Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
514330 | 2l86 RC | 17394 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 3.346 -8.802 4.745
2 H2 LYS 1 HT2 LYS 1 2.380 -9.994 3.909
3 H3 LYS 1 HT3 LYS 1 1.634 -8.538 4.523
4 HA LYS 1 HA LYS 1 2.907 -7.223 3.017
5 HB2 LYS 1 HB1 LYS 1 3.989 -9.898 2.104
6 HB3 LYS 1 HB2 LYS 1 4.189 -8.376 1.202
7 HG2 LYS 1 HG1 LYS 1 5.844 -7.663 2.536
8 HG3 LYS 1 HG2 LYS 1 5.026 -8.224 4.014
9 HD2 LYS 1 HD1 LYS 1 5.836 -10.438 3.739
10 HD3 LYS 1 HD2 LYS 1 6.368 -10.114 2.071
11 HE2 LYS 1 HE1 LYS 1 8.050 -8.525 2.930
12 HE3 LYS 1 HE2 LYS 1 7.529 -8.884 4.593
13 HZ1 LYS 1 HZ1 LYS 1 8.729 -10.742 4.615
14 HZ2 LYS 1 HZ2 LYS 1 9.483 -10.183 3.208
15 HZ3 LYS 1 HZ3 LYS 1 8.174 -11.248 3.099
16 H CYS 2 HN CYS 2 1.983 -10.428 1.745
17 HA CYS 2 HA CYS 2 0.367 -11.074 0.281
18 HB2 CYS 2 HB1 CYS 2 -0.856 -9.319 2.138
19 HB3 CYS 2 HB2 CYS 2 -1.509 -8.916 0.532
20 H ASN 3 HN ASN 3 1.412 -10.801 -1.652
21 HA ASN 3 HA ASN 3 1.616 -8.233 -2.923
22 HB2 ASN 3 HB1 ASN 3 2.158 -11.028 -3.964
23 HB3 ASN 3 HB2 ASN 3 2.538 -9.525 -4.839
24 HD21 ASN 3 1HD2 ASN 3 3.598 -7.921 -2.993
25 HD22 ASN 3 2HD2 ASN 3 5.031 -8.604 -2.311
26 H THR 4 HN THR 4 0.189 -11.237 -4.196
27 HA THR 4 HA THR 4 -2.027 -9.617 -5.275
28 HB THR 4 HB THR 4 -2.129 -11.439 -7.088
29 HG1 THR 4 HG1 THR 4 -0.207 -12.554 -7.435
30 HG21 THR 4 3HG2 THR 4 -1.432 -9.134 -7.537
31 HG22 THR 4 1HG2 THR 4 -0.456 -10.288 -8.476
32 HG23 THR 4 2HG2 THR 4 0.223 -9.529 -7.016
33 H ALA 5 HN ALA 5 -3.568 -10.056 -3.761
34 HA ALA 5 HA ALA 5 -4.884 -12.575 -3.905
35 HB1 ALA 5 HB1 ALA 5 -4.648 -13.239 -1.546
36 HB2 ALA 5 HB2 ALA 5 -3.474 -11.922 -1.309
37 HB3 ALA 5 HB3 ALA 5 -3.092 -13.267 -2.410
38 H THR 6 HN THR 6 -6.438 -12.582 -1.702
39 HA THR 6 HA THR 6 -8.360 -10.647 -2.205
40 HB THR 6 HB THR 6 -8.960 -12.667 -1.038
41 HG1 THR 6 HG1 THR 6 -9.323 -10.678 0.933
42 HG21 THR 6 3HG2 THR 6 -6.875 -13.028 0.197
43 HG22 THR 6 1HG2 THR 6 -8.278 -13.086 1.289
44 HG23 THR 6 2HG2 THR 6 -7.248 -11.636 1.241
45 H CYS 7 HN CYS 7 -5.568 -10.533 -0.126
46 HA CYS 7 HA CYS 7 -6.201 -8.511 1.634
47 HB2 CYS 7 HB1 CYS 7 -3.551 -8.885 0.219
48 HB3 CYS 7 HB2 CYS 7 -3.815 -8.012 1.748
49 H ALA 8 HN ALA 8 -5.476 -8.301 -1.773
50 HA ALA 8 HA ALA 8 -4.791 -5.691 -2.161
51 HB1 ALA 8 HB1 ALA 8 -5.918 -5.815 -4.345
52 HB2 ALA 8 HB2 ALA 8 -6.752 -7.294 -3.815
53 HB3 ALA 8 HB3 ALA 8 -4.981 -7.286 -3.990
54 H THR 9 HN THR 9 -8.026 -6.959 -1.514
55 HA THR 9 HA THR 9 -9.488 -4.614 -1.931
56 HB THR 9 HB THR 9 -10.385 -6.339 0.300
57 HG1 THR 9 HG1 THR 9 -10.631 -8.136 -0.931
58 HG21 THR 9 3HG2 THR 9 -11.845 -4.645 -0.699
59 HG22 THR 9 1HG2 THR 9 -12.492 -6.280 -0.968
60 HG23 THR 9 2HG2 THR 9 -11.665 -5.422 -2.290
61 H GLN 10 HN GLN 10 -7.933 -5.851 1.010
62 HA GLN 10 HA GLN 10 -8.802 -3.784 2.719
63 HB2 GLN 10 HB1 GLN 10 -7.175 -6.110 2.903
64 HB3 GLN 10 HB2 GLN 10 -6.239 -4.743 3.554
65 HG2 GLN 10 HG1 GLN 10 -7.443 -5.809 5.345
66 HG3 GLN 10 HG2 GLN 10 -8.140 -4.199 5.045
67 HE21 GLN 10 1HE2 GLN 10 -10.249 -4.209 5.226
68 HE22 GLN 10 2HE2 GLN 10 -11.320 -5.479 4.751
69 H ARG 11 HN ARG 11 -5.695 -4.250 1.037
70 HA ARG 11 HA ARG 11 -4.450 -1.910 1.861
71 HB2 ARG 11 HB1 ARG 11 -4.032 -3.938 -0.152
72 HB3 ARG 11 HB2 ARG 11 -3.639 -2.329 -0.804
73 HG2 ARG 11 HG1 ARG 11 -1.999 -1.947 0.861
74 HG3 ARG 11 HG2 ARG 11 -2.554 -3.332 1.832
75 HD2 ARG 11 HD1 ARG 11 -1.070 -4.625 0.788
76 HD3 ARG 11 HD2 ARG 11 -1.928 -4.334 -0.745
77 HE ARG 11 HE ARG 11 -0.298 -2.140 -0.356
78 HH11 ARG 11 1HH1 ARG 11 0.120 -5.581 -0.688
79 HH12 ARG 11 2HH1 ARG 11 1.689 -5.452 -1.409
80 HH21 ARG 11 1HH2 ARG 11 1.768 -1.958 -1.306
81 HH22 ARG 11 2HH2 ARG 11 2.626 -3.391 -1.760
82 H LEU 12 HN LEU 12 -6.025 -2.408 -1.304
83 HA LEU 12 HA LEU 12 -5.968 0.164 -2.236
84 HB2 LEU 12 HB1 LEU 12 -7.144 -2.198 -3.023
85 HB3 LEU 12 HB2 LEU 12 -8.544 -1.136 -2.738
86 HG LEU 12 HG LEU 12 -7.661 0.475 -4.343
87 HD11 LEU 12 1HD1 LEU 12 -5.702 -0.053 -5.717
88 HD12 LEU 12 2HD1 LEU 12 -5.414 -1.511 -4.737
89 HD13 LEU 12 3HD1 LEU 12 -5.276 0.101 -3.996
90 HD21 LEU 12 3HD2 LEU 12 -7.737 -2.349 -5.427
91 HD22 LEU 12 1HD2 LEU 12 -7.936 -0.859 -6.381
92 HD23 LEU 12 2HD2 LEU 12 -9.141 -1.293 -5.146
93 H ALA 13 HN ALA 13 -8.693 -1.277 -0.436
94 HA ALA 13 HA ALA 13 -10.293 0.940 -0.187
95 HB1 ALA 13 HB1 ALA 13 -11.211 -0.094 1.849
96 HB2 ALA 13 HB2 ALA 13 -9.833 -1.220 1.880
97 HB3 ALA 13 HB3 ALA 13 -10.997 -1.275 0.534
98 H ASN 14 HN ASN 14 -7.437 0.094 1.689
99 HA ASN 14 HA ASN 14 -7.738 2.118 3.656
100 HB2 ASN 14 HB1 ASN 14 -6.181 -0.045 3.514
101 HB3 ASN 14 HB2 ASN 14 -5.016 1.154 2.902
102 HD21 ASN 14 1HD2 ASN 14 -3.661 1.366 4.571
103 HD22 ASN 14 2HD2 ASN 14 -4.114 1.848 6.167
104 H PHE 15 HN PHE 15 -6.112 1.976 0.535
105 HA PHE 15 HA PHE 15 -4.865 4.539 0.803
106 HB2 PHE 15 HB1 PHE 15 -3.705 3.191 -0.671
107 HB3 PHE 15 HB2 PHE 15 -5.193 2.533 -1.393
108 HD1 PHE 15 HD1 PHE 15 -3.258 5.718 -1.117
109 HD2 PHE 15 HD2 PHE 15 -5.890 3.324 -3.453
110 HE1 PHE 15 HE1 PHE 15 -3.059 7.317 -2.975
111 HE2 PHE 15 HE2 PHE 15 -5.695 4.920 -5.315
112 HZ PHE 15 HZ PHE 15 -4.277 6.919 -5.079
113 H LEU 16 HN LEU 16 -7.963 3.411 -0.183
114 HA LEU 16 HA LEU 16 -8.655 5.748 -1.716
115 HB2 LEU 16 HB1 LEU 16 -9.993 3.236 -0.872
116 HB3 LEU 16 HB2 LEU 16 -11.042 4.635 -1.208
117 HG LEU 16 HG LEU 16 -9.859 4.761 -3.470
118 HD11 LEU 16 1HD1 LEU 16 -8.871 2.672 -4.284
119 HD12 LEU 16 2HD1 LEU 16 -9.032 1.967 -2.658
120 HD13 LEU 16 3HD1 LEU 16 -7.944 3.349 -2.925
121 HD21 LEU 16 3HD2 LEU 16 -11.561 2.345 -2.818
122 HD22 LEU 16 1HD2 LEU 16 -11.308 3.036 -4.438
123 HD23 LEU 16 2HD2 LEU 16 -12.157 3.980 -3.191
124 H VAL 17 HN VAL 17 -9.314 4.517 1.535
125 HA VAL 17 HA VAL 17 -10.981 6.753 2.242
126 HB VAL 17 HB VAL 17 -11.414 4.648 3.325
127 HG11 VAL 17 1HG1 VAL 17 -9.795 3.594 4.845
128 HG12 VAL 17 2HG1 VAL 17 -8.590 4.823 4.396
129 HG13 VAL 17 3HG1 VAL 17 -9.183 3.672 3.176
130 HG21 VAL 17 3HG2 VAL 17 -10.205 6.624 5.272
131 HG22 VAL 17 1HG2 VAL 17 -11.346 5.323 5.689
132 HG23 VAL 17 2HG2 VAL 17 -11.865 6.658 4.632
133 H HIS 18 HN HIS 18 -7.607 5.909 2.522
134 HA HIS 18 HA HIS 18 -7.108 8.310 4.138
135 HB2 HIS 18 HB1 HIS 18 -5.331 5.938 3.513
136 HB3 HIS 18 HB2 HIS 18 -4.839 7.349 4.482
137 HD1 HIS 18 HD1 HIS 18 -5.976 7.602 6.840
138 HD2 HIS 18 HD2 HIS 18 -6.865 4.059 4.860
139 HE1 HIS 18 HE1 HIS 18 -6.977 6.091 8.583
140 H SER 19 HN SER 19 -7.677 9.395 1.979
141 HA SER 19 HA SER 19 -6.079 9.323 -0.270
142 HB2 SER 19 HB1 SER 19 -7.577 11.609 1.025
143 HB3 SER 19 HB2 SER 19 -6.731 11.787 -0.531
144 HG SER 19 HG SER 19 -8.071 10.209 -1.402
145 H SER 20 HN SER 20 -5.428 10.738 2.842
146 HA SER 20 HA SER 20 -3.397 12.527 2.215
147 HB2 SER 20 HB1 SER 20 -3.893 12.732 4.430
148 HB3 SER 20 HB2 SER 20 -4.209 10.991 4.621
149 HG SER 20 HG SER 20 -2.244 11.915 5.665
150 H ASN 21 HN ASN 21 -3.326 9.035 2.499
151 HA ASN 21 HA ASN 21 -0.628 8.529 2.702
152 HB2 ASN 21 HB1 ASN 21 -2.892 7.085 1.365
153 HB3 ASN 21 HB2 ASN 21 -1.228 6.484 1.162
154 HD21 ASN 21 1HD2 ASN 21 -0.097 6.861 3.553
155 HD22 ASN 21 2HD2 ASN 21 -0.913 5.959 4.780
156 H ASN 22 HN ASN 22 -2.441 9.661 -0.054
157 HA ASN 22 HA ASN 22 -0.645 9.088 -2.109
158 HB2 ASN 22 HB1 ASN 22 -2.771 9.840 -2.773
159 HB3 ASN 22 HB2 ASN 22 -2.688 11.269 -1.715
160 HD21 ASN 22 1HD2 ASN 22 -1.396 13.028 -2.348
161 HD22 ASN 22 2HD2 ASN 22 -0.929 13.262 -3.995
162 H PHE 23 HN PHE 23 -0.783 11.833 0.114
163 HA PHE 23 HA PHE 23 1.554 13.055 -1.095
164 HB2 PHE 23 HB1 PHE 23 -0.635 14.034 0.301
165 HB3 PHE 23 HB2 PHE 23 0.704 14.163 1.468
166 HD1 PHE 23 HD2 PHE 23 2.981 14.792 -0.236
167 HD2 PHE 23 HD1 PHE 23 -1.035 16.186 -0.457
168 HE1 PHE 23 HE2 PHE 23 3.758 16.843 -1.353
169 HE2 PHE 23 HE1 PHE 23 -0.264 18.239 -1.574
170 HZ PHE 23 HZ PHE 23 2.135 18.569 -2.022
171 H GLY 24 HN GLY 24 0.664 11.660 2.058
172 HA2 GLY 24 HA1 GLY 24 3.140 11.937 3.314
173 HA3 GLY 24 HA2 GLY 24 1.947 10.707 3.704
174 H ALA 25 HN ALA 25 2.131 9.698 0.868
175 HA ALA 25 HA ALA 25 3.871 7.576 1.284
176 HB1 ALA 25 HB1 ALA 25 3.664 7.129 -1.127
177 HB2 ALA 25 HB2 ALA 25 2.938 8.739 -1.349
178 HB3 ALA 25 HB3 ALA 25 2.095 7.508 -0.379
179 H ILE 26 HN ILE 26 4.510 10.779 0.092
180 HA ILE 26 HA ILE 26 7.111 10.123 -0.971
181 HB ILE 26 HB ILE 26 5.858 12.817 -0.422
182 HG12 ILE 26 1HG1 ILE 26 6.023 12.558 -3.132
183 HG13 ILE 26 2HG1 ILE 26 5.691 10.878 -2.643
184 HG21 ILE 26 1HG2 ILE 26 7.605 13.708 -1.906
185 HG22 ILE 26 2HG2 ILE 26 8.331 12.086 -2.003
186 HG23 ILE 26 3HG2 ILE 26 8.290 12.951 -0.448
187 HD11 ILE 26 3HD1 ILE 26 3.688 11.625 -1.441
188 HD12 ILE 26 1HD1 ILE 26 3.625 12.079 -3.160
189 HD13 ILE 26 2HD1 ILE 26 4.019 13.303 -1.930
190 H LEU 27 HN LEU 27 5.787 11.150 2.058
191 HA LEU 27 HA LEU 27 8.291 12.086 3.134
192 HB2 LEU 27 HB1 LEU 27 5.539 12.210 3.853
193 HB3 LEU 27 HB2 LEU 27 6.431 11.461 5.199
194 HG LEU 27 HG LEU 27 7.347 14.053 3.985
195 HD11 LEU 27 1HD1 LEU 27 6.064 15.245 5.699
196 HD12 LEU 27 2HD1 LEU 27 5.303 13.713 6.189
197 HD13 LEU 27 3HD1 LEU 27 4.999 14.379 4.567
198 HD21 LEU 27 3HD2 LEU 27 7.640 12.805 6.726
199 HD22 LEU 27 1HD2 LEU 27 8.312 14.372 6.216
200 HD23 LEU 27 2HD2 LEU 27 8.890 12.869 5.461
201 H SER 28 HN SER 28 6.301 9.179 3.376
202 HA SER 28 HA SER 28 8.177 7.921 5.201
203 HB2 SER 28 HB1 SER 28 5.421 7.536 4.464
204 HB3 SER 28 HB2 SER 28 6.312 6.013 4.227
205 HG SER 28 HG SER 28 6.531 7.556 6.602
206 H SER 29 HN SER 29 7.152 7.639 1.834
207 HA SER 29 HA SER 29 8.048 6.563 0.040
208 HB2 SER 29 HB1 SER 29 10.101 7.891 1.218
209 HB3 SER 29 HB2 SER 29 10.718 6.222 1.289
210 HG SER 29 HG SER 29 10.174 7.842 -0.933
211 H THR 30 HN THR 30 6.886 4.986 2.187
212 HA THR 30 HA THR 30 8.498 2.568 2.298
213 HB THR 30 HB THR 30 7.302 3.243 4.322
214 HG1 THR 30 HG1 THR 30 7.042 1.186 4.734
215 HG21 THR 30 3HG2 THR 30 5.385 4.357 3.280
216 HG22 THR 30 1HG2 THR 30 4.848 3.112 4.433
217 HG23 THR 30 2HG2 THR 30 4.793 2.788 2.684
218 H ASN 31 HN ASN 31 5.773 3.855 0.575
219 HA ASN 31 HA ASN 31 5.183 1.223 -0.582
220 HB2 ASN 31 HB1 ASN 31 3.653 3.836 -0.742
221 HB3 ASN 31 HB2 ASN 31 3.149 2.303 -1.493
222 HD21 ASN 31 1HD2 ASN 31 2.242 4.171 0.837
223 HD22 ASN 31 2HD2 ASN 31 1.833 3.046 2.082
224 H VAL 32 HN VAL 32 6.495 4.350 -1.318
225 HA VAL 32 HA VAL 32 6.667 3.650 -4.168
226 HB VAL 32 HB VAL 32 5.642 5.811 -3.776
227 HG11 VAL 32 1HG1 VAL 32 6.879 7.648 -2.707
228 HG12 VAL 32 2HG1 VAL 32 8.199 6.519 -2.321
229 HG13 VAL 32 3HG1 VAL 32 6.594 6.297 -1.584
230 HG21 VAL 32 3HG2 VAL 32 8.462 6.079 -4.840
231 HG22 VAL 32 1HG2 VAL 32 7.131 7.225 -5.128
232 HG23 VAL 32 2HG2 VAL 32 7.031 5.566 -5.766
233 H GLY 33 HN GLY 33 8.559 4.522 -1.339
234 HA2 GLY 33 HA1 GLY 33 11.054 4.555 -2.807
235 HA3 GLY 33 HA2 GLY 33 10.860 4.742 -1.071
236 H SER 34 HN SER 34 9.709 2.513 -0.210
237 HA SER 34 HA SER 34 11.746 0.646 -0.089
238 HB2 SER 34 HB1 SER 34 9.359 0.964 1.185
239 HB3 SER 34 HB2 SER 34 9.015 -0.466 0.181
240 HG SER 34 HG SER 34 11.040 -0.130 2.142
241 H ASN 35 HN ASN 35 9.217 1.012 -2.450
242 HA ASN 35 HA ASN 35 9.110 -1.493 -3.603
243 HB2 ASN 35 HB1 ASN 35 7.828 0.710 -4.165
244 HB3 ASN 35 HB2 ASN 35 9.151 0.970 -5.327
245 HD21 ASN 35 1HD2 ASN 35 8.884 0.144 -7.272
246 HD22 ASN 35 2HD2 ASN 35 7.791 -1.120 -7.705
247 H THR 36 HN THR 36 11.748 0.645 -3.461
248 HA THR 36 HA THR 36 13.255 -1.083 -5.295
249 HB THR 36 HB THR 36 14.480 1.364 -5.633
250 HG1 THR 36 HG1 THR 36 12.501 2.274 -4.655
251 HG21 THR 36 3HG2 THR 36 14.100 -0.323 -7.370
252 HG22 THR 36 1HG2 THR 36 13.559 1.284 -7.912
253 HG23 THR 36 2HG2 THR 36 12.365 0.077 -7.380
254 H TYR 37 HN TYR 37 13.484 1.498 -2.857
255 HA TYR 37 HA TYR 37 16.056 0.376 -1.987
256 HB2 TYR 37 HB1 TYR 37 14.812 3.092 -1.837
257 HB3 TYR 37 HB2 TYR 37 15.988 2.619 -0.587
258 HD1 TYR 37 HD2 TYR 37 15.775 2.179 -4.311
259 HD2 TYR 37 HD1 TYR 37 18.078 3.513 -0.992
260 HE1 TYR 37 HE2 TYR 37 17.619 2.760 -5.831
261 HE2 TYR 37 HE1 TYR 37 19.928 4.098 -2.503
262 HH TYR 37 HH TYR 37 19.975 4.746 -5.188
263 HN1 NH2 38 HN1 NH2 37 13.878 2.538 0.239
264 HN2 NH2 38 HN2 NH2 37 13.545 1.181 1.456
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 4.816 -10.509 2.920
2 H2 LYS 1 HT2 LYS 1 3.500 -9.529 2.323
3 H3 LYS 1 HT3 LYS 1 4.225 -10.739 1.293
4 HA LYS 1 HA LYS 1 3.460 -12.459 2.734
5 HB2 LYS 1 HB1 LYS 1 3.052 -10.234 4.519
6 HB3 LYS 1 HB2 LYS 1 1.529 -11.131 4.309
7 HG2 LYS 1 HG1 LYS 1 3.763 -12.936 4.699
8 HG3 LYS 1 HG2 LYS 1 3.646 -11.755 6.025
9 HD2 LYS 1 HD1 LYS 1 1.155 -12.333 6.101
10 HD3 LYS 1 HD2 LYS 1 1.562 -13.722 5.065
11 HE2 LYS 1 HE1 LYS 1 3.275 -14.382 6.797
12 HE3 LYS 1 HE2 LYS 1 2.592 -13.119 7.850
13 HZ1 LYS 1 HZ1 LYS 1 0.540 -14.787 6.803
14 HZ2 LYS 1 HZ2 LYS 1 0.940 -14.466 8.415
15 HZ3 LYS 1 HZ3 LYS 1 1.713 -15.722 7.586
16 H CYS 2 HN CYS 2 1.258 -9.658 2.525
17 HA CYS 2 HA CYS 2 -0.491 -11.275 0.801
18 HB2 CYS 2 HB1 CYS 2 -0.971 -9.464 3.006
19 HB3 CYS 2 HB2 CYS 2 -1.860 -8.945 1.553
20 H ASN 3 HN ASN 3 0.344 -10.899 -1.214
21 HA ASN 3 HA ASN 3 0.543 -8.099 -2.089
22 HB2 ASN 3 HB1 ASN 3 2.221 -10.374 -2.495
23 HB3 ASN 3 HB2 ASN 3 1.557 -9.882 -4.072
24 HD21 ASN 3 1HD2 ASN 3 2.969 -8.665 -5.090
25 HD22 ASN 3 2HD2 ASN 3 3.926 -7.404 -4.399
26 H THR 4 HN THR 4 -0.193 -11.210 -3.668
27 HA THR 4 HA THR 4 -2.388 -9.859 -5.093
28 HB THR 4 HB THR 4 -1.083 -12.439 -5.948
29 HG1 THR 4 HG1 THR 4 -0.460 -9.952 -7.122
30 HG21 THR 4 3HG2 THR 4 -3.281 -11.957 -6.920
31 HG22 THR 4 1HG2 THR 4 -1.999 -11.832 -8.148
32 HG23 THR 4 2HG2 THR 4 -2.702 -10.357 -7.442
33 H ALA 5 HN ALA 5 -3.874 -10.205 -3.367
34 HA ALA 5 HA ALA 5 -5.293 -12.678 -3.584
35 HB1 ALA 5 HB1 ALA 5 -5.136 -13.347 -1.221
36 HB2 ALA 5 HB2 ALA 5 -3.929 -12.067 -0.953
37 HB3 ALA 5 HB3 ALA 5 -3.561 -13.424 -2.045
38 H THR 6 HN THR 6 -6.886 -12.626 -1.400
39 HA THR 6 HA THR 6 -8.750 -10.653 -1.955
40 HB THR 6 HB THR 6 -9.294 -12.712 -0.721
41 HG1 THR 6 HG1 THR 6 -9.911 -10.324 0.713
42 HG21 THR 6 3HG2 THR 6 -7.326 -12.814 0.733
43 HG22 THR 6 1HG2 THR 6 -8.826 -12.865 1.689
44 HG23 THR 6 2HG2 THR 6 -7.883 -11.359 1.593
45 H CYS 7 HN CYS 7 -5.974 -10.559 0.139
46 HA CYS 7 HA CYS 7 -6.575 -8.499 1.866
47 HB2 CYS 7 HB1 CYS 7 -4.014 -9.328 0.523
48 HB3 CYS 7 HB2 CYS 7 -4.060 -7.926 1.620
49 H ALA 8 HN ALA 8 -5.835 -8.354 -1.542
50 HA ALA 8 HA ALA 8 -5.101 -5.763 -1.965
51 HB1 ALA 8 HB1 ALA 8 -6.223 -5.899 -4.151
52 HB2 ALA 8 HB2 ALA 8 -7.085 -7.357 -3.602
53 HB3 ALA 8 HB3 ALA 8 -5.313 -7.381 -3.770
54 H THR 9 HN THR 9 -8.361 -6.963 -1.312
55 HA THR 9 HA THR 9 -9.779 -4.598 -1.770
56 HB THR 9 HB THR 9 -10.714 -6.272 0.484
57 HG1 THR 9 HG1 THR 9 -10.595 -7.323 -2.163
58 HG21 THR 9 3HG2 THR 9 -12.140 -4.566 -0.545
59 HG22 THR 9 1HG2 THR 9 -12.816 -6.194 -0.791
60 HG23 THR 9 2HG2 THR 9 -11.969 -5.371 -2.123
61 H GLN 10 HN GLN 10 -8.257 -5.817 1.196
62 HA GLN 10 HA GLN 10 -9.095 -3.710 2.870
63 HB2 GLN 10 HB1 GLN 10 -7.512 -6.062 3.096
64 HB3 GLN 10 HB2 GLN 10 -6.551 -4.703 3.729
65 HG2 GLN 10 HG1 GLN 10 -7.868 -4.440 5.535
66 HG3 GLN 10 HG2 GLN 10 -9.361 -4.785 4.629
67 HE21 GLN 10 1HE2 GLN 10 -6.452 -6.389 5.886
68 HE22 GLN 10 2HE2 GLN 10 -7.240 -7.864 6.314
69 H ARG 11 HN ARG 11 -5.991 -4.258 1.206
70 HA ARG 11 HA ARG 11 -4.704 -1.929 1.999
71 HB2 ARG 11 HB1 ARG 11 -4.334 -3.983 -0.009
72 HB3 ARG 11 HB2 ARG 11 -3.871 -2.384 -0.639
73 HG2 ARG 11 HG1 ARG 11 -2.196 -2.100 0.965
74 HG3 ARG 11 HG2 ARG 11 -2.876 -3.351 2.034
75 HD2 ARG 11 HD1 ARG 11 -1.458 -4.813 1.133
76 HD3 ARG 11 HD2 ARG 11 -2.332 -4.641 -0.408
77 HE ARG 11 HE ARG 11 -0.438 -2.549 -0.074
78 HH11 ARG 11 1HH1 ARG 11 -0.705 -5.934 -0.849
79 HH12 ARG 11 2HH1 ARG 11 0.741 -5.964 -1.803
80 HH21 ARG 11 1HH2 ARG 11 1.468 -2.576 -1.328
81 HH22 ARG 11 2HH2 ARG 11 1.976 -4.054 -2.074
82 H LEU 12 HN LEU 12 -6.279 -2.445 -1.163
83 HA LEU 12 HA LEU 12 -6.171 0.111 -2.133
84 HB2 LEU 12 HB1 LEU 12 -7.387 -2.240 -2.892
85 HB3 LEU 12 HB2 LEU 12 -8.768 -1.149 -2.628
86 HG LEU 12 HG LEU 12 -7.850 0.421 -4.252
87 HD11 LEU 12 1HD1 LEU 12 -5.895 -0.165 -5.609
88 HD12 LEU 12 2HD1 LEU 12 -5.638 -1.612 -4.606
89 HD13 LEU 12 3HD1 LEU 12 -5.473 0.008 -3.888
90 HD21 LEU 12 3HD2 LEU 12 -7.974 -2.418 -5.293
91 HD22 LEU 12 1HD2 LEU 12 -8.144 -0.940 -6.271
92 HD23 LEU 12 2HD2 LEU 12 -9.360 -1.332 -5.033
93 H ALA 13 HN ALA 13 -8.928 -1.254 -0.322
94 HA ALA 13 HA ALA 13 -10.488 0.996 -0.112
95 HB1 ALA 13 HB1 ALA 13 -11.430 0.010 1.937
96 HB2 ALA 13 HB2 ALA 13 -10.073 -1.140 1.990
97 HB3 ALA 13 HB3 ALA 13 -11.233 -1.194 0.642
98 H ASN 14 HN ASN 14 -7.653 0.129 1.789
99 HA ASN 14 HA ASN 14 -7.923 2.187 3.722
100 HB2 ASN 14 HB1 ASN 14 -6.246 -0.006 3.336
101 HB3 ASN 14 HB2 ASN 14 -5.166 1.403 3.204
102 HD21 ASN 14 1HD2 ASN 14 -4.365 2.136 5.032
103 HD22 ASN 14 2HD2 ASN 14 -5.023 1.898 6.611
104 H PHE 15 HN PHE 15 -6.290 1.966 0.609
105 HA PHE 15 HA PHE 15 -4.996 4.510 0.840
106 HB2 PHE 15 HB1 PHE 15 -3.858 3.119 -0.611
107 HB3 PHE 15 HB2 PHE 15 -5.356 2.478 -1.329
108 HD1 PHE 15 HD2 PHE 15 -3.356 5.624 -1.092
109 HD2 PHE 15 HD1 PHE 15 -6.035 3.252 -3.399
110 HE1 PHE 15 HE2 PHE 15 -3.119 7.191 -2.974
111 HE2 PHE 15 HE1 PHE 15 -5.802 4.816 -5.284
112 HZ PHE 15 HZ PHE 15 -4.343 6.789 -5.073
113 H LEU 16 HN LEU 16 -8.113 3.425 -0.137
114 HA LEU 16 HA LEU 16 -8.756 5.750 -1.707
115 HB2 LEU 16 HB1 LEU 16 -10.152 3.282 -0.825
116 HB3 LEU 16 HB2 LEU 16 -11.166 4.696 -1.199
117 HG LEU 16 HG LEU 16 -10.002 4.754 -3.454
118 HD11 LEU 16 1HD1 LEU 16 -8.985 2.664 -4.225
119 HD12 LEU 16 2HD1 LEU 16 -9.132 1.991 -2.584
120 HD13 LEU 16 3HD1 LEU 16 -8.065 3.384 -2.883
121 HD21 LEU 16 3HD2 LEU 16 -11.667 2.329 -2.749
122 HD22 LEU 16 1HD2 LEU 16 -11.424 2.987 -4.384
123 HD23 LEU 16 2HD2 LEU 16 -12.288 3.946 -3.158
124 H VAL 17 HN VAL 17 -9.447 4.582 1.558
125 HA VAL 17 HA VAL 17 -11.074 6.859 2.228
126 HB VAL 17 HB VAL 17 -11.550 4.779 3.340
127 HG11 VAL 17 1HG1 VAL 17 -9.956 3.719 4.882
128 HG12 VAL 17 2HG1 VAL 17 -8.726 4.919 4.419
129 HG13 VAL 17 3HG1 VAL 17 -9.337 3.760 3.214
130 HG21 VAL 17 3HG2 VAL 17 -10.309 6.760 5.262
131 HG22 VAL 17 1HG2 VAL 17 -11.477 5.489 5.693
132 HG23 VAL 17 2HG2 VAL 17 -11.966 6.818 4.616
133 H HIS 18 HN HIS 18 -7.718 5.958 2.526
134 HA HIS 18 HA HIS 18 -7.176 8.373 4.108
135 HB2 HIS 18 HB1 HIS 18 -5.443 5.961 3.528
136 HB3 HIS 18 HB2 HIS 18 -4.930 7.377 4.477
137 HD1 HIS 18 HD1 HIS 18 -6.069 7.687 6.824
138 HD2 HIS 18 HD2 HIS 18 -7.016 4.129 4.899
139 HE1 HIS 18 HE1 HIS 18 -7.104 6.223 8.588
140 H SER 19 HN SER 19 -7.719 9.435 1.930
141 HA SER 19 HA SER 19 -6.116 9.296 -0.310
142 HB2 SER 19 HB1 SER 19 -7.871 11.352 0.907
143 HB3 SER 19 HB2 SER 19 -6.668 11.959 -0.257
144 HG SER 19 HG SER 19 -8.625 11.351 -1.289
145 H SER 20 HN SER 20 -5.449 10.749 2.780
146 HA SER 20 HA SER 20 -3.382 12.488 2.131
147 HB2 SER 20 HB1 SER 20 -3.101 12.697 4.371
148 HB3 SER 20 HB2 SER 20 -4.575 11.703 4.454
149 HG SER 20 HG SER 20 -3.302 10.431 5.576
150 H ASN 21 HN ASN 21 -3.379 9.000 2.471
151 HA ASN 21 HA ASN 21 -0.690 8.447 2.692
152 HB2 ASN 21 HB1 ASN 21 -2.977 7.025 1.368
153 HB3 ASN 21 HB2 ASN 21 -1.324 6.391 1.181
154 HD21 ASN 21 1HD2 ASN 21 -0.194 6.783 3.571
155 HD22 ASN 21 2HD2 ASN 21 -1.030 5.917 4.810
156 H ASN 22 HN ASN 22 -2.475 9.570 -0.089
157 HA ASN 22 HA ASN 22 -0.682 8.930 -2.128
158 HB2 ASN 22 HB1 ASN 22 -2.791 9.710 -2.811
159 HB3 ASN 22 HB2 ASN 22 -2.683 11.155 -1.776
160 HD21 ASN 22 1HD2 ASN 22 -1.358 12.878 -2.431
161 HD22 ASN 22 2HD2 ASN 22 -0.880 13.077 -4.081
162 H PHE 23 HN PHE 23 -0.775 11.711 0.051
163 HA PHE 23 HA PHE 23 1.589 12.869 -1.170
164 HB2 PHE 23 HB1 PHE 23 -0.585 13.916 0.197
165 HB3 PHE 23 HB2 PHE 23 0.746 14.031 1.374
166 HD1 PHE 23 HD1 PHE 23 3.052 14.592 -0.306
167 HD2 PHE 23 HD2 PHE 23 -0.931 16.063 -0.602
168 HE1 PHE 23 HE1 PHE 23 3.886 16.610 -1.439
169 HE2 PHE 23 HE2 PHE 23 -0.103 18.083 -1.736
170 HZ PHE 23 HZ PHE 23 2.307 18.359 -2.156
171 H GLY 24 HN GLY 24 0.662 11.543 2.002
172 HA2 GLY 24 HA1 GLY 24 3.140 11.794 3.262
173 HA3 GLY 24 HA2 GLY 24 1.922 10.593 3.668
174 H ALA 25 HN ALA 25 2.097 9.535 0.849
175 HA ALA 25 HA ALA 25 3.794 7.388 1.303
176 HB1 ALA 25 HB1 ALA 25 3.588 6.906 -1.102
177 HB2 ALA 25 HB2 ALA 25 2.892 8.525 -1.351
178 HB3 ALA 25 HB3 ALA 25 2.023 7.325 -0.366
179 H ILE 26 HN ILE 26 4.497 10.557 0.063
180 HA ILE 26 HA ILE 26 7.088 9.837 -0.980
181 HB ILE 26 HB ILE 26 5.887 12.563 -0.478
182 HG12 ILE 26 1HG1 ILE 26 6.055 12.257 -3.183
183 HG13 ILE 26 2HG1 ILE 26 5.690 10.592 -2.668
184 HG21 ILE 26 1HG2 ILE 26 7.654 13.398 -1.969
185 HG22 ILE 26 2HG2 ILE 26 8.350 11.761 -2.039
186 HG23 ILE 26 3HG2 ILE 26 8.320 12.650 -0.497
187 HD11 ILE 26 3HD1 ILE 26 3.695 11.396 -1.487
188 HD12 ILE 26 1HD1 ILE 26 3.648 11.823 -3.214
189 HD13 ILE 26 2HD1 ILE 26 4.060 13.060 -2.002
190 H LEU 27 HN LEU 27 5.774 10.938 2.028
191 HA LEU 27 HA LEU 27 8.292 11.843 3.099
192 HB2 LEU 27 HB1 LEU 27 5.523 11.970 3.831
193 HB3 LEU 27 HB2 LEU 27 6.465 11.317 5.193
194 HG LEU 27 HG LEU 27 7.117 13.915 3.793
195 HD11 LEU 27 1HD1 LEU 27 6.093 15.030 5.718
196 HD12 LEU 27 2HD1 LEU 27 5.554 13.452 6.341
197 HD13 LEU 27 3HD1 LEU 27 4.903 14.072 4.805
198 HD21 LEU 27 3HD2 LEU 27 8.013 12.727 6.429
199 HD22 LEU 27 1HD2 LEU 27 8.457 14.333 5.803
200 HD23 LEU 27 2HD2 LEU 27 8.995 12.866 4.951
201 H SER 28 HN SER 28 6.246 8.979 3.386
202 HA SER 28 HA SER 28 8.096 7.716 5.230
203 HB2 SER 28 HB1 SER 28 5.467 7.510 5.137
204 HB3 SER 28 HB2 SER 28 5.823 6.248 3.933
205 HG SER 28 HG SER 28 5.688 5.451 6.112
206 H SER 29 HN SER 29 7.069 7.398 1.869
207 HA SER 29 HA SER 29 7.988 6.334 0.082
208 HB2 SER 29 HB1 SER 29 10.560 5.869 1.545
209 HB3 SER 29 HB2 SER 29 10.288 6.387 -0.136
210 HG SER 29 HG SER 29 9.574 8.422 0.748
211 H THR 30 HN THR 30 6.720 4.833 2.301
212 HA THR 30 HA THR 30 8.092 2.342 2.574
213 HB THR 30 HB THR 30 6.495 3.074 4.274
214 HG1 THR 30 HG1 THR 30 5.389 0.777 3.029
215 HG21 THR 30 3HG2 THR 30 4.898 4.237 2.826
216 HG22 THR 30 1HG2 THR 30 4.075 3.024 3.835
217 HG23 THR 30 2HG2 THR 30 4.401 2.680 2.120
218 H ASN 31 HN ASN 31 5.904 3.687 0.253
219 HA ASN 31 HA ASN 31 5.714 1.064 -1.077
220 HB2 ASN 31 HB1 ASN 31 3.525 1.902 -0.368
221 HB3 ASN 31 HB2 ASN 31 3.817 3.422 -1.248
222 HD21 ASN 31 1HD2 ASN 31 3.518 3.486 -3.425
223 HD22 ASN 31 2HD2 ASN 31 2.883 2.175 -4.351
224 H VAL 32 HN VAL 32 6.603 4.401 -1.365
225 HA VAL 32 HA VAL 32 6.999 4.229 -4.242
226 HB VAL 32 HB VAL 32 7.605 6.487 -2.327
227 HG11 VAL 32 1HG1 VAL 32 7.804 7.876 -4.346
228 HG12 VAL 32 2HG1 VAL 32 7.592 6.423 -5.352
229 HG13 VAL 32 3HG1 VAL 32 9.024 6.580 -4.308
230 HG21 VAL 32 3HG2 VAL 32 5.297 6.080 -4.241
231 HG22 VAL 32 1HG2 VAL 32 5.601 7.546 -3.279
232 HG23 VAL 32 2HG2 VAL 32 5.217 6.011 -2.464
233 H GLY 33 HN GLY 33 9.140 5.466 -1.675
234 HA2 GLY 33 HA1 GLY 33 11.515 4.998 -3.087
235 HA3 GLY 33 HA2 GLY 33 11.398 5.234 -1.349
236 H SER 34 HN SER 34 9.667 2.913 -0.957
237 HA SER 34 HA SER 34 11.544 0.991 -0.321
238 HB2 SER 34 HB1 SER 34 9.136 1.135 0.472
239 HB3 SER 34 HB2 SER 34 8.678 0.354 -1.061
240 HG SER 34 HG SER 34 9.115 -1.444 -0.062
241 H ASN 35 HN ASN 35 9.750 1.436 -3.311
242 HA ASN 35 HA ASN 35 10.220 -0.968 -4.585
243 HB2 ASN 35 HB1 ASN 35 8.981 1.279 -5.320
244 HB3 ASN 35 HB2 ASN 35 10.509 1.525 -6.200
245 HD21 ASN 35 1HD2 ASN 35 11.222 -0.349 -7.537
246 HD22 ASN 35 2HD2 ASN 35 10.008 -1.226 -8.398
247 H THR 36 HN THR 36 12.483 1.374 -3.615
248 HA THR 36 HA THR 36 14.546 0.174 -5.346
249 HB THR 36 HB THR 36 14.523 2.922 -4.086
250 HG1 THR 36 HG1 THR 36 13.840 3.588 -5.985
251 HG21 THR 36 3HG2 THR 36 16.787 1.988 -4.147
252 HG22 THR 36 1HG2 THR 36 16.608 3.302 -5.334
253 HG23 THR 36 2HG2 THR 36 16.585 1.607 -5.874
254 H TYR 37 HN TYR 37 13.779 1.290 -2.089
255 HA TYR 37 HA TYR 37 16.213 -0.019 -1.088
256 HB2 TYR 37 HB1 TYR 37 14.376 1.799 0.474
257 HB3 TYR 37 HB2 TYR 37 16.043 1.315 0.872
258 HD1 TYR 37 HD1 TYR 37 17.396 1.760 -1.722
259 HD2 TYR 37 HD2 TYR 37 14.494 4.132 0.290
260 HE1 TYR 37 HE1 TYR 37 18.253 3.764 -2.861
261 HE2 TYR 37 HE2 TYR 37 15.342 6.143 -0.844
262 HH TYR 37 HH TYR 37 16.623 6.847 -2.630
263 HN1 NH2 38 HN1 NH2 37 13.854 -1.824 -2.049
264 HN2 NH2 38 HN2 NH2 37 13.207 -2.605 -0.498
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 2.108 -6.071 8.584
2 H2 LYS 1 HT2 LYS 1 2.218 -7.808 8.736
3 H3 LYS 1 HT3 LYS 1 0.654 -7.038 8.630
4 HA LYS 1 HA LYS 1 1.132 -6.315 6.424
5 HB2 LYS 1 HB1 LYS 1 3.738 -7.804 6.834
6 HB3 LYS 1 HB2 LYS 1 3.149 -7.207 5.263
7 HG2 LYS 1 HG1 LYS 1 3.057 -4.900 6.463
8 HG3 LYS 1 HG2 LYS 1 4.155 -5.664 7.637
9 HD2 LYS 1 HD1 LYS 1 5.360 -6.394 5.330
10 HD3 LYS 1 HD2 LYS 1 4.623 -4.857 4.817
11 HE2 LYS 1 HE1 LYS 1 5.640 -3.930 7.035
12 HE3 LYS 1 HE2 LYS 1 6.683 -5.371 6.951
13 HZ1 LYS 1 HZ1 LYS 1 7.331 -4.649 4.694
14 HZ2 LYS 1 HZ2 LYS 1 7.775 -3.540 5.892
15 HZ3 LYS 1 HZ3 LYS 1 6.441 -3.226 4.902
16 H CYS 2 HN CYS 2 0.885 -7.756 4.530
17 HA CYS 2 HA CYS 2 0.325 -10.546 5.248
18 HB2 CYS 2 HB1 CYS 2 -1.790 -10.466 3.981
19 HB3 CYS 2 HB2 CYS 2 -1.802 -9.395 5.403
20 H ASN 3 HN ASN 3 -0.056 -11.908 3.271
21 HA ASN 3 HA ASN 3 1.304 -10.879 0.888
22 HB2 ASN 3 HB1 ASN 3 2.766 -12.294 2.606
23 HB3 ASN 3 HB2 ASN 3 1.981 -13.653 1.765
24 HD21 ASN 3 1HD2 ASN 3 4.607 -11.650 1.768
25 HD22 ASN 3 2HD2 ASN 3 5.112 -11.840 0.126
26 H THR 4 HN THR 4 -1.476 -11.413 1.445
27 HA THR 4 HA THR 4 -1.989 -13.765 -0.245
28 HB THR 4 HB THR 4 -4.428 -13.299 0.581
29 HG1 THR 4 HG1 THR 4 -4.348 -12.387 2.741
30 HG21 THR 4 3HG2 THR 4 -3.134 -15.304 1.139
31 HG22 THR 4 1HG2 THR 4 -4.047 -14.723 2.551
32 HG23 THR 4 2HG2 THR 4 -2.299 -14.409 2.432
33 H ALA 5 HN ALA 5 -4.103 -13.490 -1.562
34 HA ALA 5 HA ALA 5 -3.704 -11.196 -3.284
35 HB1 ALA 5 HB1 ALA 5 -5.344 -12.286 -4.758
36 HB2 ALA 5 HB2 ALA 5 -5.617 -13.528 -3.514
37 HB3 ALA 5 HB3 ALA 5 -4.025 -13.386 -4.296
38 H THR 6 HN THR 6 -6.392 -12.577 -1.401
39 HA THR 6 HA THR 6 -8.325 -10.670 -1.954
40 HB THR 6 HB THR 6 -8.930 -12.670 -0.764
41 HG1 THR 6 HG1 THR 6 -10.273 -10.938 -0.279
42 HG21 THR 6 3HG2 THR 6 -6.850 -13.014 0.482
43 HG22 THR 6 1HG2 THR 6 -8.258 -13.068 1.568
44 HG23 THR 6 2HG2 THR 6 -7.233 -11.614 1.512
45 H CYS 7 HN CYS 7 -5.585 -10.508 0.201
46 HA CYS 7 HA CYS 7 -6.274 -8.446 1.891
47 HB2 CYS 7 HB1 CYS 7 -3.985 -9.857 1.362
48 HB3 CYS 7 HB2 CYS 7 -3.547 -8.222 0.812
49 H ALA 8 HN ALA 8 -5.432 -8.316 -1.495
50 HA ALA 8 HA ALA 8 -4.730 -5.716 -1.918
51 HB1 ALA 8 HB1 ALA 8 -5.782 -5.890 -4.136
52 HB2 ALA 8 HB2 ALA 8 -6.633 -7.358 -3.601
53 HB3 ALA 8 HB3 ALA 8 -4.857 -7.351 -3.714
54 H THR 9 HN THR 9 -7.987 -6.966 -1.352
55 HA THR 9 HA THR 9 -9.430 -4.630 -1.874
56 HB THR 9 HB THR 9 -10.406 -6.302 0.365
57 HG1 THR 9 HG1 THR 9 -10.666 -8.115 -0.876
58 HG21 THR 9 3HG2 THR 9 -11.828 -4.628 -0.723
59 HG22 THR 9 1HG2 THR 9 -12.469 -6.269 -0.976
60 HG23 THR 9 2HG2 THR 9 -11.596 -5.444 -2.288
61 H GLN 10 HN GLN 10 -7.980 -5.798 1.146
62 HA GLN 10 HA GLN 10 -8.903 -3.694 2.777
63 HB2 GLN 10 HB1 GLN 10 -7.290 -6.016 3.072
64 HB3 GLN 10 HB2 GLN 10 -6.370 -4.636 3.719
65 HG2 GLN 10 HG1 GLN 10 -8.214 -4.069 5.199
66 HG3 GLN 10 HG2 GLN 10 -9.193 -5.390 4.517
67 HE21 GLN 10 1HE2 GLN 10 -7.700 -4.626 7.189
68 HE22 GLN 10 2HE2 GLN 10 -7.062 -6.150 7.689
69 H ARG 11 HN ARG 11 -5.742 -4.200 1.213
70 HA ARG 11 HA ARG 11 -4.521 -1.843 2.026
71 HB2 ARG 11 HB1 ARG 11 -4.037 -3.920 0.085
72 HB3 ARG 11 HB2 ARG 11 -3.627 -2.330 -0.603
73 HG2 ARG 11 HG1 ARG 11 -1.895 -1.993 0.845
74 HG3 ARG 11 HG2 ARG 11 -2.646 -2.951 2.144
75 HD2 ARG 11 HD1 ARG 11 -1.454 -4.739 1.559
76 HD3 ARG 11 HD2 ARG 11 -2.111 -4.666 -0.094
77 HE ARG 11 HE ARG 11 -0.055 -2.752 0.211
78 HH11 ARG 11 1HH1 ARG 11 -0.551 -6.189 -0.038
79 HH12 ARG 11 2HH1 ARG 11 1.004 -6.494 -0.740
80 HH21 ARG 11 1HH2 ARG 11 1.995 -3.140 -0.713
81 HH22 ARG 11 2HH2 ARG 11 2.451 -4.760 -1.122
82 H LEU 12 HN LEU 12 -5.988 -2.412 -1.180
83 HA LEU 12 HA LEU 12 -5.896 0.137 -2.169
84 HB2 LEU 12 HB1 LEU 12 -7.045 -2.241 -2.942
85 HB3 LEU 12 HB2 LEU 12 -8.453 -1.174 -2.729
86 HG LEU 12 HG LEU 12 -7.514 0.400 -4.339
87 HD11 LEU 12 1HD1 LEU 12 -5.511 -0.160 -5.633
88 HD12 LEU 12 2HD1 LEU 12 -5.259 -1.595 -4.611
89 HD13 LEU 12 3HD1 LEU 12 -5.143 0.033 -3.903
90 HD21 LEU 12 3HD2 LEU 12 -7.557 -2.448 -5.361
91 HD22 LEU 12 1HD2 LEU 12 -7.722 -0.981 -6.355
92 HD23 LEU 12 2HD2 LEU 12 -8.969 -1.386 -5.152
93 H ALA 13 HN ALA 13 -8.682 -1.260 -0.430
94 HA ALA 13 HA ALA 13 -10.287 0.963 -0.288
95 HB1 ALA 13 HB1 ALA 13 -11.274 -0.021 1.739
96 HB2 ALA 13 HB2 ALA 13 -9.900 -1.148 1.843
97 HB3 ALA 13 HB3 ALA 13 -11.018 -1.232 0.460
98 H ASN 14 HN ASN 14 -7.498 0.160 1.706
99 HA ASN 14 HA ASN 14 -7.863 2.228 3.612
100 HB2 ASN 14 HB1 ASN 14 -6.026 0.100 3.160
101 HB3 ASN 14 HB2 ASN 14 -5.084 1.602 3.326
102 HD21 ASN 14 1HD2 ASN 14 -4.244 1.265 5.313
103 HD22 ASN 14 2HD2 ASN 14 -5.181 1.125 6.759
104 H PHE 15 HN PHE 15 -6.132 2.014 0.553
105 HA PHE 15 HA PHE 15 -4.890 4.583 0.804
106 HB2 PHE 15 HB1 PHE 15 -3.684 3.201 -0.600
107 HB3 PHE 15 HB2 PHE 15 -5.147 2.527 -1.356
108 HD1 PHE 15 HD1 PHE 15 -3.217 5.713 -1.088
109 HD2 PHE 15 HD2 PHE 15 -5.772 3.269 -3.457
110 HE1 PHE 15 HE1 PHE 15 -2.953 7.271 -2.974
111 HE2 PHE 15 HE2 PHE 15 -5.511 4.821 -5.347
112 HZ PHE 15 HZ PHE 15 -4.099 6.826 -5.107
113 H LEU 16 HN LEU 16 -7.956 3.432 -0.261
114 HA LEU 16 HA LEU 16 -8.592 5.732 -1.870
115 HB2 LEU 16 HB1 LEU 16 -9.958 3.241 -1.018
116 HB3 LEU 16 HB2 LEU 16 -10.998 4.632 -1.409
117 HG LEU 16 HG LEU 16 -9.803 4.725 -3.642
118 HD11 LEU 16 1HD1 LEU 16 -8.700 2.672 -4.397
119 HD12 LEU 16 2HD1 LEU 16 -8.854 1.992 -2.760
120 HD13 LEU 16 3HD1 LEU 16 -7.830 3.422 -3.038
121 HD21 LEU 16 3HD2 LEU 16 -11.396 2.242 -2.967
122 HD22 LEU 16 1HD2 LEU 16 -11.149 2.911 -4.597
123 HD23 LEU 16 2HD2 LEU 16 -12.064 3.838 -3.385
124 H VAL 17 HN VAL 17 -9.364 4.581 1.383
125 HA VAL 17 HA VAL 17 -11.047 6.836 1.981
126 HB VAL 17 HB VAL 17 -11.524 4.759 3.100
127 HG11 VAL 17 1HG1 VAL 17 -9.958 3.738 4.696
128 HG12 VAL 17 2HG1 VAL 17 -8.735 4.955 4.258
129 HG13 VAL 17 3HG1 VAL 17 -9.291 3.776 3.047
130 HG21 VAL 17 3HG2 VAL 17 -10.370 6.777 5.039
131 HG22 VAL 17 1HG2 VAL 17 -11.531 5.491 5.448
132 HG23 VAL 17 2HG2 VAL 17 -12.008 6.803 4.344
133 H HIS 18 HN HIS 18 -7.686 5.992 2.398
134 HA HIS 18 HA HIS 18 -7.235 8.430 3.970
135 HB2 HIS 18 HB1 HIS 18 -5.444 6.042 3.467
136 HB3 HIS 18 HB2 HIS 18 -4.987 7.475 4.420
137 HD1 HIS 18 HD1 HIS 18 -6.210 7.784 6.726
138 HD2 HIS 18 HD2 HIS 18 -7.027 4.195 4.800
139 HE1 HIS 18 HE1 HIS 18 -7.276 6.316 8.467
140 H SER 19 HN SER 19 -7.720 9.475 1.775
141 HA SER 19 HA SER 19 -6.058 9.340 -0.422
142 HB2 SER 19 HB1 SER 19 -8.001 11.219 0.646
143 HB3 SER 19 HB2 SER 19 -6.663 12.067 -0.167
144 HG SER 19 HG SER 19 -7.893 11.595 -1.854
145 H SER 20 HN SER 20 -5.480 10.810 2.680
146 HA SER 20 HA SER 20 -3.409 12.562 2.074
147 HB2 SER 20 HB1 SER 20 -4.637 11.631 4.392
148 HB3 SER 20 HB2 SER 20 -2.944 11.109 4.567
149 HG SER 20 HG SER 20 -3.967 13.732 4.232
150 H ASN 21 HN ASN 21 -3.394 9.076 2.432
151 HA ASN 21 HA ASN 21 -0.708 8.541 2.730
152 HB2 ASN 21 HB1 ASN 21 -2.954 7.097 1.366
153 HB3 ASN 21 HB2 ASN 21 -1.293 6.473 1.211
154 HD21 ASN 21 1HD2 ASN 21 -0.861 4.947 2.615
155 HD22 ASN 21 2HD2 ASN 21 -1.461 4.831 4.231
156 H ASN 22 HN ASN 22 -2.423 9.640 -0.100
157 HA ASN 22 HA ASN 22 -0.593 8.994 -2.099
158 HB2 ASN 22 HB1 ASN 22 -2.675 9.797 -2.828
159 HB3 ASN 22 HB2 ASN 22 -2.581 11.236 -1.784
160 HD21 ASN 22 1HD2 ASN 22 -1.229 12.952 -2.404
161 HD22 ASN 22 2HD2 ASN 22 -0.712 13.153 -4.040
162 H PHE 23 HN PHE 23 -0.703 11.777 0.080
163 HA PHE 23 HA PHE 23 1.699 12.909 -1.090
164 HB2 PHE 23 HB1 PHE 23 -0.092 14.413 -0.380
165 HB3 PHE 23 HB2 PHE 23 0.033 13.788 1.282
166 HD1 PHE 23 HD1 PHE 23 2.690 14.788 -1.141
167 HD2 PHE 23 HD2 PHE 23 0.777 15.551 2.584
168 HE1 PHE 23 HE1 PHE 23 4.382 16.498 -0.627
169 HE2 PHE 23 HE2 PHE 23 2.466 17.263 3.104
170 HZ PHE 23 HZ PHE 23 4.271 17.740 1.497
171 H GLY 24 HN GLY 24 0.690 11.576 2.052
172 HA2 GLY 24 HA1 GLY 24 3.135 11.809 3.376
173 HA3 GLY 24 HA2 GLY 24 1.903 10.612 3.743
174 H ALA 25 HN ALA 25 2.112 9.525 0.965
175 HA ALA 25 HA ALA 25 3.827 7.398 1.450
176 HB1 ALA 25 HB1 ALA 25 3.624 6.878 -0.947
177 HB2 ALA 25 HB2 ALA 25 2.912 8.486 -1.221
178 HB3 ALA 25 HB3 ALA 25 2.056 7.292 -0.215
179 H ILE 26 HN ILE 26 4.505 10.557 0.178
180 HA ILE 26 HA ILE 26 7.096 9.847 -0.870
181 HB ILE 26 HB ILE 26 5.877 12.568 -0.384
182 HG12 ILE 26 1HG1 ILE 26 6.041 12.240 -3.088
183 HG13 ILE 26 2HG1 ILE 26 5.681 10.580 -2.556
184 HG21 ILE 26 1HG2 ILE 26 7.632 13.404 -1.886
185 HG22 ILE 26 2HG2 ILE 26 8.341 11.773 -1.946
186 HG23 ILE 26 3HG2 ILE 26 8.309 12.674 -0.412
187 HD11 ILE 26 3HD1 ILE 26 3.690 11.390 -1.375
188 HD12 ILE 26 1HD1 ILE 26 3.636 11.801 -3.106
189 HD13 ILE 26 2HD1 ILE 26 4.050 13.050 -1.907
190 H LEU 27 HN LEU 27 5.786 10.967 2.134
191 HA LEU 27 HA LEU 27 8.302 11.896 3.188
192 HB2 LEU 27 HB1 LEU 27 5.586 12.165 3.869
193 HB3 LEU 27 HB2 LEU 27 6.348 11.292 5.220
194 HG LEU 27 HG LEU 27 7.572 13.825 4.178
195 HD11 LEU 27 1HD1 LEU 27 6.252 15.101 5.801
196 HD12 LEU 27 2HD1 LEU 27 5.303 13.641 6.170
197 HD13 LEU 27 3HD1 LEU 27 5.223 14.368 4.547
198 HD21 LEU 27 3HD2 LEU 27 7.479 12.495 6.895
199 HD22 LEU 27 1HD2 LEU 27 8.347 13.997 6.498
200 HD23 LEU 27 2HD2 LEU 27 8.844 12.459 5.754
201 H SER 28 HN SER 28 6.281 9.016 3.498
202 HA SER 28 HA SER 28 8.143 7.781 5.348
203 HB2 SER 28 HB1 SER 28 5.642 6.664 4.043
204 HB3 SER 28 HB2 SER 28 6.569 5.889 5.351
205 HG SER 28 HG SER 28 4.662 7.176 5.986
206 H SER 29 HN SER 29 7.109 7.426 1.993
207 HA SER 29 HA SER 29 8.017 6.336 0.214
208 HB2 SER 29 HB1 SER 29 10.655 5.832 1.413
209 HB3 SER 29 HB2 SER 29 10.226 6.720 -0.069
210 HG SER 29 HG SER 29 9.574 8.465 1.357
211 H THR 30 HN THR 30 6.723 4.811 2.298
212 HA THR 30 HA THR 30 8.226 2.362 2.604
213 HB THR 30 HB THR 30 6.669 3.182 4.371
214 HG1 THR 30 HG1 THR 30 7.235 0.858 3.929
215 HG21 THR 30 3HG2 THR 30 4.882 4.029 2.926
216 HG22 THR 30 1HG2 THR 30 4.253 2.827 4.078
217 HG23 THR 30 2HG2 THR 30 4.533 2.371 2.381
218 H ASN 31 HN ASN 31 5.735 3.627 0.516
219 HA ASN 31 HA ASN 31 5.485 0.998 -0.782
220 HB2 ASN 31 HB1 ASN 31 3.350 1.850 -0.032
221 HB3 ASN 31 HB2 ASN 31 3.653 3.410 -0.834
222 HD21 ASN 31 1HD2 ASN 31 4.162 0.096 -1.982
223 HD22 ASN 31 2HD2 ASN 31 3.111 0.220 -3.349
224 H VAL 32 HN VAL 32 6.386 4.328 -1.241
225 HA VAL 32 HA VAL 32 6.734 3.960 -4.117
226 HB VAL 32 HB VAL 32 7.321 6.429 -2.484
227 HG11 VAL 32 1HG1 VAL 32 7.123 7.587 -4.642
228 HG12 VAL 32 2HG1 VAL 32 6.867 6.021 -5.447
229 HG13 VAL 32 3HG1 VAL 32 8.424 6.373 -4.660
230 HG21 VAL 32 3HG2 VAL 32 4.792 5.680 -3.968
231 HG22 VAL 32 1HG2 VAL 32 5.128 7.261 -3.222
232 HG23 VAL 32 2HG2 VAL 32 4.978 5.810 -2.203
233 H GLY 33 HN GLY 33 8.666 4.768 -1.245
234 HA2 GLY 33 HA1 GLY 33 11.146 4.766 -2.685
235 HA3 GLY 33 HA2 GLY 33 10.955 4.822 -0.940
236 H SER 34 HN SER 34 9.704 2.527 -0.316
237 HA SER 34 HA SER 34 11.725 0.631 -0.293
238 HB2 SER 34 HB1 SER 34 9.541 0.811 1.124
239 HB3 SER 34 HB2 SER 34 8.832 -0.197 -0.161
240 HG SER 34 HG SER 34 10.000 -1.859 0.488
241 H ASN 35 HN ASN 35 9.272 1.242 -2.681
242 HA ASN 35 HA ASN 35 9.159 -1.154 -4.049
243 HB2 ASN 35 HB1 ASN 35 7.967 1.160 -4.447
244 HB3 ASN 35 HB2 ASN 35 9.301 1.408 -5.598
245 HD21 ASN 35 1HD2 ASN 35 9.159 0.509 -7.552
246 HD22 ASN 35 2HD2 ASN 35 7.935 -0.601 -8.057
247 H THR 36 HN THR 36 11.827 0.912 -3.648
248 HA THR 36 HA THR 36 13.362 -0.688 -5.571
249 HB THR 36 HB THR 36 14.636 1.744 -5.706
250 HG1 THR 36 HG1 THR 36 12.809 2.752 -4.703
251 HG21 THR 36 3HG2 THR 36 14.227 0.215 -7.576
252 HG22 THR 36 1HG2 THR 36 13.738 1.874 -7.992
253 HG23 THR 36 2HG2 THR 36 12.504 0.664 -7.569
254 H TYR 37 HN TYR 37 13.632 1.777 -3.011
255 HA TYR 37 HA TYR 37 16.111 0.483 -2.111
256 HB2 TYR 37 HB1 TYR 37 14.967 3.240 -1.651
257 HB3 TYR 37 HB2 TYR 37 16.347 2.606 -0.722
258 HD1 TYR 37 HD2 TYR 37 15.228 3.186 -4.247
259 HD2 TYR 37 HD1 TYR 37 18.504 2.918 -1.545
260 HE1 TYR 37 HE2 TYR 37 16.756 3.906 -6.035
261 HE2 TYR 37 HE1 TYR 37 20.039 3.639 -3.325
262 HH TYR 37 HH TYR 37 19.893 4.941 -5.467
263 HN1 NH2 38 HN1 NH2 37 12.531 0.708 -1.327
264 HN2 NH2 38 HN2 NH2 37 12.689 0.136 0.429
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 5.307 -5.218 3.106
2 H2 LYS 1 HT2 LYS 1 4.165 -4.782 1.858
3 H3 LYS 1 HT3 LYS 1 4.968 -6.333 1.804
4 HA LYS 1 HA LYS 1 3.878 -6.993 3.804
5 HB2 LYS 1 HB1 LYS 1 2.058 -5.593 4.735
6 HB3 LYS 1 HB2 LYS 1 3.667 -4.851 4.903
7 HG2 LYS 1 HG1 LYS 1 2.989 -3.034 3.822
8 HG3 LYS 1 HG2 LYS 1 2.470 -4.011 2.427
9 HD2 LYS 1 HD1 LYS 1 0.559 -2.803 3.209
10 HD3 LYS 1 HD2 LYS 1 0.343 -4.507 3.678
11 HE2 LYS 1 HE1 LYS 1 1.491 -3.733 5.910
12 HE3 LYS 1 HE2 LYS 1 0.969 -2.114 5.385
13 HZ1 LYS 1 HZ1 LYS 1 -1.079 -2.565 6.051
14 HZ2 LYS 1 HZ2 LYS 1 -0.550 -4.047 6.673
15 HZ3 LYS 1 HZ3 LYS 1 -1.158 -3.959 5.095
16 H CYS 2 HN CYS 2 2.197 -8.354 3.453
17 HA CYS 2 HA CYS 2 0.547 -9.456 2.343
18 HB2 CYS 2 HB1 CYS 2 -0.147 -6.613 2.129
19 HB3 CYS 2 HB2 CYS 2 -0.852 -7.624 0.844
20 H ASN 3 HN ASN 3 -0.458 -9.715 0.028
21 HA ASN 3 HA ASN 3 1.306 -8.940 -2.125
22 HB2 ASN 3 HB1 ASN 3 1.985 -11.239 -0.793
23 HB3 ASN 3 HB2 ASN 3 0.945 -11.863 -2.096
24 HD21 ASN 3 1HD2 ASN 3 2.321 -12.710 -3.510
25 HD22 ASN 3 2HD2 ASN 3 3.664 -11.890 -4.224
26 H THR 4 HN THR 4 0.541 -10.602 -4.100
27 HA THR 4 HA THR 4 -1.981 -9.659 -4.836
28 HB THR 4 HB THR 4 -1.283 -12.199 -6.107
29 HG1 THR 4 HG1 THR 4 0.689 -11.502 -6.939
30 HG21 THR 4 3HG2 THR 4 -2.816 -10.564 -7.093
31 HG22 THR 4 1HG2 THR 4 -1.397 -10.817 -8.138
32 HG23 THR 4 2HG2 THR 4 -1.509 -9.356 -7.128
33 H ALA 5 HN ALA 5 -3.650 -10.069 -3.466
34 HA ALA 5 HA ALA 5 -4.949 -12.569 -3.615
35 HB1 ALA 5 HB1 ALA 5 -4.807 -13.267 -1.260
36 HB2 ALA 5 HB2 ALA 5 -3.626 -11.970 -0.961
37 HB3 ALA 5 HB3 ALA 5 -3.221 -13.305 -2.067
38 H THR 6 HN THR 6 -6.559 -12.572 -1.435
39 HA THR 6 HA THR 6 -8.463 -10.638 -1.988
40 HB THR 6 HB THR 6 -8.115 -12.031 0.672
41 HG1 THR 6 HG1 THR 6 -9.332 -13.686 -0.241
42 HG21 THR 6 3HG2 THR 6 -9.744 -10.203 0.716
43 HG22 THR 6 1HG2 THR 6 -10.555 -11.782 0.840
44 HG23 THR 6 2HG2 THR 6 -10.564 -10.897 -0.703
45 H CYS 7 HN CYS 7 -5.706 -10.498 0.136
46 HA CYS 7 HA CYS 7 -6.366 -8.450 1.856
47 HB2 CYS 7 HB1 CYS 7 -4.286 -9.634 2.089
48 HB3 CYS 7 HB2 CYS 7 -3.728 -9.049 0.503
49 H ALA 8 HN ALA 8 -5.581 -8.291 -1.542
50 HA ALA 8 HA ALA 8 -4.884 -5.688 -1.954
51 HB1 ALA 8 HB1 ALA 8 -5.971 -5.843 -4.156
52 HB2 ALA 8 HB2 ALA 8 -6.818 -7.312 -3.618
53 HB3 ALA 8 HB3 ALA 8 -5.044 -7.310 -3.762
54 H THR 9 HN THR 9 -8.133 -6.940 -1.344
55 HA THR 9 HA THR 9 -9.581 -4.599 -1.822
56 HB THR 9 HB THR 9 -10.520 -6.289 0.419
57 HG1 THR 9 HG1 THR 9 -10.476 -8.126 -0.649
58 HG21 THR 9 3HG2 THR 9 -11.959 -4.605 -0.627
59 HG22 THR 9 1HG2 THR 9 -12.605 -6.243 -0.883
60 HG23 THR 9 2HG2 THR 9 -11.755 -5.406 -2.203
61 H GLN 10 HN GLN 10 -8.080 -5.794 1.164
62 HA GLN 10 HA GLN 10 -8.974 -3.700 2.827
63 HB2 GLN 10 HB1 GLN 10 -8.047 -5.915 3.581
64 HB3 GLN 10 HB2 GLN 10 -6.430 -5.304 3.157
65 HG2 GLN 10 HG1 GLN 10 -7.107 -3.318 4.737
66 HG3 GLN 10 HG2 GLN 10 -8.255 -4.510 5.393
67 HE21 GLN 10 1HE2 GLN 10 -7.534 -6.000 6.777
68 HE22 GLN 10 2HE2 GLN 10 -5.879 -6.234 7.217
69 H ARG 11 HN ARG 11 -5.841 -4.200 1.205
70 HA ARG 11 HA ARG 11 -4.601 -1.851 2.015
71 HB2 ARG 11 HB1 ARG 11 -4.182 -3.890 -0.007
72 HB3 ARG 11 HB2 ARG 11 -3.709 -2.279 -0.599
73 HG2 ARG 11 HG1 ARG 11 -2.041 -2.038 0.989
74 HG3 ARG 11 HG2 ARG 11 -2.779 -3.222 2.096
75 HD2 ARG 11 HD1 ARG 11 -1.365 -4.745 1.289
76 HD3 ARG 11 HD2 ARG 11 -2.240 -4.648 -0.258
77 HE ARG 11 HE ARG 11 -0.233 -2.612 0.053
78 HH11 ARG 11 1HH1 ARG 11 -0.839 -5.901 -0.915
79 HH12 ARG 11 2HH1 ARG 11 0.538 -5.985 -1.963
80 HH21 ARG 11 1HH2 ARG 11 1.583 -2.710 -1.323
81 HH22 ARG 11 2HH2 ARG 11 1.916 -4.169 -2.193
82 H LEU 12 HN LEU 12 -6.123 -2.390 -1.169
83 HA LEU 12 HA LEU 12 -6.045 0.168 -2.136
84 HB2 LEU 12 HB1 LEU 12 -7.211 -2.202 -2.910
85 HB3 LEU 12 HB2 LEU 12 -8.614 -1.133 -2.666
86 HG LEU 12 HG LEU 12 -7.699 0.452 -4.278
87 HD11 LEU 12 1HD1 LEU 12 -5.719 -0.103 -5.608
88 HD12 LEU 12 2HD1 LEU 12 -5.452 -1.546 -4.602
89 HD13 LEU 12 3HD1 LEU 12 -5.322 0.077 -3.882
90 HD21 LEU 12 3HD2 LEU 12 -7.765 -2.389 -5.321
91 HD22 LEU 12 1HD2 LEU 12 -7.944 -0.913 -6.300
92 HD23 LEU 12 2HD2 LEU 12 -9.171 -1.325 -5.079
93 H ALA 13 HN ALA 13 -8.803 -1.241 -0.361
94 HA ALA 13 HA ALA 13 -10.402 0.984 -0.173
95 HB1 ALA 13 HB1 ALA 13 -11.353 -0.016 1.865
96 HB2 ALA 13 HB2 ALA 13 -9.978 -1.144 1.935
97 HB3 ALA 13 HB3 ALA 13 -11.121 -1.218 0.573
98 H ASN 14 HN ASN 14 -7.580 0.160 1.766
99 HA ASN 14 HA ASN 14 -7.907 2.215 3.695
100 HB2 ASN 14 HB1 ASN 14 -6.062 0.096 3.172
101 HB3 ASN 14 HB2 ASN 14 -5.138 1.603 3.384
102 HD21 ASN 14 1HD2 ASN 14 -6.796 -0.910 4.925
103 HD22 ASN 14 2HD2 ASN 14 -6.759 -0.282 6.533
104 H PHE 15 HN PHE 15 -6.229 2.021 0.605
105 HA PHE 15 HA PHE 15 -4.980 4.585 0.853
106 HB2 PHE 15 HB1 PHE 15 -3.802 3.211 -0.583
107 HB3 PHE 15 HB2 PHE 15 -5.280 2.548 -1.320
108 HD1 PHE 15 HD1 PHE 15 -3.333 5.725 -1.057
109 HD2 PHE 15 HD2 PHE 15 -5.942 3.312 -3.401
110 HE1 PHE 15 HE1 PHE 15 -3.097 7.298 -2.933
111 HE2 PHE 15 HE2 PHE 15 -5.708 4.882 -5.282
112 HZ PHE 15 HZ PHE 15 -4.284 6.877 -5.050
113 H LEU 16 HN LEU 16 -8.066 3.450 -0.166
114 HA LEU 16 HA LEU 16 -8.726 5.764 -1.745
115 HB2 LEU 16 HB1 LEU 16 -10.091 3.274 -0.881
116 HB3 LEU 16 HB2 LEU 16 -11.125 4.672 -1.261
117 HG LEU 16 HG LEU 16 -9.879 4.748 -3.499
118 HD11 LEU 16 1HD1 LEU 16 -8.936 2.620 -4.260
119 HD12 LEU 16 2HD1 LEU 16 -9.150 1.945 -2.627
120 HD13 LEU 16 3HD1 LEU 16 -8.017 3.292 -2.893
121 HD21 LEU 16 3HD2 LEU 16 -11.664 2.393 -2.846
122 HD22 LEU 16 1HD2 LEU 16 -11.354 3.048 -4.472
123 HD23 LEU 16 2HD2 LEU 16 -12.203 4.038 -3.261
124 H VAL 17 HN VAL 17 -9.443 4.587 1.513
125 HA VAL 17 HA VAL 17 -11.109 6.840 2.160
126 HB VAL 17 HB VAL 17 -11.571 4.754 3.267
127 HG11 VAL 17 1HG1 VAL 17 -9.981 3.716 4.828
128 HG12 VAL 17 2HG1 VAL 17 -8.764 4.934 4.380
129 HG13 VAL 17 3HG1 VAL 17 -9.343 3.767 3.167
130 HG21 VAL 17 3HG2 VAL 17 -10.382 6.752 5.204
131 HG22 VAL 17 1HG2 VAL 17 -11.537 5.464 5.622
132 HG23 VAL 17 2HG2 VAL 17 -12.032 6.785 4.537
133 H HIS 18 HN HIS 18 -7.745 5.987 2.506
134 HA HIS 18 HA HIS 18 -7.261 8.412 4.091
135 HB2 HIS 18 HB1 HIS 18 -5.483 6.025 3.539
136 HB3 HIS 18 HB2 HIS 18 -5.008 7.448 4.497
137 HD1 HIS 18 HD1 HIS 18 -6.194 7.741 6.824
138 HD2 HIS 18 HD2 HIS 18 -7.046 4.167 4.884
139 HE1 HIS 18 HE1 HIS 18 -7.234 6.259 8.569
140 H SER 19 HN SER 19 -7.781 9.472 1.912
141 HA SER 19 HA SER 19 -6.156 9.351 -0.312
142 HB2 SER 19 HB1 SER 19 -8.303 10.743 0.114
143 HB3 SER 19 HB2 SER 19 -7.187 11.992 0.718
144 HG SER 19 HG SER 19 -7.352 10.876 -1.885
145 H SER 20 HN SER 20 -5.525 10.797 2.789
146 HA SER 20 HA SER 20 -3.462 12.550 2.162
147 HB2 SER 20 HB1 SER 20 -4.675 11.895 4.453
148 HB3 SER 20 HB2 SER 20 -3.201 10.916 4.647
149 HG SER 20 HG SER 20 -2.403 12.751 5.338
150 H ASN 21 HN ASN 21 -3.445 9.062 2.495
151 HA ASN 21 HA ASN 21 -0.755 8.522 2.743
152 HB2 ASN 21 HB1 ASN 21 -3.028 7.091 1.406
153 HB3 ASN 21 HB2 ASN 21 -1.371 6.466 1.218
154 HD21 ASN 21 1HD2 ASN 21 -0.918 4.927 2.604
155 HD22 ASN 21 2HD2 ASN 21 -1.492 4.799 4.228
156 H ASN 22 HN ASN 22 -2.517 9.645 -0.050
157 HA ASN 22 HA ASN 22 -0.721 9.011 -2.082
158 HB2 ASN 22 HB1 ASN 22 -2.814 9.822 -2.772
159 HB3 ASN 22 HB2 ASN 22 -2.701 11.253 -1.720
160 HD21 ASN 22 1HD2 ASN 22 -1.354 12.972 -2.347
161 HD22 ASN 22 2HD2 ASN 22 -0.864 13.185 -3.991
162 H PHE 23 HN PHE 23 -0.789 11.775 0.119
163 HA PHE 23 HA PHE 23 1.594 12.914 -1.084
164 HB2 PHE 23 HB1 PHE 23 -0.185 14.411 -0.330
165 HB3 PHE 23 HB2 PHE 23 -0.024 13.777 1.326
166 HD1 PHE 23 HD2 PHE 23 2.518 14.865 -1.189
167 HD2 PHE 23 HD1 PHE 23 0.807 15.465 2.662
168 HE1 PHE 23 HE2 PHE 23 4.220 16.575 -0.702
169 HE2 PHE 23 HE1 PHE 23 2.505 17.175 3.154
170 HZ PHE 23 HZ PHE 23 4.215 17.731 1.471
171 H GLY 24 HN GLY 24 0.635 11.559 2.065
172 HA2 GLY 24 HA1 GLY 24 3.104 11.777 3.349
173 HA3 GLY 24 HA2 GLY 24 1.876 10.579 3.728
174 H ALA 25 HN ALA 25 2.036 9.511 0.938
175 HA ALA 25 HA ALA 25 3.756 7.379 1.379
176 HB1 ALA 25 HB1 ALA 25 3.511 6.877 -1.018
177 HB2 ALA 25 HB2 ALA 25 2.797 8.488 -1.268
178 HB3 ALA 25 HB3 ALA 25 1.956 7.289 -0.256
179 H ILE 26 HN ILE 26 4.416 10.548 0.120
180 HA ILE 26 HA ILE 26 6.989 9.842 -0.980
181 HB ILE 26 HB ILE 26 5.782 12.560 -0.450
182 HG12 ILE 26 1HG1 ILE 26 5.899 12.254 -3.159
183 HG13 ILE 26 2HG1 ILE 26 5.546 10.590 -2.634
184 HG21 ILE 26 1HG2 ILE 26 7.513 13.407 -1.977
185 HG22 ILE 26 2HG2 ILE 26 8.218 11.775 -2.062
186 HG23 ILE 26 3HG2 ILE 26 8.214 12.664 -0.519
187 HD11 ILE 26 3HD1 ILE 26 3.575 11.393 -1.415
188 HD12 ILE 26 1HD1 ILE 26 3.493 11.818 -3.141
189 HD13 ILE 26 2HD1 ILE 26 3.928 13.057 -1.940
190 H LEU 27 HN LEU 27 5.731 10.943 2.055
191 HA LEU 27 HA LEU 27 8.269 11.857 3.073
192 HB2 LEU 27 HB1 LEU 27 5.482 11.689 4.035
193 HB3 LEU 27 HB2 LEU 27 6.737 11.533 5.288
194 HG LEU 27 HG LEU 27 6.753 13.837 3.357
195 HD11 LEU 27 1HD1 LEU 27 5.496 15.147 5.001
196 HD12 LEU 27 2HD1 LEU 27 5.245 13.678 5.974
197 HD13 LEU 27 3HD1 LEU 27 4.524 13.805 4.351
198 HD21 LEU 27 3HD2 LEU 27 7.788 13.459 6.175
199 HD22 LEU 27 1HD2 LEU 27 7.945 14.936 5.195
200 HD23 LEU 27 2HD2 LEU 27 8.763 13.439 4.687
201 H SER 28 HN SER 28 6.242 8.982 3.398
202 HA SER 28 HA SER 28 8.130 7.728 5.210
203 HB2 SER 28 HB1 SER 28 6.381 5.741 4.589
204 HB3 SER 28 HB2 SER 28 6.106 6.942 5.874
205 HG SER 28 HG SER 28 4.698 7.988 4.615
206 H SER 29 HN SER 29 7.041 7.403 1.869
207 HA SER 29 HA SER 29 7.937 6.348 0.063
208 HB2 SER 29 HB1 SER 29 10.551 5.778 1.335
209 HB3 SER 29 HB2 SER 29 10.181 6.582 -0.210
210 HG SER 29 HG SER 29 10.227 8.455 0.768
211 H THR 30 HN THR 30 6.599 4.818 2.119
212 HA THR 30 HA THR 30 7.993 2.347 2.496
213 HB THR 30 HB THR 30 6.271 3.097 4.086
214 HG1 THR 30 HG1 THR 30 5.914 1.048 4.472
215 HG21 THR 30 3HG2 THR 30 4.723 4.147 2.503
216 HG22 THR 30 1HG2 THR 30 3.888 2.928 3.495
217 HG23 THR 30 2HG2 THR 30 4.339 2.551 1.815
218 H ASN 31 HN ASN 31 5.825 3.641 0.099
219 HA ASN 31 HA ASN 31 5.785 1.025 -1.256
220 HB2 ASN 31 HB1 ASN 31 3.808 2.032 -2.527
221 HB3 ASN 31 HB2 ASN 31 3.540 1.618 -0.817
222 HD21 ASN 31 1HD2 ASN 31 3.501 4.073 -3.172
223 HD22 ASN 31 2HD2 ASN 31 3.110 5.396 -2.133
224 H VAL 32 HN VAL 32 6.575 4.401 -1.523
225 HA VAL 32 HA VAL 32 7.153 4.209 -4.366
226 HB VAL 32 HB VAL 32 7.651 6.532 -2.500
227 HG11 VAL 32 1HG1 VAL 32 7.694 7.864 -4.565
228 HG12 VAL 32 2HG1 VAL 32 7.498 6.374 -5.518
229 HG13 VAL 32 3HG1 VAL 32 8.970 6.623 -4.549
230 HG21 VAL 32 3HG2 VAL 32 5.274 5.969 -4.289
231 HG22 VAL 32 1HG2 VAL 32 5.559 7.476 -3.385
232 HG23 VAL 32 2HG2 VAL 32 5.281 5.952 -2.509
233 H GLY 33 HN GLY 33 8.944 4.882 -1.358
234 HA2 GLY 33 HA1 GLY 33 11.492 4.820 -2.673
235 HA3 GLY 33 HA2 GLY 33 11.215 4.878 -0.939
236 H SER 34 HN SER 34 9.797 2.594 -0.477
237 HA SER 34 HA SER 34 11.747 0.650 -0.242
238 HB2 SER 34 HB1 SER 34 9.323 0.878 0.802
239 HB3 SER 34 HB2 SER 34 8.889 -0.209 -0.540
240 HG SER 34 HG SER 34 10.461 -1.673 0.237
241 H ASN 35 HN ASN 35 9.610 1.329 -2.912
242 HA ASN 35 HA ASN 35 9.683 -1.035 -4.336
243 HB2 ASN 35 HB1 ASN 35 8.360 0.994 -4.939
244 HB3 ASN 35 HB2 ASN 35 9.864 1.745 -5.526
245 HD21 ASN 35 1HD2 ASN 35 8.735 1.893 -7.563
246 HD22 ASN 35 2HD2 ASN 35 8.693 0.529 -8.623
247 H THR 36 HN THR 36 12.267 1.036 -3.566
248 HA THR 36 HA THR 36 14.013 -0.440 -5.419
249 HB THR 36 HB THR 36 15.195 2.093 -4.863
250 HG1 THR 36 HG1 THR 36 12.535 2.224 -5.885
251 HG21 THR 36 3HG2 THR 36 15.675 0.686 -6.810
252 HG22 THR 36 1HG2 THR 36 15.154 2.312 -7.313
253 HG23 THR 36 2HG2 THR 36 14.019 0.944 -7.409
254 H TYR 37 HN TYR 37 13.819 1.462 -2.433
255 HA TYR 37 HA TYR 37 16.202 0.040 -1.448
256 HB2 TYR 37 HB1 TYR 37 15.082 2.768 -0.906
257 HB3 TYR 37 HB2 TYR 37 16.067 1.960 0.337
258 HD1 TYR 37 HD2 TYR 37 16.143 2.925 -3.278
259 HD2 TYR 37 HD1 TYR 37 18.388 2.152 0.254
260 HE1 TYR 37 HE2 TYR 37 18.189 3.671 -4.421
261 HE2 TYR 37 HE1 TYR 37 20.439 2.897 -0.880
262 HH TYR 37 HH TYR 37 20.966 3.011 -3.842
263 HN1 NH2 38 HN1 NH2 37 14.715 1.708 1.347
264 HN2 NH2 38 HN2 NH2 37 13.735 0.267 1.979
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 0.897 -12.012 9.054
2 H2 LYS 1 HT2 LYS 1 -0.339 -13.202 8.729
3 H3 LYS 1 HT3 LYS 1 -0.734 -11.500 8.697
4 HA LYS 1 HA LYS 1 0.693 -11.178 6.831
5 HB2 LYS 1 HB1 LYS 1 1.324 -14.058 7.361
6 HB3 LYS 1 HB2 LYS 1 1.381 -13.456 5.687
7 HG2 LYS 1 HG1 LYS 1 2.903 -11.600 6.623
8 HG3 LYS 1 HG2 LYS 1 3.065 -12.651 8.051
9 HD2 LYS 1 HD1 LYS 1 3.432 -14.302 5.779
10 HD3 LYS 1 HD2 LYS 1 4.388 -12.826 5.500
11 HE2 LYS 1 HE1 LYS 1 5.918 -14.059 6.678
12 HE3 LYS 1 HE2 LYS 1 5.097 -13.234 8.025
13 HZ1 LYS 1 HZ1 LYS 1 4.333 -15.161 8.798
14 HZ2 LYS 1 HZ2 LYS 1 5.423 -15.926 7.756
15 HZ3 LYS 1 HZ3 LYS 1 3.817 -15.693 7.279
16 H CYS 2 HN CYS 2 -0.315 -11.118 4.854
17 HA CYS 2 HA CYS 2 -2.979 -12.280 4.769
18 HB2 CYS 2 HB1 CYS 2 -1.713 -9.922 3.732
19 HB3 CYS 2 HB2 CYS 2 -2.436 -10.842 2.389
20 H ASN 3 HN ASN 3 -0.393 -11.929 2.334
21 HA ASN 3 HA ASN 3 0.230 -13.254 0.591
22 HB2 ASN 3 HB1 ASN 3 -0.457 -15.393 2.624
23 HB3 ASN 3 HB2 ASN 3 0.414 -15.695 1.101
24 HD21 ASN 3 1HD2 ASN 3 2.474 -16.007 1.523
25 HD22 ASN 3 2HD2 ASN 3 3.449 -15.094 2.619
26 H THR 4 HN THR 4 -2.517 -12.390 0.640
27 HA THR 4 HA THR 4 -3.622 -14.403 -1.169
28 HB THR 4 HB THR 4 -5.931 -13.818 -0.066
29 HG1 THR 4 HG1 THR 4 -5.794 -13.319 2.091
30 HG21 THR 4 3HG2 THR 4 -4.978 -16.073 -0.194
31 HG22 THR 4 1HG2 THR 4 -5.732 -15.790 1.393
32 HG23 THR 4 2HG2 THR 4 -3.961 -15.727 1.225
33 H ALA 5 HN ALA 5 -4.842 -13.575 -2.825
34 HA ALA 5 HA ALA 5 -4.429 -10.909 -3.585
35 HB1 ALA 5 HB1 ALA 5 -6.045 -11.356 -5.388
36 HB2 ALA 5 HB2 ALA 5 -6.506 -12.872 -4.579
37 HB3 ALA 5 HB3 ALA 5 -4.855 -12.668 -5.211
38 H THR 6 HN THR 6 -7.051 -12.448 -1.841
39 HA THR 6 HA THR 6 -9.058 -10.567 -2.058
40 HB THR 6 HB THR 6 -9.802 -11.301 0.208
41 HG1 THR 6 HG1 THR 6 -8.451 -13.149 1.018
42 HG21 THR 6 3HG2 THR 6 -10.440 -12.576 -1.784
43 HG22 THR 6 1HG2 THR 6 -10.178 -13.656 -0.394
44 HG23 THR 6 2HG2 THR 6 -8.938 -13.523 -1.663
45 H CYS 7 HN CYS 7 -6.153 -10.484 -0.089
46 HA CYS 7 HA CYS 7 -6.733 -8.470 1.697
47 HB2 CYS 7 HB1 CYS 7 -4.515 -9.895 1.092
48 HB3 CYS 7 HB2 CYS 7 -4.063 -8.307 0.427
49 H ALA 8 HN ALA 8 -6.066 -8.242 -1.722
50 HA ALA 8 HA ALA 8 -5.360 -5.641 -2.107
51 HB1 ALA 8 HB1 ALA 8 -6.539 -5.732 -4.266
52 HB2 ALA 8 HB2 ALA 8 -7.382 -7.204 -3.727
53 HB3 ALA 8 HB3 ALA 8 -5.616 -7.219 -3.943
54 H THR 9 HN THR 9 -8.595 -6.867 -1.388
55 HA THR 9 HA THR 9 -10.038 -4.504 -1.760
56 HB THR 9 HB THR 9 -10.888 -6.229 0.492
57 HG1 THR 9 HG1 THR 9 -10.774 -8.038 -0.590
58 HG21 THR 9 3HG2 THR 9 -12.357 -4.505 -0.442
59 HG22 THR 9 1HG2 THR 9 -13.036 -6.129 -0.702
60 HG23 THR 9 2HG2 THR 9 -12.242 -5.271 -2.044
61 H GLN 10 HN GLN 10 -8.444 -5.772 1.150
62 HA GLN 10 HA GLN 10 -9.231 -3.685 2.873
63 HB2 GLN 10 HB1 GLN 10 -8.319 -5.926 3.560
64 HB3 GLN 10 HB2 GLN 10 -6.707 -5.340 3.081
65 HG2 GLN 10 HG1 GLN 10 -6.680 -3.711 4.787
66 HG3 GLN 10 HG2 GLN 10 -8.420 -3.906 5.108
67 HE21 GLN 10 1HE2 GLN 10 -5.241 -5.261 5.553
68 HE22 GLN 10 2HE2 GLN 10 -5.675 -6.392 6.784
69 H ARG 11 HN ARG 11 -6.178 -4.214 1.115
70 HA ARG 11 HA ARG 11 -4.857 -1.907 1.913
71 HB2 ARG 11 HB1 ARG 11 -4.659 -3.789 -0.366
72 HB3 ARG 11 HB2 ARG 11 -3.913 -2.190 -0.606
73 HG2 ARG 11 HG1 ARG 11 -2.185 -2.687 0.720
74 HG3 ARG 11 HG2 ARG 11 -3.241 -3.367 1.981
75 HD2 ARG 11 HD1 ARG 11 -1.822 -5.129 1.217
76 HD3 ARG 11 HD2 ARG 11 -3.450 -5.436 0.563
77 HE ARG 11 HE ARG 11 -2.619 -5.124 -1.556
78 HH11 ARG 11 1HH1 ARG 11 -0.282 -4.009 0.770
79 HH12 ARG 11 2HH1 ARG 11 0.977 -3.796 -0.402
80 HH21 ARG 11 1HH2 ARG 11 -0.970 -4.848 -3.109
81 HH22 ARG 11 2HH2 ARG 11 0.584 -4.273 -2.607
82 H LEU 12 HN LEU 12 -6.532 -2.352 -1.209
83 HA LEU 12 HA LEU 12 -6.442 0.223 -2.131
84 HB2 LEU 12 HB1 LEU 12 -7.692 -2.107 -2.896
85 HB3 LEU 12 HB2 LEU 12 -9.058 -1.014 -2.568
86 HG LEU 12 HG LEU 12 -8.183 0.583 -4.190
87 HD11 LEU 12 1HD1 LEU 12 -6.277 0.015 -5.619
88 HD12 LEU 12 2HD1 LEU 12 -5.995 -1.453 -4.653
89 HD13 LEU 12 3HD1 LEU 12 -5.799 0.152 -3.910
90 HD21 LEU 12 3HD2 LEU 12 -8.355 -2.233 -5.283
91 HD22 LEU 12 1HD2 LEU 12 -8.545 -0.735 -6.224
92 HD23 LEU 12 2HD2 LEU 12 -9.726 -1.146 -4.958
93 H ALA 13 HN ALA 13 -9.147 -1.166 -0.260
94 HA ALA 13 HA ALA 13 -10.689 1.086 0.043
95 HB1 ALA 13 HB1 ALA 13 -11.571 0.062 2.101
96 HB2 ALA 13 HB2 ALA 13 -10.219 -1.095 2.087
97 HB3 ALA 13 HB3 ALA 13 -11.422 -1.117 0.776
98 H ASN 14 HN ASN 14 -7.801 0.168 1.835
99 HA ASN 14 HA ASN 14 -8.000 2.189 3.816
100 HB2 ASN 14 HB1 ASN 14 -6.419 -0.017 3.460
101 HB3 ASN 14 HB2 ASN 14 -5.281 1.303 3.096
102 HD21 ASN 14 1HD2 ASN 14 -7.275 -0.192 5.527
103 HD22 ASN 14 2HD2 ASN 14 -6.602 0.641 6.882
104 H PHE 15 HN PHE 15 -6.467 2.023 0.650
105 HA PHE 15 HA PHE 15 -5.153 4.558 0.891
106 HB2 PHE 15 HB1 PHE 15 -4.067 3.189 -0.619
107 HB3 PHE 15 HB2 PHE 15 -5.590 2.570 -1.303
108 HD1 PHE 15 HD2 PHE 15 -3.566 5.699 -1.070
109 HD2 PHE 15 HD1 PHE 15 -6.329 3.389 -3.336
110 HE1 PHE 15 HE2 PHE 15 -3.378 7.303 -2.925
111 HE2 PHE 15 HE1 PHE 15 -6.145 4.989 -5.197
112 HZ PHE 15 HZ PHE 15 -4.670 6.950 -4.993
113 H LEU 16 HN LEU 16 -8.304 3.503 -0.009
114 HA LEU 16 HA LEU 16 -8.984 5.862 -1.514
115 HB2 LEU 16 HB1 LEU 16 -10.333 3.364 -0.676
116 HB3 LEU 16 HB2 LEU 16 -11.381 4.784 -0.910
117 HG LEU 16 HG LEU 16 -10.296 4.971 -3.223
118 HD11 LEU 16 1HD1 LEU 16 -9.414 2.885 -4.154
119 HD12 LEU 16 2HD1 LEU 16 -9.515 2.130 -2.545
120 HD13 LEU 16 3HD1 LEU 16 -8.402 3.490 -2.821
121 HD21 LEU 16 3HD2 LEU 16 -12.039 2.586 -2.566
122 HD22 LEU 16 1HD2 LEU 16 -11.842 3.324 -4.174
123 HD23 LEU 16 2HD2 LEU 16 -12.600 4.250 -2.857
124 H VAL 17 HN VAL 17 -9.577 4.633 1.749
125 HA VAL 17 HA VAL 17 -11.173 6.902 2.513
126 HB VAL 17 HB VAL 17 -11.625 4.803 3.598
127 HG11 VAL 17 1HG1 VAL 17 -9.989 3.706 5.069
128 HG12 VAL 17 2HG1 VAL 17 -8.768 4.910 4.592
129 HG13 VAL 17 3HG1 VAL 17 -9.420 3.778 3.384
130 HG21 VAL 17 3HG2 VAL 17 -10.315 6.742 5.518
131 HG22 VAL 17 1HG2 VAL 17 -11.474 5.466 5.962
132 HG23 VAL 17 2HG2 VAL 17 -11.991 6.817 4.925
133 H HIS 18 HN HIS 18 -7.813 5.981 2.694
134 HA HIS 18 HA HIS 18 -7.213 8.362 4.305
135 HB2 HIS 18 HB1 HIS 18 -5.509 5.954 3.622
136 HB3 HIS 18 HB2 HIS 18 -4.960 7.348 4.583
137 HD1 HIS 18 HD1 HIS 18 -6.022 7.615 6.971
138 HD2 HIS 18 HD2 HIS 18 -7.049 4.103 5.003
139 HE1 HIS 18 HE1 HIS 18 -7.009 6.119 8.736
140 H SER 19 HN SER 19 -7.818 9.471 2.167
141 HA SER 19 HA SER 19 -6.286 9.372 -0.126
142 HB2 SER 19 HB1 SER 19 -7.064 11.602 -0.621
143 HB3 SER 19 HB2 SER 19 -8.375 10.722 0.201
144 HG SER 19 HG SER 19 -8.186 12.004 1.892
145 H SER 20 HN SER 20 -5.514 10.757 2.972
146 HA SER 20 HA SER 20 -3.461 12.501 2.295
147 HB2 SER 20 HB1 SER 20 -3.010 12.607 4.533
148 HB3 SER 20 HB2 SER 20 -4.586 11.782 4.624
149 HG SER 20 HG SER 20 -2.048 10.829 5.177
150 H ASN 21 HN ASN 21 -3.464 9.007 2.564
151 HA ASN 21 HA ASN 21 -0.772 8.437 2.687
152 HB2 ASN 21 HB1 ASN 21 -3.107 7.052 1.410
153 HB3 ASN 21 HB2 ASN 21 -1.465 6.414 1.157
154 HD21 ASN 21 1HD2 ASN 21 -0.257 6.754 3.516
155 HD22 ASN 21 2HD2 ASN 21 -1.058 5.867 4.764
156 H ASN 22 HN ASN 22 -2.639 9.624 -0.011
157 HA ASN 22 HA ASN 22 -0.917 9.016 -2.120
158 HB2 ASN 22 HB1 ASN 22 -3.043 9.820 -2.718
159 HB3 ASN 22 HB2 ASN 22 -2.894 11.244 -1.660
160 HD21 ASN 22 1HD2 ASN 22 -1.578 12.972 -2.328
161 HD22 ASN 22 2HD2 ASN 22 -1.155 13.198 -3.989
162 H PHE 23 HN PHE 23 -0.926 11.753 0.118
163 HA PHE 23 HA PHE 23 1.403 12.927 -1.157
164 HB2 PHE 23 HB1 PHE 23 -0.345 14.409 -0.325
165 HB3 PHE 23 HB2 PHE 23 -0.148 13.741 1.313
166 HD1 PHE 23 HD1 PHE 23 2.389 14.824 -1.204
167 HD2 PHE 23 HD2 PHE 23 0.660 15.462 2.634
168 HE1 PHE 23 HE1 PHE 23 4.100 16.524 -0.719
169 HE2 PHE 23 HE2 PHE 23 2.368 17.164 3.124
170 HZ PHE 23 HZ PHE 23 4.090 17.698 1.446
171 H GLY 24 HN GLY 24 0.575 11.540 2.016
172 HA2 GLY 24 HA1 GLY 24 3.094 11.754 3.198
173 HA3 GLY 24 HA2 GLY 24 1.884 10.550 3.620
174 H ALA 25 HN ALA 25 1.960 9.549 0.777
175 HA ALA 25 HA ALA 25 3.659 7.386 1.132
176 HB1 ALA 25 HB1 ALA 25 3.373 6.954 -1.274
177 HB2 ALA 25 HB2 ALA 25 2.678 8.581 -1.469
178 HB3 ALA 25 HB3 ALA 25 1.835 7.365 -0.479
179 H ILE 26 HN ILE 26 4.339 10.578 -0.066
180 HA ILE 26 HA ILE 26 6.890 9.867 -1.210
181 HB ILE 26 HB ILE 26 5.719 12.586 -0.612
182 HG12 ILE 26 1HG1 ILE 26 5.797 12.335 -3.328
183 HG13 ILE 26 2HG1 ILE 26 5.439 10.663 -2.834
184 HG21 ILE 26 1HG2 ILE 26 7.442 13.444 -2.141
185 HG22 ILE 26 2HG2 ILE 26 8.127 11.807 -2.267
186 HG23 ILE 26 3HG2 ILE 26 8.151 12.664 -0.707
187 HD11 ILE 26 3HD1 ILE 26 3.491 11.453 -1.571
188 HD12 ILE 26 1HD1 ILE 26 3.390 11.915 -3.287
189 HD13 ILE 26 2HD1 ILE 26 3.849 13.125 -2.065
190 H LEU 27 HN LEU 27 5.682 10.915 1.862
191 HA LEU 27 HA LEU 27 8.239 11.784 2.867
192 HB2 LEU 27 HB1 LEU 27 5.479 11.491 3.961
193 HB3 LEU 27 HB2 LEU 27 6.842 11.550 5.105
194 HG LEU 27 HG LEU 27 6.728 13.695 3.059
195 HD11 LEU 27 1HD1 LEU 27 5.094 14.989 4.346
196 HD12 LEU 27 2HD1 LEU 27 4.805 13.577 5.391
197 HD13 LEU 27 3HD1 LEU 27 4.372 13.512 3.666
198 HD21 LEU 27 3HD2 LEU 27 7.286 13.634 6.032
199 HD22 LEU 27 1HD2 LEU 27 7.480 15.043 4.964
200 HD23 LEU 27 2HD2 LEU 27 8.504 13.605 4.734
201 H SER 28 HN SER 28 6.179 8.927 3.177
202 HA SER 28 HA SER 28 8.090 7.617 4.925
203 HB2 SER 28 HB1 SER 28 5.319 7.083 3.983
204 HB3 SER 28 HB2 SER 28 6.320 5.658 4.353
205 HG SER 28 HG SER 28 6.080 7.845 6.145
206 H SER 29 HN SER 29 6.924 7.362 1.605
207 HA SER 29 HA SER 29 7.680 6.209 -0.210
208 HB2 SER 29 HB1 SER 29 9.949 6.417 -0.672
209 HB3 SER 29 HB2 SER 29 9.708 7.682 0.557
210 HG SER 29 HG SER 29 11.175 6.663 1.664
211 H THR 30 HN THR 30 6.712 4.672 2.058
212 HA THR 30 HA THR 30 8.348 2.381 2.456
213 HB THR 30 HB THR 30 6.630 2.961 4.080
214 HG1 THR 30 HG1 THR 30 7.149 0.758 3.945
215 HG21 THR 30 3HG2 THR 30 4.966 3.914 2.556
216 HG22 THR 30 1HG2 THR 30 4.242 2.650 3.578
217 HG23 THR 30 2HG2 THR 30 4.651 2.297 1.883
218 H ASN 31 HN ASN 31 5.981 3.289 0.066
219 HA ASN 31 HA ASN 31 6.118 0.596 -1.112
220 HB2 ASN 31 HB1 ASN 31 3.855 1.558 -0.559
221 HB3 ASN 31 HB2 ASN 31 4.162 2.807 -1.790
222 HD21 ASN 31 1HD2 ASN 31 3.785 2.345 -3.871
223 HD22 ASN 31 2HD2 ASN 31 3.293 0.801 -4.471
224 H VAL 32 HN VAL 32 6.817 3.962 -1.644
225 HA VAL 32 HA VAL 32 7.524 3.500 -4.439
226 HB VAL 32 HB VAL 32 7.753 6.069 -2.870
227 HG11 VAL 32 1HG1 VAL 32 7.734 7.122 -5.092
228 HG12 VAL 32 2HG1 VAL 32 7.682 5.510 -5.844
229 HG13 VAL 32 3HG1 VAL 32 9.106 6.005 -4.898
230 HG21 VAL 32 3HG2 VAL 32 5.471 5.083 -4.598
231 HG22 VAL 32 1HG2 VAL 32 5.611 6.712 -3.896
232 HG23 VAL 32 2HG2 VAL 32 5.439 5.296 -2.831
233 H GLY 33 HN GLY 33 9.097 4.882 -1.543
234 HA2 GLY 33 HA1 GLY 33 11.690 4.942 -2.626
235 HA3 GLY 33 HA2 GLY 33 11.301 4.953 -0.912
236 H SER 34 HN SER 34 10.105 2.496 -0.594
237 HA SER 34 HA SER 34 12.241 0.795 -0.190
238 HB2 SER 34 HB1 SER 34 9.864 0.640 0.758
239 HB3 SER 34 HB2 SER 34 9.445 -0.211 -0.749
240 HG SER 34 HG SER 34 11.086 -1.742 -0.219
241 H ASN 35 HN ASN 35 10.295 1.256 -3.049
242 HA ASN 35 HA ASN 35 10.809 -1.050 -4.478
243 HB2 ASN 35 HB1 ASN 35 9.473 1.204 -5.031
244 HB3 ASN 35 HB2 ASN 35 10.953 1.530 -5.965
245 HD21 ASN 35 1HD2 ASN 35 11.681 -0.539 -7.219
246 HD22 ASN 35 2HD2 ASN 35 10.434 -1.297 -8.146
247 H THR 36 HN THR 36 13.016 1.320 -3.448
248 HA THR 36 HA THR 36 15.105 0.125 -5.144
249 HB THR 36 HB THR 36 15.836 2.802 -4.405
250 HG1 THR 36 HG1 THR 36 13.425 2.572 -5.914
251 HG21 THR 36 3HG2 THR 36 16.831 1.518 -6.238
252 HG22 THR 36 1HG2 THR 36 16.144 3.048 -6.833
253 HG23 THR 36 2HG2 THR 36 15.269 1.520 -7.091
254 H TYR 37 HN TYR 37 14.313 1.781 -2.128
255 HA TYR 37 HA TYR 37 16.845 0.835 -0.975
256 HB2 TYR 37 HB1 TYR 37 14.938 2.826 0.260
257 HB3 TYR 37 HB2 TYR 37 16.636 2.516 0.694
258 HD1 TYR 37 HD2 TYR 37 17.915 2.513 -1.973
259 HD2 TYR 37 HD1 TYR 37 14.916 5.079 -0.383
260 HE1 TYR 37 HE2 TYR 37 18.637 4.297 -3.505
261 HE2 TYR 37 HE1 TYR 37 15.629 6.870 -1.912
262 HH TYR 37 HH TYR 37 18.531 6.779 -3.621
263 HN1 NH2 38 HN1 NH2 37 15.328 -1.558 -1.242
264 HN2 NH2 38 HN2 NH2 37 14.455 -1.926 0.351
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 4.037 -11.411 3.040
2 H2 LYS 1 HT2 LYS 1 3.337 -10.027 2.237
3 H3 LYS 1 HT3 LYS 1 3.367 -11.579 1.436
4 HA LYS 1 HA LYS 1 1.908 -12.480 3.072
5 HB2 LYS 1 HB1 LYS 1 1.970 -9.677 4.215
6 HB3 LYS 1 HB2 LYS 1 0.800 -10.931 4.690
7 HG2 LYS 1 HG1 LYS 1 2.237 -11.591 6.248
8 HG3 LYS 1 HG2 LYS 1 3.329 -12.123 4.946
9 HD2 LYS 1 HD1 LYS 1 3.859 -9.461 4.979
10 HD3 LYS 1 HD2 LYS 1 3.455 -9.733 6.691
11 HE2 LYS 1 HE1 LYS 1 5.304 -10.989 7.069
12 HE3 LYS 1 HE2 LYS 1 5.252 -11.741 5.456
13 HZ1 LYS 1 HZ1 LYS 1 7.049 -9.898 6.217
14 HZ2 LYS 1 HZ2 LYS 1 5.896 -8.914 5.465
15 HZ3 LYS 1 HZ3 LYS 1 6.608 -10.189 4.609
16 H CYS 2 HN CYS 2 1.617 -9.120 1.923
17 HA CYS 2 HA CYS 2 -0.851 -9.919 0.524
18 HB2 CYS 2 HB1 CYS 2 -0.143 -7.197 1.650
19 HB3 CYS 2 HB2 CYS 2 -1.630 -7.600 0.757
20 H ASN 3 HN ASN 3 -0.645 -9.934 -1.606
21 HA ASN 3 HA ASN 3 0.987 -7.879 -2.906
22 HB2 ASN 3 HB1 ASN 3 1.651 -10.684 -2.736
23 HB3 ASN 3 HB2 ASN 3 1.368 -10.220 -4.431
24 HD21 ASN 3 1HD2 ASN 3 2.450 -8.090 -5.034
25 HD22 ASN 3 2HD2 ASN 3 4.078 -7.881 -4.496
26 H THR 4 HN THR 4 -0.694 -10.812 -4.020
27 HA THR 4 HA THR 4 -2.541 -9.092 -5.534
28 HB THR 4 HB THR 4 -0.783 -10.030 -7.034
29 HG1 THR 4 HG1 THR 4 -2.571 -9.670 -8.180
30 HG21 THR 4 3HG2 THR 4 -0.397 -12.152 -5.869
31 HG22 THR 4 1HG2 THR 4 -0.840 -12.430 -7.570
32 HG23 THR 4 2HG2 THR 4 -2.044 -12.682 -6.284
33 H ALA 5 HN ALA 5 -2.799 -10.567 -2.979
34 HA ALA 5 HA ALA 5 -4.779 -12.609 -3.693
35 HB1 ALA 5 HB1 ALA 5 -4.646 -13.306 -1.337
36 HB2 ALA 5 HB2 ALA 5 -3.478 -11.999 -1.032
37 HB3 ALA 5 HB3 ALA 5 -3.056 -13.331 -2.135
38 H THR 6 HN THR 6 -6.414 -12.629 -1.540
39 HA THR 6 HA THR 6 -8.320 -10.701 -2.102
40 HB THR 6 HB THR 6 -9.426 -11.340 -0.008
41 HG1 THR 6 HG1 THR 6 -8.384 -12.538 1.515
42 HG21 THR 6 3HG2 THR 6 -9.640 -12.824 -1.945
43 HG22 THR 6 1HG2 THR 6 -9.626 -13.754 -0.427
44 HG23 THR 6 2HG2 THR 6 -8.169 -13.692 -1.446
45 H CYS 7 HN CYS 7 -5.577 -10.547 0.033
46 HA CYS 7 HA CYS 7 -6.261 -8.519 1.766
47 HB2 CYS 7 HB1 CYS 7 -4.078 -9.892 1.559
48 HB3 CYS 7 HB2 CYS 7 -3.553 -8.596 0.457
49 H ALA 8 HN ALA 8 -5.476 -8.327 -1.629
50 HA ALA 8 HA ALA 8 -4.805 -5.718 -2.027
51 HB1 ALA 8 HB1 ALA 8 -5.904 -5.863 -4.225
52 HB2 ALA 8 HB2 ALA 8 -6.736 -7.344 -3.693
53 HB3 ALA 8 HB3 ALA 8 -4.963 -7.326 -3.846
54 H THR 9 HN THR 9 -8.038 -6.996 -1.403
55 HA THR 9 HA THR 9 -9.512 -4.666 -1.862
56 HB THR 9 HB THR 9 -10.407 -6.375 0.384
57 HG1 THR 9 HG1 THR 9 -10.301 -7.405 -2.270
58 HG21 THR 9 3HG2 THR 9 -11.874 -4.692 -0.625
59 HG22 THR 9 1HG2 THR 9 -12.514 -6.332 -0.884
60 HG23 THR 9 2HG2 THR 9 -11.690 -5.479 -2.211
61 H GLN 10 HN GLN 10 -8.000 -5.861 1.122
62 HA GLN 10 HA GLN 10 -8.887 -3.765 2.783
63 HB2 GLN 10 HB1 GLN 10 -7.272 -6.092 3.030
64 HB3 GLN 10 HB2 GLN 10 -6.338 -4.718 3.671
65 HG2 GLN 10 HG1 GLN 10 -8.067 -4.185 5.239
66 HG3 GLN 10 HG2 GLN 10 -9.171 -5.373 4.505
67 HE21 GLN 10 1HE2 GLN 10 -8.839 -7.563 4.889
68 HE22 GLN 10 2HE2 GLN 10 -7.830 -8.134 6.170
69 H ARG 11 HN ARG 11 -5.764 -4.262 1.141
70 HA ARG 11 HA ARG 11 -4.515 -1.919 1.952
71 HB2 ARG 11 HB1 ARG 11 -4.202 -3.826 -0.296
72 HB3 ARG 11 HB2 ARG 11 -3.473 -2.219 -0.525
73 HG2 ARG 11 HG1 ARG 11 -1.780 -2.691 0.848
74 HG3 ARG 11 HG2 ARG 11 -2.874 -3.330 2.099
75 HD2 ARG 11 HD1 ARG 11 -1.362 -5.080 1.375
76 HD3 ARG 11 HD2 ARG 11 -3.016 -5.462 0.839
77 HE ARG 11 HE ARG 11 -2.291 -5.334 -1.323
78 HH11 ARG 11 1HH1 ARG 11 0.039 -3.755 0.725
79 HH12 ARG 11 2HH1 ARG 11 1.194 -3.520 -0.546
80 HH21 ARG 11 1HH2 ARG 11 -0.779 -5.032 -3.005
81 HH22 ARG 11 2HH2 ARG 11 0.727 -4.247 -2.667
82 H LEU 12 HN LEU 12 -6.069 -2.440 -1.220
83 HA LEU 12 HA LEU 12 -5.995 0.123 -2.175
84 HB2 LEU 12 HB1 LEU 12 -7.171 -2.240 -2.951
85 HB3 LEU 12 HB2 LEU 12 -8.571 -1.172 -2.686
86 HG LEU 12 HG LEU 12 -7.668 0.422 -4.299
87 HD11 LEU 12 1HD1 LEU 12 -5.702 -0.127 -5.651
88 HD12 LEU 12 2HD1 LEU 12 -5.429 -1.578 -4.658
89 HD13 LEU 12 3HD1 LEU 12 -5.286 0.039 -3.929
90 HD21 LEU 12 3HD2 LEU 12 -7.749 -2.412 -5.357
91 HD22 LEU 12 1HD2 LEU 12 -7.937 -0.931 -6.325
92 HD23 LEU 12 2HD2 LEU 12 -9.152 -1.349 -5.095
93 H ALA 13 HN ALA 13 -8.738 -1.289 -0.382
94 HA ALA 13 HA ALA 13 -10.331 0.938 -0.166
95 HB1 ALA 13 HB1 ALA 13 -11.267 -0.074 1.872
96 HB2 ALA 13 HB2 ALA 13 -9.894 -1.206 1.924
97 HB3 ALA 13 HB3 ALA 13 -11.048 -1.268 0.571
98 H ASN 14 HN ASN 14 -7.491 0.098 1.739
99 HA ASN 14 HA ASN 14 -7.797 2.141 3.684
100 HB2 ASN 14 HB1 ASN 14 -6.170 -0.040 3.421
101 HB3 ASN 14 HB2 ASN 14 -5.040 1.289 3.065
102 HD21 ASN 14 1HD2 ASN 14 -7.477 0.240 5.418
103 HD22 ASN 14 2HD2 ASN 14 -6.708 0.943 6.795
104 H PHE 15 HN PHE 15 -6.148 1.962 0.576
105 HA PHE 15 HA PHE 15 -4.892 4.522 0.828
106 HB2 PHE 15 HB1 PHE 15 -3.728 3.154 -0.626
107 HB3 PHE 15 HB2 PHE 15 -5.214 2.498 -1.353
108 HD1 PHE 15 HD2 PHE 15 -3.261 5.672 -1.092
109 HD2 PHE 15 HD1 PHE 15 -5.894 3.272 -3.422
110 HE1 PHE 15 HE2 PHE 15 -3.041 7.252 -2.964
111 HE2 PHE 15 HE1 PHE 15 -5.677 4.849 -5.299
112 HZ PHE 15 HZ PHE 15 -4.249 6.844 -5.069
113 H LEU 16 HN LEU 16 -7.988 3.398 -0.168
114 HA LEU 16 HA LEU 16 -8.659 5.724 -1.728
115 HB2 LEU 16 HB1 LEU 16 -10.020 3.229 -0.866
116 HB3 LEU 16 HB2 LEU 16 -11.054 4.631 -1.236
117 HG LEU 16 HG LEU 16 -9.917 4.723 -3.490
118 HD11 LEU 16 1HD1 LEU 16 -8.804 2.687 -4.272
119 HD12 LEU 16 2HD1 LEU 16 -8.912 2.002 -2.633
120 HD13 LEU 16 3HD1 LEU 16 -7.915 3.446 -2.931
121 HD21 LEU 16 3HD2 LEU 16 -11.461 2.217 -2.787
122 HD22 LEU 16 1HD2 LEU 16 -11.257 2.894 -4.420
123 HD23 LEU 16 2HD2 LEU 16 -12.160 3.805 -3.187
124 H VAL 17 HN VAL 17 -9.348 4.527 1.528
125 HA VAL 17 HA VAL 17 -11.009 6.775 2.202
126 HB VAL 17 HB VAL 17 -11.460 4.683 3.301
127 HG11 VAL 17 1HG1 VAL 17 -9.857 3.637 4.845
128 HG12 VAL 17 2HG1 VAL 17 -8.642 4.856 4.392
129 HG13 VAL 17 3HG1 VAL 17 -9.233 3.696 3.179
130 HG21 VAL 17 3HG2 VAL 17 -10.257 6.673 5.240
131 HG22 VAL 17 1HG2 VAL 17 -11.407 5.381 5.660
132 HG23 VAL 17 2HG2 VAL 17 -11.912 6.708 4.586
133 H HIS 18 HN HIS 18 -7.641 5.921 2.513
134 HA HIS 18 HA HIS 18 -7.142 8.334 4.110
135 HB2 HIS 18 HB1 HIS 18 -5.373 5.949 3.523
136 HB3 HIS 18 HB2 HIS 18 -4.881 7.366 4.481
137 HD1 HIS 18 HD1 HIS 18 -6.034 7.648 6.827
138 HD2 HIS 18 HD2 HIS 18 -6.924 4.090 4.876
139 HE1 HIS 18 HE1 HIS 18 -7.056 6.158 8.578
140 H SER 19 HN SER 19 -7.690 9.402 1.936
141 HA SER 19 HA SER 19 -6.076 9.300 -0.300
142 HB2 SER 19 HB1 SER 19 -8.222 10.788 0.408
143 HB3 SER 19 HB2 SER 19 -6.940 12.016 0.541
144 HG SER 19 HG SER 19 -8.117 11.138 -1.660
145 H SER 20 HN SER 20 -5.442 10.742 2.804
146 HA SER 20 HA SER 20 -3.399 12.516 2.174
147 HB2 SER 20 HB1 SER 20 -2.886 11.018 4.638
148 HB3 SER 20 HB2 SER 20 -3.221 12.751 4.406
149 HG SER 20 HG SER 20 -4.832 11.302 5.576
150 H ASN 21 HN ASN 21 -3.347 9.026 2.492
151 HA ASN 21 HA ASN 21 -0.651 8.510 2.719
152 HB2 ASN 21 HB1 ASN 21 -2.914 7.064 1.381
153 HB3 ASN 21 HB2 ASN 21 -1.252 6.454 1.194
154 HD21 ASN 21 1HD2 ASN 21 -0.135 6.848 3.590
155 HD22 ASN 21 2HD2 ASN 21 -0.963 5.963 4.821
156 H ASN 22 HN ASN 22 -2.440 9.624 -0.061
157 HA ASN 22 HA ASN 22 -0.632 9.021 -2.098
158 HB2 ASN 22 HB1 ASN 22 -2.750 9.777 -2.784
159 HB3 ASN 22 HB2 ASN 22 -2.667 11.217 -1.740
160 HD21 ASN 22 1HD2 ASN 22 -1.363 12.962 -2.381
161 HD22 ASN 22 2HD2 ASN 22 -0.882 13.177 -4.026
162 H PHE 23 HN PHE 23 -0.772 11.788 0.099
163 HA PHE 23 HA PHE 23 1.579 12.988 -1.107
164 HB2 PHE 23 HB1 PHE 23 -0.615 13.989 0.268
165 HB3 PHE 23 HB2 PHE 23 0.719 14.128 1.438
166 HD1 PHE 23 HD1 PHE 23 3.005 14.733 -0.257
167 HD2 PHE 23 HD2 PHE 23 -1.007 16.130 -0.522
168 HE1 PHE 23 HE1 PHE 23 3.792 16.768 -1.394
169 HE2 PHE 23 HE2 PHE 23 -0.226 18.167 -1.660
170 HZ PHE 23 HZ PHE 23 2.175 18.488 -2.098
171 H GLY 24 HN GLY 24 0.660 11.628 2.053
172 HA2 GLY 24 HA1 GLY 24 3.129 11.907 3.323
173 HA3 GLY 24 HA2 GLY 24 1.927 10.686 3.718
174 H ALA 25 HN ALA 25 2.127 9.648 0.893
175 HA ALA 25 HA ALA 25 3.852 7.522 1.342
176 HB1 ALA 25 HB1 ALA 25 3.662 7.053 -1.067
177 HB2 ALA 25 HB2 ALA 25 2.943 8.662 -1.309
178 HB3 ALA 25 HB3 ALA 25 2.089 7.444 -0.333
179 H ILE 26 HN ILE 26 4.515 10.710 0.124
180 HA ILE 26 HA ILE 26 7.119 10.032 -0.915
181 HB ILE 26 HB ILE 26 5.876 12.736 -0.401
182 HG12 ILE 26 1HG1 ILE 26 6.057 12.452 -3.108
183 HG13 ILE 26 2HG1 ILE 26 5.717 10.779 -2.606
184 HG21 ILE 26 1HG2 ILE 26 7.638 13.607 -1.881
185 HG22 ILE 26 2HG2 ILE 26 8.358 11.981 -1.958
186 HG23 ILE 26 3HG2 ILE 26 8.309 12.860 -0.411
187 HD11 ILE 26 3HD1 ILE 26 3.708 11.542 -1.424
188 HD12 ILE 26 1HD1 ILE 26 3.658 11.981 -3.148
189 HD13 ILE 26 2HD1 ILE 26 4.048 13.215 -1.927
190 H LEU 27 HN LEU 27 5.780 11.095 2.094
191 HA LEU 27 HA LEU 27 8.283 12.028 3.178
192 HB2 LEU 27 HB1 LEU 27 5.508 12.109 3.906
193 HB3 LEU 27 HB2 LEU 27 6.464 11.474 5.267
194 HG LEU 27 HG LEU 27 7.286 14.015 3.898
195 HD11 LEU 27 1HD1 LEU 27 5.942 15.284 5.504
196 HD12 LEU 27 2HD1 LEU 27 5.214 13.768 6.086
197 HD13 LEU 27 3HD1 LEU 27 4.920 14.313 4.417
198 HD21 LEU 27 3HD2 LEU 27 7.562 12.963 6.721
199 HD22 LEU 27 1HD2 LEU 27 8.202 14.509 6.117
200 HD23 LEU 27 2HD2 LEU 27 8.832 12.974 5.475
201 H SER 28 HN SER 28 6.270 9.137 3.440
202 HA SER 28 HA SER 28 8.126 7.886 5.288
203 HB2 SER 28 HB1 SER 28 5.373 7.526 4.566
204 HB3 SER 28 HB2 SER 28 6.239 5.993 4.304
205 HG SER 28 HG SER 28 6.596 5.824 6.403
206 H SER 29 HN SER 29 7.127 7.581 1.919
207 HA SER 29 HA SER 29 8.087 6.559 0.128
208 HB2 SER 29 HB1 SER 29 10.615 6.083 1.679
209 HB3 SER 29 HB2 SER 29 10.408 6.539 -0.030
210 HG SER 29 HG SER 29 10.854 8.136 2.041
211 H THR 30 HN THR 30 6.608 4.998 1.993
212 HA THR 30 HA THR 30 8.015 2.475 2.271
213 HB THR 30 HB THR 30 6.490 3.232 4.060
214 HG1 THR 30 HG1 THR 30 6.714 1.052 4.043
215 HG21 THR 30 3HG2 THR 30 4.812 4.363 2.677
216 HG22 THR 30 1HG2 THR 30 4.057 3.132 3.717
217 HG23 THR 30 2HG2 THR 30 4.321 2.797 1.989
218 H ASN 31 HN ASN 31 5.686 3.967 0.163
219 HA ASN 31 HA ASN 31 5.219 1.408 -1.201
220 HB2 ASN 31 HB1 ASN 31 3.697 3.980 -1.019
221 HB3 ASN 31 HB2 ASN 31 3.505 2.973 -2.473
222 HD21 ASN 31 1HD2 ASN 31 2.596 3.452 0.756
223 HD22 ASN 31 2HD2 ASN 31 1.664 2.012 0.965
224 H VAL 32 HN VAL 32 6.609 4.578 -1.578
225 HA VAL 32 HA VAL 32 7.146 4.099 -4.415
226 HB VAL 32 HB VAL 32 7.752 6.565 -2.780
227 HG11 VAL 32 1HG1 VAL 32 7.972 7.666 -4.966
228 HG12 VAL 32 2HG1 VAL 32 7.703 6.102 -5.770
229 HG13 VAL 32 3HG1 VAL 32 9.151 6.349 -4.765
230 HG21 VAL 32 3HG2 VAL 32 5.411 5.981 -4.608
231 HG22 VAL 32 1HG2 VAL 32 5.770 7.551 -3.851
232 HG23 VAL 32 2HG2 VAL 32 5.347 6.151 -2.837
233 H GLY 33 HN GLY 33 8.917 5.030 -1.461
234 HA2 GLY 33 HA1 GLY 33 11.489 4.725 -2.614
235 HA3 GLY 33 HA2 GLY 33 11.133 4.803 -0.895
236 H SER 34 HN SER 34 9.669 2.618 -0.390
237 HA SER 34 HA SER 34 11.516 0.574 -0.166
238 HB2 SER 34 HB1 SER 34 9.243 0.899 1.030
239 HB3 SER 34 HB2 SER 34 8.558 0.010 -0.352
240 HG SER 34 HG SER 34 9.078 -1.461 1.260
241 H ASN 35 HN ASN 35 9.336 1.315 -2.787
242 HA ASN 35 HA ASN 35 9.251 -1.074 -4.167
243 HB2 ASN 35 HB1 ASN 35 8.276 1.373 -4.653
244 HB3 ASN 35 HB2 ASN 35 9.658 1.403 -5.774
245 HD21 ASN 35 1HD2 ASN 35 9.610 0.161 -7.590
246 HD22 ASN 35 2HD2 ASN 35 8.231 -0.747 -8.099
247 H THR 36 HN THR 36 11.955 0.881 -3.514
248 HA THR 36 HA THR 36 13.568 -0.696 -5.406
249 HB THR 36 HB THR 36 15.091 1.510 -5.206
250 HG1 THR 36 HG1 THR 36 13.529 3.298 -5.485
251 HG21 THR 36 3HG2 THR 36 14.410 0.420 -7.293
252 HG22 THR 36 1HG2 THR 36 14.214 2.185 -7.403
253 HG23 THR 36 2HG2 THR 36 12.792 1.147 -7.146
254 H TYR 37 HN TYR 37 13.517 1.159 -2.392
255 HA TYR 37 HA TYR 37 15.832 -0.418 -1.470
256 HB2 TYR 37 HB1 TYR 37 14.953 2.395 -0.832
257 HB3 TYR 37 HB2 TYR 37 16.066 1.498 0.229
258 HD1 TYR 37 HD1 TYR 37 15.647 2.804 -3.230
259 HD2 TYR 37 HD2 TYR 37 18.362 1.333 -0.303
260 HE1 TYR 37 HE1 TYR 37 17.538 3.477 -4.654
261 HE2 TYR 37 HE2 TYR 37 20.259 2.003 -1.717
262 HH TYR 37 HH TYR 37 20.034 4.101 -4.224
263 HN1 NH2 38 HN1 NH2 37 12.528 -0.983 -1.392
264 HN2 NH2 38 HN2 NH2 37 12.284 -1.318 0.414
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 1.550 -4.591 6.001
2 H2 LYS 1 HT2 LYS 1 1.182 -6.263 6.346
3 H3 LYS 1 HT3 LYS 1 -0.009 -5.249 5.568
4 HA LYS 1 HA LYS 1 1.385 -5.027 3.665
5 HB2 LYS 1 HB1 LYS 1 3.279 -6.560 5.405
6 HB3 LYS 1 HB2 LYS 1 3.342 -6.799 3.642
7 HG2 LYS 1 HG1 LYS 1 3.255 -3.982 4.320
8 HG3 LYS 1 HG2 LYS 1 4.610 -4.803 5.130
9 HD2 LYS 1 HD1 LYS 1 4.181 -5.488 2.273
10 HD3 LYS 1 HD2 LYS 1 4.733 -3.830 2.609
11 HE2 LYS 1 HE1 LYS 1 6.787 -4.763 2.580
12 HE3 LYS 1 HE2 LYS 1 6.378 -5.259 4.240
13 HZ1 LYS 1 HZ1 LYS 1 5.909 -6.922 1.818
14 HZ2 LYS 1 HZ2 LYS 1 5.674 -7.390 3.425
15 HZ3 LYS 1 HZ3 LYS 1 7.237 -7.087 2.853
16 H CYS 2 HN CYS 2 1.101 -6.466 1.934
17 HA CYS 2 HA CYS 2 0.352 -9.207 2.411
18 HB2 CYS 2 HB1 CYS 2 -1.669 -7.089 2.009
19 HB3 CYS 2 HB2 CYS 2 -1.865 -8.538 0.994
20 H ASN 3 HN ASN 3 -0.468 -10.198 0.256
21 HA ASN 3 HA ASN 3 1.005 -8.965 -1.979
22 HB2 ASN 3 HB1 ASN 3 1.812 -11.232 -0.717
23 HB3 ASN 3 HB2 ASN 3 0.755 -11.914 -1.977
24 HD21 ASN 3 1HD2 ASN 3 1.610 -12.228 -3.907
25 HD22 ASN 3 2HD2 ASN 3 3.083 -11.540 -4.493
26 H THR 4 HN THR 4 0.340 -10.641 -4.001
27 HA THR 4 HA THR 4 -2.164 -9.759 -4.814
28 HB THR 4 HB THR 4 -0.883 -12.305 -5.808
29 HG1 THR 4 HG1 THR 4 0.192 -10.835 -7.302
30 HG21 THR 4 3HG2 THR 4 -3.134 -11.845 -6.662
31 HG22 THR 4 1HG2 THR 4 -1.915 -11.658 -7.945
32 HG23 THR 4 2HG2 THR 4 -2.613 -10.219 -7.164
33 H ALA 5 HN ALA 5 -3.904 -10.139 -3.544
34 HA ALA 5 HA ALA 5 -5.208 -12.618 -3.657
35 HB1 ALA 5 HB1 ALA 5 -5.102 -13.319 -1.302
36 HB2 ALA 5 HB2 ALA 5 -3.908 -12.038 -0.988
37 HB3 ALA 5 HB3 ALA 5 -3.508 -13.377 -2.089
38 H THR 6 HN THR 6 -6.838 -12.598 -1.491
39 HA THR 6 HA THR 6 -8.710 -10.638 -2.065
40 HB THR 6 HB THR 6 -8.517 -11.849 0.682
41 HG1 THR 6 HG1 THR 6 -9.358 -13.122 -1.727
42 HG21 THR 6 3HG2 THR 6 -10.331 -10.255 0.265
43 HG22 THR 6 1HG2 THR 6 -10.969 -11.901 0.487
44 HG23 THR 6 2HG2 THR 6 -10.847 -11.208 -1.147
45 H CYS 7 HN CYS 7 -5.955 -10.522 0.053
46 HA CYS 7 HA CYS 7 -6.595 -8.484 1.791
47 HB2 CYS 7 HB1 CYS 7 -4.278 -9.854 1.036
48 HB3 CYS 7 HB2 CYS 7 -3.907 -8.135 0.760
49 H ALA 8 HN ALA 8 -5.838 -8.304 -1.610
50 HA ALA 8 HA ALA 8 -5.132 -5.706 -2.017
51 HB1 ALA 8 HB1 ALA 8 -6.253 -5.836 -4.204
52 HB2 ALA 8 HB2 ALA 8 -7.104 -7.304 -3.665
53 HB3 ALA 8 HB3 ALA 8 -5.332 -7.313 -3.834
54 H THR 9 HN THR 9 -8.379 -6.935 -1.360
55 HA THR 9 HA THR 9 -9.821 -4.585 -1.809
56 HB THR 9 HB THR 9 -10.723 -6.279 0.448
57 HG1 THR 9 HG1 THR 9 -10.480 -7.284 -2.212
58 HG21 THR 9 3HG2 THR 9 -12.174 -4.575 -0.550
59 HG22 THR 9 1HG2 THR 9 -12.840 -6.207 -0.803
60 HG23 THR 9 2HG2 THR 9 -12.015 -5.366 -2.137
61 H GLN 10 HN GLN 10 -8.300 -5.800 1.162
62 HA GLN 10 HA GLN 10 -9.141 -3.691 2.831
63 HB2 GLN 10 HB1 GLN 10 -8.237 -5.918 3.576
64 HB3 GLN 10 HB2 GLN 10 -6.616 -5.330 3.132
65 HG2 GLN 10 HG1 GLN 10 -6.436 -4.047 4.969
66 HG3 GLN 10 HG2 GLN 10 -8.141 -3.541 4.909
67 HE21 GLN 10 1HE2 GLN 10 -9.734 -5.116 5.653
68 HE22 GLN 10 2HE2 GLN 10 -9.312 -6.191 6.938
69 H ARG 11 HN ARG 11 -6.041 -4.234 1.160
70 HA ARG 11 HA ARG 11 -4.749 -1.910 1.958
71 HB2 ARG 11 HB1 ARG 11 -4.486 -3.824 -0.289
72 HB3 ARG 11 HB2 ARG 11 -3.739 -2.227 -0.532
73 HG2 ARG 11 HG1 ARG 11 -2.010 -2.777 0.752
74 HG3 ARG 11 HG2 ARG 11 -3.088 -3.247 2.088
75 HD2 ARG 11 HD1 ARG 11 -1.605 -5.092 1.301
76 HD3 ARG 11 HD2 ARG 11 -3.342 -5.468 1.183
77 HE ARG 11 HE ARG 11 -3.128 -5.567 -1.099
78 HH11 ARG 11 1HH1 ARG 11 -0.284 -4.080 0.250
79 HH12 ARG 11 2HH1 ARG 11 0.595 -4.103 -1.243
80 HH21 ARG 11 1HH2 ARG 11 -1.981 -5.603 -3.070
81 HH22 ARG 11 2HH2 ARG 11 -0.371 -4.968 -3.130
82 H LEU 12 HN LEU 12 -6.341 -2.407 -1.199
83 HA LEU 12 HA LEU 12 -6.238 0.152 -2.156
84 HB2 LEU 12 HB1 LEU 12 -7.459 -2.192 -2.919
85 HB3 LEU 12 HB2 LEU 12 -8.838 -1.101 -2.642
86 HG LEU 12 HG LEU 12 -7.927 0.477 -4.263
87 HD11 LEU 12 1HD1 LEU 12 -5.984 -0.102 -5.636
88 HD12 LEU 12 2HD1 LEU 12 -5.721 -1.556 -4.644
89 HD13 LEU 12 3HD1 LEU 12 -5.549 0.060 -3.918
90 HD21 LEU 12 3HD2 LEU 12 -8.060 -2.356 -5.319
91 HD22 LEU 12 1HD2 LEU 12 -8.234 -0.873 -6.287
92 HD23 LEU 12 2HD2 LEU 12 -9.444 -1.271 -5.044
93 H ALA 13 HN ALA 13 -8.985 -1.219 -0.336
94 HA ALA 13 HA ALA 13 -10.543 1.032 -0.106
95 HB1 ALA 13 HB1 ALA 13 -11.473 0.033 1.943
96 HB2 ALA 13 HB2 ALA 13 -10.116 -1.119 1.980
97 HB3 ALA 13 HB3 ALA 13 -11.285 -1.163 0.638
98 H ASN 14 HN ASN 14 -7.698 0.151 1.773
99 HA ASN 14 HA ASN 14 -7.956 2.200 3.719
100 HB2 ASN 14 HB1 ASN 14 -6.171 0.047 3.167
101 HB3 ASN 14 HB2 ASN 14 -5.202 1.531 3.328
102 HD21 ASN 14 1HD2 ASN 14 -7.885 -0.180 4.915
103 HD22 ASN 14 2HD2 ASN 14 -7.388 0.183 6.530
104 H PHE 15 HN PHE 15 -6.339 1.995 0.595
105 HA PHE 15 HA PHE 15 -5.043 4.538 0.835
106 HB2 PHE 15 HB1 PHE 15 -3.913 3.154 -0.630
107 HB3 PHE 15 HB2 PHE 15 -5.414 2.517 -1.342
108 HD1 PHE 15 HD2 PHE 15 -3.415 5.662 -1.101
109 HD2 PHE 15 HD1 PHE 15 -6.105 3.301 -3.405
110 HE1 PHE 15 HE2 PHE 15 -3.189 7.240 -2.976
111 HE2 PHE 15 HE1 PHE 15 -5.883 4.876 -5.284
112 HZ PHE 15 HZ PHE 15 -4.424 6.848 -5.071
113 H LEU 16 HN LEU 16 -8.165 3.457 -0.132
114 HA LEU 16 HA LEU 16 -8.817 5.792 -1.686
115 HB2 LEU 16 HB1 LEU 16 -10.207 3.319 -0.809
116 HB3 LEU 16 HB2 LEU 16 -11.223 4.735 -1.170
117 HG LEU 16 HG LEU 16 -10.063 4.803 -3.431
118 HD11 LEU 16 1HD1 LEU 16 -9.064 2.710 -4.216
119 HD12 LEU 16 2HD1 LEU 16 -9.208 2.031 -2.577
120 HD13 LEU 16 3HD1 LEU 16 -8.134 3.420 -2.874
121 HD21 LEU 16 3HD2 LEU 16 -11.744 2.386 -2.731
122 HD22 LEU 16 1HD2 LEU 16 -11.502 3.051 -4.363
123 HD23 LEU 16 2HD2 LEU 16 -12.354 4.010 -3.130
124 H VAL 17 HN VAL 17 -9.491 4.607 1.578
125 HA VAL 17 HA VAL 17 -11.112 6.881 2.268
126 HB VAL 17 HB VAL 17 -11.584 4.794 3.371
127 HG11 VAL 17 1HG1 VAL 17 -9.980 3.726 4.899
128 HG12 VAL 17 2HG1 VAL 17 -8.753 4.928 4.435
129 HG13 VAL 17 3HG1 VAL 17 -9.372 3.776 3.227
130 HG21 VAL 17 3HG2 VAL 17 -10.331 6.765 5.298
131 HG22 VAL 17 1HG2 VAL 17 -11.497 5.492 5.729
132 HG23 VAL 17 2HG2 VAL 17 -11.992 6.827 4.661
133 H HIS 18 HN HIS 18 -7.755 5.976 2.545
134 HA HIS 18 HA HIS 18 -7.204 8.382 4.136
135 HB2 HIS 18 HB1 HIS 18 -5.476 5.971 3.533
136 HB3 HIS 18 HB2 HIS 18 -4.956 7.382 4.486
137 HD1 HIS 18 HD1 HIS 18 -6.081 7.680 6.843
138 HD2 HIS 18 HD2 HIS 18 -7.041 4.134 4.900
139 HE1 HIS 18 HE1 HIS 18 -7.107 6.206 8.603
140 H SER 19 HN SER 19 -7.758 9.457 1.966
141 HA SER 19 HA SER 19 -6.168 9.331 -0.283
142 HB2 SER 19 HB1 SER 19 -8.270 10.888 0.507
143 HB3 SER 19 HB2 SER 19 -6.942 12.073 0.505
144 HG SER 19 HG SER 19 -8.154 10.756 -1.609
145 H SER 20 HN SER 20 -5.481 10.764 2.813
146 HA SER 20 HA SER 20 -3.419 12.507 2.163
147 HB2 SER 20 HB1 SER 20 -4.387 11.152 4.564
148 HB3 SER 20 HB2 SER 20 -2.622 11.387 4.582
149 HG SER 20 HG SER 20 -4.675 13.327 4.404
150 H ASN 21 HN ASN 21 -3.416 9.017 2.482
151 HA ASN 21 HA ASN 21 -0.726 8.461 2.684
152 HB2 ASN 21 HB1 ASN 21 -3.020 7.047 1.364
153 HB3 ASN 21 HB2 ASN 21 -1.368 6.413 1.166
154 HD21 ASN 21 1HD2 ASN 21 -0.225 6.792 3.550
155 HD22 ASN 21 2HD2 ASN 21 -1.056 5.919 4.789
156 H ASN 22 HN ASN 22 -2.525 9.600 -0.080
157 HA ASN 22 HA ASN 22 -0.744 8.973 -2.134
158 HB2 ASN 22 HB1 ASN 22 -2.857 9.759 -2.801
159 HB3 ASN 22 HB2 ASN 22 -2.744 11.197 -1.758
160 HD21 ASN 22 1HD2 ASN 22 -1.420 12.922 -2.410
161 HD22 ASN 22 2HD2 ASN 22 -0.952 13.131 -4.060
162 H PHE 23 HN PHE 23 -0.825 11.741 0.063
163 HA PHE 23 HA PHE 23 1.534 12.906 -1.165
164 HB2 PHE 23 HB1 PHE 23 -0.197 14.424 -0.427
165 HB3 PHE 23 HB2 PHE 23 -0.136 13.743 1.217
166 HD1 PHE 23 HD2 PHE 23 2.593 14.805 -1.100
167 HD2 PHE 23 HD1 PHE 23 0.609 15.430 2.613
168 HE1 PHE 23 HE2 PHE 23 4.291 16.473 -0.478
169 HE2 PHE 23 HE1 PHE 23 2.303 17.100 3.241
170 HZ PHE 23 HZ PHE 23 4.148 17.623 1.696
171 H GLY 24 HN GLY 24 0.624 11.561 2.004
172 HA2 GLY 24 HA1 GLY 24 3.109 11.803 3.251
173 HA3 GLY 24 HA2 GLY 24 1.893 10.601 3.657
174 H ALA 25 HN ALA 25 2.051 9.558 0.832
175 HA ALA 25 HA ALA 25 3.750 7.408 1.264
176 HB1 ALA 25 HB1 ALA 25 3.531 6.941 -1.141
177 HB2 ALA 25 HB2 ALA 25 2.832 8.560 -1.378
178 HB3 ALA 25 HB3 ALA 25 1.970 7.354 -0.394
179 H ILE 26 HN ILE 26 4.448 10.585 0.040
180 HA ILE 26 HA ILE 26 7.033 9.870 -1.023
181 HB ILE 26 HB ILE 26 5.834 12.593 -0.498
182 HG12 ILE 26 1HG1 ILE 26 5.988 12.301 -3.206
183 HG13 ILE 26 2HG1 ILE 26 5.621 10.635 -2.697
184 HG21 ILE 26 1HG2 ILE 26 7.593 13.436 -1.996
185 HG22 ILE 26 2HG2 ILE 26 8.287 11.799 -2.079
186 HG23 ILE 26 3HG2 ILE 26 8.267 12.680 -0.533
187 HD11 ILE 26 3HD1 ILE 26 3.636 11.438 -1.501
188 HD12 ILE 26 1HD1 ILE 26 3.580 11.874 -3.225
189 HD13 ILE 26 2HD1 ILE 26 4.002 13.104 -2.010
190 H LEU 27 HN LEU 27 5.735 10.956 1.998
191 HA LEU 27 HA LEU 27 8.259 11.855 3.060
192 HB2 LEU 27 HB1 LEU 27 5.503 12.003 3.795
193 HB3 LEU 27 HB2 LEU 27 6.416 11.290 5.147
194 HG LEU 27 HG LEU 27 7.470 13.788 3.906
195 HD11 LEU 27 1HD1 LEU 27 6.025 15.168 5.323
196 HD12 LEU 27 2HD1 LEU 27 5.116 13.716 5.803
197 HD13 LEU 27 3HD1 LEU 27 5.086 14.266 4.111
198 HD21 LEU 27 3HD2 LEU 27 7.294 12.746 6.741
199 HD22 LEU 27 1HD2 LEU 27 8.122 14.234 6.226
200 HD23 LEU 27 2HD2 LEU 27 8.714 12.649 5.673
201 H SER 28 HN SER 28 6.219 8.984 3.342
202 HA SER 28 HA SER 28 8.084 7.712 5.163
203 HB2 SER 28 HB1 SER 28 5.517 6.724 3.885
204 HB3 SER 28 HB2 SER 28 6.486 5.791 5.051
205 HG SER 28 HG SER 28 4.818 6.907 6.115
206 H SER 29 HN SER 29 7.028 7.410 1.811
207 HA SER 29 HA SER 29 7.888 6.295 0.020
208 HB2 SER 29 HB1 SER 29 10.161 6.495 -0.313
209 HB3 SER 29 HB2 SER 29 9.930 7.665 1.009
210 HG SER 29 HG SER 29 10.913 6.336 2.375
211 H THR 30 HN THR 30 6.810 4.787 2.331
212 HA THR 30 HA THR 30 8.335 2.408 2.662
213 HB THR 30 HB THR 30 6.630 3.148 4.300
214 HG1 THR 30 HG1 THR 30 6.695 1.096 4.784
215 HG21 THR 30 3HG2 THR 30 4.926 3.949 2.732
216 HG22 THR 30 1HG2 THR 30 4.249 2.732 3.839
217 HG23 THR 30 2HG2 THR 30 4.658 2.283 2.166
218 H ASN 31 HN ASN 31 5.982 3.483 0.335
219 HA ASN 31 HA ASN 31 5.989 0.811 -0.902
220 HB2 ASN 31 HB1 ASN 31 3.860 1.211 -1.782
221 HB3 ASN 31 HB2 ASN 31 3.780 1.941 -0.160
222 HD21 ASN 31 1HD2 ASN 31 2.900 2.410 -3.243
223 HD22 ASN 31 2HD2 ASN 31 2.867 4.135 -3.304
224 H VAL 32 HN VAL 32 6.644 4.199 -1.378
225 HA VAL 32 HA VAL 32 7.176 3.847 -4.219
226 HB VAL 32 HB VAL 32 7.607 6.322 -2.546
227 HG11 VAL 32 1HG1 VAL 32 7.468 7.491 -4.706
228 HG12 VAL 32 2HG1 VAL 32 7.302 5.922 -5.530
229 HG13 VAL 32 3HG1 VAL 32 8.808 6.321 -4.670
230 HG21 VAL 32 3HG2 VAL 32 5.175 5.501 -4.146
231 HG22 VAL 32 1HG2 VAL 32 5.423 7.086 -3.375
232 HG23 VAL 32 2HG2 VAL 32 5.278 5.622 -2.373
233 H GLY 33 HN GLY 33 8.974 4.836 -1.304
234 HA2 GLY 33 HA1 GLY 33 11.500 4.889 -2.620
235 HA3 GLY 33 HA2 GLY 33 11.236 4.910 -0.883
236 H SER 34 HN SER 34 10.011 2.542 -0.395
237 HA SER 34 HA SER 34 12.102 0.730 -0.260
238 HB2 SER 34 HB1 SER 34 9.936 0.716 1.074
239 HB3 SER 34 HB2 SER 34 9.184 -0.069 -0.335
240 HG SER 34 HG SER 34 9.946 -1.853 0.470
241 H ASN 35 HN ASN 35 9.826 1.308 -2.821
242 HA ASN 35 HA ASN 35 9.917 -1.053 -4.249
243 HB2 ASN 35 HB1 ASN 35 8.635 1.174 -4.702
244 HB3 ASN 35 HB2 ASN 35 10.068 1.591 -5.673
245 HD21 ASN 35 1HD2 ASN 35 7.424 1.254 -6.658
246 HD22 ASN 35 2HD2 ASN 35 7.440 -0.076 -7.762
247 H THR 36 HN THR 36 12.461 1.102 -3.585
248 HA THR 36 HA THR 36 14.202 -0.378 -5.429
249 HB THR 36 HB THR 36 15.306 2.203 -5.241
250 HG1 THR 36 HG1 THR 36 12.588 2.328 -6.086
251 HG21 THR 36 3HG2 THR 36 15.538 0.666 -7.133
252 HG22 THR 36 1HG2 THR 36 14.933 2.251 -7.670
253 HG23 THR 36 2HG2 THR 36 13.813 0.876 -7.519
254 H TYR 37 HN TYR 37 14.061 1.854 -2.669
255 HA TYR 37 HA TYR 37 16.641 0.858 -1.724
256 HB2 TYR 37 HB1 TYR 37 14.883 3.164 -0.881
257 HB3 TYR 37 HB2 TYR 37 16.313 2.656 0.049
258 HD1 TYR 37 HD2 TYR 37 15.304 3.693 -3.402
259 HD2 TYR 37 HD1 TYR 37 18.387 3.570 -0.473
260 HE1 TYR 37 HE2 TYR 37 16.734 5.065 -4.860
261 HE2 TYR 37 HE1 TYR 37 19.826 4.944 -1.922
262 HH TYR 37 HH TYR 37 20.058 5.495 -4.294
263 HN1 NH2 38 HN1 NH2 37 15.561 1.839 1.330
264 HN2 NH2 38 HN2 NH2 37 14.718 0.286 1.889
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 -8.313 -9.661 8.921
2 H2 LYS 1 HT2 LYS 1 -9.196 -9.662 7.413
3 H3 LYS 1 HT3 LYS 1 -7.552 -9.072 7.462
4 HA LYS 1 HA LYS 1 -6.767 -11.236 8.025
5 HB2 LYS 1 HB1 LYS 1 -9.186 -11.736 9.040
6 HB3 LYS 1 HB2 LYS 1 -9.415 -12.466 7.433
7 HG2 LYS 1 HG1 LYS 1 -6.889 -13.285 8.576
8 HG3 LYS 1 HG2 LYS 1 -8.231 -13.630 9.694
9 HD2 LYS 1 HD1 LYS 1 -9.433 -14.646 7.671
10 HD3 LYS 1 HD2 LYS 1 -7.857 -14.580 6.847
11 HE2 LYS 1 HE1 LYS 1 -6.994 -16.278 8.073
12 HE3 LYS 1 HE2 LYS 1 -7.831 -15.769 9.559
13 HZ1 LYS 1 HZ1 LYS 1 -9.771 -16.866 8.915
14 HZ2 LYS 1 HZ2 LYS 1 -8.541 -17.949 8.497
15 HZ3 LYS 1 HZ3 LYS 1 -9.289 -17.016 7.300
16 H CYS 2 HN CYS 2 -5.955 -12.440 6.343
17 HA CYS 2 HA CYS 2 -7.265 -12.771 3.848
18 HB2 CYS 2 HB1 CYS 2 -5.803 -11.355 2.466
19 HB3 CYS 2 HB2 CYS 2 -6.795 -10.398 3.594
20 H ASN 3 HN ASN 3 -5.354 -13.264 2.108
21 HA ASN 3 HA ASN 3 -3.393 -14.974 3.486
22 HB2 ASN 3 HB1 ASN 3 -5.476 -15.704 1.549
23 HB3 ASN 3 HB2 ASN 3 -3.853 -16.285 1.105
24 HD21 ASN 3 1HD2 ASN 3 -4.801 -18.403 1.437
25 HD22 ASN 3 2HD2 ASN 3 -4.870 -19.062 3.032
26 H THR 4 HN THR 4 -4.143 -14.043 0.126
27 HA THR 4 HA THR 4 -1.836 -12.426 -0.186
28 HB THR 4 HB THR 4 -0.697 -14.617 -0.099
29 HG1 THR 4 HG1 THR 4 0.352 -14.347 -2.211
30 HG21 THR 4 3HG2 THR 4 -2.499 -16.016 -0.991
31 HG22 THR 4 1HG2 THR 4 -1.005 -16.226 -1.934
32 HG23 THR 4 2HG2 THR 4 -2.330 -15.228 -2.577
33 H ALA 5 HN ALA 5 -4.612 -12.259 -0.781
34 HA ALA 5 HA ALA 5 -4.459 -11.334 -3.476
35 HB1 ALA 5 HB1 ALA 5 -6.220 -12.772 -4.422
36 HB2 ALA 5 HB2 ALA 5 -6.211 -13.738 -2.928
37 HB3 ALA 5 HB3 ALA 5 -4.768 -13.696 -3.969
38 H THR 6 HN THR 6 -7.066 -12.600 -1.394
39 HA THR 6 HA THR 6 -8.937 -10.635 -1.923
40 HB THR 6 HB THR 6 -9.471 -12.697 -0.696
41 HG1 THR 6 HG1 THR 6 -10.850 -11.657 0.870
42 HG21 THR 6 3HG2 THR 6 -7.488 -12.810 0.740
43 HG22 THR 6 1HG2 THR 6 -8.980 -12.871 1.709
44 HG23 THR 6 2HG2 THR 6 -8.039 -11.363 1.618
45 H CYS 7 HN CYS 7 -6.168 -10.535 0.190
46 HA CYS 7 HA CYS 7 -6.790 -8.473 1.906
47 HB2 CYS 7 HB1 CYS 7 -4.512 -9.901 1.247
48 HB3 CYS 7 HB2 CYS 7 -4.087 -8.224 0.826
49 H ALA 8 HN ALA 8 -6.015 -8.332 -1.494
50 HA ALA 8 HA ALA 8 -5.276 -5.747 -1.922
51 HB1 ALA 8 HB1 ALA 8 -6.388 -5.884 -4.111
52 HB2 ALA 8 HB2 ALA 8 -7.258 -7.336 -3.563
53 HB3 ALA 8 HB3 ALA 8 -5.486 -7.368 -3.723
54 H THR 9 HN THR 9 -8.541 -6.932 -1.270
55 HA THR 9 HA THR 9 -9.953 -4.568 -1.745
56 HB THR 9 HB THR 9 -10.884 -6.230 0.522
57 HG1 THR 9 HG1 THR 9 -10.840 -7.292 -2.120
58 HG21 THR 9 3HG2 THR 9 -12.310 -4.519 -0.497
59 HG22 THR 9 1HG2 THR 9 -12.994 -6.143 -0.740
60 HG23 THR 9 2HG2 THR 9 -12.153 -5.324 -2.077
61 H GLN 10 HN GLN 10 -8.460 -5.774 1.244
62 HA GLN 10 HA GLN 10 -9.283 -3.640 2.889
63 HB2 GLN 10 HB1 GLN 10 -8.409 -5.871 3.660
64 HB3 GLN 10 HB2 GLN 10 -6.779 -5.307 3.216
65 HG2 GLN 10 HG1 GLN 10 -7.598 -3.260 4.790
66 HG3 GLN 10 HG2 GLN 10 -8.481 -4.616 5.534
67 HE21 GLN 10 1HE2 GLN 10 -6.931 -6.672 5.567
68 HE22 GLN 10 2HE2 GLN 10 -5.412 -6.374 6.335
69 H ARG 11 HN ARG 11 -6.182 -4.235 1.238
70 HA ARG 11 HA ARG 11 -4.866 -1.920 2.020
71 HB2 ARG 11 HB1 ARG 11 -4.616 -3.856 -0.210
72 HB3 ARG 11 HB2 ARG 11 -3.843 -2.272 -0.458
73 HG2 ARG 11 HG1 ARG 11 -2.144 -2.811 0.872
74 HG3 ARG 11 HG2 ARG 11 -3.244 -3.323 2.174
75 HD2 ARG 11 HD1 ARG 11 -1.771 -5.154 1.426
76 HD3 ARG 11 HD2 ARG 11 -3.491 -5.516 1.144
77 HE ARG 11 HE ARG 11 -3.078 -5.532 -1.114
78 HH11 ARG 11 1HH1 ARG 11 -0.369 -4.091 0.533
79 HH12 ARG 11 2HH1 ARG 11 0.635 -4.052 -0.878
80 HH21 ARG 11 1HH2 ARG 11 -1.766 -5.485 -2.977
81 HH22 ARG 11 2HH2 ARG 11 -0.161 -4.845 -2.875
82 H LEU 12 HN LEU 12 -6.449 -2.428 -1.140
83 HA LEU 12 HA LEU 12 -6.309 0.122 -2.121
84 HB2 LEU 12 HB1 LEU 12 -7.555 -2.216 -2.868
85 HB3 LEU 12 HB2 LEU 12 -8.923 -1.107 -2.608
86 HG LEU 12 HG LEU 12 -7.985 0.445 -4.239
87 HD11 LEU 12 1HD1 LEU 12 -6.042 -0.171 -5.596
88 HD12 LEU 12 2HD1 LEU 12 -5.802 -1.618 -4.589
89 HD13 LEU 12 3HD1 LEU 12 -5.613 0.002 -3.878
90 HD21 LEU 12 3HD2 LEU 12 -8.147 -2.395 -5.269
91 HD22 LEU 12 1HD2 LEU 12 -8.297 -0.919 -6.251
92 HD23 LEU 12 2HD2 LEU 12 -9.519 -1.290 -5.011
93 H ALA 13 HN ALA 13 -9.081 -1.199 -0.301
94 HA ALA 13 HA ALA 13 -10.613 1.072 -0.100
95 HB1 ALA 13 HB1 ALA 13 -11.566 0.106 1.953
96 HB2 ALA 13 HB2 ALA 13 -10.224 -1.061 2.010
97 HB3 ALA 13 HB3 ALA 13 -11.386 -1.106 0.663
98 H ASN 14 HN ASN 14 -7.788 0.175 1.800
99 HA ASN 14 HA ASN 14 -8.030 2.245 3.727
100 HB2 ASN 14 HB1 ASN 14 -6.326 0.044 3.273
101 HB3 ASN 14 HB2 ASN 14 -5.280 1.485 3.284
102 HD21 ASN 14 1HD2 ASN 14 -7.302 -0.605 5.140
103 HD22 ASN 14 2HD2 ASN 14 -6.980 0.095 6.687
104 H PHE 15 HN PHE 15 -6.402 1.992 0.614
105 HA PHE 15 HA PHE 15 -5.076 4.520 0.834
106 HB2 PHE 15 HB1 PHE 15 -3.956 3.108 -0.610
107 HB3 PHE 15 HB2 PHE 15 -5.463 2.483 -1.324
108 HD1 PHE 15 HD1 PHE 15 -3.425 5.605 -1.103
109 HD2 PHE 15 HD2 PHE 15 -6.132 3.256 -3.399
110 HE1 PHE 15 HE1 PHE 15 -3.169 7.162 -2.991
111 HE2 PHE 15 HE2 PHE 15 -5.880 4.810 -5.291
112 HZ PHE 15 HZ PHE 15 -4.396 6.765 -5.089
113 H LEU 16 HN LEU 16 -8.207 3.469 -0.137
114 HA LEU 16 HA LEU 16 -8.821 5.796 -1.716
115 HB2 LEU 16 HB1 LEU 16 -10.247 3.348 -0.824
116 HB3 LEU 16 HB2 LEU 16 -11.244 4.772 -1.204
117 HG LEU 16 HG LEU 16 -10.081 4.808 -3.460
118 HD11 LEU 16 1HD1 LEU 16 -9.086 2.706 -4.221
119 HD12 LEU 16 2HD1 LEU 16 -9.238 2.042 -2.577
120 HD13 LEU 16 3HD1 LEU 16 -8.159 3.424 -2.883
121 HD21 LEU 16 3HD2 LEU 16 -11.771 2.401 -2.740
122 HD22 LEU 16 1HD2 LEU 16 -11.523 3.050 -4.379
123 HD23 LEU 16 2HD2 LEU 16 -12.375 4.023 -3.156
124 H VAL 17 HN VAL 17 -9.527 4.650 1.554
125 HA VAL 17 HA VAL 17 -11.124 6.949 2.214
126 HB VAL 17 HB VAL 17 -11.625 4.880 3.336
127 HG11 VAL 17 1HG1 VAL 17 -10.043 3.807 4.881
128 HG12 VAL 17 2HG1 VAL 17 -8.798 4.989 4.410
129 HG13 VAL 17 3HG1 VAL 17 -9.427 3.833 3.211
130 HG21 VAL 17 3HG2 VAL 17 -10.359 6.855 5.248
131 HG22 VAL 17 1HG2 VAL 17 -11.541 5.599 5.686
132 HG23 VAL 17 2HG2 VAL 17 -12.016 6.928 4.602
133 H HIS 18 HN HIS 18 -7.779 6.007 2.518
134 HA HIS 18 HA HIS 18 -7.207 8.422 4.089
135 HB2 HIS 18 HB1 HIS 18 -5.504 5.985 3.517
136 HB3 HIS 18 HB2 HIS 18 -4.972 7.398 4.460
137 HD1 HIS 18 HD1 HIS 18 -6.106 7.732 6.808
138 HD2 HIS 18 HD2 HIS 18 -7.099 4.180 4.895
139 HE1 HIS 18 HE1 HIS 18 -7.159 6.287 8.577
140 H SER 19 HN SER 19 -7.738 9.482 1.906
141 HA SER 19 HA SER 19 -6.138 9.315 -0.335
142 HB2 SER 19 HB1 SER 19 -6.970 11.432 -0.977
143 HB3 SER 19 HB2 SER 19 -8.250 10.727 0.040
144 HG SER 19 HG SER 19 -8.041 12.588 1.042
145 H SER 20 HN SER 20 -5.450 10.771 2.750
146 HA SER 20 HA SER 20 -3.364 12.484 2.093
147 HB2 SER 20 HB1 SER 20 -3.550 10.760 4.583
148 HB3 SER 20 HB2 SER 20 -2.634 12.276 4.403
149 HG SER 20 HG SER 20 -4.490 13.410 4.397
150 H ASN 21 HN ASN 21 -3.403 8.997 2.448
151 HA ASN 21 HA ASN 21 -0.721 8.411 2.668
152 HB2 ASN 21 HB1 ASN 21 -3.027 7.012 1.354
153 HB3 ASN 21 HB2 ASN 21 -1.382 6.356 1.166
154 HD21 ASN 21 1HD2 ASN 21 -0.244 6.745 3.554
155 HD22 ASN 21 2HD2 ASN 21 -1.090 5.895 4.797
156 H ASN 22 HN ASN 22 -2.492 9.543 -0.116
157 HA ASN 22 HA ASN 22 -0.710 8.874 -2.154
158 HB2 ASN 22 HB1 ASN 22 -2.810 9.676 -2.837
159 HB3 ASN 22 HB2 ASN 22 -2.685 11.124 -1.808
160 HD21 ASN 22 1HD2 ASN 22 -1.337 12.828 -2.474
161 HD22 ASN 22 2HD2 ASN 22 -0.859 13.014 -4.123
162 H PHE 23 HN PHE 23 -0.768 11.664 0.015
163 HA PHE 23 HA PHE 23 1.608 12.789 -1.212
164 HB2 PHE 23 HB1 PHE 23 -0.122 14.326 -0.491
165 HB3 PHE 23 HB2 PHE 23 -0.046 13.672 1.163
166 HD1 PHE 23 HD1 PHE 23 2.663 14.680 -1.200
167 HD2 PHE 23 HD2 PHE 23 0.723 15.379 2.523
168 HE1 PHE 23 HE1 PHE 23 4.377 16.349 -0.624
169 HE2 PHE 23 HE2 PHE 23 2.433 17.049 3.104
170 HZ PHE 23 HZ PHE 23 4.262 17.537 1.530
171 H GLY 24 HN GLY 24 0.669 11.487 1.965
172 HA2 GLY 24 HA1 GLY 24 3.150 11.714 3.222
173 HA3 GLY 24 HA2 GLY 24 1.919 10.530 3.634
174 H ALA 25 HN ALA 25 2.078 9.458 0.819
175 HA ALA 25 HA ALA 25 3.748 7.291 1.282
176 HB1 ALA 25 HB1 ALA 25 3.535 6.802 -1.120
177 HB2 ALA 25 HB2 ALA 25 2.857 8.428 -1.376
178 HB3 ALA 25 HB3 ALA 25 1.976 7.242 -0.383
179 H ILE 26 HN ILE 26 4.491 10.448 0.028
180 HA ILE 26 HA ILE 26 7.072 9.691 -1.014
181 HB ILE 26 HB ILE 26 5.903 12.433 -0.523
182 HG12 ILE 26 1HG1 ILE 26 6.064 12.113 -3.227
183 HG13 ILE 26 2HG1 ILE 26 5.679 10.455 -2.704
184 HG21 ILE 26 1HG2 ILE 26 7.677 13.240 -2.019
185 HG22 ILE 26 2HG2 ILE 26 8.355 11.596 -2.082
186 HG23 ILE 26 3HG2 ILE 26 8.336 12.493 -0.545
187 HD11 ILE 26 3HD1 ILE 26 3.696 11.289 -1.524
188 HD12 ILE 26 1HD1 ILE 26 3.653 11.709 -3.253
189 HD13 ILE 26 2HD1 ILE 26 4.082 12.946 -2.047
190 H LEU 27 HN LEU 27 5.773 10.819 1.990
191 HA LEU 27 HA LEU 27 8.299 11.703 3.056
192 HB2 LEU 27 HB1 LEU 27 5.501 11.691 3.879
193 HB3 LEU 27 HB2 LEU 27 6.615 11.296 5.211
194 HG LEU 27 HG LEU 27 7.437 13.641 3.663
195 HD11 LEU 27 1HD1 LEU 27 5.716 15.135 4.559
196 HD12 LEU 27 2HD1 LEU 27 4.828 13.726 5.188
197 HD13 LEU 27 3HD1 LEU 27 5.029 13.940 3.433
198 HD21 LEU 27 3HD2 LEU 27 6.891 13.146 6.599
199 HD22 LEU 27 1HD2 LEU 27 7.698 14.578 5.915
200 HD23 LEU 27 2HD2 LEU 27 8.461 12.976 5.778
201 H SER 28 HN SER 28 6.228 8.857 3.359
202 HA SER 28 HA SER 28 8.077 7.582 5.197
203 HB2 SER 28 HB1 SER 28 5.431 7.404 5.079
204 HB3 SER 28 HB2 SER 28 5.806 6.099 3.927
205 HG SER 28 HG SER 28 5.769 5.132 5.898
206 H SER 29 HN SER 29 7.031 7.267 1.842
207 HA SER 29 HA SER 29 7.865 6.106 0.072
208 HB2 SER 29 HB1 SER 29 10.565 5.682 1.084
209 HB3 SER 29 HB2 SER 29 10.012 6.651 -0.304
210 HG SER 29 HG SER 29 10.717 7.455 2.205
211 H THR 30 HN THR 30 6.831 4.639 2.434
212 HA THR 30 HA THR 30 8.369 2.282 2.812
213 HB THR 30 HB THR 30 6.674 2.989 4.441
214 HG1 THR 30 HG1 THR 30 7.071 0.843 4.605
215 HG21 THR 30 3HG2 THR 30 4.997 3.872 2.887
216 HG22 THR 30 1HG2 THR 30 4.282 2.658 3.973
217 HG23 THR 30 2HG2 THR 30 4.677 2.226 2.293
218 H ASN 31 HN ASN 31 6.055 3.287 0.424
219 HA ASN 31 HA ASN 31 6.178 0.604 -0.791
220 HB2 ASN 31 HB1 ASN 31 3.904 1.273 -0.030
221 HB3 ASN 31 HB2 ASN 31 3.990 2.676 -1.124
222 HD21 ASN 31 1HD2 ASN 31 3.204 2.415 -3.088
223 HD22 ASN 31 2HD2 ASN 31 2.898 0.908 -3.875
224 H VAL 32 HN VAL 32 6.508 4.041 -1.262
225 HA VAL 32 HA VAL 32 6.891 3.820 -4.121
226 HB VAL 32 HB VAL 32 7.313 6.177 -2.277
227 HG11 VAL 32 1HG1 VAL 32 7.298 7.531 -4.328
228 HG12 VAL 32 2HG1 VAL 32 7.211 6.041 -5.297
229 HG13 VAL 32 3HG1 VAL 32 8.651 6.374 -4.306
230 HG21 VAL 32 3HG2 VAL 32 5.004 5.478 -4.104
231 HG22 VAL 32 1HG2 VAL 32 5.176 6.991 -3.182
232 HG23 VAL 32 2HG2 VAL 32 4.987 5.443 -2.325
233 H GLY 33 HN GLY 33 8.976 5.355 -1.673
234 HA2 GLY 33 HA1 GLY 33 11.335 5.118 -3.156
235 HA3 GLY 33 HA2 GLY 33 11.255 5.360 -1.417
236 H SER 34 HN SER 34 9.806 2.871 -0.939
237 HA SER 34 HA SER 34 11.906 1.170 -0.364
238 HB2 SER 34 HB1 SER 34 10.316 -0.405 0.297
239 HB3 SER 34 HB2 SER 34 9.408 1.123 0.402
240 HG SER 34 HG SER 34 8.196 -0.438 -0.710
241 H ASN 35 HN ASN 35 9.958 1.384 -3.283
242 HA ASN 35 HA ASN 35 10.633 -0.971 -4.555
243 HB2 ASN 35 HB1 ASN 35 9.070 0.987 -5.285
244 HB3 ASN 35 HB2 ASN 35 10.528 1.609 -6.094
245 HD21 ASN 35 1HD2 ASN 35 8.384 1.013 -7.607
246 HD22 ASN 35 2HD2 ASN 35 8.662 -0.419 -8.533
247 H THR 36 HN THR 36 12.669 1.612 -3.695
248 HA THR 36 HA THR 36 14.777 0.627 -5.506
249 HB THR 36 HB THR 36 14.516 3.359 -4.233
250 HG1 THR 36 HG1 THR 36 13.532 3.844 -6.032
251 HG21 THR 36 3HG2 THR 36 16.861 2.667 -4.390
252 HG22 THR 36 1HG2 THR 36 16.496 3.955 -5.562
253 HG23 THR 36 2HG2 THR 36 16.629 2.267 -6.109
254 H TYR 37 HN TYR 37 14.216 1.952 -2.251
255 HA TYR 37 HA TYR 37 16.686 0.640 -1.353
256 HB2 TYR 37 HB1 TYR 37 15.034 2.793 -0.008
257 HB3 TYR 37 HB2 TYR 37 16.552 2.106 0.618
258 HD1 TYR 37 HD2 TYR 37 15.118 4.050 -2.220
259 HD2 TYR 37 HD1 TYR 37 18.628 2.980 -0.066
260 HE1 TYR 37 HE2 TYR 37 16.395 5.734 -3.477
261 HE2 TYR 37 HE1 TYR 37 19.915 4.664 -1.316
262 HH TYR 37 HH TYR 37 18.360 6.717 -3.766
263 HN1 NH2 38 HN1 NH2 37 14.513 -1.351 -1.887
264 HN2 NH2 38 HN2 NH2 37 13.855 -1.878 -0.237
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 -10.138 -11.751 6.490
2 H2 LYS 1 HT2 LYS 1 -9.851 -11.721 4.767
3 H3 LYS 1 HT3 LYS 1 -9.392 -10.353 5.753
4 HA LYS 1 HA LYS 1 -7.790 -11.682 6.890
5 HB2 LYS 1 HB1 LYS 1 -9.242 -13.821 5.566
6 HB3 LYS 1 HB2 LYS 1 -7.490 -13.939 5.271
7 HG2 LYS 1 HG1 LYS 1 -8.750 -13.678 8.011
8 HG3 LYS 1 HG2 LYS 1 -8.291 -15.222 7.254
9 HD2 LYS 1 HD1 LYS 1 -5.975 -14.594 7.206
10 HD3 LYS 1 HD2 LYS 1 -6.360 -12.931 7.710
11 HE2 LYS 1 HE1 LYS 1 -7.470 -14.765 9.620
12 HE3 LYS 1 HE2 LYS 1 -5.760 -15.179 9.346
13 HZ1 LYS 1 HZ1 LYS 1 -5.117 -12.969 9.907
14 HZ2 LYS 1 HZ2 LYS 1 -6.143 -13.521 11.132
15 HZ3 LYS 1 HZ3 LYS 1 -6.722 -12.435 9.972
16 H CYS 2 HN CYS 2 -5.849 -11.011 6.240
17 HA CYS 2 HA CYS 2 -5.489 -10.325 3.424
18 HB2 CYS 2 HB1 CYS 2 -5.018 -8.578 5.044
19 HB3 CYS 2 HB2 CYS 2 -3.862 -9.640 5.883
20 H ASN 3 HN ASN 3 -4.470 -11.675 2.112
21 HA ASN 3 HA ASN 3 -2.354 -13.393 3.225
22 HB2 ASN 3 HB1 ASN 3 -3.103 -14.971 1.261
23 HB3 ASN 3 HB2 ASN 3 -3.976 -14.985 2.812
24 HD21 ASN 3 1HD2 ASN 3 -4.137 -14.307 -0.552
25 HD22 ASN 3 2HD2 ASN 3 -5.803 -13.856 -0.610
26 H THR 4 HN THR 4 -3.666 -12.191 0.134
27 HA THR 4 HA THR 4 -1.348 -10.862 -0.672
28 HB THR 4 HB THR 4 -0.190 -12.930 -0.850
29 HG1 THR 4 HG1 THR 4 0.047 -11.536 -2.674
30 HG21 THR 4 3HG2 THR 4 -2.117 -14.441 -0.785
31 HG22 THR 4 1HG2 THR 4 -1.036 -14.845 -2.140
32 HG23 THR 4 2HG2 THR 4 -2.551 -13.962 -2.443
33 H ALA 5 HN ALA 5 -4.139 -12.752 -1.699
34 HA ALA 5 HA ALA 5 -4.475 -11.048 -4.054
35 HB1 ALA 5 HB1 ALA 5 -6.224 -12.645 -4.722
36 HB2 ALA 5 HB2 ALA 5 -5.961 -13.545 -3.209
37 HB3 ALA 5 HB3 ALA 5 -4.663 -13.446 -4.423
38 H THR 6 HN THR 6 -6.800 -12.452 -1.748
39 HA THR 6 HA THR 6 -8.784 -10.549 -2.079
40 HB THR 6 HB THR 6 -8.359 -11.771 0.623
41 HG1 THR 6 HG1 THR 6 -8.995 -13.757 -0.143
42 HG21 THR 6 3HG2 THR 6 -10.330 -10.365 0.245
43 HG22 THR 6 1HG2 THR 6 -10.798 -12.062 0.508
44 HG23 THR 6 2HG2 THR 6 -10.794 -11.385 -1.137
45 H CYS 7 HN CYS 7 -5.916 -10.456 -0.073
46 HA CYS 7 HA CYS 7 -6.514 -8.443 1.708
47 HB2 CYS 7 HB1 CYS 7 -4.387 -9.800 1.557
48 HB3 CYS 7 HB2 CYS 7 -3.867 -8.687 0.269
49 H ALA 8 HN ALA 8 -5.836 -8.215 -1.709
50 HA ALA 8 HA ALA 8 -5.144 -5.606 -2.089
51 HB1 ALA 8 HB1 ALA 8 -6.304 -5.712 -4.259
52 HB2 ALA 8 HB2 ALA 8 -7.136 -7.192 -3.725
53 HB3 ALA 8 HB3 ALA 8 -5.367 -7.188 -3.925
54 H THR 9 HN THR 9 -8.376 -6.861 -1.404
55 HA THR 9 HA THR 9 -9.831 -4.506 -1.787
56 HB THR 9 HB THR 9 -10.705 -6.241 0.448
57 HG1 THR 9 HG1 THR 9 -10.442 -7.207 -2.224
58 HG21 THR 9 3HG2 THR 9 -12.170 -4.531 -0.522
59 HG22 THR 9 1HG2 THR 9 -12.830 -6.162 -0.788
60 HG23 THR 9 2HG2 THR 9 -12.017 -5.303 -2.118
61 H GLN 10 HN GLN 10 -8.242 -5.769 1.125
62 HA GLN 10 HA GLN 10 -9.075 -3.708 2.859
63 HB2 GLN 10 HB1 GLN 10 -6.501 -5.267 3.109
64 HB3 GLN 10 HB2 GLN 10 -7.475 -4.542 4.411
65 HG2 GLN 10 HG1 GLN 10 -9.241 -6.270 3.166
66 HG3 GLN 10 HG2 GLN 10 -7.694 -7.150 3.122
67 HE21 GLN 10 1HE2 GLN 10 -10.286 -6.030 5.071
68 HE22 GLN 10 2HE2 GLN 10 -9.746 -6.695 6.569
69 H ARG 11 HN ARG 11 -5.995 -4.180 1.129
70 HA ARG 11 HA ARG 11 -4.724 -1.852 1.949
71 HB2 ARG 11 HB1 ARG 11 -4.363 -3.859 -0.105
72 HB3 ARG 11 HB2 ARG 11 -3.934 -2.241 -0.713
73 HG2 ARG 11 HG1 ARG 11 -2.189 -1.995 0.776
74 HG3 ARG 11 HG2 ARG 11 -2.882 -3.144 1.945
75 HD2 ARG 11 HD1 ARG 11 -1.568 -4.735 1.107
76 HD3 ARG 11 HD2 ARG 11 -2.434 -4.594 -0.442
77 HE ARG 11 HE ARG 11 -0.408 -2.598 -0.156
78 HH11 ARG 11 1HH1 ARG 11 -0.957 -5.942 -0.951
79 HH12 ARG 11 2HH1 ARG 11 0.456 -6.073 -1.944
80 HH21 ARG 11 1HH2 ARG 11 1.455 -2.757 -1.461
81 HH22 ARG 11 2HH2 ARG 11 1.828 -4.262 -2.233
82 H LEU 12 HN LEU 12 -6.349 -2.321 -1.196
83 HA LEU 12 HA LEU 12 -6.292 0.255 -2.113
84 HB2 LEU 12 HB1 LEU 12 -7.489 -2.095 -2.898
85 HB3 LEU 12 HB2 LEU 12 -8.881 -1.031 -2.585
86 HG LEU 12 HG LEU 12 -8.014 0.588 -4.193
87 HD11 LEU 12 1HD1 LEU 12 -6.080 0.059 -5.599
88 HD12 LEU 12 2HD1 LEU 12 -5.785 -1.407 -4.634
89 HD13 LEU 12 3HD1 LEU 12 -5.626 0.200 -3.884
90 HD21 LEU 12 3HD2 LEU 12 -8.120 -2.229 -5.294
91 HD22 LEU 12 1HD2 LEU 12 -8.328 -0.732 -6.234
92 HD23 LEU 12 2HD2 LEU 12 -9.516 -1.169 -4.984
93 H ALA 13 HN ALA 13 -8.998 -1.182 -0.282
94 HA ALA 13 HA ALA 13 -10.582 1.043 0.003
95 HB1 ALA 13 HB1 ALA 13 -11.475 0.001 2.045
96 HB2 ALA 13 HB2 ALA 13 -10.105 -1.134 2.048
97 HB3 ALA 13 HB3 ALA 13 -11.288 -1.171 0.719
98 H ASN 14 HN ASN 14 -7.704 0.170 1.833
99 HA ASN 14 HA ASN 14 -7.965 2.181 3.817
100 HB2 ASN 14 HB1 ASN 14 -6.388 0.006 3.565
101 HB3 ASN 14 HB2 ASN 14 -5.240 1.271 3.063
102 HD21 ASN 14 1HD2 ASN 14 -4.238 2.394 4.590
103 HD22 ASN 14 2HD2 ASN 14 -4.625 2.378 6.274
104 H PHE 15 HN PHE 15 -6.386 2.052 0.671
105 HA PHE 15 HA PHE 15 -5.122 4.608 0.937
106 HB2 PHE 15 HB1 PHE 15 -3.991 3.264 -0.565
107 HB3 PHE 15 HB2 PHE 15 -5.493 2.618 -1.269
108 HD1 PHE 15 HD2 PHE 15 -3.540 5.792 -1.000
109 HD2 PHE 15 HD1 PHE 15 -6.213 3.420 -3.312
110 HE1 PHE 15 HE2 PHE 15 -3.363 7.403 -2.852
111 HE2 PHE 15 HE1 PHE 15 -6.038 5.025 -5.168
112 HZ PHE 15 HZ PHE 15 -4.612 7.020 -4.939
113 H LEU 16 HN LEU 16 -8.239 3.499 -0.012
114 HA LEU 16 HA LEU 16 -8.944 5.848 -1.521
115 HB2 LEU 16 HB1 LEU 16 -10.264 3.330 -0.691
116 HB3 LEU 16 HB2 LEU 16 -11.328 4.733 -0.957
117 HG LEU 16 HG LEU 16 -10.202 4.918 -3.250
118 HD11 LEU 16 1HD1 LEU 16 -9.271 2.837 -4.147
119 HD12 LEU 16 2HD1 LEU 16 -9.392 2.093 -2.535
120 HD13 LEU 16 3HD1 LEU 16 -8.293 3.467 -2.800
121 HD21 LEU 16 3HD2 LEU 16 -11.921 2.510 -2.609
122 HD22 LEU 16 1HD2 LEU 16 -11.705 3.239 -4.219
123 HD23 LEU 16 2HD2 LEU 16 -12.504 4.162 -2.924
124 H VAL 17 HN VAL 17 -9.561 4.605 1.733
125 HA VAL 17 HA VAL 17 -11.202 6.847 2.476
126 HB VAL 17 HB VAL 17 -11.634 4.740 3.554
127 HG11 VAL 17 1HG1 VAL 17 -10.000 3.667 5.045
128 HG12 VAL 17 2HG1 VAL 17 -8.793 4.890 4.582
129 HG13 VAL 17 3HG1 VAL 17 -9.416 3.749 3.366
130 HG21 VAL 17 3HG2 VAL 17 -10.381 6.696 5.494
131 HG22 VAL 17 1HG2 VAL 17 -11.525 5.401 5.920
132 HG23 VAL 17 2HG2 VAL 17 -12.050 6.745 4.879
133 H HIS 18 HN HIS 18 -7.830 5.978 2.705
134 HA HIS 18 HA HIS 18 -7.293 8.370 4.324
135 HB2 HIS 18 HB1 HIS 18 -5.539 5.989 3.665
136 HB3 HIS 18 HB2 HIS 18 -5.027 7.391 4.635
137 HD1 HIS 18 HD1 HIS 18 -6.134 7.637 7.008
138 HD2 HIS 18 HD2 HIS 18 -7.066 4.111 5.020
139 HE1 HIS 18 HE1 HIS 18 -7.121 6.122 8.754
140 H SER 19 HN SER 19 -7.877 9.480 2.189
141 HA SER 19 HA SER 19 -6.325 9.405 -0.089
142 HB2 SER 19 HB1 SER 19 -7.989 11.492 1.244
143 HB3 SER 19 HB2 SER 19 -6.884 12.029 -0.045
144 HG SER 19 HG SER 19 -9.249 10.802 -0.284
145 H SER 20 HN SER 20 -5.589 10.779 3.022
146 HA SER 20 HA SER 20 -3.542 12.542 2.369
147 HB2 SER 20 HB1 SER 20 -4.155 10.876 4.794
148 HB3 SER 20 HB2 SER 20 -2.623 11.780 4.712
149 HG SER 20 HG SER 20 -5.049 12.698 5.321
150 H ASN 21 HN ASN 21 -3.526 9.045 2.621
151 HA ASN 21 HA ASN 21 -0.832 8.493 2.771
152 HB2 ASN 21 HB1 ASN 21 -3.151 7.100 1.475
153 HB3 ASN 21 HB2 ASN 21 -1.503 6.475 1.218
154 HD21 ASN 21 1HD2 ASN 21 -1.008 4.906 2.553
155 HD22 ASN 21 2HD2 ASN 21 -1.532 4.740 4.193
156 H ASN 22 HN ASN 22 -2.678 9.684 0.061
157 HA ASN 22 HA ASN 22 -0.948 9.092 -2.042
158 HB2 ASN 22 HB1 ASN 22 -3.061 9.923 -2.646
159 HB3 ASN 22 HB2 ASN 22 -2.911 11.330 -1.565
160 HD21 ASN 22 1HD2 ASN 22 -1.583 13.060 -2.197
161 HD22 ASN 22 2HD2 ASN 22 -1.145 13.309 -3.849
162 H PHE 23 HN PHE 23 -0.942 11.808 0.222
163 HA PHE 23 HA PHE 23 1.405 12.969 -1.029
164 HB2 PHE 23 HB1 PHE 23 -0.352 14.451 -0.183
165 HB3 PHE 23 HB2 PHE 23 -0.131 13.783 1.452
166 HD1 PHE 23 HD2 PHE 23 2.348 14.890 -1.114
167 HD2 PHE 23 HD1 PHE 23 0.719 15.474 2.774
168 HE1 PHE 23 HE2 PHE 23 4.066 16.590 -0.654
169 HE2 PHE 23 HE1 PHE 23 2.434 17.176 3.241
170 HZ PHE 23 HZ PHE 23 4.111 17.735 1.525
171 H GLY 24 HN GLY 24 0.543 11.548 2.118
172 HA2 GLY 24 HA1 GLY 24 3.049 11.734 3.329
173 HA3 GLY 24 HA2 GLY 24 1.833 10.527 3.718
174 H ALA 25 HN ALA 25 1.899 9.515 0.909
175 HA ALA 25 HA ALA 25 3.629 7.374 1.245
176 HB1 ALA 25 HB1 ALA 25 3.311 6.930 -1.155
177 HB2 ALA 25 HB2 ALA 25 2.596 8.548 -1.346
178 HB3 ALA 25 HB3 ALA 25 1.781 7.328 -0.339
179 H ILE 26 HN ILE 26 4.260 10.571 0.039
180 HA ILE 26 HA ILE 26 6.798 9.886 -1.149
181 HB ILE 26 HB ILE 26 5.611 12.593 -0.525
182 HG12 ILE 26 1HG1 ILE 26 5.657 12.346 -3.244
183 HG13 ILE 26 2HG1 ILE 26 5.312 10.673 -2.745
184 HG21 ILE 26 1HG2 ILE 26 7.303 13.473 -2.078
185 HG22 ILE 26 2HG2 ILE 26 8.002 11.843 -2.219
186 HG23 ILE 26 3HG2 ILE 26 8.041 12.695 -0.657
187 HD11 ILE 26 3HD1 ILE 26 3.378 11.456 -1.456
188 HD12 ILE 26 1HD1 ILE 26 3.250 11.918 -3.170
189 HD13 ILE 26 2HD1 ILE 26 3.722 13.129 -1.955
190 H LEU 27 HN LEU 27 5.631 10.958 1.938
191 HA LEU 27 HA LEU 27 8.180 11.857 2.910
192 HB2 LEU 27 HB1 LEU 27 5.461 11.437 4.069
193 HB3 LEU 27 HB2 LEU 27 6.852 11.554 5.173
194 HG LEU 27 HG LEU 27 5.592 13.688 4.826
195 HD11 LEU 27 1HD1 LEU 27 7.592 15.077 4.570
196 HD12 LEU 27 2HD1 LEU 27 8.487 13.669 3.949
197 HD13 LEU 27 3HD1 LEU 27 7.896 13.679 5.628
198 HD21 LEU 27 3HD2 LEU 27 6.779 13.509 2.048
199 HD22 LEU 27 1HD2 LEU 27 5.949 14.923 2.738
200 HD23 LEU 27 2HD2 LEU 27 5.050 13.412 2.459
201 H SER 28 HN SER 28 6.203 8.943 3.285
202 HA SER 28 HA SER 28 8.232 7.670 4.923
203 HB2 SER 28 HB1 SER 28 5.428 7.339 4.516
204 HB3 SER 28 HB2 SER 28 6.226 5.812 4.069
205 HG SER 28 HG SER 28 7.229 5.820 6.119
206 H SER 29 HN SER 29 6.919 7.430 1.660
207 HA SER 29 HA SER 29 7.642 6.364 -0.215
208 HB2 SER 29 HB1 SER 29 10.383 6.092 0.992
209 HB3 SER 29 HB2 SER 29 9.922 6.464 -0.687
210 HG SER 29 HG SER 29 10.714 8.305 0.481
211 H THR 30 HN THR 30 6.319 4.670 1.304
212 HA THR 30 HA THR 30 7.905 2.325 1.921
213 HB THR 30 HB THR 30 6.022 2.918 3.383
214 HG1 THR 30 HG1 THR 30 5.728 0.846 3.708
215 HG21 THR 30 3HG2 THR 30 4.531 3.899 1.704
216 HG22 THR 30 1HG2 THR 30 3.707 2.610 2.613
217 HG23 THR 30 2HG2 THR 30 4.303 2.296 0.966
218 H ASN 31 HN ASN 31 5.946 3.524 -0.668
219 HA ASN 31 HA ASN 31 6.074 0.900 -1.999
220 HB2 ASN 31 HB1 ASN 31 4.123 1.404 -3.186
221 HB3 ASN 31 HB2 ASN 31 3.806 2.062 -1.562
222 HD21 ASN 31 1HD2 ASN 31 3.421 2.699 -4.713
223 HD22 ASN 31 2HD2 ASN 31 3.444 4.427 -4.693
224 H VAL 32 HN VAL 32 6.978 4.239 -2.171
225 HA VAL 32 HA VAL 32 7.992 3.913 -4.903
226 HB VAL 32 HB VAL 32 6.693 5.933 -4.515
227 HG11 VAL 32 1HG1 VAL 32 7.482 7.683 -2.980
228 HG12 VAL 32 2HG1 VAL 32 8.775 6.596 -2.421
229 HG13 VAL 32 3HG1 VAL 32 7.071 6.182 -2.119
230 HG21 VAL 32 3HG2 VAL 32 9.647 6.510 -4.841
231 HG22 VAL 32 1HG2 VAL 32 8.320 7.602 -5.302
232 HG23 VAL 32 2HG2 VAL 32 8.517 6.040 -6.133
233 H GLY 33 HN GLY 33 9.030 4.437 -1.596
234 HA2 GLY 33 HA1 GLY 33 11.803 4.820 -2.375
235 HA3 GLY 33 HA2 GLY 33 11.170 4.811 -0.734
236 H SER 34 HN SER 34 10.090 2.479 -0.297
237 HA SER 34 HA SER 34 12.194 0.716 0.075
238 HB2 SER 34 HB1 SER 34 9.308 0.683 0.446
239 HB3 SER 34 HB2 SER 34 9.921 -0.913 -0.051
240 HG SER 34 HG SER 34 11.575 -0.485 1.681
241 H ASN 35 HN ASN 35 10.099 1.133 -2.674
242 HA ASN 35 HA ASN 35 10.378 -1.274 -3.999
243 HB2 ASN 35 HB1 ASN 35 9.421 1.303 -4.612
244 HB3 ASN 35 HB2 ASN 35 10.611 0.911 -5.877
245 HD21 ASN 35 1HD2 ASN 35 7.730 1.182 -6.103
246 HD22 ASN 35 2HD2 ASN 35 7.140 -0.330 -6.699
247 H THR 36 HN THR 36 12.789 0.998 -3.237
248 HA THR 36 HA THR 36 14.693 -0.432 -4.965
249 HB THR 36 HB THR 36 15.627 2.238 -4.485
250 HG1 THR 36 HG1 THR 36 13.969 3.436 -5.071
251 HG21 THR 36 3HG2 THR 36 16.406 0.763 -6.278
252 HG22 THR 36 1HG2 THR 36 15.772 2.289 -6.939
253 HG23 THR 36 2HG2 THR 36 14.789 0.808 -7.022
254 H TYR 37 HN TYR 37 14.186 1.492 -2.048
255 HA TYR 37 HA TYR 37 16.737 0.504 -0.976
256 HB2 TYR 37 HB1 TYR 37 14.978 2.638 0.239
257 HB3 TYR 37 HB2 TYR 37 16.690 2.295 0.588
258 HD1 TYR 37 HD2 TYR 37 17.787 2.074 -2.155
259 HD2 TYR 37 HD1 TYR 37 14.998 4.850 -0.537
260 HE1 TYR 37 HE2 TYR 37 18.469 3.731 -3.840
261 HE2 TYR 37 HE1 TYR 37 15.670 6.515 -2.218
262 HH TYR 37 HH TYR 37 16.765 6.764 -4.227
263 HN1 NH2 38 HN1 NH2 37 15.344 -1.890 -0.895
264 HN2 NH2 38 HN2 NH2 37 14.465 -2.104 0.722
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 2.545 -8.725 7.270
2 H2 LYS 1 HT2 LYS 1 1.111 -9.504 6.646
3 H3 LYS 1 HT3 LYS 1 1.440 -7.834 6.252
4 HA LYS 1 HA LYS 1 3.382 -8.473 5.055
5 HB2 LYS 1 HB1 LYS 1 3.812 -10.872 4.599
6 HB3 LYS 1 HB2 LYS 1 4.036 -10.433 6.309
7 HG2 LYS 1 HG1 LYS 1 1.652 -11.270 6.671
8 HG3 LYS 1 HG2 LYS 1 1.776 -11.984 5.044
9 HD2 LYS 1 HD1 LYS 1 2.378 -13.697 6.581
10 HD3 LYS 1 HD2 LYS 1 3.893 -13.130 5.837
11 HE2 LYS 1 HE1 LYS 1 4.614 -12.089 7.769
12 HE3 LYS 1 HE2 LYS 1 2.961 -11.861 8.391
13 HZ1 LYS 1 HZ1 LYS 1 2.963 -14.412 8.555
14 HZ2 LYS 1 HZ2 LYS 1 3.817 -13.531 9.719
15 HZ3 LYS 1 HZ3 LYS 1 4.648 -14.288 8.453
16 H CYS 2 HN CYS 2 0.222 -10.018 5.187
17 HA CYS 2 HA CYS 2 -1.375 -10.399 3.610
18 HB2 CYS 2 HB1 CYS 2 -0.042 -7.877 2.775
19 HB3 CYS 2 HB2 CYS 2 -1.100 -8.663 1.579
20 H ASN 3 HN ASN 3 -0.288 -12.449 3.157
21 HA ASN 3 HA ASN 3 1.227 -12.523 0.655
22 HB2 ASN 3 HB1 ASN 3 0.798 -14.474 2.907
23 HB3 ASN 3 HB2 ASN 3 1.390 -15.034 1.324
24 HD21 ASN 3 1HD2 ASN 3 3.479 -14.757 0.824
25 HD22 ASN 3 2HD2 ASN 3 4.639 -13.950 1.818
26 H THR 4 HN THR 4 -1.565 -11.899 0.568
27 HA THR 4 HA THR 4 -2.444 -14.080 -1.170
28 HB THR 4 HB THR 4 -4.777 -13.142 0.153
29 HG1 THR 4 HG1 THR 4 -2.687 -13.976 1.905
30 HG21 THR 4 3HG2 THR 4 -4.520 -15.324 -0.932
31 HG22 THR 4 1HG2 THR 4 -5.027 -15.511 0.763
32 HG23 THR 4 2HG2 THR 4 -3.332 -15.803 0.304
33 H ALA 5 HN ALA 5 -4.170 -13.452 -2.637
34 HA ALA 5 HA ALA 5 -3.774 -10.808 -3.653
35 HB1 ALA 5 HB1 ALA 5 -5.388 -11.460 -5.392
36 HB2 ALA 5 HB2 ALA 5 -5.733 -12.956 -4.491
37 HB3 ALA 5 HB3 ALA 5 -4.111 -12.679 -5.169
38 H THR 6 HN THR 6 -6.313 -12.439 -1.845
39 HA THR 6 HA THR 6 -8.391 -10.632 -2.108
40 HB THR 6 HB THR 6 -7.786 -11.947 0.530
41 HG1 THR 6 HG1 THR 6 -8.675 -13.140 -1.894
42 HG21 THR 6 3HG2 THR 6 -9.753 -10.488 0.418
43 HG22 THR 6 1HG2 THR 6 -10.234 -12.190 0.615
44 HG23 THR 6 2HG2 THR 6 -10.360 -11.408 -0.979
45 H CYS 7 HN CYS 7 -5.527 -10.462 -0.081
46 HA CYS 7 HA CYS 7 -6.207 -8.466 1.690
47 HB2 CYS 7 HB1 CYS 7 -3.775 -9.629 0.654
48 HB3 CYS 7 HB2 CYS 7 -3.576 -7.877 0.895
49 H ALA 8 HN ALA 8 -5.473 -8.218 -1.713
50 HA ALA 8 HA ALA 8 -4.834 -5.597 -2.085
51 HB1 ALA 8 HB1 ALA 8 -5.962 -5.724 -4.268
52 HB2 ALA 8 HB2 ALA 8 -6.773 -7.219 -3.746
53 HB3 ALA 8 HB3 ALA 8 -5.003 -7.182 -3.923
54 H THR 9 HN THR 9 -8.045 -6.917 -1.432
55 HA THR 9 HA THR 9 -9.550 -4.598 -1.838
56 HB THR 9 HB THR 9 -10.395 -6.346 0.398
57 HG1 THR 9 HG1 THR 9 -10.824 -8.078 -1.016
58 HG21 THR 9 3HG2 THR 9 -11.894 -4.665 -0.566
59 HG22 THR 9 1HG2 THR 9 -12.520 -6.309 -0.840
60 HG23 THR 9 2HG2 THR 9 -11.724 -5.427 -2.165
61 H GLN 10 HN GLN 10 -7.982 -5.817 1.106
62 HA GLN 10 HA GLN 10 -8.866 -3.754 2.810
63 HB2 GLN 10 HB1 GLN 10 -7.907 -5.966 3.521
64 HB3 GLN 10 HB2 GLN 10 -6.303 -5.335 3.075
65 HG2 GLN 10 HG1 GLN 10 -6.157 -4.026 4.908
66 HG3 GLN 10 HG2 GLN 10 -7.895 -3.642 4.906
67 HE21 GLN 10 1HE2 GLN 10 -9.353 -5.307 5.688
68 HE22 GLN 10 2HE2 GLN 10 -8.817 -6.384 6.930
69 H ARG 11 HN ARG 11 -5.763 -4.194 1.117
70 HA ARG 11 HA ARG 11 -4.526 -1.850 1.941
71 HB2 ARG 11 HB1 ARG 11 -4.229 -3.721 -0.339
72 HB3 ARG 11 HB2 ARG 11 -3.516 -2.103 -0.552
73 HG2 ARG 11 HG1 ARG 11 -1.788 -2.604 0.762
74 HG3 ARG 11 HG2 ARG 11 -2.857 -3.216 2.047
75 HD2 ARG 11 HD1 ARG 11 -1.329 -4.960 1.252
76 HD3 ARG 11 HD2 ARG 11 -3.025 -5.371 0.897
77 HE ARG 11 HE ARG 11 -2.553 -5.238 -1.347
78 HH11 ARG 11 1HH1 ARG 11 0.081 -3.864 0.467
79 HH12 ARG 11 2HH1 ARG 11 1.132 -3.740 -0.905
80 HH21 ARG 11 1HH2 ARG 11 -1.179 -5.078 -3.161
81 HH22 ARG 11 2HH2 ARG 11 0.415 -4.429 -2.968
82 H LEU 12 HN LEU 12 -6.120 -2.344 -1.215
83 HA LEU 12 HA LEU 12 -6.085 0.232 -2.135
84 HB2 LEU 12 HB1 LEU 12 -7.251 -2.132 -2.928
85 HB3 LEU 12 HB2 LEU 12 -8.657 -1.082 -2.628
86 HG LEU 12 HG LEU 12 -7.796 0.543 -4.230
87 HD11 LEU 12 1HD1 LEU 12 -5.845 0.033 -5.620
88 HD12 LEU 12 2HD1 LEU 12 -5.540 -1.427 -4.650
89 HD13 LEU 12 3HD1 LEU 12 -5.406 0.182 -3.902
90 HD21 LEU 12 3HD2 LEU 12 -7.862 -2.277 -5.326
91 HD22 LEU 12 1HD2 LEU 12 -8.079 -0.785 -6.271
92 HD23 LEU 12 2HD2 LEU 12 -9.271 -1.232 -5.029
93 H ALA 13 HN ALA 13 -8.789 -1.232 -0.323
94 HA ALA 13 HA ALA 13 -10.401 0.975 -0.054
95 HB1 ALA 13 HB1 ALA 13 -11.296 -0.073 1.984
96 HB2 ALA 13 HB2 ALA 13 -9.912 -1.191 2.000
97 HB3 ALA 13 HB3 ALA 13 -11.085 -1.247 0.663
98 H ASN 14 HN ASN 14 -7.526 0.138 1.800
99 HA ASN 14 HA ASN 14 -7.824 2.151 3.777
100 HB2 ASN 14 HB1 ASN 14 -6.158 -0.006 3.429
101 HB3 ASN 14 HB2 ASN 14 -5.063 1.365 3.131
102 HD21 ASN 14 1HD2 ASN 14 -4.198 2.327 4.831
103 HD22 ASN 14 2HD2 ASN 14 -4.719 2.155 6.469
104 H PHE 15 HN PHE 15 -6.219 2.033 0.644
105 HA PHE 15 HA PHE 15 -4.988 4.604 0.914
106 HB2 PHE 15 HB1 PHE 15 -3.830 3.268 -0.577
107 HB3 PHE 15 HB2 PHE 15 -5.320 2.606 -1.291
108 HD1 PHE 15 HD2 PHE 15 -3.403 5.800 -1.014
109 HD2 PHE 15 HD1 PHE 15 -6.035 3.396 -3.340
110 HE1 PHE 15 HE2 PHE 15 -3.229 7.409 -2.868
111 HE2 PHE 15 HE1 PHE 15 -5.864 5.001 -5.199
112 HZ PHE 15 HZ PHE 15 -4.461 7.012 -4.962
113 H LEU 16 HN LEU 16 -8.086 3.458 -0.056
114 HA LEU 16 HA LEU 16 -8.805 5.796 -1.574
115 HB2 LEU 16 HB1 LEU 16 -10.125 3.277 -0.724
116 HB3 LEU 16 HB2 LEU 16 -11.181 4.672 -1.055
117 HG LEU 16 HG LEU 16 -10.038 4.806 -3.323
118 HD11 LEU 16 1HD1 LEU 16 -9.001 2.747 -4.150
119 HD12 LEU 16 2HD1 LEU 16 -9.118 2.039 -2.522
120 HD13 LEU 16 3HD1 LEU 16 -8.076 3.453 -2.804
121 HD21 LEU 16 3HD2 LEU 16 -11.660 2.342 -2.649
122 HD22 LEU 16 1HD2 LEU 16 -11.445 3.037 -4.273
123 HD23 LEU 16 2HD2 LEU 16 -12.307 3.958 -3.018
124 H VAL 17 HN VAL 17 -9.432 4.552 1.677
125 HA VAL 17 HA VAL 17 -11.104 6.776 2.405
126 HB VAL 17 HB VAL 17 -11.521 4.667 3.484
127 HG11 VAL 17 1HG1 VAL 17 -9.885 3.614 4.988
128 HG12 VAL 17 2HG1 VAL 17 -8.688 4.850 4.533
129 HG13 VAL 17 3HG1 VAL 17 -9.287 3.701 3.314
130 HG21 VAL 17 3HG2 VAL 17 -10.304 6.641 5.430
131 HG22 VAL 17 1HG2 VAL 17 -11.436 5.334 5.851
132 HG23 VAL 17 2HG2 VAL 17 -11.969 6.670 4.803
133 H HIS 18 HN HIS 18 -7.725 5.946 2.660
134 HA HIS 18 HA HIS 18 -7.225 8.346 4.278
135 HB2 HIS 18 HB1 HIS 18 -5.440 5.986 3.635
136 HB3 HIS 18 HB2 HIS 18 -4.951 7.395 4.608
137 HD1 HIS 18 HD1 HIS 18 -6.079 7.632 6.972
138 HD2 HIS 18 HD2 HIS 18 -6.955 4.091 4.982
139 HE1 HIS 18 HE1 HIS 18 -7.062 6.109 8.714
140 H SER 19 HN SER 19 -7.806 9.447 2.136
141 HA SER 19 HA SER 19 -6.237 9.386 -0.130
142 HB2 SER 19 HB1 SER 19 -8.386 10.764 0.428
143 HB3 SER 19 HB2 SER 19 -7.230 12.015 0.947
144 HG SER 19 HG SER 19 -8.043 11.594 -1.483
145 H SER 20 HN SER 20 -5.540 10.772 2.984
146 HA SER 20 HA SER 20 -3.507 12.556 2.342
147 HB2 SER 20 HB1 SER 20 -4.540 11.311 4.710
148 HB3 SER 20 HB2 SER 20 -2.762 11.237 4.754
149 HG SER 20 HG SER 20 -2.720 13.486 4.442
150 H ASN 21 HN ASN 21 -3.455 9.062 2.603
151 HA ASN 21 HA ASN 21 -0.755 8.539 2.773
152 HB2 ASN 21 HB1 ASN 21 -3.049 7.116 1.465
153 HB3 ASN 21 HB2 ASN 21 -1.393 6.510 1.221
154 HD21 ASN 21 1HD2 ASN 21 -0.892 4.948 2.564
155 HD22 ASN 21 2HD2 ASN 21 -1.424 4.782 4.199
156 H ASN 22 HN ASN 22 -2.595 9.703 0.048
157 HA ASN 22 HA ASN 22 -0.846 9.126 -2.042
158 HB2 ASN 22 HB1 ASN 22 -2.962 9.933 -2.663
159 HB3 ASN 22 HB2 ASN 22 -2.835 11.343 -1.584
160 HD21 ASN 22 1HD2 ASN 22 -1.517 13.086 -2.210
161 HD22 ASN 22 2HD2 ASN 22 -1.071 13.337 -3.860
162 H PHE 23 HN PHE 23 -0.881 11.846 0.217
163 HA PHE 23 HA PHE 23 1.463 13.028 -1.022
164 HB2 PHE 23 HB1 PHE 23 -0.338 14.475 -0.176
165 HB3 PHE 23 HB2 PHE 23 -0.070 13.836 1.464
166 HD1 PHE 23 HD2 PHE 23 2.359 14.933 -1.152
167 HD2 PHE 23 HD1 PHE 23 0.743 15.595 2.729
168 HE1 PHE 23 HE2 PHE 23 4.048 16.676 -0.750
169 HE2 PHE 23 HE1 PHE 23 2.428 17.340 3.138
170 HZ PHE 23 HZ PHE 23 4.084 17.882 1.398
171 H GLY 24 HN GLY 24 0.595 11.601 2.121
172 HA2 GLY 24 HA1 GLY 24 3.092 11.814 3.347
173 HA3 GLY 24 HA2 GLY 24 1.883 10.599 3.733
174 H ALA 25 HN ALA 25 1.983 9.591 0.916
175 HA ALA 25 HA ALA 25 3.730 7.464 1.272
176 HB1 ALA 25 HB1 ALA 25 3.427 7.007 -1.127
177 HB2 ALA 25 HB2 ALA 25 2.694 8.617 -1.327
178 HB3 ALA 25 HB3 ALA 25 1.889 7.391 -0.318
179 H ILE 26 HN ILE 26 4.333 10.663 0.060
180 HA ILE 26 HA ILE 26 6.881 10.002 -1.118
181 HB ILE 26 HB ILE 26 5.667 12.698 -0.503
182 HG12 ILE 26 1HG1 ILE 26 5.716 12.448 -3.221
183 HG13 ILE 26 2HG1 ILE 26 5.390 10.771 -2.720
184 HG21 ILE 26 1HG2 ILE 26 7.352 13.589 -2.056
185 HG22 ILE 26 2HG2 ILE 26 8.066 11.965 -2.193
186 HG23 ILE 26 3HG2 ILE 26 8.097 12.822 -0.634
187 HD11 ILE 26 3HD1 ILE 26 3.446 11.534 -1.433
188 HD12 ILE 26 1HD1 ILE 26 3.315 11.993 -3.147
189 HD13 ILE 26 2HD1 ILE 26 3.773 13.211 -1.933
190 H LEU 27 HN LEU 27 5.694 11.023 1.971
191 HA LEU 27 HA LEU 27 8.253 11.934 2.941
192 HB2 LEU 27 HB1 LEU 27 5.553 11.492 4.188
193 HB3 LEU 27 HB2 LEU 27 6.986 11.836 5.187
194 HG LEU 27 HG LEU 27 6.338 13.705 2.954
195 HD11 LEU 27 1HD1 LEU 27 4.799 14.959 4.386
196 HD12 LEU 27 2HD1 LEU 27 4.875 13.660 5.599
197 HD13 LEU 27 3HD1 LEU 27 4.165 13.343 3.998
198 HD21 LEU 27 3HD2 LEU 27 7.400 14.055 5.765
199 HD22 LEU 27 1HD2 LEU 27 7.230 15.341 4.547
200 HD23 LEU 27 2HD2 LEU 27 8.371 14.003 4.275
201 H SER 28 HN SER 28 6.240 9.051 3.267
202 HA SER 28 HA SER 28 8.174 7.770 5.009
203 HB2 SER 28 HB1 SER 28 6.603 5.942 5.152
204 HB3 SER 28 HB2 SER 28 5.704 7.470 5.315
205 HG SER 28 HG SER 28 4.539 6.543 3.788
206 H SER 29 HN SER 29 7.020 7.519 1.687
207 HA SER 29 HA SER 29 7.887 6.515 -0.161
208 HB2 SER 29 HB1 SER 29 10.495 5.879 1.115
209 HB3 SER 29 HB2 SER 29 10.147 6.657 -0.448
210 HG SER 29 HG SER 29 9.466 8.520 0.875
211 H THR 30 HN THR 30 6.418 4.927 1.602
212 HA THR 30 HA THR 30 7.807 2.411 1.946
213 HB THR 30 HB THR 30 6.136 3.175 3.610
214 HG1 THR 30 HG1 THR 30 5.736 1.127 3.983
215 HG21 THR 30 3HG2 THR 30 4.543 4.238 2.079
216 HG22 THR 30 1HG2 THR 30 3.740 3.003 3.078
217 HG23 THR 30 2HG2 THR 30 4.149 2.648 1.383
218 H ASN 31 HN ASN 31 5.712 3.907 -0.367
219 HA ASN 31 HA ASN 31 5.378 1.341 -1.767
220 HB2 ASN 31 HB1 ASN 31 3.354 2.808 -1.100
221 HB3 ASN 31 HB2 ASN 31 3.874 3.863 -2.436
222 HD21 ASN 31 1HD2 ASN 31 3.885 3.003 -4.563
223 HD22 ASN 31 2HD2 ASN 31 2.869 1.670 -4.987
224 H VAL 32 HN VAL 32 6.731 4.527 -1.966
225 HA VAL 32 HA VAL 32 7.485 4.094 -4.772
226 HB VAL 32 HB VAL 32 6.417 6.236 -4.340
227 HG11 VAL 32 1HG1 VAL 32 7.469 7.920 -2.891
228 HG12 VAL 32 2HG1 VAL 32 8.685 6.718 -2.395
229 HG13 VAL 32 3HG1 VAL 32 6.972 6.476 -1.977
230 HG21 VAL 32 3HG2 VAL 32 9.387 6.516 -4.861
231 HG22 VAL 32 1HG2 VAL 32 8.145 7.728 -5.259
232 HG23 VAL 32 2HG2 VAL 32 8.136 6.145 -6.071
233 H GLY 33 HN GLY 33 8.786 4.586 -1.549
234 HA2 GLY 33 HA1 GLY 33 11.525 4.677 -2.507
235 HA3 GLY 33 HA2 GLY 33 11.000 4.745 -0.831
236 H SER 34 HN SER 34 9.520 2.442 -0.605
237 HA SER 34 HA SER 34 11.412 0.516 -0.034
238 HB2 SER 34 HB1 SER 34 9.660 -0.871 0.556
239 HB3 SER 34 HB2 SER 34 8.845 0.711 0.566
240 HG SER 34 HG SER 34 8.055 0.257 -1.509
241 H ASN 35 HN ASN 35 9.695 1.108 -3.029
242 HA ASN 35 HA ASN 35 10.129 -1.249 -4.398
243 HB2 ASN 35 HB1 ASN 35 9.502 1.504 -5.072
244 HB3 ASN 35 HB2 ASN 35 10.551 0.760 -6.303
245 HD21 ASN 35 1HD2 ASN 35 8.863 0.804 -7.808
246 HD22 ASN 35 2HD2 ASN 35 7.548 -0.315 -7.736
247 H THR 36 HN THR 36 12.434 0.977 -3.263
248 HA THR 36 HA THR 36 14.512 -0.255 -4.954
249 HB THR 36 HB THR 36 14.511 2.511 -3.730
250 HG1 THR 36 HG1 THR 36 13.549 2.944 -5.563
251 HG21 THR 36 3HG2 THR 36 16.755 1.528 -3.708
252 HG22 THR 36 1HG2 THR 36 16.642 2.829 -4.918
253 HG23 THR 36 2HG2 THR 36 16.599 1.127 -5.435
254 H TYR 37 HN TYR 37 13.787 1.059 -1.742
255 HA TYR 37 HA TYR 37 16.162 -0.237 -0.646
256 HB2 TYR 37 HB1 TYR 37 14.169 1.744 0.439
257 HB3 TYR 37 HB2 TYR 37 15.308 0.890 1.509
258 HD1 TYR 37 HD1 TYR 37 15.348 2.857 -1.686
259 HD2 TYR 37 HD2 TYR 37 17.313 1.942 1.975
260 HE1 TYR 37 HE1 TYR 37 17.078 4.527 -2.205
261 HE2 TYR 37 HE2 TYR 37 19.049 3.610 1.466
262 HH TYR 37 HH TYR 37 19.971 4.656 -0.856
263 HN1 NH2 38 HN1 NH2 37 14.508 -0.313 2.281
264 HN2 NH2 38 HN2 NH2 37 13.630 -1.938 2.127
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 4.716 -8.167 5.307
2 H2 LYS 1 HT2 LYS 1 4.286 -7.709 3.677
3 H3 LYS 1 HT3 LYS 1 4.099 -9.367 4.196
4 HA LYS 1 HA LYS 1 2.442 -8.716 5.759
5 HB2 LYS 1 HB1 LYS 1 3.331 -6.014 4.916
6 HB3 LYS 1 HB2 LYS 1 1.582 -6.226 5.173
7 HG2 LYS 1 HG1 LYS 1 2.650 -5.403 7.193
8 HG3 LYS 1 HG2 LYS 1 2.027 -7.051 7.446
9 HD2 LYS 1 HD1 LYS 1 4.353 -7.894 6.925
10 HD3 LYS 1 HD2 LYS 1 4.896 -6.199 6.981
11 HE2 LYS 1 HE1 LYS 1 3.286 -6.858 9.305
12 HE3 LYS 1 HE2 LYS 1 4.655 -7.982 9.135
13 HZ1 LYS 1 HZ1 LYS 1 5.459 -6.196 10.389
14 HZ2 LYS 1 HZ2 LYS 1 4.726 -5.031 9.407
15 HZ3 LYS 1 HZ3 LYS 1 6.055 -5.906 8.835
16 H CYS 2 HN CYS 2 0.471 -9.299 5.053
17 HA CYS 2 HA CYS 2 -1.189 -9.903 3.621
18 HB2 CYS 2 HB1 CYS 2 -0.396 -7.173 2.769
19 HB3 CYS 2 HB2 CYS 2 -1.390 -8.108 1.625
20 H ASN 3 HN ASN 3 -0.260 -11.784 2.826
21 HA ASN 3 HA ASN 3 1.372 -11.606 0.410
22 HB2 ASN 3 HB1 ASN 3 2.297 -13.122 1.962
23 HB3 ASN 3 HB2 ASN 3 0.710 -13.844 2.322
24 HD21 ASN 3 1HD2 ASN 3 2.522 -13.174 -0.669
25 HD22 ASN 3 2HD2 ASN 3 2.415 -14.780 -1.294
26 H THR 4 HN THR 4 -1.727 -12.853 1.533
27 HA THR 4 HA THR 4 -2.475 -14.201 -0.820
28 HB THR 4 HB THR 4 -4.657 -12.918 0.699
29 HG1 THR 4 HG1 THR 4 -4.217 -14.460 2.470
30 HG21 THR 4 3HG2 THR 4 -5.061 -14.708 -0.927
31 HG22 THR 4 1HG2 THR 4 -5.526 -15.221 0.713
32 HG23 THR 4 2HG2 THR 4 -3.998 -15.793 0.001
33 H ALA 5 HN ALA 5 -4.250 -13.548 -2.289
34 HA ALA 5 HA ALA 5 -3.695 -10.955 -3.403
35 HB1 ALA 5 HB1 ALA 5 -5.254 -11.622 -5.186
36 HB2 ALA 5 HB2 ALA 5 -5.671 -13.081 -4.256
37 HB3 ALA 5 HB3 ALA 5 -4.018 -12.865 -4.878
38 H THR 6 HN THR 6 -6.379 -12.497 -1.713
39 HA THR 6 HA THR 6 -8.383 -10.638 -2.090
40 HB THR 6 HB THR 6 -8.826 -12.712 -0.926
41 HG1 THR 6 HG1 THR 6 -10.209 -10.968 -0.416
42 HG21 THR 6 3HG2 THR 6 -6.700 -12.941 0.271
43 HG22 THR 6 1HG2 THR 6 -8.079 -13.088 1.386
44 HG23 THR 6 2HG2 THR 6 -7.144 -11.575 1.323
45 H CYS 7 HN CYS 7 -5.582 -10.473 0.009
46 HA CYS 7 HA CYS 7 -6.277 -8.452 1.746
47 HB2 CYS 7 HB1 CYS 7 -3.848 -9.672 0.802
48 HB3 CYS 7 HB2 CYS 7 -3.617 -7.913 0.952
49 H ALA 8 HN ALA 8 -5.480 -8.248 -1.647
50 HA ALA 8 HA ALA 8 -4.816 -5.635 -2.034
51 HB1 ALA 8 HB1 ALA 8 -5.906 -5.779 -4.238
52 HB2 ALA 8 HB2 ALA 8 -6.736 -7.263 -3.713
53 HB3 ALA 8 HB3 ALA 8 -4.962 -7.239 -3.859
54 H THR 9 HN THR 9 -8.048 -6.925 -1.427
55 HA THR 9 HA THR 9 -9.526 -4.598 -1.885
56 HB THR 9 HB THR 9 -10.427 -6.316 0.353
57 HG1 THR 9 HG1 THR 9 -9.996 -7.294 -2.287
58 HG21 THR 9 3HG2 THR 9 -11.895 -4.635 -0.659
59 HG22 THR 9 1HG2 THR 9 -12.529 -6.276 -0.926
60 HG23 THR 9 2HG2 THR 9 -11.701 -5.416 -2.246
61 H GLN 10 HN GLN 10 -8.022 -5.798 1.101
62 HA GLN 10 HA GLN 10 -8.921 -3.710 2.766
63 HB2 GLN 10 HB1 GLN 10 -7.298 -6.032 3.010
64 HB3 GLN 10 HB2 GLN 10 -6.374 -4.657 3.661
65 HG2 GLN 10 HG1 GLN 10 -8.258 -4.102 5.137
66 HG3 GLN 10 HG2 GLN 10 -9.162 -5.496 4.496
67 HE21 GLN 10 1HE2 GLN 10 -8.993 -5.636 7.038
68 HE22 GLN 10 2HE2 GLN 10 -7.755 -6.700 7.601
69 H ARG 11 HN ARG 11 -5.792 -4.191 1.135
70 HA ARG 11 HA ARG 11 -4.553 -1.846 1.958
71 HB2 ARG 11 HB1 ARG 11 -4.222 -3.754 -0.284
72 HB3 ARG 11 HB2 ARG 11 -3.509 -2.140 -0.525
73 HG2 ARG 11 HG1 ARG 11 -1.830 -2.552 0.896
74 HG3 ARG 11 HG2 ARG 11 -2.912 -3.288 2.103
75 HD2 ARG 11 HD1 ARG 11 -1.415 -4.998 1.412
76 HD3 ARG 11 HD2 ARG 11 -2.973 -5.342 0.621
77 HE ARG 11 HE ARG 11 -1.988 -4.946 -1.420
78 HH11 ARG 11 1HH1 ARG 11 0.127 -3.851 1.121
79 HH12 ARG 11 2HH1 ARG 11 1.472 -3.582 0.063
80 HH21 ARG 11 1HH2 ARG 11 -0.224 -4.596 -2.821
81 HH22 ARG 11 2HH2 ARG 11 1.272 -4.005 -2.180
82 H LEU 12 HN LEU 12 -6.092 -2.363 -1.223
83 HA LEU 12 HA LEU 12 -6.023 0.203 -2.172
84 HB2 LEU 12 HB1 LEU 12 -7.188 -2.162 -2.957
85 HB3 LEU 12 HB2 LEU 12 -8.592 -1.098 -2.695
86 HG LEU 12 HG LEU 12 -7.688 0.502 -4.300
87 HD11 LEU 12 1HD1 LEU 12 -5.716 -0.038 -5.647
88 HD12 LEU 12 2HD1 LEU 12 -5.440 -1.489 -4.654
89 HD13 LEU 12 3HD1 LEU 12 -5.308 0.128 -3.923
90 HD21 LEU 12 3HD2 LEU 12 -7.755 -2.331 -5.365
91 HD22 LEU 12 1HD2 LEU 12 -7.944 -0.848 -6.332
92 HD23 LEU 12 2HD2 LEU 12 -9.163 -1.273 -5.107
93 H ALA 13 HN ALA 13 -8.768 -1.225 -0.392
94 HA ALA 13 HA ALA 13 -10.370 0.995 -0.177
95 HB1 ALA 13 HB1 ALA 13 -11.310 -0.023 1.856
96 HB2 ALA 13 HB2 ALA 13 -9.934 -1.151 1.910
97 HB3 ALA 13 HB3 ALA 13 -11.083 -1.213 0.552
98 H ASN 14 HN ASN 14 -7.536 0.161 1.740
99 HA ASN 14 HA ASN 14 -7.857 2.198 3.687
100 HB2 ASN 14 HB1 ASN 14 -6.346 0.052 3.677
101 HB3 ASN 14 HB2 ASN 14 -5.158 1.138 2.915
102 HD21 ASN 14 1HD2 ASN 14 -6.687 0.186 5.819
103 HD22 ASN 14 2HD2 ASN 14 -5.898 1.304 6.876
104 H PHE 15 HN PHE 15 -6.196 2.035 0.586
105 HA PHE 15 HA PHE 15 -4.951 4.599 0.849
106 HB2 PHE 15 HB1 PHE 15 -3.777 3.239 -0.605
107 HB3 PHE 15 HB2 PHE 15 -5.259 2.580 -1.339
108 HD1 PHE 15 HD1 PHE 15 -3.320 5.761 -1.059
109 HD2 PHE 15 HD2 PHE 15 -5.931 3.356 -3.409
110 HE1 PHE 15 HE1 PHE 15 -3.099 7.349 -2.925
111 HE2 PHE 15 HE2 PHE 15 -5.712 4.940 -5.279
112 HZ PHE 15 HZ PHE 15 -4.293 6.940 -5.039
113 H LEU 16 HN LEU 16 -8.039 3.464 -0.163
114 HA LEU 16 HA LEU 16 -8.712 5.791 -1.719
115 HB2 LEU 16 HB1 LEU 16 -10.067 3.289 -0.866
116 HB3 LEU 16 HB2 LEU 16 -11.106 4.687 -1.233
117 HG LEU 16 HG LEU 16 -9.929 4.787 -3.482
118 HD11 LEU 16 1HD1 LEU 16 -8.871 2.722 -4.263
119 HD12 LEU 16 2HD1 LEU 16 -9.017 2.033 -2.629
120 HD13 LEU 16 3HD1 LEU 16 -7.973 3.447 -2.909
121 HD21 LEU 16 3HD2 LEU 16 -11.556 2.326 -2.807
122 HD22 LEU 16 1HD2 LEU 16 -11.315 3.004 -4.435
123 HD23 LEU 16 2HD2 LEU 16 -12.202 3.936 -3.206
124 H VAL 17 HN VAL 17 -9.411 4.585 1.533
125 HA VAL 17 HA VAL 17 -11.079 6.829 2.206
126 HB VAL 17 HB VAL 17 -11.529 4.733 3.299
127 HG11 VAL 17 1HG1 VAL 17 -9.929 3.687 4.844
128 HG12 VAL 17 2HG1 VAL 17 -8.716 4.911 4.398
129 HG13 VAL 17 3HG1 VAL 17 -9.300 3.752 3.180
130 HG21 VAL 17 3HG2 VAL 17 -10.335 6.721 5.244
131 HG22 VAL 17 1HG2 VAL 17 -11.484 5.427 5.659
132 HG23 VAL 17 2HG2 VAL 17 -11.988 6.755 4.586
133 H HIS 18 HN HIS 18 -7.711 5.981 2.530
134 HA HIS 18 HA HIS 18 -7.225 8.393 4.132
135 HB2 HIS 18 HB1 HIS 18 -5.443 6.015 3.549
136 HB3 HIS 18 HB2 HIS 18 -4.964 7.432 4.515
137 HD1 HIS 18 HD1 HIS 18 -6.136 7.702 6.854
138 HD2 HIS 18 HD2 HIS 18 -6.996 4.144 4.888
139 HE1 HIS 18 HE1 HIS 18 -7.162 6.205 8.593
140 H SER 19 HN SER 19 -7.758 9.474 1.966
141 HA SER 19 HA SER 19 -6.148 9.376 -0.270
142 HB2 SER 19 HB1 SER 19 -6.886 11.654 -0.762
143 HB3 SER 19 HB2 SER 19 -8.237 10.691 -0.116
144 HG SER 19 HG SER 19 -8.265 12.607 0.984
145 H SER 20 HN SER 20 -5.500 10.795 2.841
146 HA SER 20 HA SER 20 -3.442 12.557 2.218
147 HB2 SER 20 HB1 SER 20 -4.182 10.964 4.640
148 HB3 SER 20 HB2 SER 20 -2.585 11.750 4.604
149 HG SER 20 HG SER 20 -4.962 12.853 5.109
150 H ASN 21 HN ASN 21 -3.419 9.065 2.519
151 HA ASN 21 HA ASN 21 -0.726 8.527 2.744
152 HB2 ASN 21 HB1 ASN 21 -3.005 7.105 1.407
153 HB3 ASN 21 HB2 ASN 21 -1.348 6.486 1.202
154 HD21 ASN 21 1HD2 ASN 21 -0.877 4.940 2.572
155 HD22 ASN 21 2HD2 ASN 21 -1.442 4.793 4.198
156 H ASN 22 HN ASN 22 -2.508 9.673 -0.029
157 HA ASN 22 HA ASN 22 -0.721 9.061 -2.076
158 HB2 ASN 22 HB1 ASN 22 -2.822 9.873 -2.746
159 HB3 ASN 22 HB2 ASN 22 -2.705 11.295 -1.682
160 HD21 ASN 22 1HD2 ASN 22 -1.371 13.023 -2.304
161 HD22 ASN 22 2HD2 ASN 22 -0.890 13.252 -3.948
162 H PHE 23 HN PHE 23 -0.787 11.808 0.149
163 HA PHE 23 HA PHE 23 1.587 12.964 -1.058
164 HB2 PHE 23 HB1 PHE 23 -0.580 13.983 0.384
165 HB3 PHE 23 HB2 PHE 23 0.809 14.126 1.489
166 HD1 PHE 23 HD2 PHE 23 3.016 14.706 -0.311
167 HD2 PHE 23 HD1 PHE 23 -0.999 16.112 -0.419
168 HE1 PHE 23 HE2 PHE 23 3.760 16.725 -1.503
169 HE2 PHE 23 HE1 PHE 23 -0.263 18.134 -1.613
170 HZ PHE 23 HZ PHE 23 2.120 18.443 -2.156
171 H GLY 24 HN GLY 24 0.649 11.582 2.085
172 HA2 GLY 24 HA1 GLY 24 3.123 11.798 3.359
173 HA3 GLY 24 HA2 GLY 24 1.901 10.590 3.733
174 H ALA 25 HN ALA 25 2.048 9.540 0.940
175 HA ALA 25 HA ALA 25 3.777 7.413 1.350
176 HB1 ALA 25 HB1 ALA 25 3.525 6.934 -1.051
177 HB2 ALA 25 HB2 ALA 25 2.806 8.546 -1.282
178 HB3 ALA 25 HB3 ALA 25 1.972 7.334 -0.280
179 H ILE 26 HN ILE 26 4.425 10.595 0.119
180 HA ILE 26 HA ILE 26 6.997 9.908 -0.992
181 HB ILE 26 HB ILE 26 5.782 12.617 -0.437
182 HG12 ILE 26 1HG1 ILE 26 5.901 12.333 -3.150
183 HG13 ILE 26 2HG1 ILE 26 5.548 10.665 -2.637
184 HG21 ILE 26 1HG2 ILE 26 7.508 13.483 -1.957
185 HG22 ILE 26 2HG2 ILE 26 8.219 11.855 -2.058
186 HG23 ILE 26 3HG2 ILE 26 8.214 12.729 -0.508
187 HD11 ILE 26 3HD1 ILE 26 3.578 11.458 -1.411
188 HD12 ILE 26 1HD1 ILE 26 3.495 11.896 -3.134
189 HD13 ILE 26 2HD1 ILE 26 3.930 13.126 -1.924
190 H LEU 27 HN LEU 27 5.743 11.015 2.048
191 HA LEU 27 HA LEU 27 8.262 11.940 3.075
192 HB2 LEU 27 HB1 LEU 27 5.514 11.520 4.168
193 HB3 LEU 27 HB2 LEU 27 6.876 11.660 5.306
194 HG LEU 27 HG LEU 27 5.615 13.782 4.896
195 HD11 LEU 27 1HD1 LEU 27 7.616 15.179 4.675
196 HD12 LEU 27 2HD1 LEU 27 8.533 13.766 4.101
197 HD13 LEU 27 3HD1 LEU 27 7.895 13.798 5.762
198 HD21 LEU 27 3HD2 LEU 27 6.875 13.573 2.152
199 HD22 LEU 27 1HD2 LEU 27 6.022 14.993 2.803
200 HD23 LEU 27 2HD2 LEU 27 5.136 13.475 2.522
201 H SER 28 HN SER 28 6.288 9.021 3.438
202 HA SER 28 HA SER 28 8.279 7.780 5.145
203 HB2 SER 28 HB1 SER 28 5.746 6.584 3.981
204 HB3 SER 28 HB2 SER 28 6.729 5.913 5.304
205 HG SER 28 HG SER 28 6.101 7.594 6.609
206 H SER 29 HN SER 29 7.059 7.497 1.852
207 HA SER 29 HA SER 29 7.829 6.399 0.013
208 HB2 SER 29 HB1 SER 29 10.564 6.024 1.095
209 HB3 SER 29 HB2 SER 29 10.032 6.745 -0.443
210 HG SER 29 HG SER 29 10.917 8.327 0.940
211 H THR 30 HN THR 30 6.625 4.794 1.955
212 HA THR 30 HA THR 30 8.250 2.407 2.261
213 HB THR 30 HB THR 30 6.827 2.996 4.126
214 HG1 THR 30 HG1 THR 30 5.507 0.781 2.977
215 HG21 THR 30 3HG2 THR 30 5.092 4.227 2.911
216 HG22 THR 30 1HG2 THR 30 4.374 2.969 3.945
217 HG23 THR 30 2HG2 THR 30 4.514 2.707 2.191
218 H ASN 31 HN ASN 31 5.736 3.626 0.199
219 HA ASN 31 HA ASN 31 5.421 0.982 -1.044
220 HB2 ASN 31 HB1 ASN 31 3.433 2.023 -2.179
221 HB3 ASN 31 HB2 ASN 31 3.308 1.918 -0.406
222 HD21 ASN 31 1HD2 ASN 31 2.948 3.900 -3.051
223 HD22 ASN 31 2HD2 ASN 31 2.936 5.430 -2.249
224 H VAL 32 HN VAL 32 6.505 4.244 -1.592
225 HA VAL 32 HA VAL 32 7.005 3.657 -4.424
226 HB VAL 32 HB VAL 32 5.836 5.754 -4.003
227 HG11 VAL 32 1HG1 VAL 32 6.930 7.599 -2.801
228 HG12 VAL 32 2HG1 VAL 32 8.275 6.513 -2.379
229 HG13 VAL 32 3HG1 VAL 32 6.643 6.197 -1.743
230 HG21 VAL 32 3HG2 VAL 32 8.698 6.176 -4.896
231 HG22 VAL 32 1HG2 VAL 32 7.338 7.277 -5.219
232 HG23 VAL 32 2HG2 VAL 32 7.344 5.641 -5.918
233 H GLY 33 HN GLY 33 8.597 4.439 -1.398
234 HA2 GLY 33 HA1 GLY 33 11.205 4.686 -2.633
235 HA3 GLY 33 HA2 GLY 33 10.851 4.755 -0.913
236 H SER 34 HN SER 34 9.760 2.432 -0.275
237 HA SER 34 HA SER 34 11.873 0.656 -0.098
238 HB2 SER 34 HB1 SER 34 9.483 0.783 1.096
239 HB3 SER 34 HB2 SER 34 9.113 -0.484 -0.099
240 HG SER 34 HG SER 34 10.314 -1.832 0.992
241 H ASN 35 HN ASN 35 9.481 1.022 -2.607
242 HA ASN 35 HA ASN 35 9.606 -1.415 -3.898
243 HB2 ASN 35 HB1 ASN 35 8.572 1.135 -4.452
244 HB3 ASN 35 HB2 ASN 35 9.631 0.744 -5.829
245 HD21 ASN 35 1HD2 ASN 35 6.747 -0.095 -4.088
246 HD22 ASN 35 2HD2 ASN 35 6.114 -1.203 -5.254
247 H THR 36 HN THR 36 12.090 0.865 -3.467
248 HA THR 36 HA THR 36 13.794 -0.626 -5.342
249 HB THR 36 HB THR 36 14.876 1.956 -5.225
250 HG1 THR 36 HG1 THR 36 12.981 3.115 -6.122
251 HG21 THR 36 3HG2 THR 36 14.986 0.424 -7.135
252 HG22 THR 36 1HG2 THR 36 14.347 2.010 -7.627
253 HG23 THR 36 2HG2 THR 36 13.239 0.635 -7.407
254 H TYR 37 HN TYR 37 13.769 1.666 -2.623
255 HA TYR 37 HA TYR 37 16.157 0.296 -1.572
256 HB2 TYR 37 HB1 TYR 37 15.417 3.224 -1.486
257 HB3 TYR 37 HB2 TYR 37 16.660 2.509 -0.431
258 HD1 TYR 37 HD1 TYR 37 15.794 3.364 -3.915
259 HD2 TYR 37 HD2 TYR 37 18.813 1.881 -1.310
260 HE1 TYR 37 HE1 TYR 37 17.465 3.651 -5.699
261 HE2 TYR 37 HE2 TYR 37 20.493 2.164 -3.085
262 HH TYR 37 HH TYR 37 20.888 2.875 -5.150
263 HN1 NH2 38 HN1 NH2 37 13.261 2.591 -0.406
264 HN2 NH2 38 HN2 NH2 37 12.992 1.621 1.151
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 -4.071 -13.003 10.736
2 H2 LYS 1 HT2 LYS 1 -5.148 -13.663 9.530
3 H3 LYS 1 HT3 LYS 1 -4.901 -11.936 9.629
4 HA LYS 1 HA LYS 1 -2.627 -12.204 9.018
5 HB2 LYS 1 HB1 LYS 1 -1.779 -14.385 8.266
6 HB3 LYS 1 HB2 LYS 1 -2.229 -14.407 9.988
7 HG2 LYS 1 HG1 LYS 1 -3.807 -15.969 9.677
8 HG3 LYS 1 HG2 LYS 1 -4.395 -15.216 8.175
9 HD2 LYS 1 HD1 LYS 1 -2.282 -16.135 7.070
10 HD3 LYS 1 HD2 LYS 1 -2.070 -17.115 8.541
11 HE2 LYS 1 HE1 LYS 1 -3.292 -18.618 7.357
12 HE3 LYS 1 HE2 LYS 1 -4.652 -17.671 8.006
13 HZ1 LYS 1 HZ1 LYS 1 -5.009 -17.917 5.697
14 HZ2 LYS 1 HZ2 LYS 1 -3.426 -17.472 5.307
15 HZ3 LYS 1 HZ3 LYS 1 -4.504 -16.318 5.916
16 H CYS 2 HN CYS 2 -2.058 -12.034 6.827
17 HA CYS 2 HA CYS 2 -4.193 -11.525 5.059
18 HB2 CYS 2 HB1 CYS 2 -1.382 -11.126 5.117
19 HB3 CYS 2 HB2 CYS 2 -1.767 -11.969 3.598
20 H ASN 3 HN ASN 3 -5.064 -12.673 3.392
21 HA ASN 3 HA ASN 3 -4.762 -15.531 3.486
22 HB2 ASN 3 HB1 ASN 3 -6.673 -13.616 2.418
23 HB3 ASN 3 HB2 ASN 3 -6.321 -14.913 1.250
24 HD21 ASN 3 1HD2 ASN 3 -6.025 -17.108 2.677
25 HD22 ASN 3 2HD2 ASN 3 -7.432 -17.472 3.610
26 H THR 4 HN THR 4 -4.780 -13.407 0.631
27 HA THR 4 HA THR 4 -2.203 -14.238 -0.263
28 HB THR 4 HB THR 4 -3.685 -15.153 -2.446
29 HG1 THR 4 HG1 THR 4 -5.468 -15.883 -1.567
30 HG21 THR 4 3HG2 THR 4 -1.501 -15.993 -1.716
31 HG22 THR 4 1HG2 THR 4 -2.663 -17.327 -1.916
32 HG23 THR 4 2HG2 THR 4 -2.261 -16.733 -0.287
33 H ALA 5 HN ALA 5 -5.207 -13.572 -2.053
34 HA ALA 5 HA ALA 5 -3.941 -11.115 -3.072
35 HB1 ALA 5 HB1 ALA 5 -5.325 -11.378 -5.090
36 HB2 ALA 5 HB2 ALA 5 -5.979 -12.894 -4.425
37 HB3 ALA 5 HB3 ALA 5 -4.250 -12.771 -4.826
38 H THR 6 HN THR 6 -6.765 -12.516 -1.609
39 HA THR 6 HA THR 6 -8.696 -10.594 -2.036
40 HB THR 6 HB THR 6 -9.685 -11.263 0.124
41 HG1 THR 6 HG1 THR 6 -7.587 -13.085 0.544
42 HG21 THR 6 3HG2 THR 6 -10.043 -12.676 -1.848
43 HG22 THR 6 1HG2 THR 6 -9.945 -13.660 -0.369
44 HG23 THR 6 2HG2 THR 6 -8.554 -13.577 -1.475
45 H CYS 7 HN CYS 7 -5.894 -10.472 0.043
46 HA CYS 7 HA CYS 7 -6.541 -8.446 1.796
47 HB2 CYS 7 HB1 CYS 7 -3.910 -8.995 0.408
48 HB3 CYS 7 HB2 CYS 7 -4.103 -7.881 1.783
49 H ALA 8 HN ALA 8 -5.774 -8.245 -1.605
50 HA ALA 8 HA ALA 8 -5.086 -5.639 -1.992
51 HB1 ALA 8 HB1 ALA 8 -6.192 -5.766 -4.188
52 HB2 ALA 8 HB2 ALA 8 -7.032 -7.244 -3.662
53 HB3 ALA 8 HB3 ALA 8 -5.260 -7.237 -3.819
54 H THR 9 HN THR 9 -8.318 -6.898 -1.336
55 HA THR 9 HA THR 9 -9.784 -4.561 -1.791
56 HB THR 9 HB THR 9 -10.660 -6.284 0.460
57 HG1 THR 9 HG1 THR 9 -10.459 -8.086 -0.617
58 HG21 THR 9 3HG2 THR 9 -12.130 -4.570 -0.493
59 HG22 THR 9 1HG2 THR 9 -12.791 -6.200 -0.767
60 HG23 THR 9 2HG2 THR 9 -11.984 -5.332 -2.095
61 H GLN 10 HN GLN 10 -8.264 -5.768 1.185
62 HA GLN 10 HA GLN 10 -9.124 -3.667 2.853
63 HB2 GLN 10 HB1 GLN 10 -7.528 -6.004 3.089
64 HB3 GLN 10 HB2 GLN 10 -6.573 -4.639 3.717
65 HG2 GLN 10 HG1 GLN 10 -7.659 -4.945 5.638
66 HG3 GLN 10 HG2 GLN 10 -9.072 -4.229 4.826
67 HE21 GLN 10 1HE2 GLN 10 -10.649 -5.383 5.792
68 HE22 GLN 10 2HE2 GLN 10 -10.833 -7.096 5.653
69 H ARG 11 HN ARG 11 -6.027 -4.176 1.172
70 HA ARG 11 HA ARG 11 -4.747 -1.849 1.981
71 HB2 ARG 11 HB1 ARG 11 -4.471 -3.766 -0.252
72 HB3 ARG 11 HB2 ARG 11 -3.772 -2.154 -0.540
73 HG2 ARG 11 HG1 ARG 11 -1.971 -2.757 0.606
74 HG3 ARG 11 HG2 ARG 11 -2.979 -2.950 2.061
75 HD2 ARG 11 HD1 ARG 11 -2.632 -5.098 -0.047
76 HD3 ARG 11 HD2 ARG 11 -1.626 -4.976 1.417
77 HE ARG 11 HE ARG 11 -4.365 -5.885 1.248
78 HH11 ARG 11 1HH1 ARG 11 -1.856 -4.624 3.304
79 HH12 ARG 11 2HH1 ARG 11 -2.551 -5.256 4.760
80 HH21 ARG 11 1HH2 ARG 11 -5.289 -6.724 3.157
81 HH22 ARG 11 2HH2 ARG 11 -4.503 -6.451 4.675
82 H LEU 12 HN LEU 12 -6.347 -2.335 -1.176
83 HA LEU 12 HA LEU 12 -6.267 0.234 -2.112
84 HB2 LEU 12 HB1 LEU 12 -7.468 -2.116 -2.890
85 HB3 LEU 12 HB2 LEU 12 -8.857 -1.040 -2.601
86 HG LEU 12 HG LEU 12 -7.965 0.561 -4.212
87 HD11 LEU 12 1HD1 LEU 12 -6.017 0.009 -5.594
88 HD12 LEU 12 2HD1 LEU 12 -5.740 -1.450 -4.613
89 HD13 LEU 12 3HD1 LEU 12 -5.581 0.162 -3.875
90 HD21 LEU 12 3HD2 LEU 12 -8.078 -2.265 -5.292
91 HD22 LEU 12 1HD2 LEU 12 -8.265 -0.775 -6.247
92 HD23 LEU 12 2HD2 LEU 12 -9.469 -1.192 -5.004
93 H ALA 13 HN ALA 13 -8.997 -1.177 -0.296
94 HA ALA 13 HA ALA 13 -10.574 1.057 -0.044
95 HB1 ALA 13 HB1 ALA 13 -11.491 0.035 1.999
96 HB2 ALA 13 HB2 ALA 13 -10.123 -1.104 2.026
97 HB3 ALA 13 HB3 ALA 13 -11.294 -1.151 0.687
98 H ASN 14 HN ASN 14 -7.717 0.188 1.820
99 HA ASN 14 HA ASN 14 -7.987 2.219 3.784
100 HB2 ASN 14 HB1 ASN 14 -6.279 0.050 3.333
101 HB3 ASN 14 HB2 ASN 14 -5.226 1.483 3.251
102 HD21 ASN 14 1HD2 ASN 14 -7.585 -0.214 5.247
103 HD22 ASN 14 2HD2 ASN 14 -7.031 0.411 6.759
104 H PHE 15 HN PHE 15 -6.376 2.054 0.655
105 HA PHE 15 HA PHE 15 -5.105 4.607 0.910
106 HB2 PHE 15 HB1 PHE 15 -3.967 3.246 -0.569
107 HB3 PHE 15 HB2 PHE 15 -5.465 2.602 -1.282
108 HD1 PHE 15 HD2 PHE 15 -3.494 5.762 -1.021
109 HD2 PHE 15 HD1 PHE 15 -6.166 3.393 -3.338
110 HE1 PHE 15 HE2 PHE 15 -3.288 7.357 -2.884
111 HE2 PHE 15 HE1 PHE 15 -5.963 4.984 -5.205
112 HZ PHE 15 HZ PHE 15 -4.524 6.969 -4.978
113 H LEU 16 HN LEU 16 -8.220 3.504 -0.057
114 HA LEU 16 HA LEU 16 -8.898 5.843 -1.592
115 HB2 LEU 16 HB1 LEU 16 -10.265 3.354 -0.725
116 HB3 LEU 16 HB2 LEU 16 -11.293 4.764 -1.076
117 HG LEU 16 HG LEU 16 -10.137 4.854 -3.339
118 HD11 LEU 16 1HD1 LEU 16 -9.129 2.771 -4.139
119 HD12 LEU 16 2HD1 LEU 16 -9.269 2.081 -2.504
120 HD13 LEU 16 3HD1 LEU 16 -8.201 3.475 -2.794
121 HD21 LEU 16 3HD2 LEU 16 -11.802 2.425 -2.649
122 HD22 LEU 16 1HD2 LEU 16 -11.569 3.100 -4.279
123 HD23 LEU 16 2HD2 LEU 16 -12.422 4.048 -3.037
124 H VAL 17 HN VAL 17 -9.556 4.629 1.665
125 HA VAL 17 HA VAL 17 -11.191 6.884 2.375
126 HB VAL 17 HB VAL 17 -11.643 4.788 3.466
127 HG11 VAL 17 1HG1 VAL 17 -10.028 3.721 4.981
128 HG12 VAL 17 2HG1 VAL 17 -8.811 4.935 4.520
129 HG13 VAL 17 3HG1 VAL 17 -9.426 3.787 3.307
130 HG21 VAL 17 3HG2 VAL 17 -10.401 6.755 5.402
131 HG22 VAL 17 1HG2 VAL 17 -11.554 5.469 5.828
132 HG23 VAL 17 2HG2 VAL 17 -12.064 6.807 4.771
133 H HIS 18 HN HIS 18 -7.826 6.006 2.640
134 HA HIS 18 HA HIS 18 -7.292 8.406 4.246
135 HB2 HIS 18 HB1 HIS 18 -5.542 6.015 3.623
136 HB3 HIS 18 HB2 HIS 18 -5.036 7.422 4.589
137 HD1 HIS 18 HD1 HIS 18 -6.166 7.691 6.946
138 HD2 HIS 18 HD2 HIS 18 -7.089 4.151 4.978
139 HE1 HIS 18 HE1 HIS 18 -7.178 6.193 8.696
140 H SER 19 HN SER 19 -7.851 9.501 2.095
141 HA SER 19 HA SER 19 -6.277 9.400 -0.167
142 HB2 SER 19 HB1 SER 19 -8.376 10.939 0.635
143 HB3 SER 19 HB2 SER 19 -7.053 12.130 0.674
144 HG SER 19 HG SER 19 -6.582 11.176 -1.536
145 H SER 20 HN SER 20 -5.566 10.797 2.939
146 HA SER 20 HA SER 20 -3.504 12.545 2.290
147 HB2 SER 20 HB1 SER 20 -4.575 11.356 4.661
148 HB3 SER 20 HB2 SER 20 -2.802 11.209 4.715
149 HG SER 20 HG SER 20 -2.608 13.368 4.691
150 H ASN 21 HN ASN 21 -3.507 9.051 2.575
151 HA ASN 21 HA ASN 21 -0.817 8.488 2.755
152 HB2 ASN 21 HB1 ASN 21 -3.128 7.093 1.451
153 HB3 ASN 21 HB2 ASN 21 -1.481 6.459 1.216
154 HD21 ASN 21 1HD2 ASN 21 -1.006 4.899 2.572
155 HD22 ASN 21 2HD2 ASN 21 -1.545 4.753 4.206
156 H ASN 22 HN ASN 22 -2.631 9.662 0.017
157 HA ASN 22 HA ASN 22 -0.886 9.044 -2.062
158 HB2 ASN 22 HB1 ASN 22 -2.988 9.878 -2.695
159 HB3 ASN 22 HB2 ASN 22 -2.841 11.294 -1.626
160 HD21 ASN 22 1HD2 ASN 22 -1.496 13.013 -2.263
161 HD22 ASN 22 2HD2 ASN 22 -1.042 13.242 -3.914
162 H PHE 23 HN PHE 23 -0.886 11.780 0.176
163 HA PHE 23 HA PHE 23 1.478 12.918 -1.064
164 HB2 PHE 23 HB1 PHE 23 -0.295 14.402 -0.237
165 HB3 PHE 23 HB2 PHE 23 -0.055 13.763 1.407
166 HD1 PHE 23 HD1 PHE 23 2.387 14.841 -1.206
167 HD2 PHE 23 HD2 PHE 23 0.808 15.475 2.694
168 HE1 PHE 23 HE1 PHE 23 4.106 16.554 -0.793
169 HE2 PHE 23 HE2 PHE 23 2.522 17.190 3.114
170 HZ PHE 23 HZ PHE 23 4.174 17.732 1.368
171 H GLY 24 HN GLY 24 0.581 11.527 2.087
172 HA2 GLY 24 HA1 GLY 24 3.079 11.711 3.318
173 HA3 GLY 24 HA2 GLY 24 1.851 10.516 3.708
174 H ALA 25 HN ALA 25 1.940 9.486 0.901
175 HA ALA 25 HA ALA 25 3.655 7.336 1.274
176 HB1 ALA 25 HB1 ALA 25 3.352 6.868 -1.122
177 HB2 ALA 25 HB2 ALA 25 2.645 8.488 -1.334
178 HB3 ALA 25 HB3 ALA 25 1.818 7.281 -0.321
179 H ILE 26 HN ILE 26 4.310 10.517 0.043
180 HA ILE 26 HA ILE 26 6.852 9.809 -1.121
181 HB ILE 26 HB ILE 26 5.677 12.527 -0.529
182 HG12 ILE 26 1HG1 ILE 26 5.731 12.257 -3.246
183 HG13 ILE 26 2HG1 ILE 26 5.378 10.588 -2.734
184 HG21 ILE 26 1HG2 ILE 26 7.381 13.382 -2.082
185 HG22 ILE 26 2HG2 ILE 26 8.070 11.745 -2.206
186 HG23 ILE 26 3HG2 ILE 26 8.108 12.612 -0.652
187 HD11 ILE 26 3HD1 ILE 26 3.442 11.389 -1.458
188 HD12 ILE 26 1HD1 ILE 26 3.323 11.837 -3.177
189 HD13 ILE 26 2HD1 ILE 26 3.795 13.057 -1.970
190 H LEU 27 HN LEU 27 5.671 10.875 1.955
191 HA LEU 27 HA LEU 27 8.234 11.762 2.929
192 HB2 LEU 27 HB1 LEU 27 5.548 12.030 3.722
193 HB3 LEU 27 HB2 LEU 27 6.359 11.124 5.023
194 HG LEU 27 HG LEU 27 7.123 13.858 3.978
195 HD11 LEU 27 1HD1 LEU 27 6.501 14.608 6.224
196 HD12 LEU 27 2HD1 LEU 27 5.995 12.952 6.634
197 HD13 LEU 27 3HD1 LEU 27 5.124 13.863 5.378
198 HD21 LEU 27 3HD2 LEU 27 8.391 12.174 6.150
199 HD22 LEU 27 1HD2 LEU 27 8.807 13.860 5.759
200 HD23 LEU 27 2HD2 LEU 27 9.113 12.571 4.572
201 H SER 28 HN SER 28 6.204 8.889 3.260
202 HA SER 28 HA SER 28 8.133 7.601 5.004
203 HB2 SER 28 HB1 SER 28 5.403 6.908 3.960
204 HB3 SER 28 HB2 SER 28 6.446 5.618 4.607
205 HG SER 28 HG SER 28 5.775 8.011 6.000
206 H SER 29 HN SER 29 6.961 7.333 1.686
207 HA SER 29 HA SER 29 7.787 6.279 -0.152
208 HB2 SER 29 HB1 SER 29 10.460 5.739 0.987
209 HB3 SER 29 HB2 SER 29 10.006 6.585 -0.513
210 HG SER 29 HG SER 29 10.780 8.170 0.765
211 H THR 30 HN THR 30 6.467 4.696 1.770
212 HA THR 30 HA THR 30 7.904 2.285 2.285
213 HB THR 30 HB THR 30 5.985 2.976 3.670
214 HG1 THR 30 HG1 THR 30 6.067 0.880 3.990
215 HG21 THR 30 3HG2 THR 30 4.570 3.927 1.911
216 HG22 THR 30 1HG2 THR 30 3.692 2.681 2.830
217 HG23 THR 30 2HG2 THR 30 4.339 2.305 1.215
218 H ASN 31 HN ASN 31 5.873 3.441 -0.313
219 HA ASN 31 HA ASN 31 6.124 0.828 -1.648
220 HB2 ASN 31 HB1 ASN 31 3.816 1.334 -1.417
221 HB3 ASN 31 HB2 ASN 31 4.067 3.026 -1.910
222 HD21 ASN 31 1HD2 ASN 31 4.426 3.490 -4.097
223 HD22 ASN 31 2HD2 ASN 31 3.986 2.380 -5.346
224 H VAL 32 HN VAL 32 6.798 4.226 -1.854
225 HA VAL 32 HA VAL 32 7.650 4.058 -4.632
226 HB VAL 32 HB VAL 32 7.880 6.404 -2.743
227 HG11 VAL 32 1HG1 VAL 32 8.040 7.730 -4.806
228 HG12 VAL 32 2HG1 VAL 32 7.986 6.230 -5.762
229 HG13 VAL 32 3HG1 VAL 32 9.361 6.544 -4.676
230 HG21 VAL 32 3HG2 VAL 32 5.687 5.734 -4.719
231 HG22 VAL 32 1HG2 VAL 32 5.831 7.254 -3.806
232 HG23 VAL 32 2HG2 VAL 32 5.545 5.724 -2.945
233 H GLY 33 HN GLY 33 9.099 4.732 -1.451
234 HA2 GLY 33 HA1 GLY 33 11.769 4.826 -2.507
235 HA3 GLY 33 HA2 GLY 33 11.318 4.827 -0.809
236 H SER 34 HN SER 34 9.966 2.471 -0.542
237 HA SER 34 HA SER 34 11.979 0.609 -0.169
238 HB2 SER 34 HB1 SER 34 9.467 0.713 0.667
239 HB3 SER 34 HB2 SER 34 9.201 -0.367 -0.724
240 HG SER 34 HG SER 34 11.250 -0.869 1.166
241 H ASN 35 HN ASN 35 10.089 1.293 -3.007
242 HA ASN 35 HA ASN 35 10.342 -1.035 -4.469
243 HB2 ASN 35 HB1 ASN 35 9.420 1.517 -4.964
244 HB3 ASN 35 HB2 ASN 35 10.807 1.379 -6.071
245 HD21 ASN 35 1HD2 ASN 35 7.783 1.380 -6.391
246 HD22 ASN 35 2HD2 ASN 35 7.471 0.015 -7.402
247 H THR 36 HN THR 36 12.800 1.058 -3.404
248 HA THR 36 HA THR 36 14.757 -0.395 -5.048
249 HB THR 36 HB THR 36 16.018 1.992 -4.756
250 HG1 THR 36 HG1 THR 36 13.239 2.527 -5.098
251 HG21 THR 36 3HG2 THR 36 15.862 0.686 -6.822
252 HG22 THR 36 1HG2 THR 36 15.487 2.399 -7.122
253 HG23 THR 36 2HG2 THR 36 14.172 1.204 -7.025
254 H TYR 37 HN TYR 37 14.238 1.672 -2.212
255 HA TYR 37 HA TYR 37 16.462 0.261 -0.887
256 HB2 TYR 37 HB1 TYR 37 15.477 3.084 -0.401
257 HB3 TYR 37 HB2 TYR 37 16.781 2.271 0.498
258 HD1 TYR 37 HD2 TYR 37 15.816 3.458 -2.901
259 HD2 TYR 37 HD1 TYR 37 18.989 2.325 -0.305
260 HE1 TYR 37 HE2 TYR 37 17.449 4.247 -4.563
261 HE2 TYR 37 HE1 TYR 37 20.632 3.113 -1.958
262 HH TYR 37 HH TYR 37 20.308 3.441 -4.859
263 HN1 NH2 38 HN1 NH2 37 13.371 2.366 0.124
264 HN2 NH2 38 HN2 NH2 37 12.848 1.150 1.422
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 5.270 -9.828 1.802
2 H2 LYS 1 HT2 LYS 1 4.610 -10.883 0.576
3 H3 LYS 1 HT3 LYS 1 3.988 -10.943 2.207
4 HA LYS 1 HA LYS 1 3.167 -8.729 1.999
5 HB2 LYS 1 HB1 LYS 1 4.236 -8.917 -0.827
6 HB3 LYS 1 HB2 LYS 1 3.174 -7.623 -0.223
7 HG2 LYS 1 HG1 LYS 1 5.605 -8.063 1.380
8 HG3 LYS 1 HG2 LYS 1 5.901 -7.518 -0.289
9 HD2 LYS 1 HD1 LYS 1 4.402 -5.615 0.048
10 HD3 LYS 1 HD2 LYS 1 4.046 -6.172 1.701
11 HE2 LYS 1 HE1 LYS 1 6.116 -5.557 2.504
12 HE3 LYS 1 HE2 LYS 1 6.903 -5.729 0.916
13 HZ1 LYS 1 HZ1 LYS 1 5.362 -3.726 0.327
14 HZ2 LYS 1 HZ2 LYS 1 6.823 -3.469 1.139
15 HZ3 LYS 1 HZ3 LYS 1 5.367 -3.468 1.999
16 H CYS 2 HN CYS 2 1.137 -8.186 0.746
17 HA CYS 2 HA CYS 2 -0.091 -10.615 -0.376
18 HB2 CYS 2 HB1 CYS 2 -0.689 -9.790 2.096
19 HB3 CYS 2 HB2 CYS 2 -1.799 -8.742 1.181
20 H ASN 3 HN ASN 3 0.962 -8.852 -2.082
21 HA ASN 3 HA ASN 3 -1.144 -7.000 -2.906
22 HB2 ASN 3 HB1 ASN 3 0.514 -6.132 -4.506
23 HB3 ASN 3 HB2 ASN 3 1.135 -6.120 -2.838
24 HD21 ASN 3 1HD2 ASN 3 2.655 -7.731 -2.230
25 HD22 ASN 3 2HD2 ASN 3 3.647 -8.506 -3.413
26 H THR 4 HN THR 4 -1.371 -9.943 -3.148
27 HA THR 4 HA THR 4 -2.282 -9.996 -5.891
28 HB THR 4 HB THR 4 -0.390 -12.185 -5.056
29 HG1 THR 4 HG1 THR 4 1.146 -11.051 -6.424
30 HG21 THR 4 3HG2 THR 4 -1.956 -12.702 -6.869
31 HG22 THR 4 1HG2 THR 4 -0.287 -12.603 -7.478
32 HG23 THR 4 2HG2 THR 4 -1.415 -11.255 -7.752
33 H ALA 5 HN ALA 5 -3.747 -10.053 -3.558
34 HA ALA 5 HA ALA 5 -5.176 -12.524 -3.876
35 HB1 ALA 5 HB1 ALA 5 -5.047 -13.227 -1.520
36 HB2 ALA 5 HB2 ALA 5 -3.852 -11.944 -1.217
37 HB3 ALA 5 HB3 ALA 5 -3.461 -13.281 -2.325
38 H THR 6 HN THR 6 -6.788 -12.510 -1.694
39 HA THR 6 HA THR 6 -8.659 -10.535 -2.251
40 HB THR 6 HB THR 6 -9.308 -12.565 -1.103
41 HG1 THR 6 HG1 THR 6 -10.609 -10.732 -0.703
42 HG21 THR 6 3HG2 THR 6 -7.287 -12.912 0.236
43 HG22 THR 6 1HG2 THR 6 -8.743 -12.953 1.258
44 HG23 THR 6 2HG2 THR 6 -7.708 -11.506 1.242
45 H CYS 7 HN CYS 7 -5.880 -10.442 -0.187
46 HA CYS 7 HA CYS 7 -6.502 -8.456 1.621
47 HB2 CYS 7 HB1 CYS 7 -3.871 -8.796 0.162
48 HB3 CYS 7 HB2 CYS 7 -4.115 -7.942 1.704
49 H ALA 8 HN ALA 8 -5.828 -8.182 -1.793
50 HA ALA 8 HA ALA 8 -5.162 -5.566 -2.147
51 HB1 ALA 8 HB1 ALA 8 -6.332 -5.655 -4.311
52 HB2 ALA 8 HB2 ALA 8 -7.151 -7.147 -3.790
53 HB3 ALA 8 HB3 ALA 8 -5.384 -7.129 -3.999
54 H THR 9 HN THR 9 -8.369 -6.853 -1.424
55 HA THR 9 HA THR 9 -9.856 -4.514 -1.787
56 HB THR 9 HB THR 9 -10.663 -6.279 0.453
57 HG1 THR 9 HG1 THR 9 -10.872 -7.276 -2.186
58 HG21 THR 9 3HG2 THR 9 -12.166 -4.559 -0.435
59 HG22 THR 9 1HG2 THR 9 -12.826 -6.187 -0.717
60 HG23 THR 9 2HG2 THR 9 -12.057 -5.296 -2.052
61 H GLN 10 HN GLN 10 -8.245 -5.771 1.118
62 HA GLN 10 HA GLN 10 -9.066 -3.708 2.851
63 HB2 GLN 10 HB1 GLN 10 -7.451 -6.042 2.993
64 HB3 GLN 10 HB2 GLN 10 -6.486 -4.685 3.622
65 HG2 GLN 10 HG1 GLN 10 -9.299 -4.958 4.572
66 HG3 GLN 10 HG2 GLN 10 -8.098 -6.130 5.167
67 HE21 GLN 10 1HE2 GLN 10 -9.280 -2.919 5.345
68 HE22 GLN 10 2HE2 GLN 10 -8.182 -2.338 6.545
69 H ARG 11 HN ARG 11 -6.015 -4.171 1.071
70 HA ARG 11 HA ARG 11 -4.721 -1.855 1.888
71 HB2 ARG 11 HB1 ARG 11 -4.505 -3.724 -0.392
72 HB3 ARG 11 HB2 ARG 11 -3.816 -2.105 -0.662
73 HG2 ARG 11 HG1 ARG 11 -1.980 -2.750 0.405
74 HG3 ARG 11 HG2 ARG 11 -2.940 -2.936 1.892
75 HD2 ARG 11 HD1 ARG 11 -2.681 -5.082 -0.233
76 HD3 ARG 11 HD2 ARG 11 -1.636 -4.977 1.204
77 HE ARG 11 HE ARG 11 -4.388 -5.852 1.102
78 HH11 ARG 11 1HH1 ARG 11 -1.813 -4.631 3.101
79 HH12 ARG 11 2HH1 ARG 11 -2.478 -5.262 4.569
80 HH21 ARG 11 1HH2 ARG 11 -5.273 -6.689 3.030
81 HH22 ARG 11 2HH2 ARG 11 -4.447 -6.434 4.529
82 H LEU 12 HN LEU 12 -6.410 -2.287 -1.229
83 HA LEU 12 HA LEU 12 -6.366 0.300 -2.117
84 HB2 LEU 12 HB1 LEU 12 -7.582 -2.038 -2.907
85 HB3 LEU 12 HB2 LEU 12 -8.965 -0.975 -2.556
86 HG LEU 12 HG LEU 12 -8.128 0.660 -4.161
87 HD11 LEU 12 1HD1 LEU 12 -6.220 0.146 -5.608
88 HD12 LEU 12 2HD1 LEU 12 -5.909 -1.332 -4.667
89 HD13 LEU 12 3HD1 LEU 12 -5.732 0.264 -3.901
90 HD21 LEU 12 3HD2 LEU 12 -8.258 -2.143 -5.292
91 HD22 LEU 12 1HD2 LEU 12 -8.480 -0.635 -6.211
92 HD23 LEU 12 2HD2 LEU 12 -9.646 -1.084 -4.944
93 H ALA 13 HN ALA 13 -9.038 -1.155 -0.252
94 HA ALA 13 HA ALA 13 -10.616 1.065 0.090
95 HB1 ALA 13 HB1 ALA 13 -11.467 0.001 2.140
96 HB2 ALA 13 HB2 ALA 13 -10.096 -1.133 2.103
97 HB3 ALA 13 HB3 ALA 13 -11.306 -1.158 0.799
98 H ASN 14 HN ASN 14 -7.701 0.173 1.853
99 HA ASN 14 HA ASN 14 -7.922 2.163 3.863
100 HB2 ASN 14 HB1 ASN 14 -6.156 0.038 3.225
101 HB3 ASN 14 HB2 ASN 14 -5.173 1.519 3.332
102 HD21 ASN 14 1HD2 ASN 14 -6.879 -0.880 5.049
103 HD22 ASN 14 2HD2 ASN 14 -6.644 -0.248 6.638
104 H PHE 15 HN PHE 15 -6.402 2.067 0.687
105 HA PHE 15 HA PHE 15 -5.134 4.621 0.955
106 HB2 PHE 15 HB1 PHE 15 -4.034 3.289 -0.581
107 HB3 PHE 15 HB2 PHE 15 -5.551 2.655 -1.265
108 HD1 PHE 15 HD2 PHE 15 -3.585 5.820 -0.999
109 HD2 PHE 15 HD1 PHE 15 -6.312 3.483 -3.283
110 HE1 PHE 15 HE2 PHE 15 -3.438 7.451 -2.836
111 HE2 PHE 15 HE1 PHE 15 -6.169 5.110 -5.124
112 HZ PHE 15 HZ PHE 15 -4.733 7.098 -4.900
113 H LEU 16 HN LEU 16 -8.271 3.522 0.057
114 HA LEU 16 HA LEU 16 -9.002 5.889 -1.413
115 HB2 LEU 16 HB1 LEU 16 -10.331 3.374 -0.560
116 HB3 LEU 16 HB2 LEU 16 -11.378 4.785 -0.844
117 HG LEU 16 HG LEU 16 -10.348 4.942 -3.141
118 HD11 LEU 16 1HD1 LEU 16 -9.264 2.936 -4.034
119 HD12 LEU 16 2HD1 LEU 16 -9.292 2.204 -2.412
120 HD13 LEU 16 3HD1 LEU 16 -8.317 3.663 -2.714
121 HD21 LEU 16 3HD2 LEU 16 -11.847 2.407 -2.440
122 HD22 LEU 16 1HD2 LEU 16 -11.722 3.129 -4.061
123 HD23 LEU 16 2HD2 LEU 16 -12.571 4.000 -2.762
124 H VAL 17 HN VAL 17 -9.559 4.609 1.838
125 HA VAL 17 HA VAL 17 -11.183 6.843 2.639
126 HB VAL 17 HB VAL 17 -11.596 4.724 3.702
127 HG11 VAL 17 1HG1 VAL 17 -9.933 3.634 5.147
128 HG12 VAL 17 2HG1 VAL 17 -8.734 4.862 4.676
129 HG13 VAL 17 3HG1 VAL 17 -9.379 3.735 3.459
130 HG21 VAL 17 3HG2 VAL 17 -10.304 6.659 5.638
131 HG22 VAL 17 1HG2 VAL 17 -11.440 5.359 6.071
132 HG23 VAL 17 2HG2 VAL 17 -11.985 6.715 5.056
133 H HIS 18 HN HIS 18 -7.808 5.972 2.791
134 HA HIS 18 HA HIS 18 -7.237 8.344 4.426
135 HB2 HIS 18 HB1 HIS 18 -5.498 5.972 3.707
136 HB3 HIS 18 HB2 HIS 18 -4.968 7.363 4.683
137 HD1 HIS 18 HD1 HIS 18 -6.028 7.582 7.077
138 HD2 HIS 18 HD2 HIS 18 -6.998 4.077 5.070
139 HE1 HIS 18 HE1 HIS 18 -6.983 6.048 8.826
140 H SER 19 HN SER 19 -7.863 9.478 2.313
141 HA SER 19 HA SER 19 -6.355 9.428 0.006
142 HB2 SER 19 HB1 SER 19 -7.601 11.843 1.358
143 HB3 SER 19 HB2 SER 19 -7.057 11.784 -0.336
144 HG SER 19 HG SER 19 -8.571 9.968 -0.552
145 H SER 20 HN SER 20 -5.560 10.768 3.116
146 HA SER 20 HA SER 20 -3.523 12.535 2.442
147 HB2 SER 20 HB1 SER 20 -4.003 10.802 4.865
148 HB3 SER 20 HB2 SER 20 -2.565 11.845 4.750
149 HG SER 20 HG SER 20 -5.044 12.529 5.442
150 H ASN 21 HN ASN 21 -3.505 9.038 2.659
151 HA ASN 21 HA ASN 21 -0.808 8.483 2.748
152 HB2 ASN 21 HB1 ASN 21 -3.151 7.103 1.485
153 HB3 ASN 21 HB2 ASN 21 -1.509 6.481 1.191
154 HD21 ASN 21 1HD2 ASN 21 -0.991 4.896 2.499
155 HD22 ASN 21 2HD2 ASN 21 -1.481 4.715 4.146
156 H ASN 22 HN ASN 22 -2.706 9.702 0.088
157 HA ASN 22 HA ASN 22 -1.021 9.131 -2.055
158 HB2 ASN 22 HB1 ASN 22 -3.144 9.970 -2.606
159 HB3 ASN 22 HB2 ASN 22 -2.970 11.366 -1.515
160 HD21 ASN 22 1HD2 ASN 22 -1.650 13.101 -2.157
161 HD22 ASN 22 2HD2 ASN 22 -1.246 13.366 -3.814
162 H PHE 23 HN PHE 23 -0.964 11.823 0.238
163 HA PHE 23 HA PHE 23 1.358 12.995 -1.048
164 HB2 PHE 23 HB1 PHE 23 -0.733 13.990 0.516
165 HB3 PHE 23 HB2 PHE 23 0.705 14.096 1.560
166 HD1 PHE 23 HD1 PHE 23 2.848 14.744 -0.252
167 HD2 PHE 23 HD2 PHE 23 -1.184 16.108 -0.282
168 HE1 PHE 23 HE1 PHE 23 3.552 16.787 -1.427
169 HE2 PHE 23 HE2 PHE 23 -0.486 18.155 -1.457
170 HZ PHE 23 HZ PHE 23 1.884 18.496 -2.031
171 H GLY 24 HN GLY 24 0.558 11.538 2.099
172 HA2 GLY 24 HA1 GLY 24 3.091 11.708 3.260
173 HA3 GLY 24 HA2 GLY 24 1.879 10.500 3.662
174 H ALA 25 HN ALA 25 1.891 9.528 0.833
175 HA ALA 25 HA ALA 25 3.623 7.378 1.114
176 HB1 ALA 25 HB1 ALA 25 3.251 6.957 -1.283
177 HB2 ALA 25 HB2 ALA 25 2.531 8.577 -1.441
178 HB3 ALA 25 HB3 ALA 25 1.739 7.346 -0.428
179 H ILE 26 HN ILE 26 4.230 10.585 -0.073
180 HA ILE 26 HA ILE 26 6.738 9.910 -1.327
181 HB ILE 26 HB ILE 26 5.572 12.612 -0.646
182 HG12 ILE 26 1HG1 ILE 26 5.547 12.396 -3.366
183 HG13 ILE 26 2HG1 ILE 26 5.216 10.716 -2.880
184 HG21 ILE 26 1HG2 ILE 26 7.225 13.504 -2.232
185 HG22 ILE 26 2HG2 ILE 26 7.919 11.874 -2.407
186 HG23 ILE 26 3HG2 ILE 26 7.997 12.711 -0.839
187 HD11 ILE 26 3HD1 ILE 26 3.313 11.481 -1.533
188 HD12 ILE 26 1HD1 ILE 26 3.143 11.964 -3.237
189 HD13 ILE 26 2HD1 ILE 26 3.644 13.161 -2.019
190 H LEU 27 HN LEU 27 5.646 10.906 1.804
191 HA LEU 27 HA LEU 27 8.245 11.767 2.714
192 HB2 LEU 27 HB1 LEU 27 5.536 11.909 3.643
193 HB3 LEU 27 HB2 LEU 27 6.564 11.216 4.920
194 HG LEU 27 HG LEU 27 7.190 13.823 3.532
195 HD11 LEU 27 1HD1 LEU 27 6.254 14.943 5.501
196 HD12 LEU 27 2HD1 LEU 27 5.700 13.372 6.126
197 HD13 LEU 27 3HD1 LEU 27 5.013 14.022 4.618
198 HD21 LEU 27 3HD2 LEU 27 8.141 12.588 6.127
199 HD22 LEU 27 1HD2 LEU 27 8.603 14.189 5.502
200 HD23 LEU 27 2HD2 LEU 27 9.078 12.718 4.619
201 H SER 28 HN SER 28 6.186 8.919 3.062
202 HA SER 28 HA SER 28 8.133 7.588 4.752
203 HB2 SER 28 HB1 SER 28 6.532 5.837 4.991
204 HB3 SER 28 HB2 SER 28 5.616 7.363 5.032
205 HG SER 28 HG SER 28 4.765 5.642 3.628
206 H SER 29 HN SER 29 6.904 7.384 1.453
207 HA SER 29 HA SER 29 7.671 6.329 -0.409
208 HB2 SER 29 HB1 SER 29 10.368 5.726 0.574
209 HB3 SER 29 HB2 SER 29 9.856 6.716 -0.814
210 HG SER 29 HG SER 29 10.084 8.440 0.375
211 H THR 30 HN THR 30 6.604 4.780 1.881
212 HA THR 30 HA THR 30 8.007 2.337 2.128
213 HB THR 30 HB THR 30 6.336 2.985 3.775
214 HG1 THR 30 HG1 THR 30 6.502 0.823 3.811
215 HG21 THR 30 3HG2 THR 30 4.762 4.138 2.296
216 HG22 THR 30 1HG2 THR 30 3.933 2.892 3.259
217 HG23 THR 30 2HG2 THR 30 4.320 2.584 1.549
218 H ASN 31 HN ASN 31 5.848 3.589 -0.272
219 HA ASN 31 HA ASN 31 5.677 0.942 -1.544
220 HB2 ASN 31 HB1 ASN 31 4.037 3.375 -2.265
221 HB3 ASN 31 HB2 ASN 31 3.731 1.675 -2.697
222 HD21 ASN 31 1HD2 ASN 31 2.945 4.148 -0.608
223 HD22 ASN 31 2HD2 ASN 31 2.176 3.224 0.633
224 H VAL 32 HN VAL 32 6.865 4.178 -1.890
225 HA VAL 32 HA VAL 32 7.585 3.735 -4.691
226 HB VAL 32 HB VAL 32 7.979 6.210 -3.004
227 HG11 VAL 32 1HG1 VAL 32 8.307 7.344 -5.159
228 HG12 VAL 32 2HG1 VAL 32 8.165 5.778 -5.993
229 HG13 VAL 32 3HG1 VAL 32 9.526 6.077 -4.886
230 HG21 VAL 32 3HG2 VAL 32 5.804 5.545 -5.002
231 HG22 VAL 32 1HG2 VAL 32 6.038 7.121 -4.209
232 HG23 VAL 32 2HG2 VAL 32 5.606 5.693 -3.239
233 H GLY 33 HN GLY 33 9.313 5.241 -1.957
234 HA2 GLY 33 HA1 GLY 33 11.879 4.793 -2.923
235 HA3 GLY 33 HA2 GLY 33 11.476 5.013 -1.226
236 H SER 34 HN SER 34 9.730 2.607 -1.264
237 HA SER 34 HA SER 34 11.493 0.740 -0.245
238 HB2 SER 34 HB1 SER 34 9.255 0.369 0.310
239 HB3 SER 34 HB2 SER 34 8.714 0.528 -1.379
240 HG SER 34 HG SER 34 9.049 -1.534 -1.647
241 H ASN 35 HN ASN 35 10.387 1.174 -3.557
242 HA ASN 35 HA ASN 35 11.255 -1.176 -4.720
243 HB2 ASN 35 HB1 ASN 35 10.074 0.994 -5.697
244 HB3 ASN 35 HB2 ASN 35 11.740 1.387 -6.185
245 HD21 ASN 35 1HD2 ASN 35 10.625 1.220 -8.325
246 HD22 ASN 35 2HD2 ASN 35 10.601 -0.329 -9.092
247 H THR 36 HN THR 36 13.119 1.257 -3.250
248 HA THR 36 HA THR 36 15.574 0.231 -4.518
249 HB THR 36 HB THR 36 15.122 2.896 -3.161
250 HG1 THR 36 HG1 THR 36 14.242 2.831 -5.249
251 HG21 THR 36 3HG2 THR 36 17.395 2.069 -2.773
252 HG22 THR 36 1HG2 THR 36 17.402 3.443 -3.904
253 HG23 THR 36 2HG2 THR 36 17.592 1.784 -4.518
254 H TYR 37 HN TYR 37 14.296 1.446 -1.424
255 HA TYR 37 HA TYR 37 16.433 0.051 -0.002
256 HB2 TYR 37 HB1 TYR 37 14.409 2.137 0.772
257 HB3 TYR 37 HB2 TYR 37 15.275 1.201 2.014
258 HD1 TYR 37 HD1 TYR 37 15.982 3.233 -1.057
259 HD2 TYR 37 HD2 TYR 37 17.278 2.050 2.818
260 HE1 TYR 37 HE1 TYR 37 17.888 4.778 -1.230
261 HE2 TYR 37 HE2 TYR 37 19.185 3.594 2.657
262 HH TYR 37 HH TYR 37 19.577 5.749 -0.119
263 HN1 NH2 38 HN1 NH2 37 13.235 -0.834 -1.309
264 HN2 NH2 38 HN2 NH2 37 12.780 -2.064 0.001
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 4.460 -12.326 3.199
2 H2 LYS 1 HT2 LYS 1 3.427 -11.447 2.098
3 H3 LYS 1 HT3 LYS 1 3.590 -13.180 1.947
4 HA LYS 1 HA LYS 1 2.567 -13.486 4.061
5 HB2 LYS 1 HB1 LYS 1 3.133 -10.675 4.303
6 HB3 LYS 1 HB2 LYS 1 1.391 -10.959 4.539
7 HG2 LYS 1 HG1 LYS 1 2.118 -12.811 6.170
8 HG3 LYS 1 HG2 LYS 1 3.718 -12.033 6.120
9 HD2 LYS 1 HD1 LYS 1 3.033 -10.522 7.606
10 HD3 LYS 1 HD2 LYS 1 1.759 -9.991 6.481
11 HE2 LYS 1 HE1 LYS 1 0.737 -10.623 8.576
12 HE3 LYS 1 HE2 LYS 1 0.306 -11.827 7.339
13 HZ1 LYS 1 HZ1 LYS 1 2.043 -13.274 8.214
14 HZ2 LYS 1 HZ2 LYS 1 0.921 -12.884 9.417
15 HZ3 LYS 1 HZ3 LYS 1 2.435 -12.131 9.400
16 H CYS 2 HN CYS 2 1.451 -10.796 1.997
17 HA CYS 2 HA CYS 2 -0.565 -12.441 0.786
18 HB2 CYS 2 HB1 CYS 2 -1.451 -11.650 3.097
19 HB3 CYS 2 HB2 CYS 2 -1.613 -10.066 2.302
20 H ASN 3 HN ASN 3 1.139 -11.507 -0.769
21 HA ASN 3 HA ASN 3 0.966 -8.775 -1.519
22 HB2 ASN 3 HB1 ASN 3 1.876 -11.087 -3.250
23 HB3 ASN 3 HB2 ASN 3 2.311 -9.369 -3.424
24 HD21 ASN 3 1HD2 ASN 3 4.022 -8.607 -2.343
25 HD22 ASN 3 2HD2 ASN 3 4.967 -9.511 -1.214
26 H THR 4 HN THR 4 0.000 -11.614 -3.447
27 HA THR 4 HA THR 4 -2.149 -9.977 -4.614
28 HB THR 4 HB THR 4 -1.237 -12.566 -5.820
29 HG1 THR 4 HG1 THR 4 0.347 -11.390 -6.974
30 HG21 THR 4 3HG2 THR 4 -3.237 -11.477 -6.722
31 HG22 THR 4 1HG2 THR 4 -1.909 -11.447 -7.906
32 HG23 THR 4 2HG2 THR 4 -2.309 -9.980 -6.981
33 H ALA 5 HN ALA 5 -3.908 -10.321 -3.362
34 HA ALA 5 HA ALA 5 -5.313 -12.758 -3.582
35 HB1 ALA 5 HB1 ALA 5 -5.318 -13.460 -1.224
36 HB2 ALA 5 HB2 ALA 5 -4.095 -12.218 -0.868
37 HB3 ALA 5 HB3 ALA 5 -3.700 -13.571 -1.955
38 H THR 6 HN THR 6 -7.032 -12.689 -1.496
39 HA THR 6 HA THR 6 -8.817 -10.675 -2.134
40 HB THR 6 HB THR 6 -9.442 -12.733 -0.914
41 HG1 THR 6 HG1 THR 6 -10.873 -10.957 -0.861
42 HG21 THR 6 3HG2 THR 6 -7.574 -12.816 0.669
43 HG22 THR 6 1HG2 THR 6 -9.134 -12.843 1.524
44 HG23 THR 6 2HG2 THR 6 -8.179 -11.343 1.464
45 H CYS 7 HN CYS 7 -6.149 -10.637 0.101
46 HA CYS 7 HA CYS 7 -6.794 -8.558 1.790
47 HB2 CYS 7 HB1 CYS 7 -4.091 -9.088 0.532
48 HB3 CYS 7 HB2 CYS 7 -4.391 -8.147 2.013
49 H ALA 8 HN ALA 8 -5.873 -8.442 -1.575
50 HA ALA 8 HA ALA 8 -5.059 -5.869 -1.963
51 HB1 ALA 8 HB1 ALA 8 -6.062 -5.989 -4.207
52 HB2 ALA 8 HB2 ALA 8 -6.983 -7.426 -3.703
53 HB3 ALA 8 HB3 ALA 8 -5.205 -7.487 -3.773
54 H THR 9 HN THR 9 -8.374 -6.995 -1.482
55 HA THR 9 HA THR 9 -9.713 -4.600 -2.024
56 HB THR 9 HB THR 9 -10.804 -6.247 0.181
57 HG1 THR 9 HG1 THR 9 -10.572 -8.085 -0.827
58 HG21 THR 9 3HG2 THR 9 -12.135 -4.514 -0.926
59 HG22 THR 9 1HG2 THR 9 -12.833 -6.127 -1.206
60 HG23 THR 9 2HG2 THR 9 -11.898 -5.326 -2.491
61 H GLN 10 HN GLN 10 -8.374 -5.841 1.020
62 HA GLN 10 HA GLN 10 -9.256 -3.710 2.643
63 HB2 GLN 10 HB1 GLN 10 -7.727 -6.092 2.955
64 HB3 GLN 10 HB2 GLN 10 -6.792 -4.747 3.652
65 HG2 GLN 10 HG1 GLN 10 -8.105 -5.679 5.399
66 HG3 GLN 10 HG2 GLN 10 -8.839 -4.118 4.959
67 HE21 GLN 10 1HE2 GLN 10 -10.935 -4.351 5.319
68 HE22 GLN 10 2HE2 GLN 10 -11.930 -5.632 4.721
69 H ARG 11 HN ARG 11 -6.079 -4.334 1.154
70 HA ARG 11 HA ARG 11 -4.782 -2.033 2.008
71 HB2 ARG 11 HB1 ARG 11 -4.350 -4.106 0.039
72 HB3 ARG 11 HB2 ARG 11 -3.833 -2.523 -0.590
73 HG2 ARG 11 HG1 ARG 11 -2.135 -2.320 0.921
74 HG3 ARG 11 HG2 ARG 11 -2.981 -3.266 2.169
75 HD2 ARG 11 HD1 ARG 11 -1.817 -5.073 1.591
76 HD3 ARG 11 HD2 ARG 11 -2.495 -4.985 -0.053
77 HE ARG 11 HE ARG 11 -0.315 -3.173 0.307
78 HH11 ARG 11 1HH1 ARG 11 -1.117 -6.510 -0.277
79 HH12 ARG 11 2HH1 ARG 11 0.374 -6.861 -1.087
80 HH21 ARG 11 1HH2 ARG 11 1.652 -3.624 -0.757
81 HH22 ARG 11 2HH2 ARG 11 1.948 -5.220 -1.357
82 H LEU 12 HN LEU 12 -6.206 -2.521 -1.230
83 HA LEU 12 HA LEU 12 -5.988 0.033 -2.192
84 HB2 LEU 12 HB1 LEU 12 -7.214 -2.295 -3.012
85 HB3 LEU 12 HB2 LEU 12 -8.578 -1.165 -2.835
86 HG LEU 12 HG LEU 12 -7.520 0.372 -4.407
87 HD11 LEU 12 1HD1 LEU 12 -5.510 -0.278 -5.646
88 HD12 LEU 12 2HD1 LEU 12 -5.353 -1.727 -4.625
89 HD13 LEU 12 3HD1 LEU 12 -5.182 -0.108 -3.905
90 HD21 LEU 12 3HD2 LEU 12 -7.668 -2.467 -5.444
91 HD22 LEU 12 1HD2 LEU 12 -7.735 -0.990 -6.434
92 HD23 LEU 12 2HD2 LEU 12 -9.034 -1.340 -5.269
93 H ALA 13 HN ALA 13 -8.855 -1.275 -0.520
94 HA ALA 13 HA ALA 13 -10.387 1.002 -0.400
95 HB1 ALA 13 HB1 ALA 13 -11.448 0.040 1.602
96 HB2 ALA 13 HB2 ALA 13 -10.116 -1.134 1.727
97 HB3 ALA 13 HB3 ALA 13 -11.209 -1.172 0.322
98 H ASN 14 HN ASN 14 -7.662 0.099 1.635
99 HA ASN 14 HA ASN 14 -8.000 2.185 3.538
100 HB2 ASN 14 HB1 ASN 14 -6.251 -0.030 3.151
101 HB3 ASN 14 HB2 ASN 14 -5.247 1.427 3.345
102 HD21 ASN 14 1HD2 ASN 14 -5.504 -0.801 5.154
103 HD22 ASN 14 2HD2 ASN 14 -6.102 -0.171 6.648
104 H PHE 15 HN PHE 15 -6.214 1.877 0.521
105 HA PHE 15 HA PHE 15 -4.841 4.375 0.801
106 HB2 PHE 15 HB1 PHE 15 -3.685 2.908 -0.569
107 HB3 PHE 15 HB2 PHE 15 -5.168 2.345 -1.379
108 HD1 PHE 15 HD2 PHE 15 -2.966 5.337 -1.042
109 HD2 PHE 15 HD1 PHE 15 -5.741 3.197 -3.458
110 HE1 PHE 15 HE2 PHE 15 -2.536 6.888 -2.902
111 HE2 PHE 15 HE1 PHE 15 -5.315 4.746 -5.323
112 HZ PHE 15 HZ PHE 15 -3.713 6.595 -5.046
113 H LEU 16 HN LEU 16 -7.944 3.395 -0.305
114 HA LEU 16 HA LEU 16 -8.413 5.747 -1.915
115 HB2 LEU 16 HB1 LEU 16 -9.932 3.304 -1.168
116 HB3 LEU 16 HB2 LEU 16 -10.872 4.747 -1.616
117 HG LEU 16 HG LEU 16 -9.521 4.780 -3.767
118 HD11 LEU 16 1HD1 LEU 16 -8.511 2.660 -4.465
119 HD12 LEU 16 2HD1 LEU 16 -8.814 1.988 -2.845
120 HD13 LEU 16 3HD1 LEU 16 -7.683 3.347 -3.047
121 HD21 LEU 16 3HD2 LEU 16 -11.317 2.408 -3.215
122 HD22 LEU 16 1HD2 LEU 16 -10.918 3.062 -4.821
123 HD23 LEU 16 2HD2 LEU 16 -11.847 4.046 -3.665
124 H VAL 17 HN VAL 17 -9.316 4.558 1.285
125 HA VAL 17 HA VAL 17 -10.970 6.832 1.879
126 HB VAL 17 HB VAL 17 -11.497 4.735 2.946
127 HG11 VAL 17 1HG1 VAL 17 -9.992 3.691 4.588
128 HG12 VAL 17 2HG1 VAL 17 -8.748 4.904 4.202
129 HG13 VAL 17 3HG1 VAL 17 -9.270 3.740 2.961
130 HG21 VAL 17 3HG2 VAL 17 -10.403 6.729 4.944
131 HG22 VAL 17 1HG2 VAL 17 -11.582 5.444 5.300
132 HG23 VAL 17 2HG2 VAL 17 -12.016 6.768 4.193
133 H HIS 18 HN HIS 18 -7.639 5.916 2.377
134 HA HIS 18 HA HIS 18 -7.179 8.300 4.021
135 HB2 HIS 18 HB1 HIS 18 -5.425 5.906 3.434
136 HB3 HIS 18 HB2 HIS 18 -4.918 7.308 4.406
137 HD1 HIS 18 HD1 HIS 18 -6.044 7.579 6.751
138 HD2 HIS 18 HD2 HIS 18 -7.078 4.091 4.745
139 HE1 HIS 18 HE1 HIS 18 -7.127 6.107 8.478
140 H SER 19 HN SER 19 -7.680 9.373 1.807
141 HA SER 19 HA SER 19 -5.976 9.340 -0.352
142 HB2 SER 19 HB1 SER 19 -7.754 11.406 0.866
143 HB3 SER 19 HB2 SER 19 -6.589 11.944 -0.367
144 HG SER 19 HG SER 19 -8.056 11.252 -1.714
145 H SER 20 HN SER 20 -5.508 10.811 2.781
146 HA SER 20 HA SER 20 -3.445 12.583 2.259
147 HB2 SER 20 HB1 SER 20 -4.726 11.860 4.499
148 HB3 SER 20 HB2 SER 20 -3.230 10.922 4.728
149 HG SER 20 HG SER 20 -2.993 13.604 3.955
150 H ASN 21 HN ASN 21 -3.301 9.094 2.816
151 HA ASN 21 HA ASN 21 -0.582 8.704 3.001
152 HB2 ASN 21 HB1 ASN 21 -2.817 7.049 1.870
153 HB3 ASN 21 HB2 ASN 21 -1.135 6.488 1.702
154 HD21 ASN 21 1HD2 ASN 21 0.109 6.820 3.893
155 HD22 ASN 21 2HD2 ASN 21 -0.693 6.159 5.273
156 H ASN 22 HN ASN 22 -2.495 9.454 0.178
157 HA ASN 22 HA ASN 22 -0.795 8.722 -1.873
158 HB2 ASN 22 HB1 ASN 22 -3.053 9.578 -2.260
159 HB3 ASN 22 HB2 ASN 22 -2.549 11.189 -1.695
160 HD21 ASN 22 1HD2 ASN 22 -0.875 8.889 -3.808
161 HD22 ASN 22 2HD2 ASN 22 -0.791 9.939 -5.178
162 H PHE 23 HN PHE 23 -0.764 11.676 0.080
163 HA PHE 23 HA PHE 23 1.586 12.669 -1.301
164 HB2 PHE 23 HB1 PHE 23 -0.516 13.912 -0.057
165 HB3 PHE 23 HB2 PHE 23 0.763 14.029 1.175
166 HD1 PHE 23 HD1 PHE 23 3.172 14.405 -0.380
167 HD2 PHE 23 HD2 PHE 23 -0.720 16.002 -1.024
168 HE1 PHE 23 HE1 PHE 23 4.159 16.314 -1.579
169 HE2 PHE 23 HE2 PHE 23 0.260 17.913 -2.224
170 HZ PHE 23 HZ PHE 23 2.701 18.070 -2.504
171 H GLY 24 HN GLY 24 0.720 11.553 1.959
172 HA2 GLY 24 HA1 GLY 24 3.192 11.905 3.193
173 HA3 GLY 24 HA2 GLY 24 2.008 10.689 3.651
174 H ALA 25 HN ALA 25 2.201 9.517 0.882
175 HA ALA 25 HA ALA 25 3.960 7.440 1.419
176 HB1 ALA 25 HB1 ALA 25 3.753 6.850 -0.963
177 HB2 ALA 25 HB2 ALA 25 3.009 8.436 -1.276
178 HB3 ALA 25 HB3 ALA 25 2.182 7.255 -0.232
179 H ILE 26 HN ILE 26 4.562 10.566 0.010
180 HA ILE 26 HA ILE 26 7.172 9.871 -1.000
181 HB ILE 26 HB ILE 26 5.895 12.585 -0.637
182 HG12 ILE 26 1HG1 ILE 26 6.043 12.137 -3.324
183 HG13 ILE 26 2HG1 ILE 26 5.730 10.493 -2.716
184 HG21 ILE 26 1HG2 ILE 26 7.626 13.382 -2.191
185 HG22 ILE 26 2HG2 ILE 26 8.363 11.762 -2.179
186 HG23 ILE 26 3HG2 ILE 26 8.325 12.734 -0.688
187 HD11 ILE 26 3HD1 ILE 26 3.728 11.305 -1.554
188 HD12 ILE 26 1HD1 ILE 26 3.650 11.638 -3.301
189 HD13 ILE 26 2HD1 ILE 26 4.041 12.948 -2.162
190 H LEU 27 HN LEU 27 5.831 11.067 1.955
191 HA LEU 27 HA LEU 27 8.313 12.126 2.967
192 HB2 LEU 27 HB1 LEU 27 5.605 12.360 3.626
193 HB3 LEU 27 HB2 LEU 27 6.349 11.510 5.002
194 HG LEU 27 HG LEU 27 7.216 14.193 3.904
195 HD11 LEU 27 1HD1 LEU 27 6.322 15.089 6.000
196 HD12 LEU 27 2HD1 LEU 27 5.733 13.468 6.438
197 HD13 LEU 27 3HD1 LEU 27 5.054 14.310 5.025
198 HD21 LEU 27 3HD2 LEU 27 8.155 12.633 6.321
199 HD22 LEU 27 1HD2 LEU 27 8.651 14.287 5.889
200 HD23 LEU 27 2HD2 LEU 27 9.084 12.923 4.831
201 H SER 28 HN SER 28 6.397 9.188 3.393
202 HA SER 28 HA SER 28 8.306 8.093 5.283
203 HB2 SER 28 HB1 SER 28 5.562 7.599 4.588
204 HB3 SER 28 HB2 SER 28 6.486 6.086 4.428
205 HG SER 28 HG SER 28 5.685 6.425 6.568
206 H SER 29 HN SER 29 7.287 7.583 1.944
207 HA SER 29 HA SER 29 8.183 6.387 0.226
208 HB2 SER 29 HB1 SER 29 10.740 6.817 1.804
209 HB3 SER 29 HB2 SER 29 10.650 6.311 0.100
210 HG SER 29 HG SER 29 10.693 8.766 1.008
211 H THR 30 HN THR 30 7.144 4.922 2.501
212 HA THR 30 HA THR 30 8.894 2.626 2.815
213 HB THR 30 HB THR 30 7.528 3.467 4.721
214 HG1 THR 30 HG1 THR 30 8.226 1.266 4.637
215 HG21 THR 30 3HG2 THR 30 5.507 4.089 3.483
216 HG22 THR 30 1HG2 THR 30 5.127 2.937 4.786
217 HG23 THR 30 2HG2 THR 30 5.213 2.376 3.099
218 H ASN 31 HN ASN 31 6.108 3.575 0.965
219 HA ASN 31 HA ASN 31 5.854 0.835 -0.079
220 HB2 ASN 31 HB1 ASN 31 3.816 1.888 0.940
221 HB3 ASN 31 HB2 ASN 31 3.873 3.109 -0.354
222 HD21 ASN 31 1HD2 ASN 31 3.477 2.455 -2.495
223 HD22 ASN 31 2HD2 ASN 31 2.622 0.996 -2.852
224 H VAL 32 HN VAL 32 6.516 4.149 -0.903
225 HA VAL 32 HA VAL 32 6.520 3.575 -3.764
226 HB VAL 32 HB VAL 32 7.123 6.149 -2.300
227 HG11 VAL 32 1HG1 VAL 32 6.914 7.215 -4.504
228 HG12 VAL 32 2HG1 VAL 32 6.727 5.610 -5.250
229 HG13 VAL 32 3HG1 VAL 32 8.258 6.050 -4.456
230 HG21 VAL 32 3HG2 VAL 32 4.644 5.251 -3.785
231 HG22 VAL 32 1HG2 VAL 32 4.912 6.871 -3.097
232 HG23 VAL 32 2HG2 VAL 32 4.800 5.456 -2.024
233 H GLY 33 HN GLY 33 8.814 5.115 -1.496
234 HA2 GLY 33 HA1 GLY 33 11.052 4.824 -3.190
235 HA3 GLY 33 HA2 GLY 33 11.110 5.139 -1.461
236 H SER 34 HN SER 34 10.119 2.948 -0.306
237 HA SER 34 HA SER 34 12.203 1.137 -0.303
238 HB2 SER 34 HB1 SER 34 9.776 1.441 1.074
239 HB3 SER 34 HB2 SER 34 9.706 -0.190 0.364
240 HG SER 34 HG SER 34 11.920 0.802 1.853
241 H ASN 35 HN ASN 35 9.393 1.263 -2.364
242 HA ASN 35 HA ASN 35 9.273 -1.313 -3.348
243 HB2 ASN 35 HB1 ASN 35 7.795 0.748 -3.869
244 HB3 ASN 35 HB2 ASN 35 8.973 1.071 -5.165
245 HD21 ASN 35 1HD2 ASN 35 6.758 -1.371 -3.892
246 HD22 ASN 35 2HD2 ASN 35 6.433 -2.130 -5.409
247 H THR 36 HN THR 36 11.799 0.941 -3.658
248 HA THR 36 HA THR 36 13.143 -0.822 -5.587
249 HB THR 36 HB THR 36 14.196 1.719 -6.081
250 HG1 THR 36 HG1 THR 36 12.117 2.750 -6.764
251 HG21 THR 36 3HG2 THR 36 13.919 -0.079 -7.722
252 HG22 THR 36 1HG2 THR 36 13.189 1.435 -8.307
253 HG23 THR 36 2HG2 THR 36 12.153 0.137 -7.666
254 H TYR 37 HN TYR 37 13.634 1.923 -3.367
255 HA TYR 37 HA TYR 37 16.240 0.761 -2.644
256 HB2 TYR 37 HB1 TYR 37 15.255 3.615 -2.404
257 HB3 TYR 37 HB2 TYR 37 16.841 3.030 -1.847
258 HD1 TYR 37 HD1 TYR 37 14.759 3.702 -4.829
259 HD2 TYR 37 HD2 TYR 37 18.627 2.654 -3.402
260 HE1 TYR 37 HE1 TYR 37 15.693 4.122 -7.067
261 HE2 TYR 37 HE2 TYR 37 19.572 3.073 -5.635
262 HH TYR 37 HH TYR 37 18.670 4.702 -7.738
263 HN1 NH2 38 HN1 NH2 37 13.923 3.245 -0.821
264 HN2 NH2 38 HN2 NH2 37 13.858 2.214 0.718
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 -3.386 -11.710 9.806
2 H2 LYS 1 HT2 LYS 1 -4.580 -11.650 8.532
3 H3 LYS 1 HT3 LYS 1 -3.720 -10.201 8.991
4 HA LYS 1 HA LYS 1 -1.679 -11.145 8.243
5 HB2 LYS 1 HB1 LYS 1 -3.366 -13.557 8.072
6 HB3 LYS 1 HB2 LYS 1 -2.288 -13.301 6.678
7 HG2 LYS 1 HG1 LYS 1 -1.118 -14.679 8.216
8 HG3 LYS 1 HG2 LYS 1 -0.394 -13.056 8.323
9 HD2 LYS 1 HD1 LYS 1 -1.368 -12.620 10.400
10 HD3 LYS 1 HD2 LYS 1 -2.610 -13.878 10.190
11 HE2 LYS 1 HE1 LYS 1 -1.162 -15.595 10.743
12 HE3 LYS 1 HE2 LYS 1 0.284 -14.669 10.274
13 HZ1 LYS 1 HZ1 LYS 1 -1.179 -14.692 12.796
14 HZ2 LYS 1 HZ2 LYS 1 -0.598 -13.186 12.290
15 HZ3 LYS 1 HZ3 LYS 1 0.474 -14.479 12.501
16 H CYS 2 HN CYS 2 -1.243 -11.642 5.755
17 HA CYS 2 HA CYS 2 -3.313 -10.611 4.013
18 HB2 CYS 2 HB1 CYS 2 -2.152 -8.609 5.053
19 HB3 CYS 2 HB2 CYS 2 -0.689 -9.124 4.179
20 H ASN 3 HN ASN 3 -2.950 -12.803 3.236
21 HA ASN 3 HA ASN 3 -0.556 -12.999 1.526
22 HB2 ASN 3 HB1 ASN 3 -1.353 -14.743 3.536
23 HB3 ASN 3 HB2 ASN 3 -1.917 -15.530 2.042
24 HD21 ASN 3 1HD2 ASN 3 0.309 -16.091 3.998
25 HD22 ASN 3 2HD2 ASN 3 1.713 -16.278 3.011
26 H THR 4 HN THR 4 -3.902 -14.209 1.779
27 HA THR 4 HA THR 4 -4.207 -14.964 -0.887
28 HB THR 4 HB THR 4 -6.593 -13.830 0.466
29 HG1 THR 4 HG1 THR 4 -6.600 -15.769 1.838
30 HG21 THR 4 3HG2 THR 4 -6.789 -15.109 -1.613
31 HG22 THR 4 1HG2 THR 4 -7.584 -15.958 -0.266
32 HG23 THR 4 2HG2 THR 4 -5.987 -16.497 -0.838
33 H ALA 5 HN ALA 5 -5.182 -13.954 -2.671
34 HA ALA 5 HA ALA 5 -4.425 -11.313 -3.169
35 HB1 ALA 5 HB1 ALA 5 -5.800 -11.475 -5.202
36 HB2 ALA 5 HB2 ALA 5 -6.526 -12.973 -4.575
37 HB3 ALA 5 HB3 ALA 5 -4.789 -12.919 -4.959
38 H THR 6 HN THR 6 -7.288 -12.612 -1.708
39 HA THR 6 HA THR 6 -9.152 -10.618 -2.123
40 HB THR 6 HB THR 6 -8.750 -12.075 0.495
41 HG1 THR 6 HG1 THR 6 -10.437 -13.466 -0.623
42 HG21 THR 6 3HG2 THR 6 -10.359 -10.231 0.611
43 HG22 THR 6 1HG2 THR 6 -11.183 -11.804 0.729
44 HG23 THR 6 2HG2 THR 6 -11.222 -10.892 -0.798
45 H CYS 7 HN CYS 7 -6.361 -10.626 -0.019
46 HA CYS 7 HA CYS 7 -6.933 -8.573 1.726
47 HB2 CYS 7 HB1 CYS 7 -4.797 -10.086 1.387
48 HB3 CYS 7 HB2 CYS 7 -4.219 -8.673 0.470
49 H ALA 8 HN ALA 8 -6.135 -8.406 -1.668
50 HA ALA 8 HA ALA 8 -5.319 -5.833 -2.043
51 HB1 ALA 8 HB1 ALA 8 -6.405 -5.910 -4.251
52 HB2 ALA 8 HB2 ALA 8 -7.318 -7.348 -3.735
53 HB3 ALA 8 HB3 ALA 8 -5.545 -7.422 -3.873
54 H THR 9 HN THR 9 -8.621 -6.947 -1.454
55 HA THR 9 HA THR 9 -9.964 -4.537 -1.908
56 HB THR 9 HB THR 9 -10.982 -6.213 0.308
57 HG1 THR 9 HG1 THR 9 -11.481 -7.927 -1.115
58 HG21 THR 9 3HG2 THR 9 -12.343 -4.454 -0.719
59 HG22 THR 9 1HG2 THR 9 -13.061 -6.058 -0.997
60 HG23 THR 9 2HG2 THR 9 -12.170 -5.243 -2.304
61 H GLN 10 HN GLN 10 -8.520 -5.834 1.063
62 HA GLN 10 HA GLN 10 -9.327 -3.725 2.751
63 HB2 GLN 10 HB1 GLN 10 -7.807 -6.121 2.971
64 HB3 GLN 10 HB2 GLN 10 -6.835 -4.794 3.651
65 HG2 GLN 10 HG1 GLN 10 -9.515 -4.523 4.590
66 HG3 GLN 10 HG2 GLN 10 -9.001 -6.210 4.831
67 HE21 GLN 10 1HE2 GLN 10 -7.860 -2.878 5.289
68 HE22 GLN 10 2HE2 GLN 10 -7.037 -3.181 6.778
69 H ARG 11 HN ARG 11 -6.215 -4.343 1.134
70 HA ARG 11 HA ARG 11 -4.871 -2.065 1.977
71 HB2 ARG 11 HB1 ARG 11 -4.516 -4.115 -0.023
72 HB3 ARG 11 HB2 ARG 11 -4.039 -2.529 -0.675
73 HG2 ARG 11 HG1 ARG 11 -2.329 -2.262 0.861
74 HG3 ARG 11 HG2 ARG 11 -3.054 -3.399 2.024
75 HD2 ARG 11 HD1 ARG 11 -1.797 -5.044 1.204
76 HD3 ARG 11 HD2 ARG 11 -2.545 -4.822 -0.395
77 HE ARG 11 HE ARG 11 -0.557 -2.870 -0.049
78 HH11 ARG 11 1HH1 ARG 11 -0.873 -6.315 -0.439
79 HH12 ARG 11 2HH1 ARG 11 0.670 -6.503 -1.203
80 HH21 ARG 11 1HH2 ARG 11 1.478 -3.104 -1.054
81 HH22 ARG 11 2HH2 ARG 11 2.007 -4.676 -1.551
82 H LEU 12 HN LEU 12 -6.417 -2.489 -1.214
83 HA LEU 12 HA LEU 12 -6.221 0.079 -2.142
84 HB2 LEU 12 HB1 LEU 12 -7.492 -2.227 -2.952
85 HB3 LEU 12 HB2 LEU 12 -8.841 -1.092 -2.705
86 HG LEU 12 HG LEU 12 -7.832 0.464 -4.291
87 HD11 LEU 12 1HD1 LEU 12 -5.873 -0.176 -5.615
88 HD12 LEU 12 2HD1 LEU 12 -5.688 -1.643 -4.625
89 HD13 LEU 12 3HD1 LEU 12 -5.480 -0.039 -3.884
90 HD21 LEU 12 3HD2 LEU 12 -8.035 -2.357 -5.370
91 HD22 LEU 12 1HD2 LEU 12 -8.131 -0.862 -6.332
92 HD23 LEU 12 2HD2 LEU 12 -9.387 -1.226 -5.125
93 H ALA 13 HN ALA 13 -9.031 -1.242 -0.383
94 HA ALA 13 HA ALA 13 -10.544 1.043 -0.169
95 HB1 ALA 13 HB1 ALA 13 -11.534 0.054 1.856
96 HB2 ALA 13 HB2 ALA 13 -10.206 -1.129 1.911
97 HB3 ALA 13 HB3 ALA 13 -11.350 -1.139 0.548
98 H ASN 14 HN ASN 14 -7.748 0.090 1.748
99 HA ASN 14 HA ASN 14 -8.003 2.148 3.694
100 HB2 ASN 14 HB1 ASN 14 -6.550 -0.105 3.594
101 HB3 ASN 14 HB2 ASN 14 -5.309 1.051 3.053
102 HD21 ASN 14 1HD2 ASN 14 -4.324 2.293 4.525
103 HD22 ASN 14 2HD2 ASN 14 -4.720 2.347 6.207
104 H PHE 15 HN PHE 15 -6.334 1.878 0.609
105 HA PHE 15 HA PHE 15 -4.935 4.363 0.877
106 HB2 PHE 15 HB1 PHE 15 -3.841 2.912 -0.560
107 HB3 PHE 15 HB2 PHE 15 -5.357 2.372 -1.322
108 HD1 PHE 15 HD1 PHE 15 -3.124 5.343 -1.017
109 HD2 PHE 15 HD2 PHE 15 -6.002 3.265 -3.365
110 HE1 PHE 15 HE1 PHE 15 -2.754 6.925 -2.866
111 HE2 PHE 15 HE2 PHE 15 -5.636 4.842 -5.217
112 HZ PHE 15 HZ PHE 15 -4.009 6.675 -4.970
113 H LEU 16 HN LEU 16 -8.083 3.420 -0.127
114 HA LEU 16 HA LEU 16 -8.596 5.802 -1.678
115 HB2 LEU 16 HB1 LEU 16 -10.100 3.353 -0.921
116 HB3 LEU 16 HB2 LEU 16 -11.050 4.810 -1.302
117 HG LEU 16 HG LEU 16 -9.773 4.878 -3.502
118 HD11 LEU 16 1HD1 LEU 16 -8.826 2.757 -4.280
119 HD12 LEU 16 2HD1 LEU 16 -9.081 2.056 -2.665
120 HD13 LEU 16 3HD1 LEU 16 -7.935 3.400 -2.880
121 HD21 LEU 16 3HD2 LEU 16 -11.587 2.523 -2.936
122 HD22 LEU 16 1HD2 LEU 16 -11.236 3.207 -4.541
123 HD23 LEU 16 2HD2 LEU 16 -12.107 4.179 -3.331
124 H VAL 17 HN VAL 17 -9.385 4.564 1.532
125 HA VAL 17 HA VAL 17 -11.004 6.837 2.227
126 HB VAL 17 HB VAL 17 -11.502 4.723 3.277
127 HG11 VAL 17 1HG1 VAL 17 -9.945 3.645 4.843
128 HG12 VAL 17 2HG1 VAL 17 -8.710 4.858 4.434
129 HG13 VAL 17 3HG1 VAL 17 -9.282 3.718 3.193
130 HG21 VAL 17 3HG2 VAL 17 -10.325 6.678 5.265
131 HG22 VAL 17 1HG2 VAL 17 -11.496 5.393 5.644
132 HG23 VAL 17 2HG2 VAL 17 -11.964 6.737 4.576
133 H HIS 18 HN HIS 18 -7.660 5.893 2.584
134 HA HIS 18 HA HIS 18 -7.126 8.247 4.250
135 HB2 HIS 18 HB1 HIS 18 -5.411 5.853 3.555
136 HB3 HIS 18 HB2 HIS 18 -4.858 7.236 4.530
137 HD1 HIS 18 HD1 HIS 18 -5.892 7.474 6.921
138 HD2 HIS 18 HD2 HIS 18 -7.023 4.026 4.898
139 HE1 HIS 18 HE1 HIS 18 -6.919 5.979 8.663
140 H SER 19 HN SER 19 -7.706 9.356 2.070
141 HA SER 19 HA SER 19 -6.080 9.352 -0.150
142 HB2 SER 19 HB1 SER 19 -6.714 11.853 -0.309
143 HB3 SER 19 HB2 SER 19 -8.032 10.655 -0.305
144 HG SER 19 HG SER 19 -8.626 12.144 1.188
145 H SER 20 HN SER 20 -5.493 10.773 2.986
146 HA SER 20 HA SER 20 -3.444 12.544 2.417
147 HB2 SER 20 HB1 SER 20 -3.453 10.746 4.849
148 HB3 SER 20 HB2 SER 20 -2.817 12.403 4.710
149 HG SER 20 HG SER 20 -5.051 11.948 5.685
150 H ASN 21 HN ASN 21 -3.294 9.047 2.917
151 HA ASN 21 HA ASN 21 -0.573 8.645 2.999
152 HB2 ASN 21 HB1 ASN 21 -2.853 7.015 1.924
153 HB3 ASN 21 HB2 ASN 21 -1.181 6.451 1.691
154 HD21 ASN 21 1HD2 ASN 21 0.136 6.776 3.852
155 HD22 ASN 21 2HD2 ASN 21 -0.619 6.087 5.245
156 H ASN 22 HN ASN 22 -2.583 9.446 0.257
157 HA ASN 22 HA ASN 22 -0.959 8.737 -1.864
158 HB2 ASN 22 HB1 ASN 22 -3.228 9.606 -2.156
159 HB3 ASN 22 HB2 ASN 22 -2.696 11.207 -1.586
160 HD21 ASN 22 1HD2 ASN 22 -1.108 8.932 -3.791
161 HD22 ASN 22 2HD2 ASN 22 -1.069 10.000 -5.149
162 H PHE 23 HN PHE 23 -0.847 11.662 0.129
163 HA PHE 23 HA PHE 23 1.457 12.668 -1.320
164 HB2 PHE 23 HB1 PHE 23 -0.600 13.831 0.194
165 HB3 PHE 23 HB2 PHE 23 0.886 14.078 1.141
166 HD1 PHE 23 HD2 PHE 23 2.953 14.614 -0.690
167 HD2 PHE 23 HD1 PHE 23 -1.146 15.716 -0.995
168 HE1 PHE 23 HE2 PHE 23 3.571 16.499 -2.147
169 HE2 PHE 23 HE1 PHE 23 -0.535 17.601 -2.454
170 HZ PHE 23 HZ PHE 23 1.827 17.995 -3.030
171 H GLY 24 HN GLY 24 0.703 11.507 1.952
172 HA2 GLY 24 HA1 GLY 24 3.219 11.831 3.102
173 HA3 GLY 24 HA2 GLY 24 2.046 10.614 3.585
174 H ALA 25 HN ALA 25 2.134 9.478 0.797
175 HA ALA 25 HA ALA 25 3.905 7.389 1.240
176 HB1 ALA 25 HB1 ALA 25 3.610 6.831 -1.139
177 HB2 ALA 25 HB2 ALA 25 2.859 8.423 -1.404
178 HB3 ALA 25 HB3 ALA 25 2.067 7.231 -0.346
179 H ILE 26 HN ILE 26 4.463 10.533 -0.151
180 HA ILE 26 HA ILE 26 7.031 9.845 -1.267
181 HB ILE 26 HB ILE 26 5.777 12.556 -0.819
182 HG12 ILE 26 1HG1 ILE 26 5.822 12.144 -3.516
183 HG13 ILE 26 2HG1 ILE 26 5.528 10.493 -2.918
184 HG21 ILE 26 1HG2 ILE 26 7.451 13.370 -2.425
185 HG22 ILE 26 2HG2 ILE 26 8.183 11.749 -2.463
186 HG23 ILE 26 3HG2 ILE 26 8.204 12.700 -0.959
187 HD11 ILE 26 3HD1 ILE 26 3.574 11.293 -1.670
188 HD12 ILE 26 1HD1 ILE 26 3.430 11.650 -3.408
189 HD13 ILE 26 2HD1 ILE 26 3.868 12.944 -2.267
190 H LEU 27 HN LEU 27 5.807 11.003 1.752
191 HA LEU 27 HA LEU 27 8.354 12.007 2.678
192 HB2 LEU 27 HB1 LEU 27 5.614 11.713 3.848
193 HB3 LEU 27 HB2 LEU 27 7.006 11.967 4.929
194 HG LEU 27 HG LEU 27 6.637 13.862 2.658
195 HD11 LEU 27 1HD1 LEU 27 5.079 15.222 3.968
196 HD12 LEU 27 2HD1 LEU 27 4.978 13.928 5.185
197 HD13 LEU 27 3HD1 LEU 27 4.369 13.649 3.536
198 HD21 LEU 27 3HD2 LEU 27 7.504 14.157 5.540
199 HD22 LEU 27 1HD2 LEU 27 7.511 15.444 4.311
200 HD23 LEU 27 2HD2 LEU 27 8.579 14.031 4.127
201 H SER 28 HN SER 28 6.337 9.152 3.190
202 HA SER 28 HA SER 28 8.264 7.994 5.024
203 HB2 SER 28 HB1 SER 28 5.957 7.592 5.553
204 HB3 SER 28 HB2 SER 28 5.631 6.996 3.907
205 HG SER 28 HG SER 28 6.045 5.418 5.745
206 H SER 29 HN SER 29 7.150 7.546 1.714
207 HA SER 29 HA SER 29 7.978 6.359 -0.041
208 HB2 SER 29 HB1 SER 29 10.201 7.460 1.330
209 HB3 SER 29 HB2 SER 29 10.647 5.795 0.886
210 HG SER 29 HG SER 29 11.053 7.481 -0.742
211 H THR 30 HN THR 30 6.863 4.967 2.327
212 HA THR 30 HA THR 30 8.309 2.540 2.707
213 HB THR 30 HB THR 30 6.700 3.375 4.378
214 HG1 THR 30 HG1 THR 30 6.878 1.277 4.749
215 HG21 THR 30 3HG2 THR 30 5.000 4.269 2.857
216 HG22 THR 30 1HG2 THR 30 4.284 3.107 3.998
217 HG23 THR 30 2HG2 THR 30 4.609 2.619 2.318
218 H ASN 31 HN ASN 31 6.027 3.663 0.359
219 HA ASN 31 HA ASN 31 5.893 0.954 -0.795
220 HB2 ASN 31 HB1 ASN 31 3.690 1.738 -0.097
221 HB3 ASN 31 HB2 ASN 31 3.910 3.235 -1.036
222 HD21 ASN 31 1HD2 ASN 31 2.423 3.083 -2.582
223 HD22 ASN 31 2HD2 ASN 31 2.257 1.769 -3.692
224 H VAL 32 HN VAL 32 6.647 4.300 -1.321
225 HA VAL 32 HA VAL 32 6.974 3.960 -4.189
226 HB VAL 32 HB VAL 32 7.565 6.346 -2.430
227 HG11 VAL 32 1HG1 VAL 32 7.672 7.617 -4.531
228 HG12 VAL 32 2HG1 VAL 32 7.479 6.102 -5.445
229 HG13 VAL 32 3HG1 VAL 32 8.931 6.362 -4.449
230 HG21 VAL 32 3HG2 VAL 32 5.224 5.759 -4.257
231 HG22 VAL 32 1HG2 VAL 32 5.507 7.288 -3.391
232 HG23 VAL 32 2HG2 VAL 32 5.188 5.795 -2.478
233 H GLY 33 HN GLY 33 9.153 5.422 -1.776
234 HA2 GLY 33 HA1 GLY 33 11.498 4.928 -3.228
235 HA3 GLY 33 HA2 GLY 33 11.425 5.272 -1.506
236 H SER 34 HN SER 34 9.761 2.922 -0.942
237 HA SER 34 HA SER 34 11.708 1.102 -0.222
238 HB2 SER 34 HB1 SER 34 9.276 1.238 0.565
239 HB3 SER 34 HB2 SER 34 8.873 0.284 -0.883
240 HG SER 34 HG SER 34 10.132 -1.386 -0.107
241 H ASN 35 HN ASN 35 9.853 1.305 -3.202
242 HA ASN 35 HA ASN 35 10.387 -1.155 -4.336
243 HB2 ASN 35 HB1 ASN 35 9.047 0.981 -5.184
244 HB3 ASN 35 HB2 ASN 35 10.555 1.260 -6.088
245 HD21 ASN 35 1HD2 ASN 35 8.334 0.866 -7.516
246 HD22 ASN 35 2HD2 ASN 35 8.329 -0.697 -8.253
247 H THR 36 HN THR 36 12.583 1.320 -3.551
248 HA THR 36 HA THR 36 14.655 0.098 -5.255
249 HB THR 36 HB THR 36 14.565 2.900 -4.117
250 HG1 THR 36 HG1 THR 36 13.938 1.763 -6.595
251 HG21 THR 36 3HG2 THR 36 16.855 2.035 -4.182
252 HG22 THR 36 1HG2 THR 36 16.612 3.288 -5.421
253 HG23 THR 36 2HG2 THR 36 16.635 1.570 -5.885
254 H TYR 37 HN TYR 37 14.167 1.674 -2.097
255 HA TYR 37 HA TYR 37 16.443 0.124 -1.059
256 HB2 TYR 37 HB1 TYR 37 15.163 2.649 0.019
257 HB3 TYR 37 HB2 TYR 37 16.527 1.784 0.768
258 HD1 TYR 37 HD1 TYR 37 15.502 3.622 -2.309
259 HD2 TYR 37 HD2 TYR 37 18.736 2.211 0.069
260 HE1 TYR 37 HE1 TYR 37 17.074 4.916 -3.689
261 HE2 TYR 37 HE2 TYR 37 20.316 3.503 -1.302
262 HH TYR 37 HH TYR 37 19.807 5.874 -2.955
263 HN1 NH2 38 HN1 NH2 37 12.863 1.264 -0.197
264 HN2 NH2 38 HN2 NH2 37 12.594 -0.128 0.996
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 4.069 -8.334 6.017
2 H2 LYS 1 HT2 LYS 1 3.840 -8.318 4.285
3 H3 LYS 1 HT3 LYS 1 3.283 -9.680 5.228
4 HA LYS 1 HA LYS 1 1.710 -8.300 6.337
5 HB2 LYS 1 HB1 LYS 1 3.360 -6.220 5.393
6 HB3 LYS 1 HB2 LYS 1 1.795 -6.020 4.569
7 HG2 LYS 1 HG1 LYS 1 1.086 -6.528 7.200
8 HG3 LYS 1 HG2 LYS 1 2.538 -5.507 7.344
9 HD2 LYS 1 HD1 LYS 1 1.546 -3.802 5.952
10 HD3 LYS 1 HD2 LYS 1 0.147 -4.845 5.598
11 HE2 LYS 1 HE1 LYS 1 0.908 -3.862 8.366
12 HE3 LYS 1 HE2 LYS 1 -0.306 -3.089 7.318
13 HZ1 LYS 1 HZ1 LYS 1 -0.767 -5.091 9.111
14 HZ2 LYS 1 HZ2 LYS 1 -0.747 -5.904 7.628
15 HZ3 LYS 1 HZ3 LYS 1 -1.811 -4.612 7.868
16 H CYS 2 HN CYS 2 -0.124 -9.122 5.599
17 HA CYS 2 HA CYS 2 -1.749 -9.890 4.205
18 HB2 CYS 2 HB1 CYS 2 -0.868 -7.317 3.076
19 HB3 CYS 2 HB2 CYS 2 -1.701 -8.386 1.921
20 H ASN 3 HN ASN 3 -0.786 -11.893 3.788
21 HA ASN 3 HA ASN 3 0.760 -12.103 1.298
22 HB2 ASN 3 HB1 ASN 3 0.552 -13.838 3.750
23 HB3 ASN 3 HB2 ASN 3 1.154 -14.503 2.213
24 HD21 ASN 3 1HD2 ASN 3 2.810 -12.911 1.154
25 HD22 ASN 3 2HD2 ASN 3 4.068 -12.376 2.210
26 H THR 4 HN THR 4 -1.677 -11.657 0.573
27 HA THR 4 HA THR 4 -2.573 -14.156 -0.549
28 HB THR 4 HB THR 4 -4.952 -12.944 0.496
29 HG1 THR 4 HG1 THR 4 -3.277 -13.896 2.568
30 HG21 THR 4 3HG2 THR 4 -4.759 -15.263 -0.271
31 HG22 THR 4 1HG2 THR 4 -5.315 -15.195 1.418
32 HG23 THR 4 2HG2 THR 4 -3.623 -15.610 1.055
33 H ALA 5 HN ALA 5 -4.790 -13.638 -1.774
34 HA ALA 5 HA ALA 5 -4.167 -11.350 -3.467
35 HB1 ALA 5 HB1 ALA 5 -5.816 -12.310 -5.021
36 HB2 ALA 5 HB2 ALA 5 -6.176 -13.582 -3.830
37 HB3 ALA 5 HB3 ALA 5 -4.559 -13.484 -4.567
38 H THR 6 HN THR 6 -6.927 -12.654 -1.645
39 HA THR 6 HA THR 6 -8.785 -10.669 -2.193
40 HB THR 6 HB THR 6 -9.479 -12.660 -1.039
41 HG1 THR 6 HG1 THR 6 -10.375 -10.408 -0.473
42 HG21 THR 6 3HG2 THR 6 -7.425 -13.106 0.219
43 HG22 THR 6 1HG2 THR 6 -8.844 -13.122 1.292
44 HG23 THR 6 2HG2 THR 6 -7.761 -11.709 1.269
45 H CYS 7 HN CYS 7 -6.057 -10.640 -0.018
46 HA CYS 7 HA CYS 7 -6.682 -8.582 1.702
47 HB2 CYS 7 HB1 CYS 7 -4.315 -9.943 0.837
48 HB3 CYS 7 HB2 CYS 7 -3.980 -8.197 0.919
49 H ALA 8 HN ALA 8 -5.819 -8.425 -1.675
50 HA ALA 8 HA ALA 8 -5.024 -5.845 -2.050
51 HB1 ALA 8 HB1 ALA 8 -6.064 -5.944 -4.276
52 HB2 ALA 8 HB2 ALA 8 -6.970 -7.391 -3.773
53 HB3 ALA 8 HB3 ALA 8 -5.194 -7.444 -3.874
54 H THR 9 HN THR 9 -8.325 -6.991 -1.526
55 HA THR 9 HA THR 9 -9.684 -4.600 -2.017
56 HB THR 9 HB THR 9 -10.730 -6.274 0.187
57 HG1 THR 9 HG1 THR 9 -10.752 -7.354 -2.428
58 HG21 THR 9 3HG2 THR 9 -12.087 -4.534 -0.880
59 HG22 THR 9 1HG2 THR 9 -12.783 -6.147 -1.164
60 HG23 THR 9 2HG2 THR 9 -11.873 -5.330 -2.457
61 H GLN 10 HN GLN 10 -8.286 -5.865 0.989
62 HA GLN 10 HA GLN 10 -9.150 -3.755 2.649
63 HB2 GLN 10 HB1 GLN 10 -8.324 -6.000 3.415
64 HB3 GLN 10 HB2 GLN 10 -6.676 -5.456 3.019
65 HG2 GLN 10 HG1 GLN 10 -6.526 -4.136 4.843
66 HG3 GLN 10 HG2 GLN 10 -8.242 -3.665 4.779
67 HE21 GLN 10 1HE2 GLN 10 -6.573 -4.545 7.035
68 HE22 GLN 10 2HE2 GLN 10 -7.386 -5.906 7.718
69 H ARG 11 HN ARG 11 -5.997 -4.348 1.100
70 HA ARG 11 HA ARG 11 -4.698 -2.050 1.957
71 HB2 ARG 11 HB1 ARG 11 -4.274 -4.112 -0.011
72 HB3 ARG 11 HB2 ARG 11 -3.815 -2.527 -0.679
73 HG2 ARG 11 HG1 ARG 11 -2.076 -2.258 0.776
74 HG3 ARG 11 HG2 ARG 11 -2.857 -3.212 2.061
75 HD2 ARG 11 HD1 ARG 11 -1.729 -5.032 1.448
76 HD3 ARG 11 HD2 ARG 11 -2.362 -4.902 -0.211
77 HE ARG 11 HE ARG 11 -0.342 -3.062 -0.099
78 HH11 ARG 11 1HH1 ARG 11 -0.598 -6.476 0.535
79 HH12 ARG 11 2HH1 ARG 11 1.037 -6.816 0.076
80 HH21 ARG 11 1HH2 ARG 11 1.813 -3.498 -0.707
81 HH22 ARG 11 2HH2 ARG 11 2.409 -5.122 -0.629
82 H LEU 12 HN LEU 12 -6.174 -2.510 -1.261
83 HA LEU 12 HA LEU 12 -5.983 0.055 -2.201
84 HB2 LEU 12 HB1 LEU 12 -7.212 -2.270 -3.022
85 HB3 LEU 12 HB2 LEU 12 -8.579 -1.149 -2.811
86 HG LEU 12 HG LEU 12 -7.554 0.409 -4.386
87 HD11 LEU 12 1HD1 LEU 12 -5.559 -0.218 -5.663
88 HD12 LEU 12 2HD1 LEU 12 -5.380 -1.676 -4.659
89 HD13 LEU 12 3HD1 LEU 12 -5.206 -0.064 -3.925
90 HD21 LEU 12 3HD2 LEU 12 -7.703 -2.421 -5.450
91 HD22 LEU 12 1HD2 LEU 12 -7.795 -0.935 -6.424
92 HD23 LEU 12 2HD2 LEU 12 -9.073 -1.304 -5.242
93 H ALA 13 HN ALA 13 -8.816 -1.286 -0.493
94 HA ALA 13 HA ALA 13 -10.358 0.982 -0.324
95 HB1 ALA 13 HB1 ALA 13 -11.379 -0.004 1.686
96 HB2 ALA 13 HB2 ALA 13 -10.041 -1.173 1.775
97 HB3 ALA 13 HB3 ALA 13 -11.156 -1.202 0.389
98 H ASN 14 HN ASN 14 -7.593 0.071 1.655
99 HA ASN 14 HA ASN 14 -7.910 2.136 3.584
100 HB2 ASN 14 HB1 ASN 14 -6.318 -0.107 3.344
101 HB3 ASN 14 HB2 ASN 14 -5.157 1.227 3.143
102 HD21 ASN 14 1HD2 ASN 14 -7.458 -0.287 5.288
103 HD22 ASN 14 2HD2 ASN 14 -6.926 0.494 6.735
104 H PHE 15 HN PHE 15 -6.173 1.867 0.536
105 HA PHE 15 HA PHE 15 -4.808 4.371 0.818
106 HB2 PHE 15 HB1 PHE 15 -3.670 2.920 -0.587
107 HB3 PHE 15 HB2 PHE 15 -5.164 2.362 -1.378
108 HD1 PHE 15 HD1 PHE 15 -2.969 5.360 -1.045
109 HD2 PHE 15 HD2 PHE 15 -5.774 3.234 -3.438
110 HE1 PHE 15 HE1 PHE 15 -2.577 6.935 -2.894
111 HE2 PHE 15 HE2 PHE 15 -5.386 4.806 -5.292
112 HZ PHE 15 HZ PHE 15 -3.786 6.658 -5.022
113 H LEU 16 HN LEU 16 -7.925 3.386 -0.246
114 HA LEU 16 HA LEU 16 -8.431 5.754 -1.822
115 HB2 LEU 16 HB1 LEU 16 -9.921 3.293 -1.081
116 HB3 LEU 16 HB2 LEU 16 -10.881 4.736 -1.487
117 HG LEU 16 HG LEU 16 -9.564 4.810 -3.663
118 HD11 LEU 16 1HD1 LEU 16 -8.573 2.697 -4.411
119 HD12 LEU 16 2HD1 LEU 16 -8.850 2.001 -2.797
120 HD13 LEU 16 3HD1 LEU 16 -7.719 3.360 -2.997
121 HD21 LEU 16 3HD2 LEU 16 -11.357 2.433 -3.118
122 HD22 LEU 16 1HD2 LEU 16 -10.986 3.114 -4.720
123 HD23 LEU 16 2HD2 LEU 16 -11.892 4.080 -3.531
124 H VAL 17 HN VAL 17 -9.275 4.526 1.379
125 HA VAL 17 HA VAL 17 -10.930 6.785 2.026
126 HB VAL 17 HB VAL 17 -11.429 4.674 3.081
127 HG11 VAL 17 1HG1 VAL 17 -9.894 3.621 4.684
128 HG12 VAL 17 2HG1 VAL 17 -8.661 4.844 4.291
129 HG13 VAL 17 3HG1 VAL 17 -9.199 3.690 3.047
130 HG21 VAL 17 3HG2 VAL 17 -10.313 6.653 5.081
131 HG22 VAL 17 1HG2 VAL 17 -11.477 5.356 5.442
132 HG23 VAL 17 2HG2 VAL 17 -11.938 6.689 4.358
133 H HIS 18 HN HIS 18 -7.586 5.880 2.458
134 HA HIS 18 HA HIS 18 -7.110 8.250 4.119
135 HB2 HIS 18 HB1 HIS 18 -5.355 5.871 3.477
136 HB3 HIS 18 HB2 HIS 18 -4.838 7.265 4.455
137 HD1 HIS 18 HD1 HIS 18 -5.926 7.506 6.821
138 HD2 HIS 18 HD2 HIS 18 -6.975 4.034 4.797
139 HE1 HIS 18 HE1 HIS 18 -6.973 6.010 8.551
140 H SER 19 HN SER 19 -7.655 9.340 1.922
141 HA SER 19 HA SER 19 -5.984 9.339 -0.265
142 HB2 SER 19 HB1 SER 19 -6.625 12.010 -0.041
143 HB3 SER 19 HB2 SER 19 -7.656 10.762 -0.781
144 HG SER 19 HG SER 19 -8.914 10.753 0.957
145 H SER 20 HN SER 20 -5.476 10.784 2.875
146 HA SER 20 HA SER 20 -3.434 12.573 2.337
147 HB2 SER 20 HB1 SER 20 -2.725 11.350 4.770
148 HB3 SER 20 HB2 SER 20 -3.707 12.819 4.549
149 HG SER 20 HG SER 20 -4.477 10.449 5.488
150 H ASN 21 HN ASN 21 -3.258 9.080 2.859
151 HA ASN 21 HA ASN 21 -0.535 8.706 2.999
152 HB2 ASN 21 HB1 ASN 21 -2.776 7.049 1.886
153 HB3 ASN 21 HB2 ASN 21 -1.094 6.499 1.689
154 HD21 ASN 21 1HD2 ASN 21 0.178 6.833 3.869
155 HD22 ASN 21 2HD2 ASN 21 -0.599 6.149 5.253
156 H ASN 22 HN ASN 22 -2.496 9.472 0.213
157 HA ASN 22 HA ASN 22 -0.822 8.769 -1.871
158 HB2 ASN 22 HB1 ASN 22 -3.092 9.614 -2.217
159 HB3 ASN 22 HB2 ASN 22 -2.589 11.223 -1.643
160 HD21 ASN 22 1HD2 ASN 22 -0.932 8.955 -3.802
161 HD22 ASN 22 2HD2 ASN 22 -0.875 10.017 -5.163
162 H PHE 23 HN PHE 23 -0.782 11.705 0.109
163 HA PHE 23 HA PHE 23 1.541 12.728 -1.297
164 HB2 PHE 23 HB1 PHE 23 -0.556 13.926 0.035
165 HB3 PHE 23 HB2 PHE 23 0.789 14.079 1.191
166 HD1 PHE 23 HD2 PHE 23 3.103 14.526 -0.450
167 HD2 PHE 23 HD1 PHE 23 -0.866 15.968 -0.985
168 HE1 PHE 23 HE2 PHE 23 3.975 16.445 -1.717
169 HE2 PHE 23 HE1 PHE 23 0.001 17.891 -2.255
170 HZ PHE 23 HZ PHE 23 2.425 18.131 -2.622
171 H GLY 24 HN GLY 24 0.732 11.574 1.965
172 HA2 GLY 24 HA1 GLY 24 3.221 11.932 3.162
173 HA3 GLY 24 HA2 GLY 24 2.052 10.705 3.629
174 H ALA 25 HN ALA 25 2.209 9.558 0.848
175 HA ALA 25 HA ALA 25 3.989 7.489 1.336
176 HB1 ALA 25 HB1 ALA 25 3.751 6.916 -1.044
177 HB2 ALA 25 HB2 ALA 25 2.990 8.498 -1.335
178 HB3 ALA 25 HB3 ALA 25 2.187 7.304 -0.288
179 H ILE 26 HN ILE 26 4.547 10.630 -0.056
180 HA ILE 26 HA ILE 26 7.143 9.962 -1.116
181 HB ILE 26 HB ILE 26 5.855 12.663 -0.708
182 HG12 ILE 26 1HG1 ILE 26 5.959 12.241 -3.398
183 HG13 ILE 26 2HG1 ILE 26 5.669 10.589 -2.800
184 HG21 ILE 26 1HG2 ILE 26 7.553 13.485 -2.283
185 HG22 ILE 26 2HG2 ILE 26 8.303 11.871 -2.298
186 HG23 ILE 26 3HG2 ILE 26 8.283 12.830 -0.798
187 HD11 ILE 26 3HD1 ILE 26 3.681 11.374 -1.598
188 HD12 ILE 26 1HD1 ILE 26 3.571 11.723 -3.339
189 HD13 ILE 26 2HD1 ILE 26 3.971 13.025 -2.195
190 H LEU 27 HN LEU 27 5.847 11.119 1.874
191 HA LEU 27 HA LEU 27 8.363 12.155 2.846
192 HB2 LEU 27 HB1 LEU 27 5.618 12.342 3.579
193 HB3 LEU 27 HB2 LEU 27 6.515 11.680 4.968
194 HG LEU 27 HG LEU 27 7.681 14.077 3.672
195 HD11 LEU 27 1HD1 LEU 27 6.158 15.600 4.842
196 HD12 LEU 27 2HD1 LEU 27 5.152 14.214 5.326
197 HD13 LEU 27 3HD1 LEU 27 5.308 14.642 3.606
198 HD21 LEU 27 3HD2 LEU 27 7.189 13.247 6.542
199 HD22 LEU 27 1HD2 LEU 27 8.120 14.668 6.012
200 HD23 LEU 27 2HD2 LEU 27 8.702 13.031 5.630
201 H SER 28 HN SER 28 6.375 9.272 3.306
202 HA SER 28 HA SER 28 8.261 8.145 5.201
203 HB2 SER 28 HB1 SER 28 5.519 7.559 4.304
204 HB3 SER 28 HB2 SER 28 6.514 6.110 4.585
205 HG SER 28 HG SER 28 7.057 7.219 6.665
206 H SER 29 HN SER 29 7.238 7.653 1.864
207 HA SER 29 HA SER 29 8.132 6.467 0.140
208 HB2 SER 29 HB1 SER 29 10.763 6.307 1.581
209 HB3 SER 29 HB2 SER 29 10.437 6.584 -0.147
210 HG SER 29 HG SER 29 11.128 8.466 1.159
211 H THR 30 HN THR 30 6.952 5.039 2.393
212 HA THR 30 HA THR 30 8.520 2.640 2.751
213 HB THR 30 HB THR 30 7.098 3.435 4.581
214 HG1 THR 30 HG1 THR 30 7.429 1.048 3.951
215 HG21 THR 30 3HG2 THR 30 5.287 4.424 3.257
216 HG22 THR 30 1HG2 THR 30 4.647 3.252 4.433
217 HG23 THR 30 2HG2 THR 30 4.792 2.802 2.718
218 H ASN 31 HN ASN 31 5.901 3.735 0.725
219 HA ASN 31 HA ASN 31 5.621 1.033 -0.399
220 HB2 ASN 31 HB1 ASN 31 3.487 1.724 -1.286
221 HB3 ASN 31 HB2 ASN 31 3.553 2.143 0.443
222 HD21 ASN 31 1HD2 ASN 31 3.163 3.297 -2.743
223 HD22 ASN 31 2HD2 ASN 31 3.020 4.978 -2.371
224 H VAL 32 HN VAL 32 6.519 4.317 -1.117
225 HA VAL 32 HA VAL 32 6.762 3.759 -3.970
226 HB VAL 32 HB VAL 32 7.398 6.310 -2.484
227 HG11 VAL 32 1HG1 VAL 32 7.264 7.357 -4.703
228 HG12 VAL 32 2HG1 VAL 32 7.007 5.754 -5.431
229 HG13 VAL 32 3HG1 VAL 32 8.550 6.129 -4.626
230 HG21 VAL 32 3HG2 VAL 32 4.895 5.513 -3.986
231 HG22 VAL 32 1HG2 VAL 32 5.231 7.126 -3.314
232 HG23 VAL 32 2HG2 VAL 32 5.041 5.731 -2.226
233 H GLY 33 HN GLY 33 8.874 5.084 -1.410
234 HA2 GLY 33 HA1 GLY 33 11.262 4.806 -2.890
235 HA3 GLY 33 HA2 GLY 33 11.153 5.008 -1.148
236 H SER 34 HN SER 34 9.961 2.794 -0.250
237 HA SER 34 HA SER 34 11.976 0.888 -0.200
238 HB2 SER 34 HB1 SER 34 9.921 1.213 1.362
239 HB3 SER 34 HB2 SER 34 9.091 0.125 0.223
240 HG SER 34 HG SER 34 9.977 -1.355 1.461
241 H ASN 35 HN ASN 35 9.361 1.311 -2.451
242 HA ASN 35 HA ASN 35 9.131 -1.199 -3.580
243 HB2 ASN 35 HB1 ASN 35 7.977 1.139 -4.105
244 HB3 ASN 35 HB2 ASN 35 9.186 1.161 -5.412
245 HD21 ASN 35 1HD2 ASN 35 6.729 -0.946 -3.945
246 HD22 ASN 35 2HD2 ASN 35 6.211 -1.666 -5.428
247 H THR 36 HN THR 36 11.838 0.858 -3.561
248 HA THR 36 HA THR 36 13.213 -0.926 -5.443
249 HB THR 36 HB THR 36 14.547 1.243 -6.093
250 HG1 THR 36 HG1 THR 36 11.992 2.392 -5.648
251 HG21 THR 36 3HG2 THR 36 13.291 -0.148 -7.671
252 HG22 THR 36 1HG2 THR 36 13.050 1.582 -8.016
253 HG23 THR 36 2HG2 THR 36 11.780 0.655 -7.182
254 H TYR 37 HN TYR 37 13.616 1.655 -3.032
255 HA TYR 37 HA TYR 37 16.075 0.302 -2.131
256 HB2 TYR 37 HB1 TYR 37 15.355 3.234 -2.186
257 HB3 TYR 37 HB2 TYR 37 16.689 2.595 -1.196
258 HD1 TYR 37 HD1 TYR 37 15.462 2.915 -4.695
259 HD2 TYR 37 HD2 TYR 37 18.794 2.145 -2.165
260 HE1 TYR 37 HE1 TYR 37 16.961 3.045 -6.641
261 HE2 TYR 37 HE2 TYR 37 20.304 2.274 -4.102
262 HH TYR 37 HH TYR 37 19.556 3.631 -6.927
263 HN1 NH2 38 HN1 NH2 37 12.695 0.433 -1.306
264 HN2 NH2 38 HN2 NH2 37 12.865 0.496 0.538
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 2.304 -13.884 4.793
2 H2 LYS 1 HT2 LYS 1 1.312 -14.675 3.592
3 H3 LYS 1 HT3 LYS 1 0.590 -13.555 4.723
4 HA LYS 1 HA LYS 1 1.844 -11.771 3.794
5 HB2 LYS 1 HB1 LYS 1 3.180 -12.069 1.778
6 HB3 LYS 1 HB2 LYS 1 3.812 -13.074 3.105
7 HG2 LYS 1 HG1 LYS 1 3.831 -14.723 1.592
8 HG3 LYS 1 HG2 LYS 1 2.073 -14.792 1.861
9 HD2 LYS 1 HD1 LYS 1 2.076 -12.868 0.031
10 HD3 LYS 1 HD2 LYS 1 3.622 -13.627 -0.419
11 HE2 LYS 1 HE1 LYS 1 1.111 -15.259 -0.036
12 HE3 LYS 1 HE2 LYS 1 1.474 -14.455 -1.583
13 HZ1 LYS 1 HZ1 LYS 1 3.645 -15.650 -1.544
14 HZ2 LYS 1 HZ2 LYS 1 2.300 -16.665 -1.689
15 HZ3 LYS 1 HZ3 LYS 1 3.100 -16.529 -0.204
16 H CYS 2 HN CYS 2 1.241 -10.705 1.690
17 HA CYS 2 HA CYS 2 -0.864 -11.971 0.165
18 HB2 CYS 2 HB1 CYS 2 -1.425 -10.131 2.361
19 HB3 CYS 2 HB2 CYS 2 -2.105 -9.578 0.812
20 H ASN 3 HN ASN 3 -0.698 -11.335 -1.880
21 HA ASN 3 HA ASN 3 0.524 -8.711 -2.437
22 HB2 ASN 3 HB1 ASN 3 1.036 -11.404 -3.665
23 HB3 ASN 3 HB2 ASN 3 1.268 -9.928 -4.634
24 HD21 ASN 3 1HD2 ASN 3 2.585 -8.208 -3.465
25 HD22 ASN 3 2HD2 ASN 3 4.000 -8.756 -2.642
26 H THR 4 HN THR 4 -1.237 -11.282 -4.179
27 HA THR 4 HA THR 4 -3.015 -9.192 -5.257
28 HB THR 4 HB THR 4 -1.495 -10.098 -6.993
29 HG1 THR 4 HG1 THR 4 -3.239 -9.559 -8.079
30 HG21 THR 4 3HG2 THR 4 -1.214 -12.363 -6.102
31 HG22 THR 4 1HG2 THR 4 -1.802 -12.408 -7.781
32 HG23 THR 4 2HG2 THR 4 -2.927 -12.709 -6.436
33 H ALA 5 HN ALA 5 -3.320 -10.908 -2.877
34 HA ALA 5 HA ALA 5 -5.459 -12.740 -3.644
35 HB1 ALA 5 HB1 ALA 5 -5.422 -13.446 -1.287
36 HB2 ALA 5 HB2 ALA 5 -4.191 -12.205 -0.950
37 HB3 ALA 5 HB3 ALA 5 -3.817 -13.556 -2.047
38 H THR 6 HN THR 6 -7.148 -12.677 -1.537
39 HA THR 6 HA THR 6 -8.937 -10.656 -2.139
40 HB THR 6 HB THR 6 -8.835 -11.889 0.604
41 HG1 THR 6 HG1 THR 6 -9.475 -13.785 -0.206
42 HG21 THR 6 3HG2 THR 6 -10.577 -10.218 0.180
43 HG22 THR 6 1HG2 THR 6 -11.284 -11.838 0.378
44 HG23 THR 6 2HG2 THR 6 -11.112 -11.136 -1.248
45 H CYS 7 HN CYS 7 -6.235 -10.634 0.051
46 HA CYS 7 HA CYS 7 -6.853 -8.572 1.770
47 HB2 CYS 7 HB1 CYS 7 -4.183 -9.139 0.460
48 HB3 CYS 7 HB2 CYS 7 -4.429 -8.136 1.910
49 H ALA 8 HN ALA 8 -5.993 -8.424 -1.610
50 HA ALA 8 HA ALA 8 -5.188 -5.848 -1.991
51 HB1 ALA 8 HB1 ALA 8 -6.235 -5.948 -4.217
52 HB2 ALA 8 HB2 ALA 8 -7.148 -7.388 -3.706
53 HB3 ALA 8 HB3 ALA 8 -5.372 -7.451 -3.813
54 H THR 9 HN THR 9 -8.492 -6.978 -1.451
55 HA THR 9 HA THR 9 -9.843 -4.581 -1.945
56 HB THR 9 HB THR 9 -10.886 -6.247 0.270
57 HG1 THR 9 HG1 THR 9 -11.030 -8.067 -0.872
58 HG21 THR 9 3HG2 THR 9 -12.241 -4.503 -0.789
59 HG22 THR 9 1HG2 THR 9 -12.945 -6.113 -1.069
60 HG23 THR 9 2HG2 THR 9 -12.040 -5.300 -2.367
61 H GLN 10 HN GLN 10 -8.447 -5.845 1.063
62 HA GLN 10 HA GLN 10 -9.292 -3.724 2.718
63 HB2 GLN 10 HB1 GLN 10 -7.761 -6.110 2.983
64 HB3 GLN 10 HB2 GLN 10 -6.813 -4.770 3.672
65 HG2 GLN 10 HG1 GLN 10 -9.267 -4.270 4.729
66 HG3 GLN 10 HG2 GLN 10 -9.293 -6.048 4.628
67 HE21 GLN 10 1HE2 GLN 10 -8.057 -7.224 5.998
68 HE22 GLN 10 2HE2 GLN 10 -7.088 -6.547 7.259
69 H ARG 11 HN ARG 11 -6.147 -4.342 1.159
70 HA ARG 11 HA ARG 11 -4.829 -2.051 2.005
71 HB2 ARG 11 HB1 ARG 11 -4.489 -4.055 -0.101
72 HB3 ARG 11 HB2 ARG 11 -3.848 -2.455 -0.548
73 HG2 ARG 11 HG1 ARG 11 -2.169 -2.551 0.973
74 HG3 ARG 11 HG2 ARG 11 -3.141 -3.461 2.154
75 HD2 ARG 11 HD1 ARG 11 -1.898 -5.230 1.558
76 HD3 ARG 11 HD2 ARG 11 -2.890 -5.255 0.079
77 HE ARG 11 HE ARG 11 -0.596 -3.523 -0.087
78 HH11 ARG 11 1HH1 ARG 11 -1.764 -6.779 -0.475
79 HH12 ARG 11 2HH1 ARG 11 -0.519 -7.231 -1.593
80 HH21 ARG 11 1HH2 ARG 11 1.048 -4.106 -1.557
81 HH22 ARG 11 2HH2 ARG 11 1.080 -5.710 -2.207
82 H LEU 12 HN LEU 12 -6.322 -2.508 -1.206
83 HA LEU 12 HA LEU 12 -6.120 0.055 -2.152
84 HB2 LEU 12 HB1 LEU 12 -7.366 -2.264 -2.963
85 HB3 LEU 12 HB2 LEU 12 -8.725 -1.134 -2.747
86 HG LEU 12 HG LEU 12 -7.698 0.415 -4.329
87 HD11 LEU 12 1HD1 LEU 12 -5.714 -0.226 -5.616
88 HD12 LEU 12 2HD1 LEU 12 -5.540 -1.685 -4.612
89 HD13 LEU 12 3HD1 LEU 12 -5.350 -0.073 -3.881
90 HD21 LEU 12 3HD2 LEU 12 -7.872 -2.413 -5.389
91 HD22 LEU 12 1HD2 LEU 12 -7.958 -0.926 -6.364
92 HD23 LEU 12 2HD2 LEU 12 -9.232 -1.285 -5.174
93 H ALA 13 HN ALA 13 -8.952 -1.264 -0.428
94 HA ALA 13 HA ALA 13 -10.477 1.015 -0.255
95 HB1 ALA 13 HB1 ALA 13 -11.497 0.039 1.760
96 HB2 ALA 13 HB2 ALA 13 -10.165 -1.138 1.845
97 HB3 ALA 13 HB3 ALA 13 -11.287 -1.162 0.464
98 H ASN 14 HN ASN 14 -7.709 0.091 1.713
99 HA ASN 14 HA ASN 14 -8.003 2.162 3.639
100 HB2 ASN 14 HB1 ASN 14 -6.270 -0.056 3.199
101 HB3 ASN 14 HB2 ASN 14 -5.256 1.397 3.380
102 HD21 ASN 14 1HD2 ASN 14 -5.916 -1.016 5.117
103 HD22 ASN 14 2HD2 ASN 14 -6.311 -0.327 6.652
104 H PHE 15 HN PHE 15 -6.284 1.875 0.584
105 HA PHE 15 HA PHE 15 -4.899 4.367 0.853
106 HB2 PHE 15 HB1 PHE 15 -3.778 2.907 -0.552
107 HB3 PHE 15 HB2 PHE 15 -5.279 2.356 -1.335
108 HD1 PHE 15 HD2 PHE 15 -3.057 5.337 -1.021
109 HD2 PHE 15 HD1 PHE 15 -5.895 3.233 -3.395
110 HE1 PHE 15 HE2 PHE 15 -2.662 6.905 -2.875
111 HE2 PHE 15 HE1 PHE 15 -5.504 4.796 -5.255
112 HZ PHE 15 HZ PHE 15 -3.887 6.635 -4.995
113 H LEU 16 HN LEU 16 -8.027 3.404 -0.195
114 HA LEU 16 HA LEU 16 -8.524 5.771 -1.773
115 HB2 LEU 16 HB1 LEU 16 -10.031 3.323 -1.017
116 HB3 LEU 16 HB2 LEU 16 -10.979 4.773 -1.429
117 HG LEU 16 HG LEU 16 -9.663 4.823 -3.607
118 HD11 LEU 16 1HD1 LEU 16 -8.699 2.699 -4.348
119 HD12 LEU 16 2HD1 LEU 16 -8.981 2.011 -2.731
120 HD13 LEU 16 3HD1 LEU 16 -7.834 3.356 -2.938
121 HD21 LEU 16 3HD2 LEU 16 -11.481 2.470 -3.049
122 HD22 LEU 16 1HD2 LEU 16 -11.104 3.139 -4.655
123 HD23 LEU 16 2HD2 LEU 16 -11.999 4.120 -3.470
124 H VAL 17 HN VAL 17 -9.359 4.554 1.435
125 HA VAL 17 HA VAL 17 -10.998 6.827 2.086
126 HB VAL 17 HB VAL 17 -11.507 4.721 3.144
127 HG11 VAL 17 1HG1 VAL 17 -9.971 3.660 4.744
128 HG12 VAL 17 2HG1 VAL 17 -8.733 4.874 4.344
129 HG13 VAL 17 3HG1 VAL 17 -9.283 3.722 3.104
130 HG21 VAL 17 3HG2 VAL 17 -10.366 6.693 5.137
131 HG22 VAL 17 1HG2 VAL 17 -11.539 5.407 5.506
132 HG23 VAL 17 2HG2 VAL 17 -11.995 6.743 4.422
133 H HIS 18 HN HIS 18 -7.658 5.899 2.505
134 HA HIS 18 HA HIS 18 -7.159 8.269 4.159
135 HB2 HIS 18 HB1 HIS 18 -5.423 5.876 3.511
136 HB3 HIS 18 HB2 HIS 18 -4.892 7.269 4.486
137 HD1 HIS 18 HD1 HIS 18 -5.969 7.522 6.857
138 HD2 HIS 18 HD2 HIS 18 -7.051 4.052 4.842
139 HE1 HIS 18 HE1 HIS 18 -7.020 6.035 8.594
140 H SER 19 HN SER 19 -7.707 9.358 1.962
141 HA SER 19 HA SER 19 -6.045 9.342 -0.231
142 HB2 SER 19 HB1 SER 19 -7.659 11.535 1.062
143 HB3 SER 19 HB2 SER 19 -6.677 11.859 -0.388
144 HG SER 19 HG SER 19 -7.845 10.108 -1.399
145 H SER 20 HN SER 20 -5.514 10.790 2.903
146 HA SER 20 HA SER 20 -3.461 12.564 2.352
147 HB2 SER 20 HB1 SER 20 -4.004 10.822 4.765
148 HB3 SER 20 HB2 SER 20 -2.660 11.990 4.720
149 HG SER 20 HG SER 20 -5.447 12.492 4.573
150 H ASN 21 HN ASN 21 -3.308 9.070 2.882
151 HA ASN 21 HA ASN 21 -0.587 8.678 3.012
152 HB2 ASN 21 HB1 ASN 21 -2.845 7.033 1.912
153 HB3 ASN 21 HB2 ASN 21 -1.168 6.471 1.708
154 HD21 ASN 21 1HD2 ASN 21 0.113 6.813 3.888
155 HD22 ASN 21 2HD2 ASN 21 -0.661 6.135 5.275
156 H ASN 22 HN ASN 22 -2.555 9.450 0.231
157 HA ASN 22 HA ASN 22 -0.894 8.731 -1.858
158 HB2 ASN 22 HB1 ASN 22 -3.160 9.591 -2.194
159 HB3 ASN 22 HB2 ASN 22 -2.642 11.198 -1.627
160 HD21 ASN 22 1HD2 ASN 22 -1.012 8.913 -3.789
161 HD22 ASN 22 2HD2 ASN 22 -0.954 9.970 -5.154
162 H PHE 23 HN PHE 23 -0.825 11.671 0.115
163 HA PHE 23 HA PHE 23 1.500 12.674 -1.304
164 HB2 PHE 23 HB1 PHE 23 -0.321 14.186 -0.518
165 HB3 PHE 23 HB2 PHE 23 0.136 13.790 1.156
166 HD1 PHE 23 HD2 PHE 23 2.223 14.547 -1.848
167 HD2 PHE 23 HD1 PHE 23 1.052 15.700 2.079
168 HE1 PHE 23 HE2 PHE 23 3.899 16.346 -1.881
169 HE2 PHE 23 HE1 PHE 23 2.727 17.502 2.052
170 HZ PHE 23 HZ PHE 23 4.154 17.827 0.072
171 H GLY 24 HN GLY 24 0.696 11.534 1.964
172 HA2 GLY 24 HA1 GLY 24 3.192 11.875 3.150
173 HA3 GLY 24 HA2 GLY 24 2.017 10.659 3.624
174 H ALA 25 HN ALA 25 2.153 9.503 0.845
175 HA ALA 25 HA ALA 25 3.922 7.423 1.333
176 HB1 ALA 25 HB1 ALA 25 3.669 6.847 -1.047
177 HB2 ALA 25 HB2 ALA 25 2.917 8.434 -1.335
178 HB3 ALA 25 HB3 ALA 25 2.113 7.246 -0.282
179 H ILE 26 HN ILE 26 4.495 10.557 -0.070
180 HA ILE 26 HA ILE 26 7.083 9.869 -1.141
181 HB ILE 26 HB ILE 26 5.813 12.579 -0.734
182 HG12 ILE 26 1HG1 ILE 26 5.902 12.150 -3.425
183 HG13 ILE 26 2HG1 ILE 26 5.602 10.502 -2.821
184 HG21 ILE 26 1HG2 ILE 26 7.510 13.388 -2.321
185 HG22 ILE 26 2HG2 ILE 26 8.249 11.769 -2.335
186 HG23 ILE 26 3HG2 ILE 26 8.243 12.732 -0.838
187 HD11 ILE 26 3HD1 ILE 26 3.626 11.305 -1.611
188 HD12 ILE 26 1HD1 ILE 26 3.510 11.649 -3.353
189 HD13 ILE 26 2HD1 ILE 26 3.925 12.952 -2.215
190 H LEU 27 HN LEU 27 5.807 11.041 1.851
191 HA LEU 27 HA LEU 27 8.320 12.081 2.812
192 HB2 LEU 27 HB1 LEU 27 5.551 11.810 3.860
193 HB3 LEU 27 HB2 LEU 27 6.871 11.898 5.052
194 HG LEU 27 HG LEU 27 7.544 14.032 3.664
195 HD11 LEU 27 1HD1 LEU 27 5.592 15.234 2.802
196 HD12 LEU 27 2HD1 LEU 27 4.581 13.802 3.107
197 HD13 LEU 27 3HD1 LEU 27 5.885 13.730 1.898
198 HD21 LEU 27 3HD2 LEU 27 5.207 13.966 5.584
199 HD22 LEU 27 1HD2 LEU 27 6.193 15.394 5.191
200 HD23 LEU 27 2HD2 LEU 27 6.929 14.007 6.028
201 H SER 28 HN SER 28 6.362 9.180 3.291
202 HA SER 28 HA SER 28 8.295 8.058 5.142
203 HB2 SER 28 HB1 SER 28 6.178 7.411 5.805
204 HB3 SER 28 HB2 SER 28 5.590 7.263 4.131
205 HG SER 28 HG SER 28 7.354 5.489 5.494
206 H SER 29 HN SER 29 7.213 7.582 1.823
207 HA SER 29 HA SER 29 8.111 6.454 0.063
208 HB2 SER 29 HB1 SER 29 10.267 7.587 1.436
209 HB3 SER 29 HB2 SER 29 10.748 5.895 1.164
210 HG SER 29 HG SER 29 11.335 7.166 -0.616
211 H THR 30 HN THR 30 6.859 5.008 2.277
212 HA THR 30 HA THR 30 8.304 2.562 2.661
213 HB THR 30 HB THR 30 6.704 3.350 4.347
214 HG1 THR 30 HG1 THR 30 6.662 1.268 4.720
215 HG21 THR 30 3HG2 THR 30 5.050 4.372 2.857
216 HG22 THR 30 1HG2 THR 30 4.283 3.187 3.940
217 HG23 THR 30 2HG2 THR 30 4.605 2.762 2.242
218 H ASN 31 HN ASN 31 5.899 3.734 0.417
219 HA ASN 31 HA ASN 31 5.726 1.064 -0.805
220 HB2 ASN 31 HB1 ASN 31 3.541 1.801 -0.341
221 HB3 ASN 31 HB2 ASN 31 3.904 3.464 -0.863
222 HD21 ASN 31 1HD2 ASN 31 2.803 3.918 -2.620
223 HD22 ASN 31 2HD2 ASN 31 2.564 2.880 -3.981
224 H VAL 32 HN VAL 32 6.658 4.377 -1.353
225 HA VAL 32 HA VAL 32 7.155 3.918 -4.184
226 HB VAL 32 HB VAL 32 7.663 6.384 -2.515
227 HG11 VAL 32 1HG1 VAL 32 7.852 7.545 -4.674
228 HG12 VAL 32 2HG1 VAL 32 7.681 5.985 -5.514
229 HG13 VAL 32 3HG1 VAL 32 9.100 6.290 -4.484
230 HG21 VAL 32 3HG2 VAL 32 5.384 5.713 -4.390
231 HG22 VAL 32 1HG2 VAL 32 5.644 7.283 -3.594
232 HG23 VAL 32 2HG2 VAL 32 5.286 5.839 -2.617
233 H GLY 33 HN GLY 33 9.078 5.104 -1.414
234 HA2 GLY 33 HA1 GLY 33 11.573 4.852 -2.688
235 HA3 GLY 33 HA2 GLY 33 11.319 4.936 -0.951
236 H SER 34 HN SER 34 9.980 2.675 -0.362
237 HA SER 34 HA SER 34 11.941 0.738 -0.194
238 HB2 SER 34 HB1 SER 34 10.404 -0.501 0.944
239 HB3 SER 34 HB2 SER 34 9.483 1.021 0.891
240 HG SER 34 HG SER 34 8.215 0.215 -0.676
241 H ASN 35 HN ASN 35 9.663 1.357 -2.756
242 HA ASN 35 HA ASN 35 9.641 -1.045 -4.117
243 HB2 ASN 35 HB1 ASN 35 8.551 1.352 -4.594
244 HB3 ASN 35 HB2 ASN 35 9.908 1.440 -5.744
245 HD21 ASN 35 1HD2 ASN 35 8.503 1.402 -7.503
246 HD22 ASN 35 2HD2 ASN 35 7.687 -0.037 -8.002
247 H THR 36 HN THR 36 12.278 1.023 -3.544
248 HA THR 36 HA THR 36 13.933 -0.571 -5.373
249 HB THR 36 HB THR 36 15.247 1.827 -5.398
250 HG1 THR 36 HG1 THR 36 13.859 3.372 -5.045
251 HG21 THR 36 3HG2 THR 36 14.870 0.361 -7.326
252 HG22 THR 36 1HG2 THR 36 14.448 2.046 -7.715
253 HG23 THR 36 2HG2 THR 36 13.163 0.862 -7.376
254 H TYR 37 HN TYR 37 14.056 1.852 -2.761
255 HA TYR 37 HA TYR 37 16.478 0.559 -1.736
256 HB2 TYR 37 HB1 TYR 37 15.251 3.275 -1.407
257 HB3 TYR 37 HB2 TYR 37 16.362 2.655 -0.161
258 HD1 TYR 37 HD2 TYR 37 16.179 3.041 -3.887
259 HD2 TYR 37 HD1 TYR 37 18.618 3.125 -0.401
260 HE1 TYR 37 HE2 TYR 37 18.097 3.752 -5.253
261 HE2 TYR 37 HE1 TYR 37 20.543 3.838 -1.757
262 HH TYR 37 HH TYR 37 20.772 3.520 -4.933
263 HN1 NH2 38 HN1 NH2 37 12.848 1.255 -0.893
264 HN2 NH2 38 HN2 NH2 37 12.908 0.337 0.715
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 4.867 -8.842 5.135
2 H2 LYS 1 HT2 LYS 1 3.900 -8.023 3.932
3 H3 LYS 1 HT3 LYS 1 4.448 -9.658 3.648
4 HA LYS 1 HA LYS 1 3.130 -10.440 5.454
5 HB2 LYS 1 HB1 LYS 1 3.237 -7.855 6.364
6 HB3 LYS 1 HB2 LYS 1 1.576 -7.956 5.733
7 HG2 LYS 1 HG1 LYS 1 0.892 -9.216 7.447
8 HG3 LYS 1 HG2 LYS 1 2.317 -10.279 7.343
9 HD2 LYS 1 HD1 LYS 1 2.657 -7.512 8.443
10 HD3 LYS 1 HD2 LYS 1 1.889 -8.752 9.464
11 HE2 LYS 1 HE1 LYS 1 4.150 -9.974 8.285
12 HE3 LYS 1 HE2 LYS 1 4.678 -8.367 8.838
13 HZ1 LYS 1 HZ1 LYS 1 4.611 -10.483 10.421
14 HZ2 LYS 1 HZ2 LYS 1 3.040 -9.920 10.690
15 HZ3 LYS 1 HZ3 LYS 1 4.363 -8.911 10.995
16 H CYS 2 HN CYS 2 0.633 -10.576 5.338
17 HA CYS 2 HA CYS 2 -1.171 -11.108 4.057
18 HB2 CYS 2 HB1 CYS 2 -0.352 -8.403 3.249
19 HB3 CYS 2 HB2 CYS 2 -1.333 -9.260 2.036
20 H ASN 3 HN ASN 3 -0.322 -13.037 3.227
21 HA ASN 3 HA ASN 3 1.194 -13.023 0.771
22 HB2 ASN 3 HB1 ASN 3 1.190 -15.445 0.962
23 HB3 ASN 3 HB2 ASN 3 1.593 -14.716 2.535
24 HD21 ASN 3 1HD2 ASN 3 -0.568 -16.717 0.798
25 HD22 ASN 3 2HD2 ASN 3 -1.645 -17.080 2.099
26 H THR 4 HN THR 4 -2.110 -13.706 1.779
27 HA THR 4 HA THR 4 -3.031 -14.778 -0.660
28 HB THR 4 HB THR 4 -4.304 -15.039 1.410
29 HG1 THR 4 HG1 THR 4 -6.064 -15.119 0.235
30 HG21 THR 4 3HG2 THR 4 -3.845 -12.856 2.421
31 HG22 THR 4 1HG2 THR 4 -5.595 -13.166 2.342
32 HG23 THR 4 2HG2 THR 4 -4.833 -12.065 1.169
33 H ALA 5 HN ALA 5 -4.406 -13.796 -2.249
34 HA ALA 5 HA ALA 5 -3.488 -11.174 -3.018
35 HB1 ALA 5 HB1 ALA 5 -4.819 -11.542 -5.056
36 HB2 ALA 5 HB2 ALA 5 -5.467 -13.039 -4.345
37 HB3 ALA 5 HB3 ALA 5 -3.730 -12.906 -4.709
38 H THR 6 HN THR 6 -6.337 -12.567 -1.583
39 HA THR 6 HA THR 6 -8.257 -10.650 -2.128
40 HB THR 6 HB THR 6 -8.032 -11.900 0.599
41 HG1 THR 6 HG1 THR 6 -8.476 -13.828 -0.219
42 HG21 THR 6 3HG2 THR 6 -9.883 -10.341 0.215
43 HG22 THR 6 1HG2 THR 6 -10.481 -12.005 0.410
44 HG23 THR 6 2HG2 THR 6 -10.381 -11.281 -1.212
45 H CYS 7 HN CYS 7 -5.568 -10.533 0.099
46 HA CYS 7 HA CYS 7 -6.292 -8.488 1.796
47 HB2 CYS 7 HB1 CYS 7 -3.709 -9.470 0.690
48 HB3 CYS 7 HB2 CYS 7 -3.704 -7.885 1.501
49 H ALA 8 HN ALA 8 -5.352 -8.319 -1.562
50 HA ALA 8 HA ALA 8 -4.621 -5.719 -1.929
51 HB1 ALA 8 HB1 ALA 8 -5.605 -5.858 -4.180
52 HB2 ALA 8 HB2 ALA 8 -6.480 -7.328 -3.690
53 HB3 ALA 8 HB3 ALA 8 -4.702 -7.330 -3.749
54 H THR 9 HN THR 9 -7.900 -6.957 -1.477
55 HA THR 9 HA THR 9 -9.314 -4.606 -2.014
56 HB THR 9 HB THR 9 -10.364 -6.301 0.174
57 HG1 THR 9 HG1 THR 9 -9.683 -8.045 -0.863
58 HG21 THR 9 3HG2 THR 9 -11.745 -4.605 -0.930
59 HG22 THR 9 1HG2 THR 9 -12.387 -6.239 -1.224
60 HG23 THR 9 2HG2 THR 9 -11.472 -5.400 -2.499
61 H GLN 10 HN GLN 10 -7.956 -5.819 1.033
62 HA GLN 10 HA GLN 10 -8.919 -3.728 2.661
63 HB2 GLN 10 HB1 GLN 10 -7.315 -6.061 2.970
64 HB3 GLN 10 HB2 GLN 10 -6.430 -4.690 3.682
65 HG2 GLN 10 HG1 GLN 10 -7.643 -5.031 5.515
66 HG3 GLN 10 HG2 GLN 10 -9.014 -4.343 4.610
67 HE21 GLN 10 1HE2 GLN 10 -9.190 -6.239 6.713
68 HE22 GLN 10 2HE2 GLN 10 -9.875 -7.686 6.062
69 H ARG 11 HN ARG 11 -5.713 -4.238 1.190
70 HA ARG 11 HA ARG 11 -4.500 -1.901 2.067
71 HB2 ARG 11 HB1 ARG 11 -3.984 -3.946 0.087
72 HB3 ARG 11 HB2 ARG 11 -3.517 -2.342 -0.529
73 HG2 ARG 11 HG1 ARG 11 -1.849 -2.079 1.017
74 HG3 ARG 11 HG2 ARG 11 -2.658 -3.100 2.230
75 HD2 ARG 11 HD1 ARG 11 -1.392 -4.827 1.613
76 HD3 ARG 11 HD2 ARG 11 -2.080 -4.738 -0.027
77 HE ARG 11 HE ARG 11 -0.005 -2.819 0.349
78 HH11 ARG 11 1HH1 ARG 11 -0.602 -6.197 -0.236
79 HH12 ARG 11 2HH1 ARG 11 0.909 -6.460 -1.040
80 HH21 ARG 11 1HH2 ARG 11 1.989 -3.151 -0.709
81 HH22 ARG 11 2HH2 ARG 11 2.383 -4.725 -1.309
82 H LEU 12 HN LEU 12 -5.883 -2.415 -1.183
83 HA LEU 12 HA LEU 12 -5.744 0.150 -2.130
84 HB2 LEU 12 HB1 LEU 12 -6.890 -2.212 -2.971
85 HB3 LEU 12 HB2 LEU 12 -8.290 -1.127 -2.797
86 HG LEU 12 HG LEU 12 -7.273 0.451 -4.354
87 HD11 LEU 12 1HD1 LEU 12 -5.233 -0.123 -5.580
88 HD12 LEU 12 2HD1 LEU 12 -5.036 -1.571 -4.566
89 HD13 LEU 12 3HD1 LEU 12 -4.925 0.048 -3.836
90 HD21 LEU 12 3HD2 LEU 12 -7.318 -2.386 -5.407
91 HD22 LEU 12 1HD2 LEU 12 -7.427 -0.906 -6.390
92 HD23 LEU 12 2HD2 LEU 12 -8.722 -1.306 -5.236
93 H ALA 13 HN ALA 13 -8.578 -1.263 -0.485
94 HA ALA 13 HA ALA 13 -10.185 0.962 -0.362
95 HB1 ALA 13 HB1 ALA 13 -11.228 -0.046 1.627
96 HB2 ALA 13 HB2 ALA 13 -9.858 -1.175 1.756
97 HB3 ALA 13 HB3 ALA 13 -10.938 -1.243 0.343
98 H ASN 14 HN ASN 14 -7.445 0.137 1.688
99 HA ASN 14 HA ASN 14 -7.865 2.199 3.600
100 HB2 ASN 14 HB1 ASN 14 -6.173 0.006 3.365
101 HB3 ASN 14 HB2 ASN 14 -5.076 1.404 3.262
102 HD21 ASN 14 1HD2 ASN 14 -4.275 1.960 5.145
103 HD22 ASN 14 2HD2 ASN 14 -5.064 1.846 6.676
104 H PHE 15 HN PHE 15 -6.050 1.969 0.594
105 HA PHE 15 HA PHE 15 -4.763 4.511 0.897
106 HB2 PHE 15 HB1 PHE 15 -3.551 3.090 -0.475
107 HB3 PHE 15 HB2 PHE 15 -5.009 2.484 -1.298
108 HD1 PHE 15 HD2 PHE 15 -2.911 5.548 -0.927
109 HD2 PHE 15 HD1 PHE 15 -5.596 3.330 -3.376
110 HE1 PHE 15 HE2 PHE 15 -2.524 7.124 -2.775
111 HE2 PHE 15 HE1 PHE 15 -5.210 4.903 -5.229
112 HZ PHE 15 HZ PHE 15 -3.672 6.804 -4.928
113 H LEU 16 HN LEU 16 -7.825 3.434 -0.237
114 HA LEU 16 HA LEU 16 -8.361 5.780 -1.835
115 HB2 LEU 16 HB1 LEU 16 -9.806 3.284 -1.109
116 HB3 LEU 16 HB2 LEU 16 -10.788 4.699 -1.558
117 HG LEU 16 HG LEU 16 -9.426 4.784 -3.699
118 HD11 LEU 16 1HD1 LEU 16 -8.342 2.702 -4.398
119 HD12 LEU 16 2HD1 LEU 16 -8.634 2.012 -2.783
120 HD13 LEU 16 3HD1 LEU 16 -7.546 3.408 -2.972
121 HD21 LEU 16 3HD2 LEU 16 -11.146 2.351 -3.169
122 HD22 LEU 16 1HD2 LEU 16 -10.757 3.026 -4.769
123 HD23 LEU 16 2HD2 LEU 16 -11.728 3.972 -3.616
124 H VAL 17 HN VAL 17 -9.244 4.542 1.353
125 HA VAL 17 HA VAL 17 -10.976 6.759 1.949
126 HB VAL 17 HB VAL 17 -11.442 4.640 3.002
127 HG11 VAL 17 1HG1 VAL 17 -9.916 3.634 4.645
128 HG12 VAL 17 2HG1 VAL 17 -8.709 4.888 4.275
129 HG13 VAL 17 3HG1 VAL 17 -9.186 3.716 3.024
130 HG21 VAL 17 3HG2 VAL 17 -10.424 6.656 5.019
131 HG22 VAL 17 1HG2 VAL 17 -11.562 5.332 5.361
132 HG23 VAL 17 2HG2 VAL 17 -12.033 6.648 4.259
133 H HIS 18 HN HIS 18 -7.619 5.948 2.464
134 HA HIS 18 HA HIS 18 -7.248 8.338 4.123
135 HB2 HIS 18 HB1 HIS 18 -5.411 6.004 3.537
136 HB3 HIS 18 HB2 HIS 18 -4.961 7.417 4.523
137 HD1 HIS 18 HD1 HIS 18 -6.116 7.637 6.858
138 HD2 HIS 18 HD2 HIS 18 -7.014 4.126 4.826
139 HE1 HIS 18 HE1 HIS 18 -7.166 6.121 8.567
140 H SER 19 HN SER 19 -7.736 9.480 1.982
141 HA SER 19 HA SER 19 -6.076 9.499 -0.211
142 HB2 SER 19 HB1 SER 19 -7.071 11.497 -0.816
143 HB3 SER 19 HB2 SER 19 -8.244 10.888 0.377
144 HG SER 19 HG SER 19 -7.439 12.290 1.878
145 H SER 20 HN SER 20 -5.528 10.866 2.956
146 HA SER 20 HA SER 20 -3.463 12.637 2.448
147 HB2 SER 20 HB1 SER 20 -4.700 11.830 4.692
148 HB3 SER 20 HB2 SER 20 -3.190 10.900 4.856
149 HG SER 20 HG SER 20 -3.071 13.007 5.808
150 H ASN 21 HN ASN 21 -3.331 9.129 2.889
151 HA ASN 21 HA ASN 21 -0.615 8.715 2.997
152 HB2 ASN 21 HB1 ASN 21 -2.892 7.116 1.880
153 HB3 ASN 21 HB2 ASN 21 -1.223 6.550 1.628
154 HD21 ASN 21 1HD2 ASN 21 -0.233 5.499 3.230
155 HD22 ASN 21 2HD2 ASN 21 -0.859 5.294 4.827
156 H ASN 22 HN ASN 22 -2.587 9.565 0.243
157 HA ASN 22 HA ASN 22 -0.943 8.890 -1.870
158 HB2 ASN 22 HB1 ASN 22 -3.201 9.782 -2.171
159 HB3 ASN 22 HB2 ASN 22 -2.663 11.368 -1.568
160 HD21 ASN 22 1HD2 ASN 22 -1.071 9.117 -3.795
161 HD22 ASN 22 2HD2 ASN 22 -1.007 10.209 -5.133
162 H PHE 23 HN PHE 23 -0.836 11.779 0.174
163 HA PHE 23 HA PHE 23 1.496 12.791 -1.226
164 HB2 PHE 23 HB1 PHE 23 -0.571 13.996 0.146
165 HB3 PHE 23 HB2 PHE 23 0.783 14.101 1.297
166 HD1 PHE 23 HD2 PHE 23 3.083 14.491 -0.435
167 HD2 PHE 23 HD1 PHE 23 -0.838 16.118 -0.744
168 HE1 PHE 23 HE2 PHE 23 3.984 16.422 -1.665
169 HE2 PHE 23 HE1 PHE 23 0.057 18.050 -1.976
170 HZ PHE 23 HZ PHE 23 2.471 18.206 -2.437
171 H GLY 24 HN GLY 24 0.688 11.578 2.014
172 HA2 GLY 24 HA1 GLY 24 3.188 11.869 3.205
173 HA3 GLY 24 HA2 GLY 24 2.004 10.649 3.649
174 H ALA 25 HN ALA 25 2.134 9.577 0.831
175 HA ALA 25 HA ALA 25 3.876 7.462 1.261
176 HB1 ALA 25 HB1 ALA 25 3.627 6.963 -1.138
177 HB2 ALA 25 HB2 ALA 25 2.896 8.568 -1.380
178 HB3 ALA 25 HB3 ALA 25 2.071 7.358 -0.368
179 H ILE 26 HN ILE 26 4.491 10.629 -0.048
180 HA ILE 26 HA ILE 26 7.078 9.943 -1.121
181 HB ILE 26 HB ILE 26 5.838 12.656 -0.639
182 HG12 ILE 26 1HG1 ILE 26 5.938 12.307 -3.341
183 HG13 ILE 26 2HG1 ILE 26 5.617 10.645 -2.790
184 HG21 ILE 26 1HG2 ILE 26 7.552 13.491 -2.190
185 HG22 ILE 26 2HG2 ILE 26 8.272 11.864 -2.251
186 HG23 ILE 26 3HG2 ILE 26 8.269 12.780 -0.725
187 HD11 ILE 26 3HD1 ILE 26 3.642 11.431 -1.568
188 HD12 ILE 26 1HD1 ILE 26 3.541 11.830 -3.299
189 HD13 ILE 26 2HD1 ILE 26 3.963 13.093 -2.119
190 H LEU 27 HN LEU 27 5.797 11.042 1.896
191 HA LEU 27 HA LEU 27 8.346 11.979 2.897
192 HB2 LEU 27 HB1 LEU 27 5.587 12.203 3.649
193 HB3 LEU 27 HB2 LEU 27 6.531 11.592 5.029
194 HG LEU 27 HG LEU 27 7.710 13.919 3.667
195 HD11 LEU 27 1HD1 LEU 27 6.154 15.527 4.665
196 HD12 LEU 27 2HD1 LEU 27 5.102 14.185 5.175
197 HD13 LEU 27 3HD1 LEU 27 5.354 14.510 3.443
198 HD21 LEU 27 3HD2 LEU 27 7.061 13.265 6.549
199 HD22 LEU 27 1HD2 LEU 27 8.039 14.641 5.987
200 HD23 LEU 27 2HD2 LEU 27 8.615 12.977 5.731
201 H SER 28 HN SER 28 6.226 9.185 3.324
202 HA SER 28 HA SER 28 8.064 7.951 5.201
203 HB2 SER 28 HB1 SER 28 6.427 6.161 5.361
204 HB3 SER 28 HB2 SER 28 5.599 7.733 5.481
205 HG SER 28 HG SER 28 4.478 6.407 4.044
206 H SER 29 HN SER 29 7.063 7.607 1.848
207 HA SER 29 HA SER 29 7.914 6.424 0.101
208 HB2 SER 29 HB1 SER 29 10.205 6.432 -0.136
209 HB3 SER 29 HB2 SER 29 10.027 7.609 1.188
210 HG SER 29 HG SER 29 10.785 4.877 1.341
211 H THR 30 HN THR 30 6.616 5.038 2.381
212 HA THR 30 HA THR 30 7.914 2.520 2.738
213 HB THR 30 HB THR 30 6.327 3.382 4.402
214 HG1 THR 30 HG1 THR 30 6.639 1.088 4.165
215 HG21 THR 30 3HG2 THR 30 4.742 4.475 2.888
216 HG22 THR 30 1HG2 THR 30 3.909 3.325 3.961
217 HG23 THR 30 2HG2 THR 30 4.235 2.885 2.267
218 H ASN 31 HN ASN 31 5.680 3.828 0.415
219 HA ASN 31 HA ASN 31 5.415 1.168 -0.821
220 HB2 ASN 31 HB1 ASN 31 3.632 3.609 -0.976
221 HB3 ASN 31 HB2 ASN 31 3.442 2.185 -2.028
222 HD21 ASN 31 1HD2 ASN 31 1.937 3.525 0.342
223 HD22 ASN 31 2HD2 ASN 31 1.488 2.173 1.319
224 H VAL 32 HN VAL 32 6.381 4.482 -1.299
225 HA VAL 32 HA VAL 32 6.812 4.136 -4.146
226 HB VAL 32 HB VAL 32 7.518 6.453 -2.337
227 HG11 VAL 32 1HG1 VAL 32 7.790 7.733 -4.420
228 HG12 VAL 32 2HG1 VAL 32 7.514 6.245 -5.357
229 HG13 VAL 32 3HG1 VAL 32 8.948 6.386 -4.311
230 HG21 VAL 32 3HG2 VAL 32 5.201 6.061 -4.246
231 HG22 VAL 32 1HG2 VAL 32 5.568 7.556 -3.353
232 HG23 VAL 32 2HG2 VAL 32 5.110 6.081 -2.469
233 H GLY 33 HN GLY 33 8.962 5.252 -1.521
234 HA2 GLY 33 HA1 GLY 33 11.350 4.743 -2.895
235 HA3 GLY 33 HA2 GLY 33 11.200 4.902 -1.151
236 H SER 34 HN SER 34 9.558 2.713 -0.608
237 HA SER 34 HA SER 34 11.382 0.662 -0.286
238 HB2 SER 34 HB1 SER 34 9.223 0.895 0.949
239 HB3 SER 34 HB2 SER 34 8.375 0.331 -0.512
240 HG SER 34 HG SER 34 9.391 -1.156 1.386
241 H ASN 35 HN ASN 35 9.314 1.383 -3.000
242 HA ASN 35 HA ASN 35 9.259 -1.026 -4.347
243 HB2 ASN 35 HB1 ASN 35 8.242 1.326 -4.925
244 HB3 ASN 35 HB2 ASN 35 9.736 1.513 -5.876
245 HD21 ASN 35 1HD2 ASN 35 8.720 1.493 -7.847
246 HD22 ASN 35 2HD2 ASN 35 7.969 0.086 -8.514
247 H THR 36 HN THR 36 11.953 0.913 -3.615
248 HA THR 36 HA THR 36 13.624 -0.704 -5.426
249 HB THR 36 HB THR 36 14.907 1.797 -4.821
250 HG1 THR 36 HG1 THR 36 12.231 1.906 -5.645
251 HG21 THR 36 3HG2 THR 36 15.504 0.315 -6.677
252 HG22 THR 36 1HG2 THR 36 15.073 1.936 -7.272
253 HG23 THR 36 2HG2 THR 36 13.911 0.596 -7.419
254 H TYR 37 HN TYR 37 13.403 1.095 -2.399
255 HA TYR 37 HA TYR 37 15.815 -0.277 -1.430
256 HB2 TYR 37 HB1 TYR 37 14.376 2.007 -0.077
257 HB3 TYR 37 HB2 TYR 37 16.027 1.415 0.227
258 HD1 TYR 37 HD2 TYR 37 17.061 1.195 -2.540
259 HD2 TYR 37 HD1 TYR 37 14.691 4.234 -0.736
260 HE1 TYR 37 HE2 TYR 37 17.948 2.833 -4.147
261 HE2 TYR 37 HE1 TYR 37 15.571 5.880 -2.340
262 HH TYR 37 HH TYR 37 17.388 4.962 -5.102
263 HN1 NH2 38 HN1 NH2 37 12.327 0.772 -0.119
264 HN2 NH2 38 HN2 NH2 37 12.175 -0.726 0.961
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 5.052 -7.065 4.458
2 H2 LYS 1 HT2 LYS 1 4.982 -8.274 3.199
3 H3 LYS 1 HT3 LYS 1 4.518 -8.686 4.832
4 HA LYS 1 HA LYS 1 2.687 -7.187 4.716
5 HB2 LYS 1 HB1 LYS 1 3.381 -6.798 1.799
6 HB3 LYS 1 HB2 LYS 1 2.100 -5.988 2.733
7 HG2 LYS 1 HG1 LYS 1 3.509 -4.322 3.138
8 HG3 LYS 1 HG2 LYS 1 4.524 -5.447 4.073
9 HD2 LYS 1 HD1 LYS 1 5.254 -6.082 1.525
10 HD3 LYS 1 HD2 LYS 1 4.898 -4.346 1.353
11 HE2 LYS 1 HE1 LYS 1 6.595 -5.338 3.635
12 HE3 LYS 1 HE2 LYS 1 7.303 -5.106 2.018
13 HZ1 LYS 1 HZ1 LYS 1 5.744 -2.852 2.753
14 HZ2 LYS 1 HZ2 LYS 1 7.387 -2.932 2.365
15 HZ3 LYS 1 HZ3 LYS 1 6.883 -3.180 3.961
16 H CYS 2 HN CYS 2 0.820 -7.518 2.776
17 HA CYS 2 HA CYS 2 0.331 -10.342 2.909
18 HB2 CYS 2 HB1 CYS 2 -1.180 -7.931 2.355
19 HB3 CYS 2 HB2 CYS 2 -1.556 -9.211 1.177
20 H ASN 3 HN ASN 3 0.032 -8.238 0.057
21 HA ASN 3 HA ASN 3 0.446 -8.627 -2.150
22 HB2 ASN 3 HB1 ASN 3 2.776 -8.440 -1.110
23 HB3 ASN 3 HB2 ASN 3 2.839 -10.216 -1.212
24 HD21 ASN 3 1HD2 ASN 3 4.041 -10.796 -2.865
25 HD22 ASN 3 2HD2 ASN 3 4.038 -10.081 -4.439
26 H THR 4 HN THR 4 -1.299 -10.490 -0.888
27 HA THR 4 HA THR 4 -0.620 -13.045 -2.158
28 HB THR 4 HB THR 4 -2.725 -13.829 -0.906
29 HG1 THR 4 HG1 THR 4 -3.031 -12.428 1.027
30 HG21 THR 4 3HG2 THR 4 -0.452 -14.431 -0.221
31 HG22 THR 4 1HG2 THR 4 -1.483 -14.123 1.197
32 HG23 THR 4 2HG2 THR 4 -0.310 -12.895 0.667
33 H ALA 5 HN ALA 5 -3.726 -11.395 -1.612
34 HA ALA 5 HA ALA 5 -4.315 -10.866 -4.299
35 HB1 ALA 5 HB1 ALA 5 -5.940 -12.647 -4.791
36 HB2 ALA 5 HB2 ALA 5 -5.478 -13.467 -3.281
37 HB3 ALA 5 HB3 ALA 5 -4.289 -13.281 -4.593
38 H THR 6 HN THR 6 -6.379 -12.446 -1.873
39 HA THR 6 HA THR 6 -8.511 -10.691 -2.080
40 HB THR 6 HB THR 6 -9.265 -11.520 0.100
41 HG1 THR 6 HG1 THR 6 -6.641 -12.625 0.235
42 HG21 THR 6 3HG2 THR 6 -9.589 -12.945 -1.866
43 HG22 THR 6 1HG2 THR 6 -9.287 -13.926 -0.413
44 HG23 THR 6 2HG2 THR 6 -7.988 -13.677 -1.603
45 H CYS 7 HN CYS 7 -5.651 -10.506 -0.024
46 HA CYS 7 HA CYS 7 -6.358 -8.491 1.712
47 HB2 CYS 7 HB1 CYS 7 -3.953 -9.750 0.853
48 HB3 CYS 7 HB2 CYS 7 -3.680 -7.990 0.849
49 H ALA 8 HN ALA 8 -5.540 -8.276 -1.677
50 HA ALA 8 HA ALA 8 -4.882 -5.665 -2.063
51 HB1 ALA 8 HB1 ALA 8 -5.971 -5.806 -4.265
52 HB2 ALA 8 HB2 ALA 8 -6.804 -7.289 -3.742
53 HB3 ALA 8 HB3 ALA 8 -5.030 -7.268 -3.888
54 H THR 9 HN THR 9 -8.118 -6.952 -1.465
55 HA THR 9 HA THR 9 -9.597 -4.630 -1.920
56 HB THR 9 HB THR 9 -10.484 -6.344 0.329
57 HG1 THR 9 HG1 THR 9 -10.408 -7.369 -2.326
58 HG21 THR 9 3HG2 THR 9 -11.958 -4.662 -0.667
59 HG22 THR 9 1HG2 THR 9 -12.595 -6.302 -0.931
60 HG23 THR 9 2HG2 THR 9 -11.777 -5.441 -2.257
61 H GLN 10 HN GLN 10 -8.111 -5.823 1.081
62 HA GLN 10 HA GLN 10 -8.995 -3.717 2.727
63 HB2 GLN 10 HB1 GLN 10 -7.406 -6.054 3.001
64 HB3 GLN 10 HB2 GLN 10 -6.453 -4.687 3.627
65 HG2 GLN 10 HG1 GLN 10 -7.885 -4.297 5.361
66 HG3 GLN 10 HG2 GLN 10 -9.302 -4.912 4.476
67 HE21 GLN 10 1HE2 GLN 10 -6.301 -5.925 6.055
68 HE22 GLN 10 2HE2 GLN 10 -6.873 -7.478 6.547
69 H ARG 11 HN ARG 11 -5.866 -4.233 1.107
70 HA ARG 11 HA ARG 11 -4.604 -1.899 1.921
71 HB2 ARG 11 HB1 ARG 11 -3.482 -3.763 0.753
72 HB3 ARG 11 HB2 ARG 11 -4.323 -3.304 -0.748
73 HG2 ARG 11 HG1 ARG 11 -3.052 -0.966 0.170
74 HG3 ARG 11 HG2 ARG 11 -1.868 -2.280 0.374
75 HD2 ARG 11 HD1 ARG 11 -2.792 -2.897 -2.078
76 HD3 ARG 11 HD2 ARG 11 -3.061 -1.137 -2.100
77 HE ARG 11 HE ARG 11 -0.429 -1.933 -1.218
78 HH11 ARG 11 1HH1 ARG 11 -2.439 -1.127 -3.944
79 HH12 ARG 11 2HH1 ARG 11 -1.111 -0.663 -4.955
80 HH21 ARG 11 1HH2 ARG 11 1.330 -1.325 -2.539
81 HH22 ARG 11 2HH2 ARG 11 1.034 -0.778 -4.154
82 H LEU 12 HN LEU 12 -6.157 -2.408 -1.254
83 HA LEU 12 HA LEU 12 -6.061 0.153 -2.210
84 HB2 LEU 12 HB1 LEU 12 -7.255 -2.199 -2.989
85 HB3 LEU 12 HB2 LEU 12 -8.647 -1.122 -2.722
86 HG LEU 12 HG LEU 12 -7.735 0.467 -4.331
87 HD11 LEU 12 1HD1 LEU 12 -5.774 -0.095 -5.689
88 HD12 LEU 12 2HD1 LEU 12 -5.509 -1.548 -4.696
89 HD13 LEU 12 3HD1 LEU 12 -5.356 0.069 -3.967
90 HD21 LEU 12 3HD2 LEU 12 -7.839 -2.364 -5.395
91 HD22 LEU 12 1HD2 LEU 12 -8.016 -0.879 -6.361
92 HD23 LEU 12 2HD2 LEU 12 -9.233 -1.290 -5.129
93 H ALA 13 HN ALA 13 -8.818 -1.235 -0.420
94 HA ALA 13 HA ALA 13 -10.393 1.004 -0.207
95 HB1 ALA 13 HB1 ALA 13 -11.338 0.001 1.833
96 HB2 ALA 13 HB2 ALA 13 -9.975 -1.142 1.886
97 HB3 ALA 13 HB3 ALA 13 -11.129 -1.195 0.532
98 H ASN 14 HN ASN 14 -7.562 0.143 1.702
99 HA ASN 14 HA ASN 14 -7.854 2.189 3.646
100 HB2 ASN 14 HB1 ASN 14 -6.243 -0.004 3.388
101 HB3 ASN 14 HB2 ASN 14 -5.103 1.315 3.027
102 HD21 ASN 14 1HD2 ASN 14 -3.985 1.813 4.760
103 HD22 ASN 14 2HD2 ASN 14 -4.586 1.924 6.377
104 H PHE 15 HN PHE 15 -6.203 1.996 0.540
105 HA PHE 15 HA PHE 15 -4.928 4.547 0.792
106 HB2 PHE 15 HB1 PHE 15 -3.774 3.170 -0.661
107 HB3 PHE 15 HB2 PHE 15 -5.265 2.524 -1.389
108 HD1 PHE 15 HD2 PHE 15 -3.288 5.683 -1.129
109 HD2 PHE 15 HD1 PHE 15 -5.938 3.303 -3.458
110 HE1 PHE 15 HE2 PHE 15 -3.054 7.262 -3.001
111 HE2 PHE 15 HE1 PHE 15 -5.709 4.877 -5.334
112 HZ PHE 15 HZ PHE 15 -4.266 6.861 -5.108
113 H LEU 16 HN LEU 16 -8.031 3.446 -0.206
114 HA LEU 16 HA LEU 16 -8.682 5.776 -1.767
115 HB2 LEU 16 HB1 LEU 16 -10.055 3.289 -0.915
116 HB3 LEU 16 HB2 LEU 16 -11.088 4.698 -1.262
117 HG LEU 16 HG LEU 16 -9.887 4.798 -3.517
118 HD11 LEU 16 1HD1 LEU 16 -8.941 2.686 -4.319
119 HD12 LEU 16 2HD1 LEU 16 -9.122 1.992 -2.691
120 HD13 LEU 16 3HD1 LEU 16 -8.004 3.350 -2.960
121 HD21 LEU 16 3HD2 LEU 16 -11.644 2.424 -2.864
122 HD22 LEU 16 1HD2 LEU 16 -11.367 3.101 -4.486
123 HD23 LEU 16 2HD2 LEU 16 -12.202 4.069 -3.248
124 H VAL 17 HN VAL 17 -9.384 4.586 1.490
125 HA VAL 17 HA VAL 17 -11.026 6.848 2.162
126 HB VAL 17 HB VAL 17 -11.496 4.761 3.261
127 HG11 VAL 17 1HG1 VAL 17 -9.903 3.702 4.806
128 HG12 VAL 17 2HG1 VAL 17 -8.678 4.911 4.353
129 HG13 VAL 17 3HG1 VAL 17 -9.278 3.755 3.140
130 HG21 VAL 17 3HG2 VAL 17 -10.279 6.740 5.200
131 HG22 VAL 17 1HG2 VAL 17 -11.439 5.458 5.619
132 HG23 VAL 17 2HG2 VAL 17 -11.933 6.788 4.546
133 H HIS 18 HN HIS 18 -7.666 5.967 2.473
134 HA HIS 18 HA HIS 18 -7.148 8.376 4.071
135 HB2 HIS 18 HB1 HIS 18 -5.398 5.977 3.485
136 HB3 HIS 18 HB2 HIS 18 -4.897 7.391 4.444
137 HD1 HIS 18 HD1 HIS 18 -6.048 7.683 6.789
138 HD2 HIS 18 HD2 HIS 18 -6.964 4.130 4.839
139 HE1 HIS 18 HE1 HIS 18 -7.082 6.201 8.540
140 H SER 19 HN SER 19 -7.686 9.447 1.896
141 HA SER 19 HA SER 19 -6.072 9.333 -0.338
142 HB2 SER 19 HB1 SER 19 -7.965 11.233 0.810
143 HB3 SER 19 HB2 SER 19 -6.660 12.047 -0.087
144 HG SER 19 HG SER 19 -8.056 9.834 -1.177
145 H SER 20 HN SER 20 -5.429 10.770 2.764
146 HA SER 20 HA SER 20 -3.371 12.528 2.136
147 HB2 SER 20 HB1 SER 20 -4.503 11.428 4.488
148 HB3 SER 20 HB2 SER 20 -2.747 11.155 4.590
149 HG SER 20 HG SER 20 -2.784 13.540 3.817
150 H ASN 21 HN ASN 21 -3.347 9.037 2.455
151 HA ASN 21 HA ASN 21 -0.656 8.499 2.685
152 HB2 ASN 21 HB1 ASN 21 -2.928 7.072 1.343
153 HB3 ASN 21 HB2 ASN 21 -1.271 6.449 1.159
154 HD21 ASN 21 1HD2 ASN 21 -0.153 6.834 3.555
155 HD22 ASN 21 2HD2 ASN 21 -0.990 5.955 4.786
156 H ASN 22 HN ASN 22 -2.434 9.628 -0.097
157 HA ASN 22 HA ASN 22 -0.628 9.011 -2.132
158 HB2 ASN 22 HB1 ASN 22 -2.739 9.783 -2.820
159 HB3 ASN 22 HB2 ASN 22 -2.645 11.221 -1.775
160 HD21 ASN 22 1HD2 ASN 22 -1.328 12.957 -2.415
161 HD22 ASN 22 2HD2 ASN 22 -0.842 13.169 -4.061
162 H PHE 23 HN PHE 23 -0.749 11.778 0.064
163 HA PHE 23 HA PHE 23 1.614 12.958 -1.139
164 HB2 PHE 23 HB1 PHE 23 -0.193 14.425 -0.388
165 HB3 PHE 23 HB2 PHE 23 -0.024 13.793 1.268
166 HD1 PHE 23 HD2 PHE 23 2.559 14.868 -1.208
167 HD2 PHE 23 HD1 PHE 23 0.723 15.553 2.571
168 HE1 PHE 23 HE2 PHE 23 4.229 16.605 -0.717
169 HE2 PHE 23 HE1 PHE 23 2.391 17.294 3.069
170 HZ PHE 23 HZ PHE 23 4.148 17.821 1.424
171 H GLY 24 HN GLY 24 0.682 11.607 2.019
172 HA2 GLY 24 HA1 GLY 24 3.152 11.865 3.292
173 HA3 GLY 24 HA2 GLY 24 1.939 10.655 3.686
174 H ALA 25 HN ALA 25 2.133 9.615 0.862
175 HA ALA 25 HA ALA 25 3.840 7.475 1.312
176 HB1 ALA 25 HB1 ALA 25 3.649 7.007 -1.097
177 HB2 ALA 25 HB2 ALA 25 2.942 8.622 -1.340
178 HB3 ALA 25 HB3 ALA 25 2.079 7.410 -0.364
179 H ILE 26 HN ILE 26 4.530 10.657 0.093
180 HA ILE 26 HA ILE 26 7.130 9.957 -0.943
181 HB ILE 26 HB ILE 26 5.909 12.673 -0.431
182 HG12 ILE 26 1HG1 ILE 26 6.091 12.383 -3.138
183 HG13 ILE 26 2HG1 ILE 26 5.731 10.714 -2.633
184 HG21 ILE 26 1HG2 ILE 26 7.679 13.528 -1.909
185 HG22 ILE 26 2HG2 ILE 26 8.385 11.896 -1.985
186 HG23 ILE 26 3HG2 ILE 26 8.343 12.776 -0.439
187 HD11 ILE 26 3HD1 ILE 26 3.729 11.502 -1.455
188 HD12 ILE 26 1HD1 ILE 26 3.686 11.939 -3.179
189 HD13 ILE 26 2HD1 ILE 26 4.088 13.171 -1.959
190 H LEU 27 HN LEU 27 5.797 11.032 2.065
191 HA LEU 27 HA LEU 27 8.301 11.951 3.152
192 HB2 LEU 27 HB1 LEU 27 5.515 11.989 3.902
193 HB3 LEU 27 HB2 LEU 27 6.518 11.418 5.258
194 HG LEU 27 HG LEU 27 7.567 13.827 3.964
195 HD11 LEU 27 1HD1 LEU 27 5.882 15.343 4.890
196 HD12 LEU 27 2HD1 LEU 27 4.881 13.945 5.347
197 HD13 LEU 27 3HD1 LEU 27 5.196 14.290 3.630
198 HD21 LEU 27 3HD2 LEU 27 6.818 13.125 6.812
199 HD22 LEU 27 1HD2 LEU 27 7.747 14.554 6.299
200 HD23 LEU 27 2HD2 LEU 27 8.423 12.924 6.068
201 H SER 28 HN SER 28 6.285 9.062 3.409
202 HA SER 28 HA SER 28 8.143 7.803 5.247
203 HB2 SER 28 HB1 SER 28 6.535 5.820 4.934
204 HB3 SER 28 HB2 SER 28 5.893 7.277 5.730
205 HG SER 28 HG SER 28 4.466 7.333 4.195
206 H SER 29 HN SER 29 7.126 7.499 1.882
207 HA SER 29 HA SER 29 7.985 6.353 0.112
208 HB2 SER 29 HB1 SER 29 10.271 6.588 -0.245
209 HB3 SER 29 HB2 SER 29 9.957 7.855 0.965
210 HG SER 29 HG SER 29 11.781 6.193 1.256
211 H THR 30 HN THR 30 6.920 4.811 2.321
212 HA THR 30 HA THR 30 8.622 2.467 2.527
213 HB THR 30 HB THR 30 7.277 3.253 4.474
214 HG1 THR 30 HG1 THR 30 6.694 0.646 3.471
215 HG21 THR 30 3HG2 THR 30 5.266 3.967 3.269
216 HG22 THR 30 1HG2 THR 30 4.865 2.766 4.521
217 HG23 THR 30 2HG2 THR 30 4.937 2.279 2.811
218 H ASN 31 HN ASN 31 5.883 3.567 0.704
219 HA ASN 31 HA ASN 31 5.477 0.872 -0.396
220 HB2 ASN 31 HB1 ASN 31 3.345 1.700 -1.259
221 HB3 ASN 31 HB2 ASN 31 3.470 1.982 0.495
222 HD21 ASN 31 1HD2 ASN 31 2.699 3.350 -2.436
223 HD22 ASN 31 2HD2 ASN 31 2.765 5.018 -1.987
224 H VAL 32 HN VAL 32 6.437 4.125 -1.194
225 HA VAL 32 HA VAL 32 6.678 3.408 -4.030
226 HB VAL 32 HB VAL 32 5.500 5.500 -3.589
227 HG11 VAL 32 1HG1 VAL 32 6.667 7.427 -2.609
228 HG12 VAL 32 2HG1 VAL 32 8.076 6.392 -2.277
229 HG13 VAL 32 3HG1 VAL 32 6.528 6.079 -1.456
230 HG21 VAL 32 3HG2 VAL 32 8.239 5.929 -4.803
231 HG22 VAL 32 1HG2 VAL 32 6.825 6.984 -5.035
232 HG23 VAL 32 2HG2 VAL 32 6.798 5.312 -5.646
233 H GLY 33 HN GLY 33 8.532 4.419 -1.223
234 HA2 GLY 33 HA1 GLY 33 11.000 4.674 -2.697
235 HA3 GLY 33 HA2 GLY 33 10.810 4.769 -0.953
236 H SER 34 HN SER 34 9.884 2.442 -0.147
237 HA SER 34 HA SER 34 12.062 0.726 -0.186
238 HB2 SER 34 HB1 SER 34 9.576 0.816 1.098
239 HB3 SER 34 HB2 SER 34 9.578 -0.734 0.221
240 HG SER 34 HG SER 34 11.210 -1.432 1.430
241 H ASN 35 HN ASN 35 9.406 1.000 -2.406
242 HA ASN 35 HA ASN 35 9.377 -1.478 -3.622
243 HB2 ASN 35 HB1 ASN 35 8.111 0.875 -4.076
244 HB3 ASN 35 HB2 ASN 35 9.230 0.844 -5.460
245 HD21 ASN 35 1HD2 ASN 35 6.205 0.367 -4.931
246 HD22 ASN 35 2HD2 ASN 35 5.870 -1.040 -5.876
247 H THR 36 HN THR 36 11.904 0.795 -3.541
248 HA THR 36 HA THR 36 13.444 -0.834 -5.426
249 HB THR 36 HB THR 36 14.423 1.707 -5.910
250 HG1 THR 36 HG1 THR 36 11.573 1.800 -6.006
251 HG21 THR 36 3HG2 THR 36 14.164 -0.088 -7.558
252 HG22 THR 36 1HG2 THR 36 13.443 1.428 -8.148
253 HG23 THR 36 2HG2 THR 36 12.398 0.131 -7.523
254 H TYR 37 HN TYR 37 13.678 1.992 -3.260
255 HA TYR 37 HA TYR 37 16.187 0.851 -2.213
256 HB2 TYR 37 HB1 TYR 37 15.362 3.728 -2.619
257 HB3 TYR 37 HB2 TYR 37 16.732 3.256 -1.584
258 HD1 TYR 37 HD1 TYR 37 15.477 3.368 -5.056
259 HD2 TYR 37 HD2 TYR 37 18.806 2.506 -2.551
260 HE1 TYR 37 HE1 TYR 37 16.941 3.312 -7.031
261 HE2 TYR 37 HE2 TYR 37 20.280 2.449 -4.518
262 HH TYR 37 HH TYR 37 20.437 2.918 -6.715
263 HN1 NH2 38 HN1 NH2 37 14.753 3.907 -0.604
264 HN2 NH2 38 HN2 NH2 37 14.127 3.013 0.894
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 4.130 -6.831 4.754
2 H2 LYS 1 HT2 LYS 1 3.702 -7.914 3.451
3 H3 LYS 1 HT3 LYS 1 3.738 -8.498 5.097
4 HA LYS 1 HA LYS 1 1.944 -7.060 5.673
5 HB2 LYS 1 HB1 LYS 1 2.648 -5.829 3.169
6 HB3 LYS 1 HB2 LYS 1 0.934 -6.308 3.141
7 HG2 LYS 1 HG1 LYS 1 1.181 -5.149 5.620
8 HG3 LYS 1 HG2 LYS 1 2.281 -4.165 4.625
9 HD2 LYS 1 HD1 LYS 1 0.464 -3.817 2.989
10 HD3 LYS 1 HD2 LYS 1 -0.632 -4.764 4.024
11 HE2 LYS 1 HE1 LYS 1 -1.169 -2.829 5.011
12 HE3 LYS 1 HE2 LYS 1 0.447 -2.878 5.757
13 HZ1 LYS 1 HZ1 LYS 1 0.703 -1.851 3.162
14 HZ2 LYS 1 HZ2 LYS 1 0.969 -1.061 4.634
15 HZ3 LYS 1 HZ3 LYS 1 -0.562 -1.020 3.917
16 H CYS 2 HN CYS 2 1.860 -8.375 2.353
17 HA CYS 2 HA CYS 2 0.596 -10.792 3.106
18 HB2 CYS 2 HB1 CYS 2 -1.339 -9.435 3.551
19 HB3 CYS 2 HB2 CYS 2 -1.171 -8.610 1.982
20 H ASN 3 HN ASN 3 0.084 -8.586 0.352
21 HA ASN 3 HA ASN 3 0.391 -8.876 -1.887
22 HB2 ASN 3 HB1 ASN 3 2.779 -8.768 -0.894
23 HB3 ASN 3 HB2 ASN 3 2.824 -10.520 -1.207
24 HD21 ASN 3 1HD2 ASN 3 3.207 -11.222 -3.222
25 HD22 ASN 3 2HD2 ASN 3 3.410 -10.204 -4.603
26 H THR 4 HN THR 4 -1.481 -10.572 -1.081
27 HA THR 4 HA THR 4 -0.782 -13.167 -2.291
28 HB THR 4 HB THR 4 -2.998 -12.536 -0.330
29 HG1 THR 4 HG1 THR 4 -1.716 -13.870 1.054
30 HG21 THR 4 3HG2 THR 4 -3.663 -14.284 -1.912
31 HG22 THR 4 1HG2 THR 4 -3.385 -14.964 -0.291
32 HG23 THR 4 2HG2 THR 4 -2.161 -15.174 -1.566
33 H ALA 5 HN ALA 5 -3.858 -11.471 -1.721
34 HA ALA 5 HA ALA 5 -4.393 -10.836 -4.402
35 HB1 ALA 5 HB1 ALA 5 -6.067 -12.550 -4.964
36 HB2 ALA 5 HB2 ALA 5 -5.648 -13.427 -3.474
37 HB3 ALA 5 HB3 ALA 5 -4.439 -13.241 -4.766
38 H THR 6 HN THR 6 -6.537 -12.420 -2.049
39 HA THR 6 HA THR 6 -8.620 -10.615 -2.225
40 HB THR 6 HB THR 6 -9.296 -11.411 0.057
41 HG1 THR 6 HG1 THR 6 -7.346 -11.816 1.039
42 HG21 THR 6 3HG2 THR 6 -9.973 -12.628 -1.958
43 HG22 THR 6 1HG2 THR 6 -9.654 -13.751 -0.614
44 HG23 THR 6 2HG2 THR 6 -8.453 -13.554 -1.913
45 H CYS 7 HN CYS 7 -5.723 -10.475 -0.238
46 HA CYS 7 HA CYS 7 -6.376 -8.502 1.568
47 HB2 CYS 7 HB1 CYS 7 -3.769 -9.012 0.123
48 HB3 CYS 7 HB2 CYS 7 -3.936 -7.867 1.477
49 H ALA 8 HN ALA 8 -5.682 -8.206 -1.841
50 HA ALA 8 HA ALA 8 -5.049 -5.584 -2.190
51 HB1 ALA 8 HB1 ALA 8 -6.218 -5.677 -4.354
52 HB2 ALA 8 HB2 ALA 8 -7.024 -7.177 -3.836
53 HB3 ALA 8 HB3 ALA 8 -5.257 -7.143 -4.047
54 H THR 9 HN THR 9 -8.257 -6.901 -1.507
55 HA THR 9 HA THR 9 -9.761 -4.575 -1.853
56 HB THR 9 HB THR 9 -10.557 -6.347 0.386
57 HG1 THR 9 HG1 THR 9 -10.581 -7.310 -2.292
58 HG21 THR 9 3HG2 THR 9 -12.074 -4.649 -0.518
59 HG22 THR 9 1HG2 THR 9 -12.713 -6.286 -0.796
60 HG23 THR 9 2HG2 THR 9 -11.948 -5.390 -2.131
61 H GLN 10 HN GLN 10 -8.161 -5.831 1.062
62 HA GLN 10 HA GLN 10 -8.996 -3.766 2.788
63 HB2 GLN 10 HB1 GLN 10 -7.387 -6.099 2.949
64 HB3 GLN 10 HB2 GLN 10 -6.418 -4.743 3.574
65 HG2 GLN 10 HG1 GLN 10 -7.582 -5.769 5.401
66 HG3 GLN 10 HG2 GLN 10 -8.296 -4.167 5.095
67 HE21 GLN 10 1HE2 GLN 10 -9.830 -5.675 6.530
68 HE22 GLN 10 2HE2 GLN 10 -11.124 -6.381 5.630
69 H ARG 11 HN ARG 11 -5.923 -4.229 1.045
70 HA ARG 11 HA ARG 11 -4.644 -1.909 1.866
71 HB2 ARG 11 HB1 ARG 11 -3.557 -3.739 0.614
72 HB3 ARG 11 HB2 ARG 11 -4.452 -3.246 -0.844
73 HG2 ARG 11 HG1 ARG 11 -3.159 -0.927 0.083
74 HG3 ARG 11 HG2 ARG 11 -1.965 -2.240 0.217
75 HD2 ARG 11 HD1 ARG 11 -2.971 -2.807 -2.216
76 HD3 ARG 11 HD2 ARG 11 -3.246 -1.048 -2.190
77 HE ARG 11 HE ARG 11 -0.582 -1.851 -1.417
78 HH11 ARG 11 1HH1 ARG 11 -2.687 -0.994 -4.053
79 HH12 ARG 11 2HH1 ARG 11 -1.396 -0.503 -5.097
80 HH21 ARG 11 1HH2 ARG 11 1.128 -1.208 -2.783
81 HH22 ARG 11 2HH2 ARG 11 0.774 -0.627 -4.373
82 H LEU 12 HN LEU 12 -6.310 -2.353 -1.262
83 HA LEU 12 HA LEU 12 -6.259 0.230 -2.162
84 HB2 LEU 12 HB1 LEU 12 -7.468 -2.110 -2.951
85 HB3 LEU 12 HB2 LEU 12 -8.857 -1.049 -2.608
86 HG LEU 12 HG LEU 12 -8.013 0.586 -4.212
87 HD11 LEU 12 1HD1 LEU 12 -6.101 0.066 -5.653
88 HD12 LEU 12 2HD1 LEU 12 -5.793 -1.409 -4.707
89 HD13 LEU 12 3HD1 LEU 12 -5.620 0.190 -3.945
90 HD21 LEU 12 3HD2 LEU 12 -8.142 -2.221 -5.337
91 HD22 LEU 12 1HD2 LEU 12 -8.362 -0.716 -6.260
92 HD23 LEU 12 2HD2 LEU 12 -9.530 -1.161 -4.994
93 H ALA 13 HN ALA 13 -8.945 -1.213 -0.307
94 HA ALA 13 HA ALA 13 -10.518 1.015 0.016
95 HB1 ALA 13 HB1 ALA 13 -11.387 -0.041 2.063
96 HB2 ALA 13 HB2 ALA 13 -10.018 -1.178 2.040
97 HB3 ALA 13 HB3 ALA 13 -11.219 -1.205 0.727
98 H ASN 14 HN ASN 14 -7.617 0.123 1.799
99 HA ASN 14 HA ASN 14 -7.846 2.119 3.802
100 HB2 ASN 14 HB1 ASN 14 -6.346 -0.040 3.673
101 HB3 ASN 14 HB2 ASN 14 -5.182 1.069 2.907
102 HD21 ASN 14 1HD2 ASN 14 -3.711 1.568 4.365
103 HD22 ASN 14 2HD2 ASN 14 -4.011 2.055 5.997
104 H PHE 15 HN PHE 15 -6.308 2.010 0.634
105 HA PHE 15 HA PHE 15 -5.037 4.560 0.901
106 HB2 PHE 15 HB1 PHE 15 -3.928 3.226 -0.623
107 HB3 PHE 15 HB2 PHE 15 -5.440 2.586 -1.310
108 HD1 PHE 15 HD1 PHE 15 -3.481 5.757 -1.049
109 HD2 PHE 15 HD2 PHE 15 -6.188 3.403 -3.340
110 HE1 PHE 15 HE1 PHE 15 -3.327 7.379 -2.892
111 HE2 PHE 15 HE2 PHE 15 -6.037 5.020 -5.187
112 HZ PHE 15 HZ PHE 15 -4.604 7.011 -4.966
113 H LEU 16 HN LEU 16 -8.168 3.465 -0.013
114 HA LEU 16 HA LEU 16 -8.887 5.828 -1.493
115 HB2 LEU 16 HB1 LEU 16 -10.213 3.310 -0.658
116 HB3 LEU 16 HB2 LEU 16 -11.267 4.719 -0.925
117 HG LEU 16 HG LEU 16 -10.171 4.894 -3.222
118 HD11 LEU 16 1HD1 LEU 16 -9.211 2.828 -4.121
119 HD12 LEU 16 2HD1 LEU 16 -9.308 2.086 -2.507
120 HD13 LEU 16 3HD1 LEU 16 -8.235 3.478 -2.783
121 HD21 LEU 16 3HD2 LEU 16 -11.842 2.461 -2.561
122 HD22 LEU 16 1HD2 LEU 16 -11.651 3.188 -4.174
123 HD23 LEU 16 2HD2 LEU 16 -12.455 4.102 -2.876
124 H VAL 17 HN VAL 17 -9.464 4.559 1.757
125 HA VAL 17 HA VAL 17 -11.093 6.796 2.540
126 HB VAL 17 HB VAL 17 -11.513 4.679 3.607
127 HG11 VAL 17 1HG1 VAL 17 -9.860 3.595 5.067
128 HG12 VAL 17 2HG1 VAL 17 -8.658 4.821 4.600
129 HG13 VAL 17 3HG1 VAL 17 -9.295 3.690 3.382
130 HG21 VAL 17 3HG2 VAL 17 -10.235 6.620 5.546
131 HG22 VAL 17 1HG2 VAL 17 -11.375 5.322 5.975
132 HG23 VAL 17 2HG2 VAL 17 -11.912 6.676 4.952
133 H HIS 18 HN HIS 18 -7.720 5.925 2.714
134 HA HIS 18 HA HIS 18 -7.158 8.300 4.347
135 HB2 HIS 18 HB1 HIS 18 -5.416 5.926 3.641
136 HB3 HIS 18 HB2 HIS 18 -4.888 7.320 4.615
137 HD1 HIS 18 HD1 HIS 18 -5.953 7.548 7.006
138 HD2 HIS 18 HD2 HIS 18 -6.927 4.039 5.006
139 HE1 HIS 18 HE1 HIS 18 -6.916 6.022 8.757
140 H SER 19 HN SER 19 -7.779 9.420 2.221
141 HA SER 19 HA SER 19 -6.246 9.368 -0.073
142 HB2 SER 19 HB1 SER 19 -7.981 11.367 1.261
143 HB3 SER 19 HB2 SER 19 -6.823 12.019 0.076
144 HG SER 19 HG SER 19 -9.061 10.434 -0.311
145 H SER 20 HN SER 20 -5.496 10.735 3.038
146 HA SER 20 HA SER 20 -3.470 12.517 2.378
147 HB2 SER 20 HB1 SER 20 -2.906 12.529 4.626
148 HB3 SER 20 HB2 SER 20 -4.569 11.897 4.687
149 HG SER 20 HG SER 20 -2.865 10.711 5.901
150 H ASN 21 HN ASN 21 -3.419 9.021 2.611
151 HA ASN 21 HA ASN 21 -0.719 8.492 2.731
152 HB2 ASN 21 HB1 ASN 21 -3.032 7.084 1.438
153 HB3 ASN 21 HB2 ASN 21 -1.379 6.475 1.180
154 HD21 ASN 21 1HD2 ASN 21 -0.178 6.808 3.542
155 HD22 ASN 21 2HD2 ASN 21 -0.966 5.896 4.779
156 H ASN 22 HN ASN 22 -2.602 9.677 0.043
157 HA ASN 22 HA ASN 22 -0.870 9.120 -2.071
158 HB2 ASN 22 HB1 ASN 22 -3.005 9.896 -2.664
159 HB3 ASN 22 HB2 ASN 22 -2.882 11.309 -1.588
160 HD21 ASN 22 1HD2 ASN 22 -1.595 13.068 -2.231
161 HD22 ASN 22 2HD2 ASN 22 -1.172 13.323 -3.886
162 H PHE 23 HN PHE 23 -0.922 11.833 0.194
163 HA PHE 23 HA PHE 23 1.390 13.054 -1.064
164 HB2 PHE 23 HB1 PHE 23 -0.380 14.503 -0.221
165 HB3 PHE 23 HB2 PHE 23 -0.178 13.821 1.411
166 HD1 PHE 23 HD1 PHE 23 2.350 14.966 -1.088
167 HD2 PHE 23 HD2 PHE 23 0.604 15.536 2.752
168 HE1 PHE 23 HE1 PHE 23 4.034 16.686 -0.583
169 HE2 PHE 23 HE2 PHE 23 2.285 17.258 3.264
170 HZ PHE 23 HZ PHE 23 4.003 17.835 1.596
171 H GLY 24 HN GLY 24 0.578 11.622 2.093
172 HA2 GLY 24 HA1 GLY 24 3.092 11.862 3.281
173 HA3 GLY 24 HA2 GLY 24 1.900 10.636 3.689
174 H ALA 25 HN ALA 25 1.997 9.666 0.835
175 HA ALA 25 HA ALA 25 3.728 7.525 1.171
176 HB1 ALA 25 HB1 ALA 25 3.450 7.113 -1.239
177 HB2 ALA 25 HB2 ALA 25 2.731 8.731 -1.417
178 HB3 ALA 25 HB3 ALA 25 1.906 7.493 -0.440
179 H ILE 26 HN ILE 26 4.360 10.740 0.006
180 HA ILE 26 HA ILE 26 6.923 10.079 -1.140
181 HB ILE 26 HB ILE 26 5.709 12.774 -0.519
182 HG12 ILE 26 1HG1 ILE 26 5.793 12.552 -3.236
183 HG13 ILE 26 2HG1 ILE 26 5.463 10.869 -2.761
184 HG21 ILE 26 1HG2 ILE 26 7.420 13.675 -2.038
185 HG22 ILE 26 2HG2 ILE 26 8.131 12.049 -2.179
186 HG23 ILE 26 3HG2 ILE 26 8.141 12.892 -0.611
187 HD11 ILE 26 3HD1 ILE 26 3.501 11.613 -1.491
188 HD12 ILE 26 1HD1 ILE 26 3.393 12.092 -3.202
189 HD13 ILE 26 2HD1 ILE 26 3.832 13.296 -1.967
190 H LEU 27 HN LEU 27 5.694 11.074 1.940
191 HA LEU 27 HA LEU 27 8.236 11.975 2.958
192 HB2 LEU 27 HB1 LEU 27 5.462 11.753 3.946
193 HB3 LEU 27 HB2 LEU 27 6.735 11.572 5.178
194 HG LEU 27 HG LEU 27 6.381 13.956 3.348
195 HD11 LEU 27 1HD1 LEU 27 5.700 15.138 5.382
196 HD12 LEU 27 2HD1 LEU 27 5.802 13.615 6.297
197 HD13 LEU 27 3HD1 LEU 27 4.594 13.796 5.002
198 HD21 LEU 27 3HD2 LEU 27 8.280 13.476 5.655
199 HD22 LEU 27 1HD2 LEU 27 8.085 15.005 4.765
200 HD23 LEU 27 2HD2 LEU 27 8.720 13.566 3.933
201 H SER 28 HN SER 28 6.229 9.080 3.223
202 HA SER 28 HA SER 28 8.153 7.783 4.968
203 HB2 SER 28 HB1 SER 28 5.373 7.361 4.195
204 HB3 SER 28 HB2 SER 28 6.315 5.851 4.141
205 HG SER 28 HG SER 28 7.089 6.748 6.335
206 H SER 29 HN SER 29 7.020 7.558 1.634
207 HA SER 29 HA SER 29 7.846 6.496 -0.203
208 HB2 SER 29 HB1 SER 29 10.537 6.220 1.087
209 HB3 SER 29 HB2 SER 29 10.120 6.693 -0.578
210 HG SER 29 HG SER 29 10.669 8.581 0.330
211 H THR 30 HN THR 30 6.534 4.824 1.496
212 HA THR 30 HA THR 30 8.170 2.456 1.924
213 HB THR 30 HB THR 30 6.480 3.144 3.618
214 HG1 THR 30 HG1 THR 30 5.850 0.625 2.449
215 HG21 THR 30 3HG2 THR 30 4.741 3.962 2.097
216 HG22 THR 30 1HG2 THR 30 4.102 2.698 3.174
217 HG23 THR 30 2HG2 THR 30 4.498 2.310 1.483
218 H ASN 31 HN ASN 31 5.787 3.674 -0.298
219 HA ASN 31 HA ASN 31 5.582 1.057 -1.605
220 HB2 ASN 31 HB1 ASN 31 3.756 2.155 -2.941
221 HB3 ASN 31 HB2 ASN 31 3.441 2.047 -1.192
222 HD21 ASN 31 1HD2 ASN 31 3.391 4.047 -3.840
223 HD22 ASN 31 2HD2 ASN 31 3.346 5.574 -3.034
224 H VAL 32 HN VAL 32 6.779 4.301 -2.042
225 HA VAL 32 HA VAL 32 7.586 3.678 -4.797
226 HB VAL 32 HB VAL 32 6.391 5.786 -4.534
227 HG11 VAL 32 1HG1 VAL 32 7.357 7.642 -3.245
228 HG12 VAL 32 2HG1 VAL 32 8.638 6.554 -2.659
229 HG13 VAL 32 3HG1 VAL 32 6.943 6.257 -2.207
230 HG21 VAL 32 3HG2 VAL 32 9.337 6.180 -5.107
231 HG22 VAL 32 1HG2 VAL 32 8.028 7.284 -5.593
232 HG23 VAL 32 2HG2 VAL 32 8.101 5.639 -6.268
233 H GLY 33 HN GLY 33 8.825 4.438 -1.611
234 HA2 GLY 33 HA1 GLY 33 11.561 4.674 -2.549
235 HA3 GLY 33 HA2 GLY 33 11.014 4.765 -0.880
236 H SER 34 HN SER 34 9.868 2.474 -0.304
237 HA SER 34 HA SER 34 11.930 0.679 0.104
238 HB2 SER 34 HB1 SER 34 9.314 0.853 0.910
239 HB3 SER 34 HB2 SER 34 9.276 -0.584 -0.140
240 HG SER 34 HG SER 34 10.121 -0.452 2.348
241 H ASN 35 HN ASN 35 9.815 1.027 -2.642
242 HA ASN 35 HA ASN 35 10.046 -1.431 -3.877
243 HB2 ASN 35 HB1 ASN 35 8.907 0.933 -4.550
244 HB3 ASN 35 HB2 ASN 35 10.292 0.916 -5.668
245 HD21 ASN 35 1HD2 ASN 35 7.943 0.890 -6.838
246 HD22 ASN 35 2HD2 ASN 35 7.532 -0.675 -7.449
247 H THR 36 HN THR 36 12.497 0.831 -3.224
248 HA THR 36 HA THR 36 14.368 -0.700 -4.901
249 HB THR 36 HB THR 36 15.346 1.972 -4.580
250 HG1 THR 36 HG1 THR 36 12.662 1.710 -5.396
251 HG21 THR 36 3HG2 THR 36 16.054 0.396 -6.317
252 HG22 THR 36 1HG2 THR 36 15.434 1.900 -7.037
253 HG23 THR 36 2HG2 THR 36 14.421 0.437 -7.024
254 H TYR 37 HN TYR 37 13.925 1.406 -2.096
255 HA TYR 37 HA TYR 37 16.466 0.431 -0.990
256 HB2 TYR 37 HB1 TYR 37 14.763 2.670 0.109
257 HB3 TYR 37 HB2 TYR 37 16.471 2.314 0.462
258 HD1 TYR 37 HD1 TYR 37 17.537 1.906 -2.272
259 HD2 TYR 37 HD2 TYR 37 14.818 4.829 -0.798
260 HE1 TYR 37 HE1 TYR 37 18.232 3.444 -4.059
261 HE2 TYR 37 HE2 TYR 37 15.505 6.375 -2.583
262 HH TYR 37 HH TYR 37 16.544 6.064 -4.990
263 HN1 NH2 38 HN1 NH2 37 13.233 -0.809 -1.065
264 HN2 NH2 38 HN2 NH2 37 13.102 -1.364 0.699