NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
571715 |
2mjk   |
19729 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 3.198 0.926 9.817
2 H2 LEU 1 H2 LEU 1 2.620 2.452 9.393
3 H3 LEU 1 H3 LEU 1 4.281 2.149 9.396
4 HA LEU 1 HA LEU 1 4.270 1.115 7.419
5 HB2 LEU 1 HB2 LEU 1 2.846 -0.671 8.425
6 HB3 LEU 1 HB3 LEU 1 1.427 0.271 8.017
7 HG LEU 1 HG LEU 1 2.002 0.046 5.620
8 HD11 LEU 1 HD11 LEU 1 4.342 -1.385 6.760
9 HD12 LEU 1 HD12 LEU 1 4.243 -0.290 5.382
10 HD13 LEU 1 HD13 LEU 1 3.664 -1.947 5.233
11 HD21 LEU 1 HD21 LEU 1 1.858 -2.640 6.964
12 HD22 LEU 1 HD22 LEU 1 1.218 -2.181 5.386
13 HD23 LEU 1 HD23 LEU 1 0.488 -1.535 6.855
14 H VAL 2 H VAL 2 3.813 3.782 7.813
15 HA VAL 2 HA VAL 2 1.595 4.586 6.110
16 HB VAL 2 HB VAL 2 3.564 6.296 7.632
17 HG11 VAL 2 HG11 VAL 2 2.647 7.512 5.769
18 HG12 VAL 2 HG12 VAL 2 1.886 8.084 7.253
19 HG13 VAL 2 HG13 VAL 2 1.013 6.990 6.181
20 HG21 VAL 2 HG21 VAL 2 0.748 5.454 8.307
21 HG22 VAL 2 HG22 VAL 2 1.677 6.668 9.184
22 HG23 VAL 2 HG23 VAL 2 2.221 4.991 9.159
23 H LEU 3 H LEU 3 1.793 5.409 4.133
24 HA LEU 3 HA LEU 3 4.473 5.672 2.955
25 HB2 LEU 3 HB2 LEU 3 1.862 4.709 1.815
26 HB3 LEU 3 HB3 LEU 3 3.143 5.292 0.785
27 HG LEU 3 HG LEU 3 4.618 3.506 1.622
28 HD11 LEU 3 HD11 LEU 3 2.162 2.624 3.131
29 HD12 LEU 3 HD12 LEU 3 3.699 3.141 3.821
30 HD13 LEU 3 HD13 LEU 3 3.611 1.646 2.893
31 HD21 LEU 3 HD21 LEU 3 2.007 2.953 0.305
32 HD22 LEU 3 HD22 LEU 3 3.086 1.604 0.677
33 HD23 LEU 3 HD23 LEU 3 3.642 2.914 -0.365
34 H LYS 4 H LYS 4 4.893 7.539 1.801
35 HA LYS 4 HA LYS 4 3.403 9.858 2.351
36 HB2 LYS 4 HB2 LYS 4 5.409 9.269 0.165
37 HB3 LYS 4 HB3 LYS 4 4.730 10.862 0.445
38 HG2 LYS 4 HG2 LYS 4 6.926 10.684 1.433
39 HG3 LYS 4 HG3 LYS 4 5.704 10.882 2.688
40 HD2 LYS 4 HD2 LYS 4 5.811 8.566 3.260
41 HD3 LYS 4 HD3 LYS 4 6.819 8.208 1.856
42 HE2 LYS 4 HE2 LYS 4 8.636 9.492 2.781
43 HE3 LYS 4 HE3 LYS 4 7.629 10.017 4.126
44 HZ1 LYS 4 HZ1 LYS 4 8.517 7.243 3.574
45 HZ2 LYS 4 HZ2 LYS 4 7.469 7.686 4.823
46 HZ3 LYS 4 HZ3 LYS 4 9.066 8.241 4.821
47 H TYR 5 H TYR 5 3.384 7.566 -0.250
48 HA TYR 5 HA TYR 5 0.749 8.314 -1.114
49 HB2 TYR 5 HB2 TYR 5 1.566 8.680 -3.510
50 HB3 TYR 5 HB3 TYR 5 1.888 9.988 -2.374
51 HD1 TYR 5 HD1 TYR 5 3.423 7.118 -4.137
52 HD2 TYR 5 HD2 TYR 5 4.106 10.636 -1.846
53 HE1 TYR 5 HE1 TYR 5 5.828 6.959 -4.614
54 HE2 TYR 5 HE2 TYR 5 6.512 10.488 -2.319
55 HH TYR 5 HH TYR 5 7.815 7.938 -4.423
56 H CYS 6 H CYS 6 -0.108 6.755 -2.634
57 HA CYS 6 HA CYS 6 0.862 4.122 -2.161
58 HB2 CYS 6 HB2 CYS 6 -1.550 4.750 -2.443
59 HB3 CYS 6 HB3 CYS 6 -1.234 5.021 -4.151
60 HA PRO 7 HA PRO 7 3.885 4.112 -5.463
61 HB2 PRO 7 HB2 PRO 7 3.691 1.176 -5.140
62 HB3 PRO 7 HB3 PRO 7 5.106 2.225 -5.051
63 HG2 PRO 7 HG2 PRO 7 4.044 1.143 -2.857
64 HG3 PRO 7 HG3 PRO 7 4.714 2.784 -2.843
65 HD2 PRO 7 HD2 PRO 7 1.862 1.899 -2.932
66 HD3 PRO 7 HD3 PRO 7 2.593 3.260 -2.059
67 H LYS 8 H LYS 8 3.665 4.052 -7.613
68 HA LYS 8 HA LYS 8 1.293 3.629 -8.907
69 HB2 LYS 8 HB2 LYS 8 2.572 3.542 -11.001
70 HB3 LYS 8 HB3 LYS 8 3.092 4.843 -9.942
71 HG2 LYS 8 HG2 LYS 8 5.043 3.605 -9.290
72 HG3 LYS 8 HG3 LYS 8 4.495 2.193 -10.198
73 HD2 LYS 8 HD2 LYS 8 4.660 3.425 -12.272
74 HD3 LYS 8 HD3 LYS 8 5.110 4.887 -11.398
75 HE2 LYS 8 HE2 LYS 8 6.701 2.323 -11.458
76 HE3 LYS 8 HE3 LYS 8 7.055 3.764 -12.408
77 HZ1 LYS 8 HZ1 LYS 8 6.834 4.554 -9.748
78 HZ2 LYS 8 HZ2 LYS 8 8.224 4.519 -10.709
79 HZ3 LYS 8 HZ3 LYS 8 7.815 3.179 -9.768
80 H ILE 9 H ILE 9 3.748 1.247 -8.147
81 HA ILE 9 HA ILE 9 2.932 -0.783 -9.887
82 HB ILE 9 HB ILE 9 5.028 -0.953 -8.672
83 HG12 ILE 9 HG12 ILE 9 4.898 -3.303 -7.983
84 HG13 ILE 9 HG13 ILE 9 3.144 -3.193 -7.891
85 HG21 ILE 9 HG21 ILE 9 3.579 -0.166 -6.470
86 HG22 ILE 9 HG22 ILE 9 5.253 -0.715 -6.467
87 HG23 ILE 9 HG23 ILE 9 3.951 -1.854 -6.127
88 HD11 ILE 9 HD11 ILE 9 2.895 -3.184 -10.174
89 HD12 ILE 9 HD12 ILE 9 4.284 -4.249 -9.967
90 HD13 ILE 9 HD13 ILE 9 4.525 -2.573 -10.458
91 H GLY 10 H GLY 10 1.706 0.170 -6.730
92 HA2 GLY 10 HA2 GLY 10 -0.193 -2.060 -6.764
93 HA3 GLY 10 HA3 GLY 10 0.119 -0.986 -5.416
94 H TYR 11 H TYR 11 -2.127 -0.783 -5.180
95 HA TYR 11 HA TYR 11 -3.187 1.475 -6.595
96 HB2 TYR 11 HB2 TYR 11 -5.376 0.305 -7.101
97 HB3 TYR 11 HB3 TYR 11 -4.027 -0.118 -8.141
98 HD1 TYR 11 HD1 TYR 11 -5.488 -1.354 -4.904
99 HD2 TYR 11 HD2 TYR 11 -3.905 -2.319 -8.730
100 HE1 TYR 11 HE1 TYR 11 -5.909 -3.729 -4.474
101 HE2 TYR 11 HE2 TYR 11 -4.331 -4.701 -8.310
102 HH TYR 11 HH TYR 11 -6.330 -5.872 -6.269
103 H CYS 12 H CYS 12 -4.808 2.522 -5.376
104 HA CYS 12 HA CYS 12 -4.791 1.688 -2.587
105 HB2 CYS 12 HB2 CYS 12 -4.165 3.990 -3.180
106 HB3 CYS 12 HB3 CYS 12 -5.760 4.242 -3.872
107 H SER 13 H SER 13 -6.504 1.012 -1.463
108 HA SER 13 HA SER 13 -9.209 1.343 -2.452
109 HB2 SER 13 HB2 SER 13 -8.066 -1.427 -2.000
110 HB3 SER 13 HB3 SER 13 -9.707 -1.033 -2.509
111 HG SER 13 HG SER 13 -7.875 0.116 -4.139
112 H ASN 14 H ASN 14 -10.810 0.595 -0.854
113 HA ASN 14 HA ASN 14 -10.278 1.517 1.704
114 HB2 ASN 14 HB2 ASN 14 -12.437 0.630 2.351
115 HB3 ASN 14 HB3 ASN 14 -12.545 1.329 0.741
116 HD21 ASN 14 HD21 ASN 14 -13.513 0.156 -0.744
117 HD22 ASN 14 HD22 ASN 14 -13.767 -1.553 -0.682
118 H THR 15 H THR 15 -9.925 -1.698 0.392
119 HA THR 15 HA THR 15 -8.429 -2.452 2.757
120 HB THR 15 HB THR 15 -9.636 -4.606 3.019
121 HG1 THR 15 HG1 THR 15 -11.471 -3.363 1.219
122 HG21 THR 15 HG21 THR 15 -10.112 -2.601 4.447
123 HG22 THR 15 HG22 THR 15 -11.442 -3.752 4.330
124 HG23 THR 15 HG23 THR 15 -11.487 -2.257 3.399
125 H CYS 16 H CYS 16 -6.903 -4.036 2.352
126 HA CYS 16 HA CYS 16 -6.601 -4.771 -0.480
127 HB2 CYS 16 HB2 CYS 16 -4.479 -4.455 1.650
128 HB3 CYS 16 HB3 CYS 16 -4.194 -4.836 -0.046
129 H SER 17 H SER 17 -6.071 -6.844 -1.057
130 HA SER 17 HA SER 17 -7.045 -8.939 0.503
131 HB2 SER 17 HB2 SER 17 -6.652 -8.868 -2.034
132 HB3 SER 17 HB3 SER 17 -4.977 -9.280 -1.669
133 HG SER 17 HG SER 17 -7.203 -10.795 -0.762
134 H LYS 18 H LYS 18 -6.021 -10.527 1.731
135 HA LYS 18 HA LYS 18 -4.117 -9.837 3.520
136 HB2 LYS 18 HB2 LYS 18 -4.683 -12.576 2.386
137 HB3 LYS 18 HB3 LYS 18 -3.686 -12.302 3.809
138 HG2 LYS 18 HG2 LYS 18 -6.537 -11.369 3.592
139 HG3 LYS 18 HG3 LYS 18 -6.074 -12.937 4.254
140 HD2 LYS 18 HD2 LYS 18 -4.877 -11.930 6.037
141 HD3 LYS 18 HD3 LYS 18 -4.970 -10.336 5.293
142 HE2 LYS 18 HE2 LYS 18 -7.378 -11.893 6.214
143 HE3 LYS 18 HE3 LYS 18 -6.536 -10.715 7.216
144 HZ1 LYS 18 HZ1 LYS 18 -8.120 -10.264 4.780
145 HZ2 LYS 18 HZ2 LYS 18 -6.927 -9.158 5.230
146 HZ3 LYS 18 HZ3 LYS 18 -8.215 -9.479 6.270
147 H THR 19 H THR 19 -3.468 -11.445 0.412
148 HA THR 19 HA THR 19 -0.713 -11.769 0.747
149 HB THR 19 HB THR 19 -2.105 -12.730 -1.134
150 HG1 THR 19 HG1 THR 19 0.406 -12.234 -1.030
151 HG21 THR 19 HG21 THR 19 -3.213 -10.645 -1.821
152 HG22 THR 19 HG22 THR 19 -2.356 -11.400 -3.163
153 HG23 THR 19 HG23 THR 19 -1.659 -10.001 -2.351
154 H GLN 20 H GLN 20 -2.622 -9.029 -0.273
155 HA GLN 20 HA GLN 20 -0.381 -7.405 -1.004
156 HB2 GLN 20 HB2 GLN 20 -3.246 -6.628 -0.445
157 HB3 GLN 20 HB3 GLN 20 -2.035 -5.599 -1.191
158 HG2 GLN 20 HG2 GLN 20 -1.925 -7.055 -3.110
159 HG3 GLN 20 HG3 GLN 20 -3.046 -8.185 -2.349
160 HE21 GLN 20 HE21 GLN 20 -2.806 -5.733 -4.523
161 HE22 GLN 20 HE22 GLN 20 -4.455 -5.217 -4.547
162 H ILE 21 H ILE 21 0.626 -5.852 0.170
163 HA ILE 21 HA ILE 21 0.375 -5.976 3.035
164 HB ILE 21 HB ILE 21 2.048 -4.156 1.284
165 HG12 ILE 21 HG12 ILE 21 2.802 -6.627 2.866
166 HG13 ILE 21 HG13 ILE 21 2.635 -6.548 1.117
167 HG21 ILE 21 HG21 ILE 21 3.309 -3.652 3.342
168 HG22 ILE 21 HG22 ILE 21 2.134 -4.580 4.272
169 HG23 ILE 21 HG23 ILE 21 1.635 -3.111 3.435
170 HD11 ILE 21 HD11 ILE 21 4.903 -5.973 2.738
171 HD12 ILE 21 HD12 ILE 21 4.446 -4.523 1.846
172 HD13 ILE 21 HD13 ILE 21 4.773 -6.023 0.980
173 H TRP 22 H TRP 22 -0.882 -4.689 4.259
174 HA TRP 22 HA TRP 22 -2.615 -2.782 3.010
175 HB2 TRP 22 HB2 TRP 22 -2.236 -3.680 5.860
176 HB3 TRP 22 HB3 TRP 22 -3.329 -2.363 5.442
177 HD1 TRP 22 HD1 TRP 22 -2.822 -5.900 3.895
178 HE1 TRP 22 HE1 TRP 22 -5.145 -6.990 3.664
179 HE3 TRP 22 HE3 TRP 22 -5.664 -2.155 5.886
180 HZ2 TRP 22 HZ2 TRP 22 -7.831 -6.337 4.257
181 HZ3 TRP 22 HZ3 TRP 22 -8.099 -2.456 6.010
182 HH2 TRP 22 HH2 TRP 22 -9.160 -4.508 5.216
183 H ALA 23 H ALA 23 -0.367 -1.774 2.324
184 HA ALA 23 HA ALA 23 0.919 -0.066 4.164
185 HB1 ALA 23 HB1 ALA 23 1.321 1.047 1.660
186 HB2 ALA 23 HB2 ALA 23 1.092 -0.671 1.338
187 HB3 ALA 23 HB3 ALA 23 2.349 -0.143 2.456
188 H THR 24 H THR 24 -0.143 1.532 5.194
189 HA THR 24 HA THR 24 -2.410 2.828 4.012
190 HB THR 24 HB THR 24 -2.091 4.416 6.024
191 HG1 THR 24 HG1 THR 24 0.219 3.369 6.172
192 HG21 THR 24 HG21 THR 24 -2.947 2.710 7.617
193 HG22 THR 24 HG22 THR 24 -2.548 1.460 6.439
194 HG23 THR 24 HG23 THR 24 -3.765 2.677 6.056
195 H SER 25 H SER 25 -2.060 4.102 2.292
196 HA SER 25 HA SER 25 0.362 5.714 2.168
197 HB2 SER 25 HB2 SER 25 -0.391 6.186 -0.163
198 HB3 SER 25 HB3 SER 25 -0.166 4.471 0.172
199 HG SER 25 HG SER 25 -2.706 5.509 0.628
200 H HIS 26 H HIS 26 0.252 7.619 3.159
201 HA HIS 26 HA HIS 26 -1.993 9.002 3.960
202 HB2 HIS 26 HB2 HIS 26 0.328 9.482 4.711
203 HB3 HIS 26 HB3 HIS 26 0.666 10.204 3.144
204 HD1 HIS 26 HD1 HIS 26 1.225 12.246 4.954
205 HD2 HIS 26 HD2 HIS 26 -2.759 11.347 4.200
206 HE1 HIS 26 HE1 HIS 26 -0.073 14.268 5.681
207 HE2 HIS 26 HE2 HIS 26 -2.484 13.609 5.416
208 H GLY 27 H GLY 27 -0.206 9.190 0.930
209 HA2 GLY 27 HA2 GLY 27 -1.660 11.362 -0.171
210 HA3 GLY 27 HA3 GLY 27 -0.662 10.226 -1.064
211 H CYS 28 H CYS 28 -3.295 9.035 0.880
212 HA CYS 28 HA CYS 28 -5.155 9.058 -1.304
213 HB2 CYS 28 HB2 CYS 28 -3.788 7.090 -1.893
214 HB3 CYS 28 HB3 CYS 28 -4.145 6.388 -0.314
215 H LYS 29 H LYS 29 -7.218 8.431 -0.756
216 HA LYS 29 HA LYS 29 -8.031 9.090 1.854
217 HB2 LYS 29 HB2 LYS 29 -10.279 8.396 1.039
218 HB3 LYS 29 HB3 LYS 29 -9.454 9.499 -0.055
219 HG2 LYS 29 HG2 LYS 29 -8.721 7.464 -1.359
220 HG3 LYS 29 HG3 LYS 29 -9.840 6.537 -0.368
221 HD2 LYS 29 HD2 LYS 29 -10.934 7.104 -2.423
222 HD3 LYS 29 HD3 LYS 29 -11.668 8.043 -1.122
223 HE2 LYS 29 HE2 LYS 29 -10.544 10.018 -1.784
224 HE3 LYS 29 HE3 LYS 29 -9.463 9.130 -2.855
225 HZ1 LYS 29 HZ1 LYS 29 -11.191 10.303 -4.072
226 HZ2 LYS 29 HZ2 LYS 29 -12.385 9.438 -3.250
227 HZ3 LYS 29 HZ3 LYS 29 -11.324 8.635 -4.288
228 H MET 30 H MET 30 -7.903 5.973 0.145
229 HA MET 30 HA MET 30 -8.479 4.584 2.665
230 HB2 MET 30 HB2 MET 30 -8.542 3.619 -0.197
231 HB3 MET 30 HB3 MET 30 -8.863 2.606 1.196
232 HG2 MET 30 HG2 MET 30 -10.463 5.079 0.691
233 HG3 MET 30 HG3 MET 30 -10.845 3.562 -0.112
234 HE1 MET 30 HE1 MET 30 -9.873 4.004 4.021
235 HE2 MET 30 HE2 MET 30 -11.436 4.799 4.196
236 HE3 MET 30 HE3 MET 30 -10.253 5.427 3.051
237 H TYR 31 H TYR 31 -7.335 2.072 1.848
238 HA TYR 31 HA TYR 31 -4.585 2.586 2.599
239 HB2 TYR 31 HB2 TYR 31 -6.012 -0.039 2.099
240 HB3 TYR 31 HB3 TYR 31 -4.397 0.136 2.767
241 HD1 TYR 31 HD1 TYR 31 -7.932 1.128 3.439
242 HD2 TYR 31 HD2 TYR 31 -4.130 0.126 5.060
243 HE1 TYR 31 HE1 TYR 31 -8.901 1.126 5.695
244 HE2 TYR 31 HE2 TYR 31 -5.089 0.120 7.321
245 HH TYR 31 HH TYR 31 -8.257 -0.080 7.975
246 H CYS 32 H CYS 32 -2.811 1.494 1.483
247 HA CYS 32 HA CYS 32 -3.204 1.521 -1.424
248 HB2 CYS 32 HB2 CYS 32 -1.473 3.059 -0.606
249 HB3 CYS 32 HB3 CYS 32 -0.651 1.729 0.192
250 H CYS 33 H CYS 33 -3.113 -0.337 -2.481
251 HA CYS 33 HA CYS 33 -2.344 -2.744 -1.004
252 HB2 CYS 33 HB2 CYS 33 -3.882 -2.532 -3.598
253 HB3 CYS 33 HB3 CYS 33 -3.695 -3.961 -2.591
254 H LEU 34 H LEU 34 -0.617 -3.870 -1.560
255 HA LEU 34 HA LEU 34 0.576 -3.518 -4.206
256 HB2 LEU 34 HB2 LEU 34 2.053 -3.236 -1.587
257 HB3 LEU 34 HB3 LEU 34 2.810 -3.288 -3.163
258 HG LEU 34 HG LEU 34 0.753 -1.188 -2.647
259 HD11 LEU 34 HD11 LEU 34 2.524 -1.361 -0.732
260 HD12 LEU 34 HD12 LEU 34 2.135 0.203 -1.447
261 HD13 LEU 34 HD13 LEU 34 3.596 -0.650 -1.936
262 HD21 LEU 34 HD21 LEU 34 1.811 -0.069 -4.357
263 HD22 LEU 34 HD22 LEU 34 2.036 -1.750 -4.840
264 HD23 LEU 34 HD23 LEU 34 3.354 -0.872 -4.067
265 HA PRO 35 HA PRO 35 0.889 -7.920 -4.066
266 HB2 PRO 35 HB2 PRO 35 3.518 -7.596 -5.400
267 HB3 PRO 35 HB3 PRO 35 2.095 -8.497 -5.927
268 HG2 PRO 35 HG2 PRO 35 2.817 -6.169 -7.064
269 HG3 PRO 35 HG3 PRO 35 1.121 -6.654 -6.897
270 HD2 PRO 35 HD2 PRO 35 2.681 -4.643 -5.360
271 HD3 PRO 35 HD3 PRO 35 0.958 -4.661 -5.778
272 H ALA 36 H ALA 36 1.854 -9.446 -2.760
273 HA ALA 36 HA ALA 36 3.285 -8.684 -0.523
274 HB1 ALA 36 HB1 ALA 36 2.113 -10.978 -1.294
275 HB2 ALA 36 HB2 ALA 36 3.227 -10.870 0.068
276 HB3 ALA 36 HB3 ALA 36 3.807 -11.423 -1.503
277 H SER 37 H SER 37 4.362 -9.411 -3.711
278 HA SER 37 HA SER 37 7.082 -9.928 -3.229
279 HB2 SER 37 HB2 SER 37 5.903 -10.440 -5.350
280 HB3 SER 37 HB3 SER 37 5.787 -8.714 -5.684
281 HG SER 37 HG SER 37 8.336 -9.543 -5.107
282 H TRP 38 H TRP 38 5.249 -6.991 -3.439
283 HA TRP 38 HA TRP 38 7.174 -5.095 -4.018
284 HB2 TRP 38 HB2 TRP 38 4.813 -4.543 -3.872
285 HB3 TRP 38 HB3 TRP 38 4.811 -4.904 -2.152
286 HD1 TRP 38 HD1 TRP 38 6.697 -2.414 -4.483
287 HE1 TRP 38 HE1 TRP 38 6.866 -0.165 -3.236
288 HE3 TRP 38 HE3 TRP 38 4.480 -3.760 -0.088
289 HZ2 TRP 38 HZ2 TRP 38 6.140 0.894 -0.701
290 HZ3 TRP 38 HZ3 TRP 38 4.253 -2.084 1.694
291 HH2 TRP 38 HH2 TRP 38 5.068 0.194 1.390
292 H LYS 39 H LYS 39 8.663 -3.972 -2.860
293 HA LYS 39 HA LYS 39 9.380 -5.088 -0.249
294 HB2 LYS 39 HB2 LYS 39 10.996 -3.225 -1.996
295 HB3 LYS 39 HB3 LYS 39 11.560 -4.094 -0.576
296 HG2 LYS 39 HG2 LYS 39 10.835 -5.209 -3.265
297 HG3 LYS 39 HG3 LYS 39 12.391 -5.266 -2.438
298 HD2 LYS 39 HD2 LYS 39 11.435 -6.745 -0.739
299 HD3 LYS 39 HD3 LYS 39 9.871 -6.674 -1.551
300 HE2 LYS 39 HE2 LYS 39 11.035 -7.581 -3.598
301 HE3 LYS 39 HE3 LYS 39 12.428 -7.887 -2.564
302 HZ1 LYS 39 HZ1 LYS 39 9.723 -9.070 -2.327
303 HZ2 LYS 39 HZ2 LYS 39 10.917 -9.235 -1.143
304 HZ3 LYS 39 HZ3 LYS 39 11.167 -9.870 -2.686
305 H TRP 40 H TRP 40 9.041 -3.989 1.554
306 HA TRP 40 HA TRP 40 7.684 -1.504 1.463
307 HB2 TRP 40 HB2 TRP 40 7.220 -3.256 3.141
308 HB3 TRP 40 HB3 TRP 40 8.815 -3.004 3.833
309 HD1 TRP 40 HD1 TRP 40 7.368 -2.525 6.121
310 HE1 TRP 40 HE1 TRP 40 6.406 -0.320 7.016
311 HE3 TRP 40 HE3 TRP 40 7.412 0.225 1.791
312 HZ2 TRP 40 HZ2 TRP 40 5.747 2.228 6.034
313 HZ3 TRP 40 HZ3 TRP 40 6.600 2.536 1.870
314 HH2 TRP 40 HH2 TRP 40 5.788 3.519 3.947
315 H LYS 41 H LYS 41 9.369 -0.951 4.107
316 HA LYS 41 HA LYS 41 11.063 1.026 2.861
317 HB2 LYS 41 HB2 LYS 41 10.502 0.352 5.754
318 HB3 LYS 41 HB3 LYS 41 11.596 1.634 5.252
319 HG2 LYS 41 HG2 LYS 41 9.833 2.865 4.249
320 HG3 LYS 41 HG3 LYS 41 8.715 1.516 4.414
321 HD2 LYS 41 HD2 LYS 41 8.218 3.151 6.104
322 HD3 LYS 41 HD3 LYS 41 8.899 1.721 6.877
323 HE2 LYS 41 HE2 LYS 41 11.049 2.807 7.075
324 HE3 LYS 41 HE3 LYS 41 10.456 4.211 6.190
325 HZ1 LYS 41 HZ1 LYS 41 9.515 3.284 8.849
326 HZ2 LYS 41 HZ2 LYS 41 8.852 4.580 7.992
327 HZ3 LYS 41 HZ3 LYS 41 10.446 4.657 8.538
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 5.071 0.814 9.111
2 H2 LEU 1 H2 LEU 1 3.460 1.002 9.566
3 H3 LEU 1 H3 LEU 1 4.293 2.290 8.863
4 HA LEU 1 HA LEU 1 4.617 0.579 6.925
5 HB2 LEU 1 HB2 LEU 1 3.419 -1.139 8.340
6 HB3 LEU 1 HB3 LEU 1 1.957 -0.199 8.127
7 HG LEU 1 HG LEU 1 2.154 -0.546 5.664
8 HD11 LEU 1 HD11 LEU 1 4.184 -1.140 4.947
9 HD12 LEU 1 HD12 LEU 1 3.693 -2.775 5.384
10 HD13 LEU 1 HD13 LEU 1 4.649 -1.811 6.510
11 HD21 LEU 1 HD21 LEU 1 0.996 -2.510 5.745
12 HD22 LEU 1 HD22 LEU 1 0.947 -2.077 7.452
13 HD23 LEU 1 HD23 LEU 1 2.123 -3.257 6.877
14 H VAL 2 H VAL 2 4.397 3.222 7.081
15 HA VAL 2 HA VAL 2 1.901 3.831 5.653
16 HB VAL 2 HB VAL 2 1.976 6.104 6.500
17 HG11 VAL 2 HG11 VAL 2 1.969 3.869 8.490
18 HG12 VAL 2 HG12 VAL 2 0.613 4.787 7.838
19 HG13 VAL 2 HG13 VAL 2 1.704 5.534 9.005
20 HG21 VAL 2 HG21 VAL 2 3.599 6.467 8.494
21 HG22 VAL 2 HG22 VAL 2 4.190 6.653 6.844
22 HG23 VAL 2 HG23 VAL 2 4.527 5.173 7.738
23 H LEU 3 H LEU 3 2.108 4.631 3.696
24 HA LEU 3 HA LEU 3 4.768 5.175 2.631
25 HB2 LEU 3 HB2 LEU 3 2.071 4.667 1.392
26 HB3 LEU 3 HB3 LEU 3 3.427 5.237 0.449
27 HG LEU 3 HG LEU 3 4.651 3.221 0.821
28 HD11 LEU 3 HD11 LEU 3 3.744 1.386 2.198
29 HD12 LEU 3 HD12 LEU 3 2.464 2.465 2.752
30 HD13 LEU 3 HD13 LEU 3 4.146 2.817 3.144
31 HD21 LEU 3 HD21 LEU 3 2.642 1.540 0.226
32 HD22 LEU 3 HD22 LEU 3 3.349 2.668 -0.931
33 HD23 LEU 3 HD23 LEU 3 1.853 3.087 -0.090
34 H LYS 4 H LYS 4 5.025 7.003 1.136
35 HA LYS 4 HA LYS 4 3.940 9.428 2.263
36 HB2 LYS 4 HB2 LYS 4 5.849 8.852 -0.003
37 HB3 LYS 4 HB3 LYS 4 5.240 10.473 0.288
38 HG2 LYS 4 HG2 LYS 4 7.401 10.237 1.301
39 HG3 LYS 4 HG3 LYS 4 6.183 10.392 2.562
40 HD2 LYS 4 HD2 LYS 4 7.667 8.682 3.258
41 HD3 LYS 4 HD3 LYS 4 6.193 7.881 2.722
42 HE2 LYS 4 HE2 LYS 4 7.274 7.441 0.539
43 HE3 LYS 4 HE3 LYS 4 8.757 8.161 1.160
44 HZ1 LYS 4 HZ1 LYS 4 8.872 5.786 1.362
45 HZ2 LYS 4 HZ2 LYS 4 7.410 5.732 2.201
46 HZ3 LYS 4 HZ3 LYS 4 8.760 6.449 2.908
47 H TYR 5 H TYR 5 3.517 7.412 -0.509
48 HA TYR 5 HA TYR 5 0.934 8.521 -1.102
49 HB2 TYR 5 HB2 TYR 5 1.425 9.076 -3.435
50 HB3 TYR 5 HB3 TYR 5 2.407 10.054 -2.356
51 HD1 TYR 5 HD1 TYR 5 2.440 7.286 -4.774
52 HD2 TYR 5 HD2 TYR 5 4.816 9.805 -2.297
53 HE1 TYR 5 HE1 TYR 5 4.458 6.540 -5.963
54 HE2 TYR 5 HE2 TYR 5 6.839 9.070 -3.485
55 HH TYR 5 HH TYR 5 6.955 7.809 -6.319
56 H CYS 6 H CYS 6 -0.260 7.130 -2.513
57 HA CYS 6 HA CYS 6 0.485 4.392 -2.240
58 HB2 CYS 6 HB2 CYS 6 -1.878 5.293 -2.176
59 HB3 CYS 6 HB3 CYS 6 -1.772 5.486 -3.922
60 HA PRO 7 HA PRO 7 2.846 4.349 -6.068
61 HB2 PRO 7 HB2 PRO 7 3.132 1.481 -5.552
62 HB3 PRO 7 HB3 PRO 7 4.374 2.730 -5.627
63 HG2 PRO 7 HG2 PRO 7 3.661 1.532 -3.318
64 HG3 PRO 7 HG3 PRO 7 4.205 3.217 -3.390
65 HD2 PRO 7 HD2 PRO 7 1.426 2.128 -3.170
66 HD3 PRO 7 HD3 PRO 7 2.157 3.529 -2.361
67 H LYS 8 H LYS 8 2.180 4.019 -8.096
68 HA LYS 8 HA LYS 8 -0.360 3.071 -8.702
69 HB2 LYS 8 HB2 LYS 8 0.265 3.264 -11.032
70 HB3 LYS 8 HB3 LYS 8 0.898 4.627 -10.124
71 HG2 LYS 8 HG2 LYS 8 2.651 4.063 -11.513
72 HG3 LYS 8 HG3 LYS 8 3.072 3.260 -10.002
73 HD2 LYS 8 HD2 LYS 8 2.351 1.143 -10.838
74 HD3 LYS 8 HD3 LYS 8 1.624 1.887 -12.259
75 HE2 LYS 8 HE2 LYS 8 4.565 1.811 -11.599
76 HE3 LYS 8 HE3 LYS 8 3.748 0.808 -12.795
77 HZ1 LYS 8 HZ1 LYS 8 4.745 2.583 -13.949
78 HZ2 LYS 8 HZ2 LYS 8 4.150 3.740 -12.872
79 HZ3 LYS 8 HZ3 LYS 8 3.094 2.929 -13.913
80 H ILE 9 H ILE 9 2.591 1.339 -8.286
81 HA ILE 9 HA ILE 9 2.069 -0.924 -9.858
82 HB ILE 9 HB ILE 9 4.267 -0.585 -8.874
83 HG12 ILE 9 HG12 ILE 9 4.696 -2.858 -8.036
84 HG13 ILE 9 HG13 ILE 9 2.971 -3.102 -7.791
85 HG21 ILE 9 HG21 ILE 9 4.528 0.045 -6.765
86 HG22 ILE 9 HG22 ILE 9 3.893 -1.504 -6.212
87 HG23 ILE 9 HG23 ILE 9 2.798 -0.152 -6.490
88 HD11 ILE 9 HD11 ILE 9 2.570 -3.021 -10.149
89 HD12 ILE 9 HD12 ILE 9 3.870 -4.169 -9.832
90 HD13 ILE 9 HD13 ILE 9 4.244 -2.566 -10.462
91 H GLY 10 H GLY 10 0.906 0.051 -6.720
92 HA2 GLY 10 HA2 GLY 10 -0.402 -2.535 -6.303
93 HA3 GLY 10 HA3 GLY 10 -0.287 -1.225 -5.143
94 H TYR 11 H TYR 11 -2.418 -1.201 -4.647
95 HA TYR 11 HA TYR 11 -4.154 0.240 -6.456
96 HB2 TYR 11 HB2 TYR 11 -5.090 -2.387 -5.276
97 HB3 TYR 11 HB3 TYR 11 -5.981 -1.334 -6.362
98 HD1 TYR 11 HD1 TYR 11 -2.960 -3.496 -6.192
99 HD2 TYR 11 HD2 TYR 11 -5.916 -1.690 -8.654
100 HE1 TYR 11 HE1 TYR 11 -2.157 -4.814 -8.105
101 HE2 TYR 11 HE2 TYR 11 -5.124 -3.002 -10.580
102 HH TYR 11 HH TYR 11 -2.759 -4.149 -11.189
103 H CYS 12 H CYS 12 -5.367 1.649 -5.247
104 HA CYS 12 HA CYS 12 -5.193 1.352 -2.337
105 HB2 CYS 12 HB2 CYS 12 -4.477 3.500 -3.310
106 HB3 CYS 12 HB3 CYS 12 -6.082 3.722 -3.991
107 H SER 13 H SER 13 -6.895 0.726 -1.147
108 HA SER 13 HA SER 13 -9.597 1.254 -2.051
109 HB2 SER 13 HB2 SER 13 -10.134 -1.270 -1.684
110 HB3 SER 13 HB3 SER 13 -9.425 -0.761 -3.215
111 HG SER 13 HG SER 13 -7.504 -1.320 -1.384
112 H ASN 14 H ASN 14 -11.232 0.511 -0.457
113 HA ASN 14 HA ASN 14 -10.787 1.536 2.066
114 HB2 ASN 14 HB2 ASN 14 -12.917 0.751 2.650
115 HB3 ASN 14 HB3 ASN 14 -13.009 0.917 0.900
116 HD21 ASN 14 HD21 ASN 14 -13.930 -0.995 3.312
117 HD22 ASN 14 HD22 ASN 14 -13.958 -2.527 2.510
118 H THR 15 H THR 15 -10.250 -1.686 0.870
119 HA THR 15 HA THR 15 -8.801 -2.356 3.303
120 HB THR 15 HB THR 15 -9.915 -4.616 3.366
121 HG1 THR 15 HG1 THR 15 -11.918 -3.310 1.804
122 HG21 THR 15 HG21 THR 15 -10.465 -2.802 4.964
123 HG22 THR 15 HG22 THR 15 -11.829 -3.872 4.645
124 HG23 THR 15 HG23 THR 15 -11.759 -2.283 3.886
125 H CYS 16 H CYS 16 -7.235 -4.006 2.960
126 HA CYS 16 HA CYS 16 -6.692 -4.487 0.114
127 HB2 CYS 16 HB2 CYS 16 -4.818 -4.270 2.467
128 HB3 CYS 16 HB3 CYS 16 -4.315 -4.747 0.849
129 H SER 17 H SER 17 -6.140 -6.457 -0.633
130 HA SER 17 HA SER 17 -7.185 -8.727 0.638
131 HB2 SER 17 HB2 SER 17 -5.926 -9.970 -1.182
132 HB3 SER 17 HB3 SER 17 -7.015 -8.711 -1.758
133 HG SER 17 HG SER 17 -5.233 -7.344 -2.010
134 H LYS 18 H LYS 18 -6.168 -10.439 1.694
135 HA LYS 18 HA LYS 18 -4.178 -9.910 3.491
136 HB2 LYS 18 HB2 LYS 18 -4.779 -12.577 2.208
137 HB3 LYS 18 HB3 LYS 18 -3.897 -12.349 3.712
138 HG2 LYS 18 HG2 LYS 18 -5.847 -11.455 4.788
139 HG3 LYS 18 HG3 LYS 18 -6.739 -11.469 3.270
140 HD2 LYS 18 HD2 LYS 18 -5.645 -13.930 4.622
141 HD3 LYS 18 HD3 LYS 18 -7.301 -13.349 4.803
142 HE2 LYS 18 HE2 LYS 18 -5.986 -14.169 2.215
143 HE3 LYS 18 HE3 LYS 18 -7.146 -15.126 3.129
144 HZ1 LYS 18 HZ1 LYS 18 -8.263 -12.599 2.677
145 HZ2 LYS 18 HZ2 LYS 18 -8.771 -14.092 2.068
146 HZ3 LYS 18 HZ3 LYS 18 -7.659 -13.164 1.203
147 H THR 19 H THR 19 -3.839 -11.061 0.201
148 HA THR 19 HA THR 19 -1.082 -11.620 0.299
149 HB THR 19 HB THR 19 -2.709 -10.743 -2.095
150 HG1 THR 19 HG1 THR 19 -2.222 -13.335 -0.983
151 HG21 THR 19 HG21 THR 19 -0.519 -10.657 -2.824
152 HG22 THR 19 HG22 THR 19 -0.934 -12.334 -3.176
153 HG23 THR 19 HG23 THR 19 0.005 -11.940 -1.735
154 H GLN 20 H GLN 20 -2.893 -8.672 -0.368
155 HA GLN 20 HA GLN 20 -0.485 -7.199 -1.018
156 HB2 GLN 20 HB2 GLN 20 -3.375 -6.363 -0.832
157 HB3 GLN 20 HB3 GLN 20 -2.064 -5.267 -1.242
158 HG2 GLN 20 HG2 GLN 20 -1.572 -6.524 -3.235
159 HG3 GLN 20 HG3 GLN 20 -2.777 -7.738 -2.802
160 HE21 GLN 20 HE21 GLN 20 -2.245 -5.177 -4.743
161 HE22 GLN 20 HE22 GLN 20 -3.873 -4.644 -4.978
162 H ILE 21 H ILE 21 0.515 -5.718 0.218
163 HA ILE 21 HA ILE 21 0.201 -5.818 3.043
164 HB ILE 21 HB ILE 21 1.740 -3.821 1.369
165 HG12 ILE 21 HG12 ILE 21 2.706 -6.375 2.677
166 HG13 ILE 21 HG13 ILE 21 2.422 -6.165 0.952
167 HG21 ILE 21 HG21 ILE 21 3.113 -3.607 3.477
168 HG22 ILE 21 HG22 ILE 21 1.821 -4.478 4.304
169 HG23 ILE 21 HG23 ILE 21 1.490 -2.922 3.543
170 HD11 ILE 21 HD11 ILE 21 4.710 -5.426 2.565
171 HD12 ILE 21 HD12 ILE 21 4.122 -4.092 1.576
172 HD13 ILE 21 HD13 ILE 21 4.568 -5.621 0.819
173 H TRP 22 H TRP 22 -0.983 -4.527 4.365
174 HA TRP 22 HA TRP 22 -2.810 -2.625 3.205
175 HB2 TRP 22 HB2 TRP 22 -2.299 -3.520 6.042
176 HB3 TRP 22 HB3 TRP 22 -3.461 -2.261 5.642
177 HD1 TRP 22 HD1 TRP 22 -2.849 -5.846 4.232
178 HE1 TRP 22 HE1 TRP 22 -5.140 -7.022 4.087
179 HE3 TRP 22 HE3 TRP 22 -5.796 -2.090 6.043
180 HZ2 TRP 22 HZ2 TRP 22 -7.835 -6.419 4.670
181 HZ3 TRP 22 HZ3 TRP 22 -8.221 -2.464 6.212
182 HH2 TRP 22 HH2 TRP 22 -9.218 -4.587 5.540
183 H ALA 23 H ALA 23 -0.459 -1.697 2.520
184 HA ALA 23 HA ALA 23 0.813 0.017 4.375
185 HB1 ALA 23 HB1 ALA 23 1.261 1.012 1.783
186 HB2 ALA 23 HB2 ALA 23 1.136 -0.739 1.629
187 HB3 ALA 23 HB3 ALA 23 2.312 -0.034 2.737
188 H THR 24 H THR 24 0.064 1.850 5.199
189 HA THR 24 HA THR 24 -2.232 3.145 3.995
190 HB THR 24 HB THR 24 -0.649 4.017 6.419
191 HG1 THR 24 HG1 THR 24 -2.526 1.983 6.033
192 HG21 THR 24 HG21 THR 24 -2.831 5.057 7.052
193 HG22 THR 24 HG22 THR 24 -3.448 4.625 5.458
194 HG23 THR 24 HG23 THR 24 -2.106 5.758 5.606
195 H SER 25 H SER 25 -1.825 4.398 2.280
196 HA SER 25 HA SER 25 0.690 5.813 2.050
197 HB2 SER 25 HB2 SER 25 -0.257 6.524 -0.166
198 HB3 SER 25 HB3 SER 25 -0.099 4.781 0.041
199 HG SER 25 HG SER 25 -2.510 5.663 0.906
200 H HIS 26 H HIS 26 0.991 7.885 2.506
201 HA HIS 26 HA HIS 26 -1.081 9.430 3.722
202 HB2 HIS 26 HB2 HIS 26 1.780 10.092 2.995
203 HB3 HIS 26 HB3 HIS 26 0.712 11.191 3.861
204 HD1 HIS 26 HD1 HIS 26 -0.442 9.696 6.072
205 HD2 HIS 26 HD2 HIS 26 3.424 8.915 4.771
206 HE1 HIS 26 HE1 HIS 26 0.703 8.574 8.002
207 HE2 HIS 26 HE2 HIS 26 3.097 8.337 7.271
208 H GLY 27 H GLY 27 -1.831 8.799 1.115
209 HA2 GLY 27 HA2 GLY 27 -2.364 11.419 0.098
210 HA3 GLY 27 HA3 GLY 27 -1.229 10.539 -0.912
211 H CYS 28 H CYS 28 -3.748 8.834 0.807
212 HA CYS 28 HA CYS 28 -5.473 8.856 -1.530
213 HB2 CYS 28 HB2 CYS 28 -3.893 6.964 -1.928
214 HB3 CYS 28 HB3 CYS 28 -4.479 6.219 -0.441
215 H LYS 29 H LYS 29 -7.563 8.330 -1.138
216 HA LYS 29 HA LYS 29 -8.657 8.979 1.301
217 HB2 LYS 29 HB2 LYS 29 -10.754 7.893 0.380
218 HB3 LYS 29 HB3 LYS 29 -10.016 9.132 -0.624
219 HG2 LYS 29 HG2 LYS 29 -9.037 7.438 -2.051
220 HG3 LYS 29 HG3 LYS 29 -9.663 6.162 -1.008
221 HD2 LYS 29 HD2 LYS 29 -11.939 6.812 -1.533
222 HD3 LYS 29 HD3 LYS 29 -11.355 8.159 -2.511
223 HE2 LYS 29 HE2 LYS 29 -10.849 5.234 -3.055
224 HE3 LYS 29 HE3 LYS 29 -12.045 6.234 -3.873
225 HZ1 LYS 29 HZ1 LYS 29 -10.289 6.305 -5.323
226 HZ2 LYS 29 HZ2 LYS 29 -9.117 6.284 -4.106
227 HZ3 LYS 29 HZ3 LYS 29 -9.990 7.696 -4.412
228 H MET 30 H MET 30 -8.197 5.699 -0.018
229 HA MET 30 HA MET 30 -8.863 4.631 2.641
230 HB2 MET 30 HB2 MET 30 -8.836 3.248 -0.048
231 HB3 MET 30 HB3 MET 30 -9.281 2.506 1.480
232 HG2 MET 30 HG2 MET 30 -10.718 4.819 0.214
233 HG3 MET 30 HG3 MET 30 -11.223 3.133 0.122
234 HE1 MET 30 HE1 MET 30 -13.099 5.633 1.327
235 HE2 MET 30 HE2 MET 30 -13.904 4.607 2.515
236 HE3 MET 30 HE3 MET 30 -13.541 3.976 0.908
237 H TYR 31 H TYR 31 -7.656 2.020 1.906
238 HA TYR 31 HA TYR 31 -4.960 2.605 2.794
239 HB2 TYR 31 HB2 TYR 31 -6.329 -0.042 2.260
240 HB3 TYR 31 HB3 TYR 31 -4.734 0.149 2.967
241 HD1 TYR 31 HD1 TYR 31 -8.263 1.243 3.570
242 HD2 TYR 31 HD2 TYR 31 -4.549 0.017 5.244
243 HE1 TYR 31 HE1 TYR 31 -9.277 1.243 5.808
244 HE2 TYR 31 HE2 TYR 31 -5.557 0.013 7.485
245 HH TYR 31 HH TYR 31 -8.106 -0.288 8.356
246 H CYS 32 H CYS 32 -3.090 1.733 1.731
247 HA CYS 32 HA CYS 32 -3.451 1.540 -1.175
248 HB2 CYS 32 HB2 CYS 32 -1.865 3.289 -0.281
249 HB3 CYS 32 HB3 CYS 32 -0.861 1.981 0.330
250 H CYS 33 H CYS 33 -3.351 -0.404 -2.006
251 HA CYS 33 HA CYS 33 -2.261 -2.592 -0.399
252 HB2 CYS 33 HB2 CYS 33 -3.936 -2.840 -2.897
253 HB3 CYS 33 HB3 CYS 33 -3.696 -4.030 -1.622
254 H LEU 34 H LEU 34 -0.509 -3.687 -1.029
255 HA LEU 34 HA LEU 34 0.444 -3.406 -3.781
256 HB2 LEU 34 HB2 LEU 34 2.066 -2.866 -1.298
257 HB3 LEU 34 HB3 LEU 34 2.756 -3.053 -2.894
258 HG LEU 34 HG LEU 34 0.654 -0.972 -2.421
259 HD11 LEU 34 HD11 LEU 34 2.653 -0.893 -0.732
260 HD12 LEU 34 HD12 LEU 34 2.108 0.571 -1.548
261 HD13 LEU 34 HD13 LEU 34 3.535 -0.282 -2.128
262 HD21 LEU 34 HD21 LEU 34 1.762 -1.774 -4.670
263 HD22 LEU 34 HD22 LEU 34 3.043 -0.679 -4.156
264 HD23 LEU 34 HD23 LEU 34 1.402 -0.072 -4.378
265 HA PRO 35 HA PRO 35 1.012 -7.766 -3.659
266 HB2 PRO 35 HB2 PRO 35 3.640 -7.211 -4.951
267 HB3 PRO 35 HB3 PRO 35 2.341 -8.291 -5.465
268 HG2 PRO 35 HG2 PRO 35 2.776 -5.927 -6.662
269 HG3 PRO 35 HG3 PRO 35 1.151 -6.602 -6.470
270 HD2 PRO 35 HD2 PRO 35 2.446 -4.354 -5.040
271 HD3 PRO 35 HD3 PRO 35 0.728 -4.641 -5.377
272 H ALA 36 H ALA 36 1.940 -9.191 -2.250
273 HA ALA 36 HA ALA 36 3.366 -8.360 -0.036
274 HB1 ALA 36 HB1 ALA 36 4.042 -10.830 0.128
275 HB2 ALA 36 HB2 ALA 36 3.103 -11.052 -1.347
276 HB3 ALA 36 HB3 ALA 36 2.319 -10.458 0.115
277 H SER 37 H SER 37 4.473 -9.444 -3.159
278 HA SER 37 HA SER 37 7.214 -9.724 -2.567
279 HB2 SER 37 HB2 SER 37 5.939 -10.591 -4.604
280 HB3 SER 37 HB3 SER 37 6.083 -8.962 -5.260
281 HG SER 37 HG SER 37 7.847 -10.902 -5.399
282 H TRP 38 H TRP 38 5.229 -6.956 -3.225
283 HA TRP 38 HA TRP 38 7.015 -5.084 -4.168
284 HB2 TRP 38 HB2 TRP 38 4.649 -4.577 -3.871
285 HB3 TRP 38 HB3 TRP 38 4.823 -4.706 -2.126
286 HD1 TRP 38 HD1 TRP 38 6.309 -2.486 -4.960
287 HE1 TRP 38 HE1 TRP 38 6.561 -0.097 -4.019
288 HE3 TRP 38 HE3 TRP 38 4.777 -3.343 -0.170
289 HZ2 TRP 38 HZ2 TRP 38 6.151 1.238 -1.556
290 HZ3 TRP 38 HZ3 TRP 38 4.734 -1.466 1.418
291 HH2 TRP 38 HH2 TRP 38 5.411 0.777 0.735
292 H LYS 39 H LYS 39 8.730 -4.054 -3.367
293 HA LYS 39 HA LYS 39 9.745 -4.850 -0.795
294 HB2 LYS 39 HB2 LYS 39 10.835 -3.019 -2.931
295 HB3 LYS 39 HB3 LYS 39 11.665 -3.335 -1.417
296 HG2 LYS 39 HG2 LYS 39 10.899 -5.472 -3.388
297 HG3 LYS 39 HG3 LYS 39 12.472 -4.679 -3.352
298 HD2 LYS 39 HD2 LYS 39 11.346 -6.037 -0.921
299 HD3 LYS 39 HD3 LYS 39 12.213 -6.944 -2.159
300 HE2 LYS 39 HE2 LYS 39 13.746 -6.348 -0.409
301 HE3 LYS 39 HE3 LYS 39 14.144 -5.426 -1.855
302 HZ1 LYS 39 HZ1 LYS 39 13.566 -3.483 -0.883
303 HZ2 LYS 39 HZ2 LYS 39 13.959 -4.329 0.527
304 HZ3 LYS 39 HZ3 LYS 39 12.346 -4.169 0.064
305 H TRP 40 H TRP 40 9.210 -3.919 1.006
306 HA TRP 40 HA TRP 40 8.140 -1.227 0.993
307 HB2 TRP 40 HB2 TRP 40 6.950 -2.986 2.247
308 HB3 TRP 40 HB3 TRP 40 8.380 -3.251 3.232
309 HD1 TRP 40 HD1 TRP 40 7.024 -2.681 5.439
310 HE1 TRP 40 HE1 TRP 40 6.283 -0.457 6.491
311 HE3 TRP 40 HE3 TRP 40 7.660 0.405 1.394
312 HZ2 TRP 40 HZ2 TRP 40 5.997 2.231 5.718
313 HZ3 TRP 40 HZ3 TRP 40 7.130 2.786 1.647
314 HH2 TRP 40 HH2 TRP 40 6.318 3.682 3.764
315 H LYS 41 H LYS 41 9.316 -1.340 3.973
316 HA LYS 41 HA LYS 41 11.551 0.326 3.365
317 HB2 LYS 41 HB2 LYS 41 10.982 -0.920 6.048
318 HB3 LYS 41 HB3 LYS 41 11.783 0.610 5.707
319 HG2 LYS 41 HG2 LYS 41 9.577 1.388 4.743
320 HG3 LYS 41 HG3 LYS 41 8.873 -0.055 5.462
321 HD2 LYS 41 HD2 LYS 41 10.261 2.193 6.899
322 HD3 LYS 41 HD3 LYS 41 8.543 1.811 6.932
323 HE2 LYS 41 HE2 LYS 41 9.347 0.945 8.942
324 HE3 LYS 41 HE3 LYS 41 9.263 -0.459 7.884
325 HZ1 LYS 41 HZ1 LYS 41 11.357 -0.077 9.293
326 HZ2 LYS 41 HZ2 LYS 41 11.763 1.079 8.131
327 HZ3 LYS 41 HZ3 LYS 41 11.550 -0.533 7.680
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 2.911 1.570 9.862
2 H2 LEU 1 H2 LEU 1 3.797 2.871 9.258
3 H3 LEU 1 H3 LEU 1 4.577 1.417 9.619
4 HA LEU 1 HA LEU 1 4.406 1.118 7.412
5 HB2 LEU 1 HB2 LEU 1 3.014 -0.568 8.655
6 HB3 LEU 1 HB3 LEU 1 1.602 0.396 8.273
7 HG LEU 1 HG LEU 1 2.076 0.036 5.849
8 HD11 LEU 1 HD11 LEU 1 4.248 -0.501 5.505
9 HD12 LEU 1 HD12 LEU 1 3.582 -2.130 5.584
10 HD13 LEU 1 HD13 LEU 1 4.374 -1.433 6.997
11 HD21 LEU 1 HD21 LEU 1 0.414 -1.319 6.915
12 HD22 LEU 1 HD22 LEU 1 1.645 -2.392 7.578
13 HD23 LEU 1 HD23 LEU 1 1.360 -2.343 5.838
14 H VAL 2 H VAL 2 4.167 3.790 7.574
15 HA VAL 2 HA VAL 2 1.832 4.483 5.940
16 HB VAL 2 HB VAL 2 1.990 5.754 8.024
17 HG11 VAL 2 HG11 VAL 2 4.665 5.673 7.661
18 HG12 VAL 2 HG12 VAL 2 3.844 6.775 8.764
19 HG13 VAL 2 HG13 VAL 2 4.310 7.322 7.153
20 HG21 VAL 2 HG21 VAL 2 1.791 7.993 7.064
21 HG22 VAL 2 HG22 VAL 2 0.972 6.797 6.059
22 HG23 VAL 2 HG23 VAL 2 2.544 7.429 5.573
23 H LEU 3 H LEU 3 2.132 4.920 3.880
24 HA LEU 3 HA LEU 3 4.839 5.251 2.830
25 HB2 LEU 3 HB2 LEU 3 2.178 4.628 1.574
26 HB3 LEU 3 HB3 LEU 3 3.586 5.022 0.620
27 HG LEU 3 HG LEU 3 4.719 3.037 1.328
28 HD11 LEU 3 HD11 LEU 3 2.383 2.587 3.180
29 HD12 LEU 3 HD12 LEU 3 4.034 2.975 3.655
30 HD13 LEU 3 HD13 LEU 3 3.684 1.437 2.873
31 HD21 LEU 3 HD21 LEU 3 2.859 1.320 0.717
32 HD22 LEU 3 HD22 LEU 3 3.378 2.514 -0.474
33 HD23 LEU 3 HD23 LEU 3 1.884 2.766 0.433
34 H LYS 4 H LYS 4 5.495 7.079 1.753
35 HA LYS 4 HA LYS 4 4.149 9.517 2.219
36 HB2 LYS 4 HB2 LYS 4 6.310 8.799 0.230
37 HB3 LYS 4 HB3 LYS 4 5.708 10.431 0.450
38 HG2 LYS 4 HG2 LYS 4 7.746 10.209 1.649
39 HG3 LYS 4 HG3 LYS 4 6.431 10.308 2.820
40 HD2 LYS 4 HD2 LYS 4 6.488 7.950 3.189
41 HD3 LYS 4 HD3 LYS 4 7.643 7.722 1.872
42 HE2 LYS 4 HE2 LYS 4 8.131 9.210 4.444
43 HE3 LYS 4 HE3 LYS 4 8.766 7.622 4.023
44 HZ1 LYS 4 HZ1 LYS 4 10.331 9.529 3.715
45 HZ2 LYS 4 HZ2 LYS 4 9.351 10.058 2.444
46 HZ3 LYS 4 HZ3 LYS 4 10.116 8.558 2.351
47 H TYR 5 H TYR 5 4.233 7.196 -0.351
48 HA TYR 5 HA TYR 5 1.811 8.245 -1.535
49 HB2 TYR 5 HB2 TYR 5 3.016 8.230 -3.830
50 HB3 TYR 5 HB3 TYR 5 3.285 9.608 -2.764
51 HD1 TYR 5 HD1 TYR 5 5.409 9.907 -1.622
52 HD2 TYR 5 HD2 TYR 5 4.800 6.620 -4.255
53 HE1 TYR 5 HE1 TYR 5 7.828 9.474 -1.623
54 HE2 TYR 5 HE2 TYR 5 7.221 6.189 -4.277
55 HH TYR 5 HH TYR 5 9.326 7.440 -2.047
56 H CYS 6 H CYS 6 0.670 6.697 -2.588
57 HA CYS 6 HA CYS 6 1.458 3.966 -2.227
58 HB2 CYS 6 HB2 CYS 6 -0.877 4.682 -1.954
59 HB3 CYS 6 HB3 CYS 6 -0.935 5.169 -3.637
60 HA PRO 7 HA PRO 7 3.628 3.636 -6.131
61 HB2 PRO 7 HB2 PRO 7 3.009 0.749 -5.792
62 HB3 PRO 7 HB3 PRO 7 4.567 1.541 -6.050
63 HG2 PRO 7 HG2 PRO 7 3.914 0.566 -3.660
64 HG3 PRO 7 HG3 PRO 7 4.807 2.088 -3.809
65 HD2 PRO 7 HD2 PRO 7 1.911 1.643 -3.207
66 HD3 PRO 7 HD3 PRO 7 3.034 2.841 -2.529
67 H LYS 8 H LYS 8 2.889 3.703 -8.191
68 HA LYS 8 HA LYS 8 0.225 3.726 -8.834
69 HB2 LYS 8 HB2 LYS 8 1.901 4.682 -10.295
70 HB3 LYS 8 HB3 LYS 8 2.562 3.089 -10.628
71 HG2 LYS 8 HG2 LYS 8 1.285 3.734 -12.514
72 HG3 LYS 8 HG3 LYS 8 0.375 2.483 -11.674
73 HD2 LYS 8 HD2 LYS 8 -0.231 5.279 -10.919
74 HD3 LYS 8 HD3 LYS 8 -0.703 4.793 -12.545
75 HE2 LYS 8 HE2 LYS 8 -2.597 4.207 -11.427
76 HE3 LYS 8 HE3 LYS 8 -1.693 2.710 -11.241
77 HZ1 LYS 8 HZ1 LYS 8 -1.574 2.984 -9.044
78 HZ2 LYS 8 HZ2 LYS 8 -2.801 4.130 -9.232
79 HZ3 LYS 8 HZ3 LYS 8 -1.190 4.627 -9.156
80 H ILE 9 H ILE 9 2.446 1.012 -8.918
81 HA ILE 9 HA ILE 9 0.814 -0.830 -10.257
82 HB ILE 9 HB ILE 9 3.170 -1.289 -9.860
83 HG12 ILE 9 HG12 ILE 9 1.383 -3.295 -8.461
84 HG13 ILE 9 HG13 ILE 9 1.664 -3.202 -10.196
85 HG21 ILE 9 HG21 ILE 9 2.528 -1.719 -6.951
86 HG22 ILE 9 HG22 ILE 9 3.202 -0.217 -7.582
87 HG23 ILE 9 HG23 ILE 9 4.112 -1.719 -7.727
88 HD11 ILE 9 HD11 ILE 9 4.200 -3.389 -9.080
89 HD12 ILE 9 HD12 ILE 9 3.297 -4.659 -9.903
90 HD13 ILE 9 HD13 ILE 9 3.204 -4.508 -8.149
91 H GLY 10 H GLY 10 0.958 0.178 -6.908
92 HA2 GLY 10 HA2 GLY 10 -0.763 -1.848 -5.889
93 HA3 GLY 10 HA3 GLY 10 -0.326 -0.349 -5.083
94 H TYR 11 H TYR 11 -2.751 -1.038 -4.590
95 HA TYR 11 HA TYR 11 -4.384 0.796 -6.192
96 HB2 TYR 11 HB2 TYR 11 -5.394 -1.894 -5.248
97 HB3 TYR 11 HB3 TYR 11 -6.246 -0.729 -6.256
98 HD1 TYR 11 HD1 TYR 11 -3.270 -2.955 -6.204
99 HD2 TYR 11 HD2 TYR 11 -6.101 -0.848 -8.576
100 HE1 TYR 11 HE1 TYR 11 -2.388 -4.053 -8.218
101 HE2 TYR 11 HE2 TYR 11 -5.229 -1.946 -10.594
102 HH TYR 11 HH TYR 11 -2.501 -3.175 -10.983
103 H CYS 12 H CYS 12 -5.515 2.163 -4.924
104 HA CYS 12 HA CYS 12 -5.392 1.681 -2.050
105 HB2 CYS 12 HB2 CYS 12 -6.082 4.173 -3.610
106 HB3 CYS 12 HB3 CYS 12 -6.062 4.072 -1.853
107 H SER 13 H SER 13 -7.039 0.894 -0.987
108 HA SER 13 HA SER 13 -9.761 1.630 -1.668
109 HB2 SER 13 HB2 SER 13 -9.246 -0.344 -3.118
110 HB3 SER 13 HB3 SER 13 -8.912 -1.284 -1.665
111 HG SER 13 HG SER 13 -10.976 -1.721 -1.852
112 H ASN 14 H ASN 14 -11.302 0.449 -0.080
113 HA ASN 14 HA ASN 14 -10.523 1.123 2.541
114 HB2 ASN 14 HB2 ASN 14 -12.862 1.171 1.836
115 HB3 ASN 14 HB3 ASN 14 -12.848 -0.576 1.630
116 HD21 ASN 14 HD21 ASN 14 -13.465 1.951 3.733
117 HD22 ASN 14 HD22 ASN 14 -13.623 1.038 5.192
118 H THR 15 H THR 15 -10.303 -1.832 0.747
119 HA THR 15 HA THR 15 -8.853 -3.019 2.978
120 HB THR 15 HB THR 15 -10.027 -5.191 2.690
121 HG1 THR 15 HG1 THR 15 -11.686 -3.592 1.020
122 HG21 THR 15 HG21 THR 15 -11.797 -4.683 4.128
123 HG22 THR 15 HG22 THR 15 -12.055 -3.098 3.402
124 HG23 THR 15 HG23 THR 15 -10.642 -3.386 4.416
125 H CYS 16 H CYS 16 -7.249 -4.419 2.371
126 HA CYS 16 HA CYS 16 -6.761 -4.631 -0.518
127 HB2 CYS 16 HB2 CYS 16 -4.844 -4.517 1.811
128 HB3 CYS 16 HB3 CYS 16 -4.352 -4.886 0.160
129 H SER 17 H SER 17 -6.128 -6.566 -1.414
130 HA SER 17 HA SER 17 -7.186 -8.906 -0.396
131 HB2 SER 17 HB2 SER 17 -6.400 -8.427 -2.782
132 HB3 SER 17 HB3 SER 17 -4.782 -8.828 -2.220
133 HG SER 17 HG SER 17 -6.819 -10.471 -2.892
134 H LYS 18 H LYS 18 -6.327 -10.636 0.766
135 HA LYS 18 HA LYS 18 -4.593 -10.108 2.833
136 HB2 LYS 18 HB2 LYS 18 -5.017 -12.797 1.520
137 HB3 LYS 18 HB3 LYS 18 -4.375 -12.530 3.131
138 HG2 LYS 18 HG2 LYS 18 -7.166 -11.936 2.175
139 HG3 LYS 18 HG3 LYS 18 -6.671 -13.205 3.289
140 HD2 LYS 18 HD2 LYS 18 -7.415 -11.643 4.784
141 HD3 LYS 18 HD3 LYS 18 -5.726 -11.159 4.666
142 HE2 LYS 18 HE2 LYS 18 -7.154 -9.209 4.549
143 HE3 LYS 18 HE3 LYS 18 -6.360 -9.451 3.001
144 HZ1 LYS 18 HZ1 LYS 18 -9.177 -9.692 3.700
145 HZ2 LYS 18 HZ2 LYS 18 -8.584 -10.781 2.555
146 HZ3 LYS 18 HZ3 LYS 18 -8.462 -9.120 2.281
147 H THR 19 H THR 19 -3.883 -11.322 -0.379
148 HA THR 19 HA THR 19 -1.074 -11.665 0.128
149 HB THR 19 HB THR 19 -2.259 -13.042 -1.546
150 HG1 THR 19 HG1 THR 19 -0.195 -11.360 -2.593
151 HG21 THR 19 HG21 THR 19 -2.269 -10.941 -3.600
152 HG22 THR 19 HG22 THR 19 -3.480 -10.741 -2.334
153 HG23 THR 19 HG23 THR 19 -3.434 -12.224 -3.284
154 H GLN 20 H GLN 20 -2.175 -9.017 0.695
155 HA GLN 20 HA GLN 20 -0.267 -7.467 -0.854
156 HB2 GLN 20 HB2 GLN 20 -3.175 -6.657 -0.640
157 HB3 GLN 20 HB3 GLN 20 -1.892 -5.686 -1.343
158 HG2 GLN 20 HG2 GLN 20 -1.588 -7.339 -3.103
159 HG3 GLN 20 HG3 GLN 20 -2.850 -8.340 -2.389
160 HE21 GLN 20 HE21 GLN 20 -2.309 -6.395 -4.869
161 HE22 GLN 20 HE22 GLN 20 -3.873 -5.685 -5.085
162 H ILE 21 H ILE 21 0.654 -5.852 0.315
163 HA ILE 21 HA ILE 21 0.222 -5.828 3.143
164 HB ILE 21 HB ILE 21 1.899 -3.978 1.429
165 HG12 ILE 21 HG12 ILE 21 2.705 -6.408 3.049
166 HG13 ILE 21 HG13 ILE 21 2.542 -6.373 1.298
167 HG21 ILE 21 HG21 ILE 21 1.981 -4.429 4.414
168 HG22 ILE 21 HG22 ILE 21 1.340 -2.997 3.611
169 HG23 ILE 21 HG23 ILE 21 3.055 -3.379 3.490
170 HD11 ILE 21 HD11 ILE 21 4.633 -5.690 1.107
171 HD12 ILE 21 HD12 ILE 21 4.804 -5.762 2.861
172 HD13 ILE 21 HD13 ILE 21 4.283 -4.266 2.086
173 H TRP 22 H TRP 22 -1.183 -4.628 4.253
174 HA TRP 22 HA TRP 22 -2.818 -2.660 2.932
175 HB2 TRP 22 HB2 TRP 22 -2.705 -3.577 5.813
176 HB3 TRP 22 HB3 TRP 22 -3.877 -2.422 5.192
177 HD1 TRP 22 HD1 TRP 22 -2.773 -5.876 3.789
178 HE1 TRP 22 HE1 TRP 22 -4.898 -7.278 3.400
179 HE3 TRP 22 HE3 TRP 22 -6.243 -2.562 5.527
180 HZ2 TRP 22 HZ2 TRP 22 -7.685 -7.007 3.796
181 HZ3 TRP 22 HZ3 TRP 22 -8.614 -3.203 5.486
182 HH2 TRP 22 HH2 TRP 22 -9.320 -5.381 4.640
183 H ALA 23 H ALA 23 -0.449 -1.656 2.591
184 HA ALA 23 HA ALA 23 0.529 -0.045 4.728
185 HB1 ALA 23 HB1 ALA 23 1.384 -0.786 2.133
186 HB2 ALA 23 HB2 ALA 23 2.299 0.035 3.396
187 HB3 ALA 23 HB3 ALA 23 1.385 0.975 2.216
188 H THR 24 H THR 24 -0.107 1.927 5.369
189 HA THR 24 HA THR 24 -2.299 3.202 3.970
190 HB THR 24 HB THR 24 -0.841 4.084 6.468
191 HG1 THR 24 HG1 THR 24 -3.334 2.712 6.224
192 HG21 THR 24 HG21 THR 24 -3.332 5.030 5.084
193 HG22 THR 24 HG22 THR 24 -1.978 5.977 5.701
194 HG23 THR 24 HG23 THR 24 -3.126 5.244 6.822
195 H SER 25 H SER 25 -1.804 4.382 2.244
196 HA SER 25 HA SER 25 0.721 5.842 2.135
197 HB2 SER 25 HB2 SER 25 -0.018 6.266 -0.256
198 HB3 SER 25 HB3 SER 25 0.280 4.581 0.170
199 HG SER 25 HG SER 25 -2.280 5.279 0.690
200 H HIS 26 H HIS 26 0.862 8.033 2.172
201 HA HIS 26 HA HIS 26 -1.141 9.594 3.288
202 HB2 HIS 26 HB2 HIS 26 1.130 10.348 3.402
203 HB3 HIS 26 HB3 HIS 26 1.273 10.370 1.650
204 HD1 HIS 26 HD1 HIS 26 -0.605 12.169 0.523
205 HD2 HIS 26 HD2 HIS 26 0.742 12.823 4.401
206 HE1 HIS 26 HE1 HIS 26 -1.093 14.583 1.011
207 HE2 HIS 26 HE2 HIS 26 -0.395 14.918 3.405
208 H GLY 27 H GLY 27 -0.252 9.166 -0.116
209 HA2 GLY 27 HA2 GLY 27 -2.231 11.043 -1.026
210 HA3 GLY 27 HA3 GLY 27 -1.243 10.007 -2.032
211 H CYS 28 H CYS 28 -3.284 8.805 0.558
212 HA CYS 28 HA CYS 28 -5.426 8.120 -1.245
213 HB2 CYS 28 HB2 CYS 28 -3.626 5.999 -0.094
214 HB3 CYS 28 HB3 CYS 28 -5.259 5.656 -0.644
215 H LYS 29 H LYS 29 -7.305 7.754 -0.225
216 HA LYS 29 HA LYS 29 -7.641 8.706 2.394
217 HB2 LYS 29 HB2 LYS 29 -9.594 6.943 0.933
218 HB3 LYS 29 HB3 LYS 29 -9.947 8.201 2.101
219 HG2 LYS 29 HG2 LYS 29 -9.557 9.903 0.558
220 HG3 LYS 29 HG3 LYS 29 -8.671 8.837 -0.534
221 HD2 LYS 29 HD2 LYS 29 -10.760 7.580 -0.955
222 HD3 LYS 29 HD3 LYS 29 -11.626 8.729 0.070
223 HE2 LYS 29 HE2 LYS 29 -11.100 10.538 -1.436
224 HE3 LYS 29 HE3 LYS 29 -10.098 9.475 -2.420
225 HZ1 LYS 29 HZ1 LYS 29 -12.925 9.858 -2.466
226 HZ2 LYS 29 HZ2 LYS 29 -12.519 8.227 -2.316
227 HZ3 LYS 29 HZ3 LYS 29 -11.923 9.126 -3.610
228 H MET 30 H MET 30 -8.450 5.479 1.183
229 HA MET 30 HA MET 30 -8.412 4.346 3.814
230 HB2 MET 30 HB2 MET 30 -8.722 2.999 1.129
231 HB3 MET 30 HB3 MET 30 -9.042 2.266 2.694
232 HG2 MET 30 HG2 MET 30 -11.129 2.873 1.766
233 HG3 MET 30 HG3 MET 30 -10.786 4.014 3.062
234 HE1 MET 30 HE1 MET 30 -10.618 4.859 -1.447
235 HE2 MET 30 HE2 MET 30 -10.574 3.283 -0.657
236 HE3 MET 30 HE3 MET 30 -9.132 4.297 -0.682
237 H TYR 31 H TYR 31 -7.321 1.836 2.119
238 HA TYR 31 HA TYR 31 -4.551 2.234 3.019
239 HB2 TYR 31 HB2 TYR 31 -5.943 -0.358 2.313
240 HB3 TYR 31 HB3 TYR 31 -4.346 -0.186 3.025
241 HD1 TYR 31 HD1 TYR 31 -7.961 0.297 3.668
242 HD2 TYR 31 HD2 TYR 31 -4.075 -0.086 5.351
243 HE1 TYR 31 HE1 TYR 31 -8.960 0.041 5.896
244 HE2 TYR 31 HE2 TYR 31 -5.061 -0.350 7.582
245 HH TYR 31 HH TYR 31 -8.495 0.097 8.144
246 H CYS 32 H CYS 32 -2.859 1.346 1.724
247 HA CYS 32 HA CYS 32 -3.410 1.462 -1.159
248 HB2 CYS 32 HB2 CYS 32 -1.703 3.046 -0.536
249 HB3 CYS 32 HB3 CYS 32 -0.854 1.849 0.425
250 H CYS 33 H CYS 33 -3.232 -0.394 -2.279
251 HA CYS 33 HA CYS 33 -2.430 -2.778 -0.787
252 HB2 CYS 33 HB2 CYS 33 -3.910 -2.625 -3.418
253 HB3 CYS 33 HB3 CYS 33 -3.760 -4.021 -2.356
254 H LEU 34 H LEU 34 -0.701 -3.922 -1.316
255 HA LEU 34 HA LEU 34 0.538 -3.607 -3.936
256 HB2 LEU 34 HB2 LEU 34 1.966 -3.129 -1.324
257 HB3 LEU 34 HB3 LEU 34 2.755 -3.252 -2.880
258 HG LEU 34 HG LEU 34 0.662 -1.165 -2.326
259 HD11 LEU 34 HD11 LEU 34 2.257 0.347 -1.578
260 HD12 LEU 34 HD12 LEU 34 3.599 -0.639 -2.150
261 HD13 LEU 34 HD13 LEU 34 2.686 -1.137 -0.728
262 HD21 LEU 34 HD21 LEU 34 1.329 -1.781 -4.662
263 HD22 LEU 34 HD22 LEU 34 2.948 -1.205 -4.275
264 HD23 LEU 34 HD23 LEU 34 1.581 -0.090 -4.232
265 HA PRO 35 HA PRO 35 1.003 -7.989 -3.607
266 HB2 PRO 35 HB2 PRO 35 3.579 -7.586 -5.022
267 HB3 PRO 35 HB3 PRO 35 2.201 -8.595 -5.464
268 HG2 PRO 35 HG2 PRO 35 2.738 -6.293 -6.734
269 HG3 PRO 35 HG3 PRO 35 1.079 -6.860 -6.472
270 HD2 PRO 35 HD2 PRO 35 2.585 -4.694 -5.101
271 HD3 PRO 35 HD3 PRO 35 0.851 -4.823 -5.450
272 H ALA 36 H ALA 36 2.052 -9.432 -2.295
273 HA ALA 36 HA ALA 36 3.455 -8.593 -0.083
274 HB1 ALA 36 HB1 ALA 36 3.632 -11.300 -1.403
275 HB2 ALA 36 HB2 ALA 36 2.394 -10.785 -0.257
276 HB3 ALA 36 HB3 ALA 36 4.073 -10.930 0.264
277 H SER 37 H SER 37 4.685 -9.449 -3.238
278 HA SER 37 HA SER 37 7.411 -9.691 -2.592
279 HB2 SER 37 HB2 SER 37 6.461 -10.508 -4.702
280 HB3 SER 37 HB3 SER 37 6.121 -8.854 -5.201
281 HG SER 37 HG SER 37 8.383 -10.263 -5.470
282 H TRP 38 H TRP 38 5.381 -6.919 -3.127
283 HA TRP 38 HA TRP 38 7.143 -4.949 -3.848
284 HB2 TRP 38 HB2 TRP 38 4.766 -4.510 -3.621
285 HB3 TRP 38 HB3 TRP 38 4.858 -4.761 -1.881
286 HD1 TRP 38 HD1 TRP 38 6.470 -2.347 -4.470
287 HE1 TRP 38 HE1 TRP 38 6.664 -0.027 -3.364
288 HE3 TRP 38 HE3 TRP 38 4.641 -3.505 0.154
289 HZ2 TRP 38 HZ2 TRP 38 6.109 1.149 -0.854
290 HZ3 TRP 38 HZ3 TRP 38 4.506 -1.730 1.853
291 HH2 TRP 38 HH2 TRP 38 5.226 0.548 1.355
292 H LYS 39 H LYS 39 8.716 -3.790 -2.898
293 HA LYS 39 HA LYS 39 9.691 -4.684 -0.318
294 HB2 LYS 39 HB2 LYS 39 10.782 -2.931 -2.495
295 HB3 LYS 39 HB3 LYS 39 11.493 -2.873 -0.888
296 HG2 LYS 39 HG2 LYS 39 12.556 -4.422 -2.613
297 HG3 LYS 39 HG3 LYS 39 12.239 -5.076 -1.007
298 HD2 LYS 39 HD2 LYS 39 10.210 -6.135 -1.811
299 HD3 LYS 39 HD3 LYS 39 10.448 -5.428 -3.409
300 HE2 LYS 39 HE2 LYS 39 11.158 -7.755 -3.382
301 HE3 LYS 39 HE3 LYS 39 12.537 -6.690 -3.648
302 HZ1 LYS 39 HZ1 LYS 39 13.087 -8.404 -2.070
303 HZ2 LYS 39 HZ2 LYS 39 11.784 -7.976 -1.083
304 HZ3 LYS 39 HZ3 LYS 39 13.071 -6.908 -1.286
305 H TRP 40 H TRP 40 9.233 -3.749 1.512
306 HA TRP 40 HA TRP 40 7.743 -1.282 1.537
307 HB2 TRP 40 HB2 TRP 40 7.022 -3.107 2.980
308 HB3 TRP 40 HB3 TRP 40 8.585 -3.120 3.786
309 HD1 TRP 40 HD1 TRP 40 7.136 -2.750 6.072
310 HE1 TRP 40 HE1 TRP 40 6.321 -0.579 7.181
311 HE3 TRP 40 HE3 TRP 40 7.519 0.425 2.064
312 HZ2 TRP 40 HZ2 TRP 40 5.888 2.104 6.457
313 HZ3 TRP 40 HZ3 TRP 40 6.887 2.775 2.369
314 HH2 TRP 40 HH2 TRP 40 6.091 3.598 4.522
315 H LYS 41 H LYS 41 9.400 -1.313 4.388
316 HA LYS 41 HA LYS 41 11.424 0.561 3.357
317 HB2 LYS 41 HB2 LYS 41 11.268 1.757 5.477
318 HB3 LYS 41 HB3 LYS 41 9.697 1.678 4.698
319 HG2 LYS 41 HG2 LYS 41 9.144 -0.249 6.193
320 HG3 LYS 41 HG3 LYS 41 10.655 0.061 7.049
321 HD2 LYS 41 HD2 LYS 41 8.400 2.040 6.708
322 HD3 LYS 41 HD3 LYS 41 8.716 1.098 8.163
323 HE2 LYS 41 HE2 LYS 41 10.840 2.194 8.467
324 HE3 LYS 41 HE3 LYS 41 10.668 3.040 6.931
325 HZ1 LYS 41 HZ1 LYS 41 8.833 3.383 9.236
326 HZ2 LYS 41 HZ2 LYS 41 8.839 4.277 7.801
327 HZ3 LYS 41 HZ3 LYS 41 10.125 4.412 8.887
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 4.483 1.751 8.987
2 H2 LEU 1 H2 LEU 1 3.945 0.186 9.299
3 H3 LEU 1 H3 LEU 1 2.845 1.465 9.283
4 HA LEU 1 HA LEU 1 4.431 0.683 6.922
5 HB2 LEU 1 HB2 LEU 1 3.024 -1.180 7.776
6 HB3 LEU 1 HB3 LEU 1 1.618 -0.145 7.658
7 HG LEU 1 HG LEU 1 1.950 -0.011 5.211
8 HD11 LEU 1 HD11 LEU 1 3.474 -1.736 4.199
9 HD12 LEU 1 HD12 LEU 1 4.207 -1.899 5.795
10 HD13 LEU 1 HD13 LEU 1 4.268 -0.353 4.950
11 HD21 LEU 1 HD21 LEU 1 0.511 -1.745 6.352
12 HD22 LEU 1 HD22 LEU 1 1.838 -2.879 6.109
13 HD23 LEU 1 HD23 LEU 1 1.043 -2.139 4.719
14 H VAL 2 H VAL 2 4.306 3.250 7.492
15 HA VAL 2 HA VAL 2 1.975 4.407 6.144
16 HB VAL 2 HB VAL 2 4.153 5.751 7.753
17 HG11 VAL 2 HG11 VAL 2 1.691 6.866 6.419
18 HG12 VAL 2 HG12 VAL 2 3.372 7.295 6.105
19 HG13 VAL 2 HG13 VAL 2 2.624 7.728 7.641
20 HG21 VAL 2 HG21 VAL 2 2.283 6.165 9.360
21 HG22 VAL 2 HG22 VAL 2 2.748 4.472 9.203
22 HG23 VAL 2 HG23 VAL 2 1.291 5.064 8.404
23 H LEU 3 H LEU 3 2.171 5.614 4.303
24 HA LEU 3 HA LEU 3 4.832 5.745 3.039
25 HB2 LEU 3 HB2 LEU 3 2.219 5.201 1.640
26 HB3 LEU 3 HB3 LEU 3 3.800 5.248 0.904
27 HG LEU 3 HG LEU 3 2.982 3.209 2.966
28 HD11 LEU 3 HD11 LEU 3 2.819 1.678 1.011
29 HD12 LEU 3 HD12 LEU 3 2.942 3.086 -0.042
30 HD13 LEU 3 HD13 LEU 3 1.570 2.925 1.055
31 HD21 LEU 3 HD21 LEU 3 5.265 3.221 1.000
32 HD22 LEU 3 HD22 LEU 3 4.949 2.032 2.263
33 HD23 LEU 3 HD23 LEU 3 5.410 3.679 2.696
34 H LYS 4 H LYS 4 5.072 7.411 1.444
35 HA LYS 4 HA LYS 4 3.975 9.924 2.191
36 HB2 LYS 4 HB2 LYS 4 5.340 9.222 -0.371
37 HB3 LYS 4 HB3 LYS 4 5.184 10.820 0.311
38 HG2 LYS 4 HG2 LYS 4 6.745 8.584 1.566
39 HG3 LYS 4 HG3 LYS 4 7.437 9.820 0.519
40 HD2 LYS 4 HD2 LYS 4 6.528 11.533 2.124
41 HD3 LYS 4 HD3 LYS 4 6.145 10.194 3.211
42 HE2 LYS 4 HE2 LYS 4 8.877 10.855 2.124
43 HE3 LYS 4 HE3 LYS 4 8.306 11.226 3.752
44 HZ1 LYS 4 HZ1 LYS 4 8.497 8.490 2.626
45 HZ2 LYS 4 HZ2 LYS 4 8.111 8.900 4.218
46 HZ3 LYS 4 HZ3 LYS 4 9.663 9.191 3.624
47 H TYR 5 H TYR 5 3.456 7.637 -0.369
48 HA TYR 5 HA TYR 5 0.776 8.527 -0.865
49 HB2 TYR 5 HB2 TYR 5 1.305 8.931 -3.339
50 HB3 TYR 5 HB3 TYR 5 1.787 10.199 -2.215
51 HD1 TYR 5 HD1 TYR 5 3.068 7.296 -4.145
52 HD2 TYR 5 HD2 TYR 5 4.038 10.863 -2.036
53 HE1 TYR 5 HE1 TYR 5 5.386 7.134 -4.945
54 HE2 TYR 5 HE2 TYR 5 6.360 10.711 -2.827
55 HH TYR 5 HH TYR 5 7.493 7.912 -4.656
56 H CYS 6 H CYS 6 -0.276 7.107 -2.459
57 HA CYS 6 HA CYS 6 0.518 4.411 -2.062
58 HB2 CYS 6 HB2 CYS 6 -1.851 5.221 -2.294
59 HB3 CYS 6 HB3 CYS 6 -1.542 5.470 -4.007
60 HA PRO 7 HA PRO 7 3.530 4.379 -5.396
61 HB2 PRO 7 HB2 PRO 7 3.201 1.448 -4.968
62 HB3 PRO 7 HB3 PRO 7 4.679 2.413 -5.052
63 HG2 PRO 7 HG2 PRO 7 3.777 1.527 -2.712
64 HG3 PRO 7 HG3 PRO 7 4.481 3.149 -2.860
65 HD2 PRO 7 HD2 PRO 7 1.614 2.337 -2.643
66 HD3 PRO 7 HD3 PRO 7 2.445 3.745 -1.952
67 H LYS 8 H LYS 8 3.174 4.376 -7.516
68 HA LYS 8 HA LYS 8 0.790 4.065 -8.750
69 HB2 LYS 8 HB2 LYS 8 2.747 5.052 -9.820
70 HB3 LYS 8 HB3 LYS 8 3.508 3.472 -9.924
71 HG2 LYS 8 HG2 LYS 8 1.922 2.726 -11.532
72 HG3 LYS 8 HG3 LYS 8 0.914 4.152 -11.287
73 HD2 LYS 8 HD2 LYS 8 2.218 4.333 -13.349
74 HD3 LYS 8 HD3 LYS 8 2.690 5.570 -12.184
75 HE2 LYS 8 HE2 LYS 8 4.583 4.082 -11.501
76 HE3 LYS 8 HE3 LYS 8 4.154 3.017 -12.836
77 HZ1 LYS 8 HZ1 LYS 8 5.198 5.776 -12.952
78 HZ2 LYS 8 HZ2 LYS 8 4.408 5.078 -14.272
79 HZ3 LYS 8 HZ3 LYS 8 5.823 4.383 -13.669
80 H ILE 9 H ILE 9 3.188 1.522 -8.237
81 HA ILE 9 HA ILE 9 1.898 -0.499 -9.703
82 HB ILE 9 HB ILE 9 4.211 -0.734 -8.958
83 HG12 ILE 9 HG12 ILE 9 2.393 -2.857 -7.793
84 HG13 ILE 9 HG13 ILE 9 2.937 -2.771 -9.465
85 HG21 ILE 9 HG21 ILE 9 3.340 -1.354 -6.174
86 HG22 ILE 9 HG22 ILE 9 3.592 0.324 -6.649
87 HG23 ILE 9 HG23 ILE 9 4.915 -0.834 -6.772
88 HD11 ILE 9 HD11 ILE 9 4.511 -4.198 -8.783
89 HD12 ILE 9 HD12 ILE 9 4.303 -3.775 -7.085
90 HD13 ILE 9 HD13 ILE 9 5.302 -2.765 -8.130
91 H GLY 10 H GLY 10 1.599 0.525 -6.348
92 HA2 GLY 10 HA2 GLY 10 -0.222 -1.574 -5.643
93 HA3 GLY 10 HA3 GLY 10 0.211 -0.189 -4.658
94 H TYR 11 H TYR 11 -2.366 -1.510 -5.331
95 HA TYR 11 HA TYR 11 -3.806 0.800 -6.440
96 HB2 TYR 11 HB2 TYR 11 -5.644 -1.278 -6.241
97 HB3 TYR 11 HB3 TYR 11 -4.834 -0.745 -7.708
98 HD1 TYR 11 HD1 TYR 11 -3.768 -2.743 -4.752
99 HD2 TYR 11 HD2 TYR 11 -4.142 -2.538 -8.969
100 HE1 TYR 11 HE1 TYR 11 -2.670 -4.939 -4.942
101 HE2 TYR 11 HE2 TYR 11 -3.055 -4.732 -9.185
102 HH TYR 11 HH TYR 11 -1.569 -6.167 -7.949
103 H CYS 12 H CYS 12 -5.138 1.886 -5.162
104 HA CYS 12 HA CYS 12 -5.212 1.149 -2.349
105 HB2 CYS 12 HB2 CYS 12 -4.470 3.364 -2.777
106 HB3 CYS 12 HB3 CYS 12 -5.822 3.684 -3.852
107 H SER 13 H SER 13 -6.989 0.645 -1.214
108 HA SER 13 HA SER 13 -9.639 1.086 -2.292
109 HB2 SER 13 HB2 SER 13 -8.684 -1.729 -1.720
110 HB3 SER 13 HB3 SER 13 -10.282 -1.251 -2.293
111 HG SER 13 HG SER 13 -8.908 -0.239 -4.096
112 H ASN 14 H ASN 14 -11.319 0.135 -0.718
113 HA ASN 14 HA ASN 14 -10.926 1.245 1.813
114 HB2 ASN 14 HB2 ASN 14 -13.044 0.295 2.438
115 HB3 ASN 14 HB3 ASN 14 -13.154 0.809 0.760
116 HD21 ASN 14 HD21 ASN 14 -14.147 -0.578 -0.516
117 HD22 ASN 14 HD22 ASN 14 -14.204 -2.294 -0.307
118 H THR 15 H THR 15 -10.335 -1.970 0.608
119 HA THR 15 HA THR 15 -8.791 -2.584 2.972
120 HB THR 15 HB THR 15 -9.866 -4.827 3.261
121 HG1 THR 15 HG1 THR 15 -11.790 -3.662 1.517
122 HG21 THR 15 HG21 THR 15 -10.374 -2.713 4.639
123 HG22 THR 15 HG22 THR 15 -11.492 -4.069 4.762
124 HG23 THR 15 HG23 THR 15 -11.902 -2.677 3.762
125 H CYS 16 H CYS 16 -7.278 -4.265 2.612
126 HA CYS 16 HA CYS 16 -6.871 -4.838 -0.240
127 HB2 CYS 16 HB2 CYS 16 -4.843 -4.823 1.996
128 HB3 CYS 16 HB3 CYS 16 -4.505 -5.003 0.280
129 H SER 17 H SER 17 -6.634 -6.851 -0.966
130 HA SER 17 HA SER 17 -7.543 -9.056 0.501
131 HB2 SER 17 HB2 SER 17 -5.760 -9.146 -1.948
132 HB3 SER 17 HB3 SER 17 -6.926 -10.363 -1.428
133 HG SER 17 HG SER 17 -8.591 -8.881 -1.860
134 H LYS 18 H LYS 18 -6.409 -10.777 1.482
135 HA LYS 18 HA LYS 18 -4.236 -10.254 3.028
136 HB2 LYS 18 HB2 LYS 18 -4.924 -12.913 1.763
137 HB3 LYS 18 HB3 LYS 18 -3.813 -12.701 3.107
138 HG2 LYS 18 HG2 LYS 18 -5.628 -11.834 4.483
139 HG3 LYS 18 HG3 LYS 18 -6.745 -12.019 3.132
140 HD2 LYS 18 HD2 LYS 18 -6.940 -13.885 4.696
141 HD3 LYS 18 HD3 LYS 18 -6.354 -14.429 3.125
142 HE2 LYS 18 HE2 LYS 18 -5.144 -15.472 4.997
143 HE3 LYS 18 HE3 LYS 18 -4.087 -14.520 3.961
144 HZ1 LYS 18 HZ1 LYS 18 -5.120 -12.916 6.050
145 HZ2 LYS 18 HZ2 LYS 18 -3.511 -13.274 5.678
146 HZ3 LYS 18 HZ3 LYS 18 -4.390 -14.296 6.694
147 H THR 19 H THR 19 -4.206 -11.471 -0.275
148 HA THR 19 HA THR 19 -1.366 -11.754 -0.417
149 HB THR 19 HB THR 19 -2.924 -13.066 -1.834
150 HG1 THR 19 HG1 THR 19 -0.922 -11.447 -3.022
151 HG21 THR 19 HG21 THR 19 -4.261 -12.167 -3.481
152 HG22 THR 19 HG22 THR 19 -3.285 -10.705 -3.627
153 HG23 THR 19 HG23 THR 19 -4.365 -10.911 -2.249
154 H GLN 20 H GLN 20 -2.402 -9.111 0.428
155 HA GLN 20 HA GLN 20 -0.740 -7.501 -1.303
156 HB2 GLN 20 HB2 GLN 20 -3.664 -6.816 -0.910
157 HB3 GLN 20 HB3 GLN 20 -2.472 -5.790 -1.696
158 HG2 GLN 20 HG2 GLN 20 -2.169 -7.478 -3.440
159 HG3 GLN 20 HG3 GLN 20 -3.365 -8.503 -2.653
160 HE21 GLN 20 HE21 GLN 20 -4.468 -5.495 -2.160
161 HE22 GLN 20 HE22 GLN 20 -5.479 -5.305 -3.544
162 H ILE 21 H ILE 21 0.248 -5.913 -0.194
163 HA ILE 21 HA ILE 21 0.018 -5.874 2.647
164 HB ILE 21 HB ILE 21 1.584 -4.068 0.797
165 HG12 ILE 21 HG12 ILE 21 2.479 -6.466 2.414
166 HG13 ILE 21 HG13 ILE 21 2.167 -6.485 0.683
167 HG21 ILE 21 HG21 ILE 21 1.941 -2.803 2.599
168 HG22 ILE 21 HG22 ILE 21 2.870 -4.148 3.257
169 HG23 ILE 21 HG23 ILE 21 1.165 -3.973 3.663
170 HD11 ILE 21 HD11 ILE 21 4.140 -5.558 0.197
171 HD12 ILE 21 HD12 ILE 21 4.590 -6.099 1.814
172 HD13 ILE 21 HD13 ILE 21 4.068 -4.434 1.554
173 H TRP 22 H TRP 22 -1.223 -4.639 3.894
174 HA TRP 22 HA TRP 22 -2.992 -2.663 2.772
175 HB2 TRP 22 HB2 TRP 22 -2.498 -3.586 5.613
176 HB3 TRP 22 HB3 TRP 22 -3.692 -2.368 5.184
177 HD1 TRP 22 HD1 TRP 22 -2.973 -5.918 3.739
178 HE1 TRP 22 HE1 TRP 22 -5.223 -7.175 3.632
179 HE3 TRP 22 HE3 TRP 22 -6.007 -2.311 5.702
180 HZ2 TRP 22 HZ2 TRP 22 -7.922 -6.693 4.307
181 HZ3 TRP 22 HZ3 TRP 22 -8.406 -2.781 5.937
182 HH2 TRP 22 HH2 TRP 22 -9.343 -4.931 5.258
183 H ALA 23 H ALA 23 -0.781 -1.607 2.062
184 HA ALA 23 HA ALA 23 0.595 -0.098 4.031
185 HB1 ALA 23 HB1 ALA 23 1.215 -0.889 1.546
186 HB2 ALA 23 HB2 ALA 23 2.043 0.416 2.393
187 HB3 ALA 23 HB3 ALA 23 0.768 0.787 1.232
188 H THR 24 H THR 24 0.157 1.819 4.885
189 HA THR 24 HA THR 24 -2.151 3.310 3.925
190 HB THR 24 HB THR 24 -0.306 3.798 6.284
191 HG1 THR 24 HG1 THR 24 -1.664 1.971 6.534
192 HG21 THR 24 HG21 THR 24 -2.278 5.504 5.020
193 HG22 THR 24 HG22 THR 24 -1.144 5.870 6.319
194 HG23 THR 24 HG23 THR 24 -2.709 5.153 6.691
195 H SER 25 H SER 25 -1.975 5.153 2.688
196 HA SER 25 HA SER 25 0.725 6.269 2.374
197 HB2 SER 25 HB2 SER 25 0.242 6.561 -0.044
198 HB3 SER 25 HB3 SER 25 0.331 4.875 0.452
199 HG SER 25 HG SER 25 -2.099 5.203 0.702
200 H HIS 26 H HIS 26 0.909 8.412 2.320
201 HA HIS 26 HA HIS 26 -1.345 10.037 3.010
202 HB2 HIS 26 HB2 HIS 26 1.590 10.534 2.626
203 HB3 HIS 26 HB3 HIS 26 0.483 11.895 2.737
204 HD1 HIS 26 HD1 HIS 26 1.183 8.744 4.763
205 HD2 HIS 26 HD2 HIS 26 0.194 12.745 5.276
206 HE1 HIS 26 HE1 HIS 26 1.122 9.111 7.250
207 HE2 HIS 26 HE2 HIS 26 0.625 11.562 7.532
208 H GLY 27 H GLY 27 -2.148 9.055 0.749
209 HA2 GLY 27 HA2 GLY 27 -2.188 11.345 -1.027
210 HA3 GLY 27 HA3 GLY 27 -1.481 9.889 -1.707
211 H CYS 28 H CYS 28 -3.273 8.080 -0.291
212 HA CYS 28 HA CYS 28 -5.717 8.635 -1.832
213 HB2 CYS 28 HB2 CYS 28 -4.497 6.681 -2.658
214 HB3 CYS 28 HB3 CYS 28 -4.552 5.958 -1.052
215 H LYS 29 H LYS 29 -7.686 8.307 -0.933
216 HA LYS 29 HA LYS 29 -8.098 8.901 1.718
217 HB2 LYS 29 HB2 LYS 29 -10.414 7.675 1.155
218 HB3 LYS 29 HB3 LYS 29 -9.999 9.268 0.543
219 HG2 LYS 29 HG2 LYS 29 -9.454 8.433 -1.585
220 HG3 LYS 29 HG3 LYS 29 -9.396 6.773 -1.006
221 HD2 LYS 29 HD2 LYS 29 -11.716 6.604 -0.876
222 HD3 LYS 29 HD3 LYS 29 -11.937 8.357 -0.866
223 HE2 LYS 29 HE2 LYS 29 -12.622 7.468 -3.004
224 HE3 LYS 29 HE3 LYS 29 -11.161 8.429 -3.212
225 HZ1 LYS 29 HZ1 LYS 29 -11.520 5.935 -4.155
226 HZ2 LYS 29 HZ2 LYS 29 -10.672 5.632 -2.728
227 HZ3 LYS 29 HZ3 LYS 29 -10.015 6.654 -3.899
228 H MET 30 H MET 30 -8.786 5.693 0.298
229 HA MET 30 HA MET 30 -8.905 4.511 2.909
230 HB2 MET 30 HB2 MET 30 -8.915 3.138 0.218
231 HB3 MET 30 HB3 MET 30 -9.423 2.448 1.752
232 HG2 MET 30 HG2 MET 30 -10.751 4.719 0.297
233 HG3 MET 30 HG3 MET 30 -11.340 3.063 0.428
234 HE1 MET 30 HE1 MET 30 -13.729 4.060 1.312
235 HE2 MET 30 HE2 MET 30 -13.014 5.656 1.082
236 HE3 MET 30 HE3 MET 30 -13.810 5.259 2.604
237 H TYR 31 H TYR 31 -7.713 1.949 1.944
238 HA TYR 31 HA TYR 31 -4.993 2.514 2.786
239 HB2 TYR 31 HB2 TYR 31 -6.342 -0.132 2.198
240 HB3 TYR 31 HB3 TYR 31 -4.745 0.070 2.898
241 HD1 TYR 31 HD1 TYR 31 -8.301 1.034 3.559
242 HD2 TYR 31 HD2 TYR 31 -4.530 -0.092 5.176
243 HE1 TYR 31 HE1 TYR 31 -9.298 0.932 5.804
244 HE2 TYR 31 HE2 TYR 31 -5.516 -0.191 7.423
245 HH TYR 31 HH TYR 31 -7.914 -0.609 8.349
246 H CYS 32 H CYS 32 -3.168 1.757 1.633
247 HA CYS 32 HA CYS 32 -3.589 1.615 -1.268
248 HB2 CYS 32 HB2 CYS 32 -2.042 3.386 -0.534
249 HB3 CYS 32 HB3 CYS 32 -1.058 2.193 0.300
250 H CYS 33 H CYS 33 -3.457 -0.340 -2.146
251 HA CYS 33 HA CYS 33 -2.272 -2.478 -0.545
252 HB2 CYS 33 HB2 CYS 33 -3.972 -2.848 -2.992
253 HB3 CYS 33 HB3 CYS 33 -3.669 -3.981 -1.689
254 H LEU 34 H LEU 34 -0.525 -3.513 -1.151
255 HA LEU 34 HA LEU 34 0.528 -3.069 -3.861
256 HB2 LEU 34 HB2 LEU 34 2.038 -3.179 -1.251
257 HB3 LEU 34 HB3 LEU 34 2.794 -3.138 -2.828
258 HG LEU 34 HG LEU 34 0.900 -0.954 -2.058
259 HD11 LEU 34 HD11 LEU 34 2.899 -1.508 -0.344
260 HD12 LEU 34 HD12 LEU 34 2.333 0.126 -0.690
261 HD13 LEU 34 HD13 LEU 34 3.761 -0.503 -1.509
262 HD21 LEU 34 HD21 LEU 34 1.977 0.248 -3.706
263 HD22 LEU 34 HD22 LEU 34 2.007 -1.388 -4.359
264 HD23 LEU 34 HD23 LEU 34 3.447 -0.721 -3.596
265 HA PRO 35 HA PRO 35 0.572 -7.467 -4.284
266 HB2 PRO 35 HB2 PRO 35 3.136 -7.095 -5.728
267 HB3 PRO 35 HB3 PRO 35 1.639 -7.858 -6.272
268 HG2 PRO 35 HG2 PRO 35 2.391 -5.449 -7.170
269 HG3 PRO 35 HG3 PRO 35 0.686 -5.855 -6.899
270 HD2 PRO 35 HD2 PRO 35 2.527 -4.181 -5.254
271 HD3 PRO 35 HD3 PRO 35 0.788 -3.991 -5.557
272 H ALA 36 H ALA 36 1.475 -9.181 -3.214
273 HA ALA 36 HA ALA 36 3.023 -8.824 -0.977
274 HB1 ALA 36 HB1 ALA 36 3.344 -11.216 -0.935
275 HB2 ALA 36 HB2 ALA 36 2.943 -11.332 -2.649
276 HB3 ALA 36 HB3 ALA 36 1.709 -10.850 -1.484
277 H SER 37 H SER 37 4.074 -9.367 -4.271
278 HA SER 37 HA SER 37 6.779 -9.954 -3.751
279 HB2 SER 37 HB2 SER 37 5.624 -8.620 -6.209
280 HB3 SER 37 HB3 SER 37 7.140 -9.514 -6.105
281 HG SER 37 HG SER 37 5.733 -11.333 -5.399
282 H TRP 38 H TRP 38 5.019 -6.964 -3.888
283 HA TRP 38 HA TRP 38 7.019 -5.118 -4.386
284 HB2 TRP 38 HB2 TRP 38 4.601 -4.579 -4.155
285 HB3 TRP 38 HB3 TRP 38 4.743 -4.811 -2.416
286 HD1 TRP 38 HD1 TRP 38 6.219 -2.509 -5.169
287 HE1 TRP 38 HE1 TRP 38 6.711 -0.216 -4.100
288 HE3 TRP 38 HE3 TRP 38 4.998 -3.586 -0.323
289 HZ2 TRP 38 HZ2 TRP 38 6.597 0.973 -1.551
290 HZ3 TRP 38 HZ3 TRP 38 5.216 -1.813 1.369
291 HH2 TRP 38 HH2 TRP 38 5.998 0.420 0.764
292 H LYS 39 H LYS 39 8.763 -4.442 -3.299
293 HA LYS 39 HA LYS 39 9.347 -5.647 -0.724
294 HB2 LYS 39 HB2 LYS 39 11.007 -3.844 -2.496
295 HB3 LYS 39 HB3 LYS 39 11.575 -4.597 -1.012
296 HG2 LYS 39 HG2 LYS 39 10.621 -6.081 -3.453
297 HG3 LYS 39 HG3 LYS 39 12.309 -5.791 -3.027
298 HD2 LYS 39 HD2 LYS 39 12.028 -7.066 -0.970
299 HD3 LYS 39 HD3 LYS 39 10.321 -7.314 -1.341
300 HE2 LYS 39 HE2 LYS 39 12.615 -8.278 -3.043
301 HE3 LYS 39 HE3 LYS 39 11.734 -9.271 -1.886
302 HZ1 LYS 39 HZ1 LYS 39 10.869 -8.242 -4.486
303 HZ2 LYS 39 HZ2 LYS 39 9.700 -8.445 -3.281
304 HZ3 LYS 39 HZ3 LYS 39 10.623 -9.761 -3.793
305 H TRP 40 H TRP 40 8.844 -4.723 1.106
306 HA TRP 40 HA TRP 40 8.070 -1.946 1.158
307 HB2 TRP 40 HB2 TRP 40 6.671 -3.584 2.308
308 HB3 TRP 40 HB3 TRP 40 8.027 -4.050 3.326
309 HD1 TRP 40 HD1 TRP 40 6.592 -3.405 5.488
310 HE1 TRP 40 HE1 TRP 40 6.111 -1.146 6.611
311 HE3 TRP 40 HE3 TRP 40 7.913 -0.263 1.646
312 HZ2 TRP 40 HZ2 TRP 40 6.262 1.580 5.972
313 HZ3 TRP 40 HZ3 TRP 40 7.717 2.157 2.008
314 HH2 TRP 40 HH2 TRP 40 6.911 3.062 4.126
315 H LYS 41 H LYS 41 9.152 -2.530 4.194
316 HA LYS 41 HA LYS 41 11.862 -1.522 3.658
317 HB2 LYS 41 HB2 LYS 41 11.648 0.034 5.507
318 HB3 LYS 41 HB3 LYS 41 10.351 0.324 4.355
319 HG2 LYS 41 HG2 LYS 41 8.849 -1.033 5.796
320 HG3 LYS 41 HG3 LYS 41 10.150 -1.130 6.979
321 HD2 LYS 41 HD2 LYS 41 9.014 1.460 5.958
322 HD3 LYS 41 HD3 LYS 41 8.446 0.653 7.419
323 HE2 LYS 41 HE2 LYS 41 11.251 1.637 6.900
324 HE3 LYS 41 HE3 LYS 41 10.061 2.400 7.952
325 HZ1 LYS 41 HZ1 LYS 41 11.518 -0.125 8.352
326 HZ2 LYS 41 HZ2 LYS 41 10.055 0.151 9.148
327 HZ3 LYS 41 HZ3 LYS 41 11.364 1.187 9.398
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 5.226 2.020 8.905
2 H2 LEU 1 H2 LEU 1 3.802 1.296 9.445
3 H3 LEU 1 H3 LEU 1 3.786 2.903 8.930
4 HA LEU 1 HA LEU 1 4.826 1.235 6.901
5 HB2 LEU 1 HB2 LEU 1 3.442 -0.435 8.097
6 HB3 LEU 1 HB3 LEU 1 2.049 0.609 7.921
7 HG LEU 1 HG LEU 1 2.160 0.332 5.473
8 HD11 LEU 1 HD11 LEU 1 4.377 -0.060 4.935
9 HD12 LEU 1 HD12 LEU 1 3.629 -1.641 4.712
10 HD13 LEU 1 HD13 LEU 1 4.563 -1.306 6.169
11 HD21 LEU 1 HD21 LEU 1 0.740 -1.142 6.771
12 HD22 LEU 1 HD22 LEU 1 2.094 -2.239 7.042
13 HD23 LEU 1 HD23 LEU 1 1.450 -2.017 5.415
14 H VAL 2 H VAL 2 4.566 3.980 7.291
15 HA VAL 2 HA VAL 2 2.231 4.788 5.735
16 HB VAL 2 HB VAL 2 2.969 7.119 6.234
17 HG11 VAL 2 HG11 VAL 2 2.226 5.155 8.361
18 HG12 VAL 2 HG12 VAL 2 1.242 6.402 7.597
19 HG13 VAL 2 HG13 VAL 2 2.478 6.850 8.773
20 HG21 VAL 2 HG21 VAL 2 4.596 7.370 8.095
21 HG22 VAL 2 HG22 VAL 2 5.301 6.763 6.600
22 HG23 VAL 2 HG23 VAL 2 4.971 5.655 7.928
23 H LEU 3 H LEU 3 2.308 5.324 3.702
24 HA LEU 3 HA LEU 3 4.856 5.366 2.279
25 HB2 LEU 3 HB2 LEU 3 1.983 4.984 1.492
26 HB3 LEU 3 HB3 LEU 3 3.186 5.374 0.290
27 HG LEU 3 HG LEU 3 4.330 3.310 0.630
28 HD11 LEU 3 HD11 LEU 3 2.443 2.697 2.898
29 HD12 LEU 3 HD12 LEU 3 4.096 3.271 3.110
30 HD13 LEU 3 HD13 LEU 3 3.797 1.718 2.331
31 HD21 LEU 3 HD21 LEU 3 1.351 3.140 0.449
32 HD22 LEU 3 HD22 LEU 3 2.334 1.674 0.408
33 HD23 LEU 3 HD23 LEU 3 2.564 2.923 -0.814
34 H LYS 4 H LYS 4 5.547 7.155 1.143
35 HA LYS 4 HA LYS 4 4.623 9.707 1.887
36 HB2 LYS 4 HB2 LYS 4 6.232 8.849 -0.529
37 HB3 LYS 4 HB3 LYS 4 5.940 10.522 -0.093
38 HG2 LYS 4 HG2 LYS 4 8.132 9.870 0.623
39 HG3 LYS 4 HG3 LYS 4 7.115 10.148 2.037
40 HD2 LYS 4 HD2 LYS 4 6.916 7.866 2.488
41 HD3 LYS 4 HD3 LYS 4 7.449 7.407 0.870
42 HE2 LYS 4 HE2 LYS 4 9.212 6.964 2.467
43 HE3 LYS 4 HE3 LYS 4 9.694 8.267 1.386
44 HZ1 LYS 4 HZ1 LYS 4 10.304 9.016 3.475
45 HZ2 LYS 4 HZ2 LYS 4 8.912 8.421 4.224
46 HZ3 LYS 4 HZ3 LYS 4 8.820 9.783 3.232
47 H TYR 5 H TYR 5 3.953 7.531 -0.689
48 HA TYR 5 HA TYR 5 1.408 8.653 -1.290
49 HB2 TYR 5 HB2 TYR 5 1.896 9.157 -3.672
50 HB3 TYR 5 HB3 TYR 5 2.779 10.220 -2.582
51 HD1 TYR 5 HD1 TYR 5 3.076 7.400 -4.925
52 HD2 TYR 5 HD2 TYR 5 5.181 10.128 -2.430
53 HE1 TYR 5 HE1 TYR 5 5.189 6.737 -5.993
54 HE2 TYR 5 HE2 TYR 5 7.299 9.476 -3.492
55 HH TYR 5 HH TYR 5 8.228 8.372 -5.218
56 H CYS 6 H CYS 6 0.206 7.243 -2.634
57 HA CYS 6 HA CYS 6 0.997 4.520 -2.393
58 HB2 CYS 6 HB2 CYS 6 -1.370 5.424 -2.259
59 HB3 CYS 6 HB3 CYS 6 -1.317 5.593 -4.010
60 HA PRO 7 HA PRO 7 3.374 4.510 -6.219
61 HB2 PRO 7 HB2 PRO 7 3.263 1.580 -5.761
62 HB3 PRO 7 HB3 PRO 7 4.666 2.625 -6.003
63 HG2 PRO 7 HG2 PRO 7 4.095 1.627 -3.592
64 HG3 PRO 7 HG3 PRO 7 4.743 3.264 -3.777
65 HD2 PRO 7 HD2 PRO 7 1.936 2.385 -3.236
66 HD3 PRO 7 HD3 PRO 7 2.833 3.773 -2.585
67 H LYS 8 H LYS 8 2.835 4.028 -8.364
68 HA LYS 8 HA LYS 8 0.225 3.890 -9.102
69 HB2 LYS 8 HB2 LYS 8 2.097 4.367 -10.653
70 HB3 LYS 8 HB3 LYS 8 2.487 2.651 -10.678
71 HG2 LYS 8 HG2 LYS 8 0.234 2.191 -11.583
72 HG3 LYS 8 HG3 LYS 8 -0.064 3.926 -11.642
73 HD2 LYS 8 HD2 LYS 8 1.819 4.193 -13.188
74 HD3 LYS 8 HD3 LYS 8 2.106 2.452 -13.131
75 HE2 LYS 8 HE2 LYS 8 -0.158 2.073 -14.020
76 HE3 LYS 8 HE3 LYS 8 -0.391 3.815 -14.126
77 HZ1 LYS 8 HZ1 LYS 8 0.513 3.737 -16.123
78 HZ2 LYS 8 HZ2 LYS 8 0.854 2.088 -15.969
79 HZ3 LYS 8 HZ3 LYS 8 1.974 3.238 -15.444
80 H ILE 9 H ILE 9 2.376 1.084 -8.694
81 HA ILE 9 HA ILE 9 0.485 -0.859 -9.465
82 HB ILE 9 HB ILE 9 2.887 -1.372 -9.293
83 HG12 ILE 9 HG12 ILE 9 1.217 -3.091 -7.441
84 HG13 ILE 9 HG13 ILE 9 1.183 -3.185 -9.197
85 HG21 ILE 9 HG21 ILE 9 2.599 -1.542 -6.317
86 HG22 ILE 9 HG22 ILE 9 3.095 -0.041 -7.097
87 HG23 ILE 9 HG23 ILE 9 4.068 -1.500 -7.292
88 HD11 ILE 9 HD11 ILE 9 3.475 -3.849 -7.372
89 HD12 ILE 9 HD12 ILE 9 3.611 -3.756 -9.128
90 HD13 ILE 9 HD13 ILE 9 2.547 -4.950 -8.387
91 H GLY 10 H GLY 10 1.107 0.769 -6.439
92 HA2 GLY 10 HA2 GLY 10 -0.369 -0.923 -4.748
93 HA3 GLY 10 HA3 GLY 10 -0.004 0.766 -4.435
94 H TYR 11 H TYR 11 -2.438 -1.334 -4.678
95 HA TYR 11 HA TYR 11 -4.298 0.360 -6.124
96 HB2 TYR 11 HB2 TYR 11 -4.952 -2.150 -4.581
97 HB3 TYR 11 HB3 TYR 11 -5.882 -1.403 -5.876
98 HD1 TYR 11 HD1 TYR 11 -2.677 -3.114 -5.155
99 HD2 TYR 11 HD2 TYR 11 -5.541 -2.047 -8.105
100 HE1 TYR 11 HE1 TYR 11 -1.531 -4.556 -6.765
101 HE2 TYR 11 HE2 TYR 11 -4.401 -3.489 -9.741
102 HH TYR 11 HH TYR 11 -1.526 -5.386 -8.832
103 H CYS 12 H CYS 12 -5.648 1.751 -5.221
104 HA CYS 12 HA CYS 12 -5.640 2.007 -2.305
105 HB2 CYS 12 HB2 CYS 12 -5.102 4.009 -3.684
106 HB3 CYS 12 HB3 CYS 12 -6.691 3.901 -4.428
107 H SER 13 H SER 13 -7.228 0.889 -1.317
108 HA SER 13 HA SER 13 -9.955 1.137 -2.299
109 HB2 SER 13 HB2 SER 13 -8.615 -1.561 -1.996
110 HB3 SER 13 HB3 SER 13 -10.329 -1.304 -2.324
111 HG SER 13 HG SER 13 -8.592 -0.003 -4.037
112 H ASN 14 H ASN 14 -11.553 0.379 -0.790
113 HA ASN 14 HA ASN 14 -11.117 1.172 1.834
114 HB2 ASN 14 HB2 ASN 14 -13.344 0.937 0.704
115 HB3 ASN 14 HB3 ASN 14 -13.208 -0.805 0.911
116 HD21 ASN 14 HD21 ASN 14 -14.533 1.892 2.161
117 HD22 ASN 14 HD22 ASN 14 -14.749 1.392 3.802
118 H THR 15 H THR 15 -10.653 -1.877 0.289
119 HA THR 15 HA THR 15 -9.236 -2.903 2.596
120 HB THR 15 HB THR 15 -10.470 -5.080 2.505
121 HG1 THR 15 HG1 THR 15 -12.738 -4.700 1.593
122 HG21 THR 15 HG21 THR 15 -10.945 -3.166 4.148
123 HG22 THR 15 HG22 THR 15 -12.168 -4.425 3.984
124 HG23 THR 15 HG23 THR 15 -12.390 -2.872 3.181
125 H CYS 16 H CYS 16 -7.710 -4.499 2.005
126 HA CYS 16 HA CYS 16 -7.434 -4.910 -0.904
127 HB2 CYS 16 HB2 CYS 16 -5.200 -4.747 1.111
128 HB3 CYS 16 HB3 CYS 16 -5.043 -4.820 -0.640
129 H SER 17 H SER 17 -6.507 -6.845 -1.619
130 HA SER 17 HA SER 17 -7.329 -9.179 -0.325
131 HB2 SER 17 HB2 SER 17 -5.715 -10.279 -1.989
132 HB3 SER 17 HB3 SER 17 -6.985 -9.273 -2.682
133 HG SER 17 HG SER 17 -4.574 -9.028 -3.299
134 H LYS 18 H LYS 18 -6.259 -10.617 1.010
135 HA LYS 18 HA LYS 18 -4.458 -9.697 2.841
136 HB2 LYS 18 HB2 LYS 18 -4.700 -12.556 1.897
137 HB3 LYS 18 HB3 LYS 18 -3.964 -12.038 3.405
138 HG2 LYS 18 HG2 LYS 18 -6.203 -11.031 4.007
139 HG3 LYS 18 HG3 LYS 18 -6.857 -11.882 2.609
140 HD2 LYS 18 HD2 LYS 18 -7.277 -13.364 4.334
141 HD3 LYS 18 HD3 LYS 18 -5.760 -13.975 3.678
142 HE2 LYS 18 HE2 LYS 18 -6.058 -12.196 6.095
143 HE3 LYS 18 HE3 LYS 18 -5.739 -13.925 6.127
144 HZ1 LYS 18 HZ1 LYS 18 -3.676 -12.926 6.420
145 HZ2 LYS 18 HZ2 LYS 18 -3.952 -11.747 5.247
146 HZ3 LYS 18 HZ3 LYS 18 -3.677 -13.347 4.789
147 H THR 19 H THR 19 -3.786 -11.036 -0.310
148 HA THR 19 HA THR 19 -1.039 -11.501 0.005
149 HB THR 19 HB THR 19 -0.972 -11.150 -2.524
150 HG1 THR 19 HG1 THR 19 -3.621 -11.409 -2.881
151 HG21 THR 19 HG21 THR 19 -1.760 -13.293 -2.896
152 HG22 THR 19 HG22 THR 19 -3.114 -13.103 -1.784
153 HG23 THR 19 HG23 THR 19 -1.480 -13.317 -1.156
154 H GLN 20 H GLN 20 -2.816 -8.584 -0.918
155 HA GLN 20 HA GLN 20 -0.362 -7.097 -1.296
156 HB2 GLN 20 HB2 GLN 20 -3.257 -6.254 -1.429
157 HB3 GLN 20 HB3 GLN 20 -1.903 -5.184 -1.765
158 HG2 GLN 20 HG2 GLN 20 -1.194 -6.729 -3.569
159 HG3 GLN 20 HG3 GLN 20 -2.640 -7.683 -3.268
160 HE21 GLN 20 HE21 GLN 20 -3.433 -4.538 -2.734
161 HE22 GLN 20 HE22 GLN 20 -4.081 -4.146 -4.276
162 H ILE 21 H ILE 21 0.604 -5.818 0.121
163 HA ILE 21 HA ILE 21 -0.039 -5.920 2.871
164 HB ILE 21 HB ILE 21 1.805 -4.013 1.417
165 HG12 ILE 21 HG12 ILE 21 2.478 -6.601 2.833
166 HG13 ILE 21 HG13 ILE 21 2.286 -6.455 1.090
167 HG21 ILE 21 HG21 ILE 21 2.894 -3.659 3.548
168 HG22 ILE 21 HG22 ILE 21 1.787 -4.785 4.334
169 HG23 ILE 21 HG23 ILE 21 1.182 -3.261 3.687
170 HD11 ILE 21 HD11 ILE 21 4.154 -4.507 2.146
171 HD12 ILE 21 HD12 ILE 21 4.348 -5.677 0.841
172 HD13 ILE 21 HD13 ILE 21 4.624 -6.166 2.513
173 H TRP 22 H TRP 22 -1.468 -4.741 4.010
174 HA TRP 22 HA TRP 22 -2.916 -2.567 2.823
175 HB2 TRP 22 HB2 TRP 22 -2.897 -3.691 5.628
176 HB3 TRP 22 HB3 TRP 22 -3.942 -2.373 5.119
177 HD1 TRP 22 HD1 TRP 22 -3.247 -5.687 3.215
178 HE1 TRP 22 HE1 TRP 22 -5.510 -6.856 2.823
179 HE3 TRP 22 HE3 TRP 22 -6.275 -2.453 5.748
180 HZ2 TRP 22 HZ2 TRP 22 -8.217 -6.452 3.505
181 HZ3 TRP 22 HZ3 TRP 22 -8.689 -2.906 5.827
182 HH2 TRP 22 HH2 TRP 22 -9.639 -4.869 4.731
183 H ALA 23 H ALA 23 -0.833 -1.410 2.368
184 HA ALA 23 HA ALA 23 0.462 -0.148 4.609
185 HB1 ALA 23 HB1 ALA 23 2.084 0.526 3.141
186 HB2 ALA 23 HB2 ALA 23 0.955 0.689 1.795
187 HB3 ALA 23 HB3 ALA 23 1.472 -0.912 2.325
188 H THR 24 H THR 24 0.179 1.851 5.379
189 HA THR 24 HA THR 24 -2.088 3.382 4.482
190 HB THR 24 HB THR 24 -1.185 5.047 6.231
191 HG1 THR 24 HG1 THR 24 0.930 3.592 6.078
192 HG21 THR 24 HG21 THR 24 -3.024 3.733 6.877
193 HG22 THR 24 HG22 THR 24 -1.827 3.474 8.145
194 HG23 THR 24 HG23 THR 24 -2.068 2.251 6.898
195 H SER 25 H SER 25 -2.026 5.209 3.212
196 HA SER 25 HA SER 25 0.630 6.161 2.372
197 HB2 SER 25 HB2 SER 25 -0.566 6.571 0.100
198 HB3 SER 25 HB3 SER 25 -0.019 4.940 0.489
199 HG SER 25 HG SER 25 -2.298 4.799 1.425
200 H HIS 26 H HIS 26 0.868 8.328 2.158
201 HA HIS 26 HA HIS 26 -1.175 10.006 3.297
202 HB2 HIS 26 HB2 HIS 26 1.256 10.354 3.724
203 HB3 HIS 26 HB3 HIS 26 1.464 10.780 2.029
204 HD1 HIS 26 HD1 HIS 26 2.387 13.004 3.442
205 HD2 HIS 26 HD2 HIS 26 -1.712 12.418 3.143
206 HE1 HIS 26 HE1 HIS 26 1.347 15.233 3.958
207 HE2 HIS 26 HE2 HIS 26 -1.113 14.895 3.541
208 H GLY 27 H GLY 27 -2.170 8.789 1.025
209 HA2 GLY 27 HA2 GLY 27 -3.294 10.877 -0.394
210 HA3 GLY 27 HA3 GLY 27 -1.883 10.385 -1.311
211 H CYS 28 H CYS 28 -4.337 8.569 0.510
212 HA CYS 28 HA CYS 28 -5.164 7.244 -1.972
213 HB2 CYS 28 HB2 CYS 28 -3.648 5.646 -1.122
214 HB3 CYS 28 HB3 CYS 28 -4.164 5.916 0.536
215 H LYS 29 H LYS 29 -7.303 6.925 -2.123
216 HA LYS 29 HA LYS 29 -9.101 8.251 -0.493
217 HB2 LYS 29 HB2 LYS 29 -9.585 5.846 -2.261
218 HB3 LYS 29 HB3 LYS 29 -10.848 6.877 -1.602
219 HG2 LYS 29 HG2 LYS 29 -10.117 8.738 -2.883
220 HG3 LYS 29 HG3 LYS 29 -8.644 7.904 -3.365
221 HD2 LYS 29 HD2 LYS 29 -10.042 6.238 -4.567
222 HD3 LYS 29 HD3 LYS 29 -11.467 7.199 -4.163
223 HE2 LYS 29 HE2 LYS 29 -10.698 7.690 -6.423
224 HE3 LYS 29 HE3 LYS 29 -10.532 9.101 -5.380
225 HZ1 LYS 29 HZ1 LYS 29 -8.524 9.067 -6.452
226 HZ2 LYS 29 HZ2 LYS 29 -8.441 7.383 -6.519
227 HZ3 LYS 29 HZ3 LYS 29 -8.140 8.187 -5.067
228 H MET 30 H MET 30 -7.831 5.017 -0.280
229 HA MET 30 HA MET 30 -8.917 4.780 2.413
230 HB2 MET 30 HB2 MET 30 -9.269 2.614 0.334
231 HB3 MET 30 HB3 MET 30 -9.730 2.506 2.026
232 HG2 MET 30 HG2 MET 30 -11.731 2.942 0.959
233 HG3 MET 30 HG3 MET 30 -11.229 4.535 1.517
234 HE1 MET 30 HE1 MET 30 -12.752 6.056 -0.720
235 HE2 MET 30 HE2 MET 30 -13.345 4.522 -0.086
236 HE3 MET 30 HE3 MET 30 -13.228 4.769 -1.827
237 H TYR 31 H TYR 31 -7.961 1.763 1.602
238 HA TYR 31 HA TYR 31 -5.327 2.188 2.744
239 HB2 TYR 31 HB2 TYR 31 -6.740 -0.366 1.944
240 HB3 TYR 31 HB3 TYR 31 -5.177 -0.286 2.742
241 HD1 TYR 31 HD1 TYR 31 -8.758 0.601 3.176
242 HD2 TYR 31 HD2 TYR 31 -5.043 -0.246 5.066
243 HE1 TYR 31 HE1 TYR 31 -9.894 0.512 5.350
244 HE2 TYR 31 HE2 TYR 31 -6.169 -0.333 7.250
245 HH TYR 31 HH TYR 31 -9.157 0.882 7.833
246 H CYS 32 H CYS 32 -3.421 1.915 1.704
247 HA CYS 32 HA CYS 32 -3.543 1.470 -1.201
248 HB2 CYS 32 HB2 CYS 32 -2.449 3.560 -0.632
249 HB3 CYS 32 HB3 CYS 32 -1.405 2.748 0.530
250 H CYS 33 H CYS 33 -2.725 -0.429 -1.960
251 HA CYS 33 HA CYS 33 -0.879 -1.869 -0.223
252 HB2 CYS 33 HB2 CYS 33 -3.324 -3.233 -1.308
253 HB3 CYS 33 HB3 CYS 33 -2.219 -3.800 -0.057
254 H LEU 34 H LEU 34 0.417 -3.304 -1.150
255 HA LEU 34 HA LEU 34 0.249 -3.668 -4.057
256 HB2 LEU 34 HB2 LEU 34 2.872 -3.342 -2.625
257 HB3 LEU 34 HB3 LEU 34 2.538 -3.200 -4.334
258 HG LEU 34 HG LEU 34 1.142 -1.128 -3.661
259 HD11 LEU 34 HD11 LEU 34 1.030 -0.717 -1.493
260 HD12 LEU 34 HD12 LEU 34 2.737 -0.285 -1.558
261 HD13 LEU 34 HD13 LEU 34 2.260 -1.929 -1.139
262 HD21 LEU 34 HD21 LEU 34 2.815 -0.033 -4.610
263 HD22 LEU 34 HD22 LEU 34 3.787 -1.496 -4.476
264 HD23 LEU 34 HD23 LEU 34 3.842 -0.280 -3.202
265 HA PRO 35 HA PRO 35 0.688 -8.005 -3.457
266 HB2 PRO 35 HB2 PRO 35 3.203 -7.840 -5.049
267 HB3 PRO 35 HB3 PRO 35 1.805 -8.898 -5.264
268 HG2 PRO 35 HG2 PRO 35 2.253 -6.747 -6.832
269 HG3 PRO 35 HG3 PRO 35 0.625 -7.323 -6.440
270 HD2 PRO 35 HD2 PRO 35 2.043 -4.915 -5.516
271 HD3 PRO 35 HD3 PRO 35 0.302 -5.252 -5.566
272 H ALA 36 H ALA 36 1.788 -9.403 -2.078
273 HA ALA 36 HA ALA 36 3.361 -8.372 -0.054
274 HB1 ALA 36 HB1 ALA 36 3.385 -10.473 0.791
275 HB2 ALA 36 HB2 ALA 36 3.863 -11.200 -0.740
276 HB3 ALA 36 HB3 ALA 36 2.180 -10.755 -0.465
277 H SER 37 H SER 37 4.277 -9.700 -3.154
278 HA SER 37 HA SER 37 7.030 -10.010 -2.765
279 HB2 SER 37 HB2 SER 37 5.793 -10.885 -4.722
280 HB3 SER 37 HB3 SER 37 5.573 -9.238 -5.307
281 HG SER 37 HG SER 37 8.005 -10.670 -5.010
282 H TRP 38 H TRP 38 5.094 -7.203 -3.169
283 HA TRP 38 HA TRP 38 6.785 -5.311 -4.217
284 HB2 TRP 38 HB2 TRP 38 4.461 -4.837 -3.696
285 HB3 TRP 38 HB3 TRP 38 4.789 -5.008 -1.976
286 HD1 TRP 38 HD1 TRP 38 6.176 -2.763 -4.834
287 HE1 TRP 38 HE1 TRP 38 6.421 -0.380 -3.896
288 HE3 TRP 38 HE3 TRP 38 4.680 -3.630 -0.035
289 HZ2 TRP 38 HZ2 TRP 38 6.028 0.958 -1.431
290 HZ3 TRP 38 HZ3 TRP 38 4.639 -1.751 1.553
291 HH2 TRP 38 HH2 TRP 38 5.303 0.496 0.863
292 H LYS 39 H LYS 39 8.423 -4.060 -3.481
293 HA LYS 39 HA LYS 39 9.698 -4.905 -1.011
294 HB2 LYS 39 HB2 LYS 39 10.572 -3.296 -3.381
295 HB3 LYS 39 HB3 LYS 39 11.459 -3.163 -1.871
296 HG2 LYS 39 HG2 LYS 39 12.316 -4.823 -3.592
297 HG3 LYS 39 HG3 LYS 39 12.133 -5.398 -1.934
298 HD2 LYS 39 HD2 LYS 39 10.010 -6.435 -2.506
299 HD3 LYS 39 HD3 LYS 39 10.136 -5.821 -4.157
300 HE2 LYS 39 HE2 LYS 39 10.793 -8.179 -4.006
301 HE3 LYS 39 HE3 LYS 39 12.131 -7.158 -4.526
302 HZ1 LYS 39 HZ1 LYS 39 13.027 -7.222 -2.306
303 HZ2 LYS 39 HZ2 LYS 39 12.793 -8.800 -2.859
304 HZ3 LYS 39 HZ3 LYS 39 11.714 -8.126 -1.749
305 H TRP 40 H TRP 40 9.375 -3.908 0.811
306 HA TRP 40 HA TRP 40 7.986 -1.393 0.863
307 HB2 TRP 40 HB2 TRP 40 7.448 -3.271 2.410
308 HB3 TRP 40 HB3 TRP 40 9.022 -3.059 3.163
309 HD1 TRP 40 HD1 TRP 40 7.433 -2.717 5.402
310 HE1 TRP 40 HE1 TRP 40 6.468 -0.552 6.388
311 HE3 TRP 40 HE3 TRP 40 7.788 0.315 1.276
312 HZ2 TRP 40 HZ2 TRP 40 5.930 2.074 5.542
313 HZ3 TRP 40 HZ3 TRP 40 7.029 2.636 1.467
314 HH2 TRP 40 HH2 TRP 40 6.122 3.501 3.557
315 H LYS 41 H LYS 41 9.641 -1.037 3.557
316 HA LYS 41 HA LYS 41 11.362 0.981 2.499
317 HB2 LYS 41 HB2 LYS 41 11.334 -0.153 5.297
318 HB3 LYS 41 HB3 LYS 41 11.972 1.404 4.797
319 HG2 LYS 41 HG2 LYS 41 9.787 2.222 4.302
320 HG3 LYS 41 HG3 LYS 41 9.086 0.629 4.552
321 HD2 LYS 41 HD2 LYS 41 10.510 2.157 6.709
322 HD3 LYS 41 HD3 LYS 41 8.774 2.270 6.429
323 HE2 LYS 41 HE2 LYS 41 9.057 0.684 8.158
324 HE3 LYS 41 HE3 LYS 41 8.684 -0.234 6.705
325 HZ1 LYS 41 HZ1 LYS 41 11.502 0.211 7.331
326 HZ2 LYS 41 HZ2 LYS 41 10.748 -1.131 6.631
327 HZ3 LYS 41 HZ3 LYS 41 10.654 -0.884 8.296
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 3.618 1.609 9.971
2 H2 LEU 1 H2 LEU 1 2.911 3.119 9.711
3 H3 LEU 1 H3 LEU 1 4.496 2.832 9.207
4 HA LEU 1 HA LEU 1 3.858 1.467 7.469
5 HB2 LEU 1 HB2 LEU 1 2.252 0.210 8.955
6 HB3 LEU 1 HB3 LEU 1 1.076 1.467 8.645
7 HG LEU 1 HG LEU 1 1.063 0.917 6.284
8 HD11 LEU 1 HD11 LEU 1 3.392 -0.658 7.026
9 HD12 LEU 1 HD12 LEU 1 2.894 -0.036 5.453
10 HD13 LEU 1 HD13 LEU 1 2.228 -1.553 6.052
11 HD21 LEU 1 HD21 LEU 1 -0.333 -0.907 6.479
12 HD22 LEU 1 HD22 LEU 1 -0.310 -0.303 8.133
13 HD23 LEU 1 HD23 LEU 1 0.685 -1.688 7.688
14 H VAL 2 H VAL 2 4.081 4.254 7.767
15 HA VAL 2 HA VAL 2 1.827 5.379 6.281
16 HB VAL 2 HB VAL 2 4.204 6.734 7.561
17 HG11 VAL 2 HG11 VAL 2 3.620 8.109 5.747
18 HG12 VAL 2 HG12 VAL 2 2.788 8.813 7.132
19 HG13 VAL 2 HG13 VAL 2 1.896 7.825 5.977
20 HG21 VAL 2 HG21 VAL 2 2.308 7.695 9.002
21 HG22 VAL 2 HG22 VAL 2 2.805 6.030 9.299
22 HG23 VAL 2 HG23 VAL 2 1.340 6.361 8.377
23 H LEU 3 H LEU 3 2.015 6.333 4.305
24 HA LEU 3 HA LEU 3 4.569 6.127 2.861
25 HB2 LEU 3 HB2 LEU 3 1.882 5.386 1.701
26 HB3 LEU 3 HB3 LEU 3 3.426 5.299 0.890
27 HG LEU 3 HG LEU 3 2.744 3.614 3.292
28 HD11 LEU 3 HD11 LEU 3 2.191 3.214 0.382
29 HD12 LEU 3 HD12 LEU 3 1.171 2.863 1.776
30 HD13 LEU 3 HD13 LEU 3 2.553 1.829 1.411
31 HD21 LEU 3 HD21 LEU 3 4.913 3.554 1.208
32 HD22 LEU 3 HD22 LEU 3 4.568 2.201 2.284
33 HD23 LEU 3 HD23 LEU 3 5.089 3.749 2.950
34 H LYS 4 H LYS 4 4.914 7.811 1.404
35 HA LYS 4 HA LYS 4 3.553 10.236 1.831
36 HB2 LYS 4 HB2 LYS 4 5.277 9.374 -0.505
37 HB3 LYS 4 HB3 LYS 4 4.727 11.019 -0.239
38 HG2 LYS 4 HG2 LYS 4 7.031 10.719 0.470
39 HG3 LYS 4 HG3 LYS 4 5.989 11.130 1.833
40 HD2 LYS 4 HD2 LYS 4 6.061 8.957 2.691
41 HD3 LYS 4 HD3 LYS 4 6.633 8.277 1.167
42 HE2 LYS 4 HE2 LYS 4 8.787 9.284 1.454
43 HE3 LYS 4 HE3 LYS 4 8.233 10.186 2.862
44 HZ1 LYS 4 HZ1 LYS 4 8.238 8.315 4.169
45 HZ2 LYS 4 HZ2 LYS 4 9.577 8.023 3.182
46 HZ3 LYS 4 HZ3 LYS 4 8.108 7.248 2.869
47 H TYR 5 H TYR 5 3.329 7.764 -0.614
48 HA TYR 5 HA TYR 5 0.602 8.383 -1.241
49 HB2 TYR 5 HB2 TYR 5 1.191 8.668 -3.731
50 HB3 TYR 5 HB3 TYR 5 1.480 10.049 -2.678
51 HD1 TYR 5 HD1 TYR 5 3.181 7.158 -4.293
52 HD2 TYR 5 HD2 TYR 5 3.616 10.999 -2.518
53 HE1 TYR 5 HE1 TYR 5 5.540 7.203 -4.976
54 HE2 TYR 5 HE2 TYR 5 5.975 11.057 -3.201
55 HH TYR 5 HH TYR 5 7.752 9.589 -3.818
56 H CYS 6 H CYS 6 -0.373 6.683 -2.426
57 HA CYS 6 HA CYS 6 0.880 4.160 -2.048
58 HB2 CYS 6 HB2 CYS 6 -1.602 4.612 -1.920
59 HB3 CYS 6 HB3 CYS 6 -1.599 4.720 -3.676
60 HA PRO 7 HA PRO 7 3.268 4.158 -5.827
61 HB2 PRO 7 HB2 PRO 7 3.191 1.228 -5.307
62 HB3 PRO 7 HB3 PRO 7 4.577 2.277 -5.616
63 HG2 PRO 7 HG2 PRO 7 4.068 1.374 -3.168
64 HG3 PRO 7 HG3 PRO 7 4.666 3.024 -3.426
65 HD2 PRO 7 HD2 PRO 7 1.910 2.082 -2.774
66 HD3 PRO 7 HD3 PRO 7 2.762 3.545 -2.239
67 H LYS 8 H LYS 8 2.649 3.988 -7.908
68 HA LYS 8 HA LYS 8 0.078 3.450 -8.683
69 HB2 LYS 8 HB2 LYS 8 0.937 3.254 -10.983
70 HB3 LYS 8 HB3 LYS 8 1.521 4.666 -10.117
71 HG2 LYS 8 HG2 LYS 8 3.646 3.572 -9.719
72 HG3 LYS 8 HG3 LYS 8 3.064 2.119 -10.542
73 HD2 LYS 8 HD2 LYS 8 3.081 4.811 -11.845
74 HD3 LYS 8 HD3 LYS 8 4.479 3.734 -11.908
75 HE2 LYS 8 HE2 LYS 8 3.136 2.022 -12.987
76 HE3 LYS 8 HE3 LYS 8 1.700 3.033 -12.847
77 HZ1 LYS 8 HZ1 LYS 8 2.595 4.581 -14.371
78 HZ2 LYS 8 HZ2 LYS 8 2.789 3.050 -15.063
79 HZ3 LYS 8 HZ3 LYS 8 4.110 3.837 -14.364
80 H ILE 9 H ILE 9 2.749 1.210 -8.386
81 HA ILE 9 HA ILE 9 1.661 -0.962 -9.785
82 HB ILE 9 HB ILE 9 4.001 -0.929 -9.070
83 HG12 ILE 9 HG12 ILE 9 4.166 -3.249 -8.203
84 HG13 ILE 9 HG13 ILE 9 2.437 -3.231 -7.875
85 HG21 ILE 9 HG21 ILE 9 3.473 0.137 -6.838
86 HG22 ILE 9 HG22 ILE 9 4.711 -1.116 -6.833
87 HG23 ILE 9 HG23 ILE 9 3.082 -1.482 -6.263
88 HD11 ILE 9 HD11 ILE 9 3.602 -2.826 -10.613
89 HD12 ILE 9 HD12 ILE 9 1.919 -3.133 -10.184
90 HD13 ILE 9 HD13 ILE 9 3.128 -4.397 -9.969
91 H GLY 10 H GLY 10 1.112 0.243 -6.553
92 HA2 GLY 10 HA2 GLY 10 -0.365 -2.081 -5.698
93 HA3 GLY 10 HA3 GLY 10 -0.179 -0.570 -4.821
94 H TYR 11 H TYR 11 -2.373 -0.620 -4.264
95 HA TYR 11 HA TYR 11 -4.096 0.641 -6.209
96 HB2 TYR 11 HB2 TYR 11 -5.163 -1.809 -4.816
97 HB3 TYR 11 HB3 TYR 11 -5.881 -0.912 -6.146
98 HD1 TYR 11 HD1 TYR 11 -3.114 -3.201 -5.250
99 HD2 TYR 11 HD2 TYR 11 -5.443 -1.507 -8.377
100 HE1 TYR 11 HE1 TYR 11 -2.136 -4.804 -6.830
101 HE2 TYR 11 HE2 TYR 11 -4.471 -3.108 -9.975
102 HH TYR 11 HH TYR 11 -1.904 -5.342 -9.006
103 H CYS 12 H CYS 12 -5.407 2.075 -5.200
104 HA CYS 12 HA CYS 12 -5.323 2.109 -2.275
105 HB2 CYS 12 HB2 CYS 12 -6.153 4.230 -4.267
106 HB3 CYS 12 HB3 CYS 12 -6.188 4.436 -2.518
107 H SER 13 H SER 13 -6.974 1.175 -1.243
108 HA SER 13 HA SER 13 -9.695 1.701 -2.118
109 HB2 SER 13 HB2 SER 13 -8.689 -1.148 -1.875
110 HB3 SER 13 HB3 SER 13 -10.328 -0.644 -2.287
111 HG SER 13 HG SER 13 -8.778 0.586 -3.984
112 H ASN 14 H ASN 14 -11.296 0.770 -0.585
113 HA ASN 14 HA ASN 14 -10.825 1.595 2.015
114 HB2 ASN 14 HB2 ASN 14 -13.071 1.225 0.955
115 HB3 ASN 14 HB3 ASN 14 -12.838 -0.504 1.184
116 HD21 ASN 14 HD21 ASN 14 -14.295 2.119 2.433
117 HD22 ASN 14 HD22 ASN 14 -14.423 1.637 4.087
118 H THR 15 H THR 15 -10.265 -1.488 0.513
119 HA THR 15 HA THR 15 -8.715 -2.341 2.798
120 HB THR 15 HB THR 15 -9.848 -4.610 2.788
121 HG1 THR 15 HG1 THR 15 -11.381 -3.296 0.944
122 HG21 THR 15 HG21 THR 15 -11.595 -2.345 3.733
123 HG22 THR 15 HG22 THR 15 -10.131 -2.873 4.563
124 HG23 THR 15 HG23 THR 15 -11.495 -3.976 4.396
125 H CYS 16 H CYS 16 -7.369 -4.198 2.308
126 HA CYS 16 HA CYS 16 -6.812 -4.404 -0.574
127 HB2 CYS 16 HB2 CYS 16 -4.960 -4.852 1.774
128 HB3 CYS 16 HB3 CYS 16 -4.503 -4.864 0.069
129 H SER 17 H SER 17 -6.447 -6.391 -1.524
130 HA SER 17 HA SER 17 -7.779 -8.627 -0.487
131 HB2 SER 17 HB2 SER 17 -5.503 -8.783 -2.470
132 HB3 SER 17 HB3 SER 17 -6.933 -9.809 -2.371
133 HG SER 17 HG SER 17 -6.671 -7.816 -3.947
134 H LYS 18 H LYS 18 -7.098 -10.203 0.930
135 HA LYS 18 HA LYS 18 -5.039 -9.836 2.658
136 HB2 LYS 18 HB2 LYS 18 -6.819 -11.585 2.858
137 HB3 LYS 18 HB3 LYS 18 -5.918 -12.567 1.711
138 HG2 LYS 18 HG2 LYS 18 -5.499 -13.263 4.008
139 HG3 LYS 18 HG3 LYS 18 -4.029 -12.656 3.245
140 HD2 LYS 18 HD2 LYS 18 -4.355 -10.492 4.360
141 HD3 LYS 18 HD3 LYS 18 -5.814 -11.116 5.131
142 HE2 LYS 18 HE2 LYS 18 -4.490 -12.797 6.296
143 HE3 LYS 18 HE3 LYS 18 -3.031 -12.219 5.494
144 HZ1 LYS 18 HZ1 LYS 18 -4.398 -10.098 6.801
145 HZ2 LYS 18 HZ2 LYS 18 -2.804 -10.625 6.994
146 HZ3 LYS 18 HZ3 LYS 18 -4.044 -11.341 7.886
147 H THR 19 H THR 19 -4.902 -11.330 -0.498
148 HA THR 19 HA THR 19 -2.163 -12.158 -0.291
149 HB THR 19 HB THR 19 -2.448 -12.371 -2.849
150 HG1 THR 19 HG1 THR 19 -4.193 -11.299 -3.469
151 HG21 THR 19 HG21 THR 19 -2.639 -14.245 -1.216
152 HG22 THR 19 HG22 THR 19 -3.661 -14.444 -2.639
153 HG23 THR 19 HG23 THR 19 -4.370 -13.922 -1.111
154 H GLN 20 H GLN 20 -2.586 -9.406 0.393
155 HA GLN 20 HA GLN 20 -0.643 -8.175 -1.362
156 HB2 GLN 20 HB2 GLN 20 -3.376 -6.930 -0.972
157 HB3 GLN 20 HB3 GLN 20 -2.025 -6.186 -1.809
158 HG2 GLN 20 HG2 GLN 20 -2.101 -7.944 -3.500
159 HG3 GLN 20 HG3 GLN 20 -3.439 -8.708 -2.649
160 HE21 GLN 20 HE21 GLN 20 -3.350 -5.287 -2.694
161 HE22 GLN 20 HE22 GLN 20 -4.600 -5.046 -3.862
162 H ILE 21 H ILE 21 0.579 -6.701 -0.301
163 HA ILE 21 HA ILE 21 0.434 -6.564 2.529
164 HB ILE 21 HB ILE 21 2.087 -4.969 0.561
165 HG12 ILE 21 HG12 ILE 21 2.824 -7.311 2.330
166 HG13 ILE 21 HG13 ILE 21 2.504 -7.412 0.604
167 HG21 ILE 21 HG21 ILE 21 2.264 -5.114 3.566
168 HG22 ILE 21 HG22 ILE 21 1.906 -3.693 2.586
169 HG23 ILE 21 HG23 ILE 21 3.509 -4.424 2.526
170 HD11 ILE 21 HD11 ILE 21 4.780 -6.006 1.967
171 HD12 ILE 21 HD12 ILE 21 4.409 -5.832 0.251
172 HD13 ILE 21 HD13 ILE 21 4.851 -7.411 0.903
173 H TRP 22 H TRP 22 -0.393 -5.035 3.837
174 HA TRP 22 HA TRP 22 -2.004 -2.918 2.618
175 HB2 TRP 22 HB2 TRP 22 -1.878 -3.774 5.521
176 HB3 TRP 22 HB3 TRP 22 -3.069 -2.707 4.790
177 HD1 TRP 22 HD1 TRP 22 -1.905 -6.309 3.871
178 HE1 TRP 22 HE1 TRP 22 -4.011 -7.764 3.609
179 HE3 TRP 22 HE3 TRP 22 -5.454 -2.799 4.963
180 HZ2 TRP 22 HZ2 TRP 22 -6.807 -7.463 3.837
181 HZ3 TRP 22 HZ3 TRP 22 -7.822 -3.463 4.914
182 HH2 TRP 22 HH2 TRP 22 -8.482 -5.746 4.362
183 H ALA 23 H ALA 23 -1.562 -0.766 2.925
184 HA ALA 23 HA ALA 23 0.349 0.076 4.915
185 HB1 ALA 23 HB1 ALA 23 1.923 1.085 3.356
186 HB2 ALA 23 HB2 ALA 23 1.009 0.430 1.996
187 HB3 ALA 23 HB3 ALA 23 1.829 -0.659 3.114
188 H THR 24 H THR 24 0.095 2.182 5.488
189 HA THR 24 HA THR 24 -2.215 3.546 4.420
190 HB THR 24 HB THR 24 -0.302 4.559 6.528
191 HG1 THR 24 HG1 THR 24 -2.367 2.627 6.669
192 HG21 THR 24 HG21 THR 24 -3.204 5.053 6.691
193 HG22 THR 24 HG22 THR 24 -2.377 5.841 5.348
194 HG23 THR 24 HG23 THR 24 -1.851 6.137 7.006
195 H SER 25 H SER 25 -2.150 5.144 2.923
196 HA SER 25 HA SER 25 0.431 6.470 2.456
197 HB2 SER 25 HB2 SER 25 -0.141 6.548 0.029
198 HB3 SER 25 HB3 SER 25 0.107 4.913 0.637
199 HG SER 25 HG SER 25 -2.319 5.014 0.939
200 H HIS 26 H HIS 26 0.316 8.558 2.812
201 HA HIS 26 HA HIS 26 -1.920 9.994 3.519
202 HB2 HIS 26 HB2 HIS 26 0.476 10.687 3.824
203 HB3 HIS 26 HB3 HIS 26 0.511 11.135 2.126
204 HD1 HIS 26 HD1 HIS 26 1.181 13.448 3.603
205 HD2 HIS 26 HD2 HIS 26 -2.808 12.316 3.351
206 HE1 HIS 26 HE1 HIS 26 -0.139 15.512 4.150
207 HE2 HIS 26 HE2 HIS 26 -2.536 14.747 4.182
208 H GLY 27 H GLY 27 -0.460 9.626 0.332
209 HA2 GLY 27 HA2 GLY 27 -2.008 11.456 -1.085
210 HA3 GLY 27 HA3 GLY 27 -1.261 10.025 -1.772
211 H CYS 28 H CYS 28 -2.847 8.237 0.017
212 HA CYS 28 HA CYS 28 -5.395 8.485 -1.424
213 HB2 CYS 28 HB2 CYS 28 -3.843 6.041 -0.608
214 HB3 CYS 28 HB3 CYS 28 -5.524 5.968 -1.127
215 H LYS 29 H LYS 29 -7.252 8.447 -0.390
216 HA LYS 29 HA LYS 29 -7.431 9.049 2.327
217 HB2 LYS 29 HB2 LYS 29 -9.881 8.643 2.016
218 HB3 LYS 29 HB3 LYS 29 -9.173 9.718 0.820
219 HG2 LYS 29 HG2 LYS 29 -9.162 7.979 -0.829
220 HG3 LYS 29 HG3 LYS 29 -9.657 6.784 0.358
221 HD2 LYS 29 HD2 LYS 29 -11.547 7.389 -0.997
222 HD3 LYS 29 HD3 LYS 29 -11.790 7.992 0.642
223 HE2 LYS 29 HE2 LYS 29 -12.455 9.662 -1.002
224 HE3 LYS 29 HE3 LYS 29 -11.073 10.221 -0.063
225 HZ1 LYS 29 HZ1 LYS 29 -9.822 9.099 -2.103
226 HZ2 LYS 29 HZ2 LYS 29 -10.306 10.714 -2.107
227 HZ3 LYS 29 HZ3 LYS 29 -11.245 9.549 -2.886
228 H MET 30 H MET 30 -8.195 6.004 0.665
229 HA MET 30 HA MET 30 -8.763 4.680 3.155
230 HB2 MET 30 HB2 MET 30 -8.660 3.665 0.312
231 HB3 MET 30 HB3 MET 30 -9.133 2.689 1.697
232 HG2 MET 30 HG2 MET 30 -11.055 3.981 2.094
233 HG3 MET 30 HG3 MET 30 -10.522 5.250 1.000
234 HE1 MET 30 HE1 MET 30 -10.673 5.141 -1.608
235 HE2 MET 30 HE2 MET 30 -11.034 3.668 -2.508
236 HE3 MET 30 HE3 MET 30 -9.548 3.784 -1.567
237 H TYR 31 H TYR 31 -7.412 2.230 1.577
238 HA TYR 31 HA TYR 31 -4.835 2.551 2.963
239 HB2 TYR 31 HB2 TYR 31 -6.242 -0.007 2.165
240 HB3 TYR 31 HB3 TYR 31 -4.750 0.116 3.085
241 HD1 TYR 31 HD1 TYR 31 -8.229 1.498 3.315
242 HD2 TYR 31 HD2 TYR 31 -4.955 -0.337 5.314
243 HE1 TYR 31 HE1 TYR 31 -9.532 1.451 5.393
244 HE2 TYR 31 HE2 TYR 31 -6.254 -0.393 7.397
245 HH TYR 31 HH TYR 31 -9.565 0.105 7.522
246 H CYS 32 H CYS 32 -3.005 1.460 1.986
247 HA CYS 32 HA CYS 32 -3.072 1.602 -0.945
248 HB2 CYS 32 HB2 CYS 32 -1.365 3.018 0.216
249 HB3 CYS 32 HB3 CYS 32 -0.661 1.555 0.894
250 H CYS 33 H CYS 33 -2.981 -0.236 -2.031
251 HA CYS 33 HA CYS 33 -2.317 -2.701 -0.564
252 HB2 CYS 33 HB2 CYS 33 -4.068 -2.459 -3.006
253 HB3 CYS 33 HB3 CYS 33 -3.951 -3.810 -1.883
254 H LEU 34 H LEU 34 -0.723 -3.983 -1.334
255 HA LEU 34 HA LEU 34 0.057 -3.761 -4.134
256 HB2 LEU 34 HB2 LEU 34 2.150 -3.582 -1.975
257 HB3 LEU 34 HB3 LEU 34 2.367 -3.386 -3.699
258 HG LEU 34 HG LEU 34 0.663 -1.367 -3.270
259 HD11 LEU 34 HD11 LEU 34 0.423 -0.755 -1.164
260 HD12 LEU 34 HD12 LEU 34 2.172 -0.708 -0.937
261 HD13 LEU 34 HD13 LEU 34 1.289 -2.211 -0.678
262 HD21 LEU 34 HD21 LEU 34 2.393 -0.214 -4.031
263 HD22 LEU 34 HD22 LEU 34 3.388 -1.651 -3.815
264 HD23 LEU 34 HD23 LEU 34 3.280 -0.452 -2.528
265 HA PRO 35 HA PRO 35 0.398 -8.140 -3.918
266 HB2 PRO 35 HB2 PRO 35 2.965 -7.860 -5.393
267 HB3 PRO 35 HB3 PRO 35 1.531 -8.807 -5.802
268 HG2 PRO 35 HG2 PRO 35 2.115 -6.536 -7.089
269 HG3 PRO 35 HG3 PRO 35 0.441 -7.002 -6.741
270 HD2 PRO 35 HD2 PRO 35 2.150 -4.945 -5.431
271 HD3 PRO 35 HD3 PRO 35 0.397 -4.949 -5.717
272 H ALA 36 H ALA 36 1.442 -9.697 -2.684
273 HA ALA 36 HA ALA 36 2.928 -8.942 -0.483
274 HB1 ALA 36 HB1 ALA 36 3.234 -11.661 -1.714
275 HB2 ALA 36 HB2 ALA 36 1.718 -11.156 -0.969
276 HB3 ALA 36 HB3 ALA 36 3.194 -11.212 -0.009
277 H SER 37 H SER 37 3.963 -9.777 -3.692
278 HA SER 37 HA SER 37 6.704 -10.160 -3.232
279 HB2 SER 37 HB2 SER 37 5.413 -9.041 -5.726
280 HB3 SER 37 HB3 SER 37 6.953 -9.891 -5.618
281 HG SER 37 HG SER 37 5.803 -11.754 -4.974
282 H TRP 38 H TRP 38 4.778 -7.272 -3.528
283 HA TRP 38 HA TRP 38 6.586 -5.350 -4.269
284 HB2 TRP 38 HB2 TRP 38 4.202 -4.900 -3.803
285 HB3 TRP 38 HB3 TRP 38 4.515 -5.094 -2.083
286 HD1 TRP 38 HD1 TRP 38 5.987 -2.852 -4.906
287 HE1 TRP 38 HE1 TRP 38 6.294 -0.485 -3.939
288 HE3 TRP 38 HE3 TRP 38 4.384 -3.717 -0.141
289 HZ2 TRP 38 HZ2 TRP 38 5.894 0.840 -1.482
290 HZ3 TRP 38 HZ3 TRP 38 4.363 -1.844 1.458
291 HH2 TRP 38 HH2 TRP 38 5.111 0.385 0.800
292 H LYS 39 H LYS 39 8.250 -4.282 -3.327
293 HA LYS 39 HA LYS 39 9.342 -5.441 -0.910
294 HB2 LYS 39 HB2 LYS 39 10.421 -3.445 -2.894
295 HB3 LYS 39 HB3 LYS 39 11.269 -3.852 -1.411
296 HG2 LYS 39 HG2 LYS 39 10.495 -5.851 -3.524
297 HG3 LYS 39 HG3 LYS 39 12.076 -5.077 -3.402
298 HD2 LYS 39 HD2 LYS 39 12.270 -6.000 -1.092
299 HD3 LYS 39 HD3 LYS 39 10.773 -6.889 -1.373
300 HE2 LYS 39 HE2 LYS 39 11.797 -8.112 -3.191
301 HE3 LYS 39 HE3 LYS 39 13.271 -7.160 -3.040
302 HZ1 LYS 39 HZ1 LYS 39 13.225 -9.451 -1.968
303 HZ2 LYS 39 HZ2 LYS 39 12.249 -8.753 -0.779
304 HZ3 LYS 39 HZ3 LYS 39 13.810 -8.173 -1.037
305 H TRP 40 H TRP 40 7.927 -4.748 0.636
306 HA TRP 40 HA TRP 40 7.407 -1.970 1.032
307 HB2 TRP 40 HB2 TRP 40 5.746 -3.682 1.611
308 HB3 TRP 40 HB3 TRP 40 6.844 -4.349 2.807
309 HD1 TRP 40 HD1 TRP 40 4.887 -3.908 4.619
310 HE1 TRP 40 HE1 TRP 40 4.299 -1.810 5.968
311 HE3 TRP 40 HE3 TRP 40 7.333 -0.402 1.792
312 HZ2 TRP 40 HZ2 TRP 40 4.800 0.965 5.854
313 HZ3 TRP 40 HZ3 TRP 40 7.225 1.946 2.492
314 HH2 TRP 40 HH2 TRP 40 5.983 2.615 4.481
315 H LYS 41 H LYS 41 7.763 -2.891 4.093
316 HA LYS 41 HA LYS 41 10.268 -1.492 4.417
317 HB2 LYS 41 HB2 LYS 41 8.323 -2.675 6.406
318 HB3 LYS 41 HB3 LYS 41 9.800 -1.845 6.867
319 HG2 LYS 41 HG2 LYS 41 9.019 0.207 5.930
320 HG3 LYS 41 HG3 LYS 41 7.617 -0.590 5.232
321 HD2 LYS 41 HD2 LYS 41 6.936 0.590 7.219
322 HD3 LYS 41 HD3 LYS 41 6.849 -1.145 7.527
323 HE2 LYS 41 HE2 LYS 41 7.832 0.002 9.425
324 HE3 LYS 41 HE3 LYS 41 9.027 -1.041 8.658
325 HZ1 LYS 41 HZ1 LYS 41 9.662 1.356 9.310
326 HZ2 LYS 41 HZ2 LYS 41 8.851 1.795 7.896
327 HZ3 LYS 41 HZ3 LYS 41 10.178 0.751 7.823
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 1.246 1.424 9.858
2 H2 LEU 1 H2 LEU 1 1.587 -0.226 9.749
3 H3 LEU 1 H3 LEU 1 0.346 0.445 8.820
4 HA LEU 1 HA LEU 1 3.209 1.136 8.558
5 HB2 LEU 1 HB2 LEU 1 2.553 -1.214 7.943
6 HB3 LEU 1 HB3 LEU 1 1.460 -0.537 6.752
7 HG LEU 1 HG LEU 1 4.441 -0.113 6.753
8 HD11 LEU 1 HD11 LEU 1 2.712 -2.189 5.492
9 HD12 LEU 1 HD12 LEU 1 4.302 -2.350 6.237
10 HD13 LEU 1 HD13 LEU 1 4.148 -1.621 4.639
11 HD21 LEU 1 HD21 LEU 1 2.210 0.868 5.086
12 HD22 LEU 1 HD22 LEU 1 3.673 0.361 4.245
13 HD23 LEU 1 HD23 LEU 1 3.756 1.619 5.475
14 H VAL 2 H VAL 2 3.540 2.983 7.428
15 HA VAL 2 HA VAL 2 1.343 3.993 5.772
16 HB VAL 2 HB VAL 2 1.804 6.285 6.540
17 HG11 VAL 2 HG11 VAL 2 -0.054 5.102 7.513
18 HG12 VAL 2 HG12 VAL 2 0.746 6.041 8.771
19 HG13 VAL 2 HG13 VAL 2 1.011 4.303 8.668
20 HG21 VAL 2 HG21 VAL 2 3.936 4.897 7.958
21 HG22 VAL 2 HG22 VAL 2 3.022 6.007 8.977
22 HG23 VAL 2 HG23 VAL 2 3.796 6.594 7.505
23 H LEU 3 H LEU 3 1.887 5.024 3.916
24 HA LEU 3 HA LEU 3 4.731 5.003 3.172
25 HB2 LEU 3 HB2 LEU 3 2.183 4.641 1.639
26 HB3 LEU 3 HB3 LEU 3 3.622 5.195 0.824
27 HG LEU 3 HG LEU 3 4.776 3.161 1.269
28 HD11 LEU 3 HD11 LEU 3 4.078 2.734 3.531
29 HD12 LEU 3 HD12 LEU 3 3.717 1.328 2.533
30 HD13 LEU 3 HD13 LEU 3 2.423 2.432 3.003
31 HD21 LEU 3 HD21 LEU 3 2.980 1.495 0.382
32 HD22 LEU 3 HD22 LEU 3 3.505 2.846 -0.623
33 HD23 LEU 3 HD23 LEU 3 1.979 2.946 0.257
34 H LYS 4 H LYS 4 5.700 6.837 2.485
35 HA LYS 4 HA LYS 4 4.505 9.378 2.906
36 HB2 LYS 4 HB2 LYS 4 6.962 8.494 1.381
37 HB3 LYS 4 HB3 LYS 4 6.480 10.176 1.482
38 HG2 LYS 4 HG2 LYS 4 8.201 9.722 3.094
39 HG3 LYS 4 HG3 LYS 4 6.689 10.065 3.931
40 HD2 LYS 4 HD2 LYS 4 6.352 7.779 4.452
41 HD3 LYS 4 HD3 LYS 4 7.623 7.266 3.340
42 HE2 LYS 4 HE2 LYS 4 9.306 8.299 4.731
43 HE3 LYS 4 HE3 LYS 4 8.067 8.939 5.808
44 HZ1 LYS 4 HZ1 LYS 4 8.062 6.061 5.397
45 HZ2 LYS 4 HZ2 LYS 4 7.783 6.951 6.805
46 HZ3 LYS 4 HZ3 LYS 4 9.363 6.683 6.274
47 H TYR 5 H TYR 5 4.749 7.135 0.365
48 HA TYR 5 HA TYR 5 2.696 8.305 -1.226
49 HB2 TYR 5 HB2 TYR 5 4.138 8.542 -3.265
50 HB3 TYR 5 HB3 TYR 5 4.491 9.720 -2.008
51 HD1 TYR 5 HD1 TYR 5 5.685 6.688 -3.701
52 HD2 TYR 5 HD2 TYR 5 6.605 9.694 -0.835
53 HE1 TYR 5 HE1 TYR 5 8.025 5.948 -3.685
54 HE2 TYR 5 HE2 TYR 5 8.954 8.965 -0.813
55 HH TYR 5 HH TYR 5 10.152 6.604 -3.109
56 H CYS 6 H CYS 6 1.836 6.765 -2.594
57 HA CYS 6 HA CYS 6 2.846 4.070 -2.185
58 HB2 CYS 6 HB2 CYS 6 0.390 4.687 -1.984
59 HB3 CYS 6 HB3 CYS 6 0.377 4.828 -3.736
60 HA PRO 7 HA PRO 7 4.950 4.045 -6.092
61 HB2 PRO 7 HB2 PRO 7 4.866 1.124 -5.933
62 HB3 PRO 7 HB3 PRO 7 6.257 2.206 -5.899
63 HG2 PRO 7 HG2 PRO 7 5.415 0.834 -3.726
64 HG3 PRO 7 HG3 PRO 7 6.210 2.413 -3.621
65 HD2 PRO 7 HD2 PRO 7 3.316 1.721 -3.376
66 HD3 PRO 7 HD3 PRO 7 4.273 2.931 -2.497
67 H LYS 8 H LYS 8 4.429 3.730 -8.226
68 HA LYS 8 HA LYS 8 1.833 3.639 -9.054
69 HB2 LYS 8 HB2 LYS 8 2.609 3.370 -11.281
70 HB3 LYS 8 HB3 LYS 8 3.843 4.285 -10.430
71 HG2 LYS 8 HG2 LYS 8 3.978 1.318 -10.902
72 HG3 LYS 8 HG3 LYS 8 4.707 2.520 -11.962
73 HD2 LYS 8 HD2 LYS 8 5.344 2.309 -9.025
74 HD3 LYS 8 HD3 LYS 8 6.249 1.454 -10.271
75 HE2 LYS 8 HE2 LYS 8 6.904 3.526 -11.297
76 HE3 LYS 8 HE3 LYS 8 5.868 4.444 -10.209
77 HZ1 LYS 8 HZ1 LYS 8 7.785 2.760 -8.871
78 HZ2 LYS 8 HZ2 LYS 8 7.391 4.378 -8.594
79 HZ3 LYS 8 HZ3 LYS 8 8.485 3.971 -9.813
80 H ILE 9 H ILE 9 3.900 0.918 -8.369
81 HA ILE 9 HA ILE 9 2.497 -1.096 -9.699
82 HB ILE 9 HB ILE 9 4.680 -1.554 -8.822
83 HG12 ILE 9 HG12 ILE 9 4.282 -3.661 -7.567
84 HG13 ILE 9 HG13 ILE 9 2.599 -3.196 -7.358
85 HG21 ILE 9 HG21 ILE 9 4.403 -1.912 -6.076
86 HG22 ILE 9 HG22 ILE 9 3.625 -0.369 -6.416
87 HG23 ILE 9 HG23 ILE 9 5.298 -0.638 -6.901
88 HD11 ILE 9 HD11 ILE 9 2.050 -3.764 -9.460
89 HD12 ILE 9 HD12 ILE 9 3.477 -4.788 -9.318
90 HD13 ILE 9 HD13 ILE 9 3.591 -3.226 -10.128
91 H GLY 10 H GLY 10 1.899 0.419 -6.585
92 HA2 GLY 10 HA2 GLY 10 -0.122 -1.517 -5.860
93 HA3 GLY 10 HA3 GLY 10 0.340 -0.098 -4.938
94 H TYR 11 H TYR 11 -2.178 -0.506 -4.866
95 HA TYR 11 HA TYR 11 -3.333 1.667 -6.388
96 HB2 TYR 11 HB2 TYR 11 -5.173 0.409 -7.312
97 HB3 TYR 11 HB3 TYR 11 -3.677 -0.348 -7.838
98 HD1 TYR 11 HD1 TYR 11 -6.467 -0.652 -5.408
99 HD2 TYR 11 HD2 TYR 11 -3.256 -2.637 -7.378
100 HE1 TYR 11 HE1 TYR 11 -7.285 -2.812 -4.568
101 HE2 TYR 11 HE2 TYR 11 -4.073 -4.791 -6.553
102 HH TYR 11 HH TYR 11 -6.809 -4.996 -4.318
103 H CYS 12 H CYS 12 -5.120 2.580 -5.288
104 HA CYS 12 HA CYS 12 -5.285 1.733 -2.513
105 HB2 CYS 12 HB2 CYS 12 -6.133 4.209 -3.981
106 HB3 CYS 12 HB3 CYS 12 -6.669 3.896 -2.333
107 H SER 13 H SER 13 -6.998 0.990 -1.472
108 HA SER 13 HA SER 13 -9.644 1.021 -2.636
109 HB2 SER 13 HB2 SER 13 -8.188 -1.591 -2.131
110 HB3 SER 13 HB3 SER 13 -9.909 -1.447 -2.492
111 HG SER 13 HG SER 13 -7.981 -0.322 -4.211
112 H ASN 14 H ASN 14 -11.252 0.107 -1.112
113 HA ASN 14 HA ASN 14 -11.074 1.193 1.423
114 HB2 ASN 14 HB2 ASN 14 -13.101 0.093 1.915
115 HB3 ASN 14 HB3 ASN 14 -13.138 0.285 0.166
116 HD21 ASN 14 HD21 ASN 14 -13.968 -1.772 2.444
117 HD22 ASN 14 HD22 ASN 14 -13.704 -3.284 1.646
118 H THR 15 H THR 15 -10.199 -1.986 0.283
119 HA THR 15 HA THR 15 -8.569 -2.452 2.627
120 HB THR 15 HB THR 15 -9.566 -4.729 2.985
121 HG1 THR 15 HG1 THR 15 -11.397 -3.687 1.096
122 HG21 THR 15 HG21 THR 15 -11.621 -2.587 3.466
123 HG22 THR 15 HG22 THR 15 -10.104 -2.655 4.363
124 HG23 THR 15 HG23 THR 15 -11.246 -3.993 4.462
125 H CYS 16 H CYS 16 -6.974 -4.059 2.235
126 HA CYS 16 HA CYS 16 -6.699 -4.766 -0.606
127 HB2 CYS 16 HB2 CYS 16 -4.589 -4.315 1.509
128 HB3 CYS 16 HB3 CYS 16 -4.258 -4.846 -0.137
129 H SER 17 H SER 17 -6.076 -6.809 -1.216
130 HA SER 17 HA SER 17 -6.947 -8.964 0.344
131 HB2 SER 17 HB2 SER 17 -6.630 -8.887 -2.188
132 HB3 SER 17 HB3 SER 17 -4.912 -9.134 -1.889
133 HG SER 17 HG SER 17 -7.073 -10.872 -1.299
134 H LYS 18 H LYS 18 -5.741 -10.560 1.503
135 HA LYS 18 HA LYS 18 -3.769 -9.635 3.187
136 HB2 LYS 18 HB2 LYS 18 -4.143 -12.499 2.293
137 HB3 LYS 18 HB3 LYS 18 -3.273 -11.978 3.728
138 HG2 LYS 18 HG2 LYS 18 -6.220 -11.733 3.188
139 HG3 LYS 18 HG3 LYS 18 -5.427 -12.745 4.392
140 HD2 LYS 18 HD2 LYS 18 -5.524 -9.730 4.350
141 HD3 LYS 18 HD3 LYS 18 -6.379 -10.798 5.461
142 HE2 LYS 18 HE2 LYS 18 -4.238 -11.584 6.351
143 HE3 LYS 18 HE3 LYS 18 -3.382 -10.520 5.237
144 HZ1 LYS 18 HZ1 LYS 18 -5.264 -9.014 6.673
145 HZ2 LYS 18 HZ2 LYS 18 -3.580 -8.881 6.686
146 HZ3 LYS 18 HZ3 LYS 18 -4.356 -9.916 7.771
147 H THR 19 H THR 19 -3.425 -11.210 0.074
148 HA THR 19 HA THR 19 -0.674 -11.644 0.059
149 HB THR 19 HB THR 19 -0.914 -11.375 -2.469
150 HG1 THR 19 HG1 THR 19 -3.630 -11.532 -2.382
151 HG21 THR 19 HG21 THR 19 -2.307 -13.311 -0.718
152 HG22 THR 19 HG22 THR 19 -1.089 -13.582 -1.963
153 HG23 THR 19 HG23 THR 19 -2.770 -13.319 -2.417
154 H GLN 20 H GLN 20 -2.514 -8.747 -0.272
155 HA GLN 20 HA GLN 20 -0.173 -7.206 -1.117
156 HB2 GLN 20 HB2 GLN 20 -3.071 -6.380 -0.904
157 HB3 GLN 20 HB3 GLN 20 -1.768 -5.413 -1.580
158 HG2 GLN 20 HG2 GLN 20 -1.589 -6.746 -3.472
159 HG3 GLN 20 HG3 GLN 20 -2.431 -8.098 -2.714
160 HE21 GLN 20 HE21 GLN 20 -2.745 -5.692 -4.929
161 HE22 GLN 20 HE22 GLN 20 -4.467 -5.561 -4.940
162 H ILE 21 H ILE 21 0.817 -5.803 0.218
163 HA ILE 21 HA ILE 21 0.279 -5.819 3.006
164 HB ILE 21 HB ILE 21 1.987 -3.911 1.387
165 HG12 ILE 21 HG12 ILE 21 2.796 -6.377 2.947
166 HG13 ILE 21 HG13 ILE 21 2.619 -6.316 1.197
167 HG21 ILE 21 HG21 ILE 21 2.021 -4.468 4.354
168 HG22 ILE 21 HG22 ILE 21 1.389 -3.009 3.592
169 HG23 ILE 21 HG23 ILE 21 3.108 -3.385 3.486
170 HD11 ILE 21 HD11 ILE 21 4.903 -5.768 2.710
171 HD12 ILE 21 HD12 ILE 21 4.362 -4.217 2.069
172 HD13 ILE 21 HD13 ILE 21 4.682 -5.560 0.974
173 H TRP 22 H TRP 22 -1.032 -4.513 4.185
174 HA TRP 22 HA TRP 22 -2.761 -2.658 2.838
175 HB2 TRP 22 HB2 TRP 22 -2.465 -3.449 5.736
176 HB3 TRP 22 HB3 TRP 22 -3.612 -2.228 5.199
177 HD1 TRP 22 HD1 TRP 22 -2.851 -5.711 3.659
178 HE1 TRP 22 HE1 TRP 22 -5.079 -6.993 3.477
179 HE3 TRP 22 HE3 TRP 22 -5.941 -2.273 5.830
180 HZ2 TRP 22 HZ2 TRP 22 -7.784 -6.592 4.169
181 HZ3 TRP 22 HZ3 TRP 22 -8.335 -2.792 6.023
182 HH2 TRP 22 HH2 TRP 22 -9.237 -4.911 5.213
183 H ALA 23 H ALA 23 -0.416 -1.698 2.281
184 HA ALA 23 HA ALA 23 0.661 0.120 4.180
185 HB1 ALA 23 HB1 ALA 23 1.533 1.010 1.744
186 HB2 ALA 23 HB2 ALA 23 1.196 -0.690 1.425
187 HB3 ALA 23 HB3 ALA 23 2.314 -0.240 2.712
188 H THR 24 H THR 24 -0.470 1.834 4.876
189 HA THR 24 HA THR 24 -2.381 3.136 3.121
190 HB THR 24 HB THR 24 -1.577 3.847 5.949
191 HG1 THR 24 HG1 THR 24 -3.038 1.804 4.982
192 HG21 THR 24 HG21 THR 24 -4.006 4.649 4.339
193 HG22 THR 24 HG22 THR 24 -2.634 5.695 4.702
194 HG23 THR 24 HG23 THR 24 -3.664 5.107 6.007
195 H SER 25 H SER 25 -1.551 4.458 1.650
196 HA SER 25 HA SER 25 0.891 5.916 2.168
197 HB2 SER 25 HB2 SER 25 0.298 6.712 -0.270
198 HB3 SER 25 HB3 SER 25 0.938 5.095 0.020
199 HG SER 25 HG SER 25 -1.152 5.498 -1.286
200 H HIS 26 H HIS 26 1.075 8.159 2.232
201 HA HIS 26 HA HIS 26 -0.859 9.620 3.515
202 HB2 HIS 26 HB2 HIS 26 1.403 10.441 3.417
203 HB3 HIS 26 HB3 HIS 26 1.331 10.584 1.665
204 HD1 HIS 26 HD1 HIS 26 -0.544 12.043 4.649
205 HD2 HIS 26 HD2 HIS 26 0.815 13.112 0.871
206 HE1 HIS 26 HE1 HIS 26 -1.166 14.462 4.370
207 HE2 HIS 26 HE2 HIS 26 -0.443 15.051 2.029
208 H GLY 27 H GLY 27 -0.089 9.837 0.042
209 HA2 GLY 27 HA2 GLY 27 -2.451 11.379 -0.505
210 HA3 GLY 27 HA3 GLY 27 -1.308 10.760 -1.686
211 H CYS 28 H CYS 28 -3.174 8.956 0.722
212 HA CYS 28 HA CYS 28 -4.640 7.692 -1.492
213 HB2 CYS 28 HB2 CYS 28 -2.846 6.209 -0.706
214 HB3 CYS 28 HB3 CYS 28 -3.501 6.276 0.922
215 H LYS 29 H LYS 29 -6.742 7.478 -1.230
216 HA LYS 29 HA LYS 29 -8.109 8.844 0.818
217 HB2 LYS 29 HB2 LYS 29 -9.000 8.526 -1.454
218 HB3 LYS 29 HB3 LYS 29 -9.122 6.797 -1.167
219 HG2 LYS 29 HG2 LYS 29 -10.725 7.288 0.671
220 HG3 LYS 29 HG3 LYS 29 -10.688 8.982 0.181
221 HD2 LYS 29 HD2 LYS 29 -11.424 8.283 -2.084
222 HD3 LYS 29 HD3 LYS 29 -11.570 6.629 -1.487
223 HE2 LYS 29 HE2 LYS 29 -13.098 9.036 -0.502
224 HE3 LYS 29 HE3 LYS 29 -13.737 7.730 -1.493
225 HZ1 LYS 29 HZ1 LYS 29 -13.770 7.854 1.229
226 HZ2 LYS 29 HZ2 LYS 29 -12.523 6.765 0.902
227 HZ3 LYS 29 HZ3 LYS 29 -14.072 6.481 0.295
228 H MET 30 H MET 30 -7.008 5.596 0.477
229 HA MET 30 HA MET 30 -7.908 4.944 3.164
230 HB2 MET 30 HB2 MET 30 -8.626 3.219 0.775
231 HB3 MET 30 HB3 MET 30 -8.952 2.833 2.459
232 HG2 MET 30 HG2 MET 30 -10.553 4.556 2.647
233 HG3 MET 30 HG3 MET 30 -10.074 5.266 1.107
234 HE1 MET 30 HE1 MET 30 -10.809 4.349 -1.265
235 HE2 MET 30 HE2 MET 30 -11.434 2.717 -1.493
236 HE3 MET 30 HE3 MET 30 -9.804 2.956 -0.869
237 H TYR 31 H TYR 31 -7.340 2.027 2.133
238 HA TYR 31 HA TYR 31 -4.503 2.145 2.732
239 HB2 TYR 31 HB2 TYR 31 -6.292 -0.244 2.209
240 HB3 TYR 31 HB3 TYR 31 -4.616 -0.320 2.735
241 HD1 TYR 31 HD1 TYR 31 -8.016 0.727 3.748
242 HD2 TYR 31 HD2 TYR 31 -4.055 -0.154 5.018
243 HE1 TYR 31 HE1 TYR 31 -8.768 0.737 6.083
244 HE2 TYR 31 HE2 TYR 31 -4.795 -0.142 7.361
245 HH TYR 31 HH TYR 31 -6.496 0.510 8.751
246 H CYS 32 H CYS 32 -2.876 1.511 1.335
247 HA CYS 32 HA CYS 32 -3.676 1.309 -1.477
248 HB2 CYS 32 HB2 CYS 32 -1.928 3.073 -0.591
249 HB3 CYS 32 HB3 CYS 32 -0.824 1.700 -0.630
250 H CYS 33 H CYS 33 -3.138 -0.484 -2.614
251 HA CYS 33 HA CYS 33 -2.246 -2.760 -1.029
252 HB2 CYS 33 HB2 CYS 33 -3.510 -2.793 -3.772
253 HB3 CYS 33 HB3 CYS 33 -3.368 -4.130 -2.636
254 H LEU 34 H LEU 34 -0.436 -3.775 -1.406
255 HA LEU 34 HA LEU 34 0.991 -3.447 -3.928
256 HB2 LEU 34 HB2 LEU 34 2.130 -2.861 -1.194
257 HB3 LEU 34 HB3 LEU 34 3.117 -3.108 -2.616
258 HG LEU 34 HG LEU 34 1.015 -0.962 -2.545
259 HD11 LEU 34 HD11 LEU 34 3.852 -0.300 -1.970
260 HD12 LEU 34 HD12 LEU 34 2.863 -0.921 -0.649
261 HD13 LEU 34 HD13 LEU 34 2.375 0.541 -1.504
262 HD21 LEU 34 HD21 LEU 34 2.338 -0.001 -4.294
263 HD22 LEU 34 HD22 LEU 34 2.041 -1.693 -4.687
264 HD23 LEU 34 HD23 LEU 34 3.608 -1.200 -4.050
265 HA PRO 35 HA PRO 35 1.212 -7.851 -3.481
266 HB2 PRO 35 HB2 PRO 35 3.864 -7.471 -4.798
267 HB3 PRO 35 HB3 PRO 35 2.545 -8.567 -5.222
268 HG2 PRO 35 HG2 PRO 35 3.007 -6.332 -6.621
269 HG3 PRO 35 HG3 PRO 35 1.365 -6.931 -6.340
270 HD2 PRO 35 HD2 PRO 35 2.772 -4.620 -5.121
271 HD3 PRO 35 HD3 PRO 35 1.040 -4.862 -5.420
272 H ALA 36 H ALA 36 2.010 -9.149 -1.896
273 HA ALA 36 HA ALA 36 3.470 -8.210 0.237
274 HB1 ALA 36 HB1 ALA 36 3.928 -10.610 0.769
275 HB2 ALA 36 HB2 ALA 36 3.231 -11.034 -0.795
276 HB3 ALA 36 HB3 ALA 36 2.236 -10.252 0.433
277 H SER 37 H SER 37 4.564 -9.264 -2.844
278 HA SER 37 HA SER 37 7.274 -9.808 -2.197
279 HB2 SER 37 HB2 SER 37 6.192 -10.629 -4.259
280 HB3 SER 37 HB3 SER 37 6.046 -8.973 -4.839
281 HG SER 37 HG SER 37 8.286 -8.833 -4.936
282 H TRP 38 H TRP 38 5.503 -6.937 -3.132
283 HA TRP 38 HA TRP 38 7.372 -5.132 -3.878
284 HB2 TRP 38 HB2 TRP 38 5.060 -4.500 -3.726
285 HB3 TRP 38 HB3 TRP 38 5.062 -4.740 -1.985
286 HD1 TRP 38 HD1 TRP 38 6.954 -2.442 -4.491
287 HE1 TRP 38 HE1 TRP 38 7.178 -0.122 -3.396
288 HE3 TRP 38 HE3 TRP 38 4.779 -3.471 0.008
289 HZ2 TRP 38 HZ2 TRP 38 6.508 1.107 -0.930
290 HZ3 TRP 38 HZ3 TRP 38 4.605 -1.676 1.682
291 HH2 TRP 38 HH2 TRP 38 5.455 0.563 1.219
292 H LYS 39 H LYS 39 8.933 -3.910 -2.961
293 HA LYS 39 HA LYS 39 9.858 -4.741 -0.342
294 HB2 LYS 39 HB2 LYS 39 11.113 -2.958 -2.435
295 HB3 LYS 39 HB3 LYS 39 11.865 -3.353 -0.895
296 HG2 LYS 39 HG2 LYS 39 11.127 -5.321 -3.055
297 HG3 LYS 39 HG3 LYS 39 12.751 -4.732 -2.694
298 HD2 LYS 39 HD2 LYS 39 12.627 -5.724 -0.467
299 HD3 LYS 39 HD3 LYS 39 10.988 -6.282 -0.795
300 HE2 LYS 39 HE2 LYS 39 11.840 -7.675 -2.627
301 HE3 LYS 39 HE3 LYS 39 13.479 -7.133 -2.268
302 HZ1 LYS 39 HZ1 LYS 39 13.491 -8.274 -0.257
303 HZ2 LYS 39 HZ2 LYS 39 12.721 -9.350 -1.309
304 HZ3 LYS 39 HZ3 LYS 39 11.812 -8.444 -0.214
305 H TRP 40 H TRP 40 9.145 -3.780 1.361
306 HA TRP 40 HA TRP 40 7.950 -1.184 1.270
307 HB2 TRP 40 HB2 TRP 40 7.007 -2.960 2.662
308 HB3 TRP 40 HB3 TRP 40 8.499 -3.049 3.586
309 HD1 TRP 40 HD1 TRP 40 6.927 -2.577 5.753
310 HE1 TRP 40 HE1 TRP 40 6.133 -0.360 6.778
311 HE3 TRP 40 HE3 TRP 40 7.749 0.528 1.757
312 HZ2 TRP 40 HZ2 TRP 40 5.880 2.328 6.007
313 HZ3 TRP 40 HZ3 TRP 40 7.206 2.911 1.997
314 HH2 TRP 40 HH2 TRP 40 6.294 3.793 4.079
315 H LYS 41 H LYS 41 9.294 -1.159 4.221
316 HA LYS 41 HA LYS 41 11.193 0.874 3.529
317 HB2 LYS 41 HB2 LYS 41 10.417 -0.392 6.159
318 HB3 LYS 41 HB3 LYS 41 11.631 0.870 6.022
319 HG2 LYS 41 HG2 LYS 41 10.037 2.451 5.273
320 HG3 LYS 41 HG3 LYS 41 8.816 1.206 5.048
321 HD2 LYS 41 HD2 LYS 41 8.344 2.463 7.066
322 HD3 LYS 41 HD3 LYS 41 8.796 0.810 7.483
323 HE2 LYS 41 HE2 LYS 41 10.745 3.107 7.499
324 HE3 LYS 41 HE3 LYS 41 9.813 2.627 8.912
325 HZ1 LYS 41 HZ1 LYS 41 10.843 0.303 8.339
326 HZ2 LYS 41 HZ2 LYS 41 11.704 1.439 9.243
327 HZ3 LYS 41 HZ3 LYS 41 12.037 1.246 7.601
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 5.145 2.888 8.503
2 H2 LEU 1 H2 LEU 1 5.225 1.271 8.975
3 H3 LEU 1 H3 LEU 1 3.813 2.154 9.234
4 HA LEU 1 HA LEU 1 4.943 1.303 6.646
5 HB2 LEU 1 HB2 LEU 1 3.693 -0.336 8.083
6 HB3 LEU 1 HB3 LEU 1 2.292 0.708 7.964
7 HG LEU 1 HG LEU 1 2.192 0.337 5.551
8 HD11 LEU 1 HD11 LEU 1 3.657 -1.562 4.662
9 HD12 LEU 1 HD12 LEU 1 4.692 -1.236 6.052
10 HD13 LEU 1 HD13 LEU 1 4.396 0.026 4.857
11 HD21 LEU 1 HD21 LEU 1 1.111 -1.222 7.235
12 HD22 LEU 1 HD22 LEU 1 2.442 -2.332 6.912
13 HD23 LEU 1 HD23 LEU 1 1.348 -1.865 5.610
14 H VAL 2 H VAL 2 4.706 4.056 7.240
15 HA VAL 2 HA VAL 2 2.229 4.949 5.999
16 HB VAL 2 HB VAL 2 4.548 6.574 7.059
17 HG11 VAL 2 HG11 VAL 2 2.732 8.388 7.025
18 HG12 VAL 2 HG12 VAL 2 1.881 7.322 5.907
19 HG13 VAL 2 HG13 VAL 2 3.480 7.939 5.493
20 HG21 VAL 2 HG21 VAL 2 2.982 7.102 8.919
21 HG22 VAL 2 HG22 VAL 2 3.483 5.412 8.870
22 HG23 VAL 2 HG23 VAL 2 1.884 5.874 8.287
23 H LEU 3 H LEU 3 2.087 5.765 3.986
24 HA LEU 3 HA LEU 3 4.506 5.726 2.316
25 HB2 LEU 3 HB2 LEU 3 1.666 4.954 1.824
26 HB3 LEU 3 HB3 LEU 3 2.659 5.463 0.489
27 HG LEU 3 HG LEU 3 4.107 3.593 0.727
28 HD11 LEU 3 HD11 LEU 3 4.318 3.527 3.141
29 HD12 LEU 3 HD12 LEU 3 3.850 1.944 2.529
30 HD13 LEU 3 HD13 LEU 3 2.649 2.985 3.297
31 HD21 LEU 3 HD21 LEU 3 2.455 1.701 0.633
32 HD22 LEU 3 HD22 LEU 3 2.110 3.059 -0.438
33 HD23 LEU 3 HD23 LEU 3 1.208 2.876 1.065
34 H LYS 4 H LYS 4 5.065 7.564 1.362
35 HA LYS 4 HA LYS 4 3.701 10.010 1.767
36 HB2 LYS 4 HB2 LYS 4 5.872 9.141 -0.138
37 HB3 LYS 4 HB3 LYS 4 5.215 10.766 -0.180
38 HG2 LYS 4 HG2 LYS 4 7.256 10.736 1.099
39 HG3 LYS 4 HG3 LYS 4 5.893 11.074 2.165
40 HD2 LYS 4 HD2 LYS 4 7.315 9.506 3.271
41 HD3 LYS 4 HD3 LYS 4 5.859 8.654 2.766
42 HE2 LYS 4 HE2 LYS 4 7.799 7.289 2.314
43 HE3 LYS 4 HE3 LYS 4 7.066 7.804 0.796
44 HZ1 LYS 4 HZ1 LYS 4 9.159 8.371 0.296
45 HZ2 LYS 4 HZ2 LYS 4 9.654 8.448 1.909
46 HZ3 LYS 4 HZ3 LYS 4 8.842 9.752 1.210
47 H TYR 5 H TYR 5 3.563 7.477 -0.488
48 HA TYR 5 HA TYR 5 1.089 8.274 -1.604
49 HB2 TYR 5 HB2 TYR 5 1.816 8.585 -3.922
50 HB3 TYR 5 HB3 TYR 5 2.556 9.793 -2.884
51 HD1 TYR 5 HD1 TYR 5 3.169 6.668 -4.742
52 HD2 TYR 5 HD2 TYR 5 4.930 9.917 -2.630
53 HE1 TYR 5 HE1 TYR 5 5.380 6.005 -5.579
54 HE2 TYR 5 HE2 TYR 5 7.146 9.265 -3.474
55 HH TYR 5 HH TYR 5 7.890 7.821 -5.769
56 H CYS 6 H CYS 6 0.166 6.613 -2.768
57 HA CYS 6 HA CYS 6 1.187 4.020 -2.169
58 HB2 CYS 6 HB2 CYS 6 -1.235 4.646 -2.234
59 HB3 CYS 6 HB3 CYS 6 -1.116 4.763 -3.981
60 HA PRO 7 HA PRO 7 4.017 3.889 -5.658
61 HB2 PRO 7 HB2 PRO 7 3.592 0.978 -5.094
62 HB3 PRO 7 HB3 PRO 7 5.097 1.852 -5.407
63 HG2 PRO 7 HG2 PRO 7 4.439 1.170 -2.928
64 HG3 PRO 7 HG3 PRO 7 5.176 2.745 -3.262
65 HD2 PRO 7 HD2 PRO 7 2.351 2.079 -2.601
66 HD3 PRO 7 HD3 PRO 7 3.291 3.533 -2.214
67 H LYS 8 H LYS 8 3.646 3.745 -7.782
68 HA LYS 8 HA LYS 8 1.213 3.616 -8.942
69 HB2 LYS 8 HB2 LYS 8 3.343 4.262 -10.058
70 HB3 LYS 8 HB3 LYS 8 3.746 2.559 -10.204
71 HG2 LYS 8 HG2 LYS 8 1.780 2.211 -11.614
72 HG3 LYS 8 HG3 LYS 8 1.375 3.921 -11.463
73 HD2 LYS 8 HD2 LYS 8 2.477 3.820 -13.506
74 HD3 LYS 8 HD3 LYS 8 3.745 4.336 -12.397
75 HE2 LYS 8 HE2 LYS 8 3.277 1.510 -13.341
76 HE3 LYS 8 HE3 LYS 8 4.518 2.598 -13.952
77 HZ1 LYS 8 HZ1 LYS 8 4.349 1.271 -11.330
78 HZ2 LYS 8 HZ2 LYS 8 5.253 2.688 -11.504
79 HZ3 LYS 8 HZ3 LYS 8 5.637 1.320 -12.415
80 H ILE 9 H ILE 9 3.296 0.874 -8.226
81 HA ILE 9 HA ILE 9 1.807 -1.092 -9.585
82 HB ILE 9 HB ILE 9 4.106 -1.485 -8.865
83 HG12 ILE 9 HG12 ILE 9 2.147 -3.391 -7.557
84 HG13 ILE 9 HG13 ILE 9 2.638 -3.423 -9.248
85 HG21 ILE 9 HG21 ILE 9 3.827 -0.245 -6.682
86 HG22 ILE 9 HG22 ILE 9 4.768 -1.733 -6.609
87 HG23 ILE 9 HG23 ILE 9 3.100 -1.717 -6.039
88 HD11 ILE 9 HD11 ILE 9 3.804 -5.124 -8.009
89 HD12 ILE 9 HD12 ILE 9 4.401 -3.926 -6.862
90 HD13 ILE 9 HD13 ILE 9 4.945 -3.889 -8.539
91 H GLY 10 H GLY 10 1.586 0.192 -6.311
92 HA2 GLY 10 HA2 GLY 10 -0.221 -1.747 -5.327
93 HA3 GLY 10 HA3 GLY 10 0.073 -0.165 -4.629
94 H TYR 11 H TYR 11 -2.263 -0.479 -4.172
95 HA TYR 11 HA TYR 11 -3.830 0.984 -6.130
96 HB2 TYR 11 HB2 TYR 11 -4.864 -1.632 -5.015
97 HB3 TYR 11 HB3 TYR 11 -5.685 -0.575 -6.147
98 HD1 TYR 11 HD1 TYR 11 -2.654 -2.726 -5.821
99 HD2 TYR 11 HD2 TYR 11 -5.540 -1.001 -8.427
100 HE1 TYR 11 HE1 TYR 11 -1.785 -4.085 -7.675
101 HE2 TYR 11 HE2 TYR 11 -4.688 -2.362 -10.285
102 HH TYR 11 HH TYR 11 -1.788 -3.844 -10.308
103 H CYS 12 H CYS 12 -5.427 2.230 -5.108
104 HA CYS 12 HA CYS 12 -5.358 2.148 -2.177
105 HB2 CYS 12 HB2 CYS 12 -6.697 4.207 -3.946
106 HB3 CYS 12 HB3 CYS 12 -6.387 4.336 -2.223
107 H SER 13 H SER 13 -6.866 0.906 -1.227
108 HA SER 13 HA SER 13 -9.623 1.110 -2.104
109 HB2 SER 13 HB2 SER 13 -9.723 -1.496 -2.089
110 HB3 SER 13 HB3 SER 13 -9.125 -0.664 -3.524
111 HG SER 13 HG SER 13 -7.381 -1.536 -1.471
112 H ASN 14 H ASN 14 -11.132 0.144 -0.671
113 HA ASN 14 HA ASN 14 -10.745 0.759 1.999
114 HB2 ASN 14 HB2 ASN 14 -12.748 -1.284 1.058
115 HB3 ASN 14 HB3 ASN 14 -12.892 -0.151 2.396
116 HD21 ASN 14 HD21 ASN 14 -14.286 1.400 1.988
117 HD22 ASN 14 HD22 ASN 14 -14.564 2.141 0.450
118 H THR 15 H THR 15 -10.522 -2.394 0.406
119 HA THR 15 HA THR 15 -8.928 -3.384 2.621
120 HB THR 15 HB THR 15 -10.348 -5.464 2.789
121 HG1 THR 15 HG1 THR 15 -11.618 -4.373 0.772
122 HG21 THR 15 HG21 THR 15 -11.696 -4.591 4.473
123 HG22 THR 15 HG22 THR 15 -11.970 -3.082 3.606
124 HG23 THR 15 HG23 THR 15 -10.406 -3.397 4.355
125 H CYS 16 H CYS 16 -7.863 -5.438 2.103
126 HA CYS 16 HA CYS 16 -7.994 -6.331 -0.650
127 HB2 CYS 16 HB2 CYS 16 -5.557 -4.986 0.509
128 HB3 CYS 16 HB3 CYS 16 -5.545 -5.901 -0.994
129 H SER 17 H SER 17 -6.771 -8.230 -1.079
130 HA SER 17 HA SER 17 -6.917 -10.219 0.814
131 HB2 SER 17 HB2 SER 17 -4.876 -10.166 -1.417
132 HB3 SER 17 HB3 SER 17 -5.687 -11.569 -0.724
133 HG SER 17 HG SER 17 -6.500 -9.916 -2.720
134 H LYS 18 H LYS 18 -5.549 -11.048 2.351
135 HA LYS 18 HA LYS 18 -3.801 -9.469 3.735
136 HB2 LYS 18 HB2 LYS 18 -4.779 -11.769 4.341
137 HB3 LYS 18 HB3 LYS 18 -3.391 -12.448 3.512
138 HG2 LYS 18 HG2 LYS 18 -3.254 -10.585 5.876
139 HG3 LYS 18 HG3 LYS 18 -3.104 -12.339 5.951
140 HD2 LYS 18 HD2 LYS 18 -1.144 -12.115 4.369
141 HD3 LYS 18 HD3 LYS 18 -1.239 -10.376 4.638
142 HE2 LYS 18 HE2 LYS 18 -0.935 -10.731 7.039
143 HE3 LYS 18 HE3 LYS 18 -0.816 -12.468 6.761
144 HZ1 LYS 18 HZ1 LYS 18 1.060 -11.608 5.111
145 HZ2 LYS 18 HZ2 LYS 18 1.367 -11.974 6.731
146 HZ3 LYS 18 HZ3 LYS 18 1.135 -10.369 6.258
147 H THR 19 H THR 19 -3.041 -11.714 1.115
148 HA THR 19 HA THR 19 -0.311 -11.666 1.100
149 HB THR 19 HB THR 19 -0.669 -11.632 -1.532
150 HG1 THR 19 HG1 THR 19 -2.725 -11.929 -2.152
151 HG21 THR 19 HG21 THR 19 -1.795 -13.913 0.087
152 HG22 THR 19 HG22 THR 19 -0.069 -13.577 -0.033
153 HG23 THR 19 HG23 THR 19 -0.991 -13.990 -1.479
154 H GLN 20 H GLN 20 -2.533 -9.208 -0.088
155 HA GLN 20 HA GLN 20 -0.397 -7.497 -1.003
156 HB2 GLN 20 HB2 GLN 20 -3.369 -7.019 -0.710
157 HB3 GLN 20 HB3 GLN 20 -2.243 -5.838 -1.364
158 HG2 GLN 20 HG2 GLN 20 -1.683 -7.402 -3.175
159 HG3 GLN 20 HG3 GLN 20 -2.863 -8.544 -2.530
160 HE21 GLN 20 HE21 GLN 20 -2.436 -6.378 -4.892
161 HE22 GLN 20 HE22 GLN 20 -4.064 -5.844 -5.125
162 H ILE 21 H ILE 21 0.574 -5.923 0.167
163 HA ILE 21 HA ILE 21 0.113 -5.819 2.988
164 HB ILE 21 HB ILE 21 1.865 -4.097 1.224
165 HG12 ILE 21 HG12 ILE 21 2.513 -6.437 3.032
166 HG13 ILE 21 HG13 ILE 21 2.499 -6.469 1.274
167 HG21 ILE 21 HG21 ILE 21 1.084 -3.153 3.519
168 HG22 ILE 21 HG22 ILE 21 2.792 -3.084 3.097
169 HG23 ILE 21 HG23 ILE 21 2.204 -4.335 4.191
170 HD11 ILE 21 HD11 ILE 21 4.232 -4.394 2.325
171 HD12 ILE 21 HD12 ILE 21 4.563 -5.670 1.156
172 HD13 ILE 21 HD13 ILE 21 4.677 -6.006 2.882
173 H TRP 22 H TRP 22 -1.273 -4.578 4.053
174 HA TRP 22 HA TRP 22 -2.867 -2.593 2.690
175 HB2 TRP 22 HB2 TRP 22 -2.797 -3.528 5.565
176 HB3 TRP 22 HB3 TRP 22 -3.916 -2.314 4.960
177 HD1 TRP 22 HD1 TRP 22 -3.015 -5.664 3.250
178 HE1 TRP 22 HE1 TRP 22 -5.182 -7.025 2.979
179 HE3 TRP 22 HE3 TRP 22 -6.226 -2.522 5.647
180 HZ2 TRP 22 HZ2 TRP 22 -7.909 -6.780 3.698
181 HZ3 TRP 22 HZ3 TRP 22 -8.592 -3.137 5.802
182 HH2 TRP 22 HH2 TRP 22 -9.419 -5.230 4.853
183 H ALA 23 H ALA 23 -0.406 -1.716 2.416
184 HA ALA 23 HA ALA 23 0.683 -0.180 4.494
185 HB1 ALA 23 HB1 ALA 23 2.062 0.837 2.819
186 HB2 ALA 23 HB2 ALA 23 0.955 0.343 1.539
187 HB3 ALA 23 HB3 ALA 23 1.879 -0.871 2.425
188 H THR 24 H THR 24 0.282 1.820 5.238
189 HA THR 24 HA THR 24 -2.112 3.156 4.313
190 HB THR 24 HB THR 24 -0.159 3.870 6.519
191 HG1 THR 24 HG1 THR 24 -2.794 2.780 6.686
192 HG21 THR 24 HG21 THR 24 -1.837 5.435 7.310
193 HG22 THR 24 HG22 THR 24 -2.903 5.009 5.971
194 HG23 THR 24 HG23 THR 24 -1.380 5.840 5.656
195 H SER 25 H SER 25 -2.085 4.717 2.779
196 HA SER 25 HA SER 25 0.377 6.285 2.465
197 HB2 SER 25 HB2 SER 25 0.301 4.601 0.656
198 HB3 SER 25 HB3 SER 25 -1.267 5.214 0.170
199 HG SER 25 HG SER 25 1.152 6.690 0.225
200 H HIS 26 H HIS 26 0.065 8.432 2.300
201 HA HIS 26 HA HIS 26 -2.422 9.591 2.842
202 HB2 HIS 26 HB2 HIS 26 0.054 10.793 1.588
203 HB3 HIS 26 HB3 HIS 26 -1.347 11.738 2.079
204 HD1 HIS 26 HD1 HIS 26 0.881 12.743 3.524
205 HD2 HIS 26 HD2 HIS 26 -0.928 9.217 4.778
206 HE1 HIS 26 HE1 HIS 26 1.559 12.453 5.926
207 HE2 HIS 26 HE2 HIS 26 0.353 10.380 6.698
208 H GLY 27 H GLY 27 -0.813 8.771 -0.138
209 HA2 GLY 27 HA2 GLY 27 -2.719 10.103 -1.836
210 HA3 GLY 27 HA3 GLY 27 -1.439 9.018 -2.348
211 H CYS 28 H CYS 28 -3.947 8.307 0.013
212 HA CYS 28 HA CYS 28 -5.493 6.726 -1.854
213 HB2 CYS 28 HB2 CYS 28 -3.937 5.452 0.405
214 HB3 CYS 28 HB3 CYS 28 -5.312 4.678 -0.368
215 H LYS 29 H LYS 29 -7.585 6.923 -1.292
216 HA LYS 29 HA LYS 29 -8.425 8.332 0.995
217 HB2 LYS 29 HB2 LYS 29 -10.063 6.315 -0.556
218 HB3 LYS 29 HB3 LYS 29 -10.673 7.634 0.427
219 HG2 LYS 29 HG2 LYS 29 -9.882 9.255 -1.140
220 HG3 LYS 29 HG3 LYS 29 -9.047 8.011 -2.075
221 HD2 LYS 29 HD2 LYS 29 -11.212 6.937 -2.544
222 HD3 LYS 29 HD3 LYS 29 -12.026 8.226 -1.653
223 HE2 LYS 29 HE2 LYS 29 -11.123 9.870 -3.247
224 HE3 LYS 29 HE3 LYS 29 -10.366 8.558 -4.148
225 HZ1 LYS 29 HZ1 LYS 29 -12.267 8.659 -5.310
226 HZ2 LYS 29 HZ2 LYS 29 -13.142 9.381 -4.057
227 HZ3 LYS 29 HZ3 LYS 29 -12.883 7.710 -4.055
228 H MET 30 H MET 30 -8.184 4.936 0.215
229 HA MET 30 HA MET 30 -8.708 4.213 3.016
230 HB2 MET 30 HB2 MET 30 -8.858 2.507 0.521
231 HB3 MET 30 HB3 MET 30 -9.252 1.980 2.152
232 HG2 MET 30 HG2 MET 30 -10.690 4.148 0.642
233 HG3 MET 30 HG3 MET 30 -11.236 2.480 0.793
234 HE1 MET 30 HE1 MET 30 -13.175 5.274 2.228
235 HE2 MET 30 HE2 MET 30 -13.885 3.798 2.882
236 HE3 MET 30 HE3 MET 30 -13.269 3.825 1.229
237 H TYR 31 H TYR 31 -7.512 1.494 2.088
238 HA TYR 31 HA TYR 31 -4.820 2.104 2.969
239 HB2 TYR 31 HB2 TYR 31 -6.050 -0.564 2.227
240 HB3 TYR 31 HB3 TYR 31 -4.495 -0.325 3.008
241 HD1 TYR 31 HD1 TYR 31 -8.145 0.173 3.475
242 HD2 TYR 31 HD2 TYR 31 -4.347 -0.289 5.331
243 HE1 TYR 31 HE1 TYR 31 -9.251 -0.075 5.653
244 HE2 TYR 31 HE2 TYR 31 -5.443 -0.540 7.521
245 HH TYR 31 HH TYR 31 -8.060 0.383 8.395
246 H CYS 32 H CYS 32 -2.952 1.341 1.851
247 HA CYS 32 HA CYS 32 -3.250 1.369 -1.072
248 HB2 CYS 32 HB2 CYS 32 -1.698 3.074 -0.332
249 HB3 CYS 32 HB3 CYS 32 -0.846 1.927 0.689
250 H CYS 33 H CYS 33 -3.311 -0.565 -1.894
251 HA CYS 33 HA CYS 33 -2.147 -2.825 -0.466
252 HB2 CYS 33 HB2 CYS 33 -4.012 -2.906 -2.821
253 HB3 CYS 33 HB3 CYS 33 -3.715 -4.160 -1.617
254 H LEU 34 H LEU 34 -0.512 -3.965 -1.250
255 HA LEU 34 HA LEU 34 0.205 -3.758 -4.071
256 HB2 LEU 34 HB2 LEU 34 2.314 -3.497 -1.940
257 HB3 LEU 34 HB3 LEU 34 2.469 -3.207 -3.658
258 HG LEU 34 HG LEU 34 0.678 -1.315 -3.130
259 HD11 LEU 34 HD11 LEU 34 1.417 -0.277 -0.921
260 HD12 LEU 34 HD12 LEU 34 2.029 -1.882 -0.524
261 HD13 LEU 34 HD13 LEU 34 0.314 -1.650 -0.854
262 HD21 LEU 34 HD21 LEU 34 3.263 -0.350 -2.266
263 HD22 LEU 34 HD22 LEU 34 2.347 0.023 -3.724
264 HD23 LEU 34 HD23 LEU 34 3.392 -1.395 -3.680
265 HA PRO 35 HA PRO 35 0.539 -8.145 -3.864
266 HB2 PRO 35 HB2 PRO 35 3.150 -7.703 -5.251
267 HB3 PRO 35 HB3 PRO 35 1.836 -8.810 -5.659
268 HG2 PRO 35 HG2 PRO 35 2.207 -6.517 -6.994
269 HG3 PRO 35 HG3 PRO 35 0.590 -7.169 -6.682
270 HD2 PRO 35 HD2 PRO 35 1.948 -4.836 -5.473
271 HD3 PRO 35 HD3 PRO 35 0.215 -5.170 -5.650
272 H ALA 36 H ALA 36 1.514 -9.661 -2.555
273 HA ALA 36 HA ALA 36 2.975 -8.881 -0.340
274 HB1 ALA 36 HB1 ALA 36 3.522 -11.626 -1.225
275 HB2 ALA 36 HB2 ALA 36 1.811 -11.211 -1.146
276 HB3 ALA 36 HB3 ALA 36 2.826 -11.038 0.284
277 H SER 37 H SER 37 4.030 -9.902 -3.505
278 HA SER 37 HA SER 37 6.758 -10.296 -3.002
279 HB2 SER 37 HB2 SER 37 5.546 -9.235 -5.562
280 HB3 SER 37 HB3 SER 37 7.045 -10.151 -5.386
281 HG SER 37 HG SER 37 5.607 -11.848 -4.467
282 H TRP 38 H TRP 38 4.870 -7.434 -3.293
283 HA TRP 38 HA TRP 38 6.611 -5.481 -4.097
284 HB2 TRP 38 HB2 TRP 38 4.230 -5.113 -3.500
285 HB3 TRP 38 HB3 TRP 38 4.662 -5.287 -1.806
286 HD1 TRP 38 HD1 TRP 38 5.890 -2.993 -4.704
287 HE1 TRP 38 HE1 TRP 38 6.113 -0.609 -3.758
288 HE3 TRP 38 HE3 TRP 38 4.526 -3.910 0.127
289 HZ2 TRP 38 HZ2 TRP 38 5.751 0.708 -1.271
290 HZ3 TRP 38 HZ3 TRP 38 4.486 -2.045 1.727
291 HH2 TRP 38 HH2 TRP 38 5.088 0.217 1.038
292 H LYS 39 H LYS 39 8.272 -4.396 -3.229
293 HA LYS 39 HA LYS 39 9.398 -5.439 -0.741
294 HB2 LYS 39 HB2 LYS 39 10.650 -3.643 -2.831
295 HB3 LYS 39 HB3 LYS 39 11.469 -4.299 -1.422
296 HG2 LYS 39 HG2 LYS 39 10.363 -5.852 -3.748
297 HG3 LYS 39 HG3 LYS 39 12.064 -5.579 -3.363
298 HD2 LYS 39 HD2 LYS 39 11.764 -6.820 -1.259
299 HD3 LYS 39 HD3 LYS 39 10.080 -7.118 -1.690
300 HE2 LYS 39 HE2 LYS 39 11.375 -9.064 -2.232
301 HE3 LYS 39 HE3 LYS 39 10.856 -8.290 -3.725
302 HZ1 LYS 39 HZ1 LYS 39 13.244 -9.052 -3.603
303 HZ2 LYS 39 HZ2 LYS 39 13.507 -7.776 -2.531
304 HZ3 LYS 39 HZ3 LYS 39 12.995 -7.462 -4.110
305 H TRP 40 H TRP 40 9.097 -4.360 1.066
306 HA TRP 40 HA TRP 40 7.982 -1.719 0.963
307 HB2 TRP 40 HB2 TRP 40 7.127 -3.390 2.552
308 HB3 TRP 40 HB3 TRP 40 8.694 -3.437 3.343
309 HD1 TRP 40 HD1 TRP 40 7.488 -2.708 5.626
310 HE1 TRP 40 HE1 TRP 40 6.763 -0.408 6.511
311 HE3 TRP 40 HE3 TRP 40 7.608 -0.039 1.240
312 HZ2 TRP 40 HZ2 TRP 40 6.300 2.170 5.501
313 HZ3 TRP 40 HZ3 TRP 40 7.012 2.338 1.306
314 HH2 TRP 40 HH2 TRP 40 6.375 3.423 3.395
315 H LYS 41 H LYS 41 9.571 -1.481 3.728
316 HA LYS 41 HA LYS 41 11.669 0.159 2.567
317 HB2 LYS 41 HB2 LYS 41 10.710 -0.204 5.409
318 HB3 LYS 41 HB3 LYS 41 12.050 0.842 4.958
319 HG2 LYS 41 HG2 LYS 41 10.597 2.223 3.635
320 HG3 LYS 41 HG3 LYS 41 9.248 1.123 3.900
321 HD2 LYS 41 HD2 LYS 41 9.039 3.056 5.347
322 HD3 LYS 41 HD3 LYS 41 9.345 1.612 6.310
323 HE2 LYS 41 HE2 LYS 41 10.652 3.521 7.104
324 HE3 LYS 41 HE3 LYS 41 11.690 2.224 6.517
325 HZ1 LYS 41 HZ1 LYS 41 11.869 4.816 5.794
326 HZ2 LYS 41 HZ2 LYS 41 10.996 4.157 4.506
327 HZ3 LYS 41 HZ3 LYS 41 12.507 3.521 4.917
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 2.938 3.126 10.279
2 H2 LEU 1 H2 LEU 1 3.109 1.459 10.481
3 H3 LEU 1 H3 LEU 1 1.714 2.082 9.766
4 HA LEU 1 HA LEU 1 4.433 2.282 8.620
5 HB2 LEU 1 HB2 LEU 1 3.540 -0.015 8.716
6 HB3 LEU 1 HB3 LEU 1 2.077 0.520 7.918
7 HG LEU 1 HG LEU 1 4.814 0.616 6.663
8 HD11 LEU 1 HD11 LEU 1 4.216 -1.685 7.049
9 HD12 LEU 1 HD12 LEU 1 4.029 -1.317 5.335
10 HD13 LEU 1 HD13 LEU 1 2.609 -1.417 6.376
11 HD21 LEU 1 HD21 LEU 1 3.231 0.668 4.586
12 HD22 LEU 1 HD22 LEU 1 3.594 2.150 5.466
13 HD23 LEU 1 HD23 LEU 1 2.066 1.313 5.742
14 H VAL 2 H VAL 2 4.541 3.998 7.253
15 HA VAL 2 HA VAL 2 2.077 4.784 5.853
16 HB VAL 2 HB VAL 2 4.031 6.708 7.116
17 HG11 VAL 2 HG11 VAL 2 2.124 8.330 6.422
18 HG12 VAL 2 HG12 VAL 2 1.714 7.072 5.258
19 HG13 VAL 2 HG13 VAL 2 3.309 7.823 5.220
20 HG21 VAL 2 HG21 VAL 2 2.719 5.887 8.870
21 HG22 VAL 2 HG22 VAL 2 1.267 5.806 7.871
22 HG23 VAL 2 HG23 VAL 2 1.899 7.371 8.383
23 H LEU 3 H LEU 3 2.276 5.298 3.763
24 HA LEU 3 HA LEU 3 4.947 5.142 2.550
25 HB2 LEU 3 HB2 LEU 3 2.178 4.524 1.594
26 HB3 LEU 3 HB3 LEU 3 3.410 4.949 0.433
27 HG LEU 3 HG LEU 3 4.719 3.031 0.979
28 HD11 LEU 3 HD11 LEU 3 2.759 2.555 3.216
29 HD12 LEU 3 HD12 LEU 3 4.456 3.003 3.378
30 HD13 LEU 3 HD13 LEU 3 4.022 1.430 2.710
31 HD21 LEU 3 HD21 LEU 3 2.835 1.214 0.770
32 HD22 LEU 3 HD22 LEU 3 3.167 2.331 -0.554
33 HD23 LEU 3 HD23 LEU 3 1.804 2.627 0.527
34 H LYS 4 H LYS 4 5.770 6.861 1.467
35 HA LYS 4 HA LYS 4 4.786 9.440 1.747
36 HB2 LYS 4 HB2 LYS 4 6.616 8.234 -0.270
37 HB3 LYS 4 HB3 LYS 4 6.248 9.943 -0.284
38 HG2 LYS 4 HG2 LYS 4 7.449 8.495 2.060
39 HG3 LYS 4 HG3 LYS 4 8.386 9.339 0.827
40 HD2 LYS 4 HD2 LYS 4 7.183 11.417 1.369
41 HD3 LYS 4 HD3 LYS 4 6.313 10.563 2.644
42 HE2 LYS 4 HE2 LYS 4 8.362 10.156 3.837
43 HE3 LYS 4 HE3 LYS 4 9.311 10.839 2.515
44 HZ1 LYS 4 HZ1 LYS 4 8.283 12.177 4.698
45 HZ2 LYS 4 HZ2 LYS 4 7.354 12.686 3.382
46 HZ3 LYS 4 HZ3 LYS 4 9.034 12.855 3.346
47 H TYR 5 H TYR 5 4.198 6.991 -0.588
48 HA TYR 5 HA TYR 5 1.754 8.058 -1.485
49 HB2 TYR 5 HB2 TYR 5 2.629 8.251 -3.945
50 HB3 TYR 5 HB3 TYR 5 2.812 9.614 -2.849
51 HD1 TYR 5 HD1 TYR 5 4.614 6.784 -4.420
52 HD2 TYR 5 HD2 TYR 5 4.949 10.432 -2.254
53 HE1 TYR 5 HE1 TYR 5 7.033 6.821 -4.855
54 HE2 TYR 5 HE2 TYR 5 7.364 10.481 -2.689
55 HH TYR 5 HH TYR 5 9.019 7.787 -4.205
56 H CYS 6 H CYS 6 0.607 6.555 -2.672
57 HA CYS 6 HA CYS 6 1.439 3.862 -2.355
58 HB2 CYS 6 HB2 CYS 6 -0.927 4.760 -2.247
59 HB3 CYS 6 HB3 CYS 6 -0.886 4.871 -4.000
60 HA PRO 7 HA PRO 7 3.881 3.618 -6.117
61 HB2 PRO 7 HB2 PRO 7 3.458 0.716 -5.606
62 HB3 PRO 7 HB3 PRO 7 4.959 1.596 -5.897
63 HG2 PRO 7 HG2 PRO 7 4.326 0.753 -3.457
64 HG3 PRO 7 HG3 PRO 7 5.112 2.324 -3.703
65 HD2 PRO 7 HD2 PRO 7 2.256 1.706 -3.083
66 HD3 PRO 7 HD3 PRO 7 3.268 3.057 -2.532
67 H LYS 8 H LYS 8 3.192 3.615 -8.167
68 HA LYS 8 HA LYS 8 0.618 3.386 -8.976
69 HB2 LYS 8 HB2 LYS 8 1.407 3.160 -11.266
70 HB3 LYS 8 HB3 LYS 8 2.351 4.342 -10.382
71 HG2 LYS 8 HG2 LYS 8 3.284 1.517 -10.675
72 HG3 LYS 8 HG3 LYS 8 3.559 2.713 -11.936
73 HD2 LYS 8 HD2 LYS 8 4.466 2.956 -9.066
74 HD3 LYS 8 HD3 LYS 8 5.488 2.492 -10.424
75 HE2 LYS 8 HE2 LYS 8 4.097 5.135 -10.022
76 HE3 LYS 8 HE3 LYS 8 5.826 4.824 -9.921
77 HZ1 LYS 8 HZ1 LYS 8 5.906 5.353 -12.057
78 HZ2 LYS 8 HZ2 LYS 8 4.225 5.352 -12.214
79 HZ3 LYS 8 HZ3 LYS 8 5.095 3.913 -12.396
80 H ILE 9 H ILE 9 2.913 0.743 -8.675
81 HA ILE 9 HA ILE 9 1.484 -1.210 -10.083
82 HB ILE 9 HB ILE 9 3.814 -1.518 -9.306
83 HG12 ILE 9 HG12 ILE 9 1.892 -3.642 -8.320
84 HG13 ILE 9 HG13 ILE 9 2.463 -3.465 -9.975
85 HG21 ILE 9 HG21 ILE 9 3.091 -0.608 -6.936
86 HG22 ILE 9 HG22 ILE 9 4.446 -1.720 -7.120
87 HG23 ILE 9 HG23 ILE 9 2.871 -2.323 -6.603
88 HD11 ILE 9 HD11 ILE 9 3.885 -4.477 -7.574
89 HD12 ILE 9 HD12 ILE 9 4.818 -3.694 -8.849
90 HD13 ILE 9 HD13 ILE 9 3.841 -5.114 -9.216
91 H GLY 10 H GLY 10 1.211 -0.069 -6.771
92 HA2 GLY 10 HA2 GLY 10 -0.656 -2.089 -5.969
93 HA3 GLY 10 HA3 GLY 10 -0.236 -0.637 -5.078
94 H TYR 11 H TYR 11 -2.521 -0.637 -4.565
95 HA TYR 11 HA TYR 11 -3.982 1.092 -6.374
96 HB2 TYR 11 HB2 TYR 11 -5.336 -1.438 -5.425
97 HB3 TYR 11 HB3 TYR 11 -5.944 -0.254 -6.573
98 HD1 TYR 11 HD1 TYR 11 -3.320 -2.847 -6.111
99 HD2 TYR 11 HD2 TYR 11 -5.595 -0.546 -8.875
100 HE1 TYR 11 HE1 TYR 11 -2.459 -4.224 -7.955
101 HE2 TYR 11 HE2 TYR 11 -4.745 -1.919 -10.728
102 HH TYR 11 HH TYR 11 -2.355 -4.485 -10.170
103 H CYS 12 H CYS 12 -5.585 2.305 -5.251
104 HA CYS 12 HA CYS 12 -5.293 2.203 -2.343
105 HB2 CYS 12 HB2 CYS 12 -6.785 4.224 -4.033
106 HB3 CYS 12 HB3 CYS 12 -6.374 4.379 -2.332
107 H SER 13 H SER 13 -6.784 1.158 -1.136
108 HA SER 13 HA SER 13 -9.578 1.198 -1.950
109 HB2 SER 13 HB2 SER 13 -8.224 -1.454 -1.434
110 HB3 SER 13 HB3 SER 13 -9.854 -1.172 -2.046
111 HG SER 13 HG SER 13 -7.436 -1.169 -3.366
112 H ASN 14 H ASN 14 -11.030 0.444 -0.313
113 HA ASN 14 HA ASN 14 -10.433 1.324 2.276
114 HB2 ASN 14 HB2 ASN 14 -12.592 0.615 2.876
115 HB3 ASN 14 HB3 ASN 14 -12.738 0.941 1.150
116 HD21 ASN 14 HD21 ASN 14 -13.751 -1.104 3.385
117 HD22 ASN 14 HD22 ASN 14 -13.852 -2.570 2.474
118 H THR 15 H THR 15 -10.055 -1.741 0.729
119 HA THR 15 HA THR 15 -8.645 -2.771 3.049
120 HB THR 15 HB THR 15 -9.883 -4.943 2.895
121 HG1 THR 15 HG1 THR 15 -11.689 -3.361 1.342
122 HG21 THR 15 HG21 THR 15 -11.744 -4.248 4.253
123 HG22 THR 15 HG22 THR 15 -11.648 -2.608 3.618
124 HG23 THR 15 HG23 THR 15 -10.359 -3.232 4.643
125 H CYS 16 H CYS 16 -7.106 -4.312 2.520
126 HA CYS 16 HA CYS 16 -6.654 -4.672 -0.361
127 HB2 CYS 16 HB2 CYS 16 -4.679 -4.637 1.927
128 HB3 CYS 16 HB3 CYS 16 -4.266 -4.915 0.237
129 H SER 17 H SER 17 -6.107 -6.653 -1.182
130 HA SER 17 HA SER 17 -7.223 -8.919 0.012
131 HB2 SER 17 HB2 SER 17 -5.054 -8.954 -2.090
132 HB3 SER 17 HB3 SER 17 -6.349 -10.125 -1.848
133 HG SER 17 HG SER 17 -7.514 -7.787 -2.178
134 H LYS 18 H LYS 18 -6.274 -10.717 1.042
135 HA LYS 18 HA LYS 18 -4.391 -10.259 2.960
136 HB2 LYS 18 HB2 LYS 18 -4.955 -12.873 1.558
137 HB3 LYS 18 HB3 LYS 18 -4.052 -12.722 3.058
138 HG2 LYS 18 HG2 LYS 18 -6.069 -11.682 4.088
139 HG3 LYS 18 HG3 LYS 18 -6.947 -12.051 2.604
140 HD2 LYS 18 HD2 LYS 18 -6.454 -14.434 2.914
141 HD3 LYS 18 HD3 LYS 18 -5.595 -14.054 4.406
142 HE2 LYS 18 HE2 LYS 18 -7.695 -13.098 5.314
143 HE3 LYS 18 HE3 LYS 18 -8.525 -13.619 3.849
144 HZ1 LYS 18 HZ1 LYS 18 -8.703 -15.149 5.806
145 HZ2 LYS 18 HZ2 LYS 18 -7.061 -15.494 5.610
146 HZ3 LYS 18 HZ3 LYS 18 -8.156 -15.866 4.380
147 H THR 19 H THR 19 -3.819 -11.460 -0.310
148 HA THR 19 HA THR 19 -0.986 -11.680 0.102
149 HB THR 19 HB THR 19 -2.401 -11.644 -2.564
150 HG1 THR 19 HG1 THR 19 -3.435 -13.328 -1.769
151 HG21 THR 19 HG21 THR 19 -0.159 -11.741 -3.053
152 HG22 THR 19 HG22 THR 19 -0.490 -13.458 -2.835
153 HG23 THR 19 HG23 THR 19 0.249 -12.531 -1.531
154 H GLN 20 H GLN 20 -1.976 -9.140 0.777
155 HA GLN 20 HA GLN 20 -0.258 -7.483 -0.848
156 HB2 GLN 20 HB2 GLN 20 -3.173 -6.755 -0.470
157 HB3 GLN 20 HB3 GLN 20 -1.950 -5.733 -1.204
158 HG2 GLN 20 HG2 GLN 20 -1.708 -7.323 -3.035
159 HG3 GLN 20 HG3 GLN 20 -2.923 -8.365 -2.292
160 HE21 GLN 20 HE21 GLN 20 -2.533 -6.293 -4.720
161 HE22 GLN 20 HE22 GLN 20 -4.119 -5.615 -4.813
162 H ILE 21 H ILE 21 0.601 -5.799 0.331
163 HA ILE 21 HA ILE 21 0.288 -5.939 3.178
164 HB ILE 21 HB ILE 21 1.834 -3.962 1.490
165 HG12 ILE 21 HG12 ILE 21 2.735 -6.423 3.009
166 HG13 ILE 21 HG13 ILE 21 2.638 -6.267 1.257
167 HG21 ILE 21 HG21 ILE 21 2.243 -4.483 4.422
168 HG22 ILE 21 HG22 ILE 21 1.162 -3.221 3.837
169 HG23 ILE 21 HG23 ILE 21 2.877 -3.163 3.441
170 HD11 ILE 21 HD11 ILE 21 4.719 -5.534 1.234
171 HD12 ILE 21 HD12 ILE 21 4.789 -5.616 2.992
172 HD13 ILE 21 HD13 ILE 21 4.240 -4.141 2.201
173 H TRP 22 H TRP 22 -1.040 -4.789 4.433
174 HA TRP 22 HA TRP 22 -2.851 -2.865 3.276
175 HB2 TRP 22 HB2 TRP 22 -2.485 -3.900 6.092
176 HB3 TRP 22 HB3 TRP 22 -3.675 -2.677 5.668
177 HD1 TRP 22 HD1 TRP 22 -2.798 -6.224 4.304
178 HE1 TRP 22 HE1 TRP 22 -5.024 -7.466 3.913
179 HE3 TRP 22 HE3 TRP 22 -6.033 -2.539 5.717
180 HZ2 TRP 22 HZ2 TRP 22 -7.787 -6.938 4.169
181 HZ3 TRP 22 HZ3 TRP 22 -8.448 -2.978 5.610
182 HH2 TRP 22 HH2 TRP 22 -9.306 -5.135 4.855
183 H ALA 23 H ALA 23 -0.481 -1.842 2.808
184 HA ALA 23 HA ALA 23 0.520 -0.177 4.907
185 HB1 ALA 23 HB1 ALA 23 1.743 0.868 2.847
186 HB2 ALA 23 HB2 ALA 23 1.125 -0.555 2.012
187 HB3 ALA 23 HB3 ALA 23 2.176 -0.743 3.416
188 H THR 24 H THR 24 -0.131 1.816 5.469
189 HA THR 24 HA THR 24 -2.270 3.063 3.969
190 HB THR 24 HB THR 24 -1.908 4.859 5.860
191 HG1 THR 24 HG1 THR 24 0.049 3.987 6.648
192 HG21 THR 24 HG21 THR 24 -3.374 3.592 7.342
193 HG22 THR 24 HG22 THR 24 -2.968 2.100 6.495
194 HG23 THR 24 HG23 THR 24 -3.863 3.372 5.663
195 H SER 25 H SER 25 -1.930 4.521 2.422
196 HA SER 25 HA SER 25 0.744 5.684 2.154
197 HB2 SER 25 HB2 SER 25 -0.097 6.232 -0.176
198 HB3 SER 25 HB3 SER 25 0.085 4.516 0.197
199 HG SER 25 HG SER 25 -1.907 4.839 -0.768
200 H HIS 26 H HIS 26 1.038 7.876 1.711
201 HA HIS 26 HA HIS 26 -0.900 9.629 2.956
202 HB2 HIS 26 HB2 HIS 26 1.592 9.798 3.327
203 HB3 HIS 26 HB3 HIS 26 1.749 10.327 1.657
204 HD1 HIS 26 HD1 HIS 26 0.303 12.652 1.138
205 HD2 HIS 26 HD2 HIS 26 1.274 11.804 5.087
206 HE1 HIS 26 HE1 HIS 26 0.080 14.826 2.371
207 HE2 HIS 26 HE2 HIS 26 0.849 14.324 4.710
208 H GLY 27 H GLY 27 -1.845 8.396 0.601
209 HA2 GLY 27 HA2 GLY 27 -2.804 10.626 -0.837
210 HA3 GLY 27 HA3 GLY 27 -1.496 9.888 -1.743
211 H CYS 28 H CYS 28 -3.868 8.215 0.253
212 HA CYS 28 HA CYS 28 -5.108 7.115 -2.173
213 HB2 CYS 28 HB2 CYS 28 -3.957 5.617 0.149
214 HB3 CYS 28 HB3 CYS 28 -5.353 4.961 -0.687
215 H LYS 29 H LYS 29 -7.298 6.736 -2.056
216 HA LYS 29 HA LYS 29 -8.886 8.274 -0.406
217 HB2 LYS 29 HB2 LYS 29 -9.566 5.631 -1.712
218 HB3 LYS 29 HB3 LYS 29 -10.749 6.737 -1.031
219 HG2 LYS 29 HG2 LYS 29 -10.156 8.426 -2.664
220 HG3 LYS 29 HG3 LYS 29 -8.899 7.379 -3.320
221 HD2 LYS 29 HD2 LYS 29 -11.828 6.673 -3.248
222 HD3 LYS 29 HD3 LYS 29 -11.017 7.389 -4.641
223 HE2 LYS 29 HE2 LYS 29 -9.577 5.470 -4.848
224 HE3 LYS 29 HE3 LYS 29 -10.220 4.779 -3.359
225 HZ1 LYS 29 HZ1 LYS 29 -11.245 3.710 -5.210
226 HZ2 LYS 29 HZ2 LYS 29 -11.688 5.187 -5.903
227 HZ3 LYS 29 HZ3 LYS 29 -12.408 4.680 -4.462
228 H MET 30 H MET 30 -7.617 5.064 0.046
229 HA MET 30 HA MET 30 -8.262 5.168 2.882
230 HB2 MET 30 HB2 MET 30 -9.044 2.886 1.058
231 HB3 MET 30 HB3 MET 30 -9.050 2.789 2.813
232 HG2 MET 30 HG2 MET 30 -10.700 4.694 1.169
233 HG3 MET 30 HG3 MET 30 -11.280 3.188 1.874
234 HE1 MET 30 HE1 MET 30 -10.979 3.943 5.714
235 HE2 MET 30 HE2 MET 30 -9.734 3.215 4.702
236 HE3 MET 30 HE3 MET 30 -11.422 2.748 4.496
237 H TYR 31 H TYR 31 -7.443 2.047 2.060
238 HA TYR 31 HA TYR 31 -4.708 2.448 2.943
239 HB2 TYR 31 HB2 TYR 31 -6.114 -0.126 2.188
240 HB3 TYR 31 HB3 TYR 31 -4.560 0.010 2.995
241 HD1 TYR 31 HD1 TYR 31 -8.141 0.963 3.443
242 HD2 TYR 31 HD2 TYR 31 -4.484 -0.168 5.297
243 HE1 TYR 31 HE1 TYR 31 -9.291 0.820 5.604
244 HE2 TYR 31 HE2 TYR 31 -5.627 -0.315 7.469
245 HH TYR 31 HH TYR 31 -7.839 -0.602 8.371
246 H CYS 32 H CYS 32 -2.910 1.459 1.817
247 HA CYS 32 HA CYS 32 -3.213 1.599 -1.104
248 HB2 CYS 32 HB2 CYS 32 -1.510 3.121 -0.284
249 HB3 CYS 32 HB3 CYS 32 -0.752 1.845 0.650
250 H CYS 33 H CYS 33 -3.216 -0.265 -2.136
251 HA CYS 33 HA CYS 33 -2.410 -2.673 -0.694
252 HB2 CYS 33 HB2 CYS 33 -4.031 -2.422 -3.237
253 HB3 CYS 33 HB3 CYS 33 -3.814 -3.873 -2.263
254 H LEU 34 H LEU 34 -0.733 -3.825 -1.297
255 HA LEU 34 HA LEU 34 0.409 -3.507 -3.964
256 HB2 LEU 34 HB2 LEU 34 1.930 -3.171 -1.377
257 HB3 LEU 34 HB3 LEU 34 2.681 -3.323 -2.950
258 HG LEU 34 HG LEU 34 0.719 -1.120 -2.394
259 HD11 LEU 34 HD11 LEU 34 3.651 -0.674 -2.127
260 HD12 LEU 34 HD12 LEU 34 2.746 -1.284 -0.743
261 HD13 LEU 34 HD13 LEU 34 2.306 0.258 -1.473
262 HD21 LEU 34 HD21 LEU 34 1.567 -1.813 -4.709
263 HD22 LEU 34 HD22 LEU 34 3.103 -1.117 -4.202
264 HD23 LEU 34 HD23 LEU 34 1.659 -0.108 -4.270
265 HA PRO 35 HA PRO 35 0.514 -7.914 -3.926
266 HB2 PRO 35 HB2 PRO 35 3.240 -7.520 -5.074
267 HB3 PRO 35 HB3 PRO 35 1.910 -8.521 -5.659
268 HG2 PRO 35 HG2 PRO 35 2.539 -6.155 -6.784
269 HG3 PRO 35 HG3 PRO 35 0.882 -6.772 -6.723
270 HD2 PRO 35 HD2 PRO 35 2.118 -4.553 -5.235
271 HD3 PRO 35 HD3 PRO 35 0.407 -4.866 -5.583
272 H ALA 36 H ALA 36 1.193 -9.412 -2.467
273 HA ALA 36 HA ALA 36 2.589 -8.754 -0.182
274 HB1 ALA 36 HB1 ALA 36 2.905 -11.210 0.137
275 HB2 ALA 36 HB2 ALA 36 2.276 -11.451 -1.491
276 HB3 ALA 36 HB3 ALA 36 1.249 -10.741 -0.247
277 H SER 37 H SER 37 3.767 -9.764 -3.283
278 HA SER 37 HA SER 37 6.402 -10.461 -2.616
279 HB2 SER 37 HB2 SER 37 5.481 -11.010 -4.795
280 HB3 SER 37 HB3 SER 37 5.245 -9.304 -5.168
281 HG SER 37 HG SER 37 7.670 -10.748 -4.939
282 H TRP 38 H TRP 38 4.844 -7.397 -3.212
283 HA TRP 38 HA TRP 38 6.922 -5.678 -3.638
284 HB2 TRP 38 HB2 TRP 38 4.535 -5.032 -3.616
285 HB3 TRP 38 HB3 TRP 38 4.526 -5.190 -1.866
286 HD1 TRP 38 HD1 TRP 38 6.424 -3.073 -4.520
287 HE1 TRP 38 HE1 TRP 38 6.784 -0.723 -3.528
288 HE3 TRP 38 HE3 TRP 38 4.419 -3.837 0.113
289 HZ2 TRP 38 HZ2 TRP 38 6.286 0.624 -1.079
290 HZ3 TRP 38 HZ3 TRP 38 4.400 -1.977 1.721
291 HH2 TRP 38 HH2 TRP 38 5.316 0.206 1.133
292 H LYS 39 H LYS 39 8.664 -5.088 -2.515
293 HA LYS 39 HA LYS 39 8.925 -6.002 0.224
294 HB2 LYS 39 HB2 LYS 39 11.282 -4.962 -0.041
295 HB3 LYS 39 HB3 LYS 39 10.905 -6.456 -0.878
296 HG2 LYS 39 HG2 LYS 39 12.168 -4.986 -2.306
297 HG3 LYS 39 HG3 LYS 39 10.540 -5.196 -2.947
298 HD2 LYS 39 HD2 LYS 39 9.886 -3.046 -2.253
299 HD3 LYS 39 HD3 LYS 39 11.303 -2.856 -1.218
300 HE2 LYS 39 HE2 LYS 39 12.721 -2.882 -3.247
301 HE3 LYS 39 HE3 LYS 39 11.266 -2.978 -4.233
302 HZ1 LYS 39 HZ1 LYS 39 12.006 -0.720 -4.125
303 HZ2 LYS 39 HZ2 LYS 39 12.035 -0.749 -2.437
304 HZ3 LYS 39 HZ3 LYS 39 10.563 -0.846 -3.258
305 H TRP 40 H TRP 40 8.799 -4.778 1.966
306 HA TRP 40 HA TRP 40 7.845 -2.095 1.623
307 HB2 TRP 40 HB2 TRP 40 6.725 -3.600 3.182
308 HB3 TRP 40 HB3 TRP 40 8.203 -3.746 4.123
309 HD1 TRP 40 HD1 TRP 40 6.793 -2.846 6.234
310 HE1 TRP 40 HE1 TRP 40 6.232 -0.456 6.988
311 HE3 TRP 40 HE3 TRP 40 7.704 -0.342 1.848
312 HZ2 TRP 40 HZ2 TRP 40 6.173 2.128 5.889
313 HZ3 TRP 40 HZ3 TRP 40 7.371 2.087 1.800
314 HH2 TRP 40 HH2 TRP 40 6.624 3.299 3.779
315 H LYS 41 H LYS 41 9.140 -1.813 4.532
316 HA LYS 41 HA LYS 41 11.582 -0.538 3.513
317 HB2 LYS 41 HB2 LYS 41 11.422 0.974 5.419
318 HB3 LYS 41 HB3 LYS 41 9.933 1.004 4.490
319 HG2 LYS 41 HG2 LYS 41 8.924 -0.537 6.145
320 HG3 LYS 41 HG3 LYS 41 10.398 -0.423 7.099
321 HD2 LYS 41 HD2 LYS 41 8.625 1.901 6.352
322 HD3 LYS 41 HD3 LYS 41 8.626 1.085 7.915
323 HE2 LYS 41 HE2 LYS 41 11.001 2.489 6.698
324 HE3 LYS 41 HE3 LYS 41 9.924 3.194 7.899
325 HZ1 LYS 41 HZ1 LYS 41 10.551 1.394 9.415
326 HZ2 LYS 41 HZ2 LYS 41 11.880 2.331 8.959
327 HZ3 LYS 41 HZ3 LYS 41 11.646 0.805 8.272
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 2.412 1.793 9.929
2 H2 LEU 1 H2 LEU 1 3.664 2.909 10.111
3 H3 LEU 1 H3 LEU 1 3.973 1.257 10.264
4 HA LEU 1 HA LEU 1 4.762 1.980 8.147
5 HB2 LEU 1 HB2 LEU 1 3.685 -0.248 8.443
6 HB3 LEU 1 HB3 LEU 1 2.161 0.447 7.934
7 HG LEU 1 HG LEU 1 4.622 0.296 6.202
8 HD11 LEU 1 HD11 LEU 1 3.608 -1.551 5.080
9 HD12 LEU 1 HD12 LEU 1 2.150 -1.413 6.061
10 HD13 LEU 1 HD13 LEU 1 3.666 -1.926 6.802
11 HD21 LEU 1 HD21 LEU 1 2.806 0.646 4.418
12 HD22 LEU 1 HD22 LEU 1 3.348 2.039 5.351
13 HD23 LEU 1 HD23 LEU 1 1.824 1.249 5.750
14 H VAL 2 H VAL 2 4.702 3.924 7.166
15 HA VAL 2 HA VAL 2 2.121 4.817 6.079
16 HB VAL 2 HB VAL 2 4.139 6.638 7.398
17 HG11 VAL 2 HG11 VAL 2 1.544 7.174 5.970
18 HG12 VAL 2 HG12 VAL 2 3.142 7.830 5.614
19 HG13 VAL 2 HG13 VAL 2 2.288 8.332 7.073
20 HG21 VAL 2 HG21 VAL 2 2.982 5.470 9.112
21 HG22 VAL 2 HG22 VAL 2 1.434 5.654 8.285
22 HG23 VAL 2 HG23 VAL 2 2.233 7.061 8.989
23 H LEU 3 H LEU 3 2.179 5.293 4.014
24 HA LEU 3 HA LEU 3 4.758 5.508 2.637
25 HB2 LEU 3 HB2 LEU 3 1.985 4.754 1.766
26 HB3 LEU 3 HB3 LEU 3 3.199 5.216 0.603
27 HG LEU 3 HG LEU 3 4.558 3.320 1.155
28 HD11 LEU 3 HD11 LEU 3 2.524 2.667 3.282
29 HD12 LEU 3 HD12 LEU 3 4.146 3.288 3.577
30 HD13 LEU 3 HD13 LEU 3 3.931 1.699 2.845
31 HD21 LEU 3 HD21 LEU 3 1.646 2.840 0.684
32 HD22 LEU 3 HD22 LEU 3 2.768 1.481 0.795
33 HD23 LEU 3 HD23 LEU 3 2.999 2.713 -0.444
34 H LYS 4 H LYS 4 5.143 7.211 1.198
35 HA LYS 4 HA LYS 4 3.880 9.691 1.826
36 HB2 LYS 4 HB2 LYS 4 6.245 9.573 1.193
37 HB3 LYS 4 HB3 LYS 4 5.768 8.991 -0.384
38 HG2 LYS 4 HG2 LYS 4 6.366 11.359 -0.426
39 HG3 LYS 4 HG3 LYS 4 4.683 11.092 -0.886
40 HD2 LYS 4 HD2 LYS 4 3.967 11.696 1.372
41 HD3 LYS 4 HD3 LYS 4 5.649 11.947 1.839
42 HE2 LYS 4 HE2 LYS 4 5.859 13.759 0.264
43 HE3 LYS 4 HE3 LYS 4 4.230 13.463 -0.344
44 HZ1 LYS 4 HZ1 LYS 4 4.379 15.328 1.241
45 HZ2 LYS 4 HZ2 LYS 4 4.849 14.243 2.449
46 HZ3 LYS 4 HZ3 LYS 4 3.318 14.116 1.747
47 H TYR 5 H TYR 5 3.671 7.292 -0.644
48 HA TYR 5 HA TYR 5 1.095 8.170 -1.521
49 HB2 TYR 5 HB2 TYR 5 1.773 8.518 -3.896
50 HB3 TYR 5 HB3 TYR 5 2.427 9.741 -2.814
51 HD1 TYR 5 HD1 TYR 5 3.304 6.581 -4.569
52 HD2 TYR 5 HD2 TYR 5 4.736 10.135 -2.716
53 HE1 TYR 5 HE1 TYR 5 5.575 6.076 -5.364
54 HE2 TYR 5 HE2 TYR 5 7.008 9.638 -3.506
55 HH TYR 5 HH TYR 5 7.850 7.992 -5.765
56 H CYS 6 H CYS 6 0.099 6.575 -2.869
57 HA CYS 6 HA CYS 6 1.066 3.934 -2.382
58 HB2 CYS 6 HB2 CYS 6 -1.351 4.573 -2.478
59 HB3 CYS 6 HB3 CYS 6 -1.180 4.811 -4.210
60 HA PRO 7 HA PRO 7 3.968 3.903 -5.804
61 HB2 PRO 7 HB2 PRO 7 3.570 0.972 -5.390
62 HB3 PRO 7 HB3 PRO 7 5.070 1.890 -5.558
63 HG2 PRO 7 HG2 PRO 7 4.270 1.049 -3.170
64 HG3 PRO 7 HG3 PRO 7 5.003 2.652 -3.365
65 HD2 PRO 7 HD2 PRO 7 2.144 1.912 -2.952
66 HD3 PRO 7 HD3 PRO 7 3.041 3.330 -2.377
67 H LYS 8 H LYS 8 3.784 3.696 -7.967
68 HA LYS 8 HA LYS 8 1.373 3.558 -9.248
69 HB2 LYS 8 HB2 LYS 8 3.267 4.414 -10.415
70 HB3 LYS 8 HB3 LYS 8 4.139 2.897 -10.252
71 HG2 LYS 8 HG2 LYS 8 3.321 3.222 -12.523
72 HG3 LYS 8 HG3 LYS 8 2.578 1.812 -11.768
73 HD2 LYS 8 HD2 LYS 8 0.618 3.270 -11.199
74 HD3 LYS 8 HD3 LYS 8 1.353 4.533 -12.185
75 HE2 LYS 8 HE2 LYS 8 1.238 3.142 -14.144
76 HE3 LYS 8 HE3 LYS 8 0.669 1.776 -13.186
77 HZ1 LYS 8 HZ1 LYS 8 -1.237 2.653 -14.141
78 HZ2 LYS 8 HZ2 LYS 8 -0.768 4.252 -13.884
79 HZ3 LYS 8 HZ3 LYS 8 -1.258 3.297 -12.583
80 H ILE 9 H ILE 9 3.602 0.912 -8.575
81 HA ILE 9 HA ILE 9 2.293 -1.093 -10.029
82 HB ILE 9 HB ILE 9 4.571 -1.317 -9.094
83 HG12 ILE 9 HG12 ILE 9 3.166 -3.320 -9.725
84 HG13 ILE 9 HG13 ILE 9 4.475 -3.643 -8.598
85 HG21 ILE 9 HG21 ILE 9 3.222 -1.719 -6.430
86 HG22 ILE 9 HG22 ILE 9 4.099 -0.269 -6.914
87 HG23 ILE 9 HG23 ILE 9 4.950 -1.804 -6.769
88 HD11 ILE 9 HD11 ILE 9 1.674 -4.130 -8.316
89 HD12 ILE 9 HD12 ILE 9 2.236 -3.074 -7.020
90 HD13 ILE 9 HD13 ILE 9 3.013 -4.631 -7.286
91 H GLY 10 H GLY 10 1.771 0.223 -6.842
92 HA2 GLY 10 HA2 GLY 10 -0.236 -1.728 -6.104
93 HA3 GLY 10 HA3 GLY 10 0.260 -0.321 -5.182
94 H TYR 11 H TYR 11 -2.209 -0.614 -5.005
95 HA TYR 11 HA TYR 11 -3.380 1.564 -6.485
96 HB2 TYR 11 HB2 TYR 11 -5.314 0.331 -7.296
97 HB3 TYR 11 HB3 TYR 11 -3.853 -0.399 -7.952
98 HD1 TYR 11 HD1 TYR 11 -6.489 -0.790 -5.388
99 HD2 TYR 11 HD2 TYR 11 -3.338 -2.669 -7.534
100 HE1 TYR 11 HE1 TYR 11 -7.218 -2.977 -4.529
101 HE2 TYR 11 HE2 TYR 11 -4.061 -4.858 -6.689
102 HH TYR 11 HH TYR 11 -5.352 -5.709 -4.636
103 H CYS 12 H CYS 12 -4.882 2.601 -5.179
104 HA CYS 12 HA CYS 12 -5.074 1.510 -2.490
105 HB2 CYS 12 HB2 CYS 12 -5.833 4.229 -3.562
106 HB3 CYS 12 HB3 CYS 12 -5.867 3.758 -1.867
107 H SER 13 H SER 13 -6.830 0.855 -1.502
108 HA SER 13 HA SER 13 -9.487 1.343 -2.555
109 HB2 SER 13 HB2 SER 13 -8.587 -1.512 -2.133
110 HB3 SER 13 HB3 SER 13 -10.057 -0.937 -2.920
111 HG SER 13 HG SER 13 -7.398 -0.885 -3.869
112 H ASN 14 H ASN 14 -11.137 0.720 -0.981
113 HA ASN 14 HA ASN 14 -10.506 1.367 1.641
114 HB2 ASN 14 HB2 ASN 14 -12.805 1.423 0.756
115 HB3 ASN 14 HB3 ASN 14 -12.821 -0.336 0.699
116 HD21 ASN 14 HD21 ASN 14 -13.785 -1.274 2.347
117 HD22 ASN 14 HD22 ASN 14 -13.925 -0.634 3.947
118 H THR 15 H THR 15 -10.216 -1.629 -0.018
119 HA THR 15 HA THR 15 -8.933 -2.817 2.290
120 HB THR 15 HB THR 15 -10.273 -4.962 1.939
121 HG1 THR 15 HG1 THR 15 -12.386 -3.353 1.036
122 HG21 THR 15 HG21 THR 15 -11.813 -4.389 3.593
123 HG22 THR 15 HG22 THR 15 -12.013 -2.750 2.974
124 HG23 THR 15 HG23 THR 15 -10.531 -3.200 3.818
125 H CYS 16 H CYS 16 -7.282 -4.125 1.710
126 HA CYS 16 HA CYS 16 -6.924 -4.641 -1.165
127 HB2 CYS 16 HB2 CYS 16 -4.849 -4.308 1.010
128 HB3 CYS 16 HB3 CYS 16 -4.500 -4.650 -0.682
129 H SER 17 H SER 17 -6.164 -6.625 -1.866
130 HA SER 17 HA SER 17 -7.091 -8.908 -0.611
131 HB2 SER 17 HB2 SER 17 -4.753 -8.772 -2.527
132 HB3 SER 17 HB3 SER 17 -5.846 -10.131 -2.276
133 HG SER 17 HG SER 17 -6.225 -8.656 -4.154
134 H LYS 18 H LYS 18 -6.190 -10.419 0.775
135 HA LYS 18 HA LYS 18 -4.346 -9.618 2.659
136 HB2 LYS 18 HB2 LYS 18 -4.125 -12.019 3.259
137 HB3 LYS 18 HB3 LYS 18 -5.793 -11.491 3.093
138 HG2 LYS 18 HG2 LYS 18 -5.978 -12.548 0.952
139 HG3 LYS 18 HG3 LYS 18 -4.259 -12.943 0.951
140 HD2 LYS 18 HD2 LYS 18 -5.625 -14.885 1.534
141 HD3 LYS 18 HD3 LYS 18 -4.581 -14.405 2.872
142 HE2 LYS 18 HE2 LYS 18 -6.405 -13.381 4.021
143 HE3 LYS 18 HE3 LYS 18 -7.464 -13.570 2.627
144 HZ1 LYS 18 HZ1 LYS 18 -7.866 -15.229 4.370
145 HZ2 LYS 18 HZ2 LYS 18 -6.292 -15.813 4.172
146 HZ3 LYS 18 HZ3 LYS 18 -7.403 -15.939 2.907
147 H THR 19 H THR 19 -3.811 -11.291 -0.387
148 HA THR 19 HA THR 19 -1.050 -11.820 0.052
149 HB THR 19 HB THR 19 -2.542 -12.987 -1.635
150 HG1 THR 19 HG1 THR 19 -0.071 -11.893 -2.573
151 HG21 THR 19 HG21 THR 19 -3.342 -10.700 -2.558
152 HG22 THR 19 HG22 THR 19 -3.061 -12.023 -3.689
153 HG23 THR 19 HG23 THR 19 -1.858 -10.747 -3.509
154 H GLN 20 H GLN 20 -2.240 -9.008 0.324
155 HA GLN 20 HA GLN 20 -0.040 -7.624 -1.005
156 HB2 GLN 20 HB2 GLN 20 -2.906 -6.649 -1.003
157 HB3 GLN 20 HB3 GLN 20 -1.523 -5.762 -1.622
158 HG2 GLN 20 HG2 GLN 20 -1.188 -7.606 -3.272
159 HG3 GLN 20 HG3 GLN 20 -2.717 -8.289 -2.722
160 HE21 GLN 20 HE21 GLN 20 -1.392 -6.527 -5.075
161 HE22 GLN 20 HE22 GLN 20 -2.734 -5.546 -5.542
162 H ILE 21 H ILE 21 0.721 -5.856 0.142
163 HA ILE 21 HA ILE 21 0.216 -5.893 2.957
164 HB ILE 21 HB ILE 21 1.846 -3.943 1.317
165 HG12 ILE 21 HG12 ILE 21 2.729 -6.395 2.862
166 HG13 ILE 21 HG13 ILE 21 2.603 -6.296 1.109
167 HG21 ILE 21 HG21 ILE 21 1.210 -3.073 3.526
168 HG22 ILE 21 HG22 ILE 21 2.943 -3.369 3.413
169 HG23 ILE 21 HG23 ILE 21 1.910 -4.502 4.284
170 HD11 ILE 21 HD11 ILE 21 4.787 -5.611 2.775
171 HD12 ILE 21 HD12 ILE 21 4.224 -4.145 1.974
172 HD13 ILE 21 HD13 ILE 21 4.678 -5.553 1.017
173 H TRP 22 H TRP 22 -1.238 -4.721 4.050
174 HA TRP 22 HA TRP 22 -2.899 -2.777 2.704
175 HB2 TRP 22 HB2 TRP 22 -2.798 -3.728 5.577
176 HB3 TRP 22 HB3 TRP 22 -3.955 -2.546 4.978
177 HD1 TRP 22 HD1 TRP 22 -2.904 -6.071 3.683
178 HE1 TRP 22 HE1 TRP 22 -5.061 -7.401 3.234
179 HE3 TRP 22 HE3 TRP 22 -6.321 -2.543 5.058
180 HZ2 TRP 22 HZ2 TRP 22 -7.852 -6.991 3.435
181 HZ3 TRP 22 HZ3 TRP 22 -8.710 -3.075 4.891
182 HH2 TRP 22 HH2 TRP 22 -9.463 -5.261 4.096
183 H ALA 23 H ALA 23 -0.474 -1.867 2.427
184 HA ALA 23 HA ALA 23 0.602 -0.315 4.503
185 HB1 ALA 23 HB1 ALA 23 0.973 -0.384 1.538
186 HB2 ALA 23 HB2 ALA 23 2.097 -0.842 2.817
187 HB3 ALA 23 HB3 ALA 23 1.752 0.859 2.514
188 H THR 24 H THR 24 0.071 1.596 5.288
189 HA THR 24 HA THR 24 -2.171 3.062 4.249
190 HB THR 24 HB THR 24 -0.197 3.882 6.400
191 HG1 THR 24 HG1 THR 24 -1.405 1.837 6.735
192 HG21 THR 24 HG21 THR 24 -2.919 4.882 5.597
193 HG22 THR 24 HG22 THR 24 -1.418 5.795 5.747
194 HG23 THR 24 HG23 THR 24 -2.234 5.195 7.192
195 H SER 25 H SER 25 -2.085 4.903 2.968
196 HA SER 25 HA SER 25 0.590 5.957 2.360
197 HB2 SER 25 HB2 SER 25 -0.359 6.203 -0.050
198 HB3 SER 25 HB3 SER 25 0.238 4.633 0.487
199 HG SER 25 HG SER 25 -2.119 4.392 1.174
200 H HIS 26 H HIS 26 0.755 8.083 2.372
201 HA HIS 26 HA HIS 26 -1.210 9.783 3.330
202 HB2 HIS 26 HB2 HIS 26 1.369 10.254 1.855
203 HB3 HIS 26 HB3 HIS 26 0.338 11.604 2.301
204 HD1 HIS 26 HD1 HIS 26 -0.367 11.355 5.065
205 HD2 HIS 26 HD2 HIS 26 3.272 9.863 3.720
206 HE1 HIS 26 HE1 HIS 26 1.086 11.176 7.106
207 HE2 HIS 26 HE2 HIS 26 3.248 10.177 6.289
208 H GLY 27 H GLY 27 -0.071 9.354 -0.008
209 HA2 GLY 27 HA2 GLY 27 -2.014 11.139 -1.110
210 HA3 GLY 27 HA3 GLY 27 -0.987 10.033 -2.009
211 H CYS 28 H CYS 28 -3.074 8.919 0.557
212 HA CYS 28 HA CYS 28 -5.201 8.166 -1.223
213 HB2 CYS 28 HB2 CYS 28 -3.276 6.146 -0.136
214 HB3 CYS 28 HB3 CYS 28 -4.938 5.699 -0.485
215 H LYS 29 H LYS 29 -6.690 6.537 0.104
216 HA LYS 29 HA LYS 29 -7.288 7.986 2.535
217 HB2 LYS 29 HB2 LYS 29 -8.862 5.861 1.083
218 HB3 LYS 29 HB3 LYS 29 -9.422 6.764 2.482
219 HG2 LYS 29 HG2 LYS 29 -9.278 8.839 1.200
220 HG3 LYS 29 HG3 LYS 29 -8.730 7.925 -0.206
221 HD2 LYS 29 HD2 LYS 29 -10.819 6.714 -0.281
222 HD3 LYS 29 HD3 LYS 29 -11.360 7.497 1.203
223 HE2 LYS 29 HE2 LYS 29 -11.371 9.650 0.097
224 HE3 LYS 29 HE3 LYS 29 -10.734 8.928 -1.377
225 HZ1 LYS 29 HZ1 LYS 29 -13.204 9.344 -1.287
226 HZ2 LYS 29 HZ2 LYS 29 -13.296 8.062 -0.189
227 HZ3 LYS 29 HZ3 LYS 29 -12.724 7.794 -1.756
228 H MET 30 H MET 30 -8.724 5.104 2.854
229 HA MET 30 HA MET 30 -7.543 4.453 5.254
230 HB2 MET 30 HB2 MET 30 -9.074 2.607 3.429
231 HB3 MET 30 HB3 MET 30 -8.841 2.404 5.158
232 HG2 MET 30 HG2 MET 30 -11.037 3.241 4.788
233 HG3 MET 30 HG3 MET 30 -10.074 4.516 5.526
234 HE1 MET 30 HE1 MET 30 -11.499 3.071 2.251
235 HE2 MET 30 HE2 MET 30 -9.917 3.519 1.614
236 HE3 MET 30 HE3 MET 30 -11.357 4.398 1.101
237 H TYR 31 H TYR 31 -6.709 3.138 2.034
238 HA TYR 31 HA TYR 31 -4.207 2.195 3.097
239 HB2 TYR 31 HB2 TYR 31 -5.978 0.025 1.984
240 HB3 TYR 31 HB3 TYR 31 -4.443 -0.142 2.821
241 HD1 TYR 31 HD1 TYR 31 -8.025 0.616 3.250
242 HD2 TYR 31 HD2 TYR 31 -4.363 -0.359 5.181
243 HE1 TYR 31 HE1 TYR 31 -9.252 0.156 5.324
244 HE2 TYR 31 HE2 TYR 31 -5.587 -0.827 7.266
245 HH TYR 31 HH TYR 31 -8.219 -1.586 7.718
246 H CYS 32 H CYS 32 -2.932 1.000 1.553
247 HA CYS 32 HA CYS 32 -3.521 1.592 -1.267
248 HB2 CYS 32 HB2 CYS 32 -1.734 3.061 -0.750
249 HB3 CYS 32 HB3 CYS 32 -0.940 1.883 0.279
250 H CYS 33 H CYS 33 -3.061 -0.165 -2.664
251 HA CYS 33 HA CYS 33 -2.586 -2.680 -1.236
252 HB2 CYS 33 HB2 CYS 33 -3.693 -2.310 -4.025
253 HB3 CYS 33 HB3 CYS 33 -3.690 -3.785 -3.069
254 H LEU 34 H LEU 34 -0.831 -3.826 -1.572
255 HA LEU 34 HA LEU 34 0.742 -3.457 -3.992
256 HB2 LEU 34 HB2 LEU 34 1.827 -3.080 -1.201
257 HB3 LEU 34 HB3 LEU 34 2.812 -3.196 -2.640
258 HG LEU 34 HG LEU 34 0.710 -1.069 -2.418
259 HD11 LEU 34 HD11 LEU 34 2.654 -1.272 -0.515
260 HD12 LEU 34 HD12 LEU 34 1.883 0.226 -1.026
261 HD13 LEU 34 HD13 LEU 34 3.426 -0.252 -1.726
262 HD21 LEU 34 HD21 LEU 34 3.377 -1.042 -3.790
263 HD22 LEU 34 HD22 LEU 34 2.002 0.029 -4.053
264 HD23 LEU 34 HD23 LEU 34 1.915 -1.658 -4.557
265 HA PRO 35 HA PRO 35 0.695 -7.889 -3.584
266 HB2 PRO 35 HB2 PRO 35 3.180 -7.679 -5.194
267 HB3 PRO 35 HB3 PRO 35 1.720 -8.618 -5.502
268 HG2 PRO 35 HG2 PRO 35 2.286 -6.387 -6.876
269 HG3 PRO 35 HG3 PRO 35 0.621 -6.845 -6.472
270 HD2 PRO 35 HD2 PRO 35 2.346 -4.733 -5.291
271 HD3 PRO 35 HD3 PRO 35 0.583 -4.782 -5.483
272 H ALA 36 H ALA 36 1.751 -9.376 -2.298
273 HA ALA 36 HA ALA 36 3.363 -8.560 -0.231
274 HB1 ALA 36 HB1 ALA 36 3.819 -10.860 0.217
275 HB2 ALA 36 HB2 ALA 36 3.510 -11.308 -1.459
276 HB3 ALA 36 HB3 ALA 36 2.183 -10.767 -0.433
277 H SER 37 H SER 37 4.256 -9.477 -3.471
278 HA SER 37 HA SER 37 7.016 -9.817 -3.134
279 HB2 SER 37 HB2 SER 37 7.055 -9.190 -5.633
280 HB3 SER 37 HB3 SER 37 6.103 -10.597 -5.162
281 HG SER 37 HG SER 37 5.151 -7.974 -5.712
282 H TRP 38 H TRP 38 5.051 -6.962 -3.476
283 HA TRP 38 HA TRP 38 6.845 -5.029 -4.235
284 HB2 TRP 38 HB2 TRP 38 4.496 -4.523 -3.904
285 HB3 TRP 38 HB3 TRP 38 4.634 -4.848 -2.180
286 HD1 TRP 38 HD1 TRP 38 6.217 -2.367 -4.723
287 HE1 TRP 38 HE1 TRP 38 6.485 -0.096 -3.538
288 HE3 TRP 38 HE3 TRP 38 4.518 -3.668 -0.086
289 HZ2 TRP 38 HZ2 TRP 38 6.036 0.995 -0.970
290 HZ3 TRP 38 HZ3 TRP 38 4.471 -1.956 1.680
291 HH2 TRP 38 HH2 TRP 38 5.213 0.326 1.244
292 H LYS 39 H LYS 39 8.529 -3.977 -3.302
293 HA LYS 39 HA LYS 39 9.466 -4.978 -0.735
294 HB2 LYS 39 HB2 LYS 39 10.775 -3.121 -2.730
295 HB3 LYS 39 HB3 LYS 39 11.527 -3.696 -1.250
296 HG2 LYS 39 HG2 LYS 39 10.617 -5.438 -3.530
297 HG3 LYS 39 HG3 LYS 39 12.279 -4.931 -3.226
298 HD2 LYS 39 HD2 LYS 39 12.162 -6.054 -1.013
299 HD3 LYS 39 HD3 LYS 39 10.553 -6.642 -1.436
300 HE2 LYS 39 HE2 LYS 39 11.503 -7.820 -3.368
301 HE3 LYS 39 HE3 LYS 39 13.109 -7.246 -2.918
302 HZ1 LYS 39 HZ1 LYS 39 11.434 -9.271 -1.620
303 HZ2 LYS 39 HZ2 LYS 39 12.512 -8.383 -0.672
304 HZ3 LYS 39 HZ3 LYS 39 13.086 -9.304 -1.963
305 H TRP 40 H TRP 40 8.913 -4.016 1.057
306 HA TRP 40 HA TRP 40 7.749 -1.407 1.061
307 HB2 TRP 40 HB2 TRP 40 6.902 -3.193 2.508
308 HB3 TRP 40 HB3 TRP 40 8.448 -3.266 3.336
309 HD1 TRP 40 HD1 TRP 40 6.979 -2.808 5.588
310 HE1 TRP 40 HE1 TRP 40 6.240 -0.592 6.660
311 HE3 TRP 40 HE3 TRP 40 7.592 0.308 1.561
312 HZ2 TRP 40 HZ2 TRP 40 5.950 2.099 5.909
313 HZ3 TRP 40 HZ3 TRP 40 7.061 2.689 1.838
314 HH2 TRP 40 HH2 TRP 40 6.258 3.565 3.967
315 H LYS 41 H LYS 41 9.294 -1.369 3.920
316 HA LYS 41 HA LYS 41 11.095 0.688 3.125
317 HB2 LYS 41 HB2 LYS 41 11.078 -0.744 5.780
318 HB3 LYS 41 HB3 LYS 41 11.616 0.898 5.443
319 HG2 LYS 41 HG2 LYS 41 9.283 1.494 4.874
320 HG3 LYS 41 HG3 LYS 41 8.800 -0.130 5.350
321 HD2 LYS 41 HD2 LYS 41 10.114 1.900 7.139
322 HD3 LYS 41 HD3 LYS 41 8.400 1.489 7.128
323 HE2 LYS 41 HE2 LYS 41 9.034 -0.858 7.678
324 HE3 LYS 41 HE3 LYS 41 10.700 -0.313 7.853
325 HZ1 LYS 41 HZ1 LYS 41 10.139 0.021 9.967
326 HZ2 LYS 41 HZ2 LYS 41 8.478 -0.014 9.652
327 HZ3 LYS 41 HZ3 LYS 41 9.351 1.411 9.419
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