Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8930 | 1n4n RC | 5612 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 -10.841 8.695 -11.397
2 2H ALA 1 HT2 ALA 1 -11.569 10.175 -11.023
3 3H ALA 1 HT3 ALA 1 -11.152 9.102 -9.783
4 HA ALA 1 HA ALA 1 -8.979 9.844 -11.500
5 1HB ALA 1 HB1 ALA 1 -10.040 11.918 -9.596
6 2HB ALA 1 HB2 ALA 1 -10.358 11.945 -11.330
7 3HB ALA 1 HB3 ALA 1 -8.703 12.072 -10.735
8 H THR 2 HN THR 2 -9.483 7.745 -9.689
9 HA THR 2 HA THR 2 -7.312 8.169 -7.827
10 HB THR 2 HB THR 2 -9.968 7.191 -6.757
11 HG1 THR 2 HG1 THR 2 -8.856 9.786 -6.884
12 1HG2 THR 2 HG21 THR 2 -7.941 8.322 -4.954
13 2HG2 THR 2 HG22 THR 2 -7.454 6.831 -5.760
14 3HG2 THR 2 HG23 THR 2 -8.922 6.867 -4.784
15 H CYS 3 HN CYS 3 -6.071 6.388 -7.939
16 HA CYS 3 HA CYS 3 -7.395 3.850 -8.635
17 1HB CYS 3 HB2 CYS 3 -4.798 5.007 -9.632
18 2HB CYS 3 HB1 CYS 3 -5.139 3.278 -9.727
19 H LYS 4 HN LYS 4 -6.875 2.064 -7.513
20 HA LYS 4 HA LYS 4 -4.771 2.264 -5.459
21 1HB LYS 4 HB2 LYS 4 -6.971 2.607 -4.398
22 2HB LYS 4 HB1 LYS 4 -7.534 1.086 -5.081
23 1HG LYS 4 HG2 LYS 4 -5.448 0.114 -3.820
24 2HG LYS 4 HG1 LYS 4 -5.629 1.575 -2.848
25 1HD LYS 4 HD2 LYS 4 -6.842 -0.210 -1.799
26 2HD LYS 4 HD1 LYS 4 -7.996 0.955 -2.450
27 1HE LYS 4 HE2 LYS 4 -8.716 -1.335 -2.902
28 2HE LYS 4 HE1 LYS 4 -8.356 -0.478 -4.399
29 1HZ LYS 4 HZ1 LYS 4 -6.085 -1.900 -3.338
30 2HZ LYS 4 HZ2 LYS 4 -6.745 -1.919 -4.898
31 3HZ LYS 4 HZ3 LYS 4 -7.387 -2.919 -3.699
32 H ALA 5 HN ALA 5 -3.593 0.492 -5.134
33 HA ALA 5 HA ALA 5 -4.372 -2.116 -6.063
34 1HB ALA 5 HB1 ALA 5 -3.020 -2.382 -7.874
35 2HB ALA 5 HB2 ALA 5 -1.796 -1.273 -7.256
36 3HB ALA 5 HB3 ALA 5 -3.255 -0.640 -8.018
37 H GLU 6 HN GLU 6 -3.474 -3.553 -4.683
38 HA GLU 6 HA GLU 6 -1.861 -2.596 -2.572
39 1HB GLU 6 HB2 GLU 6 -2.615 -5.429 -3.320
40 2HB GLU 6 HB1 GLU 6 -1.682 -5.014 -1.907
41 1HG GLU 6 HG2 GLU 6 -4.104 -5.430 -1.492
42 2HG GLU 6 HG1 GLU 6 -3.489 -3.896 -0.894
43 H CYS 7 HN CYS 7 0.235 -2.875 -2.129
44 HA CYS 7 HA CYS 7 2.135 -2.724 -4.093
45 1HB CYS 7 HB2 CYS 7 2.900 -2.122 -1.990
46 2HB CYS 7 HB1 CYS 7 2.212 -3.542 -1.216
47 HA PRO 8 HA PRO 8 2.007 -6.731 -6.049
48 1HB PRO 8 HB2 PRO 8 4.744 -5.894 -6.883
49 2HB PRO 8 HB1 PRO 8 3.400 -6.485 -7.866
50 1HG PRO 8 HG2 PRO 8 4.028 -3.901 -7.853
51 2HG PRO 8 HG1 PRO 8 2.333 -4.423 -7.885
52 1HD PRO 8 HD2 PRO 8 3.941 -3.334 -5.617
53 2HD PRO 8 HD1 PRO 8 2.228 -3.085 -6.010
54 H THR 9 HN THR 9 5.011 -5.670 -4.491
55 HA THR 9 HA THR 9 5.716 -8.412 -3.844
56 HB THR 9 HB THR 9 7.694 -7.124 -2.704
57 HG1 THR 9 HG1 THR 9 6.728 -5.043 -2.900
58 1HG2 THR 9 HG21 THR 9 8.622 -6.728 -5.153
59 2HG2 THR 9 HG22 THR 9 7.163 -7.614 -5.593
60 3HG2 THR 9 HG23 THR 9 8.355 -8.354 -4.525
61 H TRP 10 HN TRP 10 3.348 -7.665 -2.636
62 HA TRP 10 HA TRP 10 4.158 -7.582 0.185
63 1HB TRP 10 HB2 TRP 10 3.264 -5.346 -0.768
64 2HB TRP 10 HB1 TRP 10 1.696 -6.147 -0.770
65 HD1 TRP 10 HD1 TRP 10 0.534 -6.583 1.562
66 HE1 TRP 10 HE1 TRP 10 1.011 -5.677 3.943
67 HE3 TRP 10 HE3 TRP 10 5.151 -4.554 0.740
68 HZ2 TRP 10 HZ2 TRP 10 3.096 -4.247 5.269
69 HZ3 TRP 10 HZ3 TRP 10 6.302 -3.423 2.592
70 HH2 TRP 10 HH2 TRP 10 5.294 -3.277 4.806
71 H ASP 11 HN ASP 11 3.504 -9.394 1.069
72 HA ASP 11 HA ASP 11 0.757 -10.251 0.771
73 1HB ASP 11 HB2 ASP 11 2.232 -11.424 -1.021
74 2HB ASP 11 HB1 ASP 11 2.888 -12.334 0.339
75 H SER 12 HN SER 12 1.727 -9.076 2.889
76 HA SER 12 HA SER 12 1.693 -11.139 4.910
77 1HB SER 12 HB2 SER 12 4.005 -9.185 4.723
78 2HB SER 12 HB1 SER 12 3.721 -10.313 6.048
79 HG SER 12 HG SER 12 3.671 -11.682 3.763
80 H VAL 13 HN VAL 13 1.783 -10.015 7.146
81 HA VAL 13 HA VAL 13 -0.275 -8.017 7.145
82 HB VAL 13 HB VAL 13 1.279 -9.224 9.442
83 1HG1 VAL 13 HG11 VAL 13 -0.803 -8.471 10.731
84 2HG1 VAL 13 HG12 VAL 13 -1.100 -7.399 9.362
85 3HG1 VAL 13 HG13 VAL 13 0.386 -7.243 10.299
86 1HG2 VAL 13 HG21 VAL 13 -1.553 -9.910 8.854
87 2HG2 VAL 13 HG22 VAL 13 -0.284 -10.882 9.598
88 3HG2 VAL 13 HG23 VAL 13 -0.292 -10.631 7.853
89 H CYS 14 HN CYS 14 0.014 -5.908 7.120
90 HA CYS 14 HA CYS 14 2.609 -4.721 7.267
91 1HB CYS 14 HB2 CYS 14 1.235 -3.579 5.793
92 2HB CYS 14 HB1 CYS 14 -0.176 -3.718 6.837
93 H ILE 15 HN ILE 15 3.617 -3.906 8.972
94 HA ILE 15 HA ILE 15 2.193 -3.797 11.525
95 HB ILE 15 HB ILE 15 5.166 -3.641 10.988
96 1HG1 ILE 15 HG12 ILE 15 3.510 -5.967 11.993
97 2HG1 ILE 15 HG11 ILE 15 4.149 -5.821 10.360
98 1HG2 ILE 15 HG21 ILE 15 5.383 -3.047 13.116
99 2HG2 ILE 15 HG22 ILE 15 4.562 -4.527 13.611
100 3HG2 ILE 15 HG23 ILE 15 3.630 -3.060 13.311
101 1HD1 ILE 15 HD11 ILE 15 5.841 -7.035 11.162
102 2HD1 ILE 15 HD12 ILE 15 5.471 -6.629 12.838
103 3HD1 ILE 15 HD13 ILE 15 6.399 -5.507 11.842
104 H ASN 16 HN ASN 16 4.031 -1.817 9.277
105 HA ASN 16 HA ASN 16 3.040 0.569 10.647
106 1HB ASN 16 HB2 ASN 16 5.395 0.075 11.401
107 2HB ASN 16 HB1 ASN 16 5.914 0.301 9.735
108 1HD2 ASN 16 HD21 ASN 16 5.243 1.786 12.681
109 2HD2 ASN 16 HD22 ASN 16 5.369 3.432 12.168
110 H LYS 17 HN LYS 17 2.885 2.416 9.294
111 HA LYS 17 HA LYS 17 2.030 1.875 6.672
112 1HB LYS 17 HB2 LYS 17 1.302 3.764 8.210
113 2HB LYS 17 HB1 LYS 17 2.779 4.593 7.743
114 1HG LYS 17 HG2 LYS 17 2.043 4.542 5.393
115 2HG LYS 17 HG1 LYS 17 0.540 3.767 5.900
116 1HD LYS 17 HD2 LYS 17 0.132 5.748 7.390
117 2HD LYS 17 HD1 LYS 17 1.521 6.525 6.630
118 1HE LYS 17 HE2 LYS 17 -0.960 5.573 5.198
119 2HE LYS 17 HE1 LYS 17 -0.615 7.243 5.639
120 1HZ LYS 17 HZ1 LYS 17 0.793 5.553 3.655
121 2HZ LYS 17 HZ2 LYS 17 1.452 6.997 4.238
122 3HZ LYS 17 HZ3 LYS 17 -0.012 7.020 3.389
123 H LYS 18 HN LYS 18 5.093 3.136 7.917
124 HA LYS 18 HA LYS 18 6.225 4.196 5.657
125 1HB LYS 18 HB2 LYS 18 7.590 2.610 7.828
126 2HB LYS 18 HB1 LYS 18 8.445 3.540 6.605
127 1HG LYS 18 HG2 LYS 18 7.236 5.568 7.401
128 2HG LYS 18 HG1 LYS 18 6.577 4.594 8.716
129 1HD LYS 18 HD2 LYS 18 9.513 5.046 8.178
130 2HD LYS 18 HD1 LYS 18 8.561 5.885 9.403
131 1HE LYS 18 HE2 LYS 18 8.136 3.786 10.545
132 2HE LYS 18 HE1 LYS 18 9.001 2.902 9.289
133 1HZ LYS 18 HZ1 LYS 18 10.406 3.231 11.206
134 2HZ LYS 18 HZ2 LYS 18 10.176 4.906 11.141
135 3HZ LYS 18 HZ3 LYS 18 11.016 4.120 9.902
136 HA PRO 19 HA PRO 19 8.082 -0.267 4.393
137 1HB PRO 19 HB2 PRO 19 5.658 -1.703 5.426
138 2HB PRO 19 HB1 PRO 19 7.304 -2.310 5.231
139 1HG PRO 19 HG2 PRO 19 6.456 -1.638 7.629
140 2HG PRO 19 HG1 PRO 19 8.080 -1.142 7.111
141 1HD PRO 19 HD2 PRO 19 5.579 0.480 7.325
142 2HD PRO 19 HD1 PRO 19 7.257 0.942 7.671
143 H CYS 20 HN CYS 20 4.574 0.149 4.626
144 HA CYS 20 HA CYS 20 3.933 -0.831 2.066
145 1HB CYS 20 HB2 CYS 20 2.272 -0.646 3.854
146 2HB CYS 20 HB1 CYS 20 2.447 1.104 3.872
147 H VAL 21 HN VAL 21 4.261 2.517 3.271
148 HA VAL 21 HA VAL 21 3.796 3.831 0.844
149 HB VAL 21 HB VAL 21 5.670 4.740 3.044
150 1HG1 VAL 21 HG11 VAL 21 5.822 5.967 0.878
151 2HG1 VAL 21 HG12 VAL 21 5.304 6.965 2.237
152 3HG1 VAL 21 HG13 VAL 21 4.121 6.397 1.059
153 1HG2 VAL 21 HG21 VAL 21 3.569 4.278 4.056
154 2HG2 VAL 21 HG22 VAL 21 2.691 5.049 2.735
155 3HG2 VAL 21 HG23 VAL 21 3.665 6.025 3.835
156 H ALA 22 HN ALA 22 6.720 2.408 2.194
157 HA ALA 22 HA ALA 22 8.579 3.405 0.346
158 1HB ALA 22 HB1 ALA 22 8.685 1.728 2.524
159 2HB ALA 22 HB2 ALA 22 10.038 2.135 1.469
160 3HB ALA 22 HB3 ALA 22 9.110 0.664 1.183
161 H CYS 23 HN CYS 23 6.642 0.411 0.299
162 HA CYS 23 HA CYS 23 7.603 -0.527 -2.183
163 1HB CYS 23 HB2 CYS 23 6.231 -1.879 -0.527
164 2HB CYS 23 HB1 CYS 23 4.822 -1.015 -1.125
165 H CYS 24 HN CYS 24 4.711 1.303 -1.321
166 HA CYS 24 HA CYS 24 3.622 1.559 -3.863
167 1HB CYS 24 HB2 CYS 24 3.483 3.506 -1.557
168 2HB CYS 24 HB1 CYS 24 2.408 3.501 -2.949
169 H LYS 25 HN LYS 25 6.044 3.600 -2.253
170 HA LYS 25 HA LYS 25 6.134 5.586 -4.254
171 1HB LYS 25 HB2 LYS 25 8.132 4.720 -2.175
172 2HB LYS 25 HB1 LYS 25 8.469 6.023 -3.307
173 1HG LYS 25 HG2 LYS 25 6.517 7.243 -2.484
174 2HG LYS 25 HG1 LYS 25 6.188 5.939 -1.343
175 1HD LYS 25 HD2 LYS 25 8.707 7.600 -1.411
176 2HD LYS 25 HD1 LYS 25 7.359 7.843 -0.299
177 1HE LYS 25 HE2 LYS 25 7.701 5.557 0.565
178 2HE LYS 25 HE1 LYS 25 9.094 5.384 -0.504
179 1HZ LYS 25 HZ1 LYS 25 10.253 7.059 0.666
180 2HZ LYS 25 HZ2 LYS 25 9.611 6.025 1.841
181 3HZ LYS 25 HZ3 LYS 25 8.878 7.520 1.539
182 H LYS 26 HN LYS 26 8.115 2.644 -3.783
183 HA LYS 26 HA LYS 26 9.628 3.142 -6.155
184 1HB LYS 26 HB2 LYS 26 10.513 0.855 -5.872
185 2HB LYS 26 HB1 LYS 26 10.644 1.820 -4.414
186 1HG LYS 26 HG2 LYS 26 9.987 -0.248 -3.627
187 2HG LYS 26 HG1 LYS 26 8.469 0.645 -3.695
188 1HD LYS 26 HD2 LYS 26 8.197 -1.616 -4.572
189 2HD LYS 26 HD1 LYS 26 7.942 -0.414 -5.838
190 1HE LYS 26 HE2 LYS 26 10.278 -0.781 -6.585
191 2HE LYS 26 HE1 LYS 26 10.425 -2.065 -5.385
192 1HZ LYS 26 HZ1 LYS 26 9.902 -2.986 -7.533
193 2HZ LYS 26 HZ2 LYS 26 8.530 -2.006 -7.669
194 3HZ LYS 26 HZ3 LYS 26 8.589 -3.219 -6.491
195 H ALA 27 HN ALA 27 6.501 2.073 -5.651
196 HA ALA 27 HA ALA 27 6.377 0.538 -8.138
197 1HB ALA 27 HB1 ALA 27 4.666 0.776 -5.738
198 2HB ALA 27 HB2 ALA 27 5.063 -0.638 -6.714
199 3HB ALA 27 HB3 ALA 27 3.840 0.504 -7.272
200 H LYS 28 HN LYS 28 6.316 3.662 -7.248
201 HA LYS 28 HA LYS 28 5.809 5.587 -8.308
202 1HB LYS 28 HB2 LYS 28 6.304 4.239 -10.376
203 2HB LYS 28 HB1 LYS 28 4.580 3.935 -10.515
204 1HG LYS 28 HG2 LYS 28 4.131 6.259 -10.859
205 2HG LYS 28 HG1 LYS 28 5.806 6.684 -10.501
206 1HD LYS 28 HD2 LYS 28 5.343 6.683 -12.919
207 2HD LYS 28 HD1 LYS 28 6.561 5.487 -12.472
208 1HE LYS 28 HE2 LYS 28 4.766 3.760 -12.459
209 2HE LYS 28 HE1 LYS 28 3.649 4.980 -13.069
210 1HZ LYS 28 HZ1 LYS 28 4.413 3.803 -14.934
211 2HZ LYS 28 HZ2 LYS 28 6.024 3.847 -14.423
212 3HZ LYS 28 HZ3 LYS 28 5.270 5.262 -14.960
213 H PHE 29 HN PHE 29 4.223 4.917 -6.312
214 HA PHE 29 HA PHE 29 1.539 5.746 -7.197
215 1HB PHE 29 HB2 PHE 29 2.305 3.806 -5.018
216 2HB PHE 29 HB1 PHE 29 0.760 4.640 -4.992
217 HD1 PHE 29 HD1 PHE 29 2.854 2.557 -7.281
218 HD2 PHE 29 HD2 PHE 29 -1.048 3.652 -5.989
219 HE1 PHE 29 HE1 PHE 29 1.887 0.845 -8.760
220 HE2 PHE 29 HE2 PHE 29 -2.022 1.942 -7.463
221 HZ PHE 29 HZ PHE 29 -0.554 0.535 -8.851
222 H SER 30 HN SER 30 0.508 7.304 -5.904
223 HA SER 30 HA SER 30 2.133 9.310 -4.883
224 1HB SER 30 HB2 SER 30 -0.741 9.007 -4.063
225 2HB SER 30 HB1 SER 30 0.156 10.481 -4.433
226 HG SER 30 HG SER 30 -0.130 10.163 -6.540
227 H ASP 31 HN ASP 31 0.179 6.925 -3.102
228 HA ASP 31 HA ASP 31 2.028 6.911 -0.919
229 1HB ASP 31 HB2 ASP 31 0.871 8.974 -0.317
230 2HB ASP 31 HB1 ASP 31 -0.688 8.164 -0.440
231 H GLY 32 HN GLY 32 1.602 5.273 0.600
232 1HA GLY 32 HA2 GLY 32 -0.446 3.345 -0.303
233 2HA GLY 32 HA1 GLY 32 1.113 2.879 0.365
234 H HIS 33 HN HIS 33 -1.747 2.376 1.142
235 HA HIS 33 HA HIS 33 -1.398 3.061 3.976
236 1HB HIS 33 HB2 HIS 33 -3.824 3.474 4.180
237 2HB HIS 33 HB1 HIS 33 -3.040 4.622 3.110
238 HD1 HIS 33 HD1 HIS 33 -5.615 1.953 3.192
239 HD2 HIS 33 HD2 HIS 33 -3.734 4.315 0.342
240 HE1 HIS 33 HE1 HIS 33 -6.974 1.699 1.094
241 H CYS 34 HN CYS 34 -1.618 1.413 5.281
242 HA CYS 34 HA CYS 34 -2.019 -1.201 4.235
243 1HB CYS 34 HB2 CYS 34 -1.791 -0.291 7.108
244 2HB CYS 34 HB1 CYS 34 -1.640 -1.951 6.534
245 H SER 35 HN SER 35 -3.733 -2.480 4.248
246 HA SER 35 HA SER 35 -6.313 -1.392 4.705
247 1HB SER 35 HB2 SER 35 -5.819 -3.080 2.954
248 2HB SER 35 HB1 SER 35 -5.522 -4.274 4.216
249 HG SER 35 HG SER 35 -7.843 -3.560 3.116
250 H LYS 36 HN LYS 36 -7.961 -2.457 6.037
251 HA LYS 36 HA LYS 36 -6.962 -2.900 8.730
252 1HB LYS 36 HB2 LYS 36 -8.767 -1.340 8.572
253 2HB LYS 36 HB1 LYS 36 -9.718 -2.439 7.584
254 1HG LYS 36 HG2 LYS 36 -9.978 -3.941 9.481
255 2HG LYS 36 HG1 LYS 36 -9.003 -2.860 10.479
256 1HD LYS 36 HD2 LYS 36 -11.611 -2.113 9.157
257 2HD LYS 36 HD1 LYS 36 -11.436 -2.586 10.847
258 1HE LYS 36 HE2 LYS 36 -9.928 -0.678 11.206
259 2HE LYS 36 HE1 LYS 36 -10.145 -0.201 9.523
260 1HZ LYS 36 HZ1 LYS 36 -11.594 0.805 11.475
261 2HZ LYS 36 HZ2 LYS 36 -12.556 -0.542 11.131
262 3HZ LYS 36 HZ3 LYS 36 -12.217 0.586 9.917
263 H ILE 37 HN ILE 37 -8.478 -4.607 6.111
264 HA ILE 37 HA ILE 37 -9.369 -6.873 7.560
265 HB ILE 37 HB ILE 37 -8.598 -6.944 4.660
266 1HG1 ILE 37 HG12 ILE 37 -11.225 -5.902 5.729
267 2HG1 ILE 37 HG11 ILE 37 -9.923 -4.864 5.153
268 1HG2 ILE 37 HG21 ILE 37 -10.958 -8.249 4.897
269 2HG2 ILE 37 HG22 ILE 37 -10.254 -8.544 6.487
270 3HG2 ILE 37 HG23 ILE 37 -9.379 -9.024 5.033
271 1HD1 ILE 37 HD11 ILE 37 -11.057 -4.978 3.220
272 2HD1 ILE 37 HD12 ILE 37 -11.852 -6.492 3.651
273 3HD1 ILE 37 HD13 ILE 37 -10.197 -6.509 3.037
274 H LEU 38 HN LEU 38 -7.340 -7.678 4.904
275 HA LEU 38 HA LEU 38 -5.819 -9.506 6.492
276 1HB LEU 38 HB2 LEU 38 -6.573 -9.857 4.107
277 2HB LEU 38 HB1 LEU 38 -5.319 -8.735 3.626
278 HG LEU 38 HG LEU 38 -3.616 -10.205 4.574
279 1HD1 LEU 38 HD11 LEU 38 -5.747 -12.279 4.984
280 2HD1 LEU 38 HD12 LEU 38 -5.235 -11.197 6.279
281 3HD1 LEU 38 HD13 LEU 38 -4.072 -12.294 5.534
282 1HD2 LEU 38 HD21 LEU 38 -4.175 -10.465 2.235
283 2HD2 LEU 38 HD22 LEU 38 -5.496 -11.559 2.645
284 3HD2 LEU 38 HD23 LEU 38 -3.827 -12.043 2.942
285 H ARG 39 HN ARG 39 -5.566 -6.339 6.242
286 HA ARG 39 HA ARG 39 -4.009 -4.780 6.736
287 1HB ARG 39 HB2 ARG 39 -3.544 -6.572 8.503
288 2HB ARG 39 HB1 ARG 39 -2.171 -7.036 7.511
289 1HG ARG 39 HG2 ARG 39 -1.491 -5.580 9.316
290 2HG ARG 39 HG1 ARG 39 -1.232 -4.804 7.753
291 1HD ARG 39 HD2 ARG 39 -3.249 -3.497 8.036
292 2HD ARG 39 HD1 ARG 39 -3.602 -4.326 9.553
293 HE ARG 39 HE ARG 39 -1.090 -3.252 9.875
294 1HH1 ARG 39 HH11 ARG 39 -4.260 -2.002 9.092
295 2HH1 ARG 39 HH12 ARG 39 -4.015 -0.493 9.909
296 1HH2 ARG 39 HH21 ARG 39 -0.747 -1.264 10.958
297 2HH2 ARG 39 HH22 ARG 39 -2.004 -0.071 10.980
298 H ARG 40 HN ARG 40 -4.112 -5.967 4.062
299 HA ARG 40 HA ARG 40 -1.453 -6.181 3.036
300 1HB ARG 40 HB2 ARG 40 -4.144 -5.823 1.740
301 2HB ARG 40 HB1 ARG 40 -2.663 -5.766 0.796
302 1HG ARG 40 HG2 ARG 40 -2.109 -8.034 1.617
303 2HG ARG 40 HG1 ARG 40 -3.676 -8.081 2.429
304 1HD ARG 40 HD2 ARG 40 -4.804 -7.786 0.281
305 2HD ARG 40 HD1 ARG 40 -3.243 -7.712 -0.536
306 HE ARG 40 HE ARG 40 -4.637 -10.055 0.322
307 1HH1 ARG 40 HH11 ARG 40 -1.457 -8.755 -0.428
308 2HH1 ARG 40 HH12 ARG 40 -0.721 -10.323 -0.579
309 1HH2 ARG 40 HH21 ARG 40 -3.618 -12.119 0.109
310 2HH2 ARG 40 HH22 ARG 40 -1.916 -12.199 -0.269
311 H CYS 41 HN CYS 41 -0.429 -4.687 1.573
312 HA CYS 41 HA CYS 41 -0.715 -1.942 2.446
313 1HB CYS 41 HB2 CYS 41 1.528 -2.737 2.275
314 2HB CYS 41 HB1 CYS 41 1.252 -3.365 0.654
315 H LEU 42 HN LEU 42 -2.426 -0.929 1.516
316 HA LEU 42 HA LEU 42 -3.018 -1.347 -1.302
317 1HB LEU 42 HB2 LEU 42 -4.344 0.135 0.951
318 2HB LEU 42 HB1 LEU 42 -4.808 0.472 -0.705
319 HG LEU 42 HG LEU 42 -5.515 -1.868 -0.983
320 1HD1 LEU 42 HD11 LEU 42 -4.612 -3.418 0.320
321 2HD1 LEU 42 HD12 LEU 42 -5.691 -2.858 1.597
322 3HD1 LEU 42 HD13 LEU 42 -4.053 -2.215 1.482
323 1HD2 LEU 42 HD21 LEU 42 -7.439 -0.930 -0.367
324 2HD2 LEU 42 HD22 LEU 42 -6.673 -0.001 0.922
325 3HD2 LEU 42 HD23 LEU 42 -7.160 -1.672 1.209
326 H CYS 43 HN CYS 43 -1.924 -0.190 -2.782
327 HA CYS 43 HA CYS 43 -0.799 2.385 -2.000
328 1HB CYS 43 HB2 CYS 43 -0.428 0.778 -4.537
329 2HB CYS 43 HB1 CYS 43 0.395 2.283 -4.159
330 H THR 44 HN THR 44 -1.562 4.278 -2.697
331 HA THR 44 HA THR 44 -3.737 4.213 -4.682
332 HB THR 44 HB THR 44 -4.340 6.454 -3.343
333 HG1 THR 44 HG1 THR 44 -2.513 5.813 -1.836
334 1HG2 THR 44 HG21 THR 44 -5.252 3.702 -3.306
335 2HG2 THR 44 HG22 THR 44 -6.186 5.197 -3.305
336 3HG2 THR 44 HG23 THR 44 -5.593 4.527 -1.785
337 H LYS 45 HN LYS 45 -3.784 5.816 -6.223
338 HA LYS 45 HA LYS 45 -1.873 7.976 -6.134
339 1HB LYS 45 HB2 LYS 45 -0.770 7.396 -8.246
340 2HB LYS 45 HB1 LYS 45 -0.455 6.202 -6.997
341 1HG LYS 45 HG2 LYS 45 -2.061 4.692 -7.987
342 2HG LYS 45 HG1 LYS 45 -2.496 5.907 -9.192
343 1HD LYS 45 HD2 LYS 45 0.372 5.222 -8.998
344 2HD LYS 45 HD1 LYS 45 -0.689 3.961 -9.625
345 1HE LYS 45 HE2 LYS 45 0.257 5.354 -11.411
346 2HE LYS 45 HE1 LYS 45 -1.500 5.448 -11.350
347 1HZ LYS 45 HZ1 LYS 45 -1.455 7.616 -10.751
348 2HZ LYS 45 HZ2 LYS 45 0.039 7.580 -11.536
349 3HZ LYS 45 HZ3 LYS 45 -0.025 7.480 -9.853
350 H GLU 46 HN GLU 46 -1.925 9.209 -8.204
351 HA GLU 46 HA GLU 46 -4.650 9.877 -8.790
352 1HB GLU 46 HB2 GLU 46 -3.669 11.703 -10.114
353 2HB GLU 46 HB1 GLU 46 -2.974 11.631 -8.502
354 1HG GLU 46 HG2 GLU 46 -1.669 10.483 -10.960
355 2HG GLU 46 HG1 GLU 46 -1.337 12.088 -10.317
356 H CYS 47 HN CYS 47 -5.644 9.845 -10.791
357 HA CYS 47 HA CYS 47 -4.532 8.912 -13.188
358 1HB CYS 47 HB2 CYS 47 -5.599 6.727 -13.379
359 2HB CYS 47 HB1 CYS 47 -4.488 6.737 -12.014
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 -11.809 11.273 -6.498
2 2H ALA 1 HT2 ALA 1 -13.423 11.309 -6.994
3 3H ALA 1 HT3 ALA 1 -12.272 10.473 -7.916
4 HA ALA 1 HA ALA 1 -13.430 9.757 -5.307
5 1HB ALA 1 HB1 ALA 1 -13.316 8.585 -8.037
6 2HB ALA 1 HB2 ALA 1 -14.662 8.676 -6.901
7 3HB ALA 1 HB3 ALA 1 -13.381 7.488 -6.657
8 H THR 2 HN THR 2 -12.486 7.692 -4.411
9 HA THR 2 HA THR 2 -9.552 7.773 -4.641
10 HB THR 2 HB THR 2 -11.107 6.842 -2.222
11 HG1 THR 2 HG1 THR 2 -10.059 9.102 -1.593
12 1HG2 THR 2 HG21 THR 2 -8.398 7.959 -1.964
13 2HG2 THR 2 HG22 THR 2 -8.491 6.447 -2.867
14 3HG2 THR 2 HG23 THR 2 -9.109 6.529 -1.218
15 H CYS 3 HN CYS 3 -8.909 6.095 -5.806
16 HA CYS 3 HA CYS 3 -10.421 3.601 -5.716
17 1HB CYS 3 HB2 CYS 3 -8.357 4.727 -7.589
18 2HB CYS 3 HB1 CYS 3 -8.782 3.017 -7.630
19 H LYS 4 HN LYS 4 -9.740 1.824 -4.739
20 HA LYS 4 HA LYS 4 -6.983 1.780 -3.688
21 1HB LYS 4 HB2 LYS 4 -8.752 1.855 -1.932
22 2HB LYS 4 HB1 LYS 4 -9.403 0.348 -2.569
23 1HG LYS 4 HG2 LYS 4 -6.851 -0.388 -2.210
24 2HG LYS 4 HG1 LYS 4 -6.986 0.837 -0.949
25 1HD LYS 4 HD2 LYS 4 -7.536 -1.270 0.016
26 2HD LYS 4 HD1 LYS 4 -9.028 -0.341 -0.131
27 1HE LYS 4 HE2 LYS 4 -9.398 -2.652 -0.802
28 2HE LYS 4 HE1 LYS 4 -9.588 -1.573 -2.182
29 1HZ LYS 4 HZ1 LYS 4 -7.000 -2.228 -2.372
30 2HZ LYS 4 HZ2 LYS 4 -8.236 -3.052 -3.169
31 3HZ LYS 4 HZ3 LYS 4 -7.619 -3.660 -1.714
32 H ALA 5 HN ALA 5 -5.733 0.101 -4.139
33 HA ALA 5 HA ALA 5 -6.767 -2.430 -5.022
34 1HB ALA 5 HB1 ALA 5 -6.869 -0.987 -7.093
35 2HB ALA 5 HB2 ALA 5 -5.891 -2.447 -7.237
36 3HB ALA 5 HB3 ALA 5 -5.110 -0.882 -7.011
37 H GLU 6 HN GLU 6 -5.344 -3.980 -4.460
38 HA GLU 6 HA GLU 6 -3.022 -3.246 -3.032
39 1HB GLU 6 HB2 GLU 6 -3.906 -5.951 -4.058
40 2HB GLU 6 HB1 GLU 6 -2.532 -5.697 -3.009
41 1HG GLU 6 HG2 GLU 6 -4.312 -6.408 -1.639
42 2HG GLU 6 HG1 GLU 6 -4.074 -4.694 -1.329
43 H CYS 7 HN CYS 7 -0.947 -3.206 -3.597
44 HA CYS 7 HA CYS 7 -0.192 -2.560 -6.173
45 1HB CYS 7 HB2 CYS 7 1.164 -2.169 -4.090
46 2HB CYS 7 HB1 CYS 7 1.644 -3.861 -4.150
47 HA PRO 8 HA PRO 8 -0.526 -6.392 -8.391
48 1HB PRO 8 HB2 PRO 8 1.413 -5.047 -10.200
49 2HB PRO 8 HB1 PRO 8 -0.152 -5.779 -10.570
50 1HG PRO 8 HG2 PRO 8 0.131 -3.130 -10.493
51 2HG PRO 8 HG1 PRO 8 -1.339 -3.912 -9.881
52 1HD PRO 8 HD2 PRO 8 0.964 -2.752 -8.372
53 2HD PRO 8 HD1 PRO 8 -0.768 -2.731 -7.982
54 H THR 9 HN THR 9 2.659 -4.862 -8.043
55 HA THR 9 HA THR 9 3.978 -7.441 -8.206
56 HB THR 9 HB THR 9 6.071 -6.088 -7.874
57 HG1 THR 9 HG1 THR 9 4.533 -4.282 -6.945
58 1HG2 THR 9 HG21 THR 9 4.353 -5.071 -10.135
59 2HG2 THR 9 HG22 THR 9 5.102 -6.668 -10.118
60 3HG2 THR 9 HG23 THR 9 6.110 -5.220 -10.101
61 H TRP 10 HN TRP 10 2.329 -7.569 -6.101
62 HA TRP 10 HA TRP 10 4.183 -7.461 -3.826
63 1HB TRP 10 HB2 TRP 10 2.519 -5.546 -3.778
64 2HB TRP 10 HB1 TRP 10 1.252 -6.756 -3.598
65 HD1 TRP 10 HD1 TRP 10 0.858 -7.749 -1.217
66 HE1 TRP 10 HE1 TRP 10 1.908 -7.304 1.105
67 HE3 TRP 10 HE3 TRP 10 4.800 -4.838 -2.663
68 HZ2 TRP 10 HZ2 TRP 10 4.122 -5.865 2.167
69 HZ3 TRP 10 HZ3 TRP 10 6.316 -3.951 -0.944
70 HH2 TRP 10 HH2 TRP 10 5.983 -4.459 1.417
71 H ASP 11 HN ASP 11 4.467 -9.465 -3.165
72 HA ASP 11 HA ASP 11 2.197 -11.193 -2.658
73 1HB ASP 11 HB2 ASP 11 2.957 -11.669 -5.037
74 2HB ASP 11 HB1 ASP 11 4.480 -12.231 -4.351
75 H SER 12 HN SER 12 3.285 -10.207 -0.654
76 HA SER 12 HA SER 12 4.836 -12.280 0.599
77 1HB SER 12 HB2 SER 12 6.011 -9.498 0.301
78 2HB SER 12 HB1 SER 12 6.675 -10.779 1.314
79 HG SER 12 HG SER 12 6.282 -11.692 -1.190
80 H VAL 13 HN VAL 13 5.110 -11.841 2.940
81 HA VAL 13 HA VAL 13 2.713 -10.656 3.999
82 HB VAL 13 HB VAL 13 5.099 -11.802 5.475
83 1HG1 VAL 13 HG11 VAL 13 2.324 -11.071 6.391
84 2HG1 VAL 13 HG12 VAL 13 3.859 -10.417 6.962
85 3HG1 VAL 13 HG13 VAL 13 3.424 -12.088 7.322
86 1HG2 VAL 13 HG21 VAL 13 4.405 -13.787 4.755
87 2HG2 VAL 13 HG22 VAL 13 2.989 -13.074 3.982
88 3HG2 VAL 13 HG23 VAL 13 2.925 -13.540 5.681
89 H CYS 14 HN CYS 14 2.535 -8.571 4.322
90 HA CYS 14 HA CYS 14 4.863 -6.880 4.522
91 1HB CYS 14 HB2 CYS 14 3.137 -6.093 3.097
92 2HB CYS 14 HB1 CYS 14 1.909 -6.334 4.335
93 H ILE 15 HN ILE 15 5.408 -5.562 6.186
94 HA ILE 15 HA ILE 15 3.956 -5.844 8.725
95 HB ILE 15 HB ILE 15 6.974 -5.855 8.441
96 1HG1 ILE 15 HG12 ILE 15 5.129 -8.075 9.356
97 2HG1 ILE 15 HG11 ILE 15 5.894 -7.997 7.772
98 1HG2 ILE 15 HG21 ILE 15 6.137 -6.653 11.019
99 2HG2 ILE 15 HG22 ILE 15 5.273 -5.167 10.625
100 3HG2 ILE 15 HG23 ILE 15 7.035 -5.205 10.562
101 1HD1 ILE 15 HD11 ILE 15 7.325 -8.199 10.412
102 2HD1 ILE 15 HD12 ILE 15 8.089 -8.130 8.823
103 3HD1 ILE 15 HD13 ILE 15 7.077 -9.509 9.257
104 H ASN 16 HN ASN 16 6.701 -4.117 7.262
105 HA ASN 16 HA ASN 16 6.021 -1.654 8.610
106 1HB ASN 16 HB2 ASN 16 8.395 -2.460 8.118
107 2HB ASN 16 HB1 ASN 16 8.092 -2.032 6.438
108 1HD2 ASN 16 HD21 ASN 16 9.388 -0.973 9.256
109 2HD2 ASN 16 HD22 ASN 16 9.333 0.732 8.981
110 H LYS 17 HN LYS 17 5.289 0.248 7.577
111 HA LYS 17 HA LYS 17 3.537 -0.239 5.354
112 1HB LYS 17 HB2 LYS 17 4.133 2.436 6.610
113 2HB LYS 17 HB1 LYS 17 2.700 1.963 5.709
114 1HG LYS 17 HG2 LYS 17 3.487 1.251 8.507
115 2HG LYS 17 HG1 LYS 17 1.977 1.940 7.906
116 1HD LYS 17 HD2 LYS 17 1.259 -0.126 7.032
117 2HD LYS 17 HD1 LYS 17 2.867 -0.836 7.170
118 1HE LYS 17 HE2 LYS 17 2.607 -0.487 9.690
119 2HE LYS 17 HE1 LYS 17 0.899 -0.210 9.353
120 1HZ LYS 17 HZ1 LYS 17 0.956 -2.439 8.191
121 2HZ LYS 17 HZ2 LYS 17 1.098 -2.478 9.875
122 3HZ LYS 17 HZ3 LYS 17 2.473 -2.686 8.907
123 H LYS 18 HN LYS 18 6.687 1.222 5.751
124 HA LYS 18 HA LYS 18 6.875 2.838 3.524
125 1HB LYS 18 HB2 LYS 18 8.619 2.593 5.282
126 2HB LYS 18 HB1 LYS 18 9.087 1.060 4.559
127 1HG LYS 18 HG2 LYS 18 9.732 2.182 2.513
128 2HG LYS 18 HG1 LYS 18 9.176 3.727 3.159
129 1HD LYS 18 HD2 LYS 18 11.544 3.668 3.407
130 2HD LYS 18 HD1 LYS 18 10.847 3.445 5.011
131 1HE LYS 18 HE2 LYS 18 12.656 1.898 4.756
132 2HE LYS 18 HE1 LYS 18 11.146 0.990 4.729
133 1HZ LYS 18 HZ1 LYS 18 12.323 1.874 2.188
134 2HZ LYS 18 HZ2 LYS 18 11.362 0.521 2.511
135 3HZ LYS 18 HZ3 LYS 18 12.989 0.531 2.973
136 HA PRO 19 HA PRO 19 8.416 -1.159 0.918
137 1HB PRO 19 HB2 PRO 19 6.439 -2.941 2.301
138 2HB PRO 19 HB1 PRO 19 7.970 -3.371 1.535
139 1HG PRO 19 HG2 PRO 19 7.843 -3.208 4.158
140 2HG PRO 19 HG1 PRO 19 9.232 -2.500 3.308
141 1HD PRO 19 HD2 PRO 19 6.862 -1.145 4.523
142 2HD PRO 19 HD1 PRO 19 8.558 -0.624 4.477
143 H CYS 20 HN CYS 20 5.136 -0.969 2.233
144 HA CYS 20 HA CYS 20 3.789 -1.566 -0.166
145 1HB CYS 20 HB2 CYS 20 2.767 -1.749 2.086
146 2HB CYS 20 HB1 CYS 20 2.780 0.007 2.216
147 H VAL 21 HN VAL 21 4.401 1.549 1.465
148 HA VAL 21 HA VAL 21 3.194 3.237 -0.387
149 HB VAL 21 HB VAL 21 5.691 3.777 1.248
150 1HG1 VAL 21 HG11 VAL 21 5.511 6.011 0.788
151 2HG1 VAL 21 HG12 VAL 21 3.786 5.913 0.436
152 3HG1 VAL 21 HG13 VAL 21 4.960 5.334 -0.746
153 1HG2 VAL 21 HG21 VAL 21 4.006 4.927 2.759
154 2HG2 VAL 21 HG22 VAL 21 3.989 3.164 2.756
155 3HG2 VAL 21 HG23 VAL 21 2.762 4.059 1.860
156 H ALA 22 HN ALA 22 6.461 1.870 -0.386
157 HA ALA 22 HA ALA 22 7.430 3.282 -2.632
158 1HB ALA 22 HB1 ALA 22 8.320 1.109 -0.947
159 2HB ALA 22 HB2 ALA 22 9.266 2.293 -1.849
160 3HB ALA 22 HB3 ALA 22 8.720 0.814 -2.639
161 H CYS 23 HN CYS 23 5.817 0.151 -2.291
162 HA CYS 23 HA CYS 23 5.916 -0.629 -4.998
163 1HB CYS 23 HB2 CYS 23 5.214 -1.935 -2.812
164 2HB CYS 23 HB1 CYS 23 3.604 -1.369 -3.235
165 H CYS 24 HN CYS 24 3.525 1.141 -3.110
166 HA CYS 24 HA CYS 24 1.611 1.444 -5.159
167 1HB CYS 24 HB2 CYS 24 2.120 3.094 -2.682
168 2HB CYS 24 HB1 CYS 24 0.679 3.201 -3.674
169 H LYS 25 HN LYS 25 4.301 3.494 -4.107
170 HA LYS 25 HA LYS 25 3.672 5.706 -5.722
171 1HB LYS 25 HB2 LYS 25 5.955 4.821 -4.115
172 2HB LYS 25 HB1 LYS 25 6.406 5.818 -5.493
173 1HG LYS 25 HG2 LYS 25 5.959 7.010 -3.292
174 2HG LYS 25 HG1 LYS 25 5.157 7.647 -4.729
175 1HD LYS 25 HD2 LYS 25 3.132 6.329 -4.090
176 2HD LYS 25 HD1 LYS 25 3.947 5.902 -2.585
177 1HE LYS 25 HE2 LYS 25 3.671 8.771 -3.372
178 2HE LYS 25 HE1 LYS 25 2.300 7.923 -2.662
179 1HZ LYS 25 HZ1 LYS 25 3.218 7.961 -0.647
180 2HZ LYS 25 HZ2 LYS 25 4.240 9.163 -1.269
181 3HZ LYS 25 HZ3 LYS 25 4.763 7.558 -1.222
182 H LYS 26 HN LYS 26 5.806 2.915 -6.357
183 HA LYS 26 HA LYS 26 6.554 3.825 -8.945
184 1HB LYS 26 HB2 LYS 26 7.362 1.531 -9.334
185 2HB LYS 26 HB1 LYS 26 7.916 2.169 -7.793
186 1HG LYS 26 HG2 LYS 26 6.371 0.842 -6.589
187 2HG LYS 26 HG1 LYS 26 5.519 0.384 -8.063
188 1HD LYS 26 HD2 LYS 26 7.482 -0.849 -8.824
189 2HD LYS 26 HD1 LYS 26 8.358 -0.367 -7.367
190 1HE LYS 26 HE2 LYS 26 6.893 -1.609 -5.974
191 2HE LYS 26 HE1 LYS 26 5.760 -1.879 -7.296
192 1HZ LYS 26 HZ1 LYS 26 8.031 -3.401 -6.545
193 2HZ LYS 26 HZ2 LYS 26 8.156 -2.911 -8.160
194 3HZ LYS 26 HZ3 LYS 26 6.797 -3.780 -7.642
195 H ALA 27 HN ALA 27 3.816 2.080 -7.694
196 HA ALA 27 HA ALA 27 2.871 1.187 -10.263
197 1HB ALA 27 HB1 ALA 27 0.787 1.198 -8.317
198 2HB ALA 27 HB2 ALA 27 2.272 0.614 -7.566
199 3HB ALA 27 HB3 ALA 27 1.648 -0.174 -9.015
200 H LYS 28 HN LYS 28 3.147 4.164 -9.110
201 HA LYS 28 HA LYS 28 2.311 6.180 -9.685
202 1HB LYS 28 HB2 LYS 28 2.068 4.949 -11.926
203 2HB LYS 28 HB1 LYS 28 0.360 4.832 -11.535
204 1HG LYS 28 HG2 LYS 28 0.162 7.235 -11.487
205 2HG LYS 28 HG1 LYS 28 1.901 7.412 -11.739
206 1HD LYS 28 HD2 LYS 28 -0.043 6.139 -13.668
207 2HD LYS 28 HD1 LYS 28 0.649 7.755 -13.819
208 1HE LYS 28 HE2 LYS 28 2.874 6.818 -14.022
209 2HE LYS 28 HE1 LYS 28 2.243 5.194 -13.759
210 1HZ LYS 28 HZ1 LYS 28 2.662 6.233 -16.166
211 2HZ LYS 28 HZ2 LYS 28 1.045 6.680 -15.947
212 3HZ LYS 28 HZ3 LYS 28 1.490 5.051 -15.859
213 H PHE 29 HN PHE 29 1.292 4.921 -7.413
214 HA PHE 29 HA PHE 29 -1.513 5.819 -7.377
215 1HB PHE 29 HB2 PHE 29 -0.037 3.792 -5.721
216 2HB PHE 29 HB1 PHE 29 -1.492 4.549 -5.094
217 HD1 PHE 29 HD1 PHE 29 -0.222 2.658 -8.039
218 HD2 PHE 29 HD2 PHE 29 -3.573 3.652 -5.609
219 HE1 PHE 29 HE1 PHE 29 -1.591 1.018 -9.257
220 HE2 PHE 29 HE2 PHE 29 -4.943 2.010 -6.821
221 HZ PHE 29 HZ PHE 29 -3.953 0.690 -8.648
222 H SER 30 HN SER 30 -2.187 7.224 -5.719
223 HA SER 30 HA SER 30 -0.482 9.318 -5.108
224 1HB SER 30 HB2 SER 30 -2.857 8.640 -3.389
225 2HB SER 30 HB1 SER 30 -2.265 10.229 -3.879
226 HG SER 30 HG SER 30 -3.287 10.063 -5.746
227 H ASP 31 HN ASP 31 -1.389 6.526 -3.161
228 HA ASP 31 HA ASP 31 1.042 6.443 -1.747
229 1HB ASP 31 HB2 ASP 31 -0.315 8.436 -0.654
230 2HB ASP 31 HB1 ASP 31 -1.160 7.117 0.158
231 H GLY 32 HN GLY 32 0.843 4.838 0.120
232 1HA GLY 32 HA2 GLY 32 -1.331 2.921 -0.391
233 2HA GLY 32 HA1 GLY 32 0.333 2.383 -0.562
234 H HIS 33 HN HIS 33 -1.685 1.391 1.206
235 HA HIS 33 HA HIS 33 -0.251 1.806 3.736
236 1HB HIS 33 HB2 HIS 33 -2.394 1.801 4.964
237 2HB HIS 33 HB1 HIS 33 -2.257 3.173 3.878
238 HD1 HIS 33 HD1 HIS 33 -4.254 0.105 4.515
239 HD2 HIS 33 HD2 HIS 33 -4.032 3.091 1.637
240 HE1 HIS 33 HE1 HIS 33 -6.331 -0.138 3.123
241 H CYS 34 HN CYS 34 0.289 0.057 4.671
242 HA CYS 34 HA CYS 34 -0.161 -2.501 3.539
243 1HB CYS 34 HB2 CYS 34 1.905 -1.860 4.693
244 2HB CYS 34 HB1 CYS 34 1.016 -1.666 6.196
245 H SER 35 HN SER 35 -1.793 -3.902 3.916
246 HA SER 35 HA SER 35 -3.822 -3.189 5.824
247 1HB SER 35 HB2 SER 35 -5.034 -5.173 4.952
248 2HB SER 35 HB1 SER 35 -4.536 -4.062 3.679
249 HG SER 35 HG SER 35 -2.819 -5.444 3.198
250 H LYS 36 HN LYS 36 -4.545 -4.452 7.552
251 HA LYS 36 HA LYS 36 -2.431 -5.905 8.903
252 1HB LYS 36 HB2 LYS 36 -3.597 -4.291 10.226
253 2HB LYS 36 HB1 LYS 36 -5.161 -4.923 9.737
254 1HG LYS 36 HG2 LYS 36 -4.688 -6.995 10.970
255 2HG LYS 36 HG1 LYS 36 -3.154 -6.303 11.506
256 1HD LYS 36 HD2 LYS 36 -4.348 -4.500 12.636
257 2HD LYS 36 HD1 LYS 36 -5.887 -5.148 12.066
258 1HE LYS 36 HE2 LYS 36 -5.468 -7.215 13.323
259 2HE LYS 36 HE1 LYS 36 -3.947 -6.541 13.909
260 1HZ LYS 36 HZ1 LYS 36 -6.697 -5.846 14.650
261 2HZ LYS 36 HZ2 LYS 36 -5.522 -4.631 14.707
262 3HZ LYS 36 HZ3 LYS 36 -5.332 -6.034 15.632
263 H ILE 37 HN ILE 37 -5.431 -6.521 7.284
264 HA ILE 37 HA ILE 37 -6.056 -9.029 8.375
265 HB ILE 37 HB ILE 37 -6.721 -8.032 5.609
266 1HG1 ILE 37 HG12 ILE 37 -8.263 -7.702 8.192
267 2HG1 ILE 37 HG11 ILE 37 -7.361 -6.425 7.383
268 1HG2 ILE 37 HG21 ILE 37 -7.256 -10.490 6.907
269 2HG2 ILE 37 HG22 ILE 37 -7.852 -9.928 5.345
270 3HG2 ILE 37 HG23 ILE 37 -8.775 -9.599 6.811
271 1HD1 ILE 37 HD11 ILE 37 -8.896 -6.247 5.673
272 2HD1 ILE 37 HD12 ILE 37 -9.921 -6.590 7.067
273 3HD1 ILE 37 HD13 ILE 37 -9.524 -7.876 5.926
274 H LEU 38 HN LEU 38 -5.209 -8.773 4.936
275 HA LEU 38 HA LEU 38 -3.853 -11.341 5.157
276 1HB LEU 38 HB2 LEU 38 -5.598 -10.816 3.405
277 2HB LEU 38 HB1 LEU 38 -4.410 -9.776 2.651
278 HG LEU 38 HG LEU 38 -2.917 -11.677 2.330
279 1HD1 LEU 38 HD11 LEU 38 -5.017 -13.648 2.995
280 2HD1 LEU 38 HD12 LEU 38 -4.185 -12.888 4.352
281 3HD1 LEU 38 HD13 LEU 38 -3.263 -13.766 3.131
282 1HD2 LEU 38 HD21 LEU 38 -4.521 -13.009 0.781
283 2HD2 LEU 38 HD22 LEU 38 -4.197 -11.310 0.436
284 3HD2 LEU 38 HD23 LEU 38 -5.699 -11.777 1.234
285 H ARG 39 HN ARG 39 -2.869 -8.317 5.552
286 HA ARG 39 HA ARG 39 -0.879 -7.236 5.536
287 1HB ARG 39 HB2 ARG 39 0.042 -10.065 5.153
288 2HB ARG 39 HB1 ARG 39 1.194 -8.742 5.072
289 1HG ARG 39 HG2 ARG 39 1.283 -9.567 7.268
290 2HG ARG 39 HG1 ARG 39 0.389 -8.050 7.351
291 1HD ARG 39 HD2 ARG 39 -1.697 -9.214 7.525
292 2HD ARG 39 HD1 ARG 39 -0.919 -10.762 7.196
293 HE ARG 39 HE ARG 39 0.266 -9.628 9.465
294 1HH1 ARG 39 HH11 ARG 39 -2.826 -10.955 8.491
295 2HH1 ARG 39 HH12 ARG 39 -3.205 -11.560 10.070
296 1HH2 ARG 39 HH21 ARG 39 -0.236 -10.417 11.552
297 2HH2 ARG 39 HH22 ARG 39 -1.729 -11.251 11.816
298 H ARG 40 HN ARG 40 -2.462 -7.488 3.085
299 HA ARG 40 HA ARG 40 -0.448 -7.501 0.983
300 1HB ARG 40 HB2 ARG 40 -3.433 -7.042 0.857
301 2HB ARG 40 HB1 ARG 40 -2.367 -7.047 -0.540
302 1HG ARG 40 HG2 ARG 40 -1.711 -9.404 0.196
303 2HG ARG 40 HG1 ARG 40 -3.133 -9.331 1.239
304 1HD ARG 40 HD2 ARG 40 -3.058 -9.058 -1.763
305 2HD ARG 40 HD1 ARG 40 -3.734 -10.395 -0.836
306 HE ARG 40 HE ARG 40 -5.019 -8.007 -0.088
307 1HH1 ARG 40 HH11 ARG 40 -4.808 -10.232 -2.774
308 2HH1 ARG 40 HH12 ARG 40 -6.368 -9.827 -3.407
309 1HH2 ARG 40 HH21 ARG 40 -7.082 -7.444 -0.930
310 2HH2 ARG 40 HH22 ARG 40 -7.664 -8.237 -2.355
311 H CYS 41 HN CYS 41 -0.048 -5.688 -0.356
312 HA CYS 41 HA CYS 41 -0.068 -3.205 1.104
313 1HB CYS 41 HB2 CYS 41 1.930 -3.810 -0.123
314 2HB CYS 41 HB1 CYS 41 1.012 -3.948 -1.620
315 H LEU 42 HN LEU 42 -2.065 -2.259 1.153
316 HA LEU 42 HA LEU 42 -3.682 -2.192 -1.259
317 1HB LEU 42 HB2 LEU 42 -4.075 -1.339 1.588
318 2HB LEU 42 HB1 LEU 42 -5.123 -0.671 0.349
319 HG LEU 42 HG LEU 42 -5.897 -2.932 -0.223
320 1HD1 LEU 42 HD11 LEU 42 -4.871 -4.799 0.400
321 2HD1 LEU 42 HD12 LEU 42 -4.847 -4.301 2.092
322 3HD1 LEU 42 HD13 LEU 42 -3.560 -3.785 1.002
323 1HD2 LEU 42 HD21 LEU 42 -7.054 -3.442 1.918
324 2HD2 LEU 42 HD22 LEU 42 -7.165 -1.751 1.428
325 3HD2 LEU 42 HD23 LEU 42 -6.041 -2.228 2.701
326 H CYS 43 HN CYS 43 -3.247 -0.731 -2.767
327 HA CYS 43 HA CYS 43 -2.030 1.806 -1.989
328 1HB CYS 43 HB2 CYS 43 -2.435 0.607 -4.737
329 2HB CYS 43 HB1 CYS 43 -1.547 2.079 -4.374
330 H THR 44 HN THR 44 -2.954 3.759 -2.391
331 HA THR 44 HA THR 44 -5.697 3.732 -3.457
332 HB THR 44 HB THR 44 -5.989 5.760 -1.833
333 HG1 THR 44 HG1 THR 44 -3.641 5.445 -1.194
334 1HG2 THR 44 HG21 THR 44 -5.934 3.218 -0.306
335 2HG2 THR 44 HG22 THR 44 -6.898 3.244 -1.783
336 3HG2 THR 44 HG23 THR 44 -7.230 4.400 -0.492
337 H LYS 45 HN LYS 45 -6.219 5.362 -4.846
338 HA LYS 45 HA LYS 45 -4.434 7.624 -5.155
339 1HB LYS 45 HB2 LYS 45 -3.933 7.287 -7.470
340 2HB LYS 45 HB1 LYS 45 -3.451 5.837 -6.605
341 1HG LYS 45 HG2 LYS 45 -5.371 4.649 -7.389
342 2HG LYS 45 HG1 LYS 45 -6.047 6.115 -8.099
343 1HD LYS 45 HD2 LYS 45 -3.405 4.934 -8.939
344 2HD LYS 45 HD1 LYS 45 -4.933 4.520 -9.713
345 1HE LYS 45 HE2 LYS 45 -4.083 6.200 -11.078
346 2HE LYS 45 HE1 LYS 45 -5.215 7.058 -10.039
347 1HZ LYS 45 HZ1 LYS 45 -2.422 6.914 -9.171
348 2HZ LYS 45 HZ2 LYS 45 -3.555 8.169 -8.980
349 3HZ LYS 45 HZ3 LYS 45 -2.791 7.933 -10.468
350 H GLU 46 HN GLU 46 -5.243 9.096 -6.874
351 HA GLU 46 HA GLU 46 -8.043 9.538 -6.443
352 1HB GLU 46 HB2 GLU 46 -7.680 11.609 -7.727
353 2HB GLU 46 HB1 GLU 46 -6.498 11.423 -6.440
354 1HG GLU 46 HG2 GLU 46 -5.979 10.746 -9.328
355 2HG GLU 46 HG1 GLU 46 -5.568 12.285 -8.577
356 H CYS 47 HN CYS 47 -9.678 9.482 -7.919
357 HA CYS 47 HA CYS 47 -9.247 8.868 -10.683
358 1HB CYS 47 HB2 CYS 47 -10.531 6.726 -10.623
359 2HB CYS 47 HB1 CYS 47 -8.964 6.623 -9.829
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 -6.276 11.433 -11.279
2 2H ALA 1 HT2 ALA 1 -7.367 11.662 -12.552
3 3H ALA 1 HT3 ALA 1 -6.728 10.122 -12.264
4 HA ALA 1 HA ALA 1 -8.639 11.630 -10.571
5 1HB ALA 1 HB1 ALA 1 -10.087 10.564 -11.907
6 2HB ALA 1 HB2 ALA 1 -9.642 9.119 -10.998
7 3HB ALA 1 HB3 ALA 1 -8.848 9.474 -12.532
8 H THR 2 HN THR 2 -9.537 9.245 -9.274
9 HA THR 2 HA THR 2 -7.373 8.981 -7.351
10 HB THR 2 HB THR 2 -10.103 7.703 -7.175
11 HG1 THR 2 HG1 THR 2 -9.641 10.094 -5.835
12 1HG2 THR 2 HG21 THR 2 -7.925 7.377 -5.582
13 2HG2 THR 2 HG22 THR 2 -9.591 7.227 -5.022
14 3HG2 THR 2 HG23 THR 2 -8.715 8.740 -4.790
15 H CYS 3 HN CYS 3 -5.982 7.329 -7.387
16 HA CYS 3 HA CYS 3 -6.853 4.809 -8.632
17 1HB CYS 3 HB2 CYS 3 -4.157 6.149 -8.949
18 2HB CYS 3 HB1 CYS 3 -4.598 4.573 -9.603
19 H LYS 4 HN LYS 4 -6.367 2.980 -7.587
20 HA LYS 4 HA LYS 4 -4.419 3.013 -5.387
21 1HB LYS 4 HB2 LYS 4 -6.644 3.379 -4.361
22 2HB LYS 4 HB1 LYS 4 -7.233 1.915 -5.141
23 1HG LYS 4 HG2 LYS 4 -5.087 0.916 -3.877
24 2HG LYS 4 HG1 LYS 4 -5.490 2.239 -2.782
25 1HD LYS 4 HD2 LYS 4 -6.615 0.280 -2.020
26 2HD LYS 4 HD1 LYS 4 -7.824 1.365 -2.707
27 1HE LYS 4 HE2 LYS 4 -8.261 -0.915 -3.414
28 2HE LYS 4 HE1 LYS 4 -7.782 0.064 -4.798
29 1HZ LYS 4 HZ1 LYS 4 -5.430 -0.887 -4.174
30 2HZ LYS 4 HZ2 LYS 4 -6.499 -1.780 -5.124
31 3HZ LYS 4 HZ3 LYS 4 -6.339 -2.134 -3.476
32 H ALA 5 HN ALA 5 -3.318 1.184 -5.168
33 HA ALA 5 HA ALA 5 -4.201 -1.337 -6.198
34 1HB ALA 5 HB1 ALA 5 -1.904 -1.336 -7.609
35 2HB ALA 5 HB2 ALA 5 -2.379 0.352 -7.805
36 3HB ALA 5 HB3 ALA 5 -3.471 -0.936 -8.312
37 H GLU 6 HN GLU 6 -3.246 -2.900 -5.015
38 HA GLU 6 HA GLU 6 -1.562 -2.177 -2.877
39 1HB GLU 6 HB2 GLU 6 -2.151 -4.933 -3.999
40 2HB GLU 6 HB1 GLU 6 -1.332 -4.618 -2.488
41 1HG GLU 6 HG2 GLU 6 -3.612 -5.196 -2.041
42 2HG GLU 6 HG1 GLU 6 -3.337 -3.512 -1.619
43 H CYS 7 HN CYS 7 0.585 -2.305 -2.627
44 HA CYS 7 HA CYS 7 2.277 -1.843 -4.733
45 1HB CYS 7 HB2 CYS 7 2.807 -1.514 -2.298
46 2HB CYS 7 HB1 CYS 7 3.116 -3.243 -2.186
47 HA PRO 8 HA PRO 8 2.326 -5.689 -6.977
48 1HB PRO 8 HB2 PRO 8 4.710 -5.085 -8.309
49 2HB PRO 8 HB1 PRO 8 3.083 -4.683 -8.863
50 1HG PRO 8 HG2 PRO 8 5.074 -2.985 -7.431
51 2HG PRO 8 HG1 PRO 8 3.922 -2.538 -8.703
52 1HD PRO 8 HD2 PRO 8 3.477 -1.896 -6.146
53 2HD PRO 8 HD1 PRO 8 2.144 -2.392 -7.211
54 H THR 9 HN THR 9 5.143 -4.421 -5.315
55 HA THR 9 HA THR 9 6.244 -7.114 -5.049
56 HB THR 9 HB THR 9 8.111 -5.605 -3.867
57 HG1 THR 9 HG1 THR 9 7.081 -3.860 -5.868
58 1HG2 THR 9 HG21 THR 9 8.500 -7.059 -5.776
59 2HG2 THR 9 HG22 THR 9 9.255 -5.489 -6.048
60 3HG2 THR 9 HG23 THR 9 7.736 -5.887 -6.850
61 H TRP 10 HN TRP 10 3.944 -6.813 -3.696
62 HA TRP 10 HA TRP 10 4.775 -7.179 -0.958
63 1HB TRP 10 HB2 TRP 10 4.339 -4.699 -1.186
64 2HB TRP 10 HB1 TRP 10 2.669 -5.095 -1.575
65 HD1 TRP 10 HD1 TRP 10 1.340 -6.534 0.462
66 HE1 TRP 10 HE1 TRP 10 1.497 -6.153 3.015
67 HE3 TRP 10 HE3 TRP 10 5.729 -3.923 0.618
68 HZ2 TRP 10 HZ2 TRP 10 3.265 -4.878 4.845
69 HZ3 TRP 10 HZ3 TRP 10 6.576 -3.154 2.792
70 HH2 TRP 10 HH2 TRP 10 5.369 -3.625 4.858
71 H ASP 11 HN ASP 11 3.561 -8.713 -0.046
72 HA ASP 11 HA ASP 11 0.846 -9.215 -0.967
73 1HB ASP 11 HB2 ASP 11 1.302 -11.633 -1.295
74 2HB ASP 11 HB1 ASP 11 2.164 -10.624 -2.451
75 H SER 12 HN SER 12 3.337 -9.426 1.337
76 HA SER 12 HA SER 12 2.042 -11.184 3.162
77 1HB SER 12 HB2 SER 12 4.339 -9.288 3.657
78 2HB SER 12 HB1 SER 12 3.904 -10.699 4.622
79 HG SER 12 HG SER 12 4.200 -11.405 2.028
80 H VAL 13 HN VAL 13 2.050 -10.326 5.555
81 HA VAL 13 HA VAL 13 -0.094 -8.425 5.706
82 HB VAL 13 HB VAL 13 1.412 -9.881 7.890
83 1HG1 VAL 13 HG11 VAL 13 -0.228 -7.680 8.181
84 2HG1 VAL 13 HG12 VAL 13 0.181 -8.851 9.435
85 3HG1 VAL 13 HG13 VAL 13 -1.300 -9.044 8.498
86 1HG2 VAL 13 HG21 VAL 13 0.349 -11.638 6.973
87 2HG2 VAL 13 HG22 VAL 13 -0.811 -10.624 6.116
88 3HG2 VAL 13 HG23 VAL 13 -1.053 -10.990 7.824
89 H CYS 14 HN CYS 14 0.003 -6.351 6.269
90 HA CYS 14 HA CYS 14 2.440 -4.930 6.320
91 1HB CYS 14 HB2 CYS 14 -0.325 -4.331 6.187
92 2HB CYS 14 HB1 CYS 14 0.326 -3.430 7.549
93 H ILE 15 HN ILE 15 3.726 -4.341 7.948
94 HA ILE 15 HA ILE 15 2.994 -5.154 10.666
95 HB ILE 15 HB ILE 15 5.696 -4.267 9.625
96 1HG1 ILE 15 HG12 ILE 15 4.672 -7.075 10.111
97 2HG1 ILE 15 HG11 ILE 15 4.884 -6.341 8.525
98 1HG2 ILE 15 HG21 ILE 15 4.849 -4.388 12.211
99 2HG2 ILE 15 HG22 ILE 15 6.525 -4.566 11.690
100 3HG2 ILE 15 HG23 ILE 15 5.538 -5.997 11.986
101 1HD1 ILE 15 HD11 ILE 15 6.707 -7.881 9.201
102 2HD1 ILE 15 HD12 ILE 15 7.116 -6.755 10.496
103 3HD1 ILE 15 HD13 ILE 15 7.251 -6.249 8.812
104 H ASN 16 HN ASN 16 3.658 -2.414 8.666
105 HA ASN 16 HA ASN 16 2.574 -0.576 10.539
106 1HB ASN 16 HB2 ASN 16 4.918 -0.919 11.435
107 2HB ASN 16 HB1 ASN 16 5.524 -0.239 9.931
108 1HD2 ASN 16 HD21 ASN 16 3.927 0.396 12.929
109 2HD2 ASN 16 HD22 ASN 16 4.013 2.122 12.856
110 H LYS 17 HN LYS 17 2.522 1.647 9.575
111 HA LYS 17 HA LYS 17 1.814 1.516 6.860
112 1HB LYS 17 HB2 LYS 17 0.969 3.178 8.578
113 2HB LYS 17 HB1 LYS 17 2.476 4.055 8.349
114 1HG LYS 17 HG2 LYS 17 1.926 4.272 5.938
115 2HG LYS 17 HG1 LYS 17 0.367 3.515 6.266
116 1HD LYS 17 HD2 LYS 17 -0.071 5.348 7.921
117 2HD LYS 17 HD1 LYS 17 1.398 6.135 7.345
118 1HE LYS 17 HE2 LYS 17 -1.046 5.477 5.700
119 2HE LYS 17 HE1 LYS 17 -0.564 7.078 6.257
120 1HZ LYS 17 HZ1 LYS 17 1.541 6.698 4.937
121 2HZ LYS 17 HZ2 LYS 17 0.130 6.932 4.031
122 3HZ LYS 17 HZ3 LYS 17 0.762 5.373 4.230
123 H LYS 18 HN LYS 18 4.788 2.596 8.442
124 HA LYS 18 HA LYS 18 6.027 3.907 6.356
125 1HB LYS 18 HB2 LYS 18 7.249 2.187 8.508
126 2HB LYS 18 HB1 LYS 18 8.205 3.144 7.385
127 1HG LYS 18 HG2 LYS 18 7.028 5.172 8.181
128 2HG LYS 18 HG1 LYS 18 6.196 4.176 9.376
129 1HD LYS 18 HD2 LYS 18 9.194 4.422 9.164
130 2HD LYS 18 HD1 LYS 18 8.197 5.382 10.257
131 1HE LYS 18 HE2 LYS 18 8.345 2.369 10.247
132 2HE LYS 18 HE1 LYS 18 9.234 3.419 11.350
133 1HZ LYS 18 HZ1 LYS 18 6.309 2.986 11.189
134 2HZ LYS 18 HZ2 LYS 18 6.972 4.323 11.991
135 3HZ LYS 18 HZ3 LYS 18 7.338 2.757 12.516
136 HA PRO 19 HA PRO 19 8.006 -0.430 4.849
137 1HB PRO 19 HB2 PRO 19 5.553 -1.959 5.657
138 2HB PRO 19 HB1 PRO 19 7.213 -2.538 5.491
139 1HG PRO 19 HG2 PRO 19 6.250 -2.055 7.892
140 2HG PRO 19 HG1 PRO 19 7.890 -1.510 7.487
141 1HD PRO 19 HD2 PRO 19 5.366 0.073 7.709
142 2HD PRO 19 HD1 PRO 19 7.022 0.521 8.164
143 H CYS 20 HN CYS 20 4.488 0.001 4.940
144 HA CYS 20 HA CYS 20 3.978 -0.811 2.294
145 1HB CYS 20 HB2 CYS 20 2.242 -0.712 4.038
146 2HB CYS 20 HB1 CYS 20 2.373 1.043 4.071
147 H VAL 21 HN VAL 21 4.282 2.443 3.728
148 HA VAL 21 HA VAL 21 3.906 3.931 1.398
149 HB VAL 21 HB VAL 21 5.708 4.612 3.737
150 1HG1 VAL 21 HG11 VAL 21 4.368 6.586 1.920
151 2HG1 VAL 21 HG12 VAL 21 5.956 5.922 1.539
152 3HG1 VAL 21 HG13 VAL 21 5.717 6.836 3.028
153 1HG2 VAL 21 HG21 VAL 21 3.898 5.493 4.843
154 2HG2 VAL 21 HG22 VAL 21 3.161 4.101 4.051
155 3HG2 VAL 21 HG23 VAL 21 2.964 5.714 3.364
156 H ALA 22 HN ALA 22 6.899 2.577 2.765
157 HA ALA 22 HA ALA 22 8.688 3.630 0.876
158 1HB ALA 22 HB1 ALA 22 10.268 2.270 1.818
159 2HB ALA 22 HB2 ALA 22 9.166 0.899 1.954
160 3HB ALA 22 HB3 ALA 22 9.053 2.239 3.096
161 H CYS 23 HN CYS 23 6.818 0.631 0.893
162 HA CYS 23 HA CYS 23 7.798 -0.478 -1.496
163 1HB CYS 23 HB2 CYS 23 6.231 -1.487 0.341
164 2HB CYS 23 HB1 CYS 23 4.934 -0.791 -0.621
165 H CYS 24 HN CYS 24 5.049 1.617 -0.807
166 HA CYS 24 HA CYS 24 4.126 1.881 -3.462
167 1HB CYS 24 HB2 CYS 24 3.757 3.683 -1.066
168 2HB CYS 24 HB1 CYS 24 2.834 3.793 -2.555
169 H LYS 25 HN LYS 25 6.561 3.608 -1.606
170 HA LYS 25 HA LYS 25 6.780 5.883 -3.248
171 1HB LYS 25 HB2 LYS 25 8.818 4.499 -1.502
172 2HB LYS 25 HB1 LYS 25 9.159 5.990 -2.361
173 1HG LYS 25 HG2 LYS 25 7.025 5.624 -0.266
174 2HG LYS 25 HG1 LYS 25 8.598 6.378 -0.015
175 1HD LYS 25 HD2 LYS 25 7.308 8.239 -0.353
176 2HD LYS 25 HD1 LYS 25 7.808 7.907 -2.012
177 1HE LYS 25 HE2 LYS 25 5.693 6.649 -2.338
178 2HE LYS 25 HE1 LYS 25 5.193 7.141 -0.720
179 1HZ LYS 25 HZ1 LYS 25 4.434 9.020 -1.570
180 2HZ LYS 25 HZ2 LYS 25 4.928 8.547 -3.120
181 3HZ LYS 25 HZ3 LYS 25 5.983 9.425 -2.128
182 H LYS 26 HN LYS 26 8.639 2.839 -3.264
183 HA LYS 26 HA LYS 26 10.079 3.535 -5.615
184 1HB LYS 26 HB2 LYS 26 11.003 1.357 -5.567
185 2HB LYS 26 HB1 LYS 26 10.818 1.847 -3.892
186 1HG LYS 26 HG2 LYS 26 8.738 0.507 -3.780
187 2HG LYS 26 HG1 LYS 26 9.059 -0.055 -5.423
188 1HD LYS 26 HD2 LYS 26 11.328 -0.814 -4.542
189 2HD LYS 26 HD1 LYS 26 10.663 -0.556 -2.929
190 1HE LYS 26 HE2 LYS 26 9.607 -2.427 -5.044
191 2HE LYS 26 HE1 LYS 26 10.430 -2.879 -3.553
192 1HZ LYS 26 HZ1 LYS 26 8.599 -2.436 -2.301
193 2HZ LYS 26 HZ2 LYS 26 7.832 -2.899 -3.737
194 3HZ LYS 26 HZ3 LYS 26 7.999 -1.257 -3.357
195 H ALA 27 HN ALA 27 6.975 2.137 -5.030
196 HA ALA 27 HA ALA 27 6.635 1.047 -7.673
197 1HB ALA 27 HB1 ALA 27 4.107 1.334 -6.597
198 2HB ALA 27 HB2 ALA 27 5.137 1.088 -5.187
199 3HB ALA 27 HB3 ALA 27 5.131 -0.098 -6.492
200 H LYS 28 HN LYS 28 6.796 4.116 -6.540
201 HA LYS 28 HA LYS 28 6.368 6.151 -7.408
202 1HB LYS 28 HB2 LYS 28 6.922 4.902 -9.563
203 2HB LYS 28 HB1 LYS 28 5.189 4.816 -9.837
204 1HG LYS 28 HG2 LYS 28 5.013 7.183 -9.986
205 2HG LYS 28 HG1 LYS 28 6.673 7.399 -9.426
206 1HD LYS 28 HD2 LYS 28 5.852 6.052 -12.001
207 2HD LYS 28 HD1 LYS 28 6.473 7.698 -11.860
208 1HE LYS 28 HE2 LYS 28 8.576 6.842 -10.972
209 2HE LYS 28 HE1 LYS 28 7.955 5.195 -11.057
210 1HZ LYS 28 HZ1 LYS 28 8.294 5.090 -13.262
211 2HZ LYS 28 HZ2 LYS 28 9.411 6.326 -12.974
212 3HZ LYS 28 HZ3 LYS 28 7.861 6.704 -13.534
213 H PHE 29 HN PHE 29 4.685 5.568 -5.571
214 HA PHE 29 HA PHE 29 2.051 6.429 -6.574
215 1HB PHE 29 HB2 PHE 29 2.692 4.388 -4.452
216 2HB PHE 29 HB1 PHE 29 1.161 5.252 -4.434
217 HD1 PHE 29 HD1 PHE 29 3.290 3.110 -6.607
218 HD2 PHE 29 HD2 PHE 29 -0.631 4.474 -5.679
219 HE1 PHE 29 HE1 PHE 29 2.350 1.475 -8.186
220 HE2 PHE 29 HE2 PHE 29 -1.577 2.841 -7.254
221 HZ PHE 29 HZ PHE 29 -0.086 1.337 -8.510
222 H SER 30 HN SER 30 0.870 7.834 -5.116
223 HA SER 30 HA SER 30 2.473 9.818 -3.958
224 1HB SER 30 HB2 SER 30 -0.473 9.321 -3.491
225 2HB SER 30 HB1 SER 30 0.387 10.839 -3.230
226 HG SER 30 HG SER 30 -0.199 11.206 -5.225
227 H ASP 31 HN ASP 31 0.411 7.366 -2.409
228 HA ASP 31 HA ASP 31 2.225 7.154 -0.192
229 1HB ASP 31 HB2 ASP 31 1.007 9.156 0.524
230 2HB ASP 31 HB1 ASP 31 -0.527 8.315 0.310
231 H GLY 32 HN GLY 32 1.798 5.359 1.125
232 1HA GLY 32 HA2 GLY 32 -0.221 3.522 -0.007
233 2HA GLY 32 HA1 GLY 32 1.324 3.002 0.656
234 H HIS 33 HN HIS 33 -1.506 2.351 1.326
235 HA HIS 33 HA HIS 33 -1.235 2.804 4.208
236 1HB HIS 33 HB2 HIS 33 -3.655 3.216 4.411
237 2HB HIS 33 HB1 HIS 33 -2.854 4.444 3.449
238 HD1 HIS 33 HD1 HIS 33 -5.402 1.743 3.259
239 HD2 HIS 33 HD2 HIS 33 -3.549 4.417 0.679
240 HE1 HIS 33 HE1 HIS 33 -6.737 1.670 1.132
241 H CYS 34 HN CYS 34 -1.465 1.052 5.351
242 HA CYS 34 HA CYS 34 -1.846 -1.475 4.110
243 1HB CYS 34 HB2 CYS 34 -1.856 -0.835 7.066
244 2HB CYS 34 HB1 CYS 34 -1.534 -2.399 6.325
245 H SER 35 HN SER 35 -3.665 -2.619 3.818
246 HA SER 35 HA SER 35 -6.181 -1.456 4.521
247 1HB SER 35 HB2 SER 35 -7.116 -3.562 3.478
248 2HB SER 35 HB1 SER 35 -6.076 -2.600 2.428
249 HG SER 35 HG SER 35 -4.535 -4.091 2.539
250 H LYS 36 HN LYS 36 -7.900 -2.723 5.635
251 HA LYS 36 HA LYS 36 -6.832 -3.806 8.109
252 1HB LYS 36 HB2 LYS 36 -8.582 -2.152 8.315
253 2HB LYS 36 HB1 LYS 36 -9.642 -3.079 7.262
254 1HG LYS 36 HG2 LYS 36 -9.783 -4.847 8.912
255 2HG LYS 36 HG1 LYS 36 -8.666 -3.977 9.965
256 1HD LYS 36 HD2 LYS 36 -10.901 -3.601 10.756
257 2HD LYS 36 HD1 LYS 36 -10.305 -2.100 10.047
258 1HE LYS 36 HE2 LYS 36 -11.540 -2.561 7.999
259 2HE LYS 36 HE1 LYS 36 -12.100 -4.094 8.666
260 1HZ LYS 36 HZ1 LYS 36 -12.648 -1.642 10.174
261 2HZ LYS 36 HZ2 LYS 36 -13.558 -3.063 10.059
262 3HZ LYS 36 HZ3 LYS 36 -13.569 -1.948 8.788
263 H ILE 37 HN ILE 37 -8.688 -4.828 5.330
264 HA ILE 37 HA ILE 37 -9.759 -7.219 6.157
265 HB ILE 37 HB ILE 37 -8.598 -6.611 3.445
266 1HG1 ILE 37 HG12 ILE 37 -11.421 -6.249 4.468
267 2HG1 ILE 37 HG11 ILE 37 -10.256 -4.947 4.250
268 1HG2 ILE 37 HG21 ILE 37 -10.409 -8.776 4.445
269 2HG2 ILE 37 HG22 ILE 37 -8.984 -8.904 3.413
270 3HG2 ILE 37 HG23 ILE 37 -10.485 -8.240 2.766
271 1HD1 ILE 37 HD11 ILE 37 -10.969 -4.716 2.173
272 2HD1 ILE 37 HD12 ILE 37 -12.036 -6.109 2.352
273 3HD1 ILE 37 HD13 ILE 37 -10.373 -6.336 1.810
274 H LEU 38 HN LEU 38 -6.597 -6.887 4.482
275 HA LEU 38 HA LEU 38 -5.712 -9.285 5.933
276 1HB LEU 38 HB2 LEU 38 -6.529 -9.795 3.581
277 2HB LEU 38 HB1 LEU 38 -5.163 -8.868 3.005
278 HG LEU 38 HG LEU 38 -3.658 -10.407 4.243
279 1HD1 LEU 38 HD11 LEU 38 -4.562 -11.711 5.798
280 2HD1 LEU 38 HD12 LEU 38 -5.205 -12.698 4.485
281 3HD1 LEU 38 HD13 LEU 38 -6.193 -11.419 5.192
282 1HD2 LEU 38 HD21 LEU 38 -4.768 -10.676 1.770
283 2HD2 LEU 38 HD22 LEU 38 -5.112 -12.249 2.488
284 3HD2 LEU 38 HD23 LEU 38 -3.450 -11.666 2.396
285 H ARG 39 HN ARG 39 -5.230 -6.326 5.885
286 HA ARG 39 HA ARG 39 -3.558 -4.836 6.162
287 1HB ARG 39 HB2 ARG 39 -2.486 -7.389 7.167
288 2HB ARG 39 HB1 ARG 39 -1.289 -6.146 6.835
289 1HG ARG 39 HG2 ARG 39 -1.978 -6.057 9.145
290 2HG ARG 39 HG1 ARG 39 -2.496 -4.600 8.298
291 1HD ARG 39 HD2 ARG 39 -4.750 -5.570 8.057
292 2HD ARG 39 HD1 ARG 39 -4.220 -6.989 8.960
293 HE ARG 39 HE ARG 39 -4.502 -5.812 10.885
294 1HH1 ARG 39 HH11 ARG 39 -4.389 -3.526 8.230
295 2HH1 ARG 39 HH12 ARG 39 -4.617 -2.141 9.247
296 1HH2 ARG 39 HH21 ARG 39 -4.827 -3.986 12.224
297 2HH2 ARG 39 HH22 ARG 39 -4.874 -2.404 11.522
298 H ARG 40 HN ARG 40 -3.927 -5.959 3.465
299 HA ARG 40 HA ARG 40 -1.329 -6.201 2.288
300 1HB ARG 40 HB2 ARG 40 -4.058 -5.689 1.102
301 2HB ARG 40 HB1 ARG 40 -2.600 -5.780 0.123
302 1HG ARG 40 HG2 ARG 40 -2.217 -8.065 1.051
303 2HG ARG 40 HG1 ARG 40 -3.806 -7.955 1.810
304 1HD ARG 40 HD2 ARG 40 -4.867 -7.721 -0.344
305 2HD ARG 40 HD1 ARG 40 -3.299 -7.664 -1.149
306 HE ARG 40 HE ARG 40 -4.729 -9.989 -0.364
307 1HH1 ARG 40 HH11 ARG 40 -1.498 -8.714 -0.807
308 2HH1 ARG 40 HH12 ARG 40 -0.747 -10.274 -0.877
309 1HH2 ARG 40 HH21 ARG 40 -3.735 -12.060 -0.488
310 2HH2 ARG 40 HH22 ARG 40 -2.020 -12.173 -0.708
311 H CYS 41 HN CYS 41 -0.140 -4.645 1.196
312 HA CYS 41 HA CYS 41 -0.469 -1.970 2.151
313 1HB CYS 41 HB2 CYS 41 1.759 -2.894 1.917
314 2HB CYS 41 HB1 CYS 41 1.498 -3.172 0.198
315 H LEU 42 HN LEU 42 -2.275 -1.008 1.292
316 HA LEU 42 HA LEU 42 -2.741 -1.074 -1.573
317 1HB LEU 42 HB2 LEU 42 -4.167 0.068 0.802
318 2HB LEU 42 HB1 LEU 42 -4.546 0.700 -0.789
319 HG LEU 42 HG LEU 42 -5.254 -1.540 -1.512
320 1HD1 LEU 42 HD11 LEU 42 -4.710 -3.398 -0.437
321 2HD1 LEU 42 HD12 LEU 42 -5.428 -2.799 1.059
322 3HD1 LEU 42 HD13 LEU 42 -3.749 -2.420 0.673
323 1HD2 LEU 42 HD21 LEU 42 -6.595 0.162 0.173
324 2HD2 LEU 42 HD22 LEU 42 -6.780 -1.404 0.963
325 3HD2 LEU 42 HD23 LEU 42 -7.305 -1.191 -0.708
326 H CYS 43 HN CYS 43 -1.629 0.250 -2.880
327 HA CYS 43 HA CYS 43 -0.524 2.712 -1.779
328 1HB CYS 43 HB2 CYS 43 -0.105 1.405 -4.475
329 2HB CYS 43 HB1 CYS 43 0.726 2.842 -3.901
330 H THR 44 HN THR 44 -1.270 4.688 -2.292
331 HA THR 44 HA THR 44 -3.401 4.820 -4.317
332 HB THR 44 HB THR 44 -4.128 6.848 -2.744
333 HG1 THR 44 HG1 THR 44 -2.311 6.110 -1.265
334 1HG2 THR 44 HG21 THR 44 -5.169 4.429 -3.399
335 2HG2 THR 44 HG22 THR 44 -5.962 5.602 -2.347
336 3HG2 THR 44 HG23 THR 44 -5.035 4.275 -1.647
337 H LYS 45 HN LYS 45 -3.445 6.489 -5.672
338 HA LYS 45 HA LYS 45 -1.913 8.871 -5.330
339 1HB LYS 45 HB2 LYS 45 -0.437 8.626 -7.250
340 2HB LYS 45 HB1 LYS 45 -0.107 7.365 -6.076
341 1HG LYS 45 HG2 LYS 45 -1.314 5.753 -7.434
342 2HG LYS 45 HG1 LYS 45 -1.718 7.019 -8.598
343 1HD LYS 45 HD2 LYS 45 0.638 7.365 -9.074
344 2HD LYS 45 HD1 LYS 45 1.079 6.164 -7.860
345 1HE LYS 45 HE2 LYS 45 -0.206 4.479 -9.190
346 2HE LYS 45 HE1 LYS 45 -0.389 5.702 -10.448
347 1HZ LYS 45 HZ1 LYS 45 2.327 5.404 -9.578
348 2HZ LYS 45 HZ2 LYS 45 1.685 5.368 -11.145
349 3HZ LYS 45 HZ3 LYS 45 1.690 3.964 -10.204
350 H GLU 46 HN GLU 46 -1.815 9.420 -8.204
351 HA GLU 46 HA GLU 46 -4.666 9.258 -8.842
352 1HB GLU 46 HB2 GLU 46 -4.917 11.507 -9.174
353 2HB GLU 46 HB1 GLU 46 -3.710 11.546 -7.902
354 1HG GLU 46 HG2 GLU 46 -2.616 12.934 -9.251
355 2HG GLU 46 HG1 GLU 46 -2.164 11.484 -10.151
356 H CYS 47 HN CYS 47 -5.153 9.017 -11.007
357 HA CYS 47 HA CYS 47 -3.253 9.276 -13.085
358 1HB CYS 47 HB2 CYS 47 -2.821 7.007 -13.646
359 2HB CYS 47 HB1 CYS 47 -2.443 7.178 -11.941
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 -6.500 11.677 -10.497
2 2H ALA 1 HT2 ALA 1 -7.754 11.586 -11.627
3 3H ALA 1 HT3 ALA 1 -6.393 10.586 -11.787
4 HA ALA 1 HA ALA 1 -8.554 10.445 -9.799
5 1HB ALA 1 HB1 ALA 1 -7.507 8.715 -11.980
6 2HB ALA 1 HB2 ALA 1 -9.175 9.097 -11.551
7 3HB ALA 1 HB3 ALA 1 -8.253 7.953 -10.575
8 H THR 2 HN THR 2 -7.857 7.852 -8.942
9 HA THR 2 HA THR 2 -5.222 8.116 -7.721
10 HB THR 2 HB THR 2 -7.676 7.620 -6.023
11 HG1 THR 2 HG1 THR 2 -6.179 10.003 -6.462
12 1HG2 THR 2 HG21 THR 2 -5.032 7.026 -5.543
13 2HG2 THR 2 HG22 THR 2 -6.274 7.248 -4.312
14 3HG2 THR 2 HG23 THR 2 -5.229 8.596 -4.762
15 H CYS 3 HN CYS 3 -4.284 6.266 -8.177
16 HA CYS 3 HA CYS 3 -5.886 3.852 -8.464
17 1HB CYS 3 HB2 CYS 3 -3.087 4.604 -9.299
18 2HB CYS 3 HB1 CYS 3 -3.666 2.935 -9.370
19 H LYS 4 HN LYS 4 -5.660 2.063 -7.224
20 HA LYS 4 HA LYS 4 -3.721 2.157 -5.011
21 1HB LYS 4 HB2 LYS 4 -6.057 2.858 -4.336
22 2HB LYS 4 HB1 LYS 4 -6.589 1.236 -4.748
23 1HG LYS 4 HG2 LYS 4 -4.902 0.388 -3.075
24 2HG LYS 4 HG1 LYS 4 -4.702 2.066 -2.564
25 1HD LYS 4 HD2 LYS 4 -7.218 0.405 -2.464
26 2HD LYS 4 HD1 LYS 4 -6.292 1.040 -1.102
27 1HE LYS 4 HE2 LYS 4 -6.894 3.293 -1.666
28 2HE LYS 4 HE1 LYS 4 -7.653 2.765 -3.167
29 1HZ LYS 4 HZ1 LYS 4 -8.580 2.016 -0.446
30 2HZ LYS 4 HZ2 LYS 4 -9.332 1.615 -1.906
31 3HZ LYS 4 HZ3 LYS 4 -9.270 3.229 -1.404
32 H ALA 5 HN ALA 5 -2.663 0.317 -4.696
33 HA ALA 5 HA ALA 5 -3.707 -2.279 -5.237
34 1HB ALA 5 HB1 ALA 5 -2.274 -0.927 -7.373
35 2HB ALA 5 HB2 ALA 5 -3.169 -2.446 -7.404
36 3HB ALA 5 HB3 ALA 5 -1.482 -2.427 -6.890
37 H GLU 6 HN GLU 6 -2.403 -3.874 -4.279
38 HA GLU 6 HA GLU 6 -0.664 -2.978 -2.249
39 1HB GLU 6 HB2 GLU 6 -0.618 -5.798 -3.295
40 2HB GLU 6 HB1 GLU 6 -0.345 -5.229 -1.662
41 1HG GLU 6 HG2 GLU 6 -2.408 -6.111 -1.416
42 2HG GLU 6 HG1 GLU 6 -2.850 -4.463 -1.856
43 H CYS 7 HN CYS 7 1.561 -3.128 -2.054
44 HA CYS 7 HA CYS 7 3.049 -2.496 -4.343
45 1HB CYS 7 HB2 CYS 7 3.704 -1.938 -1.977
46 2HB CYS 7 HB1 CYS 7 4.185 -3.621 -1.775
47 HA PRO 8 HA PRO 8 3.434 -6.446 -6.318
48 1HB PRO 8 HB2 PRO 8 5.795 -5.773 -7.669
49 2HB PRO 8 HB1 PRO 8 4.154 -5.527 -8.268
50 1HG PRO 8 HG2 PRO 8 6.008 -3.600 -6.959
51 2HG PRO 8 HG1 PRO 8 4.824 -3.323 -8.249
52 1HD PRO 8 HD2 PRO 8 4.356 -2.546 -5.727
53 2HD PRO 8 HD1 PRO 8 3.053 -3.172 -6.759
54 H THR 9 HN THR 9 6.243 -4.900 -4.816
55 HA THR 9 HA THR 9 7.436 -7.527 -4.350
56 HB THR 9 HB THR 9 9.394 -6.163 -3.486
57 HG1 THR 9 HG1 THR 9 7.893 -4.211 -3.319
58 1HG2 THR 9 HG21 THR 9 8.527 -5.720 -6.345
59 2HG2 THR 9 HG22 THR 9 9.392 -7.128 -5.727
60 3HG2 THR 9 HG23 THR 9 10.172 -5.546 -5.733
61 H TRP 10 HN TRP 10 5.117 -7.106 -2.880
62 HA TRP 10 HA TRP 10 6.226 -7.108 -0.181
63 1HB TRP 10 HB2 TRP 10 5.394 -4.781 -0.664
64 2HB TRP 10 HB1 TRP 10 3.782 -5.463 -0.858
65 HD1 TRP 10 HD1 TRP 10 2.676 -6.591 1.407
66 HE1 TRP 10 HE1 TRP 10 3.025 -5.969 3.891
67 HE3 TRP 10 HE3 TRP 10 6.979 -3.877 0.960
68 HZ2 TRP 10 HZ2 TRP 10 4.887 -4.483 5.440
69 HZ3 TRP 10 HZ3 TRP 10 7.959 -2.874 2.976
70 HH2 TRP 10 HH2 TRP 10 6.937 -3.179 5.165
71 H ASP 11 HN ASP 11 5.619 -8.945 0.673
72 HA ASP 11 HA ASP 11 2.837 -9.701 0.680
73 1HB ASP 11 HB2 ASP 11 3.998 -10.812 -1.369
74 2HB ASP 11 HB1 ASP 11 4.767 -11.846 -0.166
75 H SER 12 HN SER 12 3.580 -8.860 2.798
76 HA SER 12 HA SER 12 4.102 -11.059 4.582
77 1HB SER 12 HB2 SER 12 5.988 -8.685 4.485
78 2HB SER 12 HB1 SER 12 6.007 -9.955 5.708
79 HG SER 12 HG SER 12 6.077 -11.084 3.282
80 H VAL 13 HN VAL 13 4.009 -10.226 6.908
81 HA VAL 13 HA VAL 13 1.675 -8.575 7.142
82 HB VAL 13 HB VAL 13 3.420 -9.756 9.314
83 1HG1 VAL 13 HG11 VAL 13 0.563 -9.110 9.762
84 2HG1 VAL 13 HG12 VAL 13 1.700 -7.763 9.707
85 3HG1 VAL 13 HG13 VAL 13 1.926 -9.062 10.879
86 1HG2 VAL 13 HG21 VAL 13 2.581 -11.596 8.151
87 2HG2 VAL 13 HG22 VAL 13 1.036 -10.808 7.830
88 3HG2 VAL 13 HG23 VAL 13 1.418 -11.366 9.459
89 H CYS 14 HN CYS 14 1.603 -6.478 7.468
90 HA CYS 14 HA CYS 14 3.982 -4.911 7.622
91 1HB CYS 14 HB2 CYS 14 2.359 -3.827 6.405
92 2HB CYS 14 HB1 CYS 14 1.055 -4.368 7.459
93 H ILE 15 HN ILE 15 4.922 -3.970 9.300
94 HA ILE 15 HA ILE 15 3.796 -4.424 11.970
95 HB ILE 15 HB ILE 15 6.607 -3.608 11.195
96 1HG1 ILE 15 HG12 ILE 15 6.112 -5.867 10.421
97 2HG1 ILE 15 HG11 ILE 15 7.222 -5.929 11.785
98 1HG2 ILE 15 HG21 ILE 15 7.134 -3.434 13.366
99 2HG2 ILE 15 HG22 ILE 15 6.151 -4.828 13.816
100 3HG2 ILE 15 HG23 ILE 15 5.397 -3.247 13.610
101 1HD1 ILE 15 HD11 ILE 15 5.849 -7.302 12.837
102 2HD1 ILE 15 HD12 ILE 15 4.741 -7.241 11.466
103 3HD1 ILE 15 HD13 ILE 15 4.572 -6.086 12.788
104 H ASN 16 HN ASN 16 5.046 -1.976 9.802
105 HA ASN 16 HA ASN 16 3.613 0.106 11.245
106 1HB ASN 16 HB2 ASN 16 5.982 0.084 12.118
107 2HB ASN 16 HB1 ASN 16 6.535 0.420 10.483
108 1HD2 ASN 16 HD21 ASN 16 5.579 1.745 13.396
109 2HD2 ASN 16 HD22 ASN 16 5.384 3.386 12.887
110 H LYS 17 HN LYS 17 3.395 2.069 9.830
111 HA LYS 17 HA LYS 17 2.770 1.247 7.179
112 1HB LYS 17 HB2 LYS 17 1.720 3.125 8.732
113 2HB LYS 17 HB1 LYS 17 2.865 4.142 7.864
114 1HG LYS 17 HG2 LYS 17 1.861 3.041 5.747
115 2HG LYS 17 HG1 LYS 17 0.526 2.609 6.812
116 1HD LYS 17 HD2 LYS 17 -0.103 4.647 5.816
117 2HD LYS 17 HD1 LYS 17 0.435 5.071 7.443
118 1HE LYS 17 HE2 LYS 17 2.330 6.103 6.697
119 2HE LYS 17 HE1 LYS 17 2.433 5.106 5.246
120 1HZ LYS 17 HZ1 LYS 17 0.362 6.342 4.503
121 2HZ LYS 17 HZ2 LYS 17 1.819 7.200 4.479
122 3HZ LYS 17 HZ3 LYS 17 0.711 7.453 5.735
123 H LYS 18 HN LYS 18 5.513 2.965 8.582
124 HA LYS 18 HA LYS 18 6.459 4.229 6.317
125 1HB LYS 18 HB2 LYS 18 8.735 4.149 7.331
126 2HB LYS 18 HB1 LYS 18 7.477 4.786 8.373
127 1HG LYS 18 HG2 LYS 18 7.381 2.564 9.492
128 2HG LYS 18 HG1 LYS 18 8.775 2.079 8.525
129 1HD LYS 18 HD2 LYS 18 8.684 4.401 10.452
130 2HD LYS 18 HD1 LYS 18 9.437 2.837 10.762
131 1HE LYS 18 HE2 LYS 18 10.235 4.754 8.573
132 2HE LYS 18 HE1 LYS 18 11.067 4.571 10.115
133 1HZ LYS 18 HZ1 LYS 18 11.034 2.792 7.796
134 2HZ LYS 18 HZ2 LYS 18 11.129 2.074 9.325
135 3HZ LYS 18 HZ3 LYS 18 12.307 3.186 8.839
136 HA PRO 19 HA PRO 19 9.003 0.216 5.035
137 1HB PRO 19 HB2 PRO 19 6.951 -1.791 5.836
138 2HB PRO 19 HB1 PRO 19 8.709 -1.928 5.863
139 1HG PRO 19 HG2 PRO 19 7.379 -1.621 8.125
140 2HG PRO 19 HG1 PRO 19 8.890 -0.725 7.861
141 1HD PRO 19 HD2 PRO 19 6.057 0.229 7.617
142 2HD PRO 19 HD1 PRO 19 7.449 1.030 8.373
143 H CYS 20 HN CYS 20 5.485 0.147 5.201
144 HA CYS 20 HA CYS 20 4.980 -0.900 2.646
145 1HB CYS 20 HB2 CYS 20 3.279 -0.855 4.400
146 2HB CYS 20 HB1 CYS 20 3.298 0.902 4.415
147 H VAL 21 HN VAL 21 5.105 2.447 3.847
148 HA VAL 21 HA VAL 21 4.535 3.756 1.443
149 HB VAL 21 HB VAL 21 6.340 4.724 3.670
150 1HG1 VAL 21 HG11 VAL 21 6.670 6.047 1.674
151 2HG1 VAL 21 HG12 VAL 21 5.737 6.979 2.846
152 3HG1 VAL 21 HG13 VAL 21 4.928 6.231 1.469
153 1HG2 VAL 21 HG21 VAL 21 4.246 5.984 4.324
154 2HG2 VAL 21 HG22 VAL 21 4.245 4.247 4.629
155 3HG2 VAL 21 HG23 VAL 21 3.374 4.899 3.240
156 H ALA 22 HN ALA 22 7.576 2.508 2.722
157 HA ALA 22 HA ALA 22 9.282 3.667 0.796
158 1HB ALA 22 HB1 ALA 22 10.904 2.606 1.910
159 2HB ALA 22 HB2 ALA 22 10.128 1.035 1.712
160 3HB ALA 22 HB3 ALA 22 9.637 2.101 3.029
161 H CYS 23 HN CYS 23 7.696 0.486 0.940
162 HA CYS 23 HA CYS 23 8.648 -0.517 -1.510
163 1HB CYS 23 HB2 CYS 23 7.348 -1.706 0.401
164 2HB CYS 23 HB1 CYS 23 5.907 -1.140 -0.428
165 H CYS 24 HN CYS 24 5.735 1.276 -0.662
166 HA CYS 24 HA CYS 24 4.605 1.341 -3.237
167 1HB CYS 24 HB2 CYS 24 4.251 3.194 -0.880
168 2HB CYS 24 HB1 CYS 24 3.218 3.182 -2.309
169 H LYS 25 HN LYS 25 6.856 3.533 -1.593
170 HA LYS 25 HA LYS 25 6.720 5.610 -3.492
171 1HB LYS 25 HB2 LYS 25 7.762 5.616 -1.131
172 2HB LYS 25 HB1 LYS 25 9.202 4.987 -1.916
173 1HG LYS 25 HG2 LYS 25 9.186 7.456 -1.560
174 2HG LYS 25 HG1 LYS 25 9.451 6.951 -3.229
175 1HD LYS 25 HD2 LYS 25 7.889 8.863 -3.023
176 2HD LYS 25 HD1 LYS 25 7.165 7.457 -3.798
177 1HE LYS 25 HE2 LYS 25 5.565 8.367 -2.278
178 2HE LYS 25 HE1 LYS 25 6.153 6.851 -1.600
179 1HZ LYS 25 HZ1 LYS 25 7.256 7.924 0.069
180 2HZ LYS 25 HZ2 LYS 25 5.942 8.970 -0.135
181 3HZ LYS 25 HZ3 LYS 25 7.446 9.361 -0.804
182 H LYS 26 HN LYS 26 8.953 2.834 -3.233
183 HA LYS 26 HA LYS 26 10.442 3.532 -5.554
184 1HB LYS 26 HB2 LYS 26 11.070 1.027 -5.505
185 2HB LYS 26 HB1 LYS 26 11.582 2.043 -4.165
186 1HG LYS 26 HG2 LYS 26 10.074 1.106 -2.702
187 2HG LYS 26 HG1 LYS 26 9.012 0.545 -3.992
188 1HD LYS 26 HD2 LYS 26 11.763 -0.570 -3.476
189 2HD LYS 26 HD1 LYS 26 10.279 -1.258 -2.811
190 1HE LYS 26 HE2 LYS 26 9.446 -1.381 -5.212
191 2HE LYS 26 HE1 LYS 26 11.111 -1.052 -5.693
192 1HZ LYS 26 HZ1 LYS 26 11.561 -3.032 -4.052
193 2HZ LYS 26 HZ2 LYS 26 11.140 -3.308 -5.666
194 3HZ LYS 26 HZ3 LYS 26 9.966 -3.443 -4.451
195 H ALA 27 HN ALA 27 7.432 1.877 -5.030
196 HA ALA 27 HA ALA 27 7.319 0.808 -7.724
197 1HB ALA 27 HB1 ALA 27 4.778 0.594 -6.666
198 2HB ALA 27 HB2 ALA 27 5.824 0.467 -5.251
199 3HB ALA 27 HB3 ALA 27 6.037 -0.640 -6.607
200 H LYS 28 HN LYS 28 7.282 3.795 -6.760
201 HA LYS 28 HA LYS 28 6.532 5.764 -7.507
202 1HB LYS 28 HB2 LYS 28 7.050 5.003 -9.715
203 2HB LYS 28 HB1 LYS 28 5.563 4.078 -9.815
204 1HG LYS 28 HG2 LYS 28 5.645 6.235 -11.127
205 2HG LYS 28 HG1 LYS 28 4.248 6.011 -10.077
206 1HD LYS 28 HD2 LYS 28 5.521 7.391 -8.349
207 2HD LYS 28 HD1 LYS 28 6.636 7.795 -9.658
208 1HE LYS 28 HE2 LYS 28 4.977 8.927 -10.884
209 2HE LYS 28 HE1 LYS 28 3.669 8.203 -9.949
210 1HZ LYS 28 HZ1 LYS 28 5.069 10.612 -9.491
211 2HZ LYS 28 HZ2 LYS 28 5.211 9.599 -8.148
212 3HZ LYS 28 HZ3 LYS 28 3.672 10.024 -8.727
213 H PHE 29 HN PHE 29 5.186 5.269 -5.507
214 HA PHE 29 HA PHE 29 2.404 5.903 -6.192
215 1HB PHE 29 HB2 PHE 29 3.284 3.902 -4.106
216 2HB PHE 29 HB1 PHE 29 1.702 4.674 -4.060
217 HD1 PHE 29 HD1 PHE 29 3.872 2.400 -5.993
218 HD2 PHE 29 HD2 PHE 29 -0.051 3.969 -5.500
219 HE1 PHE 29 HE1 PHE 29 2.996 0.679 -7.516
220 HE2 PHE 29 HE2 PHE 29 -0.934 2.248 -7.022
221 HZ PHE 29 HZ PHE 29 0.591 0.600 -8.031
222 H SER 30 HN SER 30 1.409 7.362 -4.765
223 HA SER 30 HA SER 30 3.108 9.316 -3.693
224 1HB SER 30 HB2 SER 30 0.198 8.963 -2.987
225 2HB SER 30 HB1 SER 30 1.116 10.469 -3.083
226 HG SER 30 HG SER 30 1.341 9.974 -5.377
227 H ASP 31 HN ASP 31 1.028 6.939 -2.082
228 HA ASP 31 HA ASP 31 2.796 6.811 0.186
229 1HB ASP 31 HB2 ASP 31 1.574 8.845 0.733
230 2HB ASP 31 HB1 ASP 31 0.040 8.026 0.479
231 H GLY 32 HN GLY 32 2.557 4.954 1.286
232 1HA GLY 32 HA2 GLY 32 0.500 3.100 0.290
233 2HA GLY 32 HA1 GLY 32 2.055 2.620 0.961
234 H HIS 33 HN HIS 33 -0.803 1.988 1.622
235 HA HIS 33 HA HIS 33 -0.609 2.579 4.500
236 1HB HIS 33 HB2 HIS 33 -3.140 2.480 4.531
237 2HB HIS 33 HB1 HIS 33 -2.443 3.899 3.764
238 HD1 HIS 33 HD1 HIS 33 -2.287 3.622 0.998
239 HD2 HIS 33 HD2 HIS 33 -5.054 1.285 3.039
240 HE1 HIS 33 HE1 HIS 33 -3.924 2.846 -0.738
241 H CYS 34 HN CYS 34 -0.691 0.881 5.800
242 HA CYS 34 HA CYS 34 -0.573 -1.740 4.760
243 1HB CYS 34 HB2 CYS 34 -0.883 -0.742 7.593
244 2HB CYS 34 HB1 CYS 34 -0.582 -2.424 7.161
245 H SER 35 HN SER 35 -2.011 -3.354 4.701
246 HA SER 35 HA SER 35 -4.791 -2.693 4.676
247 1HB SER 35 HB2 SER 35 -3.797 -4.342 3.117
248 2HB SER 35 HB1 SER 35 -3.435 -5.400 4.479
249 HG SER 35 HG SER 35 -5.885 -4.800 3.273
250 H LYS 36 HN LYS 36 -6.413 -3.498 6.071
251 HA LYS 36 HA LYS 36 -5.471 -3.928 8.784
252 1HB LYS 36 HB2 LYS 36 -7.221 -2.271 8.447
253 2HB LYS 36 HB1 LYS 36 -8.250 -3.471 7.679
254 1HG LYS 36 HG2 LYS 36 -8.475 -4.674 9.751
255 2HG LYS 36 HG1 LYS 36 -7.328 -3.592 10.543
256 1HD LYS 36 HD2 LYS 36 -9.980 -2.751 9.371
257 2HD LYS 36 HD1 LYS 36 -9.685 -3.068 11.082
258 1HE LYS 36 HE2 LYS 36 -7.999 -1.277 11.106
259 2HE LYS 36 HE1 LYS 36 -8.335 -0.952 9.406
260 1HZ LYS 36 HZ1 LYS 36 -10.774 -0.891 10.714
261 2HZ LYS 36 HZ2 LYS 36 -9.920 0.421 10.074
262 3HZ LYS 36 HZ3 LYS 36 -9.705 -0.016 11.693
263 H ILE 37 HN ILE 37 -7.318 -5.598 6.302
264 HA ILE 37 HA ILE 37 -8.146 -7.784 7.881
265 HB ILE 37 HB ILE 37 -7.728 -7.744 4.893
266 1HG1 ILE 37 HG12 ILE 37 -10.232 -7.054 6.444
267 2HG1 ILE 37 HG11 ILE 37 -9.147 -5.863 5.735
268 1HG2 ILE 37 HG21 ILE 37 -8.062 -9.977 5.869
269 2HG2 ILE 37 HG22 ILE 37 -9.409 -9.495 4.838
270 3HG2 ILE 37 HG23 ILE 37 -9.572 -9.421 6.593
271 1HD1 ILE 37 HD11 ILE 37 -11.036 -7.736 4.405
272 2HD1 ILE 37 HD12 ILE 37 -9.596 -7.200 3.537
273 3HD1 ILE 37 HD13 ILE 37 -10.764 -6.016 4.126
274 H LEU 38 HN LEU 38 -5.846 -8.006 5.162
275 HA LEU 38 HA LEU 38 -4.621 -10.319 6.405
276 1HB LEU 38 HB2 LEU 38 -5.165 -10.141 3.941
277 2HB LEU 38 HB1 LEU 38 -3.845 -9.000 3.810
278 HG LEU 38 HG LEU 38 -2.247 -10.687 4.475
279 1HD1 LEU 38 HD11 LEU 38 -3.606 -11.944 6.042
280 2HD1 LEU 38 HD12 LEU 38 -2.941 -13.023 4.816
281 3HD1 LEU 38 HD13 LEU 38 -4.629 -12.520 4.726
282 1HD2 LEU 38 HD21 LEU 38 -2.937 -10.513 2.097
283 2HD2 LEU 38 HD22 LEU 38 -4.090 -11.818 2.377
284 3HD2 LEU 38 HD23 LEU 38 -2.361 -12.118 2.550
285 H ARG 39 HN ARG 39 -4.179 -7.049 6.464
286 HA ARG 39 HA ARG 39 -2.629 -5.652 7.307
287 1HB ARG 39 HB2 ARG 39 -2.590 -7.463 9.088
288 2HB ARG 39 HB1 ARG 39 -1.134 -8.068 8.313
289 1HG ARG 39 HG2 ARG 39 -0.549 -6.683 10.194
290 2HG ARG 39 HG1 ARG 39 -0.051 -5.892 8.697
291 1HD ARG 39 HD2 ARG 39 -2.099 -4.516 8.781
292 2HD ARG 39 HD1 ARG 39 -2.521 -5.271 10.316
293 HE ARG 39 HE ARG 39 -0.683 -3.143 9.905
294 1HH1 ARG 39 HH11 ARG 39 -1.277 -5.936 11.927
295 2HH1 ARG 39 HH12 ARG 39 -0.346 -5.334 13.257
296 1HH2 ARG 39 HH21 ARG 39 0.542 -2.337 11.658
297 2HH2 ARG 39 HH22 ARG 39 0.694 -3.278 13.103
298 H ARG 40 HN ARG 40 -2.350 -6.583 4.599
299 HA ARG 40 HA ARG 40 0.506 -6.849 4.153
300 1HB ARG 40 HB2 ARG 40 -1.870 -6.735 2.310
301 2HB ARG 40 HB1 ARG 40 -0.230 -6.609 1.692
302 1HG ARG 40 HG2 ARG 40 0.265 -8.801 2.793
303 2HG ARG 40 HG1 ARG 40 -1.458 -8.933 3.159
304 1HD ARG 40 HD2 ARG 40 -0.251 -8.650 0.406
305 2HD ARG 40 HD1 ARG 40 -0.869 -10.145 1.109
306 HE ARG 40 HE ARG 40 -3.030 -8.640 1.270
307 1HH1 ARG 40 HH11 ARG 40 -0.762 -8.988 -1.383
308 2HH1 ARG 40 HH12 ARG 40 -1.940 -8.595 -2.599
309 1HH2 ARG 40 HH21 ARG 40 -4.586 -8.174 -0.361
310 2HH2 ARG 40 HH22 ARG 40 -4.082 -8.103 -2.026
311 H CYS 41 HN CYS 41 0.221 -5.143 1.633
312 HA CYS 41 HA CYS 41 0.177 -2.478 2.859
313 1HB CYS 41 HB2 CYS 41 2.488 -2.993 2.923
314 2HB CYS 41 HB1 CYS 41 2.451 -3.728 1.326
315 H LEU 42 HN LEU 42 -1.259 -1.339 1.778
316 HA LEU 42 HA LEU 42 -1.672 -1.837 -1.087
317 1HB LEU 42 HB2 LEU 42 -3.364 -0.787 1.127
318 2HB LEU 42 HB1 LEU 42 -3.667 -0.162 -0.481
319 HG LEU 42 HG LEU 42 -4.022 -2.500 -1.271
320 1HD1 LEU 42 HD11 LEU 42 -2.690 -3.355 0.849
321 2HD1 LEU 42 HD12 LEU 42 -3.934 -4.333 0.071
322 3HD1 LEU 42 HD13 LEU 42 -4.315 -3.423 1.533
323 1HD2 LEU 42 HD21 LEU 42 -6.201 -2.292 -0.831
324 2HD2 LEU 42 HD22 LEU 42 -5.741 -0.824 0.029
325 3HD2 LEU 42 HD23 LEU 42 -5.951 -2.335 0.914
326 H CYS 43 HN CYS 43 -0.911 -0.419 -2.518
327 HA CYS 43 HA CYS 43 0.140 2.112 -1.500
328 1HB CYS 43 HB2 CYS 43 0.607 0.760 -4.158
329 2HB CYS 43 HB1 CYS 43 1.451 2.176 -3.542
330 H THR 44 HN THR 44 -0.536 4.065 -2.178
331 HA THR 44 HA THR 44 -2.656 4.146 -4.224
332 HB THR 44 HB THR 44 -3.008 6.401 -2.642
333 HG1 THR 44 HG1 THR 44 -1.748 5.425 -0.979
334 1HG2 THR 44 HG21 THR 44 -4.868 4.468 -1.783
335 2HG2 THR 44 HG22 THR 44 -4.471 4.074 -3.456
336 3HG2 THR 44 HG23 THR 44 -5.075 5.680 -3.044
337 H LYS 45 HN LYS 45 -2.561 5.854 -5.683
338 HA LYS 45 HA LYS 45 -0.676 8.001 -5.362
339 1HB LYS 45 HB2 LYS 45 0.790 7.517 -7.180
340 2HB LYS 45 HB1 LYS 45 0.804 6.142 -6.090
341 1HG LYS 45 HG2 LYS 45 0.044 4.751 -7.659
342 2HG LYS 45 HG1 LYS 45 -1.153 5.909 -8.241
343 1HD LYS 45 HD2 LYS 45 0.354 6.939 -9.677
344 2HD LYS 45 HD1 LYS 45 1.759 6.321 -8.806
345 1HE LYS 45 HE2 LYS 45 -0.158 4.564 -10.327
346 2HE LYS 45 HE1 LYS 45 1.302 5.252 -11.040
347 1HZ LYS 45 HZ1 LYS 45 1.021 3.054 -9.185
348 2HZ LYS 45 HZ2 LYS 45 2.252 4.147 -8.784
349 3HZ LYS 45 HZ3 LYS 45 2.255 3.385 -10.294
350 H GLU 46 HN GLU 46 -0.376 9.112 -7.545
351 HA GLU 46 HA GLU 46 -2.987 9.933 -8.396
352 1HB GLU 46 HB2 GLU 46 -1.820 11.705 -9.524
353 2HB GLU 46 HB1 GLU 46 -1.082 11.485 -7.946
354 1HG GLU 46 HG2 GLU 46 0.073 10.181 -10.377
355 2HG GLU 46 HG1 GLU 46 0.414 11.864 -10.006
356 H CYS 47 HN CYS 47 -3.940 9.660 -10.420
357 HA CYS 47 HA CYS 47 -2.527 8.683 -12.671
358 1HB CYS 47 HB2 CYS 47 -3.525 6.487 -12.918
359 2HB CYS 47 HB1 CYS 47 -2.615 6.560 -11.416
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 -13.696 9.425 -7.424
2 2H ALA 1 HT2 ALA 1 -12.821 8.495 -6.316
3 3H ALA 1 HT3 ALA 1 -13.111 7.904 -7.876
4 HA ALA 1 HA ALA 1 -11.430 8.990 -8.771
5 1HB ALA 1 HB1 ALA 1 -12.835 11.156 -7.643
6 2HB ALA 1 HB2 ALA 1 -11.610 11.199 -8.911
7 3HB ALA 1 HB3 ALA 1 -11.136 11.377 -7.221
8 H THR 2 HN THR 2 -11.102 7.128 -6.737
9 HA THR 2 HA THR 2 -8.493 7.886 -5.743
10 HB THR 2 HB THR 2 -10.568 6.879 -3.785
11 HG1 THR 2 HG1 THR 2 -9.727 9.502 -4.446
12 1HG2 THR 2 HG21 THR 2 -7.922 8.178 -3.179
13 2HG2 THR 2 HG22 THR 2 -8.065 6.439 -3.438
14 3HG2 THR 2 HG23 THR 2 -8.942 7.209 -2.115
15 H CYS 3 HN CYS 3 -7.178 6.222 -6.054
16 HA CYS 3 HA CYS 3 -8.348 3.554 -6.399
17 1HB CYS 3 HB2 CYS 3 -5.912 4.908 -7.508
18 2HB CYS 3 HB1 CYS 3 -5.964 3.148 -7.416
19 H LYS 4 HN LYS 4 -7.837 1.924 -5.086
20 HA LYS 4 HA LYS 4 -5.619 2.249 -3.177
21 1HB LYS 4 HB2 LYS 4 -7.872 2.804 -2.154
22 2HB LYS 4 HB1 LYS 4 -8.357 1.149 -2.471
23 1HG LYS 4 HG2 LYS 4 -6.003 1.880 -0.742
24 2HG LYS 4 HG1 LYS 4 -7.634 1.652 -0.120
25 1HD LYS 4 HD2 LYS 4 -5.957 -0.415 -1.546
26 2HD LYS 4 HD1 LYS 4 -6.300 -0.363 0.182
27 1HE LYS 4 HE2 LYS 4 -8.623 -0.795 -0.197
28 2HE LYS 4 HE1 LYS 4 -8.430 -0.601 -1.939
29 1HZ LYS 4 HZ1 LYS 4 -7.417 -2.636 -2.142
30 2HZ LYS 4 HZ2 LYS 4 -8.498 -2.962 -0.888
31 3HZ LYS 4 HZ3 LYS 4 -6.866 -2.671 -0.540
32 H ALA 5 HN ALA 5 -4.383 0.489 -2.997
33 HA ALA 5 HA ALA 5 -5.364 -2.169 -3.451
34 1HB ALA 5 HB1 ALA 5 -5.097 -1.960 -5.721
35 2HB ALA 5 HB2 ALA 5 -3.468 -2.466 -5.271
36 3HB ALA 5 HB3 ALA 5 -3.811 -0.762 -5.570
37 H GLU 6 HN GLU 6 -4.104 -3.606 -2.355
38 HA GLU 6 HA GLU 6 -2.059 -2.578 -0.680
39 1HB GLU 6 HB2 GLU 6 -2.741 -5.483 -1.236
40 2HB GLU 6 HB1 GLU 6 -1.699 -4.905 0.038
41 1HG GLU 6 HG2 GLU 6 -3.944 -5.543 0.819
42 2HG GLU 6 HG1 GLU 6 -3.514 -3.877 1.185
43 H CYS 7 HN CYS 7 0.121 -2.928 -0.736
44 HA CYS 7 HA CYS 7 1.464 -2.734 -3.125
45 1HB CYS 7 HB2 CYS 7 2.754 -2.152 -1.296
46 2HB CYS 7 HB1 CYS 7 2.251 -3.554 -0.362
47 HA PRO 8 HA PRO 8 0.895 -6.734 -4.999
48 1HB PRO 8 HB2 PRO 8 3.081 -6.472 -6.717
49 2HB PRO 8 HB1 PRO 8 1.432 -5.947 -7.060
50 1HG PRO 8 HG2 PRO 8 3.768 -4.361 -6.104
51 2HG PRO 8 HG1 PRO 8 2.474 -3.895 -7.223
52 1HD PRO 8 HD2 PRO 8 2.511 -3.026 -4.688
53 2HD PRO 8 HD1 PRO 8 0.986 -3.433 -5.503
54 H THR 9 HN THR 9 4.155 -5.636 -4.169
55 HA THR 9 HA THR 9 5.005 -8.378 -3.686
56 HB THR 9 HB THR 9 7.229 -7.184 -3.152
57 HG1 THR 9 HG1 THR 9 6.048 -5.071 -3.023
58 1HG2 THR 9 HG21 THR 9 6.007 -7.951 -5.595
59 2HG2 THR 9 HG22 THR 9 7.725 -7.901 -5.202
60 3HG2 THR 9 HG23 THR 9 6.939 -6.485 -5.900
61 H TRP 10 HN TRP 10 3.034 -7.724 -1.944
62 HA TRP 10 HA TRP 10 4.504 -7.472 0.583
63 1HB TRP 10 HB2 TRP 10 3.252 -5.329 -0.200
64 2HB TRP 10 HB1 TRP 10 1.802 -6.207 0.277
65 HD1 TRP 10 HD1 TRP 10 1.390 -6.588 2.858
66 HE1 TRP 10 HE1 TRP 10 2.454 -5.529 4.967
67 HE3 TRP 10 HE3 TRP 10 5.435 -4.367 0.680
68 HZ2 TRP 10 HZ2 TRP 10 4.729 -3.923 5.591
69 HZ3 TRP 10 HZ3 TRP 10 6.990 -3.081 2.083
70 HH2 TRP 10 HH2 TRP 10 6.640 -2.869 4.487
71 H ASP 11 HN ASP 11 4.188 -9.240 1.686
72 HA ASP 11 HA ASP 11 1.505 -10.434 1.781
73 1HB ASP 11 HB2 ASP 11 2.552 -12.675 1.823
74 2HB ASP 11 HB1 ASP 11 2.874 -11.830 0.314
75 H SER 12 HN SER 12 3.986 -9.010 3.395
76 HA SER 12 HA SER 12 3.626 -10.549 5.848
77 1HB SER 12 HB2 SER 12 5.929 -9.980 4.921
78 2HB SER 12 HB1 SER 12 5.602 -8.313 5.391
79 HG SER 12 HG SER 12 6.297 -10.463 6.928
80 H VAL 13 HN VAL 13 4.199 -8.732 7.746
81 HA VAL 13 HA VAL 13 1.726 -7.224 7.915
82 HB VAL 13 HB VAL 13 3.905 -7.686 9.961
83 1HG1 VAL 13 HG11 VAL 13 2.809 -5.717 10.627
84 2HG1 VAL 13 HG12 VAL 13 2.056 -7.006 11.566
85 3HG1 VAL 13 HG13 VAL 13 1.227 -6.341 10.158
86 1HG2 VAL 13 HG21 VAL 13 1.264 -9.046 9.478
87 2HG2 VAL 13 HG22 VAL 13 2.178 -9.202 10.979
88 3HG2 VAL 13 HG23 VAL 13 2.874 -9.765 9.459
89 H CYS 14 HN CYS 14 1.552 -5.093 7.661
90 HA CYS 14 HA CYS 14 3.894 -3.517 7.019
91 1HB CYS 14 HB2 CYS 14 1.694 -3.307 5.812
92 2HB CYS 14 HB1 CYS 14 1.008 -2.632 7.282
93 H ILE 15 HN ILE 15 5.105 -3.024 8.777
94 HA ILE 15 HA ILE 15 3.747 -2.188 11.231
95 HB ILE 15 HB ILE 15 6.684 -2.745 10.777
96 1HG1 ILE 15 HG12 ILE 15 4.567 -4.463 12.095
97 2HG1 ILE 15 HG11 ILE 15 5.241 -4.745 10.494
98 1HG2 ILE 15 HG21 ILE 15 6.810 -2.795 13.235
99 2HG2 ILE 15 HG22 ILE 15 5.116 -2.309 13.318
100 3HG2 ILE 15 HG23 ILE 15 6.315 -1.216 12.625
101 1HD1 ILE 15 HD11 ILE 15 6.605 -4.979 13.153
102 2HD1 ILE 15 HD12 ILE 15 7.495 -4.917 11.632
103 3HD1 ILE 15 HD13 ILE 15 6.351 -6.225 11.932
104 H ASN 16 HN ASN 16 6.433 -1.106 9.162
105 HA ASN 16 HA ASN 16 6.063 1.605 10.208
106 1HB ASN 16 HB2 ASN 16 8.354 0.467 10.226
107 2HB ASN 16 HB1 ASN 16 8.347 0.656 8.476
108 1HD2 ASN 16 HD21 ASN 16 9.358 1.994 11.288
109 2HD2 ASN 16 HD22 ASN 16 9.565 3.630 10.779
110 H LYS 17 HN LYS 17 5.694 3.334 8.855
111 HA LYS 17 HA LYS 17 4.151 2.832 6.545
112 1HB LYS 17 HB2 LYS 17 3.752 4.764 7.975
113 2HB LYS 17 HB1 LYS 17 5.341 5.407 7.589
114 1HG LYS 17 HG2 LYS 17 4.670 5.721 5.271
115 2HG LYS 17 HG1 LYS 17 3.086 5.030 5.626
116 1HD LYS 17 HD2 LYS 17 2.533 6.847 7.070
117 2HD LYS 17 HD1 LYS 17 4.183 7.468 7.016
118 1HE LYS 17 HE2 LYS 17 2.737 8.810 5.606
119 2HE LYS 17 HE1 LYS 17 3.912 7.942 4.622
120 1HZ LYS 17 HZ1 LYS 17 1.014 7.527 4.842
121 2HZ LYS 17 HZ2 LYS 17 1.999 6.217 4.425
122 3HZ LYS 17 HZ3 LYS 17 1.984 7.608 3.458
123 H LYS 18 HN LYS 18 7.532 3.710 7.001
124 HA LYS 18 HA LYS 18 8.180 4.628 4.476
125 1HB LYS 18 HB2 LYS 18 9.879 2.982 6.350
126 2HB LYS 18 HB1 LYS 18 10.494 3.817 4.931
127 1HG LYS 18 HG2 LYS 18 9.159 5.133 7.289
128 2HG LYS 18 HG1 LYS 18 10.897 5.071 6.993
129 1HD LYS 18 HD2 LYS 18 10.575 6.309 4.899
130 2HD LYS 18 HD1 LYS 18 8.841 6.382 5.214
131 1HE LYS 18 HE2 LYS 18 9.902 8.470 5.849
132 2HE LYS 18 HE1 LYS 18 9.277 7.641 7.273
133 1HZ LYS 18 HZ1 LYS 18 11.294 7.689 8.151
134 2HZ LYS 18 HZ2 LYS 18 11.884 8.514 6.798
135 3HZ LYS 18 HZ3 LYS 18 11.927 6.824 6.841
136 HA PRO 19 HA PRO 19 9.284 -0.020 3.081
137 1HB PRO 19 HB2 PRO 19 7.164 -1.257 4.799
138 2HB PRO 19 HB1 PRO 19 8.688 -1.953 4.243
139 1HG PRO 19 HG2 PRO 19 8.485 -1.103 6.726
140 2HG PRO 19 HG1 PRO 19 9.947 -0.727 5.792
141 1HD PRO 19 HD2 PRO 19 7.632 1.035 6.482
142 2HD PRO 19 HD1 PRO 19 9.363 1.424 6.409
143 H CYS 20 HN CYS 20 5.998 0.692 4.196
144 HA CYS 20 HA CYS 20 4.651 -0.422 1.990
145 1HB CYS 20 HB2 CYS 20 3.631 0.113 4.216
146 2HB CYS 20 HB1 CYS 20 3.711 1.821 3.801
147 H VAL 21 HN VAL 21 5.451 2.983 2.749
148 HA VAL 21 HA VAL 21 4.445 4.112 0.396
149 HB VAL 21 HB VAL 21 6.774 5.057 2.082
150 1HG1 VAL 21 HG11 VAL 21 6.363 5.954 -0.381
151 2HG1 VAL 21 HG12 VAL 21 6.835 7.029 0.935
152 3HG1 VAL 21 HG13 VAL 21 5.144 6.925 0.445
153 1HG2 VAL 21 HG21 VAL 21 4.672 6.727 2.567
154 2HG2 VAL 21 HG22 VAL 21 5.140 5.364 3.584
155 3HG2 VAL 21 HG23 VAL 21 3.866 5.169 2.380
156 H ALA 22 HN ALA 22 7.545 2.603 1.095
157 HA ALA 22 HA ALA 22 8.900 3.331 -1.262
158 1HB ALA 22 HB1 ALA 22 9.359 1.605 0.968
159 2HB ALA 22 HB2 ALA 22 10.526 2.288 -0.164
160 3HB ALA 22 HB3 ALA 22 9.753 0.743 -0.519
161 H CYS 23 HN CYS 23 6.843 0.535 -0.491
162 HA CYS 23 HA CYS 23 7.135 -0.689 -3.041
163 1HB CYS 23 HB2 CYS 23 6.244 -1.812 -0.928
164 2HB CYS 23 HB1 CYS 23 4.725 -0.994 -1.264
165 H CYS 24 HN CYS 24 4.744 1.446 -1.615
166 HA CYS 24 HA CYS 24 2.951 1.473 -3.749
167 1HB CYS 24 HB2 CYS 24 3.546 3.632 -1.725
168 2HB CYS 24 HB1 CYS 24 2.134 3.599 -2.781
169 H LYS 25 HN LYS 25 5.768 3.588 -3.142
170 HA LYS 25 HA LYS 25 5.273 5.201 -5.416
171 1HB LYS 25 HB2 LYS 25 7.519 6.080 -5.136
172 2HB LYS 25 HB1 LYS 25 6.689 5.994 -3.592
173 1HG LYS 25 HG2 LYS 25 7.928 3.935 -3.069
174 2HG LYS 25 HG1 LYS 25 8.795 4.095 -4.599
175 1HD LYS 25 HD2 LYS 25 10.121 4.973 -2.748
176 2HD LYS 25 HD1 LYS 25 9.677 6.260 -3.870
177 1HE LYS 25 HE2 LYS 25 7.830 6.897 -2.376
178 2HE LYS 25 HE1 LYS 25 8.322 5.636 -1.248
179 1HZ LYS 25 HZ1 LYS 25 10.181 7.774 -2.089
180 2HZ LYS 25 HZ2 LYS 25 10.281 6.764 -0.736
181 3HZ LYS 25 HZ3 LYS 25 9.114 7.987 -0.793
182 H LYS 26 HN LYS 26 7.168 2.214 -4.987
183 HA LYS 26 HA LYS 26 8.267 2.332 -7.619
184 1HB LYS 26 HB2 LYS 26 8.924 -0.017 -7.306
185 2HB LYS 26 HB1 LYS 26 9.390 0.980 -5.941
186 1HG LYS 26 HG2 LYS 26 8.616 -0.895 -4.891
187 2HG LYS 26 HG1 LYS 26 7.167 0.107 -4.900
188 1HD LYS 26 HD2 LYS 26 6.232 -1.801 -5.694
189 2HD LYS 26 HD1 LYS 26 6.822 -1.169 -7.231
190 1HE LYS 26 HE2 LYS 26 7.448 -3.468 -7.099
191 2HE LYS 26 HE1 LYS 26 8.907 -2.501 -6.888
192 1HZ LYS 26 HZ1 LYS 26 7.432 -4.098 -4.894
193 2HZ LYS 26 HZ2 LYS 26 8.356 -2.772 -4.387
194 3HZ LYS 26 HZ3 LYS 26 9.094 -4.048 -5.214
195 H ALA 27 HN ALA 27 5.215 1.438 -6.359
196 HA ALA 27 HA ALA 27 4.451 0.030 -8.812
197 1HB ALA 27 HB1 ALA 27 3.680 -0.192 -6.088
198 2HB ALA 27 HB2 ALA 27 3.163 -1.173 -7.460
199 3HB ALA 27 HB3 ALA 27 2.259 0.277 -7.022
200 H LYS 28 HN LYS 28 4.857 3.054 -8.099
201 HA LYS 28 HA LYS 28 4.127 5.037 -8.861
202 1HB LYS 28 HB2 LYS 28 3.932 3.639 -10.988
203 2HB LYS 28 HB1 LYS 28 2.204 3.586 -10.666
204 1HG LYS 28 HG2 LYS 28 2.049 5.982 -10.830
205 2HG LYS 28 HG1 LYS 28 3.801 6.120 -10.990
206 1HD LYS 28 HD2 LYS 28 3.674 4.816 -13.088
207 2HD LYS 28 HD1 LYS 28 1.916 4.790 -12.937
208 1HE LYS 28 HE2 LYS 28 1.848 7.217 -13.068
209 2HE LYS 28 HE1 LYS 28 3.608 7.279 -13.146
210 1HZ LYS 28 HZ1 LYS 28 2.215 5.669 -15.151
211 2HZ LYS 28 HZ2 LYS 28 3.631 6.583 -15.293
212 3HZ LYS 28 HZ3 LYS 28 2.124 7.352 -15.300
213 H PHE 29 HN PHE 29 3.113 4.581 -6.517
214 HA PHE 29 HA PHE 29 0.311 5.483 -6.696
215 1HB PHE 29 HB2 PHE 29 1.553 3.644 -4.646
216 2HB PHE 29 HB1 PHE 29 0.088 4.552 -4.308
217 HD1 PHE 29 HD1 PHE 29 -1.964 3.660 -4.828
218 HD2 PHE 29 HD2 PHE 29 1.503 2.120 -6.752
219 HE1 PHE 29 HE1 PHE 29 -3.320 1.865 -5.821
220 HE2 PHE 29 HE2 PHE 29 0.152 0.326 -7.756
221 HZ PHE 29 HZ PHE 29 -2.262 0.195 -7.290
222 H SER 30 HN SER 30 -0.259 7.169 -5.302
223 HA SER 30 HA SER 30 1.733 9.068 -4.837
224 1HB SER 30 HB2 SER 30 -1.018 9.048 -3.605
225 2HB SER 30 HB1 SER 30 -0.017 10.452 -3.988
226 HG SER 30 HG SER 30 -1.545 10.189 -5.626
227 H ASP 31 HN ASP 31 0.002 6.995 -2.502
228 HA ASP 31 HA ASP 31 2.251 7.241 -0.690
229 1HB ASP 31 HB2 ASP 31 0.953 9.225 -0.090
230 2HB ASP 31 HB1 ASP 31 -0.486 8.235 0.136
231 H GLY 32 HN GLY 32 2.229 5.764 1.042
232 1HA GLY 32 HA2 GLY 32 0.293 3.557 0.711
233 2HA GLY 32 HA1 GLY 32 1.998 3.296 1.060
234 H HIS 33 HN HIS 33 -0.573 2.640 2.513
235 HA HIS 33 HA HIS 33 0.380 3.526 5.129
236 1HB HIS 33 HB2 HIS 33 -1.855 4.212 5.853
237 2HB HIS 33 HB1 HIS 33 -1.315 5.178 4.490
238 HD1 HIS 33 HD1 HIS 33 -3.846 2.604 5.468
239 HD2 HIS 33 HD2 HIS 33 -2.811 4.825 2.115
240 HE1 HIS 33 HE1 HIS 33 -5.732 2.291 3.838
241 H CYS 34 HN CYS 34 0.134 2.050 6.695
242 HA CYS 34 HA CYS 34 -0.547 -0.619 5.980
243 1HB CYS 34 HB2 CYS 34 -0.199 0.478 8.776
244 2HB CYS 34 HB1 CYS 34 0.001 -1.189 8.251
245 H SER 35 HN SER 35 -2.417 -1.760 6.352
246 HA SER 35 HA SER 35 -4.758 -0.207 6.999
247 1HB SER 35 HB2 SER 35 -5.946 -2.418 6.555
248 2HB SER 35 HB1 SER 35 -5.061 -1.715 5.202
249 HG SER 35 HG SER 35 -3.494 -3.210 5.421
250 H LYS 36 HN LYS 36 -6.459 -1.320 8.418
251 HA LYS 36 HA LYS 36 -5.246 -1.754 11.018
252 1HB LYS 36 HB2 LYS 36 -7.020 -0.163 10.992
253 2HB LYS 36 HB1 LYS 36 -8.077 -1.253 10.106
254 1HG LYS 36 HG2 LYS 36 -8.233 -2.712 12.037
255 2HG LYS 36 HG1 LYS 36 -7.122 -1.672 12.932
256 1HD LYS 36 HD2 LYS 36 -9.800 -0.799 11.845
257 2HD LYS 36 HD1 LYS 36 -9.507 -1.297 13.512
258 1HE LYS 36 HE2 LYS 36 -7.871 0.529 13.745
259 2HE LYS 36 HE1 LYS 36 -8.224 1.039 12.095
260 1HZ LYS 36 HZ1 LYS 36 -10.116 2.026 12.725
261 2HZ LYS 36 HZ2 LYS 36 -9.460 1.985 14.284
262 3HZ LYS 36 HZ3 LYS 36 -10.546 0.786 13.794
263 H ILE 37 HN ILE 37 -7.067 -3.518 8.618
264 HA ILE 37 HA ILE 37 -7.864 -5.692 10.228
265 HB ILE 37 HB ILE 37 -7.324 -6.030 7.309
266 1HG1 ILE 37 HG12 ILE 37 -9.784 -4.639 8.371
267 2HG1 ILE 37 HG11 ILE 37 -8.406 -3.773 7.695
268 1HG2 ILE 37 HG21 ILE 37 -9.640 -7.167 7.593
269 2HG2 ILE 37 HG22 ILE 37 -9.260 -7.111 9.314
270 3HG2 ILE 37 HG23 ILE 37 -8.198 -7.977 8.203
271 1HD1 ILE 37 HD11 ILE 37 -8.864 -5.506 5.702
272 2HD1 ILE 37 HD12 ILE 37 -9.626 -3.916 5.809
273 3HD1 ILE 37 HD13 ILE 37 -10.499 -5.350 6.351
274 H LEU 38 HN LEU 38 -6.198 -6.830 7.497
275 HA LEU 38 HA LEU 38 -4.564 -8.581 9.038
276 1HB LEU 38 HB2 LEU 38 -5.591 -9.049 6.777
277 2HB LEU 38 HB1 LEU 38 -4.356 -8.022 6.087
278 HG LEU 38 HG LEU 38 -2.621 -9.514 6.985
279 1HD1 LEU 38 HD11 LEU 38 -3.031 -11.138 8.449
280 2HD1 LEU 38 HD12 LEU 38 -4.351 -11.783 7.473
281 3HD1 LEU 38 HD13 LEU 38 -4.655 -10.467 8.608
282 1HD2 LEU 38 HD21 LEU 38 -4.709 -10.804 5.235
283 2HD2 LEU 38 HD22 LEU 38 -3.069 -11.416 5.453
284 3HD2 LEU 38 HD23 LEU 38 -3.330 -9.838 4.711
285 H ARG 39 HN ARG 39 -4.205 -5.459 8.571
286 HA ARG 39 HA ARG 39 -2.542 -3.947 8.744
287 1HB ARG 39 HB2 ARG 39 -1.903 -5.617 10.580
288 2HB ARG 39 HB1 ARG 39 -0.696 -6.221 9.454
289 1HG ARG 39 HG2 ARG 39 0.322 -4.666 10.967
290 2HG ARG 39 HG1 ARG 39 0.288 -3.968 9.346
291 1HD ARG 39 HD2 ARG 39 -1.789 -2.747 10.002
292 2HD ARG 39 HD1 ARG 39 -1.551 -3.334 11.648
293 HE ARG 39 HE ARG 39 0.812 -2.087 10.763
294 1HH1 ARG 39 HH11 ARG 39 -2.474 -1.275 11.634
295 2HH1 ARG 39 HH12 ARG 39 -2.075 0.313 12.202
296 1HH2 ARG 39 HH21 ARG 39 1.358 0.008 11.496
297 2HH2 ARG 39 HH22 ARG 39 0.121 1.048 12.121
298 H ARG 40 HN ARG 40 -3.071 -5.217 6.222
299 HA ARG 40 HA ARG 40 -0.578 -5.674 4.868
300 1HB ARG 40 HB2 ARG 40 -3.426 -5.356 3.981
301 2HB ARG 40 HB1 ARG 40 -2.124 -5.341 2.801
302 1HG ARG 40 HG2 ARG 40 -1.415 -7.559 3.603
303 2HG ARG 40 HG1 ARG 40 -2.796 -7.570 4.703
304 1HD ARG 40 HD2 ARG 40 -4.340 -7.526 2.883
305 2HD ARG 40 HD1 ARG 40 -3.048 -7.232 1.720
306 HE ARG 40 HE ARG 40 -3.879 -9.749 2.781
307 1HH1 ARG 40 HH11 ARG 40 -1.185 -7.992 1.397
308 2HH1 ARG 40 HH12 ARG 40 -0.280 -9.411 0.986
309 1HH2 ARG 40 HH21 ARG 40 -2.686 -11.648 2.242
310 2HH2 ARG 40 HH22 ARG 40 -1.140 -11.497 1.474
311 H CYS 41 HN CYS 41 0.324 -4.335 3.218
312 HA CYS 41 HA CYS 41 0.264 -1.531 3.863
313 1HB CYS 41 HB2 CYS 41 2.406 -2.343 3.299
314 2HB CYS 41 HB1 CYS 41 1.800 -3.221 1.900
315 H LEU 42 HN LEU 42 -1.457 -0.389 3.185
316 HA LEU 42 HA LEU 42 -2.682 -1.019 0.609
317 1HB LEU 42 HB2 LEU 42 -3.505 0.466 3.048
318 2HB LEU 42 HB1 LEU 42 -4.191 1.002 1.526
319 HG LEU 42 HG LEU 42 -5.104 -1.259 1.157
320 1HD1 LEU 42 HD11 LEU 42 -4.660 -2.132 3.915
321 2HD1 LEU 42 HD12 LEU 42 -3.215 -2.121 2.903
322 3HD1 LEU 42 HD13 LEU 42 -4.631 -3.050 2.410
323 1HD2 LEU 42 HD21 LEU 42 -6.814 -0.150 2.089
324 2HD2 LEU 42 HD22 LEU 42 -5.820 0.483 3.401
325 3HD2 LEU 42 HD23 LEU 42 -6.473 -1.152 3.500
326 H CYS 43 HN CYS 43 -2.146 0.058 -1.158
327 HA CYS 43 HA CYS 43 -0.750 2.610 -0.879
328 1HB CYS 43 HB2 CYS 43 -1.100 0.795 -3.275
329 2HB CYS 43 HB1 CYS 43 -0.215 2.313 -3.287
330 H THR 44 HN THR 44 -1.634 4.489 -1.524
331 HA THR 44 HA THR 44 -4.250 4.358 -2.866
332 HB THR 44 HB THR 44 -4.649 6.547 -1.429
333 HG1 THR 44 HG1 THR 44 -2.489 6.229 -0.435
334 1HG2 THR 44 HG21 THR 44 -5.675 4.048 -1.413
335 2HG2 THR 44 HG22 THR 44 -6.190 5.326 -0.312
336 3HG2 THR 44 HG23 THR 44 -5.010 4.127 0.218
337 H LYS 45 HN LYS 45 -4.696 5.886 -4.352
338 HA LYS 45 HA LYS 45 -3.098 8.239 -4.699
339 1HB LYS 45 HB2 LYS 45 -2.229 7.723 -6.911
340 2HB LYS 45 HB1 LYS 45 -1.608 6.576 -5.736
341 1HG LYS 45 HG2 LYS 45 -3.235 4.915 -6.500
342 2HG LYS 45 HG1 LYS 45 -3.848 6.073 -7.687
343 1HD LYS 45 HD2 LYS 45 -1.696 6.145 -8.784
344 2HD LYS 45 HD1 LYS 45 -0.998 5.097 -7.550
345 1HE LYS 45 HE2 LYS 45 -2.658 3.346 -8.243
346 2HE LYS 45 HE1 LYS 45 -3.088 4.390 -9.599
347 1HZ LYS 45 HZ1 LYS 45 -0.990 2.571 -9.453
348 2HZ LYS 45 HZ2 LYS 45 -0.283 4.109 -9.477
349 3HZ LYS 45 HZ3 LYS 45 -1.342 3.642 -10.714
350 H GLU 46 HN GLU 46 -3.929 9.597 -6.411
351 HA GLU 46 HA GLU 46 -6.780 9.330 -6.619
352 1HB GLU 46 HB2 GLU 46 -6.589 11.484 -7.921
353 2HB GLU 46 HB1 GLU 46 -5.978 11.536 -6.276
354 1HG GLU 46 HG2 GLU 46 -4.069 10.962 -8.484
355 2HG GLU 46 HG1 GLU 46 -4.656 12.609 -8.277
356 H CYS 47 HN CYS 47 -7.998 9.102 -8.471
357 HA CYS 47 HA CYS 47 -6.866 8.716 -11.054
358 1HB CYS 47 HB2 CYS 47 -7.501 6.356 -11.320
359 2HB CYS 47 HB1 CYS 47 -6.271 6.546 -10.076
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 -11.120 10.320 -8.812
2 2H ALA 1 HT2 ALA 1 -11.230 11.950 -8.376
3 3H ALA 1 HT3 ALA 1 -10.654 10.815 -7.262
4 HA ALA 1 HA ALA 1 -9.215 10.881 -9.742
5 1HB ALA 1 HB1 ALA 1 -7.937 12.960 -8.761
6 2HB ALA 1 HB2 ALA 1 -9.511 13.314 -8.049
7 3HB ALA 1 HB3 ALA 1 -9.347 13.170 -9.800
8 H THR 2 HN THR 2 -9.472 9.019 -7.668
9 HA THR 2 HA THR 2 -6.729 8.867 -6.761
10 HB THR 2 HB THR 2 -8.952 8.600 -4.726
11 HG1 THR 2 HG1 THR 2 -7.338 10.825 -5.429
12 1HG2 THR 2 HG21 THR 2 -7.302 7.561 -3.614
13 2HG2 THR 2 HG22 THR 2 -6.589 9.164 -3.427
14 3HG2 THR 2 HG23 THR 2 -6.072 8.117 -4.750
15 H CYS 3 HN CYS 3 -6.082 6.821 -7.098
16 HA CYS 3 HA CYS 3 -8.164 4.739 -7.173
17 1HB CYS 3 HB2 CYS 3 -5.745 5.181 -8.893
18 2HB CYS 3 HB1 CYS 3 -6.449 3.572 -8.733
19 H LYS 4 HN LYS 4 -7.949 2.982 -5.982
20 HA LYS 4 HA LYS 4 -5.459 2.625 -4.437
21 1HB LYS 4 HB2 LYS 4 -7.596 3.213 -3.176
22 2HB LYS 4 HB1 LYS 4 -8.233 1.661 -3.686
23 1HG LYS 4 HG2 LYS 4 -5.721 1.978 -2.054
24 2HG LYS 4 HG1 LYS 4 -7.321 1.737 -1.358
25 1HD LYS 4 HD2 LYS 4 -5.897 -0.167 -3.223
26 2HD LYS 4 HD1 LYS 4 -6.061 -0.361 -1.478
27 1HE LYS 4 HE2 LYS 4 -8.432 -0.617 -1.661
28 2HE LYS 4 HE1 LYS 4 -8.401 -0.175 -3.368
29 1HZ LYS 4 HZ1 LYS 4 -7.089 -2.193 -3.794
30 2HZ LYS 4 HZ2 LYS 4 -8.601 -2.550 -3.134
31 3HZ LYS 4 HZ3 LYS 4 -7.216 -2.631 -2.163
32 H ALA 5 HN ALA 5 -4.382 0.825 -4.744
33 HA ALA 5 HA ALA 5 -5.647 -1.660 -5.447
34 1HB ALA 5 HB1 ALA 5 -3.643 -0.532 -7.401
35 2HB ALA 5 HB2 ALA 5 -5.387 -0.470 -7.655
36 3HB ALA 5 HB3 ALA 5 -4.567 -2.027 -7.545
37 H GLU 6 HN GLU 6 -4.546 -3.192 -4.379
38 HA GLU 6 HA GLU 6 -2.240 -2.575 -2.904
39 1HB GLU 6 HB2 GLU 6 -3.403 -5.287 -3.597
40 2HB GLU 6 HB1 GLU 6 -2.126 -5.014 -2.435
41 1HG GLU 6 HG2 GLU 6 -4.070 -5.250 -1.169
42 2HG GLU 6 HG1 GLU 6 -3.718 -3.528 -1.180
43 H CYS 7 HN CYS 7 -0.115 -3.096 -3.209
44 HA CYS 7 HA CYS 7 0.933 -2.875 -5.755
45 1HB CYS 7 HB2 CYS 7 2.210 -2.543 -3.625
46 2HB CYS 7 HB1 CYS 7 2.305 -4.294 -3.461
47 HA PRO 8 HA PRO 8 -0.013 -6.713 -7.763
48 1HB PRO 8 HB2 PRO 8 2.498 -6.058 -9.235
49 2HB PRO 8 HB1 PRO 8 0.903 -6.487 -9.865
50 1HG PRO 8 HG2 PRO 8 1.743 -3.964 -9.920
51 2HG PRO 8 HG1 PRO 8 0.055 -4.351 -9.538
52 1HD PRO 8 HD2 PRO 8 2.266 -3.508 -7.721
53 2HD PRO 8 HD1 PRO 8 0.534 -3.126 -7.647
54 H THR 9 HN THR 9 3.361 -6.016 -6.908
55 HA THR 9 HA THR 9 3.897 -8.864 -6.600
56 HB THR 9 HB THR 9 6.238 -8.114 -6.112
57 HG1 THR 9 HG1 THR 9 5.287 -5.870 -5.546
58 1HG2 THR 9 HG21 THR 9 4.900 -8.247 -8.549
59 2HG2 THR 9 HG22 THR 9 6.645 -8.293 -8.301
60 3HG2 THR 9 HG23 THR 9 5.844 -6.759 -8.642
61 H TRP 10 HN TRP 10 2.024 -8.142 -4.821
62 HA TRP 10 HA TRP 10 3.399 -8.492 -2.301
63 1HB TRP 10 HB2 TRP 10 3.137 -5.967 -2.744
64 2HB TRP 10 HB1 TRP 10 1.413 -6.234 -2.499
65 HD1 TRP 10 HD1 TRP 10 0.775 -7.364 -0.008
66 HE1 TRP 10 HE1 TRP 10 1.842 -6.849 2.290
67 HE3 TRP 10 HE3 TRP 10 5.131 -5.229 -1.605
68 HZ2 TRP 10 HZ2 TRP 10 4.232 -5.654 3.277
69 HZ3 TRP 10 HZ3 TRP 10 6.741 -4.418 0.065
70 HH2 TRP 10 HH2 TRP 10 6.298 -4.629 2.453
71 H ASP 11 HN ASP 11 2.247 -9.694 -0.939
72 HA ASP 11 HA ASP 11 -0.632 -9.957 -1.195
73 1HB ASP 11 HB2 ASP 11 -0.470 -12.457 -1.309
74 2HB ASP 11 HB1 ASP 11 0.093 -11.644 -2.764
75 H SER 12 HN SER 12 2.347 -10.578 0.428
76 HA SER 12 HA SER 12 1.307 -11.863 2.714
77 1HB SER 12 HB2 SER 12 3.925 -10.394 2.384
78 2HB SER 12 HB1 SER 12 3.542 -11.596 3.618
79 HG SER 12 HG SER 12 3.062 -12.498 1.067
80 H VAL 13 HN VAL 13 1.907 -10.951 4.927
81 HA VAL 13 HA VAL 13 0.294 -8.625 5.377
82 HB VAL 13 HB VAL 13 1.884 -10.392 7.250
83 1HG1 VAL 13 HG11 VAL 13 0.512 -9.349 9.052
84 2HG1 VAL 13 HG12 VAL 13 -0.006 -8.136 7.882
85 3HG1 VAL 13 HG13 VAL 13 1.697 -8.267 8.320
86 1HG2 VAL 13 HG21 VAL 13 -0.826 -10.479 6.124
87 2HG2 VAL 13 HG22 VAL 13 -0.727 -10.763 7.862
88 3HG2 VAL 13 HG23 VAL 13 0.190 -11.778 6.749
89 H CYS 14 HN CYS 14 0.945 -6.599 5.688
90 HA CYS 14 HA CYS 14 3.753 -5.949 5.436
91 1HB CYS 14 HB2 CYS 14 2.499 -4.466 4.184
92 2HB CYS 14 HB1 CYS 14 1.192 -4.411 5.364
93 H ILE 15 HN ILE 15 5.066 -5.184 6.984
94 HA ILE 15 HA ILE 15 4.006 -5.087 9.712
95 HB ILE 15 HB ILE 15 6.878 -5.249 8.764
96 1HG1 ILE 15 HG12 ILE 15 6.645 -7.503 10.083
97 2HG1 ILE 15 HG11 ILE 15 4.925 -7.290 9.782
98 1HG2 ILE 15 HG21 ILE 15 6.076 -5.714 11.593
99 2HG2 ILE 15 HG22 ILE 15 6.242 -4.057 11.014
100 3HG2 ILE 15 HG23 ILE 15 7.614 -5.162 10.930
101 1HD1 ILE 15 HD11 ILE 15 5.356 -8.449 7.921
102 2HD1 ILE 15 HD12 ILE 15 7.079 -8.074 7.963
103 3HD1 ILE 15 HD13 ILE 15 5.938 -6.905 7.300
104 H ASN 16 HN ASN 16 6.182 -3.294 7.546
105 HA ASN 16 HA ASN 16 5.529 -0.841 9.032
106 1HB ASN 16 HB2 ASN 16 7.813 -1.453 9.507
107 2HB ASN 16 HB1 ASN 16 8.160 -1.680 7.799
108 1HD2 ASN 16 HD21 ASN 16 9.773 -0.237 7.622
109 2HD2 ASN 16 HD22 ASN 16 9.588 1.463 7.853
110 H LYS 17 HN LYS 17 5.379 1.088 7.839
111 HA LYS 17 HA LYS 17 4.050 0.878 5.377
112 1HB LYS 17 HB2 LYS 17 3.591 2.691 6.899
113 2HB LYS 17 HB1 LYS 17 5.244 3.271 6.779
114 1HG LYS 17 HG2 LYS 17 4.874 3.849 4.430
115 2HG LYS 17 HG1 LYS 17 3.214 3.261 4.550
116 1HD LYS 17 HD2 LYS 17 2.615 4.981 6.064
117 2HD LYS 17 HD1 LYS 17 4.298 5.429 6.334
118 1HE LYS 17 HE2 LYS 17 3.257 7.073 4.913
119 2HE LYS 17 HE1 LYS 17 4.444 6.168 3.980
120 1HZ LYS 17 HZ1 LYS 17 2.407 4.749 3.310
121 2HZ LYS 17 HZ2 LYS 17 2.644 6.253 2.567
122 3HZ LYS 17 HZ3 LYS 17 1.508 6.093 3.807
123 H LYS 18 HN LYS 18 7.446 1.573 6.081
124 HA LYS 18 HA LYS 18 8.252 2.703 3.702
125 1HB LYS 18 HB2 LYS 18 9.706 0.887 5.594
126 2HB LYS 18 HB1 LYS 18 10.485 1.482 4.135
127 1HG LYS 18 HG2 LYS 18 9.299 3.220 6.292
128 2HG LYS 18 HG1 LYS 18 11.012 2.830 6.123
129 1HD LYS 18 HD2 LYS 18 10.901 3.825 3.813
130 2HD LYS 18 HD1 LYS 18 9.280 4.393 4.214
131 1HE LYS 18 HE2 LYS 18 11.801 5.091 5.718
132 2HE LYS 18 HE1 LYS 18 10.999 6.128 4.541
133 1HZ LYS 18 HZ1 LYS 18 9.287 5.185 6.666
134 2HZ LYS 18 HZ2 LYS 18 9.456 6.738 6.020
135 3HZ LYS 18 HZ3 LYS 18 10.548 6.185 7.186
136 HA PRO 19 HA PRO 19 9.146 -1.800 1.788
137 1HB PRO 19 HB2 PRO 19 6.908 -3.115 3.282
138 2HB PRO 19 HB1 PRO 19 8.413 -3.821 2.688
139 1HG PRO 19 HG2 PRO 19 8.160 -3.266 5.253
140 2HG PRO 19 HG1 PRO 19 9.676 -2.874 4.416
141 1HD PRO 19 HD2 PRO 19 7.449 -1.064 5.253
142 2HD PRO 19 HD1 PRO 19 9.200 -0.779 5.269
143 H CYS 20 HN CYS 20 5.890 -0.968 2.896
144 HA CYS 20 HA CYS 20 4.500 -1.744 0.584
145 1HB CYS 20 HB2 CYS 20 3.443 -1.332 2.787
146 2HB CYS 20 HB1 CYS 20 3.767 0.388 2.606
147 H VAL 21 HN VAL 21 5.601 1.480 1.643
148 HA VAL 21 HA VAL 21 4.745 2.921 -0.588
149 HB VAL 21 HB VAL 21 7.168 3.450 1.150
150 1HG1 VAL 21 HG11 VAL 21 6.584 4.664 -1.239
151 2HG1 VAL 21 HG12 VAL 21 7.540 5.371 0.063
152 3HG1 VAL 21 HG13 VAL 21 5.820 5.736 -0.065
153 1HG2 VAL 21 HG21 VAL 21 5.452 3.575 2.652
154 2HG2 VAL 21 HG22 VAL 21 4.264 4.020 1.425
155 3HG2 VAL 21 HG23 VAL 21 5.414 5.220 2.016
156 H ALA 22 HN ALA 22 7.771 1.159 -0.038
157 HA ALA 22 HA ALA 22 9.109 1.968 -2.373
158 1HB ALA 22 HB1 ALA 22 10.702 0.449 -1.805
159 2HB ALA 22 HB2 ALA 22 9.525 -0.802 -1.404
160 3HB ALA 22 HB3 ALA 22 9.841 0.508 -0.267
161 H CYS 23 HN CYS 23 6.953 -0.770 -1.743
162 HA CYS 23 HA CYS 23 7.110 -1.946 -4.307
163 1HB CYS 23 HB2 CYS 23 6.080 -2.803 -2.032
164 2HB CYS 23 HB1 CYS 23 4.607 -2.076 -2.659
165 H CYS 24 HN CYS 24 4.899 0.396 -2.874
166 HA CYS 24 HA CYS 24 3.203 0.686 -5.103
167 1HB CYS 24 HB2 CYS 24 3.799 2.586 -2.834
168 2HB CYS 24 HB1 CYS 24 2.451 2.746 -3.951
169 H LYS 25 HN LYS 25 6.140 2.422 -4.125
170 HA LYS 25 HA LYS 25 5.939 4.446 -6.080
171 1HB LYS 25 HB2 LYS 25 8.268 3.379 -4.504
172 2HB LYS 25 HB1 LYS 25 8.460 4.666 -5.690
173 1HG LYS 25 HG2 LYS 25 6.660 4.744 -3.274
174 2HG LYS 25 HG1 LYS 25 8.211 5.570 -3.446
175 1HD LYS 25 HD2 LYS 25 7.379 7.054 -5.047
176 2HD LYS 25 HD1 LYS 25 5.990 6.029 -5.408
177 1HE LYS 25 HE2 LYS 25 5.277 7.965 -4.151
178 2HE LYS 25 HE1 LYS 25 5.080 6.511 -3.177
179 1HZ LYS 25 HZ1 LYS 25 7.389 8.360 -2.963
180 2HZ LYS 25 HZ2 LYS 25 7.039 7.052 -1.950
181 3HZ LYS 25 HZ3 LYS 25 6.030 8.410 -1.955
182 H LYS 26 HN LYS 26 7.611 1.299 -6.133
183 HA LYS 26 HA LYS 26 8.734 1.701 -8.709
184 1HB LYS 26 HB2 LYS 26 9.180 -0.696 -8.736
185 2HB LYS 26 HB1 LYS 26 9.606 -0.013 -7.173
186 1HG LYS 26 HG2 LYS 26 7.626 -0.906 -6.176
187 2HG LYS 26 HG1 LYS 26 7.024 -1.439 -7.744
188 1HD LYS 26 HD2 LYS 26 8.904 -2.996 -7.932
189 2HD LYS 26 HD1 LYS 26 9.499 -2.463 -6.355
190 1HE LYS 26 HE2 LYS 26 7.503 -3.268 -5.278
191 2HE LYS 26 HE1 LYS 26 6.779 -3.669 -6.833
192 1HZ LYS 26 HZ1 LYS 26 8.799 -5.097 -5.301
193 2HZ LYS 26 HZ2 LYS 26 8.982 -5.107 -6.983
194 3HZ LYS 26 HZ3 LYS 26 7.554 -5.693 -6.284
195 H ALA 27 HN ALA 27 5.622 0.576 -7.579
196 HA ALA 27 HA ALA 27 4.793 -0.319 -10.211
197 1HB ALA 27 HB1 ALA 27 3.918 -0.746 -7.543
198 2HB ALA 27 HB2 ALA 27 3.380 -1.543 -9.021
199 3HB ALA 27 HB3 ALA 27 2.572 -0.078 -8.465
200 H LYS 28 HN LYS 28 5.322 2.611 -9.043
201 HA LYS 28 HA LYS 28 4.760 4.704 -9.600
202 1HB LYS 28 HB2 LYS 28 4.539 3.534 -11.928
203 2HB LYS 28 HB1 LYS 28 2.815 3.773 -11.683
204 1HG LYS 28 HG2 LYS 28 4.846 6.000 -11.575
205 2HG LYS 28 HG1 LYS 28 3.950 5.555 -13.025
206 1HD LYS 28 HD2 LYS 28 1.871 6.150 -12.013
207 2HD LYS 28 HD1 LYS 28 2.627 6.336 -10.432
208 1HE LYS 28 HE2 LYS 28 3.926 8.237 -11.299
209 2HE LYS 28 HE1 LYS 28 3.120 8.060 -12.858
210 1HZ LYS 28 HZ1 LYS 28 1.264 9.036 -12.095
211 2HZ LYS 28 HZ2 LYS 28 2.258 9.667 -10.887
212 3HZ LYS 28 HZ3 LYS 28 1.336 8.285 -10.583
213 H PHE 29 HN PHE 29 3.765 4.526 -7.475
214 HA PHE 29 HA PHE 29 0.952 5.338 -7.650
215 1HB PHE 29 HB2 PHE 29 2.088 3.348 -5.685
216 2HB PHE 29 HB1 PHE 29 0.620 4.255 -5.349
217 HD1 PHE 29 HD1 PHE 29 -1.447 3.609 -6.251
218 HD2 PHE 29 HD2 PHE 29 2.134 1.788 -7.655
219 HE1 PHE 29 HE1 PHE 29 -2.777 1.904 -7.421
220 HE2 PHE 29 HE2 PHE 29 0.807 0.085 -8.834
221 HZ PHE 29 HZ PHE 29 -1.651 0.140 -8.717
222 H SER 30 HN SER 30 0.372 6.956 -6.186
223 HA SER 30 HA SER 30 2.344 8.818 -5.558
224 1HB SER 30 HB2 SER 30 -0.380 8.649 -4.267
225 2HB SER 30 HB1 SER 30 0.600 10.094 -4.519
226 HG SER 30 HG SER 30 0.325 9.796 -6.772
227 H ASP 31 HN ASP 31 0.640 6.548 -3.424
228 HA ASP 31 HA ASP 31 2.904 6.444 -1.657
229 1HB ASP 31 HB2 ASP 31 1.875 8.475 -0.787
230 2HB ASP 31 HB1 ASP 31 0.321 7.657 -0.646
231 H GLY 32 HN GLY 32 2.820 4.738 -0.201
232 1HA GLY 32 HA2 GLY 32 0.690 2.791 -0.780
233 2HA GLY 32 HA1 GLY 32 2.332 2.374 -0.309
234 H HIS 33 HN HIS 33 -0.547 2.013 0.801
235 HA HIS 33 HA HIS 33 0.275 2.521 3.567
236 1HB HIS 33 HB2 HIS 33 -1.976 3.233 4.181
237 2HB HIS 33 HB1 HIS 33 -1.284 4.300 2.973
238 HD1 HIS 33 HD1 HIS 33 -4.130 2.046 3.616
239 HD2 HIS 33 HD2 HIS 33 -2.485 4.012 0.348
240 HE1 HIS 33 HE1 HIS 33 -5.878 1.946 1.815
241 H CYS 34 HN CYS 34 0.161 0.825 4.754
242 HA CYS 34 HA CYS 34 -0.858 -1.641 3.739
243 1HB CYS 34 HB2 CYS 34 0.161 -0.989 6.510
244 2HB CYS 34 HB1 CYS 34 0.005 -2.596 5.799
245 H SER 35 HN SER 35 -2.702 -2.716 4.278
246 HA SER 35 HA SER 35 -4.828 -1.153 5.340
247 1HB SER 35 HB2 SER 35 -6.109 -3.373 5.075
248 2HB SER 35 HB1 SER 35 -5.470 -2.607 3.621
249 HG SER 35 HG SER 35 -3.810 -4.072 3.580
250 H LYS 36 HN LYS 36 -6.308 -3.170 6.706
251 HA LYS 36 HA LYS 36 -4.739 -3.451 9.178
252 1HB LYS 36 HB2 LYS 36 -6.350 -1.603 9.373
253 2HB LYS 36 HB1 LYS 36 -7.660 -2.699 8.956
254 1HG LYS 36 HG2 LYS 36 -7.213 -3.996 10.987
255 2HG LYS 36 HG1 LYS 36 -5.918 -2.874 11.408
256 1HD LYS 36 HD2 LYS 36 -8.817 -2.114 11.052
257 2HD LYS 36 HD1 LYS 36 -8.034 -2.408 12.605
258 1HE LYS 36 HE2 LYS 36 -6.468 -0.572 12.147
259 2HE LYS 36 HE1 LYS 36 -7.278 -0.274 10.610
260 1HZ LYS 36 HZ1 LYS 36 -8.658 -0.139 13.232
261 2HZ LYS 36 HZ2 LYS 36 -9.245 0.379 11.733
262 3HZ LYS 36 HZ3 LYS 36 -7.970 1.208 12.473
263 H ILE 37 HN ILE 37 -7.582 -4.659 7.399
264 HA ILE 37 HA ILE 37 -7.945 -6.946 9.010
265 HB ILE 37 HB ILE 37 -8.799 -6.549 6.134
266 1HG1 ILE 37 HG12 ILE 37 -11.076 -6.204 7.386
267 2HG1 ILE 37 HG11 ILE 37 -10.052 -5.806 8.760
268 1HG2 ILE 37 HG21 ILE 37 -8.808 -8.895 6.771
269 2HG2 ILE 37 HG22 ILE 37 -10.456 -8.293 6.593
270 3HG2 ILE 37 HG23 ILE 37 -9.768 -8.518 8.201
271 1HD1 ILE 37 HD11 ILE 37 -10.920 -4.087 6.775
272 2HD1 ILE 37 HD12 ILE 37 -9.228 -4.389 6.382
273 3HD1 ILE 37 HD13 ILE 37 -9.667 -3.770 7.975
274 H LEU 38 HN LEU 38 -6.872 -6.951 5.598
275 HA LEU 38 HA LEU 38 -5.546 -9.481 6.018
276 1HB LEU 38 HB2 LEU 38 -6.769 -8.806 3.888
277 2HB LEU 38 HB1 LEU 38 -5.410 -7.753 3.550
278 HG LEU 38 HG LEU 38 -3.905 -9.637 3.398
279 1HD1 LEU 38 HD11 LEU 38 -4.870 -11.050 5.125
280 2HD1 LEU 38 HD12 LEU 38 -4.719 -11.942 3.611
281 3HD1 LEU 38 HD13 LEU 38 -6.293 -11.333 4.122
282 1HD2 LEU 38 HD21 LEU 38 -4.547 -9.735 1.275
283 2HD2 LEU 38 HD22 LEU 38 -6.193 -9.273 1.708
284 3HD2 LEU 38 HD23 LEU 38 -5.721 -10.972 1.726
285 H ARG 39 HN ARG 39 -4.817 -6.191 6.165
286 HA ARG 39 HA ARG 39 -2.983 -4.976 6.642
287 1HB ARG 39 HB2 ARG 39 -2.807 -6.686 8.440
288 2HB ARG 39 HB1 ARG 39 -1.762 -7.636 7.398
289 1HG ARG 39 HG2 ARG 39 -0.514 -6.371 9.073
290 2HG ARG 39 HG1 ARG 39 -0.088 -5.897 7.429
291 1HD ARG 39 HD2 ARG 39 -1.614 -3.962 7.640
292 2HD ARG 39 HD1 ARG 39 -1.913 -4.419 9.318
293 HE ARG 39 HE ARG 39 0.842 -4.220 9.005
294 1HH1 ARG 39 HH11 ARG 39 -1.926 -2.093 8.729
295 2HH1 ARG 39 HH12 ARG 39 -1.066 -0.691 9.280
296 1HH2 ARG 39 HH21 ARG 39 1.992 -2.375 9.720
297 2HH2 ARG 39 HH22 ARG 39 1.174 -0.853 9.846
298 H ARG 40 HN ARG 40 -3.330 -6.246 3.955
299 HA ARG 40 HA ARG 40 -0.617 -6.591 3.016
300 1HB ARG 40 HB2 ARG 40 -1.645 -6.823 0.772
301 2HB ARG 40 HB1 ARG 40 -2.292 -7.951 1.952
302 1HG ARG 40 HG2 ARG 40 -4.281 -6.591 2.201
303 2HG ARG 40 HG1 ARG 40 -3.625 -5.401 1.071
304 1HD ARG 40 HD2 ARG 40 -3.577 -7.109 -0.686
305 2HD ARG 40 HD1 ARG 40 -4.249 -8.285 0.442
306 HE ARG 40 HE ARG 40 -5.976 -6.091 0.347
307 1HH1 ARG 40 HH11 ARG 40 -4.828 -8.637 -1.752
308 2HH1 ARG 40 HH12 ARG 40 -6.261 -8.670 -2.722
309 1HH2 ARG 40 HH21 ARG 40 -7.873 -6.112 -0.934
310 2HH2 ARG 40 HH22 ARG 40 -8.006 -7.230 -2.250
311 H CYS 41 HN CYS 41 0.199 -5.264 1.198
312 HA CYS 41 HA CYS 41 0.080 -2.504 1.918
313 1HB CYS 41 HB2 CYS 41 2.186 -3.447 1.273
314 2HB CYS 41 HB1 CYS 41 1.534 -3.983 -0.271
315 H LEU 42 HN LEU 42 -1.624 -1.303 1.360
316 HA LEU 42 HA LEU 42 -2.869 -1.629 -1.271
317 1HB LEU 42 HB2 LEU 42 -3.586 -0.195 1.262
318 2HB LEU 42 HB1 LEU 42 -4.287 0.363 -0.243
319 HG LEU 42 HG LEU 42 -5.260 -1.905 -0.578
320 1HD1 LEU 42 HD11 LEU 42 -4.740 -3.656 0.684
321 2HD1 LEU 42 HD12 LEU 42 -4.998 -2.749 2.174
322 3HD1 LEU 42 HD13 LEU 42 -3.437 -2.677 1.357
323 1HD2 LEU 42 HD21 LEU 42 -6.435 -1.459 1.972
324 2HD2 LEU 42 HD22 LEU 42 -7.058 -1.034 0.378
325 3HD2 LEU 42 HD23 LEU 42 -6.035 0.103 1.257
326 H CYS 43 HN CYS 43 -2.265 -0.345 -2.939
327 HA CYS 43 HA CYS 43 -0.636 2.002 -2.290
328 1HB CYS 43 HB2 CYS 43 -0.940 0.535 -4.914
329 2HB CYS 43 HB1 CYS 43 0.132 1.894 -4.618
330 H THR 44 HN THR 44 -1.230 4.012 -2.863
331 HA THR 44 HA THR 44 -3.753 4.298 -4.356
332 HB THR 44 HB THR 44 -3.757 6.565 -2.934
333 HG1 THR 44 HG1 THR 44 -1.800 5.749 -1.795
334 1HG2 THR 44 HG21 THR 44 -4.810 4.416 -1.278
335 2HG2 THR 44 HG22 THR 44 -5.236 4.230 -2.980
336 3HG2 THR 44 HG23 THR 44 -5.659 5.711 -2.122
337 H LYS 45 HN LYS 45 -3.827 5.881 -5.912
338 HA LYS 45 HA LYS 45 -1.667 7.790 -6.159
339 1HB LYS 45 HB2 LYS 45 -0.915 7.106 -8.339
340 2HB LYS 45 HB1 LYS 45 -0.705 5.784 -7.204
341 1HG LYS 45 HG2 LYS 45 -2.630 4.646 -8.101
342 2HG LYS 45 HG1 LYS 45 -2.981 6.016 -9.164
343 1HD LYS 45 HD2 LYS 45 -0.990 5.671 -10.405
344 2HD LYS 45 HD1 LYS 45 -0.374 4.518 -9.224
345 1HE LYS 45 HE2 LYS 45 -2.361 3.065 -9.817
346 2HE LYS 45 HE1 LYS 45 -2.628 4.157 -11.179
347 1HZ LYS 45 HZ1 LYS 45 0.095 3.281 -10.973
348 2HZ LYS 45 HZ2 LYS 45 -0.950 3.249 -12.305
349 3HZ LYS 45 HZ3 LYS 45 -0.982 1.990 -11.177
350 H GLU 46 HN GLU 46 -1.883 8.822 -8.465
351 HA GLU 46 HA GLU 46 -4.480 10.036 -8.460
352 1HB GLU 46 HB2 GLU 46 -3.546 11.572 -10.074
353 2HB GLU 46 HB1 GLU 46 -2.395 11.334 -8.769
354 1HG GLU 46 HG2 GLU 46 -2.181 9.718 -11.265
355 2HG GLU 46 HG1 GLU 46 -1.589 11.374 -11.234
356 H CYS 47 HN CYS 47 -5.915 10.131 -10.155
357 HA CYS 47 HA CYS 47 -5.685 8.886 -12.637
358 1HB CYS 47 HB2 CYS 47 -7.118 6.943 -12.375
359 2HB CYS 47 HB1 CYS 47 -5.732 6.794 -11.302
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 -12.733 10.393 -7.825
2 2H ALA 1 HT2 ALA 1 -12.903 9.914 -9.440
3 3H ALA 1 HT3 ALA 1 -13.302 11.491 -8.980
4 HA ALA 1 HA ALA 1 -10.988 10.780 -10.072
5 1HB ALA 1 HB1 ALA 1 -12.097 13.068 -8.725
6 2HB ALA 1 HB2 ALA 1 -10.984 13.003 -10.091
7 3HB ALA 1 HB3 ALA 1 -10.359 12.963 -8.442
8 H THR 2 HN THR 2 -11.272 8.790 -8.111
9 HA THR 2 HA THR 2 -8.676 8.956 -6.848
10 HB THR 2 HB THR 2 -11.090 8.334 -5.132
11 HG1 THR 2 HG1 THR 2 -9.717 10.759 -5.614
12 1HG2 THR 2 HG21 THR 2 -8.193 8.189 -4.784
13 2HG2 THR 2 HG22 THR 2 -9.483 7.445 -3.840
14 3HG2 THR 2 HG23 THR 2 -9.000 9.110 -3.515
15 H CYS 3 HN CYS 3 -7.713 7.034 -7.112
16 HA CYS 3 HA CYS 3 -9.439 4.689 -7.537
17 1HB CYS 3 HB2 CYS 3 -6.861 5.525 -8.830
18 2HB CYS 3 HB1 CYS 3 -7.322 3.822 -8.785
19 H LYS 4 HN LYS 4 -9.076 2.859 -6.426
20 HA LYS 4 HA LYS 4 -6.767 2.738 -4.601
21 1HB LYS 4 HB2 LYS 4 -8.895 3.524 -3.454
22 2HB LYS 4 HB1 LYS 4 -9.597 1.963 -3.838
23 1HG LYS 4 HG2 LYS 4 -7.108 2.305 -2.176
24 2HG LYS 4 HG1 LYS 4 -8.732 2.219 -1.502
25 1HD LYS 4 HD2 LYS 4 -7.376 0.072 -3.136
26 2HD LYS 4 HD1 LYS 4 -7.593 0.055 -1.388
27 1HE LYS 4 HE2 LYS 4 -9.966 -0.106 -1.611
28 2HE LYS 4 HE1 LYS 4 -9.880 0.190 -3.346
29 1HZ LYS 4 HZ1 LYS 4 -8.452 -2.129 -2.224
30 2HZ LYS 4 HZ2 LYS 4 -9.135 -1.923 -3.760
31 3HZ LYS 4 HZ3 LYS 4 -10.131 -2.222 -2.431
32 H ALA 5 HN ALA 5 -5.754 0.866 -4.669
33 HA ALA 5 HA ALA 5 -7.088 -1.626 -5.179
34 1HB ALA 5 HB1 ALA 5 -6.712 -1.837 -7.366
35 2HB ALA 5 HB2 ALA 5 -4.985 -1.603 -7.099
36 3HB ALA 5 HB3 ALA 5 -6.026 -0.213 -7.405
37 H GLU 6 HN GLU 6 -5.955 -3.254 -4.210
38 HA GLU 6 HA GLU 6 -3.767 -2.585 -2.559
39 1HB GLU 6 HB2 GLU 6 -4.760 -5.327 -3.387
40 2HB GLU 6 HB1 GLU 6 -3.592 -5.022 -2.124
41 1HG GLU 6 HG2 GLU 6 -5.850 -5.487 -1.266
42 2HG GLU 6 HG1 GLU 6 -5.225 -3.918 -0.771
43 H CYS 7 HN CYS 7 -1.621 -2.871 -2.817
44 HA CYS 7 HA CYS 7 -0.493 -2.697 -5.337
45 1HB CYS 7 HB2 CYS 7 0.679 -2.127 -3.205
46 2HB CYS 7 HB1 CYS 7 0.894 -3.849 -2.906
47 HA PRO 8 HA PRO 8 -1.041 -6.739 -7.089
48 1HB PRO 8 HB2 PRO 8 1.349 -5.901 -8.660
49 2HB PRO 8 HB1 PRO 8 -0.208 -6.521 -9.223
50 1HG PRO 8 HG2 PRO 8 0.373 -3.934 -9.438
51 2HG PRO 8 HG1 PRO 8 -1.260 -4.465 -8.991
52 1HD PRO 8 HD2 PRO 8 0.902 -3.325 -7.274
53 2HD PRO 8 HD1 PRO 8 -0.855 -3.081 -7.189
54 H THR 9 HN THR 9 2.236 -5.586 -6.349
55 HA THR 9 HA THR 9 3.132 -8.319 -5.919
56 HB THR 9 HB THR 9 5.355 -7.203 -5.439
57 HG1 THR 9 HG1 THR 9 4.162 -5.079 -5.067
58 1HG2 THR 9 HG21 THR 9 5.285 -6.251 -8.005
59 2HG2 THR 9 HG22 THR 9 3.917 -7.363 -7.983
60 3HG2 THR 9 HG23 THR 9 5.528 -7.939 -7.554
61 H TRP 10 HN TRP 10 1.168 -7.665 -4.141
62 HA TRP 10 HA TRP 10 2.651 -7.694 -1.628
63 1HB TRP 10 HB2 TRP 10 1.859 -5.326 -2.129
64 2HB TRP 10 HB1 TRP 10 0.216 -5.941 -1.967
65 HD1 TRP 10 HD1 TRP 10 -0.598 -6.648 0.491
66 HE1 TRP 10 HE1 TRP 10 0.302 -6.026 2.837
67 HE3 TRP 10 HE3 TRP 10 3.950 -4.759 -0.863
68 HZ2 TRP 10 HZ2 TRP 10 2.645 -4.850 3.944
69 HZ3 TRP 10 HZ3 TRP 10 5.443 -3.890 0.883
70 HH2 TRP 10 HH2 TRP 10 4.803 -3.940 3.234
71 H ASP 11 HN ASP 11 2.022 -9.431 -0.571
72 HA ASP 11 HA ASP 11 -0.792 -10.084 -0.342
73 1HB ASP 11 HB2 ASP 11 0.224 -11.313 -2.391
74 2HB ASP 11 HB1 ASP 11 1.074 -12.290 -1.197
75 H SER 12 HN SER 12 0.596 -9.040 1.595
76 HA SER 12 HA SER 12 0.858 -11.194 3.509
77 1HB SER 12 HB2 SER 12 3.083 -10.230 4.295
78 2HB SER 12 HB1 SER 12 3.124 -11.120 2.773
79 HG SER 12 HG SER 12 3.845 -8.600 3.229
80 H VAL 13 HN VAL 13 1.339 -10.223 5.738
81 HA VAL 13 HA VAL 13 -0.596 -8.155 6.209
82 HB VAL 13 HB VAL 13 1.262 -9.550 8.150
83 1HG1 VAL 13 HG11 VAL 13 -1.290 -8.096 8.798
84 2HG1 VAL 13 HG12 VAL 13 0.295 -7.326 8.869
85 3HG1 VAL 13 HG13 VAL 13 -0.064 -8.702 9.912
86 1HG2 VAL 13 HG21 VAL 13 -0.597 -10.818 6.747
87 2HG2 VAL 13 HG22 VAL 13 -1.639 -10.157 8.007
88 3HG2 VAL 13 HG23 VAL 13 -0.282 -11.198 8.440
89 H CYS 14 HN CYS 14 -0.235 -6.064 6.573
90 HA CYS 14 HA CYS 14 2.207 -4.849 5.924
91 1HB CYS 14 HB2 CYS 14 -0.424 -3.982 6.903
92 2HB CYS 14 HB1 CYS 14 0.907 -2.920 7.339
93 H ILE 15 HN ILE 15 3.925 -4.312 7.061
94 HA ILE 15 HA ILE 15 3.940 -4.822 9.948
95 HB ILE 15 HB ILE 15 6.282 -4.356 8.083
96 1HG1 ILE 15 HG12 ILE 15 5.118 -6.428 7.507
97 2HG1 ILE 15 HG11 ILE 15 6.671 -6.784 8.253
98 1HG2 ILE 15 HG21 ILE 15 7.577 -4.275 9.881
99 2HG2 ILE 15 HG22 ILE 15 6.924 -5.805 10.467
100 3HG2 ILE 15 HG23 ILE 15 6.130 -4.287 10.888
101 1HD1 ILE 15 HD11 ILE 15 5.548 -7.279 10.359
102 2HD1 ILE 15 HD12 ILE 15 4.935 -8.286 9.047
103 3HD1 ILE 15 HD13 ILE 15 3.991 -6.909 9.618
104 H ASN 16 HN ASN 16 4.229 -2.377 7.527
105 HA ASN 16 HA ASN 16 3.891 -0.241 9.374
106 1HB ASN 16 HB2 ASN 16 6.349 -0.748 9.627
107 2HB ASN 16 HB1 ASN 16 6.556 -0.366 7.924
108 1HD2 ASN 16 HD21 ASN 16 6.548 0.826 11.050
109 2HD2 ASN 16 HD22 ASN 16 6.588 2.515 10.682
110 H LYS 17 HN LYS 17 3.762 1.866 8.164
111 HA LYS 17 HA LYS 17 2.330 1.523 5.742
112 1HB LYS 17 HB2 LYS 17 2.009 3.386 7.429
113 2HB LYS 17 HB1 LYS 17 3.469 4.121 6.780
114 1HG LYS 17 HG2 LYS 17 2.376 4.195 4.550
115 2HG LYS 17 HG1 LYS 17 0.896 3.597 5.301
116 1HD LYS 17 HD2 LYS 17 0.983 5.580 6.836
117 2HD LYS 17 HD1 LYS 17 2.318 6.196 5.863
118 1HE LYS 17 HE2 LYS 17 -0.478 5.615 4.882
119 2HE LYS 17 HE1 LYS 17 0.196 7.211 5.200
120 1HZ LYS 17 HZ1 LYS 17 1.848 6.776 3.448
121 2HZ LYS 17 HZ2 LYS 17 0.264 6.747 2.851
122 3HZ LYS 17 HZ3 LYS 17 1.096 5.297 3.115
123 H LYS 18 HN LYS 18 5.658 2.406 6.485
124 HA LYS 18 HA LYS 18 6.490 3.491 4.083
125 1HB LYS 18 HB2 LYS 18 7.752 2.922 6.375
126 2HB LYS 18 HB1 LYS 18 8.360 1.591 5.403
127 1HG LYS 18 HG2 LYS 18 8.567 4.493 4.627
128 2HG LYS 18 HG1 LYS 18 9.837 3.583 5.442
129 1HD LYS 18 HD2 LYS 18 8.661 2.855 2.760
130 2HD LYS 18 HD1 LYS 18 10.150 3.774 2.981
131 1HE LYS 18 HE2 LYS 18 11.121 1.879 4.205
132 2HE LYS 18 HE1 LYS 18 9.636 0.964 3.953
133 1HZ LYS 18 HZ1 LYS 18 11.785 0.926 2.318
134 2HZ LYS 18 HZ2 LYS 18 10.768 2.023 1.529
135 3HZ LYS 18 HZ3 LYS 18 10.220 0.461 1.873
136 HA PRO 19 HA PRO 19 7.609 -1.098 2.474
137 1HB PRO 19 HB2 PRO 19 5.349 -2.373 3.974
138 2HB PRO 19 HB1 PRO 19 6.886 -3.082 3.471
139 1HG PRO 19 HG2 PRO 19 6.551 -2.377 5.986
140 2HG PRO 19 HG1 PRO 19 8.077 -1.987 5.168
141 1HD PRO 19 HD2 PRO 19 5.767 -0.204 5.824
142 2HD PRO 19 HD1 PRO 19 7.508 0.139 5.881
143 H CYS 20 HN CYS 20 4.275 -0.368 3.429
144 HA CYS 20 HA CYS 20 3.009 -1.288 1.103
145 1HB CYS 20 HB2 CYS 20 1.810 -0.880 3.197
146 2HB CYS 20 HB1 CYS 20 2.147 0.842 3.077
147 H VAL 21 HN VAL 21 3.946 2.027 2.056
148 HA VAL 21 HA VAL 21 3.105 3.334 -0.270
149 HB VAL 21 HB VAL 21 5.444 4.050 1.518
150 1HG1 VAL 21 HG11 VAL 21 3.886 5.830 -0.353
151 2HG1 VAL 21 HG12 VAL 21 5.486 5.171 -0.696
152 3HG1 VAL 21 HG13 VAL 21 5.262 6.288 0.650
153 1HG2 VAL 21 HG21 VAL 21 2.593 5.027 1.576
154 2HG2 VAL 21 HG22 VAL 21 3.894 5.517 2.660
155 3HG2 VAL 21 HG23 VAL 21 3.292 3.860 2.698
156 H ALA 22 HN ALA 22 6.142 1.684 0.468
157 HA ALA 22 HA ALA 22 7.562 2.453 -1.840
158 1HB ALA 22 HB1 ALA 22 8.366 1.225 0.307
159 2HB ALA 22 HB2 ALA 22 9.151 0.884 -1.235
160 3HB ALA 22 HB3 ALA 22 7.950 -0.236 -0.589
161 H CYS 23 HN CYS 23 5.452 -0.312 -1.179
162 HA CYS 23 HA CYS 23 5.754 -1.603 -3.673
163 1HB CYS 23 HB2 CYS 23 4.653 -2.428 -1.452
164 2HB CYS 23 HB1 CYS 23 3.198 -1.674 -2.087
165 H CYS 24 HN CYS 24 3.445 0.759 -2.448
166 HA CYS 24 HA CYS 24 1.865 0.920 -4.775
167 1HB CYS 24 HB2 CYS 24 2.309 2.916 -2.553
168 2HB CYS 24 HB1 CYS 24 1.052 3.049 -3.775
169 H LYS 25 HN LYS 25 4.775 2.658 -3.765
170 HA LYS 25 HA LYS 25 4.681 4.606 -5.808
171 1HB LYS 25 HB2 LYS 25 6.905 3.568 -4.075
172 2HB LYS 25 HB1 LYS 25 7.212 4.751 -5.342
173 1HG LYS 25 HG2 LYS 25 5.274 5.099 -3.060
174 2HG LYS 25 HG1 LYS 25 6.887 5.811 -3.162
175 1HD LYS 25 HD2 LYS 25 6.274 7.303 -4.801
176 2HD LYS 25 HD1 LYS 25 4.970 6.276 -5.396
177 1HE LYS 25 HE2 LYS 25 4.059 8.235 -4.308
178 2HE LYS 25 HE1 LYS 25 3.665 6.789 -3.383
179 1HZ LYS 25 HZ1 LYS 25 5.468 7.320 -1.863
180 2HZ LYS 25 HZ2 LYS 25 4.353 8.589 -1.946
181 3HZ LYS 25 HZ3 LYS 25 5.836 8.713 -2.751
182 H LYS 26 HN LYS 26 6.251 1.413 -5.659
183 HA LYS 26 HA LYS 26 7.415 1.676 -8.247
184 1HB LYS 26 HB2 LYS 26 7.829 -0.755 -8.125
185 2HB LYS 26 HB1 LYS 26 8.369 0.085 -6.683
186 1HG LYS 26 HG2 LYS 26 7.384 -1.775 -5.789
187 2HG LYS 26 HG1 LYS 26 6.049 -0.625 -5.735
188 1HD LYS 26 HD2 LYS 26 5.050 -2.528 -6.611
189 2HD LYS 26 HD1 LYS 26 5.437 -1.596 -8.058
190 1HE LYS 26 HE2 LYS 26 6.081 -3.841 -8.485
191 2HE LYS 26 HE1 LYS 26 7.563 -2.922 -8.218
192 1HZ LYS 26 HZ1 LYS 26 7.487 -3.723 -5.877
193 2HZ LYS 26 HZ2 LYS 26 7.732 -4.947 -7.017
194 3HZ LYS 26 HZ3 LYS 26 6.206 -4.746 -6.308
195 H ALA 27 HN ALA 27 4.294 0.832 -7.069
196 HA ALA 27 HA ALA 27 3.400 -0.366 -9.549
197 1HB ALA 27 HB1 ALA 27 1.968 -1.314 -8.141
198 2HB ALA 27 HB2 ALA 27 1.170 0.250 -7.974
199 3HB ALA 27 HB3 ALA 27 2.441 -0.216 -6.844
200 H LYS 28 HN LYS 28 4.057 2.693 -8.626
201 HA LYS 28 HA LYS 28 3.706 4.721 -9.558
202 1HB LYS 28 HB2 LYS 28 3.512 3.320 -11.683
203 2HB LYS 28 HB1 LYS 28 1.772 3.471 -11.498
204 1HG LYS 28 HG2 LYS 28 1.965 5.902 -11.640
205 2HG LYS 28 HG1 LYS 28 3.714 5.751 -11.821
206 1HD LYS 28 HD2 LYS 28 1.630 4.641 -13.703
207 2HD LYS 28 HD1 LYS 28 2.634 6.065 -13.988
208 1HE LYS 28 HE2 LYS 28 4.634 4.699 -13.963
209 2HE LYS 28 HE1 LYS 28 3.684 3.269 -13.563
210 1HZ LYS 28 HZ1 LYS 28 2.554 3.473 -15.690
211 2HZ LYS 28 HZ2 LYS 28 4.225 3.332 -15.910
212 3HZ LYS 28 HZ3 LYS 28 3.476 4.839 -16.075
213 H PHE 29 HN PHE 29 2.320 4.139 -7.295
214 HA PHE 29 HA PHE 29 -0.286 5.440 -7.744
215 1HB PHE 29 HB2 PHE 29 0.538 3.399 -5.692
216 2HB PHE 29 HB1 PHE 29 -0.839 4.455 -5.411
217 HD1 PHE 29 HD1 PHE 29 -2.923 3.791 -6.111
218 HD2 PHE 29 HD2 PHE 29 0.508 2.089 -7.961
219 HE1 PHE 29 HE1 PHE 29 -4.371 2.248 -7.366
220 HE2 PHE 29 HE2 PHE 29 -0.933 0.547 -9.223
221 HZ PHE 29 HZ PHE 29 -3.376 0.624 -8.926
222 H SER 30 HN SER 30 -0.886 7.114 -6.357
223 HA SER 30 HA SER 30 1.091 8.923 -5.671
224 1HB SER 30 HB2 SER 30 -1.624 8.931 -4.380
225 2HB SER 30 HB1 SER 30 -0.642 10.305 -4.893
226 HG SER 30 HG SER 30 -1.288 10.047 -6.927
227 H ASP 31 HN ASP 31 -0.759 6.786 -3.496
228 HA ASP 31 HA ASP 31 1.441 6.600 -1.679
229 1HB ASP 31 HB2 ASP 31 0.660 8.791 -0.959
230 2HB ASP 31 HB1 ASP 31 -0.980 8.177 -0.774
231 H GLY 32 HN GLY 32 1.226 4.939 -0.219
232 1HA GLY 32 HA2 GLY 32 -1.144 3.252 -0.640
233 2HA GLY 32 HA1 GLY 32 0.455 2.657 -0.224
234 H HIS 33 HN HIS 33 -2.284 2.421 1.002
235 HA HIS 33 HA HIS 33 -1.424 3.030 3.742
236 1HB HIS 33 HB2 HIS 33 -3.765 3.615 4.340
237 2HB HIS 33 HB1 HIS 33 -3.042 4.753 3.216
238 HD1 HIS 33 HD1 HIS 33 -3.828 4.420 0.621
239 HD2 HIS 33 HD2 HIS 33 -6.135 2.544 3.526
240 HE1 HIS 33 HE1 HIS 33 -5.986 3.815 -0.511
241 H CYS 34 HN CYS 34 -1.643 1.383 5.081
242 HA CYS 34 HA CYS 34 -2.498 -1.150 4.074
243 1HB CYS 34 HB2 CYS 34 -1.679 -0.337 6.868
244 2HB CYS 34 HB1 CYS 34 -1.849 -1.992 6.286
245 H SER 35 HN SER 35 -4.305 -2.326 4.580
246 HA SER 35 HA SER 35 -6.585 -0.820 5.434
247 1HB SER 35 HB2 SER 35 -7.762 -3.064 5.090
248 2HB SER 35 HB1 SER 35 -6.990 -2.345 3.677
249 HG SER 35 HG SER 35 -5.353 -3.794 3.814
250 H LYS 36 HN LYS 36 -8.124 -2.718 6.780
251 HA LYS 36 HA LYS 36 -6.679 -2.947 9.331
252 1HB LYS 36 HB2 LYS 36 -8.797 -2.591 10.490
253 2HB LYS 36 HB1 LYS 36 -8.423 -1.240 9.432
254 1HG LYS 36 HG2 LYS 36 -10.037 -1.967 7.824
255 2HG LYS 36 HG1 LYS 36 -10.311 -3.469 8.710
256 1HD LYS 36 HD2 LYS 36 -11.176 -2.183 10.611
257 2HD LYS 36 HD1 LYS 36 -10.909 -0.686 9.719
258 1HE LYS 36 HE2 LYS 36 -12.705 -2.911 8.768
259 2HE LYS 36 HE1 LYS 36 -13.271 -1.528 9.703
260 1HZ LYS 36 HZ1 LYS 36 -12.929 -1.693 6.952
261 2HZ LYS 36 HZ2 LYS 36 -11.746 -0.621 7.514
262 3HZ LYS 36 HZ3 LYS 36 -13.377 -0.336 7.858
263 H ILE 37 HN ILE 37 -8.459 -4.632 6.940
264 HA ILE 37 HA ILE 37 -9.288 -6.810 8.617
265 HB ILE 37 HB ILE 37 -9.064 -6.899 5.609
266 1HG1 ILE 37 HG12 ILE 37 -11.407 -5.874 7.231
267 2HG1 ILE 37 HG11 ILE 37 -10.293 -4.850 6.332
268 1HG2 ILE 37 HG21 ILE 37 -9.545 -9.032 6.523
269 2HG2 ILE 37 HG22 ILE 37 -11.078 -8.399 5.925
270 3HG2 ILE 37 HG23 ILE 37 -10.723 -8.363 7.652
271 1HD1 ILE 37 HD11 ILE 37 -12.463 -6.610 5.360
272 2HD1 ILE 37 HD12 ILE 37 -11.030 -6.439 4.347
273 3HD1 ILE 37 HD13 ILE 37 -11.960 -5.013 4.808
274 H LEU 38 HN LEU 38 -7.738 -7.716 5.674
275 HA LEU 38 HA LEU 38 -5.981 -9.527 7.018
276 1HB LEU 38 HB2 LEU 38 -7.060 -9.903 4.771
277 2HB LEU 38 HB1 LEU 38 -5.942 -8.732 4.109
278 HG LEU 38 HG LEU 38 -4.053 -10.150 4.771
279 1HD1 LEU 38 HD11 LEU 38 -5.785 -11.309 6.528
280 2HD1 LEU 38 HD12 LEU 38 -4.219 -11.973 6.061
281 3HD1 LEU 38 HD13 LEU 38 -5.688 -12.528 5.257
282 1HD2 LEU 38 HD21 LEU 38 -4.962 -10.375 2.535
283 2HD2 LEU 38 HD22 LEU 38 -6.147 -11.547 3.112
284 3HD2 LEU 38 HD23 LEU 38 -4.429 -11.945 3.135
285 H ARG 39 HN ARG 39 -5.842 -6.326 6.560
286 HA ARG 39 HA ARG 39 -4.279 -4.723 6.834
287 1HB ARG 39 HB2 ARG 39 -3.444 -6.601 8.488
288 2HB ARG 39 HB1 ARG 39 -2.128 -6.739 7.331
289 1HG ARG 39 HG2 ARG 39 -1.446 -5.274 9.082
290 2HG ARG 39 HG1 ARG 39 -1.698 -4.309 7.626
291 1HD ARG 39 HD2 ARG 39 -2.624 -3.227 9.629
292 2HD ARG 39 HD1 ARG 39 -3.868 -3.599 8.435
293 HE ARG 39 HE ARG 39 -3.732 -5.739 10.217
294 1HH1 ARG 39 HH11 ARG 39 -4.614 -2.356 10.228
295 2HH1 ARG 39 HH12 ARG 39 -5.760 -2.522 11.517
296 1HH2 ARG 39 HH21 ARG 39 -5.262 -5.978 11.900
297 2HH2 ARG 39 HH22 ARG 39 -6.143 -4.598 12.461
298 H ARG 40 HN ARG 40 -4.800 -5.934 4.283
299 HA ARG 40 HA ARG 40 -2.390 -6.222 2.791
300 1HB ARG 40 HB2 ARG 40 -5.261 -5.751 2.026
301 2HB ARG 40 HB1 ARG 40 -3.988 -5.708 0.817
302 1HG ARG 40 HG2 ARG 40 -3.367 -8.011 1.426
303 2HG ARG 40 HG1 ARG 40 -4.707 -8.043 2.575
304 1HD ARG 40 HD2 ARG 40 -6.294 -7.683 0.768
305 2HD ARG 40 HD1 ARG 40 -4.974 -7.565 -0.393
306 HE ARG 40 HE ARG 40 -6.139 -9.952 0.664
307 1HH1 ARG 40 HH11 ARG 40 -3.228 -8.606 -0.766
308 2HH1 ARG 40 HH12 ARG 40 -2.577 -10.162 -1.192
309 1HH2 ARG 40 HH21 ARG 40 -5.242 -11.996 0.083
310 2HH2 ARG 40 HH22 ARG 40 -3.690 -12.052 -0.712
311 H CYS 41 HN CYS 41 -1.509 -4.754 1.265
312 HA CYS 41 HA CYS 41 -1.553 -2.017 2.169
313 1HB CYS 41 HB2 CYS 41 0.586 -2.949 1.611
314 2HB CYS 41 HB1 CYS 41 0.013 -3.461 0.028
315 H LEU 42 HN LEU 42 -3.292 -0.869 1.560
316 HA LEU 42 HA LEU 42 -4.445 -1.197 -1.090
317 1HB LEU 42 HB2 LEU 42 -5.164 0.344 1.383
318 2HB LEU 42 HB1 LEU 42 -5.878 0.808 -0.146
319 HG LEU 42 HG LEU 42 -6.885 -1.419 -0.358
320 1HD1 LEU 42 HD11 LEU 42 -6.768 -2.563 2.121
321 2HD1 LEU 42 HD12 LEU 42 -5.113 -2.005 1.881
322 3HD1 LEU 42 HD13 LEU 42 -5.858 -3.088 0.705
323 1HD2 LEU 42 HD21 LEU 42 -7.919 0.541 0.941
324 2HD2 LEU 42 HD22 LEU 42 -7.550 -0.408 2.381
325 3HD2 LEU 42 HD23 LEU 42 -8.623 -1.063 1.144
326 H CYS 43 HN CYS 43 -3.631 -0.090 -2.776
327 HA CYS 43 HA CYS 43 -2.064 2.305 -2.219
328 1HB CYS 43 HB2 CYS 43 -2.397 0.736 -4.782
329 2HB CYS 43 HB1 CYS 43 -1.351 2.133 -4.576
330 H THR 44 HN THR 44 -2.706 4.284 -2.694
331 HA THR 44 HA THR 44 -5.234 4.586 -4.170
332 HB THR 44 HB THR 44 -4.867 6.949 -2.779
333 HG1 THR 44 HG1 THR 44 -3.247 5.887 -1.493
334 1HG2 THR 44 HG21 THR 44 -6.610 5.648 -1.186
335 2HG2 THR 44 HG22 THR 44 -6.629 4.586 -2.595
336 3HG2 THR 44 HG23 THR 44 -7.035 6.294 -2.772
337 H LYS 45 HN LYS 45 -5.360 6.186 -5.714
338 HA LYS 45 HA LYS 45 -3.144 7.965 -6.176
339 1HB LYS 45 HB2 LYS 45 -2.370 7.130 -8.218
340 2HB LYS 45 HB1 LYS 45 -2.530 5.692 -7.221
341 1HG LYS 45 HG2 LYS 45 -4.596 5.106 -8.305
342 2HG LYS 45 HG1 LYS 45 -4.587 6.616 -9.217
343 1HD LYS 45 HD2 LYS 45 -2.660 4.311 -9.464
344 2HD LYS 45 HD1 LYS 45 -3.827 4.866 -10.665
345 1HE LYS 45 HE2 LYS 45 -1.376 6.333 -9.697
346 2HE LYS 45 HE1 LYS 45 -1.618 5.612 -11.286
347 1HZ LYS 45 HZ1 LYS 45 -2.350 8.189 -10.357
348 2HZ LYS 45 HZ2 LYS 45 -3.728 7.364 -10.899
349 3HZ LYS 45 HZ3 LYS 45 -2.405 7.565 -11.931
350 H GLU 46 HN GLU 46 -3.511 9.309 -8.093
351 HA GLU 46 HA GLU 46 -6.253 10.170 -8.145
352 1HB GLU 46 HB2 GLU 46 -5.422 12.037 -9.499
353 2HB GLU 46 HB1 GLU 46 -4.475 11.832 -8.038
354 1HG GLU 46 HG2 GLU 46 -3.649 10.912 -10.786
355 2HG GLU 46 HG1 GLU 46 -3.111 12.393 -10.002
356 H CYS 47 HN CYS 47 -7.601 10.246 -9.915
357 HA CYS 47 HA CYS 47 -6.916 9.355 -12.503
358 1HB CYS 47 HB2 CYS 47 -8.206 7.272 -12.560
359 2HB CYS 47 HB1 CYS 47 -6.869 7.149 -11.424
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 -12.694 8.163 -10.760
2 2H ALA 1 HT2 ALA 1 -13.391 9.663 -10.410
3 3H ALA 1 HT3 ALA 1 -12.893 8.651 -9.151
4 HA ALA 1 HA ALA 1 -10.835 9.296 -11.044
5 1HB ALA 1 HB1 ALA 1 -12.508 11.392 -10.168
6 2HB ALA 1 HB2 ALA 1 -10.982 11.511 -11.042
7 3HB ALA 1 HB3 ALA 1 -10.992 11.534 -9.279
8 H THR 2 HN THR 2 -11.201 7.285 -9.106
9 HA THR 2 HA THR 2 -8.926 7.829 -7.405
10 HB THR 2 HB THR 2 -11.489 6.874 -6.116
11 HG1 THR 2 HG1 THR 2 -10.422 9.482 -6.421
12 1HG2 THR 2 HG21 THR 2 -10.120 6.359 -4.430
13 2HG2 THR 2 HG22 THR 2 -9.736 8.073 -4.274
14 3HG2 THR 2 HG23 THR 2 -8.738 7.034 -5.292
15 H CYS 3 HN CYS 3 -7.661 6.085 -7.531
16 HA CYS 3 HA CYS 3 -8.939 3.487 -8.060
17 1HB CYS 3 HB2 CYS 3 -6.363 4.674 -9.052
18 2HB CYS 3 HB1 CYS 3 -6.584 2.924 -9.002
19 H LYS 4 HN LYS 4 -8.413 1.756 -6.825
20 HA LYS 4 HA LYS 4 -6.239 1.927 -4.902
21 1HB LYS 4 HB2 LYS 4 -7.977 2.981 -3.642
22 2HB LYS 4 HB1 LYS 4 -9.151 1.765 -4.123
23 1HG LYS 4 HG2 LYS 4 -7.692 0.092 -2.885
24 2HG LYS 4 HG1 LYS 4 -6.869 1.494 -2.197
25 1HD LYS 4 HD2 LYS 4 -8.666 0.616 -0.743
26 2HD LYS 4 HD1 LYS 4 -8.932 2.290 -1.236
27 1HE LYS 4 HE2 LYS 4 -10.976 0.867 -1.338
28 2HE LYS 4 HE1 LYS 4 -10.550 1.621 -2.872
29 1HZ LYS 4 HZ1 LYS 4 -9.951 -1.191 -2.113
30 2HZ LYS 4 HZ2 LYS 4 -9.571 -0.466 -3.595
31 3HZ LYS 4 HZ3 LYS 4 -11.188 -0.696 -3.155
32 H ALA 5 HN ALA 5 -5.244 0.066 -4.928
33 HA ALA 5 HA ALA 5 -6.616 -2.453 -4.737
34 1HB ALA 5 HB1 ALA 5 -5.342 -3.334 -6.804
35 2HB ALA 5 HB2 ALA 5 -5.271 -1.642 -7.296
36 3HB ALA 5 HB3 ALA 5 -6.832 -2.429 -7.064
37 H GLU 6 HN GLU 6 -5.130 -4.161 -4.188
38 HA GLU 6 HA GLU 6 -2.928 -3.246 -2.695
39 1HB GLU 6 HB2 GLU 6 -3.599 -6.078 -3.515
40 2HB GLU 6 HB1 GLU 6 -2.397 -5.623 -2.318
41 1HG GLU 6 HG2 GLU 6 -4.356 -4.385 -1.172
42 2HG GLU 6 HG1 GLU 6 -5.370 -5.429 -2.165
43 H CYS 7 HN CYS 7 -0.792 -3.336 -3.014
44 HA CYS 7 HA CYS 7 0.239 -2.808 -5.517
45 1HB CYS 7 HB2 CYS 7 1.354 -2.294 -3.347
46 2HB CYS 7 HB1 CYS 7 1.768 -3.997 -3.192
47 HA PRO 8 HA PRO 8 0.154 -6.745 -7.569
48 1HB PRO 8 HB2 PRO 8 2.283 -5.474 -9.210
49 2HB PRO 8 HB1 PRO 8 0.766 -6.224 -9.719
50 1HG PRO 8 HG2 PRO 8 1.051 -3.575 -9.732
51 2HG PRO 8 HG1 PRO 8 -0.482 -4.327 -9.251
52 1HD PRO 8 HD2 PRO 8 1.651 -3.109 -7.549
53 2HD PRO 8 HD1 PRO 8 -0.114 -3.055 -7.358
54 H THR 9 HN THR 9 3.260 -5.164 -6.894
55 HA THR 9 HA THR 9 4.594 -7.748 -6.788
56 HB THR 9 HB THR 9 6.649 -6.378 -6.359
57 HG1 THR 9 HG1 THR 9 5.105 -4.523 -5.640
58 1HG2 THR 9 HG21 THR 9 5.070 -5.638 -8.825
59 2HG2 THR 9 HG22 THR 9 6.039 -7.097 -8.623
60 3HG2 THR 9 HG23 THR 9 6.820 -5.515 -8.641
61 H TRP 10 HN TRP 10 2.664 -7.505 -4.828
62 HA TRP 10 HA TRP 10 4.329 -7.629 -2.441
63 1HB TRP 10 HB2 TRP 10 3.414 -5.319 -2.496
64 2HB TRP 10 HB1 TRP 10 1.786 -5.987 -2.550
65 HD1 TRP 10 HD1 TRP 10 1.011 -7.404 -0.305
66 HE1 TRP 10 HE1 TRP 10 1.645 -7.027 2.166
67 HE3 TRP 10 HE3 TRP 10 5.151 -4.486 -0.969
68 HZ2 TRP 10 HZ2 TRP 10 3.622 -5.645 3.632
69 HZ3 TRP 10 HZ3 TRP 10 6.340 -3.661 1.017
70 HH2 TRP 10 HH2 TRP 10 5.594 -4.233 3.267
71 H ASP 11 HN ASP 11 3.889 -9.435 -1.409
72 HA ASP 11 HA ASP 11 1.175 -10.379 -1.133
73 1HB ASP 11 HB2 ASP 11 2.246 -11.387 -3.293
74 2HB ASP 11 HB1 ASP 11 3.162 -12.383 -2.164
75 H SER 12 HN SER 12 2.304 -9.386 0.862
76 HA SER 12 HA SER 12 3.102 -11.615 2.551
77 1HB SER 12 HB2 SER 12 5.215 -10.561 1.695
78 2HB SER 12 HB1 SER 12 4.713 -9.047 2.446
79 HG SER 12 HG SER 12 5.884 -9.919 4.014
80 H VAL 13 HN VAL 13 3.209 -10.799 4.899
81 HA VAL 13 HA VAL 13 0.734 -9.447 5.429
82 HB VAL 13 HB VAL 13 2.845 -10.396 7.376
83 1HG1 VAL 13 HG11 VAL 13 1.423 -9.956 9.104
84 2HG1 VAL 13 HG12 VAL 13 -0.022 -10.126 8.106
85 3HG1 VAL 13 HG13 VAL 13 0.951 -8.658 8.006
86 1HG2 VAL 13 HG21 VAL 13 0.887 -11.829 5.796
87 2HG2 VAL 13 HG22 VAL 13 0.651 -12.084 7.525
88 3HG2 VAL 13 HG23 VAL 13 2.210 -12.447 6.785
89 H CYS 14 HN CYS 14 0.430 -7.399 5.850
90 HA CYS 14 HA CYS 14 2.489 -5.476 5.648
91 1HB CYS 14 HB2 CYS 14 0.356 -4.775 4.950
92 2HB CYS 14 HB1 CYS 14 -0.419 -5.373 6.412
93 H ILE 15 HN ILE 15 3.896 -4.903 7.121
94 HA ILE 15 HA ILE 15 3.371 -5.469 9.944
95 HB ILE 15 HB ILE 15 5.963 -4.691 8.589
96 1HG1 ILE 15 HG12 ILE 15 5.196 -6.891 7.847
97 2HG1 ILE 15 HG11 ILE 15 6.603 -7.051 8.892
98 1HG2 ILE 15 HG21 ILE 15 5.550 -4.219 11.117
99 2HG2 ILE 15 HG22 ILE 15 7.064 -4.957 10.595
100 3HG2 ILE 15 HG23 ILE 15 5.788 -5.959 11.286
101 1HD1 ILE 15 HD11 ILE 15 4.627 -7.309 10.704
102 2HD1 ILE 15 HD12 ILE 15 5.366 -8.661 9.846
103 3HD1 ILE 15 HD13 ILE 15 3.843 -7.981 9.274
104 H ASN 16 HN ASN 16 4.079 -2.868 7.701
105 HA ASN 16 HA ASN 16 3.046 -0.925 9.543
106 1HB ASN 16 HB2 ASN 16 5.564 -1.318 10.093
107 2HB ASN 16 HB1 ASN 16 5.860 -0.411 8.614
108 1HD2 ASN 16 HD21 ASN 16 4.728 -0.292 11.873
109 2HD2 ASN 16 HD22 ASN 16 4.636 1.431 12.006
110 H LYS 17 HN LYS 17 3.049 1.287 8.504
111 HA LYS 17 HA LYS 17 1.945 1.099 5.932
112 1HB LYS 17 HB2 LYS 17 1.455 2.863 7.677
113 2HB LYS 17 HB1 LYS 17 2.965 3.633 7.211
114 1HG LYS 17 HG2 LYS 17 2.099 3.847 4.901
115 2HG LYS 17 HG1 LYS 17 0.560 3.182 5.452
116 1HD LYS 17 HD2 LYS 17 0.430 5.061 7.099
117 2HD LYS 17 HD1 LYS 17 1.867 5.752 6.344
118 1HE LYS 17 HE2 LYS 17 -0.795 5.241 5.012
119 2HE LYS 17 HE1 LYS 17 -0.142 6.810 5.478
120 1HZ LYS 17 HZ1 LYS 17 0.481 6.802 3.312
121 2HZ LYS 17 HZ2 LYS 17 0.540 5.110 3.210
122 3HZ LYS 17 HZ3 LYS 17 1.815 5.957 3.929
123 H LYS 18 HN LYS 18 5.158 2.214 6.978
124 HA LYS 18 HA LYS 18 6.065 3.331 4.648
125 1HB LYS 18 HB2 LYS 18 8.328 2.017 5.594
126 2HB LYS 18 HB1 LYS 18 7.813 3.653 5.966
127 1HG LYS 18 HG2 LYS 18 6.609 2.832 7.927
128 2HG LYS 18 HG1 LYS 18 7.116 1.185 7.547
129 1HD LYS 18 HD2 LYS 18 9.446 1.809 7.835
130 2HD LYS 18 HD1 LYS 18 8.983 3.486 8.128
131 1HE LYS 18 HE2 LYS 18 8.204 1.124 9.837
132 2HE LYS 18 HE1 LYS 18 9.481 2.280 10.211
133 1HZ LYS 18 HZ1 LYS 18 7.632 3.008 11.410
134 2HZ LYS 18 HZ2 LYS 18 6.559 2.736 10.127
135 3HZ LYS 18 HZ3 LYS 18 7.659 4.022 10.055
136 HA PRO 19 HA PRO 19 7.807 -0.975 2.996
137 1HB PRO 19 HB2 PRO 19 5.680 -2.689 4.197
138 2HB PRO 19 HB1 PRO 19 7.372 -3.072 3.867
139 1HG PRO 19 HG2 PRO 19 6.579 -2.592 6.347
140 2HG PRO 19 HG1 PRO 19 8.128 -1.952 5.764
141 1HD PRO 19 HD2 PRO 19 5.521 -0.542 6.164
142 2HD PRO 19 HD1 PRO 19 7.172 0.029 6.479
143 H CYS 20 HN CYS 20 4.349 -0.761 3.721
144 HA CYS 20 HA CYS 20 3.387 -1.677 1.245
145 1HB CYS 20 HB2 CYS 20 1.983 -1.578 3.240
146 2HB CYS 20 HB1 CYS 20 2.135 0.172 3.297
147 H VAL 21 HN VAL 21 3.976 1.592 2.492
148 HA VAL 21 HA VAL 21 3.146 3.067 0.268
149 HB VAL 21 HB VAL 21 5.307 3.661 2.304
150 1HG1 VAL 21 HG11 VAL 21 4.735 5.024 -0.140
151 2HG1 VAL 21 HG12 VAL 21 5.921 5.423 1.103
152 3HG1 VAL 21 HG13 VAL 21 4.276 6.049 1.219
153 1HG2 VAL 21 HG21 VAL 21 3.149 5.378 2.632
154 2HG2 VAL 21 HG22 VAL 21 3.564 3.991 3.640
155 3HG2 VAL 21 HG23 VAL 21 2.425 3.803 2.307
156 H ALA 22 HN ALA 22 6.301 1.629 1.026
157 HA ALA 22 HA ALA 22 7.753 2.659 -1.124
158 1HB ALA 22 HB1 ALA 22 8.474 1.209 0.943
159 2HB ALA 22 HB2 ALA 22 9.411 1.179 -0.552
160 3HB ALA 22 HB3 ALA 22 8.277 -0.124 -0.195
161 H CYS 23 HN CYS 23 5.818 -0.311 -0.889
162 HA CYS 23 HA CYS 23 6.353 -1.240 -3.507
163 1HB CYS 23 HB2 CYS 23 5.214 -2.442 -1.482
164 2HB CYS 23 HB1 CYS 23 3.734 -1.750 -2.130
165 H CYS 24 HN CYS 24 3.781 0.747 -2.145
166 HA CYS 24 HA CYS 24 2.285 1.048 -4.507
167 1HB CYS 24 HB2 CYS 24 2.483 2.895 -2.125
168 2HB CYS 24 HB1 CYS 24 1.220 2.935 -3.343
169 H LYS 25 HN LYS 25 5.006 2.892 -3.202
170 HA LYS 25 HA LYS 25 4.821 5.030 -5.043
171 1HB LYS 25 HB2 LYS 25 7.162 4.002 -3.439
172 2HB LYS 25 HB1 LYS 25 7.231 5.449 -4.435
173 1HG LYS 25 HG2 LYS 25 5.533 4.974 -1.997
174 2HG LYS 25 HG1 LYS 25 6.838 6.146 -2.201
175 1HD LYS 25 HD2 LYS 25 5.395 7.655 -2.968
176 2HD LYS 25 HD1 LYS 25 4.898 6.555 -4.255
177 1HE LYS 25 HE2 LYS 25 2.893 6.784 -3.213
178 2HE LYS 25 HE1 LYS 25 3.538 5.454 -2.254
179 1HZ LYS 25 HZ1 LYS 25 4.468 7.569 -0.910
180 2HZ LYS 25 HZ2 LYS 25 3.002 6.798 -0.546
181 3HZ LYS 25 HZ3 LYS 25 3.012 8.200 -1.500
182 H LYS 26 HN LYS 26 6.715 2.008 -5.110
183 HA LYS 26 HA LYS 26 7.957 2.619 -7.591
184 1HB LYS 26 HB2 LYS 26 8.608 0.244 -7.667
185 2HB LYS 26 HB1 LYS 26 8.969 0.980 -6.116
186 1HG LYS 26 HG2 LYS 26 8.131 -1.066 -5.501
187 2HG LYS 26 HG1 LYS 26 6.699 -0.043 -5.387
188 1HD LYS 26 HD2 LYS 26 5.952 -1.955 -6.511
189 2HD LYS 26 HD1 LYS 26 6.219 -0.778 -7.798
190 1HE LYS 26 HE2 LYS 26 7.139 -2.827 -8.548
191 2HE LYS 26 HE1 LYS 26 8.500 -1.797 -8.100
192 1HZ LYS 26 HZ1 LYS 26 7.327 -3.979 -6.459
193 2HZ LYS 26 HZ2 LYS 26 8.581 -2.956 -5.956
194 3HZ LYS 26 HZ3 LYS 26 8.824 -4.013 -7.253
195 H ALA 27 HN ALA 27 4.871 1.344 -6.722
196 HA ALA 27 HA ALA 27 4.265 0.286 -9.338
197 1HB ALA 27 HB1 ALA 27 1.898 0.213 -8.279
198 2HB ALA 27 HB2 ALA 27 2.746 0.593 -6.780
199 3HB ALA 27 HB3 ALA 27 3.150 -0.873 -7.675
200 H LYS 28 HN LYS 28 4.600 3.312 -8.192
201 HA LYS 28 HA LYS 28 4.141 5.364 -9.004
202 1HB LYS 28 HB2 LYS 28 4.243 4.052 -11.221
203 2HB LYS 28 HB1 LYS 28 2.489 4.156 -11.206
204 1HG LYS 28 HG2 LYS 28 2.529 6.508 -11.376
205 2HG LYS 28 HG1 LYS 28 4.255 6.579 -11.014
206 1HD LYS 28 HD2 LYS 28 3.022 5.339 -13.477
207 2HD LYS 28 HD1 LYS 28 3.812 6.916 -13.407
208 1HE LYS 28 HE2 LYS 28 5.912 5.855 -12.779
209 2HE LYS 28 HE1 LYS 28 5.131 4.275 -12.776
210 1HZ LYS 28 HZ1 LYS 28 6.468 5.051 -14.835
211 2HZ LYS 28 HZ2 LYS 28 5.066 5.917 -15.215
212 3HZ LYS 28 HZ3 LYS 28 5.003 4.235 -15.054
213 H PHE 29 HN PHE 29 2.622 4.427 -6.950
214 HA PHE 29 HA PHE 29 -0.080 5.479 -7.491
215 1HB PHE 29 HB2 PHE 29 0.935 3.519 -5.435
216 2HB PHE 29 HB1 PHE 29 -0.580 4.369 -5.191
217 HD1 PHE 29 HD1 PHE 29 1.104 2.466 -7.938
218 HD2 PHE 29 HD2 PHE 29 -2.468 3.220 -5.758
219 HE1 PHE 29 HE1 PHE 29 -0.066 0.766 -9.275
220 HE2 PHE 29 HE2 PHE 29 -3.645 1.519 -7.089
221 HZ PHE 29 HZ PHE 29 -2.444 0.289 -8.851
222 H SER 30 HN SER 30 -0.930 7.054 -5.990
223 HA SER 30 HA SER 30 0.930 8.987 -5.199
224 1HB SER 30 HB2 SER 30 -1.058 9.963 -3.902
225 2HB SER 30 HB1 SER 30 -1.243 9.776 -5.645
226 HG SER 30 HG SER 30 -2.694 8.693 -3.666
227 H ASP 31 HN ASP 31 -0.761 6.526 -3.307
228 HA ASP 31 HA ASP 31 1.367 6.308 -1.460
229 1HB ASP 31 HB2 ASP 31 0.136 8.479 -0.711
230 2HB ASP 31 HB1 ASP 31 -1.089 7.366 -0.099
231 H GLY 32 HN GLY 32 0.947 4.734 0.215
232 1HA GLY 32 HA2 GLY 32 -1.298 2.951 -0.504
233 2HA GLY 32 HA1 GLY 32 0.305 2.352 -0.102
234 H HIS 33 HN HIS 33 -2.095 1.573 1.169
235 HA HIS 33 HA HIS 33 -1.437 2.414 3.895
236 1HB HIS 33 HB2 HIS 33 -3.761 2.710 4.512
237 2HB HIS 33 HB1 HIS 33 -3.382 3.771 3.164
238 HD1 HIS 33 HD1 HIS 33 -5.166 0.498 3.884
239 HD2 HIS 33 HD2 HIS 33 -4.994 3.460 0.965
240 HE1 HIS 33 HE1 HIS 33 -7.008 -0.036 2.258
241 H CYS 34 HN CYS 34 -1.772 0.884 5.452
242 HA CYS 34 HA CYS 34 -1.513 -1.806 4.740
243 1HB CYS 34 HB2 CYS 34 -0.883 -0.610 6.932
244 2HB CYS 34 HB1 CYS 34 -2.562 -0.846 7.400
245 H SER 35 HN SER 35 -2.972 -3.525 4.719
246 HA SER 35 HA SER 35 -5.777 -2.735 4.487
247 1HB SER 35 HB2 SER 35 -5.899 -5.156 3.512
248 2HB SER 35 HB1 SER 35 -5.207 -3.856 2.544
249 HG SER 35 HG SER 35 -3.725 -5.417 2.397
250 H LYS 36 HN LYS 36 -6.792 -5.394 4.825
251 HA LYS 36 HA LYS 36 -6.161 -6.138 7.555
252 1HB LYS 36 HB2 LYS 36 -7.783 -4.387 7.933
253 2HB LYS 36 HB1 LYS 36 -8.882 -5.093 6.755
254 1HG LYS 36 HG2 LYS 36 -9.260 -6.998 8.163
255 2HG LYS 36 HG1 LYS 36 -8.037 -6.445 9.309
256 1HD LYS 36 HD2 LYS 36 -10.230 -5.924 10.171
257 2HD LYS 36 HD1 LYS 36 -9.406 -4.426 9.736
258 1HE LYS 36 HE2 LYS 36 -10.649 -4.351 7.633
259 2HE LYS 36 HE1 LYS 36 -11.460 -5.859 8.052
260 1HZ LYS 36 HZ1 LYS 36 -12.208 -4.595 10.128
261 2HZ LYS 36 HZ2 LYS 36 -12.967 -4.224 8.662
262 3HZ LYS 36 HZ3 LYS 36 -11.776 -3.195 9.282
263 H ILE 37 HN ILE 37 -8.163 -6.666 4.691
264 HA ILE 37 HA ILE 37 -9.265 -9.135 5.294
265 HB ILE 37 HB ILE 37 -8.272 -8.344 2.560
266 1HG1 ILE 37 HG12 ILE 37 -10.964 -7.657 3.746
267 2HG1 ILE 37 HG11 ILE 37 -9.608 -6.533 3.721
268 1HG2 ILE 37 HG21 ILE 37 -9.581 -10.625 3.464
269 2HG2 ILE 37 HG22 ILE 37 -9.401 -10.101 1.789
270 3HG2 ILE 37 HG23 ILE 37 -10.842 -9.655 2.703
271 1HD1 ILE 37 HD11 ILE 37 -10.749 -5.900 1.843
272 2HD1 ILE 37 HD12 ILE 37 -11.276 -7.542 1.476
273 3HD1 ILE 37 HD13 ILE 37 -9.608 -7.060 1.161
274 H LEU 38 HN LEU 38 -6.631 -8.880 2.930
275 HA LEU 38 HA LEU 38 -5.628 -11.472 3.814
276 1HB LEU 38 HB2 LEU 38 -5.986 -10.861 1.367
277 2HB LEU 38 HB1 LEU 38 -4.611 -9.789 1.527
278 HG LEU 38 HG LEU 38 -3.135 -11.628 1.974
279 1HD1 LEU 38 HD11 LEU 38 -4.067 -13.985 1.799
280 2HD1 LEU 38 HD12 LEU 38 -5.657 -13.262 2.040
281 3HD1 LEU 38 HD13 LEU 38 -4.419 -13.105 3.286
282 1HD2 LEU 38 HD21 LEU 38 -4.807 -11.550 -0.423
283 2HD2 LEU 38 HD22 LEU 38 -4.000 -13.096 -0.164
284 3HD2 LEU 38 HD23 LEU 38 -3.052 -11.612 -0.266
285 H ARG 39 HN ARG 39 -5.199 -8.254 4.316
286 HA ARG 39 HA ARG 39 -3.777 -6.960 5.481
287 1HB ARG 39 HB2 ARG 39 -3.921 -8.932 7.060
288 2HB ARG 39 HB1 ARG 39 -2.413 -9.506 6.363
289 1HG ARG 39 HG2 ARG 39 -1.960 -8.348 8.419
290 2HG ARG 39 HG1 ARG 39 -1.323 -7.408 7.067
291 1HD ARG 39 HD2 ARG 39 -3.445 -6.064 7.135
292 2HD ARG 39 HD1 ARG 39 -3.849 -6.902 8.632
293 HE ARG 39 HE ARG 39 -2.047 -4.729 8.325
294 1HH1 ARG 39 HH11 ARG 39 -2.574 -7.642 10.201
295 2HH1 ARG 39 HH12 ARG 39 -1.593 -7.117 11.527
296 1HH2 ARG 39 HH21 ARG 39 -0.755 -4.037 10.065
297 2HH2 ARG 39 HH22 ARG 39 -0.551 -5.058 11.450
298 H ARG 40 HN ARG 40 -3.178 -7.523 2.740
299 HA ARG 40 HA ARG 40 -0.292 -7.789 2.673
300 1HB ARG 40 HB2 ARG 40 -2.320 -7.475 0.470
301 2HB ARG 40 HB1 ARG 40 -0.584 -7.507 0.187
302 1HG ARG 40 HG2 ARG 40 -0.563 -9.742 1.366
303 2HG ARG 40 HG1 ARG 40 -2.324 -9.702 1.268
304 1HD ARG 40 HD2 ARG 40 -0.397 -9.595 -1.048
305 2HD ARG 40 HD1 ARG 40 -1.394 -10.971 -0.581
306 HE ARG 40 HE ARG 40 -3.058 -8.737 -1.023
307 1HH1 ARG 40 HH11 ARG 40 -1.098 -11.090 -2.759
308 2HH1 ARG 40 HH12 ARG 40 -1.962 -10.865 -4.251
309 1HH2 ARG 40 HH21 ARG 40 -4.189 -8.473 -2.940
310 2HH2 ARG 40 HH22 ARG 40 -3.736 -9.370 -4.357
311 H CYS 41 HN CYS 41 -1.989 -5.491 0.593
312 HA CYS 41 HA CYS 41 -1.305 -3.143 2.015
313 1HB CYS 41 HB2 CYS 41 0.979 -3.584 1.664
314 2HB CYS 41 HB1 CYS 41 0.708 -4.179 0.033
315 H LEU 42 HN LEU 42 -3.071 -2.043 1.319
316 HA LEU 42 HA LEU 42 -3.838 -2.118 -1.488
317 1HB LEU 42 HB2 LEU 42 -5.114 -1.179 1.016
318 2HB LEU 42 HB1 LEU 42 -5.547 -0.312 -0.440
319 HG LEU 42 HG LEU 42 -6.098 -2.656 -1.402
320 1HD1 LEU 42 HD11 LEU 42 -6.820 -3.532 1.279
321 2HD1 LEU 42 HD12 LEU 42 -5.082 -3.508 0.979
322 3HD1 LEU 42 HD13 LEU 42 -6.147 -4.441 -0.074
323 1HD2 LEU 42 HD21 LEU 42 -8.346 -2.583 -0.232
324 2HD2 LEU 42 HD22 LEU 42 -7.843 -1.118 -1.074
325 3HD2 LEU 42 HD23 LEU 42 -7.709 -1.216 0.681
326 H CYS 43 HN CYS 43 -3.119 -0.712 -2.919
327 HA CYS 43 HA CYS 43 -1.893 1.770 -1.968
328 1HB CYS 43 HB2 CYS 43 -1.757 0.475 -4.698
329 2HB CYS 43 HB1 CYS 43 -0.882 1.910 -4.192
330 H THR 44 HN THR 44 -2.592 3.743 -2.608
331 HA THR 44 HA THR 44 -5.087 3.822 -4.174
332 HB THR 44 HB THR 44 -5.355 6.077 -2.837
333 HG1 THR 44 HG1 THR 44 -3.175 5.418 -1.780
334 1HG2 THR 44 HG21 THR 44 -6.786 4.989 -1.292
335 2HG2 THR 44 HG22 THR 44 -5.846 3.499 -1.361
336 3HG2 THR 44 HG23 THR 44 -6.804 4.002 -2.753
337 H LYS 45 HN LYS 45 -5.276 5.433 -5.745
338 HA LYS 45 HA LYS 45 -3.269 7.470 -6.018
339 1HB LYS 45 HB2 LYS 45 -2.290 6.778 -8.082
340 2HB LYS 45 HB1 LYS 45 -2.123 5.446 -6.947
341 1HG LYS 45 HG2 LYS 45 -3.874 4.224 -8.003
342 2HG LYS 45 HG1 LYS 45 -4.315 5.610 -9.003
343 1HD LYS 45 HD2 LYS 45 -1.686 4.130 -9.116
344 2HD LYS 45 HD1 LYS 45 -3.018 3.941 -10.258
345 1HE LYS 45 HE2 LYS 45 -2.787 6.190 -11.015
346 2HE LYS 45 HE1 LYS 45 -1.651 6.569 -9.721
347 1HZ LYS 45 HZ1 LYS 45 0.038 5.436 -10.741
348 2HZ LYS 45 HZ2 LYS 45 -0.787 6.051 -12.089
349 3HZ LYS 45 HZ3 LYS 45 -1.001 4.436 -11.632
350 H GLU 46 HN GLU 46 -3.573 8.723 -8.030
351 HA GLU 46 HA GLU 46 -6.364 9.279 -8.414
352 1HB GLU 46 HB2 GLU 46 -5.480 11.121 -9.856
353 2HB GLU 46 HB1 GLU 46 -4.841 11.134 -8.217
354 1HG GLU 46 HG2 GLU 46 -2.838 9.890 -9.131
355 2HG GLU 46 HG1 GLU 46 -3.461 10.264 -10.737
356 H CYS 47 HN CYS 47 -7.445 9.259 -10.413
357 HA CYS 47 HA CYS 47 -6.387 8.355 -12.840
358 1HB CYS 47 HB2 CYS 47 -7.402 6.134 -12.997
359 2HB CYS 47 HB1 CYS 47 -6.223 6.182 -11.692
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 -11.525 13.473 -7.326
2 2H ALA 1 HT2 ALA 1 -11.236 12.655 -5.874
3 3H ALA 1 HT3 ALA 1 -12.481 12.145 -6.901
4 HA ALA 1 HA ALA 1 -11.157 10.930 -8.137
5 1HB ALA 1 HB1 ALA 1 -8.938 12.953 -7.973
6 2HB ALA 1 HB2 ALA 1 -10.318 13.158 -9.052
7 3HB ALA 1 HB3 ALA 1 -9.252 11.766 -9.238
8 H THR 2 HN THR 2 -11.319 10.436 -5.452
9 HA THR 2 HA THR 2 -8.588 9.841 -4.563
10 HB THR 2 HB THR 2 -11.116 9.493 -2.950
11 HG1 THR 2 HG1 THR 2 -9.842 11.715 -2.237
12 1HG2 THR 2 HG21 THR 2 -9.515 8.515 -1.665
13 2HG2 THR 2 HG22 THR 2 -9.187 10.186 -1.206
14 3HG2 THR 2 HG23 THR 2 -8.200 9.399 -2.440
15 H CYS 3 HN CYS 3 -7.909 7.899 -5.275
16 HA CYS 3 HA CYS 3 -9.883 5.718 -5.325
17 1HB CYS 3 HB2 CYS 3 -7.431 6.124 -7.046
18 2HB CYS 3 HB1 CYS 3 -8.551 4.764 -7.160
19 H LYS 4 HN LYS 4 -9.509 3.883 -4.294
20 HA LYS 4 HA LYS 4 -6.853 3.394 -3.113
21 1HB LYS 4 HB2 LYS 4 -8.553 4.306 -1.451
22 2HB LYS 4 HB1 LYS 4 -9.489 2.847 -1.720
23 1HG LYS 4 HG2 LYS 4 -6.650 2.825 -0.714
24 2HG LYS 4 HG1 LYS 4 -8.055 2.875 0.346
25 1HD LYS 4 HD2 LYS 4 -7.455 0.698 -1.662
26 2HD LYS 4 HD1 LYS 4 -7.149 0.597 0.071
27 1HE LYS 4 HE2 LYS 4 -9.502 0.737 0.547
28 2HE LYS 4 HE1 LYS 4 -9.871 1.047 -1.148
29 1HZ LYS 4 HZ1 LYS 4 -10.293 -1.268 -0.490
30 2HZ LYS 4 HZ2 LYS 4 -8.657 -1.473 -0.111
31 3HZ LYS 4 HZ3 LYS 4 -9.126 -1.165 -1.708
32 H ALA 5 HN ALA 5 -6.107 1.438 -3.515
33 HA ALA 5 HA ALA 5 -7.814 -0.864 -3.777
34 1HB ALA 5 HB1 ALA 5 -6.228 0.064 -6.176
35 2HB ALA 5 HB2 ALA 5 -7.986 0.065 -6.042
36 3HB ALA 5 HB3 ALA 5 -7.102 -1.462 -6.042
37 H GLU 6 HN GLU 6 -6.720 -2.556 -2.948
38 HA GLU 6 HA GLU 6 -4.088 -2.236 -2.000
39 1HB GLU 6 HB2 GLU 6 -5.687 -4.792 -2.344
40 2HB GLU 6 HB1 GLU 6 -4.174 -4.666 -1.486
41 1HG GLU 6 HG2 GLU 6 -5.913 -4.706 0.117
42 2HG GLU 6 HG1 GLU 6 -5.229 -3.088 0.094
43 H CYS 7 HN CYS 7 -2.168 -2.935 -2.765
44 HA CYS 7 HA CYS 7 -1.697 -2.939 -5.484
45 1HB CYS 7 HB2 CYS 7 0.054 -2.648 -3.739
46 2HB CYS 7 HB1 CYS 7 -0.011 -4.379 -3.423
47 HA PRO 8 HA PRO 8 -3.474 -6.758 -6.905
48 1HB PRO 8 HB2 PRO 8 -1.465 -6.362 -9.071
49 2HB PRO 8 HB1 PRO 8 -3.202 -6.663 -9.190
50 1HG PRO 8 HG2 PRO 8 -2.214 -4.231 -9.626
51 2HG PRO 8 HG1 PRO 8 -3.748 -4.448 -8.763
52 1HD PRO 8 HD2 PRO 8 -1.047 -3.765 -7.693
53 2HD PRO 8 HD1 PRO 8 -2.647 -3.210 -7.160
54 H THR 9 HN THR 9 0.035 -6.261 -7.057
55 HA THR 9 HA THR 9 0.493 -9.124 -6.799
56 HB THR 9 HB THR 9 2.934 -8.429 -6.910
57 HG1 THR 9 HG1 THR 9 2.258 -6.137 -6.320
58 1HG2 THR 9 HG21 THR 9 2.199 -9.261 -8.923
59 2HG2 THR 9 HG22 THR 9 2.613 -7.613 -9.397
60 3HG2 THR 9 HG23 THR 9 0.932 -8.046 -9.087
61 H TRP 10 HN TRP 10 -0.803 -8.064 -4.597
62 HA TRP 10 HA TRP 10 1.176 -8.583 -2.545
63 1HB TRP 10 HB2 TRP 10 1.168 -6.101 -2.898
64 2HB TRP 10 HB1 TRP 10 -0.514 -6.086 -2.375
65 HD1 TRP 10 HD1 TRP 10 -0.885 -7.168 0.218
66 HE1 TRP 10 HE1 TRP 10 0.605 -6.795 2.302
67 HE3 TRP 10 HE3 TRP 10 3.383 -5.580 -2.106
68 HZ2 TRP 10 HZ2 TRP 10 3.253 -5.911 2.862
69 HZ3 TRP 10 HZ3 TRP 10 5.329 -4.978 -0.733
70 HH2 TRP 10 HH2 TRP 10 5.262 -5.146 1.697
71 H ASP 11 HN ASP 11 0.001 -10.466 -2.272
72 HA ASP 11 HA ASP 11 -2.700 -10.158 -1.163
73 1HB ASP 11 HB2 ASP 11 -2.991 -12.530 -1.566
74 2HB ASP 11 HB1 ASP 11 -2.414 -11.765 -3.044
75 H SER 12 HN SER 12 0.476 -10.482 -0.305
76 HA SER 12 HA SER 12 0.139 -12.141 2.013
77 1HB SER 12 HB2 SER 12 2.231 -11.929 0.541
78 2HB SER 12 HB1 SER 12 2.534 -10.421 1.403
79 HG SER 12 HG SER 12 2.750 -13.038 2.264
80 H VAL 13 HN VAL 13 1.449 -11.135 4.000
81 HA VAL 13 HA VAL 13 -0.264 -9.039 5.016
82 HB VAL 13 HB VAL 13 1.944 -10.615 6.353
83 1HG1 VAL 13 HG11 VAL 13 -0.195 -9.252 7.895
84 2HG1 VAL 13 HG12 VAL 13 1.133 -8.275 7.269
85 3HG1 VAL 13 HG13 VAL 13 1.468 -9.628 8.349
86 1HG2 VAL 13 HG21 VAL 13 -0.455 -11.369 7.468
87 2HG2 VAL 13 HG22 VAL 13 0.465 -12.280 6.269
88 3HG2 VAL 13 HG23 VAL 13 -0.838 -11.209 5.754
89 H CYS 14 HN CYS 14 0.266 -6.963 5.258
90 HA CYS 14 HA CYS 14 2.819 -6.014 4.308
91 1HB CYS 14 HB2 CYS 14 1.044 -4.632 3.657
92 2HB CYS 14 HB1 CYS 14 0.276 -4.712 5.238
93 H ILE 15 HN ILE 15 4.542 -5.581 5.525
94 HA ILE 15 HA ILE 15 4.258 -5.717 8.434
95 HB ILE 15 HB ILE 15 6.787 -5.789 6.777
96 1HG1 ILE 15 HG12 ILE 15 5.253 -8.062 8.064
97 2HG1 ILE 15 HG11 ILE 15 5.316 -7.725 6.337
98 1HG2 ILE 15 HG21 ILE 15 6.354 -5.441 9.564
99 2HG2 ILE 15 HG22 ILE 15 7.882 -5.593 8.698
100 3HG2 ILE 15 HG23 ILE 15 7.070 -7.033 9.312
101 1HD1 ILE 15 HD11 ILE 15 7.205 -9.126 8.037
102 2HD1 ILE 15 HD12 ILE 15 7.968 -7.895 7.030
103 3HD1 ILE 15 HD13 ILE 15 7.003 -9.170 6.286
104 H ASN 16 HN ASN 16 5.528 -3.628 5.881
105 HA ASN 16 HA ASN 16 5.426 -1.372 7.732
106 1HB ASN 16 HB2 ASN 16 7.754 -2.323 7.749
107 2HB ASN 16 HB1 ASN 16 7.862 -1.969 6.031
108 1HD2 ASN 16 HD21 ASN 16 8.382 -0.826 9.131
109 2HD2 ASN 16 HD22 ASN 16 8.699 0.828 8.746
110 H LYS 17 HN LYS 17 5.545 0.712 6.598
111 HA LYS 17 HA LYS 17 3.847 0.785 4.350
112 1HB LYS 17 HB2 LYS 17 3.901 2.605 5.962
113 2HB LYS 17 HB1 LYS 17 5.583 2.937 5.577
114 1HG LYS 17 HG2 LYS 17 4.921 3.578 3.299
115 2HG LYS 17 HG1 LYS 17 3.233 3.286 3.723
116 1HD LYS 17 HD2 LYS 17 3.249 5.053 5.324
117 2HD LYS 17 HD1 LYS 17 5.000 5.229 5.200
118 1HE LYS 17 HE2 LYS 17 3.918 7.018 3.991
119 2HE LYS 17 HE1 LYS 17 4.736 5.948 2.856
120 1HZ LYS 17 HZ1 LYS 17 2.484 4.847 2.579
121 2HZ LYS 17 HZ2 LYS 17 2.665 6.391 1.906
122 3HZ LYS 17 HZ3 LYS 17 1.837 6.197 3.367
123 H LYS 18 HN LYS 18 7.368 1.000 4.685
124 HA LYS 18 HA LYS 18 8.051 1.981 2.193
125 1HB LYS 18 HB2 LYS 18 9.698 1.595 3.959
126 2HB LYS 18 HB1 LYS 18 9.523 -0.144 3.758
127 1HG LYS 18 HG2 LYS 18 11.531 0.645 2.659
128 2HG LYS 18 HG1 LYS 18 10.377 0.035 1.471
129 1HD LYS 18 HD2 LYS 18 9.617 2.463 1.223
130 2HD LYS 18 HD1 LYS 18 11.090 2.888 2.098
131 1HE LYS 18 HE2 LYS 18 11.487 3.037 -0.280
132 2HE LYS 18 HE1 LYS 18 12.411 1.693 0.391
133 1HZ LYS 18 HZ1 LYS 18 9.795 0.929 -0.524
134 2HZ LYS 18 HZ2 LYS 18 11.301 0.231 -0.852
135 3HZ LYS 18 HZ3 LYS 18 10.769 1.554 -1.759
136 HA PRO 19 HA PRO 19 8.102 -2.601 0.346
137 1HB PRO 19 HB2 PRO 19 6.049 -3.739 2.194
138 2HB PRO 19 HB1 PRO 19 7.430 -4.538 1.441
139 1HG PRO 19 HG2 PRO 19 7.527 -3.903 3.998
140 2HG PRO 19 HG1 PRO 19 8.945 -3.619 2.969
141 1HD PRO 19 HD2 PRO 19 6.907 -1.663 3.967
142 2HD PRO 19 HD1 PRO 19 8.669 -1.483 3.838
143 H CYS 20 HN CYS 20 5.182 -1.477 1.995
144 HA CYS 20 HA CYS 20 3.311 -2.162 0.031
145 1HB CYS 20 HB2 CYS 20 2.796 -1.526 2.392
146 2HB CYS 20 HB1 CYS 20 3.175 0.144 1.991
147 H VAL 21 HN VAL 21 4.943 0.962 0.643
148 HA VAL 21 HA VAL 21 3.819 2.389 -1.482
149 HB VAL 21 HB VAL 21 6.559 2.720 -0.236
150 1HG1 VAL 21 HG11 VAL 21 5.072 4.345 -2.258
151 2HG1 VAL 21 HG12 VAL 21 6.782 3.917 -2.202
152 3HG1 VAL 21 HG13 VAL 21 6.143 5.142 -1.106
153 1HG2 VAL 21 HG21 VAL 21 5.007 3.085 1.463
154 2HG2 VAL 21 HG22 VAL 21 3.848 3.844 0.371
155 3HG2 VAL 21 HG23 VAL 21 5.318 4.703 0.834
156 H ALA 22 HN ALA 22 6.562 0.189 -1.390
157 HA ALA 22 HA ALA 22 7.569 0.747 -3.970
158 1HB ALA 22 HB1 ALA 22 9.013 -0.981 -3.626
159 2HB ALA 22 HB2 ALA 22 7.780 -2.014 -2.902
160 3HB ALA 22 HB3 ALA 22 8.504 -0.712 -1.959
161 H CYS 23 HN CYS 23 5.239 -1.662 -2.795
162 HA CYS 23 HA CYS 23 4.739 -2.874 -5.305
163 1HB CYS 23 HB2 CYS 23 4.107 -3.634 -2.873
164 2HB CYS 23 HB1 CYS 23 2.645 -2.700 -3.158
165 H CYS 24 HN CYS 24 3.169 -0.274 -3.515
166 HA CYS 24 HA CYS 24 1.103 0.199 -5.370
167 1HB CYS 24 HB2 CYS 24 2.383 2.070 -3.372
168 2HB CYS 24 HB1 CYS 24 0.866 2.370 -4.212
169 H LYS 25 HN LYS 25 4.403 1.404 -5.127
170 HA LYS 25 HA LYS 25 4.138 3.449 -7.054
171 1HB LYS 25 HB2 LYS 25 6.021 3.130 -5.359
172 2HB LYS 25 HB1 LYS 25 6.692 1.958 -6.485
173 1HG LYS 25 HG2 LYS 25 7.674 4.237 -6.665
174 2HG LYS 25 HG1 LYS 25 6.978 3.626 -8.168
175 1HD LYS 25 HD2 LYS 25 6.374 5.966 -7.815
176 2HD LYS 25 HD1 LYS 25 4.946 4.932 -7.760
177 1HE LYS 25 HE2 LYS 25 5.245 4.930 -5.230
178 2HE LYS 25 HE1 LYS 25 6.389 6.249 -5.474
179 1HZ LYS 25 HZ1 LYS 25 3.495 6.214 -6.118
180 2HZ LYS 25 HZ2 LYS 25 4.546 7.405 -6.701
181 3HZ LYS 25 HZ3 LYS 25 4.306 7.234 -5.034
182 H LYS 26 HN LYS 26 5.178 0.050 -7.324
183 HA LYS 26 HA LYS 26 5.708 0.224 -10.111
184 1HB LYS 26 HB2 LYS 26 5.708 -2.249 -10.099
185 2HB LYS 26 HB1 LYS 26 6.714 -1.573 -8.830
186 1HG LYS 26 HG2 LYS 26 5.662 -3.279 -7.724
187 2HG LYS 26 HG1 LYS 26 4.598 -1.925 -7.350
188 1HD LYS 26 HD2 LYS 26 3.117 -3.614 -7.954
189 2HD LYS 26 HD1 LYS 26 3.277 -2.673 -9.438
190 1HE LYS 26 HE2 LYS 26 3.415 -4.964 -10.049
191 2HE LYS 26 HE1 LYS 26 5.047 -4.303 -10.158
192 1HZ LYS 26 HZ1 LYS 26 3.933 -5.993 -7.984
193 2HZ LYS 26 HZ2 LYS 26 5.434 -5.213 -7.890
194 3HZ LYS 26 HZ3 LYS 26 5.172 -6.397 -9.068
195 H ALA 27 HN ALA 27 2.843 -0.189 -8.232
196 HA ALA 27 HA ALA 27 1.201 -1.111 -10.423
197 1HB ALA 27 HB1 ALA 27 -0.516 -0.209 -8.455
198 2HB ALA 27 HB2 ALA 27 0.901 -0.746 -7.553
199 3HB ALA 27 HB3 ALA 27 0.076 -1.860 -8.643
200 H LYS 28 HN LYS 28 2.622 1.722 -9.758
201 HA LYS 28 HA LYS 28 2.476 3.804 -10.602
202 1HB LYS 28 HB2 LYS 28 1.472 2.465 -12.579
203 2HB LYS 28 HB1 LYS 28 -0.066 3.120 -12.037
204 1HG LYS 28 HG2 LYS 28 0.607 5.335 -12.475
205 2HG LYS 28 HG1 LYS 28 2.298 4.862 -12.658
206 1HD LYS 28 HD2 LYS 28 0.033 4.066 -14.487
207 2HD LYS 28 HD1 LYS 28 1.256 5.292 -14.828
208 1HE LYS 28 HE2 LYS 28 3.003 3.617 -14.756
209 2HE LYS 28 HE1 LYS 28 1.833 2.379 -14.302
210 1HZ LYS 28 HZ1 LYS 28 0.936 2.332 -16.401
211 2HZ LYS 28 HZ2 LYS 28 2.568 2.605 -16.751
212 3HZ LYS 28 HZ3 LYS 28 1.468 3.889 -16.800
213 H PHE 29 HN PHE 29 1.340 3.178 -8.091
214 HA PHE 29 HA PHE 29 -0.946 5.016 -7.925
215 1HB PHE 29 HB2 PHE 29 0.063 2.878 -6.064
216 2HB PHE 29 HB1 PHE 29 -1.024 4.137 -5.493
217 HD1 PHE 29 HD1 PHE 29 -3.281 3.696 -5.525
218 HD2 PHE 29 HD2 PHE 29 -0.752 1.678 -8.288
219 HE1 PHE 29 HE1 PHE 29 -5.201 2.380 -6.315
220 HE2 PHE 29 HE2 PHE 29 -2.669 0.362 -9.086
221 HZ PHE 29 HZ PHE 29 -4.897 0.712 -8.101
222 H SER 30 HN SER 30 -0.921 6.745 -6.476
223 HA SER 30 HA SER 30 1.440 8.201 -6.375
224 1HB SER 30 HB2 SER 30 -0.802 8.728 -4.465
225 2HB SER 30 HB1 SER 30 0.148 9.874 -5.418
226 HG SER 30 HG SER 30 -1.365 9.749 -6.881
227 H ASP 31 HN ASP 31 -0.224 6.475 -3.735
228 HA ASP 31 HA ASP 31 2.300 5.987 -2.426
229 1HB ASP 31 HB2 ASP 31 1.969 8.196 -1.567
230 2HB ASP 31 HB1 ASP 31 0.278 7.868 -1.201
231 H GLY 32 HN GLY 32 2.222 4.370 -0.896
232 1HA GLY 32 HA2 GLY 32 -0.337 2.920 -0.759
233 2HA GLY 32 HA1 GLY 32 1.248 2.161 -0.692
234 H HIS 33 HN HIS 33 -1.147 2.247 1.164
235 HA HIS 33 HA HIS 33 0.407 2.914 3.567
236 1HB HIS 33 HB2 HIS 33 -1.733 3.661 4.656
237 2HB HIS 33 HB1 HIS 33 -1.140 4.721 3.386
238 HD1 HIS 33 HD1 HIS 33 -2.414 4.353 0.972
239 HD2 HIS 33 HD2 HIS 33 -4.332 2.940 4.379
240 HE1 HIS 33 HE1 HIS 33 -4.810 4.022 0.309
241 H CYS 34 HN CYS 34 0.428 1.452 5.099
242 HA CYS 34 HA CYS 34 -0.580 -1.159 4.655
243 1HB CYS 34 HB2 CYS 34 1.490 -0.259 6.015
244 2HB CYS 34 HB1 CYS 34 0.335 -0.188 7.339
245 H SER 35 HN SER 35 -2.455 -2.100 5.395
246 HA SER 35 HA SER 35 -4.389 -0.333 6.630
247 1HB SER 35 HB2 SER 35 -5.981 -2.212 6.216
248 2HB SER 35 HB1 SER 35 -5.167 -1.628 4.766
249 HG SER 35 HG SER 35 -3.993 -3.434 4.659
250 H LYS 36 HN LYS 36 -5.946 -2.402 7.846
251 HA LYS 36 HA LYS 36 -4.300 -3.153 10.156
252 1HB LYS 36 HB2 LYS 36 -5.403 -1.158 10.854
253 2HB LYS 36 HB1 LYS 36 -6.939 -1.691 10.184
254 1HG LYS 36 HG2 LYS 36 -7.049 -3.467 11.862
255 2HG LYS 36 HG1 LYS 36 -5.519 -2.912 12.543
256 1HD LYS 36 HD2 LYS 36 -8.023 -1.239 12.345
257 2HD LYS 36 HD1 LYS 36 -7.503 -2.102 13.793
258 1HE LYS 36 HE2 LYS 36 -5.454 -0.786 13.859
259 2HE LYS 36 HE1 LYS 36 -5.930 0.051 12.382
260 1HZ LYS 36 HZ1 LYS 36 -7.855 0.936 13.556
261 2HZ LYS 36 HZ2 LYS 36 -6.419 1.379 14.332
262 3HZ LYS 36 HZ3 LYS 36 -7.380 0.143 14.974
263 H ILE 37 HN ILE 37 -7.188 -3.727 8.233
264 HA ILE 37 HA ILE 37 -8.279 -5.870 9.660
265 HB ILE 37 HB ILE 37 -8.385 -5.762 6.667
266 1HG1 ILE 37 HG12 ILE 37 -10.161 -4.088 8.440
267 2HG1 ILE 37 HG11 ILE 37 -8.720 -3.443 7.655
268 1HG2 ILE 37 HG21 ILE 37 -10.803 -6.403 7.212
269 2HG2 ILE 37 HG22 ILE 37 -10.220 -6.687 8.852
270 3HG2 ILE 37 HG23 ILE 37 -9.549 -7.608 7.507
271 1HD1 ILE 37 HD11 ILE 37 -9.962 -4.590 5.548
272 2HD1 ILE 37 HD12 ILE 37 -10.165 -2.903 6.026
273 3HD1 ILE 37 HD13 ILE 37 -11.348 -4.110 6.530
274 H LEU 38 HN LEU 38 -7.423 -6.758 6.453
275 HA LEU 38 HA LEU 38 -6.187 -9.194 7.360
276 1HB LEU 38 HB2 LEU 38 -7.737 -8.968 5.371
277 2HB LEU 38 HB1 LEU 38 -6.425 -8.170 4.534
278 HG LEU 38 HG LEU 38 -5.049 -10.176 4.750
279 1HD1 LEU 38 HD11 LEU 38 -7.415 -11.744 5.662
280 2HD1 LEU 38 HD12 LEU 38 -6.426 -10.902 6.854
281 3HD1 LEU 38 HD13 LEU 38 -5.697 -12.114 5.800
282 1HD2 LEU 38 HD21 LEU 38 -6.376 -9.903 2.744
283 2HD2 LEU 38 HD22 LEU 38 -7.767 -10.647 3.532
284 3HD2 LEU 38 HD23 LEU 38 -6.326 -11.607 3.198
285 H ARG 39 HN ARG 39 -5.118 -6.215 7.179
286 HA ARG 39 HA ARG 39 -3.121 -5.174 7.173
287 1HB ARG 39 HB2 ARG 39 -2.595 -7.229 8.588
288 2HB ARG 39 HB1 ARG 39 -1.843 -7.902 7.150
289 1HG ARG 39 HG2 ARG 39 -0.166 -6.933 8.555
290 2HG ARG 39 HG1 ARG 39 -0.316 -5.977 7.081
291 1HD ARG 39 HD2 ARG 39 -1.626 -4.313 8.257
292 2HD ARG 39 HD1 ARG 39 -1.600 -5.293 9.724
293 HE ARG 39 HE ARG 39 1.045 -4.844 8.936
294 1HH1 ARG 39 HH11 ARG 39 -1.681 -2.947 10.036
295 2HH1 ARG 39 HH12 ARG 39 -0.703 -1.788 10.870
296 1HH2 ARG 39 HH21 ARG 39 2.344 -3.307 10.017
297 2HH2 ARG 39 HH22 ARG 39 1.595 -1.993 10.861
298 H ARG 40 HN ARG 40 -4.431 -5.834 4.689
299 HA ARG 40 HA ARG 40 -2.424 -6.548 2.760
300 1HB ARG 40 HB2 ARG 40 -5.226 -5.481 2.563
301 2HB ARG 40 HB1 ARG 40 -4.198 -5.568 1.141
302 1HG ARG 40 HG2 ARG 40 -3.909 -8.007 1.603
303 2HG ARG 40 HG1 ARG 40 -5.133 -7.845 2.866
304 1HD ARG 40 HD2 ARG 40 -6.753 -7.073 1.218
305 2HD ARG 40 HD1 ARG 40 -5.529 -7.167 -0.048
306 HE ARG 40 HE ARG 40 -7.079 -9.317 1.007
307 1HH1 ARG 40 HH11 ARG 40 -4.042 -8.467 -0.486
308 2HH1 ARG 40 HH12 ARG 40 -3.680 -10.081 -0.994
309 1HH2 ARG 40 HH21 ARG 40 -6.600 -11.486 0.322
310 2HH2 ARG 40 HH22 ARG 40 -5.123 -11.797 -0.530
311 H CYS 41 HN CYS 41 -1.647 -5.121 1.076
312 HA CYS 41 HA CYS 41 -0.938 -2.516 2.129
313 1HB CYS 41 HB2 CYS 41 0.858 -3.707 1.118
314 2HB CYS 41 HB1 CYS 41 -0.098 -4.079 -0.310
315 H LEU 42 HN LEU 42 -2.625 -1.131 1.978
316 HA LEU 42 HA LEU 42 -4.301 -1.051 -0.372
317 1HB LEU 42 HB2 LEU 42 -4.195 0.468 2.217
318 2HB LEU 42 HB1 LEU 42 -5.150 1.088 0.888
319 HG LEU 42 HG LEU 42 -6.525 -0.941 0.910
320 1HD1 LEU 42 HD11 LEU 42 -4.582 -2.348 1.873
321 2HD1 LEU 42 HD12 LEU 42 -6.237 -2.724 2.355
322 3HD1 LEU 42 HD13 LEU 42 -5.189 -1.808 3.438
323 1HD2 LEU 42 HD21 LEU 42 -7.836 0.036 2.413
324 2HD2 LEU 42 HD22 LEU 42 -6.484 1.100 2.803
325 3HD2 LEU 42 HD23 LEU 42 -6.738 -0.380 3.729
326 H CYS 43 HN CYS 43 -3.855 0.083 -2.145
327 HA CYS 43 HA CYS 43 -1.813 2.178 -1.967
328 1HB CYS 43 HB2 CYS 43 -2.876 0.724 -4.397
329 2HB CYS 43 HB1 CYS 43 -1.562 1.893 -4.385
330 H THR 44 HN THR 44 -2.251 4.246 -2.488
331 HA THR 44 HA THR 44 -4.986 4.850 -3.411
332 HB THR 44 HB THR 44 -4.237 7.135 -2.145
333 HG1 THR 44 HG1 THR 44 -2.365 6.101 -1.265
334 1HG2 THR 44 HG21 THR 44 -5.781 6.480 -0.381
335 2HG2 THR 44 HG22 THR 44 -5.639 4.789 -0.860
336 3HG2 THR 44 HG23 THR 44 -6.391 5.953 -1.950
337 H LYS 45 HN LYS 45 -5.226 6.358 -4.970
338 HA LYS 45 HA LYS 45 -3.108 8.089 -5.812
339 1HB LYS 45 HB2 LYS 45 -2.740 7.242 -8.026
340 2HB LYS 45 HB1 LYS 45 -2.424 5.934 -6.898
341 1HG LYS 45 HG2 LYS 45 -4.363 4.788 -7.498
342 2HG LYS 45 HG1 LYS 45 -5.092 6.219 -8.225
343 1HD LYS 45 HD2 LYS 45 -2.610 4.908 -9.328
344 2HD LYS 45 HD1 LYS 45 -4.242 4.467 -9.841
345 1HE LYS 45 HE2 LYS 45 -3.955 6.071 -11.388
346 2HE LYS 45 HE1 LYS 45 -4.344 7.162 -10.061
347 1HZ LYS 45 HZ1 LYS 45 -2.089 7.260 -11.562
348 2HZ LYS 45 HZ2 LYS 45 -1.550 6.481 -10.163
349 3HZ LYS 45 HZ3 LYS 45 -2.296 8.005 -10.057
350 H GLU 46 HN GLU 46 -3.734 9.334 -7.717
351 HA GLU 46 HA GLU 46 -6.466 10.180 -7.464
352 1HB GLU 46 HB2 GLU 46 -5.801 12.011 -8.934
353 2HB GLU 46 HB1 GLU 46 -4.627 11.810 -7.649
354 1HG GLU 46 HG2 GLU 46 -4.316 10.918 -10.509
355 2HG GLU 46 HG1 GLU 46 -3.538 12.304 -9.756
356 H CYS 47 HN CYS 47 -8.112 9.518 -8.711
357 HA CYS 47 HA CYS 47 -7.861 9.048 -11.472
358 1HB CYS 47 HB2 CYS 47 -7.948 6.776 -11.732
359 2HB CYS 47 HB1 CYS 47 -6.978 6.864 -10.274
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 -11.921 10.463 -6.570
2 2H ALA 1 HT2 ALA 1 -12.371 9.918 -8.108
3 3H ALA 1 HT3 ALA 1 -12.671 11.519 -7.657
4 HA ALA 1 HA ALA 1 -10.574 10.704 -9.088
5 1HB ALA 1 HB1 ALA 1 -10.651 13.079 -7.228
6 2HB ALA 1 HB2 ALA 1 -11.408 13.004 -8.819
7 3HB ALA 1 HB3 ALA 1 -9.653 12.911 -8.673
8 H THR 2 HN THR 2 -10.493 8.824 -7.043
9 HA THR 2 HA THR 2 -7.746 9.092 -6.174
10 HB THR 2 HB THR 2 -9.877 8.475 -4.117
11 HG1 THR 2 HG1 THR 2 -8.647 10.917 -4.854
12 1HG2 THR 2 HG21 THR 2 -6.954 8.432 -4.174
13 2HG2 THR 2 HG22 THR 2 -8.074 7.673 -3.043
14 3HG2 THR 2 HG23 THR 2 -7.616 9.362 -2.829
15 H CYS 3 HN CYS 3 -6.784 7.183 -6.522
16 HA CYS 3 HA CYS 3 -8.497 4.791 -6.623
17 1HB CYS 3 HB2 CYS 3 -6.126 5.607 -8.288
18 2HB CYS 3 HB1 CYS 3 -6.636 3.921 -8.183
19 H LYS 4 HN LYS 4 -8.066 3.172 -5.319
20 HA LYS 4 HA LYS 4 -5.485 3.114 -3.883
21 1HB LYS 4 HB2 LYS 4 -7.524 3.750 -2.514
22 2HB LYS 4 HB1 LYS 4 -8.172 2.156 -2.852
23 1HG LYS 4 HG2 LYS 4 -5.547 2.600 -1.446
24 2HG LYS 4 HG1 LYS 4 -7.087 2.462 -0.603
25 1HD LYS 4 HD2 LYS 4 -5.810 0.362 -2.359
26 2HD LYS 4 HD1 LYS 4 -5.907 0.332 -0.599
27 1HE LYS 4 HE2 LYS 4 -8.289 0.109 -0.668
28 2HE LYS 4 HE1 LYS 4 -8.317 0.387 -2.409
29 1HZ LYS 4 HZ1 LYS 4 -7.503 -1.705 -2.845
30 2HZ LYS 4 HZ2 LYS 4 -8.449 -2.018 -1.482
31 3HZ LYS 4 HZ3 LYS 4 -6.767 -1.879 -1.328
32 H ALA 5 HN ALA 5 -4.394 1.236 -3.908
33 HA ALA 5 HA ALA 5 -5.638 -1.301 -4.394
34 1HB ALA 5 HB1 ALA 5 -3.655 -0.565 -6.507
35 2HB ALA 5 HB2 ALA 5 -5.346 -0.107 -6.705
36 3HB ALA 5 HB3 ALA 5 -4.908 -1.806 -6.528
37 H GLU 6 HN GLU 6 -4.367 -2.904 -3.562
38 HA GLU 6 HA GLU 6 -2.080 -2.169 -2.072
39 1HB GLU 6 HB2 GLU 6 -3.025 -4.946 -2.845
40 2HB GLU 6 HB1 GLU 6 -1.791 -4.591 -1.662
41 1HG GLU 6 HG2 GLU 6 -3.963 -5.164 -0.661
42 2HG GLU 6 HG1 GLU 6 -3.373 -3.575 -0.191
43 H CYS 7 HN CYS 7 0.054 -2.407 -2.500
44 HA CYS 7 HA CYS 7 0.966 -2.202 -5.113
45 1HB CYS 7 HB2 CYS 7 2.276 -1.541 -3.101
46 2HB CYS 7 HB1 CYS 7 2.549 -3.244 -2.749
47 HA PRO 8 HA PRO 8 0.388 -6.343 -6.651
48 1HB PRO 8 HB2 PRO 8 2.172 -6.037 -8.769
49 2HB PRO 8 HB1 PRO 8 0.455 -5.628 -8.808
50 1HG PRO 8 HG2 PRO 8 2.818 -3.858 -8.382
51 2HG PRO 8 HG1 PRO 8 1.315 -3.535 -9.266
52 1HD PRO 8 HD2 PRO 8 1.748 -2.519 -6.823
53 2HD PRO 8 HD1 PRO 8 0.132 -3.059 -7.327
54 H THR 9 HN THR 9 3.622 -4.927 -6.441
55 HA THR 9 HA THR 9 4.851 -7.535 -6.129
56 HB THR 9 HB THR 9 6.966 -6.191 -5.889
57 HG1 THR 9 HG1 THR 9 5.345 -4.233 -5.385
58 1HG2 THR 9 HG21 THR 9 6.654 -6.967 -8.053
59 2HG2 THR 9 HG22 THR 9 6.778 -5.225 -8.301
60 3HG2 THR 9 HG23 THR 9 5.196 -6.004 -8.297
61 H TRP 10 HN TRP 10 3.003 -7.076 -4.118
62 HA TRP 10 HA TRP 10 4.752 -7.029 -1.787
63 1HB TRP 10 HB2 TRP 10 3.892 -4.694 -2.118
64 2HB TRP 10 HB1 TRP 10 2.260 -5.322 -1.910
65 HD1 TRP 10 HD1 TRP 10 1.591 -6.206 0.564
66 HE1 TRP 10 HE1 TRP 10 2.572 -5.617 2.889
67 HE3 TRP 10 HE3 TRP 10 5.954 -4.018 -0.936
68 HZ2 TRP 10 HZ2 TRP 10 4.905 -4.341 3.920
69 HZ3 TRP 10 HZ3 TRP 10 7.481 -3.120 0.763
70 HH2 TRP 10 HH2 TRP 10 6.966 -3.286 3.139
71 H ASP 11 HN ASP 11 4.298 -8.720 -0.597
72 HA ASP 11 HA ASP 11 1.566 -9.443 -0.020
73 1HB ASP 11 HB2 ASP 11 2.469 -10.739 -2.147
74 2HB ASP 11 HB1 ASP 11 3.273 -11.726 -0.926
75 H SER 12 HN SER 12 2.713 -8.416 1.854
76 HA SER 12 HA SER 12 3.439 -10.460 3.718
77 1HB SER 12 HB2 SER 12 5.602 -9.935 2.487
78 2HB SER 12 HB1 SER 12 5.505 -8.315 3.176
79 HG SER 12 HG SER 12 6.266 -10.669 4.336
80 H VAL 13 HN VAL 13 4.215 -9.203 5.840
81 HA VAL 13 HA VAL 13 2.020 -7.471 6.499
82 HB VAL 13 HB VAL 13 4.379 -8.336 8.183
83 1HG1 VAL 13 HG11 VAL 13 2.847 -7.757 10.085
84 2HG1 VAL 13 HG12 VAL 13 1.800 -6.962 8.909
85 3HG1 VAL 13 HG13 VAL 13 3.445 -6.379 9.161
86 1HG2 VAL 13 HG21 VAL 13 2.353 -9.908 7.189
87 2HG2 VAL 13 HG22 VAL 13 1.770 -9.474 8.796
88 3HG2 VAL 13 HG23 VAL 13 3.336 -10.264 8.610
89 H CYS 14 HN CYS 14 2.015 -5.371 6.190
90 HA CYS 14 HA CYS 14 4.437 -3.893 5.678
91 1HB CYS 14 HB2 CYS 14 2.298 -3.480 4.461
92 2HB CYS 14 HB1 CYS 14 1.584 -2.915 5.964
93 H ILE 15 HN ILE 15 5.679 -3.455 7.417
94 HA ILE 15 HA ILE 15 4.376 -2.717 9.936
95 HB ILE 15 HB ILE 15 7.294 -3.321 9.410
96 1HG1 ILE 15 HG12 ILE 15 5.160 -5.043 10.697
97 2HG1 ILE 15 HG11 ILE 15 5.802 -5.276 9.075
98 1HG2 ILE 15 HG21 ILE 15 6.381 -1.852 11.442
99 2HG2 ILE 15 HG22 ILE 15 7.733 -2.972 11.611
100 3HG2 ILE 15 HG23 ILE 15 6.117 -3.457 12.125
101 1HD1 ILE 15 HD11 ILE 15 8.040 -5.641 10.074
102 2HD1 ILE 15 HD12 ILE 15 6.837 -6.837 10.559
103 3HD1 ILE 15 HD13 ILE 15 7.296 -5.547 11.671
104 H ASN 16 HN ASN 16 7.132 -1.645 7.961
105 HA ASN 16 HA ASN 16 6.853 1.045 9.067
106 1HB ASN 16 HB2 ASN 16 9.106 -0.161 8.922
107 2HB ASN 16 HB1 ASN 16 9.009 0.079 7.182
108 1HD2 ASN 16 HD21 ASN 16 10.351 1.259 9.874
109 2HD2 ASN 16 HD22 ASN 16 10.549 2.916 9.424
110 H LYS 17 HN LYS 17 6.526 2.845 7.742
111 HA LYS 17 HA LYS 17 4.846 2.409 5.501
112 1HB LYS 17 HB2 LYS 17 6.085 4.942 6.577
113 2HB LYS 17 HB1 LYS 17 4.896 4.897 5.282
114 1HG LYS 17 HG2 LYS 17 3.320 3.787 6.856
115 2HG LYS 17 HG1 LYS 17 4.504 4.036 8.140
116 1HD LYS 17 HD2 LYS 17 3.292 6.237 6.468
117 2HD LYS 17 HD1 LYS 17 2.730 5.773 8.074
118 1HE LYS 17 HE2 LYS 17 5.520 6.723 7.436
119 2HE LYS 17 HE1 LYS 17 4.236 7.746 8.078
120 1HZ LYS 17 HZ1 LYS 17 4.548 5.399 9.647
121 2HZ LYS 17 HZ2 LYS 17 4.648 7.021 10.118
122 3HZ LYS 17 HZ3 LYS 17 6.018 6.228 9.523
123 H LYS 18 HN LYS 18 8.251 3.237 5.839
124 HA LYS 18 HA LYS 18 8.828 4.213 3.324
125 1HB LYS 18 HB2 LYS 18 10.380 3.945 5.341
126 2HB LYS 18 HB1 LYS 18 10.666 2.310 4.771
127 1HG LYS 18 HG2 LYS 18 11.124 4.698 3.013
128 2HG LYS 18 HG1 LYS 18 12.353 4.111 4.131
129 1HD LYS 18 HD2 LYS 18 12.321 1.930 3.029
130 2HD LYS 18 HD1 LYS 18 11.067 2.499 1.926
131 1HE LYS 18 HE2 LYS 18 12.603 4.205 1.070
132 2HE LYS 18 HE1 LYS 18 13.855 3.625 2.167
133 1HZ LYS 18 HZ1 LYS 18 13.092 1.384 0.843
134 2HZ LYS 18 HZ2 LYS 18 14.455 2.319 0.484
135 3HZ LYS 18 HZ3 LYS 18 13.012 2.568 -0.363
136 HA PRO 19 HA PRO 19 9.619 -0.447 1.757
137 1HB PRO 19 HB2 PRO 19 7.530 -1.621 3.554
138 2HB PRO 19 HB1 PRO 19 8.986 -2.379 2.905
139 1HG PRO 19 HG2 PRO 19 8.957 -1.586 5.412
140 2HG PRO 19 HG1 PRO 19 10.383 -1.241 4.410
141 1HD PRO 19 HD2 PRO 19 8.168 0.588 5.250
142 2HD PRO 19 HD1 PRO 19 9.909 0.911 5.125
143 H CYS 20 HN CYS 20 6.432 0.406 3.058
144 HA CYS 20 HA CYS 20 4.931 -0.602 0.901
145 1HB CYS 20 HB2 CYS 20 4.041 -0.132 3.180
146 2HB CYS 20 HB1 CYS 20 4.167 1.590 2.843
147 H VAL 21 HN VAL 21 5.756 2.789 1.729
148 HA VAL 21 HA VAL 21 4.651 4.021 -0.515
149 HB VAL 21 HB VAL 21 7.165 4.835 0.976
150 1HG1 VAL 21 HG11 VAL 21 7.234 6.758 -0.187
151 2HG1 VAL 21 HG12 VAL 21 5.477 6.894 -0.261
152 3HG1 VAL 21 HG13 VAL 21 6.329 5.851 -1.400
153 1HG2 VAL 21 HG21 VAL 21 5.100 6.506 1.728
154 2HG2 VAL 21 HG22 VAL 21 5.761 5.174 2.677
155 3HG2 VAL 21 HG23 VAL 21 4.342 4.915 1.662
156 H ALA 22 HN ALA 22 7.917 2.663 -0.072
157 HA ALA 22 HA ALA 22 8.971 3.368 -2.574
158 1HB ALA 22 HB1 ALA 22 9.696 1.597 -0.395
159 2HB ALA 22 HB2 ALA 22 10.725 2.535 -1.478
160 3HB ALA 22 HB3 ALA 22 10.153 0.939 -1.966
161 H CYS 23 HN CYS 23 7.156 0.512 -1.546
162 HA CYS 23 HA CYS 23 7.298 -0.928 -3.961
163 1HB CYS 23 HB2 CYS 23 6.428 -1.669 -1.626
164 2HB CYS 23 HB1 CYS 23 4.896 -0.976 -2.140
165 H CYS 24 HN CYS 24 4.953 1.358 -2.683
166 HA CYS 24 HA CYS 24 3.156 1.342 -4.827
167 1HB CYS 24 HB2 CYS 24 3.796 3.492 -2.805
168 2HB CYS 24 HB1 CYS 24 2.397 3.513 -3.872
169 H LYS 25 HN LYS 25 6.046 3.315 -4.233
170 HA LYS 25 HA LYS 25 5.646 5.093 -6.371
171 1HB LYS 25 HB2 LYS 25 8.292 4.189 -5.222
172 2HB LYS 25 HB1 LYS 25 8.033 5.611 -6.221
173 1HG LYS 25 HG2 LYS 25 7.224 5.129 -3.382
174 2HG LYS 25 HG1 LYS 25 8.160 6.457 -4.063
175 1HD LYS 25 HD2 LYS 25 5.222 5.975 -4.565
176 2HD LYS 25 HD1 LYS 25 5.870 7.117 -3.388
177 1HE LYS 25 HE2 LYS 25 6.424 7.210 -6.348
178 2HE LYS 25 HE1 LYS 25 5.179 8.157 -5.535
179 1HZ LYS 25 HZ1 LYS 25 7.050 9.030 -4.103
180 2HZ LYS 25 HZ2 LYS 25 7.025 9.560 -5.708
181 3HZ LYS 25 HZ3 LYS 25 8.115 8.358 -5.234
182 H LYS 26 HN LYS 26 7.307 1.946 -6.237
183 HA LYS 26 HA LYS 26 8.186 2.070 -8.943
184 1HB LYS 26 HB2 LYS 26 9.057 -0.034 -8.661
185 2HB LYS 26 HB1 LYS 26 8.930 0.455 -6.980
186 1HG LYS 26 HG2 LYS 26 7.033 -0.887 -6.622
187 2HG LYS 26 HG1 LYS 26 6.767 -1.112 -8.352
188 1HD LYS 26 HD2 LYS 26 7.720 -3.130 -7.729
189 2HD LYS 26 HD1 LYS 26 9.112 -2.220 -8.315
190 1HE LYS 26 HE2 LYS 26 9.792 -3.242 -6.296
191 2HE LYS 26 HE1 LYS 26 9.519 -1.540 -5.919
192 1HZ LYS 26 HZ1 LYS 26 7.619 -2.015 -4.745
193 2HZ LYS 26 HZ2 LYS 26 8.564 -3.368 -4.378
194 3HZ LYS 26 HZ3 LYS 26 7.338 -3.482 -5.543
195 H ALA 27 HN ALA 27 5.233 1.090 -7.382
196 HA ALA 27 HA ALA 27 4.120 -0.180 -9.721
197 1HB ALA 27 HB1 ALA 27 3.466 0.004 -6.938
198 2HB ALA 27 HB2 ALA 27 2.858 -1.119 -8.155
199 3HB ALA 27 HB3 ALA 27 2.059 0.434 -7.911
200 H LYS 28 HN LYS 28 4.847 2.879 -9.162
201 HA LYS 28 HA LYS 28 4.296 4.853 -10.094
202 1HB LYS 28 HB2 LYS 28 3.837 3.312 -12.086
203 2HB LYS 28 HB1 LYS 28 2.137 3.473 -11.675
204 1HG LYS 28 HG2 LYS 28 2.173 5.812 -12.104
205 2HG LYS 28 HG1 LYS 28 3.932 5.818 -12.247
206 1HD LYS 28 HD2 LYS 28 2.026 4.373 -14.091
207 2HD LYS 28 HD1 LYS 28 2.828 5.906 -14.443
208 1HE LYS 28 HE2 LYS 28 5.006 4.811 -14.278
209 2HE LYS 28 HE1 LYS 28 4.217 3.282 -13.896
210 1HZ LYS 28 HZ1 LYS 28 4.788 3.284 -16.192
211 2HZ LYS 28 HZ2 LYS 28 4.056 4.787 -16.449
212 3HZ LYS 28 HZ3 LYS 28 3.106 3.433 -16.093
213 H PHE 29 HN PHE 29 3.316 4.420 -7.646
214 HA PHE 29 HA PHE 29 0.673 5.723 -7.719
215 1HB PHE 29 HB2 PHE 29 1.701 3.657 -5.775
216 2HB PHE 29 HB1 PHE 29 0.404 4.761 -5.345
217 HD1 PHE 29 HD1 PHE 29 -1.774 4.173 -5.773
218 HD2 PHE 29 HD2 PHE 29 1.340 2.275 -7.962
219 HE1 PHE 29 HE1 PHE 29 -3.419 2.643 -6.775
220 HE2 PHE 29 HE2 PHE 29 -0.300 0.745 -8.973
221 HZ PHE 29 HZ PHE 29 -2.682 0.927 -8.380
222 H SER 30 HN SER 30 0.377 7.419 -6.253
223 HA SER 30 HA SER 30 2.755 8.873 -5.661
224 1HB SER 30 HB2 SER 30 -0.026 9.602 -4.766
225 2HB SER 30 HB1 SER 30 1.317 10.678 -5.158
226 HG SER 30 HG SER 30 0.389 10.744 -7.053
227 H ASP 31 HN ASP 31 0.279 7.286 -3.693
228 HA ASP 31 HA ASP 31 1.983 7.691 -1.317
229 1HB ASP 31 HB2 ASP 31 0.065 8.987 -0.936
230 2HB ASP 31 HB1 ASP 31 -0.998 7.808 -1.690
231 H GLY 32 HN GLY 32 1.936 6.110 0.307
232 1HA GLY 32 HA2 GLY 32 0.871 3.473 -0.346
233 2HA GLY 32 HA1 GLY 32 2.616 3.611 -0.136
234 H HIS 33 HN HIS 33 0.012 2.612 1.450
235 HA HIS 33 HA HIS 33 1.215 3.205 4.040
236 1HB HIS 33 HB2 HIS 33 -0.890 3.997 5.006
237 2HB HIS 33 HB1 HIS 33 -0.380 5.034 3.681
238 HD1 HIS 33 HD1 HIS 33 -3.014 2.549 4.643
239 HD2 HIS 33 HD2 HIS 33 -2.086 5.020 1.435
240 HE1 HIS 33 HE1 HIS 33 -5.039 2.522 3.155
241 H CYS 34 HN CYS 34 0.861 1.684 5.577
242 HA CYS 34 HA CYS 34 0.072 -0.908 4.761
243 1HB CYS 34 HB2 CYS 34 0.320 0.044 7.615
244 2HB CYS 34 HB1 CYS 34 0.563 -1.585 6.997
245 H SER 35 HN SER 35 -1.777 -2.128 5.338
246 HA SER 35 HA SER 35 -4.129 -0.497 5.885
247 1HB SER 35 HB2 SER 35 -5.338 -2.677 5.318
248 2HB SER 35 HB1 SER 35 -4.440 -1.901 4.014
249 HG SER 35 HG SER 35 -2.924 -3.434 4.103
250 H LYS 36 HN LYS 36 -5.757 -2.590 6.888
251 HA LYS 36 HA LYS 36 -4.668 -2.867 9.606
252 1HB LYS 36 HB2 LYS 36 -6.491 -1.303 9.616
253 2HB LYS 36 HB1 LYS 36 -7.504 -2.397 8.685
254 1HG LYS 36 HG2 LYS 36 -7.538 -3.960 10.567
255 2HG LYS 36 HG1 LYS 36 -6.539 -2.846 11.503
256 1HD LYS 36 HD2 LYS 36 -8.294 -1.150 11.365
257 2HD LYS 36 HD1 LYS 36 -9.288 -2.250 10.407
258 1HE LYS 36 HE2 LYS 36 -9.341 -3.824 12.285
259 2HE LYS 36 HE1 LYS 36 -8.358 -2.715 13.240
260 1HZ LYS 36 HZ1 LYS 36 -10.087 -1.208 13.419
261 2HZ LYS 36 HZ2 LYS 36 -10.888 -2.692 13.550
262 3HZ LYS 36 HZ3 LYS 36 -10.929 -1.836 12.092
263 H ILE 37 HN ILE 37 -6.510 -4.429 7.049
264 HA ILE 37 HA ILE 37 -7.197 -6.765 8.473
265 HB ILE 37 HB ILE 37 -6.811 -6.662 5.491
266 1HG1 ILE 37 HG12 ILE 37 -9.268 -5.757 7.006
267 2HG1 ILE 37 HG11 ILE 37 -8.096 -4.662 6.279
268 1HG2 ILE 37 HG21 ILE 37 -8.044 -8.547 5.409
269 2HG2 ILE 37 HG22 ILE 37 -9.130 -8.013 6.692
270 3HG2 ILE 37 HG23 ILE 37 -7.563 -8.714 7.098
271 1HD1 ILE 37 HD11 ILE 37 -8.707 -6.249 4.169
272 2HD1 ILE 37 HD12 ILE 37 -9.491 -4.711 4.533
273 3HD1 ILE 37 HD13 ILE 37 -10.239 -6.224 5.043
274 H LEU 38 HN LEU 38 -5.514 -7.503 5.566
275 HA LEU 38 HA LEU 38 -3.787 -9.332 6.949
276 1HB LEU 38 HB2 LEU 38 -4.852 -9.734 4.700
277 2HB LEU 38 HB1 LEU 38 -3.720 -8.580 4.031
278 HG LEU 38 HG LEU 38 -1.851 -9.997 4.778
279 1HD1 LEU 38 HD11 LEU 38 -3.470 -11.099 6.553
280 2HD1 LEU 38 HD12 LEU 38 -2.083 -11.969 5.896
281 3HD1 LEU 38 HD13 LEU 38 -3.698 -12.272 5.256
282 1HD2 LEU 38 HD21 LEU 38 -1.898 -11.196 2.870
283 2HD2 LEU 38 HD22 LEU 38 -3.367 -10.271 2.562
284 3HD2 LEU 38 HD23 LEU 38 -3.474 -11.902 3.226
285 H ARG 39 HN ARG 39 -3.616 -6.202 6.771
286 HA ARG 39 HA ARG 39 -2.048 -4.599 7.004
287 1HB ARG 39 HB2 ARG 39 -1.244 -6.379 8.663
288 2HB ARG 39 HB1 ARG 39 -0.038 -6.796 7.455
289 1HG ARG 39 HG2 ARG 39 0.939 -5.326 9.067
290 2HG ARG 39 HG1 ARG 39 0.788 -4.472 7.531
291 1HD ARG 39 HD2 ARG 39 -1.257 -3.386 8.353
292 2HD ARG 39 HD1 ARG 39 -1.069 -4.221 9.896
293 HE ARG 39 HE ARG 39 1.301 -2.817 9.307
294 1HH1 ARG 39 HH11 ARG 39 -2.030 -2.159 10.164
295 2HH1 ARG 39 HH12 ARG 39 -1.657 -0.699 11.017
296 1HH2 ARG 39 HH21 ARG 39 1.799 -0.887 10.410
297 2HH2 ARG 39 HH22 ARG 39 0.532 0.031 11.157
298 H ARG 40 HN ARG 40 -2.560 -5.764 4.386
299 HA ARG 40 HA ARG 40 -0.118 -5.933 2.920
300 1HB ARG 40 HB2 ARG 40 -2.999 -5.591 2.136
301 2HB ARG 40 HB1 ARG 40 -1.724 -5.439 0.937
302 1HG ARG 40 HG2 ARG 40 -0.976 -7.712 1.451
303 2HG ARG 40 HG1 ARG 40 -2.272 -7.861 2.641
304 1HD ARG 40 HD2 ARG 40 -3.938 -7.563 0.892
305 2HD ARG 40 HD1 ARG 40 -2.665 -7.338 -0.306
306 HE ARG 40 HE ARG 40 -3.608 -9.822 0.788
307 1HH1 ARG 40 HH11 ARG 40 -0.972 -8.236 -0.901
308 2HH1 ARG 40 HH12 ARG 40 -0.236 -9.725 -1.404
309 1HH2 ARG 40 HH21 ARG 40 -2.599 -11.784 0.116
310 2HH2 ARG 40 HH22 ARG 40 -1.130 -11.718 -0.819
311 H CYS 41 HN CYS 41 0.672 -4.393 1.377
312 HA CYS 41 HA CYS 41 0.629 -1.704 2.381
313 1HB CYS 41 HB2 CYS 41 2.721 -2.554 1.572
314 2HB CYS 41 HB1 CYS 41 2.006 -3.012 0.032
315 H LEU 42 HN LEU 42 -1.036 -0.413 1.937
316 HA LEU 42 HA LEU 42 -2.523 -0.731 -0.546
317 1HB LEU 42 HB2 LEU 42 -2.975 0.656 2.046
318 2HB LEU 42 HB1 LEU 42 -3.752 1.341 0.629
319 HG LEU 42 HG LEU 42 -4.918 -0.772 0.230
320 1HD1 LEU 42 HD11 LEU 42 -4.450 -2.090 2.713
321 2HD1 LEU 42 HD12 LEU 42 -2.911 -1.841 1.889
322 3HD1 LEU 42 HD13 LEU 42 -4.221 -2.693 1.072
323 1HD2 LEU 42 HD21 LEU 42 -6.491 -0.599 1.965
324 2HD2 LEU 42 HD22 LEU 42 -5.784 1.010 1.822
325 3HD2 LEU 42 HD23 LEU 42 -5.276 -0.064 3.126
326 H CYS 43 HN CYS 43 -2.140 0.448 -2.271
327 HA CYS 43 HA CYS 43 -0.488 2.850 -1.970
328 1HB CYS 43 HB2 CYS 43 -1.028 1.140 -4.407
329 2HB CYS 43 HB1 CYS 43 0.021 2.553 -4.365
330 H THR 44 HN THR 44 -1.270 4.795 -2.547
331 HA THR 44 HA THR 44 -3.892 4.856 -3.882
332 HB THR 44 HB THR 44 -3.526 7.111 -2.124
333 HG1 THR 44 HG1 THR 44 -2.686 6.016 -0.476
334 1HG2 THR 44 HG21 THR 44 -5.763 6.726 -1.588
335 2HG2 THR 44 HG22 THR 44 -5.632 4.992 -1.879
336 3HG2 THR 44 HG23 THR 44 -5.625 6.117 -3.237
337 H LYS 45 HN LYS 45 -4.290 6.619 -5.185
338 HA LYS 45 HA LYS 45 -2.422 8.750 -5.486
339 1HB LYS 45 HB2 LYS 45 -1.674 8.278 -7.750
340 2HB LYS 45 HB1 LYS 45 -1.161 7.007 -6.653
341 1HG LYS 45 HG2 LYS 45 -2.968 5.576 -7.459
342 2HG LYS 45 HG1 LYS 45 -3.487 6.857 -8.561
343 1HD LYS 45 HD2 LYS 45 -1.364 6.770 -9.716
344 2HD LYS 45 HD1 LYS 45 -0.756 5.578 -8.566
345 1HE LYS 45 HE2 LYS 45 -2.584 4.049 -9.309
346 2HE LYS 45 HE1 LYS 45 -2.980 5.222 -10.565
347 1HZ LYS 45 HZ1 LYS 45 -0.200 4.637 -10.566
348 2HZ LYS 45 HZ2 LYS 45 -1.331 4.467 -11.817
349 3HZ LYS 45 HZ3 LYS 45 -1.103 3.210 -10.709
350 H GLU 46 HN GLU 46 -2.958 9.996 -7.573
351 HA GLU 46 HA GLU 46 -5.776 10.530 -7.500
352 1HB GLU 46 HB2 GLU 46 -5.106 12.323 -9.178
353 2HB GLU 46 HB1 GLU 46 -4.385 12.437 -7.578
354 1HG GLU 46 HG2 GLU 46 -2.390 11.211 -8.547
355 2HG GLU 46 HG1 GLU 46 -3.106 11.509 -10.129
356 H CYS 47 HN CYS 47 -7.164 10.518 -9.290
357 HA CYS 47 HA CYS 47 -6.512 9.505 -11.833
358 1HB CYS 47 HB2 CYS 47 -7.680 7.352 -11.736
359 2HB CYS 47 HB1 CYS 47 -6.309 7.367 -10.633
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 -8.406 11.068 -10.158
2 2H ALA 1 HT2 ALA 1 -9.771 10.935 -11.144
3 3H ALA 1 HT3 ALA 1 -8.385 10.021 -11.488
4 HA ALA 1 HA ALA 1 -10.307 9.698 -9.282
5 1HB ALA 1 HB1 ALA 1 -9.616 8.267 -11.724
6 2HB ALA 1 HB2 ALA 1 -11.075 8.181 -10.735
7 3HB ALA 1 HB3 ALA 1 -9.655 7.231 -10.297
8 H THR 2 HN THR 2 -9.696 7.714 -7.918
9 HA THR 2 HA THR 2 -6.835 7.869 -7.249
10 HB THR 2 HB THR 2 -9.062 7.370 -5.266
11 HG1 THR 2 HG1 THR 2 -8.078 9.709 -4.767
12 1HG2 THR 2 HG21 THR 2 -7.450 7.130 -3.723
13 2HG2 THR 2 HG22 THR 2 -6.551 8.521 -4.329
14 3HG2 THR 2 HG23 THR 2 -6.339 6.939 -5.080
15 H CYS 3 HN CYS 3 -6.003 6.036 -7.988
16 HA CYS 3 HA CYS 3 -7.531 3.567 -7.869
17 1HB CYS 3 HB2 CYS 3 -4.962 4.373 -9.217
18 2HB CYS 3 HB1 CYS 3 -5.465 2.685 -9.119
19 H LYS 4 HN LYS 4 -7.081 1.867 -6.598
20 HA LYS 4 HA LYS 4 -4.730 2.031 -4.832
21 1HB LYS 4 HB2 LYS 4 -6.647 2.754 -3.533
22 2HB LYS 4 HB1 LYS 4 -7.567 1.344 -4.042
23 1HG LYS 4 HG2 LYS 4 -5.637 0.005 -2.942
24 2HG LYS 4 HG1 LYS 4 -5.300 1.525 -2.110
25 1HD LYS 4 HD2 LYS 4 -6.763 0.067 -0.792
26 2HD LYS 4 HD1 LYS 4 -7.568 1.573 -1.238
27 1HE LYS 4 HE2 LYS 4 -9.015 -0.428 -1.497
28 2HE LYS 4 HE1 LYS 4 -8.784 0.466 -2.997
29 1HZ LYS 4 HZ1 LYS 4 -7.073 -1.852 -2.340
30 2HZ LYS 4 HZ2 LYS 4 -7.402 -1.173 -3.857
31 3HZ LYS 4 HZ3 LYS 4 -8.592 -2.071 -3.054
32 H ALA 5 HN ALA 5 -3.528 0.315 -5.003
33 HA ALA 5 HA ALA 5 -4.678 -2.340 -5.174
34 1HB ALA 5 HB1 ALA 5 -3.766 -2.995 -7.211
35 2HB ALA 5 HB2 ALA 5 -2.633 -1.644 -7.251
36 3HB ALA 5 HB3 ALA 5 -4.347 -1.367 -7.560
37 H GLU 6 HN GLU 6 -3.281 -3.888 -4.357
38 HA GLU 6 HA GLU 6 -1.255 -2.973 -2.631
39 1HB GLU 6 HB2 GLU 6 -1.630 -5.830 -3.543
40 2HB GLU 6 HB1 GLU 6 -0.960 -5.256 -2.025
41 1HG GLU 6 HG2 GLU 6 -3.066 -4.504 -1.258
42 2HG GLU 6 HG1 GLU 6 -3.799 -4.731 -2.842
43 H CYS 7 HN CYS 7 0.923 -3.000 -2.796
44 HA CYS 7 HA CYS 7 2.127 -2.584 -5.258
45 1HB CYS 7 HB2 CYS 7 3.044 -1.978 -2.964
46 2HB CYS 7 HB1 CYS 7 3.586 -3.647 -2.830
47 HA PRO 8 HA PRO 8 2.159 -6.615 -7.140
48 1HB PRO 8 HB2 PRO 8 4.585 -5.469 -8.450
49 2HB PRO 8 HB1 PRO 8 3.190 -6.277 -9.175
50 1HG PRO 8 HG2 PRO 8 3.433 -3.634 -9.308
51 2HG PRO 8 HG1 PRO 8 1.851 -4.386 -9.030
52 1HD PRO 8 HD2 PRO 8 3.645 -2.975 -7.111
53 2HD PRO 8 HD1 PRO 8 1.872 -3.021 -7.177
54 H THR 9 HN THR 9 5.184 -5.176 -5.998
55 HA THR 9 HA THR 9 6.335 -7.819 -5.570
56 HB THR 9 HB THR 9 8.373 -6.526 -4.885
57 HG1 THR 9 HG1 THR 9 7.128 -4.607 -4.297
58 1HG2 THR 9 HG21 THR 9 7.522 -7.141 -7.369
59 2HG2 THR 9 HG22 THR 9 9.072 -6.369 -7.037
60 3HG2 THR 9 HG23 THR 9 7.688 -5.392 -7.527
61 H TRP 10 HN TRP 10 4.187 -7.567 -3.989
62 HA TRP 10 HA TRP 10 5.339 -7.594 -1.344
63 1HB TRP 10 HB2 TRP 10 4.629 -5.175 -1.859
64 2HB TRP 10 HB1 TRP 10 2.975 -5.776 -1.794
65 HD1 TRP 10 HD1 TRP 10 2.280 -6.971 0.642
66 HE1 TRP 10 HE1 TRP 10 2.964 -6.250 3.024
67 HE3 TRP 10 HE3 TRP 10 6.338 -4.095 -0.525
68 HZ2 TRP 10 HZ2 TRP 10 4.971 -4.640 4.236
69 HZ3 TRP 10 HZ3 TRP 10 7.576 -2.996 1.294
70 HH2 TRP 10 HH2 TRP 10 6.904 -3.267 3.622
71 H ASP 11 HN ASP 11 4.282 -8.970 -0.040
72 HA ASP 11 HA ASP 11 1.570 -9.826 -0.618
73 1HB ASP 11 HB2 ASP 11 2.229 -12.235 -0.638
74 2HB ASP 11 HB1 ASP 11 2.833 -11.342 -2.028
75 H SER 12 HN SER 12 4.390 -9.796 1.367
76 HA SER 12 HA SER 12 3.352 -11.241 3.560
77 1HB SER 12 HB2 SER 12 5.655 -9.289 3.490
78 2HB SER 12 HB1 SER 12 5.367 -10.533 4.707
79 HG SER 12 HG SER 12 5.378 -11.550 2.162
80 H VAL 13 HN VAL 13 3.533 -10.174 5.800
81 HA VAL 13 HA VAL 13 1.438 -8.225 5.977
82 HB VAL 13 HB VAL 13 3.142 -9.518 8.118
83 1HG1 VAL 13 HG11 VAL 13 0.837 -8.794 9.357
84 2HG1 VAL 13 HG12 VAL 13 1.078 -7.440 8.253
85 3HG1 VAL 13 HG13 VAL 13 2.338 -7.870 9.409
86 1HG2 VAL 13 HG21 VAL 13 1.140 -10.611 6.514
87 2HG2 VAL 13 HG22 VAL 13 0.366 -10.289 8.066
88 3HG2 VAL 13 HG23 VAL 13 1.814 -11.294 7.994
89 H CYS 14 HN CYS 14 1.625 -6.098 6.262
90 HA CYS 14 HA CYS 14 4.161 -4.814 6.095
91 1HB CYS 14 HB2 CYS 14 2.579 -3.500 5.095
92 2HB CYS 14 HB1 CYS 14 1.319 -3.964 6.232
93 H ILE 15 HN ILE 15 5.467 -4.166 7.651
94 HA ILE 15 HA ILE 15 4.593 -4.429 10.431
95 HB ILE 15 HB ILE 15 7.405 -4.078 9.369
96 1HG1 ILE 15 HG12 ILE 15 5.996 -6.613 10.241
97 2HG1 ILE 15 HG11 ILE 15 6.346 -6.176 8.572
98 1HG2 ILE 15 HG21 ILE 15 6.625 -3.569 11.861
99 2HG2 ILE 15 HG22 ILE 15 8.180 -4.316 11.496
100 3HG2 ILE 15 HG23 ILE 15 6.819 -5.317 12.000
101 1HD1 ILE 15 HD11 ILE 15 8.074 -7.595 9.030
102 2HD1 ILE 15 HD12 ILE 15 8.182 -7.098 10.719
103 3HD1 ILE 15 HD13 ILE 15 8.807 -6.046 9.449
104 H ASN 16 HN ASN 16 5.595 -2.098 8.061
105 HA ASN 16 HA ASN 16 4.939 0.056 9.872
106 1HB ASN 16 HB2 ASN 16 7.368 -0.425 10.279
107 2HB ASN 16 HB1 ASN 16 7.683 -0.035 8.593
108 1HD2 ASN 16 HD21 ASN 16 7.379 1.155 11.724
109 2HD2 ASN 16 HD22 ASN 16 7.440 2.843 11.359
110 H LYS 17 HN LYS 17 4.626 2.057 8.809
111 HA LYS 17 HA LYS 17 3.390 1.904 6.299
112 1HB LYS 17 HB2 LYS 17 2.791 3.551 7.989
113 2HB LYS 17 HB1 LYS 17 4.376 4.292 7.870
114 1HG LYS 17 HG2 LYS 17 3.097 5.741 6.642
115 2HG LYS 17 HG1 LYS 17 3.701 4.668 5.379
116 1HD LYS 17 HD2 LYS 17 1.655 3.589 5.144
117 2HD LYS 17 HD1 LYS 17 1.091 4.103 6.735
118 1HE LYS 17 HE2 LYS 17 -0.069 5.324 4.974
119 2HE LYS 17 HE1 LYS 17 0.931 6.412 5.934
120 1HZ LYS 17 HZ1 LYS 17 2.598 6.363 4.191
121 2HZ LYS 17 HZ2 LYS 17 1.112 6.867 3.553
122 3HZ LYS 17 HZ3 LYS 17 1.663 5.287 3.282
123 H LYS 18 HN LYS 18 6.617 3.055 7.236
124 HA LYS 18 HA LYS 18 7.406 4.287 4.900
125 1HB LYS 18 HB2 LYS 18 8.714 4.322 6.978
126 2HB LYS 18 HB1 LYS 18 9.161 2.640 6.725
127 1HG LYS 18 HG2 LYS 18 10.353 3.239 4.694
128 2HG LYS 18 HG1 LYS 18 9.864 4.923 4.887
129 1HD LYS 18 HD2 LYS 18 12.134 4.643 5.668
130 2HD LYS 18 HD1 LYS 18 11.079 4.996 7.036
131 1HE LYS 18 HE2 LYS 18 11.012 2.624 7.605
132 2HE LYS 18 HE1 LYS 18 12.039 2.255 6.220
133 1HZ LYS 18 HZ1 LYS 18 13.251 2.377 8.352
134 2HZ LYS 18 HZ2 LYS 18 12.845 4.015 8.470
135 3HZ LYS 18 HZ3 LYS 18 13.825 3.477 7.202
136 HA PRO 19 HA PRO 19 9.275 -0.015 3.237
137 1HB PRO 19 HB2 PRO 19 7.140 -1.680 4.515
138 2HB PRO 19 HB1 PRO 19 8.801 -2.120 4.109
139 1HG PRO 19 HG2 PRO 19 8.167 -1.588 6.615
140 2HG PRO 19 HG1 PRO 19 9.683 -0.962 5.937
141 1HD PRO 19 HD2 PRO 19 7.117 0.467 6.483
142 2HD PRO 19 HD1 PRO 19 8.788 1.040 6.660
143 H CYS 20 HN CYS 20 5.814 0.254 3.950
144 HA CYS 20 HA CYS 20 4.879 -0.751 1.494
145 1HB CYS 20 HB2 CYS 20 3.509 -0.536 3.565
146 2HB CYS 20 HB1 CYS 20 3.510 1.211 3.351
147 H VAL 21 HN VAL 21 5.316 2.596 2.644
148 HA VAL 21 HA VAL 21 4.505 3.916 0.316
149 HB VAL 21 HB VAL 21 6.649 4.811 2.261
150 1HG1 VAL 21 HG11 VAL 21 6.239 5.957 -0.089
151 2HG1 VAL 21 HG12 VAL 21 6.561 6.907 1.362
152 3HG1 VAL 21 HG13 VAL 21 4.906 6.712 0.784
153 1HG2 VAL 21 HG21 VAL 21 4.763 6.120 3.274
154 2HG2 VAL 21 HG22 VAL 21 4.671 4.374 3.504
155 3HG2 VAL 21 HG23 VAL 21 3.660 5.158 2.291
156 H ALA 22 HN ALA 22 7.661 2.598 1.228
157 HA ALA 22 HA ALA 22 9.143 3.635 -0.922
158 1HB ALA 22 HB1 ALA 22 9.810 0.944 0.156
159 2HB ALA 22 HB2 ALA 22 9.857 2.324 1.252
160 3HB ALA 22 HB3 ALA 22 10.863 2.314 -0.197
161 H CYS 23 HN CYS 23 7.409 0.549 -0.572
162 HA CYS 23 HA CYS 23 8.074 -0.511 -3.101
163 1HB CYS 23 HB2 CYS 23 6.941 -1.643 -1.044
164 2HB CYS 23 HB1 CYS 23 5.441 -1.051 -1.742
165 H CYS 24 HN CYS 24 5.316 1.350 -1.959
166 HA CYS 24 HA CYS 24 3.908 1.471 -4.394
167 1HB CYS 24 HB2 CYS 24 3.879 3.335 -2.015
168 2HB CYS 24 HB1 CYS 24 2.669 3.309 -3.289
169 H LYS 25 HN LYS 25 6.347 3.594 -2.959
170 HA LYS 25 HA LYS 25 6.073 5.712 -4.783
171 1HB LYS 25 HB2 LYS 25 7.328 5.679 -2.554
172 2HB LYS 25 HB1 LYS 25 8.665 4.966 -3.447
173 1HG LYS 25 HG2 LYS 25 8.850 7.418 -3.146
174 2HG LYS 25 HG1 LYS 25 8.860 6.907 -4.835
175 1HD LYS 25 HD2 LYS 25 7.450 8.890 -4.486
176 2HD LYS 25 HD1 LYS 25 6.512 7.508 -5.054
177 1HE LYS 25 HE2 LYS 25 5.930 7.054 -2.646
178 2HE LYS 25 HE1 LYS 25 6.669 8.607 -2.253
179 1HZ LYS 25 HZ1 LYS 25 4.347 8.163 -4.053
180 2HZ LYS 25 HZ2 LYS 25 5.086 9.662 -3.783
181 3HZ LYS 25 HZ3 LYS 25 4.303 8.866 -2.512
182 H LYS 26 HN LYS 26 8.295 2.918 -4.804
183 HA LYS 26 HA LYS 26 9.547 3.672 -7.234
184 1HB LYS 26 HB2 LYS 26 10.446 1.391 -7.297
185 2HB LYS 26 HB1 LYS 26 10.633 2.112 -5.705
186 1HG LYS 26 HG2 LYS 26 8.821 0.823 -4.837
187 2HG LYS 26 HG1 LYS 26 8.419 0.219 -6.445
188 1HD LYS 26 HD2 LYS 26 10.589 -0.920 -6.549
189 2HD LYS 26 HD1 LYS 26 10.971 -0.326 -4.930
190 1HE LYS 26 HE2 LYS 26 10.134 -2.666 -4.967
191 2HE LYS 26 HE1 LYS 26 9.162 -1.576 -3.977
192 1HZ LYS 26 HZ1 LYS 26 8.411 -2.036 -6.782
193 2HZ LYS 26 HZ2 LYS 26 7.433 -1.619 -5.465
194 3HZ LYS 26 HZ3 LYS 26 8.016 -3.204 -5.618
195 H ALA 27 HN ALA 27 6.597 1.970 -6.493
196 HA ALA 27 HA ALA 27 6.264 1.004 -9.210
197 1HB ALA 27 HB1 ALA 27 5.094 -0.509 -8.070
198 2HB ALA 27 HB2 ALA 27 3.828 0.712 -7.932
199 3HB ALA 27 HB3 ALA 27 5.013 0.519 -6.639
200 H LYS 28 HN LYS 28 6.181 3.952 -8.036
201 HA LYS 28 HA LYS 28 5.340 5.935 -8.642
202 1HB LYS 28 HB2 LYS 28 5.583 4.796 -10.980
203 2HB LYS 28 HB1 LYS 28 3.828 4.730 -10.935
204 1HG LYS 28 HG2 LYS 28 5.396 7.280 -10.575
205 2HG LYS 28 HG1 LYS 28 4.811 6.708 -12.136
206 1HD LYS 28 HD2 LYS 28 2.538 6.903 -11.445
207 2HD LYS 28 HD1 LYS 28 3.006 7.171 -9.767
208 1HE LYS 28 HE2 LYS 28 4.043 9.303 -10.416
209 2HE LYS 28 HE1 LYS 28 3.535 9.032 -12.083
210 1HZ LYS 28 HZ1 LYS 28 2.097 10.398 -10.276
211 2HZ LYS 28 HZ2 LYS 28 1.412 8.863 -10.108
212 3HZ LYS 28 HZ3 LYS 28 1.430 9.620 -11.618
213 H PHE 29 HN PHE 29 4.145 5.467 -6.626
214 HA PHE 29 HA PHE 29 1.278 5.840 -7.142
215 1HB PHE 29 HB2 PHE 29 2.496 4.000 -5.085
216 2HB PHE 29 HB1 PHE 29 0.874 4.650 -4.896
217 HD1 PHE 29 HD1 PHE 29 -0.954 3.695 -6.005
218 HD2 PHE 29 HD2 PHE 29 3.000 2.556 -7.086
219 HE1 PHE 29 HE1 PHE 29 -1.858 1.838 -7.341
220 HE2 PHE 29 HE2 PHE 29 2.101 0.703 -8.429
221 HZ PHE 29 HZ PHE 29 -0.330 0.340 -8.557
222 H SER 30 HN SER 30 0.250 7.280 -5.719
223 HA SER 30 HA SER 30 1.789 9.428 -4.829
224 1HB SER 30 HB2 SER 30 -0.976 8.749 -3.821
225 2HB SER 30 HB1 SER 30 -0.247 10.348 -3.982
226 HG SER 30 HG SER 30 -0.537 10.288 -6.127
227 H ASP 31 HN ASP 31 0.233 6.835 -2.979
228 HA ASP 31 HA ASP 31 2.320 6.850 -1.023
229 1HB ASP 31 HB2 ASP 31 0.878 8.793 -0.276
230 2HB ASP 31 HB1 ASP 31 -0.426 7.636 -0.020
231 H GLY 32 HN GLY 32 2.149 5.094 0.436
232 1HA GLY 32 HA2 GLY 32 0.202 3.048 -0.435
233 2HA GLY 32 HA1 GLY 32 1.837 2.684 0.112
234 H HIS 33 HN HIS 33 -0.902 1.900 1.083
235 HA HIS 33 HA HIS 33 -0.380 2.532 3.901
236 1HB HIS 33 HB2 HIS 33 -2.758 2.913 4.323
237 2HB HIS 33 HB1 HIS 33 -2.150 4.055 3.137
238 HD1 HIS 33 HD1 HIS 33 -4.511 1.200 3.549
239 HD2 HIS 33 HD2 HIS 33 -3.208 3.719 0.515
240 HE1 HIS 33 HE1 HIS 33 -6.085 0.820 1.629
241 H CYS 34 HN CYS 34 -0.538 0.862 5.193
242 HA CYS 34 HA CYS 34 -0.900 -1.753 4.118
243 1HB CYS 34 HB2 CYS 34 -0.718 -1.011 7.039
244 2HB CYS 34 HB1 CYS 34 -0.226 -2.519 6.270
245 H SER 35 HN SER 35 -2.652 -3.067 4.188
246 HA SER 35 HA SER 35 -5.177 -1.907 4.821
247 1HB SER 35 HB2 SER 35 -6.046 -4.212 4.208
248 2HB SER 35 HB1 SER 35 -5.123 -3.377 2.960
249 HG SER 35 HG SER 35 -3.936 -5.096 2.939
250 H LYS 36 HN LYS 36 -6.796 -3.566 5.971
251 HA LYS 36 HA LYS 36 -5.795 -3.769 8.697
252 1HB LYS 36 HB2 LYS 36 -7.852 -2.569 8.479
253 2HB LYS 36 HB1 LYS 36 -8.573 -3.856 7.523
254 1HG LYS 36 HG2 LYS 36 -8.586 -5.322 9.450
255 2HG LYS 36 HG1 LYS 36 -7.788 -4.083 10.421
256 1HD LYS 36 HD2 LYS 36 -9.705 -2.621 10.190
257 2HD LYS 36 HD1 LYS 36 -10.491 -3.779 9.114
258 1HE LYS 36 HE2 LYS 36 -11.384 -3.897 11.397
259 2HE LYS 36 HE1 LYS 36 -10.613 -5.405 10.911
260 1HZ LYS 36 HZ1 LYS 36 -8.603 -4.643 12.120
261 2HZ LYS 36 HZ2 LYS 36 -9.942 -4.896 13.123
262 3HZ LYS 36 HZ3 LYS 36 -9.489 -3.322 12.701
263 H ILE 37 HN ILE 37 -6.967 -5.810 6.110
264 HA ILE 37 HA ILE 37 -7.413 -8.132 7.669
265 HB ILE 37 HB ILE 37 -6.734 -8.151 4.737
266 1HG1 ILE 37 HG12 ILE 37 -9.456 -7.641 5.956
267 2HG1 ILE 37 HG11 ILE 37 -8.446 -6.399 5.222
268 1HG2 ILE 37 HG21 ILE 37 -7.432 -10.273 4.762
269 2HG2 ILE 37 HG22 ILE 37 -8.884 -9.861 5.674
270 3HG2 ILE 37 HG23 ILE 37 -7.369 -10.171 6.522
271 1HD1 ILE 37 HD11 ILE 37 -9.669 -6.856 3.401
272 2HD1 ILE 37 HD12 ILE 37 -10.113 -8.464 3.973
273 3HD1 ILE 37 HD13 ILE 37 -8.540 -8.200 3.218
274 H LEU 38 HN LEU 38 -5.305 -8.719 5.009
275 HA LEU 38 HA LEU 38 -3.470 -10.147 6.677
276 1HB LEU 38 HB2 LEU 38 -4.149 -10.782 4.332
277 2HB LEU 38 HB1 LEU 38 -3.142 -9.470 3.760
278 HG LEU 38 HG LEU 38 -1.182 -10.529 4.809
279 1HD1 LEU 38 HD11 LEU 38 -1.388 -12.150 6.305
280 2HD1 LEU 38 HD12 LEU 38 -2.202 -13.174 5.122
281 3HD1 LEU 38 HD13 LEU 38 -3.141 -12.071 6.129
282 1HD2 LEU 38 HD21 LEU 38 -2.350 -11.140 2.436
283 2HD2 LEU 38 HD22 LEU 38 -2.204 -12.738 3.168
284 3HD2 LEU 38 HD23 LEU 38 -0.771 -11.731 2.956
285 H ARG 39 HN ARG 39 -3.785 -7.004 6.291
286 HA ARG 39 HA ARG 39 -2.508 -5.168 6.636
287 1HB ARG 39 HB2 ARG 39 -1.674 -6.752 8.487
288 2HB ARG 39 HB1 ARG 39 -0.270 -7.009 7.464
289 1HG ARG 39 HG2 ARG 39 0.171 -5.344 9.173
290 2HG ARG 39 HG1 ARG 39 0.246 -4.630 7.560
291 1HD ARG 39 HD2 ARG 39 -1.983 -3.727 7.826
292 2HD ARG 39 HD1 ARG 39 -2.138 -4.509 9.398
293 HE ARG 39 HE ARG 39 0.093 -2.939 9.616
294 1HH1 ARG 39 HH11 ARG 39 -3.227 -2.371 8.693
295 2HH1 ARG 39 HH12 ARG 39 -3.298 -0.790 9.405
296 1HH2 ARG 39 HH21 ARG 39 0.021 -0.849 10.565
297 2HH2 ARG 39 HH22 ARG 39 -1.440 0.078 10.480
298 H ARG 40 HN ARG 40 -2.539 -6.468 4.069
299 HA ARG 40 HA ARG 40 0.047 -6.461 2.893
300 1HB ARG 40 HB2 ARG 40 -2.706 -6.240 1.687
301 2HB ARG 40 HB1 ARG 40 -1.237 -6.320 0.729
302 1HG ARG 40 HG2 ARG 40 -0.744 -8.518 1.784
303 2HG ARG 40 HG1 ARG 40 -2.328 -8.437 2.565
304 1HD ARG 40 HD2 ARG 40 -3.402 -8.267 0.390
305 2HD ARG 40 HD1 ARG 40 -1.831 -8.307 -0.402
306 HE ARG 40 HE ARG 40 -2.191 -10.606 1.200
307 1HH1 ARG 40 HH11 ARG 40 -3.165 -9.104 -1.802
308 2HH1 ARG 40 HH12 ARG 40 -3.544 -10.613 -2.583
309 1HH2 ARG 40 HH21 ARG 40 -2.674 -12.612 0.176
310 2HH2 ARG 40 HH22 ARG 40 -3.262 -12.615 -1.452
311 H CYS 41 HN CYS 41 0.857 -4.955 1.322
312 HA CYS 41 HA CYS 41 0.467 -2.219 2.151
313 1HB CYS 41 HB2 CYS 41 2.725 -3.004 1.765
314 2HB CYS 41 HB1 CYS 41 2.318 -3.476 0.120
315 H LEU 42 HN LEU 42 -1.481 -1.469 1.411
316 HA LEU 42 HA LEU 42 -2.214 -1.814 -1.386
317 1HB LEU 42 HB2 LEU 42 -3.542 -0.710 1.053
318 2HB LEU 42 HB1 LEU 42 -4.117 -0.170 -0.514
319 HG LEU 42 HG LEU 42 -4.587 -2.531 -1.121
320 1HD1 LEU 42 HD11 LEU 42 -4.522 -3.603 1.553
321 2HD1 LEU 42 HD12 LEU 42 -2.911 -3.120 1.021
322 3HD1 LEU 42 HD13 LEU 42 -3.854 -4.260 0.059
323 1HD2 LEU 42 HD21 LEU 42 -6.020 -2.325 1.423
324 2HD2 LEU 42 HD22 LEU 42 -6.636 -2.393 -0.228
325 3HD2 LEU 42 HD23 LEU 42 -6.066 -0.863 0.438
326 H CYS 43 HN CYS 43 -1.425 -0.470 -2.876
327 HA CYS 43 HA CYS 43 -0.408 2.128 -2.039
328 1HB CYS 43 HB2 CYS 43 -0.192 0.737 -4.712
329 2HB CYS 43 HB1 CYS 43 0.647 2.205 -4.236
330 H THR 44 HN THR 44 -1.239 4.029 -2.644
331 HA THR 44 HA THR 44 -3.617 3.998 -4.386
332 HB THR 44 HB THR 44 -3.937 6.287 -2.971
333 HG1 THR 44 HG1 THR 44 -2.065 5.437 -1.630
334 1HG2 THR 44 HG21 THR 44 -5.883 5.262 -2.654
335 2HG2 THR 44 HG22 THR 44 -5.148 4.250 -1.411
336 3HG2 THR 44 HG23 THR 44 -5.153 3.718 -3.092
337 H LYS 45 HN LYS 45 -3.758 5.586 -5.957
338 HA LYS 45 HA LYS 45 -1.900 7.779 -6.050
339 1HB LYS 45 HB2 LYS 45 -0.720 7.197 -8.039
340 2HB LYS 45 HB1 LYS 45 -0.508 5.896 -6.879
341 1HG LYS 45 HG2 LYS 45 -2.076 4.512 -8.057
342 2HG LYS 45 HG1 LYS 45 -2.487 5.842 -9.148
343 1HD LYS 45 HD2 LYS 45 -0.290 5.847 -10.080
344 2HD LYS 45 HD1 LYS 45 0.289 4.712 -8.863
345 1HE LYS 45 HE2 LYS 45 -1.345 3.047 -9.793
346 2HE LYS 45 HE1 LYS 45 -1.634 4.180 -11.115
347 1HZ LYS 45 HZ1 LYS 45 0.349 2.288 -10.989
348 2HZ LYS 45 HZ2 LYS 45 1.152 3.748 -10.691
349 3HZ LYS 45 HZ3 LYS 45 0.240 3.556 -12.104
350 H GLU 46 HN GLU 46 -2.009 8.827 -8.281
351 HA GLU 46 HA GLU 46 -4.773 9.437 -8.743
352 1HB GLU 46 HB2 GLU 46 -3.946 11.232 -10.109
353 2HB GLU 46 HB1 GLU 46 -2.965 11.154 -8.655
354 1HG GLU 46 HG2 GLU 46 -2.083 9.806 -11.171
355 2HG GLU 46 HG1 GLU 46 -1.824 11.529 -10.936
356 H CYS 47 HN CYS 47 -5.926 9.172 -10.636
357 HA CYS 47 HA CYS 47 -4.822 8.043 -12.995
358 1HB CYS 47 HB2 CYS 47 -6.086 5.914 -12.959
359 2HB CYS 47 HB1 CYS 47 -4.838 5.978 -11.722
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 -12.880 11.709 -6.806
2 2H ALA 1 HT2 ALA 1 -12.188 10.533 -5.807
3 3H ALA 1 HT3 ALA 1 -12.571 10.162 -7.414
4 HA ALA 1 HA ALA 1 -10.718 11.007 -8.215
5 1HB ALA 1 HB1 ALA 1 -9.819 13.154 -6.781
6 2HB ALA 1 HB2 ALA 1 -11.564 13.260 -6.552
7 3HB ALA 1 HB3 ALA 1 -10.889 13.242 -8.181
8 H THR 2 HN THR 2 -10.724 8.946 -6.367
9 HA THR 2 HA THR 2 -8.034 9.142 -5.320
10 HB THR 2 HB THR 2 -10.278 8.317 -3.464
11 HG1 THR 2 HG1 THR 2 -8.995 10.809 -3.864
12 1HG2 THR 2 HG21 THR 2 -8.644 8.183 -1.777
13 2HG2 THR 2 HG22 THR 2 -7.458 9.069 -2.736
14 3HG2 THR 2 HG23 THR 2 -7.892 7.418 -3.178
15 H CYS 3 HN CYS 3 -7.044 7.318 -5.887
16 HA CYS 3 HA CYS 3 -8.698 4.924 -6.320
17 1HB CYS 3 HB2 CYS 3 -6.216 5.923 -7.703
18 2HB CYS 3 HB1 CYS 3 -6.724 4.239 -7.823
19 H LYS 4 HN LYS 4 -8.173 3.030 -5.395
20 HA LYS 4 HA LYS 4 -5.767 2.951 -3.690
21 1HB LYS 4 HB2 LYS 4 -8.482 1.755 -3.076
22 2HB LYS 4 HB1 LYS 4 -7.041 1.585 -2.085
23 1HG LYS 4 HG2 LYS 4 -7.039 4.066 -1.809
24 2HG LYS 4 HG1 LYS 4 -8.604 4.094 -2.624
25 1HD LYS 4 HD2 LYS 4 -7.991 2.531 -0.117
26 2HD LYS 4 HD1 LYS 4 -8.780 4.110 -0.150
27 1HE LYS 4 HE2 LYS 4 -10.584 3.149 -1.538
28 2HE LYS 4 HE1 LYS 4 -9.808 1.571 -1.420
29 1HZ LYS 4 HZ1 LYS 4 -10.734 1.234 0.552
30 2HZ LYS 4 HZ2 LYS 4 -11.662 2.627 0.309
31 3HZ LYS 4 HZ3 LYS 4 -10.199 2.723 1.151
32 H ALA 5 HN ALA 5 -4.541 1.185 -3.860
33 HA ALA 5 HA ALA 5 -5.523 -1.321 -4.856
34 1HB ALA 5 HB1 ALA 5 -3.444 -0.942 -6.651
35 2HB ALA 5 HB2 ALA 5 -4.340 0.576 -6.709
36 3HB ALA 5 HB3 ALA 5 -5.166 -0.949 -7.031
37 H GLU 6 HN GLU 6 -4.194 -2.970 -4.221
38 HA GLU 6 HA GLU 6 -2.227 -2.454 -2.273
39 1HB GLU 6 HB2 GLU 6 -2.390 -5.047 -3.786
40 2HB GLU 6 HB1 GLU 6 -2.014 -4.778 -2.092
41 1HG GLU 6 HG2 GLU 6 -4.236 -4.429 -1.514
42 2HG GLU 6 HG1 GLU 6 -4.720 -4.124 -3.180
43 H CYS 7 HN CYS 7 -0.002 -2.492 -2.398
44 HA CYS 7 HA CYS 7 1.192 -1.588 -4.753
45 1HB CYS 7 HB2 CYS 7 2.209 -1.295 -2.504
46 2HB CYS 7 HB1 CYS 7 2.604 -3.012 -2.483
47 HA PRO 8 HA PRO 8 1.281 -5.214 -7.304
48 1HB PRO 8 HB2 PRO 8 3.616 -3.791 -8.488
49 2HB PRO 8 HB1 PRO 8 2.188 -4.466 -9.281
50 1HG PRO 8 HG2 PRO 8 2.427 -1.840 -8.933
51 2HG PRO 8 HG1 PRO 8 0.860 -2.644 -8.731
52 1HD PRO 8 HD2 PRO 8 2.751 -1.627 -6.657
53 2HD PRO 8 HD1 PRO 8 0.976 -1.628 -6.664
54 H THR 9 HN THR 9 4.297 -3.882 -5.992
55 HA THR 9 HA THR 9 5.481 -6.553 -6.064
56 HB THR 9 HB THR 9 7.580 -5.342 -5.332
57 HG1 THR 9 HG1 THR 9 6.196 -3.413 -4.675
58 1HG2 THR 9 HG21 THR 9 6.413 -4.355 -7.932
59 2HG2 THR 9 HG22 THR 9 7.033 -5.988 -7.692
60 3HG2 THR 9 HG23 THR 9 8.115 -4.603 -7.543
61 H TRP 10 HN TRP 10 3.430 -6.369 -4.261
62 HA TRP 10 HA TRP 10 4.892 -6.505 -1.715
63 1HB TRP 10 HB2 TRP 10 3.450 -4.407 -1.939
64 2HB TRP 10 HB1 TRP 10 2.057 -5.483 -1.921
65 HD1 TRP 10 HD1 TRP 10 1.337 -6.521 0.404
66 HE1 TRP 10 HE1 TRP 10 2.080 -6.075 2.834
67 HE3 TRP 10 HE3 TRP 10 5.507 -3.711 -0.522
68 HZ2 TRP 10 HZ2 TRP 10 4.156 -4.674 4.175
69 HZ3 TRP 10 HZ3 TRP 10 6.795 -2.841 1.382
70 HH2 TRP 10 HH2 TRP 10 6.133 -3.319 3.679
71 H ASP 11 HN ASP 11 4.718 -8.441 -0.848
72 HA ASP 11 HA ASP 11 2.229 -9.936 -0.998
73 1HB ASP 11 HB2 ASP 11 3.814 -10.572 -2.971
74 2HB ASP 11 HB1 ASP 11 4.776 -11.370 -1.732
75 H SER 12 HN SER 12 2.835 -8.809 1.181
76 HA SER 12 HA SER 12 3.593 -10.898 3.000
77 1HB SER 12 HB2 SER 12 5.283 -8.384 2.830
78 2HB SER 12 HB1 SER 12 5.387 -9.588 4.113
79 HG SER 12 HG SER 12 5.576 -10.773 1.695
80 H VAL 13 HN VAL 13 3.479 -10.038 5.304
81 HA VAL 13 HA VAL 13 1.033 -8.540 5.579
82 HB VAL 13 HB VAL 13 2.926 -9.634 7.684
83 1HG1 VAL 13 HG11 VAL 13 0.054 -8.939 8.155
84 2HG1 VAL 13 HG12 VAL 13 1.315 -7.715 8.301
85 3HG1 VAL 13 HG13 VAL 13 1.358 -9.151 9.324
86 1HG2 VAL 13 HG21 VAL 13 1.606 -11.174 6.003
87 2HG2 VAL 13 HG22 VAL 13 0.266 -10.829 7.097
88 3HG2 VAL 13 HG23 VAL 13 1.734 -11.586 7.713
89 H CYS 14 HN CYS 14 0.886 -6.421 5.897
90 HA CYS 14 HA CYS 14 3.206 -4.754 5.918
91 1HB CYS 14 HB2 CYS 14 0.805 -4.337 4.952
92 2HB CYS 14 HB1 CYS 14 0.442 -3.781 6.580
93 H ILE 15 HN ILE 15 4.389 -4.335 7.677
94 HA ILE 15 HA ILE 15 3.148 -4.620 10.313
95 HB ILE 15 HB ILE 15 6.075 -4.317 9.610
96 1HG1 ILE 15 HG12 ILE 15 4.526 -6.799 10.392
97 2HG1 ILE 15 HG11 ILE 15 5.055 -6.418 8.757
98 1HG2 ILE 15 HG21 ILE 15 5.000 -5.357 12.204
99 2HG2 ILE 15 HG22 ILE 15 5.184 -3.624 11.936
100 3HG2 ILE 15 HG23 ILE 15 6.590 -4.685 11.845
101 1HD1 ILE 15 HD11 ILE 15 6.867 -6.868 11.117
102 2HD1 ILE 15 HD12 ILE 15 7.373 -6.549 9.458
103 3HD1 ILE 15 HD13 ILE 15 6.515 -8.040 9.848
104 H ASN 16 HN ASN 16 5.305 -2.390 8.584
105 HA ASN 16 HA ASN 16 4.288 -0.218 10.287
106 1HB ASN 16 HB2 ASN 16 6.727 -0.816 10.579
107 2HB ASN 16 HB1 ASN 16 6.985 -0.305 8.916
108 1HD2 ASN 16 HD21 ASN 16 6.998 0.645 12.100
109 2HD2 ASN 16 HD22 ASN 16 7.005 2.358 11.872
110 H LYS 17 HN LYS 17 3.965 1.816 9.278
111 HA LYS 17 HA LYS 17 2.748 1.679 6.746
112 1HB LYS 17 HB2 LYS 17 1.996 3.269 8.395
113 2HB LYS 17 HB1 LYS 17 3.573 4.041 8.437
114 1HG LYS 17 HG2 LYS 17 3.269 4.806 6.140
115 2HG LYS 17 HG1 LYS 17 1.691 4.018 6.085
116 1HD LYS 17 HD2 LYS 17 0.805 5.488 7.729
117 2HD LYS 17 HD1 LYS 17 2.404 6.126 8.114
118 1HE LYS 17 HE2 LYS 17 1.130 7.706 6.762
119 2HE LYS 17 HE1 LYS 17 2.548 7.126 5.892
120 1HZ LYS 17 HZ1 LYS 17 -0.290 6.488 5.421
121 2HZ LYS 17 HZ2 LYS 17 0.918 5.436 4.884
122 3HZ LYS 17 HZ3 LYS 17 0.873 7.033 4.320
123 H LYS 18 HN LYS 18 5.950 2.786 7.762
124 HA LYS 18 HA LYS 18 6.766 4.168 5.524
125 1HB LYS 18 HB2 LYS 18 8.424 2.363 7.284
126 2HB LYS 18 HB1 LYS 18 9.090 3.496 6.116
127 1HG LYS 18 HG2 LYS 18 8.047 5.350 7.329
128 2HG LYS 18 HG1 LYS 18 7.401 4.207 8.507
129 1HD LYS 18 HD2 LYS 18 9.408 5.234 9.385
130 2HD LYS 18 HD1 LYS 18 9.709 3.525 9.064
131 1HE LYS 18 HE2 LYS 18 10.793 4.115 6.951
132 2HE LYS 18 HE1 LYS 18 10.487 5.822 7.268
133 1HZ LYS 18 HZ1 LYS 18 12.686 4.346 8.047
134 2HZ LYS 18 HZ2 LYS 18 11.813 4.630 9.467
135 3HZ LYS 18 HZ3 LYS 18 12.305 5.930 8.504
136 HA PRO 19 HA PRO 19 8.495 -0.028 3.502
137 1HB PRO 19 HB2 PRO 19 6.370 -1.763 4.696
138 2HB PRO 19 HB1 PRO 19 8.021 -2.184 4.233
139 1HG PRO 19 HG2 PRO 19 7.427 -1.835 6.781
140 2HG PRO 19 HG1 PRO 19 8.939 -1.172 6.129
141 1HD PRO 19 HD2 PRO 19 6.389 0.233 6.806
142 2HD PRO 19 HD1 PRO 19 8.066 0.774 7.019
143 H CYS 20 HN CYS 20 5.053 0.199 4.322
144 HA CYS 20 HA CYS 20 4.064 -0.603 1.809
145 1HB CYS 20 HB2 CYS 20 2.736 -0.612 3.903
146 2HB CYS 20 HB1 CYS 20 2.744 1.146 3.901
147 H VAL 21 HN VAL 21 4.468 2.640 3.243
148 HA VAL 21 HA VAL 21 3.567 4.135 1.064
149 HB VAL 21 HB VAL 21 5.667 4.864 3.118
150 1HG1 VAL 21 HG11 VAL 21 4.294 7.140 2.156
151 2HG1 VAL 21 HG12 VAL 21 4.876 6.244 0.754
152 3HG1 VAL 21 HG13 VAL 21 6.008 6.755 2.007
153 1HG2 VAL 21 HG21 VAL 21 2.688 5.101 3.004
154 2HG2 VAL 21 HG22 VAL 21 3.642 6.233 3.963
155 3HG2 VAL 21 HG23 VAL 21 3.713 4.505 4.309
156 H ALA 22 HN ALA 22 6.804 2.887 1.791
157 HA ALA 22 HA ALA 22 8.165 4.130 -0.334
158 1HB ALA 22 HB1 ALA 22 9.527 3.191 1.317
159 2HB ALA 22 HB2 ALA 22 9.744 2.119 -0.066
160 3HB ALA 22 HB3 ALA 22 8.686 1.642 1.262
161 H CYS 23 HN CYS 23 6.578 0.972 -0.090
162 HA CYS 23 HA CYS 23 7.141 0.032 -2.678
163 1HB CYS 23 HB2 CYS 23 6.106 -1.176 -0.614
164 2HB CYS 23 HB1 CYS 23 4.573 -0.582 -1.232
165 H CYS 24 HN CYS 24 4.492 1.923 -1.369
166 HA CYS 24 HA CYS 24 2.932 2.026 -3.707
167 1HB CYS 24 HB2 CYS 24 3.066 3.877 -1.325
168 2HB CYS 24 HB1 CYS 24 1.822 3.950 -2.572
169 H LYS 25 HN LYS 25 5.331 4.333 -2.413
170 HA LYS 25 HA LYS 25 4.944 6.245 -4.432
171 1HB LYS 25 HB2 LYS 25 7.301 5.723 -2.634
172 2HB LYS 25 HB1 LYS 25 7.224 7.085 -3.749
173 1HG LYS 25 HG2 LYS 25 5.105 7.783 -2.644
174 2HG LYS 25 HG1 LYS 25 5.367 6.511 -1.453
175 1HD LYS 25 HD2 LYS 25 7.479 7.554 -0.803
176 2HD LYS 25 HD1 LYS 25 7.223 8.824 -2.004
177 1HE LYS 25 HE2 LYS 25 5.411 8.226 0.332
178 2HE LYS 25 HE1 LYS 25 6.584 9.542 0.263
179 1HZ LYS 25 HZ1 LYS 25 3.966 9.319 -0.977
180 2HZ LYS 25 HZ2 LYS 25 5.174 9.987 -1.959
181 3HZ LYS 25 HZ3 LYS 25 4.815 10.693 -0.466
182 H LYS 26 HN LYS 26 7.162 3.467 -4.300
183 HA LYS 26 HA LYS 26 8.465 4.150 -6.743
184 1HB LYS 26 HB2 LYS 26 9.149 1.708 -6.776
185 2HB LYS 26 HB1 LYS 26 9.648 2.625 -5.362
186 1HG LYS 26 HG2 LYS 26 8.099 1.577 -3.985
187 2HG LYS 26 HG1 LYS 26 7.134 1.009 -5.347
188 1HD LYS 26 HD2 LYS 26 9.938 0.062 -4.800
189 2HD LYS 26 HD1 LYS 26 8.501 -0.744 -4.165
190 1HE LYS 26 HE2 LYS 26 7.697 -0.833 -6.585
191 2HE LYS 26 HE1 LYS 26 9.350 -0.407 -7.027
192 1HZ LYS 26 HZ1 LYS 26 9.838 -2.415 -5.399
193 2HZ LYS 26 HZ2 LYS 26 9.538 -2.647 -7.046
194 3HZ LYS 26 HZ3 LYS 26 8.296 -2.891 -5.918
195 H ALA 27 HN ALA 27 5.552 2.413 -5.905
196 HA ALA 27 HA ALA 27 5.086 1.421 -8.578
197 1HB ALA 27 HB1 ALA 27 4.134 0.783 -6.036
198 2HB ALA 27 HB2 ALA 27 3.639 0.067 -7.570
199 3HB ALA 27 HB3 ALA 27 2.741 1.430 -6.902
200 H LYS 28 HN LYS 28 5.105 4.392 -7.465
201 HA LYS 28 HA LYS 28 4.359 6.378 -8.214
202 1HB LYS 28 HB2 LYS 28 4.256 4.959 -10.434
203 2HB LYS 28 HB1 LYS 28 2.522 5.160 -10.222
204 1HG LYS 28 HG2 LYS 28 3.491 6.872 -11.686
205 2HG LYS 28 HG1 LYS 28 2.765 7.569 -10.235
206 1HD LYS 28 HD2 LYS 28 4.939 8.596 -10.766
207 2HD LYS 28 HD1 LYS 28 4.957 7.774 -9.205
208 1HE LYS 28 HE2 LYS 28 5.946 5.783 -10.393
209 2HE LYS 28 HE1 LYS 28 6.130 6.816 -11.810
210 1HZ LYS 28 HZ1 LYS 28 7.725 6.676 -9.443
211 2HZ LYS 28 HZ2 LYS 28 7.235 8.260 -9.777
212 3HZ LYS 28 HZ3 LYS 28 8.083 7.375 -10.942
213 H PHE 29 HN PHE 29 3.268 5.775 -5.990
214 HA PHE 29 HA PHE 29 0.455 6.583 -6.249
215 1HB PHE 29 HB2 PHE 29 1.575 4.474 -4.398
216 2HB PHE 29 HB1 PHE 29 0.055 5.296 -4.067
217 HD1 PHE 29 HD1 PHE 29 1.783 3.192 -6.597
218 HD2 PHE 29 HD2 PHE 29 -1.929 4.538 -5.011
219 HE1 PHE 29 HE1 PHE 29 0.595 1.554 -7.995
220 HE2 PHE 29 HE2 PHE 29 -3.123 2.902 -6.406
221 HZ PHE 29 HZ PHE 29 -1.861 1.406 -7.900
222 H SER 30 HN SER 30 -0.254 8.022 -4.634
223 HA SER 30 HA SER 30 1.669 9.843 -3.737
224 1HB SER 30 HB2 SER 30 -1.144 9.578 -2.677
225 2HB SER 30 HB1 SER 30 -0.155 11.037 -2.754
226 HG SER 30 HG SER 30 -0.731 11.307 -4.764
227 H ASP 31 HN ASP 31 -0.220 7.439 -1.904
228 HA ASP 31 HA ASP 31 1.899 7.151 0.025
229 1HB ASP 31 HB2 ASP 31 0.962 9.153 0.960
230 2HB ASP 31 HB1 ASP 31 -0.676 8.530 0.805
231 H GLY 32 HN GLY 32 1.648 5.321 1.343
232 1HA GLY 32 HA2 GLY 32 -0.615 3.592 0.567
233 2HA GLY 32 HA1 GLY 32 1.002 2.995 0.915
234 H HIS 33 HN HIS 33 -1.478 2.168 2.077
235 HA HIS 33 HA HIS 33 -0.820 2.655 4.891
236 1HB HIS 33 HB2 HIS 33 -3.263 2.790 5.424
237 2HB HIS 33 HB1 HIS 33 -2.661 4.158 4.499
238 HD1 HIS 33 HD1 HIS 33 -3.283 4.112 1.859
239 HD2 HIS 33 HD2 HIS 33 -5.359 1.446 4.282
240 HE1 HIS 33 HE1 HIS 33 -5.231 3.323 0.487
241 H CYS 34 HN CYS 34 -0.915 0.868 6.124
242 HA CYS 34 HA CYS 34 -1.291 -1.672 4.866
243 1HB CYS 34 HB2 CYS 34 -1.084 -1.139 7.835
244 2HB CYS 34 HB1 CYS 34 -0.697 -2.629 6.986
245 H SER 35 HN SER 35 -3.157 -2.809 4.707
246 HA SER 35 HA SER 35 -5.581 -1.700 5.709
247 1HB SER 35 HB2 SER 35 -6.593 -3.866 4.837
248 2HB SER 35 HB1 SER 35 -5.749 -2.875 3.649
249 HG SER 35 HG SER 35 -4.016 -4.256 3.733
250 H LYS 36 HN LYS 36 -7.100 -2.842 7.142
251 HA LYS 36 HA LYS 36 -5.667 -3.874 9.440
252 1HB LYS 36 HB2 LYS 36 -7.336 -2.141 9.797
253 2HB LYS 36 HB1 LYS 36 -8.577 -3.150 9.069
254 1HG LYS 36 HG2 LYS 36 -8.374 -4.751 10.879
255 2HG LYS 36 HG1 LYS 36 -7.080 -3.794 11.601
256 1HD LYS 36 HD2 LYS 36 -9.122 -3.323 12.774
257 2HD LYS 36 HD1 LYS 36 -8.685 -1.903 11.823
258 1HE LYS 36 HE2 LYS 36 -10.293 -2.533 10.111
259 2HE LYS 36 HE1 LYS 36 -10.699 -3.996 11.007
260 1HZ LYS 36 HZ1 LYS 36 -11.119 -1.216 11.968
261 2HZ LYS 36 HZ2 LYS 36 -11.525 -2.625 12.811
262 3HZ LYS 36 HZ3 LYS 36 -12.325 -2.243 11.370
263 H ILE 37 HN ILE 37 -8.024 -5.028 7.095
264 HA ILE 37 HA ILE 37 -8.713 -7.400 8.447
265 HB ILE 37 HB ILE 37 -8.830 -6.858 5.483
266 1HG1 ILE 37 HG12 ILE 37 -10.947 -6.479 7.613
267 2HG1 ILE 37 HG11 ILE 37 -10.023 -5.177 6.871
268 1HG2 ILE 37 HG21 ILE 37 -9.414 -9.016 5.374
269 2HG2 ILE 37 HG22 ILE 37 -10.921 -8.522 6.147
270 3HG2 ILE 37 HG23 ILE 37 -9.590 -9.142 7.125
271 1HD1 ILE 37 HD11 ILE 37 -11.903 -7.036 5.431
272 2HD1 ILE 37 HD12 ILE 37 -11.001 -5.704 4.708
273 3HD1 ILE 37 HD13 ILE 37 -12.250 -5.374 5.908
274 H LEU 38 HN LEU 38 -6.958 -7.406 5.333
275 HA LEU 38 HA LEU 38 -5.679 -9.884 6.127
276 1HB LEU 38 HB2 LEU 38 -6.660 -9.488 3.838
277 2HB LEU 38 HB1 LEU 38 -5.329 -8.390 3.535
278 HG LEU 38 HG LEU 38 -3.729 -10.217 3.827
279 1HD1 LEU 38 HD11 LEU 38 -4.831 -12.574 3.776
280 2HD1 LEU 38 HD12 LEU 38 -6.202 -11.745 4.512
281 3HD1 LEU 38 HD13 LEU 38 -4.631 -11.733 5.312
282 1HD2 LEU 38 HD21 LEU 38 -4.051 -11.207 1.746
283 2HD2 LEU 38 HD22 LEU 38 -4.942 -9.690 1.618
284 3HD2 LEU 38 HD23 LEU 38 -5.808 -11.199 1.906
285 H ARG 39 HN ARG 39 -5.015 -6.664 6.376
286 HA ARG 39 HA ARG 39 -3.233 -5.440 7.011
287 1HB ARG 39 HB2 ARG 39 -3.020 -7.439 8.583
288 2HB ARG 39 HB1 ARG 39 -1.760 -8.022 7.505
289 1HG ARG 39 HG2 ARG 39 -0.778 -6.874 9.376
290 2HG ARG 39 HG1 ARG 39 -0.493 -5.956 7.897
291 1HD ARG 39 HD2 ARG 39 -2.442 -4.526 8.484
292 2HD ARG 39 HD1 ARG 39 -2.555 -5.386 10.020
293 HE ARG 39 HE ARG 39 0.067 -4.436 9.719
294 1HH1 ARG 39 HH11 ARG 39 -3.163 -3.180 10.174
295 2HH1 ARG 39 HH12 ARG 39 -2.641 -1.772 11.037
296 1HH2 ARG 39 HH21 ARG 39 0.778 -2.580 10.852
297 2HH2 ARG 39 HH22 ARG 39 -0.383 -1.430 11.426
298 H ARG 40 HN ARG 40 -3.538 -6.189 4.250
299 HA ARG 40 HA ARG 40 -0.796 -6.435 3.258
300 1HB ARG 40 HB2 ARG 40 -2.210 -6.138 1.004
301 2HB ARG 40 HB1 ARG 40 -2.016 -7.689 1.808
302 1HG ARG 40 HG2 ARG 40 -4.164 -7.482 2.848
303 2HG ARG 40 HG1 ARG 40 -4.357 -5.845 2.214
304 1HD ARG 40 HD2 ARG 40 -4.380 -6.686 -0.052
305 2HD ARG 40 HD1 ARG 40 -4.055 -8.320 0.520
306 HE ARG 40 HE ARG 40 -6.393 -7.495 1.752
307 1HH1 ARG 40 HH11 ARG 40 -5.253 -7.957 -1.519
308 2HH1 ARG 40 HH12 ARG 40 -6.802 -8.465 -2.123
309 1HH2 ARG 40 HH21 ARG 40 -8.450 -8.180 0.958
310 2HH2 ARG 40 HH22 ARG 40 -8.616 -8.598 -0.713
311 H CYS 41 HN CYS 41 0.075 -4.855 1.770
312 HA CYS 41 HA CYS 41 -0.390 -2.188 2.680
313 1HB CYS 41 HB2 CYS 41 1.858 -2.840 2.183
314 2HB CYS 41 HB1 CYS 41 1.417 -3.329 0.552
315 H LEU 42 HN LEU 42 -2.146 -1.123 2.054
316 HA LEU 42 HA LEU 42 -3.037 -1.312 -0.734
317 1HB LEU 42 HB2 LEU 42 -4.326 -0.547 1.836
318 2HB LEU 42 HB1 LEU 42 -4.885 0.287 0.401
319 HG LEU 42 HG LEU 42 -5.445 -1.897 -0.623
320 1HD1 LEU 42 HD11 LEU 42 -3.717 -3.031 1.062
321 2HD1 LEU 42 HD12 LEU 42 -5.055 -3.912 0.324
322 3HD1 LEU 42 HD13 LEU 42 -5.206 -3.295 1.969
323 1HD2 LEU 42 HD21 LEU 42 -6.997 -0.500 0.878
324 2HD2 LEU 42 HD22 LEU 42 -6.746 -1.774 2.071
325 3HD2 LEU 42 HD23 LEU 42 -7.460 -2.160 0.505
326 H CYS 43 HN CYS 43 -2.440 0.217 -2.115
327 HA CYS 43 HA CYS 43 -1.208 2.635 -1.066
328 1HB CYS 43 HB2 CYS 43 -1.317 1.508 -3.866
329 2HB CYS 43 HB1 CYS 43 -0.442 2.960 -3.394
330 H THR 44 HN THR 44 -1.872 4.674 -1.504
331 HA THR 44 HA THR 44 -4.477 4.973 -2.845
332 HB THR 44 HB THR 44 -4.214 7.102 -1.066
333 HG1 THR 44 HG1 THR 44 -2.623 5.874 0.078
334 1HG2 THR 44 HG21 THR 44 -6.240 5.737 -1.792
335 2HG2 THR 44 HG22 THR 44 -6.214 6.315 -0.126
336 3HG2 THR 44 HG23 THR 44 -5.819 4.633 -0.482
337 H LYS 45 HN LYS 45 -4.710 6.720 -4.164
338 HA LYS 45 HA LYS 45 -2.875 8.895 -4.175
339 1HB LYS 45 HB2 LYS 45 -1.854 8.606 -6.324
340 2HB LYS 45 HB1 LYS 45 -1.496 7.203 -5.335
341 1HG LYS 45 HG2 LYS 45 -3.123 5.888 -6.538
342 2HG LYS 45 HG1 LYS 45 -3.613 7.307 -7.474
343 1HD LYS 45 HD2 LYS 45 -1.422 7.473 -8.460
344 2HD LYS 45 HD1 LYS 45 -0.819 6.175 -7.433
345 1HE LYS 45 HE2 LYS 45 -2.465 4.652 -8.530
346 2HE LYS 45 HE1 LYS 45 -2.850 5.964 -9.647
347 1HZ LYS 45 HZ1 LYS 45 -0.882 4.120 -9.987
348 2HZ LYS 45 HZ2 LYS 45 -0.030 5.471 -9.424
349 3HZ LYS 45 HZ3 LYS 45 -0.999 5.595 -10.808
350 H GLU 46 HN GLU 46 -3.268 10.331 -6.109
351 HA GLU 46 HA GLU 46 -6.094 10.766 -6.291
352 1HB GLU 46 HB2 GLU 46 -5.319 12.750 -7.695
353 2HB GLU 46 HB1 GLU 46 -4.793 12.710 -6.017
354 1HG GLU 46 HG2 GLU 46 -2.651 11.649 -6.868
355 2HG GLU 46 HG1 GLU 46 -3.191 12.106 -8.482
356 H CYS 47 HN CYS 47 -7.301 10.920 -8.184
357 HA CYS 47 HA CYS 47 -6.381 10.227 -10.755
358 1HB CYS 47 HB2 CYS 47 -7.498 8.058 -11.012
359 2HB CYS 47 HB1 CYS 47 -6.236 7.969 -9.789
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 -8.779 12.759 -9.110
2 2H ALA 1 HT2 ALA 1 -8.547 13.879 -7.862
3 3H ALA 1 HT3 ALA 1 -10.008 13.859 -8.712
4 HA ALA 1 HA ALA 1 -10.397 12.830 -6.638
5 1HB ALA 1 HB1 ALA 1 -11.623 11.204 -7.547
6 2HB ALA 1 HB2 ALA 1 -10.187 10.317 -8.059
7 3HB ALA 1 HB3 ALA 1 -10.844 11.597 -9.080
8 H THR 2 HN THR 2 -9.856 10.079 -6.145
9 HA THR 2 HA THR 2 -6.985 9.909 -5.719
10 HB THR 2 HB THR 2 -8.930 9.714 -3.404
11 HG1 THR 2 HG1 THR 2 -7.120 11.756 -4.211
12 1HG2 THR 2 HG21 THR 2 -7.251 8.905 -2.146
13 2HG2 THR 2 HG22 THR 2 -6.068 10.002 -2.859
14 3HG2 THR 2 HG23 THR 2 -6.485 8.499 -3.682
15 H CYS 3 HN CYS 3 -6.438 7.974 -6.352
16 HA CYS 3 HA CYS 3 -8.401 5.822 -6.379
17 1HB CYS 3 HB2 CYS 3 -5.750 6.254 -7.754
18 2HB CYS 3 HB1 CYS 3 -6.555 4.684 -7.759
19 H LYS 4 HN LYS 4 -8.201 3.974 -5.227
20 HA LYS 4 HA LYS 4 -5.807 3.617 -3.564
21 1HB LYS 4 HB2 LYS 4 -7.516 4.685 -2.174
22 2HB LYS 4 HB1 LYS 4 -8.675 3.440 -2.617
23 1HG LYS 4 HG2 LYS 4 -7.202 1.760 -1.532
24 2HG LYS 4 HG1 LYS 4 -6.168 3.083 -0.987
25 1HD LYS 4 HD2 LYS 4 -7.698 2.429 0.781
26 2HD LYS 4 HD1 LYS 4 -8.079 4.057 0.216
27 1HE LYS 4 HE2 LYS 4 -9.871 3.124 -1.195
28 2HE LYS 4 HE1 LYS 4 -9.508 1.516 -0.570
29 1HZ LYS 4 HZ1 LYS 4 -11.270 3.325 0.493
30 2HZ LYS 4 HZ2 LYS 4 -9.939 3.387 1.535
31 3HZ LYS 4 HZ3 LYS 4 -10.710 1.911 1.236
32 H ALA 5 HN ALA 5 -5.060 1.618 -3.552
33 HA ALA 5 HA ALA 5 -6.651 -0.730 -3.742
34 1HB ALA 5 HB1 ALA 5 -6.553 0.192 -6.156
35 2HB ALA 5 HB2 ALA 5 -6.168 -1.509 -5.893
36 3HB ALA 5 HB3 ALA 5 -4.871 -0.337 -6.128
37 H GLU 6 HN GLU 6 -5.421 -2.571 -3.221
38 HA GLU 6 HA GLU 6 -3.055 -2.084 -1.779
39 1HB GLU 6 HB2 GLU 6 -3.987 -4.766 -2.816
40 2HB GLU 6 HB1 GLU 6 -2.899 -4.472 -1.473
41 1HG GLU 6 HG2 GLU 6 -4.776 -4.850 -0.294
42 2HG GLU 6 HG1 GLU 6 -4.992 -3.123 -0.566
43 H CYS 7 HN CYS 7 -0.949 -2.501 -2.198
44 HA CYS 7 HA CYS 7 0.021 -2.053 -4.774
45 1HB CYS 7 HB2 CYS 7 1.354 -1.664 -2.731
46 2HB CYS 7 HB1 CYS 7 1.463 -3.403 -2.478
47 HA PRO 8 HA PRO 8 -0.712 -5.963 -6.758
48 1HB PRO 8 HB2 PRO 8 1.486 -5.029 -8.527
49 2HB PRO 8 HB1 PRO 8 -0.147 -5.558 -8.944
50 1HG PRO 8 HG2 PRO 8 0.504 -2.978 -9.022
51 2HG PRO 8 HG1 PRO 8 -1.087 -3.499 -8.437
52 1HD PRO 8 HD2 PRO 8 1.303 -2.593 -6.883
53 2HD PRO 8 HD1 PRO 8 -0.419 -2.263 -6.600
54 H THR 9 HN THR 9 2.629 -4.845 -6.284
55 HA THR 9 HA THR 9 3.594 -7.584 -6.228
56 HB THR 9 HB THR 9 5.831 -6.544 -5.901
57 HG1 THR 9 HG1 THR 9 4.421 -4.450 -5.160
58 1HG2 THR 9 HG21 THR 9 4.086 -6.220 -8.205
59 2HG2 THR 9 HG22 THR 9 5.768 -6.746 -8.129
60 3HG2 THR 9 HG23 THR 9 5.382 -5.025 -8.169
61 H TRP 10 HN TRP 10 1.799 -7.186 -4.189
62 HA TRP 10 HA TRP 10 3.566 -7.301 -1.845
63 1HB TRP 10 HB2 TRP 10 2.321 -5.108 -1.967
64 2HB TRP 10 HB1 TRP 10 0.825 -6.025 -1.812
65 HD1 TRP 10 HD1 TRP 10 0.163 -6.884 0.580
66 HE1 TRP 10 HE1 TRP 10 1.142 -6.500 2.936
67 HE3 TRP 10 HE3 TRP 10 4.585 -4.695 -0.737
68 HZ2 TRP 10 HZ2 TRP 10 3.489 -5.377 4.075
69 HZ3 TRP 10 HZ3 TRP 10 6.128 -3.982 1.039
70 HH2 TRP 10 HH2 TRP 10 5.589 -4.320 3.392
71 H ASP 11 HN ASP 11 3.310 -9.078 -0.703
72 HA ASP 11 HA ASP 11 0.747 -10.407 -0.496
73 1HB ASP 11 HB2 ASP 11 1.885 -11.380 -2.542
74 2HB ASP 11 HB1 ASP 11 3.152 -11.967 -1.470
75 H SER 12 HN SER 12 1.376 -9.330 1.588
76 HA SER 12 HA SER 12 2.247 -11.281 3.446
77 1HB SER 12 HB2 SER 12 4.448 -10.459 2.459
78 2HB SER 12 HB1 SER 12 4.092 -8.895 3.192
79 HG SER 12 HG SER 12 5.028 -11.181 4.337
80 H VAL 13 HN VAL 13 2.466 -10.219 5.689
81 HA VAL 13 HA VAL 13 0.141 -8.566 6.072
82 HB VAL 13 HB VAL 13 2.157 -9.570 8.094
83 1HG1 VAL 13 HG11 VAL 13 -0.046 -9.232 9.539
84 2HG1 VAL 13 HG12 VAL 13 -0.339 -7.986 8.327
85 3HG1 VAL 13 HG13 VAL 13 1.130 -7.940 9.302
86 1HG2 VAL 13 HG21 VAL 13 -0.487 -10.780 8.115
87 2HG2 VAL 13 HG22 VAL 13 1.105 -11.538 8.136
88 3HG2 VAL 13 HG23 VAL 13 0.377 -11.057 6.603
89 H CYS 14 HN CYS 14 0.174 -6.428 5.968
90 HA CYS 14 HA CYS 14 2.642 -4.954 5.966
91 1HB CYS 14 HB2 CYS 14 0.599 -4.417 4.567
92 2HB CYS 14 HB1 CYS 14 -0.179 -3.865 6.043
93 H ILE 15 HN ILE 15 3.651 -4.759 7.884
94 HA ILE 15 HA ILE 15 2.054 -4.261 10.286
95 HB ILE 15 HB ILE 15 5.005 -4.883 10.055
96 1HG1 ILE 15 HG12 ILE 15 2.703 -6.675 10.867
97 2HG1 ILE 15 HG11 ILE 15 3.532 -6.740 9.316
98 1HG2 ILE 15 HG21 ILE 15 5.190 -4.678 12.287
99 2HG2 ILE 15 HG22 ILE 15 3.596 -5.372 12.584
100 3HG2 ILE 15 HG23 ILE 15 3.749 -3.672 12.138
101 1HD1 ILE 15 HD11 ILE 15 5.590 -6.967 11.112
102 2HD1 ILE 15 HD12 ILE 15 4.806 -8.297 10.260
103 3HD1 ILE 15 HD13 ILE 15 4.284 -7.862 11.888
104 H ASN 16 HN ASN 16 4.837 -2.953 8.535
105 HA ASN 16 HA ASN 16 4.419 -0.393 9.920
106 1HB ASN 16 HB2 ASN 16 6.602 -1.383 10.432
107 2HB ASN 16 HB1 ASN 16 6.966 -1.507 8.714
108 1HD2 ASN 16 HD21 ASN 16 8.745 -0.215 8.737
109 2HD2 ASN 16 HD22 ASN 16 8.696 1.479 9.075
110 H LYS 17 HN LYS 17 4.476 1.510 8.693
111 HA LYS 17 HA LYS 17 3.300 1.306 6.144
112 1HB LYS 17 HB2 LYS 17 3.914 3.407 8.010
113 2HB LYS 17 HB1 LYS 17 4.316 3.912 6.373
114 1HG LYS 17 HG2 LYS 17 1.978 3.075 5.744
115 2HG LYS 17 HG1 LYS 17 1.659 3.078 7.480
116 1HD LYS 17 HD2 LYS 17 0.911 5.165 6.487
117 2HD LYS 17 HD1 LYS 17 2.274 5.465 7.567
118 1HE LYS 17 HE2 LYS 17 3.783 5.628 5.698
119 2HE LYS 17 HE1 LYS 17 2.513 5.145 4.577
120 1HZ LYS 17 HZ1 LYS 17 3.158 7.723 5.485
121 2HZ LYS 17 HZ2 LYS 17 1.583 7.363 5.971
122 3HZ LYS 17 HZ3 LYS 17 2.003 7.271 4.332
123 H LYS 18 HN LYS 18 6.651 1.899 7.104
124 HA LYS 18 HA LYS 18 7.723 2.938 4.818
125 1HB LYS 18 HB2 LYS 18 8.857 2.261 7.056
126 2HB LYS 18 HB1 LYS 18 9.202 0.747 6.237
127 1HG LYS 18 HG2 LYS 18 10.006 3.428 5.136
128 2HG LYS 18 HG1 LYS 18 11.034 2.472 6.201
129 1HD LYS 18 HD2 LYS 18 11.039 0.650 4.583
130 2HD LYS 18 HD1 LYS 18 9.959 1.565 3.529
131 1HE LYS 18 HE2 LYS 18 11.675 3.309 3.311
132 2HE LYS 18 HE1 LYS 18 12.753 2.366 4.338
133 1HZ LYS 18 HZ1 LYS 18 13.213 0.923 2.685
134 2HZ LYS 18 HZ2 LYS 18 12.784 2.227 1.697
135 3HZ LYS 18 HZ3 LYS 18 11.663 1.001 2.011
136 HA PRO 19 HA PRO 19 8.410 -1.524 2.839
137 1HB PRO 19 HB2 PRO 19 6.117 -2.885 4.177
138 2HB PRO 19 HB1 PRO 19 7.679 -3.549 3.693
139 1HG PRO 19 HG2 PRO 19 7.194 -3.050 6.243
140 2HG PRO 19 HG1 PRO 19 8.775 -2.641 5.546
141 1HD PRO 19 HD2 PRO 19 6.463 -0.847 6.182
142 2HD PRO 19 HD1 PRO 19 8.201 -0.571 6.419
143 H CYS 20 HN CYS 20 5.140 -0.667 3.888
144 HA CYS 20 HA CYS 20 3.806 -1.346 1.509
145 1HB CYS 20 HB2 CYS 20 2.742 -0.970 3.749
146 2HB CYS 20 HB1 CYS 20 3.001 0.757 3.533
147 H VAL 21 HN VAL 21 4.999 1.795 2.705
148 HA VAL 21 HA VAL 21 4.203 3.388 0.563
149 HB VAL 21 HB VAL 21 6.667 3.685 2.297
150 1HG1 VAL 21 HG11 VAL 21 5.726 6.193 1.455
151 2HG1 VAL 21 HG12 VAL 21 5.804 5.184 0.011
152 3HG1 VAL 21 HG13 VAL 21 7.239 5.403 1.012
153 1HG2 VAL 21 HG21 VAL 21 5.224 5.363 3.476
154 2HG2 VAL 21 HG22 VAL 21 4.720 3.684 3.664
155 3HG2 VAL 21 HG23 VAL 21 3.860 4.743 2.546
156 H ALA 22 HN ALA 22 7.165 1.492 0.995
157 HA ALA 22 HA ALA 22 8.486 2.338 -1.341
158 1HB ALA 22 HB1 ALA 22 10.088 0.969 -0.613
159 2HB ALA 22 HB2 ALA 22 9.024 -0.434 -0.704
160 3HB ALA 22 HB3 ALA 22 9.027 0.577 0.740
161 H CYS 23 HN CYS 23 6.244 -0.329 -0.735
162 HA CYS 23 HA CYS 23 6.337 -1.437 -3.340
163 1HB CYS 23 HB2 CYS 23 5.372 -2.412 -1.120
164 2HB CYS 23 HB1 CYS 23 3.902 -1.561 -1.578
165 H CYS 24 HN CYS 24 4.141 0.826 -1.757
166 HA CYS 24 HA CYS 24 2.374 1.223 -3.873
167 1HB CYS 24 HB2 CYS 24 3.177 3.035 -1.598
168 2HB CYS 24 HB1 CYS 24 1.819 3.351 -2.676
169 H LYS 25 HN LYS 25 5.285 3.093 -3.001
170 HA LYS 25 HA LYS 25 4.955 4.947 -5.097
171 1HB LYS 25 HB2 LYS 25 7.365 4.208 -3.455
172 2HB LYS 25 HB1 LYS 25 7.388 5.484 -4.671
173 1HG LYS 25 HG2 LYS 25 5.439 6.518 -3.466
174 2HG LYS 25 HG1 LYS 25 5.716 5.349 -2.177
175 1HD LYS 25 HD2 LYS 25 7.923 6.237 -1.788
176 2HD LYS 25 HD1 LYS 25 7.764 7.326 -3.171
177 1HE LYS 25 HE2 LYS 25 5.882 8.442 -2.065
178 2HE LYS 25 HE1 LYS 25 6.056 7.363 -0.683
179 1HZ LYS 25 HZ1 LYS 25 7.148 9.730 -0.727
180 2HZ LYS 25 HZ2 LYS 25 8.395 8.905 -1.517
181 3HZ LYS 25 HZ3 LYS 25 7.912 8.425 0.031
182 H LYS 26 HN LYS 26 6.526 1.792 -4.999
183 HA LYS 26 HA LYS 26 7.871 2.095 -7.493
184 1HB LYS 26 HB2 LYS 26 8.486 -0.116 -7.315
185 2HB LYS 26 HB1 LYS 26 8.084 0.194 -5.632
186 1HG LYS 26 HG2 LYS 26 5.921 -0.826 -5.913
187 2HG LYS 26 HG1 LYS 26 6.201 -1.025 -7.641
188 1HD LYS 26 HD2 LYS 26 6.612 -3.136 -6.715
189 2HD LYS 26 HD1 LYS 26 8.213 -2.444 -6.977
190 1HE LYS 26 HE2 LYS 26 8.597 -2.139 -4.733
191 2HE LYS 26 HE1 LYS 26 6.879 -2.048 -4.342
192 1HZ LYS 26 HZ1 LYS 26 7.674 -4.108 -3.534
193 2HZ LYS 26 HZ2 LYS 26 8.451 -4.476 -4.989
194 3HZ LYS 26 HZ3 LYS 26 6.759 -4.460 -4.915
195 H ALA 27 HN ALA 27 4.646 1.191 -6.505
196 HA ALA 27 HA ALA 27 3.824 0.456 -9.190
197 1HB ALA 27 HB1 ALA 27 2.973 -0.256 -6.658
198 2HB ALA 27 HB2 ALA 27 2.168 -0.642 -8.179
199 3HB ALA 27 HB3 ALA 27 1.681 0.783 -7.261
200 H LYS 28 HN LYS 28 4.629 3.255 -8.136
201 HA LYS 28 HA LYS 28 4.197 5.395 -8.687
202 1HB LYS 28 HB2 LYS 28 3.717 4.310 -10.921
203 2HB LYS 28 HB1 LYS 28 2.013 4.381 -10.500
204 1HG LYS 28 HG2 LYS 28 2.071 6.780 -10.432
205 2HG LYS 28 HG1 LYS 28 3.821 6.784 -10.657
206 1HD LYS 28 HD2 LYS 28 1.802 5.739 -12.643
207 2HD LYS 28 HD1 LYS 28 2.616 7.301 -12.740
208 1HE LYS 28 HE2 LYS 28 4.780 6.161 -12.879
209 2HE LYS 28 HE1 LYS 28 3.965 4.601 -12.780
210 1HZ LYS 28 HZ1 LYS 28 3.035 6.374 -14.881
211 2HZ LYS 28 HZ2 LYS 28 3.319 4.707 -14.917
212 3HZ LYS 28 HZ3 LYS 28 4.611 5.788 -15.071
213 H PHE 29 HN PHE 29 3.277 4.951 -6.338
214 HA PHE 29 HA PHE 29 0.653 6.279 -6.266
215 1HB PHE 29 HB2 PHE 29 1.570 3.987 -4.528
216 2HB PHE 29 HB1 PHE 29 0.273 5.069 -4.041
217 HD1 PHE 29 HD1 PHE 29 1.284 2.573 -6.576
218 HD2 PHE 29 HD2 PHE 29 -1.903 4.824 -4.883
219 HE1 PHE 29 HE1 PHE 29 -0.341 1.187 -7.798
220 HE2 PHE 29 HE2 PHE 29 -3.533 3.444 -6.101
221 HZ PHE 29 HZ PHE 29 -2.753 1.621 -7.560
222 H SER 30 HN SER 30 0.423 7.840 -4.651
223 HA SER 30 HA SER 30 2.773 9.222 -3.963
224 1HB SER 30 HB2 SER 30 0.387 9.901 -2.404
225 2HB SER 30 HB1 SER 30 1.338 10.901 -3.506
226 HG SER 30 HG SER 30 -0.203 10.607 -4.913
227 H ASP 31 HN ASP 31 0.537 7.290 -1.991
228 HA ASP 31 HA ASP 31 2.665 6.762 -0.089
229 1HB ASP 31 HB2 ASP 31 1.587 8.945 0.629
230 2HB ASP 31 HB1 ASP 31 0.110 8.033 0.913
231 H GLY 32 HN GLY 32 2.109 5.124 1.452
232 1HA GLY 32 HA2 GLY 32 -0.211 3.482 0.629
233 2HA GLY 32 HA1 GLY 32 1.361 2.779 0.996
234 H HIS 33 HN HIS 33 -0.976 1.983 2.287
235 HA HIS 33 HA HIS 33 -0.219 2.515 5.024
236 1HB HIS 33 HB2 HIS 33 -2.546 3.162 5.703
237 2HB HIS 33 HB1 HIS 33 -1.708 4.376 4.747
238 HD1 HIS 33 HD1 HIS 33 -2.422 4.376 2.097
239 HD2 HIS 33 HD2 HIS 33 -4.997 2.468 4.743
240 HE1 HIS 33 HE1 HIS 33 -4.596 4.139 0.868
241 H CYS 34 HN CYS 34 -0.570 0.810 6.277
242 HA CYS 34 HA CYS 34 -1.506 -1.627 5.149
243 1HB CYS 34 HB2 CYS 34 -1.088 -1.062 8.086
244 2HB CYS 34 HB1 CYS 34 -0.973 -2.611 7.260
245 H SER 35 HN SER 35 -3.490 -2.601 5.331
246 HA SER 35 HA SER 35 -5.665 -0.975 6.304
247 1HB SER 35 HB2 SER 35 -7.052 -2.962 5.500
248 2HB SER 35 HB1 SER 35 -6.125 -2.094 4.276
249 HG SER 35 HG SER 35 -4.693 -3.730 4.169
250 H LYS 36 HN LYS 36 -7.363 -3.186 7.073
251 HA LYS 36 HA LYS 36 -6.181 -3.841 9.686
252 1HB LYS 36 HB2 LYS 36 -7.839 -2.107 9.981
253 2HB LYS 36 HB1 LYS 36 -9.022 -3.029 9.064
254 1HG LYS 36 HG2 LYS 36 -9.033 -4.747 10.797
255 2HG LYS 36 HG1 LYS 36 -7.844 -3.825 11.719
256 1HD LYS 36 HD2 LYS 36 -9.432 -1.969 11.905
257 2HD LYS 36 HD1 LYS 36 -10.619 -2.894 10.982
258 1HE LYS 36 HE2 LYS 36 -10.622 -4.616 12.724
259 2HE LYS 36 HE1 LYS 36 -9.444 -3.684 13.646
260 1HZ LYS 36 HZ1 LYS 36 -11.399 -1.883 13.232
261 2HZ LYS 36 HZ2 LYS 36 -11.245 -2.828 14.626
262 3HZ LYS 36 HZ3 LYS 36 -12.293 -3.311 13.390
263 H ILE 37 HN ILE 37 -8.472 -4.867 7.190
264 HA ILE 37 HA ILE 37 -9.296 -7.274 8.341
265 HB ILE 37 HB ILE 37 -8.980 -6.796 5.380
266 1HG1 ILE 37 HG12 ILE 37 -11.328 -6.060 7.142
267 2HG1 ILE 37 HG11 ILE 37 -10.157 -4.908 6.508
268 1HG2 ILE 37 HG21 ILE 37 -11.344 -8.212 6.253
269 2HG2 ILE 37 HG22 ILE 37 -9.873 -9.011 6.808
270 3HG2 ILE 37 HG23 ILE 37 -10.110 -8.696 5.089
271 1HD1 ILE 37 HD11 ILE 37 -11.331 -4.721 4.647
272 2HD1 ILE 37 HD12 ILE 37 -12.527 -5.839 5.304
273 3HD1 ILE 37 HD13 ILE 37 -11.178 -6.452 4.347
274 H LEU 38 HN LEU 38 -7.496 -7.552 5.338
275 HA LEU 38 HA LEU 38 -6.052 -9.826 6.429
276 1HB LEU 38 HB2 LEU 38 -7.136 -9.808 4.147
277 2HB LEU 38 HB1 LEU 38 -5.894 -8.683 3.644
278 HG LEU 38 HG LEU 38 -4.175 -10.369 4.199
279 1HD1 LEU 38 HD11 LEU 38 -6.362 -12.406 4.373
280 2HD1 LEU 38 HD12 LEU 38 -5.781 -11.572 5.814
281 3HD1 LEU 38 HD13 LEU 38 -4.670 -12.544 4.849
282 1HD2 LEU 38 HD21 LEU 38 -6.173 -11.545 2.290
283 2HD2 LEU 38 HD22 LEU 38 -4.412 -11.600 2.212
284 3HD2 LEU 38 HD23 LEU 38 -5.262 -10.083 1.914
285 H ARG 39 HN ARG 39 -5.628 -6.724 6.651
286 HA ARG 39 HA ARG 39 -3.945 -5.276 7.044
287 1HB ARG 39 HB2 ARG 39 -3.258 -7.495 8.374
288 2HB ARG 39 HB1 ARG 39 -1.906 -7.430 7.250
289 1HG ARG 39 HG2 ARG 39 -1.229 -6.299 9.212
290 2HG ARG 39 HG1 ARG 39 -1.533 -5.062 7.989
291 1HD ARG 39 HD2 ARG 39 -3.932 -5.049 9.039
292 2HD ARG 39 HD1 ARG 39 -3.110 -5.754 10.429
293 HE ARG 39 HE ARG 39 -3.088 -3.040 9.641
294 1HH1 ARG 39 HH11 ARG 39 -1.008 -5.497 11.033
295 2HH1 ARG 39 HH12 ARG 39 0.046 -4.355 11.797
296 1HH2 ARG 39 HH21 ARG 39 -1.701 -1.535 10.658
297 2HH2 ARG 39 HH22 ARG 39 -0.345 -2.096 11.579
298 H ARG 40 HN ARG 40 -4.531 -6.014 4.356
299 HA ARG 40 HA ARG 40 -2.176 -6.369 2.806
300 1HB ARG 40 HB2 ARG 40 -4.869 -5.202 2.093
301 2HB ARG 40 HB1 ARG 40 -3.595 -5.506 0.926
302 1HG ARG 40 HG2 ARG 40 -3.709 -7.899 1.439
303 2HG ARG 40 HG1 ARG 40 -5.013 -7.577 2.589
304 1HD ARG 40 HD2 ARG 40 -6.386 -6.663 0.802
305 2HD ARG 40 HD1 ARG 40 -5.081 -6.913 -0.353
306 HE ARG 40 HE ARG 40 -5.703 -9.367 0.841
307 1HH1 ARG 40 HH11 ARG 40 -7.116 -6.994 -1.325
308 2HH1 ARG 40 HH12 ARG 40 -8.065 -8.173 -2.186
309 1HH2 ARG 40 HH21 ARG 40 -6.953 -10.921 -0.302
310 2HH2 ARG 40 HH22 ARG 40 -7.975 -10.404 -1.601
311 H CYS 41 HN CYS 41 -1.080 -4.823 1.515
312 HA CYS 41 HA CYS 41 -0.788 -2.239 2.779
313 1HB CYS 41 HB2 CYS 41 1.257 -3.256 2.130
314 2HB CYS 41 HB1 CYS 41 0.642 -3.658 0.533
315 H LEU 42 HN LEU 42 -2.607 -1.043 2.334
316 HA LEU 42 HA LEU 42 -3.653 -0.864 -0.349
317 1HB LEU 42 HB2 LEU 42 -4.397 0.218 2.320
318 2HB LEU 42 HB1 LEU 42 -4.943 1.117 0.920
319 HG LEU 42 HG LEU 42 -6.055 -0.962 0.091
320 1HD1 LEU 42 HD11 LEU 42 -5.884 -2.174 2.781
321 2HD1 LEU 42 HD12 LEU 42 -4.473 -2.335 1.736
322 3HD1 LEU 42 HD13 LEU 42 -6.042 -2.934 1.198
323 1HD2 LEU 42 HD21 LEU 42 -7.711 0.225 1.016
324 2HD2 LEU 42 HD22 LEU 42 -6.774 0.586 2.466
325 3HD2 LEU 42 HD23 LEU 42 -7.617 -0.956 2.322
326 H CYS 43 HN CYS 43 -3.003 0.512 -1.851
327 HA CYS 43 HA CYS 43 -1.242 2.708 -1.038
328 1HB CYS 43 HB2 CYS 43 -1.648 1.464 -3.761
329 2HB CYS 43 HB1 CYS 43 -0.479 2.715 -3.361
330 H THR 44 HN THR 44 -1.609 4.797 -1.655
331 HA THR 44 HA THR 44 -4.162 5.356 -3.004
332 HB THR 44 HB THR 44 -3.955 7.489 -1.361
333 HG1 THR 44 HG1 THR 44 -2.149 6.473 -0.264
334 1HG2 THR 44 HG21 THR 44 -5.250 4.989 -0.330
335 2HG2 THR 44 HG22 THR 44 -5.854 5.788 -1.781
336 3HG2 THR 44 HG23 THR 44 -5.823 6.655 -0.245
337 H LYS 45 HN LYS 45 -4.183 7.073 -4.376
338 HA LYS 45 HA LYS 45 -2.077 9.005 -4.467
339 1HB LYS 45 HB2 LYS 45 -1.166 8.512 -6.629
340 2HB LYS 45 HB1 LYS 45 -1.004 7.075 -5.634
341 1HG LYS 45 HG2 LYS 45 -2.346 5.852 -6.958
342 2HG LYS 45 HG1 LYS 45 -3.445 7.199 -7.267
343 1HD LYS 45 HD2 LYS 45 -2.134 8.039 -8.993
344 2HD LYS 45 HD1 LYS 45 -0.689 7.195 -8.436
345 1HE LYS 45 HE2 LYS 45 -3.114 5.774 -9.512
346 2HE LYS 45 HE1 LYS 45 -1.769 6.288 -10.530
347 1HZ LYS 45 HZ1 LYS 45 -1.299 4.086 -9.972
348 2HZ LYS 45 HZ2 LYS 45 -1.758 4.284 -8.358
349 3HZ LYS 45 HZ3 LYS 45 -0.323 4.988 -8.920
350 H GLU 46 HN GLU 46 -2.422 10.576 -6.223
351 HA GLU 46 HA GLU 46 -5.233 11.119 -6.462
352 1HB GLU 46 HB2 GLU 46 -4.479 13.182 -7.630
353 2HB GLU 46 HB1 GLU 46 -3.751 12.976 -6.047
354 1HG GLU 46 HG2 GLU 46 -2.283 12.038 -8.468
355 2HG GLU 46 HG1 GLU 46 -2.327 13.756 -8.088
356 H CYS 47 HN CYS 47 -6.445 11.233 -8.348
357 HA CYS 47 HA CYS 47 -5.315 10.507 -10.887
358 1HB CYS 47 HB2 CYS 47 -6.773 8.514 -11.195
359 2HB CYS 47 HB1 CYS 47 -5.530 8.278 -9.972
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 -12.461 9.421 -6.546
2 2H ALA 1 HT2 ALA 1 -12.563 9.101 -8.205
3 3H ALA 1 HT3 ALA 1 -13.097 10.584 -7.597
4 HA ALA 1 HA ALA 1 -10.711 10.179 -8.694
5 1HB ALA 1 HB1 ALA 1 -10.834 12.385 -8.471
6 2HB ALA 1 HB2 ALA 1 -10.340 12.217 -6.786
7 3HB ALA 1 HB3 ALA 1 -12.053 12.221 -7.206
8 H THR 2 HN THR 2 -10.842 7.969 -6.979
9 HA THR 2 HA THR 2 -8.307 8.238 -5.611
10 HB THR 2 HB THR 2 -10.680 7.175 -4.067
11 HG1 THR 2 HG1 THR 2 -9.562 9.774 -4.205
12 1HG2 THR 2 HG21 THR 2 -7.776 7.532 -3.544
13 2HG2 THR 2 HG22 THR 2 -8.873 6.260 -3.007
14 3HG2 THR 2 HG23 THR 2 -8.888 7.833 -2.208
15 H CYS 3 HN CYS 3 -7.202 6.591 -6.427
16 HA CYS 3 HA CYS 3 -8.618 4.064 -6.948
17 1HB CYS 3 HB2 CYS 3 -6.189 5.303 -8.242
18 2HB CYS 3 HB1 CYS 3 -6.637 3.615 -8.486
19 H LYS 4 HN LYS 4 -7.823 2.149 -6.152
20 HA LYS 4 HA LYS 4 -5.295 2.129 -4.745
21 1HB LYS 4 HB2 LYS 4 -6.247 1.297 -2.646
22 2HB LYS 4 HB1 LYS 4 -6.787 2.928 -3.007
23 1HG LYS 4 HG2 LYS 4 -8.927 2.057 -3.780
24 2HG LYS 4 HG1 LYS 4 -8.384 0.414 -3.433
25 1HD LYS 4 HD2 LYS 4 -8.130 0.992 -1.072
26 2HD LYS 4 HD1 LYS 4 -8.659 2.641 -1.415
27 1HE LYS 4 HE2 LYS 4 -10.291 0.128 -1.787
28 2HE LYS 4 HE1 LYS 4 -10.493 1.320 -0.503
29 1HZ LYS 4 HZ1 LYS 4 -11.910 2.346 -1.845
30 2HZ LYS 4 HZ2 LYS 4 -11.518 1.347 -3.152
31 3HZ LYS 4 HZ3 LYS 4 -10.612 2.744 -2.855
32 H ALA 5 HN ALA 5 -4.399 0.188 -4.540
33 HA ALA 5 HA ALA 5 -5.752 -2.298 -4.883
34 1HB ALA 5 HB1 ALA 5 -5.215 -2.899 -7.028
35 2HB ALA 5 HB2 ALA 5 -3.802 -1.845 -7.085
36 3HB ALA 5 HB3 ALA 5 -5.418 -1.163 -7.269
37 H GLU 6 HN GLU 6 -4.347 -4.049 -4.377
38 HA GLU 6 HA GLU 6 -2.232 -3.406 -2.658
39 1HB GLU 6 HB2 GLU 6 -2.617 -6.059 -4.052
40 2HB GLU 6 HB1 GLU 6 -1.742 -5.765 -2.560
41 1HG GLU 6 HG2 GLU 6 -3.651 -6.525 -1.656
42 2HG GLU 6 HG1 GLU 6 -4.120 -4.835 -1.819
43 H CYS 7 HN CYS 7 -0.072 -3.338 -2.878
44 HA CYS 7 HA CYS 7 1.060 -2.559 -5.304
45 1HB CYS 7 HB2 CYS 7 2.031 -2.177 -2.993
46 2HB CYS 7 HB1 CYS 7 2.584 -3.848 -3.024
47 HA PRO 8 HA PRO 8 1.108 -6.387 -7.579
48 1HB PRO 8 HB2 PRO 8 3.386 -5.017 -8.933
49 2HB PRO 8 HB1 PRO 8 1.964 -5.797 -9.635
50 1HG PRO 8 HG2 PRO 8 2.126 -3.146 -9.513
51 2HG PRO 8 HG1 PRO 8 0.589 -3.977 -9.208
52 1HD PRO 8 HD2 PRO 8 2.481 -2.714 -7.277
53 2HD PRO 8 HD1 PRO 8 0.708 -2.798 -7.232
54 H THR 9 HN THR 9 4.133 -4.909 -6.501
55 HA THR 9 HA THR 9 5.441 -7.511 -6.423
56 HB THR 9 HB THR 9 7.439 -6.141 -5.701
57 HG1 THR 9 HG1 THR 9 5.925 -4.344 -5.028
58 1HG2 THR 9 HG21 THR 9 7.757 -6.493 -7.902
59 2HG2 THR 9 HG22 THR 9 7.262 -4.810 -8.085
60 3HG2 THR 9 HG23 THR 9 6.083 -6.105 -8.301
61 H TRP 10 HN TRP 10 3.362 -7.446 -4.639
62 HA TRP 10 HA TRP 10 4.802 -7.555 -2.103
63 1HB TRP 10 HB2 TRP 10 3.693 -5.300 -2.277
64 2HB TRP 10 HB1 TRP 10 2.143 -6.135 -2.343
65 HD1 TRP 10 HD1 TRP 10 1.332 -7.388 -0.078
66 HE1 TRP 10 HE1 TRP 10 1.957 -6.985 2.393
67 HE3 TRP 10 HE3 TRP 10 5.531 -4.563 -0.767
68 HZ2 TRP 10 HZ2 TRP 10 3.974 -5.611 3.848
69 HZ3 TRP 10 HZ3 TRP 10 6.736 -3.732 1.206
70 HH2 TRP 10 HH2 TRP 10 5.972 -4.249 3.463
71 H ASP 11 HN ASP 11 4.379 -9.378 -1.119
72 HA ASP 11 HA ASP 11 1.731 -10.535 -1.120
73 1HB ASP 11 HB2 ASP 11 2.863 -11.510 -3.152
74 2HB ASP 11 HB1 ASP 11 4.070 -12.207 -2.075
75 H SER 12 HN SER 12 2.488 -9.480 0.985
76 HA SER 12 HA SER 12 3.260 -11.603 2.789
77 1HB SER 12 HB2 SER 12 4.859 -9.031 2.633
78 2HB SER 12 HB1 SER 12 5.059 -10.291 3.850
79 HG SER 12 HG SER 12 5.181 -11.423 1.439
80 H VAL 13 HN VAL 13 3.188 -10.730 5.113
81 HA VAL 13 HA VAL 13 0.666 -9.409 5.445
82 HB VAL 13 HB VAL 13 2.684 -10.285 7.523
83 1HG1 VAL 13 HG11 VAL 13 1.239 -8.663 8.504
84 2HG1 VAL 13 HG12 VAL 13 0.701 -10.252 9.048
85 3HG1 VAL 13 HG13 VAL 13 -0.185 -9.408 7.778
86 1HG2 VAL 13 HG21 VAL 13 1.749 -12.081 6.031
87 2HG2 VAL 13 HG22 VAL 13 0.160 -11.698 6.691
88 3HG2 VAL 13 HG23 VAL 13 1.436 -12.292 7.754
89 H CYS 14 HN CYS 14 0.394 -7.303 5.488
90 HA CYS 14 HA CYS 14 2.592 -5.474 5.709
91 1HB CYS 14 HB2 CYS 14 0.539 -5.149 4.269
92 2HB CYS 14 HB1 CYS 14 -0.369 -4.852 5.744
93 H ILE 15 HN ILE 15 3.500 -5.482 7.715
94 HA ILE 15 HA ILE 15 1.753 -5.221 10.052
95 HB ILE 15 HB ILE 15 4.746 -5.660 9.939
96 1HG1 ILE 15 HG12 ILE 15 2.527 -7.630 10.545
97 2HG1 ILE 15 HG11 ILE 15 3.417 -7.553 9.028
98 1HG2 ILE 15 HG21 ILE 15 3.506 -6.484 12.385
99 2HG2 ILE 15 HG22 ILE 15 3.100 -4.800 12.054
100 3HG2 ILE 15 HG23 ILE 15 4.790 -5.301 12.131
101 1HD1 ILE 15 HD11 ILE 15 4.983 -8.870 9.856
102 2HD1 ILE 15 HD12 ILE 15 4.051 -9.006 11.347
103 3HD1 ILE 15 HD13 ILE 15 5.272 -7.745 11.183
104 H ASN 16 HN ASN 16 4.666 -3.725 8.676
105 HA ASN 16 HA ASN 16 4.069 -1.283 10.179
106 1HB ASN 16 HB2 ASN 16 6.379 -2.335 10.303
107 2HB ASN 16 HB1 ASN 16 6.584 -1.893 8.612
108 1HD2 ASN 16 HD21 ASN 16 7.028 -0.927 11.760
109 2HD2 ASN 16 HD22 ASN 16 7.300 0.759 11.492
110 H LYS 17 HN LYS 17 3.656 0.630 9.138
111 HA LYS 17 HA LYS 17 2.497 0.472 6.572
112 1HB LYS 17 HB2 LYS 17 1.914 2.064 8.480
113 2HB LYS 17 HB1 LYS 17 3.283 3.030 7.951
114 1HG LYS 17 HG2 LYS 17 2.240 3.238 5.726
115 2HG LYS 17 HG1 LYS 17 0.843 2.342 6.325
116 1HD LYS 17 HD2 LYS 17 0.617 4.108 8.109
117 2HD LYS 17 HD1 LYS 17 1.839 5.036 7.238
118 1HE LYS 17 HE2 LYS 17 -0.840 4.146 6.172
119 2HE LYS 17 HE1 LYS 17 -0.390 5.787 6.633
120 1HZ LYS 17 HZ1 LYS 17 1.431 5.510 4.872
121 2HZ LYS 17 HZ2 LYS 17 -0.153 5.768 4.336
122 3HZ LYS 17 HZ3 LYS 17 0.509 4.209 4.306
123 H LYS 18 HN LYS 18 5.652 1.616 7.670
124 HA LYS 18 HA LYS 18 6.484 3.076 5.495
125 1HB LYS 18 HB2 LYS 18 7.773 2.857 7.575
126 2HB LYS 18 HB1 LYS 18 8.207 1.212 7.130
127 1HG LYS 18 HG2 LYS 18 9.397 2.046 5.171
128 2HG LYS 18 HG1 LYS 18 8.951 3.698 5.599
129 1HD LYS 18 HD2 LYS 18 11.215 3.260 6.319
130 2HD LYS 18 HD1 LYS 18 10.173 3.440 7.731
131 1HE LYS 18 HE2 LYS 18 10.060 1.021 7.975
132 2HE LYS 18 HE1 LYS 18 11.049 0.814 6.530
133 1HZ LYS 18 HZ1 LYS 18 12.333 0.599 8.587
134 2HZ LYS 18 HZ2 LYS 18 11.935 2.187 9.010
135 3HZ LYS 18 HZ3 LYS 18 12.880 1.889 7.640
136 HA PRO 19 HA PRO 19 8.313 -1.010 3.358
137 1HB PRO 19 HB2 PRO 19 6.200 -2.837 4.428
138 2HB PRO 19 HB1 PRO 19 7.875 -3.199 4.001
139 1HG PRO 19 HG2 PRO 19 7.198 -2.964 6.539
140 2HG PRO 19 HG1 PRO 19 8.708 -2.232 5.960
141 1HD PRO 19 HD2 PRO 19 6.089 -0.930 6.591
142 2HD PRO 19 HD1 PRO 19 7.739 -0.355 6.907
143 H CYS 20 HN CYS 20 4.851 -0.887 4.105
144 HA CYS 20 HA CYS 20 3.916 -1.611 1.556
145 1HB CYS 20 HB2 CYS 20 2.541 -1.670 3.614
146 2HB CYS 20 HB1 CYS 20 2.561 0.088 3.669
147 H VAL 21 HN VAL 21 4.282 1.595 3.075
148 HA VAL 21 HA VAL 21 3.458 3.135 0.889
149 HB VAL 21 HB VAL 21 5.525 3.890 2.968
150 1HG1 VAL 21 HG11 VAL 21 3.717 5.863 1.673
151 2HG1 VAL 21 HG12 VAL 21 5.107 5.278 0.758
152 3HG1 VAL 21 HG13 VAL 21 5.347 6.072 2.314
153 1HG2 VAL 21 HG21 VAL 21 2.854 4.967 3.307
154 2HG2 VAL 21 HG22 VAL 21 3.900 4.151 4.469
155 3HG2 VAL 21 HG23 VAL 21 2.881 3.205 3.384
156 H ALA 22 HN ALA 22 6.613 1.762 1.686
157 HA ALA 22 HA ALA 22 8.125 3.091 -0.282
158 1HB ALA 22 HB1 ALA 22 9.518 2.042 1.177
159 2HB ALA 22 HB2 ALA 22 9.481 0.806 -0.080
160 3HB ALA 22 HB3 ALA 22 8.463 0.640 1.350
161 H CYS 23 HN CYS 23 6.434 -0.036 -0.348
162 HA CYS 23 HA CYS 23 7.116 -0.767 -2.981
163 1HB CYS 23 HB2 CYS 23 5.977 -2.157 -1.107
164 2HB CYS 23 HB1 CYS 23 4.477 -1.461 -1.700
165 H CYS 24 HN CYS 24 4.358 0.958 -1.643
166 HA CYS 24 HA CYS 24 2.933 1.325 -4.024
167 1HB CYS 24 HB2 CYS 24 2.959 2.966 -1.492
168 2HB CYS 24 HB1 CYS 24 1.740 3.086 -2.758
169 H LYS 25 HN LYS 25 5.242 3.512 -2.396
170 HA LYS 25 HA LYS 25 4.965 5.637 -4.196
171 1HB LYS 25 HB2 LYS 25 7.260 4.815 -2.431
172 2HB LYS 25 HB1 LYS 25 7.310 6.265 -3.425
173 1HG LYS 25 HG2 LYS 25 5.300 7.097 -2.275
174 2HG LYS 25 HG1 LYS 25 5.321 5.664 -1.246
175 1HD LYS 25 HD2 LYS 25 7.529 7.712 -1.441
176 2HD LYS 25 HD1 LYS 25 6.335 7.617 -0.146
177 1HE LYS 25 HE2 LYS 25 7.148 5.349 0.391
178 2HE LYS 25 HE1 LYS 25 8.383 5.519 -0.856
179 1HZ LYS 25 HZ1 LYS 25 9.665 6.653 0.532
180 2HZ LYS 25 HZ2 LYS 25 8.589 6.267 1.779
181 3HZ LYS 25 HZ3 LYS 25 8.418 7.724 0.937
182 H LYS 26 HN LYS 26 7.248 2.898 -4.257
183 HA LYS 26 HA LYS 26 8.547 3.809 -6.616
184 1HB LYS 26 HB2 LYS 26 9.651 1.680 -6.692
185 2HB LYS 26 HB1 LYS 26 9.578 2.208 -5.018
186 1HG LYS 26 HG2 LYS 26 7.711 0.702 -4.614
187 2HG LYS 26 HG1 LYS 26 7.760 0.183 -6.301
188 1HD LYS 26 HD2 LYS 26 10.126 -0.550 -5.908
189 2HD LYS 26 HD1 LYS 26 9.874 -0.219 -4.192
190 1HE LYS 26 HE2 LYS 26 9.536 -2.590 -4.732
191 2HE LYS 26 HE1 LYS 26 8.064 -1.833 -4.121
192 1HZ LYS 26 HZ1 LYS 26 7.480 -3.156 -5.987
193 2HZ LYS 26 HZ2 LYS 26 8.707 -2.483 -6.942
194 3HZ LYS 26 HZ3 LYS 26 7.383 -1.538 -6.480
195 H ALA 27 HN ALA 27 5.616 2.068 -6.027
196 HA ALA 27 HA ALA 27 5.388 1.161 -8.785
197 1HB ALA 27 HB1 ALA 27 2.951 0.866 -7.313
198 2HB ALA 27 HB2 ALA 27 4.306 0.312 -6.329
199 3HB ALA 27 HB3 ALA 27 4.037 -0.380 -7.929
200 H LYS 28 HN LYS 28 5.256 4.038 -7.552
201 HA LYS 28 HA LYS 28 4.397 6.025 -8.139
202 1HB LYS 28 HB2 LYS 28 4.624 5.021 -10.456
203 2HB LYS 28 HB1 LYS 28 2.905 4.661 -10.373
204 1HG LYS 28 HG2 LYS 28 3.336 6.728 -11.596
205 2HG LYS 28 HG1 LYS 28 2.399 7.028 -10.131
206 1HD LYS 28 HD2 LYS 28 4.463 7.711 -8.974
207 2HD LYS 28 HD1 LYS 28 5.370 7.452 -10.465
208 1HE LYS 28 HE2 LYS 28 3.099 9.409 -10.121
209 2HE LYS 28 HE1 LYS 28 4.812 9.824 -10.088
210 1HZ LYS 28 HZ1 LYS 28 4.870 9.871 -12.291
211 2HZ LYS 28 HZ2 LYS 28 3.185 9.721 -12.299
212 3HZ LYS 28 HZ3 LYS 28 4.158 8.342 -12.425
213 H PHE 29 HN PHE 29 3.232 5.262 -6.037
214 HA PHE 29 HA PHE 29 0.391 5.911 -6.406
215 1HB PHE 29 HB2 PHE 29 1.506 3.774 -4.575
216 2HB PHE 29 HB1 PHE 29 -0.079 4.491 -4.336
217 HD1 PHE 29 HD1 PHE 29 1.957 2.557 -6.762
218 HD2 PHE 29 HD2 PHE 29 -1.940 3.697 -5.489
219 HE1 PHE 29 HE1 PHE 29 0.975 0.905 -8.296
220 HE2 PHE 29 HE2 PHE 29 -2.928 2.047 -7.021
221 HZ PHE 29 HZ PHE 29 -1.470 0.647 -8.427
222 H SER 30 HN SER 30 -0.463 7.241 -4.765
223 HA SER 30 HA SER 30 1.332 9.087 -3.677
224 1HB SER 30 HB2 SER 30 -1.524 8.649 -2.804
225 2HB SER 30 HB1 SER 30 -0.591 10.143 -2.702
226 HG SER 30 HG SER 30 -0.883 10.496 -4.788
227 H ASP 31 HN ASP 31 -0.502 6.482 -2.079
228 HA ASP 31 HA ASP 31 1.529 6.195 -0.073
229 1HB ASP 31 HB2 ASP 31 0.404 8.154 0.855
230 2HB ASP 31 HB1 ASP 31 -1.150 7.330 0.763
231 H GLY 32 HN GLY 32 1.370 4.275 1.044
232 1HA GLY 32 HA2 GLY 32 -0.806 2.495 0.152
233 2HA GLY 32 HA1 GLY 32 0.809 1.961 0.600
234 H HIS 33 HN HIS 33 -1.768 1.065 1.593
235 HA HIS 33 HA HIS 33 -1.228 1.460 4.441
236 1HB HIS 33 HB2 HIS 33 -3.581 1.857 4.954
237 2HB HIS 33 HB1 HIS 33 -2.979 3.090 3.857
238 HD1 HIS 33 HD1 HIS 33 -5.247 0.088 3.953
239 HD2 HIS 33 HD2 HIS 33 -4.241 3.179 1.367
240 HE1 HIS 33 HE1 HIS 33 -6.900 -0.041 2.065
241 H CYS 34 HN CYS 34 -1.631 -0.286 5.690
242 HA CYS 34 HA CYS 34 -1.870 -2.823 4.436
243 1HB CYS 34 HB2 CYS 34 -2.219 -2.228 7.378
244 2HB CYS 34 HB1 CYS 34 -1.709 -3.744 6.647
245 H SER 35 HN SER 35 -3.630 -4.192 4.277
246 HA SER 35 HA SER 35 -6.222 -2.963 4.756
247 1HB SER 35 HB2 SER 35 -7.078 -4.998 3.514
248 2HB SER 35 HB1 SER 35 -6.013 -3.937 2.593
249 HG SER 35 HG SER 35 -4.397 -5.387 2.750
250 H LYS 36 HN LYS 36 -7.994 -4.502 5.530
251 HA LYS 36 HA LYS 36 -7.144 -5.564 8.092
252 1HB LYS 36 HB2 LYS 36 -9.082 -4.114 8.075
253 2HB LYS 36 HB1 LYS 36 -9.884 -5.137 6.889
254 1HG LYS 36 HG2 LYS 36 -9.869 -6.978 8.544
255 2HG LYS 36 HG1 LYS 36 -9.223 -5.848 9.737
256 1HD LYS 36 HD2 LYS 36 -11.515 -5.828 10.161
257 2HD LYS 36 HD1 LYS 36 -11.279 -4.400 9.150
258 1HE LYS 36 HE2 LYS 36 -13.230 -5.627 8.407
259 2HE LYS 36 HE1 LYS 36 -11.965 -5.706 7.181
260 1HZ LYS 36 HZ1 LYS 36 -11.356 -7.910 8.285
261 2HZ LYS 36 HZ2 LYS 36 -12.756 -7.874 7.336
262 3HZ LYS 36 HZ3 LYS 36 -12.877 -7.830 9.021
263 H ILE 37 HN ILE 37 -8.242 -6.740 5.017
264 HA ILE 37 HA ILE 37 -9.109 -9.296 5.886
265 HB ILE 37 HB ILE 37 -8.136 -8.639 3.123
266 1HG1 ILE 37 HG12 ILE 37 -10.915 -8.175 4.212
267 2HG1 ILE 37 HG11 ILE 37 -9.728 -6.900 3.953
268 1HG2 ILE 37 HG21 ILE 37 -10.071 -10.242 2.580
269 2HG2 ILE 37 HG22 ILE 37 -10.002 -10.680 4.287
270 3HG2 ILE 37 HG23 ILE 37 -8.595 -10.932 3.255
271 1HD1 ILE 37 HD11 ILE 37 -9.763 -8.100 1.518
272 2HD1 ILE 37 HD12 ILE 37 -10.725 -6.689 1.966
273 3HD1 ILE 37 HD13 ILE 37 -11.437 -8.302 2.040
274 H LEU 38 HN LEU 38 -6.877 -9.608 3.320
275 HA LEU 38 HA LEU 38 -5.329 -11.528 4.787
276 1HB LEU 38 HB2 LEU 38 -5.970 -11.676 2.350
277 2HB LEU 38 HB1 LEU 38 -4.778 -10.436 2.035
278 HG LEU 38 HG LEU 38 -3.041 -11.926 3.001
279 1HD1 LEU 38 HD11 LEU 38 -3.895 -14.438 2.875
280 2HD1 LEU 38 HD12 LEU 38 -5.408 -13.672 3.359
281 3HD1 LEU 38 HD13 LEU 38 -3.968 -13.489 4.361
282 1HD2 LEU 38 HD21 LEU 38 -3.584 -11.743 0.543
283 2HD2 LEU 38 HD22 LEU 38 -4.494 -13.244 0.719
284 3HD2 LEU 38 HD23 LEU 38 -2.760 -13.222 1.038
285 H ARG 39 HN ARG 39 -5.258 -8.462 5.159
286 HA ARG 39 HA ARG 39 -3.810 -6.870 5.840
287 1HB ARG 39 HB2 ARG 39 -3.129 -8.939 7.247
288 2HB ARG 39 HB1 ARG 39 -1.722 -9.001 6.195
289 1HG ARG 39 HG2 ARG 39 -1.169 -7.821 8.209
290 2HG ARG 39 HG1 ARG 39 -1.165 -6.694 6.852
291 1HD ARG 39 HD2 ARG 39 -3.470 -6.014 7.487
292 2HD ARG 39 HD1 ARG 39 -3.340 -7.047 8.910
293 HE ARG 39 HE ARG 39 -1.143 -5.294 8.855
294 1HH1 ARG 39 HH11 ARG 39 -4.610 -5.206 9.312
295 2HH1 ARG 39 HH12 ARG 39 -4.571 -3.830 10.363
296 1HH2 ARG 39 HH21 ARG 39 -1.075 -3.471 10.225
297 2HH2 ARG 39 HH22 ARG 39 -2.546 -2.834 10.885
298 H ARG 40 HN ARG 40 -3.936 -7.591 3.042
299 HA ARG 40 HA ARG 40 -1.344 -7.503 1.862
300 1HB ARG 40 HB2 ARG 40 -4.085 -6.854 0.776
301 2HB ARG 40 HB1 ARG 40 -2.628 -6.807 -0.202
302 1HG ARG 40 HG2 ARG 40 -2.278 -9.195 0.225
303 2HG ARG 40 HG1 ARG 40 -3.768 -9.229 1.175
304 1HD ARG 40 HD2 ARG 40 -5.063 -8.580 -0.755
305 2HD ARG 40 HD1 ARG 40 -3.599 -8.388 -1.715
306 HE ARG 40 HE ARG 40 -3.710 -11.015 -0.745
307 1HH1 ARG 40 HH11 ARG 40 -5.361 -8.897 -3.006
308 2HH1 ARG 40 HH12 ARG 40 -5.832 -10.199 -4.061
309 1HH2 ARG 40 HH21 ARG 40 -4.320 -12.727 -2.146
310 2HH2 ARG 40 HH22 ARG 40 -5.240 -12.377 -3.571
311 H CYS 41 HN CYS 41 -0.353 -5.740 0.773
312 HA CYS 41 HA CYS 41 -0.731 -3.198 2.096
313 1HB CYS 41 HB2 CYS 41 1.538 -3.833 1.762
314 2HB CYS 41 HB1 CYS 41 1.256 -4.227 0.071
315 H LEU 42 HN LEU 42 -2.581 -2.227 1.392
316 HA LEU 42 HA LEU 42 -3.208 -2.124 -1.436
317 1HB LEU 42 HB2 LEU 42 -4.584 -1.385 1.085
318 2HB LEU 42 HB1 LEU 42 -5.030 -0.465 -0.338
319 HG LEU 42 HG LEU 42 -5.577 -2.632 -1.477
320 1HD1 LEU 42 HD11 LEU 42 -5.803 -4.078 1.052
321 2HD1 LEU 42 HD12 LEU 42 -4.145 -3.796 0.523
322 3HD1 LEU 42 HD13 LEU 42 -5.278 -4.636 -0.536
323 1HD2 LEU 42 HD21 LEU 42 -7.459 -3.020 0.522
324 2HD2 LEU 42 HD22 LEU 42 -7.598 -1.938 -0.864
325 3HD2 LEU 42 HD23 LEU 42 -6.997 -1.325 0.677
326 H CYS 43 HN CYS 43 -2.360 -0.676 -2.725
327 HA CYS 43 HA CYS 43 -1.191 1.750 -1.623
328 1HB CYS 43 HB2 CYS 43 -1.137 0.583 -4.411
329 2HB CYS 43 HB1 CYS 43 -0.272 2.029 -3.905
330 H THR 44 HN THR 44 -2.091 3.699 -1.784
331 HA THR 44 HA THR 44 -4.494 3.976 -3.472
332 HB THR 44 HB THR 44 -4.413 6.056 -1.562
333 HG1 THR 44 HG1 THR 44 -3.034 4.708 -0.307
334 1HG2 THR 44 HG21 THR 44 -6.246 3.929 -0.877
335 2HG2 THR 44 HG22 THR 44 -6.243 4.244 -2.612
336 3HG2 THR 44 HG23 THR 44 -6.581 5.553 -1.479
337 H LYS 45 HN LYS 45 -4.763 5.855 -4.657
338 HA LYS 45 HA LYS 45 -2.938 8.033 -4.489
339 1HB LYS 45 HB2 LYS 45 -1.921 7.877 -6.679
340 2HB LYS 45 HB1 LYS 45 -1.501 6.475 -5.712
341 1HG LYS 45 HG2 LYS 45 -3.114 5.127 -6.933
342 2HG LYS 45 HG1 LYS 45 -3.586 6.542 -7.884
343 1HD LYS 45 HD2 LYS 45 -1.391 6.718 -8.827
344 2HD LYS 45 HD1 LYS 45 -0.775 5.465 -7.752
345 1HE LYS 45 HE2 LYS 45 -2.409 3.891 -8.855
346 2HE LYS 45 HE1 LYS 45 -2.693 5.160 -10.049
347 1HZ LYS 45 HZ1 LYS 45 0.093 4.701 -9.649
348 2HZ LYS 45 HZ2 LYS 45 -0.808 4.652 -11.083
349 3HZ LYS 45 HZ3 LYS 45 -0.698 3.275 -10.109
350 H GLU 46 HN GLU 46 -3.284 9.564 -6.368
351 HA GLU 46 HA GLU 46 -6.100 10.047 -6.570
352 1HB GLU 46 HB2 GLU 46 -5.286 12.085 -7.854
353 2HB GLU 46 HB1 GLU 46 -4.742 11.947 -6.187
354 1HG GLU 46 HG2 GLU 46 -2.632 10.894 -7.107
355 2HG GLU 46 HG1 GLU 46 -3.180 11.422 -8.696
356 H CYS 47 HN CYS 47 -7.280 10.299 -8.481
357 HA CYS 47 HA CYS 47 -6.329 9.728 -11.067
358 1HB CYS 47 HB2 CYS 47 -7.412 7.565 -11.449
359 2HB CYS 47 HB1 CYS 47 -6.180 7.424 -10.200
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 -9.008 15.270 -6.314
2 2H ALA 1 HT2 ALA 1 -10.417 15.610 -7.184
3 3H ALA 1 HT3 ALA 1 -9.235 14.591 -7.848
4 HA ALA 1 HA ALA 1 -11.091 14.052 -5.625
5 1HB ALA 1 HB1 ALA 1 -10.451 12.124 -7.787
6 2HB ALA 1 HB2 ALA 1 -11.415 13.540 -8.206
7 3HB ALA 1 HB3 ALA 1 -11.978 12.428 -6.958
8 H THR 2 HN THR 2 -10.531 11.255 -5.705
9 HA THR 2 HA THR 2 -7.741 11.002 -4.931
10 HB THR 2 HB THR 2 -9.955 10.287 -2.995
11 HG1 THR 2 HG1 THR 2 -8.286 12.542 -3.255
12 1HG2 THR 2 HG21 THR 2 -7.885 8.872 -2.951
13 2HG2 THR 2 HG22 THR 2 -8.201 9.745 -1.452
14 3HG2 THR 2 HG23 THR 2 -6.967 10.328 -2.569
15 H CYS 3 HN CYS 3 -7.123 9.350 -6.075
16 HA CYS 3 HA CYS 3 -8.952 7.191 -6.726
17 1HB CYS 3 HB2 CYS 3 -6.219 8.000 -7.713
18 2HB CYS 3 HB1 CYS 3 -6.940 6.448 -8.145
19 H LYS 4 HN LYS 4 -8.754 5.133 -6.014
20 HA LYS 4 HA LYS 4 -6.495 4.457 -4.260
21 1HB LYS 4 HB2 LYS 4 -8.315 5.188 -2.806
22 2HB LYS 4 HB1 LYS 4 -9.425 4.083 -3.602
23 1HG LYS 4 HG2 LYS 4 -8.020 2.194 -2.808
24 2HG LYS 4 HG1 LYS 4 -7.053 3.356 -1.899
25 1HD LYS 4 HD2 LYS 4 -8.589 2.507 -0.343
26 2HD LYS 4 HD1 LYS 4 -9.242 4.077 -0.809
27 1HE LYS 4 HE2 LYS 4 -10.115 1.456 -2.021
28 2HE LYS 4 HE1 LYS 4 -10.933 2.233 -0.669
29 1HZ LYS 4 HZ1 LYS 4 -10.849 4.223 -2.457
30 2HZ LYS 4 HZ2 LYS 4 -12.151 3.158 -2.289
31 3HZ LYS 4 HZ3 LYS 4 -10.989 2.888 -3.487
32 H ALA 5 HN ALA 5 -5.675 2.566 -4.685
33 HA ALA 5 HA ALA 5 -7.206 0.294 -5.521
34 1HB ALA 5 HB1 ALA 5 -6.816 1.739 -7.637
35 2HB ALA 5 HB2 ALA 5 -6.452 0.015 -7.711
36 3HB ALA 5 HB3 ALA 5 -5.146 1.184 -7.514
37 H GLU 6 HN GLU 6 -6.036 -1.591 -5.154
38 HA GLU 6 HA GLU 6 -3.830 -1.375 -3.420
39 1HB GLU 6 HB2 GLU 6 -4.641 -3.873 -4.899
40 2HB GLU 6 HB1 GLU 6 -3.813 -3.750 -3.356
41 1HG GLU 6 HG2 GLU 6 -5.831 -2.743 -2.375
42 2HG GLU 6 HG1 GLU 6 -6.662 -2.970 -3.914
43 H CYS 7 HN CYS 7 -1.702 -1.798 -3.701
44 HA CYS 7 HA CYS 7 -0.506 -1.040 -6.114
45 1HB CYS 7 HB2 CYS 7 0.575 -0.963 -3.843
46 2HB CYS 7 HB1 CYS 7 0.784 -2.708 -3.941
47 HA PRO 8 HA PRO 8 -1.075 -4.703 -8.573
48 1HB PRO 8 HB2 PRO 8 1.267 -3.622 -10.046
49 2HB PRO 8 HB1 PRO 8 -0.334 -4.066 -10.647
50 1HG PRO 8 HG2 PRO 8 0.364 -1.506 -10.385
51 2HG PRO 8 HG1 PRO 8 -1.281 -2.050 -10.005
52 1HD PRO 8 HD2 PRO 8 0.968 -1.370 -8.156
53 2HD PRO 8 HD1 PRO 8 -0.769 -1.040 -7.989
54 H THR 9 HN THR 9 2.186 -3.676 -7.648
55 HA THR 9 HA THR 9 3.197 -6.383 -7.844
56 HB THR 9 HB THR 9 5.310 -5.193 -6.898
57 HG1 THR 9 HG1 THR 9 4.153 -3.268 -6.285
58 1HG2 THR 9 HG21 THR 9 5.081 -3.939 -9.432
59 2HG2 THR 9 HG22 THR 9 4.215 -5.473 -9.515
60 3HG2 THR 9 HG23 THR 9 5.910 -5.442 -9.029
61 H TRP 10 HN TRP 10 1.217 -6.444 -6.028
62 HA TRP 10 HA TRP 10 2.680 -6.854 -3.524
63 1HB TRP 10 HB2 TRP 10 1.450 -4.639 -3.478
64 2HB TRP 10 HB1 TRP 10 -0.048 -5.554 -3.603
65 HD1 TRP 10 HD1 TRP 10 -0.969 -6.678 -1.424
66 HE1 TRP 10 HE1 TRP 10 -0.246 -6.612 1.051
67 HE3 TRP 10 HE3 TRP 10 3.605 -4.477 -1.982
68 HZ2 TRP 10 HZ2 TRP 10 1.986 -5.723 2.568
69 HZ3 TRP 10 HZ3 TRP 10 4.963 -4.045 0.021
70 HH2 TRP 10 HH2 TRP 10 4.168 -4.658 2.244
71 H ASP 11 HN ASP 11 2.449 -8.914 -3.032
72 HA ASP 11 HA ASP 11 -0.184 -10.177 -3.212
73 1HB ASP 11 HB2 ASP 11 0.699 -12.143 -4.333
74 2HB ASP 11 HB1 ASP 11 1.060 -10.724 -5.311
75 H SER 12 HN SER 12 1.531 -9.171 -1.065
76 HA SER 12 HA SER 12 1.821 -11.684 0.429
77 1HB SER 12 HB2 SER 12 3.710 -9.321 0.538
78 2HB SER 12 HB1 SER 12 3.812 -10.761 1.551
79 HG SER 12 HG SER 12 3.696 -11.255 -1.166
80 H VAL 13 HN VAL 13 1.813 -11.341 2.808
81 HA VAL 13 HA VAL 13 -0.384 -9.631 3.524
82 HB VAL 13 HB VAL 13 1.357 -11.366 5.293
83 1HG1 VAL 13 HG11 VAL 13 0.331 -10.094 6.864
84 2HG1 VAL 13 HG12 VAL 13 -0.976 -11.246 6.588
85 3HG1 VAL 13 HG13 VAL 13 -1.011 -9.667 5.803
86 1HG2 VAL 13 HG21 VAL 13 -0.686 -12.882 5.199
87 2HG2 VAL 13 HG22 VAL 13 0.332 -12.824 3.760
88 3HG2 VAL 13 HG23 VAL 13 -1.189 -11.932 3.801
89 H CYS 14 HN CYS 14 -0.232 -7.630 4.255
90 HA CYS 14 HA CYS 14 2.292 -6.352 4.576
91 1HB CYS 14 HB2 CYS 14 0.537 -5.046 3.659
92 2HB CYS 14 HB1 CYS 14 -0.551 -5.443 4.984
93 H ILE 15 HN ILE 15 3.481 -6.177 6.318
94 HA ILE 15 HA ILE 15 2.339 -6.887 8.925
95 HB ILE 15 HB ILE 15 5.253 -6.659 8.133
96 1HG1 ILE 15 HG12 ILE 15 4.166 -8.483 6.916
97 2HG1 ILE 15 HG11 ILE 15 5.264 -9.122 8.134
98 1HG2 ILE 15 HG21 ILE 15 5.827 -7.513 10.216
99 2HG2 ILE 15 HG22 ILE 15 4.201 -8.123 10.525
100 3HG2 ILE 15 HG23 ILE 15 4.520 -6.390 10.592
101 1HD1 ILE 15 HD11 ILE 15 3.352 -9.556 9.605
102 2HD1 ILE 15 HD12 ILE 15 3.218 -10.405 8.066
103 3HD1 ILE 15 HD13 ILE 15 2.267 -8.948 8.355
104 H ASN 16 HN ASN 16 3.703 -4.304 7.092
105 HA ASN 16 HA ASN 16 3.160 -2.428 9.234
106 1HB ASN 16 HB2 ASN 16 5.545 -3.179 9.542
107 2HB ASN 16 HB1 ASN 16 5.903 -2.528 7.948
108 1HD2 ASN 16 HD21 ASN 16 5.790 -1.893 11.220
109 2HD2 ASN 16 HD22 ASN 16 5.947 -0.173 11.160
110 H LYS 17 HN LYS 17 3.062 -0.227 8.460
111 HA LYS 17 HA LYS 17 1.875 0.026 5.923
112 1HB LYS 17 HB2 LYS 17 1.517 1.488 7.966
113 2HB LYS 17 HB1 LYS 17 3.031 2.281 7.562
114 1HG LYS 17 HG2 LYS 17 2.081 2.931 5.383
115 2HG LYS 17 HG1 LYS 17 0.549 2.192 5.856
116 1HD LYS 17 HD2 LYS 17 0.520 3.727 7.837
117 2HD LYS 17 HD1 LYS 17 1.927 4.541 7.153
118 1HE LYS 17 HE2 LYS 17 -0.783 4.277 5.852
119 2HE LYS 17 HE1 LYS 17 -0.137 5.729 6.614
120 1HZ LYS 17 HZ1 LYS 17 0.242 6.043 4.352
121 2HZ LYS 17 HZ2 LYS 17 0.715 4.436 4.099
122 3HZ LYS 17 HZ3 LYS 17 1.741 5.497 4.923
123 H LYS 18 HN LYS 18 5.166 0.469 7.023
124 HA LYS 18 HA LYS 18 6.291 2.061 5.098
125 1HB LYS 18 HB2 LYS 18 7.461 1.149 7.081
126 2HB LYS 18 HB1 LYS 18 7.555 -0.414 6.287
127 1HG LYS 18 HG2 LYS 18 9.664 0.655 6.063
128 2HG LYS 18 HG1 LYS 18 8.887 0.663 4.478
129 1HD LYS 18 HD2 LYS 18 8.281 2.968 4.714
130 2HD LYS 18 HD1 LYS 18 8.810 2.986 6.398
131 1HE LYS 18 HE2 LYS 18 10.589 2.547 4.001
132 2HE LYS 18 HE1 LYS 18 10.444 4.053 4.907
133 1HZ LYS 18 HZ1 LYS 18 12.361 2.925 5.688
134 2HZ LYS 18 HZ2 LYS 18 11.526 1.467 5.879
135 3HZ LYS 18 HZ3 LYS 18 11.188 2.774 6.898
136 HA PRO 19 HA PRO 19 7.207 -1.898 2.207
137 1HB PRO 19 HB2 PRO 19 4.792 -3.397 3.161
138 2HB PRO 19 HB1 PRO 19 6.308 -4.033 2.519
139 1HG PRO 19 HG2 PRO 19 5.888 -4.097 5.111
140 2HG PRO 19 HG1 PRO 19 7.472 -3.572 4.504
141 1HD PRO 19 HD2 PRO 19 5.217 -1.932 5.586
142 2HD PRO 19 HD1 PRO 19 6.966 -1.733 5.814
143 H CYS 20 HN CYS 20 3.860 -1.210 3.162
144 HA CYS 20 HA CYS 20 2.721 -1.378 0.603
145 1HB CYS 20 HB2 CYS 20 1.462 -1.434 2.755
146 2HB CYS 20 HB1 CYS 20 1.767 0.288 2.941
147 H VAL 21 HN VAL 21 3.799 1.470 2.466
148 HA VAL 21 HA VAL 21 3.163 3.418 0.558
149 HB VAL 21 HB VAL 21 5.478 3.481 2.511
150 1HG1 VAL 21 HG11 VAL 21 5.859 5.596 1.914
151 2HG1 VAL 21 HG12 VAL 21 4.140 5.991 1.925
152 3HG1 VAL 21 HG13 VAL 21 4.869 5.266 0.492
153 1HG2 VAL 21 HG21 VAL 21 2.654 3.462 2.961
154 2HG2 VAL 21 HG22 VAL 21 3.314 5.029 3.429
155 3HG2 VAL 21 HG23 VAL 21 3.968 3.550 4.134
156 H ALA 22 HN ALA 22 6.034 1.398 0.926
157 HA ALA 22 HA ALA 22 7.636 2.658 -1.021
158 1HB ALA 22 HB1 ALA 22 8.682 0.282 -1.150
159 2HB ALA 22 HB2 ALA 22 7.607 -0.070 0.203
160 3HB ALA 22 HB3 ALA 22 8.813 1.209 0.345
161 H CYS 23 HN CYS 23 5.410 -0.097 -1.231
162 HA CYS 23 HA CYS 23 5.758 -0.641 -3.973
163 1HB CYS 23 HB2 CYS 23 4.574 -2.033 -2.137
164 2HB CYS 23 HB1 CYS 23 3.162 -1.053 -2.499
165 H CYS 24 HN CYS 24 3.372 1.307 -2.240
166 HA CYS 24 HA CYS 24 1.871 2.122 -4.443
167 1HB CYS 24 HB2 CYS 24 2.360 3.441 -1.779
168 2HB CYS 24 HB1 CYS 24 1.171 4.016 -2.942
169 H LYS 25 HN LYS 25 4.713 3.678 -2.957
170 HA LYS 25 HA LYS 25 4.627 5.947 -4.635
171 1HB LYS 25 HB2 LYS 25 6.849 4.718 -3.024
172 2HB LYS 25 HB1 LYS 25 7.086 6.167 -3.994
173 1HG LYS 25 HG2 LYS 25 5.224 7.237 -2.734
174 2HG LYS 25 HG1 LYS 25 5.184 5.816 -1.688
175 1HD LYS 25 HD2 LYS 25 7.580 7.600 -2.107
176 2HD LYS 25 HD1 LYS 25 6.486 7.677 -0.724
177 1HE LYS 25 HE2 LYS 25 7.076 5.385 -0.125
178 2HE LYS 25 HE1 LYS 25 8.154 5.293 -1.518
179 1HZ LYS 25 HZ1 LYS 25 9.605 5.845 0.143
180 2HZ LYS 25 HZ2 LYS 25 8.481 6.788 0.986
181 3HZ LYS 25 HZ3 LYS 25 9.202 7.388 -0.421
182 H LYS 26 HN LYS 26 6.294 2.816 -4.978
183 HA LYS 26 HA LYS 26 7.606 3.612 -7.392
184 1HB LYS 26 HB2 LYS 26 8.181 1.275 -7.714
185 2HB LYS 26 HB1 LYS 26 8.483 1.746 -6.049
186 1HG LYS 26 HG2 LYS 26 6.950 0.323 -5.229
187 2HG LYS 26 HG1 LYS 26 5.840 0.569 -6.577
188 1HD LYS 26 HD2 LYS 26 8.395 -0.902 -7.044
189 2HD LYS 26 HD1 LYS 26 7.061 -1.731 -6.242
190 1HE LYS 26 HE2 LYS 26 6.967 -2.160 -8.617
191 2HE LYS 26 HE1 LYS 26 5.597 -1.161 -8.143
192 1HZ LYS 26 HZ1 LYS 26 8.042 0.122 -9.155
193 2HZ LYS 26 HZ2 LYS 26 6.442 0.670 -9.221
194 3HZ LYS 26 HZ3 LYS 26 6.956 -0.573 -10.248
195 H ALA 27 HN ALA 27 4.428 2.726 -6.618
196 HA ALA 27 HA ALA 27 3.767 1.923 -9.353
197 1HB ALA 27 HB1 ALA 27 2.035 0.809 -8.474
198 2HB ALA 27 HB2 ALA 27 1.536 2.189 -7.496
199 3HB ALA 27 HB3 ALA 27 2.795 1.102 -6.910
200 H LYS 28 HN LYS 28 4.345 4.691 -7.877
201 HA LYS 28 HA LYS 28 3.956 6.860 -8.337
202 1HB LYS 28 HB2 LYS 28 3.804 5.974 -10.711
203 2HB LYS 28 HB1 LYS 28 2.058 6.006 -10.517
204 1HG LYS 28 HG2 LYS 28 2.053 8.374 -10.259
205 2HG LYS 28 HG1 LYS 28 3.815 8.423 -10.162
206 1HD LYS 28 HD2 LYS 28 2.223 7.541 -12.572
207 2HD LYS 28 HD1 LYS 28 2.975 9.125 -12.372
208 1HE LYS 28 HE2 LYS 28 5.175 8.059 -12.221
209 2HE LYS 28 HE1 LYS 28 4.423 6.477 -12.414
210 1HZ LYS 28 HZ1 LYS 28 3.509 7.507 -14.584
211 2HZ LYS 28 HZ2 LYS 28 5.111 6.966 -14.539
212 3HZ LYS 28 HZ3 LYS 28 4.773 8.618 -14.403
213 H PHE 29 HN PHE 29 2.774 6.167 -6.197
214 HA PHE 29 HA PHE 29 0.127 7.444 -6.282
215 1HB PHE 29 HB2 PHE 29 0.879 4.922 -4.802
216 2HB PHE 29 HB1 PHE 29 -0.466 5.927 -4.283
217 HD1 PHE 29 HD1 PHE 29 -2.568 5.645 -5.214
218 HD2 PHE 29 HD2 PHE 29 0.822 4.020 -7.205
219 HE1 PHE 29 HE1 PHE 29 -4.057 4.462 -6.774
220 HE2 PHE 29 HE2 PHE 29 -0.661 2.839 -8.772
221 HZ PHE 29 HZ PHE 29 -3.104 3.058 -8.558
222 H SER 30 HN SER 30 -0.352 8.722 -4.445
223 HA SER 30 HA SER 30 1.823 10.080 -3.336
224 1HB SER 30 HB2 SER 30 -0.996 10.046 -2.254
225 2HB SER 30 HB1 SER 30 0.200 11.330 -2.079
226 HG SER 30 HG SER 30 -0.292 12.044 -4.001
227 H ASP 31 HN ASP 31 -0.374 7.714 -1.836
228 HA ASP 31 HA ASP 31 1.712 6.833 -0.059
229 1HB ASP 31 HB2 ASP 31 0.945 8.792 1.191
230 2HB ASP 31 HB1 ASP 31 -0.718 8.219 1.105
231 H GLY 32 HN GLY 32 1.186 4.898 1.039
232 1HA GLY 32 HA2 GLY 32 -1.251 3.599 -0.007
233 2HA GLY 32 HA1 GLY 32 0.282 2.762 0.182
234 H HIS 33 HN HIS 33 -2.402 2.238 1.288
235 HA HIS 33 HA HIS 33 -1.563 2.037 4.090
236 1HB HIS 33 HB2 HIS 33 -3.803 2.574 4.876
237 2HB HIS 33 HB1 HIS 33 -3.152 3.900 3.931
238 HD1 HIS 33 HD1 HIS 33 -5.830 1.300 3.922
239 HD2 HIS 33 HD2 HIS 33 -4.511 4.395 1.487
240 HE1 HIS 33 HE1 HIS 33 -7.631 1.624 2.201
241 H CYS 34 HN CYS 34 -1.752 0.098 4.879
242 HA CYS 34 HA CYS 34 -2.679 -2.057 3.243
243 1HB CYS 34 HB2 CYS 34 -1.790 -2.078 6.134
244 2HB CYS 34 HB1 CYS 34 -1.964 -3.488 5.092
245 H SER 35 HN SER 35 -4.491 -3.338 3.502
246 HA SER 35 HA SER 35 -6.683 -2.104 4.879
247 1HB SER 35 HB2 SER 35 -7.948 -4.142 4.016
248 2HB SER 35 HB1 SER 35 -7.231 -3.095 2.792
249 HG SER 35 HG SER 35 -5.908 -4.634 2.232
250 H LYS 36 HN LYS 36 -8.109 -4.395 5.760
251 HA LYS 36 HA LYS 36 -6.513 -5.054 8.137
252 1HB LYS 36 HB2 LYS 36 -8.530 -3.780 8.620
253 2HB LYS 36 HB1 LYS 36 -9.512 -4.977 7.787
254 1HG LYS 36 HG2 LYS 36 -8.824 -6.658 9.452
255 2HG LYS 36 HG1 LYS 36 -7.926 -5.405 10.310
256 1HD LYS 36 HD2 LYS 36 -10.898 -5.353 9.777
257 2HD LYS 36 HD1 LYS 36 -10.152 -5.842 11.298
258 1HE LYS 36 HE2 LYS 36 -9.155 -3.606 11.510
259 2HE LYS 36 HE1 LYS 36 -9.935 -3.125 10.004
260 1HZ LYS 36 HZ1 LYS 36 -10.986 -2.891 12.515
261 2HZ LYS 36 HZ2 LYS 36 -11.794 -4.230 11.871
262 3HZ LYS 36 HZ3 LYS 36 -11.838 -2.746 11.060
263 H ILE 37 HN ILE 37 -8.786 -6.477 5.819
264 HA ILE 37 HA ILE 37 -8.835 -9.061 6.862
265 HB ILE 37 HB ILE 37 -9.140 -8.339 3.949
266 1HG1 ILE 37 HG12 ILE 37 -11.239 -8.365 6.130
267 2HG1 ILE 37 HG11 ILE 37 -10.540 -6.912 5.425
268 1HG2 ILE 37 HG21 ILE 37 -10.121 -10.652 5.613
269 2HG2 ILE 37 HG22 ILE 37 -9.024 -10.706 4.233
270 3HG2 ILE 37 HG23 ILE 37 -10.721 -10.289 3.995
271 1HD1 ILE 37 HD11 ILE 37 -12.062 -6.948 3.826
272 2HD1 ILE 37 HD12 ILE 37 -12.779 -8.386 4.553
273 3HD1 ILE 37 HD13 ILE 37 -11.526 -8.551 3.322
274 H LEU 38 HN LEU 38 -7.485 -8.731 3.626
275 HA LEU 38 HA LEU 38 -5.480 -10.717 4.292
276 1HB LEU 38 HB2 LEU 38 -6.860 -10.751 2.188
277 2HB LEU 38 HB1 LEU 38 -5.956 -9.353 1.647
278 HG LEU 38 HG LEU 38 -3.873 -10.686 1.801
279 1HD1 LEU 38 HD11 LEU 38 -5.706 -13.049 2.165
280 2HD1 LEU 38 HD12 LEU 38 -4.751 -12.323 3.458
281 3HD1 LEU 38 HD13 LEU 38 -3.944 -13.062 2.075
282 1HD2 LEU 38 HD21 LEU 38 -5.215 -12.417 -0.023
283 2HD2 LEU 38 HD22 LEU 38 -4.186 -11.027 -0.369
284 3HD2 LEU 38 HD23 LEU 38 -5.921 -10.805 -0.143
285 H ARG 39 HN ARG 39 -5.545 -7.604 4.821
286 HA ARG 39 HA ARG 39 -4.043 -5.935 5.131
287 1HB ARG 39 HB2 ARG 39 -2.122 -8.252 4.940
288 2HB ARG 39 HB1 ARG 39 -1.616 -6.613 5.317
289 1HG ARG 39 HG2 ARG 39 -3.485 -8.324 6.932
290 2HG ARG 39 HG1 ARG 39 -1.816 -7.906 7.328
291 1HD ARG 39 HD2 ARG 39 -2.469 -5.523 7.387
292 2HD ARG 39 HD1 ARG 39 -4.141 -6.000 7.098
293 HE ARG 39 HE ARG 39 -3.192 -7.388 9.336
294 1HH1 ARG 39 HH11 ARG 39 -4.078 -4.153 8.349
295 2HH1 ARG 39 HH12 ARG 39 -4.417 -3.612 9.961
296 1HH2 ARG 39 HH21 ARG 39 -3.667 -6.696 11.466
297 2HH2 ARG 39 HH22 ARG 39 -4.190 -5.069 11.740
298 H ARG 40 HN ARG 40 -4.978 -6.571 2.488
299 HA ARG 40 HA ARG 40 -2.960 -6.389 0.542
300 1HB ARG 40 HB2 ARG 40 -5.880 -5.649 0.552
301 2HB ARG 40 HB1 ARG 40 -4.873 -5.428 -0.873
302 1HG ARG 40 HG2 ARG 40 -4.450 -7.764 -1.034
303 2HG ARG 40 HG1 ARG 40 -5.196 -8.065 0.536
304 1HD ARG 40 HD2 ARG 40 -7.357 -7.606 -0.291
305 2HD ARG 40 HD1 ARG 40 -6.722 -6.868 -1.761
306 HE ARG 40 HE ARG 40 -7.162 -9.659 -1.273
307 1HH1 ARG 40 HH11 ARG 40 -5.453 -7.292 -3.212
308 2HH1 ARG 40 HH12 ARG 40 -4.986 -8.450 -4.427
309 1HH2 ARG 40 HH21 ARG 40 -6.565 -11.178 -2.889
310 2HH2 ARG 40 HH22 ARG 40 -5.627 -10.653 -4.246
311 H CYS 41 HN CYS 41 -1.879 -4.707 -0.310
312 HA CYS 41 HA CYS 41 -1.813 -2.264 1.180
313 1HB CYS 41 HB2 CYS 41 0.252 -3.244 0.400
314 2HB CYS 41 HB1 CYS 41 -0.304 -3.186 -1.268
315 H LEU 42 HN LEU 42 -3.729 -1.149 0.840
316 HA LEU 42 HA LEU 42 -4.610 -0.549 -1.854
317 1HB LEU 42 HB2 LEU 42 -5.571 0.082 0.903
318 2HB LEU 42 HB1 LEU 42 -6.109 1.110 -0.410
319 HG LEU 42 HG LEU 42 -6.972 -0.980 -1.547
320 1HD1 LEU 42 HD11 LEU 42 -7.358 -2.589 0.724
321 2HD1 LEU 42 HD12 LEU 42 -5.637 -2.205 0.666
322 3HD1 LEU 42 HD13 LEU 42 -6.419 -2.960 -0.723
323 1HD2 LEU 42 HD21 LEU 42 -8.040 0.508 0.651
324 2HD2 LEU 42 HD22 LEU 42 -8.637 -1.150 0.708
325 3HD2 LEU 42 HD23 LEU 42 -8.874 -0.176 -0.743
326 H CYS 43 HN CYS 43 -3.702 1.012 -3.032
327 HA CYS 43 HA CYS 43 -2.121 3.055 -1.689
328 1HB CYS 43 HB2 CYS 43 -2.405 2.398 -4.626
329 2HB CYS 43 HB1 CYS 43 -1.301 3.588 -3.950
330 H THR 44 HN THR 44 -2.510 5.221 -1.820
331 HA THR 44 HA THR 44 -5.003 6.054 -3.141
332 HB THR 44 HB THR 44 -4.993 7.755 -1.080
333 HG1 THR 44 HG1 THR 44 -3.089 6.468 -0.247
334 1HG2 THR 44 HG21 THR 44 -6.097 4.962 -0.805
335 2HG2 THR 44 HG22 THR 44 -6.817 6.208 -1.825
336 3HG2 THR 44 HG23 THR 44 -6.726 6.441 -0.079
337 H LYS 45 HN LYS 45 -4.973 8.022 -4.121
338 HA LYS 45 HA LYS 45 -2.888 9.933 -3.668
339 1HB LYS 45 HB2 LYS 45 -1.874 9.887 -5.858
340 2HB LYS 45 HB1 LYS 45 -1.706 8.307 -5.111
341 1HG LYS 45 HG2 LYS 45 -3.521 7.444 -6.472
342 2HG LYS 45 HG1 LYS 45 -3.757 9.041 -7.191
343 1HD LYS 45 HD2 LYS 45 -1.544 8.980 -8.153
344 2HD LYS 45 HD1 LYS 45 -1.200 7.451 -7.344
345 1HE LYS 45 HE2 LYS 45 -3.092 6.443 -8.631
346 2HE LYS 45 HE1 LYS 45 -3.204 7.953 -9.536
347 1HZ LYS 45 HZ1 LYS 45 -0.530 6.942 -9.446
348 2HZ LYS 45 HZ2 LYS 45 -1.472 7.384 -10.784
349 3HZ LYS 45 HZ3 LYS 45 -1.601 5.827 -10.139
350 H GLU 46 HN GLU 46 -3.128 11.824 -5.088
351 HA GLU 46 HA GLU 46 -5.912 12.450 -5.408
352 1HB GLU 46 HB2 GLU 46 -4.913 14.676 -6.206
353 2HB GLU 46 HB1 GLU 46 -4.624 14.210 -4.535
354 1HG GLU 46 HG2 GLU 46 -2.409 13.291 -5.286
355 2HG GLU 46 HG1 GLU 46 -2.710 14.052 -6.847
356 H CYS 47 HN CYS 47 -6.962 12.989 -7.330
357 HA CYS 47 HA CYS 47 -5.637 12.803 -9.863
358 1HB CYS 47 HB2 CYS 47 -7.032 10.915 -10.699
359 2HB CYS 47 HB1 CYS 47 -5.868 10.431 -9.472
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 -10.340 9.359 -8.996
2 2H ALA 1 HT2 ALA 1 -10.453 11.045 -8.971
3 3H ALA 1 HT3 ALA 1 -10.009 10.209 -7.570
4 HA ALA 1 HA ALA 1 -8.348 9.680 -9.843
5 1HB ALA 1 HB1 ALA 1 -7.573 11.734 -10.317
6 2HB ALA 1 HB2 ALA 1 -7.639 12.252 -8.632
7 3HB ALA 1 HB3 ALA 1 -9.097 12.289 -9.624
8 H THR 2 HN THR 2 -8.834 8.399 -7.380
9 HA THR 2 HA THR 2 -6.170 8.471 -6.250
10 HB THR 2 HB THR 2 -8.504 8.721 -4.348
11 HG1 THR 2 HG1 THR 2 -6.906 10.766 -5.521
12 1HG2 THR 2 HG21 THR 2 -6.050 9.776 -3.368
13 2HG2 THR 2 HG22 THR 2 -5.725 8.188 -4.063
14 3HG2 THR 2 HG23 THR 2 -6.942 8.366 -2.799
15 H CYS 3 HN CYS 3 -6.042 6.370 -7.125
16 HA CYS 3 HA CYS 3 -7.980 4.402 -6.247
17 1HB CYS 3 HB2 CYS 3 -5.708 4.360 -8.207
18 2HB CYS 3 HB1 CYS 3 -6.504 2.868 -7.693
19 H LYS 4 HN LYS 4 -7.593 2.645 -5.009
20 HA LYS 4 HA LYS 4 -5.011 2.518 -3.607
21 1HB LYS 4 HB2 LYS 4 -7.731 2.114 -2.339
22 2HB LYS 4 HB1 LYS 4 -6.179 1.981 -1.527
23 1HG LYS 4 HG2 LYS 4 -5.786 4.379 -1.983
24 2HG LYS 4 HG1 LYS 4 -7.408 4.476 -2.670
25 1HD LYS 4 HD2 LYS 4 -6.760 3.634 0.154
26 2HD LYS 4 HD1 LYS 4 -7.321 5.237 -0.325
27 1HE LYS 4 HE2 LYS 4 -8.833 2.651 -0.697
28 2HE LYS 4 HE1 LYS 4 -9.153 3.861 0.545
29 1HZ LYS 4 HZ1 LYS 4 -9.130 4.913 -2.140
30 2HZ LYS 4 HZ2 LYS 4 -10.251 5.149 -0.895
31 3HZ LYS 4 HZ3 LYS 4 -10.348 3.770 -1.869
32 H ALA 5 HN ALA 5 -4.196 0.537 -3.356
33 HA ALA 5 HA ALA 5 -5.740 -1.866 -3.431
34 1HB ALA 5 HB1 ALA 5 -4.429 -2.758 -5.453
35 2HB ALA 5 HB2 ALA 5 -4.130 -1.064 -5.843
36 3HB ALA 5 HB3 ALA 5 -5.783 -1.674 -5.776
37 H GLU 6 HN GLU 6 -4.645 -3.356 -2.250
38 HA GLU 6 HA GLU 6 -2.228 -2.635 -1.024
39 1HB GLU 6 HB2 GLU 6 -3.452 -5.398 -1.165
40 2HB GLU 6 HB1 GLU 6 -2.180 -4.891 -0.071
41 1HG GLU 6 HG2 GLU 6 -4.102 -4.838 1.224
42 2HG GLU 6 HG1 GLU 6 -3.829 -3.153 0.785
43 H CYS 7 HN CYS 7 -0.191 -3.229 -1.279
44 HA CYS 7 HA CYS 7 0.921 -3.588 -3.771
45 1HB CYS 7 HB2 CYS 7 2.479 -2.912 -2.225
46 2HB CYS 7 HB1 CYS 7 1.843 -3.960 -0.966
47 HA PRO 8 HA PRO 8 -0.324 -7.730 -4.863
48 1HB PRO 8 HB2 PRO 8 1.728 -8.067 -6.735
49 2HB PRO 8 HB1 PRO 8 0.126 -7.401 -7.059
50 1HG PRO 8 HG2 PRO 8 2.703 -5.988 -6.560
51 2HG PRO 8 HG1 PRO 8 1.377 -5.557 -7.655
52 1HD PRO 8 HD2 PRO 8 1.733 -4.276 -5.333
53 2HD PRO 8 HD1 PRO 8 0.103 -4.632 -5.946
54 H THR 9 HN THR 9 3.107 -6.992 -4.390
55 HA THR 9 HA THR 9 3.641 -9.732 -3.590
56 HB THR 9 HB THR 9 6.008 -8.625 -3.234
57 HG1 THR 9 HG1 THR 9 5.248 -6.470 -3.546
58 1HG2 THR 9 HG21 THR 9 5.764 -10.267 -4.903
59 2HG2 THR 9 HG22 THR 9 6.380 -8.853 -5.758
60 3HG2 THR 9 HG23 THR 9 4.667 -9.263 -5.850
61 H TRP 10 HN TRP 10 1.859 -8.394 -1.875
62 HA TRP 10 HA TRP 10 3.473 -8.358 0.569
63 1HB TRP 10 HB2 TRP 10 2.990 -5.996 -0.261
64 2HB TRP 10 HB1 TRP 10 1.296 -6.325 0.092
65 HD1 TRP 10 HD1 TRP 10 0.659 -6.712 2.715
66 HE1 TRP 10 HE1 TRP 10 1.796 -5.822 4.857
67 HE3 TRP 10 HE3 TRP 10 5.154 -5.323 0.714
68 HZ2 TRP 10 HZ2 TRP 10 4.288 -4.662 5.584
69 HZ3 TRP 10 HZ3 TRP 10 6.845 -4.325 2.191
70 HH2 TRP 10 HH2 TRP 10 6.417 -4.003 4.571
71 H ASP 11 HN ASP 11 2.689 -9.850 1.847
72 HA ASP 11 HA ASP 11 -0.139 -9.952 2.421
73 1HB ASP 11 HB2 ASP 11 0.534 -11.620 0.459
74 2HB ASP 11 HB1 ASP 11 1.078 -12.612 1.811
75 H SER 12 HN SER 12 1.543 -8.963 4.063
76 HA SER 12 HA SER 12 1.709 -10.869 6.225
77 1HB SER 12 HB2 SER 12 4.192 -9.456 5.208
78 2HB SER 12 HB1 SER 12 4.096 -10.428 6.676
79 HG SER 12 HG SER 12 3.136 -11.873 4.654
80 H VAL 13 HN VAL 13 2.814 -9.609 8.172
81 HA VAL 13 HA VAL 13 1.163 -7.305 8.600
82 HB VAL 13 HB VAL 13 3.267 -8.577 10.364
83 1HG1 VAL 13 HG11 VAL 13 2.804 -6.176 10.875
84 2HG1 VAL 13 HG12 VAL 13 2.403 -7.290 12.182
85 3HG1 VAL 13 HG13 VAL 13 1.123 -6.620 11.171
86 1HG2 VAL 13 HG21 VAL 13 0.971 -9.158 11.578
87 2HG2 VAL 13 HG22 VAL 13 1.671 -10.194 10.334
88 3HG2 VAL 13 HG23 VAL 13 0.378 -9.068 9.920
89 H CYS 14 HN CYS 14 1.679 -5.279 8.243
90 HA CYS 14 HA CYS 14 4.233 -4.488 7.250
91 1HB CYS 14 HB2 CYS 14 1.819 -3.511 6.818
92 2HB CYS 14 HB1 CYS 14 2.185 -2.528 8.228
93 H ILE 15 HN ILE 15 5.948 -3.913 8.411
94 HA ILE 15 HA ILE 15 5.623 -3.429 11.279
95 HB ILE 15 HB ILE 15 8.175 -3.924 9.731
96 1HG1 ILE 15 HG12 ILE 15 6.532 -5.861 11.380
97 2HG1 ILE 15 HG11 ILE 15 6.597 -5.839 9.621
98 1HG2 ILE 15 HG21 ILE 15 9.314 -3.877 11.692
99 2HG2 ILE 15 HG22 ILE 15 7.953 -4.502 12.624
100 3HG2 ILE 15 HG23 ILE 15 7.995 -2.801 12.157
101 1HD1 ILE 15 HD11 ILE 15 8.011 -7.582 10.605
102 2HD1 ILE 15 HD12 ILE 15 8.948 -6.338 11.433
103 3HD1 ILE 15 HD13 ILE 15 8.943 -6.412 9.671
104 H ASN 16 HN ASN 16 6.505 -1.860 8.327
105 HA ASN 16 HA ASN 16 6.636 0.688 9.677
106 1HB ASN 16 HB2 ASN 16 8.978 -0.246 9.786
107 2HB ASN 16 HB1 ASN 16 9.008 -0.225 8.028
108 1HD2 ASN 16 HD21 ASN 16 9.704 1.474 10.802
109 2HD2 ASN 16 HD22 ASN 16 9.935 3.039 10.106
110 H LYS 17 HN LYS 17 6.463 2.460 8.213
111 HA LYS 17 HA LYS 17 4.795 1.969 6.002
112 1HB LYS 17 HB2 LYS 17 4.643 4.028 7.271
113 2HB LYS 17 HB1 LYS 17 6.291 4.458 6.840
114 1HG LYS 17 HG2 LYS 17 5.633 4.697 4.506
115 2HG LYS 17 HG1 LYS 17 3.982 4.227 4.917
116 1HD LYS 17 HD2 LYS 17 3.655 6.189 6.216
117 2HD LYS 17 HD1 LYS 17 5.372 6.589 6.165
118 1HE LYS 17 HE2 LYS 17 4.121 8.018 4.652
119 2HE LYS 17 HE1 LYS 17 5.209 6.966 3.750
120 1HZ LYS 17 HZ1 LYS 17 2.281 6.932 3.883
121 2HZ LYS 17 HZ2 LYS 17 3.088 5.471 3.615
122 3HZ LYS 17 HZ3 LYS 17 3.298 6.766 2.542
123 H LYS 18 HN LYS 18 8.267 2.542 6.254
124 HA LYS 18 HA LYS 18 8.898 3.183 3.647
125 1HB LYS 18 HB2 LYS 18 10.531 3.194 5.477
126 2HB LYS 18 HB1 LYS 18 10.514 1.436 5.508
127 1HG LYS 18 HG2 LYS 18 11.416 1.385 3.238
128 2HG LYS 18 HG1 LYS 18 11.433 3.149 3.207
129 1HD LYS 18 HD2 LYS 18 12.997 3.163 5.092
130 2HD LYS 18 HD1 LYS 18 12.979 1.398 5.118
131 1HE LYS 18 HE2 LYS 18 13.893 1.358 2.848
132 2HE LYS 18 HE1 LYS 18 13.910 3.121 2.823
133 1HZ LYS 18 HZ1 LYS 18 16.076 2.007 3.370
134 2HZ LYS 18 HZ2 LYS 18 15.389 1.536 4.842
135 3HZ LYS 18 HZ3 LYS 18 15.565 3.179 4.479
136 HA PRO 19 HA PRO 19 9.427 -1.704 2.633
137 1HB PRO 19 HB2 PRO 19 7.153 -2.382 4.478
138 2HB PRO 19 HB1 PRO 19 8.482 -3.413 3.946
139 1HG PRO 19 HG2 PRO 19 8.584 -2.344 6.339
140 2HG PRO 19 HG1 PRO 19 10.037 -2.304 5.318
141 1HD PRO 19 HD2 PRO 19 8.115 -0.112 5.968
142 2HD PRO 19 HD1 PRO 19 9.875 -0.042 5.748
143 H CYS 20 HN CYS 20 6.266 -0.488 3.675
144 HA CYS 20 HA CYS 20 4.783 -1.532 1.518
145 1HB CYS 20 HB2 CYS 20 3.767 -0.843 3.654
146 2HB CYS 20 HB1 CYS 20 4.194 0.833 3.328
147 H VAL 21 HN VAL 21 5.998 1.772 2.133
148 HA VAL 21 HA VAL 21 5.123 2.939 -0.250
149 HB VAL 21 HB VAL 21 7.569 3.600 1.408
150 1HG1 VAL 21 HG11 VAL 21 6.238 5.537 -0.440
151 2HG1 VAL 21 HG12 VAL 21 7.465 4.429 -1.054
152 3HG1 VAL 21 HG13 VAL 21 7.869 5.568 0.230
153 1HG2 VAL 21 HG21 VAL 21 4.699 4.343 1.522
154 2HG2 VAL 21 HG22 VAL 21 5.889 5.581 1.925
155 3HG2 VAL 21 HG23 VAL 21 5.851 4.067 2.828
156 H ALA 22 HN ALA 22 8.008 1.064 0.478
157 HA ALA 22 HA ALA 22 9.417 1.504 -1.907
158 1HB ALA 22 HB1 ALA 22 9.769 -0.040 0.391
159 2HB ALA 22 HB2 ALA 22 10.903 0.155 -0.945
160 3HB ALA 22 HB3 ALA 22 9.765 -1.192 -0.944
161 H CYS 23 HN CYS 23 7.044 -1.026 -1.042
162 HA CYS 23 HA CYS 23 7.134 -2.336 -3.548
163 1HB CYS 23 HB2 CYS 23 6.061 -3.261 -1.424
164 2HB CYS 23 HB1 CYS 23 4.688 -2.224 -1.793
165 H CYS 24 HN CYS 24 4.924 0.061 -2.204
166 HA CYS 24 HA CYS 24 3.218 0.331 -4.373
167 1HB CYS 24 HB2 CYS 24 4.105 2.478 -2.434
168 2HB CYS 24 HB1 CYS 24 2.670 2.545 -3.447
169 H LYS 25 HN LYS 25 6.274 2.024 -3.700
170 HA LYS 25 HA LYS 25 6.152 3.749 -5.922
171 1HB LYS 25 HB2 LYS 25 8.149 3.004 -3.918
172 2HB LYS 25 HB1 LYS 25 8.842 3.449 -5.472
173 1HG LYS 25 HG2 LYS 25 8.591 5.328 -3.835
174 2HG LYS 25 HG1 LYS 25 7.838 5.598 -5.408
175 1HD LYS 25 HD2 LYS 25 5.677 4.804 -4.384
176 2HD LYS 25 HD1 LYS 25 6.489 4.849 -2.819
177 1HE LYS 25 HE2 LYS 25 6.310 7.219 -4.664
178 2HE LYS 25 HE1 LYS 25 5.124 6.882 -3.406
179 1HZ LYS 25 HZ1 LYS 25 7.460 6.742 -2.069
180 2HZ LYS 25 HZ2 LYS 25 6.458 8.103 -2.131
181 3HZ LYS 25 HZ3 LYS 25 7.775 7.975 -3.185
182 H LYS 26 HN LYS 26 7.710 0.548 -5.563
183 HA LYS 26 HA LYS 26 8.750 0.600 -8.209
184 1HB LYS 26 HB2 LYS 26 9.182 -1.816 -7.917
185 2HB LYS 26 HB1 LYS 26 9.807 -0.842 -6.601
186 1HG LYS 26 HG2 LYS 26 8.919 -2.674 -5.521
187 2HG LYS 26 HG1 LYS 26 7.629 -1.482 -5.383
188 1HD LYS 26 HD2 LYS 26 6.711 -3.646 -5.983
189 2HD LYS 26 HD1 LYS 26 6.500 -2.509 -7.315
190 1HE LYS 26 HE2 LYS 26 8.480 -3.462 -8.416
191 2HE LYS 26 HE1 LYS 26 8.644 -4.619 -7.094
192 1HZ LYS 26 HZ1 LYS 26 6.491 -5.532 -7.659
193 2HZ LYS 26 HZ2 LYS 26 7.512 -5.581 -9.007
194 3HZ LYS 26 HZ3 LYS 26 6.302 -4.402 -8.906
195 H ALA 27 HN ALA 27 5.620 0.124 -7.013
196 HA ALA 27 HA ALA 27 4.776 -1.276 -9.457
197 1HB ALA 27 HB1 ALA 27 3.646 -2.454 -7.920
198 2HB ALA 27 HB2 ALA 27 2.526 -1.091 -7.934
199 3HB ALA 27 HB3 ALA 27 3.784 -1.185 -6.702
200 H LYS 28 HN LYS 28 5.414 1.714 -8.788
201 HA LYS 28 HA LYS 28 4.832 3.737 -9.570
202 1HB LYS 28 HB2 LYS 28 4.601 2.556 -11.716
203 2HB LYS 28 HB1 LYS 28 2.911 2.240 -11.358
204 1HG LYS 28 HG2 LYS 28 2.358 4.547 -11.508
205 2HG LYS 28 HG1 LYS 28 4.057 5.015 -11.552
206 1HD LYS 28 HD2 LYS 28 4.334 4.277 -13.738
207 2HD LYS 28 HD1 LYS 28 2.925 3.217 -13.661
208 1HE LYS 28 HE2 LYS 28 2.630 5.282 -15.056
209 2HE LYS 28 HE1 LYS 28 1.427 5.056 -13.790
210 1HZ LYS 28 HZ1 LYS 28 3.243 6.551 -12.522
211 2HZ LYS 28 HZ2 LYS 28 1.899 7.184 -13.336
212 3HZ LYS 28 HZ3 LYS 28 3.411 7.139 -14.099
213 H PHE 29 HN PHE 29 3.802 3.333 -7.198
214 HA PHE 29 HA PHE 29 1.087 4.455 -7.379
215 1HB PHE 29 HB2 PHE 29 2.250 2.667 -5.240
216 2HB PHE 29 HB1 PHE 29 0.815 3.647 -4.972
217 HD1 PHE 29 HD1 PHE 29 -1.292 2.856 -5.580
218 HD2 PHE 29 HD2 PHE 29 2.182 0.971 -7.158
219 HE1 PHE 29 HE1 PHE 29 -2.690 1.055 -6.495
220 HE2 PHE 29 HE2 PHE 29 0.784 -0.828 -8.084
221 HZ PHE 29 HZ PHE 29 -1.654 -0.789 -7.752
222 H SER 30 HN SER 30 0.638 6.240 -6.117
223 HA SER 30 HA SER 30 2.685 8.095 -5.779
224 1HB SER 30 HB2 SER 30 -0.017 8.177 -4.435
225 2HB SER 30 HB1 SER 30 1.003 9.547 -4.881
226 HG SER 30 HG SER 30 0.551 9.214 -6.996
227 H ASP 31 HN ASP 31 0.984 6.162 -3.327
228 HA ASP 31 HA ASP 31 3.263 6.144 -1.610
229 1HB ASP 31 HB2 ASP 31 2.509 8.413 -1.087
230 2HB ASP 31 HB1 ASP 31 0.894 7.809 -0.725
231 H GLY 32 HN GLY 32 3.023 4.738 0.167
232 1HA GLY 32 HA2 GLY 32 0.573 3.098 0.038
233 2HA GLY 32 HA1 GLY 32 2.173 2.435 0.338
234 H HIS 33 HN HIS 33 -0.309 2.296 1.890
235 HA HIS 33 HA HIS 33 0.820 3.184 4.442
236 1HB HIS 33 HB2 HIS 33 -1.526 3.794 5.194
237 2HB HIS 33 HB1 HIS 33 -0.771 4.902 4.059
238 HD1 HIS 33 HD1 HIS 33 -1.578 4.474 1.443
239 HD2 HIS 33 HD2 HIS 33 -4.017 3.007 4.472
240 HE1 HIS 33 HE1 HIS 33 -3.811 4.063 0.371
241 H CYS 34 HN CYS 34 0.791 1.653 5.922
242 HA CYS 34 HA CYS 34 -0.112 -0.960 5.298
243 1HB CYS 34 HB2 CYS 34 0.627 -0.020 8.062
244 2HB CYS 34 HB1 CYS 34 0.847 -1.616 7.354
245 H SER 35 HN SER 35 -1.909 -2.044 5.885
246 HA SER 35 HA SER 35 -4.200 -0.607 6.757
247 1HB SER 35 HB2 SER 35 -4.274 -2.577 5.224
248 2HB SER 35 HB1 SER 35 -3.814 -3.608 6.576
249 HG SER 35 HG SER 35 -6.247 -2.557 5.926
250 H LYS 36 HN LYS 36 -5.583 -1.661 8.606
251 HA LYS 36 HA LYS 36 -3.934 -1.478 10.989
252 1HB LYS 36 HB2 LYS 36 -6.014 -0.162 10.802
253 2HB LYS 36 HB1 LYS 36 -6.936 -1.661 10.745
254 1HG LYS 36 HG2 LYS 36 -7.060 -0.864 12.966
255 2HG LYS 36 HG1 LYS 36 -5.949 -2.239 12.969
256 1HD LYS 36 HD2 LYS 36 -5.068 -0.415 14.330
257 2HD LYS 36 HD1 LYS 36 -4.045 -0.701 12.921
258 1HE LYS 36 HE2 LYS 36 -5.170 1.174 11.769
259 2HE LYS 36 HE1 LYS 36 -6.103 1.483 13.232
260 1HZ LYS 36 HZ1 LYS 36 -3.287 2.014 12.675
261 2HZ LYS 36 HZ2 LYS 36 -3.685 1.556 14.254
262 3HZ LYS 36 HZ3 LYS 36 -4.404 2.922 13.565
263 H ILE 37 HN ILE 37 -6.134 -3.812 9.489
264 HA ILE 37 HA ILE 37 -5.998 -5.691 11.621
265 HB ILE 37 HB ILE 37 -6.731 -6.276 8.754
266 1HG1 ILE 37 HG12 ILE 37 -8.555 -5.355 10.984
267 2HG1 ILE 37 HG11 ILE 37 -7.976 -4.316 9.686
268 1HG2 ILE 37 HG21 ILE 37 -6.816 -8.348 9.643
269 2HG2 ILE 37 HG22 ILE 37 -8.354 -7.794 10.305
270 3HG2 ILE 37 HG23 ILE 37 -6.897 -7.745 11.298
271 1HD1 ILE 37 HD11 ILE 37 -9.436 -5.148 8.204
272 2HD1 ILE 37 HD12 ILE 37 -10.319 -5.645 9.648
273 3HD1 ILE 37 HD13 ILE 37 -9.278 -6.796 8.811
274 H LEU 38 HN LEU 38 -5.242 -6.914 8.451
275 HA LEU 38 HA LEU 38 -3.011 -8.411 9.432
276 1HB LEU 38 HB2 LEU 38 -4.581 -9.153 7.615
277 2HB LEU 38 HB1 LEU 38 -3.844 -7.964 6.565
278 HG LEU 38 HG LEU 38 -1.676 -9.118 6.793
279 1HD1 LEU 38 HD11 LEU 38 -3.246 -11.222 8.276
280 2HD1 LEU 38 HD12 LEU 38 -2.081 -10.117 9.006
281 3HD1 LEU 38 HD13 LEU 38 -1.545 -11.305 7.818
282 1HD2 LEU 38 HD21 LEU 38 -2.300 -10.142 4.929
283 2HD2 LEU 38 HD22 LEU 38 -3.993 -10.018 5.406
284 3HD2 LEU 38 HD23 LEU 38 -3.041 -11.423 5.888
285 H ARG 39 HN ARG 39 -3.357 -5.287 8.573
286 HA ARG 39 HA ARG 39 -1.981 -3.545 8.172
287 1HB ARG 39 HB2 ARG 39 0.414 -5.323 8.523
288 2HB ARG 39 HB1 ARG 39 0.256 -3.610 8.864
289 1HG ARG 39 HG2 ARG 39 -1.160 -5.744 10.422
290 2HG ARG 39 HG1 ARG 39 0.424 -5.098 10.848
291 1HD ARG 39 HD2 ARG 39 -0.496 -2.892 11.123
292 2HD ARG 39 HD1 ARG 39 -2.069 -3.434 10.536
293 HE ARG 39 HE ARG 39 -2.537 -4.205 12.619
294 1HH1 ARG 39 HH11 ARG 39 0.938 -3.777 12.383
295 2HH1 ARG 39 HH12 ARG 39 1.238 -4.249 14.021
296 1HH2 ARG 39 HH21 ARG 39 -2.142 -4.834 14.776
297 2HH2 ARG 39 HH22 ARG 39 -0.523 -4.853 15.388
298 H ARG 40 HN ARG 40 -2.883 -5.209 6.007
299 HA ARG 40 HA ARG 40 -0.885 -5.775 4.130
300 1HB ARG 40 HB2 ARG 40 -3.797 -5.079 3.848
301 2HB ARG 40 HB1 ARG 40 -2.785 -5.306 2.429
302 1HG ARG 40 HG2 ARG 40 -2.231 -7.575 3.236
303 2HG ARG 40 HG1 ARG 40 -3.352 -7.335 4.579
304 1HD ARG 40 HD2 ARG 40 -5.194 -7.043 3.014
305 2HD ARG 40 HD1 ARG 40 -4.086 -7.207 1.652
306 HE ARG 40 HE ARG 40 -5.227 -9.312 3.219
307 1HH1 ARG 40 HH11 ARG 40 -2.528 -8.455 1.142
308 2HH1 ARG 40 HH12 ARG 40 -2.078 -10.106 0.845
309 1HH2 ARG 40 HH21 ARG 40 -4.602 -11.487 2.807
310 2HH2 ARG 40 HH22 ARG 40 -3.221 -11.807 1.795
311 H CYS 41 HN CYS 41 0.123 -4.576 2.587
312 HA CYS 41 HA CYS 41 0.388 -1.785 3.087
313 1HB CYS 41 HB2 CYS 41 2.326 -3.019 2.410
314 2HB CYS 41 HB1 CYS 41 1.514 -3.611 0.965
315 H LEU 42 HN LEU 42 -1.564 -0.734 2.625
316 HA LEU 42 HA LEU 42 -2.850 -1.115 0.069
317 1HB LEU 42 HB2 LEU 42 -3.331 0.631 2.450
318 2HB LEU 42 HB1 LEU 42 -4.064 1.082 0.925
319 HG LEU 42 HG LEU 42 -5.073 -1.273 0.905
320 1HD1 LEU 42 HD11 LEU 42 -3.788 -2.383 2.550
321 2HD1 LEU 42 HD12 LEU 42 -5.407 -2.188 3.222
322 3HD1 LEU 42 HD13 LEU 42 -4.101 -1.124 3.744
323 1HD2 LEU 42 HD21 LEU 42 -5.822 1.084 2.484
324 2HD2 LEU 42 HD22 LEU 42 -6.646 -0.409 2.934
325 3HD2 LEU 42 HD23 LEU 42 -6.739 0.184 1.276
326 H CYS 43 HN CYS 43 -2.011 -0.296 -1.719
327 HA CYS 43 HA CYS 43 -0.315 2.074 -1.545
328 1HB CYS 43 HB2 CYS 43 -0.798 0.129 -3.807
329 2HB CYS 43 HB1 CYS 43 0.289 1.507 -3.887
330 H THR 44 HN THR 44 -0.893 3.997 -2.281
331 HA THR 44 HA THR 44 -3.481 4.269 -3.670
332 HB THR 44 HB THR 44 -2.346 6.770 -2.841
333 HG1 THR 44 HG1 THR 44 -1.314 5.630 -1.176
334 1HG2 THR 44 HG21 THR 44 -4.565 7.034 -2.905
335 2HG2 THR 44 HG22 THR 44 -4.563 6.352 -1.278
336 3HG2 THR 44 HG23 THR 44 -4.862 5.311 -2.671
337 H LYS 45 HN LYS 45 -3.526 5.573 -5.584
338 HA LYS 45 HA LYS 45 -1.097 6.801 -6.489
339 1HB LYS 45 HB2 LYS 45 -0.502 5.436 -8.287
340 2HB LYS 45 HB1 LYS 45 -0.797 4.319 -6.965
341 1HG LYS 45 HG2 LYS 45 -2.947 3.725 -7.891
342 2HG LYS 45 HG1 LYS 45 -2.762 4.934 -9.166
343 1HD LYS 45 HD2 LYS 45 -0.609 3.675 -9.772
344 2HD LYS 45 HD1 LYS 45 -1.245 2.372 -8.768
345 1HE LYS 45 HE2 LYS 45 -1.886 1.882 -10.993
346 2HE LYS 45 HE1 LYS 45 -3.334 2.466 -10.173
347 1HZ LYS 45 HZ1 LYS 45 -1.592 4.166 -11.872
348 2HZ LYS 45 HZ2 LYS 45 -3.094 4.590 -11.216
349 3HZ LYS 45 HZ3 LYS 45 -2.999 3.407 -12.423
350 H GLU 46 HN GLU 46 -1.392 6.900 -9.089
351 HA GLU 46 HA GLU 46 -3.373 8.898 -9.504
352 1HB GLU 46 HB2 GLU 46 -2.313 8.933 -11.786
353 2HB GLU 46 HB1 GLU 46 -1.173 9.131 -10.456
354 1HG GLU 46 HG2 GLU 46 -0.674 6.703 -10.594
355 2HG GLU 46 HG1 GLU 46 -1.708 6.610 -12.014
356 H CYS 47 HN CYS 47 -5.182 8.830 -10.673
357 HA CYS 47 HA CYS 47 -5.888 7.153 -12.718
358 1HB CYS 47 HB2 CYS 47 -7.421 5.560 -11.835
359 2HB CYS 47 HB1 CYS 47 -5.908 5.360 -10.964
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 -10.672 12.980 -4.853
2 2H ALA 1 HT2 ALA 1 -11.937 12.694 -5.941
3 3H ALA 1 HT3 ALA 1 -10.884 13.992 -6.192
4 HA ALA 1 HA ALA 1 -10.686 11.529 -7.297
5 1HB ALA 1 HB1 ALA 1 -8.921 12.441 -8.436
6 2HB ALA 1 HB2 ALA 1 -8.239 13.198 -6.997
7 3HB ALA 1 HB3 ALA 1 -9.648 13.909 -7.784
8 H THR 2 HN THR 2 -10.856 10.868 -4.609
9 HA THR 2 HA THR 2 -8.179 9.935 -3.869
10 HB THR 2 HB THR 2 -10.688 9.711 -2.200
11 HG1 THR 2 HG1 THR 2 -9.224 11.721 -1.322
12 1HG2 THR 2 HG21 THR 2 -8.301 10.195 -0.719
13 2HG2 THR 2 HG22 THR 2 -7.990 8.889 -1.863
14 3HG2 THR 2 HG23 THR 2 -9.323 8.757 -0.717
15 H CYS 3 HN CYS 3 -7.714 7.984 -4.709
16 HA CYS 3 HA CYS 3 -9.924 6.055 -4.924
17 1HB CYS 3 HB2 CYS 3 -7.461 6.357 -6.651
18 2HB CYS 3 HB1 CYS 3 -8.727 5.146 -6.872
19 H LYS 4 HN LYS 4 -9.759 4.095 -4.096
20 HA LYS 4 HA LYS 4 -7.202 3.260 -2.870
21 1HB LYS 4 HB2 LYS 4 -8.999 3.995 -1.237
22 2HB LYS 4 HB1 LYS 4 -9.986 2.668 -1.822
23 1HG LYS 4 HG2 LYS 4 -7.269 2.285 -0.581
24 2HG LYS 4 HG1 LYS 4 -8.769 2.271 0.341
25 1HD LYS 4 HD2 LYS 4 -8.064 0.389 -1.916
26 2HD LYS 4 HD1 LYS 4 -8.005 0.002 -0.198
27 1HE LYS 4 HE2 LYS 4 -10.397 0.285 -0.010
28 2HE LYS 4 HE1 LYS 4 -10.497 0.832 -1.683
29 1HZ LYS 4 HZ1 LYS 4 -9.598 -1.883 -0.832
30 2HZ LYS 4 HZ2 LYS 4 -9.804 -1.346 -2.424
31 3HZ LYS 4 HZ3 LYS 4 -11.146 -1.505 -1.411
32 H ALA 5 HN ALA 5 -6.508 1.318 -3.415
33 HA ALA 5 HA ALA 5 -8.260 -0.808 -4.227
34 1HB ALA 5 HB1 ALA 5 -7.465 0.887 -6.264
35 2HB ALA 5 HB2 ALA 5 -8.029 -0.772 -6.457
36 3HB ALA 5 HB3 ALA 5 -6.301 -0.435 -6.350
37 H GLU 6 HN GLU 6 -7.353 -2.643 -3.517
38 HA GLU 6 HA GLU 6 -4.842 -2.617 -2.249
39 1HB GLU 6 HB2 GLU 6 -6.530 -4.970 -3.130
40 2HB GLU 6 HB1 GLU 6 -5.107 -5.094 -2.125
41 1HG GLU 6 HG2 GLU 6 -6.996 -5.220 -0.707
42 2HG GLU 6 HG1 GLU 6 -6.221 -3.666 -0.436
43 H CYS 7 HN CYS 7 -2.877 -3.185 -2.914
44 HA CYS 7 HA CYS 7 -2.163 -2.960 -5.588
45 1HB CYS 7 HB2 CYS 7 -0.611 -2.766 -3.608
46 2HB CYS 7 HB1 CYS 7 -0.582 -4.526 -3.539
47 HA PRO 8 HA PRO 8 -3.676 -6.764 -7.340
48 1HB PRO 8 HB2 PRO 8 -1.595 -6.149 -9.377
49 2HB PRO 8 HB1 PRO 8 -3.314 -6.493 -9.593
50 1HG PRO 8 HG2 PRO 8 -2.387 -4.009 -9.829
51 2HG PRO 8 HG1 PRO 8 -3.951 -4.329 -9.055
52 1HD PRO 8 HD2 PRO 8 -1.321 -3.649 -7.811
53 2HD PRO 8 HD1 PRO 8 -2.957 -3.153 -7.334
54 H THR 9 HN THR 9 -0.200 -6.087 -7.290
55 HA THR 9 HA THR 9 0.435 -8.914 -7.245
56 HB THR 9 HB THR 9 2.831 -7.908 -6.963
57 HG1 THR 9 HG1 THR 9 2.052 -5.760 -6.513
58 1HG2 THR 9 HG21 THR 9 1.793 -7.119 -9.602
59 2HG2 THR 9 HG22 THR 9 1.392 -8.762 -9.100
60 3HG2 THR 9 HG23 THR 9 3.078 -8.252 -9.180
61 H TRP 10 HN TRP 10 -1.060 -8.489 -5.098
62 HA TRP 10 HA TRP 10 0.838 -8.808 -2.912
63 1HB TRP 10 HB2 TRP 10 0.192 -6.404 -2.903
64 2HB TRP 10 HB1 TRP 10 -1.494 -6.885 -2.735
65 HD1 TRP 10 HD1 TRP 10 -2.267 -7.858 -0.361
66 HE1 TRP 10 HE1 TRP 10 -1.206 -7.700 1.993
67 HE3 TRP 10 HE3 TRP 10 2.399 -6.251 -1.683
68 HZ2 TRP 10 HZ2 TRP 10 1.283 -6.954 3.128
69 HZ3 TRP 10 HZ3 TRP 10 4.048 -5.817 0.086
70 HH2 TRP 10 HH2 TRP 10 3.501 -6.166 2.438
71 H ASP 11 HN ASP 11 0.300 -10.508 -1.748
72 HA ASP 11 HA ASP 11 -2.479 -11.182 -1.251
73 1HB ASP 11 HB2 ASP 11 -2.030 -13.590 -1.928
74 2HB ASP 11 HB1 ASP 11 -2.181 -12.442 -3.254
75 H SER 12 HN SER 12 0.129 -10.390 0.116
76 HA SER 12 HA SER 12 0.230 -12.622 2.024
77 1HB SER 12 HB2 SER 12 2.350 -12.028 0.737
78 2HB SER 12 HB1 SER 12 2.375 -10.526 1.660
79 HG SER 12 HG SER 12 2.969 -13.103 2.444
80 H VAL 13 HN VAL 13 1.358 -11.508 4.166
81 HA VAL 13 HA VAL 13 -0.744 -9.750 5.150
82 HB VAL 13 HB VAL 13 1.489 -11.167 6.617
83 1HG1 VAL 13 HG11 VAL 13 0.333 -8.967 7.551
84 2HG1 VAL 13 HG12 VAL 13 0.755 -10.323 8.597
85 3HG1 VAL 13 HG13 VAL 13 -0.903 -10.130 8.029
86 1HG2 VAL 13 HG21 VAL 13 -0.715 -12.296 5.491
87 2HG2 VAL 13 HG22 VAL 13 -1.295 -11.935 7.117
88 3HG2 VAL 13 HG23 VAL 13 0.139 -12.937 6.895
89 H CYS 14 HN CYS 14 -0.483 -7.628 5.249
90 HA CYS 14 HA CYS 14 2.096 -6.411 4.825
91 1HB CYS 14 HB2 CYS 14 -0.097 -5.532 3.908
92 2HB CYS 14 HB1 CYS 14 -0.511 -5.058 5.549
93 H ILE 15 HN ILE 15 3.494 -6.054 6.431
94 HA ILE 15 HA ILE 15 2.495 -5.999 9.184
95 HB ILE 15 HB ILE 15 5.343 -6.244 8.193
96 1HG1 ILE 15 HG12 ILE 15 3.482 -8.364 9.297
97 2HG1 ILE 15 HG11 ILE 15 3.909 -8.181 7.599
98 1HG2 ILE 15 HG21 ILE 15 4.226 -5.731 10.797
99 2HG2 ILE 15 HG22 ILE 15 5.915 -5.774 10.290
100 3HG2 ILE 15 HG23 ILE 15 5.105 -7.260 10.787
101 1HD1 ILE 15 HD11 ILE 15 5.382 -9.424 9.784
102 2HD1 ILE 15 HD12 ILE 15 6.358 -8.342 8.789
103 3HD1 ILE 15 HD13 ILE 15 5.491 -9.684 8.043
104 H ASN 16 HN ASN 16 4.683 -4.218 7.043
105 HA ASN 16 HA ASN 16 4.210 -1.818 8.672
106 1HB ASN 16 HB2 ASN 16 6.486 -2.626 9.066
107 2HB ASN 16 HB1 ASN 16 6.795 -2.670 7.336
108 1HD2 ASN 16 HD21 ASN 16 8.376 -1.206 7.138
109 2HD2 ASN 16 HD22 ASN 16 8.258 0.450 7.617
110 H LYS 17 HN LYS 17 4.605 0.219 7.417
111 HA LYS 17 HA LYS 17 2.993 0.293 5.133
112 1HB LYS 17 HB2 LYS 17 5.008 2.292 6.166
113 2HB LYS 17 HB1 LYS 17 3.898 2.620 4.844
114 1HG LYS 17 HG2 LYS 17 2.926 1.763 7.547
115 2HG LYS 17 HG1 LYS 17 3.264 3.450 7.166
116 1HD LYS 17 HD2 LYS 17 1.490 1.865 5.358
117 2HD LYS 17 HD1 LYS 17 0.847 2.474 6.883
118 1HE LYS 17 HE2 LYS 17 0.318 4.160 5.368
119 2HE LYS 17 HE1 LYS 17 1.791 4.749 6.131
120 1HZ LYS 17 HZ1 LYS 17 1.467 4.770 3.531
121 2HZ LYS 17 HZ2 LYS 17 2.052 3.187 3.670
122 3HZ LYS 17 HZ3 LYS 17 2.986 4.484 4.227
123 H LYS 18 HN LYS 18 6.517 0.095 5.429
124 HA LYS 18 HA LYS 18 7.318 0.782 2.914
125 1HB LYS 18 HB2 LYS 18 8.901 0.249 4.680
126 2HB LYS 18 HB1 LYS 18 8.467 -1.452 4.585
127 1HG LYS 18 HG2 LYS 18 10.573 -1.032 3.454
128 2HG LYS 18 HG1 LYS 18 9.342 -1.553 2.303
129 1HD LYS 18 HD2 LYS 18 8.951 0.841 1.734
130 2HD LYS 18 HD1 LYS 18 10.305 1.267 2.782
131 1HE LYS 18 HE2 LYS 18 10.456 -0.534 0.365
132 2HE LYS 18 HE1 LYS 18 10.956 1.156 0.412
133 1HZ LYS 18 HZ1 LYS 18 12.483 0.405 2.296
134 2HZ LYS 18 HZ2 LYS 18 12.912 -0.030 0.719
135 3HZ LYS 18 HZ3 LYS 18 12.197 -1.169 1.744
136 HA PRO 19 HA PRO 19 6.817 -3.859 1.219
137 1HB PRO 19 HB2 PRO 19 4.468 -4.449 2.988
138 2HB PRO 19 HB1 PRO 19 5.636 -5.574 2.290
139 1HG PRO 19 HG2 PRO 19 5.850 -4.902 4.826
140 2HG PRO 19 HG1 PRO 19 7.309 -4.959 3.816
141 1HD PRO 19 HD2 PRO 19 5.763 -2.590 4.783
142 2HD PRO 19 HD1 PRO 19 7.516 -2.791 4.590
143 H CYS 20 HN CYS 20 3.947 -2.295 2.573
144 HA CYS 20 HA CYS 20 2.307 -2.708 0.314
145 1HB CYS 20 HB2 CYS 20 1.550 -2.250 2.683
146 2HB CYS 20 HB1 CYS 20 1.975 -0.563 2.417
147 H VAL 21 HN VAL 21 4.015 0.197 1.495
148 HA VAL 21 HA VAL 21 3.281 1.934 -0.553
149 HB VAL 21 HB VAL 21 5.832 1.865 1.073
150 1HG1 VAL 21 HG11 VAL 21 4.814 3.951 -0.847
151 2HG1 VAL 21 HG12 VAL 21 6.368 3.117 -0.876
152 3HG1 VAL 21 HG13 VAL 21 6.018 4.286 0.397
153 1HG2 VAL 21 HG21 VAL 21 4.811 3.366 2.524
154 2HG2 VAL 21 HG22 VAL 21 3.509 2.243 2.132
155 3HG2 VAL 21 HG23 VAL 21 3.580 3.820 1.346
156 H ALA 22 HN ALA 22 5.941 -0.401 -0.407
157 HA ALA 22 HA ALA 22 7.220 0.339 -2.801
158 1HB ALA 22 HB1 ALA 22 7.154 -2.529 -2.029
159 2HB ALA 22 HB2 ALA 22 7.856 -1.383 -0.888
160 3HB ALA 22 HB3 ALA 22 8.514 -1.520 -2.519
161 H CYS 23 HN CYS 23 4.712 -2.108 -2.168
162 HA CYS 23 HA CYS 23 4.416 -2.984 -4.828
163 1HB CYS 23 HB2 CYS 23 3.460 -3.957 -2.597
164 2HB CYS 23 HB1 CYS 23 2.108 -2.876 -2.902
165 H CYS 24 HN CYS 24 2.719 -0.513 -2.950
166 HA CYS 24 HA CYS 24 0.943 0.303 -4.968
167 1HB CYS 24 HB2 CYS 24 2.082 1.901 -2.668
168 2HB CYS 24 HB1 CYS 24 0.675 2.351 -3.621
169 H LYS 25 HN LYS 25 4.268 1.268 -4.237
170 HA LYS 25 HA LYS 25 4.391 3.532 -5.894
171 1HB LYS 25 HB2 LYS 25 6.490 1.601 -4.935
172 2HB LYS 25 HB1 LYS 25 6.900 2.903 -6.038
173 1HG LYS 25 HG2 LYS 25 5.606 3.332 -3.355
174 2HG LYS 25 HG1 LYS 25 7.347 3.362 -3.625
175 1HD LYS 25 HD2 LYS 25 6.896 5.592 -3.816
176 2HD LYS 25 HD1 LYS 25 6.665 5.106 -5.496
177 1HE LYS 25 HE2 LYS 25 4.848 6.541 -4.788
178 2HE LYS 25 HE1 LYS 25 4.248 4.910 -5.085
179 1HZ LYS 25 HZ1 LYS 25 3.932 4.527 -2.854
180 2HZ LYS 25 HZ2 LYS 25 3.528 6.168 -2.961
181 3HZ LYS 25 HZ3 LYS 25 5.043 5.705 -2.365
182 H LYS 26 HN LYS 26 5.308 0.146 -6.582
183 HA LYS 26 HA LYS 26 5.887 0.693 -9.307
184 1HB LYS 26 HB2 LYS 26 5.823 -1.816 -9.581
185 2HB LYS 26 HB1 LYS 26 6.968 -1.198 -8.405
186 1HG LYS 26 HG2 LYS 26 6.089 -2.995 -7.296
187 2HG LYS 26 HG1 LYS 26 5.067 -1.689 -6.698
188 1HD LYS 26 HD2 LYS 26 3.680 -3.573 -7.248
189 2HD LYS 26 HD1 LYS 26 3.382 -2.288 -8.419
190 1HE LYS 26 HE2 LYS 26 4.808 -3.400 -10.037
191 2HE LYS 26 HE1 LYS 26 5.197 -4.655 -8.860
192 1HZ LYS 26 HZ1 LYS 26 2.804 -5.214 -8.801
193 2HZ LYS 26 HZ2 LYS 26 3.512 -5.464 -10.321
194 3HZ LYS 26 HZ3 LYS 26 2.540 -4.106 -10.057
195 H ALA 27 HN ALA 27 2.955 0.285 -7.634
196 HA ALA 27 HA ALA 27 1.488 -0.444 -10.058
197 1HB ALA 27 HB1 ALA 27 1.062 -0.811 -7.253
198 2HB ALA 27 HB2 ALA 27 0.192 -1.517 -8.614
199 3HB ALA 27 HB3 ALA 27 -0.314 0.039 -7.955
200 H LYS 28 HN LYS 28 2.776 2.284 -9.050
201 HA LYS 28 HA LYS 28 2.478 4.476 -9.472
202 1HB LYS 28 HB2 LYS 28 1.844 3.794 -11.705
203 2HB LYS 28 HB1 LYS 28 0.198 3.476 -11.189
204 1HG LYS 28 HG2 LYS 28 0.535 5.588 -12.492
205 2HG LYS 28 HG1 LYS 28 -0.267 5.786 -10.934
206 1HD LYS 28 HD2 LYS 28 2.182 6.237 -10.091
207 2HD LYS 28 HD1 LYS 28 2.467 6.625 -11.789
208 1HE LYS 28 HE2 LYS 28 1.892 8.642 -10.579
209 2HE LYS 28 HE1 LYS 28 0.599 8.237 -11.707
210 1HZ LYS 28 HZ1 LYS 28 0.002 6.980 -9.294
211 2HZ LYS 28 HZ2 LYS 28 -0.812 8.287 -10.004
212 3HZ LYS 28 HZ3 LYS 28 0.447 8.567 -8.910
213 H PHE 29 HN PHE 29 1.390 3.463 -7.074
214 HA PHE 29 HA PHE 29 -0.955 5.212 -6.728
215 1HB PHE 29 HB2 PHE 29 -0.057 2.810 -5.150
216 2HB PHE 29 HB1 PHE 29 -1.232 3.963 -4.518
217 HD1 PHE 29 HD1 PHE 29 -3.504 3.871 -5.176
218 HD2 PHE 29 HD2 PHE 29 -0.600 1.550 -7.251
219 HE1 PHE 29 HE1 PHE 29 -5.302 2.648 -6.318
220 HE2 PHE 29 HE2 PHE 29 -2.399 0.330 -8.402
221 HZ PHE 29 HZ PHE 29 -4.752 0.877 -7.936
222 H SER 30 HN SER 30 -0.979 6.719 -5.085
223 HA SER 30 HA SER 30 1.399 8.060 -4.572
224 1HB SER 30 HB2 SER 30 -1.078 8.293 -2.871
225 2HB SER 30 HB1 SER 30 0.089 9.553 -3.282
226 HG SER 30 HG SER 30 -1.212 9.977 -4.877
227 H ASP 31 HN ASP 31 -0.516 6.015 -2.375
228 HA ASP 31 HA ASP 31 1.869 5.179 -1.000
229 1HB ASP 31 HB2 ASP 31 1.524 7.305 0.146
230 2HB ASP 31 HB1 ASP 31 -0.153 6.885 0.478
231 H GLY 32 HN GLY 32 1.492 3.456 0.479
232 1HA GLY 32 HA2 GLY 32 -1.156 2.207 0.146
233 2HA GLY 32 HA1 GLY 32 0.344 1.293 0.075
234 H HIS 33 HN HIS 33 -2.083 1.265 1.866
235 HA HIS 33 HA HIS 33 -0.566 1.223 4.379
236 1HB HIS 33 HB2 HIS 33 -2.544 2.082 5.583
237 2HB HIS 33 HB1 HIS 33 -1.910 3.242 4.428
238 HD1 HIS 33 HD1 HIS 33 -4.883 1.092 5.127
239 HD2 HIS 33 HD2 HIS 33 -3.624 3.807 2.248
240 HE1 HIS 33 HE1 HIS 33 -6.919 1.618 3.753
241 H CYS 34 HN CYS 34 -0.855 -0.513 5.606
242 HA CYS 34 HA CYS 34 -2.077 -2.822 4.534
243 1HB CYS 34 HB2 CYS 34 -1.422 -2.514 7.451
244 2HB CYS 34 HB1 CYS 34 -1.284 -3.944 6.437
245 H SER 35 HN SER 35 -4.047 -3.778 4.948
246 HA SER 35 HA SER 35 -6.021 -2.113 6.266
247 1HB SER 35 HB2 SER 35 -7.611 -3.922 5.448
248 2HB SER 35 HB1 SER 35 -6.760 -3.013 4.199
249 HG SER 35 HG SER 35 -5.569 -4.725 3.718
250 H LYS 36 HN LYS 36 -7.750 -4.276 7.040
251 HA LYS 36 HA LYS 36 -6.274 -5.359 9.342
252 1HB LYS 36 HB2 LYS 36 -7.639 -3.568 10.168
253 2HB LYS 36 HB1 LYS 36 -9.044 -4.160 9.291
254 1HG LYS 36 HG2 LYS 36 -9.114 -6.138 10.701
255 2HG LYS 36 HG1 LYS 36 -7.677 -5.586 11.564
256 1HD LYS 36 HD2 LYS 36 -8.862 -3.664 12.407
257 2HD LYS 36 HD1 LYS 36 -10.276 -4.060 11.428
258 1HE LYS 36 HE2 LYS 36 -10.568 -4.718 13.776
259 2HE LYS 36 HE1 LYS 36 -10.611 -6.105 12.688
260 1HZ LYS 36 HZ1 LYS 36 -8.226 -5.260 14.242
261 2HZ LYS 36 HZ2 LYS 36 -8.368 -6.652 13.291
262 3HZ LYS 36 HZ3 LYS 36 -9.285 -6.496 14.703
263 H ILE 37 HN ILE 37 -8.904 -5.812 7.054
264 HA ILE 37 HA ILE 37 -10.003 -8.172 7.962
265 HB ILE 37 HB ILE 37 -9.593 -7.414 5.070
266 1HG1 ILE 37 HG12 ILE 37 -11.919 -6.783 6.900
267 2HG1 ILE 37 HG11 ILE 37 -10.674 -5.630 6.429
268 1HG2 ILE 37 HG21 ILE 37 -10.815 -9.187 4.508
269 2HG2 ILE 37 HG22 ILE 37 -12.049 -8.793 5.706
270 3HG2 ILE 37 HG23 ILE 37 -10.640 -9.746 6.172
271 1HD1 ILE 37 HD11 ILE 37 -11.602 -6.640 4.026
272 2HD1 ILE 37 HD12 ILE 37 -11.999 -5.078 4.742
273 3HD1 ILE 37 HD13 ILE 37 -13.050 -6.467 5.019
274 H LEU 38 HN LEU 38 -7.410 -7.875 5.530
275 HA LEU 38 HA LEU 38 -6.375 -10.472 6.414
276 1HB LEU 38 HB2 LEU 38 -7.878 -10.733 4.396
277 2HB LEU 38 HB1 LEU 38 -6.730 -9.759 3.505
278 HG LEU 38 HG LEU 38 -4.976 -11.453 4.071
279 1HD1 LEU 38 HD11 LEU 38 -7.298 -13.218 4.804
280 2HD1 LEU 38 HD12 LEU 38 -6.272 -12.416 5.994
281 3HD1 LEU 38 HD13 LEU 38 -5.578 -13.597 4.883
282 1HD2 LEU 38 HD21 LEU 38 -5.372 -12.475 2.107
283 2HD2 LEU 38 HD22 LEU 38 -6.733 -11.359 2.004
284 3HD2 LEU 38 HD23 LEU 38 -6.983 -13.003 2.590
285 H ARG 39 HN ARG 39 -5.704 -7.600 6.576
286 HA ARG 39 HA ARG 39 -3.942 -6.180 6.457
287 1HB ARG 39 HB2 ARG 39 -2.423 -8.785 6.307
288 2HB ARG 39 HB1 ARG 39 -1.687 -7.215 6.593
289 1HG ARG 39 HG2 ARG 39 -3.705 -8.565 8.367
290 2HG ARG 39 HG1 ARG 39 -1.965 -8.465 8.647
291 1HD ARG 39 HD2 ARG 39 -3.727 -6.041 8.352
292 2HD ARG 39 HD1 ARG 39 -3.389 -6.798 9.908
293 HE ARG 39 HE ARG 39 -0.941 -6.312 8.650
294 1HH1 ARG 39 HH11 ARG 39 -3.617 -4.407 9.863
295 2HH1 ARG 39 HH12 ARG 39 -2.612 -3.100 10.392
296 1HH2 ARG 39 HH21 ARG 39 0.383 -4.592 9.320
297 2HH2 ARG 39 HH22 ARG 39 -0.323 -3.204 10.082
298 H ARG 40 HN ARG 40 -5.237 -6.976 3.944
299 HA ARG 40 HA ARG 40 -3.246 -7.241 1.942
300 1HB ARG 40 HB2 ARG 40 -6.145 -6.458 1.885
301 2HB ARG 40 HB1 ARG 40 -5.153 -6.335 0.436
302 1HG ARG 40 HG2 ARG 40 -4.570 -8.739 0.716
303 2HG ARG 40 HG1 ARG 40 -5.735 -8.813 2.037
304 1HD ARG 40 HD2 ARG 40 -7.549 -8.345 0.579
305 2HD ARG 40 HD1 ARG 40 -6.461 -7.905 -0.739
306 HE ARG 40 HE ARG 40 -7.327 -10.532 -0.029
307 1HH1 ARG 40 HH11 ARG 40 -4.748 -8.703 -1.520
308 2HH1 ARG 40 HH12 ARG 40 -4.043 -10.069 -2.324
309 1HH2 ARG 40 HH21 ARG 40 -6.407 -12.361 -1.094
310 2HH2 ARG 40 HH22 ARG 40 -4.996 -12.154 -2.079
311 H CYS 41 HN CYS 41 -2.304 -5.737 0.651
312 HA CYS 41 HA CYS 41 -1.778 -3.218 1.841
313 1HB CYS 41 HB2 CYS 41 -0.043 -4.391 0.641
314 2HB CYS 41 HB1 CYS 41 -1.011 -4.407 -0.828
315 H LEU 42 HN LEU 42 -3.493 -1.819 1.874
316 HA LEU 42 HA LEU 42 -5.092 -1.418 -0.509
317 1HB LEU 42 HB2 LEU 42 -5.136 -0.387 2.292
318 2HB LEU 42 HB1 LEU 42 -5.892 0.601 1.055
319 HG LEU 42 HG LEU 42 -7.371 -1.298 0.477
320 1HD1 LEU 42 HD11 LEU 42 -7.311 -3.341 1.481
321 2HD1 LEU 42 HD12 LEU 42 -6.567 -2.720 2.955
322 3HD1 LEU 42 HD13 LEU 42 -5.593 -2.943 1.502
323 1HD2 LEU 42 HD21 LEU 42 -7.372 0.214 2.926
324 2HD2 LEU 42 HD22 LEU 42 -8.180 -1.339 3.146
325 3HD2 LEU 42 HD23 LEU 42 -8.720 -0.235 1.882
326 H CYS 43 HN CYS 43 -4.296 -0.270 -2.116
327 HA CYS 43 HA CYS 43 -2.304 1.785 -1.567
328 1HB CYS 43 HB2 CYS 43 -3.234 0.508 -4.143
329 2HB CYS 43 HB1 CYS 43 -2.015 1.771 -4.048
330 H THR 44 HN THR 44 -2.645 3.905 -1.892
331 HA THR 44 HA THR 44 -5.287 4.690 -2.927
332 HB THR 44 HB THR 44 -4.887 6.820 -1.533
333 HG1 THR 44 HG1 THR 44 -2.727 5.317 -0.811
334 1HG2 THR 44 HG21 THR 44 -6.376 5.985 -0.074
335 2HG2 THR 44 HG22 THR 44 -5.297 4.681 0.423
336 3HG2 THR 44 HG23 THR 44 -6.271 4.511 -1.037
337 H LYS 45 HN LYS 45 -5.360 6.252 -4.479
338 HA LYS 45 HA LYS 45 -3.077 7.888 -5.115
339 1HB LYS 45 HB2 LYS 45 -2.376 6.965 -7.100
340 2HB LYS 45 HB1 LYS 45 -2.731 5.516 -6.174
341 1HG LYS 45 HG2 LYS 45 -4.863 5.280 -7.306
342 2HG LYS 45 HG1 LYS 45 -4.579 6.782 -8.191
343 1HD LYS 45 HD2 LYS 45 -2.378 5.573 -8.931
344 2HD LYS 45 HD1 LYS 45 -3.273 4.114 -8.501
345 1HE LYS 45 HE2 LYS 45 -3.596 4.516 -10.832
346 2HE LYS 45 HE1 LYS 45 -5.107 4.887 -10.003
347 1HZ LYS 45 HZ1 LYS 45 -4.922 7.090 -10.446
348 2HZ LYS 45 HZ2 LYS 45 -4.037 6.516 -11.768
349 3HZ LYS 45 HZ3 LYS 45 -3.229 7.097 -10.397
350 H GLU 46 HN GLU 46 -3.492 8.931 -7.311
351 HA GLU 46 HA GLU 46 -6.019 10.269 -7.098
352 1HB GLU 46 HB2 GLU 46 -5.074 11.824 -8.666
353 2HB GLU 46 HB1 GLU 46 -3.849 11.421 -7.476
354 1HG GLU 46 HG2 GLU 46 -4.022 10.456 -10.320
355 2HG GLU 46 HG1 GLU 46 -2.828 11.542 -9.631
356 H CYS 47 HN CYS 47 -7.766 10.057 -8.383
357 HA CYS 47 HA CYS 47 -7.759 9.388 -11.055
358 1HB CYS 47 HB2 CYS 47 -8.233 7.167 -11.305
359 2HB CYS 47 HB1 CYS 47 -7.186 7.081 -9.901
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 -8.288 14.603 -8.664
2 2H ALA 1 HT2 ALA 1 -7.493 13.252 -9.311
3 3H ALA 1 HT3 ALA 1 -6.833 14.071 -7.985
4 HA ALA 1 HA ALA 1 -9.072 13.497 -6.864
5 1HB ALA 1 HB1 ALA 1 -8.790 11.238 -8.833
6 2HB ALA 1 HB2 ALA 1 -9.978 12.533 -8.977
7 3HB ALA 1 HB3 ALA 1 -10.036 11.433 -7.600
8 H THR 2 HN THR 2 -8.908 10.744 -6.224
9 HA THR 2 HA THR 2 -6.128 10.221 -5.571
10 HB THR 2 HB THR 2 -8.195 10.421 -3.367
11 HG1 THR 2 HG1 THR 2 -6.233 12.231 -4.309
12 1HG2 THR 2 HG21 THR 2 -5.450 10.511 -2.526
13 2HG2 THR 2 HG22 THR 2 -5.724 9.075 -3.512
14 3HG2 THR 2 HG23 THR 2 -6.712 9.363 -2.079
15 H CYS 3 HN CYS 3 -6.044 8.297 -6.487
16 HA CYS 3 HA CYS 3 -8.192 6.362 -6.088
17 1HB CYS 3 HB2 CYS 3 -5.833 6.468 -7.973
18 2HB CYS 3 HB1 CYS 3 -6.893 5.068 -7.841
19 H LYS 4 HN LYS 4 -7.820 4.322 -5.196
20 HA LYS 4 HA LYS 4 -5.176 3.698 -4.217
21 1HB LYS 4 HB2 LYS 4 -5.852 3.394 -1.892
22 2HB LYS 4 HB1 LYS 4 -6.023 5.066 -2.397
23 1HG LYS 4 HG2 LYS 4 -8.424 4.774 -2.612
24 2HG LYS 4 HG1 LYS 4 -8.266 3.073 -2.163
25 1HD LYS 4 HD2 LYS 4 -7.365 3.724 0.013
26 2HD LYS 4 HD1 LYS 4 -7.499 5.426 -0.436
27 1HE LYS 4 HE2 LYS 4 -9.783 3.471 -0.172
28 2HE LYS 4 HE1 LYS 4 -9.371 4.745 0.975
29 1HZ LYS 4 HZ1 LYS 4 -9.619 5.989 -1.474
30 2HZ LYS 4 HZ2 LYS 4 -10.707 6.064 -0.181
31 3HZ LYS 4 HZ3 LYS 4 -10.918 4.907 -1.397
32 H ALA 5 HN ALA 5 -4.788 1.634 -3.977
33 HA ALA 5 HA ALA 5 -6.806 -0.392 -3.739
34 1HB ALA 5 HB1 ALA 5 -5.292 -1.032 -6.124
35 2HB ALA 5 HB2 ALA 5 -6.228 0.448 -6.340
36 3HB ALA 5 HB3 ALA 5 -7.037 -1.046 -5.868
37 H GLU 6 HN GLU 6 -5.829 -2.428 -3.241
38 HA GLU 6 HA GLU 6 -3.387 -2.228 -1.887
39 1HB GLU 6 HB2 GLU 6 -4.395 -4.893 -2.791
40 2HB GLU 6 HB1 GLU 6 -3.690 -4.427 -1.253
41 1HG GLU 6 HG2 GLU 6 -5.784 -3.093 -0.825
42 2HG GLU 6 HG1 GLU 6 -6.476 -3.898 -2.234
43 H CYS 7 HN CYS 7 -1.357 -2.920 -2.351
44 HA CYS 7 HA CYS 7 -0.403 -2.622 -4.947
45 1HB CYS 7 HB2 CYS 7 0.963 -2.442 -2.842
46 2HB CYS 7 HB1 CYS 7 0.954 -4.199 -2.744
47 HA PRO 8 HA PRO 8 -1.670 -6.343 -6.992
48 1HB PRO 8 HB2 PRO 8 0.480 -6.357 -8.792
49 2HB PRO 8 HB1 PRO 8 -1.084 -5.579 -9.042
50 1HG PRO 8 HG2 PRO 8 1.498 -4.399 -8.136
51 2HG PRO 8 HG1 PRO 8 0.231 -3.691 -9.156
52 1HD PRO 8 HD2 PRO 8 0.521 -2.969 -6.595
53 2HD PRO 8 HD1 PRO 8 -1.089 -3.121 -7.333
54 H THR 9 HN THR 9 1.761 -5.915 -6.194
55 HA THR 9 HA THR 9 2.085 -8.804 -5.975
56 HB THR 9 HB THR 9 4.496 -8.244 -5.551
57 HG1 THR 9 HG1 THR 9 3.731 -5.927 -4.962
58 1HG2 THR 9 HG21 THR 9 4.114 -8.854 -7.753
59 2HG2 THR 9 HG22 THR 9 4.814 -7.247 -7.940
60 3HG2 THR 9 HG23 THR 9 3.069 -7.467 -8.063
61 H TRP 10 HN TRP 10 0.347 -8.011 -4.098
62 HA TRP 10 HA TRP 10 1.788 -8.548 -1.653
63 1HB TRP 10 HB2 TRP 10 1.743 -5.992 -2.017
64 2HB TRP 10 HB1 TRP 10 0.019 -6.110 -1.680
65 HD1 TRP 10 HD1 TRP 10 -0.564 -7.285 0.823
66 HE1 TRP 10 HE1 TRP 10 0.656 -6.906 3.063
67 HE3 TRP 10 HE3 TRP 10 3.846 -5.433 -0.973
68 HZ2 TRP 10 HZ2 TRP 10 3.177 -5.924 3.941
69 HZ3 TRP 10 HZ3 TRP 10 5.602 -4.794 0.625
70 HH2 TRP 10 HH2 TRP 10 5.270 -5.036 3.029
71 H ASP 11 HN ASP 11 0.589 -9.706 -0.290
72 HA ASP 11 HA ASP 11 -2.309 -9.656 -0.383
73 1HB ASP 11 HB2 ASP 11 -2.458 -12.132 -0.661
74 2HB ASP 11 HB1 ASP 11 -1.851 -11.309 -2.093
75 H SER 12 HN SER 12 0.673 -10.639 1.031
76 HA SER 12 HA SER 12 -0.371 -11.964 3.298
77 1HB SER 12 HB2 SER 12 2.355 -10.715 2.938
78 2HB SER 12 HB1 SER 12 1.913 -11.979 4.086
79 HG SER 12 HG SER 12 1.228 -12.666 1.539
80 H VAL 13 HN VAL 13 0.451 -11.204 5.528
81 HA VAL 13 HA VAL 13 -0.940 -8.774 6.139
82 HB VAL 13 HB VAL 13 0.619 -10.666 7.914
83 1HG1 VAL 13 HG11 VAL 13 0.490 -9.052 9.446
84 2HG1 VAL 13 HG12 VAL 13 -1.243 -9.375 9.482
85 3HG1 VAL 13 HG13 VAL 13 -0.607 -8.088 8.457
86 1HG2 VAL 13 HG21 VAL 13 -1.135 -11.978 7.348
87 2HG2 VAL 13 HG22 VAL 13 -2.156 -10.612 6.901
88 3HG2 VAL 13 HG23 VAL 13 -1.943 -11.035 8.600
89 H CYS 14 HN CYS 14 -0.113 -6.824 6.350
90 HA CYS 14 HA CYS 14 2.672 -6.322 5.928
91 1HB CYS 14 HB2 CYS 14 1.454 -4.626 4.994
92 2HB CYS 14 HB1 CYS 14 0.203 -4.700 6.231
93 H ILE 15 HN ILE 15 4.213 -5.718 7.352
94 HA ILE 15 HA ILE 15 3.547 -5.940 10.194
95 HB ILE 15 HB ILE 15 6.271 -5.923 8.874
96 1HG1 ILE 15 HG12 ILE 15 4.668 -8.248 9.965
97 2HG1 ILE 15 HG11 ILE 15 4.880 -7.886 8.255
98 1HG2 ILE 15 HG21 ILE 15 7.188 -6.493 10.966
99 2HG2 ILE 15 HG22 ILE 15 5.604 -6.842 11.658
100 3HG2 ILE 15 HG23 ILE 15 6.063 -5.177 11.302
101 1HD1 ILE 15 HD11 ILE 15 6.435 -9.568 9.755
102 2HD1 ILE 15 HD12 ILE 15 7.399 -8.093 9.690
103 3HD1 ILE 15 HD13 ILE 15 6.873 -8.869 8.196
104 H ASN 16 HN ASN 16 5.046 -3.774 7.846
105 HA ASN 16 HA ASN 16 4.594 -1.548 9.666
106 1HB ASN 16 HB2 ASN 16 6.914 -2.236 10.109
107 2HB ASN 16 HB1 ASN 16 7.291 -2.093 8.396
108 1HD2 ASN 16 HD21 ASN 16 8.719 -0.471 8.390
109 2HD2 ASN 16 HD22 ASN 16 8.417 1.116 9.002
110 H LYS 17 HN LYS 17 4.650 0.533 8.587
111 HA LYS 17 HA LYS 17 3.296 0.499 6.126
112 1HB LYS 17 HB2 LYS 17 3.145 2.275 7.899
113 2HB LYS 17 HB1 LYS 17 4.706 2.869 7.352
114 1HG LYS 17 HG2 LYS 17 3.755 3.307 5.133
115 2HG LYS 17 HG1 LYS 17 2.186 2.738 5.704
116 1HD LYS 17 HD2 LYS 17 2.310 4.517 7.486
117 2HD LYS 17 HD1 LYS 17 3.723 5.153 6.643
118 1HE LYS 17 HE2 LYS 17 0.952 4.854 5.483
119 2HE LYS 17 HE1 LYS 17 1.686 6.362 6.023
120 1HZ LYS 17 HZ1 LYS 17 2.463 4.680 3.712
121 2HZ LYS 17 HZ2 LYS 17 3.459 5.906 4.318
122 3HZ LYS 17 HZ3 LYS 17 1.932 6.291 3.690
123 H LYS 18 HN LYS 18 6.718 0.944 6.862
124 HA LYS 18 HA LYS 18 7.613 2.105 4.529
125 1HB LYS 18 HB2 LYS 18 9.057 1.692 6.473
126 2HB LYS 18 HB1 LYS 18 9.061 -0.028 6.106
127 1HG LYS 18 HG2 LYS 18 10.171 0.417 3.982
128 2HG LYS 18 HG1 LYS 18 10.149 2.147 4.327
129 1HD LYS 18 HD2 LYS 18 11.547 1.763 6.305
130 2HD LYS 18 HD1 LYS 18 11.574 0.034 5.946
131 1HE LYS 18 HE2 LYS 18 12.671 0.498 3.808
132 2HE LYS 18 HE1 LYS 18 12.641 2.224 4.165
133 1HZ LYS 18 HZ1 LYS 18 14.130 0.132 5.654
134 2HZ LYS 18 HZ2 LYS 18 14.022 1.750 6.136
135 3HZ LYS 18 HZ3 LYS 18 14.791 1.350 4.683
136 HA PRO 19 HA PRO 19 8.241 -2.373 2.479
137 1HB PRO 19 HB2 PRO 19 5.954 -3.650 3.921
138 2HB PRO 19 HB1 PRO 19 7.446 -4.384 3.326
139 1HG PRO 19 HG2 PRO 19 7.164 -3.894 5.906
140 2HG PRO 19 HG1 PRO 19 8.710 -3.550 5.104
141 1HD PRO 19 HD2 PRO 19 6.553 -1.664 5.956
142 2HD PRO 19 HD1 PRO 19 8.315 -1.461 6.010
143 H CYS 20 HN CYS 20 5.055 -1.365 3.629
144 HA CYS 20 HA CYS 20 3.593 -2.011 1.317
145 1HB CYS 20 HB2 CYS 20 2.568 -1.577 3.518
146 2HB CYS 20 HB1 CYS 20 3.038 0.114 3.401
147 H VAL 21 HN VAL 21 5.024 1.061 2.409
148 HA VAL 21 HA VAL 21 4.254 2.638 0.228
149 HB VAL 21 HB VAL 21 6.755 2.897 1.917
150 1HG1 VAL 21 HG11 VAL 21 5.386 4.875 0.099
151 2HG1 VAL 21 HG12 VAL 21 7.001 4.195 -0.094
152 3HG1 VAL 21 HG13 VAL 21 6.659 5.287 1.248
153 1HG2 VAL 21 HG21 VAL 21 4.297 2.959 2.904
154 2HG2 VAL 21 HG22 VAL 21 4.363 4.614 2.298
155 3HG2 VAL 21 HG23 VAL 21 5.556 4.056 3.471
156 H ALA 22 HN ALA 22 7.036 0.512 0.675
157 HA ALA 22 HA ALA 22 8.448 1.252 -1.651
158 1HB ALA 22 HB1 ALA 22 9.429 -1.100 -1.422
159 2HB ALA 22 HB2 ALA 22 8.420 -1.246 0.017
160 3HB ALA 22 HB3 ALA 22 9.656 0.010 -0.070
161 H CYS 23 HN CYS 23 6.047 -1.293 -1.053
162 HA CYS 23 HA CYS 23 6.037 -2.409 -3.643
163 1HB CYS 23 HB2 CYS 23 4.950 -3.245 -1.413
164 2HB CYS 23 HB1 CYS 23 3.572 -2.282 -1.924
165 H CYS 24 HN CYS 24 4.119 0.118 -2.130
166 HA CYS 24 HA CYS 24 2.431 0.634 -4.323
167 1HB CYS 24 HB2 CYS 24 3.241 2.365 -1.988
168 2HB CYS 24 HB1 CYS 24 1.927 2.738 -3.098
169 H LYS 25 HN LYS 25 5.492 2.111 -3.307
170 HA LYS 25 HA LYS 25 5.480 4.181 -5.202
171 1HB LYS 25 HB2 LYS 25 6.980 3.941 -3.164
172 2HB LYS 25 HB1 LYS 25 7.964 2.853 -4.132
173 1HG LYS 25 HG2 LYS 25 8.777 5.212 -4.033
174 2HG LYS 25 HG1 LYS 25 8.525 4.582 -5.661
175 1HD LYS 25 HD2 LYS 25 7.692 6.893 -5.392
176 2HD LYS 25 HD1 LYS 25 6.419 5.758 -5.836
177 1HE LYS 25 HE2 LYS 25 5.588 7.246 -4.138
178 2HE LYS 25 HE1 LYS 25 5.758 5.632 -3.452
179 1HZ LYS 25 HZ1 LYS 25 6.583 7.627 -2.109
180 2HZ LYS 25 HZ2 LYS 25 7.910 7.627 -3.160
181 3HZ LYS 25 HZ3 LYS 25 7.586 6.267 -2.209
182 H LYS 26 HN LYS 26 6.875 0.900 -5.372
183 HA LYS 26 HA LYS 26 7.941 1.253 -7.983
184 1HB LYS 26 HB2 LYS 26 8.175 -1.181 -8.054
185 2HB LYS 26 HB1 LYS 26 8.740 -0.546 -6.515
186 1HG LYS 26 HG2 LYS 26 6.826 -1.324 -5.382
187 2HG LYS 26 HG1 LYS 26 5.984 -1.664 -6.892
188 1HD LYS 26 HD2 LYS 26 7.613 -3.432 -7.388
189 2HD LYS 26 HD1 LYS 26 8.428 -3.097 -5.856
190 1HE LYS 26 HE2 LYS 26 6.505 -3.754 -4.606
191 2HE LYS 26 HE1 LYS 26 5.522 -3.856 -6.064
192 1HZ LYS 26 HZ1 LYS 26 7.460 -5.745 -4.994
193 2HZ LYS 26 HZ2 LYS 26 7.410 -5.588 -6.678
194 3HZ LYS 26 HZ3 LYS 26 6.011 -6.025 -5.827
195 H ALA 27 HN ALA 27 4.789 0.430 -6.754
196 HA ALA 27 HA ALA 27 3.772 -0.505 -9.284
197 1HB ALA 27 HB1 ALA 27 1.633 0.163 -7.571
198 2HB ALA 27 HB2 ALA 27 2.903 -0.537 -6.568
199 3HB ALA 27 HB3 ALA 27 2.271 -1.438 -7.946
200 H LYS 28 HN LYS 28 4.751 2.415 -8.493
201 HA LYS 28 HA LYS 28 4.464 4.469 -9.396
202 1HB LYS 28 HB2 LYS 28 3.857 3.144 -11.447
203 2HB LYS 28 HB1 LYS 28 2.172 3.315 -10.988
204 1HG LYS 28 HG2 LYS 28 2.277 5.695 -11.270
205 2HG LYS 28 HG1 LYS 28 4.020 5.626 -11.545
206 1HD LYS 28 HD2 LYS 28 2.735 5.849 -13.645
207 2HD LYS 28 HD1 LYS 28 3.685 4.363 -13.584
208 1HE LYS 28 HE2 LYS 28 1.633 3.162 -12.834
209 2HE LYS 28 HE1 LYS 28 0.723 4.650 -13.091
210 1HZ LYS 28 HZ1 LYS 28 0.458 3.350 -15.022
211 2HZ LYS 28 HZ2 LYS 28 2.109 2.997 -15.122
212 3HZ LYS 28 HZ3 LYS 28 1.560 4.565 -15.443
213 H PHE 29 HN PHE 29 3.226 3.770 -6.940
214 HA PHE 29 HA PHE 29 0.885 5.562 -6.972
215 1HB PHE 29 HB2 PHE 29 1.524 3.260 -5.127
216 2HB PHE 29 HB1 PHE 29 0.330 4.488 -4.721
217 HD1 PHE 29 HD1 PHE 29 -1.878 4.240 -5.428
218 HD2 PHE 29 HD2 PHE 29 1.187 1.986 -7.337
219 HE1 PHE 29 HE1 PHE 29 -3.583 2.957 -6.648
220 HE2 PHE 29 HE2 PHE 29 -0.516 0.707 -8.566
221 HZ PHE 29 HZ PHE 29 -2.905 1.190 -8.221
222 H SER 30 HN SER 30 0.787 7.185 -5.413
223 HA SER 30 HA SER 30 3.289 8.308 -4.711
224 1HB SER 30 HB2 SER 30 0.693 9.250 -3.555
225 2HB SER 30 HB1 SER 30 2.070 10.196 -4.124
226 HG SER 30 HG SER 30 1.443 9.890 -6.196
227 H ASP 31 HN ASP 31 0.704 6.821 -2.796
228 HA ASP 31 HA ASP 31 2.592 6.600 -0.541
229 1HB ASP 31 HB2 ASP 31 1.161 8.417 0.070
230 2HB ASP 31 HB1 ASP 31 -0.274 7.558 -0.474
231 H GLY 32 HN GLY 32 1.928 5.012 1.061
232 1HA GLY 32 HA2 GLY 32 0.134 2.909 0.125
233 2HA GLY 32 HA1 GLY 32 1.820 2.466 0.417
234 H HIS 33 HN HIS 33 -1.050 2.221 1.763
235 HA HIS 33 HA HIS 33 0.037 2.421 4.486
236 1HB HIS 33 HB2 HIS 33 -2.215 3.234 5.254
237 2HB HIS 33 HB1 HIS 33 -1.315 4.388 4.279
238 HD1 HIS 33 HD1 HIS 33 -2.122 4.533 1.678
239 HD2 HIS 33 HD2 HIS 33 -4.722 2.676 4.344
240 HE1 HIS 33 HE1 HIS 33 -4.328 4.375 0.483
241 H CYS 34 HN CYS 34 -0.349 0.715 5.712
242 HA CYS 34 HA CYS 34 -1.594 -1.585 4.574
243 1HB CYS 34 HB2 CYS 34 -0.630 -1.173 7.408
244 2HB CYS 34 HB1 CYS 34 -0.900 -2.714 6.596
245 H SER 35 HN SER 35 -3.589 -2.295 4.792
246 HA SER 35 HA SER 35 -5.620 -0.708 5.930
247 1HB SER 35 HB2 SER 35 -5.943 -2.227 3.994
248 2HB SER 35 HB1 SER 35 -5.744 -3.609 5.069
249 HG SER 35 HG SER 35 -7.971 -2.478 4.500
250 H LYS 36 HN LYS 36 -7.244 -1.574 7.458
251 HA LYS 36 HA LYS 36 -5.917 -2.471 9.880
252 1HB LYS 36 HB2 LYS 36 -7.352 -0.589 10.170
253 2HB LYS 36 HB1 LYS 36 -8.662 -1.362 9.290
254 1HG LYS 36 HG2 LYS 36 -8.950 -2.968 11.083
255 2HG LYS 36 HG1 LYS 36 -7.601 -2.247 11.964
256 1HD LYS 36 HD2 LYS 36 -9.671 -1.428 12.890
257 2HD LYS 36 HD1 LYS 36 -8.858 -0.109 12.047
258 1HE LYS 36 HE2 LYS 36 -10.310 -0.438 10.114
259 2HE LYS 36 HE1 LYS 36 -11.109 -1.780 10.933
260 1HZ LYS 36 HZ1 LYS 36 -11.082 1.030 11.898
261 2HZ LYS 36 HZ2 LYS 36 -11.905 -0.263 12.613
262 3HZ LYS 36 HZ3 LYS 36 -12.372 0.294 11.086
263 H ILE 37 HN ILE 37 -8.037 -3.668 7.431
264 HA ILE 37 HA ILE 37 -9.209 -5.791 8.899
265 HB ILE 37 HB ILE 37 -8.795 -5.830 5.927
266 1HG1 ILE 37 HG12 ILE 37 -11.049 -4.400 7.340
267 2HG1 ILE 37 HG11 ILE 37 -9.636 -3.577 6.685
268 1HG2 ILE 37 HG21 ILE 37 -9.933 -7.740 6.280
269 2HG2 ILE 37 HG22 ILE 37 -11.332 -6.675 6.418
270 3HG2 ILE 37 HG23 ILE 37 -10.495 -7.225 7.870
271 1HD1 ILE 37 HD11 ILE 37 -11.998 -4.618 5.331
272 2HD1 ILE 37 HD12 ILE 37 -10.477 -5.053 4.549
273 3HD1 ILE 37 HD13 ILE 37 -10.868 -3.356 4.840
274 H LEU 38 HN LEU 38 -7.752 -6.930 6.017
275 HA LEU 38 HA LEU 38 -6.348 -8.983 7.462
276 1HB LEU 38 HB2 LEU 38 -7.574 -9.283 5.268
277 2HB LEU 38 HB1 LEU 38 -6.247 -8.436 4.502
278 HG LEU 38 HG LEU 38 -4.694 -10.161 5.349
279 1HD1 LEU 38 HD11 LEU 38 -5.529 -12.227 6.261
280 2HD1 LEU 38 HD12 LEU 38 -7.193 -11.658 6.123
281 3HD1 LEU 38 HD13 LEU 38 -6.088 -10.885 7.259
282 1HD2 LEU 38 HD21 LEU 38 -6.980 -11.120 3.633
283 2HD2 LEU 38 HD22 LEU 38 -5.428 -11.943 3.790
284 3HD2 LEU 38 HD23 LEU 38 -5.502 -10.327 3.087
285 H ARG 39 HN ARG 39 -5.574 -6.018 7.294
286 HA ARG 39 HA ARG 39 -3.717 -4.737 7.399
287 1HB ARG 39 HB2 ARG 39 -3.153 -6.721 8.940
288 2HB ARG 39 HB1 ARG 39 -2.117 -7.274 7.634
289 1HG ARG 39 HG2 ARG 39 -0.888 -6.030 9.339
290 2HG ARG 39 HG1 ARG 39 -0.816 -5.245 7.759
291 1HD ARG 39 HD2 ARG 39 -2.531 -3.672 8.432
292 2HD ARG 39 HD1 ARG 39 -2.705 -4.490 9.985
293 HE ARG 39 HE ARG 39 -0.054 -3.794 9.837
294 1HH1 ARG 39 HH11 ARG 39 -3.081 -2.064 9.613
295 2HH1 ARG 39 HH12 ARG 39 -2.474 -0.627 10.366
296 1HH2 ARG 39 HH21 ARG 39 0.775 -1.899 10.828
297 2HH2 ARG 39 HH22 ARG 39 -0.264 -0.533 11.064
298 H ARG 40 HN ARG 40 -4.655 -5.748 4.833
299 HA ARG 40 HA ARG 40 -2.417 -6.321 3.169
300 1HB ARG 40 HB2 ARG 40 -5.273 -5.553 2.661
301 2HB ARG 40 HB1 ARG 40 -4.118 -5.656 1.337
302 1HG ARG 40 HG2 ARG 40 -3.734 -7.960 1.737
303 2HG ARG 40 HG1 ARG 40 -4.620 -7.906 3.261
304 1HD ARG 40 HD2 ARG 40 -6.682 -7.773 2.201
305 2HD ARG 40 HD1 ARG 40 -5.977 -7.198 0.689
306 HE ARG 40 HE ARG 40 -6.221 -9.934 1.576
307 1HH1 ARG 40 HH11 ARG 40 -4.965 -7.702 -0.787
308 2HH1 ARG 40 HH12 ARG 40 -4.215 -8.937 -1.760
309 1HH2 ARG 40 HH21 ARG 40 -5.273 -11.596 0.278
310 2HH2 ARG 40 HH22 ARG 40 -4.409 -11.161 -1.158
311 H CYS 41 HN CYS 41 -1.355 -4.986 1.709
312 HA CYS 41 HA CYS 41 -1.011 -2.281 2.592
313 1HB CYS 41 HB2 CYS 41 0.926 -3.538 1.928
314 2HB CYS 41 HB1 CYS 41 0.226 -3.883 0.352
315 H LEU 42 HN LEU 42 -2.478 -0.777 2.046
316 HA LEU 42 HA LEU 42 -3.719 -0.834 -0.603
317 1HB LEU 42 HB2 LEU 42 -4.339 0.491 1.986
318 2HB LEU 42 HB1 LEU 42 -4.829 1.330 0.526
319 HG LEU 42 HG LEU 42 -6.121 -0.690 -0.146
320 1HD1 LEU 42 HD11 LEU 42 -4.714 -2.253 1.271
321 2HD1 LEU 42 HD12 LEU 42 -6.458 -2.515 1.293
322 3HD1 LEU 42 HD13 LEU 42 -5.672 -1.701 2.645
323 1HD2 LEU 42 HD21 LEU 42 -7.879 0.245 0.834
324 2HD2 LEU 42 HD22 LEU 42 -6.749 1.264 1.726
325 3HD2 LEU 42 HD23 LEU 42 -7.327 -0.242 2.437
326 H CYS 43 HN CYS 43 -2.908 0.333 -2.201
327 HA CYS 43 HA CYS 43 -0.920 2.379 -1.585
328 1HB CYS 43 HB2 CYS 43 -1.664 1.030 -4.183
329 2HB CYS 43 HB1 CYS 43 -0.350 2.186 -3.977
330 H THR 44 HN THR 44 -1.271 4.476 -1.843
331 HA THR 44 HA THR 44 -3.757 5.337 -3.170
332 HB THR 44 HB THR 44 -2.618 7.458 -1.676
333 HG1 THR 44 HG1 THR 44 -1.898 6.525 0.102
334 1HG2 THR 44 HG21 THR 44 -5.015 7.053 -2.200
335 2HG2 THR 44 HG22 THR 44 -4.719 7.424 -0.501
336 3HG2 THR 44 HG23 THR 44 -5.018 5.759 -1.001
337 H LYS 45 HN LYS 45 -3.671 7.057 -4.617
338 HA LYS 45 HA LYS 45 -1.230 8.457 -5.163
339 1HB LYS 45 HB2 LYS 45 -0.812 7.671 -7.388
340 2HB LYS 45 HB1 LYS 45 -0.850 6.269 -6.329
341 1HG LYS 45 HG2 LYS 45 -3.026 5.658 -7.094
342 2HG LYS 45 HG1 LYS 45 -3.196 7.170 -7.984
343 1HD LYS 45 HD2 LYS 45 -1.010 5.196 -8.594
344 2HD LYS 45 HD1 LYS 45 -2.612 5.067 -9.319
345 1HE LYS 45 HE2 LYS 45 -1.373 6.248 -10.905
346 2HE LYS 45 HE1 LYS 45 -2.266 7.502 -10.049
347 1HZ LYS 45 HZ1 LYS 45 0.196 7.881 -10.504
348 2HZ LYS 45 HZ2 LYS 45 0.486 6.781 -9.251
349 3HZ LYS 45 HZ3 LYS 45 -0.369 8.217 -8.945
350 H GLU 46 HN GLU 46 -1.482 9.835 -7.143
351 HA GLU 46 HA GLU 46 -4.050 11.134 -7.031
352 1HB GLU 46 HB2 GLU 46 -2.802 12.542 -8.927
353 2HB GLU 46 HB1 GLU 46 -2.555 12.819 -7.216
354 1HG GLU 46 HG2 GLU 46 -0.518 12.767 -8.749
355 2HG GLU 46 HG1 GLU 46 -0.438 11.882 -7.236
356 H CYS 47 HN CYS 47 -5.369 11.574 -8.846
357 HA CYS 47 HA CYS 47 -4.976 10.358 -11.372
358 1HB CYS 47 HB2 CYS 47 -6.851 8.731 -11.257
359 2HB CYS 47 HB1 CYS 47 -5.503 8.288 -10.218
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 -11.778 11.059 -11.539
2 2H ALA 1 HT2 ALA 1 -10.856 9.650 -11.414
3 3H ALA 1 HT3 ALA 1 -10.139 11.152 -11.119
4 HA ALA 1 HA ALA 1 -11.586 11.465 -9.189
5 1HB ALA 1 HB1 ALA 1 -12.957 9.284 -10.386
6 2HB ALA 1 HB2 ALA 1 -13.419 10.235 -8.974
7 3HB ALA 1 HB3 ALA 1 -12.424 8.792 -8.779
8 H THR 2 HN THR 2 -11.490 9.079 -7.479
9 HA THR 2 HA THR 2 -8.589 9.030 -7.081
10 HB THR 2 HB THR 2 -10.694 8.030 -5.158
11 HG1 THR 2 HG1 THR 2 -9.955 10.298 -4.249
12 1HG2 THR 2 HG21 THR 2 -8.144 9.222 -4.253
13 2HG2 THR 2 HG22 THR 2 -8.023 7.668 -5.079
14 3HG2 THR 2 HG23 THR 2 -9.023 7.824 -3.635
15 H CYS 3 HN CYS 3 -7.609 7.354 -8.017
16 HA CYS 3 HA CYS 3 -9.065 4.878 -8.446
17 1HB CYS 3 HB2 CYS 3 -6.471 5.991 -9.466
18 2HB CYS 3 HB1 CYS 3 -6.825 4.269 -9.624
19 H LYS 4 HN LYS 4 -8.771 3.041 -7.397
20 HA LYS 4 HA LYS 4 -6.615 2.884 -5.388
21 1HB LYS 4 HB2 LYS 4 -8.959 3.220 -4.474
22 2HB LYS 4 HB1 LYS 4 -9.381 1.663 -5.161
23 1HG LYS 4 HG2 LYS 4 -7.196 2.036 -3.123
24 2HG LYS 4 HG1 LYS 4 -8.868 1.676 -2.704
25 1HD LYS 4 HD2 LYS 4 -7.034 -0.048 -4.373
26 2HD LYS 4 HD1 LYS 4 -7.512 -0.350 -2.703
27 1HE LYS 4 HE2 LYS 4 -9.784 -0.720 -3.347
28 2HE LYS 4 HE1 LYS 4 -9.466 -0.167 -4.991
29 1HZ LYS 4 HZ1 LYS 4 -9.552 -2.694 -4.464
30 2HZ LYS 4 HZ2 LYS 4 -7.963 -2.469 -3.924
31 3HZ LYS 4 HZ3 LYS 4 -8.377 -2.104 -5.525
32 H ALA 5 HN ALA 5 -5.361 1.148 -5.498
33 HA ALA 5 HA ALA 5 -6.249 -1.375 -6.543
34 1HB ALA 5 HB1 ALA 5 -5.552 0.195 -8.545
35 2HB ALA 5 HB2 ALA 5 -5.081 -1.505 -8.521
36 3HB ALA 5 HB3 ALA 5 -3.923 -0.262 -8.045
37 H GLU 6 HN GLU 6 -5.065 -2.979 -5.602
38 HA GLU 6 HA GLU 6 -3.225 -2.300 -3.573
39 1HB GLU 6 HB2 GLU 6 -3.752 -5.003 -4.841
40 2HB GLU 6 HB1 GLU 6 -2.811 -4.739 -3.392
41 1HG GLU 6 HG2 GLU 6 -5.082 -5.543 -2.924
42 2HG GLU 6 HG1 GLU 6 -4.737 -3.983 -2.187
43 H CYS 7 HN CYS 7 -1.036 -2.362 -3.519
44 HA CYS 7 HA CYS 7 0.410 -1.740 -5.800
45 1HB CYS 7 HB2 CYS 7 1.187 -1.359 -3.446
46 2HB CYS 7 HB1 CYS 7 1.567 -3.076 -3.340
47 HA PRO 8 HA PRO 8 0.508 -5.572 -8.046
48 1HB PRO 8 HB2 PRO 8 2.944 -4.314 -9.213
49 2HB PRO 8 HB1 PRO 8 1.536 -5.008 -10.025
50 1HG PRO 8 HG2 PRO 8 1.848 -2.370 -9.876
51 2HG PRO 8 HG1 PRO 8 0.245 -3.108 -9.697
52 1HD PRO 8 HD2 PRO 8 2.062 -1.987 -7.609
53 2HD PRO 8 HD1 PRO 8 0.291 -1.927 -7.715
54 H THR 9 HN THR 9 3.532 -4.197 -6.800
55 HA THR 9 HA THR 9 4.676 -6.859 -6.558
56 HB THR 9 HB THR 9 6.701 -5.587 -5.716
57 HG1 THR 9 HG1 THR 9 5.278 -3.649 -5.254
58 1HG2 THR 9 HG21 THR 9 6.094 -6.282 -8.170
59 2HG2 THR 9 HG22 THR 9 7.476 -5.230 -7.860
60 3HG2 THR 9 HG23 THR 9 5.949 -4.541 -8.411
61 H TRP 10 HN TRP 10 2.485 -6.622 -4.947
62 HA TRP 10 HA TRP 10 3.724 -6.738 -2.302
63 1HB TRP 10 HB2 TRP 10 2.690 -4.475 -2.569
64 2HB TRP 10 HB1 TRP 10 1.133 -5.261 -2.812
65 HD1 TRP 10 HD1 TRP 10 0.058 -6.534 -0.668
66 HE1 TRP 10 HE1 TRP 10 0.413 -6.157 1.868
67 HE3 TRP 10 HE3 TRP 10 4.328 -3.732 -0.857
68 HZ2 TRP 10 HZ2 TRP 10 2.261 -4.801 3.548
69 HZ3 TRP 10 HZ3 TRP 10 5.305 -2.914 1.244
70 HH2 TRP 10 HH2 TRP 10 4.294 -3.444 3.398
71 H ASP 11 HN ASP 11 3.247 -8.595 -1.409
72 HA ASP 11 HA ASP 11 0.569 -9.677 -1.538
73 1HB ASP 11 HB2 ASP 11 1.973 -10.603 -3.524
74 2HB ASP 11 HB1 ASP 11 2.817 -11.535 -2.288
75 H SER 12 HN SER 12 1.435 -8.617 0.611
76 HA SER 12 HA SER 12 1.969 -10.831 2.403
77 1HB SER 12 HB2 SER 12 3.753 -8.382 2.335
78 2HB SER 12 HB1 SER 12 3.839 -9.686 3.520
79 HG SER 12 HG SER 12 3.924 -10.796 1.117
80 H VAL 13 HN VAL 13 2.060 -9.857 4.752
81 HA VAL 13 HA VAL 13 -0.436 -8.494 5.124
82 HB VAL 13 HB VAL 13 1.630 -9.379 7.148
83 1HG1 VAL 13 HG11 VAL 13 -0.896 -7.926 7.413
84 2HG1 VAL 13 HG12 VAL 13 0.451 -8.079 8.540
85 3HG1 VAL 13 HG13 VAL 13 -0.768 -9.350 8.446
86 1HG2 VAL 13 HG21 VAL 13 0.926 -11.382 6.322
87 2HG2 VAL 13 HG22 VAL 13 -0.634 -10.746 5.801
88 3HG2 VAL 13 HG23 VAL 13 -0.352 -11.103 7.505
89 H CYS 14 HN CYS 14 -0.657 -6.378 5.078
90 HA CYS 14 HA CYS 14 1.623 -4.621 5.506
91 1HB CYS 14 HB2 CYS 14 -0.103 -4.360 3.629
92 2HB CYS 14 HB1 CYS 14 -1.221 -3.821 4.874
93 H ILE 15 HN ILE 15 2.060 -3.951 7.505
94 HA ILE 15 HA ILE 15 -0.169 -3.673 9.410
95 HB ILE 15 HB ILE 15 2.749 -4.163 10.041
96 1HG1 ILE 15 HG12 ILE 15 0.381 -6.038 10.256
97 2HG1 ILE 15 HG11 ILE 15 1.621 -6.118 9.010
98 1HG2 ILE 15 HG21 ILE 15 0.472 -4.405 11.973
99 2HG2 ILE 15 HG22 ILE 15 1.245 -2.847 11.677
100 3HG2 ILE 15 HG23 ILE 15 2.193 -4.198 12.299
101 1HD1 ILE 15 HD11 ILE 15 3.152 -7.034 10.404
102 2HD1 ILE 15 HD12 ILE 15 1.686 -7.619 11.190
103 3HD1 ILE 15 HD13 ILE 15 2.523 -6.203 11.827
104 H ASN 16 HN ASN 16 3.027 -2.339 8.609
105 HA ASN 16 HA ASN 16 2.306 0.169 9.888
106 1HB ASN 16 HB2 ASN 16 4.542 -0.766 10.321
107 2HB ASN 16 HB1 ASN 16 4.914 -0.678 8.603
108 1HD2 ASN 16 HD21 ASN 16 6.605 0.726 8.782
109 2HD2 ASN 16 HD22 ASN 16 6.436 2.365 9.302
110 H LYS 17 HN LYS 17 2.134 2.097 8.852
111 HA LYS 17 HA LYS 17 0.982 2.135 6.306
112 1HB LYS 17 HB2 LYS 17 0.606 3.785 8.118
113 2HB LYS 17 HB1 LYS 17 2.215 4.428 7.841
114 1HG LYS 17 HG2 LYS 17 0.803 5.913 6.747
115 2HG LYS 17 HG1 LYS 17 1.418 4.884 5.453
116 1HD LYS 17 HD2 LYS 17 -0.603 3.715 5.266
117 2HD LYS 17 HD1 LYS 17 -1.171 4.270 6.843
118 1HE LYS 17 HE2 LYS 17 -2.355 5.419 5.054
119 2HE LYS 17 HE1 LYS 17 -1.361 6.551 5.968
120 1HZ LYS 17 HZ1 LYS 17 -0.379 5.302 3.477
121 2HZ LYS 17 HZ2 LYS 17 0.166 6.712 4.233
122 3HZ LYS 17 HZ3 LYS 17 -1.326 6.706 3.434
123 H LYS 18 HN LYS 18 4.276 3.002 7.326
124 HA LYS 18 HA LYS 18 5.216 4.178 5.033
125 1HB LYS 18 HB2 LYS 18 6.480 4.087 7.129
126 2HB LYS 18 HB1 LYS 18 6.800 2.379 6.864
127 1HG LYS 18 HG2 LYS 18 8.062 2.911 4.850
128 2HG LYS 18 HG1 LYS 18 7.718 4.626 5.080
129 1HD LYS 18 HD2 LYS 18 8.922 4.573 7.216
130 2HD LYS 18 HD1 LYS 18 9.275 2.862 6.970
131 1HE LYS 18 HE2 LYS 18 10.523 3.410 4.939
132 2HE LYS 18 HE1 LYS 18 10.161 5.119 5.174
133 1HZ LYS 18 HZ1 LYS 18 11.462 5.157 7.144
134 2HZ LYS 18 HZ2 LYS 18 12.400 4.414 5.949
135 3HZ LYS 18 HZ3 LYS 18 11.654 3.475 7.142
136 HA PRO 19 HA PRO 19 6.836 -0.228 3.351
137 1HB PRO 19 HB2 PRO 19 4.451 -1.695 4.418
138 2HB PRO 19 HB1 PRO 19 6.076 -2.303 4.087
139 1HG PRO 19 HG2 PRO 19 5.360 -1.786 6.573
140 2HG PRO 19 HG1 PRO 19 6.971 -1.306 6.003
141 1HD PRO 19 HD2 PRO 19 4.550 0.374 6.481
142 2HD PRO 19 HD1 PRO 19 6.262 0.760 6.742
143 H CYS 20 HN CYS 20 3.344 0.256 3.789
144 HA CYS 20 HA CYS 20 2.623 -0.549 1.185
145 1HB CYS 20 HB2 CYS 20 1.096 -0.408 3.187
146 2HB CYS 20 HB1 CYS 20 1.093 1.340 2.985
147 H VAL 21 HN VAL 21 3.066 2.683 2.629
148 HA VAL 21 HA VAL 21 2.472 4.204 0.359
149 HB VAL 21 HB VAL 21 4.468 4.862 2.542
150 1HG1 VAL 21 HG11 VAL 21 3.560 6.325 0.184
151 2HG1 VAL 21 HG12 VAL 21 4.952 6.609 1.229
152 3HG1 VAL 21 HG13 VAL 21 3.365 7.224 1.689
153 1HG2 VAL 21 HG21 VAL 21 1.767 6.059 2.498
154 2HG2 VAL 21 HG22 VAL 21 2.774 5.574 3.862
155 3HG2 VAL 21 HG23 VAL 21 1.874 4.359 2.954
156 H ALA 22 HN ALA 22 5.486 2.669 1.375
157 HA ALA 22 HA ALA 22 7.160 3.813 -0.584
158 1HB ALA 22 HB1 ALA 22 7.823 1.066 0.181
159 2HB ALA 22 HB2 ALA 22 7.538 2.146 1.545
160 3HB ALA 22 HB3 ALA 22 8.764 2.549 0.343
161 H CYS 23 HN CYS 23 5.392 0.724 -0.526
162 HA CYS 23 HA CYS 23 6.147 -0.178 -3.081
163 1HB CYS 23 HB2 CYS 23 4.885 -1.399 -1.150
164 2HB CYS 23 HB1 CYS 23 3.438 -0.751 -1.906
165 H CYS 24 HN CYS 24 3.401 1.727 -1.975
166 HA CYS 24 HA CYS 24 2.132 1.960 -4.484
167 1HB CYS 24 HB2 CYS 24 1.968 3.667 -2.002
168 2HB CYS 24 HB1 CYS 24 0.896 3.833 -3.384
169 H LYS 25 HN LYS 25 4.554 3.957 -2.855
170 HA LYS 25 HA LYS 25 4.396 6.132 -4.637
171 1HB LYS 25 HB2 LYS 25 5.545 5.964 -2.322
172 2HB LYS 25 HB1 LYS 25 6.934 5.376 -3.225
173 1HG LYS 25 HG2 LYS 25 6.887 7.847 -2.692
174 2HG LYS 25 HG1 LYS 25 7.188 7.410 -4.374
175 1HD LYS 25 HD2 LYS 25 5.599 9.298 -4.126
176 2HD LYS 25 HD1 LYS 25 4.904 7.914 -4.965
177 1HE LYS 25 HE2 LYS 25 3.253 8.707 -3.456
178 2HE LYS 25 HE1 LYS 25 3.894 7.216 -2.774
179 1HZ LYS 25 HZ1 LYS 25 4.861 8.310 -1.057
180 2HZ LYS 25 HZ2 LYS 25 3.575 9.372 -1.338
181 3HZ LYS 25 HZ3 LYS 25 5.116 9.735 -1.934
182 H LYS 26 HN LYS 26 6.496 3.248 -4.639
183 HA LYS 26 HA LYS 26 7.892 4.012 -7.003
184 1HB LYS 26 HB2 LYS 26 8.438 1.511 -7.136
185 2HB LYS 26 HB1 LYS 26 9.006 2.383 -5.720
186 1HG LYS 26 HG2 LYS 26 7.438 1.394 -4.327
187 2HG LYS 26 HG1 LYS 26 6.404 0.916 -5.672
188 1HD LYS 26 HD2 LYS 26 9.154 -0.219 -5.203
189 2HD LYS 26 HD1 LYS 26 7.676 -0.950 -4.571
190 1HE LYS 26 HE2 LYS 26 6.832 -0.946 -6.968
191 2HE LYS 26 HE1 LYS 26 8.490 -0.572 -7.441
192 1HZ LYS 26 HZ1 LYS 26 7.355 -3.052 -6.436
193 2HZ LYS 26 HZ2 LYS 26 8.895 -2.656 -5.849
194 3HZ LYS 26 HZ3 LYS 26 8.639 -2.802 -7.514
195 H ALA 27 HN ALA 27 4.879 2.409 -6.352
196 HA ALA 27 HA ALA 27 4.452 1.408 -9.001
197 1HB ALA 27 HB1 ALA 27 2.635 0.411 -8.138
198 2HB ALA 27 HB2 ALA 27 2.077 1.886 -7.348
199 3HB ALA 27 HB3 ALA 27 3.317 0.892 -6.584
200 H LYS 28 HN LYS 28 4.501 4.458 -7.744
201 HA LYS 28 HA LYS 28 4.114 6.491 -8.674
202 1HB LYS 28 HB2 LYS 28 4.159 5.041 -10.874
203 2HB LYS 28 HB1 LYS 28 2.436 5.379 -10.878
204 1HG LYS 28 HG2 LYS 28 2.810 7.716 -11.033
205 2HG LYS 28 HG1 LYS 28 4.535 7.523 -10.718
206 1HD LYS 28 HD2 LYS 28 3.139 6.342 -13.115
207 2HD LYS 28 HD1 LYS 28 3.912 7.926 -13.127
208 1HE LYS 28 HE2 LYS 28 5.472 6.377 -14.038
209 2HE LYS 28 HE1 LYS 28 6.038 6.793 -12.424
210 1HZ LYS 28 HZ1 LYS 28 5.805 4.289 -13.349
211 2HZ LYS 28 HZ2 LYS 28 4.327 4.461 -12.546
212 3HZ LYS 28 HZ3 LYS 28 5.776 4.698 -11.707
213 H PHE 29 HN PHE 29 2.473 5.328 -6.697
214 HA PHE 29 HA PHE 29 -0.141 6.550 -7.286
215 1HB PHE 29 HB2 PHE 29 0.643 4.341 -5.393
216 2HB PHE 29 HB1 PHE 29 -0.863 5.228 -5.185
217 HD1 PHE 29 HD1 PHE 29 -2.761 4.440 -6.216
218 HD2 PHE 29 HD2 PHE 29 1.036 3.356 -7.800
219 HE1 PHE 29 HE1 PHE 29 -3.865 2.942 -7.825
220 HE2 PHE 29 HE2 PHE 29 -0.061 1.859 -9.414
221 HZ PHE 29 HZ PHE 29 -2.514 1.650 -9.428
222 H SER 30 HN SER 30 -1.035 7.970 -5.747
223 HA SER 30 HA SER 30 0.770 9.764 -4.609
224 1HB SER 30 HB2 SER 30 -1.533 10.339 -5.327
225 2HB SER 30 HB1 SER 30 -2.163 9.445 -3.944
226 HG SER 30 HG SER 30 -1.384 10.956 -2.590
227 H ASP 31 HN ASP 31 -1.284 7.331 -3.008
228 HA ASP 31 HA ASP 31 0.649 7.122 -0.864
229 1HB ASP 31 HB2 ASP 31 -0.678 9.039 -0.108
230 2HB ASP 31 HB1 ASP 31 -2.157 8.098 -0.281
231 H GLY 32 HN GLY 32 0.300 5.340 0.525
232 1HA GLY 32 HA2 GLY 32 -1.647 3.380 -0.517
233 2HA GLY 32 HA1 GLY 32 -0.020 2.937 -0.020
234 H HIS 33 HN HIS 33 -2.732 2.105 0.921
235 HA HIS 33 HA HIS 33 -2.210 2.526 3.783
236 1HB HIS 33 HB2 HIS 33 -4.718 2.621 4.142
237 2HB HIS 33 HB1 HIS 33 -4.001 4.044 3.399
238 HD1 HIS 33 HD1 HIS 33 -4.295 4.119 0.665
239 HD2 HIS 33 HD2 HIS 33 -6.832 1.592 2.779
240 HE1 HIS 33 HE1 HIS 33 -6.189 3.601 -0.899
241 H CYS 34 HN CYS 34 -2.341 0.734 4.979
242 HA CYS 34 HA CYS 34 -2.503 -1.798 3.741
243 1HB CYS 34 HB2 CYS 34 -2.691 -1.177 6.693
244 2HB CYS 34 HB1 CYS 34 -2.231 -2.712 5.969
245 H SER 35 HN SER 35 -4.143 -3.188 3.483
246 HA SER 35 HA SER 35 -6.827 -2.319 4.006
247 1HB SER 35 HB2 SER 35 -6.253 -3.581 1.965
248 2HB SER 35 HB1 SER 35 -5.803 -4.969 2.952
249 HG SER 35 HG SER 35 -8.233 -4.222 2.079
250 H LYS 36 HN LYS 36 -8.390 -3.532 5.198
251 HA LYS 36 HA LYS 36 -7.315 -4.573 7.686
252 1HB LYS 36 HB2 LYS 36 -9.106 -3.015 7.950
253 2HB LYS 36 HB1 LYS 36 -10.102 -3.856 6.769
254 1HG LYS 36 HG2 LYS 36 -10.221 -5.788 8.294
255 2HG LYS 36 HG1 LYS 36 -9.318 -4.861 9.495
256 1HD LYS 36 HD2 LYS 36 -11.103 -3.180 9.530
257 2HD LYS 36 HD1 LYS 36 -12.003 -4.115 8.333
258 1HE LYS 36 HE2 LYS 36 -11.261 -5.000 11.121
259 2HE LYS 36 HE1 LYS 36 -12.869 -4.545 10.560
260 1HZ LYS 36 HZ1 LYS 36 -12.276 -7.018 10.690
261 2HZ LYS 36 HZ2 LYS 36 -11.390 -6.754 9.275
262 3HZ LYS 36 HZ3 LYS 36 -13.057 -6.463 9.295
263 H ILE 37 HN ILE 37 -8.813 -5.677 4.778
264 HA ILE 37 HA ILE 37 -9.793 -8.174 5.702
265 HB ILE 37 HB ILE 37 -8.894 -7.642 2.886
266 1HG1 ILE 37 HG12 ILE 37 -11.580 -6.864 4.027
267 2HG1 ILE 37 HG11 ILE 37 -10.264 -5.721 3.770
268 1HG2 ILE 37 HG21 ILE 37 -11.242 -8.972 2.725
269 2HG2 ILE 37 HG22 ILE 37 -10.622 -9.592 4.255
270 3HG2 ILE 37 HG23 ILE 37 -9.665 -9.761 2.783
271 1HD1 ILE 37 HD11 ILE 37 -11.207 -5.397 1.776
272 2HD1 ILE 37 HD12 ILE 37 -12.132 -6.896 1.863
273 3HD1 ILE 37 HD13 ILE 37 -10.449 -6.927 1.332
274 H LEU 38 HN LEU 38 -7.672 -8.498 3.025
275 HA LEU 38 HA LEU 38 -6.133 -10.516 4.403
276 1HB LEU 38 HB2 LEU 38 -6.983 -10.668 2.018
277 2HB LEU 38 HB1 LEU 38 -5.744 -9.509 1.593
278 HG LEU 38 HG LEU 38 -4.032 -11.073 2.455
279 1HD1 LEU 38 HD11 LEU 38 -5.779 -12.287 3.907
280 2HD1 LEU 38 HD12 LEU 38 -4.510 -13.241 3.139
281 3HD1 LEU 38 HD13 LEU 38 -6.130 -13.209 2.445
282 1HD2 LEU 38 HD21 LEU 38 -4.228 -11.115 0.141
283 2HD2 LEU 38 HD22 LEU 38 -5.840 -11.830 0.191
284 3HD2 LEU 38 HD23 LEU 38 -4.427 -12.810 0.584
285 H ARG 39 HN ARG 39 -5.935 -7.473 4.740
286 HA ARG 39 HA ARG 39 -4.391 -5.914 5.270
287 1HB ARG 39 HB2 ARG 39 -3.224 -8.478 5.994
288 2HB ARG 39 HB1 ARG 39 -2.002 -7.263 5.649
289 1HG ARG 39 HG2 ARG 39 -2.556 -7.313 8.010
290 2HG ARG 39 HG1 ARG 39 -3.002 -5.769 7.286
291 1HD ARG 39 HD2 ARG 39 -5.327 -6.473 7.169
292 2HD ARG 39 HD1 ARG 39 -4.899 -8.056 7.817
293 HE ARG 39 HE ARG 39 -4.977 -7.155 9.898
294 1HH1 ARG 39 HH11 ARG 39 -4.577 -4.522 7.620
295 2HH1 ARG 39 HH12 ARG 39 -4.522 -3.300 8.848
296 1HH2 ARG 39 HH21 ARG 39 -4.922 -5.537 11.517
297 2HH2 ARG 39 HH22 ARG 39 -4.724 -3.877 11.065
298 H ARG 40 HN ARG 40 -4.701 -6.665 2.438
299 HA ARG 40 HA ARG 40 -2.106 -6.537 1.238
300 1HB ARG 40 HB2 ARG 40 -4.892 -6.191 0.151
301 2HB ARG 40 HB1 ARG 40 -3.469 -5.935 -0.851
302 1HG ARG 40 HG2 ARG 40 -2.747 -8.251 -0.295
303 2HG ARG 40 HG1 ARG 40 -4.294 -8.478 0.523
304 1HD ARG 40 HD2 ARG 40 -5.489 -8.088 -1.539
305 2HD ARG 40 HD1 ARG 40 -3.985 -7.703 -2.376
306 HE ARG 40 HE ARG 40 -5.041 -10.298 -1.841
307 1HH1 ARG 40 HH11 ARG 40 -2.070 -8.512 -2.413
308 2HH1 ARG 40 HH12 ARG 40 -1.135 -9.939 -2.753
309 1HH2 ARG 40 HH21 ARG 40 -3.759 -12.173 -2.306
310 2HH2 ARG 40 HH22 ARG 40 -2.068 -11.977 -2.684
311 H CYS 41 HN CYS 41 -1.178 -4.773 0.112
312 HA CYS 41 HA CYS 41 -1.644 -2.237 1.399
313 1HB CYS 41 HB2 CYS 41 0.639 -2.866 0.997
314 2HB CYS 41 HB1 CYS 41 0.319 -3.149 -0.709
315 H LEU 42 HN LEU 42 -3.378 -1.121 0.739
316 HA LEU 42 HA LEU 42 -4.202 -1.170 -2.046
317 1HB LEU 42 HB2 LEU 42 -5.358 -0.105 0.500
318 2HB LEU 42 HB1 LEU 42 -5.906 0.579 -1.018
319 HG LEU 42 HG LEU 42 -6.688 -1.621 -1.745
320 1HD1 LEU 42 HD11 LEU 42 -6.576 -3.560 -0.424
321 2HD1 LEU 42 HD12 LEU 42 -6.018 -2.662 0.988
322 3HD1 LEU 42 HD13 LEU 42 -4.950 -2.877 -0.399
323 1HD2 LEU 42 HD21 LEU 42 -7.719 -0.095 0.435
324 2HD2 LEU 42 HD22 LEU 42 -8.094 -1.799 0.688
325 3HD2 LEU 42 HD23 LEU 42 -8.593 -0.998 -0.802
326 H CYS 43 HN CYS 43 -3.427 0.219 -3.471
327 HA CYS 43 HA CYS 43 -2.168 2.669 -2.495
328 1HB CYS 43 HB2 CYS 43 -2.030 1.338 -5.207
329 2HB CYS 43 HB1 CYS 43 -1.154 2.789 -4.739
330 H THR 44 HN THR 44 -2.906 4.638 -2.981
331 HA THR 44 HA THR 44 -5.247 4.813 -4.755
332 HB THR 44 HB THR 44 -5.624 6.936 -3.131
333 HG1 THR 44 HG1 THR 44 -3.804 6.047 -1.803
334 1HG2 THR 44 HG21 THR 44 -7.228 5.118 -3.788
335 2HG2 THR 44 HG22 THR 44 -7.417 5.708 -2.137
336 3HG2 THR 44 HG23 THR 44 -6.607 4.171 -2.436
337 H LYS 45 HN LYS 45 -5.316 6.509 -6.158
338 HA LYS 45 HA LYS 45 -3.389 8.658 -5.994
339 1HB LYS 45 HB2 LYS 45 -2.211 8.231 -8.007
340 2HB LYS 45 HB1 LYS 45 -2.134 6.752 -7.062
341 1HG LYS 45 HG2 LYS 45 -3.786 5.707 -8.435
342 2HG LYS 45 HG1 LYS 45 -4.109 7.220 -9.283
343 1HD LYS 45 HD2 LYS 45 -1.423 5.850 -9.301
344 2HD LYS 45 HD1 LYS 45 -2.665 5.559 -10.518
345 1HE LYS 45 HE2 LYS 45 -1.239 7.173 -11.464
346 2HE LYS 45 HE1 LYS 45 -2.653 8.070 -10.917
347 1HZ LYS 45 HZ1 LYS 45 0.034 7.967 -9.673
348 2HZ LYS 45 HZ2 LYS 45 -1.321 8.553 -8.848
349 3HZ LYS 45 HZ3 LYS 45 -0.801 9.327 -10.257
350 H GLU 46 HN GLU 46 -3.491 9.977 -8.005
351 HA GLU 46 HA GLU 46 -6.203 10.780 -8.386
352 1HB GLU 46 HB2 GLU 46 -5.248 12.696 -9.442
353 2HB GLU 46 HB1 GLU 46 -4.215 12.300 -8.078
354 1HG GLU 46 HG2 GLU 46 -3.640 11.517 -10.922
355 2HG GLU 46 HG1 GLU 46 -3.006 12.958 -10.148
356 H CYS 47 HN CYS 47 -7.327 10.872 -10.308
357 HA CYS 47 HA CYS 47 -6.391 10.085 -12.823
358 1HB CYS 47 HB2 CYS 47 -7.517 7.935 -13.096
359 2HB CYS 47 HB1 CYS 47 -6.312 7.833 -11.819
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 -9.611 11.540 -6.801
2 2H ALA 1 HT2 ALA 1 -10.407 10.980 -8.187
3 3H ALA 1 HT3 ALA 1 -9.637 12.484 -8.204
4 HA ALA 1 HA ALA 1 -8.578 10.168 -9.081
5 1HB ALA 1 HB1 ALA 1 -7.455 12.821 -8.272
6 2HB ALA 1 HB2 ALA 1 -7.670 12.141 -9.885
7 3HB ALA 1 HB3 ALA 1 -6.378 11.545 -8.843
8 H THR 2 HN THR 2 -9.447 9.475 -6.497
9 HA THR 2 HA THR 2 -7.023 9.131 -4.915
10 HB THR 2 HB THR 2 -9.787 8.189 -4.156
11 HG1 THR 2 HG1 THR 2 -9.470 10.439 -2.956
12 1HG2 THR 2 HG21 THR 2 -7.195 8.649 -2.771
13 2HG2 THR 2 HG22 THR 2 -8.396 7.380 -2.527
14 3HG2 THR 2 HG23 THR 2 -8.675 8.995 -1.874
15 H CYS 3 HN CYS 3 -5.965 7.631 -6.223
16 HA CYS 3 HA CYS 3 -7.276 5.120 -6.826
17 1HB CYS 3 HB2 CYS 3 -4.485 6.095 -7.468
18 2HB CYS 3 HB1 CYS 3 -5.271 4.666 -8.146
19 H LYS 4 HN LYS 4 -6.956 3.244 -5.833
20 HA LYS 4 HA LYS 4 -4.797 2.995 -3.852
21 1HB LYS 4 HB2 LYS 4 -7.023 3.615 -2.794
22 2HB LYS 4 HB1 LYS 4 -7.644 2.080 -3.374
23 1HG LYS 4 HG2 LYS 4 -5.273 2.303 -1.533
24 2HG LYS 4 HG1 LYS 4 -6.933 2.153 -0.962
25 1HD LYS 4 HD2 LYS 4 -5.467 0.167 -2.701
26 2HD LYS 4 HD1 LYS 4 -5.805 -0.014 -0.979
27 1HE LYS 4 HE2 LYS 4 -8.153 -0.132 -1.376
28 2HE LYS 4 HE1 LYS 4 -7.950 0.335 -3.064
29 1HZ LYS 4 HZ1 LYS 4 -6.574 -2.087 -2.137
30 2HZ LYS 4 HZ2 LYS 4 -7.255 -1.732 -3.649
31 3HZ LYS 4 HZ3 LYS 4 -8.254 -2.161 -2.357
32 H ALA 5 HN ALA 5 -3.741 1.145 -3.985
33 HA ALA 5 HA ALA 5 -4.966 -1.287 -4.941
34 1HB ALA 5 HB1 ALA 5 -4.325 -1.141 -7.072
35 2HB ALA 5 HB2 ALA 5 -2.648 -1.122 -6.528
36 3HB ALA 5 HB3 ALA 5 -3.516 0.395 -6.763
37 H GLU 6 HN GLU 6 -3.845 -3.079 -4.194
38 HA GLU 6 HA GLU 6 -2.057 -2.698 -2.051
39 1HB GLU 6 HB2 GLU 6 -2.120 -5.331 -3.452
40 2HB GLU 6 HB1 GLU 6 -2.168 -4.975 -1.734
41 1HG GLU 6 HG2 GLU 6 -4.465 -4.548 -3.629
42 2HG GLU 6 HG1 GLU 6 -4.259 -5.955 -2.588
43 H CYS 7 HN CYS 7 0.141 -2.849 -1.946
44 HA CYS 7 HA CYS 7 1.655 -2.151 -4.184
45 1HB CYS 7 HB2 CYS 7 2.362 -1.831 -1.795
46 2HB CYS 7 HB1 CYS 7 2.726 -3.552 -1.723
47 HA PRO 8 HA PRO 8 1.759 -6.005 -6.413
48 1HB PRO 8 HB2 PRO 8 4.099 -4.722 -7.714
49 2HB PRO 8 HB1 PRO 8 2.638 -5.398 -8.441
50 1HG PRO 8 HG2 PRO 8 3.003 -2.759 -8.293
51 2HG PRO 8 HG1 PRO 8 1.399 -3.479 -8.058
52 1HD PRO 8 HD2 PRO 8 3.318 -2.414 -6.027
53 2HD PRO 8 HD1 PRO 8 1.547 -2.300 -6.075
54 H THR 9 HN THR 9 4.745 -4.483 -5.277
55 HA THR 9 HA THR 9 6.102 -7.041 -5.111
56 HB THR 9 HB THR 9 8.008 -5.663 -4.241
57 HG1 THR 9 HG1 THR 9 6.147 -3.901 -3.767
58 1HG2 THR 9 HG21 THR 9 6.805 -4.705 -6.843
59 2HG2 THR 9 HG22 THR 9 7.791 -6.152 -6.637
60 3HG2 THR 9 HG23 THR 9 8.498 -4.559 -6.369
61 H TRP 10 HN TRP 10 3.881 -7.078 -3.502
62 HA TRP 10 HA TRP 10 5.088 -7.225 -0.840
63 1HB TRP 10 HB2 TRP 10 3.881 -5.012 -1.124
64 2HB TRP 10 HB1 TRP 10 2.394 -5.934 -1.308
65 HD1 TRP 10 HD1 TRP 10 1.329 -6.997 0.873
66 HE1 TRP 10 HE1 TRP 10 1.772 -6.623 3.389
67 HE3 TRP 10 HE3 TRP 10 5.749 -4.459 0.547
68 HZ2 TRP 10 HZ2 TRP 10 3.742 -5.376 5.013
69 HZ3 TRP 10 HZ3 TRP 10 6.833 -3.696 2.617
70 HH2 TRP 10 HH2 TRP 10 5.849 -4.150 4.800
71 H ASP 11 HN ASP 11 4.652 -9.130 0.020
72 HA ASP 11 HA ASP 11 2.065 -10.391 -0.321
73 1HB ASP 11 HB2 ASP 11 3.667 -11.166 -2.218
74 2HB ASP 11 HB1 ASP 11 4.509 -12.046 -0.946
75 H SER 12 HN SER 12 2.615 -9.370 1.915
76 HA SER 12 HA SER 12 3.104 -11.543 3.732
77 1HB SER 12 HB2 SER 12 4.969 -9.150 3.736
78 2HB SER 12 HB1 SER 12 4.915 -10.399 4.978
79 HG SER 12 HG SER 12 5.163 -11.560 2.577
80 H VAL 13 HN VAL 13 2.724 -10.869 5.992
81 HA VAL 13 HA VAL 13 0.502 -9.032 6.131
82 HB VAL 13 HB VAL 13 1.913 -10.589 8.322
83 1HG1 VAL 13 HG11 VAL 13 -0.880 -9.740 8.683
84 2HG1 VAL 13 HG12 VAL 13 0.320 -8.448 8.722
85 3HG1 VAL 13 HG13 VAL 13 0.449 -9.805 9.841
86 1HG2 VAL 13 HG21 VAL 13 0.460 -11.633 6.278
87 2HG2 VAL 13 HG22 VAL 13 -0.788 -11.379 7.497
88 3HG2 VAL 13 HG23 VAL 13 0.622 -12.369 7.872
89 H CYS 14 HN CYS 14 0.636 -6.943 6.681
90 HA CYS 14 HA CYS 14 3.140 -5.676 7.040
91 1HB CYS 14 HB2 CYS 14 1.493 -4.386 5.976
92 2HB CYS 14 HB1 CYS 14 0.294 -4.729 7.219
93 H ILE 15 HN ILE 15 4.193 -4.992 8.779
94 HA ILE 15 HA ILE 15 3.065 -5.640 11.413
95 HB ILE 15 HB ILE 15 5.955 -5.174 10.637
96 1HG1 ILE 15 HG12 ILE 15 5.115 -7.268 9.706
97 2HG1 ILE 15 HG11 ILE 15 6.227 -7.599 11.029
98 1HG2 ILE 15 HG21 ILE 15 5.217 -4.589 13.006
99 2HG2 ILE 15 HG22 ILE 15 6.573 -5.705 12.836
100 3HG2 ILE 15 HG23 ILE 15 4.968 -6.321 13.230
101 1HD1 ILE 15 HD11 ILE 15 4.674 -8.930 11.874
102 2HD1 ILE 15 HD12 ILE 15 3.479 -8.375 10.701
103 3HD1 ILE 15 HD13 ILE 15 3.708 -7.493 12.211
104 H ASN 16 HN ASN 16 4.697 -3.155 9.531
105 HA ASN 16 HA ASN 16 3.634 -1.095 11.312
106 1HB ASN 16 HB2 ASN 16 6.003 -1.599 11.982
107 2HB ASN 16 HB1 ASN 16 6.515 -1.135 10.365
108 1HD2 ASN 16 HD21 ASN 16 5.955 -0.092 13.485
109 2HD2 ASN 16 HD22 ASN 16 6.014 1.613 13.208
110 H LYS 17 HN LYS 17 3.501 1.005 10.262
111 HA LYS 17 HA LYS 17 2.585 0.854 7.610
112 1HB LYS 17 HB2 LYS 17 1.867 2.529 9.340
113 2HB LYS 17 HB1 LYS 17 3.392 3.365 9.083
114 1HG LYS 17 HG2 LYS 17 2.771 3.678 6.706
115 2HG LYS 17 HG1 LYS 17 1.204 2.943 7.054
116 1HD LYS 17 HD2 LYS 17 0.865 4.724 8.793
117 2HD LYS 17 HD1 LYS 17 2.328 5.502 8.188
118 1HE LYS 17 HE2 LYS 17 -0.180 4.945 6.603
119 2HE LYS 17 HE1 LYS 17 0.325 6.513 7.226
120 1HZ LYS 17 HZ1 LYS 17 0.940 6.470 4.969
121 2HZ LYS 17 HZ2 LYS 17 1.589 4.910 5.081
122 3HZ LYS 17 HZ3 LYS 17 2.381 6.208 5.822
123 H LYS 18 HN LYS 18 5.712 1.815 8.939
124 HA LYS 18 HA LYS 18 6.820 3.164 6.810
125 1HB LYS 18 HB2 LYS 18 8.192 1.246 8.694
126 2HB LYS 18 HB1 LYS 18 9.036 2.337 7.605
127 1HG LYS 18 HG2 LYS 18 8.001 4.251 8.733
128 2HG LYS 18 HG1 LYS 18 7.182 3.145 9.837
129 1HD LYS 18 HD2 LYS 18 9.159 4.043 10.902
130 2HD LYS 18 HD1 LYS 18 9.384 2.321 10.594
131 1HE LYS 18 HE2 LYS 18 10.689 2.852 8.592
132 2HE LYS 18 HE1 LYS 18 10.460 4.573 8.898
133 1HZ LYS 18 HZ1 LYS 18 12.629 3.574 9.658
134 2HZ LYS 18 HZ2 LYS 18 11.753 2.776 10.865
135 3HZ LYS 18 HZ3 LYS 18 11.781 4.467 10.819
136 HA PRO 19 HA PRO 19 8.488 -1.117 4.892
137 1HB PRO 19 HB2 PRO 19 6.147 -2.705 5.876
138 2HB PRO 19 HB1 PRO 19 7.793 -3.246 5.535
139 1HG PRO 19 HG2 PRO 19 7.038 -2.880 8.034
140 2HG PRO 19 HG1 PRO 19 8.634 -2.309 7.509
141 1HD PRO 19 HD2 PRO 19 6.135 -0.750 8.013
142 2HD PRO 19 HD1 PRO 19 7.822 -0.319 8.358
143 H CYS 20 HN CYS 20 5.025 -0.595 5.394
144 HA CYS 20 HA CYS 20 4.177 -1.345 2.815
145 1HB CYS 20 HB2 CYS 20 2.678 -1.208 4.767
146 2HB CYS 20 HB1 CYS 20 2.881 0.538 4.801
147 H VAL 21 HN VAL 21 4.809 1.862 4.247
148 HA VAL 21 HA VAL 21 4.241 3.399 1.971
149 HB VAL 21 HB VAL 21 6.294 4.010 4.115
150 1HG1 VAL 21 HG11 VAL 21 5.891 6.358 3.508
151 2HG1 VAL 21 HG12 VAL 21 4.841 5.827 2.194
152 3HG1 VAL 21 HG13 VAL 21 6.560 5.432 2.164
153 1HG2 VAL 21 HG21 VAL 21 4.599 4.243 5.525
154 2HG2 VAL 21 HG22 VAL 21 3.452 3.806 4.259
155 3HG2 VAL 21 HG23 VAL 21 3.923 5.492 4.479
156 H ALA 22 HN ALA 22 7.233 1.821 3.018
157 HA ALA 22 HA ALA 22 8.926 2.868 1.028
158 1HB ALA 22 HB1 ALA 22 10.503 1.441 1.832
159 2HB ALA 22 HB2 ALA 22 9.383 0.083 1.932
160 3HB ALA 22 HB3 ALA 22 9.361 1.338 3.171
161 H CYS 23 HN CYS 23 6.870 -0.005 1.108
162 HA CYS 23 HA CYS 23 7.614 -1.055 -1.407
163 1HB CYS 23 HB2 CYS 23 6.257 -2.172 0.485
164 2HB CYS 23 HB1 CYS 23 4.866 -1.335 -0.193
165 H CYS 24 HN CYS 24 4.882 0.938 -0.389
166 HA CYS 24 HA CYS 24 3.715 1.320 -2.897
167 1HB CYS 24 HB2 CYS 24 3.685 3.031 -0.412
168 2HB CYS 24 HB1 CYS 24 2.626 3.283 -1.792
169 H LYS 25 HN LYS 25 6.213 3.166 -1.212
170 HA LYS 25 HA LYS 25 6.276 5.324 -3.015
171 1HB LYS 25 HB2 LYS 25 7.316 5.096 -0.657
172 2HB LYS 25 HB1 LYS 25 8.691 4.391 -1.493
173 1HG LYS 25 HG2 LYS 25 8.848 6.849 -0.989
174 2HG LYS 25 HG1 LYS 25 9.130 6.390 -2.668
175 1HD LYS 25 HD2 LYS 25 7.706 8.405 -2.434
176 2HD LYS 25 HD1 LYS 25 6.904 7.086 -3.285
177 1HE LYS 25 HE2 LYS 25 5.310 8.012 -1.791
178 2HE LYS 25 HE1 LYS 25 5.818 6.473 -1.104
179 1HZ LYS 25 HZ1 LYS 25 5.664 8.648 0.331
180 2HZ LYS 25 HZ2 LYS 25 7.237 8.882 -0.249
181 3HZ LYS 25 HZ3 LYS 25 6.857 7.484 0.624
182 H LYS 26 HN LYS 26 8.022 2.225 -2.981
183 HA LYS 26 HA LYS 26 9.665 2.887 -5.212
184 1HB LYS 26 HB2 LYS 26 10.531 0.764 -5.083
185 2HB LYS 26 HB1 LYS 26 9.876 0.908 -3.460
186 1HG LYS 26 HG2 LYS 26 8.039 -0.469 -3.964
187 2HG LYS 26 HG1 LYS 26 8.318 -0.342 -5.701
188 1HD LYS 26 HD2 LYS 26 9.140 -2.457 -5.200
189 2HD LYS 26 HD1 LYS 26 10.594 -1.457 -5.182
190 1HE LYS 26 HE2 LYS 26 10.720 -2.847 -3.275
191 2HE LYS 26 HE1 LYS 26 10.269 -1.244 -2.690
192 1HZ LYS 26 HZ1 LYS 26 9.008 -3.373 -1.892
193 2HZ LYS 26 HZ2 LYS 26 8.133 -3.151 -3.326
194 3HZ LYS 26 HZ3 LYS 26 8.177 -1.924 -2.160
195 H ALA 27 HN ALA 27 6.435 1.678 -4.818
196 HA ALA 27 HA ALA 27 6.128 0.905 -7.587
197 1HB ALA 27 HB1 ALA 27 4.642 -0.400 -6.548
198 2HB ALA 27 HB2 ALA 27 3.594 1.018 -6.535
199 3HB ALA 27 HB3 ALA 27 4.588 0.642 -5.127
200 H LYS 28 HN LYS 28 6.545 3.769 -6.326
201 HA LYS 28 HA LYS 28 6.185 5.894 -6.976
202 1HB LYS 28 HB2 LYS 28 6.297 4.724 -9.268
203 2HB LYS 28 HB1 LYS 28 4.550 4.916 -9.300
204 1HG LYS 28 HG2 LYS 28 4.762 7.311 -9.183
205 2HG LYS 28 HG1 LYS 28 6.510 7.181 -8.984
206 1HD LYS 28 HD2 LYS 28 6.644 6.112 -11.212
207 2HD LYS 28 HD1 LYS 28 4.907 6.357 -11.404
208 1HE LYS 28 HE2 LYS 28 5.204 8.760 -11.258
209 2HE LYS 28 HE1 LYS 28 6.932 8.550 -10.973
210 1HZ LYS 28 HZ1 LYS 28 7.258 7.784 -13.150
211 2HZ LYS 28 HZ2 LYS 28 6.236 9.122 -13.313
212 3HZ LYS 28 HZ3 LYS 28 5.604 7.557 -13.425
213 H PHE 29 HN PHE 29 4.395 4.718 -5.104
214 HA PHE 29 HA PHE 29 1.876 6.114 -5.713
215 1HB PHE 29 HB2 PHE 29 2.504 3.887 -3.787
216 2HB PHE 29 HB1 PHE 29 1.060 4.874 -3.593
217 HD1 PHE 29 HD1 PHE 29 -0.889 4.261 -4.673
218 HD2 PHE 29 HD2 PHE 29 2.829 2.786 -6.123
219 HE1 PHE 29 HE1 PHE 29 -2.087 2.817 -6.262
220 HE2 PHE 29 HE2 PHE 29 1.637 1.343 -7.718
221 HZ PHE 29 HZ PHE 29 -0.824 1.357 -7.790
222 H SER 30 HN SER 30 1.062 7.631 -4.268
223 HA SER 30 HA SER 30 2.900 9.355 -3.119
224 1HB SER 30 HB2 SER 30 -0.013 9.195 -2.346
225 2HB SER 30 HB1 SER 30 1.024 10.622 -2.365
226 HG SER 30 HG SER 30 0.437 10.897 -4.363
227 H ASP 31 HN ASP 31 0.741 7.041 -1.473
228 HA ASP 31 HA ASP 31 2.675 6.716 0.643
229 1HB ASP 31 HB2 ASP 31 1.516 8.748 1.417
230 2HB ASP 31 HB1 ASP 31 -0.027 7.901 1.322
231 H GLY 32 HN GLY 32 2.268 4.942 1.985
232 1HA GLY 32 HA2 GLY 32 0.188 3.130 0.941
233 2HA GLY 32 HA1 GLY 32 1.741 2.596 1.566
234 H HIS 33 HN HIS 33 -1.136 2.053 2.297
235 HA HIS 33 HA HIS 33 -0.761 2.443 5.181
236 1HB HIS 33 HB2 HIS 33 -3.210 2.805 5.447
237 2HB HIS 33 HB1 HIS 33 -2.403 4.103 4.585
238 HD1 HIS 33 HD1 HIS 33 -2.735 4.014 1.870
239 HD2 HIS 33 HD2 HIS 33 -5.350 1.733 4.159
240 HE1 HIS 33 HE1 HIS 33 -4.641 3.431 0.344
241 H CYS 34 HN CYS 34 -0.989 0.658 6.298
242 HA CYS 34 HA CYS 34 -1.516 -1.817 4.969
243 1HB CYS 34 HB2 CYS 34 -1.130 -1.245 7.913
244 2HB CYS 34 HB1 CYS 34 -1.053 -2.830 7.146
245 H SER 35 HN SER 35 -3.262 -3.185 5.179
246 HA SER 35 HA SER 35 -5.726 -1.924 5.935
247 1HB SER 35 HB2 SER 35 -6.677 -4.234 5.292
248 2HB SER 35 HB1 SER 35 -5.948 -3.253 4.020
249 HG SER 35 HG SER 35 -4.141 -4.515 4.077
250 H LYS 36 HN LYS 36 -7.078 -4.306 6.866
251 HA LYS 36 HA LYS 36 -5.815 -4.665 9.495
252 1HB LYS 36 HB2 LYS 36 -7.619 -3.010 9.670
253 2HB LYS 36 HB1 LYS 36 -8.752 -4.167 8.986
254 1HG LYS 36 HG2 LYS 36 -8.480 -5.616 10.908
255 2HG LYS 36 HG1 LYS 36 -7.270 -4.523 11.583
256 1HD LYS 36 HD2 LYS 36 -10.144 -3.789 11.027
257 2HD LYS 36 HD1 LYS 36 -9.506 -4.245 12.607
258 1HE LYS 36 HE2 LYS 36 -7.961 -2.339 12.521
259 2HE LYS 36 HE1 LYS 36 -8.625 -1.879 10.954
260 1HZ LYS 36 HZ1 LYS 36 -10.527 -2.195 13.137
261 2HZ LYS 36 HZ2 LYS 36 -10.495 -1.057 11.885
262 3HZ LYS 36 HZ3 LYS 36 -9.489 -0.862 13.231
263 H ILE 37 HN ILE 37 -8.290 -5.944 7.275
264 HA ILE 37 HA ILE 37 -8.694 -8.384 8.580
265 HB ILE 37 HB ILE 37 -8.949 -7.839 5.620
266 1HG1 ILE 37 HG12 ILE 37 -11.018 -7.621 7.819
267 2HG1 ILE 37 HG11 ILE 37 -10.224 -6.253 7.046
268 1HG2 ILE 37 HG21 ILE 37 -10.624 -9.673 5.711
269 2HG2 ILE 37 HG22 ILE 37 -10.133 -9.986 7.375
270 3HG2 ILE 37 HG23 ILE 37 -8.979 -10.204 6.059
271 1HD1 ILE 37 HD11 ILE 37 -11.731 -8.236 5.402
272 2HD1 ILE 37 HD12 ILE 37 -11.372 -6.542 5.067
273 3HD1 ILE 37 HD13 ILE 37 -12.583 -6.964 6.278
274 H LEU 38 HN LEU 38 -6.887 -7.984 5.517
275 HA LEU 38 HA LEU 38 -5.423 -10.427 6.134
276 1HB LEU 38 HB2 LEU 38 -6.417 -10.018 3.862
277 2HB LEU 38 HB1 LEU 38 -5.258 -8.721 3.647
278 HG LEU 38 HG LEU 38 -3.411 -10.333 3.821
279 1HD1 LEU 38 HD11 LEU 38 -4.317 -12.811 3.497
280 2HD1 LEU 38 HD12 LEU 38 -5.639 -12.173 4.475
281 3HD1 LEU 38 HD13 LEU 38 -3.986 -12.127 5.088
282 1HD2 LEU 38 HD21 LEU 38 -5.513 -11.064 1.788
283 2HD2 LEU 38 HD22 LEU 38 -3.807 -11.502 1.696
284 3HD2 LEU 38 HD23 LEU 38 -4.288 -9.806 1.625
285 H ARG 39 HN ARG 39 -5.138 -7.136 6.494
286 HA ARG 39 HA ARG 39 -3.523 -5.716 7.169
287 1HB ARG 39 HB2 ARG 39 -3.194 -7.691 8.783
288 2HB ARG 39 HB1 ARG 39 -1.793 -8.097 7.803
289 1HG ARG 39 HG2 ARG 39 -1.003 -6.843 9.639
290 2HG ARG 39 HG1 ARG 39 -0.945 -5.774 8.236
291 1HD ARG 39 HD2 ARG 39 -3.117 -4.813 8.937
292 2HD ARG 39 HD1 ARG 39 -3.060 -5.816 10.386
293 HE ARG 39 HE ARG 39 -1.747 -3.347 9.991
294 1HH1 ARG 39 HH11 ARG 39 -1.303 -6.470 11.507
295 2HH1 ARG 39 HH12 ARG 39 -0.111 -5.906 12.628
296 1HH2 ARG 39 HH21 ARG 39 -0.179 -2.588 11.482
297 2HH2 ARG 39 HH22 ARG 39 0.534 -3.688 12.613
298 H ARG 40 HN ARG 40 -3.593 -6.529 4.416
299 HA ARG 40 HA ARG 40 -0.833 -6.688 3.553
300 1HB ARG 40 HB2 ARG 40 -2.064 -6.254 1.241
301 2HB ARG 40 HB1 ARG 40 -2.043 -7.839 1.998
302 1HG ARG 40 HG2 ARG 40 -4.253 -7.464 2.908
303 2HG ARG 40 HG1 ARG 40 -4.280 -5.838 2.215
304 1HD ARG 40 HD2 ARG 40 -4.299 -6.684 -0.003
305 2HD ARG 40 HD1 ARG 40 -3.898 -8.311 0.540
306 HE ARG 40 HE ARG 40 -6.110 -8.690 0.926
307 1HH1 ARG 40 HH11 ARG 40 -5.646 -5.239 0.493
308 2HH1 ARG 40 HH12 ARG 40 -7.340 -4.879 0.659
309 1HH2 ARG 40 HH21 ARG 40 -8.336 -8.204 1.116
310 2HH2 ARG 40 HH22 ARG 40 -8.866 -6.560 1.000
311 H CYS 41 HN CYS 41 -0.010 -5.087 1.962
312 HA CYS 41 HA CYS 41 -0.352 -2.446 3.065
313 1HB CYS 41 HB2 CYS 41 1.882 -3.274 2.659
314 2HB CYS 41 HB1 CYS 41 1.512 -3.547 0.962
315 H LEU 42 HN LEU 42 -2.041 -1.266 2.365
316 HA LEU 42 HA LEU 42 -2.846 -1.385 -0.445
317 1HB LEU 42 HB2 LEU 42 -3.998 -0.069 2.011
318 2HB LEU 42 HB1 LEU 42 -4.556 0.379 0.412
319 HG LEU 42 HG LEU 42 -5.202 -2.027 0.056
320 1HD1 LEU 42 HD11 LEU 42 -3.677 -2.468 2.307
321 2HD1 LEU 42 HD12 LEU 42 -4.782 -3.616 1.551
322 3HD1 LEU 42 HD13 LEU 42 -5.335 -2.612 2.891
323 1HD2 LEU 42 HD21 LEU 42 -6.986 -1.736 2.107
324 2HD2 LEU 42 HD22 LEU 42 -7.132 -0.992 0.514
325 3HD2 LEU 42 HD23 LEU 42 -6.434 -0.081 1.853
326 H CYS 43 HN CYS 43 -1.952 -0.016 -1.882
327 HA CYS 43 HA CYS 43 -0.556 2.334 -0.854
328 1HB CYS 43 HB2 CYS 43 -0.502 1.089 -3.608
329 2HB CYS 43 HB1 CYS 43 0.474 2.452 -3.082
330 H THR 44 HN THR 44 -1.111 4.372 -1.318
331 HA THR 44 HA THR 44 -3.439 4.766 -3.074
332 HB THR 44 HB THR 44 -3.517 6.922 -1.410
333 HG1 THR 44 HG1 THR 44 -1.951 5.885 -0.021
334 1HG2 THR 44 HG21 THR 44 -5.120 4.699 -2.039
335 2HG2 THR 44 HG22 THR 44 -5.619 6.206 -1.271
336 3HG2 THR 44 HG23 THR 44 -5.125 4.833 -0.281
337 H LYS 45 HN LYS 45 -3.329 6.374 -4.502
338 HA LYS 45 HA LYS 45 -1.437 8.509 -4.325
339 1HB LYS 45 HB2 LYS 45 0.058 7.985 -6.022
340 2HB LYS 45 HB1 LYS 45 -0.132 6.437 -5.213
341 1HG LYS 45 HG2 LYS 45 -1.633 5.667 -6.925
342 2HG LYS 45 HG1 LYS 45 -1.626 7.256 -7.695
343 1HD LYS 45 HD2 LYS 45 0.880 6.962 -7.944
344 2HD LYS 45 HD1 LYS 45 0.627 5.275 -7.490
345 1HE LYS 45 HE2 LYS 45 0.676 5.463 -9.893
346 2HE LYS 45 HE1 LYS 45 -0.953 5.040 -9.368
347 1HZ LYS 45 HZ1 LYS 45 -1.104 7.711 -9.412
348 2HZ LYS 45 HZ2 LYS 45 -1.519 6.723 -10.723
349 3HZ LYS 45 HZ3 LYS 45 0.004 7.449 -10.664
350 H GLU 46 HN GLU 46 -1.578 9.919 -6.256
351 HA GLU 46 HA GLU 46 -4.326 10.132 -7.078
352 1HB GLU 46 HB2 GLU 46 -3.432 12.203 -8.249
353 2HB GLU 46 HB1 GLU 46 -3.267 12.167 -6.497
354 1HG GLU 46 HG2 GLU 46 -0.917 11.047 -7.297
355 2HG GLU 46 HG1 GLU 46 -1.218 12.218 -8.582
356 H CYS 47 HN CYS 47 -5.169 9.721 -9.048
357 HA CYS 47 HA CYS 47 -3.741 9.571 -11.440
358 1HB CYS 47 HB2 CYS 47 -3.394 7.355 -11.896
359 2HB CYS 47 HB1 CYS 47 -3.088 7.359 -10.169