384 -4.101 -3.292
198 HD1 HIS 29 1HD HIS 29 11.375 -6.349 -2.816
199 HD2 HIS 29 2HD HIS 29 7.829 -6.595 -4.961
200 HE1 HIS 29 1HE HIS 29 11.087 -8.782 -3.396
201 H LEU 30 HN LEU 30 6.671 -2.493 -1.638
202 HA LEU 30 HA LEU 30 8.561 -0.289 -1.458
203 HB2 LEU 30 2HB LEU 30 5.553 -0.306 -1.254
204 HB3 LEU 30 1HB LEU 30 6.555 1.125 -1.105
205 HG LEU 30 HG LEU 30 6.181 -0.576 -3.565
206 HD11 LEU 30 1HD1 LEU 30 5.252 1.481 -4.516
207 HD12 LEU 30 2HD1 LEU 30 5.385 2.253 -2.935
208 HD13 LEU 30 3HD1 LEU 30 4.322 0.863 -3.157
209 HD21 LEU 30 1HD2 LEU 30 7.996 1.803 -3.143
210 HD22 LEU 30 2HD2 LEU 30 7.588 1.101 -4.700
211 HD23 LEU 30 3HD2 LEU 30 8.483 0.146 -3.521
212 H ARG 31 HN ARG 31 7.561 1.198 0.521
213 HA ARG 31 HA ARG 31 8.730 -0.145 2.726
214 HB2 ARG 31 2HB ARG 31 9.186 2.185 2.404
215 HB3 ARG 31 1HB ARG 31 7.476 2.573 2.446
216 HG2 ARG 31 2HG ARG 31 7.372 2.011 4.793
217 HG3 ARG 31 1HG ARG 31 9.068 1.519 4.774
218 HD2 ARG 31 2HD ARG 31 9.762 3.762 4.253
219 HD3 ARG 31 1HD ARG 31 8.090 4.274 4.057
220 HE ARG 31 HE ARG 31 8.049 3.406 6.531
221 HH11 ARG 31 1HH1 ARG 31 10.595 5.429 5.023
222 HH12 ARG 31 2HH1 ARG 31 10.777 6.404 6.398
223 HH21 ARG 31 1HH2 ARG 31 8.352 4.808 8.384
224 HH22 ARG 31 2HH2 ARG 31 9.492 6.061 8.326
225 H SER 32 HN SER 32 5.424 1.168 2.226
226 HA SER 32 HA SER 32 4.361 -0.893 3.934
227 HB2 SER 32 2HB SER 32 5.230 0.889 5.513
228 HB3 SER 32 1HB SER 32 4.109 2.019 4.768
229 HG SER 32 HG SER 32 2.990 -0.366 5.708
230 H GLY 33 HN GLY 33 1.893 -0.509 4.102
231 HA2 GLY 33 2HA GLY 33 0.933 1.009 1.778
232 HA3 GLY 33 1HA GLY 33 0.335 -0.611 2.100
233 H ARG 34 HN ARG 34 -0.973 2.096 2.020
234 HA ARG 34 HA ARG 34 -2.281 1.907 4.620
235 HB2 ARG 34 2HB ARG 34 -1.472 4.419 3.159
236 HB3 ARG 34 1HB ARG 34 -2.545 4.378 4.547
237 HG2 ARG 34 2HG ARG 34 0.336 3.510 4.511
238 HG3 ARG 34 1HG ARG 34 -0.291 5.019 5.179
239 HD2 ARG 34 2HD ARG 34 -1.659 3.721 6.760
240 HD3 ARG 34 1HD ARG 34 -0.988 2.233 6.103
241 HE ARG 34 HE ARG 34 0.592 4.286 7.456
242 HH11 ARG 34 1HH1 ARG 34 0.031 0.877 6.637
243 HH12 ARG 34 2HH1 ARG 34 1.048 0.259 7.847
244 HH21 ARG 34 1HH2 ARG 34 2.035 3.443 9.104
245 HH22 ARG 34 2HH2 ARG 34 2.232 1.762 9.286
246 H CYS 35 HN CYS 35 -4.414 2.430 4.626
247 HA CYS 35 HA CYS 35 -5.726 2.433 2.006
248 HB2 CYS 35 2HB CYS 35 -6.872 1.666 4.700
249 HB3 CYS 35 1HB CYS 35 -7.575 1.380 3.106
250 H ARG 36 HN ARG 36 -6.562 4.273 1.496
251 HA ARG 36 HA ARG 36 -6.812 6.275 3.590
252 HB2 ARG 36 2HB ARG 36 -6.599 6.539 0.617
253 HB3 ARG 36 1HB ARG 36 -6.816 7.921 1.712
254 HG2 ARG 36 2HG ARG 36 -4.487 6.000 1.683
255 HG3 ARG 36 1HG ARG 36 -4.470 7.635 1.027
256 HD2 ARG 36 2HD ARG 36 -4.843 8.555 3.242
257 HD3 ARG 36 1HD ARG 36 -4.990 6.936 3.921
258 HE ARG 36 HE ARG 36 -2.511 7.475 2.551
259 HH11 ARG 36 1HH1 ARG 36 -4.214 7.590 5.661
260 HH12 ARG 36 2HH1 ARG 36 -2.817 7.437 6.604
261 HH21 ARG 36 1HH2 ARG 36 -0.601 7.265 3.824
262 HH22 ARG 36 2HH2 ARG 36 -0.675 7.281 5.532
263 H ASP 37 HN ASP 37 -8.530 8.058 2.744
264 HA ASP 37 HA ASP 37 -10.983 6.981 3.580
265 HB2 ASP 37 2HB ASP 37 -11.911 9.177 3.326
266 HB3 ASP 37 1HB ASP 37 -10.278 9.325 3.949
267 H ASP 38 HN ASP 38 -9.712 7.067 0.468
268 HA ASP 38 HA ASP 38 -12.330 6.818 -0.797
269 HB2 ASP 38 2HB ASP 38 -9.540 6.737 -1.959
270 HB3 ASP 38 1HB ASP 38 -10.982 6.420 -2.915
271 H PHE 39 HN PHE 39 -10.515 4.889 0.999
272 HA PHE 39 HA PHE 39 -10.355 2.745 1.470
273 HB2 PHE 39 2HB PHE 39 -12.841 2.571 -0.220
274 HB3 PHE 39 1HB PHE 39 -12.174 1.173 0.622
275 HD1 PHE 39 1HD PHE 39 -13.885 4.364 0.990
276 HD2 PHE 39 2HD PHE 39 -12.189 1.058 3.041
277 HE1 PHE 39 1HE PHE 39 -15.011 5.069 3.054
278 HE2 PHE 39 2HE PHE 39 -13.311 1.758 5.111
279 HZ PHE 39 HZ PHE 39 -14.726 3.765 5.120
280 H ARG 40 HN ARG 40 -9.187 3.824 -1.031
281 HA ARG 40 HA ARG 40 -8.629 1.307 -2.409
282 HB2 ARG 40 2HB ARG 40 -9.287 3.560 -3.574
283 HB3 ARG 40 1HB ARG 40 -7.630 4.030 -3.232
284 HG2 ARG 40 2HG ARG 40 -7.795 3.221 -5.484
285 HG3 ARG 40 1HG ARG 40 -6.844 2.086 -4.523
286 HD2 ARG 40 2HD ARG 40 -8.451 0.940 -5.994
287 HD3 ARG 40 1HD ARG 40 -8.787 0.615 -4.299
288 HE ARG 40 HE ARG 40 -10.202 2.826 -5.516
289 HH11 ARG 40 1HH1 ARG 40 -10.341 -0.627 -4.743
290 HH12 ARG 40 2HH1 ARG 40 -12.041 -0.663 -4.653
291 HH21 ARG 40 1HH2 ARG 40 -12.579 2.738 -5.354
292 HH22 ARG 40 2HH2 ARG 40 -13.310 1.245 -4.988
293 H CYS 41 HN CYS 41 -6.202 0.966 -2.919
294 HA CYS 41 HA CYS 41 -4.819 1.462 -0.454
295 HB2 CYS 41 2HB CYS 41 -4.444 -0.529 -2.636
296 HB3 CYS 41 1HB CYS 41 -3.130 -0.157 -1.519
297 H TRP 42 HN TRP 42 -3.291 2.710 -0.134
298 HA TRP 42 HA TRP 42 -1.868 3.961 -2.356
299 HB2 TRP 42 2HB TRP 42 -3.163 5.004 0.068
300 HB3 TRP 42 1HB TRP 42 -1.552 5.628 -0.205
301 HD1 TRP 42 1HD TRP 42 -1.227 7.246 -2.310
302 HE1 TRP 42 1HE TRP 42 -2.875 8.626 -3.686
303 HE3 TRP 42 3HE TRP 42 -5.568 4.944 -0.931
304 HZ2 TRP 42 2HZ TRP 42 -5.653 8.755 -4.133
305 HZ3 TRP 42 3HZ TRP 42 -7.683 5.772 -1.871
306 HH2 TRP 42 2HH TRP 42 -7.721 7.639 -3.446
307 H CYS 43 HN CYS 43 0.178 3.287 -2.374
308 HA CYS 43 HA CYS 43 1.210 1.941 -0.018
309 HB2 CYS 43 2HB CYS 43 2.304 2.070 -2.828
310 HB3 CYS 43 1HB CYS 43 2.980 1.122 -1.509
311 H THR 44 HN THR 44 2.829 2.643 1.159
312 HA THR 44 HA THR 44 3.859 5.331 0.748
313 HB THR 44 HB THR 44 4.233 3.388 3.032
314 HG1 THR 44 1HG THR 44 2.117 5.036 2.364
315 HG21 THR 44 1HG2 THR 44 4.694 6.367 2.815
316 HG22 THR 44 2HG2 THR 44 5.929 5.123 2.981
317 HG23 THR 44 3HG2 THR 44 4.821 5.444 4.311
318 H LYS 45 HN LYS 45 5.930 5.602 0.019
319 HA LYS 45 HA LYS 45 7.849 3.454 0.428
320 HB2 LYS 45 2HB LYS 45 8.736 3.832 -1.871
321 HB3 LYS 45 1HB LYS 45 7.121 3.139 -1.838
322 HG2 LYS 45 2HG LYS 45 6.147 5.273 -2.371
323 HG3 LYS 45 1HG LYS 45 7.730 6.045 -2.289
324 HD2 LYS 45 2HD LYS 45 8.490 4.653 -4.160
325 HD3 LYS 45 1HD LYS 45 6.892 3.910 -4.243
326 HE2 LYS 45 2HE LYS 45 5.886 6.034 -4.768
327 HE3 LYS 45 1HE LYS 45 7.428 6.856 -4.555
328 HZ1 LYS 45 1HZ LYS 45 6.821 4.831 -6.639
329 HZ2 LYS 45 2HZ LYS 45 8.302 5.601 -6.406
330 HZ3 LYS 45 3HZ LYS 45 6.968 6.495 -6.875
331 H ASN 46 HN ASN 46 10.106 4.298 0.012
332 HA ASN 46 HA ASN 46 10.315 6.890 1.319
333 HB2 ASN 46 2HB ASN 46 12.495 4.942 0.519
334 HB3 ASN 46 1HB ASN 46 12.740 6.415 1.443
335 HD21 ASN 46 1HD2 ASN 46 11.614 3.166 1.498
336 HD22 ASN 46 2HD2 ASN 46 11.445 3.028 3.195
337 H CYS 47 HN CYS 47 10.835 8.673 0.280
338 HA CYS 47 HA CYS 47 11.524 8.397 -2.539
339 HB2 CYS 47 2HB CYS 47 9.468 10.295 -1.385
340 HB3 CYS 47 1HB CYS 47 9.836 10.045 -3.097
Start of MODEL 15
1 H1 LYS 1 1HT LYS 1 11.960 10.584 3.774
2 H2 LYS 1 2HT LYS 1 11.849 12.278 3.816
3 H3 LYS 1 3HT LYS 1 11.593 11.413 2.373
4 HA LYS 1 HA LYS 1 9.929 11.094 4.780
5 HB2 LYS 1 2HB LYS 1 8.199 12.352 3.645
6 HB3 LYS 1 1HB LYS 1 9.637 13.353 3.741
7 HG2 LYS 1 2HG LYS 1 10.129 12.971 1.408
8 HG3 LYS 1 1HG LYS 1 8.823 11.797 1.290
9 HD2 LYS 1 2HD LYS 1 8.473 14.733 1.908
10 HD3 LYS 1 1HD LYS 1 8.229 13.997 0.325
11 HE2 LYS 1 2HE LYS 1 6.434 12.582 1.299
12 HE3 LYS 1 1HE LYS 1 6.667 13.386 2.846
13 HZ1 LYS 1 1HZ LYS 1 5.995 15.485 1.803
14 HZ2 LYS 1 2HZ LYS 1 4.801 14.318 1.624
15 HZ3 LYS 1 3HZ LYS 1 5.784 14.700 0.335
16 H THR 2 HN THR 2 7.665 10.396 3.554
17 HA THR 2 HA THR 2 8.417 8.336 1.670
18 HB THR 2 HB THR 2 6.360 7.178 2.735
19 HG1 THR 2 1HG THR 2 7.087 8.234 5.145
20 HG21 THR 2 1HG2 THR 2 8.630 6.277 2.865
21 HG22 THR 2 2HG2 THR 2 7.823 6.095 4.421
22 HG23 THR 2 3HG2 THR 2 9.010 7.378 4.187
23 H CYS 3 HN CYS 3 6.882 7.964 0.071
24 HA CYS 3 HA CYS 3 4.961 10.156 -0.247
25 HB2 CYS 3 2HB CYS 3 6.343 8.555 -2.400
26 HB3 CYS 3 1HB CYS 3 5.283 9.947 -2.625
27 H GLU 4 HN GLU 4 2.912 9.627 -0.608
28 HA GLU 4 HA GLU 4 2.184 6.822 -0.408
29 HB2 GLU 4 2HB GLU 4 1.389 8.585 1.167
30 HB3 GLU 4 1HB GLU 4 0.585 9.353 -0.182
31 HG2 GLU 4 2HG GLU 4 -0.890 7.515 -0.424
32 HG3 GLU 4 1HG GLU 4 -0.014 6.602 0.818
33 H ASN 5 HN ASN 5 1.722 5.800 -2.276
34 HA ASN 5 HA ASN 5 0.446 7.274 -4.487
35 HB2 ASN 5 2HB ASN 5 2.864 7.155 -4.964
36 HB3 ASN 5 1HB ASN 5 2.825 5.412 -4.752
37 HD21 ASN 5 1HD2 ASN 5 2.045 4.130 -6.426
38 HD22 ASN 5 2HD2 ASN 5 1.669 4.784 -7.975
39 H LEU 6 HN LEU 6 -0.998 6.041 -5.728
40 HA LEU 6 HA LEU 6 -2.317 3.964 -4.438
41 HB2 LEU 6 2HB LEU 6 -2.487 5.118 -7.161
42 HB3 LEU 6 1HB LEU 6 -3.318 3.621 -6.822
43 HG LEU 6 HG LEU 6 -3.770 6.155 -5.238
44 HD11 LEU 6 1HD1 LEU 6 -4.466 6.433 -7.580
45 HD12 LEU 6 2HD1 LEU 6 -5.844 6.276 -6.464
46 HD13 LEU 6 3HD1 LEU 6 -5.354 4.903 -7.455
47 HD21 LEU 6 1HD2 LEU 6 -5.266 3.559 -5.447
48 HD22 LEU 6 2HD2 LEU 6 -5.767 4.977 -4.530
49 HD23 LEU 6 3HD2 LEU 6 -4.316 4.099 -4.062
50 H ALA 7 HN ALA 7 -2.364 1.900 -4.514
51 HA ALA 7 HA ALA 7 -0.401 0.400 -6.031
52 HB1 ALA 7 1HB ALA 7 -0.845 -0.247 -3.705
53 HB2 ALA 7 2HB ALA 7 -1.372 -1.532 -4.801
54 HB3 ALA 7 3HB ALA 7 -2.556 -0.434 -4.086
55 H ASP 8 HN ASP 8 -0.972 0.232 -8.085
56 HA ASP 8 HA ASP 8 -3.722 0.398 -8.927
57 HB2 ASP 8 2HB ASP 8 -1.831 1.459 -10.166
58 HB3 ASP 8 1HB ASP 8 -1.266 -0.154 -10.593
59 H THR 9 HN THR 9 -1.307 -2.025 -8.527
60 HA THR 9 HA THR 9 -2.697 -4.032 -10.012
61 HB THR 9 HB THR 9 -0.239 -4.039 -9.822
62 HG1 THR 9 1HG THR 9 -1.773 -6.235 -8.998
63 HG21 THR 9 1HG2 THR 9 -0.736 -4.758 -6.942
64 HG22 THR 9 2HG2 THR 9 -0.069 -3.236 -7.518
65 HG23 THR 9 3HG2 THR 9 0.836 -4.737 -7.741
66 H TYR 10 HN TYR 10 -3.199 -2.734 -6.968
67 HA TYR 10 HA TYR 10 -4.173 -5.136 -5.717
68 HB2 TYR 10 2HB TYR 10 -3.210 -3.258 -4.370
69 HB3 TYR 10 1HB TYR 10 -4.515 -2.220 -4.923
70 HD1 TYR 10 1HD TYR 10 -6.840 -2.637 -4.133
71 HD2 TYR 10 2HD TYR 10 -3.540 -4.841 -2.607
72 HE1 TYR 10 1HE TYR 10 -8.213 -3.358 -2.255
73 HE2 TYR 10 2HE TYR 10 -4.886 -5.570 -0.707
74 HH TYR 10 HH TYR 10 -8.338 -5.026 -0.686
75 H LYS 11 HN LYS 11 -6.030 -5.957 -6.381
76 HA LYS 11 HA LYS 11 -7.863 -4.170 -7.753
77 HB2 LYS 11 2HB LYS 11 -8.944 -6.208 -8.641
78 HB3 LYS 11 1HB LYS 11 -7.256 -6.067 -9.090
79 HG2 LYS 11 2HG LYS 11 -6.668 -7.714 -7.376
80 HG3 LYS 11 1HG LYS 11 -8.370 -7.849 -6.928
81 HD2 LYS 11 2HD LYS 11 -8.903 -8.602 -9.189
82 HD3 LYS 11 1HD LYS 11 -7.207 -8.465 -9.642
83 HE2 LYS 11 2HE LYS 11 -6.637 -10.156 -7.947
84 HE3 LYS 11 1HE LYS 11 -8.340 -10.309 -7.533
85 HZ1 LYS 11 1HZ LYS 11 -7.662 -12.050 -9.033
86 HZ2 LYS 11 2HZ LYS 11 -7.119 -10.925 -10.160
87 HZ3 LYS 11 3HZ LYS 11 -8.767 -11.043 -9.814
88 H GLY 12 HN GLY 12 -9.832 -3.747 -7.083
89 HA2 GLY 12 2HA GLY 12 -11.822 -4.180 -5.883
90 HA3 GLY 12 1HA GLY 12 -10.917 -5.262 -4.833
91 HA PRO 13 HA PRO 13 -11.128 -1.197 -2.644
92 HB2 PRO 13 2HB PRO 13 -12.825 -2.275 -0.635
93 HB3 PRO 13 1HB PRO 13 -13.269 -1.097 -1.864
94 HG2 PRO 13 2HG PRO 13 -14.244 -3.702 -1.698
95 HG3 PRO 13 1HG PRO 13 -14.311 -2.677 -3.138
96 HD2 PRO 13 2HD PRO 13 -12.398 -4.860 -2.446
97 HD3 PRO 13 1HD PRO 13 -13.072 -4.407 -4.026
98 H CYS 14 HN CYS 14 -10.362 -0.795 -0.452
99 HA CYS 14 HA CYS 14 -8.499 -2.772 0.428
100 HB2 CYS 14 2HB CYS 14 -7.833 -0.476 0.626
101 HB3 CYS 14 1HB CYS 14 -9.280 -0.085 1.554
102 H PHE 15 HN PHE 15 -9.234 -4.460 1.434
103 HA PHE 15 HA PHE 15 -11.609 -4.426 3.039
104 HB2 PHE 15 2HB PHE 15 -9.500 -6.586 2.842
105 HB3 PHE 15 1HB PHE 15 -11.159 -6.777 3.406
106 HD1 PHE 15 1HD PHE 15 -13.013 -6.134 1.703
107 HD2 PHE 15 2HD PHE 15 -8.999 -7.033 0.647
108 HE1 PHE 15 1HE PHE 15 -13.726 -6.590 -0.595
109 HE2 PHE 15 2HE PHE 15 -9.700 -7.495 -1.651
110 HZ PHE 15 HZ PHE 15 -12.068 -7.270 -2.283
111 H THR 16 HN THR 16 -8.174 -4.923 3.655
112 HA THR 16 HA THR 16 -8.433 -3.491 6.126
113 HB THR 16 HB THR 16 -8.478 -5.721 7.013
114 HG1 THR 16 1HG THR 16 -6.749 -5.583 8.284
115 HG21 THR 16 1HG2 THR 16 -6.829 -7.425 6.362
116 HG22 THR 16 2HG2 THR 16 -6.199 -6.263 5.171
117 HG23 THR 16 3HG2 THR 16 -7.832 -6.898 4.995
118 H THR 17 HN THR 17 -6.605 -2.338 6.603
119 HA THR 17 HA THR 17 -4.942 -1.867 4.376
120 HB THR 17 HB THR 17 -5.779 -0.150 5.945
121 HG1 THR 17 1HG THR 17 -2.961 -0.332 5.422
122 HG21 THR 17 1HG2 THR 17 -5.338 -1.239 8.072
123 HG22 THR 17 2HG2 THR 17 -4.502 0.311 8.024
124 HG23 THR 17 3HG2 THR 17 -3.602 -1.187 7.771
125 H GLY 18 HN GLY 18 -4.816 -4.065 6.964
126 HA2 GLY 18 2HA GLY 18 -1.993 -4.309 7.222
127 HA3 GLY 18 1HA GLY 18 -3.192 -5.523 7.678
128 H SER 19 HN SER 19 -4.419 -6.077 5.390
129 HA SER 19 HA SER 19 -2.710 -7.780 3.948
130 HB2 SER 19 2HB SER 19 -5.176 -8.061 4.069
131 HB3 SER 19 1HB SER 19 -5.378 -6.601 3.111
132 HG SER 19 HG SER 19 -4.715 -9.146 2.382
133 H CYS 20 HN CYS 20 -3.987 -4.580 3.293
134 HA CYS 20 HA CYS 20 -2.941 -4.168 0.742
135 HB2 CYS 20 2HB CYS 20 -4.695 -2.819 1.846
136 HB3 CYS 20 1HB CYS 20 -3.476 -2.186 2.941
137 H ASP 21 HN ASP 21 -1.640 -3.445 3.966
138 HA ASP 21 HA ASP 21 0.742 -2.214 3.216
139 HB2 ASP 21 2HB ASP 21 -0.045 -2.094 5.468
140 HB3 ASP 21 1HB ASP 21 0.025 -3.838 5.658
141 H ASP 22 HN ASP 22 -0.024 -5.584 3.773
142 HA ASP 22 HA ASP 22 2.604 -6.627 3.417
143 HB2 ASP 22 2HB ASP 22 0.712 -7.858 4.491
144 HB3 ASP 22 1HB ASP 22 -0.042 -7.992 2.913
145 H HIS 23 HN HIS 23 -0.130 -6.111 1.249
146 HA HIS 23 HA HIS 23 0.948 -7.164 -1.087
147 HB2 HIS 23 2HB HIS 23 -1.441 -6.520 -0.727
148 HB3 HIS 23 1HB HIS 23 -0.966 -4.834 -0.744
149 HD1 HIS 23 1HD HIS 23 -1.888 -7.649 -2.978
150 HD2 HIS 23 2HD HIS 23 -0.208 -3.865 -3.297
151 HE1 HIS 23 1HE HIS 23 -2.070 -7.019 -5.399
152 H CYS 24 HN CYS 24 1.035 -3.841 0.192
153 HA CYS 24 HA CYS 24 2.607 -2.796 -1.872
154 HB2 CYS 24 2HB CYS 24 2.355 -1.851 0.984
155 HB3 CYS 24 1HB CYS 24 3.089 -0.926 -0.319
156 H LYS 25 HN LYS 25 3.589 -4.246 1.219
157 HA LYS 25 HA LYS 25 6.365 -3.718 0.938
158 HB2 LYS 25 2HB LYS 25 4.844 -5.728 2.556
159 HB3 LYS 25 1HB LYS 25 6.594 -5.717 2.527
160 HG2 LYS 25 2HG LYS 25 6.591 -3.447 3.423
161 HG3 LYS 25 1HG LYS 25 4.821 -3.465 3.441
162 HD2 LYS 25 2HD LYS 25 4.772 -5.235 5.037
163 HD3 LYS 25 1HD LYS 25 6.503 -5.512 4.862
164 HE2 LYS 25 2HE LYS 25 5.926 -4.335 6.950
165 HE3 LYS 25 1HE LYS 25 6.991 -3.398 5.906
166 HZ1 LYS 25 1HZ LYS 25 4.043 -3.028 6.078
167 HZ2 LYS 25 2HZ LYS 25 5.162 -2.093 5.212
168 HZ3 LYS 25 3HZ LYS 25 5.191 -2.091 6.887
169 H ASN 26 HN ASN 26 4.422 -6.512 0.089
170 HA ASN 26 HA ASN 26 6.788 -7.919 -0.809
171 HB2 ASN 26 2HB ASN 26 3.949 -8.780 -0.395
172 HB3 ASN 26 1HB ASN 26 5.181 -9.837 -1.093
173 HD21 ASN 26 1HD2 ASN 26 3.648 -9.789 1.583
174 HD22 ASN 26 2HD2 ASN 26 4.912 -9.980 2.721
175 H LYS 27 HN LYS 27 3.608 -7.213 -2.237
176 HA LYS 27 HA LYS 27 4.292 -8.180 -4.801
177 HB2 LYS 27 2HB LYS 27 1.989 -8.137 -4.175
178 HB3 LYS 27 1HB LYS 27 2.056 -6.431 -3.782
179 HG2 LYS 27 2HG LYS 27 0.841 -6.724 -5.823
180 HG3 LYS 27 1HG LYS 27 2.372 -5.929 -6.176
181 HD2 LYS 27 2HD LYS 27 3.295 -8.117 -6.864
182 HD3 LYS 27 1HD LYS 27 1.700 -8.834 -6.604
183 HE2 LYS 27 2HE LYS 27 1.923 -8.340 -8.938
184 HE3 LYS 27 1HE LYS 27 0.774 -7.206 -8.239
185 HZ1 LYS 27 1HZ LYS 27 2.251 -6.014 -9.676
186 HZ2 LYS 27 2HZ LYS 27 3.599 -6.673 -8.956
187 HZ3 LYS 27 3HZ LYS 27 2.673 -5.554 -8.106
188 H GLU 28 HN GLU 28 4.027 -4.880 -3.537
189 HA GLU 28 HA GLU 28 5.162 -3.924 -6.037
190 HB2 GLU 28 2HB GLU 28 4.013 -2.423 -3.703
191 HB3 GLU 28 1HB GLU 28 4.649 -1.658 -5.152
192 HG2 GLU 28 2HG GLU 28 2.310 -3.550 -4.987
193 HG3 GLU 28 1HG GLU 28 2.246 -1.817 -5.314
194 H HIS 29 HN HIS 29 6.196 -4.780 -3.054
195 HA HIS 29 HA HIS 29 7.969 -4.498 -1.759
196 HB2 HIS 29 2HB HIS 29 9.050 -5.640 -3.713
197 HB3 HIS 29 1HB HIS 29 9.519 -4.058 -4.325
198 HD1 HIS 29 1HD HIS 29 11.823 -3.293 -3.592
199 HD2 HIS 29 2HD HIS 29 10.179 -6.121 -1.034
200 HE1 HIS 29 1HE HIS 29 13.597 -3.789 -1.891
201 H LEU 30 HN LEU 30 6.769 -2.583 -1.206
202 HA LEU 30 HA LEU 30 8.544 -0.260 -1.360
203 HB2 LEU 30 2HB LEU 30 5.534 -0.316 -1.057
204 HB3 LEU 30 1HB LEU 30 6.521 1.132 -1.006
205 HG LEU 30 HG LEU 30 6.189 -0.677 -3.403
206 HD11 LEU 30 1HD1 LEU 30 4.187 0.573 -2.949
207 HD12 LEU 30 2HD1 LEU 30 4.995 1.194 -4.384
208 HD13 LEU 30 3HD1 LEU 30 5.111 2.073 -2.856
209 HD21 LEU 30 1HD2 LEU 30 7.373 1.093 -4.614
210 HD22 LEU 30 2HD2 LEU 30 8.382 0.328 -3.394
211 HD23 LEU 30 3HD2 LEU 30 7.684 1.921 -3.088
212 H ARG 31 HN ARG 31 7.582 1.212 0.697
213 HA ARG 31 HA ARG 31 8.785 -0.139 2.883
214 HB2 ARG 31 2HB ARG 31 8.895 2.323 2.511
215 HB3 ARG 31 1HB ARG 31 7.193 2.425 2.946
216 HG2 ARG 31 2HG ARG 31 7.759 1.448 5.154
217 HG3 ARG 31 1HG ARG 31 9.459 1.528 4.702
218 HD2 ARG 31 2HD ARG 31 9.120 4.003 4.340
219 HD3 ARG 31 1HD ARG 31 7.541 3.809 5.111
220 HE ARG 31 HE ARG 31 9.726 2.695 6.552
221 HH11 ARG 31 1HH1 ARG 31 7.687 5.604 6.264
222 HH12 ARG 31 2HH1 ARG 31 8.269 6.297 7.683
223 HH21 ARG 31 1HH2 ARG 31 10.498 3.669 8.489
224 HH22 ARG 31 2HH2 ARG 31 9.908 5.187 8.975
225 H SER 32 HN SER 32 5.477 1.066 2.414
226 HA SER 32 HA SER 32 4.373 -1.085 3.908
227 HB2 SER 32 2HB SER 32 3.337 0.558 5.601
228 HB3 SER 32 1HB SER 32 5.029 0.125 5.832
229 HG SER 32 HG SER 32 4.626 2.354 6.038
230 H GLY 33 HN GLY 33 1.897 -0.338 4.349
231 HA2 GLY 33 2HA GLY 33 0.986 1.300 2.116
232 HA3 GLY 33 1HA GLY 33 0.402 -0.358 2.204
233 H ARG 34 HN ARG 34 -0.795 2.446 2.555
234 HA ARG 34 HA ARG 34 -2.364 1.722 4.879
235 HB2 ARG 34 2HB ARG 34 -1.117 4.456 4.494
236 HB3 ARG 34 1HB ARG 34 -2.467 4.158 5.571
237 HG2 ARG 34 2HG ARG 34 -1.008 2.527 6.801
238 HG3 ARG 34 1HG ARG 34 0.335 3.074 5.798
239 HD2 ARG 34 2HD ARG 34 0.345 4.245 7.946
240 HD3 ARG 34 1HD ARG 34 -0.003 5.377 6.638
241 HE ARG 34 HE ARG 34 -2.450 4.644 7.419
242 HH11 ARG 34 1HH1 ARG 34 0.293 5.824 9.401
243 HH12 ARG 34 2HH1 ARG 34 -0.738 6.544 10.555
244 HH21 ARG 34 1HH2 ARG 34 -3.775 5.633 9.039
245 HH22 ARG 34 2HH2 ARG 34 -3.052 6.435 10.362
246 H CYS 35 HN CYS 35 -4.335 1.631 4.312
247 HA CYS 35 HA CYS 35 -5.309 2.670 1.842
248 HB2 CYS 35 2HB CYS 35 -6.834 1.595 4.208
249 HB3 CYS 35 1HB CYS 35 -7.446 1.788 2.564
250 H ARG 36 HN ARG 36 -6.573 4.352 1.439
251 HA ARG 36 HA ARG 36 -6.697 6.336 3.568
252 HB2 ARG 36 2HB ARG 36 -6.641 6.687 0.590
253 HB3 ARG 36 1HB ARG 36 -6.757 8.020 1.747
254 HG2 ARG 36 2HG ARG 36 -4.446 6.132 1.308
255 HG3 ARG 36 1HG ARG 36 -4.503 7.848 0.922
256 HD2 ARG 36 2HD ARG 36 -4.512 6.581 3.662
257 HD3 ARG 36 1HD ARG 36 -3.217 7.519 2.929
258 HE ARG 36 HE ARG 36 -5.840 8.626 3.645
259 HH11 ARG 36 1HH1 ARG 36 -2.352 9.031 3.347
260 HH12 ARG 36 2HH1 ARG 36 -2.312 10.508 4.195
261 HH21 ARG 36 1HH2 ARG 36 -5.803 10.643 4.773
262 HH22 ARG 36 2HH2 ARG 36 -4.321 11.473 4.965
263 H ASP 37 HN ASP 37 -8.514 8.085 2.754
264 HA ASP 37 HA ASP 37 -10.923 6.978 3.585
265 HB2 ASP 37 2HB ASP 37 -10.482 9.596 2.149
266 HB3 ASP 37 1HB ASP 37 -11.987 9.128 2.921
267 H ASP 38 HN ASP 38 -9.676 7.382 0.412
268 HA ASP 38 HA ASP 38 -12.121 7.029 -1.011
269 HB2 ASP 38 2HB ASP 38 -9.259 6.681 -1.902
270 HB3 ASP 38 1HB ASP 38 -10.617 6.417 -2.981
271 H PHE 39 HN PHE 39 -10.493 4.893 0.883
272 HA PHE 39 HA PHE 39 -10.607 2.693 1.295
273 HB2 PHE 39 2HB PHE 39 -12.916 2.759 -0.656
274 HB3 PHE 39 1HB PHE 39 -12.452 1.320 0.240
275 HD1 PHE 39 1HD PHE 39 -14.200 4.469 0.332
276 HD2 PHE 39 2HD PHE 39 -12.645 1.314 2.718
277 HE1 PHE 39 1HE PHE 39 -15.621 5.189 2.199
278 HE2 PHE 39 2HE PHE 39 -14.059 2.027 4.597
279 HZ PHE 39 HZ PHE 39 -15.554 3.969 4.340
280 H ARG 40 HN ARG 40 -9.177 3.826 -1.106
281 HA ARG 40 HA ARG 40 -8.711 1.268 -2.466
282 HB2 ARG 40 2HB ARG 40 -9.297 3.466 -3.752
283 HB3 ARG 40 1HB ARG 40 -7.651 3.944 -3.382
284 HG2 ARG 40 2HG ARG 40 -7.699 3.046 -5.597
285 HG3 ARG 40 1HG ARG 40 -6.854 1.899 -4.561
286 HD2 ARG 40 2HD ARG 40 -8.395 0.746 -6.068
287 HD3 ARG 40 1HD ARG 40 -8.904 0.539 -4.394
288 HE ARG 40 HE ARG 40 -10.159 2.783 -5.588
289 HH11 ARG 40 1HH1 ARG 40 -10.390 -0.784 -5.469
290 HH12 ARG 40 2HH1 ARG 40 -12.032 -0.777 -5.927
291 HH21 ARG 40 1HH2 ARG 40 -12.419 2.688 -6.227
292 HH22 ARG 40 2HH2 ARG 40 -13.197 1.188 -6.355
293 H CYS 41 HN CYS 41 -6.289 0.913 -2.983
294 HA CYS 41 HA CYS 41 -4.902 1.293 -0.499
295 HB2 CYS 41 2HB CYS 41 -4.637 -0.588 -2.751
296 HB3 CYS 41 1HB CYS 41 -3.209 -0.221 -1.780
297 H TRP 42 HN TRP 42 -3.469 2.695 -0.123
298 HA TRP 42 HA TRP 42 -1.868 3.765 -2.308
299 HB2 TRP 42 2HB TRP 42 -2.990 4.972 0.167
300 HB3 TRP 42 1HB TRP 42 -1.394 5.486 -0.344
301 HD1 TRP 42 1HD TRP 42 -1.242 7.155 -2.348
302 HE1 TRP 42 1HE TRP 42 -2.981 8.516 -3.651
303 HE3 TRP 42 3HE TRP 42 -5.480 4.743 -0.855
304 HZ2 TRP 42 2HZ TRP 42 -5.756 8.570 -4.009
305 HZ3 TRP 42 3HZ TRP 42 -7.630 5.515 -1.723
306 HH2 TRP 42 2HH TRP 42 -7.759 7.401 -3.280
307 H CYS 43 HN CYS 43 0.183 3.236 -2.228
308 HA CYS 43 HA CYS 43 1.140 1.821 0.122
309 HB2 CYS 43 2HB CYS 43 2.265 1.998 -2.667
310 HB3 CYS 43 1HB CYS 43 2.953 1.067 -1.341
311 H THR 44 HN THR 44 3.018 2.371 1.096
312 HA THR 44 HA THR 44 3.800 5.154 0.909
313 HB THR 44 HB THR 44 4.473 2.974 2.896
314 HG1 THR 44 1HG THR 44 2.358 4.865 2.797
315 HG21 THR 44 1HG2 THR 44 5.076 4.812 4.382
316 HG22 THR 44 2HG2 THR 44 4.675 5.979 3.123
317 HG23 THR 44 3HG2 THR 44 6.037 4.874 2.908
318 H LYS 45 HN LYS 45 5.505 5.462 -0.498
319 HA LYS 45 HA LYS 45 7.614 3.422 -0.520
320 HB2 LYS 45 2HB LYS 45 8.341 4.334 -2.694
321 HB3 LYS 45 1HB LYS 45 6.668 3.805 -2.752
322 HG2 LYS 45 2HG LYS 45 5.887 6.074 -2.674
323 HG3 LYS 45 1HG LYS 45 7.528 6.664 -2.398
324 HD2 LYS 45 2HD LYS 45 8.202 5.833 -4.593
325 HD3 LYS 45 1HD LYS 45 6.571 5.221 -4.872
326 HE2 LYS 45 2HE LYS 45 5.673 7.455 -4.818
327 HE3 LYS 45 1HE LYS 45 7.240 8.119 -4.366
328 HZ1 LYS 45 1HZ LYS 45 6.632 6.768 -6.945
329 HZ2 LYS 45 2HZ LYS 45 8.106 7.462 -6.514
330 HZ3 LYS 45 3HZ LYS 45 6.756 8.428 -6.729
331 H ASN 46 HN ASN 46 9.787 4.142 -0.414
332 HA ASN 46 HA ASN 46 10.131 6.378 1.340
333 HB2 ASN 46 2HB ASN 46 12.008 4.332 0.221
334 HB3 ASN 46 1HB ASN 46 12.637 5.753 1.041
335 HD21 ASN 46 1HD2 ASN 46 12.291 5.982 3.227
336 HD22 ASN 46 2HD2 ASN 46 11.781 4.682 4.235
337 H CYS 47 HN CYS 47 10.835 8.334 0.975
338 HA CYS 47 HA CYS 47 12.071 8.989 -1.575
339 HB2 CYS 47 2HB CYS 47 9.856 10.582 -0.244
340 HB3 CYS 47 1HB CYS 47 10.701 11.007 -1.724
Start of MODEL 16
1 H1 LYS 1 1HT LYS 1 13.713 11.329 1.051
2 H2 LYS 1 2HT LYS 1 13.173 10.012 0.141
3 H3 LYS 1 3HT LYS 1 13.058 9.953 1.822
4 HA LYS 1 HA LYS 1 11.419 11.739 1.721
5 HB2 LYS 1 2HB LYS 1 12.226 12.815 -0.296
6 HB3 LYS 1 1HB LYS 1 11.965 11.359 -1.230
7 HG2 LYS 1 2HG LYS 1 9.543 11.636 -0.974
8 HG3 LYS 1 1HG LYS 1 9.815 13.108 -0.035
9 HD2 LYS 1 2HD LYS 1 10.919 14.155 -1.914
10 HD3 LYS 1 1HD LYS 1 10.807 12.668 -2.848
11 HE2 LYS 1 2HE LYS 1 9.126 14.260 -3.571
12 HE3 LYS 1 1HE LYS 1 8.372 12.851 -2.847
13 HZ1 LYS 1 1HZ LYS 1 7.398 15.003 -2.204
14 HZ2 LYS 1 2HZ LYS 1 8.794 15.401 -1.339
15 HZ3 LYS 1 3HZ LYS 1 7.865 14.064 -0.909
16 H THR 2 HN THR 2 9.380 10.834 2.091
17 HA THR 2 HA THR 2 8.970 8.260 0.834
18 HB THR 2 HB THR 2 7.167 8.125 2.689
19 HG1 THR 2 1HG THR 2 7.253 9.809 3.992
20 HG21 THR 2 1HG2 THR 2 8.833 7.058 4.199
21 HG22 THR 2 2HG2 THR 2 10.123 7.808 3.258
22 HG23 THR 2 3HG2 THR 2 9.071 6.611 2.509
23 H CYS 3 HN CYS 3 7.394 7.979 -0.504
24 HA CYS 3 HA CYS 3 5.591 10.262 -0.993
25 HB2 CYS 3 2HB CYS 3 6.543 8.229 -3.009
26 HB3 CYS 3 1HB CYS 3 5.732 9.763 -3.323
27 H GLU 4 HN GLU 4 3.553 9.760 -0.486
28 HA GLU 4 HA GLU 4 2.715 6.975 -0.416
29 HB2 GLU 4 2HB GLU 4 2.165 8.653 1.404
30 HB3 GLU 4 1HB GLU 4 1.146 9.473 0.234
31 HG2 GLU 4 2HG GLU 4 -0.252 7.506 0.058
32 HG3 GLU 4 1HG GLU 4 0.787 6.647 1.195
33 H ASN 5 HN ASN 5 1.942 6.094 -2.206
34 HA ASN 5 HA ASN 5 0.544 7.804 -4.140
35 HB2 ASN 5 2HB ASN 5 2.897 7.477 -4.867
36 HB3 ASN 5 1HB ASN 5 2.659 5.737 -4.804
37 HD21 ASN 5 1HD2 ASN 5 0.400 8.185 -6.072
38 HD22 ASN 5 2HD2 ASN 5 0.426 7.578 -7.679
39 H LEU 6 HN LEU 6 -0.993 6.676 -5.408
40 HA LEU 6 HA LEU 6 -2.377 4.617 -4.160
41 HB2 LEU 6 2HB LEU 6 -2.556 5.897 -6.810
42 HB3 LEU 6 1HB LEU 6 -3.369 4.363 -6.587
43 HG LEU 6 HG LEU 6 -3.855 6.834 -4.923
44 HD11 LEU 6 1HD1 LEU 6 -5.498 5.459 -7.015
45 HD12 LEU 6 2HD1 LEU 6 -4.670 7.008 -7.257
46 HD13 LEU 6 3HD1 LEU 6 -5.993 6.860 -6.080
47 HD21 LEU 6 1HD2 LEU 6 -5.751 5.535 -4.122
48 HD22 LEU 6 2HD2 LEU 6 -4.224 4.814 -3.660
49 HD23 LEU 6 3HD2 LEU 6 -5.160 4.127 -4.998
50 H ALA 7 HN ALA 7 -2.428 2.575 -4.267
51 HA ALA 7 HA ALA 7 -0.453 1.182 -5.858
52 HB1 ALA 7 1HB ALA 7 -0.660 0.634 -3.472
53 HB2 ALA 7 2HB ALA 7 -1.062 -0.757 -4.489
54 HB3 ALA 7 3HB ALA 7 -2.343 0.185 -3.737
55 H ASP 8 HN ASP 8 -1.279 1.172 -7.903
56 HA ASP 8 HA ASP 8 -3.868 -0.115 -8.266
57 HB2 ASP 8 2HB ASP 8 -1.991 1.163 -10.277
58 HB3 ASP 8 1HB ASP 8 -3.409 0.237 -10.750
59 H THR 9 HN THR 9 -0.619 -0.771 -7.980
60 HA THR 9 HA THR 9 -0.355 -3.123 -9.431
61 HB THR 9 HB THR 9 0.876 -2.536 -6.745
62 HG1 THR 9 1HG THR 9 2.240 -1.611 -8.957
63 HG21 THR 9 1HG2 THR 9 2.796 -3.651 -7.764
64 HG22 THR 9 2HG2 THR 9 1.893 -3.811 -9.274
65 HG23 THR 9 3HG2 THR 9 1.359 -4.674 -7.829
66 H TYR 10 HN TYR 10 -1.512 -2.286 -6.187
67 HA TYR 10 HA TYR 10 -2.090 -4.963 -5.455
68 HB2 TYR 10 2HB TYR 10 -1.674 -3.268 -3.710
69 HB3 TYR 10 1HB TYR 10 -3.080 -2.356 -4.249
70 HD1 TYR 10 1HD TYR 10 -4.885 -2.537 -2.819
71 HD2 TYR 10 2HD TYR 10 -2.386 -5.930 -3.347
72 HE1 TYR 10 1HE TYR 10 -6.307 -3.783 -1.329
73 HE2 TYR 10 2HE TYR 10 -3.803 -7.225 -1.840
74 HH TYR 10 HH TYR 10 -5.442 -6.972 -0.120
75 H LYS 11 HN LYS 11 -3.842 -6.033 -5.757
76 HA LYS 11 HA LYS 11 -5.561 -5.129 -7.841
77 HB2 LYS 11 2HB LYS 11 -5.449 -7.741 -6.350
78 HB3 LYS 11 1HB LYS 11 -6.365 -7.434 -7.825
79 HG2 LYS 11 2HG LYS 11 -4.360 -7.029 -9.067
80 HG3 LYS 11 1HG LYS 11 -3.383 -7.119 -7.605
81 HD2 LYS 11 2HD LYS 11 -4.023 -9.477 -7.356
82 HD3 LYS 11 1HD LYS 11 -4.955 -9.358 -8.854
83 HE2 LYS 11 2HE LYS 11 -2.941 -8.813 -10.092
84 HE3 LYS 11 1HE LYS 11 -1.996 -8.842 -8.608
85 HZ1 LYS 11 1HZ LYS 11 -1.805 -10.867 -9.928
86 HZ2 LYS 11 2HZ LYS 11 -3.449 -11.179 -9.720
87 HZ3 LYS 11 3HZ LYS 11 -2.415 -11.171 -8.388
88 H GLY 12 HN GLY 12 -7.022 -3.751 -7.251
89 HA2 GLY 12 2HA GLY 12 -9.235 -3.364 -6.668
90 HA3 GLY 12 1HA GLY 12 -9.160 -4.711 -5.542
91 HA PRO 13 HA PRO 13 -8.739 -0.809 -3.084
92 HB2 PRO 13 2HB PRO 13 -11.217 -1.423 -1.780
93 HB3 PRO 13 1HB PRO 13 -10.878 -0.060 -2.841
94 HG2 PRO 13 2HG PRO 13 -12.586 -2.121 -3.459
95 HG3 PRO 13 1HG PRO 13 -11.758 -1.122 -4.672
96 HD2 PRO 13 2HD PRO 13 -11.070 -3.848 -3.648
97 HD3 PRO 13 1HD PRO 13 -11.001 -3.216 -5.309
98 H CYS 14 HN CYS 14 -9.121 -0.676 -0.622
99 HA CYS 14 HA CYS 14 -7.921 -3.039 0.542
100 HB2 CYS 14 2HB CYS 14 -6.771 -0.985 0.990
101 HB3 CYS 14 1HB CYS 14 -8.260 -0.222 1.544
102 H PHE 15 HN PHE 15 -9.414 -4.459 1.110
103 HA PHE 15 HA PHE 15 -11.755 -3.579 2.615
104 HB2 PHE 15 2HB PHE 15 -10.931 -6.347 1.686
105 HB3 PHE 15 1HB PHE 15 -12.439 -5.958 2.503
106 HD1 PHE 15 1HD PHE 15 -10.798 -6.278 -0.628
107 HD2 PHE 15 2HD PHE 15 -13.982 -4.268 1.353
108 HE1 PHE 15 1HE PHE 15 -11.852 -5.808 -2.800
109 HE2 PHE 15 2HE PHE 15 -15.038 -3.798 -0.812
110 HZ PHE 15 HZ PHE 15 -13.973 -4.568 -2.890
111 H THR 16 HN THR 16 -8.660 -5.034 2.895
112 HA THR 16 HA THR 16 -8.871 -4.933 5.777
113 HB THR 16 HB THR 16 -7.694 -7.235 4.238
114 HG1 THR 16 1HG THR 16 -10.168 -6.626 5.068
115 HG21 THR 16 1HG2 THR 16 -7.489 -8.297 6.456
116 HG22 THR 16 2HG2 THR 16 -8.117 -6.831 7.206
117 HG23 THR 16 3HG2 THR 16 -6.561 -6.800 6.376
118 H THR 17 HN THR 17 -7.325 -3.620 6.412
119 HA THR 17 HA THR 17 -5.355 -2.485 4.875
120 HB THR 17 HB THR 17 -5.262 -2.822 7.880
121 HG1 THR 17 1HG THR 17 -6.609 -0.863 6.302
122 HG21 THR 17 1HG2 THR 17 -4.325 -0.600 6.055
123 HG22 THR 17 2HG2 THR 17 -3.276 -1.789 6.819
124 HG23 THR 17 3HG2 THR 17 -4.167 -0.633 7.811
125 H GLY 18 HN GLY 18 -5.187 -5.295 6.983
126 HA2 GLY 18 2HA GLY 18 -2.446 -5.755 6.974
127 HA3 GLY 18 1HA GLY 18 -3.663 -7.007 7.151
128 H SER 19 HN SER 19 -4.855 -6.727 4.599
129 HA SER 19 HA SER 19 -3.083 -8.317 3.034
130 HB2 SER 19 2HB SER 19 -5.504 -8.676 2.963
131 HB3 SER 19 1HB SER 19 -5.753 -7.030 2.397
132 HG SER 19 HG SER 19 -4.687 -9.250 1.044
133 H CYS 20 HN CYS 20 -4.218 -5.015 2.956
134 HA CYS 20 HA CYS 20 -3.111 -4.207 0.490
135 HB2 CYS 20 2HB CYS 20 -4.932 -3.001 1.563
136 HB3 CYS 20 1HB CYS 20 -3.916 -2.661 2.957
137 H ASP 21 HN ASP 21 -2.033 -3.829 3.837
138 HA ASP 21 HA ASP 21 0.285 -2.354 3.249
139 HB2 ASP 21 2HB ASP 21 -0.867 -2.246 5.388
140 HB3 ASP 21 1HB ASP 21 -0.487 -3.916 5.741
141 H ASP 22 HN ASP 22 -0.293 -5.791 3.828
142 HA ASP 22 HA ASP 22 2.365 -6.700 3.808
143 HB2 ASP 22 2HB ASP 22 0.485 -8.150 4.462
144 HB3 ASP 22 1HB ASP 22 -0.128 -8.085 2.824
145 H HIS 23 HN HIS 23 0.107 -6.120 1.157
146 HA HIS 23 HA HIS 23 1.672 -7.239 -0.899
147 HB2 HIS 23 2HB HIS 23 -0.744 -6.750 -1.183
148 HB3 HIS 23 1HB HIS 23 -0.400 -5.033 -1.078
149 HD1 HIS 23 1HD HIS 23 -0.588 -7.821 -3.522
150 HD2 HIS 23 2HD HIS 23 1.013 -3.983 -3.343
151 HE1 HIS 23 1HE HIS 23 -0.073 -7.164 -5.897
152 H CYS 24 HN CYS 24 1.269 -3.842 0.041
153 HA CYS 24 HA CYS 24 3.132 -2.997 -1.858
154 HB2 CYS 24 2HB CYS 24 2.055 -1.561 0.564
155 HB3 CYS 24 1HB CYS 24 3.071 -0.796 -0.662
156 H LYS 25 HN LYS 25 3.620 -4.065 1.417
157 HA LYS 25 HA LYS 25 6.356 -3.157 1.504
158 HB2 LYS 25 2HB LYS 25 4.883 -5.135 3.226
159 HB3 LYS 25 1HB LYS 25 6.492 -4.503 3.548
160 HG2 LYS 25 2HG LYS 25 5.661 -2.322 3.887
161 HG3 LYS 25 1HG LYS 25 4.071 -2.775 3.270
162 HD2 LYS 25 2HD LYS 25 3.963 -2.655 5.636
163 HD3 LYS 25 1HD LYS 25 3.829 -4.333 5.152
164 HE2 LYS 25 2HE LYS 25 6.185 -4.693 5.720
165 HE3 LYS 25 1HE LYS 25 6.317 -2.998 6.196
166 HZ1 LYS 25 1HZ LYS 25 4.540 -5.007 7.442
167 HZ2 LYS 25 2HZ LYS 25 4.645 -3.375 7.874
168 HZ3 LYS 25 3HZ LYS 25 5.969 -4.397 8.112
169 H ASN 26 HN ASN 26 4.859 -6.377 1.414
170 HA ASN 26 HA ASN 26 7.397 -7.651 1.089
171 HB2 ASN 26 2HB ASN 26 4.578 -8.675 1.229
172 HB3 ASN 26 1HB ASN 26 5.952 -9.736 0.934
173 HD21 ASN 26 1HD2 ASN 26 4.003 -9.362 3.277
174 HD22 ASN 26 2HD2 ASN 26 5.080 -9.222 4.607
175 H LYS 27 HN LYS 27 4.687 -6.987 -1.032
176 HA LYS 27 HA LYS 27 5.872 -8.559 -3.146
177 HB2 LYS 27 2HB LYS 27 3.476 -8.632 -2.943
178 HB3 LYS 27 1HB LYS 27 3.365 -6.886 -2.984
179 HG2 LYS 27 2HG LYS 27 2.614 -7.776 -5.076
180 HG3 LYS 27 1HG LYS 27 4.137 -6.929 -5.329
181 HD2 LYS 27 2HD LYS 27 5.320 -9.077 -5.306
182 HD3 LYS 27 1HD LYS 27 3.781 -9.907 -5.061
183 HE2 LYS 27 2HE LYS 27 4.394 -9.991 -7.404
184 HE3 LYS 27 1HE LYS 27 2.961 -8.994 -7.179
185 HZ1 LYS 27 1HZ LYS 27 4.419 -7.932 -8.690
186 HZ2 LYS 27 2HZ LYS 27 5.734 -8.063 -7.667
187 HZ3 LYS 27 3HZ LYS 27 4.488 -6.994 -7.285
188 H GLU 28 HN GLU 28 5.133 -5.121 -2.593
189 HA GLU 28 HA GLU 28 6.639 -4.562 -5.012
190 HB2 GLU 28 2HB GLU 28 4.728 -2.863 -3.477
191 HB3 GLU 28 1HB GLU 28 5.722 -2.229 -4.782
192 HG2 GLU 28 2HG GLU 28 3.710 -4.456 -4.987
193 HG3 GLU 28 1HG GLU 28 3.541 -2.819 -5.625
194 H HIS 29 HN HIS 29 7.345 -4.578 -1.790
195 HA HIS 29 HA HIS 29 9.196 -3.987 -0.633
196 HB2 HIS 29 2HB HIS 29 10.317 -3.274 -3.369
197 HB3 HIS 29 1HB HIS 29 11.272 -3.355 -1.891
198 HD1 HIS 29 1HD HIS 29 9.465 -5.579 -4.360
199 HD2 HIS 29 2HD HIS 29 11.958 -5.886 -1.052
200 HE1 HIS 29 1HE HIS 29 10.083 -7.999 -4.194
201 H LEU 30 HN LEU 30 7.090 -2.192 -0.890
202 HA LEU 30 HA LEU 30 8.337 0.438 -0.855
203 HB2 LEU 30 2HB LEU 30 5.428 -0.302 -0.504
204 HB3 LEU 30 1HB LEU 30 6.069 1.306 -0.759
205 HG LEU 30 HG LEU 30 5.936 -0.946 -2.752
206 HD11 LEU 30 1HD1 LEU 30 3.840 0.185 -2.436
207 HD12 LEU 30 2HD1 LEU 30 4.517 0.587 -4.013
208 HD13 LEU 30 3HD1 LEU 30 4.614 1.750 -2.690
209 HD21 LEU 30 1HD2 LEU 30 6.902 0.638 -4.377
210 HD22 LEU 30 2HD2 LEU 30 8.031 0.194 -3.101
211 HD23 LEU 30 3HD2 LEU 30 7.230 1.764 -3.057
212 H ARG 31 HN ARG 31 7.090 1.773 1.086
213 HA ARG 31 HA ARG 31 8.315 0.633 3.419
214 HB2 ARG 31 2HB ARG 31 8.327 3.078 3.041
215 HB3 ARG 31 1HB ARG 31 6.575 3.100 3.211
216 HG2 ARG 31 2HG ARG 31 6.888 2.162 5.528
217 HG3 ARG 31 1HG ARG 31 8.615 2.449 5.330
218 HD2 ARG 31 2HD ARG 31 8.143 4.837 4.950
219 HD3 ARG 31 1HD ARG 31 6.429 4.524 5.218
220 HE ARG 31 HE ARG 31 8.573 4.356 7.205
221 HH11 ARG 31 1HH1 ARG 31 5.063 4.401 6.537
222 HH12 ARG 31 2HH1 ARG 31 4.621 4.688 8.139
223 HH21 ARG 31 1HH2 ARG 31 7.931 4.780 9.398
224 HH22 ARG 31 2HH2 ARG 31 6.289 4.935 9.813
225 H SER 32 HN SER 32 4.957 1.517 2.625
226 HA SER 32 HA SER 32 3.914 -0.688 4.103
227 HB2 SER 32 2HB SER 32 3.482 2.137 5.117
228 HB3 SER 32 1HB SER 32 2.625 0.703 5.676
229 HG SER 32 HG SER 32 5.200 0.192 5.774
230 H GLY 33 HN GLY 33 1.469 -0.546 4.052
231 HA2 GLY 33 2HA GLY 33 0.568 0.992 1.712
232 HA3 GLY 33 1HA GLY 33 0.066 -0.671 1.970
233 H ARG 34 HN ARG 34 -1.159 2.277 2.147
234 HA ARG 34 HA ARG 34 -2.536 1.697 4.650
235 HB2 ARG 34 2HB ARG 34 -1.810 4.432 3.627
236 HB3 ARG 34 1HB ARG 34 -2.708 4.080 5.094
237 HG2 ARG 34 2HG ARG 34 -0.661 2.779 5.853
238 HG3 ARG 34 1HG ARG 34 0.179 3.540 4.504
239 HD2 ARG 34 2HD ARG 34 0.536 4.781 6.527
240 HD3 ARG 34 1HD ARG 34 -0.433 5.740 5.400
241 HE ARG 34 HE ARG 34 -2.378 4.740 6.787
242 HH11 ARG 34 1HH1 ARG 34 0.731 5.827 8.072
243 HH12 ARG 34 2HH1 ARG 34 0.095 6.180 9.616
244 HH21 ARG 34 1HH2 ARG 34 -3.214 5.191 8.886
245 HH22 ARG 34 2HH2 ARG 34 -2.182 5.762 10.102
246 H CYS 35 HN CYS 35 -4.641 1.974 4.703
247 HA CYS 35 HA CYS 35 -5.985 2.267 2.132
248 HB2 CYS 35 2HB CYS 35 -7.206 1.551 4.793
249 HB3 CYS 35 1HB CYS 35 -7.779 1.139 3.179
250 H ARG 36 HN ARG 36 -6.622 4.189 1.628
251 HA ARG 36 HA ARG 36 -7.048 6.133 3.755
252 HB2 ARG 36 2HB ARG 36 -6.637 6.428 0.809
253 HB3 ARG 36 1HB ARG 36 -6.999 7.796 1.870
254 HG2 ARG 36 2HG ARG 36 -4.585 5.992 2.048
255 HG3 ARG 36 1HG ARG 36 -4.594 7.629 1.380
256 HD2 ARG 36 2HD ARG 36 -5.304 8.473 3.584
257 HD3 ARG 36 1HD ARG 36 -5.217 6.835 4.227
258 HE ARG 36 HE ARG 36 -2.778 7.797 3.021
259 HH11 ARG 36 1HH1 ARG 36 -4.672 7.617 6.034
260 HH12 ARG 36 2HH1 ARG 36 -3.338 7.842 7.051
261 HH21 ARG 36 1HH2 ARG 36 -0.959 8.081 4.426
262 HH22 ARG 36 2HH2 ARG 36 -1.180 8.130 6.130
263 H ASP 37 HN ASP 37 -8.722 7.900 2.848
264 HA ASP 37 HA ASP 37 -11.237 6.993 3.535
265 HB2 ASP 37 2HB ASP 37 -10.595 9.376 1.799
266 HB3 ASP 37 1HB ASP 37 -12.123 9.083 2.605
267 H ASP 38 HN ASP 38 -9.889 7.303 0.361
268 HA ASP 38 HA ASP 38 -12.234 6.784 -1.187
269 HB2 ASP 38 2HB ASP 38 -9.331 6.371 -1.823
270 HB3 ASP 38 1HB ASP 38 -10.624 6.167 -2.986
271 H PHE 39 HN PHE 39 -10.726 4.731 0.928
272 HA PHE 39 HA PHE 39 -10.643 2.541 1.336
273 HB2 PHE 39 2HB PHE 39 -12.445 2.230 -1.094
274 HB3 PHE 39 1HB PHE 39 -11.998 0.909 -0.028
275 HD1 PHE 39 1HD PHE 39 -12.853 0.861 2.274
276 HD2 PHE 39 2HD PHE 39 -14.137 3.776 -0.527
277 HE1 PHE 39 1HE PHE 39 -14.804 1.355 3.697
278 HE2 PHE 39 2HE PHE 39 -16.095 4.283 0.886
279 HZ PHE 39 HZ PHE 39 -16.426 3.070 3.001
280 H ARG 40 HN ARG 40 -9.203 4.057 -0.867
281 HA ARG 40 HA ARG 40 -8.059 1.873 -2.376
282 HB2 ARG 40 2HB ARG 40 -7.895 4.842 -2.633
283 HB3 ARG 40 1HB ARG 40 -6.705 3.801 -3.406
284 HG2 ARG 40 2HG ARG 40 -8.442 2.618 -4.495
285 HG3 ARG 40 1HG ARG 40 -9.672 3.704 -3.821
286 HD2 ARG 40 2HD ARG 40 -7.373 4.586 -5.567
287 HD3 ARG 40 1HD ARG 40 -8.968 4.193 -6.191
288 HE ARG 40 HE ARG 40 -9.199 6.122 -4.171
289 HH11 ARG 40 1HH1 ARG 40 -8.005 5.795 -7.498
290 HH12 ARG 40 2HH1 ARG 40 -8.426 7.362 -7.963
291 HH21 ARG 40 1HH2 ARG 40 -9.824 8.317 -4.829
292 HH22 ARG 40 2HH2 ARG 40 -9.478 8.809 -6.422
293 H CYS 41 HN CYS 41 -5.953 1.367 -2.434
294 HA CYS 41 HA CYS 41 -4.581 1.800 0.023
295 HB2 CYS 41 2HB CYS 41 -4.061 0.078 -2.373
296 HB3 CYS 41 1HB CYS 41 -2.873 0.262 -1.093
297 H TRP 42 HN TRP 42 -3.550 3.522 0.289
298 HA TRP 42 HA TRP 42 -1.940 4.644 -1.861
299 HB2 TRP 42 2HB TRP 42 -3.512 5.755 0.311
300 HB3 TRP 42 1HB TRP 42 -1.849 6.315 0.393
301 HD1 TRP 42 1HD TRP 42 -0.971 7.758 -1.757
302 HE1 TRP 42 1HE TRP 42 -2.227 9.257 -3.368
303 HE3 TRP 42 3HE TRP 42 -5.754 6.019 -0.960
304 HZ2 TRP 42 2HZ TRP 42 -4.884 9.710 -4.195
305 HZ3 TRP 42 3HZ TRP 42 -7.570 7.089 -2.204
306 HH2 TRP 42 2HH TRP 42 -7.144 8.877 -3.794
307 H CYS 43 HN CYS 43 -0.055 3.737 -1.791
308 HA CYS 43 HA CYS 43 0.969 2.788 0.766
309 HB2 CYS 43 2HB CYS 43 1.611 1.896 -2.043
310 HB3 CYS 43 1HB CYS 43 2.345 1.252 -0.574
311 H THR 44 HN THR 44 2.891 3.373 1.447
312 HA THR 44 HA THR 44 4.055 5.718 0.243
313 HB THR 44 HB THR 44 4.806 4.237 2.757
314 HG1 THR 44 1HG THR 44 3.290 6.626 2.617
315 HG21 THR 44 1HG2 THR 44 5.853 6.370 3.372
316 HG22 THR 44 2HG2 THR 44 5.381 7.048 1.811
317 HG23 THR 44 3HG2 THR 44 6.544 5.728 1.885
318 H LYS 45 HN LYS 45 5.658 5.604 -1.097
319 HA LYS 45 HA LYS 45 7.374 3.235 -1.095
320 HB2 LYS 45 2HB LYS 45 7.931 3.852 -3.422
321 HB3 LYS 45 1HB LYS 45 6.207 3.592 -3.219
322 HG2 LYS 45 2HG LYS 45 5.836 5.992 -3.187
323 HG3 LYS 45 1HG LYS 45 7.573 6.268 -3.331
324 HD2 LYS 45 2HD LYS 45 7.568 5.117 -5.492
325 HD3 LYS 45 1HD LYS 45 5.827 4.866 -5.353
326 HE2 LYS 45 2HE LYS 45 5.457 7.262 -5.349
327 HE3 LYS 45 1HE LYS 45 7.194 7.552 -5.384
328 HZ1 LYS 45 1HZ LYS 45 5.599 6.264 -7.547
329 HZ2 LYS 45 2HZ LYS 45 7.264 6.457 -7.551
330 HZ3 LYS 45 3HZ LYS 45 6.264 7.819 -7.553
331 H ASN 46 HN ASN 46 9.582 3.548 -1.123
332 HA ASN 46 HA ASN 46 10.405 6.010 0.132
333 HB2 ASN 46 2HB ASN 46 11.967 3.480 -0.451
334 HB3 ASN 46 1HB ASN 46 12.616 4.877 0.396
335 HD21 ASN 46 1HD2 ASN 46 10.622 2.093 0.586
336 HD22 ASN 46 2HD2 ASN 46 10.340 2.112 2.287
337 H CYS 47 HN CYS 47 11.067 7.628 -0.957
338 HA CYS 47 HA CYS 47 12.057 7.292 -3.674
339 HB2 CYS 47 2HB CYS 47 10.855 9.708 -2.282
340 HB3 CYS 47 1HB CYS 47 11.320 9.619 -3.982
Start of MODEL 17
1 H1 LYS 1 1HT LYS 1 13.862 11.581 -0.328
2 H2 LYS 1 2HT LYS 1 12.862 10.590 -1.291
3 H3 LYS 1 3HT LYS 1 13.581 9.961 0.111
4 HA LYS 1 HA LYS 1 12.254 11.458 1.445
5 HB2 LYS 1 2HB LYS 1 12.016 13.197 -0.373
6 HB3 LYS 1 1HB LYS 1 10.986 12.087 -1.242
7 HG2 LYS 1 2HG LYS 1 9.609 13.722 -0.160
8 HG3 LYS 1 1HG LYS 1 9.364 12.169 0.631
9 HD2 LYS 1 2HD LYS 1 9.506 13.893 2.315
10 HD3 LYS 1 1HD LYS 1 10.947 12.885 2.419
11 HE2 LYS 1 2HE LYS 1 11.497 15.261 2.625
12 HE3 LYS 1 1HE LYS 1 12.217 14.574 1.175
13 HZ1 LYS 1 1HZ LYS 1 11.225 16.721 0.733
14 HZ2 LYS 1 2HZ LYS 1 9.720 16.180 1.261
15 HZ3 LYS 1 3HZ LYS 1 10.404 15.538 -0.123
16 H THR 2 HN THR 2 10.296 10.481 2.226
17 HA THR 2 HA THR 2 9.381 8.261 0.609
18 HB THR 2 HB THR 2 8.063 7.820 2.830
19 HG1 THR 2 1HG THR 2 10.326 9.088 3.947
20 HG21 THR 2 1HG2 THR 2 11.035 7.387 2.623
21 HG22 THR 2 2HG2 THR 2 9.796 6.353 1.913
22 HG23 THR 2 3HG2 THR 2 9.944 6.478 3.671
23 H CYS 3 HN CYS 3 7.395 8.237 -0.210
24 HA CYS 3 HA CYS 3 5.545 10.341 0.542
25 HB2 CYS 3 2HB CYS 3 5.155 10.743 -1.945
26 HB3 CYS 3 1HB CYS 3 6.664 11.370 -1.288
27 H GLU 4 HN GLU 4 3.391 9.810 0.072
28 HA GLU 4 HA GLU 4 3.010 6.948 -0.252
29 HB2 GLU 4 2HB GLU 4 2.087 8.119 1.758
30 HB3 GLU 4 1HB GLU 4 1.076 9.070 0.679
31 HG2 GLU 4 2HG GLU 4 -0.073 7.139 -0.043
32 HG3 GLU 4 1HG GLU 4 0.976 6.080 0.903
33 H ASN 5 HN ASN 5 1.964 6.120 -1.965
34 HA ASN 5 HA ASN 5 0.368 7.783 -3.682
35 HB2 ASN 5 2HB ASN 5 2.597 8.276 -4.574
36 HB3 ASN 5 1HB ASN 5 2.959 6.563 -4.692
37 HD21 ASN 5 1HD2 ASN 5 1.019 9.162 -5.987
38 HD22 ASN 5 2HD2 ASN 5 0.671 8.413 -7.504
39 H LEU 6 HN LEU 6 -0.802 6.565 -5.225
40 HA LEU 6 HA LEU 6 -1.957 4.286 -4.209
41 HB2 LEU 6 2HB LEU 6 -2.033 5.569 -6.887
42 HB3 LEU 6 1HB LEU 6 -2.889 4.072 -6.581
43 HG LEU 6 HG LEU 6 -3.334 6.575 -4.956
44 HD11 LEU 6 1HD1 LEU 6 -3.947 6.946 -7.303
45 HD12 LEU 6 2HD1 LEU 6 -5.361 6.804 -6.237
46 HD13 LEU 6 3HD1 LEU 6 -4.884 5.443 -7.258
47 HD21 LEU 6 1HD2 LEU 6 -5.371 5.410 -4.332
48 HD22 LEU 6 2HD2 LEU 6 -3.943 4.499 -3.863
49 HD23 LEU 6 3HD2 LEU 6 -4.871 4.015 -5.284
50 H ALA 7 HN ALA 7 -1.941 2.238 -4.595
51 HA ALA 7 HA ALA 7 0.393 1.054 -5.812
52 HB1 ALA 7 1HB ALA 7 -0.426 0.191 -3.695
53 HB2 ALA 7 2HB ALA 7 -0.567 -1.042 -4.956
54 HB3 ALA 7 3HB ALA 7 -1.993 -0.137 -4.430
55 H ASP 8 HN ASP 8 0.320 0.839 -7.934
56 HA ASP 8 HA ASP 8 -2.085 0.801 -9.469
57 HB2 ASP 8 2HB ASP 8 -0.029 1.658 -10.448
58 HB3 ASP 8 1HB ASP 8 0.749 0.090 -10.247
59 H THR 9 HN THR 9 0.166 -1.615 -8.344
60 HA THR 9 HA THR 9 -0.806 -3.786 -9.815
61 HB THR 9 HB THR 9 0.703 -3.807 -7.210
62 HG1 THR 9 1HG THR 9 2.289 -2.892 -8.233
63 HG21 THR 9 1HG2 THR 9 1.737 -5.781 -8.167
64 HG22 THR 9 2HG2 THR 9 0.824 -5.547 -9.657
65 HG23 THR 9 3HG2 THR 9 -0.022 -5.984 -8.165
66 H TYR 10 HN TYR 10 -1.867 -2.262 -6.876
67 HA TYR 10 HA TYR 10 -3.201 -4.560 -5.814
68 HB2 TYR 10 2HB TYR 10 -2.350 -2.617 -4.434
69 HB3 TYR 10 1HB TYR 10 -3.653 -1.655 -5.117
70 HD1 TYR 10 1HD TYR 10 -6.016 -2.113 -4.463
71 HD2 TYR 10 2HD TYR 10 -2.759 -4.267 -2.765
72 HE1 TYR 10 1HE TYR 10 -7.472 -2.894 -2.668
73 HE2 TYR 10 2HE TYR 10 -4.212 -5.053 -0.969
74 HH TYR 10 HH TYR 10 -6.314 -4.247 0.143
75 H LYS 11 HN LYS 11 -4.814 -5.344 -6.920
76 HA LYS 11 HA LYS 11 -6.544 -3.554 -8.401
77 HB2 LYS 11 2HB LYS 11 -7.444 -5.601 -9.460
78 HB3 LYS 11 1HB LYS 11 -5.712 -5.409 -9.669
79 HG2 LYS 11 2HG LYS 11 -5.293 -7.102 -7.986
80 HG3 LYS 11 1HG LYS 11 -7.025 -7.245 -7.673
81 HD2 LYS 11 2HD LYS 11 -7.369 -7.969 -9.997
82 HD3 LYS 11 1HD LYS 11 -5.631 -7.855 -10.281
83 HE2 LYS 11 2HE LYS 11 -5.248 -9.564 -8.567
84 HE3 LYS 11 1HE LYS 11 -6.980 -9.659 -8.282
85 HZ1 LYS 11 1HZ LYS 11 -5.659 -10.288 -10.854
86 HZ2 LYS 11 2HZ LYS 11 -7.298 -10.425 -10.530
87 HZ3 LYS 11 3HZ LYS 11 -6.197 -11.430 -9.732
88 H GLY 12 HN GLY 12 -8.275 -2.806 -7.488
89 HA2 GLY 12 2HA GLY 12 -10.531 -3.342 -6.795
90 HA3 GLY 12 1HA GLY 12 -9.855 -4.620 -5.796
91 HA PRO 13 HA PRO 13 -10.221 -0.950 -3.046
92 HB2 PRO 13 2HB PRO 13 -12.300 -1.858 -1.530
93 HB3 PRO 13 1HB PRO 13 -12.516 -0.836 -2.949
94 HG2 PRO 13 2HG PRO 13 -13.213 -3.630 -2.573
95 HG3 PRO 13 1HG PRO 13 -13.625 -2.562 -3.918
96 HD2 PRO 13 2HD PRO 13 -11.550 -4.602 -3.758
97 HD3 PRO 13 1HD PRO 13 -12.134 -3.711 -5.177
98 H CYS 14 HN CYS 14 -9.925 -0.899 -0.750
99 HA CYS 14 HA CYS 14 -8.468 -3.159 0.254
100 HB2 CYS 14 2HB CYS 14 -7.545 -0.983 0.672
101 HB3 CYS 14 1HB CYS 14 -9.046 -0.428 1.409
102 H PHE 15 HN PHE 15 -9.466 -4.758 1.185
103 HA PHE 15 HA PHE 15 -11.984 -4.323 2.589
104 HB2 PHE 15 2HB PHE 15 -10.525 -6.887 1.911
105 HB3 PHE 15 1HB PHE 15 -12.097 -6.792 2.692
106 HD1 PHE 15 1HD PHE 15 -10.291 -6.699 -0.428
107 HD2 PHE 15 2HD PHE 15 -14.024 -5.881 1.436
108 HE1 PHE 15 1HE PHE 15 -11.373 -6.681 -2.618
109 HE2 PHE 15 2HE PHE 15 -15.113 -5.863 -0.742
110 HZ PHE 15 HZ PHE 15 -13.788 -6.267 -2.794
111 H THR 16 HN THR 16 -8.642 -5.193 3.056
112 HA THR 16 HA THR 16 -8.967 -4.985 5.953
113 HB THR 16 HB THR 16 -7.294 -7.134 4.618
114 HG1 THR 16 1HG THR 16 -9.442 -7.617 4.245
115 HG21 THR 16 1HG2 THR 16 -6.567 -6.473 6.856
116 HG22 THR 16 2HG2 THR 16 -7.257 -8.096 6.893
117 HG23 THR 16 3HG2 THR 16 -8.198 -6.724 7.475
118 H THR 17 HN THR 17 -7.510 -3.492 6.650
119 HA THR 17 HA THR 17 -5.726 -2.190 4.987
120 HB THR 17 HB THR 17 -5.633 -2.272 8.024
121 HG1 THR 17 1HG THR 17 -7.632 -1.591 7.699
122 HG21 THR 17 1HG2 THR 17 -3.715 -1.131 6.958
123 HG22 THR 17 2HG2 THR 17 -4.759 0.028 7.786
124 HG23 THR 17 3HG2 THR 17 -4.831 -0.129 6.031
125 H GLY 18 HN GLY 18 -5.130 -4.801 7.335
126 HA2 GLY 18 2HA GLY 18 -2.328 -4.862 7.134
127 HA3 GLY 18 1HA GLY 18 -3.341 -6.208 7.629
128 H SER 19 HN SER 19 -4.793 -6.305 5.109
129 HA SER 19 HA SER 19 -3.028 -8.002 3.645
130 HB2 SER 19 2HB SER 19 -5.492 -8.405 3.856
131 HB3 SER 19 1HB SER 19 -5.782 -6.962 2.891
132 HG SER 19 HG SER 19 -5.463 -9.388 2.057
133 H CYS 20 HN CYS 20 -4.163 -4.735 3.378
134 HA CYS 20 HA CYS 20 -3.150 -4.158 0.779
135 HB2 CYS 20 2HB CYS 20 -4.932 -2.849 1.810
136 HB3 CYS 20 1HB CYS 20 -3.856 -2.386 3.118
137 H ASP 21 HN ASP 21 -2.052 -3.569 4.094
138 HA ASP 21 HA ASP 21 0.392 -2.351 3.618
139 HB2 ASP 21 2HB ASP 21 -0.653 -2.524 5.830
140 HB3 ASP 21 1HB ASP 21 -0.400 -4.262 5.826
141 H ASP 22 HN ASP 22 -0.484 -5.706 3.787
142 HA ASP 22 HA ASP 22 1.976 -6.996 3.533
143 HB2 ASP 22 2HB ASP 22 -0.066 -8.184 4.049
144 HB3 ASP 22 1HB ASP 22 -0.757 -7.708 2.509
145 H HIS 23 HN HIS 23 -0.287 -5.911 1.029
146 HA HIS 23 HA HIS 23 1.120 -6.908 -1.187
147 HB2 HIS 23 2HB HIS 23 -1.264 -6.282 -1.278
148 HB3 HIS 23 1HB HIS 23 -0.835 -4.598 -1.031
149 HD1 HIS 23 1HD HIS 23 -1.069 -7.221 -3.679
150 HD2 HIS 23 2HD HIS 23 0.309 -3.323 -3.276
151 HE1 HIS 23 1HE HIS 23 -0.757 -6.355 -6.009
152 H CYS 24 HN CYS 24 1.035 -3.666 0.208
153 HA CYS 24 HA CYS 24 2.793 -2.553 -1.648
154 HB2 CYS 24 2HB CYS 24 2.268 -1.652 1.176
155 HB3 CYS 24 1HB CYS 24 3.026 -0.690 -0.085
156 H LYS 25 HN LYS 25 3.430 -4.158 1.445
157 HA LYS 25 HA LYS 25 6.196 -3.385 1.438
158 HB2 LYS 25 2HB LYS 25 4.799 -5.466 3.109
159 HB3 LYS 25 1HB LYS 25 6.430 -4.874 3.380
160 HG2 LYS 25 2HG LYS 25 5.530 -2.622 3.755
161 HG3 LYS 25 1HG LYS 25 3.904 -3.251 3.513
162 HD2 LYS 25 2HD LYS 25 4.067 -3.233 5.816
163 HD3 LYS 25 1HD LYS 25 4.531 -4.882 5.427
164 HE2 LYS 25 2HE LYS 25 6.456 -2.619 5.954
165 HE3 LYS 25 1HE LYS 25 5.949 -3.794 7.152
166 HZ1 LYS 25 1HZ LYS 25 7.535 -4.363 4.690
167 HZ2 LYS 25 2HZ LYS 25 6.994 -5.530 5.785
168 HZ3 LYS 25 3HZ LYS 25 8.072 -4.361 6.283
169 H ASN 26 HN ASN 26 4.467 -6.368 0.675
170 HA ASN 26 HA ASN 26 6.996 -7.701 0.201
171 HB2 ASN 26 2HB ASN 26 4.176 -8.767 -0.022
172 HB3 ASN 26 1HB ASN 26 5.633 -9.728 -0.249
173 HD21 ASN 26 1HD2 ASN 26 3.567 -8.171 2.022
174 HD22 ASN 26 2HD2 ASN 26 4.294 -8.792 3.452
175 H LYS 27 HN LYS 27 4.061 -7.178 -1.704
176 HA LYS 27 HA LYS 27 5.283 -8.095 -4.093
177 HB2 LYS 27 2HB LYS 27 2.925 -8.401 -3.823
178 HB3 LYS 27 1HB LYS 27 2.673 -6.691 -3.539
179 HG2 LYS 27 2HG LYS 27 1.919 -7.305 -5.758
180 HG3 LYS 27 1HG LYS 27 3.287 -6.199 -5.848
181 HD2 LYS 27 2HD LYS 27 4.757 -8.234 -6.149
182 HD3 LYS 27 1HD LYS 27 3.272 -9.171 -6.343
183 HE2 LYS 27 2HE LYS 27 4.124 -8.552 -8.510
184 HE3 LYS 27 1HE LYS 27 2.620 -7.689 -8.200
185 HZ1 LYS 27 1HZ LYS 27 5.352 -6.572 -7.896
186 HZ2 LYS 27 2HZ LYS 27 3.949 -5.700 -7.589
187 HZ3 LYS 27 3HZ LYS 27 4.309 -6.216 -9.152
188 H GLU 28 HN GLU 28 4.397 -4.891 -2.907
189 HA GLU 28 HA GLU 28 5.572 -3.767 -5.287
190 HB2 GLU 28 2HB GLU 28 4.171 -2.377 -3.028
191 HB3 GLU 28 1HB GLU 28 4.768 -1.589 -4.480
192 HG2 GLU 28 2HG GLU 28 2.687 -3.762 -4.402
193 HG3 GLU 28 1HG GLU 28 2.387 -2.044 -4.665
194 H HIS 29 HN HIS 29 6.759 -4.607 -2.337
195 HA HIS 29 HA HIS 29 8.799 -4.350 -1.339
196 HB2 HIS 29 2HB HIS 29 9.495 -3.219 -4.059
197 HB3 HIS 29 1HB HIS 29 10.685 -3.463 -2.791
198 HD1 HIS 29 1HD HIS 29 11.860 -5.649 -2.916
199 HD2 HIS 29 2HD HIS 29 8.150 -5.781 -4.777
200 HE1 HIS 29 1HE HIS 29 11.688 -7.937 -3.971
201 H LEU 30 HN LEU 30 6.818 -2.247 -1.082
202 HA LEU 30 HA LEU 30 8.480 0.141 -0.770
203 HB2 LEU 30 2HB LEU 30 5.474 -0.153 -0.755
204 HB3 LEU 30 1HB LEU 30 6.361 1.359 -0.692
205 HG LEU 30 HG LEU 30 6.315 -0.568 -3.011
206 HD11 LEU 30 1HD1 LEU 30 4.238 0.556 -2.854
207 HD12 LEU 30 2HD1 LEU 30 5.153 1.267 -4.186
208 HD13 LEU 30 3HD1 LEU 30 5.027 2.110 -2.639
209 HD21 LEU 30 1HD2 LEU 30 8.466 0.531 -2.875
210 HD22 LEU 30 2HD2 LEU 30 7.683 2.105 -2.739
211 HD23 LEU 30 3HD2 LEU 30 7.543 1.177 -4.230
212 H ARG 31 HN ARG 31 7.435 1.508 1.202
213 HA ARG 31 HA ARG 31 8.352 0.056 3.442
214 HB2 ARG 31 2HB ARG 31 8.758 2.415 3.417
215 HB3 ARG 31 1HB ARG 31 7.038 2.764 3.274
216 HG2 ARG 31 2HG ARG 31 6.703 1.702 5.499
217 HG3 ARG 31 1HG ARG 31 8.451 1.565 5.641
218 HD2 ARG 31 2HD ARG 31 8.720 3.892 5.731
219 HD3 ARG 31 1HD ARG 31 7.080 4.182 5.140
220 HE ARG 31 HE ARG 31 7.114 2.675 7.543
221 HH11 ARG 31 1HH1 ARG 31 7.548 6.024 6.436
222 HH12 ARG 31 2HH1 ARG 31 6.733 6.688 7.750
223 HH21 ARG 31 1HH2 ARG 31 5.930 3.651 9.322
224 HH22 ARG 31 2HH2 ARG 31 5.815 5.350 9.399
225 H SER 32 HN SER 32 5.072 1.341 2.776
226 HA SER 32 HA SER 32 3.930 -0.864 4.234
227 HB2 SER 32 2HB SER 32 3.671 1.976 5.265
228 HB3 SER 32 1HB SER 32 2.727 0.603 5.841
229 HG SER 32 HG SER 32 5.361 0.033 5.844
230 H GLY 33 HN GLY 33 1.516 -0.687 4.213
231 HA2 GLY 33 2HA GLY 33 0.605 0.892 1.908
232 HA3 GLY 33 1HA GLY 33 0.103 -0.775 2.160
233 H ARG 34 HN ARG 34 -1.030 2.188 2.349
234 HA ARG 34 HA ARG 34 -2.579 1.569 4.729
235 HB2 ARG 34 2HB ARG 34 -1.443 4.250 3.933
236 HB3 ARG 34 1HB ARG 34 -2.694 4.059 5.155
237 HG2 ARG 34 2HG ARG 34 -1.188 2.638 6.468
238 HG3 ARG 34 1HG ARG 34 0.062 2.840 5.246
239 HD2 ARG 34 2HD ARG 34 -1.168 5.072 6.860
240 HD3 ARG 34 1HD ARG 34 0.364 4.285 7.224
241 HE ARG 34 HE ARG 34 -0.034 5.650 4.648
242 HH11 ARG 34 1HH1 ARG 34 1.795 5.383 7.690
243 HH12 ARG 34 2HH1 ARG 34 2.924 6.577 7.228
244 HH21 ARG 34 1HH2 ARG 34 1.425 7.186 4.099
245 HH22 ARG 34 2HH2 ARG 34 2.744 7.642 5.127
246 H CYS 35 HN CYS 35 -4.621 1.519 4.461
247 HA CYS 35 HA CYS 35 -5.821 2.169 1.908
248 HB2 CYS 35 2HB CYS 35 -7.143 1.237 4.471
249 HB3 CYS 35 1HB CYS 35 -7.793 1.130 2.836
250 H ARG 36 HN ARG 36 -6.779 3.993 1.491
251 HA ARG 36 HA ARG 36 -7.084 5.813 3.736
252 HB2 ARG 36 2HB ARG 36 -6.745 6.349 0.809
253 HB3 ARG 36 1HB ARG 36 -7.068 7.622 2.003
254 HG2 ARG 36 2HG ARG 36 -4.647 5.828 1.847
255 HG3 ARG 36 1HG ARG 36 -4.710 7.552 1.476
256 HD2 ARG 36 2HD ARG 36 -5.376 7.971 3.835
257 HD3 ARG 36 1HD ARG 36 -5.167 6.255 4.156
258 HE ARG 36 HE ARG 36 -2.804 7.209 3.029
259 HH11 ARG 36 1HH1 ARG 36 -4.653 7.532 6.034
260 HH12 ARG 36 2HH1 ARG 36 -3.314 8.013 6.957
261 HH21 ARG 36 1HH2 ARG 36 -0.998 7.737 4.306
262 HH22 ARG 36 2HH2 ARG 36 -1.161 8.154 5.953
263 H ASP 37 HN ASP 37 -8.861 7.603 2.969
264 HA ASP 37 HA ASP 37 -11.264 6.306 3.620
265 HB2 ASP 37 2HB ASP 37 -10.825 9.120 2.615
266 HB3 ASP 37 1HB ASP 37 -12.340 8.517 3.271
267 H ASP 38 HN ASP 38 -9.903 6.979 0.585
268 HA ASP 38 HA ASP 38 -12.384 6.673 -0.884
269 HB2 ASP 38 2HB ASP 38 -9.529 6.756 -1.877
270 HB3 ASP 38 1HB ASP 38 -10.938 6.652 -2.925
271 H PHE 39 HN PHE 39 -10.621 4.577 0.767
272 HA PHE 39 HA PHE 39 -10.536 2.388 1.008
273 HB2 PHE 39 2HB PHE 39 -12.699 2.345 -1.091
274 HB3 PHE 39 1HB PHE 39 -12.130 0.896 -0.272
275 HD1 PHE 39 1HD PHE 39 -12.386 0.744 2.226
276 HD2 PHE 39 2HD PHE 39 -14.264 3.770 -0.093
277 HE1 PHE 39 1HE PHE 39 -13.959 1.168 4.067
278 HE2 PHE 39 2HE PHE 39 -15.843 4.205 1.742
279 HZ PHE 39 HZ PHE 39 -15.695 2.904 3.825
280 H ARG 40 HN ARG 40 -9.202 3.804 -1.444
281 HA ARG 40 HA ARG 40 -8.317 1.352 -2.762
282 HB2 ARG 40 2HB ARG 40 -8.922 3.564 -3.995
283 HB3 ARG 40 1HB ARG 40 -7.375 4.149 -3.409
284 HG2 ARG 40 2HG ARG 40 -7.073 3.389 -5.646
285 HG3 ARG 40 1HG ARG 40 -6.284 2.229 -4.576
286 HD2 ARG 40 2HD ARG 40 -7.509 1.048 -6.304
287 HD3 ARG 40 1HD ARG 40 -8.285 0.765 -4.751
288 HE ARG 40 HE ARG 40 -9.552 2.945 -5.873
289 HH11 ARG 40 1HH1 ARG 40 -9.127 -0.470 -6.676
290 HH12 ARG 40 2HH1 ARG 40 -10.554 -0.575 -7.592
291 HH21 ARG 40 1HH2 ARG 40 -11.513 2.782 -7.146
292 HH22 ARG 40 2HH2 ARG 40 -11.936 1.288 -7.847
293 H CYS 41 HN CYS 41 -5.865 1.101 -2.992
294 HA CYS 41 HA CYS 41 -4.726 1.634 -0.403
295 HB2 CYS 41 2HB CYS 41 -4.132 -0.368 -2.507
296 HB3 CYS 41 1HB CYS 41 -2.921 0.025 -1.288
297 H TRP 42 HN TRP 42 -3.296 2.964 0.039
298 HA TRP 42 HA TRP 42 -1.670 4.186 -2.047
299 HB2 TRP 42 2HB TRP 42 -3.011 5.134 0.409
300 HB3 TRP 42 1HB TRP 42 -1.411 5.776 0.114
301 HD1 TRP 42 1HD TRP 42 -1.159 7.541 -1.817
302 HE1 TRP 42 1HE TRP 42 -2.841 8.932 -3.153
303 HE3 TRP 42 3HE TRP 42 -5.427 4.952 -0.726
304 HZ2 TRP 42 2HZ TRP 42 -5.611 8.954 -3.679
305 HZ3 TRP 42 3HZ TRP 42 -7.552 5.734 -1.681
306 HH2 TRP 42 2HH TRP 42 -7.638 7.693 -3.135
307 H CYS 43 HN CYS 43 0.408 3.555 -1.956
308 HA CYS 43 HA CYS 43 1.330 2.215 0.481
309 HB2 CYS 43 2HB CYS 43 2.534 2.158 -2.278
310 HB3 CYS 43 1HB CYS 43 2.993 1.160 -0.912
311 H THR 44 HN THR 44 3.130 2.944 1.496
312 HA THR 44 HA THR 44 4.087 5.586 0.839
313 HB THR 44 HB THR 44 5.099 3.707 2.985
314 HG1 THR 44 1HG THR 44 2.697 5.118 2.735
315 HG21 THR 44 1HG2 THR 44 6.410 5.768 2.595
316 HG22 THR 44 2HG2 THR 44 5.598 5.815 4.161
317 HG23 THR 44 3HG2 THR 44 4.947 6.731 2.803
318 H LYS 45 HN LYS 45 5.564 5.734 -0.745
319 HA LYS 45 HA LYS 45 7.479 3.547 -1.120
320 HB2 LYS 45 2HB LYS 45 7.657 4.323 -3.454
321 HB3 LYS 45 1HB LYS 45 6.046 3.770 -3.033
322 HG2 LYS 45 2HG LYS 45 5.254 6.052 -2.896
323 HG3 LYS 45 1HG LYS 45 6.887 6.663 -3.164
324 HD2 LYS 45 2HD LYS 45 5.550 6.767 -5.220
325 HD3 LYS 45 1HD LYS 45 6.911 5.658 -5.386
326 HE2 LYS 45 2HE LYS 45 5.407 3.767 -4.960
327 HE3 LYS 45 1HE LYS 45 4.049 4.870 -4.817
328 HZ1 LYS 45 1HZ LYS 45 4.441 5.515 -7.158
329 HZ2 LYS 45 2HZ LYS 45 4.104 3.874 -6.949
330 HZ3 LYS 45 3HZ LYS 45 5.686 4.353 -7.238
331 H ASN 46 HN ASN 46 9.513 4.345 -2.237
332 HA ASN 46 HA ASN 46 10.435 6.724 -0.822
333 HB2 ASN 46 2HB ASN 46 12.065 4.546 -2.187
334 HB3 ASN 46 1HB ASN 46 12.715 5.915 -1.304
335 HD21 ASN 46 1HD2 ASN 46 11.159 2.856 -1.070
336 HD22 ASN 46 2HD2 ASN 46 11.344 2.618 0.629
337 H CYS 47 HN CYS 47 10.870 8.473 -1.922
338 HA CYS 47 HA CYS 47 11.255 8.285 -4.772
339 HB2 CYS 47 2HB CYS 47 9.966 10.543 -4.858
340 HB3 CYS 47 1HB CYS 47 9.030 9.063 -4.709
Start of MODEL 18
1 H1 LYS 1 1HT LYS 1 13.016 12.395 1.796
2 H2 LYS 1 2HT LYS 1 12.200 11.180 2.605
3 H3 LYS 1 3HT LYS 1 11.368 12.233 1.565
4 HA LYS 1 HA LYS 1 12.470 11.435 -0.327
5 HB2 LYS 1 2HB LYS 1 14.027 9.547 -0.229
6 HB3 LYS 1 1HB LYS 1 14.640 10.931 0.659
7 HG2 LYS 1 2HG LYS 1 13.956 9.877 2.765
8 HG3 LYS 1 1HG LYS 1 13.330 8.495 1.866
9 HD2 LYS 1 2HD LYS 1 15.521 7.976 2.763
10 HD3 LYS 1 1HD LYS 1 15.600 8.063 1.006
11 HE2 LYS 1 2HE LYS 1 16.527 10.316 1.137
12 HE3 LYS 1 1HE LYS 1 16.397 10.281 2.895
13 HZ1 LYS 1 1HZ LYS 1 18.623 9.817 2.176
14 HZ2 LYS 1 2HZ LYS 1 18.113 8.525 1.227
15 HZ3 LYS 1 3HZ LYS 1 17.976 8.446 2.913
16 H THR 2 HN THR 2 10.185 10.713 1.569
17 HA THR 2 HA THR 2 9.498 8.318 0.068
18 HB THR 2 HB THR 2 8.058 7.650 2.092
19 HG1 THR 2 1HG THR 2 8.165 9.152 3.562
20 HG21 THR 2 1HG2 THR 2 9.978 6.382 1.350
21 HG22 THR 2 2HG2 THR 2 9.917 6.405 3.117
22 HG23 THR 2 3HG2 THR 2 11.066 7.437 2.253
23 H CYS 3 HN CYS 3 7.642 8.316 -0.891
24 HA CYS 3 HA CYS 3 5.913 10.633 -0.430
25 HB2 CYS 3 2HB CYS 3 6.678 9.324 -3.043
26 HB3 CYS 3 1HB CYS 3 5.351 10.468 -2.887
27 H GLU 4 HN GLU 4 3.775 10.305 -0.330
28 HA GLU 4 HA GLU 4 2.884 7.563 -0.037
29 HB2 GLU 4 2HB GLU 4 2.325 9.561 1.505
30 HB3 GLU 4 1HB GLU 4 1.260 10.083 0.206
31 HG2 GLU 4 2HG GLU 4 -0.150 8.898 1.611
32 HG3 GLU 4 1HG GLU 4 0.282 7.739 0.359
33 H ASN 5 HN ASN 5 1.915 6.603 -1.757
34 HA ASN 5 HA ASN 5 0.433 8.221 -3.636
35 HB2 ASN 5 2HB ASN 5 2.865 8.327 -4.401
36 HB3 ASN 5 1HB ASN 5 2.758 6.600 -4.708
37 HD21 ASN 5 1HD2 ASN 5 3.175 7.002 -6.955
38 HD22 ASN 5 2HD2 ASN 5 1.930 7.623 -7.955
39 H LEU 6 HN LEU 6 -0.746 6.925 -5.150
40 HA LEU 6 HA LEU 6 -2.009 4.788 -3.931
41 HB2 LEU 6 2HB LEU 6 -2.017 5.699 -6.785
42 HB3 LEU 6 1HB LEU 6 -2.993 4.358 -6.222
43 HG LEU 6 HG LEU 6 -3.197 7.190 -5.184
44 HD11 LEU 6 1HD1 LEU 6 -5.029 5.629 -6.995
45 HD12 LEU 6 2HD1 LEU 6 -4.011 6.988 -7.494
46 HD13 LEU 6 3HD1 LEU 6 -5.324 7.232 -6.333
47 HD21 LEU 6 1HD2 LEU 6 -4.789 4.705 -4.662
48 HD22 LEU 6 2HD2 LEU 6 -5.257 6.329 -4.169
49 HD23 LEU 6 3HD2 LEU 6 -3.803 5.597 -3.500
50 H ALA 7 HN ALA 7 -1.937 2.751 -3.998
51 HA ALA 7 HA ALA 7 0.358 1.286 -4.569
52 HB1 ALA 7 1HB ALA 7 -1.363 0.591 -2.997
53 HB2 ALA 7 2HB ALA 7 -1.078 -0.672 -4.193
54 HB3 ALA 7 3HB ALA 7 -2.501 0.373 -4.321
55 H ASP 8 HN ASP 8 0.971 0.116 -6.309
56 HA ASP 8 HA ASP 8 -0.072 1.114 -8.818
57 HB2 ASP 8 2HB ASP 8 2.348 -0.585 -8.243
58 HB3 ASP 8 1HB ASP 8 1.978 0.195 -9.777
59 H THR 9 HN THR 9 0.711 -2.120 -7.459
60 HA THR 9 HA THR 9 -0.580 -3.424 -9.653
61 HB THR 9 HB THR 9 0.601 -4.628 -7.150
62 HG1 THR 9 1HG THR 9 2.476 -4.110 -7.804
63 HG21 THR 9 1HG2 THR 9 -0.633 -6.107 -8.641
64 HG22 THR 9 2HG2 THR 9 1.100 -6.484 -8.649
65 HG23 THR 9 3HG2 THR 9 0.377 -5.581 -9.993
66 H TYR 10 HN TYR 10 -1.315 -2.384 -6.442
67 HA TYR 10 HA TYR 10 -3.373 -4.329 -5.886
68 HB2 TYR 10 2HB TYR 10 -1.913 -3.110 -4.178
69 HB3 TYR 10 1HB TYR 10 -2.877 -1.689 -4.524
70 HD1 TYR 10 1HD TYR 10 -2.656 -4.789 -2.730
71 HD2 TYR 10 2HD TYR 10 -5.308 -1.667 -3.841
72 HE1 TYR 10 1HE TYR 10 -4.148 -5.440 -0.923
73 HE2 TYR 10 2HE TYR 10 -6.829 -2.305 -2.028
74 HH TYR 10 HH TYR 10 -5.900 -4.294 0.481
75 H LYS 11 HN LYS 11 -4.894 -4.172 -7.432
76 HA LYS 11 HA LYS 11 -6.082 -1.549 -7.964
77 HB2 LYS 11 2HB LYS 11 -6.054 -4.069 -9.607
78 HB3 LYS 11 1HB LYS 11 -7.025 -2.666 -10.028
79 HG2 LYS 11 2HG LYS 11 -5.064 -1.314 -10.314
80 HG3 LYS 11 1HG LYS 11 -4.032 -2.602 -9.698
81 HD2 LYS 11 2HD LYS 11 -5.714 -2.834 -12.191
82 HD3 LYS 11 1HD LYS 11 -4.021 -2.343 -12.198
83 HE2 LYS 11 2HE LYS 11 -3.429 -4.485 -11.119
84 HE3 LYS 11 1HE LYS 11 -5.116 -4.977 -11.191
85 HZ1 LYS 11 1HZ LYS 11 -3.808 -5.895 -12.995
86 HZ2 LYS 11 2HZ LYS 11 -3.410 -4.356 -13.530
87 HZ3 LYS 11 3HZ LYS 11 -5.013 -4.876 -13.598
88 H GLY 12 HN GLY 12 -6.562 -3.700 -5.932
89 HA2 GLY 12 2HA GLY 12 -9.467 -3.956 -6.264
90 HA3 GLY 12 1HA GLY 12 -8.500 -4.877 -5.111
91 HA PRO 13 HA PRO 13 -10.039 -1.191 -2.790
92 HB2 PRO 13 2HB PRO 13 -12.279 -2.335 -1.636
93 HB3 PRO 13 1HB PRO 13 -12.301 -1.333 -3.085
94 HG2 PRO 13 2HG PRO 13 -12.896 -4.125 -2.881
95 HG3 PRO 13 1HG PRO 13 -12.868 -3.138 -4.343
96 HD2 PRO 13 2HD PRO 13 -10.804 -4.962 -3.250
97 HD3 PRO 13 1HD PRO 13 -11.075 -4.456 -4.929
98 H CYS 14 HN CYS 14 -9.375 -0.930 -0.703
99 HA CYS 14 HA CYS 14 -8.502 -3.312 0.684
100 HB2 CYS 14 2HB CYS 14 -6.921 -1.468 0.683
101 HB3 CYS 14 1HB CYS 14 -8.124 -0.395 1.400
102 H PHE 15 HN PHE 15 -9.753 -4.310 2.035
103 HA PHE 15 HA PHE 15 -11.668 -2.744 3.621
104 HB2 PHE 15 2HB PHE 15 -11.711 -5.716 2.997
105 HB3 PHE 15 1HB PHE 15 -12.915 -4.841 3.931
106 HD1 PHE 15 1HD PHE 15 -12.150 -6.140 0.791
107 HD2 PHE 15 2HD PHE 15 -13.995 -2.785 2.644
108 HE1 PHE 15 1HE PHE 15 -13.399 -5.695 -1.272
109 HE2 PHE 15 2HE PHE 15 -15.255 -2.332 0.580
110 HZ PHE 15 HZ PHE 15 -14.959 -3.788 -1.380
111 H THR 16 HN THR 16 -9.560 -5.556 3.633
112 HA THR 16 HA THR 16 -9.037 -5.257 6.456
113 HB THR 16 HB THR 16 -7.874 -7.213 4.466
114 HG1 THR 16 1HG THR 16 -10.086 -7.722 6.184
115 HG21 THR 16 1HG2 THR 16 -8.227 -7.338 7.470
116 HG22 THR 16 2HG2 THR 16 -6.708 -7.059 6.620
117 HG23 THR 16 3HG2 THR 16 -7.535 -8.609 6.463
118 H THR 17 HN THR 17 -7.453 -3.848 6.974
119 HA THR 17 HA THR 17 -5.808 -2.564 5.123
120 HB THR 17 HB THR 17 -5.346 -2.823 8.098
121 HG1 THR 17 1HG THR 17 -7.296 -1.522 6.588
122 HG21 THR 17 1HG2 THR 17 -4.355 -0.568 7.855
123 HG22 THR 17 2HG2 THR 17 -4.643 -0.638 6.115
124 HG23 THR 17 3HG2 THR 17 -3.504 -1.756 6.867
125 H GLY 18 HN GLY 18 -5.304 -5.400 7.132
126 HA2 GLY 18 2HA GLY 18 -2.564 -5.724 6.909
127 HA3 GLY 18 1HA GLY 18 -3.718 -7.033 7.127
128 H SER 19 HN SER 19 -5.098 -6.645 4.597
129 HA SER 19 HA SER 19 -3.516 -8.214 2.903
130 HB2 SER 19 2HB SER 19 -5.885 -6.507 2.148
131 HB3 SER 19 1HB SER 19 -5.360 -8.018 1.399
132 HG SER 19 HG SER 19 -6.146 -9.139 3.017
133 H CYS 20 HN CYS 20 -4.234 -4.780 3.043
134 HA CYS 20 HA CYS 20 -2.956 -4.056 0.597
135 HB2 CYS 20 2HB CYS 20 -4.708 -2.692 1.605
136 HB3 CYS 20 1HB CYS 20 -3.706 -2.432 3.025
137 H ASP 21 HN ASP 21 -2.084 -4.156 3.983
138 HA ASP 21 HA ASP 21 0.427 -2.918 3.790
139 HB2 ASP 21 2HB ASP 21 -0.692 -3.149 5.921
140 HB3 ASP 21 1HB ASP 21 -0.689 -4.896 5.768
141 H ASP 22 HN ASP 22 -0.641 -6.264 3.683
142 HA ASP 22 HA ASP 22 1.830 -7.554 3.476
143 HB2 ASP 22 2HB ASP 22 -0.136 -8.848 3.825
144 HB3 ASP 22 1HB ASP 22 -0.868 -8.204 2.373
145 H HIS 23 HN HIS 23 -0.338 -6.357 0.996
146 HA HIS 23 HA HIS 23 1.202 -7.168 -1.166
147 HB2 HIS 23 2HB HIS 23 -1.178 -6.584 -1.341
148 HB3 HIS 23 1HB HIS 23 -0.789 -4.903 -1.007
149 HD1 HIS 23 1HD HIS 23 -0.547 -7.506 -3.740
150 HD2 HIS 23 2HD HIS 23 0.196 -3.474 -3.107
151 HE1 HIS 23 1HE HIS 23 -0.126 -6.534 -5.999
152 H CYS 24 HN CYS 24 0.914 -3.869 0.209
153 HA CYS 24 HA CYS 24 2.982 -3.020 -1.471
154 HB2 CYS 24 2HB CYS 24 1.693 -1.622 0.861
155 HB3 CYS 24 1HB CYS 24 2.928 -0.871 -0.151
156 H LYS 25 HN LYS 25 3.146 -4.412 1.707
157 HA LYS 25 HA LYS 25 5.869 -3.585 2.122
158 HB2 LYS 25 2HB LYS 25 4.146 -5.629 3.494
159 HB3 LYS 25 1HB LYS 25 5.822 -5.374 3.932
160 HG2 LYS 25 2HG LYS 25 3.695 -3.241 4.012
161 HG3 LYS 25 1HG LYS 25 4.160 -4.228 5.393
162 HD2 LYS 25 2HD LYS 25 6.031 -2.433 3.846
163 HD3 LYS 25 1HD LYS 25 5.248 -2.004 5.361
164 HE2 LYS 25 2HE LYS 25 6.332 -3.915 6.439
165 HE3 LYS 25 1HE LYS 25 7.176 -4.264 4.925
166 HZ1 LYS 25 1HZ LYS 25 7.431 -1.777 6.519
167 HZ2 LYS 25 2HZ LYS 25 8.238 -2.095 5.078
168 HZ3 LYS 25 3HZ LYS 25 8.570 -3.019 6.445
169 H ASN 26 HN ASN 26 4.386 -6.749 1.436
170 HA ASN 26 HA ASN 26 7.070 -7.820 1.055
171 HB2 ASN 26 2HB ASN 26 4.455 -9.330 0.965
172 HB3 ASN 26 1HB ASN 26 6.076 -10.004 1.061
173 HD21 ASN 26 1HD2 ASN 26 3.432 -8.704 2.785
174 HD22 ASN 26 2HD2 ASN 26 4.102 -8.857 4.359
175 H LYS 27 HN LYS 27 4.092 -7.426 -0.785
176 HA LYS 27 HA LYS 27 5.111 -8.925 -3.007
177 HB2 LYS 27 2HB LYS 27 2.663 -7.157 -2.899
178 HB3 LYS 27 1HB LYS 27 3.017 -8.377 -4.107
179 HG2 LYS 27 2HG LYS 27 2.492 -8.927 -1.182
180 HG3 LYS 27 1HG LYS 27 1.326 -9.115 -2.490
181 HD2 LYS 27 2HD LYS 27 2.803 -10.798 -3.516
182 HD3 LYS 27 1HD LYS 27 3.919 -10.622 -2.166
183 HE2 LYS 27 2HE LYS 27 1.045 -11.551 -1.967
184 HE3 LYS 27 1HE LYS 27 2.453 -12.601 -1.922
185 HZ1 LYS 27 1HZ LYS 27 3.135 -11.323 0.137
186 HZ2 LYS 27 2HZ LYS 27 1.798 -12.290 0.272
187 HZ3 LYS 27 3HZ LYS 27 1.569 -10.653 0.179
188 H GLU 28 HN GLU 28 4.587 -5.516 -2.322
189 HA GLU 28 HA GLU 28 5.678 -4.721 -4.918
190 HB2 GLU 28 2HB GLU 28 4.629 -3.104 -2.618
191 HB3 GLU 28 1HB GLU 28 5.155 -2.451 -4.158
192 HG2 GLU 28 2HG GLU 28 2.955 -4.461 -3.902
193 HG3 GLU 28 1HG GLU 28 2.694 -2.718 -3.869
194 H HIS 29 HN HIS 29 6.602 -4.804 -1.573
195 HA HIS 29 HA HIS 29 8.363 -4.202 -0.406
196 HB2 HIS 29 2HB HIS 29 9.733 -5.578 -1.908
197 HB3 HIS 29 1HB HIS 29 9.843 -4.266 -3.069
198 HD1 HIS 29 1HD HIS 29 12.265 -3.582 -3.047
199 HD2 HIS 29 2HD HIS 29 10.790 -4.228 0.785
200 HE1 HIS 29 1HE HIS 29 14.109 -2.932 -1.480
201 H LEU 30 HN LEU 30 6.851 -2.394 -0.308
202 HA LEU 30 HA LEU 30 8.286 0.100 -0.847
203 HB2 LEU 30 2HB LEU 30 5.332 -0.300 -0.301
204 HB3 LEU 30 1HB LEU 30 6.114 1.223 -0.658
205 HG LEU 30 HG LEU 30 5.683 -1.086 -2.542
206 HD11 LEU 30 1HD1 LEU 30 4.570 1.704 -2.510
207 HD12 LEU 30 2HD1 LEU 30 3.699 0.212 -2.158
208 HD13 LEU 30 3HD1 LEU 30 4.309 0.513 -3.783
209 HD21 LEU 30 1HD2 LEU 30 6.674 0.387 -4.284
210 HD22 LEU 30 2HD2 LEU 30 7.826 -0.134 -3.062
211 HD23 LEU 30 3HD2 LEU 30 7.180 1.501 -3.008
212 H ARG 31 HN ARG 31 7.274 1.702 1.075
213 HA ARG 31 HA ARG 31 8.508 0.557 3.377
214 HB2 ARG 31 2HB ARG 31 8.811 2.931 2.929
215 HB3 ARG 31 1HB ARG 31 7.082 3.198 3.063
216 HG2 ARG 31 2HG ARG 31 7.139 2.595 5.410
217 HG3 ARG 31 1HG ARG 31 8.860 2.237 5.294
218 HD2 ARG 31 2HD ARG 31 9.322 4.554 4.761
219 HD3 ARG 31 1HD ARG 31 7.596 4.920 4.790
220 HE ARG 31 HE ARG 31 8.180 3.795 7.231
221 HH11 ARG 31 1HH1 ARG 31 9.322 6.631 5.476
222 HH12 ARG 31 2HH1 ARG 31 9.508 7.577 6.873
223 HH21 ARG 31 1HH2 ARG 31 8.440 5.051 9.108
224 HH22 ARG 31 2HH2 ARG 31 8.987 6.658 8.999
225 H SER 32 HN SER 32 5.160 1.287 2.491
226 HA SER 32 HA SER 32 4.136 -0.612 4.321
227 HB2 SER 32 2HB SER 32 2.846 1.133 5.667
228 HB3 SER 32 1HB SER 32 4.579 1.058 6.001
229 HG SER 32 HG SER 32 3.966 3.189 5.740
230 H GLY 33 HN GLY 33 1.608 -0.492 4.217
231 HA2 GLY 33 2HA GLY 33 0.722 1.015 1.866
232 HA3 GLY 33 1HA GLY 33 0.227 -0.650 2.074
233 H ARG 34 HN ARG 34 -0.834 2.396 2.423
234 HA ARG 34 HA ARG 34 -2.227 1.893 4.951
235 HB2 ARG 34 2HB ARG 34 -1.619 4.562 3.666
236 HB3 ARG 34 1HB ARG 34 -2.172 4.268 5.310
237 HG2 ARG 34 2HG ARG 34 -0.063 3.238 5.892
238 HG3 ARG 34 1HG ARG 34 0.491 3.360 4.227
239 HD2 ARG 34 2HD ARG 34 1.540 5.115 5.391
240 HD3 ARG 34 1HD ARG 34 0.239 5.864 4.474
241 HE ARG 34 HE ARG 34 -0.522 5.144 7.118
242 HH11 ARG 34 1HH1 ARG 34 0.814 7.712 5.087
243 HH12 ARG 34 2HH1 ARG 34 0.795 8.909 6.298
244 HH21 ARG 34 1HH2 ARG 34 -0.568 6.811 8.824
245 HH22 ARG 34 2HH2 ARG 34 -0.033 8.388 8.454
246 H CYS 35 HN CYS 35 -4.362 1.702 4.774
247 HA CYS 35 HA CYS 35 -5.619 2.109 2.202
248 HB2 CYS 35 2HB CYS 35 -6.851 1.127 4.784
249 HB3 CYS 35 1HB CYS 35 -7.509 0.971 3.155
250 H ARG 36 HN ARG 36 -6.927 3.730 1.683
251 HA ARG 36 HA ARG 36 -7.353 5.734 3.757
252 HB2 ARG 36 2HB ARG 36 -6.922 6.052 0.810
253 HB3 ARG 36 1HB ARG 36 -7.316 7.376 1.900
254 HG2 ARG 36 2HG ARG 36 -4.884 5.618 2.241
255 HG3 ARG 36 1HG ARG 36 -4.871 7.131 1.340
256 HD2 ARG 36 2HD ARG 36 -4.025 7.409 3.627
257 HD3 ARG 36 1HD ARG 36 -5.470 8.364 3.346
258 HE ARG 36 HE ARG 36 -5.666 5.766 4.698
259 HH11 ARG 36 1HH1 ARG 36 -5.822 9.299 4.916
260 HH12 ARG 36 2HH1 ARG 36 -6.807 9.331 6.292
261 HH21 ARG 36 1HH2 ARG 36 -6.978 5.794 6.639
262 HH22 ARG 36 2HH2 ARG 36 -7.459 7.279 7.302
263 H ASP 37 HN ASP 37 -9.164 7.374 2.875
264 HA ASP 37 HA ASP 37 -11.561 5.911 3.315
265 HB2 ASP 37 2HB ASP 37 -12.755 7.983 3.351
266 HB3 ASP 37 1HB ASP 37 -11.202 8.276 4.112
267 H ASP 38 HN ASP 38 -9.969 6.715 0.445
268 HA ASP 38 HA ASP 38 -12.364 6.465 -1.189
269 HB2 ASP 38 2HB ASP 38 -9.458 6.777 -1.920
270 HB3 ASP 38 1HB ASP 38 -10.671 6.384 -3.130
271 H PHE 39 HN PHE 39 -10.888 4.298 0.558
272 HA PHE 39 HA PHE 39 -10.815 2.059 0.668
273 HB2 PHE 39 2HB PHE 39 -12.378 2.111 -1.934
274 HB3 PHE 39 1HB PHE 39 -11.995 0.642 -1.054
275 HD1 PHE 39 1HD PHE 39 -12.999 0.281 1.205
276 HD2 PHE 39 2HD PHE 39 -14.194 3.481 -1.332
277 HE1 PHE 39 1HE PHE 39 -15.082 0.522 2.495
278 HE2 PHE 39 2HE PHE 39 -16.276 3.730 -0.044
279 HZ PHE 39 HZ PHE 39 -16.721 2.249 1.871
280 H ARG 40 HN ARG 40 -9.189 3.803 -1.415
281 HA ARG 40 HA ARG 40 -7.832 1.554 -2.689
282 HB2 ARG 40 2HB ARG 40 -8.624 3.622 -4.008
283 HB3 ARG 40 1HB ARG 40 -7.328 4.491 -3.201
284 HG2 ARG 40 2HG ARG 40 -6.528 3.847 -5.337
285 HG3 ARG 40 1HG ARG 40 -5.731 2.802 -4.154
286 HD2 ARG 40 2HD ARG 40 -6.415 1.456 -6.010
287 HD3 ARG 40 1HD ARG 40 -7.475 1.068 -4.658
288 HE ARG 40 HE ARG 40 -8.568 3.133 -6.243
289 HH11 ARG 40 1HH1 ARG 40 -8.239 -0.409 -6.094
290 HH12 ARG 40 2HH1 ARG 40 -9.421 -0.705 -7.275
291 HH21 ARG 40 1HH2 ARG 40 -10.244 2.720 -7.804
292 HH22 ARG 40 2HH2 ARG 40 -10.605 1.121 -8.260
293 H CYS 41 HN CYS 41 -5.456 1.567 -2.589
294 HA CYS 41 HA CYS 41 -4.604 2.285 0.069
295 HB2 CYS 41 2HB CYS 41 -3.517 0.451 -2.018
296 HB3 CYS 41 1HB CYS 41 -2.613 0.871 -0.570
297 H TRP 42 HN TRP 42 -3.291 3.808 0.510
298 HA TRP 42 HA TRP 42 -1.621 4.948 -1.577
299 HB2 TRP 42 2HB TRP 42 -3.072 6.074 0.723
300 HB3 TRP 42 1HB TRP 42 -1.392 6.585 0.655
301 HD1 TRP 42 1HD TRP 42 -0.675 8.174 -1.380
302 HE1 TRP 42 1HE TRP 42 -2.019 9.659 -2.988
303 HE3 TRP 42 3HE TRP 42 -5.341 6.235 -0.591
304 HZ2 TRP 42 2HZ TRP 42 -4.694 9.980 -3.809
305 HZ3 TRP 42 3HZ TRP 42 -7.240 7.209 -1.820
306 HH2 TRP 42 2HH TRP 42 -6.916 9.036 -3.395
307 H CYS 43 HN CYS 43 0.254 4.028 -1.525
308 HA CYS 43 HA CYS 43 1.191 2.887 1.002
309 HB2 CYS 43 2HB CYS 43 1.792 2.039 -1.839
310 HB3 CYS 43 1HB CYS 43 2.451 1.293 -0.385
311 H THR 44 HN THR 44 3.185 3.474 1.690
312 HA THR 44 HA THR 44 4.301 5.818 0.512
313 HB THR 44 HB THR 44 5.326 4.171 2.839
314 HG1 THR 44 1HG THR 44 3.119 5.767 2.613
315 HG21 THR 44 1HG2 THR 44 6.419 6.277 3.501
316 HG22 THR 44 2HG2 THR 44 5.799 7.045 2.040
317 HG23 THR 44 3HG2 THR 44 6.967 5.731 1.916
318 H LYS 45 HN LYS 45 5.653 5.712 -1.134
319 HA LYS 45 HA LYS 45 7.596 3.525 -1.203
320 HB2 LYS 45 2HB LYS 45 7.712 3.848 -3.696
321 HB3 LYS 45 1HB LYS 45 6.181 3.227 -3.110
322 HG2 LYS 45 2HG LYS 45 5.068 5.249 -3.534
323 HG3 LYS 45 1HG LYS 45 6.582 6.140 -3.709
324 HD2 LYS 45 2HD LYS 45 5.511 5.707 -5.889
325 HD3 LYS 45 1HD LYS 45 7.090 4.946 -5.766
326 HE2 LYS 45 2HE LYS 45 5.631 3.389 -6.835
327 HE3 LYS 45 1HE LYS 45 5.892 2.793 -5.204
328 HZ1 LYS 45 1HZ LYS 45 3.669 3.625 -4.601
329 HZ2 LYS 45 2HZ LYS 45 3.604 2.645 -6.009
330 HZ3 LYS 45 3HZ LYS 45 3.528 4.286 -6.163
331 H ASN 46 HN ASN 46 9.648 4.197 -2.410
332 HA ASN 46 HA ASN 46 10.518 6.627 -1.123
333 HB2 ASN 46 2HB ASN 46 12.095 4.698 -2.848
334 HB3 ASN 46 1HB ASN 46 12.772 6.033 -1.930
335 HD21 ASN 46 1HD2 ASN 46 13.464 3.299 -1.758
336 HD22 ASN 46 2HD2 ASN 46 13.154 2.761 -0.155
337 H CYS 47 HN CYS 47 11.290 8.429 -2.135
338 HA CYS 47 HA CYS 47 11.067 8.559 -5.001
339 HB2 CYS 47 2HB CYS 47 9.860 10.771 -4.789
340 HB3 CYS 47 1HB CYS 47 8.902 9.361 -4.359
Start of MODEL 19
1 H1 LYS 1 1HT LYS 1 11.510 11.973 0.435
2 H2 LYS 1 2HT LYS 1 12.994 12.227 1.140
3 H3 LYS 1 3HT LYS 1 11.768 11.532 2.045
4 HA LYS 1 HA LYS 1 13.034 10.384 -0.353
5 HB2 LYS 1 2HB LYS 1 14.113 8.745 1.146
6 HB3 LYS 1 1HB LYS 1 14.620 10.387 1.511
7 HG2 LYS 1 2HG LYS 1 13.034 10.432 3.397
8 HG3 LYS 1 1HG LYS 1 12.592 8.764 3.032
9 HD2 LYS 1 2HD LYS 1 14.904 8.065 3.424
10 HD3 LYS 1 1HD LYS 1 15.346 9.734 3.771
11 HE2 LYS 1 2HE LYS 1 15.042 8.482 5.837
12 HE3 LYS 1 1HE LYS 1 13.827 9.745 5.687
13 HZ1 LYS 1 1HZ LYS 1 12.221 8.105 5.008
14 HZ2 LYS 1 2HZ LYS 1 12.903 7.635 6.471
15 HZ3 LYS 1 3HZ LYS 1 13.378 6.876 5.046
16 H THR 2 HN THR 2 10.280 10.622 1.072
17 HA THR 2 HA THR 2 9.403 8.059 0.060
18 HB THR 2 HB THR 2 7.781 7.966 2.077
19 HG1 THR 2 1HG THR 2 8.541 10.061 2.874
20 HG21 THR 2 1HG2 THR 2 9.486 6.270 1.700
21 HG22 THR 2 2HG2 THR 2 9.383 6.639 3.423
22 HG23 THR 2 3HG2 THR 2 10.708 7.292 2.455
23 H CYS 3 HN CYS 3 7.356 8.103 -0.776
24 HA CYS 3 HA CYS 3 5.788 10.470 -0.326
25 HB2 CYS 3 2HB CYS 3 5.359 10.865 -2.701
26 HB3 CYS 3 1HB CYS 3 7.085 10.931 -2.418
27 H GLU 4 HN GLU 4 3.609 10.024 -0.351
28 HA GLU 4 HA GLU 4 3.045 7.177 -0.419
29 HB2 GLU 4 2HB GLU 4 2.499 8.529 1.605
30 HB3 GLU 4 1HB GLU 4 1.371 9.453 0.624
31 HG2 GLU 4 2HG GLU 4 -0.025 7.576 0.324
32 HG3 GLU 4 1HG GLU 4 1.167 6.489 1.048
33 H ASN 5 HN ASN 5 2.108 6.345 -2.116
34 HA ASN 5 HA ASN 5 0.422 8.022 -3.799
35 HB2 ASN 5 2HB ASN 5 2.797 8.156 -4.651
36 HB3 ASN 5 1HB ASN 5 2.761 6.413 -4.865
37 HD21 ASN 5 1HD2 ASN 5 1.523 9.452 -5.994
38 HD22 ASN 5 2HD2 ASN 5 0.949 8.897 -7.512
39 H LEU 6 HN LEU 6 -0.578 6.581 -5.498
40 HA LEU 6 HA LEU 6 -1.896 4.525 -4.158
41 HB2 LEU 6 2HB LEU 6 -1.862 5.327 -7.041
42 HB3 LEU 6 1HB LEU 6 -2.896 4.058 -6.403
43 HG LEU 6 HG LEU 6 -2.957 6.960 -5.602
44 HD11 LEU 6 1HD1 LEU 6 -5.145 6.954 -6.646
45 HD12 LEU 6 2HD1 LEU 6 -4.929 5.275 -7.123
46 HD13 LEU 6 3HD1 LEU 6 -3.905 6.535 -7.838
47 HD21 LEU 6 1HD2 LEU 6 -3.520 5.601 -3.739
48 HD22 LEU 6 2HD2 LEU 6 -4.549 4.598 -4.751
49 HD23 LEU 6 3HD2 LEU 6 -5.008 6.269 -4.414
50 H ALA 7 HN ALA 7 -1.751 2.444 -4.257
51 HA ALA 7 HA ALA 7 0.635 1.116 -4.883
52 HB1 ALA 7 1HB ALA 7 -1.024 0.394 -3.241
53 HB2 ALA 7 2HB ALA 7 -0.605 -0.912 -4.361
54 HB3 ALA 7 3HB ALA 7 -2.133 -0.030 -4.541
55 H ASP 8 HN ASP 8 1.106 -0.369 -6.567
56 HA ASP 8 HA ASP 8 -0.192 0.468 -9.059
57 HB2 ASP 8 2HB ASP 8 2.210 0.917 -8.930
58 HB3 ASP 8 1HB ASP 8 2.521 -0.791 -8.646
59 H THR 9 HN THR 9 0.894 -2.454 -7.356
60 HA THR 9 HA THR 9 -0.494 -3.925 -9.438
61 HB THR 9 HB THR 9 0.768 -5.948 -8.435
62 HG1 THR 9 1HG THR 9 1.593 -4.839 -6.632
63 HG21 THR 9 1HG2 THR 9 1.145 -5.030 -10.666
64 HG22 THR 9 2HG2 THR 9 2.667 -5.507 -9.919
65 HG23 THR 9 3HG2 THR 9 2.216 -3.802 -9.991
66 H TYR 10 HN TYR 10 -0.825 -3.020 -6.220
67 HA TYR 10 HA TYR 10 -2.342 -5.234 -5.353
68 HB2 TYR 10 2HB TYR 10 -1.537 -3.548 -3.738
69 HB3 TYR 10 1HB TYR 10 -2.592 -2.340 -4.468
70 HD1 TYR 10 1HD TYR 10 -2.588 -5.523 -2.560
71 HD2 TYR 10 2HD TYR 10 -4.868 -2.172 -3.835
72 HE1 TYR 10 1HE TYR 10 -4.408 -6.197 -1.061
73 HE2 TYR 10 2HE TYR 10 -6.684 -2.828 -2.353
74 HH TYR 10 HH TYR 10 -7.531 -4.714 -1.228
75 H LYS 11 HN LYS 11 -4.097 -5.960 -6.199
76 HA LYS 11 HA LYS 11 -5.696 -4.136 -7.791
77 HB2 LYS 11 2HB LYS 11 -5.365 -7.122 -7.915
78 HB3 LYS 11 1HB LYS 11 -6.569 -6.245 -8.854
79 HG2 LYS 11 2HG LYS 11 -4.857 -4.992 -10.000
80 HG3 LYS 11 1HG LYS 11 -3.609 -5.694 -8.979
81 HD2 LYS 11 2HD LYS 11 -5.370 -7.311 -10.813
82 HD3 LYS 11 1HD LYS 11 -3.798 -6.669 -11.287
83 HE2 LYS 11 2HE LYS 11 -2.726 -7.941 -9.502
84 HE3 LYS 11 1HE LYS 11 -4.290 -8.557 -8.978
85 HZ1 LYS 11 1HZ LYS 11 -3.109 -10.149 -10.353
86 HZ2 LYS 11 2HZ LYS 11 -3.061 -9.062 -11.637
87 HZ3 LYS 11 3HZ LYS 11 -4.541 -9.660 -11.079
88 H GLY 12 HN GLY 12 -7.700 -3.697 -7.343
89 HA2 GLY 12 2HA GLY 12 -9.837 -4.089 -6.469
90 HA3 GLY 12 1HA GLY 12 -9.153 -5.287 -5.369
91 HA PRO 13 HA PRO 13 -9.345 -1.199 -3.124
92 HB2 PRO 13 2HB PRO 13 -11.700 -1.942 -1.672
93 HB3 PRO 13 1HB PRO 13 -11.527 -0.629 -2.834
94 HG2 PRO 13 2HG PRO 13 -13.071 -2.895 -3.224
95 HG3 PRO 13 1HG PRO 13 -12.468 -1.846 -4.514
96 HD2 PRO 13 2HD PRO 13 -11.419 -4.470 -3.552
97 HD3 PRO 13 1HD PRO 13 -11.485 -3.810 -5.201
98 H CYS 14 HN CYS 14 -9.272 -0.944 -0.756
99 HA CYS 14 HA CYS 14 -7.993 -3.202 0.470
100 HB2 CYS 14 2HB CYS 14 -7.005 -1.041 0.853
101 HB3 CYS 14 1HB CYS 14 -8.533 -0.396 1.441
102 H PHE 15 HN PHE 15 -9.185 -4.725 1.328
103 HA PHE 15 HA PHE 15 -11.695 -4.036 2.629
104 HB2 PHE 15 2HB PHE 15 -10.473 -6.725 1.983
105 HB3 PHE 15 1HB PHE 15 -12.057 -6.476 2.706
106 HD1 PHE 15 1HD PHE 15 -13.767 -5.170 1.367
107 HD2 PHE 15 2HD PHE 15 -10.209 -6.747 -0.329
108 HE1 PHE 15 1HE PHE 15 -14.772 -5.027 -0.869
109 HE2 PHE 15 2HE PHE 15 -11.204 -6.611 -2.564
110 HZ PHE 15 HZ PHE 15 -13.491 -5.745 -2.837
111 H THR 16 HN THR 16 -8.587 -5.550 3.187
112 HA THR 16 HA THR 16 -8.889 -4.987 6.035
113 HB THR 16 HB THR 16 -7.408 -7.342 4.804
114 HG1 THR 16 1HG THR 16 -10.026 -7.025 5.775
115 HG21 THR 16 1HG2 THR 16 -6.491 -6.592 6.949
116 HG22 THR 16 2HG2 THR 16 -7.303 -8.147 7.142
117 HG23 THR 16 3HG2 THR 16 -8.096 -6.665 7.673
118 H THR 17 HN THR 17 -7.350 -3.573 6.665
119 HA THR 17 HA THR 17 -5.580 -2.431 4.872
120 HB THR 17 HB THR 17 -5.575 -2.323 7.889
121 HG1 THR 17 1HG THR 17 -7.022 -1.208 5.814
122 HG21 THR 17 1HG2 THR 17 -4.429 -0.385 5.845
123 HG22 THR 17 2HG2 THR 17 -3.475 -1.429 6.896
124 HG23 THR 17 3HG2 THR 17 -4.459 -0.140 7.592
125 H GLY 18 HN GLY 18 -5.053 -5.006 7.205
126 HA2 GLY 18 2HA GLY 18 -2.273 -5.120 7.130
127 HA3 GLY 18 1HA GLY 18 -3.333 -6.478 7.476
128 H SER 19 HN SER 19 -4.654 -6.544 4.933
129 HA SER 19 HA SER 19 -2.817 -8.081 3.432
130 HB2 SER 19 2HB SER 19 -5.532 -7.020 2.658
131 HB3 SER 19 1HB SER 19 -4.690 -8.394 1.930
132 HG SER 19 HG SER 19 -4.999 -9.559 3.673
133 H CYS 20 HN CYS 20 -4.199 -4.864 3.086
134 HA CYS 20 HA CYS 20 -3.127 -4.205 0.556
135 HB2 CYS 20 2HB CYS 20 -4.917 -2.885 1.492
136 HB3 CYS 20 1HB CYS 20 -3.975 -2.536 2.932
137 H ASP 21 HN ASP 21 -2.074 -3.585 3.848
138 HA ASP 21 HA ASP 21 0.358 -2.314 3.359
139 HB2 ASP 21 2HB ASP 21 -0.844 -2.334 5.507
140 HB3 ASP 21 1HB ASP 21 -0.522 -4.051 5.668
141 H ASP 22 HN ASP 22 -0.513 -5.671 3.714
142 HA ASP 22 HA ASP 22 2.010 -6.884 3.723
143 HB2 ASP 22 2HB ASP 22 -0.066 -8.078 4.281
144 HB3 ASP 22 1HB ASP 22 -0.607 -7.915 2.619
145 H HIS 23 HN HIS 23 -0.208 -6.333 0.980
146 HA HIS 23 HA HIS 23 1.480 -7.393 -0.980
147 HB2 HIS 23 2HB HIS 23 -0.958 -7.021 -1.297
148 HB3 HIS 23 1HB HIS 23 -0.670 -5.286 -1.329
149 HD1 HIS 23 1HD HIS 23 -0.873 -8.195 -3.536
150 HD2 HIS 23 2HD HIS 23 0.931 -4.459 -3.607
151 HE1 HIS 23 1HE HIS 23 -0.211 -7.791 -5.934
152 H CYS 24 HN CYS 24 0.980 -4.002 -0.003
153 HA CYS 24 HA CYS 24 2.761 -2.988 -1.878
154 HB2 CYS 24 2HB CYS 24 1.747 -1.788 0.692
155 HB3 CYS 24 1HB CYS 24 2.804 -0.910 -0.411
156 H LYS 25 HN LYS 25 3.435 -4.208 1.352
157 HA LYS 25 HA LYS 25 6.168 -3.280 1.232
158 HB2 LYS 25 2HB LYS 25 4.878 -5.284 3.069
159 HB3 LYS 25 1HB LYS 25 6.495 -4.631 3.272
160 HG2 LYS 25 2HG LYS 25 5.573 -2.406 3.604
161 HG3 LYS 25 1HG LYS 25 3.946 -3.032 3.339
162 HD2 LYS 25 2HD LYS 25 5.815 -3.720 5.611
163 HD3 LYS 25 1HD LYS 25 4.310 -2.802 5.716
164 HE2 LYS 25 2HE LYS 25 3.143 -4.866 4.841
165 HE3 LYS 25 1HE LYS 25 4.683 -5.697 5.060
166 HZ1 LYS 25 1HZ LYS 25 3.009 -4.417 7.106
167 HZ2 LYS 25 2HZ LYS 25 4.534 -5.057 7.471
168 HZ3 LYS 25 3HZ LYS 25 3.269 -6.067 6.952
169 H ASN 26 HN ASN 26 4.526 -6.387 0.803
170 HA ASN 26 HA ASN 26 6.982 -7.837 0.467
171 HB2 ASN 26 2HB ASN 26 4.131 -8.692 0.003
172 HB3 ASN 26 1HB ASN 26 5.508 -9.767 -0.124
173 HD21 ASN 26 1HD2 ASN 26 3.244 -9.966 1.591
174 HD22 ASN 26 2HD2 ASN 26 3.802 -9.964 3.198
175 H LYS 27 HN LYS 27 4.318 -7.069 -1.735
176 HA LYS 27 HA LYS 27 5.781 -8.214 -3.936
177 HB2 LYS 27 2HB LYS 27 3.390 -8.629 -3.745
178 HB3 LYS 27 1HB LYS 27 3.063 -6.908 -3.785
179 HG2 LYS 27 2HG LYS 27 2.536 -7.950 -5.910
180 HG3 LYS 27 1HG LYS 27 3.867 -6.808 -6.088
181 HD2 LYS 27 2HD LYS 27 5.464 -8.650 -6.059
182 HD3 LYS 27 1HD LYS 27 4.146 -9.806 -5.841
183 HE2 LYS 27 2HE LYS 27 3.215 -9.199 -7.981
184 HE3 LYS 27 1HE LYS 27 4.423 -7.936 -8.180
185 HZ1 LYS 27 1HZ LYS 27 6.133 -9.654 -8.228
186 HZ2 LYS 27 2HZ LYS 27 4.996 -9.878 -9.447
187 HZ3 LYS 27 3HZ LYS 27 4.957 -10.856 -8.075
188 H GLU 28 HN GLU 28 4.576 -5.007 -2.995
189 HA GLU 28 HA GLU 28 5.864 -3.955 -5.348
190 HB2 GLU 28 2HB GLU 28 4.208 -2.518 -3.293
191 HB3 GLU 28 1HB GLU 28 4.880 -1.768 -4.737
192 HG2 GLU 28 2HG GLU 28 3.656 -3.640 -6.003
193 HG3 GLU 28 1HG GLU 28 2.765 -3.854 -4.510
194 H HIS 29 HN HIS 29 6.839 -4.504 -2.246
195 HA HIS 29 HA HIS 29 8.725 -3.998 -1.066
196 HB2 HIS 29 2HB HIS 29 9.704 -3.080 -3.784
197 HB3 HIS 29 1HB HIS 29 10.736 -3.207 -2.368
198 HD1 HIS 29 1HD HIS 29 9.767 -5.101 -5.278
199 HD2 HIS 29 2HD HIS 29 10.660 -5.987 -1.320
200 HE1 HIS 29 1HE HIS 29 10.420 -7.524 -5.250
201 H LEU 30 HN LEU 30 6.673 -2.130 -1.000
202 HA LEU 30 HA LEU 30 7.994 0.470 -0.964
203 HB2 LEU 30 2HB LEU 30 5.125 -0.176 -0.276
204 HB3 LEU 30 1HB LEU 30 5.791 1.397 -0.660
205 HG LEU 30 HG LEU 30 5.313 -0.901 -2.537
206 HD11 LEU 30 1HD1 LEU 30 4.109 1.843 -2.436
207 HD12 LEU 30 2HD1 LEU 30 3.332 0.316 -2.027
208 HD13 LEU 30 3HD1 LEU 30 3.822 0.633 -3.686
209 HD21 LEU 30 1HD2 LEU 30 6.126 0.587 -4.354
210 HD22 LEU 30 2HD2 LEU 30 7.381 0.081 -3.233
211 HD23 LEU 30 3HD2 LEU 30 6.724 1.707 -3.126
212 H ARG 31 HN ARG 31 6.961 1.758 1.183
213 HA ARG 31 HA ARG 31 8.395 0.491 3.313
214 HB2 ARG 31 2HB ARG 31 8.424 2.947 3.055
215 HB3 ARG 31 1HB ARG 31 6.692 2.998 3.346
216 HG2 ARG 31 2HG ARG 31 7.097 2.044 5.608
217 HG3 ARG 31 1HG ARG 31 8.828 2.171 5.304
218 HD2 ARG 31 2HD ARG 31 8.560 4.612 4.995
219 HD3 ARG 31 1HD ARG 31 6.846 4.447 5.374
220 HE ARG 31 HE ARG 31 8.715 3.426 7.330
221 HH11 ARG 31 1HH1 ARG 31 6.644 6.178 6.432
222 HH12 ARG 31 2HH1 ARG 31 6.594 6.787 8.026
223 HH21 ARG 31 1HH2 ARG 31 8.661 4.347 9.453
224 HH22 ARG 31 2HH2 ARG 31 7.768 5.780 9.740
225 H SER 32 HN SER 32 5.001 1.469 2.855
226 HA SER 32 HA SER 32 4.046 -0.803 4.310
227 HB2 SER 32 2HB SER 32 2.816 0.750 5.932
228 HB3 SER 32 1HB SER 32 4.552 0.577 6.208
229 HG SER 32 HG SER 32 3.483 2.793 6.131
230 H GLY 33 HN GLY 33 1.564 -0.627 4.343
231 HA2 GLY 33 2HA GLY 33 0.663 0.976 2.044
232 HA3 GLY 33 1HA GLY 33 0.094 -0.662 2.266
233 H ARG 34 HN ARG 34 -1.210 2.111 2.294
234 HA ARG 34 HA ARG 34 -2.540 1.785 4.876
235 HB2 ARG 34 2HB ARG 34 -1.774 4.383 3.550
236 HB3 ARG 34 1HB ARG 34 -2.704 4.227 5.033
237 HG2 ARG 34 2HG ARG 34 -0.804 3.239 6.161
238 HG3 ARG 34 1HG ARG 34 0.132 3.280 4.667
239 HD2 ARG 34 2HD ARG 34 0.739 5.135 6.099
240 HD3 ARG 34 1HD ARG 34 -0.052 5.717 4.636
241 HE ARG 34 HE ARG 34 -1.767 5.306 6.904
242 HH11 ARG 34 1HH1 ARG 34 0.049 7.610 4.945
243 HH12 ARG 34 2HH1 ARG 34 -0.562 8.987 5.736
244 HH21 ARG 34 1HH2 ARG 34 -2.743 7.203 7.887
245 HH22 ARG 34 2HH2 ARG 34 -2.218 8.751 7.408
246 H CYS 35 HN CYS 35 -4.700 2.167 4.892
247 HA CYS 35 HA CYS 35 -5.958 2.311 2.243
248 HB2 CYS 35 2HB CYS 35 -7.110 1.288 4.839
249 HB3 CYS 35 1HB CYS 35 -7.796 1.111 3.223
250 H ARG 36 HN ARG 36 -6.451 4.253 1.820
251 HA ARG 36 HA ARG 36 -7.163 6.148 3.878
252 HB2 ARG 36 2HB ARG 36 -7.003 6.395 0.903
253 HB3 ARG 36 1HB ARG 36 -7.176 7.760 2.015
254 HG2 ARG 36 2HG ARG 36 -4.836 5.876 1.784
255 HG3 ARG 36 1HG ARG 36 -4.877 7.525 1.165
256 HD2 ARG 36 2HD ARG 36 -5.019 6.672 4.064
257 HD3 ARG 36 1HD ARG 36 -3.606 7.328 3.254
258 HE ARG 36 HE ARG 36 -6.090 8.864 3.575
259 HH11 ARG 36 1HH1 ARG 36 -2.484 8.772 3.652
260 HH12 ARG 36 2HH1 ARG 36 -2.385 10.262 4.464
261 HH21 ARG 36 1HH2 ARG 36 -5.816 10.960 4.632
262 HH22 ARG 36 2HH2 ARG 36 -4.246 11.509 4.987
263 H ASP 37 HN ASP 37 -9.072 7.682 2.948
264 HA ASP 37 HA ASP 37 -11.427 6.328 3.577
265 HB2 ASP 37 2HB ASP 37 -11.145 8.728 3.909
266 HB3 ASP 37 1HB ASP 37 -11.135 8.976 2.169
267 H ASP 38 HN ASP 38 -10.069 6.958 0.425
268 HA ASP 38 HA ASP 38 -12.482 6.224 -0.995
269 HB2 ASP 38 2HB ASP 38 -9.657 6.548 -2.035
270 HB3 ASP 38 1HB ASP 38 -11.045 6.195 -3.050
271 H PHE 39 HN PHE 39 -10.363 4.453 0.709
272 HA PHE 39 HA PHE 39 -9.867 2.348 0.979
273 HB2 PHE 39 2HB PHE 39 -12.275 1.903 -0.753
274 HB3 PHE 39 1HB PHE 39 -11.332 0.554 -0.122
275 HD1 PHE 39 1HD PHE 39 -11.119 0.222 2.295
276 HD2 PHE 39 2HD PHE 39 -13.731 3.154 0.658
277 HE1 PHE 39 1HE PHE 39 -12.280 0.382 4.449
278 HE2 PHE 39 2HE PHE 39 -14.896 3.313 2.803
279 HZ PHE 39 HZ PHE 39 -14.170 1.930 4.703
280 H ARG 40 HN ARG 40 -9.183 3.780 -1.750
281 HA ARG 40 HA ARG 40 -7.884 1.527 -2.971
282 HB2 ARG 40 2HB ARG 40 -8.631 3.464 -4.378
283 HB3 ARG 40 1HB ARG 40 -7.516 4.505 -3.501
284 HG2 ARG 40 2HG ARG 40 -6.547 3.926 -5.614
285 HG3 ARG 40 1HG ARG 40 -5.674 3.111 -4.307
286 HD2 ARG 40 2HD ARG 40 -6.984 1.070 -4.755
287 HD3 ARG 40 1HD ARG 40 -7.698 1.881 -6.153
288 HE ARG 40 HE ARG 40 -5.153 2.184 -6.680
289 HH11 ARG 40 1HH1 ARG 40 -7.010 -0.715 -5.769
290 HH12 ARG 40 2HH1 ARG 40 -5.822 -1.786 -6.348
291 HH21 ARG 40 1HH2 ARG 40 -3.536 0.640 -7.483
292 HH22 ARG 40 2HH2 ARG 40 -3.864 -1.028 -7.342
293 H CYS 41 HN CYS 41 -5.632 1.146 -2.833
294 HA CYS 41 HA CYS 41 -4.602 1.892 -0.301
295 HB2 CYS 41 2HB CYS 41 -3.596 0.079 -2.450
296 HB3 CYS 41 1HB CYS 41 -2.651 0.447 -1.009
297 H TRP 42 HN TRP 42 -3.648 3.627 0.092
298 HA TRP 42 HA TRP 42 -1.793 4.781 -1.837
299 HB2 TRP 42 2HB TRP 42 -3.363 5.841 0.456
300 HB3 TRP 42 1HB TRP 42 -1.735 6.458 0.321
301 HD1 TRP 42 1HD TRP 42 -1.259 8.192 -1.593
302 HE1 TRP 42 1HE TRP 42 -2.816 9.646 -3.064
303 HE3 TRP 42 3HE TRP 42 -5.654 5.690 -0.885
304 HZ2 TRP 42 2HZ TRP 42 -5.524 9.718 -3.807
305 HZ3 TRP 42 3HZ TRP 42 -7.670 6.516 -2.001
306 HH2 TRP 42 2HH TRP 42 -7.609 8.480 -3.436
307 H CYS 43 HN CYS 43 0.032 3.735 -1.582
308 HA CYS 43 HA CYS 43 0.740 2.883 1.099
309 HB2 CYS 43 2HB CYS 43 1.661 1.865 -1.595
310 HB3 CYS 43 1HB CYS 43 2.207 1.246 -0.032
311 H THR 44 HN THR 44 2.650 3.463 1.980
312 HA THR 44 HA THR 44 3.829 5.868 0.964
313 HB THR 44 HB THR 44 4.682 4.163 3.320
314 HG1 THR 44 1HG THR 44 2.481 5.929 3.029
315 HG21 THR 44 1HG2 THR 44 6.267 5.919 2.654
316 HG22 THR 44 2HG2 THR 44 5.524 6.302 4.206
317 HG23 THR 44 3HG2 THR 44 4.978 7.121 2.741
318 H LYS 45 HN LYS 45 5.340 5.687 -0.604
319 HA LYS 45 HA LYS 45 6.997 3.289 -0.592
320 HB2 LYS 45 2HB LYS 45 7.237 3.688 -3.042
321 HB3 LYS 45 1HB LYS 45 5.609 3.259 -2.513
322 HG2 LYS 45 2HG LYS 45 5.059 5.694 -2.599
323 HG3 LYS 45 1HG LYS 45 6.631 5.953 -3.351
324 HD2 LYS 45 2HD LYS 45 4.443 4.167 -4.423
325 HD3 LYS 45 1HD LYS 45 4.820 5.789 -4.998
326 HE2 LYS 45 2HE LYS 45 7.047 5.031 -5.677
327 HE3 LYS 45 1HE LYS 45 6.681 3.413 -5.079
328 HZ1 LYS 45 1HZ LYS 45 4.911 3.249 -6.709
329 HZ2 LYS 45 2HZ LYS 45 6.364 3.549 -7.460
330 HZ3 LYS 45 3HZ LYS 45 5.241 4.795 -7.279
331 H ASN 46 HN ASN 46 9.159 3.559 -1.445
332 HA ASN 46 HA ASN 46 10.287 5.957 -0.322
333 HB2 ASN 46 2HB ASN 46 11.649 3.509 -1.491
334 HB3 ASN 46 1HB ASN 46 12.484 4.865 -0.745
335 HD21 ASN 46 1HD2 ASN 46 10.583 2.044 -0.197
336 HD22 ASN 46 2HD2 ASN 46 10.765 1.974 1.515
337 H CYS 47 HN CYS 47 10.840 7.613 -1.410
338 HA CYS 47 HA CYS 47 10.929 7.422 -4.320
339 HB2 CYS 47 2HB CYS 47 9.580 9.634 -2.731
340 HB3 CYS 47 1HB CYS 47 9.542 9.407 -4.482
Start of MODEL 20
1 H1 LYS 1 1HT LYS 1 12.602 11.234 1.382
2 H2 LYS 1 2HT LYS 1 12.480 12.848 1.909
3 H3 LYS 1 3HT LYS 1 11.516 12.272 0.638
4 HA LYS 1 HA LYS 1 11.368 11.261 3.383
5 HB2 LYS 1 2HB LYS 1 9.575 13.139 1.829
6 HB3 LYS 1 1HB LYS 1 9.044 12.306 3.271
7 HG2 LYS 1 2HG LYS 1 10.789 13.429 4.546
8 HG3 LYS 1 1HG LYS 1 11.281 14.265 3.071
9 HD2 LYS 1 2HD LYS 1 9.062 15.287 2.901
10 HD3 LYS 1 1HD LYS 1 8.550 14.428 4.348
11 HE2 LYS 1 2HE LYS 1 10.749 16.488 4.203
12 HE3 LYS 1 1HE LYS 1 9.126 16.761 4.827
13 HZ1 LYS 1 1HZ LYS 1 11.161 14.921 5.970
14 HZ2 LYS 1 2HZ LYS 1 9.580 15.054 6.516
15 HZ3 LYS 1 3HZ LYS 1 10.613 16.364 6.649
16 H THR 2 HN THR 2 8.764 10.553 3.251
17 HA THR 2 HA THR 2 8.854 8.300 1.468
18 HB THR 2 HB THR 2 6.701 7.773 2.762
19 HG1 THR 2 1HG THR 2 6.788 8.889 4.870
20 HG21 THR 2 1HG2 THR 2 8.835 6.666 3.144
21 HG22 THR 2 2HG2 THR 2 7.993 6.946 4.671
22 HG23 THR 2 3HG2 THR 2 9.340 7.984 4.197
23 H CYS 3 HN CYS 3 7.338 7.886 -0.060
24 HA CYS 3 HA CYS 3 5.530 10.091 -0.775
25 HB2 CYS 3 2HB CYS 3 6.789 8.031 -2.602
26 HB3 CYS 3 1HB CYS 3 5.762 9.371 -3.099
27 H GLU 4 HN GLU 4 3.476 9.547 -0.439
28 HA GLU 4 HA GLU 4 2.752 6.717 -0.391
29 HB2 GLU 4 2HB GLU 4 2.301 8.148 1.624
30 HB3 GLU 4 1HB GLU 4 1.216 9.114 0.638
31 HG2 GLU 4 2HG GLU 4 -0.204 7.195 0.294
32 HG3 GLU 4 1HG GLU 4 0.885 6.186 1.250
33 H ASN 5 HN ASN 5 1.990 6.031 -2.244
34 HA ASN 5 HA ASN 5 0.170 7.696 -3.818
35 HB2 ASN 5 2HB ASN 5 1.363 7.180 -5.903
36 HB3 ASN 5 1HB ASN 5 2.394 8.079 -4.800
37 HD21 ASN 5 1HD2 ASN 5 1.916 5.128 -6.489
38 HD22 ASN 5 2HD2 ASN 5 3.415 4.394 -6.069
39 H LEU 6 HN LEU 6 -0.700 6.301 -5.673
40 HA LEU 6 HA LEU 6 -2.053 4.216 -4.346
41 HB2 LEU 6 2HB LEU 6 -2.062 5.098 -7.186
42 HB3 LEU 6 1HB LEU 6 -3.085 3.802 -6.585
43 HG LEU 6 HG LEU 6 -3.151 6.682 -5.680
44 HD11 LEU 6 1HD1 LEU 6 -4.093 6.271 -7.936
45 HD12 LEU 6 2HD1 LEU 6 -5.295 6.714 -6.709
46 HD13 LEU 6 3HD1 LEU 6 -5.139 5.033 -7.205
47 HD21 LEU 6 1HD2 LEU 6 -4.785 4.299 -4.908
48 HD22 LEU 6 2HD2 LEU 6 -5.169 5.967 -4.498
49 HD23 LEU 6 3HD2 LEU 6 -3.709 5.224 -3.856
50 H ALA 7 HN ALA 7 -2.167 2.130 -4.627
51 HA ALA 7 HA ALA 7 0.168 0.692 -5.437
52 HB1 ALA 7 1HB ALA 7 -1.147 -1.283 -4.816
53 HB2 ALA 7 2HB ALA 7 -2.582 -0.268 -4.651
54 HB3 ALA 7 3HB ALA 7 -1.215 -0.045 -3.561
55 H ASP 8 HN ASP 8 0.454 -0.459 -7.268
56 HA ASP 8 HA ASP 8 -1.353 0.168 -9.460
57 HB2 ASP 8 2HB ASP 8 0.977 0.609 -9.867
58 HB3 ASP 8 1HB ASP 8 1.406 -1.047 -9.452
59 H THR 9 HN THR 9 0.131 -2.782 -8.039
60 HA THR 9 HA THR 9 -1.540 -4.261 -9.881
61 HB THR 9 HB THR 9 0.867 -4.903 -9.678
62 HG1 THR 9 1HG THR 9 -0.718 -6.409 -10.368
63 HG21 THR 9 1HG2 THR 9 0.045 -5.924 -6.961
64 HG22 THR 9 2HG2 THR 9 1.138 -4.576 -7.268
65 HG23 THR 9 3HG2 THR 9 1.603 -6.214 -7.742
66 H TYR 10 HN TYR 10 -1.986 -3.044 -6.921
67 HA TYR 10 HA TYR 10 -3.319 -5.223 -5.637
68 HB2 TYR 10 2HB TYR 10 -2.440 -3.259 -4.374
69 HB3 TYR 10 1HB TYR 10 -3.668 -2.254 -5.130
70 HD1 TYR 10 1HD TYR 10 -3.082 -4.976 -2.721
71 HD2 TYR 10 2HD TYR 10 -5.949 -2.289 -4.334
72 HE1 TYR 10 1HE TYR 10 -4.616 -5.530 -0.892
73 HE2 TYR 10 2HE TYR 10 -7.488 -2.834 -2.528
74 HH TYR 10 HH TYR 10 -7.916 -4.539 -0.941
75 H LYS 11 HN LYS 11 -5.090 -6.116 -6.436
76 HA LYS 11 HA LYS 11 -6.890 -4.456 -7.973
77 HB2 LYS 11 2HB LYS 11 -6.062 -6.486 -9.037
78 HB3 LYS 11 1HB LYS 11 -6.707 -7.451 -7.721
79 HG2 LYS 11 2HG LYS 11 -8.953 -6.785 -8.294
80 HG3 LYS 11 1HG LYS 11 -8.335 -5.752 -9.581
81 HD2 LYS 11 2HD LYS 11 -8.019 -8.750 -9.434
82 HD3 LYS 11 1HD LYS 11 -9.190 -7.887 -10.430
83 HE2 LYS 11 2HE LYS 11 -7.236 -6.723 -11.510
84 HE3 LYS 11 1HE LYS 11 -6.198 -7.837 -10.642
85 HZ1 LYS 11 1HZ LYS 11 -7.219 -9.704 -11.753
86 HZ2 LYS 11 2HZ LYS 11 -6.695 -8.605 -12.913
87 HZ3 LYS 11 3HZ LYS 11 -8.323 -8.694 -12.515
88 H GLY 12 HN GLY 12 -8.720 -3.841 -7.172
89 HA2 GLY 12 2HA GLY 12 -10.787 -4.258 -6.128
90 HA3 GLY 12 1HA GLY 12 -9.979 -5.379 -5.034
91 HA PRO 13 HA PRO 13 -10.006 -1.307 -2.903
92 HB2 PRO 13 2HB PRO 13 -12.215 -1.916 -1.252
93 HB3 PRO 13 1HB PRO 13 -12.189 -0.764 -2.586
94 HG2 PRO 13 2HG PRO 13 -13.653 -3.143 -2.515
95 HG3 PRO 13 1HG PRO 13 -13.294 -2.191 -3.965
96 HD2 PRO 13 2HD PRO 13 -11.956 -4.647 -2.919
97 HD3 PRO 13 1HD PRO 13 -12.259 -4.154 -4.600
98 H CYS 14 HN CYS 14 -9.813 -0.980 -0.545
99 HA CYS 14 HA CYS 14 -8.436 -3.197 0.673
100 HB2 CYS 14 2HB CYS 14 -7.311 -1.097 0.814
101 HB3 CYS 14 1HB CYS 14 -8.750 -0.298 1.439
102 H PHE 15 HN PHE 15 -9.436 -4.533 1.911
103 HA PHE 15 HA PHE 15 -11.714 -3.603 3.492
104 HB2 PHE 15 2HB PHE 15 -10.922 -6.439 2.744
105 HB3 PHE 15 1HB PHE 15 -12.316 -5.992 3.721
106 HD1 PHE 15 1HD PHE 15 -11.118 -6.597 0.425
107 HD2 PHE 15 2HD PHE 15 -14.072 -4.477 2.639
108 HE1 PHE 15 1HE PHE 15 -12.488 -6.378 -1.605
109 HE2 PHE 15 2HE PHE 15 -15.438 -4.258 0.621
110 HZ PHE 15 HZ PHE 15 -14.653 -5.208 -1.509
111 H THR 16 HN THR 16 -8.707 -5.453 3.572
112 HA THR 16 HA THR 16 -8.602 -5.055 6.469
113 HB THR 16 HB THR 16 -7.013 -7.019 4.835
114 HG1 THR 16 1HG THR 16 -8.578 -8.476 5.107
115 HG21 THR 16 1HG2 THR 16 -6.124 -6.507 7.053
116 HG22 THR 16 2HG2 THR 16 -6.725 -8.165 7.000
117 HG23 THR 16 3HG2 THR 16 -7.680 -6.907 7.781
118 H THR 17 HN THR 17 -7.311 -3.334 6.860
119 HA THR 17 HA THR 17 -5.667 -2.104 4.975
120 HB THR 17 HB THR 17 -5.610 -1.829 7.989
121 HG1 THR 17 1HG THR 17 -7.386 -1.117 6.048
122 HG21 THR 17 1HG2 THR 17 -4.697 0.092 5.823
123 HG22 THR 17 2HG2 THR 17 -3.630 -0.813 6.896
124 HG23 THR 17 3HG2 THR 17 -4.703 0.422 7.557
125 H GLY 18 HN GLY 18 -4.864 -4.481 7.451
126 HA2 GLY 18 2HA GLY 18 -2.062 -4.266 7.255
127 HA3 GLY 18 1HA GLY 18 -2.971 -5.615 7.927
128 H SER 19 HN SER 19 -4.468 -5.991 5.416
129 HA SER 19 HA SER 19 -2.618 -7.744 4.128
130 HB2 SER 19 2HB SER 19 -5.061 -8.270 4.344
131 HB3 SER 19 1HB SER 19 -5.414 -6.921 3.269
132 HG SER 19 HG SER 19 -4.113 -9.352 2.710
133 H CYS 20 HN CYS 20 -4.088 -4.635 3.509
134 HA CYS 20 HA CYS 20 -3.099 -4.190 0.919
135 HB2 CYS 20 2HB CYS 20 -4.915 -2.875 1.812
136 HB3 CYS 20 1HB CYS 20 -3.910 -2.306 3.135
137 H ASP 21 HN ASP 21 -1.850 -3.271 4.130
138 HA ASP 21 HA ASP 21 0.488 -1.989 3.271
139 HB2 ASP 21 2HB ASP 21 -0.245 -1.708 5.522
140 HB3 ASP 21 1HB ASP 21 -0.155 -3.424 5.874
141 H ASP 22 HN ASP 22 -0.136 -5.342 4.086
142 HA ASP 22 HA ASP 22 2.429 -6.429 3.710
143 HB2 ASP 22 2HB ASP 22 0.545 -7.677 4.712
144 HB3 ASP 22 1HB ASP 22 -0.256 -7.656 3.155
145 H HIS 23 HN HIS 23 -0.225 -5.890 1.455
146 HA HIS 23 HA HIS 23 0.933 -7.118 -0.791
147 HB2 HIS 23 2HB HIS 23 -1.493 -6.592 -0.573
148 HB3 HIS 23 1HB HIS 23 -1.111 -4.883 -0.696
149 HD1 HIS 23 1HD HIS 23 -1.852 -7.848 -2.747
150 HD2 HIS 23 2HD HIS 23 -0.101 -4.119 -3.282
151 HE1 HIS 23 1HE HIS 23 -1.827 -7.422 -5.238
152 H CYS 24 HN CYS 24 0.877 -3.755 0.311
153 HA CYS 24 HA CYS 24 2.265 -2.662 -1.801
154 HB2 CYS 24 2HB CYS 24 2.203 -1.792 1.082
155 HB3 CYS 24 1HB CYS 24 2.893 -0.831 -0.216
156 H LYS 25 HN LYS 25 3.528 -4.355 1.012
157 HA LYS 25 HA LYS 25 6.246 -3.591 0.445
158 HB2 LYS 25 2HB LYS 25 5.180 -5.715 2.293
159 HB3 LYS 25 1HB LYS 25 6.850 -5.177 2.218
160 HG2 LYS 25 2HG LYS 25 6.148 -2.933 2.878
161 HG3 LYS 25 1HG LYS 25 4.479 -3.500 2.978
162 HD2 LYS 25 2HD LYS 25 5.186 -5.145 4.677
163 HD3 LYS 25 1HD LYS 25 6.814 -4.469 4.610
164 HE2 LYS 25 2HE LYS 25 5.967 -2.301 5.297
165 HE3 LYS 25 1HE LYS 25 4.328 -2.939 5.327
166 HZ1 LYS 25 1HZ LYS 25 5.221 -2.865 7.517
167 HZ2 LYS 25 2HZ LYS 25 6.569 -3.765 7.075
168 HZ3 LYS 25 3HZ LYS 25 5.029 -4.482 7.070
169 H ASN 26 HN ASN 26 4.270 -6.417 -0.149
170 HA ASN 26 HA ASN 26 6.589 -7.845 -1.191
171 HB2 ASN 26 2HB ASN 26 3.752 -8.770 -0.847
172 HB3 ASN 26 1HB ASN 26 5.033 -9.769 -1.519
173 HD21 ASN 26 1HD2 ASN 26 3.685 -8.369 1.326
174 HD22 ASN 26 2HD2 ASN 26 4.683 -9.185 2.456
175 H LYS 27 HN LYS 27 3.449 -6.789 -2.438
176 HA LYS 27 HA LYS 27 4.135 -7.812 -5.055
177 HB2 LYS 27 2HB LYS 27 1.672 -6.355 -4.111
178 HB3 LYS 27 1HB LYS 27 1.872 -7.124 -5.675
179 HG2 LYS 27 2HG LYS 27 1.890 -8.550 -3.017
180 HG3 LYS 27 1HG LYS 27 0.524 -8.469 -4.126
181 HD2 LYS 27 2HD LYS 27 1.890 -9.593 -5.836
182 HD3 LYS 27 1HD LYS 27 3.209 -9.730 -4.672
183 HE2 LYS 27 2HE LYS 27 1.987 -11.822 -4.780
184 HE3 LYS 27 1HE LYS 27 1.750 -11.062 -3.209
185 HZ1 LYS 27 1HZ LYS 27 -0.315 -11.946 -4.073
186 HZ2 LYS 27 2HZ LYS 27 -0.182 -11.042 -5.471
187 HZ3 LYS 27 3HZ LYS 27 -0.435 -10.269 -4.001
188 H GLU 28 HN GLU 28 3.439 -4.680 -3.574
189 HA GLU 28 HA GLU 28 4.137 -3.267 -5.982
190 HB2 GLU 28 2HB GLU 28 3.623 -2.289 -3.176
191 HB3 GLU 28 1HB GLU 28 3.950 -1.240 -4.538
192 HG2 GLU 28 2HG GLU 28 1.644 -3.160 -4.479
193 HG3 GLU 28 1HG GLU 28 1.533 -1.483 -3.944
194 H HIS 29 HN HIS 29 5.754 -4.493 -3.258
195 HA HIS 29 HA HIS 29 7.934 -4.660 -2.637
196 HB2 HIS 29 2HB HIS 29 8.462 -3.415 -5.345
197 HB3 HIS 29 1HB HIS 29 9.724 -3.958 -4.255
198 HD1 HIS 29 1HD HIS 29 10.169 -6.499 -4.157
199 HD2 HIS 29 2HD HIS 29 6.989 -5.420 -6.596
200 HE1 HIS 29 1HE HIS 29 9.629 -8.537 -5.538
201 H LEU 30 HN LEU 30 6.389 -2.353 -1.871
202 HA LEU 30 HA LEU 30 8.465 -0.288 -1.793
203 HB2 LEU 30 2HB LEU 30 5.518 -0.015 -1.246
204 HB3 LEU 30 1HB LEU 30 6.683 1.289 -1.324
205 HG LEU 30 HG LEU 30 5.742 -0.442 -3.604
206 HD11 LEU 30 1HD1 LEU 30 4.858 1.625 -4.512
207 HD12 LEU 30 2HD1 LEU 30 5.347 2.483 -3.049
208 HD13 LEU 30 3HD1 LEU 30 4.136 1.202 -2.967
209 HD21 LEU 30 1HD2 LEU 30 7.831 1.755 -3.654
210 HD22 LEU 30 2HD2 LEU 30 7.118 0.992 -5.068
211 HD23 LEU 30 3HD2 LEU 30 8.091 0.036 -3.957
212 H ARG 31 HN ARG 31 8.079 1.144 0.255
213 HA ARG 31 HA ARG 31 9.024 -0.201 2.488
214 HB2 ARG 31 2HB ARG 31 9.466 2.119 2.228
215 HB3 ARG 31 1HB ARG 31 7.759 2.505 2.150
216 HG2 ARG 31 2HG ARG 31 7.552 1.858 4.533
217 HG3 ARG 31 1HG ARG 31 9.302 1.611 4.578
218 HD2 ARG 31 2HD ARG 31 9.678 3.930 3.995
219 HD3 ARG 31 1HD ARG 31 7.956 4.178 3.782
220 HE ARG 31 HE ARG 31 7.847 3.544 6.238
221 HH11 ARG 31 1HH1 ARG 31 10.584 5.333 4.812
222 HH12 ARG 31 2HH1 ARG 31 10.841 6.294 6.181
223 HH21 ARG 31 1HH2 ARG 31 8.205 4.922 8.103
224 HH22 ARG 31 2HH2 ARG 31 9.470 6.063 8.094
225 H SER 32 HN SER 32 5.748 1.198 2.083
226 HA SER 32 HA SER 32 4.541 -0.900 3.648
227 HB2 SER 32 2HB SER 32 4.646 1.938 4.728
228 HB3 SER 32 1HB SER 32 3.646 0.646 5.393
229 HG SER 32 HG SER 32 6.197 -0.143 5.098
230 H GLY 33 HN GLY 33 2.052 0.243 4.173
231 HA2 GLY 33 2HA GLY 33 1.230 2.006 2.161
232 HA3 GLY 33 1HA GLY 33 0.772 0.339 1.766
233 H ARG 34 HN ARG 34 -1.161 2.226 2.183
234 HA ARG 34 HA ARG 34 -2.448 1.090 4.484
235 HB2 ARG 34 2HB ARG 34 -2.991 3.227 5.507
236 HB3 ARG 34 1HB ARG 34 -1.258 2.976 5.474
237 HG2 ARG 34 2HG ARG 34 -0.953 4.519 3.764
238 HG3 ARG 34 1HG ARG 34 -2.681 4.596 3.391
239 HD2 ARG 34 2HD ARG 34 -1.341 5.551 5.923
240 HD3 ARG 34 1HD ARG 34 -2.003 6.568 4.639
241 HE ARG 34 HE ARG 34 -3.997 4.820 5.633
242 HH11 ARG 34 1HH1 ARG 34 -2.233 7.708 6.605
243 HH12 ARG 34 2HH1 ARG 34 -3.470 8.333 7.569
244 HH21 ARG 34 1HH2 ARG 34 -5.704 5.630 6.953
245 HH22 ARG 34 2HH2 ARG 34 -5.523 7.096 7.778
246 H CYS 35 HN CYS 35 -4.677 2.325 4.669
247 HA CYS 35 HA CYS 35 -5.750 2.420 1.939
248 HB2 CYS 35 2HB CYS 35 -7.184 1.608 4.472
249 HB3 CYS 35 1HB CYS 35 -7.728 1.386 2.808
250 H ARG 36 HN ARG 36 -7.012 4.116 1.445
251 HA ARG 36 HA ARG 36 -7.311 6.118 3.549
252 HB2 ARG 36 2HB ARG 36 -6.903 6.450 0.609
253 HB3 ARG 36 1HB ARG 36 -7.482 7.773 1.620
254 HG2 ARG 36 2HG ARG 36 -4.847 6.318 1.888
255 HG3 ARG 36 1HG ARG 36 -5.080 7.941 1.241
256 HD2 ARG 36 2HD ARG 36 -5.560 7.021 4.084
257 HD3 ARG 36 1HD ARG 36 -4.300 8.102 3.514
258 HE ARG 36 HE ARG 36 -6.950 9.030 2.930
259 HH11 ARG 36 1HH1 ARG 36 -4.294 9.235 5.250
260 HH12 ARG 36 2HH1 ARG 36 -4.966 10.498 6.145
261 HH21 ARG 36 1HH2 ARG 36 -7.905 10.737 4.136
262 HH22 ARG 36 2HH2 ARG 36 -7.070 11.416 5.460
263 H ASP 37 HN ASP 37 -9.084 7.820 2.658
264 HA ASP 37 HA ASP 37 -11.507 6.827 3.474
265 HB2 ASP 37 2HB ASP 37 -11.068 9.196 1.653
266 HB3 ASP 37 1HB ASP 37 -12.443 8.934 2.711
267 H ASP 38 HN ASP 38 -10.229 6.935 0.217
268 HA ASP 38 HA ASP 38 -12.733 6.318 -1.112
269 HB2 ASP 38 2HB ASP 38 -9.912 6.069 -2.175
270 HB3 ASP 38 1HB ASP 38 -11.371 5.889 -3.129
271 H PHE 39 HN PHE 39 -10.782 4.491 0.789
272 HA PHE 39 HA PHE 39 -10.457 2.343 1.232
273 HB2 PHE 39 2HB PHE 39 -12.694 1.874 -0.751
274 HB3 PHE 39 1HB PHE 39 -11.910 0.568 0.126
275 HD1 PHE 39 1HD PHE 39 -14.298 3.275 0.277
276 HD2 PHE 39 2HD PHE 39 -12.135 0.424 2.582
277 HE1 PHE 39 1HE PHE 39 -15.842 3.617 2.157
278 HE2 PHE 39 2HE PHE 39 -13.674 0.769 4.458
279 HZ PHE 39 HZ PHE 39 -15.534 2.370 4.242
280 H ARG 40 HN ARG 40 -9.338 3.761 -1.218
281 HA ARG 40 HA ARG 40 -8.315 1.439 -2.638
282 HB2 ARG 40 2HB ARG 40 -9.016 3.430 -3.963
283 HB3 ARG 40 1HB ARG 40 -7.807 4.397 -3.133
284 HG2 ARG 40 2HG ARG 40 -7.009 3.810 -5.320
285 HG3 ARG 40 1HG ARG 40 -6.064 2.964 -4.092
286 HD2 ARG 40 2HD ARG 40 -7.453 0.952 -4.461
287 HD3 ARG 40 1HD ARG 40 -8.285 1.807 -5.762
288 HE ARG 40 HE ARG 40 -5.691 2.021 -6.422
289 HH11 ARG 40 1HH1 ARG 40 -7.813 -0.788 -5.719
290 HH12 ARG 40 2HH1 ARG 40 -6.912 -1.825 -6.707
291 HH21 ARG 40 1HH2 ARG 40 -4.445 0.472 -7.694
292 HH22 ARG 40 2HH2 ARG 40 -5.026 -1.129 -7.830
293 H CYS 41 HN CYS 41 -6.027 1.042 -2.789
294 HA CYS 41 HA CYS 41 -4.722 1.575 -0.302
295 HB2 CYS 41 2HB CYS 41 -4.172 -0.291 -2.558
296 HB3 CYS 41 1HB CYS 41 -2.937 0.044 -1.347
297 H TRP 42 HN TRP 42 -3.296 2.902 0.097
298 HA TRP 42 HA TRP 42 -1.826 4.266 -2.028
299 HB2 TRP 42 2HB TRP 42 -3.209 5.168 0.391
300 HB3 TRP 42 1HB TRP 42 -1.557 5.737 0.298
301 HD1 TRP 42 1HD TRP 42 -1.005 7.564 -1.556
302 HE1 TRP 42 1HE TRP 42 -2.480 9.179 -2.877
303 HE3 TRP 42 3HE TRP 42 -5.533 5.258 -0.919
304 HZ2 TRP 42 2HZ TRP 42 -5.202 9.459 -3.576
305 HZ3 TRP 42 3HZ TRP 42 -7.524 6.287 -1.950
306 HH2 TRP 42 2HH TRP 42 -7.353 8.332 -3.249
307 H CYS 43 HN CYS 43 0.057 3.250 -2.110
308 HA CYS 43 HA CYS 43 1.195 2.017 0.239
309 HB2 CYS 43 2HB CYS 43 2.110 1.997 -2.636
310 HB3 CYS 43 1HB CYS 43 2.809 1.048 -1.325
311 H THR 44 HN THR 44 3.261 2.549 0.974
312 HA THR 44 HA THR 44 4.090 5.285 0.317
313 HB THR 44 HB THR 44 4.471 3.765 2.895
314 HG1 THR 44 1HG THR 44 2.292 4.929 1.820
315 HG21 THR 44 1HG2 THR 44 6.038 5.621 2.527
316 HG22 THR 44 2HG2 THR 44 4.895 6.018 3.809
317 HG23 THR 44 3HG2 THR 44 4.687 6.706 2.197
318 H LYS 45 HN LYS 45 6.035 5.383 -0.602
319 HA LYS 45 HA LYS 45 7.959 3.247 -0.002
320 HB2 LYS 45 2HB LYS 45 8.925 3.513 -2.230
321 HB3 LYS 45 1HB LYS 45 7.230 3.063 -2.310
322 HG2 LYS 45 2HG LYS 45 6.587 5.242 -2.999
323 HG3 LYS 45 1HG LYS 45 8.187 5.896 -2.634
324 HD2 LYS 45 2HD LYS 45 9.164 4.489 -4.389
325 HD3 LYS 45 1HD LYS 45 7.571 3.829 -4.749
326 HE2 LYS 45 2HE LYS 45 8.250 6.756 -4.938
327 HE3 LYS 45 1HE LYS 45 8.376 5.644 -6.296
328 HZ1 LYS 45 1HZ LYS 45 6.304 6.883 -6.270
329 HZ2 LYS 45 2HZ LYS 45 5.811 6.175 -4.824
330 HZ3 LYS 45 3HZ LYS 45 6.050 5.245 -6.203
331 H ASN 46 HN ASN 46 10.193 3.916 -0.120
332 HA ASN 46 HA ASN 46 10.575 6.568 0.962
333 HB2 ASN 46 2HB ASN 46 12.502 4.291 0.433
334 HB3 ASN 46 1HB ASN 46 13.003 5.853 1.058
335 HD21 ASN 46 1HD2 ASN 46 13.170 3.186 2.214
336 HD22 ASN 46 2HD2 ASN 46 12.387 3.283 3.739
337 H CYS 47 HN CYS 47 11.291 8.259 -0.163
338 HA CYS 47 HA CYS 47 12.181 7.756 -2.883
339 HB2 CYS 47 2HB CYS 47 10.712 10.131 -1.712
340 HB3 CYS 47 1HB CYS 47 11.375 10.085 -3.344