Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
489222 | 2kpz RC | 16574 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PHE 12 H PHE 12 -10.629 -6.919 -0.574
2 HA PHE 12 HA PHE 12 -13.229 -5.559 -0.967
3 HB2 PHE 12 HB2 PHE 12 -12.859 -4.639 1.293
4 HB3 PHE 12 HB1 PHE 12 -13.001 -6.391 1.313
5 HD1 PHE 12 HD2 PHE 12 -10.762 -3.543 1.807
6 HD2 PHE 12 HD1 PHE 12 -11.100 -7.787 1.865
7 HE1 PHE 12 HE2 PHE 12 -8.639 -3.690 3.038
8 HE2 PHE 12 HE1 PHE 12 -8.978 -7.938 3.102
9 HZ PHE 12 HZ PHE 12 -7.743 -5.888 3.689
10 H LEU 13 HN LEU 13 -10.185 -5.552 -1.987
11 HA LEU 13 HA LEU 13 -9.778 -2.652 -1.698
12 HB2 LEU 13 HB2 LEU 13 -7.871 -4.906 -2.297
13 HB3 LEU 13 HB1 LEU 13 -7.437 -3.220 -2.486
14 HG LEU 13 HG LEU 13 -8.316 -4.447 0.109
15 HD11 LEU 13 HD11 LEU 13 -5.962 -4.391 0.731
16 HD12 LEU 13 HD12 LEU 13 -5.544 -3.842 -0.892
17 HD13 LEU 13 HD13 LEU 13 -6.234 -5.448 -0.653
18 HD21 LEU 13 HD21 LEU 13 -7.390 -2.402 1.082
19 HD22 LEU 13 HD22 LEU 13 -8.707 -2.049 -0.037
20 HD23 LEU 13 HD23 LEU 13 -7.035 -1.799 -0.538
21 HA PRO 14 HA PRO 14 -9.992 -1.881 -6.174
22 HB2 PRO 14 HB2 PRO 14 -7.658 -0.335 -5.124
23 HB3 PRO 14 HB1 PRO 14 -8.759 0.085 -6.441
24 HG2 PRO 14 HG2 PRO 14 -9.226 1.086 -4.213
25 HG3 PRO 14 HG1 PRO 14 -10.584 0.243 -4.928
26 HD2 PRO 14 HD2 PRO 14 -8.714 -0.695 -2.749
27 HD3 PRO 14 HD1 PRO 14 -10.488 -0.835 -2.829
28 H LYS 15 HN LYS 15 -8.801 -2.183 -7.827
29 HA LYS 15 HA LYS 15 -7.477 -4.710 -7.749
30 HB2 LYS 15 HB2 LYS 15 -8.882 -3.990 -9.635
31 HB3 LYS 15 HB1 LYS 15 -7.713 -2.742 -10.035
32 HG2 LYS 15 HG2 LYS 15 -6.771 -5.557 -9.940
33 HG3 LYS 15 HG1 LYS 15 -7.781 -5.058 -11.297
34 HD2 LYS 15 HD2 LYS 15 -6.222 -3.247 -11.800
35 HD3 LYS 15 HD1 LYS 15 -5.219 -3.721 -10.430
36 HE2 LYS 15 HE2 LYS 15 -4.751 -5.855 -11.459
37 HE3 LYS 15 HE1 LYS 15 -5.852 -5.489 -12.787
38 HZ1 LYS 15 HZ1 LYS 15 -4.417 -3.703 -13.479
39 HZ2 LYS 15 HZ2 LYS 15 -3.515 -5.133 -13.377
40 HZ3 LYS 15 HZ3 LYS 15 -3.388 -3.956 -12.163
41 H GLY 16 HN GLY 16 -5.440 -5.149 -7.322
42 HA2 GLY 16 HA2 GLY 16 -3.132 -5.013 -7.495
43 HA3 GLY 16 HA1 GLY 16 -3.281 -3.459 -8.295
44 H TRP 17 HN TRP 17 -5.108 -3.591 -5.437
45 HA TRP 17 HA TRP 17 -3.065 -1.999 -4.088
46 HB2 TRP 17 HB2 TRP 17 -6.036 -2.271 -3.704
47 HB3 TRP 17 HB1 TRP 17 -5.014 -1.581 -2.446
48 HD1 TRP 17 HD1 TRP 17 -5.888 -0.900 -6.181
49 HE1 TRP 17 HE1 TRP 17 -5.618 1.628 -6.586
50 HE3 TRP 17 HE3 TRP 17 -4.052 0.477 -1.607
51 HZ2 TRP 17 HZ2 TRP 17 -4.734 3.894 -5.171
52 HZ3 TRP 17 HZ3 TRP 17 -3.513 2.847 -1.220
53 HH2 TRP 17 HH2 TRP 17 -3.846 4.519 -2.967
54 H GLU 18 HN GLU 18 -2.206 -2.476 -2.162
55 HA GLU 18 HA GLU 18 -2.789 -5.153 -1.076
56 HB2 GLU 18 HB2 GLU 18 -0.380 -4.162 -2.114
57 HB3 GLU 18 HB1 GLU 18 -0.159 -4.296 -0.392
58 HG2 GLU 18 HG2 GLU 18 -1.196 -6.666 -0.765
59 HG3 GLU 18 HG1 GLU 18 -0.650 -6.398 -2.425
60 H VAL 19 HN VAL 19 -2.658 -5.426 1.027
61 HA VAL 19 HA VAL 19 -2.115 -3.119 2.767
62 HB VAL 19 HB VAL 19 -4.006 -5.375 3.481
63 HG11 VAL 19 HG11 VAL 19 -3.439 -2.744 4.839
64 HG12 VAL 19 HG12 VAL 19 -2.894 -4.332 5.381
65 HG13 VAL 19 HG13 VAL 19 -4.616 -3.947 5.366
66 HG21 VAL 19 HG21 VAL 19 -4.692 -2.575 2.605
67 HG22 VAL 19 HG22 VAL 19 -5.833 -3.768 3.226
68 HG23 VAL 19 HG23 VAL 19 -4.999 -4.056 1.699
69 H ARG 20 HN ARG 20 0.048 -3.709 3.004
70 HA ARG 20 HA ARG 20 0.489 -6.360 4.199
71 HB2 ARG 20 HB2 ARG 20 1.550 -5.851 1.917
72 HB3 ARG 20 HB1 ARG 20 2.606 -4.750 2.799
73 HG2 ARG 20 HG2 ARG 20 3.241 -6.690 4.262
74 HG3 ARG 20 HG1 ARG 20 2.372 -7.726 3.129
75 HD2 ARG 20 HD2 ARG 20 4.704 -5.943 2.511
76 HD3 ARG 20 HD1 ARG 20 4.736 -7.700 2.609
77 HE ARG 20 HE ARG 20 2.828 -6.786 0.683
78 HH11 ARG 20 HH11 ARG 20 6.229 -7.490 1.178
79 HH12 ARG 20 HH12 ARG 20 6.567 -7.634 -0.517
80 HH21 ARG 20 HH21 ARG 20 3.280 -6.918 -1.528
81 HH22 ARG 20 HH22 ARG 20 4.905 -7.311 -2.055
82 H HIS 21 HN HIS 21 1.735 -6.524 6.011
83 HA HIS 21 HA HIS 21 2.080 -4.011 7.499
84 HB2 HIS 21 HB2 HIS 21 1.054 -6.541 8.192
85 HB3 HIS 21 HB1 HIS 21 2.614 -6.440 8.989
86 HD1 HIS 21 HD1 HIS 21 1.281 -6.598 11.173
87 HD2 HIS 21 HD2 HIS 21 0.622 -3.009 9.069
88 HE1 HIS 21 HE1 HIS 21 0.049 -5.090 12.746
89 HE2 HIS 21 HE2 HIS 21 -0.591 -3.100 11.360
90 H ALA 22 HN ALA 22 4.085 -3.193 7.318
91 HA ALA 22 HA ALA 22 6.369 -4.704 6.575
92 HB1 ALA 22 HB1 ALA 22 6.197 -1.981 7.876
93 HB2 ALA 22 HB2 ALA 22 6.188 -2.303 6.141
94 HB3 ALA 22 HB3 ALA 22 7.626 -2.663 7.099
95 HA PRO 23 HA PRO 23 7.831 -6.489 10.334
96 HB2 PRO 23 HB2 PRO 23 10.426 -5.081 10.079
97 HB3 PRO 23 HB1 PRO 23 10.086 -6.812 10.171
98 HG2 PRO 23 HG2 PRO 23 10.796 -5.681 7.861
99 HG3 PRO 23 HG1 PRO 23 9.578 -6.970 7.914
100 HD2 PRO 23 HD2 PRO 23 9.205 -4.018 7.608
101 HD3 PRO 23 HD1 PRO 23 8.347 -5.353 6.811
102 H ASN 24 HN ASN 24 7.786 -3.098 10.040
103 HA ASN 24 HA ASN 24 8.483 -2.524 12.779
104 HB2 ASN 24 HB2 ASN 24 7.653 -0.200 12.174
105 HB3 ASN 24 HB1 ASN 24 9.037 -0.782 11.259
106 HD21 ASN 24 HD21 ASN 24 8.630 0.610 9.570
107 HD22 ASN 24 HD22 ASN 24 7.329 0.369 8.461
108 H GLY 25 HN GLY 25 5.861 -3.719 11.122
109 HA2 GLY 25 HA2 GLY 25 3.879 -4.476 12.073
110 HA3 GLY 25 HA1 GLY 25 4.183 -3.440 13.447
111 H ARG 26 HN ARG 26 4.372 -2.190 10.227
112 HA ARG 26 HA ARG 26 1.785 -0.828 10.625
113 HB2 ARG 26 HB2 ARG 26 4.297 0.227 9.303
114 HB3 ARG 26 HB1 ARG 26 2.750 1.063 9.322
115 HG2 ARG 26 HG2 ARG 26 4.199 0.286 11.835
116 HG3 ARG 26 HG1 ARG 26 4.472 1.817 11.005
117 HD2 ARG 26 HD2 ARG 26 2.895 2.238 12.725
118 HD3 ARG 26 HD1 ARG 26 2.013 2.259 11.203
119 HE ARG 26 HE ARG 26 1.956 -0.299 12.533
120 HH11 ARG 26 HH11 ARG 26 0.479 2.870 12.354
121 HH12 ARG 26 HH12 ARG 26 -1.065 2.341 12.951
122 HH21 ARG 26 HH21 ARG 26 -0.076 -1.009 13.355
123 HH22 ARG 26 HH22 ARG 26 -1.373 0.132 13.524
124 HA PRO 27 HA PRO 27 0.946 -2.609 6.599
125 HB2 PRO 27 HB2 PRO 27 -1.625 -1.902 6.401
126 HB3 PRO 27 HB1 PRO 27 -1.115 -3.130 7.565
127 HG2 PRO 27 HG2 PRO 27 -1.740 -0.238 8.017
128 HG3 PRO 27 HG1 PRO 27 -2.178 -1.644 9.006
129 HD2 PRO 27 HD2 PRO 27 -0.036 -0.035 9.518
130 HD3 PRO 27 HD1 PRO 27 -0.165 -1.640 10.094
131 H PHE 28 HN PHE 28 1.884 -1.604 5.022
132 HA PHE 28 HA PHE 28 1.095 1.097 4.245
133 HB2 PHE 28 HB2 PHE 28 3.121 1.037 2.810
134 HB3 PHE 28 HB1 PHE 28 3.490 0.814 4.504
135 HD1 PHE 28 HD1 PHE 28 3.336 -1.910 5.129
136 HD2 PHE 28 HD2 PHE 28 4.466 -0.181 1.400
137 HE1 PHE 28 HE1 PHE 28 4.639 -3.919 4.594
138 HE2 PHE 28 HE2 PHE 28 5.750 -2.206 0.864
139 HZ PHE 28 HZ PHE 28 5.840 -4.074 2.455
140 H PHE 29 HN PHE 29 -0.144 1.403 2.532
141 HA PHE 29 HA PHE 29 -1.115 -0.977 1.179
142 HB2 PHE 29 HB2 PHE 29 -2.170 1.863 1.081
143 HB3 PHE 29 HB1 PHE 29 -2.943 0.438 0.385
144 HD1 PHE 29 HD1 PHE 29 -1.667 1.668 3.676
145 HD2 PHE 29 HD2 PHE 29 -4.580 -0.615 1.579
146 HE1 PHE 29 HE1 PHE 29 -2.837 1.227 5.793
147 HE2 PHE 29 HE2 PHE 29 -5.756 -1.058 3.695
148 HZ PHE 29 HZ PHE 29 -4.878 -0.148 5.805
149 H ILE 30 HN ILE 30 -0.257 -1.565 -0.652
150 HA ILE 30 HA ILE 30 1.251 0.400 -2.203
151 HB ILE 30 HB ILE 30 1.179 -2.566 -2.727
152 HG12 ILE 30 HG12 ILE 30 3.217 -1.119 -1.085
153 HG13 ILE 30 HG11 ILE 30 1.896 -2.016 -0.360
154 HG21 ILE 30 HG21 ILE 30 2.058 -1.149 -4.505
155 HG22 ILE 30 HG22 ILE 30 3.348 -2.108 -3.779
156 HG23 ILE 30 HG23 ILE 30 3.182 -0.400 -3.371
157 HD11 ILE 30 HD11 ILE 30 4.063 -3.137 -2.122
158 HD12 ILE 30 HD12 ILE 30 2.728 -4.054 -1.425
159 HD13 ILE 30 HD13 ILE 30 3.939 -3.321 -0.372
160 H ASP 31 HN ASP 31 0.685 1.037 -4.145
161 HA ASP 31 HA ASP 31 -1.541 -0.310 -5.510
162 HB2 ASP 31 HB2 ASP 31 -1.952 2.026 -5.487
163 HB3 ASP 31 HB1 ASP 31 -0.283 2.404 -5.910
164 H HIS 32 HN HIS 32 -0.916 -1.903 -6.689
165 HA HIS 32 HA HIS 32 1.843 -2.180 -7.485
166 HB2 HIS 32 HB2 HIS 32 -0.565 -3.999 -7.649
167 HB3 HIS 32 HB1 HIS 32 1.021 -4.463 -8.240
168 HD1 HIS 32 HD1 HIS 32 1.515 -6.292 -6.502
169 HD2 HIS 32 HD2 HIS 32 0.504 -2.637 -4.798
170 HE1 HIS 32 HE1 HIS 32 2.055 -6.468 -4.027
171 HE2 HIS 32 HE2 HIS 32 1.226 -4.359 -3.023
172 H ASN 33 HN ASN 33 -0.634 -0.603 -8.846
173 HA ASN 33 HA ASN 33 -0.218 -1.497 -11.581
174 HB2 ASN 33 HB2 ASN 33 -1.958 0.765 -10.576
175 HB3 ASN 33 HB1 ASN 33 -1.996 0.041 -12.179
176 HD21 ASN 33 HD21 ASN 33 -2.924 -0.253 -8.875
177 HD22 ASN 33 HD22 ASN 33 -3.963 -1.636 -9.076
178 H THR 34 HN THR 34 -0.056 1.625 -9.841
179 HA THR 34 HA THR 34 1.617 2.650 -12.023
180 HB THR 34 HB THR 34 0.357 4.291 -9.830
181 HG1 THR 34 HG1 THR 34 -1.482 3.597 -10.654
182 HG21 THR 34 HG21 THR 34 0.405 6.063 -11.522
183 HG22 THR 34 HG22 THR 34 1.117 4.943 -12.684
184 HG23 THR 34 HG23 THR 34 2.021 5.414 -11.244
185 H LYS 35 HN LYS 35 2.351 1.011 -9.467
186 HA LYS 35 HA LYS 35 4.273 0.737 -8.261
187 HB2 LYS 35 HB2 LYS 35 5.282 3.156 -9.756
188 HB3 LYS 35 HB1 LYS 35 6.262 2.008 -8.870
189 HG2 LYS 35 HG2 LYS 35 4.589 1.167 -11.208
190 HG3 LYS 35 HG1 LYS 35 6.205 1.842 -11.414
191 HD2 LYS 35 HD2 LYS 35 7.066 0.080 -9.885
192 HD3 LYS 35 HD1 LYS 35 5.453 -0.636 -9.876
193 HE2 LYS 35 HE2 LYS 35 5.565 -0.984 -12.271
194 HE3 LYS 35 HE1 LYS 35 7.134 -0.184 -12.337
195 HZ1 LYS 35 HZ1 LYS 35 7.479 -2.526 -12.359
196 HZ2 LYS 35 HZ2 LYS 35 6.495 -2.751 -10.998
197 HZ3 LYS 35 HZ3 LYS 35 7.984 -1.948 -10.844
198 H THR 36 HN THR 36 2.076 2.631 -7.410
199 HA THR 36 HA THR 36 3.622 4.649 -5.943
200 HB THR 36 HB THR 36 1.419 5.733 -5.490
201 HG1 THR 36 HG1 THR 36 0.433 3.768 -7.322
202 HG21 THR 36 HG21 THR 36 1.076 6.573 -7.771
203 HG22 THR 36 HG22 THR 36 2.055 5.249 -8.403
204 HG23 THR 36 HG23 THR 36 2.788 6.473 -7.367
205 H THR 37 HN THR 37 3.331 4.948 -3.686
206 HA THR 37 HA THR 37 1.979 2.746 -2.290
207 HB THR 37 HB THR 37 3.928 2.947 -0.599
208 HG1 THR 37 HG1 THR 37 5.876 3.617 -1.510
209 HG21 THR 37 HG21 THR 37 4.338 1.636 -3.288
210 HG22 THR 37 HG22 THR 37 3.462 0.947 -1.920
211 HG23 THR 37 HG23 THR 37 5.201 1.230 -1.804
212 H THR 38 HN THR 38 1.008 3.273 -0.354
213 HA THR 38 HA THR 38 1.354 5.934 0.745
214 HB THR 38 HB THR 38 -0.335 6.322 -0.980
215 HG1 THR 38 HG1 THR 38 -2.105 6.899 0.620
216 HG21 THR 38 HG21 THR 38 -1.259 4.057 -1.128
217 HG22 THR 38 HG22 THR 38 -2.530 5.254 -0.865
218 HG23 THR 38 HG23 THR 38 -1.977 4.245 0.472
219 H TRP 39 HN TRP 39 0.510 6.148 2.879
220 HA TRP 39 HA TRP 39 0.241 3.583 4.245
221 HB2 TRP 39 HB2 TRP 39 0.307 6.355 5.446
222 HB3 TRP 39 HB1 TRP 39 0.494 4.829 6.302
223 HD1 TRP 39 HD1 TRP 39 2.376 7.340 4.204
224 HE1 TRP 39 HE1 TRP 39 4.900 6.769 4.277
225 HE3 TRP 39 HE3 TRP 39 2.091 2.790 6.498
226 HZ2 TRP 39 HZ2 TRP 39 6.536 4.633 5.209
227 HZ3 TRP 39 HZ3 TRP 39 4.156 1.548 6.951
228 HH2 TRP 39 HH2 TRP 39 6.331 2.444 6.321
229 H GLU 40 HN GLU 40 -1.747 5.857 2.866
230 HA GLU 40 HA GLU 40 -3.814 5.615 4.902
231 HB2 GLU 40 HB2 GLU 40 -4.895 7.476 3.810
232 HB3 GLU 40 HB1 GLU 40 -3.199 7.850 4.081
233 HG2 GLU 40 HG2 GLU 40 -3.626 8.693 1.984
234 HG3 GLU 40 HG1 GLU 40 -2.840 7.153 1.654
235 H ASP 41 HN ASP 41 -6.078 5.272 4.087
236 HA ASP 41 HA ASP 41 -5.923 2.946 2.285
237 HB2 ASP 41 HB2 ASP 41 -6.196 2.259 4.599
238 HB3 ASP 41 HB1 ASP 41 -7.583 3.325 4.780
239 HA PRO 42 HA PRO 42 -8.953 5.207 -0.140
240 HB2 PRO 42 HB2 PRO 42 -9.332 3.140 -1.912
241 HB3 PRO 42 HB1 PRO 42 -8.018 4.312 -2.033
242 HG2 PRO 42 HG2 PRO 42 -7.991 1.547 -0.892
243 HG3 PRO 42 HG1 PRO 42 -6.786 2.350 -1.917
244 HD2 PRO 42 HD2 PRO 42 -6.434 2.108 0.731
245 HD3 PRO 42 HD1 PRO 42 -5.900 3.558 -0.146
246 H ARG 43 HN ARG 43 -9.247 2.207 1.528
247 HA ARG 43 HA ARG 43 -12.022 1.755 0.936
248 HB2 ARG 43 HB2 ARG 43 -10.747 -0.170 1.443
249 HB3 ARG 43 HB1 ARG 43 -10.049 0.568 2.874
250 HG2 ARG 43 HG2 ARG 43 -12.301 0.496 3.928
251 HG3 ARG 43 HG1 ARG 43 -12.869 -0.418 2.528
252 HD2 ARG 43 HD2 ARG 43 -12.246 -1.873 4.417
253 HD3 ARG 43 HD1 ARG 43 -11.274 -2.174 2.977
254 HE ARG 43 HE ARG 43 -9.765 -0.399 4.380
255 HH11 ARG 43 HH11 ARG 43 -11.288 -3.446 5.202
256 HH12 ARG 43 HH12 ARG 43 -10.060 -3.895 6.352
257 HH21 ARG 43 HH21 ARG 43 -8.153 -0.997 5.903
258 HH22 ARG 43 HH22 ARG 43 -8.294 -2.510 6.745
259 H LEU 44 HN LEU 44 -10.250 3.629 3.236
260 HA LEU 44 HA LEU 44 -12.349 3.748 5.175
261 HB2 LEU 44 HB2 LEU 44 -9.823 5.348 4.882
262 HB3 LEU 44 HB1 LEU 44 -10.945 5.550 6.213
263 HG LEU 44 HG LEU 44 -9.395 3.040 5.577
264 HD11 LEU 44 HD11 LEU 44 -8.202 3.532 7.652
265 HD12 LEU 44 HD12 LEU 44 -9.105 5.039 7.814
266 HD13 LEU 44 HD13 LEU 44 -7.992 4.819 6.464
267 HD21 LEU 44 HD21 LEU 44 -11.261 3.664 7.861
268 HD22 LEU 44 HD22 LEU 44 -10.271 2.212 7.704
269 HD23 LEU 44 HD23 LEU 44 -11.567 2.526 6.547
270 H LYS 45 HN LYS 45 -11.907 5.120 2.273
271 HA LYS 45 HA LYS 45 -13.461 7.526 2.908
272 HB2 LYS 45 HB2 LYS 45 -11.252 7.568 1.530
273 HB3 LYS 45 HB1 LYS 45 -12.236 6.928 0.224
274 HG2 LYS 45 HG2 LYS 45 -13.004 9.440 1.665
275 HG3 LYS 45 HG1 LYS 45 -11.842 9.455 0.342
276 HD2 LYS 45 HD2 LYS 45 -14.653 8.372 0.147
277 HD3 LYS 45 HD1 LYS 45 -14.164 9.989 -0.361
278 HE2 LYS 45 HE2 LYS 45 -13.746 9.095 -2.359
279 HE3 LYS 45 HE1 LYS 45 -12.342 8.335 -1.613
280 HZ1 LYS 45 HZ1 LYS 45 -15.022 7.168 -2.077
281 HZ2 LYS 45 HZ2 LYS 45 -13.911 6.463 -1.009
282 HZ3 LYS 45 HZ3 LYS 45 -13.525 6.613 -2.656
283 H GLN 112 H GLN 112 8.701 10.376 4.369
284 HA GLN 112 HA GLN 112 8.609 8.490 5.846
285 HB2 GLN 112 HB2 GLN 112 6.895 9.460 7.369
286 HB3 GLN 112 HB1 GLN 112 5.681 9.211 6.125
287 HG2 GLN 112 HG2 GLN 112 5.970 6.821 6.262
288 HG3 GLN 112 HG1 GLN 112 7.281 7.018 7.424
289 HE21 GLN 112 HE21 GLN 112 5.928 9.208 8.811
290 HE22 GLN 112 HE22 GLN 112 4.661 8.483 9.734
291 H ILE 113 HN ILE 113 9.028 7.140 4.204
292 HA ILE 113 HA ILE 113 7.098 7.064 1.988
293 HB ILE 113 HB ILE 113 8.905 6.245 0.543
294 HG12 ILE 113 HG12 ILE 113 10.304 5.280 2.448
295 HG13 ILE 113 HG11 ILE 113 11.182 6.125 1.182
296 HG21 ILE 113 HG21 ILE 113 9.487 8.845 1.942
297 HG22 ILE 113 HG22 ILE 113 8.390 8.597 0.584
298 HG23 ILE 113 HG23 ILE 113 10.126 8.368 0.370
299 HD11 ILE 113 HD11 ILE 113 10.481 7.240 3.890
300 HD12 ILE 113 HD12 ILE 113 11.372 8.086 2.624
301 HD13 ILE 113 HD13 ILE 113 12.064 6.651 3.382
302 HA PRO 114 HA PRO 114 6.491 2.776 3.081
303 HB2 PRO 114 HB2 PRO 114 4.388 2.363 1.427
304 HB3 PRO 114 HB1 PRO 114 4.248 3.183 2.983
305 HG2 PRO 114 HG2 PRO 114 4.168 4.293 0.254
306 HG3 PRO 114 HG1 PRO 114 3.467 4.925 1.750
307 HD2 PRO 114 HD2 PRO 114 5.848 5.773 0.471
308 HD3 PRO 114 HD1 PRO 114 5.234 6.282 2.058
309 HA PRO 115 HA PRO 115 9.014 0.922 -0.186
310 HB2 PRO 115 HB2 PRO 115 7.909 -1.524 1.095
311 HB3 PRO 115 HB1 PRO 115 9.575 -1.119 0.700
312 HG2 PRO 115 HG2 PRO 115 8.715 -1.019 3.208
313 HG3 PRO 115 HG1 PRO 115 9.846 0.199 2.585
314 HD2 PRO 115 HD2 PRO 115 6.920 0.421 3.120
315 HD3 PRO 115 HD1 PRO 115 8.208 1.632 3.302
316 HA PRO 116 HA PRO 116 5.901 -0.067 -3.343
317 HB2 PRO 116 HB2 PRO 116 7.990 -1.172 -4.886
318 HB3 PRO 116 HB1 PRO 116 7.312 0.458 -5.037
319 HG2 PRO 116 HG2 PRO 116 9.649 -0.490 -3.437
320 HG3 PRO 116 HG1 PRO 116 9.489 0.973 -4.446
321 HD2 PRO 116 HD2 PRO 116 9.167 1.274 -1.942
322 HD3 PRO 116 HD1 PRO 116 7.904 1.896 -2.976
323 H TYR 117 HN TYR 117 5.986 -1.595 -4.703
324 HA TYR 117 HA TYR 117 5.639 -4.226 -3.413
325 HB2 TYR 117 HB2 TYR 117 3.917 -4.677 -4.881
326 HB3 TYR 117 HB1 TYR 117 3.819 -2.924 -4.810
327 HD1 TYR 117 HD1 TYR 117 4.532 -1.554 -6.753
328 HD2 TYR 117 HD2 TYR 117 4.615 -5.815 -6.867
329 HE1 TYR 117 HE1 TYR 117 4.756 -1.492 -9.197
330 HE2 TYR 117 HE2 TYR 117 4.847 -5.753 -9.306
331 HH TYR 117 HH TYR 117 4.477 -4.333 -11.151
332 H VAL 118 HN VAL 118 6.697 -6.048 -4.020
333 HA VAL 118 HA VAL 118 8.577 -5.835 -6.277
334 HB VAL 118 HB VAL 118 8.522 -7.916 -4.076
335 HG11 VAL 118 HG11 VAL 118 10.594 -7.312 -6.182
336 HG12 VAL 118 HG12 VAL 118 9.532 -8.718 -6.139
337 HG13 VAL 118 HG13 VAL 118 10.758 -8.500 -4.891
338 HG21 VAL 118 HG21 VAL 118 9.060 -5.718 -3.168
339 HG22 VAL 118 HG22 VAL 118 10.319 -5.512 -4.387
340 HG23 VAL 118 HG23 VAL 118 10.477 -6.767 -3.156
341 H GLU 119 HN GLU 119 6.151 -7.864 -4.768
342 HA GLU 119 HA GLU 119 5.906 -9.562 -7.111
343 HB2 GLU 119 HB2 GLU 119 4.101 -10.660 -5.646
344 HB3 GLU 119 HB1 GLU 119 5.771 -10.809 -5.129
345 HG2 GLU 119 HG2 GLU 119 3.941 -8.686 -4.049
346 HG3 GLU 119 HG1 GLU 119 4.039 -10.293 -3.336
347 HA PRO 120 HA PRO 120 2.867 -6.953 -8.978
348 HB2 PRO 120 HB2 PRO 120 1.758 -8.879 -10.619
349 HB3 PRO 120 HB1 PRO 120 3.217 -7.955 -10.990
350 HG2 PRO 120 HG2 PRO 120 2.943 -10.715 -9.891
351 HG3 PRO 120 HG1 PRO 120 4.109 -10.087 -11.069
352 HD2 PRO 120 HD2 PRO 120 4.776 -10.521 -8.500
353 HD3 PRO 120 HD1 PRO 120 5.463 -9.173 -9.429
Start of MODEL 2
1 H PHE 12 H PHE 12 -11.643 -7.725 -1.932
2 HA PHE 12 HA PHE 12 -13.223 -6.411 -0.765
3 HB2 PHE 12 HB2 PHE 12 -12.732 -7.530 1.452
4 HB3 PHE 12 HB1 PHE 12 -11.319 -6.491 1.583
5 HD1 PHE 12 HD2 PHE 12 -15.015 -6.394 1.220
6 HD2 PHE 12 HD1 PHE 12 -11.502 -4.385 2.543
7 HE1 PHE 12 HE2 PHE 12 -16.409 -4.656 2.264
8 HE2 PHE 12 HE1 PHE 12 -12.889 -2.643 3.589
9 HZ PHE 12 HZ PHE 12 -15.346 -2.775 3.450
10 H LEU 13 HN LEU 13 -10.162 -6.447 -1.771
11 HA LEU 13 HA LEU 13 -9.813 -3.540 -1.527
12 HB2 LEU 13 HB2 LEU 13 -7.824 -5.776 -1.468
13 HB3 LEU 13 HB1 LEU 13 -7.335 -4.210 -2.079
14 HG LEU 13 HG LEU 13 -6.673 -4.345 0.203
15 HD11 LEU 13 HD11 LEU 13 -9.142 -2.636 -0.027
16 HD12 LEU 13 HD12 LEU 13 -7.504 -2.181 -0.497
17 HD13 LEU 13 HD13 LEU 13 -7.885 -2.469 1.200
18 HD21 LEU 13 HD21 LEU 13 -8.245 -4.733 2.035
19 HD22 LEU 13 HD22 LEU 13 -8.136 -6.124 0.955
20 HD23 LEU 13 HD23 LEU 13 -9.527 -5.042 0.862
21 HA PRO 14 HA PRO 14 -10.085 -3.029 -5.961
22 HB2 PRO 14 HB2 PRO 14 -7.988 -1.099 -5.079
23 HB3 PRO 14 HB1 PRO 14 -9.211 -0.902 -6.338
24 HG2 PRO 14 HG2 PRO 14 -9.689 0.087 -4.104
25 HG3 PRO 14 HG1 PRO 14 -10.941 -0.967 -4.725
26 HD2 PRO 14 HD2 PRO 14 -8.840 -1.559 -2.639
27 HD3 PRO 14 HD1 PRO 14 -10.574 -1.966 -2.608
28 H LYS 15 HN LYS 15 -8.987 -3.182 -7.672
29 HA LYS 15 HA LYS 15 -7.288 -5.419 -7.816
30 HB2 LYS 15 HB2 LYS 15 -8.631 -4.860 -9.716
31 HB3 LYS 15 HB1 LYS 15 -7.876 -3.277 -9.859
32 HG2 LYS 15 HG2 LYS 15 -5.762 -4.331 -10.474
33 HG3 LYS 15 HG1 LYS 15 -6.500 -5.923 -10.306
34 HD2 LYS 15 HD2 LYS 15 -8.026 -5.453 -12.118
35 HD3 LYS 15 HD1 LYS 15 -7.424 -3.798 -12.235
36 HE2 LYS 15 HE2 LYS 15 -5.681 -6.225 -12.626
37 HE3 LYS 15 HE1 LYS 15 -6.523 -5.419 -13.948
38 HZ1 LYS 15 HZ1 LYS 15 -4.139 -4.741 -13.554
39 HZ2 LYS 15 HZ2 LYS 15 -4.671 -3.973 -12.137
40 HZ3 LYS 15 HZ3 LYS 15 -5.264 -3.474 -13.645
41 H GLY 16 HN GLY 16 -5.231 -5.632 -7.321
42 HA2 GLY 16 HA2 GLY 16 -2.951 -5.275 -7.516
43 HA3 GLY 16 HA1 GLY 16 -3.271 -3.750 -8.321
44 H TRP 17 HN TRP 17 -5.090 -3.800 -5.545
45 HA TRP 17 HA TRP 17 -3.145 -2.121 -4.172
46 HB2 TRP 17 HB2 TRP 17 -6.071 -2.664 -3.755
47 HB3 TRP 17 HB1 TRP 17 -5.107 -1.854 -2.527
48 HD1 TRP 17 HD1 TRP 17 -6.204 -1.354 -6.215
49 HE1 TRP 17 HE1 TRP 17 -6.344 1.175 -6.646
50 HE3 TRP 17 HE3 TRP 17 -4.292 0.347 -1.764
51 HZ2 TRP 17 HZ2 TRP 17 -5.683 3.571 -5.309
52 HZ3 TRP 17 HZ3 TRP 17 -4.074 2.776 -1.441
53 HH2 TRP 17 HH2 TRP 17 -4.753 4.352 -3.179
54 H GLU 18 HN GLU 18 -1.895 -2.825 -2.664
55 HA GLU 18 HA GLU 18 -2.462 -5.427 -1.423
56 HB2 GLU 18 HB2 GLU 18 -0.164 -4.340 -2.589
57 HB3 GLU 18 HB1 GLU 18 0.172 -4.452 -0.884
58 HG2 GLU 18 HG2 GLU 18 -0.901 -6.748 -2.483
59 HG3 GLU 18 HG1 GLU 18 0.823 -6.417 -2.318
60 H VAL 19 HN VAL 19 -2.150 -5.693 0.709
61 HA VAL 19 HA VAL 19 -1.826 -3.310 2.398
62 HB VAL 19 HB VAL 19 -3.802 -5.469 3.133
63 HG11 VAL 19 HG11 VAL 19 -4.556 -3.857 4.790
64 HG12 VAL 19 HG12 VAL 19 -3.386 -2.679 4.198
65 HG13 VAL 19 HG13 VAL 19 -2.824 -4.164 4.967
66 HG21 VAL 19 HG21 VAL 19 -5.605 -3.924 2.522
67 HG22 VAL 19 HG22 VAL 19 -4.646 -4.400 1.120
68 HG23 VAL 19 HG23 VAL 19 -4.415 -2.813 1.850
69 H ARG 20 HN ARG 20 0.274 -3.939 2.861
70 HA ARG 20 HA ARG 20 0.494 -6.504 4.281
71 HB2 ARG 20 HB2 ARG 20 1.711 -6.217 2.035
72 HB3 ARG 20 HB1 ARG 20 2.795 -5.146 2.917
73 HG2 ARG 20 HG2 ARG 20 3.404 -6.934 4.421
74 HG3 ARG 20 HG1 ARG 20 2.233 -8.010 3.652
75 HD2 ARG 20 HD2 ARG 20 4.641 -6.773 2.368
76 HD3 ARG 20 HD1 ARG 20 4.470 -8.465 2.831
77 HE ARG 20 HE ARG 20 2.425 -7.515 1.012
78 HH11 ARG 20 HH11 ARG 20 5.640 -8.913 1.191
79 HH12 ARG 20 HH12 ARG 20 5.520 -9.673 -0.369
80 HH21 ARG 20 HH21 ARG 20 2.252 -8.525 -0.969
81 HH22 ARG 20 HH22 ARG 20 3.574 -9.480 -1.591
82 H HIS 21 HN HIS 21 1.852 -6.585 6.068
83 HA HIS 21 HA HIS 21 1.946 -3.981 7.465
84 HB2 HIS 21 HB2 HIS 21 0.751 -6.404 8.168
85 HB3 HIS 21 HB1 HIS 21 2.240 -6.385 9.095
86 HD1 HIS 21 HD1 HIS 21 0.809 -6.383 11.183
87 HD2 HIS 21 HD2 HIS 21 0.358 -2.861 8.903
88 HE1 HIS 21 HE1 HIS 21 -0.414 -4.759 12.647
89 HE2 HIS 21 HE2 HIS 21 -0.842 -2.754 11.196
90 H ALA 22 HN ALA 22 3.963 -3.197 7.398
91 HA ALA 22 HA ALA 22 6.272 -4.732 6.872
92 HB1 ALA 22 HB1 ALA 22 7.502 -2.679 7.353
93 HB2 ALA 22 HB2 ALA 22 6.056 -1.970 8.074
94 HB3 ALA 22 HB3 ALA 22 6.090 -2.345 6.350
95 HA PRO 23 HA PRO 23 7.617 -6.346 10.755
96 HB2 PRO 23 HB2 PRO 23 10.165 -4.830 10.569
97 HB3 PRO 23 HB1 PRO 23 9.899 -6.566 10.754
98 HG2 PRO 23 HG2 PRO 23 10.677 -5.566 8.418
99 HG3 PRO 23 HG1 PRO 23 9.482 -6.876 8.488
100 HD2 PRO 23 HD2 PRO 23 9.060 -3.951 8.006
101 HD3 PRO 23 HD1 PRO 23 8.274 -5.344 7.235
102 H ASN 24 HN ASN 24 7.565 -2.943 10.349
103 HA ASN 24 HA ASN 24 8.040 -2.308 13.122
104 HB2 ASN 24 HB2 ASN 24 7.320 0.013 12.410
105 HB3 ASN 24 HB1 ASN 24 8.750 -0.615 11.602
106 HD21 ASN 24 HD21 ASN 24 8.476 0.810 9.895
107 HD22 ASN 24 HD22 ASN 24 7.253 0.585 8.693
108 H GLY 25 HN GLY 25 5.567 -3.540 11.295
109 HA2 GLY 25 HA2 GLY 25 3.517 -4.277 12.095
110 HA3 GLY 25 HA1 GLY 25 3.717 -3.229 13.479
111 H ARG 26 HN ARG 26 4.145 -1.985 10.276
112 HA ARG 26 HA ARG 26 1.534 -0.616 10.459
113 HB2 ARG 26 HB2 ARG 26 4.120 0.328 9.200
114 HB3 ARG 26 HB1 ARG 26 2.597 1.193 9.102
115 HG2 ARG 26 HG2 ARG 26 4.038 0.573 11.673
116 HG3 ARG 26 HG1 ARG 26 4.194 2.085 10.783
117 HD2 ARG 26 HD2 ARG 26 2.613 2.513 12.474
118 HD3 ARG 26 HD1 ARG 26 1.677 2.312 10.996
119 HE ARG 26 HE ARG 26 1.787 -0.177 12.213
120 HH11 ARG 26 HH11 ARG 26 0.579 3.003 13.037
121 HH12 ARG 26 HH12 ARG 26 -0.743 2.400 13.990
122 HH21 ARG 26 HH21 ARG 26 0.079 -0.975 13.495
123 HH22 ARG 26 HH22 ARG 26 -1.011 0.133 14.275
124 HA PRO 27 HA PRO 27 0.889 -2.597 6.478
125 HB2 PRO 27 HB2 PRO 27 -1.652 -1.847 6.091
126 HB3 PRO 27 HB1 PRO 27 -1.239 -3.044 7.318
127 HG2 PRO 27 HG2 PRO 27 -1.868 -0.143 7.634
128 HG3 PRO 27 HG1 PRO 27 -2.340 -1.511 8.661
129 HD2 PRO 27 HD2 PRO 27 -0.226 0.148 9.177
130 HD3 PRO 27 HD1 PRO 27 -0.394 -1.412 9.856
131 H PHE 28 HN PHE 28 1.802 -1.758 4.799
132 HA PHE 28 HA PHE 28 1.119 0.939 3.912
133 HB2 PHE 28 HB2 PHE 28 3.200 0.831 2.577
134 HB3 PHE 28 HB1 PHE 28 3.500 0.628 4.291
135 HD1 PHE 28 HD1 PHE 28 3.390 -2.050 4.984
136 HD2 PHE 28 HD2 PHE 28 4.503 -0.439 1.202
137 HE1 PHE 28 HE1 PHE 28 4.701 -4.067 4.510
138 HE2 PHE 28 HE2 PHE 28 5.805 -2.470 0.726
139 HZ PHE 28 HZ PHE 28 5.903 -4.282 2.380
140 H PHE 29 HN PHE 29 -0.172 1.144 2.247
141 HA PHE 29 HA PHE 29 -1.017 -1.239 0.828
142 HB2 PHE 29 HB2 PHE 29 -2.116 1.582 0.673
143 HB3 PHE 29 HB1 PHE 29 -2.844 0.128 -0.010
144 HD1 PHE 29 HD2 PHE 29 -1.698 1.447 3.300
145 HD2 PHE 29 HD1 PHE 29 -4.525 -0.879 1.136
146 HE1 PHE 29 HE2 PHE 29 -2.979 1.088 5.367
147 HE2 PHE 29 HE1 PHE 29 -5.813 -1.239 3.202
148 HZ PHE 29 HZ PHE 29 -5.038 -0.260 5.321
149 H ILE 30 HN ILE 30 -0.152 -1.745 -1.028
150 HA ILE 30 HA ILE 30 1.270 0.348 -2.509
151 HB ILE 30 HB ILE 30 1.578 -2.606 -2.998
152 HG12 ILE 30 HG12 ILE 30 3.329 -0.922 -1.249
153 HG13 ILE 30 HG11 ILE 30 2.087 -1.979 -0.598
154 HG21 ILE 30 HG21 ILE 30 3.729 -1.896 -3.938
155 HG22 ILE 30 HG22 ILE 30 3.348 -0.220 -3.540
156 HG23 ILE 30 HG23 ILE 30 2.379 -1.085 -4.733
157 HD11 ILE 30 HD11 ILE 30 4.467 -2.826 -2.235
158 HD12 ILE 30 HD12 ILE 30 3.217 -3.898 -1.604
159 HD13 ILE 30 HD13 ILE 30 4.273 -3.025 -0.493
160 H ASP 31 HN ASP 31 0.700 0.887 -4.451
161 HA ASP 31 HA ASP 31 -1.472 -0.509 -5.814
162 HB2 ASP 31 HB2 ASP 31 -1.825 1.757 -6.135
163 HB3 ASP 31 HB1 ASP 31 -0.101 2.124 -6.181
164 H HIS 32 HN HIS 32 -0.959 -2.205 -6.912
165 HA HIS 32 HA HIS 32 1.779 -2.584 -7.844
166 HB2 HIS 32 HB2 HIS 32 -0.554 -4.476 -7.488
167 HB3 HIS 32 HB1 HIS 32 0.972 -4.966 -8.205
168 HD1 HIS 32 HD1 HIS 32 1.629 -6.594 -6.302
169 HD2 HIS 32 HD2 HIS 32 0.893 -2.704 -5.019
170 HE1 HIS 32 HE1 HIS 32 2.437 -6.465 -3.906
171 HE2 HIS 32 HE2 HIS 32 1.771 -4.197 -3.117
172 H ASN 33 HN ASN 33 -0.919 -1.257 -9.097
173 HA ASN 33 HA ASN 33 -0.766 -2.475 -11.728
174 HB2 ASN 33 HB2 ASN 33 -2.228 0.068 -10.996
175 HB3 ASN 33 HB1 ASN 33 -2.507 -0.967 -12.390
176 HD21 ASN 33 HD21 ASN 33 -3.036 -0.474 -9.027
177 HD22 ASN 33 HD22 ASN 33 -4.230 -1.727 -8.817
178 H THR 34 HN THR 34 0.615 0.130 -9.976
179 HA THR 34 HA THR 34 2.119 0.890 -12.370
180 HB THR 34 HB THR 34 1.033 2.911 -10.397
181 HG1 THR 34 HG1 THR 34 -0.416 1.725 -12.044
182 HG21 THR 34 HG21 THR 34 3.128 3.591 -11.467
183 HG22 THR 34 HG22 THR 34 1.774 4.552 -12.059
184 HG23 THR 34 HG23 THR 34 2.432 3.251 -13.051
185 H LYS 35 HN LYS 35 2.152 2.158 -9.027
186 HA LYS 35 HA LYS 35 4.312 0.781 -8.001
187 HB2 LYS 35 HB2 LYS 35 6.163 2.492 -8.318
188 HB3 LYS 35 HB1 LYS 35 5.776 1.503 -9.715
189 HG2 LYS 35 HG2 LYS 35 6.131 3.703 -10.496
190 HG3 LYS 35 HG1 LYS 35 4.395 3.414 -10.573
191 HD2 LYS 35 HD2 LYS 35 4.071 4.674 -8.517
192 HD3 LYS 35 HD1 LYS 35 5.813 4.917 -8.369
193 HE2 LYS 35 HE2 LYS 35 4.144 5.876 -10.686
194 HE3 LYS 35 HE1 LYS 35 4.591 6.873 -9.301
195 HZ1 LYS 35 HZ1 LYS 35 6.914 6.575 -9.859
196 HZ2 LYS 35 HZ2 LYS 35 6.077 7.206 -11.193
197 HZ3 LYS 35 HZ3 LYS 35 6.506 5.567 -11.167
198 H THR 36 HN THR 36 1.889 2.246 -7.200
199 HA THR 36 HA THR 36 2.913 4.684 -5.930
200 HB THR 36 HB THR 36 0.059 3.860 -5.690
201 HG1 THR 36 HG1 THR 36 0.353 3.566 -7.886
202 HG21 THR 36 HG21 THR 36 -0.307 6.276 -5.886
203 HG22 THR 36 HG22 THR 36 1.424 6.515 -6.121
204 HG23 THR 36 HG23 THR 36 0.820 5.893 -4.585
205 H THR 37 HN THR 37 2.581 5.116 -3.687
206 HA THR 37 HA THR 37 2.014 2.776 -2.030
207 HB THR 37 HB THR 37 4.039 3.388 -0.602
208 HG1 THR 37 HG1 THR 37 5.747 4.394 -1.829
209 HG21 THR 37 HG21 THR 37 5.556 2.029 -1.969
210 HG22 THR 37 HG22 THR 37 4.486 2.234 -3.357
211 HG23 THR 37 HG23 THR 37 3.928 1.351 -1.935
212 H THR 38 HN THR 38 0.915 3.220 -0.225
213 HA THR 38 HA THR 38 0.989 5.877 0.964
214 HB THR 38 HB THR 38 -0.775 6.128 -0.699
215 HG1 THR 38 HG1 THR 38 -2.627 6.203 1.027
216 HG21 THR 38 HG21 THR 38 -2.795 4.737 -0.650
217 HG22 THR 38 HG22 THR 38 -2.074 3.732 0.608
218 HG23 THR 38 HG23 THR 38 -1.362 3.773 -1.005
219 H TRP 39 HN TRP 39 0.230 5.869 3.171
220 HA TRP 39 HA TRP 39 0.137 3.188 4.339
221 HB2 TRP 39 HB2 TRP 39 0.078 5.840 5.781
222 HB3 TRP 39 HB1 TRP 39 0.355 4.256 6.492
223 HD1 TRP 39 HD1 TRP 39 2.059 7.080 4.720
224 HE1 TRP 39 HE1 TRP 39 4.619 6.629 4.688
225 HE3 TRP 39 HE3 TRP 39 2.056 2.250 6.369
226 HZ2 TRP 39 HZ2 TRP 39 6.374 4.483 5.291
227 HZ3 TRP 39 HZ3 TRP 39 4.197 1.071 6.620
228 HH2 TRP 39 HH2 TRP 39 6.305 2.164 6.091
229 H GLU 40 HN GLU 40 -1.970 5.540 3.254
230 HA GLU 40 HA GLU 40 -3.932 4.967 5.315
231 HB2 GLU 40 HB2 GLU 40 -5.174 6.898 4.402
232 HB3 GLU 40 HB1 GLU 40 -3.541 7.282 4.942
233 HG2 GLU 40 HG2 GLU 40 -3.881 8.498 2.999
234 HG3 GLU 40 HG1 GLU 40 -2.830 7.164 2.546
235 H ASP 41 HN ASP 41 -6.229 4.719 4.554
236 HA ASP 41 HA ASP 41 -6.003 2.297 2.916
237 HB2 ASP 41 HB2 ASP 41 -6.708 2.265 5.371
238 HB3 ASP 41 HB1 ASP 41 -8.202 3.007 4.851
239 HA PRO 42 HA PRO 42 -8.556 4.243 -0.218
240 HB2 PRO 42 HB2 PRO 42 -9.085 1.995 -1.659
241 HB3 PRO 42 HB1 PRO 42 -7.545 2.857 -1.744
242 HG2 PRO 42 HG2 PRO 42 -8.263 0.422 -0.150
243 HG3 PRO 42 HG1 PRO 42 -6.816 0.726 -1.130
244 HD2 PRO 42 HD2 PRO 42 -6.780 0.994 1.546
245 HD3 PRO 42 HD1 PRO 42 -5.851 2.081 0.492
246 H ARG 43 HN ARG 43 -9.505 1.799 1.991
247 HA ARG 43 HA ARG 43 -12.287 1.726 1.227
248 HB2 ARG 43 HB2 ARG 43 -11.664 -0.219 2.264
249 HB3 ARG 43 HB1 ARG 43 -10.570 0.582 3.370
250 HG2 ARG 43 HG2 ARG 43 -12.544 1.398 4.637
251 HG3 ARG 43 HG1 ARG 43 -13.567 0.428 3.571
252 HD2 ARG 43 HD2 ARG 43 -12.881 -0.623 5.786
253 HD3 ARG 43 HD1 ARG 43 -12.639 -1.587 4.327
254 HE ARG 43 HE ARG 43 -10.270 -0.213 4.761
255 HH11 ARG 43 HH11 ARG 43 -12.204 -2.585 6.478
256 HH12 ARG 43 HH12 ARG 43 -10.824 -3.332 7.229
257 HH21 ARG 43 HH21 ARG 43 -8.469 -1.185 5.746
258 HH22 ARG 43 HH22 ARG 43 -8.706 -2.546 6.822
259 H LEU 44 HN LEU 44 -10.268 3.796 2.969
260 HA LEU 44 HA LEU 44 -12.322 5.016 4.545
261 HB2 LEU 44 HB2 LEU 44 -9.507 5.840 3.897
262 HB3 LEU 44 HB1 LEU 44 -10.575 6.828 4.871
263 HG LEU 44 HG LEU 44 -9.770 4.012 5.577
264 HD11 LEU 44 HD11 LEU 44 -8.323 5.043 7.258
265 HD12 LEU 44 HD12 LEU 44 -8.721 6.637 6.616
266 HD13 LEU 44 HD13 LEU 44 -7.831 5.483 5.622
267 HD21 LEU 44 HD21 LEU 44 -11.908 4.691 6.519
268 HD22 LEU 44 HD22 LEU 44 -11.171 6.159 7.161
269 HD23 LEU 44 HD23 LEU 44 -10.676 4.582 7.775
270 H LYS 45 HN LYS 45 -11.567 4.985 1.396
271 HA LYS 45 HA LYS 45 -12.589 7.667 0.811
272 HB2 LYS 45 HB2 LYS 45 -11.433 5.560 -1.036
273 HB3 LYS 45 HB1 LYS 45 -11.958 7.161 -1.533
274 HG2 LYS 45 HG2 LYS 45 -9.711 6.563 0.376
275 HG3 LYS 45 HG1 LYS 45 -9.538 7.023 -1.318
276 HD2 LYS 45 HD2 LYS 45 -10.737 9.143 -0.790
277 HD3 LYS 45 HD1 LYS 45 -10.699 8.681 0.913
278 HE2 LYS 45 HE2 LYS 45 -8.245 8.611 0.818
279 HE3 LYS 45 HE1 LYS 45 -8.306 9.118 -0.870
280 HZ1 LYS 45 HZ1 LYS 45 -9.489 11.143 -0.097
281 HZ2 LYS 45 HZ2 LYS 45 -7.893 11.022 0.451
282 HZ3 LYS 45 HZ3 LYS 45 -9.176 10.667 1.503
283 H GLN 112 H GLN 112 7.592 6.827 6.854
284 HA GLN 112 HA GLN 112 7.997 9.242 5.191
285 HB2 GLN 112 HB2 GLN 112 10.163 8.333 4.647
286 HB3 GLN 112 HB1 GLN 112 10.027 8.469 6.391
287 HG2 GLN 112 HG2 GLN 112 9.588 5.908 4.879
288 HG3 GLN 112 HG1 GLN 112 11.139 6.397 5.557
289 HE21 GLN 112 HE21 GLN 112 11.390 6.454 7.800
290 HE22 GLN 112 HE22 GLN 112 10.312 5.609 8.854
291 H ILE 113 HN ILE 113 8.871 8.336 3.010
292 HA ILE 113 HA ILE 113 6.824 7.420 1.486
293 HB ILE 113 HB ILE 113 9.720 6.755 0.976
294 HG12 ILE 113 HG12 ILE 113 8.157 9.220 0.172
295 HG13 ILE 113 HG11 ILE 113 9.311 9.161 1.501
296 HG21 ILE 113 HG21 ILE 113 9.071 6.812 -1.388
297 HG22 ILE 113 HG22 ILE 113 7.397 7.102 -0.920
298 HG23 ILE 113 HG23 ILE 113 8.177 5.576 -0.502
299 HD11 ILE 113 HD11 ILE 113 10.297 10.151 -0.478
300 HD12 ILE 113 HD12 ILE 113 9.934 8.694 -1.406
301 HD13 ILE 113 HD13 ILE 113 11.092 8.630 -0.077
302 HA PRO 114 HA PRO 114 6.323 3.127 2.837
303 HB2 PRO 114 HB2 PRO 114 4.446 3.063 0.571
304 HB3 PRO 114 HB1 PRO 114 4.162 2.696 2.273
305 HG2 PRO 114 HG2 PRO 114 3.213 4.926 1.113
306 HG3 PRO 114 HG1 PRO 114 3.730 4.892 2.808
307 HD2 PRO 114 HD2 PRO 114 5.132 5.998 0.416
308 HD3 PRO 114 HD1 PRO 114 5.080 6.605 2.084
309 HA PRO 115 HA PRO 115 9.086 1.229 -0.210
310 HB2 PRO 115 HB2 PRO 115 8.045 -1.239 1.070
311 HB3 PRO 115 HB1 PRO 115 9.714 -0.727 0.807
312 HG2 PRO 115 HG2 PRO 115 8.603 -0.645 3.236
313 HG3 PRO 115 HG1 PRO 115 9.744 0.602 2.697
314 HD2 PRO 115 HD2 PRO 115 6.778 0.726 2.956
315 HD3 PRO 115 HD1 PRO 115 8.004 1.982 3.236
316 HA PRO 116 HA PRO 116 6.093 0.132 -3.451
317 HB2 PRO 116 HB2 PRO 116 8.292 -0.876 -4.916
318 HB3 PRO 116 HB1 PRO 116 7.530 0.712 -5.106
319 HG2 PRO 116 HG2 PRO 116 9.869 -0.094 -3.437
320 HG3 PRO 116 HG1 PRO 116 9.646 1.361 -4.446
321 HD2 PRO 116 HD2 PRO 116 9.243 1.629 -1.946
322 HD3 PRO 116 HD1 PRO 116 7.977 2.184 -3.014
323 H TYR 117 HN TYR 117 6.309 -1.400 -4.810
324 HA TYR 117 HA TYR 117 6.070 -4.018 -3.475
325 HB2 TYR 117 HB2 TYR 117 4.442 -4.664 -5.001
326 HB3 TYR 117 HB1 TYR 117 4.136 -2.946 -4.815
327 HD1 TYR 117 HD1 TYR 117 4.716 -1.381 -6.679
328 HD2 TYR 117 HD2 TYR 117 5.127 -5.598 -7.074
329 HE1 TYR 117 HE1 TYR 117 4.823 -1.142 -9.128
330 HE2 TYR 117 HE2 TYR 117 5.239 -5.370 -9.511
331 HH TYR 117 HH TYR 117 4.515 -3.759 -11.248
332 H VAL 118 HN VAL 118 7.607 -5.511 -3.747
333 HA VAL 118 HA VAL 118 9.325 -5.391 -6.118
334 HB VAL 118 HB VAL 118 10.709 -7.085 -4.959
335 HG11 VAL 118 HG11 VAL 118 11.212 -4.726 -4.661
336 HG12 VAL 118 HG12 VAL 118 11.554 -5.624 -3.181
337 HG13 VAL 118 HG13 VAL 118 10.093 -4.643 -3.302
338 HG21 VAL 118 HG21 VAL 118 8.759 -6.733 -2.682
339 HG22 VAL 118 HG22 VAL 118 10.265 -7.646 -2.622
340 HG23 VAL 118 HG23 VAL 118 8.950 -8.184 -3.665
341 H GLU 119 HN GLU 119 6.490 -6.635 -5.279
342 HA GLU 119 HA GLU 119 6.696 -8.901 -7.103
343 HB2 GLU 119 HB2 GLU 119 5.156 -10.142 -5.464
344 HB3 GLU 119 HB1 GLU 119 6.863 -10.037 -5.069
345 HG2 GLU 119 HG2 GLU 119 6.404 -8.207 -3.521
346 HG3 GLU 119 HG1 GLU 119 4.687 -8.297 -3.912
347 HA PRO 120 HA PRO 120 3.111 -6.748 -8.628
348 HB2 PRO 120 HB2 PRO 120 2.727 -9.076 -10.366
349 HB3 PRO 120 HB1 PRO 120 3.112 -7.409 -10.801
350 HG2 PRO 120 HG2 PRO 120 4.900 -9.417 -11.044
351 HG3 PRO 120 HG1 PRO 120 5.382 -7.757 -10.649
352 HD2 PRO 120 HD2 PRO 120 5.080 -10.127 -8.839
353 HD3 PRO 120 HD1 PRO 120 6.333 -8.866 -8.848
Start of MODEL 3
1 H PHE 12 H PHE 12 -10.569 -6.434 0.985
2 HA PHE 12 HA PHE 12 -11.745 -6.359 -1.024
3 HB2 PHE 12 HB2 PHE 12 -13.749 -4.842 -1.253
4 HB3 PHE 12 HB1 PHE 12 -14.019 -6.302 -0.316
5 HD1 PHE 12 HD2 PHE 12 -14.080 -6.126 2.202
6 HD2 PHE 12 HD1 PHE 12 -14.151 -2.717 -0.346
7 HE1 PHE 12 HE2 PHE 12 -14.989 -4.772 4.044
8 HE2 PHE 12 HE1 PHE 12 -15.060 -1.359 1.491
9 HZ PHE 12 HZ PHE 12 -15.480 -2.386 3.688
10 H LEU 13 HN LEU 13 -9.913 -5.441 -1.694
11 HA LEU 13 HA LEU 13 -9.759 -2.502 -1.493
12 HB2 LEU 13 HB2 LEU 13 -7.553 -4.557 -1.510
13 HB3 LEU 13 HB1 LEU 13 -7.256 -2.886 -1.925
14 HG LEU 13 HG LEU 13 -6.600 -3.110 0.320
15 HD11 LEU 13 HD11 LEU 13 -7.880 -1.099 -0.083
16 HD12 LEU 13 HD12 LEU 13 -8.157 -1.687 1.556
17 HD13 LEU 13 HD13 LEU 13 -9.376 -1.948 0.308
18 HD21 LEU 13 HD21 LEU 13 -8.007 -4.070 2.071
19 HD22 LEU 13 HD22 LEU 13 -7.648 -5.245 0.807
20 HD23 LEU 13 HD23 LEU 13 -9.232 -4.471 0.867
21 HA PRO 14 HA PRO 14 -9.766 -2.170 -5.976
22 HB2 PRO 14 HB2 PRO 14 -7.366 -0.544 -5.285
23 HB3 PRO 14 HB1 PRO 14 -8.586 -0.251 -6.532
24 HG2 PRO 14 HG2 PRO 14 -8.817 0.983 -4.378
25 HG3 PRO 14 HG1 PRO 14 -10.248 0.120 -4.902
26 HD2 PRO 14 HD2 PRO 14 -8.243 -0.657 -2.785
27 HD3 PRO 14 HD1 PRO 14 -10.022 -0.753 -2.716
28 H LYS 15 HN LYS 15 -8.662 -2.633 -7.669
29 HA LYS 15 HA LYS 15 -7.208 -5.090 -7.303
30 HB2 LYS 15 HB2 LYS 15 -8.114 -3.618 -9.759
31 HB3 LYS 15 HB1 LYS 15 -7.090 -5.048 -9.864
32 HG2 LYS 15 HG2 LYS 15 -9.865 -4.854 -8.727
33 HG3 LYS 15 HG1 LYS 15 -9.313 -5.769 -10.130
34 HD2 LYS 15 HD2 LYS 15 -7.990 -7.220 -8.705
35 HD3 LYS 15 HD1 LYS 15 -8.456 -6.282 -7.287
36 HE2 LYS 15 HE2 LYS 15 -9.744 -8.365 -7.491
37 HE3 LYS 15 HE1 LYS 15 -10.771 -6.934 -7.580
38 HZ1 LYS 15 HZ1 LYS 15 -11.041 -7.194 -9.877
39 HZ2 LYS 15 HZ2 LYS 15 -11.217 -8.760 -9.248
40 HZ3 LYS 15 HZ3 LYS 15 -9.766 -8.307 -10.002
41 H GLY 16 HN GLY 16 -5.156 -5.498 -7.393
42 HA2 GLY 16 HA2 GLY 16 -2.878 -5.187 -7.734
43 HA3 GLY 16 HA1 GLY 16 -3.209 -3.641 -8.497
44 H TRP 17 HN TRP 17 -4.943 -3.458 -5.760
45 HA TRP 17 HA TRP 17 -2.808 -2.084 -4.334
46 HB2 TRP 17 HB2 TRP 17 -5.789 -2.226 -3.958
47 HB3 TRP 17 HB1 TRP 17 -4.737 -1.550 -2.721
48 HD1 TRP 17 HD1 TRP 17 -5.619 -0.917 -6.459
49 HE1 TRP 17 HE1 TRP 17 -5.417 1.607 -6.869
50 HE3 TRP 17 HE3 TRP 17 -3.801 0.530 -1.893
51 HZ2 TRP 17 HZ2 TRP 17 -4.561 3.905 -5.479
52 HZ3 TRP 17 HZ3 TRP 17 -3.302 2.912 -1.526
53 HH2 TRP 17 HH2 TRP 17 -3.676 4.564 -3.288
54 H GLU 18 HN GLU 18 -1.732 -2.943 -2.734
55 HA GLU 18 HA GLU 18 -2.805 -5.381 -1.497
56 HB2 GLU 18 HB2 GLU 18 -0.165 -4.847 -2.685
57 HB3 GLU 18 HB1 GLU 18 -0.218 -5.882 -1.291
58 HG2 GLU 18 HG2 GLU 18 -1.940 -7.247 -2.485
59 HG3 GLU 18 HG1 GLU 18 -1.617 -6.261 -3.907
60 H VAL 19 HN VAL 19 -2.518 -5.692 0.529
61 HA VAL 19 HA VAL 19 -1.444 -3.473 2.150
62 HB VAL 19 HB VAL 19 -3.432 -5.521 3.117
63 HG11 VAL 19 HG11 VAL 19 -3.928 -3.842 4.819
64 HG12 VAL 19 HG12 VAL 19 -2.716 -2.773 4.113
65 HG13 VAL 19 HG13 VAL 19 -2.225 -4.307 4.836
66 HG21 VAL 19 HG21 VAL 19 -4.444 -4.410 1.212
67 HG22 VAL 19 HG22 VAL 19 -4.051 -2.837 1.901
68 HG23 VAL 19 HG23 VAL 19 -5.213 -3.889 2.710
69 H ARG 20 HN ARG 20 0.629 -4.125 2.583
70 HA ARG 20 HA ARG 20 0.908 -6.801 3.804
71 HB2 ARG 20 HB2 ARG 20 2.147 -6.359 1.574
72 HB3 ARG 20 HB1 ARG 20 3.176 -5.281 2.519
73 HG2 ARG 20 HG2 ARG 20 4.394 -7.201 2.655
74 HG3 ARG 20 HG1 ARG 20 3.391 -7.381 4.086
75 HD2 ARG 20 HD2 ARG 20 3.054 -9.436 3.179
76 HD3 ARG 20 HD1 ARG 20 1.775 -8.560 2.345
77 HE ARG 20 HE ARG 20 4.378 -9.294 1.174
78 HH11 ARG 20 HH11 ARG 20 1.036 -8.334 0.784
79 HH12 ARG 20 HH12 ARG 20 1.000 -8.665 -0.925
80 HH21 ARG 20 HH21 ARG 20 4.335 -9.793 -1.066
81 HH22 ARG 20 HH22 ARG 20 2.860 -9.544 -1.960
82 H HIS 21 HN HIS 21 2.108 -6.945 5.729
83 HA HIS 21 HA HIS 21 2.482 -4.407 7.137
84 HB2 HIS 21 HB2 HIS 21 2.185 -7.230 7.970
85 HB3 HIS 21 HB1 HIS 21 3.311 -6.283 8.922
86 HD1 HIS 21 HD1 HIS 21 0.717 -7.495 10.058
87 HD2 HIS 21 HD2 HIS 21 1.065 -3.497 8.792
88 HE1 HIS 21 HE1 HIS 21 -0.994 -6.187 11.342
89 HE2 HIS 21 HE2 HIS 21 -0.916 -3.883 10.398
90 H ALA 22 HN ALA 22 4.355 -3.432 6.836
91 HA ALA 22 HA ALA 22 6.738 -4.758 5.995
92 HB1 ALA 22 HB1 ALA 22 7.783 -2.555 6.274
93 HB2 ALA 22 HB2 ALA 22 6.329 -1.970 7.085
94 HB3 ALA 22 HB3 ALA 22 6.263 -2.437 5.386
95 HA PRO 23 HA PRO 23 8.775 -5.896 9.795
96 HB2 PRO 23 HB2 PRO 23 10.991 -4.033 9.112
97 HB3 PRO 23 HB1 PRO 23 11.046 -5.757 9.500
98 HG2 PRO 23 HG2 PRO 23 11.341 -4.931 6.992
99 HG3 PRO 23 HG1 PRO 23 10.408 -6.393 7.361
100 HD2 PRO 23 HD2 PRO 23 9.442 -3.661 6.632
101 HD3 PRO 23 HD1 PRO 23 8.799 -5.248 6.165
102 H ASN 24 HN ASN 24 7.966 -2.689 9.150
103 HA ASN 24 HA ASN 24 8.843 -1.525 11.637
104 HB2 ASN 24 HB2 ASN 24 8.644 -0.227 9.490
105 HB3 ASN 24 HB1 ASN 24 6.902 -0.436 9.575
106 HD21 ASN 24 HD21 ASN 24 6.564 1.775 9.641
107 HD22 ASN 24 HD22 ASN 24 6.909 2.725 11.041
108 H GLY 25 HN GLY 25 6.418 -3.549 10.603
109 HA2 GLY 25 HA2 GLY 25 4.745 -4.525 11.884
110 HA3 GLY 25 HA1 GLY 25 5.014 -3.289 13.099
111 H ARG 26 HN ARG 26 4.404 -2.686 9.709
112 HA ARG 26 HA ARG 26 1.766 -1.582 10.353
113 HB2 ARG 26 HB2 ARG 26 4.054 -0.054 9.073
114 HB3 ARG 26 HB1 ARG 26 2.399 0.526 9.109
115 HG2 ARG 26 HG2 ARG 26 4.142 -0.002 11.509
116 HG3 ARG 26 HG1 ARG 26 3.776 1.579 10.820
117 HD2 ARG 26 HD2 ARG 26 1.465 1.367 11.389
118 HD3 ARG 26 HD1 ARG 26 1.686 -0.316 11.869
119 HE ARG 26 HE ARG 26 3.408 1.105 13.460
120 HH11 ARG 26 HH11 ARG 26 -0.051 1.136 12.879
121 HH12 ARG 26 HH12 ARG 26 -0.435 1.675 14.488
122 HH21 ARG 26 HH21 ARG 26 2.897 1.836 15.551
123 HH22 ARG 26 HH22 ARG 26 1.241 2.092 15.998
124 HA PRO 27 HA PRO 27 0.998 -3.034 6.176
125 HB2 PRO 27 HB2 PRO 27 -1.519 -2.149 5.920
126 HB3 PRO 27 HB1 PRO 27 -1.150 -3.446 7.059
127 HG2 PRO 27 HG2 PRO 27 -1.474 -0.507 7.591
128 HG3 PRO 27 HG1 PRO 27 -2.191 -1.877 8.466
129 HD2 PRO 27 HD2 PRO 27 0.054 -0.670 9.345
130 HD3 PRO 27 HD1 PRO 27 -0.238 -2.356 9.574
131 H PHE 28 HN PHE 28 2.090 -1.934 4.687
132 HA PHE 28 HA PHE 28 1.216 0.767 3.999
133 HB2 PHE 28 HB2 PHE 28 3.250 0.907 2.616
134 HB3 PHE 28 HB1 PHE 28 3.630 0.546 4.287
135 HD1 PHE 28 HD1 PHE 28 3.519 -2.239 4.623
136 HD2 PHE 28 HD2 PHE 28 4.737 -0.086 1.151
137 HE1 PHE 28 HE1 PHE 28 4.893 -4.149 3.923
138 HE2 PHE 28 HE2 PHE 28 6.095 -2.006 0.447
139 HZ PHE 28 HZ PHE 28 6.180 -4.038 1.830
140 H PHE 29 HN PHE 29 -0.032 1.080 2.331
141 HA PHE 29 HA PHE 29 -0.962 -1.261 0.881
142 HB2 PHE 29 HB2 PHE 29 -2.020 1.580 0.876
143 HB3 PHE 29 HB1 PHE 29 -2.784 0.192 0.110
144 HD1 PHE 29 HD2 PHE 29 -1.542 1.208 3.489
145 HD2 PHE 29 HD1 PHE 29 -4.522 -0.783 1.201
146 HE1 PHE 29 HE2 PHE 29 -2.824 0.772 5.543
147 HE2 PHE 29 HE1 PHE 29 -5.809 -1.217 3.249
148 HZ PHE 29 HZ PHE 29 -4.962 -0.440 5.424
149 H ILE 30 HN ILE 30 -0.022 -1.743 -0.920
150 HA ILE 30 HA ILE 30 1.347 0.343 -2.432
151 HB ILE 30 HB ILE 30 1.479 -2.613 -2.988
152 HG12 ILE 30 HG12 ILE 30 3.354 -0.997 -1.287
153 HG13 ILE 30 HG11 ILE 30 2.151 -2.087 -0.619
154 HG21 ILE 30 HG21 ILE 30 3.293 -0.274 -3.597
155 HG22 ILE 30 HG22 ILE 30 2.244 -1.106 -4.745
156 HG23 ILE 30 HG23 ILE 30 3.615 -1.953 -4.028
157 HD11 ILE 30 HD11 ILE 30 4.338 -3.131 -0.655
158 HD12 ILE 30 HD12 ILE 30 4.465 -2.847 -2.391
159 HD13 ILE 30 HD13 ILE 30 3.246 -3.957 -1.765
160 H ASP 31 HN ASP 31 0.592 1.077 -4.208
161 HA ASP 31 HA ASP 31 -1.518 -0.332 -5.651
162 HB2 ASP 31 HB2 ASP 31 -1.996 1.952 -5.673
163 HB3 ASP 31 HB1 ASP 31 -0.308 2.404 -5.883
164 H HIS 32 HN HIS 32 -0.806 -1.967 -6.745
165 HA HIS 32 HA HIS 32 1.911 -2.104 -7.691
166 HB2 HIS 32 HB2 HIS 32 -0.401 -4.047 -7.684
167 HB3 HIS 32 HB1 HIS 32 1.139 -4.431 -8.433
168 HD1 HIS 32 HD1 HIS 32 2.195 -6.096 -6.836
169 HD2 HIS 32 HD2 HIS 32 0.589 -2.810 -4.855
170 HE1 HIS 32 HE1 HIS 32 2.823 -6.346 -4.389
171 HE2 HIS 32 HE2 HIS 32 1.617 -4.502 -3.227
172 H ASN 33 HN ASN 33 -0.712 -0.641 -8.914
173 HA ASN 33 HA ASN 33 -0.396 -1.505 -11.674
174 HB2 ASN 33 HB2 ASN 33 -2.125 0.736 -10.608
175 HB3 ASN 33 HB1 ASN 33 -2.226 -0.006 -12.198
176 HD21 ASN 33 HD21 ASN 33 -3.084 -0.208 -8.884
177 HD22 ASN 33 HD22 ASN 33 -4.111 -1.609 -9.017
178 H THR 34 HN THR 34 0.131 1.422 -9.715
179 HA THR 34 HA THR 34 1.561 2.590 -12.017
180 HB THR 34 HB THR 34 0.717 4.449 -9.908
181 HG1 THR 34 HG1 THR 34 -1.082 3.059 -9.858
182 HG21 THR 34 HG21 THR 34 -0.045 5.743 -11.849
183 HG22 THR 34 HG22 THR 34 0.288 4.366 -12.898
184 HG23 THR 34 HG23 THR 34 1.612 5.178 -12.063
185 H LYS 35 HN LYS 35 2.308 1.019 -9.327
186 HA LYS 35 HA LYS 35 4.280 0.792 -8.180
187 HB2 LYS 35 HB2 LYS 35 5.322 1.517 -10.336
188 HB3 LYS 35 HB1 LYS 35 5.221 3.180 -9.790
189 HG2 LYS 35 HG2 LYS 35 7.383 2.725 -9.276
190 HG3 LYS 35 HG1 LYS 35 6.615 2.258 -7.762
191 HD2 LYS 35 HD2 LYS 35 8.011 0.464 -8.164
192 HD3 LYS 35 HD1 LYS 35 6.490 -0.097 -8.861
193 HE2 LYS 35 HE2 LYS 35 8.657 1.253 -10.464
194 HE3 LYS 35 HE1 LYS 35 8.550 -0.492 -10.262
195 HZ1 LYS 35 HZ1 LYS 35 6.445 1.222 -11.484
196 HZ2 LYS 35 HZ2 LYS 35 6.403 -0.466 -11.335
197 HZ3 LYS 35 HZ3 LYS 35 7.551 0.264 -12.339
198 H THR 36 HN THR 36 2.027 2.696 -7.431
199 HA THR 36 HA THR 36 3.526 4.742 -5.941
200 HB THR 36 HB THR 36 1.395 5.903 -5.615
201 HG1 THR 36 HG1 THR 36 0.261 3.819 -7.219
202 HG21 THR 36 HG21 THR 36 0.979 6.544 -7.948
203 HG22 THR 36 HG22 THR 36 1.896 5.139 -8.491
204 HG23 THR 36 HG23 THR 36 2.705 6.426 -7.600
205 H THR 37 HN THR 37 3.129 5.089 -3.688
206 HA THR 37 HA THR 37 1.913 2.774 -2.350
207 HB THR 37 HB THR 37 3.697 3.331 -0.524
208 HG1 THR 37 HG1 THR 37 5.637 4.089 -1.461
209 HG21 THR 37 HG21 THR 37 5.188 1.677 -1.554
210 HG22 THR 37 HG22 THR 37 4.351 1.888 -3.091
211 HG23 THR 37 HG23 THR 37 3.493 1.213 -1.706
212 H THR 38 HN THR 38 0.984 3.107 -0.329
213 HA THR 38 HA THR 38 0.552 5.843 0.583
214 HB THR 38 HB THR 38 -1.631 3.996 -0.412
215 HG1 THR 38 HG1 THR 38 -0.262 5.908 -1.590
216 HG21 THR 38 HG21 THR 38 -1.868 6.565 1.142
217 HG22 THR 38 HG22 THR 38 -2.459 4.965 1.602
218 HG23 THR 38 HG23 THR 38 -3.191 5.821 0.246
219 H TRP 39 HN TRP 39 -0.125 5.914 2.823
220 HA TRP 39 HA TRP 39 0.273 3.403 4.274
221 HB2 TRP 39 HB2 TRP 39 -0.182 6.218 5.257
222 HB3 TRP 39 HB1 TRP 39 -0.008 4.826 6.312
223 HD1 TRP 39 HD1 TRP 39 1.881 7.513 4.788
224 HE1 TRP 39 HE1 TRP 39 4.425 7.119 5.098
225 HE3 TRP 39 HE3 TRP 39 1.745 2.609 6.160
226 HZ2 TRP 39 HZ2 TRP 39 6.132 4.953 5.860
227 HZ3 TRP 39 HZ3 TRP 39 3.843 1.445 6.670
228 HH2 TRP 39 HH2 TRP 39 5.986 2.584 6.522
229 H GLU 40 HN GLU 40 -2.163 5.709 3.489
230 HA GLU 40 HA GLU 40 -3.949 4.677 5.487
231 HB2 GLU 40 HB2 GLU 40 -5.337 6.618 4.877
232 HB3 GLU 40 HB1 GLU 40 -3.687 7.042 5.323
233 HG2 GLU 40 HG2 GLU 40 -4.101 8.402 3.550
234 HG3 GLU 40 HG1 GLU 40 -3.227 7.071 2.809
235 H ASP 41 HN ASP 41 -6.295 4.413 4.785
236 HA ASP 41 HA ASP 41 -6.015 2.112 3.007
237 HB2 ASP 41 HB2 ASP 41 -6.796 1.876 5.391
238 HB3 ASP 41 HB1 ASP 41 -8.238 2.730 4.944
239 HA PRO 42 HA PRO 42 -8.241 4.338 -0.122
240 HB2 PRO 42 HB2 PRO 42 -8.537 2.265 -1.867
241 HB3 PRO 42 HB1 PRO 42 -7.034 3.174 -1.669
242 HG2 PRO 42 HG2 PRO 42 -7.812 0.524 -0.524
243 HG3 PRO 42 HG1 PRO 42 -6.260 1.038 -1.211
244 HD2 PRO 42 HD2 PRO 42 -6.697 0.897 1.456
245 HD3 PRO 42 HD1 PRO 42 -5.608 2.095 0.730
246 H ARG 43 HN ARG 43 -9.485 1.677 1.659
247 HA ARG 43 HA ARG 43 -12.098 1.680 0.436
248 HB2 ARG 43 HB2 ARG 43 -11.855 -0.344 1.414
249 HB3 ARG 43 HB1 ARG 43 -10.709 0.249 2.598
250 HG2 ARG 43 HG2 ARG 43 -12.701 1.263 3.798
251 HG3 ARG 43 HG1 ARG 43 -13.703 0.278 2.726
252 HD2 ARG 43 HD2 ARG 43 -13.218 -0.784 4.927
253 HD3 ARG 43 HD1 ARG 43 -12.706 -1.737 3.534
254 HE ARG 43 HE ARG 43 -10.451 -0.429 4.105
255 HH11 ARG 43 HH11 ARG 43 -12.712 -2.008 6.275
256 HH12 ARG 43 HH12 ARG 43 -11.470 -2.555 7.369
257 HH21 ARG 43 HH21 ARG 43 -8.829 -1.123 5.545
258 HH22 ARG 43 HH22 ARG 43 -9.274 -2.047 6.955
259 H LEU 44 HN LEU 44 -10.418 3.491 2.752
260 HA LEU 44 HA LEU 44 -12.660 4.511 4.173
261 HB2 LEU 44 HB2 LEU 44 -9.796 5.410 4.002
262 HB3 LEU 44 HB1 LEU 44 -10.976 6.183 5.031
263 HG LEU 44 HG LEU 44 -10.126 3.304 5.248
264 HD11 LEU 44 HD11 LEU 44 -8.345 4.829 5.909
265 HD12 LEU 44 HD12 LEU 44 -9.028 4.017 7.317
266 HD13 LEU 44 HD13 LEU 44 -9.462 5.690 6.968
267 HD21 LEU 44 HD21 LEU 44 -11.389 3.316 7.330
268 HD22 LEU 44 HD22 LEU 44 -12.433 3.662 5.950
269 HD23 LEU 44 HD23 LEU 44 -11.909 4.971 7.011
270 H LYS 45 HN LYS 45 -11.557 4.996 1.163
271 HA LYS 45 HA LYS 45 -12.301 7.806 0.939
272 HB2 LYS 45 HB2 LYS 45 -11.399 5.913 -1.245
273 HB3 LYS 45 HB1 LYS 45 -11.498 7.667 -1.343
274 HG2 LYS 45 HG2 LYS 45 -9.753 7.836 0.384
275 HG3 LYS 45 HG1 LYS 45 -9.626 6.076 0.391
276 HD2 LYS 45 HD2 LYS 45 -9.046 6.156 -2.019
277 HD3 LYS 45 HD1 LYS 45 -9.060 7.919 -1.928
278 HE2 LYS 45 HE2 LYS 45 -7.283 6.086 -0.320
279 HE3 LYS 45 HE1 LYS 45 -6.791 7.010 -1.739
280 HZ1 LYS 45 HZ1 LYS 45 -6.890 8.987 -0.591
281 HZ2 LYS 45 HZ2 LYS 45 -6.337 7.929 0.616
282 HZ3 LYS 45 HZ3 LYS 45 -7.966 8.400 0.581
283 H GLN 112 H GLN 112 8.637 10.198 6.516
284 HA GLN 112 HA GLN 112 7.740 7.465 7.219
285 HB2 GLN 112 HB2 GLN 112 6.128 9.917 6.481
286 HB3 GLN 112 HB1 GLN 112 5.477 8.304 6.743
287 HG2 GLN 112 HG2 GLN 112 6.150 8.375 9.066
288 HG3 GLN 112 HG1 GLN 112 6.897 9.952 8.822
289 HE21 GLN 112 HE21 GLN 112 5.622 10.958 10.337
290 HE22 GLN 112 HE22 GLN 112 3.932 11.262 10.090
291 H ILE 113 HN ILE 113 7.900 6.146 5.526
292 HA ILE 113 HA ILE 113 7.276 7.081 2.866
293 HB ILE 113 HB ILE 113 9.618 7.674 2.943
294 HG12 ILE 113 HG12 ILE 113 10.499 6.217 1.103
295 HG13 ILE 113 HG11 ILE 113 9.106 5.165 1.334
296 HG21 ILE 113 HG21 ILE 113 11.379 6.008 3.325
297 HG22 ILE 113 HG22 ILE 113 10.147 4.818 3.741
298 HG23 ILE 113 HG23 ILE 113 10.364 6.250 4.747
299 HD11 ILE 113 HD11 ILE 113 7.619 7.013 0.759
300 HD12 ILE 113 HD12 ILE 113 8.767 6.667 -0.535
301 HD13 ILE 113 HD13 ILE 113 9.018 8.059 0.520
302 HA PRO 114 HA PRO 114 6.139 2.730 2.913
303 HB2 PRO 114 HB2 PRO 114 4.244 2.948 0.968
304 HB3 PRO 114 HB1 PRO 114 3.953 3.302 2.669
305 HG2 PRO 114 HG2 PRO 114 4.131 5.131 0.401
306 HG3 PRO 114 HG1 PRO 114 3.481 5.416 2.021
307 HD2 PRO 114 HD2 PRO 114 6.042 6.191 0.944
308 HD3 PRO 114 HD1 PRO 114 5.350 6.563 2.534
309 HA PRO 115 HA PRO 115 8.877 1.721 -0.604
310 HB2 PRO 115 HB2 PRO 115 8.319 -0.995 0.427
311 HB3 PRO 115 HB1 PRO 115 9.860 -0.208 0.113
312 HG2 PRO 115 HG2 PRO 115 9.011 -0.610 2.601
313 HG3 PRO 115 HG1 PRO 115 9.887 0.868 2.158
314 HD2 PRO 115 HD2 PRO 115 6.956 0.458 2.593
315 HD3 PRO 115 HD1 PRO 115 7.996 1.820 3.062
316 HA PRO 116 HA PRO 116 5.684 0.581 -3.608
317 HB2 PRO 116 HB2 PRO 116 7.743 -0.185 -5.386
318 HB3 PRO 116 HB1 PRO 116 6.881 1.363 -5.363
319 HG2 PRO 116 HG2 PRO 116 9.439 0.595 -4.033
320 HG3 PRO 116 HG1 PRO 116 9.020 2.099 -4.895
321 HD2 PRO 116 HD2 PRO 116 8.894 2.162 -2.357
322 HD3 PRO 116 HD1 PRO 116 7.484 2.708 -3.232
323 H TYR 117 HN TYR 117 5.815 -0.846 -5.098
324 HA TYR 117 HA TYR 117 5.565 -3.471 -3.898
325 HB2 TYR 117 HB2 TYR 117 4.115 -4.059 -5.565
326 HB3 TYR 117 HB1 TYR 117 3.944 -2.316 -5.618
327 HD1 TYR 117 HD1 TYR 117 5.223 -5.274 -7.337
328 HD2 TYR 117 HD2 TYR 117 4.715 -1.056 -7.563
329 HE1 TYR 117 HE1 TYR 117 5.677 -5.366 -9.740
330 HE2 TYR 117 HE2 TYR 117 5.175 -1.132 -9.978
331 HH TYR 117 HH TYR 117 5.216 -4.022 -11.759
332 H VAL 118 HN VAL 118 7.208 -4.861 -3.792
333 HA VAL 118 HA VAL 118 9.084 -5.046 -6.032
334 HB VAL 118 HB VAL 118 10.036 -4.962 -3.747
335 HG11 VAL 118 HG11 VAL 118 8.233 -6.025 -2.523
336 HG12 VAL 118 HG12 VAL 118 9.761 -6.854 -2.219
337 HG13 VAL 118 HG13 VAL 118 8.576 -7.562 -3.317
338 HG21 VAL 118 HG21 VAL 118 11.289 -6.112 -5.473
339 HG22 VAL 118 HG22 VAL 118 10.430 -7.612 -5.126
340 HG23 VAL 118 HG23 VAL 118 11.509 -6.915 -3.917
341 H GLU 119 HN GLU 119 6.308 -6.355 -4.703
342 HA GLU 119 HA GLU 119 6.511 -8.961 -6.002
343 HB2 GLU 119 HB2 GLU 119 4.077 -7.943 -4.581
344 HB3 GLU 119 HB1 GLU 119 4.692 -9.582 -4.695
345 HG2 GLU 119 HG2 GLU 119 6.240 -7.527 -3.190
346 HG3 GLU 119 HG1 GLU 119 4.823 -8.267 -2.453
347 HA PRO 120 HA PRO 120 4.368 -7.005 -9.472
348 HB2 PRO 120 HB2 PRO 120 4.224 -9.739 -10.547
349 HB3 PRO 120 HB1 PRO 120 5.013 -8.311 -11.220
350 HG2 PRO 120 HG2 PRO 120 6.427 -10.363 -10.217
351 HG3 PRO 120 HG1 PRO 120 6.978 -8.684 -10.067
352 HD2 PRO 120 HD2 PRO 120 5.626 -10.422 -8.033
353 HD3 PRO 120 HD1 PRO 120 6.991 -9.302 -7.829
Start of MODEL 4
1 H PHE 12 H PHE 12 -9.914 -5.864 2.549
2 HA PHE 12 HA PHE 12 -10.397 -6.859 0.480
3 HB2 PHE 12 HB2 PHE 12 -12.649 -6.589 -0.561
4 HB3 PHE 12 HB1 PHE 12 -12.657 -7.605 0.872
5 HD1 PHE 12 HD1 PHE 12 -13.437 -6.554 3.064
6 HD2 PHE 12 HD2 PHE 12 -14.069 -4.764 -0.745
7 HE1 PHE 12 HE1 PHE 12 -15.252 -5.191 4.009
8 HE2 PHE 12 HE2 PHE 12 -15.883 -3.394 0.196
9 HZ PHE 12 HZ PHE 12 -16.477 -3.608 2.577
10 H LEU 13 HN LEU 13 -9.273 -5.618 -0.819
11 HA LEU 13 HA LEU 13 -9.969 -2.753 -0.992
12 HB2 LEU 13 HB2 LEU 13 -7.256 -4.077 -1.009
13 HB3 LEU 13 HB1 LEU 13 -7.509 -2.431 -1.549
14 HG LEU 13 HG LEU 13 -6.692 -2.254 0.640
15 HD11 LEU 13 HD11 LEU 13 -8.570 -0.784 0.213
16 HD12 LEU 13 HD12 LEU 13 -8.525 -1.266 1.909
17 HD13 LEU 13 HD13 LEU 13 -9.688 -2.011 0.811
18 HD21 LEU 13 HD21 LEU 13 -6.971 -4.561 1.338
19 HD22 LEU 13 HD22 LEU 13 -8.712 -4.322 1.492
20 HD23 LEU 13 HD23 LEU 13 -7.605 -3.458 2.559
21 HA PRO 14 HA PRO 14 -9.993 -2.833 -5.517
22 HB2 PRO 14 HB2 PRO 14 -7.776 -0.900 -5.018
23 HB3 PRO 14 HB1 PRO 14 -8.998 -0.877 -6.294
24 HG2 PRO 14 HG2 PRO 14 -9.390 0.549 -4.290
25 HG3 PRO 14 HG1 PRO 14 -10.711 -0.508 -4.724
26 HD2 PRO 14 HD2 PRO 14 -8.696 -0.823 -2.504
27 HD3 PRO 14 HD1 PRO 14 -10.447 -1.138 -2.470
28 H LYS 15 HN LYS 15 -8.912 -3.386 -7.159
29 HA LYS 15 HA LYS 15 -7.193 -5.616 -6.743
30 HB2 LYS 15 HB2 LYS 15 -7.225 -5.956 -9.085
31 HB3 LYS 15 HB1 LYS 15 -8.810 -5.324 -8.668
32 HG2 LYS 15 HG2 LYS 15 -8.202 -3.141 -9.492
33 HG3 LYS 15 HG1 LYS 15 -6.552 -3.688 -9.804
34 HD2 LYS 15 HD2 LYS 15 -7.445 -5.354 -11.388
35 HD3 LYS 15 HD1 LYS 15 -9.058 -4.704 -11.118
36 HE2 LYS 15 HE2 LYS 15 -8.241 -3.727 -13.126
37 HE3 LYS 15 HE1 LYS 15 -8.181 -2.478 -11.883
38 HZ1 LYS 15 HZ1 LYS 15 -5.805 -2.978 -11.593
39 HZ2 LYS 15 HZ2 LYS 15 -6.165 -2.452 -13.163
40 HZ3 LYS 15 HZ3 LYS 15 -5.891 -4.099 -12.863
41 H GLY 16 HN GLY 16 -5.058 -5.913 -7.113
42 HA2 GLY 16 HA2 GLY 16 -2.832 -5.374 -7.346
43 HA3 GLY 16 HA1 GLY 16 -3.309 -3.866 -8.104
44 H TRP 17 HN TRP 17 -4.981 -3.702 -5.344
45 HA TRP 17 HA TRP 17 -2.878 -2.182 -4.028
46 HB2 TRP 17 HB2 TRP 17 -5.837 -2.424 -3.507
47 HB3 TRP 17 HB1 TRP 17 -4.748 -1.554 -2.433
48 HD1 TRP 17 HD1 TRP 17 -6.008 -1.402 -6.100
49 HE1 TRP 17 HE1 TRP 17 -5.961 1.058 -6.831
50 HE3 TRP 17 HE3 TRP 17 -3.745 0.642 -1.977
51 HZ2 TRP 17 HZ2 TRP 17 -5.051 3.534 -5.827
52 HZ3 TRP 17 HZ3 TRP 17 -3.315 3.063 -1.956
53 HH2 TRP 17 HH2 TRP 17 -3.953 4.478 -3.839
54 H GLU 18 HN GLU 18 -1.616 -3.146 -2.664
55 HA GLU 18 HA GLU 18 -2.597 -5.554 -1.310
56 HB2 GLU 18 HB2 GLU 18 0.051 -4.773 -2.404
57 HB3 GLU 18 HB1 GLU 18 0.001 -5.857 -1.025
58 HG2 GLU 18 HG2 GLU 18 -1.223 -6.285 -3.732
59 HG3 GLU 18 HG1 GLU 18 0.115 -7.152 -2.991
60 H VAL 19 HN VAL 19 -2.177 -5.914 0.769
61 HA VAL 19 HA VAL 19 -1.429 -3.565 2.387
62 HB VAL 19 HB VAL 19 -3.144 -5.862 3.332
63 HG11 VAL 19 HG11 VAL 19 -2.694 -3.093 4.434
64 HG12 VAL 19 HG12 VAL 19 -2.044 -4.597 5.089
65 HG13 VAL 19 HG13 VAL 19 -3.783 -4.306 5.109
66 HG21 VAL 19 HG21 VAL 19 -5.093 -4.404 3.026
67 HG22 VAL 19 HG22 VAL 19 -4.312 -4.798 1.495
68 HG23 VAL 19 HG23 VAL 19 -4.064 -3.214 2.230
69 H ARG 20 HN ARG 20 0.695 -3.925 2.825
70 HA ARG 20 HA ARG 20 1.358 -6.539 3.997
71 HB2 ARG 20 HB2 ARG 20 2.511 -5.852 1.805
72 HB3 ARG 20 HB1 ARG 20 3.381 -4.679 2.790
73 HG2 ARG 20 HG2 ARG 20 4.798 -6.520 2.707
74 HG3 ARG 20 HG1 ARG 20 4.009 -6.660 4.269
75 HD2 ARG 20 HD2 ARG 20 4.070 -8.825 3.189
76 HD3 ARG 20 HD1 ARG 20 2.408 -8.253 3.306
77 HE ARG 20 HE ARG 20 3.568 -7.544 0.806
78 HH11 ARG 20 HH11 ARG 20 2.171 -10.237 2.557
79 HH12 ARG 20 HH12 ARG 20 1.671 -11.080 1.121
80 HH21 ARG 20 HH21 ARG 20 2.924 -8.649 -1.096
81 HH22 ARG 20 HH22 ARG 20 2.104 -10.181 -0.945
82 H HIS 21 HN HIS 21 2.603 -6.567 5.862
83 HA HIS 21 HA HIS 21 2.583 -3.997 7.331
84 HB2 HIS 21 HB2 HIS 21 1.339 -6.310 8.047
85 HB3 HIS 21 HB1 HIS 21 2.908 -6.562 8.791
86 HD1 HIS 21 HD1 HIS 21 2.217 -6.470 11.129
87 HD2 HIS 21 HD2 HIS 21 1.017 -2.999 9.064
88 HE1 HIS 21 HE1 HIS 21 1.168 -4.973 12.845
89 HE2 HIS 21 HE2 HIS 21 0.235 -3.034 11.540
90 H ALA 22 HN ALA 22 4.567 -3.144 7.269
91 HA ALA 22 HA ALA 22 6.911 -4.496 6.588
92 HB1 ALA 22 HB1 ALA 22 6.654 -2.076 6.386
93 HB2 ALA 22 HB2 ALA 22 8.082 -2.479 7.338
94 HB3 ALA 22 HB3 ALA 22 6.614 -1.927 8.143
95 HA PRO 23 HA PRO 23 8.369 -6.609 10.167
96 HB2 PRO 23 HB2 PRO 23 10.897 -5.050 10.067
97 HB3 PRO 23 HB1 PRO 23 10.651 -6.801 10.054
98 HG2 PRO 23 HG2 PRO 23 11.324 -5.519 7.824
99 HG3 PRO 23 HG1 PRO 23 10.146 -6.844 7.786
100 HD2 PRO 23 HD2 PRO 23 9.687 -3.890 7.666
101 HD3 PRO 23 HD1 PRO 23 8.872 -5.194 6.777
102 H ASN 24 HN ASN 24 8.392 -3.159 10.180
103 HA ASN 24 HA ASN 24 8.921 -2.907 12.999
104 HB2 ASN 24 HB2 ASN 24 8.298 -0.486 12.610
105 HB3 ASN 24 HB1 ASN 24 9.682 -1.063 11.692
106 HD21 ASN 24 HD21 ASN 24 9.475 0.532 10.146
107 HD22 ASN 24 HD22 ASN 24 8.194 0.547 8.976
108 H GLY 25 HN GLY 25 6.354 -3.723 11.051
109 HA2 GLY 25 HA2 GLY 25 4.263 -4.434 11.760
110 HA3 GLY 25 HA1 GLY 25 4.527 -3.605 13.271
111 H ARG 26 HN ARG 26 4.917 -2.164 10.122
112 HA ARG 26 HA ARG 26 2.417 -0.651 10.517
113 HB2 ARG 26 HB2 ARG 26 4.974 0.219 9.142
114 HB3 ARG 26 HB1 ARG 26 3.486 1.152 9.170
115 HG2 ARG 26 HG2 ARG 26 4.881 0.340 11.697
116 HG3 ARG 26 HG1 ARG 26 5.331 1.792 10.803
117 HD2 ARG 26 HD2 ARG 26 3.803 2.450 12.501
118 HD3 ARG 26 HD1 ARG 26 2.950 2.531 10.964
119 HE ARG 26 HE ARG 26 2.644 0.186 12.722
120 HH11 ARG 26 HH11 ARG 26 1.278 2.914 10.987
121 HH12 ARG 26 HH12 ARG 26 -0.370 2.472 11.332
122 HH21 ARG 26 HH21 ARG 26 0.472 -0.395 13.185
123 HH22 ARG 26 HH22 ARG 26 -0.822 0.582 12.559
124 HA PRO 27 HA PRO 27 1.555 -2.614 6.577
125 HB2 PRO 27 HB2 PRO 27 -1.074 -2.075 6.467
126 HB3 PRO 27 HB1 PRO 27 -0.422 -3.291 7.570
127 HG2 PRO 27 HG2 PRO 27 -1.361 -0.530 8.138
128 HG3 PRO 27 HG1 PRO 27 -1.454 -1.983 9.148
129 HD2 PRO 27 HD2 PRO 27 0.447 0.008 9.356
130 HD3 PRO 27 HD1 PRO 27 0.548 -1.511 10.129
131 H PHE 28 HN PHE 28 2.222 -1.701 4.865
132 HA PHE 28 HA PHE 28 1.319 0.972 4.101
133 HB2 PHE 28 HB2 PHE 28 3.296 0.955 2.575
134 HB3 PHE 28 HB1 PHE 28 3.724 0.838 4.272
135 HD1 PHE 28 HD2 PHE 28 3.798 -1.847 5.046
136 HD2 PHE 28 HD1 PHE 28 4.611 -0.271 1.170
137 HE1 PHE 28 HE2 PHE 28 5.190 -3.799 4.545
138 HE2 PHE 28 HE1 PHE 28 5.994 -2.236 0.669
139 HZ PHE 28 HZ PHE 28 6.289 -4.003 2.353
140 H PHE 29 HN PHE 29 -0.085 1.128 2.498
141 HA PHE 29 HA PHE 29 -0.872 -1.316 1.137
142 HB2 PHE 29 HB2 PHE 29 -2.184 1.417 1.136
143 HB3 PHE 29 HB1 PHE 29 -2.849 -0.057 0.433
144 HD1 PHE 29 HD1 PHE 29 -1.566 1.189 3.720
145 HD2 PHE 29 HD2 PHE 29 -4.375 -1.236 1.642
146 HE1 PHE 29 HE1 PHE 29 -2.651 0.630 5.854
147 HE2 PHE 29 HE2 PHE 29 -5.465 -1.800 3.774
148 HZ PHE 29 HZ PHE 29 -4.598 -0.877 5.884
149 H ILE 30 HN ILE 30 -0.015 -1.780 -0.729
150 HA ILE 30 HA ILE 30 1.282 0.359 -2.256
151 HB ILE 30 HB ILE 30 1.537 -2.589 -2.816
152 HG12 ILE 30 HG12 ILE 30 3.399 -0.953 -1.138
153 HG13 ILE 30 HG11 ILE 30 2.178 -2.001 -0.434
154 HG21 ILE 30 HG21 ILE 30 3.647 -1.870 -3.853
155 HG22 ILE 30 HG22 ILE 30 3.286 -0.200 -3.414
156 HG23 ILE 30 HG23 ILE 30 2.256 -1.051 -4.566
157 HD11 ILE 30 HD11 ILE 30 4.341 -3.087 -0.457
158 HD12 ILE 30 HD12 ILE 30 4.466 -2.846 -2.200
159 HD13 ILE 30 HD13 ILE 30 3.229 -3.917 -1.544
160 H ASP 31 HN ASP 31 0.651 0.930 -4.202
161 HA ASP 31 HA ASP 31 -1.509 -0.551 -5.508
162 HB2 ASP 31 HB2 ASP 31 -1.894 1.771 -5.681
163 HB3 ASP 31 HB1 ASP 31 -0.209 2.107 -6.079
164 H HIS 32 HN HIS 32 -0.987 -2.190 -6.699
165 HA HIS 32 HA HIS 32 1.728 -2.426 -7.743
166 HB2 HIS 32 HB2 HIS 32 -0.518 -4.424 -7.403
167 HB3 HIS 32 HB1 HIS 32 1.001 -4.817 -8.191
168 HD1 HIS 32 HD1 HIS 32 2.171 -6.316 -6.535
169 HD2 HIS 32 HD2 HIS 32 0.584 -2.924 -4.728
170 HE1 HIS 32 HE1 HIS 32 2.910 -6.379 -4.118
171 HE2 HIS 32 HE2 HIS 32 1.802 -4.425 -3.037
172 H ASN 33 HN ASN 33 -0.982 -1.061 -8.843
173 HA ASN 33 HA ASN 33 -0.939 -2.198 -11.528
174 HB2 ASN 33 HB2 ASN 33 -2.554 0.158 -10.517
175 HB3 ASN 33 HB1 ASN 33 -2.794 -0.710 -12.027
176 HD21 ASN 33 HD21 ASN 33 -3.240 -0.701 -8.614
177 HD22 ASN 33 HD22 ASN 33 -4.345 -2.050 -8.543
178 H THR 34 HN THR 34 -0.703 1.088 -10.159
179 HA THR 34 HA THR 34 0.850 1.880 -12.533
180 HB THR 34 HB THR 34 -0.583 3.701 -10.588
181 HG1 THR 34 HG1 THR 34 -1.491 2.549 -13.043
182 HG21 THR 34 HG21 THR 34 0.349 4.128 -13.430
183 HG22 THR 34 HG22 THR 34 1.124 4.781 -11.986
184 HG23 THR 34 HG23 THR 34 -0.501 5.307 -12.430
185 H LYS 35 HN LYS 35 1.272 1.015 -9.393
186 HA LYS 35 HA LYS 35 3.013 1.088 -7.957
187 HB2 LYS 35 HB2 LYS 35 4.568 0.875 -9.771
188 HB3 LYS 35 HB1 LYS 35 4.377 2.564 -10.210
189 HG2 LYS 35 HG2 LYS 35 6.366 2.661 -9.114
190 HG3 LYS 35 HG1 LYS 35 5.266 2.964 -7.770
191 HD2 LYS 35 HD2 LYS 35 6.737 1.371 -6.926
192 HD3 LYS 35 HD1 LYS 35 5.340 0.413 -7.422
193 HE2 LYS 35 HE2 LYS 35 7.419 -0.649 -8.124
194 HE3 LYS 35 HE1 LYS 35 6.465 -0.147 -9.519
195 HZ1 LYS 35 HZ1 LYS 35 7.885 1.701 -9.877
196 HZ2 LYS 35 HZ2 LYS 35 8.897 0.358 -9.654
197 HZ3 LYS 35 HZ3 LYS 35 8.682 1.476 -8.398
198 H THR 36 HN THR 36 1.661 2.300 -6.601
199 HA THR 36 HA THR 36 2.934 4.839 -5.923
200 HB THR 36 HB THR 36 0.591 5.683 -5.205
201 HG1 THR 36 HG1 THR 36 -0.147 3.814 -7.235
202 HG21 THR 36 HG21 THR 36 0.201 6.732 -7.385
203 HG22 THR 36 HG22 THR 36 1.320 5.592 -8.132
204 HG23 THR 36 HG23 THR 36 1.909 6.760 -6.948
205 H THR 37 HN THR 37 2.798 5.314 -3.632
206 HA THR 37 HA THR 37 1.960 2.968 -2.059
207 HB THR 37 HB THR 37 3.968 3.381 -0.598
208 HG1 THR 37 HG1 THR 37 4.226 5.486 -2.193
209 HG21 THR 37 HG21 THR 37 3.901 1.538 -2.203
210 HG22 THR 37 HG22 THR 37 5.523 2.221 -2.101
211 HG23 THR 37 HG23 THR 37 4.488 2.613 -3.473
212 H THR 38 HN THR 38 0.951 3.331 -0.173
213 HA THR 38 HA THR 38 1.059 5.934 1.105
214 HB THR 38 HB THR 38 -0.771 6.233 -0.485
215 HG1 THR 38 HG1 THR 38 -2.548 6.330 1.280
216 HG21 THR 38 HG21 THR 38 -2.006 3.797 0.801
217 HG22 THR 38 HG22 THR 38 -1.380 3.904 -0.844
218 HG23 THR 38 HG23 THR 38 -2.796 4.845 -0.375
219 H TRP 39 HN TRP 39 0.389 5.836 3.334
220 HA TRP 39 HA TRP 39 0.431 3.122 4.426
221 HB2 TRP 39 HB2 TRP 39 0.336 5.741 5.934
222 HB3 TRP 39 HB1 TRP 39 0.682 4.155 6.606
223 HD1 TRP 39 HD1 TRP 39 2.257 7.044 4.786
224 HE1 TRP 39 HE1 TRP 39 4.820 6.692 4.691
225 HE3 TRP 39 HE3 TRP 39 2.472 2.238 6.496
226 HZ2 TRP 39 HZ2 TRP 39 6.680 4.615 5.288
227 HZ3 TRP 39 HZ3 TRP 39 4.659 1.140 6.706
228 HH2 TRP 39 HH2 TRP 39 6.719 2.305 6.113
229 H GLU 40 HN GLU 40 -1.811 5.332 3.404
230 HA GLU 40 HA GLU 40 -3.741 4.557 5.451
231 HB2 GLU 40 HB2 GLU 40 -4.986 6.578 4.873
232 HB3 GLU 40 HB1 GLU 40 -3.322 6.930 5.335
233 HG2 GLU 40 HG2 GLU 40 -3.816 8.350 3.571
234 HG3 GLU 40 HG1 GLU 40 -2.791 7.096 2.892
235 H ASP 41 HN ASP 41 -6.017 4.332 4.669
236 HA ASP 41 HA ASP 41 -5.732 2.198 2.705
237 HB2 ASP 41 HB2 ASP 41 -7.832 1.327 3.663
238 HB3 ASP 41 HB1 ASP 41 -6.575 1.539 4.876
239 HA PRO 42 HA PRO 42 -8.220 4.248 -0.349
240 HB2 PRO 42 HB2 PRO 42 -8.549 2.125 -1.991
241 HB3 PRO 42 HB1 PRO 42 -7.029 3.018 -1.879
242 HG2 PRO 42 HG2 PRO 42 -7.803 0.428 -0.601
243 HG3 PRO 42 HG1 PRO 42 -6.276 0.880 -1.378
244 HD2 PRO 42 HD2 PRO 42 -6.627 0.868 1.319
245 HD3 PRO 42 HD1 PRO 42 -5.504 1.967 0.495
246 H ARG 43 HN ARG 43 -9.232 1.753 1.728
247 HA ARG 43 HA ARG 43 -11.847 1.366 0.600
248 HB2 ARG 43 HB2 ARG 43 -10.831 -0.429 1.883
249 HB3 ARG 43 HB1 ARG 43 -10.698 0.607 3.294
250 HG2 ARG 43 HG2 ARG 43 -12.543 -1.025 3.435
251 HG3 ARG 43 HG1 ARG 43 -13.080 0.649 3.566
252 HD2 ARG 43 HD2 ARG 43 -14.565 -0.678 2.140
253 HD3 ARG 43 HD1 ARG 43 -13.792 0.628 1.247
254 HE ARG 43 HE ARG 43 -12.521 -1.989 1.104
255 HH11 ARG 43 HH11 ARG 43 -14.630 0.371 -0.386
256 HH12 ARG 43 HH12 ARG 43 -14.483 -0.305 -1.980
257 HH21 ARG 43 HH21 ARG 43 -12.361 -2.914 -0.989
258 HH22 ARG 43 HH22 ARG 43 -13.252 -2.209 -2.308
259 H LEU 44 HN LEU 44 -10.404 3.426 3.014
260 HA LEU 44 HA LEU 44 -12.907 4.387 3.990
261 HB2 LEU 44 HB2 LEU 44 -10.072 4.852 4.602
262 HB3 LEU 44 HB1 LEU 44 -11.143 6.186 4.941
263 HG LEU 44 HG LEU 44 -11.291 3.407 6.097
264 HD11 LEU 44 HD11 LEU 44 -10.781 6.097 7.353
265 HD12 LEU 44 HD12 LEU 44 -9.591 4.820 7.097
266 HD13 LEU 44 HD13 LEU 44 -10.927 4.565 8.219
267 HD21 LEU 44 HD21 LEU 44 -13.202 4.201 7.390
268 HD22 LEU 44 HD22 LEU 44 -13.542 4.232 5.661
269 HD23 LEU 44 HD23 LEU 44 -13.167 5.730 6.512
270 H LYS 45 HN LYS 45 -11.224 4.981 1.282
271 HA LYS 45 HA LYS 45 -11.443 7.777 0.939
272 HB2 LYS 45 HB2 LYS 45 -11.511 5.668 -1.228
273 HB3 LYS 45 HB1 LYS 45 -11.123 7.365 -1.437
274 HG2 LYS 45 HG2 LYS 45 -9.479 5.496 0.248
275 HG3 LYS 45 HG1 LYS 45 -9.184 5.772 -1.464
276 HD2 LYS 45 HD2 LYS 45 -7.694 7.202 -0.365
277 HD3 LYS 45 HD1 LYS 45 -9.022 8.245 -0.869
278 HE2 LYS 45 HE2 LYS 45 -9.921 8.294 1.336
279 HE3 LYS 45 HE1 LYS 45 -8.822 7.026 1.876
280 HZ1 LYS 45 HZ1 LYS 45 -8.150 9.283 2.566
281 HZ2 LYS 45 HZ2 LYS 45 -7.940 9.698 0.936
282 HZ3 LYS 45 HZ3 LYS 45 -6.978 8.487 1.639
283 H GLN 112 H GLN 112 7.794 10.187 6.761
284 HA GLN 112 HA GLN 112 8.614 7.998 6.037
285 HB2 GLN 112 HB2 GLN 112 5.658 8.308 6.567
286 HB3 GLN 112 HB1 GLN 112 6.473 6.752 6.560
287 HG2 GLN 112 HG2 GLN 112 6.317 7.379 8.805
288 HG3 GLN 112 HG1 GLN 112 7.987 7.688 8.350
289 HE21 GLN 112 HE21 GLN 112 8.289 9.169 9.991
290 HE22 GLN 112 HE22 GLN 112 7.579 10.748 9.958
291 H ILE 113 HN ILE 113 9.162 7.120 4.181
292 HA ILE 113 HA ILE 113 7.323 7.303 1.904
293 HB ILE 113 HB ILE 113 10.242 6.526 1.972
294 HG12 ILE 113 HG12 ILE 113 9.912 8.888 2.499
295 HG13 ILE 113 HG11 ILE 113 10.612 8.718 0.892
296 HG21 ILE 113 HG21 ILE 113 9.076 5.449 0.126
297 HG22 ILE 113 HG22 ILE 113 10.149 6.715 -0.474
298 HG23 ILE 113 HG23 ILE 113 8.411 7.002 -0.380
299 HD11 ILE 113 HD11 ILE 113 8.417 9.096 -0.101
300 HD12 ILE 113 HD12 ILE 113 8.904 10.438 0.937
301 HD13 ILE 113 HD13 ILE 113 7.718 9.265 1.510
302 HA PRO 114 HA PRO 114 6.415 2.948 2.804
303 HB2 PRO 114 HB2 PRO 114 4.568 3.183 0.558
304 HB3 PRO 114 HB1 PRO 114 4.227 2.816 2.249
305 HG2 PRO 114 HG2 PRO 114 3.536 5.160 1.072
306 HG3 PRO 114 HG1 PRO 114 3.916 5.017 2.798
307 HD2 PRO 114 HD2 PRO 114 5.586 6.079 0.564
308 HD3 PRO 114 HD1 PRO 114 5.459 6.621 2.251
309 HA PRO 115 HA PRO 115 9.055 1.271 -0.498
310 HB2 PRO 115 HB2 PRO 115 8.134 -1.264 0.729
311 HB3 PRO 115 HB1 PRO 115 9.773 -0.705 0.399
312 HG2 PRO 115 HG2 PRO 115 8.807 -0.771 2.885
313 HG3 PRO 115 HG1 PRO 115 9.889 0.527 2.348
314 HD2 PRO 115 HD2 PRO 115 6.930 0.566 2.750
315 HD3 PRO 115 HD1 PRO 115 8.141 1.826 3.075
316 HA PRO 116 HA PRO 116 5.864 0.316 -3.560
317 HB2 PRO 116 HB2 PRO 116 7.894 -0.770 -5.190
318 HB3 PRO 116 HB1 PRO 116 7.222 0.866 -5.286
319 HG2 PRO 116 HG2 PRO 116 9.605 -0.121 -3.783
320 HG3 PRO 116 HG1 PRO 116 9.416 1.365 -4.752
321 HD2 PRO 116 HD2 PRO 116 9.170 1.607 -2.234
322 HD3 PRO 116 HD1 PRO 116 7.877 2.253 -3.213
323 H TYR 117 HN TYR 117 5.892 -1.191 -4.963
324 HA TYR 117 HA TYR 117 5.425 -3.765 -3.686
325 HB2 TYR 117 HB2 TYR 117 3.897 -4.274 -5.323
326 HB3 TYR 117 HB1 TYR 117 3.809 -2.525 -5.315
327 HD1 TYR 117 HD2 TYR 117 5.055 -5.461 -7.163
328 HD2 TYR 117 HD1 TYR 117 4.359 -1.263 -7.284
329 HE1 TYR 117 HE2 TYR 117 5.395 -5.483 -9.596
330 HE2 TYR 117 HE1 TYR 117 4.685 -1.280 -9.719
331 HH TYR 117 HH TYR 117 4.814 -4.164 -11.556
332 H VAL 118 HN VAL 118 6.686 -5.512 -3.856
333 HA VAL 118 HA VAL 118 8.730 -5.551 -5.979
334 HB VAL 118 HB VAL 118 9.927 -7.210 -4.539
335 HG11 VAL 118 HG11 VAL 118 10.590 -4.873 -4.513
336 HG12 VAL 118 HG12 VAL 118 10.757 -5.574 -2.904
337 HG13 VAL 118 HG13 VAL 118 9.386 -4.526 -3.272
338 HG21 VAL 118 HG21 VAL 118 9.290 -7.396 -2.173
339 HG22 VAL 118 HG22 VAL 118 8.035 -8.023 -3.242
340 HG23 VAL 118 HG23 VAL 118 7.845 -6.437 -2.495
341 H GLU 119 HN GLU 119 5.869 -6.873 -4.857
342 HA GLU 119 HA GLU 119 6.180 -9.342 -6.409
343 HB2 GLU 119 HB2 GLU 119 3.615 -8.808 -5.037
344 HB3 GLU 119 HB1 GLU 119 4.572 -10.280 -5.095
345 HG2 GLU 119 HG2 GLU 119 4.727 -9.755 -2.879
346 HG3 GLU 119 HG1 GLU 119 6.166 -8.950 -3.500
347 HA PRO 120 HA PRO 120 4.266 -6.809 -9.626
348 HB2 PRO 120 HB2 PRO 120 4.557 -9.287 -11.201
349 HB3 PRO 120 HB1 PRO 120 5.186 -7.668 -11.524
350 HG2 PRO 120 HG2 PRO 120 6.798 -9.668 -10.759
351 HG3 PRO 120 HG1 PRO 120 7.072 -7.997 -10.231
352 HD2 PRO 120 HD2 PRO 120 5.847 -10.285 -8.736
353 HD3 PRO 120 HD1 PRO 120 6.979 -9.042 -8.165
Start of MODEL 5
1 H PHE 12 H PHE 12 -15.342 -2.486 -1.561
2 HA PHE 12 HA PHE 12 -13.720 -3.637 -0.231
3 HB2 PHE 12 HB2 PHE 12 -14.137 -5.840 -1.458
4 HB3 PHE 12 HB1 PHE 12 -13.083 -5.230 -2.727
5 HD1 PHE 12 HD2 PHE 12 -13.063 -5.594 0.987
6 HD2 PHE 12 HD1 PHE 12 -10.893 -5.908 -2.658
7 HE1 PHE 12 HE2 PHE 12 -11.110 -6.428 2.227
8 HE2 PHE 12 HE1 PHE 12 -8.934 -6.743 -1.426
9 HZ PHE 12 HZ PHE 12 -9.041 -7.003 1.023
10 H LEU 13 HN LEU 13 -11.251 -3.400 -0.701
11 HA LEU 13 HA LEU 13 -10.908 -0.849 -1.935
12 HB2 LEU 13 HB2 LEU 13 -8.545 -1.094 -1.265
13 HB3 LEU 13 HB1 LEU 13 -9.663 -1.364 0.054
14 HG LEU 13 HG LEU 13 -9.315 -3.898 -0.616
15 HD11 LEU 13 HD11 LEU 13 -6.759 -2.607 -1.539
16 HD12 LEU 13 HD12 LEU 13 -7.921 -3.461 -2.554
17 HD13 LEU 13 HD13 LEU 13 -7.022 -4.337 -1.315
18 HD21 LEU 13 HD21 LEU 13 -7.305 -2.285 0.947
19 HD22 LEU 13 HD22 LEU 13 -7.555 -4.026 1.070
20 HD23 LEU 13 HD23 LEU 13 -8.834 -2.915 1.561
21 HA PRO 14 HA PRO 14 -9.831 -1.548 -6.102
22 HB2 PRO 14 HB2 PRO 14 -7.280 -0.216 -5.350
23 HB3 PRO 14 HB1 PRO 14 -8.281 0.008 -6.789
24 HG2 PRO 14 HG2 PRO 14 -8.505 1.668 -4.923
25 HG3 PRO 14 HG1 PRO 14 -10.000 1.006 -5.535
26 HD2 PRO 14 HD2 PRO 14 -8.533 0.324 -2.997
27 HD3 PRO 14 HD1 PRO 14 -10.280 0.534 -3.256
28 H LYS 15 HN LYS 15 -8.711 -2.495 -7.480
29 HA LYS 15 HA LYS 15 -7.477 -4.964 -6.616
30 HB2 LYS 15 HB2 LYS 15 -8.128 -3.826 -9.320
31 HB3 LYS 15 HB1 LYS 15 -7.190 -5.302 -9.147
32 HG2 LYS 15 HG2 LYS 15 -9.043 -6.316 -7.903
33 HG3 LYS 15 HG1 LYS 15 -9.985 -4.842 -8.139
34 HD2 LYS 15 HD2 LYS 15 -10.691 -6.362 -9.815
35 HD3 LYS 15 HD1 LYS 15 -9.662 -5.168 -10.604
36 HE2 LYS 15 HE2 LYS 15 -8.545 -7.778 -9.642
37 HE3 LYS 15 HE1 LYS 15 -9.346 -7.654 -11.204
38 HZ1 LYS 15 HZ1 LYS 15 -7.739 -5.824 -11.722
39 HZ2 LYS 15 HZ2 LYS 15 -7.049 -7.366 -11.577
40 HZ3 LYS 15 HZ3 LYS 15 -6.888 -6.246 -10.314
41 H GLY 16 HN GLY 16 -5.409 -5.549 -6.695
42 HA2 GLY 16 HA2 GLY 16 -3.116 -5.395 -7.082
43 HA3 GLY 16 HA1 GLY 16 -3.378 -3.920 -8.002
44 H TRP 17 HN TRP 17 -5.050 -3.599 -5.191
45 HA TRP 17 HA TRP 17 -2.898 -2.066 -3.968
46 HB2 TRP 17 HB2 TRP 17 -5.878 -2.120 -3.631
47 HB3 TRP 17 HB1 TRP 17 -4.862 -1.408 -2.381
48 HD1 TRP 17 HD1 TRP 17 -5.470 -0.991 -6.208
49 HE1 TRP 17 HE1 TRP 17 -5.114 1.492 -6.799
50 HE3 TRP 17 HE3 TRP 17 -4.005 0.732 -1.620
51 HZ2 TRP 17 HZ2 TRP 17 -4.325 3.864 -5.489
52 HZ3 TRP 17 HZ3 TRP 17 -3.475 3.118 -1.376
53 HH2 TRP 17 HH2 TRP 17 -3.626 4.652 -3.268
54 H GLU 18 HN GLU 18 -1.651 -3.042 -2.620
55 HA GLU 18 HA GLU 18 -2.572 -5.444 -1.221
56 HB2 GLU 18 HB2 GLU 18 -0.073 -4.553 -2.355
57 HB3 GLU 18 HB1 GLU 18 0.133 -5.152 -0.739
58 HG2 GLU 18 HG2 GLU 18 -1.074 -7.226 -1.462
59 HG3 GLU 18 HG1 GLU 18 -0.975 -6.610 -3.113
60 H VAL 19 HN VAL 19 -2.223 -5.736 0.897
61 HA VAL 19 HA VAL 19 -1.557 -3.373 2.525
62 HB VAL 19 HB VAL 19 -3.310 -5.648 3.460
63 HG11 VAL 19 HG11 VAL 19 -2.208 -4.357 5.214
64 HG12 VAL 19 HG12 VAL 19 -3.952 -4.089 5.226
65 HG13 VAL 19 HG13 VAL 19 -2.878 -2.868 4.546
66 HG21 VAL 19 HG21 VAL 19 -4.449 -4.589 1.599
67 HG22 VAL 19 HG22 VAL 19 -4.205 -3.001 2.326
68 HG23 VAL 19 HG23 VAL 19 -5.248 -4.182 3.117
69 H ARG 20 HN ARG 20 0.643 -3.917 2.669
70 HA ARG 20 HA ARG 20 1.233 -6.540 3.838
71 HB2 ARG 20 HB2 ARG 20 2.436 -5.747 1.706
72 HB3 ARG 20 HB1 ARG 20 3.282 -4.614 2.765
73 HG2 ARG 20 HG2 ARG 20 3.804 -6.749 4.174
74 HG3 ARG 20 HG1 ARG 20 3.454 -7.592 2.666
75 HD2 ARG 20 HD2 ARG 20 5.512 -5.431 3.072
76 HD3 ARG 20 HD1 ARG 20 5.839 -7.153 2.906
77 HE ARG 20 HE ARG 20 4.469 -6.480 0.635
78 HH11 ARG 20 HH11 ARG 20 7.419 -5.392 2.187
79 HH12 ARG 20 HH12 ARG 20 8.177 -4.937 0.686
80 HH21 ARG 20 HH21 ARG 20 5.488 -5.878 -1.331
81 HH22 ARG 20 HH22 ARG 20 7.093 -5.199 -1.282
82 H HIS 21 HN HIS 21 2.050 -6.749 5.824
83 HA HIS 21 HA HIS 21 2.335 -4.334 7.460
84 HB2 HIS 21 HB2 HIS 21 1.352 -6.902 7.962
85 HB3 HIS 21 HB1 HIS 21 2.920 -6.887 8.752
86 HD1 HIS 21 HD1 HIS 21 1.511 -7.249 10.908
87 HD2 HIS 21 HD2 HIS 21 1.052 -3.446 9.166
88 HE1 HIS 21 HE1 HIS 21 0.429 -5.817 12.657
89 HE2 HIS 21 HE2 HIS 21 -0.056 -3.639 11.510
90 H ALA 22 HN ALA 22 4.289 -3.413 7.341
91 HA ALA 22 HA ALA 22 6.638 -4.670 6.428
92 HB1 ALA 22 HB1 ALA 22 6.252 -2.250 6.311
93 HB2 ALA 22 HB2 ALA 22 7.768 -2.626 7.130
94 HB3 ALA 22 HB3 ALA 22 6.352 -2.153 8.069
95 HA PRO 23 HA PRO 23 8.437 -6.680 9.929
96 HB2 PRO 23 HB2 PRO 23 10.885 -5.021 9.714
97 HB3 PRO 23 HB1 PRO 23 10.698 -6.776 9.635
98 HG2 PRO 23 HG2 PRO 23 11.200 -5.346 7.438
99 HG3 PRO 23 HG1 PRO 23 10.113 -6.746 7.394
100 HD2 PRO 23 HD2 PRO 23 9.450 -3.828 7.426
101 HD3 PRO 23 HD1 PRO 23 8.684 -5.149 6.518
102 H ASN 24 HN ASN 24 8.231 -3.237 9.950
103 HA ASN 24 HA ASN 24 8.898 -2.956 12.741
104 HB2 ASN 24 HB2 ASN 24 8.082 -0.598 12.445
105 HB3 ASN 24 HB1 ASN 24 9.411 -1.046 11.386
106 HD21 ASN 24 HD21 ASN 24 8.906 0.624 9.973
107 HD22 ASN 24 HD22 ASN 24 7.542 0.534 8.907
108 H GLY 25 HN GLY 25 6.278 -3.924 10.902
109 HA2 GLY 25 HA2 GLY 25 4.363 -4.922 11.784
110 HA3 GLY 25 HA1 GLY 25 4.626 -4.046 13.271
111 H ARG 26 HN ARG 26 4.545 -2.641 10.057
112 HA ARG 26 HA ARG 26 1.949 -1.395 10.689
113 HB2 ARG 26 HB2 ARG 26 4.357 -0.131 9.365
114 HB3 ARG 26 HB1 ARG 26 2.764 0.607 9.406
115 HG2 ARG 26 HG2 ARG 26 4.477 -0.052 11.794
116 HG3 ARG 26 HG1 ARG 26 4.235 1.550 11.098
117 HD2 ARG 26 HD2 ARG 26 1.727 1.104 11.520
118 HD3 ARG 26 HD1 ARG 26 2.294 -0.170 12.601
119 HE ARG 26 HE ARG 26 3.379 2.515 12.978
120 HH11 ARG 26 HH11 ARG 26 1.244 -0.025 14.125
121 HH12 ARG 26 HH12 ARG 26 0.979 0.728 15.665
122 HH21 ARG 26 HH21 ARG 26 3.029 3.498 14.974
123 HH22 ARG 26 HH22 ARG 26 2.007 2.736 16.163
124 HA PRO 27 HA PRO 27 0.976 -2.909 6.563
125 HB2 PRO 27 HB2 PRO 27 -1.566 -2.084 6.440
126 HB3 PRO 27 HB1 PRO 27 -1.108 -3.375 7.555
127 HG2 PRO 27 HG2 PRO 27 -1.471 -0.444 8.116
128 HG3 PRO 27 HG1 PRO 27 -2.120 -1.833 9.015
129 HD2 PRO 27 HD2 PRO 27 0.138 -0.587 9.789
130 HD3 PRO 27 HD1 PRO 27 -0.118 -2.265 10.042
131 H PHE 28 HN PHE 28 1.950 -1.800 5.012
132 HA PHE 28 HA PHE 28 0.986 0.882 4.340
133 HB2 PHE 28 HB2 PHE 28 3.014 1.035 2.888
134 HB3 PHE 28 HB1 PHE 28 3.382 0.873 4.592
135 HD1 PHE 28 HD1 PHE 28 3.509 -1.867 5.218
136 HD2 PHE 28 HD2 PHE 28 4.536 0.001 1.526
137 HE1 PHE 28 HE1 PHE 28 5.054 -3.702 4.717
138 HE2 PHE 28 HE2 PHE 28 6.058 -1.853 1.023
139 HZ PHE 28 HZ PHE 28 6.323 -3.704 2.614
140 H PHE 29 HN PHE 29 -0.201 1.166 2.598
141 HA PHE 29 HA PHE 29 -1.028 -1.241 1.197
142 HB2 PHE 29 HB2 PHE 29 -2.207 1.551 1.111
143 HB3 PHE 29 HB1 PHE 29 -2.898 0.107 0.374
144 HD1 PHE 29 HD1 PHE 29 -1.746 1.309 3.719
145 HD2 PHE 29 HD2 PHE 29 -4.547 -0.995 1.500
146 HE1 PHE 29 HE1 PHE 29 -2.975 0.816 5.790
147 HE2 PHE 29 HE2 PHE 29 -5.780 -1.493 3.566
148 HZ PHE 29 HZ PHE 29 -4.991 -0.592 5.715
149 H ILE 30 HN ILE 30 -0.090 -1.755 -0.602
150 HA ILE 30 HA ILE 30 1.337 0.308 -2.102
151 HB ILE 30 HB ILE 30 1.445 -2.652 -2.650
152 HG12 ILE 30 HG12 ILE 30 3.307 -1.052 -0.936
153 HG13 ILE 30 HG11 ILE 30 2.069 -2.111 -0.279
154 HG21 ILE 30 HG21 ILE 30 3.603 -2.041 -3.658
155 HG22 ILE 30 HG22 ILE 30 3.307 -0.352 -3.243
156 HG23 ILE 30 HG23 ILE 30 2.263 -1.172 -4.404
157 HD11 ILE 30 HD11 ILE 30 3.150 -4.017 -1.368
158 HD12 ILE 30 HD12 ILE 30 4.229 -3.194 -0.243
159 HD13 ILE 30 HD13 ILE 30 4.406 -2.942 -1.979
160 H ASP 31 HN ASP 31 0.594 1.076 -3.867
161 HA ASP 31 HA ASP 31 -1.586 -0.253 -5.284
162 HB2 ASP 31 HB2 ASP 31 -2.033 2.038 -5.192
163 HB3 ASP 31 HB1 ASP 31 -0.348 2.478 -5.448
164 H HIS 32 HN HIS 32 -0.939 -1.849 -6.495
165 HA HIS 32 HA HIS 32 1.716 -1.899 -7.622
166 HB2 HIS 32 HB2 HIS 32 -0.535 -3.920 -7.574
167 HB3 HIS 32 HB1 HIS 32 1.019 -4.227 -8.328
168 HD1 HIS 32 HD1 HIS 32 2.014 -5.956 -6.730
169 HD2 HIS 32 HD2 HIS 32 0.554 -2.609 -4.750
170 HE1 HIS 32 HE1 HIS 32 2.612 -6.241 -4.276
171 HE2 HIS 32 HE2 HIS 32 1.488 -4.359 -3.120
172 H ASN 33 HN ASN 33 -1.079 -0.515 -8.572
173 HA ASN 33 HA ASN 33 -0.929 -1.190 -11.399
174 HB2 ASN 33 HB2 ASN 33 -2.608 0.926 -10.026
175 HB3 ASN 33 HB1 ASN 33 -2.786 0.371 -11.685
176 HD21 ASN 33 HD21 ASN 33 -3.349 -0.306 -8.355
177 HD22 ASN 33 HD22 ASN 33 -4.406 -1.664 -8.594
178 H THR 34 HN THR 34 -0.980 1.933 -9.673
179 HA THR 34 HA THR 34 0.546 3.179 -11.798
180 HB THR 34 HB THR 34 0.086 4.730 -9.339
181 HG1 THR 34 HG1 THR 34 -1.824 3.716 -9.129
182 HG21 THR 34 HG21 THR 34 -0.670 5.150 -12.237
183 HG22 THR 34 HG22 THR 34 0.791 5.745 -11.449
184 HG23 THR 34 HG23 THR 34 -0.786 6.359 -10.957
185 H LYS 35 HN LYS 35 1.242 1.407 -9.105
186 HA LYS 35 HA LYS 35 3.206 0.786 -8.156
187 HB2 LYS 35 HB2 LYS 35 4.584 2.835 -9.901
188 HB3 LYS 35 HB1 LYS 35 5.305 1.433 -9.127
189 HG2 LYS 35 HG2 LYS 35 3.364 1.443 -11.430
190 HG3 LYS 35 HG1 LYS 35 5.067 0.985 -11.465
191 HD2 LYS 35 HD2 LYS 35 4.563 -0.907 -9.971
192 HD3 LYS 35 HD1 LYS 35 2.860 -0.454 -9.990
193 HE2 LYS 35 HE2 LYS 35 2.763 -0.844 -12.388
194 HE3 LYS 35 HE1 LYS 35 4.482 -1.233 -12.412
195 HZ1 LYS 35 HZ1 LYS 35 2.351 -2.759 -11.007
196 HZ2 LYS 35 HZ2 LYS 35 4.004 -3.119 -10.939
197 HZ3 LYS 35 HZ3 LYS 35 3.174 -3.245 -12.409
198 H THR 36 HN THR 36 1.524 2.880 -7.123
199 HA THR 36 HA THR 36 3.467 4.679 -5.821
200 HB THR 36 HB THR 36 1.517 6.119 -5.273
201 HG1 THR 36 HG1 THR 36 0.117 4.197 -6.863
202 HG21 THR 36 HG21 THR 36 1.863 5.508 -8.209
203 HG22 THR 36 HG22 THR 36 2.869 6.592 -7.248
204 HG23 THR 36 HG23 THR 36 1.174 6.988 -7.542
205 H THR 37 HN THR 37 3.305 5.012 -3.511
206 HA THR 37 HA THR 37 1.894 2.813 -2.147
207 HB THR 37 HB THR 37 3.832 3.111 -0.434
208 HG1 THR 37 HG1 THR 37 5.743 3.849 -1.372
209 HG21 THR 37 HG21 THR 37 5.145 1.432 -1.635
210 HG22 THR 37 HG22 THR 37 4.267 1.804 -3.118
211 HG23 THR 37 HG23 THR 37 3.418 1.089 -1.748
212 H THR 38 HN THR 38 0.811 3.238 -0.268
213 HA THR 38 HA THR 38 1.100 5.813 1.039
214 HB THR 38 HB THR 38 -0.591 6.268 -0.703
215 HG1 THR 38 HG1 THR 38 -2.346 6.739 1.003
216 HG21 THR 38 HG21 THR 38 -2.796 5.214 -0.579
217 HG22 THR 38 HG22 THR 38 -2.220 4.149 0.705
218 HG23 THR 38 HG23 THR 38 -1.538 4.024 -0.918
219 H TRP 39 HN TRP 39 0.192 5.824 3.188
220 HA TRP 39 HA TRP 39 0.054 3.128 4.304
221 HB2 TRP 39 HB2 TRP 39 0.013 5.768 5.772
222 HB3 TRP 39 HB1 TRP 39 0.298 4.176 6.464
223 HD1 TRP 39 HD1 TRP 39 1.981 6.862 4.340
224 HE1 TRP 39 HE1 TRP 39 4.535 6.442 4.384
225 HE3 TRP 39 HE3 TRP 39 2.030 2.360 6.756
226 HZ2 TRP 39 HZ2 TRP 39 6.316 4.459 5.328
227 HZ3 TRP 39 HZ3 TRP 39 4.189 1.268 7.194
228 HH2 TRP 39 HH2 TRP 39 6.286 2.295 6.493
229 H GLU 40 HN GLU 40 -2.103 5.317 3.110
230 HA GLU 40 HA GLU 40 -4.066 4.955 5.224
231 HB2 GLU 40 HB2 GLU 40 -5.280 6.777 4.179
232 HB3 GLU 40 HB1 GLU 40 -3.601 7.223 4.449
233 HG2 GLU 40 HG2 GLU 40 -3.934 8.064 2.371
234 HG3 GLU 40 HG1 GLU 40 -3.311 6.467 1.967
235 H ASP 41 HN ASP 41 -6.364 4.632 4.481
236 HA ASP 41 HA ASP 41 -6.275 2.112 3.008
237 HB2 ASP 41 HB2 ASP 41 -8.375 3.293 4.833
238 HB3 ASP 41 HB1 ASP 41 -8.530 1.745 4.023
239 HA PRO 42 HA PRO 42 -8.425 4.148 -0.410
240 HB2 PRO 42 HB2 PRO 42 -8.496 1.963 -2.011
241 HB3 PRO 42 HB1 PRO 42 -7.055 2.973 -1.840
242 HG2 PRO 42 HG2 PRO 42 -7.723 0.386 -0.482
243 HG3 PRO 42 HG1 PRO 42 -6.202 0.888 -1.242
244 HD2 PRO 42 HD2 PRO 42 -6.562 0.994 1.433
245 HD3 PRO 42 HD1 PRO 42 -5.590 2.209 0.574
246 H ARG 43 HN ARG 43 -9.316 1.592 1.640
247 HA ARG 43 HA ARG 43 -11.858 0.965 0.511
248 HB2 ARG 43 HB2 ARG 43 -12.328 0.015 2.811
249 HB3 ARG 43 HB1 ARG 43 -10.926 -0.652 1.987
250 HG2 ARG 43 HG2 ARG 43 -9.432 0.606 3.339
251 HG3 ARG 43 HG1 ARG 43 -10.755 1.548 4.024
252 HD2 ARG 43 HD2 ARG 43 -9.888 -0.192 5.558
253 HD3 ARG 43 HD1 ARG 43 -11.598 -0.374 5.185
254 HE ARG 43 HE ARG 43 -11.089 -2.266 3.868
255 HH11 ARG 43 HH11 ARG 43 -8.212 -0.929 5.411
256 HH12 ARG 43 HH12 ARG 43 -7.370 -2.453 5.394
257 HH21 ARG 43 HH21 ARG 43 -9.959 -4.252 3.883
258 HH22 ARG 43 HH22 ARG 43 -8.342 -4.313 4.528
259 H LEU 44 HN LEU 44 -10.659 3.479 2.569
260 HA LEU 44 HA LEU 44 -13.254 4.316 3.474
261 HB2 LEU 44 HB2 LEU 44 -10.600 5.729 3.653
262 HB3 LEU 44 HB1 LEU 44 -12.069 6.224 4.471
263 HG LEU 44 HG LEU 44 -10.537 3.673 4.976
264 HD11 LEU 44 HD11 LEU 44 -10.045 4.679 7.145
265 HD12 LEU 44 HD12 LEU 44 -10.879 6.153 6.650
266 HD13 LEU 44 HD13 LEU 44 -9.403 5.652 5.821
267 HD21 LEU 44 HD21 LEU 44 -12.093 3.337 6.831
268 HD22 LEU 44 HD22 LEU 44 -12.939 3.356 5.285
269 HD23 LEU 44 HD23 LEU 44 -12.998 4.769 6.339
270 H LYS 45 HN LYS 45 -11.673 4.537 0.660
271 HA LYS 45 HA LYS 45 -13.235 6.760 -0.317
272 HB2 LYS 45 HB2 LYS 45 -11.021 7.743 -1.314
273 HB3 LYS 45 HB1 LYS 45 -11.500 8.152 0.327
274 HG2 LYS 45 HG2 LYS 45 -9.873 6.799 1.276
275 HG3 LYS 45 HG1 LYS 45 -9.680 5.837 -0.190
276 HD2 LYS 45 HD2 LYS 45 -9.060 8.717 -0.422
277 HD3 LYS 45 HD1 LYS 45 -7.954 7.757 0.563
278 HE2 LYS 45 HE2 LYS 45 -7.238 7.893 -1.789
279 HE3 LYS 45 HE1 LYS 45 -7.576 6.238 -1.285
280 HZ1 LYS 45 HZ1 LYS 45 -8.479 6.731 -3.478
281 HZ2 LYS 45 HZ2 LYS 45 -9.427 7.977 -2.833
282 HZ3 LYS 45 HZ3 LYS 45 -9.720 6.365 -2.382
283 H GLN 112 H GLN 112 8.525 10.995 5.719
284 HA GLN 112 HA GLN 112 7.695 8.300 6.617
285 HB2 GLN 112 HB2 GLN 112 6.149 10.119 7.264
286 HB3 GLN 112 HB1 GLN 112 6.064 10.632 5.584
287 HG2 GLN 112 HG2 GLN 112 5.153 8.368 5.033
288 HG3 GLN 112 HG1 GLN 112 5.065 8.056 6.766
289 HE21 GLN 112 HE21 GLN 112 3.543 9.150 8.011
290 HE22 GLN 112 HE22 GLN 112 2.208 9.993 7.295
291 H ILE 113 HN ILE 113 8.067 6.845 5.093
292 HA ILE 113 HA ILE 113 7.395 7.434 2.341
293 HB ILE 113 HB ILE 113 9.680 8.179 2.319
294 HG12 ILE 113 HG12 ILE 113 10.703 6.530 0.721
295 HG13 ILE 113 HG11 ILE 113 9.377 5.434 1.088
296 HG21 ILE 113 HG21 ILE 113 11.560 6.738 2.952
297 HG22 ILE 113 HG22 ILE 113 10.422 5.520 3.526
298 HG23 ILE 113 HG23 ILE 113 10.500 7.094 4.317
299 HD11 ILE 113 HD11 ILE 113 8.990 6.634 -0.988
300 HD12 ILE 113 HD12 ILE 113 9.110 8.173 -0.133
301 HD13 ILE 113 HD13 ILE 113 7.785 7.064 0.225
302 HA PRO 114 HA PRO 114 6.292 3.153 3.088
303 HB2 PRO 114 HB2 PRO 114 4.355 3.048 1.192
304 HB3 PRO 114 HB1 PRO 114 4.113 3.743 2.796
305 HG2 PRO 114 HG2 PRO 114 4.368 5.084 0.190
306 HG3 PRO 114 HG1 PRO 114 3.617 5.661 1.683
307 HD2 PRO 114 HD2 PRO 114 6.180 6.335 0.641
308 HD3 PRO 114 HD1 PRO 114 5.468 6.841 2.183
309 HA PRO 115 HA PRO 115 9.022 1.446 -0.123
310 HB2 PRO 115 HB2 PRO 115 8.076 -1.006 1.269
311 HB3 PRO 115 HB1 PRO 115 9.712 -0.516 0.853
312 HG2 PRO 115 HG2 PRO 115 8.868 -0.370 3.357
313 HG3 PRO 115 HG1 PRO 115 9.890 0.911 2.678
314 HD2 PRO 115 HD2 PRO 115 6.944 0.897 3.175
315 HD3 PRO 115 HD1 PRO 115 8.123 2.210 3.383
316 HA PRO 116 HA PRO 116 5.951 0.182 -3.201
317 HB2 PRO 116 HB2 PRO 116 8.029 -1.073 -4.640
318 HB3 PRO 116 HB1 PRO 116 7.371 0.546 -4.926
319 HG2 PRO 116 HG2 PRO 116 9.698 -0.287 -3.252
320 HG3 PRO 116 HG1 PRO 116 9.550 1.094 -4.371
321 HD2 PRO 116 HD2 PRO 116 9.233 1.584 -1.896
322 HD3 PRO 116 HD1 PRO 116 7.980 2.142 -2.978
323 H TYR 117 HN TYR 117 6.012 -1.442 -4.434
324 HA TYR 117 HA TYR 117 5.338 -3.889 -3.022
325 HB2 TYR 117 HB2 TYR 117 4.345 -4.639 -5.101
326 HB3 TYR 117 HB1 TYR 117 3.876 -2.972 -4.794
327 HD1 TYR 117 HD2 TYR 117 5.197 -1.136 -6.029
328 HD2 TYR 117 HD1 TYR 117 5.294 -5.241 -7.128
329 HE1 TYR 117 HE2 TYR 117 5.984 -0.516 -8.267
330 HE2 TYR 117 HE1 TYR 117 6.071 -4.639 -9.367
331 HH TYR 117 HH TYR 117 7.245 -1.560 -10.147
332 H VAL 118 HN VAL 118 6.329 -5.856 -3.121
333 HA VAL 118 HA VAL 118 8.817 -6.039 -4.665
334 HB VAL 118 HB VAL 118 8.895 -6.612 -2.225
335 HG11 VAL 118 HG11 VAL 118 7.188 -8.958 -3.042
336 HG12 VAL 118 HG12 VAL 118 6.704 -7.633 -1.983
337 HG13 VAL 118 HG13 VAL 118 7.969 -8.753 -1.476
338 HG21 VAL 118 HG21 VAL 118 9.537 -8.862 -4.125
339 HG22 VAL 118 HG22 VAL 118 10.193 -8.674 -2.498
340 HG23 VAL 118 HG23 VAL 118 10.572 -7.486 -3.745
341 H GLU 119 HN GLU 119 5.605 -7.140 -4.400
342 HA GLU 119 HA GLU 119 5.921 -9.253 -6.391
343 HB2 GLU 119 HB2 GLU 119 3.469 -8.315 -4.881
344 HB3 GLU 119 HB1 GLU 119 3.570 -9.737 -5.905
345 HG2 GLU 119 HG2 GLU 119 5.296 -9.388 -3.484
346 HG3 GLU 119 HG1 GLU 119 3.679 -10.082 -3.394
347 HA PRO 120 HA PRO 120 5.147 -6.130 -9.511
348 HB2 PRO 120 HB2 PRO 120 4.439 -7.956 -11.492
349 HB3 PRO 120 HB1 PRO 120 6.078 -7.401 -11.146
350 HG2 PRO 120 HG2 PRO 120 4.704 -9.906 -10.290
351 HG3 PRO 120 HG1 PRO 120 6.394 -9.654 -10.765
352 HD2 PRO 120 HD2 PRO 120 5.690 -9.931 -8.192
353 HD3 PRO 120 HD1 PRO 120 6.986 -8.817 -8.682
Start of MODEL 6
1 H PHE 12 H PHE 12 -12.203 -6.922 -1.847
2 HA PHE 12 HA PHE 12 -14.071 -5.509 -2.167
3 HB2 PHE 12 HB2 PHE 12 -14.834 -4.072 -0.228
4 HB3 PHE 12 HB1 PHE 12 -15.301 -5.764 -0.162
5 HD1 PHE 12 HD2 PHE 12 -12.659 -3.439 1.076
6 HD2 PHE 12 HD1 PHE 12 -14.944 -6.963 1.766
7 HE1 PHE 12 HE2 PHE 12 -11.697 -3.619 3.330
8 HE2 PHE 12 HE1 PHE 12 -13.986 -7.143 4.024
9 HZ PHE 12 HZ PHE 12 -12.360 -5.473 4.809
10 H LEU 13 HN LEU 13 -10.940 -5.461 -1.451
11 HA LEU 13 HA LEU 13 -10.757 -2.541 -1.721
12 HB2 LEU 13 HB2 LEU 13 -8.454 -2.694 -1.003
13 HB3 LEU 13 HB1 LEU 13 -9.500 -3.470 0.164
14 HG LEU 13 HG LEU 13 -8.781 -5.632 -1.238
15 HD11 LEU 13 HD11 LEU 13 -7.391 -4.410 -2.808
16 HD12 LEU 13 HD12 LEU 13 -6.416 -5.495 -1.816
17 HD13 LEU 13 HD13 LEU 13 -6.433 -3.765 -1.475
18 HD21 LEU 13 HD21 LEU 13 -7.099 -6.035 0.486
19 HD22 LEU 13 HD22 LEU 13 -8.565 -5.330 1.170
20 HD23 LEU 13 HD23 LEU 13 -7.135 -4.327 0.922
21 HA PRO 14 HA PRO 14 -9.884 -2.490 -5.965
22 HB2 PRO 14 HB2 PRO 14 -7.527 -0.899 -5.088
23 HB3 PRO 14 HB1 PRO 14 -8.615 -0.627 -6.459
24 HG2 PRO 14 HG2 PRO 14 -9.036 0.692 -4.371
25 HG3 PRO 14 HG1 PRO 14 -10.426 -0.158 -5.016
26 HD2 PRO 14 HD2 PRO 14 -8.670 -0.914 -2.678
27 HD3 PRO 14 HD1 PRO 14 -10.443 -0.954 -2.795
28 H LYS 15 HN LYS 15 -8.733 -3.032 -7.517
29 HA LYS 15 HA LYS 15 -7.139 -5.410 -7.092
30 HB2 LYS 15 HB2 LYS 15 -8.828 -5.384 -8.856
31 HB3 LYS 15 HB1 LYS 15 -8.007 -4.048 -9.652
32 HG2 LYS 15 HG2 LYS 15 -6.167 -5.413 -10.248
33 HG3 LYS 15 HG1 LYS 15 -6.705 -6.718 -9.192
34 HD2 LYS 15 HD2 LYS 15 -7.182 -7.254 -11.510
35 HD3 LYS 15 HD1 LYS 15 -8.682 -7.038 -10.610
36 HE2 LYS 15 HE2 LYS 15 -8.827 -5.982 -12.794
37 HE3 LYS 15 HE1 LYS 15 -8.897 -4.775 -11.512
38 HZ1 LYS 15 HZ1 LYS 15 -6.371 -5.444 -12.908
39 HZ2 LYS 15 HZ2 LYS 15 -6.720 -4.081 -11.961
40 HZ3 LYS 15 HZ3 LYS 15 -7.435 -4.260 -13.486
41 H GLY 16 HN GLY 16 -5.006 -5.649 -7.296
42 HA2 GLY 16 HA2 GLY 16 -2.793 -5.079 -7.688
43 HA3 GLY 16 HA1 GLY 16 -3.325 -3.615 -8.504
44 H TRP 17 HN TRP 17 -4.611 -4.321 -5.398
45 HA TRP 17 HA TRP 17 -2.760 -2.394 -4.173
46 HB2 TRP 17 HB2 TRP 17 -5.695 -2.833 -3.833
47 HB3 TRP 17 HB1 TRP 17 -4.770 -2.235 -2.460
48 HD1 TRP 17 HD1 TRP 17 -5.666 -1.258 -6.092
49 HE1 TRP 17 HE1 TRP 17 -5.485 1.298 -6.302
50 HE3 TRP 17 HE3 TRP 17 -3.760 -0.194 -1.465
51 HZ2 TRP 17 HZ2 TRP 17 -4.636 3.477 -4.721
52 HZ3 TRP 17 HZ3 TRP 17 -3.288 2.152 -0.897
53 HH2 TRP 17 HH2 TRP 17 -3.718 3.949 -2.494
54 H GLU 18 HN GLU 18 -1.466 -3.160 -2.669
55 HA GLU 18 HA GLU 18 -2.093 -5.805 -1.531
56 HB2 GLU 18 HB2 GLU 18 -0.295 -5.582 -3.316
57 HB3 GLU 18 HB1 GLU 18 0.716 -4.879 -2.121
58 HG2 GLU 18 HG2 GLU 18 -0.542 -7.578 -1.802
59 HG3 GLU 18 HG1 GLU 18 0.988 -7.318 -2.649
60 H VAL 19 HN VAL 19 -1.781 -6.077 0.474
61 HA VAL 19 HA VAL 19 -1.210 -3.682 2.095
62 HB VAL 19 HB VAL 19 -2.868 -6.025 3.020
63 HG11 VAL 19 HG11 VAL 19 -2.665 -3.180 3.983
64 HG12 VAL 19 HG12 VAL 19 -1.984 -4.604 4.770
65 HG13 VAL 19 HG13 VAL 19 -3.733 -4.418 4.646
66 HG21 VAL 19 HG21 VAL 19 -3.858 -3.495 1.712
67 HG22 VAL 19 HG22 VAL 19 -4.868 -4.723 2.474
68 HG23 VAL 19 HG23 VAL 19 -3.936 -5.120 1.030
69 H ARG 20 HN ARG 20 0.976 -4.047 2.354
70 HA ARG 20 HA ARG 20 1.814 -6.585 3.541
71 HB2 ARG 20 HB2 ARG 20 2.988 -5.540 1.529
72 HB3 ARG 20 HB1 ARG 20 3.577 -4.313 2.649
73 HG2 ARG 20 HG2 ARG 20 5.272 -5.973 2.386
74 HG3 ARG 20 HG1 ARG 20 4.611 -6.099 4.011
75 HD2 ARG 20 HD2 ARG 20 4.960 -8.293 2.927
76 HD3 ARG 20 HD1 ARG 20 3.283 -7.997 3.385
77 HE ARG 20 HE ARG 20 3.156 -7.228 0.882
78 HH11 ARG 20 HH11 ARG 20 4.918 -9.955 2.188
79 HH12 ARG 20 HH12 ARG 20 4.751 -10.919 0.751
80 HH21 ARG 20 HH21 ARG 20 2.938 -8.448 -0.983
81 HH22 ARG 20 HH22 ARG 20 3.613 -10.051 -1.082
82 H HIS 21 HN HIS 21 3.090 -6.609 5.479
83 HA HIS 21 HA HIS 21 2.541 -4.247 7.181
84 HB2 HIS 21 HB2 HIS 21 1.518 -6.732 7.565
85 HB3 HIS 21 HB1 HIS 21 3.027 -6.882 8.450
86 HD1 HIS 21 HD1 HIS 21 1.871 -7.189 10.632
87 HD2 HIS 21 HD2 HIS 21 0.947 -3.468 8.872
88 HE1 HIS 21 HE1 HIS 21 0.578 -5.903 12.354
89 HE2 HIS 21 HE2 HIS 21 -0.142 -3.789 11.208
90 H ALA 22 HN ALA 22 4.358 -3.168 7.455
91 HA ALA 22 HA ALA 22 6.937 -4.103 6.928
92 HB1 ALA 22 HB1 ALA 22 6.077 -1.751 8.613
93 HB2 ALA 22 HB2 ALA 22 6.304 -1.745 6.865
94 HB3 ALA 22 HB3 ALA 22 7.685 -1.999 7.930
95 HA PRO 23 HA PRO 23 8.343 -6.208 10.541
96 HB2 PRO 23 HB2 PRO 23 10.695 -4.951 11.212
97 HB3 PRO 23 HB1 PRO 23 10.529 -6.143 9.919
98 HG2 PRO 23 HG2 PRO 23 10.566 -3.157 9.752
99 HG3 PRO 23 HG1 PRO 23 11.336 -4.350 8.690
100 HD2 PRO 23 HD2 PRO 23 9.062 -3.109 7.989
101 HD3 PRO 23 HD1 PRO 23 9.362 -4.807 7.563
102 H ASN 24 HN ASN 24 7.934 -2.780 10.783
103 HA ASN 24 HA ASN 24 8.054 -2.719 13.669
104 HB2 ASN 24 HB2 ASN 24 7.135 -0.386 13.380
105 HB3 ASN 24 HB1 ASN 24 8.682 -0.671 12.596
106 HD21 ASN 24 HD21 ASN 24 8.279 1.122 11.259
107 HD22 ASN 24 HD22 ASN 24 7.218 0.989 9.900
108 H GLY 25 HN GLY 25 5.958 -3.778 11.358
109 HA2 GLY 25 HA2 GLY 25 3.898 -4.771 11.643
110 HA3 GLY 25 HA1 GLY 25 3.830 -4.099 13.250
111 H ARG 26 HN ARG 26 4.340 -2.400 10.213
112 HA ARG 26 HA ARG 26 1.664 -1.199 10.503
113 HB2 ARG 26 HB2 ARG 26 4.208 0.049 9.427
114 HB3 ARG 26 HB1 ARG 26 2.612 0.750 9.202
115 HG2 ARG 26 HG2 ARG 26 4.009 0.287 11.827
116 HG3 ARG 26 HG1 ARG 26 3.708 1.838 11.038
117 HD2 ARG 26 HD2 ARG 26 1.686 -0.059 12.216
118 HD3 ARG 26 HD1 ARG 26 2.069 1.577 12.750
119 HE ARG 26 HE ARG 26 1.233 1.966 10.214
120 HH11 ARG 26 HH11 ARG 26 -0.160 0.242 12.926
121 HH12 ARG 26 HH12 ARG 26 -1.802 0.479 12.395
122 HH21 ARG 26 HH21 ARG 26 -0.910 2.267 9.504
123 HH22 ARG 26 HH22 ARG 26 -2.234 1.639 10.450
124 HA PRO 27 HA PRO 27 1.176 -2.928 6.402
125 HB2 PRO 27 HB2 PRO 27 -1.442 -2.467 6.112
126 HB3 PRO 27 HB1 PRO 27 -0.866 -3.672 7.272
127 HG2 PRO 27 HG2 PRO 27 -1.717 -0.834 7.765
128 HG3 PRO 27 HG1 PRO 27 -2.160 -2.300 8.663
129 HD2 PRO 27 HD2 PRO 27 -0.162 -0.656 9.453
130 HD3 PRO 27 HD1 PRO 27 -0.189 -2.323 9.832
131 H PHE 28 HN PHE 28 1.999 -1.845 4.841
132 HA PHE 28 HA PHE 28 1.010 0.805 4.133
133 HB2 PHE 28 HB2 PHE 28 3.100 0.928 2.723
134 HB3 PHE 28 HB1 PHE 28 3.374 0.864 4.450
135 HD1 PHE 28 HD1 PHE 28 3.610 -1.776 5.286
136 HD2 PHE 28 HD2 PHE 28 4.656 -0.215 1.451
137 HE1 PHE 28 HE1 PHE 28 5.223 -3.591 4.982
138 HE2 PHE 28 HE2 PHE 28 6.242 -2.056 1.150
139 HZ PHE 28 HZ PHE 28 6.536 -3.743 2.911
140 H PHE 29 HN PHE 29 -0.322 0.964 2.488
141 HA PHE 29 HA PHE 29 -0.902 -1.447 0.970
142 HB2 PHE 29 HB2 PHE 29 -2.365 1.205 0.986
143 HB3 PHE 29 HB1 PHE 29 -2.906 -0.283 0.219
144 HD1 PHE 29 HD2 PHE 29 -1.874 0.922 3.611
145 HD2 PHE 29 HD1 PHE 29 -4.467 -1.528 1.292
146 HE1 PHE 29 HE2 PHE 29 -3.093 0.287 5.652
147 HE2 PHE 29 HE1 PHE 29 -5.696 -2.159 3.326
148 HZ PHE 29 HZ PHE 29 -5.007 -1.255 5.506
149 H ILE 30 HN ILE 30 -0.166 -1.756 -0.963
150 HA ILE 30 HA ILE 30 1.201 0.451 -2.309
151 HB ILE 30 HB ILE 30 1.361 -2.478 -2.998
152 HG12 ILE 30 HG12 ILE 30 3.066 -0.905 -1.110
153 HG13 ILE 30 HG11 ILE 30 1.904 -2.118 -0.620
154 HG21 ILE 30 HG21 ILE 30 3.524 -1.829 -3.959
155 HG22 ILE 30 HG22 ILE 30 3.235 -0.157 -3.478
156 HG23 ILE 30 HG23 ILE 30 2.200 -0.918 -4.686
157 HD11 ILE 30 HD11 ILE 30 4.156 -3.004 -0.553
158 HD12 ILE 30 HD12 ILE 30 4.386 -2.596 -2.253
159 HD13 ILE 30 HD13 ILE 30 3.205 -3.822 -1.792
160 H ASP 31 HN ASP 31 0.502 1.254 -4.149
161 HA ASP 31 HA ASP 31 -1.643 -0.117 -5.607
162 HB2 ASP 31 HB2 ASP 31 -1.888 2.324 -5.312
163 HB3 ASP 31 HB1 ASP 31 -0.362 2.578 -6.155
164 H HIS 32 HN HIS 32 -1.170 -1.448 -7.210
165 HA HIS 32 HA HIS 32 1.643 -1.604 -8.030
166 HB2 HIS 32 HB2 HIS 32 -0.590 -3.651 -8.236
167 HB3 HIS 32 HB1 HIS 32 1.079 -3.933 -8.710
168 HD1 HIS 32 HD1 HIS 32 -0.522 -2.516 -5.583
169 HD2 HIS 32 HD2 HIS 32 2.265 -5.391 -6.629
170 HE1 HIS 32 HE1 HIS 32 0.422 -3.393 -3.451
171 HE2 HIS 32 HE2 HIS 32 1.867 -5.321 -4.125
172 H ASN 33 HN ASN 33 -0.973 -0.105 -9.070
173 HA ASN 33 HA ASN 33 -0.787 -0.792 -11.897
174 HB2 ASN 33 HB2 ASN 33 -2.468 1.348 -10.567
175 HB3 ASN 33 HB1 ASN 33 -2.630 0.766 -12.220
176 HD21 ASN 33 HD21 ASN 33 -3.373 0.215 -8.911
177 HD22 ASN 33 HD22 ASN 33 -4.382 -1.176 -9.142
178 H THR 34 HN THR 34 -0.481 2.103 -9.860
179 HA THR 34 HA THR 34 1.249 3.295 -11.930
180 HB THR 34 HB THR 34 -0.778 4.595 -11.450
181 HG1 THR 34 HG1 THR 34 0.578 6.521 -10.464
182 HG21 THR 34 HG21 THR 34 0.292 4.778 -8.635
183 HG22 THR 34 HG22 THR 34 -1.156 3.908 -9.145
184 HG23 THR 34 HG23 THR 34 -1.094 5.666 -9.270
185 H LYS 35 HN LYS 35 1.460 1.622 -9.155
186 HA LYS 35 HA LYS 35 3.135 1.157 -7.713
187 HB2 LYS 35 HB2 LYS 35 4.682 2.756 -9.732
188 HB3 LYS 35 HB1 LYS 35 5.453 2.105 -8.302
189 HG2 LYS 35 HG2 LYS 35 5.868 0.593 -10.068
190 HG3 LYS 35 HG1 LYS 35 4.667 -0.161 -9.025
191 HD2 LYS 35 HD2 LYS 35 4.058 -0.522 -11.326
192 HD3 LYS 35 HD1 LYS 35 2.901 0.590 -10.593
193 HE2 LYS 35 HE2 LYS 35 4.054 2.479 -11.608
194 HE3 LYS 35 HE1 LYS 35 5.248 1.389 -12.311
195 HZ1 LYS 35 HZ1 LYS 35 3.538 2.042 -13.907
196 HZ2 LYS 35 HZ2 LYS 35 2.340 1.364 -12.923
197 HZ3 LYS 35 HZ3 LYS 35 3.517 0.369 -13.632
198 H THR 36 HN THR 36 1.455 2.992 -6.766
199 HA THR 36 HA THR 36 3.235 4.899 -5.389
200 HB THR 36 HB THR 36 1.172 6.264 -4.935
201 HG1 THR 36 HG1 THR 36 -0.217 4.352 -5.589
202 HG21 THR 36 HG21 THR 36 1.094 7.278 -7.176
203 HG22 THR 36 HG22 THR 36 1.929 5.870 -7.831
204 HG23 THR 36 HG23 THR 36 2.748 6.920 -6.676
205 H THR 37 HN THR 37 3.377 4.734 -3.239
206 HA THR 37 HA THR 37 1.733 2.678 -1.941
207 HB THR 37 HB THR 37 3.676 2.915 -0.208
208 HG1 THR 37 HG1 THR 37 5.598 3.635 -1.177
209 HG21 THR 37 HG21 THR 37 4.094 1.653 -2.922
210 HG22 THR 37 HG22 THR 37 3.255 0.915 -1.556
211 HG23 THR 37 HG23 THR 37 4.984 1.253 -1.452
212 H THR 38 HN THR 38 0.605 3.091 -0.090
213 HA THR 38 HA THR 38 0.968 5.608 1.316
214 HB THR 38 HB THR 38 -0.698 5.960 -0.603
215 HG1 THR 38 HG1 THR 38 -1.014 6.636 2.079
216 HG21 THR 38 HG21 THR 38 -3.000 5.226 -0.206
217 HG22 THR 38 HG22 THR 38 -2.461 4.292 1.190
218 HG23 THR 38 HG23 THR 38 -1.909 3.858 -0.428
219 H TRP 39 HN TRP 39 0.249 5.467 3.500
220 HA TRP 39 HA TRP 39 -0.025 2.730 4.449
221 HB2 TRP 39 HB2 TRP 39 -0.134 5.225 6.134
222 HB3 TRP 39 HB1 TRP 39 0.280 3.596 6.647
223 HD1 TRP 39 HD1 TRP 39 1.713 6.635 4.851
224 HE1 TRP 39 HE1 TRP 39 4.302 6.414 4.845
225 HE3 TRP 39 HE3 TRP 39 2.132 1.899 6.702
226 HZ2 TRP 39 HZ2 TRP 39 6.244 4.466 5.548
227 HZ3 TRP 39 HZ3 TRP 39 4.362 0.927 7.023
228 HH2 TRP 39 HH2 TRP 39 6.373 2.178 6.464
229 H GLU 40 HN GLU 40 -1.893 5.537 3.981
230 HA GLU 40 HA GLU 40 -4.025 4.759 5.728
231 HB2 GLU 40 HB2 GLU 40 -5.092 6.837 4.527
232 HB3 GLU 40 HB1 GLU 40 -3.803 7.039 5.712
233 HG2 GLU 40 HG2 GLU 40 -3.152 6.793 2.824
234 HG3 GLU 40 HG1 GLU 40 -3.689 8.331 3.485
235 H ASP 41 HN ASP 41 -5.659 3.625 5.261
236 HA ASP 41 HA ASP 41 -5.830 1.909 3.134
237 HB2 ASP 41 HB2 ASP 41 -8.126 2.890 4.839
238 HB3 ASP 41 HB1 ASP 41 -8.122 1.423 3.882
239 HA PRO 42 HA PRO 42 -7.677 4.282 -0.217
240 HB2 PRO 42 HB2 PRO 42 -8.456 2.107 -1.687
241 HB3 PRO 42 HB1 PRO 42 -6.810 2.751 -1.695
242 HG2 PRO 42 HG2 PRO 42 -7.932 0.438 -0.163
243 HG3 PRO 42 HG1 PRO 42 -6.387 0.567 -1.025
244 HD2 PRO 42 HD2 PRO 42 -6.540 0.817 1.648
245 HD3 PRO 42 HD1 PRO 42 -5.390 1.769 0.687
246 H ARG 43 HN ARG 43 -9.068 2.164 1.979
247 HA ARG 43 HA ARG 43 -11.777 2.187 1.035
248 HB2 ARG 43 HB2 ARG 43 -10.617 1.472 3.733
249 HB3 ARG 43 HB1 ARG 43 -12.263 1.131 3.203
250 HG2 ARG 43 HG2 ARG 43 -11.391 -0.248 1.407
251 HG3 ARG 43 HG1 ARG 43 -9.750 0.073 1.942
252 HD2 ARG 43 HD2 ARG 43 -11.762 -1.113 3.814
253 HD3 ARG 43 HD1 ARG 43 -10.886 -2.130 2.671
254 HE ARG 43 HE ARG 43 -9.406 -0.387 4.520
255 HH11 ARG 43 HH11 ARG 43 -10.270 -3.584 3.409
256 HH12 ARG 43 HH12 ARG 43 -8.978 -4.378 4.251
257 HH21 ARG 43 HH21 ARG 43 -7.681 -1.393 5.615
258 HH22 ARG 43 HH22 ARG 43 -7.495 -3.129 5.518
259 H LEU 44 HN LEU 44 -9.775 4.320 2.632
260 HA LEU 44 HA LEU 44 -11.799 5.745 4.085
261 HB2 LEU 44 HB2 LEU 44 -8.978 6.548 3.392
262 HB3 LEU 44 HB1 LEU 44 -10.033 7.427 4.482
263 HG LEU 44 HG LEU 44 -9.093 4.598 4.945
264 HD11 LEU 44 HD11 LEU 44 -7.618 5.565 6.643
265 HD12 LEU 44 HD12 LEU 44 -8.104 7.184 6.136
266 HD13 LEU 44 HD13 LEU 44 -7.216 6.141 5.025
267 HD21 LEU 44 HD21 LEU 44 -10.508 6.560 6.746
268 HD22 LEU 44 HD22 LEU 44 -9.931 4.959 7.213
269 HD23 LEU 44 HD23 LEU 44 -11.219 5.119 6.018
270 H LYS 45 HN LYS 45 -11.031 5.481 0.950
271 HA LYS 45 HA LYS 45 -11.700 8.241 0.247
272 HB2 LYS 45 HB2 LYS 45 -10.586 6.018 -1.468
273 HB3 LYS 45 HB1 LYS 45 -10.933 7.647 -2.027
274 HG2 LYS 45 HG2 LYS 45 -8.867 6.818 -0.006
275 HG3 LYS 45 HG1 LYS 45 -8.588 7.450 -1.627
276 HD2 LYS 45 HD2 LYS 45 -9.909 8.977 0.617
277 HD3 LYS 45 HD1 LYS 45 -8.210 9.118 0.173
278 HE2 LYS 45 HE2 LYS 45 -9.214 10.935 -0.882
279 HE3 LYS 45 HE1 LYS 45 -9.072 9.735 -2.162
280 HZ1 LYS 45 HZ1 LYS 45 -11.556 10.084 -0.575
281 HZ2 LYS 45 HZ2 LYS 45 -11.362 9.259 -2.048
282 HZ3 LYS 45 HZ3 LYS 45 -11.253 10.950 -2.001
283 H GLN 112 H GLN 112 7.423 11.410 3.609
284 HA GLN 112 HA GLN 112 7.827 8.960 5.203
285 HB2 GLN 112 HB2 GLN 112 6.245 10.487 6.340
286 HB3 GLN 112 HB1 GLN 112 5.284 10.562 4.870
287 HG2 GLN 112 HG2 GLN 112 4.353 9.037 6.549
288 HG3 GLN 112 HG1 GLN 112 4.751 8.226 5.037
289 HE21 GLN 112 HE21 GLN 112 5.598 8.630 8.383
290 HE22 GLN 112 HE22 GLN 112 6.638 7.247 8.492
291 H ILE 113 HN ILE 113 8.311 7.600 3.566
292 HA ILE 113 HA ILE 113 6.217 7.231 1.553
293 HB ILE 113 HB ILE 113 7.927 6.707 -0.196
294 HG12 ILE 113 HG12 ILE 113 9.853 6.559 1.490
295 HG13 ILE 113 HG11 ILE 113 10.179 7.364 -0.039
296 HG21 ILE 113 HG21 ILE 113 8.312 9.046 -0.829
297 HG22 ILE 113 HG22 ILE 113 7.814 9.545 0.789
298 HG23 ILE 113 HG23 ILE 113 6.662 8.749 -0.283
299 HD11 ILE 113 HD11 ILE 113 9.611 8.726 2.586
300 HD12 ILE 113 HD12 ILE 113 9.951 9.532 1.054
301 HD13 ILE 113 HD13 ILE 113 11.191 8.543 1.825
302 HA PRO 114 HA PRO 114 6.993 3.093 3.041
303 HB2 PRO 114 HB2 PRO 114 4.739 2.010 1.928
304 HB3 PRO 114 HB1 PRO 114 4.782 2.846 3.480
305 HG2 PRO 114 HG2 PRO 114 3.667 3.720 0.921
306 HG3 PRO 114 HG1 PRO 114 3.336 4.312 2.553
307 HD2 PRO 114 HD2 PRO 114 4.964 5.512 0.553
308 HD3 PRO 114 HD1 PRO 114 4.700 6.066 2.215
309 HA PRO 115 HA PRO 115 9.138 1.169 -0.413
310 HB2 PRO 115 HB2 PRO 115 8.182 -1.189 1.166
311 HB3 PRO 115 HB1 PRO 115 9.758 -0.896 0.446
312 HG2 PRO 115 HG2 PRO 115 9.436 -0.534 3.029
313 HG3 PRO 115 HG1 PRO 115 10.363 0.655 2.091
314 HD2 PRO 115 HD2 PRO 115 7.593 0.838 3.177
315 HD3 PRO 115 HD1 PRO 115 8.825 2.103 2.991
316 HA PRO 116 HA PRO 116 5.810 -0.146 -3.251
317 HB2 PRO 116 HB2 PRO 116 7.905 -1.152 -4.881
318 HB3 PRO 116 HB1 PRO 116 7.013 0.364 -5.104
319 HG2 PRO 116 HG2 PRO 116 9.575 -0.149 -3.669
320 HG3 PRO 116 HG1 PRO 116 9.117 1.219 -4.718
321 HD2 PRO 116 HD2 PRO 116 8.997 1.602 -2.204
322 HD3 PRO 116 HD1 PRO 116 7.584 2.012 -3.143
323 H TYR 117 HN TYR 117 5.974 -1.771 -4.551
324 HA TYR 117 HA TYR 117 5.623 -4.205 -3.001
325 HB2 TYR 117 HB2 TYR 117 4.392 -5.099 -4.852
326 HB3 TYR 117 HB1 TYR 117 3.901 -3.428 -4.623
327 HD1 TYR 117 HD1 TYR 117 4.466 -1.723 -6.306
328 HD2 TYR 117 HD2 TYR 117 5.579 -5.799 -6.820
329 HE1 TYR 117 HE1 TYR 117 4.896 -1.306 -8.677
330 HE2 TYR 117 HE2 TYR 117 6.024 -5.388 -9.194
331 HH TYR 117 HH TYR 117 5.416 -3.823 -10.948
332 H VAL 118 HN VAL 118 6.890 -5.958 -2.972
333 HA VAL 118 HA VAL 118 9.241 -6.047 -4.677
334 HB VAL 118 HB VAL 118 8.396 -8.015 -2.538
335 HG11 VAL 118 HG11 VAL 118 11.090 -7.478 -3.784
336 HG12 VAL 118 HG12 VAL 118 10.066 -8.879 -4.093
337 HG13 VAL 118 HG13 VAL 118 10.761 -8.631 -2.490
338 HG21 VAL 118 HG21 VAL 118 9.928 -6.820 -1.039
339 HG22 VAL 118 HG22 VAL 118 8.595 -5.794 -1.564
340 HG23 VAL 118 HG23 VAL 118 10.191 -5.602 -2.287
341 H GLU 119 HN GLU 119 6.080 -7.217 -4.616
342 HA GLU 119 HA GLU 119 6.630 -9.008 -6.847
343 HB2 GLU 119 HB2 GLU 119 4.958 -10.645 -5.855
344 HB3 GLU 119 HB1 GLU 119 6.539 -10.581 -5.094
345 HG2 GLU 119 HG2 GLU 119 5.651 -9.238 -3.287
346 HG3 GLU 119 HG1 GLU 119 4.073 -9.195 -4.069
347 HA PRO 120 HA PRO 120 3.039 -6.770 -8.331
348 HB2 PRO 120 HB2 PRO 120 3.364 -8.364 -10.746
349 HB3 PRO 120 HB1 PRO 120 3.581 -6.627 -10.528
350 HG2 PRO 120 HG2 PRO 120 5.643 -8.325 -11.014
351 HG3 PRO 120 HG1 PRO 120 5.818 -6.829 -10.080
352 HD2 PRO 120 HD2 PRO 120 5.568 -9.650 -9.111
353 HD3 PRO 120 HD1 PRO 120 6.613 -8.340 -8.519
Start of MODEL 7
1 H PHE 12 H PHE 12 -12.964 -7.162 -0.422
2 HA PHE 12 HA PHE 12 -14.022 -5.579 -1.912
3 HB2 PHE 12 HB2 PHE 12 -15.152 -4.281 -0.203
4 HB3 PHE 12 HB1 PHE 12 -14.854 -5.906 0.397
5 HD1 PHE 12 HD1 PHE 12 -13.052 -6.281 2.076
6 HD2 PHE 12 HD2 PHE 12 -14.260 -2.381 0.872
7 HE1 PHE 12 HE1 PHE 12 -12.002 -5.337 4.090
8 HE2 PHE 12 HE2 PHE 12 -13.206 -1.431 2.881
9 HZ PHE 12 HZ PHE 12 -12.077 -2.910 4.492
10 H LEU 13 HN LEU 13 -10.941 -4.853 -1.375
11 HA LEU 13 HA LEU 13 -11.286 -2.010 -2.052
12 HB2 LEU 13 HB2 LEU 13 -8.947 -1.710 -1.321
13 HB3 LEU 13 HB1 LEU 13 -9.991 -2.277 -0.035
14 HG LEU 13 HG LEU 13 -9.037 -4.636 -0.797
15 HD11 LEU 13 HD11 LEU 13 -6.692 -4.483 -1.409
16 HD12 LEU 13 HD12 LEU 13 -6.832 -2.729 -1.526
17 HD13 LEU 13 HD13 LEU 13 -7.724 -3.762 -2.644
18 HD21 LEU 13 HD21 LEU 13 -7.356 -4.426 0.960
19 HD22 LEU 13 HD22 LEU 13 -8.882 -3.683 1.442
20 HD23 LEU 13 HD23 LEU 13 -7.533 -2.672 0.921
21 HA PRO 14 HA PRO 14 -9.984 -2.367 -6.184
22 HB2 PRO 14 HB2 PRO 14 -7.650 -0.686 -5.426
23 HB3 PRO 14 HB1 PRO 14 -8.692 -0.585 -6.855
24 HG2 PRO 14 HG2 PRO 14 -9.135 0.998 -4.962
25 HG3 PRO 14 HG1 PRO 14 -10.526 0.114 -5.558
26 HD2 PRO 14 HD2 PRO 14 -8.888 -0.395 -3.072
27 HD3 PRO 14 HD1 PRO 14 -10.655 -0.401 -3.254
28 H LYS 15 HN LYS 15 -8.719 -3.117 -7.570
29 HA LYS 15 HA LYS 15 -7.260 -5.451 -6.680
30 HB2 LYS 15 HB2 LYS 15 -7.134 -6.053 -9.047
31 HB3 LYS 15 HB1 LYS 15 -8.774 -5.601 -8.607
32 HG2 LYS 15 HG2 LYS 15 -8.496 -3.437 -9.643
33 HG3 LYS 15 HG1 LYS 15 -6.806 -3.802 -10.005
34 HD2 LYS 15 HD2 LYS 15 -8.154 -4.141 -11.983
35 HD3 LYS 15 HD1 LYS 15 -7.545 -5.693 -11.403
36 HE2 LYS 15 HE2 LYS 15 -9.723 -6.057 -10.263
37 HE3 LYS 15 HE1 LYS 15 -10.313 -4.568 -10.999
38 HZ1 LYS 15 HZ1 LYS 15 -11.037 -6.337 -12.353
39 HZ2 LYS 15 HZ2 LYS 15 -9.511 -7.071 -12.362
40 HZ3 LYS 15 HZ3 LYS 15 -9.750 -5.613 -13.194
41 H GLY 16 HN GLY 16 -5.083 -5.869 -6.897
42 HA2 GLY 16 HA2 GLY 16 -2.847 -5.416 -7.285
43 HA3 GLY 16 HA1 GLY 16 -3.306 -3.955 -8.149
44 H TRP 17 HN TRP 17 -5.000 -3.673 -5.435
45 HA TRP 17 HA TRP 17 -2.948 -2.092 -4.111
46 HB2 TRP 17 HB2 TRP 17 -5.934 -2.299 -3.840
47 HB3 TRP 17 HB1 TRP 17 -4.981 -1.556 -2.560
48 HD1 TRP 17 HD1 TRP 17 -5.745 -1.079 -6.325
49 HE1 TRP 17 HE1 TRP 17 -5.437 1.413 -6.885
50 HE3 TRP 17 HE3 TRP 17 -3.917 0.549 -1.829
51 HZ2 TRP 17 HZ2 TRP 17 -4.524 3.753 -5.603
52 HZ3 TRP 17 HZ3 TRP 17 -3.345 2.928 -1.588
53 HH2 TRP 17 HH2 TRP 17 -3.641 4.497 -3.435
54 H GLU 18 HN GLU 18 -1.687 -3.053 -2.734
55 HA GLU 18 HA GLU 18 -2.660 -5.499 -1.443
56 HB2 GLU 18 HB2 GLU 18 -0.073 -4.696 -2.585
57 HB3 GLU 18 HB1 GLU 18 -0.014 -5.692 -1.152
58 HG2 GLU 18 HG2 GLU 18 -1.464 -6.359 -3.698
59 HG3 GLU 18 HG1 GLU 18 0.076 -7.025 -3.165
60 H VAL 19 HN VAL 19 -2.295 -5.919 0.580
61 HA VAL 19 HA VAL 19 -1.480 -3.693 2.331
62 HB VAL 19 HB VAL 19 -3.316 -5.943 3.150
63 HG11 VAL 19 HG11 VAL 19 -2.820 -3.208 4.322
64 HG12 VAL 19 HG12 VAL 19 -2.204 -4.735 4.952
65 HG13 VAL 19 HG13 VAL 19 -3.939 -4.417 4.955
66 HG21 VAL 19 HG21 VAL 19 -4.395 -4.775 1.301
67 HG22 VAL 19 HG22 VAL 19 -4.138 -3.231 2.113
68 HG23 VAL 19 HG23 VAL 19 -5.215 -4.432 2.825
69 H ARG 20 HN ARG 20 0.587 -4.165 2.905
70 HA ARG 20 HA ARG 20 1.026 -6.846 4.046
71 HB2 ARG 20 HB2 ARG 20 2.152 -6.447 1.779
72 HB3 ARG 20 HB1 ARG 20 3.170 -5.281 2.619
73 HG2 ARG 20 HG2 ARG 20 3.995 -7.007 4.102
74 HG3 ARG 20 HG1 ARG 20 2.925 -8.193 3.349
75 HD2 ARG 20 HD2 ARG 20 5.170 -6.708 2.027
76 HD3 ARG 20 HD1 ARG 20 5.180 -8.409 2.484
77 HE ARG 20 HE ARG 20 3.071 -7.575 0.658
78 HH11 ARG 20 HH11 ARG 20 6.250 -9.044 0.984
79 HH12 ARG 20 HH12 ARG 20 6.144 -9.846 -0.561
80 HH21 ARG 20 HH21 ARG 20 2.944 -8.658 -1.311
81 HH22 ARG 20 HH22 ARG 20 4.277 -9.644 -1.842
82 H HIS 21 HN HIS 21 2.493 -6.936 5.800
83 HA HIS 21 HA HIS 21 2.606 -4.400 7.284
84 HB2 HIS 21 HB2 HIS 21 2.429 -7.235 8.046
85 HB3 HIS 21 HB1 HIS 21 3.576 -6.314 8.999
86 HD1 HIS 21 HD1 HIS 21 1.264 -7.532 10.394
87 HD2 HIS 21 HD2 HIS 21 1.081 -3.610 8.865
88 HE1 HIS 21 HE1 HIS 21 -0.527 -6.347 11.683
89 HE2 HIS 21 HE2 HIS 21 -0.814 -4.147 10.538
90 H ALA 22 HN ALA 22 4.432 -3.292 7.125
91 HA ALA 22 HA ALA 22 6.941 -4.378 6.356
92 HB1 ALA 22 HB1 ALA 22 7.831 -2.176 6.979
93 HB2 ALA 22 HB2 ALA 22 6.297 -1.774 7.752
94 HB3 ALA 22 HB3 ALA 22 6.365 -2.022 6.006
95 HA PRO 23 HA PRO 23 8.634 -6.126 9.975
96 HB2 PRO 23 HB2 PRO 23 10.932 -4.247 9.934
97 HB3 PRO 23 HB1 PRO 23 10.915 -6.014 9.886
98 HG2 PRO 23 HG2 PRO 23 11.456 -4.600 7.697
99 HG3 PRO 23 HG1 PRO 23 10.477 -6.077 7.611
100 HD2 PRO 23 HD2 PRO 23 9.603 -3.216 7.530
101 HD3 PRO 23 HD1 PRO 23 9.006 -4.604 6.596
102 H ASN 24 HN ASN 24 8.047 -2.739 10.035
103 HA ASN 24 HA ASN 24 8.674 -2.396 12.829
104 HB2 ASN 24 HB2 ASN 24 7.844 -0.133 12.575
105 HB3 ASN 24 HB1 ASN 24 8.931 -0.506 11.244
106 HD21 ASN 24 HD21 ASN 24 6.861 1.510 11.454
107 HD22 ASN 24 HD22 ASN 24 5.781 1.223 10.137
108 H GLY 25 HN GLY 25 6.179 -3.658 10.988
109 HA2 GLY 25 HA2 GLY 25 4.369 -4.818 11.971
110 HA3 GLY 25 HA1 GLY 25 4.490 -3.752 13.355
111 H ARG 26 HN ARG 26 4.498 -2.500 10.111
112 HA ARG 26 HA ARG 26 1.740 -1.530 10.517
113 HB2 ARG 26 HB2 ARG 26 4.161 -0.073 9.437
114 HB3 ARG 26 HB1 ARG 26 2.526 0.476 9.110
115 HG2 ARG 26 HG2 ARG 26 3.667 0.129 11.871
116 HG3 ARG 26 HG1 ARG 26 3.652 1.652 10.980
117 HD2 ARG 26 HD2 ARG 26 1.764 1.824 12.306
118 HD3 ARG 26 HD1 ARG 26 1.107 1.231 10.782
119 HE ARG 26 HE ARG 26 1.776 -0.842 12.681
120 HH11 ARG 26 HH11 ARG 26 -0.717 1.278 11.429
121 HH12 ARG 26 HH12 ARG 26 -2.015 0.400 12.180
122 HH21 ARG 26 HH21 ARG 26 0.043 -1.997 13.672
123 HH22 ARG 26 HH22 ARG 26 -1.592 -1.440 13.449
124 HA PRO 27 HA PRO 27 1.127 -3.111 6.362
125 HB2 PRO 27 HB2 PRO 27 -1.436 -2.393 6.063
126 HB3 PRO 27 HB1 PRO 27 -0.999 -3.662 7.211
127 HG2 PRO 27 HG2 PRO 27 -1.518 -0.747 7.736
128 HG3 PRO 27 HG1 PRO 27 -2.162 -2.160 8.600
129 HD2 PRO 27 HD2 PRO 27 -0.014 -0.822 9.506
130 HD3 PRO 27 HD1 PRO 27 -0.198 -2.517 9.737
131 H PHE 28 HN PHE 28 2.131 -2.008 4.874
132 HA PHE 28 HA PHE 28 1.231 0.672 4.154
133 HB2 PHE 28 HB2 PHE 28 3.284 0.761 2.750
134 HB3 PHE 28 HB1 PHE 28 3.633 0.518 4.450
135 HD1 PHE 28 HD2 PHE 28 3.578 -2.243 4.972
136 HD2 PHE 28 HD1 PHE 28 4.786 -0.311 1.376
137 HE1 PHE 28 HE2 PHE 28 4.987 -4.176 4.410
138 HE2 PHE 28 HE1 PHE 28 6.193 -2.247 0.813
139 HZ PHE 28 HZ PHE 28 6.297 -4.179 2.328
140 H PHE 29 HN PHE 29 -0.010 0.959 2.439
141 HA PHE 29 HA PHE 29 -0.839 -1.425 1.001
142 HB2 PHE 29 HB2 PHE 29 -2.000 1.375 0.958
143 HB3 PHE 29 HB1 PHE 29 -2.686 -0.042 0.166
144 HD1 PHE 29 HD2 PHE 29 -1.620 1.092 3.564
145 HD2 PHE 29 HD1 PHE 29 -4.336 -1.203 1.229
146 HE1 PHE 29 HE2 PHE 29 -2.902 0.549 5.593
147 HE2 PHE 29 HE1 PHE 29 -5.620 -1.745 3.252
148 HZ PHE 29 HZ PHE 29 -4.905 -0.871 5.434
149 H ILE 30 HN ILE 30 0.152 -1.920 -0.755
150 HA ILE 30 HA ILE 30 1.543 0.153 -2.266
151 HB ILE 30 HB ILE 30 1.692 -2.812 -2.785
152 HG12 ILE 30 HG12 ILE 30 3.596 -1.196 -1.136
153 HG13 ILE 30 HG11 ILE 30 2.335 -2.180 -0.414
154 HG21 ILE 30 HG21 ILE 30 3.827 -2.195 -3.832
155 HG22 ILE 30 HG22 ILE 30 3.532 -0.504 -3.429
156 HG23 ILE 30 HG23 ILE 30 2.473 -1.336 -4.568
157 HD11 ILE 30 HD11 ILE 30 3.325 -4.166 -1.441
158 HD12 ILE 30 HD12 ILE 30 4.468 -3.333 -0.386
159 HD13 ILE 30 HD13 ILE 30 4.599 -3.165 -2.138
160 H ASP 31 HN ASP 31 0.871 0.841 -4.112
161 HA ASP 31 HA ASP 31 -1.373 -0.461 -5.447
162 HB2 ASP 31 HB2 ASP 31 -1.614 1.906 -5.380
163 HB3 ASP 31 HB1 ASP 31 0.045 2.165 -5.912
164 H HIS 32 HN HIS 32 -0.821 -2.149 -6.584
165 HA HIS 32 HA HIS 32 1.793 -2.341 -7.819
166 HB2 HIS 32 HB2 HIS 32 -0.488 -4.318 -7.554
167 HB3 HIS 32 HB1 HIS 32 1.043 -4.694 -8.327
168 HD1 HIS 32 HD1 HIS 32 1.918 -6.418 -6.629
169 HD2 HIS 32 HD2 HIS 32 0.777 -2.821 -4.870
170 HE1 HIS 32 HE1 HIS 32 2.668 -6.520 -4.198
171 HE2 HIS 32 HE2 HIS 32 1.767 -4.446 -3.156
172 H ASN 33 HN ASN 33 -0.973 -0.917 -8.665
173 HA ASN 33 HA ASN 33 -1.089 -1.803 -11.436
174 HB2 ASN 33 HB2 ASN 33 -2.609 0.455 -10.110
175 HB3 ASN 33 HB1 ASN 33 -2.963 -0.277 -11.668
176 HD21 ASN 33 HD21 ASN 33 -3.237 -0.538 -8.246
177 HD22 ASN 33 HD22 ASN 33 -4.318 -1.906 -8.233
178 H THR 34 HN THR 34 -0.826 1.369 -9.834
179 HA THR 34 HA THR 34 0.521 2.403 -12.235
180 HB THR 34 HB THR 34 -0.398 4.201 -10.042
181 HG1 THR 34 HG1 THR 34 -2.208 2.965 -10.153
182 HG21 THR 34 HG21 THR 34 -1.047 5.608 -11.953
183 HG22 THR 34 HG22 THR 34 -0.566 4.320 -13.058
184 HG23 THR 34 HG23 THR 34 0.645 5.119 -12.056
185 H LYS 35 HN LYS 35 1.310 1.167 -9.320
186 HA LYS 35 HA LYS 35 3.119 1.163 -7.983
187 HB2 LYS 35 HB2 LYS 35 4.328 2.779 -10.220
188 HB3 LYS 35 HB1 LYS 35 5.225 2.340 -8.781
189 HG2 LYS 35 HG2 LYS 35 5.807 0.752 -10.402
190 HG3 LYS 35 HG1 LYS 35 4.674 -0.065 -9.329
191 HD2 LYS 35 HD2 LYS 35 4.117 -0.642 -11.588
192 HD3 LYS 35 HD1 LYS 35 2.865 0.438 -10.972
193 HE2 LYS 35 HE2 LYS 35 3.481 1.043 -13.245
194 HE3 LYS 35 HE1 LYS 35 3.931 2.321 -12.120
195 HZ1 LYS 35 HZ1 LYS 35 5.654 1.837 -13.784
196 HZ2 LYS 35 HZ2 LYS 35 5.803 0.262 -13.163
197 HZ3 LYS 35 HZ3 LYS 35 6.203 1.597 -12.196
198 H THR 36 HN THR 36 1.997 2.188 -6.403
199 HA THR 36 HA THR 36 2.898 4.880 -5.735
200 HB THR 36 HB THR 36 0.010 4.313 -5.275
201 HG1 THR 36 HG1 THR 36 -0.010 3.914 -7.454
202 HG21 THR 36 HG21 THR 36 1.549 6.813 -5.974
203 HG22 THR 36 HG22 THR 36 1.041 6.324 -4.356
204 HG23 THR 36 HG23 THR 36 -0.167 6.743 -5.573
205 H THR 37 HN THR 37 2.771 5.251 -3.424
206 HA THR 37 HA THR 37 2.076 2.856 -1.880
207 HB THR 37 HB THR 37 4.099 3.336 -0.427
208 HG1 THR 37 HG1 THR 37 5.778 4.485 -1.425
209 HG21 THR 37 HG21 THR 37 3.978 1.419 -1.927
210 HG22 THR 37 HG22 THR 37 5.609 2.091 -1.905
211 HG23 THR 37 HG23 THR 37 4.538 2.417 -3.269
212 H THR 38 HN THR 38 0.949 3.198 -0.086
213 HA THR 38 HA THR 38 1.022 5.766 1.270
214 HB THR 38 HB THR 38 -0.694 6.083 -0.469
215 HG1 THR 38 HG1 THR 38 -2.522 6.323 1.231
216 HG21 THR 38 HG21 THR 38 -2.779 4.790 -0.397
217 HG22 THR 38 HG22 THR 38 -2.096 3.761 0.863
218 HG23 THR 38 HG23 THR 38 -1.392 3.759 -0.755
219 H TRP 39 HN TRP 39 0.152 5.639 3.444
220 HA TRP 39 HA TRP 39 0.193 2.909 4.483
221 HB2 TRP 39 HB2 TRP 39 -0.091 5.497 6.015
222 HB3 TRP 39 HB1 TRP 39 0.244 3.910 6.690
223 HD1 TRP 39 HD1 TRP 39 1.879 6.885 5.094
224 HE1 TRP 39 HE1 TRP 39 4.451 6.577 5.183
225 HE3 TRP 39 HE3 TRP 39 2.050 2.007 6.577
226 HZ2 TRP 39 HZ2 TRP 39 6.294 4.511 5.812
227 HZ3 TRP 39 HZ3 TRP 39 4.235 0.936 6.914
228 HH2 TRP 39 HH2 TRP 39 6.308 2.154 6.543
229 H GLU 40 HN GLU 40 -2.089 5.055 3.359
230 HA GLU 40 HA GLU 40 -4.019 4.310 5.408
231 HB2 GLU 40 HB2 GLU 40 -5.323 6.271 4.641
232 HB3 GLU 40 HB1 GLU 40 -3.721 6.655 5.256
233 HG2 GLU 40 HG2 GLU 40 -4.189 8.029 3.386
234 HG3 GLU 40 HG1 GLU 40 -2.912 6.901 2.957
235 H ASP 41 HN ASP 41 -6.254 4.016 4.736
236 HA ASP 41 HA ASP 41 -6.208 1.858 2.808
237 HB2 ASP 41 HB2 ASP 41 -8.375 2.790 4.702
238 HB3 ASP 41 HB1 ASP 41 -8.484 1.375 3.669
239 HA PRO 42 HA PRO 42 -8.054 4.328 -0.455
240 HB2 PRO 42 HB2 PRO 42 -8.786 2.175 -2.009
241 HB3 PRO 42 HB1 PRO 42 -7.175 2.899 -2.004
242 HG2 PRO 42 HG2 PRO 42 -8.164 0.462 -0.578
243 HG3 PRO 42 HG1 PRO 42 -6.620 0.724 -1.413
244 HD2 PRO 42 HD2 PRO 42 -6.816 0.829 1.266
245 HD3 PRO 42 HD1 PRO 42 -5.713 1.896 0.373
246 H ARG 43 HN ARG 43 -9.586 2.096 1.608
247 HA ARG 43 HA ARG 43 -12.229 2.380 0.509
248 HB2 ARG 43 HB2 ARG 43 -12.928 1.345 2.714
249 HB3 ARG 43 HB1 ARG 43 -11.853 0.372 1.719
250 HG2 ARG 43 HG2 ARG 43 -9.956 1.046 3.095
251 HG3 ARG 43 HG1 ARG 43 -11.026 2.042 4.084
252 HD2 ARG 43 HD2 ARG 43 -12.174 0.149 4.912
253 HD3 ARG 43 HD1 ARG 43 -11.440 -0.911 3.710
254 HE ARG 43 HE ARG 43 -9.271 -0.108 5.014
255 HH11 ARG 43 HH11 ARG 43 -12.383 -1.105 6.313
256 HH12 ARG 43 HH12 ARG 43 -11.682 -1.788 7.754
257 HH21 ARG 43 HH21 ARG 43 -8.382 -1.012 6.904
258 HH22 ARG 43 HH22 ARG 43 -9.433 -1.740 8.086
259 H LEU 44 HN LEU 44 -10.187 4.220 2.541
260 HA LEU 44 HA LEU 44 -12.298 5.664 3.846
261 HB2 LEU 44 HB2 LEU 44 -9.356 6.278 3.687
262 HB3 LEU 44 HB1 LEU 44 -10.505 7.085 4.736
263 HG LEU 44 HG LEU 44 -9.774 4.159 4.897
264 HD11 LEU 44 HD11 LEU 44 -8.957 6.479 6.635
265 HD12 LEU 44 HD12 LEU 44 -7.910 5.580 5.538
266 HD13 LEU 44 HD13 LEU 44 -8.602 4.780 6.949
267 HD21 LEU 44 HD21 LEU 44 -11.445 5.893 6.710
268 HD22 LEU 44 HD22 LEU 44 -10.986 4.220 7.021
269 HD23 LEU 44 HD23 LEU 44 -12.041 4.607 5.661
270 H LYS 45 HN LYS 45 -11.060 5.662 0.853
271 HA LYS 45 HA LYS 45 -11.852 8.438 0.358
272 HB2 LYS 45 HB2 LYS 45 -10.034 8.457 -1.431
273 HB3 LYS 45 HB1 LYS 45 -9.506 8.569 0.238
274 HG2 LYS 45 HG2 LYS 45 -9.051 6.109 0.154
275 HG3 LYS 45 HG1 LYS 45 -9.385 6.177 -1.578
276 HD2 LYS 45 HD2 LYS 45 -7.606 7.895 -1.801
277 HD3 LYS 45 HD1 LYS 45 -7.228 7.675 -0.091
278 HE2 LYS 45 HE2 LYS 45 -6.822 5.258 -0.581
279 HE3 LYS 45 HE1 LYS 45 -7.004 5.632 -2.293
280 HZ1 LYS 45 HZ1 LYS 45 -5.167 7.279 -1.969
281 HZ2 LYS 45 HZ2 LYS 45 -4.718 5.661 -1.821
282 HZ3 LYS 45 HZ3 LYS 45 -4.914 6.605 -0.430
283 H GLN 112 H GLN 112 8.049 10.886 5.379
284 HA GLN 112 HA GLN 112 8.220 8.060 6.237
285 HB2 GLN 112 HB2 GLN 112 5.930 10.032 6.353
286 HB3 GLN 112 HB1 GLN 112 5.789 8.312 6.691
287 HG2 GLN 112 HG2 GLN 112 7.386 8.571 8.548
288 HG3 GLN 112 HG1 GLN 112 7.443 10.302 8.228
289 HE21 GLN 112 HE21 GLN 112 4.620 10.507 7.605
290 HE22 GLN 112 HE22 GLN 112 3.768 10.348 9.109
291 H ILE 113 HN ILE 113 8.554 7.031 4.378
292 HA ILE 113 HA ILE 113 6.610 7.461 2.213
293 HB ILE 113 HB ILE 113 9.577 7.025 1.835
294 HG12 ILE 113 HG12 ILE 113 7.859 9.408 1.103
295 HG13 ILE 113 HG11 ILE 113 8.950 9.342 2.483
296 HG21 ILE 113 HG21 ILE 113 8.282 5.836 0.155
297 HG22 ILE 113 HG22 ILE 113 9.100 7.223 -0.565
298 HG23 ILE 113 HG23 ILE 113 7.375 7.305 -0.210
299 HD11 ILE 113 HD11 ILE 113 9.940 10.553 0.629
300 HD12 ILE 113 HD12 ILE 113 9.749 9.142 -0.409
301 HD13 ILE 113 HD13 ILE 113 10.845 9.078 0.971
302 HA PRO 114 HA PRO 114 6.237 3.029 3.062
303 HB2 PRO 114 HB2 PRO 114 4.358 3.164 0.802
304 HB3 PRO 114 HB1 PRO 114 4.093 2.597 2.453
305 HG2 PRO 114 HG2 PRO 114 3.065 4.914 1.563
306 HG3 PRO 114 HG1 PRO 114 3.600 4.702 3.240
307 HD2 PRO 114 HD2 PRO 114 4.952 6.115 0.984
308 HD3 PRO 114 HD1 PRO 114 4.886 6.532 2.708
309 HA PRO 115 HA PRO 115 9.026 1.634 -0.250
310 HB2 PRO 115 HB2 PRO 115 8.398 -0.949 1.073
311 HB3 PRO 115 HB1 PRO 115 9.962 -0.244 0.673
312 HG2 PRO 115 HG2 PRO 115 9.099 -0.310 3.187
313 HG3 PRO 115 HG1 PRO 115 9.995 1.090 2.567
314 HD2 PRO 115 HD2 PRO 115 7.062 0.777 3.055
315 HD3 PRO 115 HD1 PRO 115 8.117 2.184 3.317
316 HA PRO 116 HA PRO 116 5.997 0.144 -3.268
317 HB2 PRO 116 HB2 PRO 116 8.140 -0.868 -4.799
318 HB3 PRO 116 HB1 PRO 116 7.318 0.685 -5.024
319 HG2 PRO 116 HG2 PRO 116 9.764 0.039 -3.438
320 HG3 PRO 116 HG1 PRO 116 9.449 1.426 -4.514
321 HD2 PRO 116 HD2 PRO 116 9.160 1.829 -2.022
322 HD3 PRO 116 HD1 PRO 116 7.823 2.284 -3.050
323 H TYR 117 HN TYR 117 6.178 -1.439 -4.559
324 HA TYR 117 HA TYR 117 5.776 -3.954 -3.174
325 HB2 TYR 117 HB2 TYR 117 4.800 -4.802 -5.209
326 HB3 TYR 117 HB1 TYR 117 4.214 -3.165 -4.956
327 HD1 TYR 117 HD2 TYR 117 5.081 -1.306 -6.392
328 HD2 TYR 117 HD1 TYR 117 6.072 -5.383 -7.124
329 HE1 TYR 117 HE2 TYR 117 5.814 -0.724 -8.649
330 HE2 TYR 117 HE1 TYR 117 6.813 -4.803 -9.387
331 HH TYR 117 HH TYR 117 7.476 -1.701 -10.351
332 H VAL 118 HN VAL 118 7.221 -5.551 -2.958
333 HA VAL 118 HA VAL 118 9.633 -5.549 -4.575
334 HB VAL 118 HB VAL 118 10.343 -7.449 -3.160
335 HG11 VAL 118 HG11 VAL 118 10.576 -6.187 -1.069
336 HG12 VAL 118 HG12 VAL 118 9.355 -5.046 -1.629
337 HG13 VAL 118 HG13 VAL 118 10.889 -5.184 -2.483
338 HG21 VAL 118 HG21 VAL 118 9.005 -8.073 -1.199
339 HG22 VAL 118 HG22 VAL 118 8.164 -8.434 -2.705
340 HG23 VAL 118 HG23 VAL 118 7.704 -7.020 -1.756
341 H GLU 119 HN GLU 119 6.599 -6.555 -5.000
342 HA GLU 119 HA GLU 119 7.279 -8.429 -7.059
343 HB2 GLU 119 HB2 GLU 119 5.713 -10.188 -6.140
344 HB3 GLU 119 HB1 GLU 119 7.239 -10.013 -5.289
345 HG2 GLU 119 HG2 GLU 119 6.055 -8.601 -3.610
346 HG3 GLU 119 HG1 GLU 119 4.540 -9.009 -4.411
347 HA PRO 120 HA PRO 120 3.824 -6.210 -8.683
348 HB2 PRO 120 HB2 PRO 120 3.482 -7.639 -10.967
349 HB3 PRO 120 HB1 PRO 120 4.799 -6.483 -10.736
350 HG2 PRO 120 HG2 PRO 120 4.834 -9.462 -10.513
351 HG3 PRO 120 HG1 PRO 120 6.040 -8.377 -11.226
352 HD2 PRO 120 HD2 PRO 120 6.298 -9.466 -8.748
353 HD3 PRO 120 HD1 PRO 120 6.991 -7.896 -9.194
Start of MODEL 8
1 H PHE 12 H PHE 12 -11.729 -7.343 0.032
2 HA PHE 12 HA PHE 12 -12.716 -6.663 -1.957
3 HB2 PHE 12 HB2 PHE 12 -14.284 -4.700 -2.004
4 HB3 PHE 12 HB1 PHE 12 -14.942 -6.146 -1.255
5 HD1 PHE 12 HD2 PHE 12 -15.026 -6.254 1.277
6 HD2 PHE 12 HD1 PHE 12 -14.229 -2.659 -0.860
7 HE1 PHE 12 HE2 PHE 12 -15.641 -4.940 3.263
8 HE2 PHE 12 HE1 PHE 12 -14.849 -1.340 1.122
9 HZ PHE 12 HZ PHE 12 -15.555 -2.480 3.188
10 H LEU 13 HN LEU 13 -10.625 -6.150 -2.408
11 HA LEU 13 HA LEU 13 -9.899 -3.334 -1.908
12 HB2 LEU 13 HB2 LEU 13 -8.149 -5.774 -2.101
13 HB3 LEU 13 HB1 LEU 13 -7.512 -4.164 -2.360
14 HG LEU 13 HG LEU 13 -8.465 -3.644 -0.012
15 HD11 LEU 13 HD11 LEU 13 -8.549 -5.565 1.486
16 HD12 LEU 13 HD12 LEU 13 -8.325 -6.648 0.113
17 HD13 LEU 13 HD13 LEU 13 -9.788 -5.669 0.235
18 HD21 LEU 13 HD21 LEU 13 -6.098 -3.723 -0.550
19 HD22 LEU 13 HD22 LEU 13 -6.103 -5.477 -0.378
20 HD23 LEU 13 HD23 LEU 13 -6.404 -4.454 1.026
21 HA PRO 14 HA PRO 14 -9.857 -2.640 -6.357
22 HB2 PRO 14 HB2 PRO 14 -7.584 -1.018 -5.308
23 HB3 PRO 14 HB1 PRO 14 -8.695 -0.641 -6.631
24 HG2 PRO 14 HG2 PRO 14 -9.173 0.372 -4.411
25 HG3 PRO 14 HG1 PRO 14 -10.512 -0.500 -5.124
26 HD2 PRO 14 HD2 PRO 14 -8.624 -1.394 -2.941
27 HD3 PRO 14 HD1 PRO 14 -10.400 -1.556 -3.002
28 H LYS 15 HN LYS 15 -8.637 -2.922 -7.986
29 HA LYS 15 HA LYS 15 -7.196 -5.376 -7.884
30 HB2 LYS 15 HB2 LYS 15 -7.596 -3.417 -10.143
31 HB3 LYS 15 HB1 LYS 15 -6.739 -4.939 -10.334
32 HG2 LYS 15 HG2 LYS 15 -8.831 -5.506 -11.052
33 HG3 LYS 15 HG1 LYS 15 -8.920 -5.973 -9.355
34 HD2 LYS 15 HD2 LYS 15 -10.935 -4.807 -9.924
35 HD3 LYS 15 HD1 LYS 15 -9.973 -3.764 -8.876
36 HE2 LYS 15 HE2 LYS 15 -10.952 -2.529 -10.760
37 HE3 LYS 15 HE1 LYS 15 -9.189 -2.508 -10.796
38 HZ1 LYS 15 HZ1 LYS 15 -10.301 -2.926 -12.978
39 HZ2 LYS 15 HZ2 LYS 15 -10.817 -4.427 -12.370
40 HZ3 LYS 15 HZ3 LYS 15 -9.161 -4.099 -12.526
41 H GLY 16 HN GLY 16 -5.159 -5.687 -7.361
42 HA2 GLY 16 HA2 GLY 16 -2.848 -5.447 -7.533
43 HA3 GLY 16 HA1 GLY 16 -3.081 -3.911 -8.352
44 H TRP 17 HN TRP 17 -4.979 -3.918 -5.621
45 HA TRP 17 HA TRP 17 -3.002 -2.359 -4.152
46 HB2 TRP 17 HB2 TRP 17 -5.970 -2.705 -3.928
47 HB3 TRP 17 HB1 TRP 17 -5.047 -2.032 -2.587
48 HD1 TRP 17 HD1 TRP 17 -5.738 -1.288 -6.336
49 HE1 TRP 17 HE1 TRP 17 -5.611 1.253 -6.648
50 HE3 TRP 17 HE3 TRP 17 -4.203 0.046 -1.638
51 HZ2 TRP 17 HZ2 TRP 17 -4.903 3.533 -5.133
52 HZ3 TRP 17 HZ3 TRP 17 -3.807 2.428 -1.161
53 HH2 TRP 17 HH2 TRP 17 -4.150 4.132 -2.873
54 H GLU 18 HN GLU 18 -1.918 -3.104 -2.493
55 HA GLU 18 HA GLU 18 -2.749 -5.681 -1.343
56 HB2 GLU 18 HB2 GLU 18 -0.143 -4.807 -2.468
57 HB3 GLU 18 HB1 GLU 18 -0.134 -5.915 -1.110
58 HG2 GLU 18 HG2 GLU 18 -1.420 -6.329 -3.788
59 HG3 GLU 18 HG1 GLU 18 -0.021 -7.155 -3.117
60 H VAL 19 HN VAL 19 -2.205 -6.089 0.759
61 HA VAL 19 HA VAL 19 -1.369 -3.744 2.348
62 HB VAL 19 HB VAL 19 -3.105 -5.971 3.404
63 HG11 VAL 19 HG11 VAL 19 -1.897 -4.684 5.076
64 HG12 VAL 19 HG12 VAL 19 -3.628 -4.355 5.167
65 HG13 VAL 19 HG13 VAL 19 -2.548 -3.185 4.410
66 HG21 VAL 19 HG21 VAL 19 -4.310 -4.913 1.580
67 HG22 VAL 19 HG22 VAL 19 -4.015 -3.326 2.291
68 HG23 VAL 19 HG23 VAL 19 -5.032 -4.496 3.134
69 H ARG 20 HN ARG 20 0.704 -4.106 2.879
70 HA ARG 20 HA ARG 20 1.353 -6.750 3.996
71 HB2 ARG 20 HB2 ARG 20 2.557 -6.067 1.833
72 HB3 ARG 20 HB1 ARG 20 3.375 -4.852 2.814
73 HG2 ARG 20 HG2 ARG 20 4.005 -6.834 4.344
74 HG3 ARG 20 HG1 ARG 20 3.584 -7.832 2.953
75 HD2 ARG 20 HD2 ARG 20 5.590 -5.592 2.947
76 HD3 ARG 20 HD1 ARG 20 5.991 -7.299 3.080
77 HE ARG 20 HE ARG 20 4.638 -7.287 0.788
78 HH11 ARG 20 HH11 ARG 20 7.095 -5.099 1.953
79 HH12 ARG 20 HH12 ARG 20 7.763 -4.784 0.385
80 HH21 ARG 20 HH21 ARG 20 5.506 -6.896 -1.307
81 HH22 ARG 20 HH22 ARG 20 6.840 -5.789 -1.468
82 H HIS 21 HN HIS 21 2.329 -6.821 5.981
83 HA HIS 21 HA HIS 21 2.414 -4.297 7.486
84 HB2 HIS 21 HB2 HIS 21 1.733 -6.973 8.127
85 HB3 HIS 21 HB1 HIS 21 3.221 -6.628 8.990
86 HD1 HIS 21 HD1 HIS 21 1.373 -7.200 10.913
87 HD2 HIS 21 HD2 HIS 21 1.135 -3.373 9.166
88 HE1 HIS 21 HE1 HIS 21 0.084 -5.778 12.529
89 HE2 HIS 21 HE2 HIS 21 0.071 -3.473 11.526
90 H ALA 22 HN ALA 22 4.305 -3.240 7.335
91 HA ALA 22 HA ALA 22 6.767 -4.412 6.575
92 HB1 ALA 22 HB1 ALA 22 7.736 -2.238 7.153
93 HB2 ALA 22 HB2 ALA 22 6.236 -1.781 7.964
94 HB3 ALA 22 HB3 ALA 22 6.251 -2.044 6.219
95 HA PRO 23 HA PRO 23 8.513 -6.131 10.204
96 HB2 PRO 23 HB2 PRO 23 10.926 -4.777 10.477
97 HB3 PRO 23 HB1 PRO 23 10.647 -6.194 9.461
98 HG2 PRO 23 HG2 PRO 23 10.711 -3.307 8.715
99 HG3 PRO 23 HG1 PRO 23 11.304 -4.716 7.816
100 HD2 PRO 23 HD2 PRO 23 9.007 -3.497 7.157
101 HD3 PRO 23 HD1 PRO 23 9.191 -5.260 7.032
102 H ASN 24 HN ASN 24 8.094 -2.700 10.128
103 HA ASN 24 HA ASN 24 8.712 -2.310 12.920
104 HB2 ASN 24 HB2 ASN 24 8.103 -0.004 12.588
105 HB3 ASN 24 HB1 ASN 24 9.090 -0.509 11.223
106 HD21 ASN 24 HD21 ASN 24 7.220 1.689 11.435
107 HD22 ASN 24 HD22 ASN 24 6.037 1.450 10.194
108 H GLY 25 HN GLY 25 6.183 -3.493 11.105
109 HA2 GLY 25 HA2 GLY 25 4.314 -4.537 12.062
110 HA3 GLY 25 HA1 GLY 25 4.480 -3.486 13.449
111 H ARG 26 HN ARG 26 4.581 -2.160 10.250
112 HA ARG 26 HA ARG 26 1.846 -1.121 10.625
113 HB2 ARG 26 HB2 ARG 26 4.295 0.189 9.435
114 HB3 ARG 26 HB1 ARG 26 2.669 0.776 9.110
115 HG2 ARG 26 HG2 ARG 26 3.749 0.460 11.896
116 HG3 ARG 26 HG1 ARG 26 3.914 1.945 10.957
117 HD2 ARG 26 HD2 ARG 26 1.308 0.598 11.659
118 HD3 ARG 26 HD1 ARG 26 1.980 2.011 12.473
119 HE ARG 26 HE ARG 26 1.885 2.883 9.963
120 HH11 ARG 26 HH11 ARG 26 -0.527 1.198 11.874
121 HH12 ARG 26 HH12 ARG 26 -1.872 1.893 11.016
122 HH21 ARG 26 HH21 ARG 26 0.127 3.807 8.853
123 HH22 ARG 26 HH22 ARG 26 -1.495 3.373 9.291
124 HA PRO 27 HA PRO 27 1.115 -2.982 6.603
125 HB2 PRO 27 HB2 PRO 27 -1.490 -2.412 6.407
126 HB3 PRO 27 HB1 PRO 27 -0.930 -3.593 7.594
127 HG2 PRO 27 HG2 PRO 27 -1.598 -0.690 7.995
128 HG3 PRO 27 HG1 PRO 27 -2.101 -2.089 8.967
129 HD2 PRO 27 HD2 PRO 27 0.016 -0.559 9.657
130 HD3 PRO 27 HD1 PRO 27 -0.082 -2.229 10.040
131 H PHE 28 HN PHE 28 1.951 -1.921 4.988
132 HA PHE 28 HA PHE 28 0.940 0.727 4.270
133 HB2 PHE 28 HB2 PHE 28 2.980 0.884 2.837
134 HB3 PHE 28 HB1 PHE 28 3.332 0.734 4.548
135 HD1 PHE 28 HD2 PHE 28 3.495 -1.968 5.215
136 HD2 PHE 28 HD1 PHE 28 4.487 -0.186 1.476
137 HE1 PHE 28 HE2 PHE 28 5.033 -3.817 4.744
138 HE2 PHE 28 HE1 PHE 28 6.014 -2.049 1.003
139 HZ PHE 28 HZ PHE 28 6.294 -3.861 2.636
140 H PHE 29 HN PHE 29 -0.319 0.933 2.575
141 HA PHE 29 HA PHE 29 -1.039 -1.498 1.159
142 HB2 PHE 29 HB2 PHE 29 -2.351 1.234 1.099
143 HB3 PHE 29 HB1 PHE 29 -2.985 -0.248 0.381
144 HD1 PHE 29 HD2 PHE 29 -1.839 1.028 3.709
145 HD2 PHE 29 HD1 PHE 29 -4.563 -1.416 1.541
146 HE1 PHE 29 HE2 PHE 29 -3.007 0.481 5.802
147 HE2 PHE 29 HE1 PHE 29 -5.740 -1.962 3.632
148 HZ PHE 29 HZ PHE 29 -4.957 -1.022 5.763
149 H ILE 30 HN ILE 30 -0.087 -1.945 -0.643
150 HA ILE 30 HA ILE 30 1.274 0.171 -2.117
151 HB ILE 30 HB ILE 30 1.427 -2.791 -2.668
152 HG12 ILE 30 HG12 ILE 30 3.328 -1.157 -1.021
153 HG13 ILE 30 HG11 ILE 30 2.094 -2.186 -0.309
154 HG21 ILE 30 HG21 ILE 30 3.249 -0.475 -3.338
155 HG22 ILE 30 HG22 ILE 30 2.184 -1.320 -4.462
156 HG23 ILE 30 HG23 ILE 30 3.550 -2.167 -3.736
157 HD11 ILE 30 HD11 ILE 30 3.127 -4.132 -1.378
158 HD12 ILE 30 HD12 ILE 30 4.251 -3.292 -0.308
159 HD13 ILE 30 HD13 ILE 30 4.375 -3.086 -2.056
160 H ASP 31 HN ASP 31 0.554 0.931 -3.916
161 HA ASP 31 HA ASP 31 -1.518 -0.484 -5.415
162 HB2 ASP 31 HB2 ASP 31 -2.080 1.774 -5.423
163 HB3 ASP 31 HB1 ASP 31 -0.400 2.295 -5.531
164 H HIS 32 HN HIS 32 -0.800 -2.032 -6.618
165 HA HIS 32 HA HIS 32 1.957 -2.106 -7.469
166 HB2 HIS 32 HB2 HIS 32 -0.315 -4.092 -7.679
167 HB3 HIS 32 HB1 HIS 32 1.304 -4.415 -8.277
168 HD1 HIS 32 HD1 HIS 32 2.120 -6.174 -6.632
169 HD2 HIS 32 HD2 HIS 32 0.458 -2.876 -4.731
170 HE1 HIS 32 HE1 HIS 32 2.565 -6.465 -4.150
171 HE2 HIS 32 HE2 HIS 32 1.362 -4.581 -3.053
172 H ASN 33 HN ASN 33 -0.711 -0.691 -8.728
173 HA ASN 33 HA ASN 33 -0.242 -1.451 -11.501
174 HB2 ASN 33 HB2 ASN 33 -2.162 0.652 -10.501
175 HB3 ASN 33 HB1 ASN 33 -2.175 -0.161 -12.062
176 HD21 ASN 33 HD21 ASN 33 -3.030 -0.319 -8.740
177 HD22 ASN 33 HD22 ASN 33 -3.968 -1.783 -8.836
178 H THR 34 HN THR 34 -0.124 1.492 -9.497
179 HA THR 34 HA THR 34 1.318 2.843 -11.682
180 HB THR 34 HB THR 34 0.295 4.334 -9.304
181 HG1 THR 34 HG1 THR 34 -1.459 2.992 -9.884
182 HG21 THR 34 HG21 THR 34 1.522 5.511 -11.068
183 HG22 THR 34 HG22 THR 34 -0.157 6.048 -11.002
184 HG23 THR 34 HG23 THR 34 0.364 4.933 -12.265
185 H LYS 35 HN LYS 35 2.044 1.102 -9.073
186 HA LYS 35 HA LYS 35 3.910 0.808 -7.815
187 HB2 LYS 35 HB2 LYS 35 4.926 2.842 -9.776
188 HB3 LYS 35 HB1 LYS 35 5.922 2.363 -8.411
189 HG2 LYS 35 HG2 LYS 35 6.595 1.037 -10.242
190 HG3 LYS 35 HG1 LYS 35 5.662 -0.013 -9.181
191 HD2 LYS 35 HD2 LYS 35 4.995 -0.481 -11.419
192 HD3 LYS 35 HD1 LYS 35 3.680 0.411 -10.654
193 HE2 LYS 35 HE2 LYS 35 4.103 1.205 -12.928
194 HE3 LYS 35 HE1 LYS 35 4.416 2.461 -11.732
195 HZ1 LYS 35 HZ1 LYS 35 6.726 2.200 -11.978
196 HZ2 LYS 35 HZ2 LYS 35 6.110 2.222 -13.557
197 HZ3 LYS 35 HZ3 LYS 35 6.569 0.751 -12.845
198 H THR 36 HN THR 36 1.797 2.725 -7.069
199 HA THR 36 HA THR 36 3.331 4.749 -5.583
200 HB THR 36 HB THR 36 1.165 5.888 -5.195
201 HG1 THR 36 HG1 THR 36 0.130 3.847 -6.922
202 HG21 THR 36 HG21 THR 36 2.553 6.537 -7.091
203 HG22 THR 36 HG22 THR 36 0.842 6.684 -7.492
204 HG23 THR 36 HG23 THR 36 1.774 5.313 -8.094
205 H THR 37 HN THR 37 2.918 5.066 -3.307
206 HA THR 37 HA THR 37 1.702 2.728 -2.009
207 HB THR 37 HB THR 37 3.675 3.022 -0.319
208 HG1 THR 37 HG1 THR 37 5.549 3.797 -1.266
209 HG21 THR 37 HG21 THR 37 4.968 1.350 -1.567
210 HG22 THR 37 HG22 THR 37 4.040 1.719 -3.021
211 HG23 THR 37 HG23 THR 37 3.241 0.999 -1.624
212 H THR 38 HN THR 38 0.754 3.062 -0.022
213 HA THR 38 HA THR 38 0.834 5.697 1.190
214 HB THR 38 HB THR 38 -0.964 5.487 -0.738
215 HG1 THR 38 HG1 THR 38 -2.183 6.622 1.454
216 HG21 THR 38 HG21 THR 38 -3.175 4.859 0.121
217 HG22 THR 38 HG22 THR 38 -2.433 4.321 1.629
218 HG23 THR 38 HG23 THR 38 -2.067 3.486 0.119
219 H TRP 39 HN TRP 39 -0.166 5.690 3.381
220 HA TRP 39 HA TRP 39 0.337 3.067 4.581
221 HB2 TRP 39 HB2 TRP 39 -0.115 5.761 5.866
222 HB3 TRP 39 HB1 TRP 39 0.257 4.282 6.736
223 HD1 TRP 39 HD1 TRP 39 1.825 7.133 4.926
224 HE1 TRP 39 HE1 TRP 39 4.403 6.872 4.998
225 HE3 TRP 39 HE3 TRP 39 2.097 2.350 6.679
226 HZ2 TRP 39 HZ2 TRP 39 6.291 4.870 5.727
227 HZ3 TRP 39 HZ3 TRP 39 4.302 1.333 7.049
228 HH2 TRP 39 HH2 TRP 39 6.352 2.562 6.588
229 H GLU 40 HN GLU 40 -2.302 4.997 3.719
230 HA GLU 40 HA GLU 40 -3.914 3.822 5.853
231 HB2 GLU 40 HB2 GLU 40 -5.183 5.899 5.970
232 HB3 GLU 40 HB1 GLU 40 -3.492 6.138 6.325
233 HG2 GLU 40 HG2 GLU 40 -5.132 7.180 4.080
234 HG3 GLU 40 HG1 GLU 40 -3.941 7.982 5.100
235 H ASP 41 HN ASP 41 -5.793 2.970 5.459
236 HA ASP 41 HA ASP 41 -6.187 1.476 3.273
237 HB2 ASP 41 HB2 ASP 41 -8.446 2.659 4.897
238 HB3 ASP 41 HB1 ASP 41 -8.514 1.193 3.931
239 HA PRO 42 HA PRO 42 -7.684 4.043 -0.088
240 HB2 PRO 42 HB2 PRO 42 -8.622 1.965 -1.602
241 HB3 PRO 42 HB1 PRO 42 -6.924 2.450 -1.559
242 HG2 PRO 42 HG2 PRO 42 -8.300 0.233 -0.092
243 HG3 PRO 42 HG1 PRO 42 -6.719 0.231 -0.898
244 HD2 PRO 42 HD2 PRO 42 -6.957 0.469 1.775
245 HD3 PRO 42 HD1 PRO 42 -5.678 1.304 0.867
246 H ARG 43 HN ARG 43 -9.358 2.018 2.038
247 HA ARG 43 HA ARG 43 -12.010 2.329 1.039
248 HB2 ARG 43 HB2 ARG 43 -11.132 1.749 3.876
249 HB3 ARG 43 HB1 ARG 43 -12.706 1.407 3.166
250 HG2 ARG 43 HG2 ARG 43 -11.690 -0.205 1.666
251 HG3 ARG 43 HG1 ARG 43 -10.103 0.147 2.341
252 HD2 ARG 43 HD2 ARG 43 -10.795 -0.671 4.508
253 HD3 ARG 43 HD1 ARG 43 -12.437 -0.930 3.920
254 HE ARG 43 HE ARG 43 -11.701 -2.801 2.723
255 HH11 ARG 43 HH11 ARG 43 -9.048 -1.271 4.450
256 HH12 ARG 43 HH12 ARG 43 -8.022 -2.663 4.341
257 HH21 ARG 43 HH21 ARG 43 -10.345 -4.633 2.620
258 HH22 ARG 43 HH22 ARG 43 -8.742 -4.563 3.303
259 H LEU 44 HN LEU 44 -9.823 4.305 2.701
260 HA LEU 44 HA LEU 44 -11.768 6.006 3.947
261 HB2 LEU 44 HB2 LEU 44 -8.830 6.466 3.471
262 HB3 LEU 44 HB1 LEU 44 -9.860 7.478 4.464
263 HG LEU 44 HG LEU 44 -9.170 4.592 5.028
264 HD11 LEU 44 HD11 LEU 44 -7.274 6.083 5.345
265 HD12 LEU 44 HD12 LEU 44 -7.886 5.510 6.897
266 HD13 LEU 44 HD13 LEU 44 -8.261 7.145 6.350
267 HD21 LEU 44 HD21 LEU 44 -10.736 6.592 6.658
268 HD22 LEU 44 HD22 LEU 44 -10.280 4.968 7.172
269 HD23 LEU 44 HD23 LEU 44 -11.401 5.185 5.828
270 H LYS 45 HN LYS 45 -10.744 5.564 0.907
271 HA LYS 45 HA LYS 45 -11.371 8.315 0.093
272 HB2 LYS 45 HB2 LYS 45 -9.516 6.270 -1.080
273 HB3 LYS 45 HB1 LYS 45 -10.254 7.465 -2.135
274 HG2 LYS 45 HG2 LYS 45 -8.161 8.344 -1.557
275 HG3 LYS 45 HG1 LYS 45 -9.325 9.227 -0.573
276 HD2 LYS 45 HD2 LYS 45 -7.531 8.714 0.869
277 HD3 LYS 45 HD1 LYS 45 -8.803 7.563 1.274
278 HE2 LYS 45 HE2 LYS 45 -7.707 5.820 0.046
279 HE3 LYS 45 HE1 LYS 45 -6.524 6.955 -0.604
280 HZ1 LYS 45 HZ1 LYS 45 -6.807 6.141 2.239
281 HZ2 LYS 45 HZ2 LYS 45 -5.738 7.330 1.684
282 HZ3 LYS 45 HZ3 LYS 45 -5.543 5.723 1.197
283 H GLN 112 H GLN 112 7.734 10.729 5.196
284 HA GLN 112 HA GLN 112 8.252 7.914 5.931
285 HB2 GLN 112 HB2 GLN 112 5.808 7.887 6.410
286 HB3 GLN 112 HB1 GLN 112 6.725 8.946 7.471
287 HG2 GLN 112 HG2 GLN 112 6.020 10.870 6.091
288 HG3 GLN 112 HG1 GLN 112 5.028 9.776 5.129
289 HE21 GLN 112 HE21 GLN 112 5.396 11.383 8.174
290 HE22 GLN 112 HE22 GLN 112 3.810 11.046 8.777
291 H ILE 113 HN ILE 113 8.467 6.731 4.191
292 HA ILE 113 HA ILE 113 6.538 7.094 2.007
293 HB ILE 113 HB ILE 113 8.364 6.439 0.385
294 HG12 ILE 113 HG12 ILE 113 10.185 7.365 2.618
295 HG13 ILE 113 HG11 ILE 113 9.980 5.684 2.136
296 HG21 ILE 113 HG21 ILE 113 8.583 9.113 1.760
297 HG22 ILE 113 HG22 ILE 113 7.460 8.686 0.469
298 HG23 ILE 113 HG23 ILE 113 9.194 8.735 0.149
299 HD11 ILE 113 HD11 ILE 113 10.844 6.223 -0.083
300 HD12 ILE 113 HD12 ILE 113 11.997 6.630 1.189
301 HD13 ILE 113 HD13 ILE 113 11.054 7.902 0.412
302 HA PRO 114 HA PRO 114 6.097 2.723 3.048
303 HB2 PRO 114 HB2 PRO 114 4.152 2.808 0.838
304 HB3 PRO 114 HB1 PRO 114 3.923 2.322 2.519
305 HG2 PRO 114 HG2 PRO 114 2.925 4.623 1.550
306 HG3 PRO 114 HG1 PRO 114 3.491 4.466 3.222
307 HD2 PRO 114 HD2 PRO 114 4.822 5.753 0.880
308 HD3 PRO 114 HD1 PRO 114 4.801 6.244 2.588
309 HA PRO 115 HA PRO 115 8.863 1.200 -0.214
310 HB2 PRO 115 HB2 PRO 115 8.019 -1.340 1.095
311 HB3 PRO 115 HB1 PRO 115 9.634 -0.770 0.689
312 HG2 PRO 115 HG2 PRO 115 8.795 -0.729 3.201
313 HG3 PRO 115 HG1 PRO 115 9.765 0.606 2.554
314 HD2 PRO 115 HD2 PRO 115 6.830 0.476 3.082
315 HD3 PRO 115 HD1 PRO 115 7.961 1.830 3.292
316 HA PRO 116 HA PRO 116 5.782 0.001 -3.306
317 HB2 PRO 116 HB2 PRO 116 7.871 -1.066 -4.875
318 HB3 PRO 116 HB1 PRO 116 7.135 0.536 -5.039
319 HG2 PRO 116 HG2 PRO 116 9.544 -0.295 -3.487
320 HG3 PRO 116 HG1 PRO 116 9.297 1.150 -4.503
321 HD2 PRO 116 HD2 PRO 116 9.031 1.459 -1.991
322 HD3 PRO 116 HD1 PRO 116 7.725 2.028 -3.001
323 H TYR 117 HN TYR 117 5.882 -1.546 -4.646
324 HA TYR 117 HA TYR 117 5.359 -4.082 -3.330
325 HB2 TYR 117 HB2 TYR 117 4.154 -4.728 -5.229
326 HB3 TYR 117 HB1 TYR 117 3.918 -2.987 -5.173
327 HD1 TYR 117 HD1 TYR 117 5.078 -1.532 -6.808
328 HD2 TYR 117 HD2 TYR 117 5.325 -5.772 -7.016
329 HE1 TYR 117 HE1 TYR 117 5.889 -1.370 -9.120
330 HE2 TYR 117 HE2 TYR 117 6.138 -5.628 -9.320
331 HH TYR 117 HH TYR 117 7.224 -2.719 -10.691
332 H VAL 118 HN VAL 118 6.382 -6.007 -3.620
333 HA VAL 118 HA VAL 118 8.850 -5.990 -5.251
334 HB VAL 118 HB VAL 118 8.232 -7.859 -2.950
335 HG11 VAL 118 HG11 VAL 118 9.853 -8.719 -4.544
336 HG12 VAL 118 HG12 VAL 118 10.638 -8.328 -3.013
337 HG13 VAL 118 HG13 VAL 118 10.806 -7.244 -4.395
338 HG21 VAL 118 HG21 VAL 118 9.781 -6.521 -1.596
339 HG22 VAL 118 HG22 VAL 118 8.362 -5.593 -2.082
340 HG23 VAL 118 HG23 VAL 118 9.901 -5.347 -2.907
341 H GLU 119 HN GLU 119 5.747 -7.061 -4.878
342 HA GLU 119 HA GLU 119 6.123 -9.371 -6.650
343 HB2 GLU 119 HB2 GLU 119 4.137 -10.357 -5.570
344 HB3 GLU 119 HB1 GLU 119 5.441 -10.086 -4.433
345 HG2 GLU 119 HG2 GLU 119 3.085 -8.236 -4.744
346 HG3 GLU 119 HG1 GLU 119 3.150 -9.553 -3.580
347 HA PRO 120 HA PRO 120 3.862 -6.795 -9.537
348 HB2 PRO 120 HB2 PRO 120 3.336 -9.463 -10.752
349 HB3 PRO 120 HB1 PRO 120 3.953 -7.985 -11.502
350 HG2 PRO 120 HG2 PRO 120 5.592 -10.006 -10.963
351 HG3 PRO 120 HG1 PRO 120 6.107 -8.329 -10.712
352 HD2 PRO 120 HD2 PRO 120 5.258 -10.371 -8.704
353 HD3 PRO 120 HD1 PRO 120 6.524 -9.131 -8.585
Start of MODEL 9
1 H PHE 12 H PHE 12 -12.372 -6.432 -1.459
2 HA PHE 12 HA PHE 12 -14.167 -4.928 -1.930
3 HB2 PHE 12 HB2 PHE 12 -14.856 -3.280 -0.206
4 HB3 PHE 12 HB1 PHE 12 -15.285 -4.932 0.212
5 HD1 PHE 12 HD2 PHE 12 -14.197 -6.065 2.062
6 HD2 PHE 12 HD1 PHE 12 -13.214 -2.043 1.076
7 HE1 PHE 12 HE2 PHE 12 -13.105 -5.798 4.249
8 HE2 PHE 12 HE1 PHE 12 -12.126 -1.771 3.260
9 HZ PHE 12 HZ PHE 12 -12.067 -3.647 4.853
10 H LEU 13 HN LEU 13 -11.038 -5.130 -1.403
11 HA LEU 13 HA LEU 13 -10.453 -2.271 -1.602
12 HB2 LEU 13 HB2 LEU 13 -8.771 -4.693 -1.113
13 HB3 LEU 13 HB1 LEU 13 -8.028 -3.241 -1.753
14 HG LEU 13 HG LEU 13 -8.990 -2.009 0.242
15 HD11 LEU 13 HD11 LEU 13 -10.664 -3.652 0.893
16 HD12 LEU 13 HD12 LEU 13 -9.532 -3.335 2.208
17 HD13 LEU 13 HD13 LEU 13 -9.390 -4.816 1.262
18 HD21 LEU 13 HD21 LEU 13 -6.641 -2.573 0.057
19 HD22 LEU 13 HD22 LEU 13 -6.954 -4.180 0.708
20 HD23 LEU 13 HD23 LEU 13 -7.187 -2.758 1.723
21 HA PRO 14 HA PRO 14 -10.106 -2.011 -6.005
22 HB2 PRO 14 HB2 PRO 14 -7.753 -0.454 -5.038
23 HB3 PRO 14 HB1 PRO 14 -8.827 -0.111 -6.401
24 HG2 PRO 14 HG2 PRO 14 -9.302 1.081 -4.263
25 HG3 PRO 14 HG1 PRO 14 -10.669 0.215 -4.934
26 HD2 PRO 14 HD2 PRO 14 -8.854 -0.603 -2.661
27 HD3 PRO 14 HD1 PRO 14 -10.628 -0.681 -2.746
28 H LYS 15 HN LYS 15 -8.965 -2.469 -7.606
29 HA LYS 15 HA LYS 15 -7.421 -4.887 -7.344
30 HB2 LYS 15 HB2 LYS 15 -8.977 -4.618 -9.206
31 HB3 LYS 15 HB1 LYS 15 -8.063 -3.237 -9.797
32 HG2 LYS 15 HG2 LYS 15 -6.148 -4.672 -10.239
33 HG3 LYS 15 HG1 LYS 15 -7.034 -6.059 -9.606
34 HD2 LYS 15 HD2 LYS 15 -8.679 -5.842 -11.385
35 HD3 LYS 15 HD1 LYS 15 -7.845 -4.412 -11.999
36 HE2 LYS 15 HE2 LYS 15 -5.888 -5.721 -12.517
37 HE3 LYS 15 HE1 LYS 15 -6.607 -7.151 -11.778
38 HZ1 LYS 15 HZ1 LYS 15 -6.752 -7.163 -14.205
39 HZ2 LYS 15 HZ2 LYS 15 -7.688 -5.750 -14.167
40 HZ3 LYS 15 HZ3 LYS 15 -8.283 -7.183 -13.482
41 H GLY 16 HN GLY 16 -5.292 -5.134 -7.243
42 HA2 GLY 16 HA2 GLY 16 -3.039 -4.694 -7.632
43 HA3 GLY 16 HA1 GLY 16 -3.478 -3.163 -8.380
44 H TRP 17 HN TRP 17 -4.932 -3.830 -5.367
45 HA TRP 17 HA TRP 17 -2.965 -2.122 -4.006
46 HB2 TRP 17 HB2 TRP 17 -5.937 -2.441 -3.599
47 HB3 TRP 17 HB1 TRP 17 -4.907 -1.723 -2.365
48 HD1 TRP 17 HD1 TRP 17 -5.971 -1.099 -6.040
49 HE1 TRP 17 HE1 TRP 17 -5.783 1.426 -6.501
50 HE3 TRP 17 HE3 TRP 17 -3.936 0.391 -1.590
51 HZ2 TRP 17 HZ2 TRP 17 -4.889 3.743 -5.157
52 HZ3 TRP 17 HZ3 TRP 17 -3.440 2.780 -1.263
53 HH2 TRP 17 HH2 TRP 17 -3.909 4.418 -3.010
54 H GLU 18 HN GLU 18 -1.715 -3.128 -2.616
55 HA GLU 18 HA GLU 18 -2.648 -5.679 -1.477
56 HB2 GLU 18 HB2 GLU 18 -0.848 -5.597 -3.293
57 HB3 GLU 18 HB1 GLU 18 0.260 -5.162 -2.063
58 HG2 GLU 18 HG2 GLU 18 -1.394 -7.669 -2.129
59 HG3 GLU 18 HG1 GLU 18 0.274 -7.517 -2.690
60 H VAL 19 HN VAL 19 -2.459 -5.931 0.481
61 HA VAL 19 HA VAL 19 -1.456 -3.710 2.153
62 HB VAL 19 HB VAL 19 -3.421 -5.808 3.055
63 HG11 VAL 19 HG11 VAL 19 -3.924 -4.224 4.831
64 HG12 VAL 19 HG12 VAL 19 -2.760 -3.082 4.161
65 HG13 VAL 19 HG13 VAL 19 -2.203 -4.620 4.823
66 HG21 VAL 19 HG21 VAL 19 -4.410 -4.635 1.178
67 HG22 VAL 19 HG22 VAL 19 -4.029 -3.085 1.929
68 HG23 VAL 19 HG23 VAL 19 -5.196 -4.170 2.687
69 H ARG 20 HN ARG 20 0.471 -4.158 2.966
70 HA ARG 20 HA ARG 20 0.852 -6.835 4.116
71 HB2 ARG 20 HB2 ARG 20 1.991 -6.253 1.807
72 HB3 ARG 20 HB1 ARG 20 3.129 -5.394 2.850
73 HG2 ARG 20 HG2 ARG 20 3.560 -7.440 4.110
74 HG3 ARG 20 HG1 ARG 20 2.431 -8.313 3.066
75 HD2 ARG 20 HD2 ARG 20 5.014 -7.010 2.310
76 HD3 ARG 20 HD1 ARG 20 4.628 -8.732 2.254
77 HE ARG 20 HE ARG 20 2.755 -7.622 0.636
78 HH11 ARG 20 HH11 ARG 20 6.274 -7.565 0.643
79 HH12 ARG 20 HH12 ARG 20 6.368 -7.167 -1.041
80 HH21 ARG 20 HH21 ARG 20 2.882 -7.102 -1.500
81 HH22 ARG 20 HH22 ARG 20 4.426 -6.927 -2.290
82 H HIS 21 HN HIS 21 2.145 -6.922 5.945
83 HA HIS 21 HA HIS 21 2.470 -4.348 7.331
84 HB2 HIS 21 HB2 HIS 21 1.922 -7.091 8.168
85 HB3 HIS 21 HB1 HIS 21 3.248 -6.383 9.069
86 HD1 HIS 21 HD1 HIS 21 1.008 -7.121 10.706
87 HD2 HIS 21 HD2 HIS 21 1.011 -3.356 8.803
88 HE1 HIS 21 HE1 HIS 21 -0.473 -5.632 12.081
89 HE2 HIS 21 HE2 HIS 21 -0.326 -3.376 11.014
90 H ALA 22 HN ALA 22 4.386 -3.435 7.091
91 HA ALA 22 HA ALA 22 6.723 -4.868 6.253
92 HB1 ALA 22 HB1 ALA 22 7.831 -2.685 6.457
93 HB2 ALA 22 HB2 ALA 22 6.398 -2.035 7.253
94 HB3 ALA 22 HB3 ALA 22 6.312 -2.555 5.571
95 HA PRO 23 HA PRO 23 8.731 -5.850 10.125
96 HB2 PRO 23 HB2 PRO 23 11.139 -4.490 9.900
97 HB3 PRO 23 HB1 PRO 23 10.809 -6.100 9.256
98 HG2 PRO 23 HG2 PRO 23 10.775 -3.456 7.874
99 HG3 PRO 23 HG1 PRO 23 11.341 -5.028 7.280
100 HD2 PRO 23 HD2 PRO 23 8.989 -4.012 6.508
101 HD3 PRO 23 HD1 PRO 23 9.195 -5.754 6.787
102 H ASN 24 HN ASN 24 8.026 -2.653 9.268
103 HA ASN 24 HA ASN 24 8.865 -1.394 11.721
104 HB2 ASN 24 HB2 ASN 24 8.789 -0.125 9.594
105 HB3 ASN 24 HB1 ASN 24 7.057 -0.413 9.488
106 HD21 ASN 24 HD21 ASN 24 6.501 1.713 9.490
107 HD22 ASN 24 HD22 ASN 24 6.645 2.739 10.874
108 H GLY 25 HN GLY 25 6.380 -3.388 10.689
109 HA2 GLY 25 HA2 GLY 25 4.693 -4.268 12.047
110 HA3 GLY 25 HA1 GLY 25 4.911 -2.913 13.134
111 H ARG 26 HN ARG 26 4.749 -1.877 9.993
112 HA ARG 26 HA ARG 26 1.942 -1.072 10.337
113 HB2 ARG 26 HB2 ARG 26 4.330 0.282 9.117
114 HB3 ARG 26 HB1 ARG 26 2.713 0.723 8.592
115 HG2 ARG 26 HG2 ARG 26 3.692 0.851 11.438
116 HG3 ARG 26 HG1 ARG 26 3.607 2.219 10.326
117 HD2 ARG 26 HD2 ARG 26 1.322 0.579 11.405
118 HD3 ARG 26 HD1 ARG 26 1.658 2.283 11.707
119 HE ARG 26 HE ARG 26 1.214 1.598 8.932
120 HH11 ARG 26 HH11 ARG 26 -0.186 2.760 11.917
121 HH12 ARG 26 HH12 ARG 26 -1.627 3.370 11.151
122 HH21 ARG 26 HH21 ARG 26 -0.694 2.401 7.915
123 HH22 ARG 26 HH22 ARG 26 -1.903 3.172 8.889
124 HA PRO 27 HA PRO 27 1.216 -3.014 6.342
125 HB2 PRO 27 HB2 PRO 27 -1.366 -2.374 6.074
126 HB3 PRO 27 HB1 PRO 27 -0.865 -3.544 7.301
127 HG2 PRO 27 HG2 PRO 27 -1.487 -0.623 7.617
128 HG3 PRO 27 HG1 PRO 27 -2.013 -1.988 8.623
129 HD2 PRO 27 HD2 PRO 27 0.123 -0.451 9.258
130 HD3 PRO 27 HD1 PRO 27 -0.016 -2.085 9.749
131 H PHE 28 HN PHE 28 2.086 -2.045 4.700
132 HA PHE 28 HA PHE 28 1.242 0.642 3.940
133 HB2 PHE 28 HB2 PHE 28 3.221 0.587 2.413
134 HB3 PHE 28 HB1 PHE 28 3.636 0.461 4.108
135 HD1 PHE 28 HD1 PHE 28 3.517 -2.270 4.811
136 HD2 PHE 28 HD2 PHE 28 4.702 -0.590 1.079
137 HE1 PHE 28 HE1 PHE 28 4.882 -4.259 4.348
138 HE2 PHE 28 HE2 PHE 28 6.047 -2.588 0.613
139 HZ PHE 28 HZ PHE 28 6.145 -4.424 2.244
140 H PHE 29 HN PHE 29 -0.141 0.885 2.384
141 HA PHE 29 HA PHE 29 -1.067 -1.465 0.944
142 HB2 PHE 29 HB2 PHE 29 -2.197 1.347 1.013
143 HB3 PHE 29 HB1 PHE 29 -2.952 -0.053 0.258
144 HD1 PHE 29 HD1 PHE 29 -1.616 0.974 3.598
145 HD2 PHE 29 HD2 PHE 29 -4.611 -1.109 1.409
146 HE1 PHE 29 HE1 PHE 29 -2.792 0.467 5.697
147 HE2 PHE 29 HE2 PHE 29 -5.788 -1.625 3.505
148 HZ PHE 29 HZ PHE 29 -4.877 -0.842 5.647
149 H ILE 30 HN ILE 30 -0.214 -1.903 -0.917
150 HA ILE 30 HA ILE 30 1.316 0.173 -2.271
151 HB ILE 30 HB ILE 30 1.282 -2.750 -3.000
152 HG12 ILE 30 HG12 ILE 30 2.971 -1.374 -0.934
153 HG13 ILE 30 HG11 ILE 30 1.734 -2.567 -0.602
154 HG21 ILE 30 HG21 ILE 30 3.550 -2.233 -3.806
155 HG22 ILE 30 HG22 ILE 30 3.347 -0.558 -3.292
156 HG23 ILE 30 HG23 ILE 30 2.339 -1.213 -4.584
157 HD11 ILE 30 HD11 ILE 30 4.296 -3.035 -2.108
158 HD12 ILE 30 HD12 ILE 30 3.037 -4.236 -1.827
159 HD13 ILE 30 HD13 ILE 30 3.931 -3.561 -0.464
160 H ASP 31 HN ASP 31 0.852 0.968 -4.157
161 HA ASP 31 HA ASP 31 -1.428 -0.024 -5.696
162 HB2 ASP 31 HB2 ASP 31 -1.564 2.298 -5.668
163 HB3 ASP 31 HB1 ASP 31 0.187 2.502 -5.731
164 H HIS 32 HN HIS 32 -1.096 -1.491 -7.141
165 HA HIS 32 HA HIS 32 1.637 -2.008 -8.067
166 HB2 HIS 32 HB2 HIS 32 -0.818 -3.792 -8.063
167 HB3 HIS 32 HB1 HIS 32 0.790 -4.280 -8.577
168 HD1 HIS 32 HD1 HIS 32 -0.676 -2.694 -5.442
169 HD2 HIS 32 HD2 HIS 32 2.021 -5.638 -6.506
170 HE1 HIS 32 HE1 HIS 32 0.289 -3.584 -3.308
171 HE2 HIS 32 HE2 HIS 32 1.677 -5.555 -4.007
172 H ASN 33 HN ASN 33 -0.996 -0.383 -9.088
173 HA ASN 33 HA ASN 33 -1.094 -1.274 -11.826
174 HB2 ASN 33 HB2 ASN 33 -2.104 1.357 -10.723
175 HB3 ASN 33 HB1 ASN 33 -2.583 0.582 -12.227
176 HD21 ASN 33 HD21 ASN 33 -2.945 0.684 -8.807
177 HD22 ASN 33 HD22 ASN 33 -4.296 -0.408 -8.710
178 H THR 34 HN THR 34 0.447 1.226 -9.948
179 HA THR 34 HA THR 34 2.129 1.846 -12.273
180 HB THR 34 HB THR 34 1.262 3.786 -10.114
181 HG1 THR 34 HG1 THR 34 0.479 3.467 -12.837
182 HG21 THR 34 HG21 THR 34 2.872 4.217 -12.630
183 HG22 THR 34 HG22 THR 34 3.493 4.273 -10.980
184 HG23 THR 34 HG23 THR 34 2.329 5.480 -11.525
185 H LYS 35 HN LYS 35 2.299 2.789 -8.846
186 HA LYS 35 HA LYS 35 4.150 1.051 -7.839
187 HB2 LYS 35 HB2 LYS 35 6.275 2.459 -7.990
188 HB3 LYS 35 HB1 LYS 35 5.823 1.543 -9.414
189 HG2 LYS 35 HG2 LYS 35 6.530 3.613 -10.230
190 HG3 LYS 35 HG1 LYS 35 4.772 3.705 -10.273
191 HD2 LYS 35 HD2 LYS 35 5.674 5.783 -9.441
192 HD3 LYS 35 HD1 LYS 35 4.821 4.952 -8.139
193 HE2 LYS 35 HE2 LYS 35 6.921 5.897 -7.344
194 HE3 LYS 35 HE1 LYS 35 6.945 4.137 -7.257
195 HZ1 LYS 35 HZ1 LYS 35 9.023 5.043 -8.111
196 HZ2 LYS 35 HZ2 LYS 35 8.200 5.765 -9.406
197 HZ3 LYS 35 HZ3 LYS 35 8.258 4.073 -9.274
198 H THR 36 HN THR 36 1.979 2.691 -7.029
199 HA THR 36 HA THR 36 3.166 4.953 -5.576
200 HB THR 36 HB THR 36 0.247 4.374 -5.487
201 HG1 THR 36 HG1 THR 36 0.550 4.204 -7.680
202 HG21 THR 36 HG21 THR 36 0.104 6.823 -5.523
203 HG22 THR 36 HG22 THR 36 1.856 6.917 -5.700
204 HG23 THR 36 HG23 THR 36 1.155 6.256 -4.224
205 H THR 37 HN THR 37 2.787 5.222 -3.300
206 HA THR 37 HA THR 37 1.910 2.812 -1.915
207 HB THR 37 HB THR 37 3.944 3.155 -0.347
208 HG1 THR 37 HG1 THR 37 5.787 3.930 -1.538
209 HG21 THR 37 HG21 THR 37 5.273 1.599 -1.687
210 HG22 THR 37 HG22 THR 37 4.300 1.982 -3.108
211 HG23 THR 37 HG23 THR 37 3.564 1.165 -1.728
212 H THR 38 HN THR 38 0.956 3.114 0.008
213 HA THR 38 HA THR 38 1.082 5.679 1.361
214 HB THR 38 HB THR 38 -0.709 6.049 -0.259
215 HG1 THR 38 HG1 THR 38 -2.504 6.053 1.542
216 HG21 THR 38 HG21 THR 38 -1.353 3.733 -0.675
217 HG22 THR 38 HG22 THR 38 -2.755 4.698 -0.216
218 HG23 THR 38 HG23 THR 38 -2.011 3.610 0.957
219 H TRP 39 HN TRP 39 0.322 5.545 3.570
220 HA TRP 39 HA TRP 39 0.360 2.796 4.573
221 HB2 TRP 39 HB2 TRP 39 0.247 5.357 6.167
222 HB3 TRP 39 HB1 TRP 39 0.614 3.749 6.775
223 HD1 TRP 39 HD1 TRP 39 2.161 6.765 5.208
224 HE1 TRP 39 HE1 TRP 39 4.721 6.432 5.055
225 HE3 TRP 39 HE3 TRP 39 2.391 1.797 6.360
226 HZ2 TRP 39 HZ2 TRP 39 6.580 4.319 5.407
227 HZ3 TRP 39 HZ3 TRP 39 4.584 0.695 6.441
228 HH2 TRP 39 HH2 TRP 39 6.633 1.928 5.971
229 H GLU 40 HN GLU 40 -1.945 4.987 3.616
230 HA GLU 40 HA GLU 40 -3.750 4.305 5.802
231 HB2 GLU 40 HB2 GLU 40 -5.061 6.295 5.074
232 HB3 GLU 40 HB1 GLU 40 -3.424 6.639 5.628
233 HG2 GLU 40 HG2 GLU 40 -3.840 8.015 3.781
234 HG3 GLU 40 HG1 GLU 40 -2.720 6.771 3.251
235 H ASP 41 HN ASP 41 -6.066 4.134 5.242
236 HA ASP 41 HA ASP 41 -6.199 1.914 3.382
237 HB2 ASP 41 HB2 ASP 41 -8.081 2.958 5.495
238 HB3 ASP 41 HB1 ASP 41 -8.509 1.646 4.410
239 HA PRO 42 HA PRO 42 -8.258 4.336 0.227
240 HB2 PRO 42 HB2 PRO 42 -8.982 2.194 -1.317
241 HB3 PRO 42 HB1 PRO 42 -7.379 2.935 -1.351
242 HG2 PRO 42 HG2 PRO 42 -8.302 0.470 0.063
243 HG3 PRO 42 HG1 PRO 42 -6.780 0.766 -0.794
244 HD2 PRO 42 HD2 PRO 42 -6.968 0.837 1.903
245 HD3 PRO 42 HD1 PRO 42 -5.839 1.868 1.002
246 H ARG 43 HN ARG 43 -9.580 2.042 2.350
247 HA ARG 43 HA ARG 43 -12.296 2.169 1.405
248 HB2 ARG 43 HB2 ARG 43 -12.826 1.030 3.563
249 HB3 ARG 43 HB1 ARG 43 -11.615 0.190 2.603
250 HG2 ARG 43 HG2 ARG 43 -9.850 1.122 3.993
251 HG3 ARG 43 HG1 ARG 43 -11.053 1.995 4.942
252 HD2 ARG 43 HD2 ARG 43 -11.995 -0.064 5.741
253 HD3 ARG 43 HD1 ARG 43 -10.954 -1.005 4.669
254 HE ARG 43 HE ARG 43 -9.060 -0.308 5.993
255 HH11 ARG 43 HH11 ARG 43 -12.225 0.288 7.403
256 HH12 ARG 43 HH12 ARG 43 -11.596 0.486 9.012
257 HH21 ARG 43 HH21 ARG 43 -8.251 -0.049 8.107
258 HH22 ARG 43 HH22 ARG 43 -9.347 0.295 9.413
259 H LEU 44 HN LEU 44 -10.269 4.176 3.267
260 HA LEU 44 HA LEU 44 -12.368 5.428 4.778
261 HB2 LEU 44 HB2 LEU 44 -9.527 6.321 4.324
262 HB3 LEU 44 HB1 LEU 44 -10.639 7.020 5.485
263 HG LEU 44 HG LEU 44 -9.612 4.184 5.566
264 HD11 LEU 44 HD11 LEU 44 -8.333 4.930 7.515
265 HD12 LEU 44 HD12 LEU 44 -8.885 6.583 7.239
266 HD13 LEU 44 HD13 LEU 44 -7.853 5.789 6.050
267 HD21 LEU 44 HD21 LEU 44 -11.844 4.412 6.523
268 HD22 LEU 44 HD22 LEU 44 -11.277 5.735 7.542
269 HD23 LEU 44 HD23 LEU 44 -10.639 4.107 7.776
270 H LYS 45 HN LYS 45 -11.363 5.514 1.706
271 HA LYS 45 HA LYS 45 -11.755 8.263 1.023
272 HB2 LYS 45 HB2 LYS 45 -10.314 6.887 -0.349
273 HB3 LYS 45 HB1 LYS 45 -11.609 5.734 -0.629
274 HG2 LYS 45 HG2 LYS 45 -12.815 7.831 -1.656
275 HG3 LYS 45 HG1 LYS 45 -11.156 8.410 -1.836
276 HD2 LYS 45 HD2 LYS 45 -11.560 7.312 -3.851
277 HD3 LYS 45 HD1 LYS 45 -10.696 6.104 -2.901
278 HE2 LYS 45 HE2 LYS 45 -13.689 6.263 -3.288
279 HE3 LYS 45 HE1 LYS 45 -12.605 5.123 -4.078
280 HZ1 LYS 45 HZ1 LYS 45 -13.299 5.267 -1.197
281 HZ2 LYS 45 HZ2 LYS 45 -12.024 4.320 -1.794
282 HZ3 LYS 45 HZ3 LYS 45 -13.614 3.997 -2.279
283 H GLN 112 H GLN 112 6.102 9.554 5.814
284 HA GLN 112 HA GLN 112 8.570 7.917 5.920
285 HB2 GLN 112 HB2 GLN 112 5.790 7.446 6.995
286 HB3 GLN 112 HB1 GLN 112 6.890 6.121 6.655
287 HG2 GLN 112 HG2 GLN 112 6.981 6.613 8.989
288 HG3 GLN 112 HG1 GLN 112 8.503 7.105 8.251
289 HE21 GLN 112 HE21 GLN 112 8.958 8.508 9.945
290 HE22 GLN 112 HE22 GLN 112 8.118 10.016 10.139
291 H ILE 113 HN ILE 113 8.950 6.934 4.042
292 HA ILE 113 HA ILE 113 6.840 6.928 2.007
293 HB ILE 113 HB ILE 113 9.829 6.574 1.755
294 HG12 ILE 113 HG12 ILE 113 9.474 8.590 0.200
295 HG13 ILE 113 HG11 ILE 113 7.887 8.731 0.946
296 HG21 ILE 113 HG21 ILE 113 7.743 6.404 -0.416
297 HG22 ILE 113 HG22 ILE 113 8.738 5.075 0.183
298 HG23 ILE 113 HG23 ILE 113 9.490 6.426 -0.666
299 HD11 ILE 113 HD11 ILE 113 10.517 8.868 2.397
300 HD12 ILE 113 HD12 ILE 113 8.918 9.059 3.116
301 HD13 ILE 113 HD13 ILE 113 9.508 10.241 1.948
302 HA PRO 114 HA PRO 114 6.461 2.494 2.859
303 HB2 PRO 114 HB2 PRO 114 4.437 2.587 0.750
304 HB3 PRO 114 HB1 PRO 114 4.269 2.131 2.446
305 HG2 PRO 114 HG2 PRO 114 3.244 4.417 1.427
306 HG3 PRO 114 HG1 PRO 114 3.785 4.267 3.107
307 HD2 PRO 114 HD2 PRO 114 5.136 5.565 0.784
308 HD3 PRO 114 HD1 PRO 114 5.097 6.043 2.495
309 HA PRO 115 HA PRO 115 8.979 1.039 -0.651
310 HB2 PRO 115 HB2 PRO 115 8.263 -1.537 0.643
311 HB3 PRO 115 HB1 PRO 115 9.838 -0.924 0.162
312 HG2 PRO 115 HG2 PRO 115 9.150 -0.993 2.719
313 HG3 PRO 115 HG1 PRO 115 10.068 0.377 2.066
314 HD2 PRO 115 HD2 PRO 115 7.161 0.197 2.744
315 HD3 PRO 115 HD1 PRO 115 8.300 1.541 2.970
316 HA PRO 116 HA PRO 116 5.770 -0.336 -3.577
317 HB2 PRO 116 HB2 PRO 116 7.857 -1.412 -5.159
318 HB3 PRO 116 HB1 PRO 116 7.052 0.151 -5.383
319 HG2 PRO 116 HG2 PRO 116 9.536 -0.509 -3.862
320 HG3 PRO 116 HG1 PRO 116 9.204 0.871 -4.942
321 HD2 PRO 116 HD2 PRO 116 8.995 1.302 -2.451
322 HD3 PRO 116 HD1 PRO 116 7.634 1.756 -3.443
323 H TYR 117 HN TYR 117 5.901 -1.969 -4.858
324 HA TYR 117 HA TYR 117 5.582 -4.442 -3.337
325 HB2 TYR 117 HB2 TYR 117 4.312 -5.300 -5.217
326 HB3 TYR 117 HB1 TYR 117 3.741 -3.699 -4.779
327 HD1 TYR 117 HD1 TYR 117 4.201 -1.771 -6.272
328 HD2 TYR 117 HD2 TYR 117 5.258 -5.748 -7.357
329 HE1 TYR 117 HE1 TYR 117 4.387 -1.082 -8.616
330 HE2 TYR 117 HE2 TYR 117 5.458 -5.059 -9.705
331 HH TYR 117 HH TYR 117 4.578 -3.275 -11.175
332 H VAL 118 HN VAL 118 6.254 -6.520 -4.170
333 HA VAL 118 HA VAL 118 8.742 -6.391 -5.742
334 HB VAL 118 HB VAL 118 9.197 -6.538 -3.274
335 HG11 VAL 118 HG11 VAL 118 8.803 -8.680 -2.142
336 HG12 VAL 118 HG12 VAL 118 7.892 -9.241 -3.543
337 HG13 VAL 118 HG13 VAL 118 7.301 -7.875 -2.596
338 HG21 VAL 118 HG21 VAL 118 10.083 -8.885 -4.949
339 HG22 VAL 118 HG22 VAL 118 10.843 -8.360 -3.447
340 HG23 VAL 118 HG23 VAL 118 10.859 -7.304 -4.859
341 H GLU 119 HN GLU 119 5.697 -7.538 -5.491
342 HA GLU 119 HA GLU 119 6.078 -10.267 -6.283
343 HB2 GLU 119 HB2 GLU 119 3.528 -8.717 -6.674
344 HB3 GLU 119 HB1 GLU 119 3.728 -10.438 -6.393
345 HG2 GLU 119 HG2 GLU 119 2.918 -9.743 -4.373
346 HG3 GLU 119 HG1 GLU 119 4.653 -9.660 -4.075
347 HA PRO 120 HA PRO 120 6.762 -9.189 -10.623
348 HB2 PRO 120 HB2 PRO 120 6.795 -12.120 -10.910
349 HB3 PRO 120 HB1 PRO 120 8.037 -10.938 -11.332
350 HG2 PRO 120 HG2 PRO 120 8.324 -12.601 -9.244
351 HG3 PRO 120 HG1 PRO 120 8.948 -10.941 -9.213
352 HD2 PRO 120 HD2 PRO 120 6.467 -12.058 -7.959
353 HD3 PRO 120 HD1 PRO 120 7.630 -10.882 -7.308
Start of MODEL 10
1 H PHE 12 H PHE 12 -10.413 -6.337 0.666
2 HA PHE 12 HA PHE 12 -12.573 -6.510 -1.345
3 HB2 PHE 12 HB2 PHE 12 -13.814 -5.009 0.213
4 HB3 PHE 12 HB1 PHE 12 -13.529 -6.615 0.863
5 HD1 PHE 12 HD1 PHE 12 -12.533 -3.072 1.075
6 HD2 PHE 12 HD2 PHE 12 -12.245 -6.938 2.830
7 HE1 PHE 12 HE1 PHE 12 -11.568 -2.073 3.105
8 HE2 PHE 12 HE2 PHE 12 -11.279 -5.945 4.864
9 HZ PHE 12 HZ PHE 12 -10.940 -3.511 5.003
10 H LEU 13 HN LEU 13 -9.675 -5.419 -1.301
11 HA LEU 13 HA LEU 13 -10.227 -2.571 -1.676
12 HB2 LEU 13 HB2 LEU 13 -7.710 -4.179 -1.382
13 HB3 LEU 13 HB1 LEU 13 -7.662 -2.553 -2.031
14 HG LEU 13 HG LEU 13 -8.845 -1.829 0.112
15 HD11 LEU 13 HD11 LEU 13 -7.901 -4.552 0.992
16 HD12 LEU 13 HD12 LEU 13 -9.576 -4.012 0.880
17 HD13 LEU 13 HD13 LEU 13 -8.489 -3.276 2.058
18 HD21 LEU 13 HD21 LEU 13 -6.728 -1.741 1.342
19 HD22 LEU 13 HD22 LEU 13 -6.528 -1.326 -0.361
20 HD23 LEU 13 HD23 LEU 13 -6.041 -2.916 0.223
21 HA PRO 14 HA PRO 14 -9.931 -2.300 -6.140
22 HB2 PRO 14 HB2 PRO 14 -7.700 -0.495 -5.319
23 HB3 PRO 14 HB1 PRO 14 -8.841 -0.305 -6.655
24 HG2 PRO 14 HG2 PRO 14 -9.324 0.924 -4.539
25 HG3 PRO 14 HG1 PRO 14 -10.640 -0.058 -5.148
26 HD2 PRO 14 HD2 PRO 14 -8.733 -0.651 -2.884
27 HD3 PRO 14 HD1 PRO 14 -10.496 -0.898 -2.946
28 H LYS 15 HN LYS 15 -8.770 -2.685 -7.785
29 HA LYS 15 HA LYS 15 -7.217 -5.070 -7.559
30 HB2 LYS 15 HB2 LYS 15 -8.690 -4.656 -9.473
31 HB3 LYS 15 HB1 LYS 15 -7.686 -3.299 -9.965
32 HG2 LYS 15 HG2 LYS 15 -7.119 -5.121 -11.365
33 HG3 LYS 15 HG1 LYS 15 -5.785 -4.922 -10.227
34 HD2 LYS 15 HD2 LYS 15 -6.209 -7.252 -10.360
35 HD3 LYS 15 HD1 LYS 15 -6.888 -6.715 -8.822
36 HE2 LYS 15 HE2 LYS 15 -8.446 -8.206 -9.886
37 HE3 LYS 15 HE1 LYS 15 -9.112 -6.573 -9.904
38 HZ1 LYS 15 HZ1 LYS 15 -7.761 -7.932 -12.177
39 HZ2 LYS 15 HZ2 LYS 15 -8.365 -6.348 -12.209
40 HZ3 LYS 15 HZ3 LYS 15 -9.428 -7.658 -12.033
41 H GLY 16 HN GLY 16 -5.121 -5.277 -7.187
42 HA2 GLY 16 HA2 GLY 16 -2.841 -4.942 -7.555
43 HA3 GLY 16 HA1 GLY 16 -3.198 -3.428 -8.368
44 H TRP 17 HN TRP 17 -4.977 -3.292 -5.633
45 HA TRP 17 HA TRP 17 -2.926 -1.780 -4.235
46 HB2 TRP 17 HB2 TRP 17 -5.895 -2.081 -3.834
47 HB3 TRP 17 HB1 TRP 17 -4.869 -1.323 -2.623
48 HD1 TRP 17 HD1 TRP 17 -5.863 -0.831 -6.340
49 HE1 TRP 17 HE1 TRP 17 -5.784 1.685 -6.829
50 HE3 TRP 17 HE3 TRP 17 -3.914 0.807 -1.888
51 HZ2 TRP 17 HZ2 TRP 17 -4.949 4.053 -5.531
52 HZ3 TRP 17 HZ3 TRP 17 -3.494 3.212 -1.612
53 HH2 TRP 17 HH2 TRP 17 -3.997 4.801 -3.395
54 H GLU 18 HN GLU 18 -1.678 -2.716 -2.848
55 HA GLU 18 HA GLU 18 -2.606 -5.177 -1.550
56 HB2 GLU 18 HB2 GLU 18 -0.029 -4.291 -2.625
57 HB3 GLU 18 HB1 GLU 18 0.058 -5.152 -1.108
58 HG2 GLU 18 HG2 GLU 18 -1.373 -6.179 -3.537
59 HG3 GLU 18 HG1 GLU 18 0.292 -6.562 -3.121
60 H VAL 19 HN VAL 19 -2.239 -5.526 0.542
61 HA VAL 19 HA VAL 19 -1.546 -3.191 2.208
62 HB VAL 19 HB VAL 19 -3.470 -5.315 3.131
63 HG11 VAL 19 HG11 VAL 19 -4.145 -3.617 4.739
64 HG12 VAL 19 HG12 VAL 19 -2.979 -2.493 4.043
65 HG13 VAL 19 HG13 VAL 19 -2.418 -3.959 4.847
66 HG21 VAL 19 HG21 VAL 19 -4.476 -4.367 1.151
67 HG22 VAL 19 HG22 VAL 19 -4.193 -2.739 1.761
68 HG23 VAL 19 HG23 VAL 19 -5.323 -3.808 2.594
69 H ARG 20 HN ARG 20 0.573 -3.863 2.529
70 HA ARG 20 HA ARG 20 0.862 -6.528 3.719
71 HB2 ARG 20 HB2 ARG 20 2.170 -5.922 1.592
72 HB3 ARG 20 HB1 ARG 20 3.135 -4.882 2.644
73 HG2 ARG 20 HG2 ARG 20 3.868 -6.720 3.947
74 HG3 ARG 20 HG1 ARG 20 2.712 -7.807 3.178
75 HD2 ARG 20 HD2 ARG 20 5.113 -6.513 1.939
76 HD3 ARG 20 HD1 ARG 20 4.888 -8.225 2.268
77 HE ARG 20 HE ARG 20 4.086 -6.863 -0.062
78 HH11 ARG 20 HH11 ARG 20 2.911 -9.323 2.161
79 HH12 ARG 20 HH12 ARG 20 1.835 -10.026 0.991
80 HH21 ARG 20 HH21 ARG 20 2.698 -7.841 -1.609
81 HH22 ARG 20 HH22 ARG 20 1.715 -9.191 -1.126
82 H HIS 21 HN HIS 21 2.207 -6.779 5.536
83 HA HIS 21 HA HIS 21 2.092 -4.401 7.278
84 HB2 HIS 21 HB2 HIS 21 1.007 -6.927 7.625
85 HB3 HIS 21 HB1 HIS 21 2.497 -7.018 8.546
86 HD1 HIS 21 HD1 HIS 21 0.909 -7.384 10.586
87 HD2 HIS 21 HD2 HIS 21 0.703 -3.520 8.933
88 HE1 HIS 21 HE1 HIS 21 -0.321 -5.979 12.258
89 HE2 HIS 21 HE2 HIS 21 -0.640 -3.753 11.135
90 H ALA 22 HN ALA 22 4.033 -3.480 7.370
91 HA ALA 22 HA ALA 22 6.483 -4.701 6.729
92 HB1 ALA 22 HB1 ALA 22 5.977 -2.214 8.367
93 HB2 ALA 22 HB2 ALA 22 6.089 -2.284 6.608
94 HB3 ALA 22 HB3 ALA 22 7.501 -2.659 7.598
95 HA PRO 23 HA PRO 23 7.879 -6.838 10.299
96 HB2 PRO 23 HB2 PRO 23 10.331 -5.704 10.865
97 HB3 PRO 23 HB1 PRO 23 10.046 -6.936 9.634
98 HG2 PRO 23 HG2 PRO 23 10.272 -3.971 9.333
99 HG3 PRO 23 HG1 PRO 23 10.917 -5.257 8.294
100 HD2 PRO 23 HD2 PRO 23 8.715 -3.893 7.616
101 HD3 PRO 23 HD1 PRO 23 8.864 -5.629 7.273
102 H ASN 24 HN ASN 24 7.678 -3.396 10.512
103 HA ASN 24 HA ASN 24 7.983 -3.300 13.380
104 HB2 ASN 24 HB2 ASN 24 7.198 -0.901 13.078
105 HB3 ASN 24 HB1 ASN 24 8.712 -1.324 12.290
106 HD21 ASN 24 HD21 ASN 24 8.539 0.358 10.855
107 HD22 ASN 24 HD22 ASN 24 7.425 0.348 9.528
108 H GLY 25 HN GLY 25 5.655 -4.214 11.217
109 HA2 GLY 25 HA2 GLY 25 3.596 -5.142 11.761
110 HA3 GLY 25 HA1 GLY 25 3.681 -4.339 13.312
111 H ARG 26 HN ARG 26 4.018 -2.903 10.108
112 HA ARG 26 HA ARG 26 1.452 -1.520 10.528
113 HB2 ARG 26 HB2 ARG 26 4.017 -0.304 9.460
114 HB3 ARG 26 HB1 ARG 26 2.445 0.489 9.435
115 HG2 ARG 26 HG2 ARG 26 3.896 -0.402 11.918
116 HG3 ARG 26 HG1 ARG 26 3.821 1.252 11.302
117 HD2 ARG 26 HD2 ARG 26 1.509 1.411 11.712
118 HD3 ARG 26 HD1 ARG 26 1.342 -0.332 11.914
119 HE ARG 26 HE ARG 26 2.970 0.251 13.937
120 HH11 ARG 26 HH11 ARG 26 0.033 1.828 12.854
121 HH12 ARG 26 HH12 ARG 26 -0.409 2.369 14.443
122 HH21 ARG 26 HH21 ARG 26 2.370 0.951 16.034
123 HH22 ARG 26 HH22 ARG 26 0.917 1.878 16.244
124 HA PRO 27 HA PRO 27 0.769 -2.909 6.316
125 HB2 PRO 27 HB2 PRO 27 -1.730 -2.016 6.032
126 HB3 PRO 27 HB1 PRO 27 -1.388 -3.327 7.166
127 HG2 PRO 27 HG2 PRO 27 -1.656 -0.380 7.733
128 HG3 PRO 27 HG1 PRO 27 -2.468 -1.737 8.546
129 HD2 PRO 27 HD2 PRO 27 -0.225 -0.673 9.565
130 HD3 PRO 27 HD1 PRO 27 -0.567 -2.355 9.690
131 H PHE 28 HN PHE 28 1.828 -1.842 4.843
132 HA PHE 28 HA PHE 28 1.092 0.913 4.192
133 HB2 PHE 28 HB2 PHE 28 3.215 0.966 2.899
134 HB3 PHE 28 HB1 PHE 28 3.462 0.671 4.607
135 HD1 PHE 28 HD2 PHE 28 3.416 -2.020 5.150
136 HD2 PHE 28 HD1 PHE 28 4.620 -0.203 1.489
137 HE1 PHE 28 HE2 PHE 28 4.794 -3.982 4.632
138 HE2 PHE 28 HE1 PHE 28 5.989 -2.173 0.968
139 HZ PHE 28 HZ PHE 28 6.084 -4.064 2.538
140 H PHE 29 HN PHE 29 -0.083 1.270 2.448
141 HA PHE 29 HA PHE 29 -0.909 -1.050 0.913
142 HB2 PHE 29 HB2 PHE 29 -2.005 1.773 0.842
143 HB3 PHE 29 HB1 PHE 29 -2.723 0.342 0.103
144 HD1 PHE 29 HD1 PHE 29 -1.674 1.630 3.451
145 HD2 PHE 29 HD2 PHE 29 -4.370 -0.764 1.198
146 HE1 PHE 29 HE1 PHE 29 -3.000 1.220 5.484
147 HE2 PHE 29 HE2 PHE 29 -5.694 -1.182 3.220
148 HZ PHE 29 HZ PHE 29 -5.013 -0.196 5.363
149 H ILE 30 HN ILE 30 -0.017 -1.488 -0.926
150 HA ILE 30 HA ILE 30 1.416 0.632 -2.355
151 HB ILE 30 HB ILE 30 1.553 -2.326 -2.931
152 HG12 ILE 30 HG12 ILE 30 3.482 -0.693 -1.335
153 HG13 ILE 30 HG11 ILE 30 2.256 -1.702 -0.584
154 HG21 ILE 30 HG21 ILE 30 2.275 -0.849 -4.737
155 HG22 ILE 30 HG22 ILE 30 3.659 -1.691 -4.039
156 HG23 ILE 30 HG23 ILE 30 3.357 -0.003 -3.629
157 HD11 ILE 30 HD11 ILE 30 3.252 -3.667 -1.652
158 HD12 ILE 30 HD12 ILE 30 4.402 -2.824 -0.613
159 HD13 ILE 30 HD13 ILE 30 4.494 -2.639 -2.366
160 H ASP 31 HN ASP 31 0.607 1.436 -4.115
161 HA ASP 31 HA ASP 31 -1.514 -0.006 -5.524
162 HB2 ASP 31 HB2 ASP 31 -1.840 2.421 -5.269
163 HB3 ASP 31 HB1 ASP 31 -0.330 2.717 -6.127
164 H HIS 32 HN HIS 32 -0.817 -1.566 -6.709
165 HA HIS 32 HA HIS 32 1.899 -1.640 -7.660
166 HB2 HIS 32 HB2 HIS 32 -0.392 -3.612 -7.795
167 HB3 HIS 32 HB1 HIS 32 1.190 -3.944 -8.479
168 HD1 HIS 32 HD1 HIS 32 2.018 -5.755 -6.851
169 HD2 HIS 32 HD2 HIS 32 0.613 -2.350 -4.921
170 HE1 HIS 32 HE1 HIS 32 2.579 -6.025 -4.389
171 HE2 HIS 32 HE2 HIS 32 1.525 -4.075 -3.265
172 H ASN 33 HN ASN 33 -0.868 -0.290 -8.837
173 HA ASN 33 HA ASN 33 -0.306 -0.807 -11.652
174 HB2 ASN 33 HB2 ASN 33 -2.313 1.120 -10.464
175 HB3 ASN 33 HB1 ASN 33 -2.250 0.551 -12.128
176 HD21 ASN 33 HD21 ASN 33 -3.145 -0.171 -8.873
177 HD22 ASN 33 HD22 ASN 33 -4.058 -1.612 -9.227
178 H THR 34 HN THR 34 -0.403 1.957 -9.422
179 HA THR 34 HA THR 34 0.881 3.642 -11.437
180 HB THR 34 HB THR 34 -0.034 4.633 -8.757
181 HG1 THR 34 HG1 THR 34 -1.938 3.814 -9.253
182 HG21 THR 34 HG21 THR 34 -0.575 6.647 -10.054
183 HG22 THR 34 HG22 THR 34 -0.052 5.839 -11.530
184 HG23 THR 34 HG23 THR 34 1.117 6.193 -10.257
185 H LYS 35 HN LYS 35 1.897 1.658 -9.014
186 HA LYS 35 HA LYS 35 3.863 1.366 -7.902
187 HB2 LYS 35 HB2 LYS 35 4.748 3.623 -9.706
188 HB3 LYS 35 HB1 LYS 35 5.824 2.853 -8.555
189 HG2 LYS 35 HG2 LYS 35 6.263 1.862 -10.644
190 HG3 LYS 35 HG1 LYS 35 5.341 0.675 -9.723
191 HD2 LYS 35 HD2 LYS 35 3.348 1.167 -10.942
192 HD3 LYS 35 HD1 LYS 35 4.100 2.562 -11.719
193 HE2 LYS 35 HE2 LYS 35 5.654 1.090 -12.885
194 HE3 LYS 35 HE1 LYS 35 4.944 -0.311 -12.082
195 HZ1 LYS 35 HZ1 LYS 35 2.972 -0.087 -13.276
196 HZ2 LYS 35 HZ2 LYS 35 4.175 0.216 -14.430
197 HZ3 LYS 35 HZ3 LYS 35 3.309 1.506 -13.750
198 H THR 36 HN THR 36 1.748 3.221 -6.965
199 HA THR 36 HA THR 36 3.334 5.211 -5.489
200 HB THR 36 HB THR 36 1.078 6.261 -5.003
201 HG1 THR 36 HG1 THR 36 -0.143 4.341 -5.577
202 HG21 THR 36 HG21 THR 36 0.895 7.292 -7.228
203 HG22 THR 36 HG22 THR 36 1.942 6.034 -7.888
204 HG23 THR 36 HG23 THR 36 2.573 7.171 -6.696
205 H THR 37 HN THR 37 3.603 5.029 -3.356
206 HA THR 37 HA THR 37 2.076 2.931 -1.982
207 HB THR 37 HB THR 37 4.041 3.096 -0.319
208 HG1 THR 37 HG1 THR 37 5.956 3.897 -1.228
209 HG21 THR 37 HG21 THR 37 3.660 1.183 -1.784
210 HG22 THR 37 HG22 THR 37 5.382 1.548 -1.666
211 HG23 THR 37 HG23 THR 37 4.478 2.021 -3.106
212 H THR 38 HN THR 38 0.987 3.344 -0.139
213 HA THR 38 HA THR 38 1.207 5.944 1.150
214 HB THR 38 HB THR 38 -0.386 6.428 -0.608
215 HG1 THR 38 HG1 THR 38 -2.360 6.630 0.875
216 HG21 THR 38 HG21 THR 38 -2.491 5.186 -0.832
217 HG22 THR 38 HG22 THR 38 -1.951 4.053 0.408
218 HG23 THR 38 HG23 THR 38 -1.094 4.150 -1.130
219 H TRP 39 HN TRP 39 0.257 5.961 3.263
220 HA TRP 39 HA TRP 39 -0.114 3.276 4.369
221 HB2 TRP 39 HB2 TRP 39 0.001 5.883 5.888
222 HB3 TRP 39 HB1 TRP 39 0.166 4.258 6.541
223 HD1 TRP 39 HD1 TRP 39 2.061 6.955 4.687
224 HE1 TRP 39 HE1 TRP 39 4.585 6.369 4.717
225 HE3 TRP 39 HE3 TRP 39 1.768 2.248 6.643
226 HZ2 TRP 39 HZ2 TRP 39 6.213 4.174 5.490
227 HZ3 TRP 39 HZ3 TRP 39 3.836 0.975 7.015
228 HH2 TRP 39 HH2 TRP 39 6.011 1.914 6.450
229 H GLU 40 HN GLU 40 -1.973 5.704 3.118
230 HA GLU 40 HA GLU 40 -4.055 5.397 5.110
231 HB2 GLU 40 HB2 GLU 40 -5.176 7.270 4.047
232 HB3 GLU 40 HB1 GLU 40 -3.503 7.650 4.448
233 HG2 GLU 40 HG2 GLU 40 -4.030 8.638 2.379
234 HG3 GLU 40 HG1 GLU 40 -2.897 7.332 2.087
235 H ASP 41 HN ASP 41 -6.274 5.004 4.381
236 HA ASP 41 HA ASP 41 -5.981 2.500 2.873
237 HB2 ASP 41 HB2 ASP 41 -6.552 2.491 5.351
238 HB3 ASP 41 HB1 ASP 41 -8.097 3.161 4.912
239 HA PRO 42 HA PRO 42 -8.691 4.197 -0.197
240 HB2 PRO 42 HB2 PRO 42 -9.286 1.853 -1.472
241 HB3 PRO 42 HB1 PRO 42 -7.789 2.760 -1.714
242 HG2 PRO 42 HG2 PRO 42 -8.298 0.368 0.005
243 HG3 PRO 42 HG1 PRO 42 -6.905 0.728 -1.031
244 HD2 PRO 42 HD2 PRO 42 -6.830 1.066 1.644
245 HD3 PRO 42 HD1 PRO 42 -5.945 2.130 0.534
246 H ARG 43 HN ARG 43 -9.635 1.876 2.189
247 HA ARG 43 HA ARG 43 -12.415 1.792 1.394
248 HB2 ARG 43 HB2 ARG 43 -12.689 0.252 3.035
249 HB3 ARG 43 HB1 ARG 43 -10.938 0.158 2.963
250 HG2 ARG 43 HG2 ARG 43 -10.852 1.829 4.815
251 HG3 ARG 43 HG1 ARG 43 -12.606 1.712 4.933
252 HD2 ARG 43 HD2 ARG 43 -11.879 0.238 6.565
253 HD3 ARG 43 HD1 ARG 43 -12.187 -0.822 5.189
254 HE ARG 43 HE ARG 43 -9.555 -0.158 4.935
255 HH11 ARG 43 HH11 ARG 43 -11.500 -1.602 7.468
256 HH12 ARG 43 HH12 ARG 43 -10.168 -2.453 8.181
257 HH21 ARG 43 HH21 ARG 43 -7.804 -1.231 5.879
258 HH22 ARG 43 HH22 ARG 43 -8.048 -2.228 7.291
259 H LEU 44 HN LEU 44 -10.385 3.896 3.062
260 HA LEU 44 HA LEU 44 -12.338 5.166 4.696
261 HB2 LEU 44 HB2 LEU 44 -9.561 5.953 3.859
262 HB3 LEU 44 HB1 LEU 44 -10.544 6.961 4.892
263 HG LEU 44 HG LEU 44 -9.711 4.146 5.556
264 HD11 LEU 44 HD11 LEU 44 -8.642 6.784 6.554
265 HD12 LEU 44 HD12 LEU 44 -7.792 5.651 5.503
266 HD13 LEU 44 HD13 LEU 44 -8.187 5.191 7.159
267 HD21 LEU 44 HD21 LEU 44 -11.818 4.818 6.593
268 HD22 LEU 44 HD22 LEU 44 -11.048 6.276 7.220
269 HD23 LEU 44 HD23 LEU 44 -10.527 4.690 7.790
270 H LYS 45 HN LYS 45 -11.796 5.123 1.502
271 HA LYS 45 HA LYS 45 -12.700 7.825 0.926
272 HB2 LYS 45 HB2 LYS 45 -10.969 6.709 -0.502
273 HB3 LYS 45 HB1 LYS 45 -12.188 5.541 -0.993
274 HG2 LYS 45 HG2 LYS 45 -13.537 7.384 -1.918
275 HG3 LYS 45 HG1 LYS 45 -12.246 8.508 -1.498
276 HD2 LYS 45 HD2 LYS 45 -11.990 6.168 -3.386
277 HD3 LYS 45 HD1 LYS 45 -12.185 7.851 -3.866
278 HE2 LYS 45 HE2 LYS 45 -9.900 7.561 -4.040
279 HE3 LYS 45 HE1 LYS 45 -10.060 8.241 -2.424
280 HZ1 LYS 45 HZ1 LYS 45 -9.810 5.346 -3.033
281 HZ2 LYS 45 HZ2 LYS 45 -9.864 6.043 -1.490
282 HZ3 LYS 45 HZ3 LYS 45 -8.540 6.338 -2.505
283 H GLN 112 H GLN 112 6.299 10.417 4.246
284 HA GLN 112 HA GLN 112 8.202 9.212 5.066
285 HB2 GLN 112 HB2 GLN 112 6.786 8.781 7.295
286 HB3 GLN 112 HB1 GLN 112 6.396 7.286 6.463
287 HG2 GLN 112 HG2 GLN 112 9.200 8.233 7.000
288 HG3 GLN 112 HG1 GLN 112 8.306 7.138 8.048
289 HE21 GLN 112 HE21 GLN 112 7.044 5.717 5.846
290 HE22 GLN 112 HE22 GLN 112 8.276 4.750 5.116
291 H ILE 113 HN ILE 113 8.676 8.253 3.199
292 HA ILE 113 HA ILE 113 6.718 7.199 1.471
293 HB ILE 113 HB ILE 113 8.700 8.190 0.561
294 HG12 ILE 113 HG12 ILE 113 8.704 5.226 -0.044
295 HG13 ILE 113 HG11 ILE 113 7.573 6.390 -0.723
296 HG21 ILE 113 HG21 ILE 113 10.907 7.134 0.740
297 HG22 ILE 113 HG22 ILE 113 10.236 5.945 1.856
298 HG23 ILE 113 HG23 ILE 113 10.287 7.649 2.309
299 HD11 ILE 113 HD11 ILE 113 10.555 6.394 -1.122
300 HD12 ILE 113 HD12 ILE 113 9.418 7.553 -1.813
301 HD13 ILE 113 HD13 ILE 113 9.347 5.856 -2.290
302 HA PRO 114 HA PRO 114 6.689 2.964 3.083
303 HB2 PRO 114 HB2 PRO 114 4.604 2.498 1.121
304 HB3 PRO 114 HB1 PRO 114 4.498 2.449 2.881
305 HG2 PRO 114 HG2 PRO 114 3.315 4.365 1.339
306 HG3 PRO 114 HG1 PRO 114 3.809 4.615 3.023
307 HD2 PRO 114 HD2 PRO 114 5.142 5.491 0.507
308 HD3 PRO 114 HD1 PRO 114 5.016 6.313 2.075
309 HA PRO 115 HA PRO 115 9.206 1.055 -0.163
310 HB2 PRO 115 HB2 PRO 115 8.071 -1.365 1.164
311 HB3 PRO 115 HB1 PRO 115 9.739 -1.004 0.730
312 HG2 PRO 115 HG2 PRO 115 8.956 -0.824 3.251
313 HG3 PRO 115 HG1 PRO 115 10.052 0.392 2.566
314 HD2 PRO 115 HD2 PRO 115 7.133 0.584 3.151
315 HD3 PRO 115 HD1 PRO 115 8.407 1.814 3.303
316 HA PRO 116 HA PRO 116 6.046 0.159 -3.301
317 HB2 PRO 116 HB2 PRO 116 8.108 -0.921 -4.893
318 HB3 PRO 116 HB1 PRO 116 7.434 0.714 -4.998
319 HG2 PRO 116 HG2 PRO 116 9.792 -0.270 -3.455
320 HG3 PRO 116 HG1 PRO 116 9.617 1.218 -4.423
321 HD2 PRO 116 HD2 PRO 116 9.332 1.451 -1.906
322 HD3 PRO 116 HD1 PRO 116 8.057 2.103 -2.907
323 H TYR 117 HN TYR 117 6.099 -1.331 -4.701
324 HA TYR 117 HA TYR 117 5.561 -3.935 -3.509
325 HB2 TYR 117 HB2 TYR 117 4.346 -4.489 -5.482
326 HB3 TYR 117 HB1 TYR 117 3.974 -2.812 -5.113
327 HD1 TYR 117 HD1 TYR 117 5.028 -0.997 -6.494
328 HD2 TYR 117 HD2 TYR 117 5.328 -5.113 -7.524
329 HE1 TYR 117 HE1 TYR 117 5.650 -0.375 -8.791
330 HE2 TYR 117 HE2 TYR 117 5.957 -4.505 -9.813
331 HH TYR 117 HH TYR 117 5.702 -2.630 -11.346
332 H VAL 118 HN VAL 118 6.725 -5.753 -3.742
333 HA VAL 118 HA VAL 118 9.068 -5.631 -5.530
334 HB VAL 118 HB VAL 118 10.095 -7.354 -4.079
335 HG11 VAL 118 HG11 VAL 118 10.623 -5.013 -3.715
336 HG12 VAL 118 HG12 VAL 118 10.583 -5.876 -2.178
337 HG13 VAL 118 HG13 VAL 118 9.231 -4.845 -2.644
338 HG21 VAL 118 HG21 VAL 118 7.702 -6.882 -2.300
339 HG22 VAL 118 HG22 VAL 118 9.128 -7.831 -1.877
340 HG23 VAL 118 HG23 VAL 118 8.066 -8.367 -3.181
341 H GLU 119 HN GLU 119 6.075 -7.016 -5.064
342 HA GLU 119 HA GLU 119 6.536 -9.626 -6.084
343 HB2 GLU 119 HB2 GLU 119 3.956 -8.058 -6.166
344 HB3 GLU 119 HB1 GLU 119 4.137 -9.804 -6.244
345 HG2 GLU 119 HG2 GLU 119 3.583 -9.641 -4.066
346 HG3 GLU 119 HG1 GLU 119 5.317 -9.373 -3.893
347 HA PRO 120 HA PRO 120 7.191 -8.255 -10.282
348 HB2 PRO 120 HB2 PRO 120 7.515 -11.086 -10.910
349 HB3 PRO 120 HB1 PRO 120 8.717 -9.795 -10.942
350 HG2 PRO 120 HG2 PRO 120 8.760 -11.789 -9.108
351 HG3 PRO 120 HG1 PRO 120 9.356 -10.155 -8.765
352 HD2 PRO 120 HD2 PRO 120 6.733 -11.409 -8.027
353 HD3 PRO 120 HD1 PRO 120 7.798 -10.368 -7.056
Start of MODEL 11
1 H PHE 12 H PHE 12 -12.099 -8.530 -0.315
2 HA PHE 12 HA PHE 12 -13.345 -6.808 -1.500
3 HB2 PHE 12 HB2 PHE 12 -13.882 -5.472 0.484
4 HB3 PHE 12 HB1 PHE 12 -13.684 -7.166 0.912
5 HD1 PHE 12 HD2 PHE 12 -11.781 -7.899 2.240
6 HD2 PHE 12 HD1 PHE 12 -12.334 -3.795 1.253
7 HE1 PHE 12 HE2 PHE 12 -10.153 -7.265 3.971
8 HE2 PHE 12 HE1 PHE 12 -10.705 -3.156 2.984
9 HZ PHE 12 HZ PHE 12 -9.613 -4.893 4.346
10 H LEU 13 HN LEU 13 -10.165 -6.336 -1.610
11 HA LEU 13 HA LEU 13 -10.088 -3.446 -1.498
12 HB2 LEU 13 HB2 LEU 13 -8.046 -5.557 -2.125
13 HB3 LEU 13 HB1 LEU 13 -7.712 -3.854 -2.367
14 HG LEU 13 HG LEU 13 -8.414 -5.138 0.257
15 HD11 LEU 13 HD11 LEU 13 -6.084 -4.679 0.844
16 HD12 LEU 13 HD12 LEU 13 -5.799 -4.098 -0.795
17 HD13 LEU 13 HD13 LEU 13 -6.211 -5.790 -0.521
18 HD21 LEU 13 HD21 LEU 13 -9.193 -2.830 0.128
19 HD22 LEU 13 HD22 LEU 13 -7.588 -2.315 -0.388
20 HD23 LEU 13 HD23 LEU 13 -7.823 -2.974 1.229
21 HA PRO 14 HA PRO 14 -10.395 -2.390 -5.886
22 HB2 PRO 14 HB2 PRO 14 -8.153 -0.784 -4.730
23 HB3 PRO 14 HB1 PRO 14 -9.281 -0.332 -6.017
24 HG2 PRO 14 HG2 PRO 14 -9.803 0.472 -3.718
25 HG3 PRO 14 HG1 PRO 14 -11.107 -0.402 -4.492
26 HD2 PRO 14 HD2 PRO 14 -9.172 -1.376 -2.388
27 HD3 PRO 14 HD1 PRO 14 -10.933 -1.634 -2.479
28 H LYS 15 HN LYS 15 -9.203 -2.493 -7.562
29 HA LYS 15 HA LYS 15 -7.696 -4.908 -7.695
30 HB2 LYS 15 HB2 LYS 15 -9.038 -4.242 -9.589
31 HB3 LYS 15 HB1 LYS 15 -8.115 -2.756 -9.776
32 HG2 LYS 15 HG2 LYS 15 -7.525 -4.482 -11.434
33 HG3 LYS 15 HG1 LYS 15 -6.158 -3.990 -10.432
34 HD2 LYS 15 HD2 LYS 15 -6.663 -5.997 -8.978
35 HD3 LYS 15 HD1 LYS 15 -7.782 -6.520 -10.239
36 HE2 LYS 15 HE2 LYS 15 -5.993 -6.636 -11.846
37 HE3 LYS 15 HE1 LYS 15 -4.857 -5.948 -10.686
38 HZ1 LYS 15 HZ1 LYS 15 -6.223 -8.578 -10.444
39 HZ2 LYS 15 HZ2 LYS 15 -5.171 -7.912 -9.290
40 HZ3 LYS 15 HZ3 LYS 15 -4.589 -8.329 -10.826
41 H GLY 16 HN GLY 16 -5.625 -5.240 -7.265
42 HA2 GLY 16 HA2 GLY 16 -3.334 -4.949 -7.465
43 HA3 GLY 16 HA1 GLY 16 -3.610 -3.374 -8.187
44 H TRP 17 HN TRP 17 -5.384 -3.657 -5.345
45 HA TRP 17 HA TRP 17 -3.417 -2.051 -3.930
46 HB2 TRP 17 HB2 TRP 17 -6.333 -2.631 -3.464
47 HB3 TRP 17 HB1 TRP 17 -5.327 -1.992 -2.166
48 HD1 TRP 17 HD1 TRP 17 -6.315 -1.006 -5.801
49 HE1 TRP 17 HE1 TRP 17 -6.273 1.559 -5.952
50 HE3 TRP 17 HE3 TRP 17 -4.603 0.064 -1.091
51 HZ2 TRP 17 HZ2 TRP 17 -5.610 3.751 -4.292
52 HZ3 TRP 17 HZ3 TRP 17 -4.295 2.419 -0.459
53 HH2 TRP 17 HH2 TRP 17 -4.787 4.225 -2.027
54 H GLU 18 HN GLU 18 -2.460 -2.562 -2.064
55 HA GLU 18 HA GLU 18 -2.691 -5.349 -1.155
56 HB2 GLU 18 HB2 GLU 18 -0.526 -4.131 -2.468
57 HB3 GLU 18 HB1 GLU 18 -0.028 -4.374 -0.819
58 HG2 GLU 18 HG2 GLU 18 -1.280 -6.604 -2.350
59 HG3 GLU 18 HG1 GLU 18 0.413 -6.189 -2.615
60 H VAL 19 HN VAL 19 -2.207 -5.688 0.915
61 HA VAL 19 HA VAL 19 -1.695 -3.396 2.674
62 HB VAL 19 HB VAL 19 -3.563 -5.629 3.475
63 HG11 VAL 19 HG11 VAL 19 -3.010 -2.940 4.717
64 HG12 VAL 19 HG12 VAL 19 -2.388 -4.486 5.292
65 HG13 VAL 19 HG13 VAL 19 -4.123 -4.162 5.335
66 HG21 VAL 19 HG21 VAL 19 -5.418 -4.059 3.206
67 HG22 VAL 19 HG22 VAL 19 -4.622 -4.386 1.666
68 HG23 VAL 19 HG23 VAL 19 -4.312 -2.872 2.517
69 H ARG 20 HN ARG 20 0.459 -4.015 2.861
70 HA ARG 20 HA ARG 20 0.866 -6.651 4.104
71 HB2 ARG 20 HB2 ARG 20 1.863 -6.194 1.751
72 HB3 ARG 20 HB1 ARG 20 3.011 -5.171 2.617
73 HG2 ARG 20 HG2 ARG 20 3.667 -7.100 3.999
74 HG3 ARG 20 HG1 ARG 20 2.567 -8.114 3.064
75 HD2 ARG 20 HD2 ARG 20 4.962 -6.619 2.050
76 HD3 ARG 20 HD1 ARG 20 4.811 -8.366 2.217
77 HE ARG 20 HE ARG 20 2.734 -7.574 0.561
78 HH11 ARG 20 HH11 ARG 20 6.249 -7.508 0.434
79 HH12 ARG 20 HH12 ARG 20 6.281 -7.534 -1.298
80 HH21 ARG 20 HH21 ARG 20 2.772 -7.580 -1.629
81 HH22 ARG 20 HH22 ARG 20 4.279 -7.524 -2.504
82 H HIS 21 HN HIS 21 2.295 -6.790 5.832
83 HA HIS 21 HA HIS 21 2.702 -4.246 7.243
84 HB2 HIS 21 HB2 HIS 21 2.457 -7.085 8.081
85 HB3 HIS 21 HB1 HIS 21 3.565 -6.093 9.010
86 HD1 HIS 21 HD1 HIS 21 0.998 -7.389 10.163
87 HD2 HIS 21 HD2 HIS 21 1.239 -3.380 8.904
88 HE1 HIS 21 HE1 HIS 21 -0.674 -6.106 11.521
89 HE2 HIS 21 HE2 HIS 21 -0.457 -3.733 10.817
90 H ALA 22 HN ALA 22 4.609 -3.299 7.019
91 HA ALA 22 HA ALA 22 6.938 -4.612 6.041
92 HB1 ALA 22 HB1 ALA 22 6.547 -2.224 5.699
93 HB2 ALA 22 HB2 ALA 22 8.069 -2.495 6.553
94 HB3 ALA 22 HB3 ALA 22 6.642 -1.951 7.440
95 HA PRO 23 HA PRO 23 8.835 -6.338 9.629
96 HB2 PRO 23 HB2 PRO 23 11.311 -5.100 9.747
97 HB3 PRO 23 HB1 PRO 23 10.915 -6.497 8.744
98 HG2 PRO 23 HG2 PRO 23 11.036 -3.606 8.004
99 HG3 PRO 23 HG1 PRO 23 11.562 -5.024 7.079
100 HD2 PRO 23 HD2 PRO 23 9.269 -3.768 6.509
101 HD3 PRO 23 HD1 PRO 23 9.402 -5.537 6.397
102 H ASN 24 HN ASN 24 8.357 -2.963 9.489
103 HA ASN 24 HA ASN 24 9.165 -2.420 12.201
104 HB2 ASN 24 HB2 ASN 24 8.082 -0.175 11.783
105 HB3 ASN 24 HB1 ASN 24 9.426 -0.570 10.719
106 HD21 ASN 24 HD21 ASN 24 8.726 0.889 9.182
107 HD22 ASN 24 HD22 ASN 24 7.358 0.589 8.172
108 H GLY 25 HN GLY 25 6.491 -3.701 10.599
109 HA2 GLY 25 HA2 GLY 25 4.782 -4.819 11.789
110 HA3 GLY 25 HA1 GLY 25 5.042 -3.708 13.118
111 H ARG 26 HN ARG 26 4.813 -2.416 9.927
112 HA ARG 26 HA ARG 26 2.075 -1.488 10.529
113 HB2 ARG 26 HB2 ARG 26 4.447 -0.006 9.383
114 HB3 ARG 26 HB1 ARG 26 2.810 0.583 9.155
115 HG2 ARG 26 HG2 ARG 26 4.141 0.127 11.816
116 HG3 ARG 26 HG1 ARG 26 3.973 1.687 11.008
117 HD2 ARG 26 HD2 ARG 26 1.707 -0.092 11.906
118 HD3 ARG 26 HD1 ARG 26 2.266 1.360 12.734
119 HE ARG 26 HE ARG 26 1.680 2.314 10.299
120 HH11 ARG 26 HH11 ARG 26 -0.114 0.205 12.437
121 HH12 ARG 26 HH12 ARG 26 -1.670 0.788 11.925
122 HH21 ARG 26 HH21 ARG 26 -0.407 3.088 9.607
123 HH22 ARG 26 HH22 ARG 26 -1.834 2.403 10.325
124 HA PRO 27 HA PRO 27 1.169 -2.916 6.389
125 HB2 PRO 27 HB2 PRO 27 -1.373 -2.124 6.250
126 HB3 PRO 27 HB1 PRO 27 -0.905 -3.383 7.397
127 HG2 PRO 27 HG2 PRO 27 -1.293 -0.440 7.895
128 HG3 PRO 27 HG1 PRO 27 -1.939 -1.815 8.817
129 HD2 PRO 27 HD2 PRO 27 0.320 -0.546 9.572
130 HD3 PRO 27 HD1 PRO 27 0.070 -2.228 9.858
131 H PHE 28 HN PHE 28 1.944 -1.942 4.729
132 HA PHE 28 HA PHE 28 1.175 0.815 4.125
133 HB2 PHE 28 HB2 PHE 28 3.154 0.834 2.622
134 HB3 PHE 28 HB1 PHE 28 3.578 0.557 4.302
135 HD1 PHE 28 HD1 PHE 28 3.630 -2.112 4.898
136 HD2 PHE 28 HD2 PHE 28 4.319 -0.377 1.071
137 HE1 PHE 28 HE1 PHE 28 4.958 -4.072 4.247
138 HE2 PHE 28 HE2 PHE 28 5.623 -2.350 0.415
139 HZ PHE 28 HZ PHE 28 5.950 -4.200 2.003
140 H PHE 29 HN PHE 29 -0.185 1.134 2.514
141 HA PHE 29 HA PHE 29 -1.124 -1.216 1.089
142 HB2 PHE 29 HB2 PHE 29 -2.278 1.586 1.113
143 HB3 PHE 29 HB1 PHE 29 -3.023 0.145 0.423
144 HD1 PHE 29 HD1 PHE 29 -1.646 1.292 3.711
145 HD2 PHE 29 HD2 PHE 29 -4.645 -0.883 1.625
146 HE1 PHE 29 HE1 PHE 29 -2.780 0.820 5.842
147 HE2 PHE 29 HE2 PHE 29 -5.782 -1.360 3.750
148 HZ PHE 29 HZ PHE 29 -4.853 -0.516 5.861
149 H ILE 30 HN ILE 30 -0.304 -1.674 -0.785
150 HA ILE 30 HA ILE 30 1.051 0.435 -2.288
151 HB ILE 30 HB ILE 30 1.150 -2.515 -2.903
152 HG12 ILE 30 HG12 ILE 30 3.144 -0.992 -1.275
153 HG13 ILE 30 HG11 ILE 30 1.857 -1.921 -0.519
154 HG21 ILE 30 HG21 ILE 30 3.006 -0.208 -3.516
155 HG22 ILE 30 HG22 ILE 30 1.917 -0.995 -4.658
156 HG23 ILE 30 HG23 ILE 30 3.274 -1.890 -3.975
157 HD11 ILE 30 HD11 ILE 30 3.926 -3.180 -0.562
158 HD12 ILE 30 HD12 ILE 30 4.022 -2.998 -2.314
159 HD13 ILE 30 HD13 ILE 30 2.718 -3.945 -1.595
160 H ASP 31 HN ASP 31 0.368 1.136 -4.139
161 HA ASP 31 HA ASP 31 -1.878 -0.193 -5.477
162 HB2 ASP 31 HB2 ASP 31 -2.394 2.074 -5.416
163 HB3 ASP 31 HB1 ASP 31 -0.719 2.568 -5.636
164 H HIS 32 HN HIS 32 -1.305 -1.711 -6.790
165 HA HIS 32 HA HIS 32 1.378 -1.820 -7.860
166 HB2 HIS 32 HB2 HIS 32 -0.896 -3.826 -7.918
167 HB3 HIS 32 HB1 HIS 32 0.724 -4.145 -8.510
168 HD1 HIS 32 HD1 HIS 32 1.098 -6.057 -6.728
169 HD2 HIS 32 HD2 HIS 32 0.322 -2.319 -5.092
170 HE1 HIS 32 HE1 HIS 32 1.635 -6.227 -4.250
171 HE2 HIS 32 HE2 HIS 32 0.989 -4.022 -3.300
172 H ASN 33 HN ASN 33 -1.364 -0.384 -8.854
173 HA ASN 33 HA ASN 33 -1.202 -1.133 -11.669
174 HB2 ASN 33 HB2 ASN 33 -2.931 1.031 -10.467
175 HB3 ASN 33 HB1 ASN 33 -3.141 0.217 -12.015
176 HD21 ASN 33 HD21 ASN 33 -3.636 0.102 -8.624
177 HD22 ASN 33 HD22 ASN 33 -4.628 -1.328 -8.607
178 H THR 34 HN THR 34 -1.309 1.991 -9.960
179 HA THR 34 HA THR 34 0.215 3.244 -12.097
180 HB THR 34 HB THR 34 -0.781 4.532 -9.547
181 HG1 THR 34 HG1 THR 34 -2.207 3.465 -11.589
182 HG21 THR 34 HG21 THR 34 0.800 5.863 -10.874
183 HG22 THR 34 HG22 THR 34 -0.816 6.568 -10.908
184 HG23 THR 34 HG23 THR 34 -0.222 5.658 -12.296
185 H LYS 35 HN LYS 35 0.832 1.577 -9.314
186 HA LYS 35 HA LYS 35 2.778 0.929 -8.352
187 HB2 LYS 35 HB2 LYS 35 4.216 2.930 -10.100
188 HB3 LYS 35 HB1 LYS 35 4.914 1.551 -9.272
189 HG2 LYS 35 HG2 LYS 35 3.088 1.541 -11.660
190 HG3 LYS 35 HG1 LYS 35 4.756 0.978 -11.563
191 HD2 LYS 35 HD2 LYS 35 3.992 -0.788 -9.976
192 HD3 LYS 35 HD1 LYS 35 2.334 -0.264 -10.258
193 HE2 LYS 35 HE2 LYS 35 2.847 -2.190 -11.633
194 HE3 LYS 35 HE1 LYS 35 2.603 -0.769 -12.648
195 HZ1 LYS 35 HZ1 LYS 35 4.545 -2.185 -13.259
196 HZ2 LYS 35 HZ2 LYS 35 5.282 -1.727 -11.801
197 HZ3 LYS 35 HZ3 LYS 35 4.923 -0.556 -12.979
198 H THR 36 HN THR 36 1.119 2.979 -7.292
199 HA THR 36 HA THR 36 3.044 4.846 -6.067
200 HB THR 36 HB THR 36 1.039 6.138 -5.341
201 HG1 THR 36 HG1 THR 36 -0.356 4.270 -7.001
202 HG21 THR 36 HG21 THR 36 2.233 6.746 -7.384
203 HG22 THR 36 HG22 THR 36 0.502 7.039 -7.558
204 HG23 THR 36 HG23 THR 36 1.237 5.621 -8.309
205 H THR 37 HN THR 37 3.051 5.143 -3.756
206 HA THR 37 HA THR 37 1.828 2.888 -2.312
207 HB THR 37 HB THR 37 3.809 3.094 -0.739
208 HG1 THR 37 HG1 THR 37 5.639 4.119 -1.570
209 HG21 THR 37 HG21 THR 37 5.256 1.739 -2.178
210 HG22 THR 37 HG22 THR 37 4.316 2.229 -3.587
211 HG23 THR 37 HG23 THR 37 3.570 1.253 -2.322
212 H THR 38 HN THR 38 0.921 3.256 -0.324
213 HA THR 38 HA THR 38 1.105 5.872 0.918
214 HB THR 38 HB THR 38 -0.733 6.204 -0.654
215 HG1 THR 38 HG1 THR 38 -2.472 6.405 1.113
216 HG21 THR 38 HG21 THR 38 -2.038 3.841 0.696
217 HG22 THR 38 HG22 THR 38 -1.414 3.874 -0.953
218 HG23 THR 38 HG23 THR 38 -2.791 4.884 -0.509
219 H TRP 39 HN TRP 39 0.430 5.841 3.146
220 HA TRP 39 HA TRP 39 0.460 3.166 4.323
221 HB2 TRP 39 HB2 TRP 39 0.366 5.869 5.670
222 HB3 TRP 39 HB1 TRP 39 0.597 4.327 6.477
223 HD1 TRP 39 HD1 TRP 39 2.410 7.027 4.630
224 HE1 TRP 39 HE1 TRP 39 4.956 6.538 4.696
225 HE3 TRP 39 HE3 TRP 39 2.249 2.279 6.470
226 HZ2 TRP 39 HZ2 TRP 39 6.653 4.381 5.454
227 HZ3 TRP 39 HZ3 TRP 39 4.349 1.066 6.845
228 HH2 TRP 39 HH2 TRP 39 6.501 2.091 6.349
229 H GLU 40 HN GLU 40 -1.850 5.378 3.304
230 HA GLU 40 HA GLU 40 -3.573 4.857 5.594
231 HB2 GLU 40 HB2 GLU 40 -4.820 6.880 4.823
232 HB3 GLU 40 HB1 GLU 40 -3.151 7.150 5.319
233 HG2 GLU 40 HG2 GLU 40 -3.432 8.466 3.455
234 HG3 GLU 40 HG1 GLU 40 -2.559 7.059 2.865
235 H ASP 41 HN ASP 41 -5.940 4.841 5.125
236 HA ASP 41 HA ASP 41 -6.179 2.435 3.511
237 HB2 ASP 41 HB2 ASP 41 -7.993 3.653 5.598
238 HB3 ASP 41 HB1 ASP 41 -8.365 2.176 4.721
239 HA PRO 42 HA PRO 42 -8.529 4.404 0.296
240 HB2 PRO 42 HB2 PRO 42 -9.625 2.124 -0.753
241 HB3 PRO 42 HB1 PRO 42 -7.989 2.690 -1.105
242 HG2 PRO 42 HG2 PRO 42 -8.900 0.572 0.785
243 HG3 PRO 42 HG1 PRO 42 -7.467 0.607 -0.254
244 HD2 PRO 42 HD2 PRO 42 -7.373 1.112 2.417
245 HD3 PRO 42 HD1 PRO 42 -6.248 1.843 1.257
246 H ARG 43 HN ARG 43 -9.788 2.656 2.940
247 HA ARG 43 HA ARG 43 -12.561 2.911 2.267
248 HB2 ARG 43 HB2 ARG 43 -11.089 2.221 4.789
249 HB3 ARG 43 HB1 ARG 43 -12.822 2.513 4.809
250 HG2 ARG 43 HG2 ARG 43 -11.391 0.413 3.191
251 HG3 ARG 43 HG1 ARG 43 -12.357 0.145 4.645
252 HD2 ARG 43 HD2 ARG 43 -14.331 1.015 3.494
253 HD3 ARG 43 HD1 ARG 43 -13.368 1.282 2.043
254 HE ARG 43 HE ARG 43 -13.750 -1.415 3.183
255 HH11 ARG 43 HH11 ARG 43 -13.869 0.830 0.492
256 HH12 ARG 43 HH12 ARG 43 -14.298 -0.390 -0.673
257 HH21 ARG 43 HH21 ARG 43 -14.322 -3.013 1.656
258 HH22 ARG 43 HH22 ARG 43 -14.569 -2.577 -0.011
259 H LEU 44 HN LEU 44 -10.201 5.080 3.299
260 HA LEU 44 HA LEU 44 -11.973 6.896 4.649
261 HB2 LEU 44 HB2 LEU 44 -9.178 7.293 3.584
262 HB3 LEU 44 HB1 LEU 44 -10.049 8.464 4.557
263 HG LEU 44 HG LEU 44 -9.284 5.695 5.495
264 HD11 LEU 44 HD11 LEU 44 -7.309 7.074 5.111
265 HD12 LEU 44 HD12 LEU 44 -7.586 6.825 6.836
266 HD13 LEU 44 HD13 LEU 44 -8.013 8.365 6.087
267 HD21 LEU 44 HD21 LEU 44 -10.386 8.082 6.980
268 HD22 LEU 44 HD22 LEU 44 -9.882 6.555 7.707
269 HD23 LEU 44 HD23 LEU 44 -11.262 6.596 6.610
270 H LYS 45 HN LYS 45 -11.573 5.986 1.573
271 HA LYS 45 HA LYS 45 -12.168 8.622 0.414
272 HB2 LYS 45 HB2 LYS 45 -10.943 6.229 -0.973
273 HB3 LYS 45 HB1 LYS 45 -11.106 7.860 -1.621
274 HG2 LYS 45 HG2 LYS 45 -9.492 8.718 -0.142
275 HG3 LYS 45 HG1 LYS 45 -9.524 7.266 0.855
276 HD2 LYS 45 HD2 LYS 45 -8.619 6.011 -1.121
277 HD3 LYS 45 HD1 LYS 45 -8.385 7.575 -1.913
278 HE2 LYS 45 HE2 LYS 45 -6.945 8.302 -0.099
279 HE3 LYS 45 HE1 LYS 45 -7.220 6.785 0.755
280 HZ1 LYS 45 HZ1 LYS 45 -6.198 5.668 -1.211
281 HZ2 LYS 45 HZ2 LYS 45 -5.143 6.631 -0.300
282 HZ3 LYS 45 HZ3 LYS 45 -5.752 7.200 -1.783
283 H GLN 112 H GLN 112 9.196 8.392 6.762
284 HA GLN 112 HA GLN 112 7.636 6.567 7.147
285 HB2 GLN 112 HB2 GLN 112 5.609 8.794 6.873
286 HB3 GLN 112 HB1 GLN 112 5.221 7.081 6.806
287 HG2 GLN 112 HG2 GLN 112 5.893 6.775 9.078
288 HG3 GLN 112 HG1 GLN 112 6.510 8.424 9.165
289 HE21 GLN 112 HE21 GLN 112 5.084 10.125 9.339
290 HE22 GLN 112 HE22 GLN 112 3.426 9.908 9.784
291 H ILE 113 HN ILE 113 8.744 5.999 5.289
292 HA ILE 113 HA ILE 113 7.622 7.024 2.762
293 HB ILE 113 HB ILE 113 10.274 5.661 3.264
294 HG12 ILE 113 HG12 ILE 113 10.245 7.970 4.065
295 HG13 ILE 113 HG11 ILE 113 11.254 7.831 2.630
296 HG21 ILE 113 HG21 ILE 113 10.766 6.136 0.908
297 HG22 ILE 113 HG22 ILE 113 9.124 6.745 0.693
298 HG23 ILE 113 HG23 ILE 113 9.392 5.047 1.088
299 HD11 ILE 113 HD11 ILE 113 8.439 8.897 2.710
300 HD12 ILE 113 HD12 ILE 113 9.449 8.756 1.272
301 HD13 ILE 113 HD13 ILE 113 9.915 9.853 2.572
302 HA PRO 114 HA PRO 114 5.854 2.852 2.797
303 HB2 PRO 114 HB2 PRO 114 4.450 3.594 0.377
304 HB3 PRO 114 HB1 PRO 114 3.793 3.233 1.972
305 HG2 PRO 114 HG2 PRO 114 3.778 5.726 0.846
306 HG3 PRO 114 HG1 PRO 114 3.754 5.424 2.591
307 HD2 PRO 114 HD2 PRO 114 6.015 6.267 0.844
308 HD3 PRO 114 HD1 PRO 114 5.649 6.705 2.525
309 HA PRO 115 HA PRO 115 8.737 1.318 -0.383
310 HB2 PRO 115 HB2 PRO 115 7.942 -1.288 0.723
311 HB3 PRO 115 HB1 PRO 115 9.545 -0.570 0.591
312 HG2 PRO 115 HG2 PRO 115 8.296 -0.857 2.952
313 HG3 PRO 115 HG1 PRO 115 9.385 0.500 2.611
314 HD2 PRO 115 HD2 PRO 115 6.396 0.429 2.657
315 HD3 PRO 115 HD1 PRO 115 7.519 1.692 3.210
316 HA PRO 116 HA PRO 116 5.788 0.085 -3.566
317 HB2 PRO 116 HB2 PRO 116 7.871 -1.280 -4.902
318 HB3 PRO 116 HB1 PRO 116 7.298 0.362 -5.234
319 HG2 PRO 116 HG2 PRO 116 9.514 -0.549 -3.454
320 HG3 PRO 116 HG1 PRO 116 9.468 0.826 -4.589
321 HD2 PRO 116 HD2 PRO 116 9.071 1.350 -2.130
322 HD3 PRO 116 HD1 PRO 116 7.890 1.954 -3.270
323 H TYR 117 HN TYR 117 5.835 -1.562 -4.776
324 HA TYR 117 HA TYR 117 5.053 -3.975 -3.341
325 HB2 TYR 117 HB2 TYR 117 4.129 -4.752 -5.485
326 HB3 TYR 117 HB1 TYR 117 3.582 -3.124 -5.105
327 HD1 TYR 117 HD2 TYR 117 4.783 -1.178 -6.247
328 HD2 TYR 117 HD1 TYR 117 5.156 -5.220 -7.514
329 HE1 TYR 117 HE2 TYR 117 5.574 -0.412 -8.423
330 HE2 TYR 117 HE1 TYR 117 5.954 -4.468 -9.708
331 HH TYR 117 HH TYR 117 7.071 -1.408 -10.287
332 H VAL 118 HN VAL 118 6.081 -5.900 -3.318
333 HA VAL 118 HA VAL 118 8.737 -5.949 -4.603
334 HB VAL 118 HB VAL 118 8.017 -7.459 -2.087
335 HG11 VAL 118 HG11 VAL 118 10.445 -7.487 -1.740
336 HG12 VAL 118 HG12 VAL 118 10.668 -6.615 -3.258
337 HG13 VAL 118 HG13 VAL 118 9.993 -8.244 -3.267
338 HG21 VAL 118 HG21 VAL 118 7.645 -5.094 -1.634
339 HG22 VAL 118 HG22 VAL 118 9.247 -4.707 -2.263
340 HG23 VAL 118 HG23 VAL 118 9.085 -5.669 -0.795
341 H GLU 119 HN GLU 119 6.425 -6.829 -5.924
342 HA GLU 119 HA GLU 119 6.973 -9.719 -6.081
343 HB2 GLU 119 HB2 GLU 119 4.451 -8.616 -7.233
344 HB3 GLU 119 HB1 GLU 119 4.772 -10.209 -6.584
345 HG2 GLU 119 HG2 GLU 119 3.258 -9.252 -5.097
346 HG3 GLU 119 HG1 GLU 119 4.814 -9.072 -4.281
347 HA PRO 120 HA PRO 120 8.733 -8.500 -10.028
348 HB2 PRO 120 HB2 PRO 120 8.618 -11.432 -10.462
349 HB3 PRO 120 HB1 PRO 120 9.990 -10.326 -10.600
350 HG2 PRO 120 HG2 PRO 120 9.784 -12.006 -8.534
351 HG3 PRO 120 HG1 PRO 120 10.420 -10.362 -8.325
352 HD2 PRO 120 HD2 PRO 120 7.719 -11.453 -7.637
353 HD3 PRO 120 HD1 PRO 120 8.726 -10.288 -6.751
Start of MODEL 12
1 H PHE 12 H PHE 12 -11.585 -7.240 -1.691
2 HA PHE 12 HA PHE 12 -13.644 -6.083 -1.848
3 HB2 PHE 12 HB2 PHE 12 -14.693 -5.011 0.028
4 HB3 PHE 12 HB1 PHE 12 -14.414 -6.691 0.457
5 HD1 PHE 12 HD1 PHE 12 -12.330 -7.193 1.890
6 HD2 PHE 12 HD2 PHE 12 -13.993 -3.310 1.419
7 HE1 PHE 12 HE1 PHE 12 -11.229 -6.476 3.971
8 HE2 PHE 12 HE2 PHE 12 -12.893 -2.581 3.495
9 HZ PHE 12 HZ PHE 12 -11.510 -4.166 4.775
10 H LEU 13 HN LEU 13 -10.540 -5.711 -1.499
11 HA LEU 13 HA LEU 13 -10.574 -2.771 -1.602
12 HB2 LEU 13 HB2 LEU 13 -8.464 -4.790 -0.985
13 HB3 LEU 13 HB1 LEU 13 -7.972 -3.282 -1.731
14 HG LEU 13 HG LEU 13 -9.122 -2.080 0.162
15 HD11 LEU 13 HD11 LEU 13 -9.540 -3.323 2.207
16 HD12 LEU 13 HD12 LEU 13 -9.160 -4.833 1.382
17 HD13 LEU 13 HD13 LEU 13 -10.574 -3.896 0.898
18 HD21 LEU 13 HD21 LEU 13 -6.706 -2.343 0.068
19 HD22 LEU 13 HD22 LEU 13 -6.836 -3.922 0.845
20 HD23 LEU 13 HD23 LEU 13 -7.284 -2.464 1.729
21 HA PRO 14 HA PRO 14 -10.051 -2.470 -5.983
22 HB2 PRO 14 HB2 PRO 14 -7.653 -0.910 -5.140
23 HB3 PRO 14 HB1 PRO 14 -8.784 -0.587 -6.461
24 HG2 PRO 14 HG2 PRO 14 -9.131 0.659 -4.321
25 HG3 PRO 14 HG1 PRO 14 -10.545 -0.175 -4.927
26 HD2 PRO 14 HD2 PRO 14 -8.674 -1.004 -2.712
27 HD3 PRO 14 HD1 PRO 14 -10.456 -1.045 -2.732
28 H LYS 15 HN LYS 15 -8.906 -2.955 -7.603
29 HA LYS 15 HA LYS 15 -7.591 -5.485 -7.313
30 HB2 LYS 15 HB2 LYS 15 -9.012 -5.094 -9.234
31 HB3 LYS 15 HB1 LYS 15 -8.004 -3.749 -9.751
32 HG2 LYS 15 HG2 LYS 15 -6.153 -5.285 -10.165
33 HG3 LYS 15 HG1 LYS 15 -7.154 -6.638 -9.637
34 HD2 LYS 15 HD2 LYS 15 -7.837 -4.824 -11.947
35 HD3 LYS 15 HD1 LYS 15 -7.007 -6.371 -12.116
36 HE2 LYS 15 HE2 LYS 15 -9.745 -5.986 -10.906
37 HE3 LYS 15 HE1 LYS 15 -9.430 -6.533 -12.553
38 HZ1 LYS 15 HZ1 LYS 15 -8.658 -7.935 -10.050
39 HZ2 LYS 15 HZ2 LYS 15 -8.223 -8.438 -11.608
40 HZ3 LYS 15 HZ3 LYS 15 -9.856 -8.414 -11.151
41 H GLY 16 HN GLY 16 -5.535 -5.837 -6.877
42 HA2 GLY 16 HA2 GLY 16 -3.234 -5.725 -7.315
43 HA3 GLY 16 HA1 GLY 16 -3.470 -4.195 -8.144
44 H TRP 17 HN TRP 17 -5.196 -3.950 -5.362
45 HA TRP 17 HA TRP 17 -3.046 -2.478 -4.074
46 HB2 TRP 17 HB2 TRP 17 -6.014 -2.623 -3.626
47 HB3 TRP 17 HB1 TRP 17 -4.945 -1.873 -2.443
48 HD1 TRP 17 HD1 TRP 17 -5.882 -1.475 -6.199
49 HE1 TRP 17 HE1 TRP 17 -5.654 1.013 -6.788
50 HE3 TRP 17 HE3 TRP 17 -4.012 0.272 -1.760
51 HZ2 TRP 17 HZ2 TRP 17 -4.783 3.396 -5.567
52 HZ3 TRP 17 HZ3 TRP 17 -3.505 2.672 -1.565
53 HH2 TRP 17 HH2 TRP 17 -3.882 4.201 -3.431
54 H GLU 18 HN GLU 18 -1.781 -3.418 -2.716
55 HA GLU 18 HA GLU 18 -2.673 -5.826 -1.299
56 HB2 GLU 18 HB2 GLU 18 -0.142 -4.938 -2.418
57 HB3 GLU 18 HB1 GLU 18 0.015 -5.595 -0.816
58 HG2 GLU 18 HG2 GLU 18 -1.430 -7.537 -1.798
59 HG3 GLU 18 HG1 GLU 18 -0.821 -6.923 -3.337
60 H VAL 19 HN VAL 19 -2.327 -6.092 0.812
61 HA VAL 19 HA VAL 19 -1.559 -3.748 2.425
62 HB VAL 19 HB VAL 19 -3.345 -5.982 3.392
63 HG11 VAL 19 HG11 VAL 19 -2.827 -3.216 4.475
64 HG12 VAL 19 HG12 VAL 19 -2.164 -4.718 5.117
65 HG13 VAL 19 HG13 VAL 19 -3.902 -4.423 5.180
66 HG21 VAL 19 HG21 VAL 19 -4.201 -3.305 2.298
67 HG22 VAL 19 HG22 VAL 19 -5.255 -4.481 3.086
68 HG23 VAL 19 HG23 VAL 19 -4.485 -4.876 1.550
69 H ARG 20 HN ARG 20 0.546 -4.185 2.918
70 HA ARG 20 HA ARG 20 1.085 -6.841 4.077
71 HB2 ARG 20 HB2 ARG 20 2.063 -6.380 1.735
72 HB3 ARG 20 HB1 ARG 20 3.141 -5.256 2.553
73 HG2 ARG 20 HG2 ARG 20 3.953 -7.087 3.975
74 HG3 ARG 20 HG1 ARG 20 2.909 -8.211 3.097
75 HD2 ARG 20 HD2 ARG 20 5.171 -6.590 1.977
76 HD3 ARG 20 HD1 ARG 20 5.162 -8.331 2.233
77 HE ARG 20 HE ARG 20 3.202 -7.136 0.397
78 HH11 ARG 20 HH11 ARG 20 6.020 -9.184 0.877
79 HH12 ARG 20 HH12 ARG 20 5.883 -9.924 -0.698
80 HH21 ARG 20 HH21 ARG 20 3.039 -8.098 -1.655
81 HH22 ARG 20 HH22 ARG 20 4.201 -9.314 -2.116
82 H HIS 21 HN HIS 21 2.574 -6.886 5.800
83 HA HIS 21 HA HIS 21 2.716 -4.313 7.228
84 HB2 HIS 21 HB2 HIS 21 2.346 -7.089 8.030
85 HB3 HIS 21 HB1 HIS 21 3.659 -6.339 8.912
86 HD1 HIS 21 HD1 HIS 21 1.488 -7.250 10.569
87 HD2 HIS 21 HD2 HIS 21 1.283 -3.412 8.835
88 HE1 HIS 21 HE1 HIS 21 -0.075 -5.905 11.996
89 HE2 HIS 21 HE2 HIS 21 -0.384 -3.746 10.778
90 H ALA 22 HN ALA 22 4.595 -3.263 7.087
91 HA ALA 22 HA ALA 22 7.035 -4.498 6.248
92 HB1 ALA 22 HB1 ALA 22 8.034 -2.305 6.691
93 HB2 ALA 22 HB2 ALA 22 6.551 -1.785 7.491
94 HB3 ALA 22 HB3 ALA 22 6.542 -2.147 5.767
95 HA PRO 23 HA PRO 23 8.724 -6.007 10.017
96 HB2 PRO 23 HB2 PRO 23 11.176 -4.388 9.640
97 HB3 PRO 23 HB1 PRO 23 10.991 -6.138 9.793
98 HG2 PRO 23 HG2 PRO 23 11.540 -5.025 7.434
99 HG3 PRO 23 HG1 PRO 23 10.437 -6.409 7.560
100 HD2 PRO 23 HD2 PRO 23 9.802 -3.505 7.196
101 HD3 PRO 23 HD1 PRO 23 9.049 -4.925 6.443
102 H ASN 24 HN ASN 24 8.317 -2.649 9.643
103 HA ASN 24 HA ASN 24 9.104 -1.943 12.323
104 HB2 ASN 24 HB2 ASN 24 8.040 0.279 11.752
105 HB3 ASN 24 HB1 ASN 24 9.400 -0.189 10.741
106 HD21 ASN 24 HD21 ASN 24 8.762 1.162 9.093
107 HD22 ASN 24 HD22 ASN 24 7.400 0.805 8.081
108 H GLY 25 HN GLY 25 6.473 -3.364 10.809
109 HA2 GLY 25 HA2 GLY 25 4.774 -4.394 12.120
110 HA3 GLY 25 HA1 GLY 25 4.947 -3.089 13.274
111 H ARG 26 HN ARG 26 4.911 -1.910 10.129
112 HA ARG 26 HA ARG 26 2.080 -1.146 10.441
113 HB2 ARG 26 HB2 ARG 26 4.421 0.274 9.154
114 HB3 ARG 26 HB1 ARG 26 2.760 0.787 8.906
115 HG2 ARG 26 HG2 ARG 26 4.176 0.646 11.562
116 HG3 ARG 26 HG1 ARG 26 3.897 2.111 10.620
117 HD2 ARG 26 HD2 ARG 26 1.799 0.318 11.840
118 HD3 ARG 26 HD1 ARG 26 2.247 1.933 12.384
119 HE ARG 26 HE ARG 26 1.211 1.632 9.663
120 HH11 ARG 26 HH11 ARG 26 0.760 2.767 12.950
121 HH12 ARG 26 HH12 ARG 26 -0.686 3.665 12.572
122 HH21 ARG 26 HH21 ARG 26 -0.654 2.821 9.159
123 HH22 ARG 26 HH22 ARG 26 -1.485 3.711 10.408
124 HA PRO 27 HA PRO 27 1.438 -3.035 6.409
125 HB2 PRO 27 HB2 PRO 27 -1.168 -2.497 6.155
126 HB3 PRO 27 HB1 PRO 27 -0.616 -3.664 7.363
127 HG2 PRO 27 HG2 PRO 27 -1.348 -0.775 7.726
128 HG3 PRO 27 HG1 PRO 27 -1.823 -2.176 8.707
129 HD2 PRO 27 HD2 PRO 27 0.249 -0.573 9.383
130 HD3 PRO 27 HD1 PRO 27 0.179 -2.230 9.826
131 H PHE 28 HN PHE 28 2.284 -1.977 4.787
132 HA PHE 28 HA PHE 28 1.275 0.661 4.057
133 HB2 PHE 28 HB2 PHE 28 3.259 0.794 2.581
134 HB3 PHE 28 HB1 PHE 28 3.699 0.534 4.257
135 HD1 PHE 28 HD2 PHE 28 3.696 -2.229 4.748
136 HD2 PHE 28 HD1 PHE 28 4.714 -0.240 1.122
137 HE1 PHE 28 HE2 PHE 28 5.089 -4.142 4.093
138 HE2 PHE 28 HE1 PHE 28 6.099 -2.159 0.465
139 HZ PHE 28 HZ PHE 28 6.295 -4.111 1.952
140 H PHE 29 HN PHE 29 -0.066 0.872 2.436
141 HA PHE 29 HA PHE 29 -0.931 -1.548 1.080
142 HB2 PHE 29 HB2 PHE 29 -2.154 1.227 1.061
143 HB3 PHE 29 HB1 PHE 29 -2.870 -0.230 0.378
144 HD1 PHE 29 HD2 PHE 29 -1.546 1.020 3.643
145 HD2 PHE 29 HD1 PHE 29 -4.427 -1.350 1.606
146 HE1 PHE 29 HE2 PHE 29 -2.651 0.532 5.784
147 HE2 PHE 29 HE1 PHE 29 -5.541 -1.839 3.744
148 HZ PHE 29 HZ PHE 29 -4.646 -0.905 5.837
149 H ILE 30 HN ILE 30 -0.216 -2.027 -0.841
150 HA ILE 30 HA ILE 30 1.117 0.080 -2.392
151 HB ILE 30 HB ILE 30 1.396 -2.880 -2.873
152 HG12 ILE 30 HG12 ILE 30 3.266 -1.153 -1.295
153 HG13 ILE 30 HG11 ILE 30 2.085 -2.204 -0.532
154 HG21 ILE 30 HG21 ILE 30 3.471 -2.172 -3.983
155 HG22 ILE 30 HG22 ILE 30 3.090 -0.492 -3.608
156 HG23 ILE 30 HG23 ILE 30 2.050 -1.410 -4.698
157 HD11 ILE 30 HD11 ILE 30 4.354 -3.059 -2.316
158 HD12 ILE 30 HD12 ILE 30 3.152 -4.134 -1.600
159 HD13 ILE 30 HD13 ILE 30 4.268 -3.245 -0.564
160 H ASP 31 HN ASP 31 0.385 0.676 -4.259
161 HA ASP 31 HA ASP 31 -1.722 -0.832 -5.608
162 HB2 ASP 31 HB2 ASP 31 -2.173 1.458 -5.819
163 HB3 ASP 31 HB1 ASP 31 -0.476 1.869 -6.057
164 H HIS 32 HN HIS 32 -1.189 -2.407 -6.899
165 HA HIS 32 HA HIS 32 1.589 -2.616 -7.763
166 HB2 HIS 32 HB2 HIS 32 -0.664 -4.616 -7.555
167 HB3 HIS 32 HB1 HIS 32 0.868 -5.005 -8.322
168 HD1 HIS 32 HD1 HIS 32 1.936 -6.571 -6.633
169 HD2 HIS 32 HD2 HIS 32 0.417 -3.117 -4.867
170 HE1 HIS 32 HE1 HIS 32 2.694 -6.602 -4.217
171 HE2 HIS 32 HE2 HIS 32 1.524 -4.680 -3.150
172 H ASN 33 HN ASN 33 -1.028 -1.218 -9.014
173 HA ASN 33 HA ASN 33 -0.775 -2.264 -11.725
174 HB2 ASN 33 HB2 ASN 33 -2.459 0.058 -10.762
175 HB3 ASN 33 HB1 ASN 33 -2.576 -0.752 -12.319
176 HD21 ASN 33 HD21 ASN 33 -3.331 -0.844 -8.973
177 HD22 ASN 33 HD22 ASN 33 -4.404 -2.217 -9.038
178 H THR 34 HN THR 34 -0.585 0.962 -10.198
179 HA THR 34 HA THR 34 1.140 1.809 -12.443
180 HB THR 34 HB THR 34 -0.418 3.682 -10.669
181 HG1 THR 34 HG1 THR 34 -1.645 1.890 -11.918
182 HG21 THR 34 HG21 THR 34 -0.327 5.143 -12.627
183 HG22 THR 34 HG22 THR 34 0.509 3.891 -13.541
184 HG23 THR 34 HG23 THR 34 1.298 4.646 -12.156
185 H LYS 35 HN LYS 35 1.344 0.815 -9.389
186 HA LYS 35 HA LYS 35 2.861 0.921 -7.732
187 HB2 LYS 35 HB2 LYS 35 4.489 0.999 -9.679
188 HB3 LYS 35 HB1 LYS 35 4.534 2.738 -9.467
189 HG2 LYS 35 HG2 LYS 35 5.153 0.935 -7.169
190 HG3 LYS 35 HG1 LYS 35 6.368 1.254 -8.404
191 HD2 LYS 35 HD2 LYS 35 4.940 3.375 -6.796
192 HD3 LYS 35 HD1 LYS 35 6.554 2.753 -6.445
193 HE2 LYS 35 HE2 LYS 35 5.722 4.149 -8.991
194 HE3 LYS 35 HE1 LYS 35 6.632 4.882 -7.671
195 HZ1 LYS 35 HZ1 LYS 35 8.384 3.210 -8.060
196 HZ2 LYS 35 HZ2 LYS 35 8.132 4.222 -9.393
197 HZ3 LYS 35 HZ3 LYS 35 7.526 2.638 -9.408
198 H THR 36 HN THR 36 1.547 1.926 -6.351
199 HA THR 36 HA THR 36 2.202 4.711 -5.723
200 HB THR 36 HB THR 36 -0.618 3.813 -5.342
201 HG1 THR 36 HG1 THR 36 -0.273 3.413 -7.573
202 HG21 THR 36 HG21 THR 36 0.109 5.914 -4.364
203 HG22 THR 36 HG22 THR 36 -1.062 6.213 -5.648
204 HG23 THR 36 HG23 THR 36 0.655 6.480 -5.942
205 H THR 37 HN THR 37 1.933 5.141 -3.425
206 HA THR 37 HA THR 37 1.497 2.747 -1.810
207 HB THR 37 HB THR 37 3.565 3.475 -0.443
208 HG1 THR 37 HG1 THR 37 5.109 4.594 -1.583
209 HG21 THR 37 HG21 THR 37 3.855 2.181 -3.153
210 HG22 THR 37 HG22 THR 37 3.403 1.369 -1.654
211 HG23 THR 37 HG23 THR 37 5.016 2.061 -1.831
212 H THR 38 HN THR 38 0.544 3.067 0.096
213 HA THR 38 HA THR 38 0.475 5.702 1.324
214 HB THR 38 HB THR 38 -1.397 5.670 -0.334
215 HG1 THR 38 HG1 THR 38 -1.503 6.382 2.213
216 HG21 THR 38 HG21 THR 38 -2.491 3.458 1.402
217 HG22 THR 38 HG22 THR 38 -1.925 3.290 -0.260
218 HG23 THR 38 HG23 THR 38 -3.352 4.266 0.092
219 H TRP 39 HN TRP 39 -0.129 5.577 3.587
220 HA TRP 39 HA TRP 39 0.087 2.874 4.709
221 HB2 TRP 39 HB2 TRP 39 -0.192 5.494 6.185
222 HB3 TRP 39 HB1 TRP 39 0.277 3.946 6.866
223 HD1 TRP 39 HD1 TRP 39 1.630 7.014 5.251
224 HE1 TRP 39 HE1 TRP 39 4.219 6.852 5.162
225 HE3 TRP 39 HE3 TRP 39 2.166 2.079 6.439
226 HZ2 TRP 39 HZ2 TRP 39 6.206 4.850 5.540
227 HZ3 TRP 39 HZ3 TRP 39 4.420 1.115 6.562
228 HH2 TRP 39 HH2 TRP 39 6.392 2.468 6.121
229 H GLU 40 HN GLU 40 -2.196 5.158 3.853
230 HA GLU 40 HA GLU 40 -4.082 4.349 5.923
231 HB2 GLU 40 HB2 GLU 40 -5.261 6.521 5.042
232 HB3 GLU 40 HB1 GLU 40 -3.882 6.626 6.130
233 HG2 GLU 40 HG2 GLU 40 -3.530 6.759 3.172
234 HG3 GLU 40 HG1 GLU 40 -3.956 8.186 4.109
235 H ASP 41 HN ASP 41 -5.894 3.399 5.474
236 HA ASP 41 HA ASP 41 -6.057 1.727 3.287
237 HB2 ASP 41 HB2 ASP 41 -8.430 2.591 4.939
238 HB3 ASP 41 HB1 ASP 41 -8.195 1.049 4.127
239 HA PRO 42 HA PRO 42 -7.749 4.358 0.098
240 HB2 PRO 42 HB2 PRO 42 -8.345 2.412 -1.693
241 HB3 PRO 42 HB1 PRO 42 -6.690 2.966 -1.404
242 HG2 PRO 42 HG2 PRO 42 -8.102 0.567 -0.282
243 HG3 PRO 42 HG1 PRO 42 -6.475 0.676 -0.979
244 HD2 PRO 42 HD2 PRO 42 -6.874 0.677 1.684
245 HD3 PRO 42 HD1 PRO 42 -5.586 1.648 0.939
246 H ARG 43 HN ARG 43 -9.385 2.000 1.898
247 HA ARG 43 HA ARG 43 -11.947 2.232 0.627
248 HB2 ARG 43 HB2 ARG 43 -11.394 0.206 1.827
249 HB3 ARG 43 HB1 ARG 43 -11.090 1.115 3.300
250 HG2 ARG 43 HG2 ARG 43 -13.214 -0.049 3.375
251 HG3 ARG 43 HG1 ARG 43 -13.437 1.691 3.461
252 HD2 ARG 43 HD2 ARG 43 -15.082 0.590 1.981
253 HD3 ARG 43 HD1 ARG 43 -14.088 1.777 1.142
254 HE ARG 43 HE ARG 43 -13.417 -1.082 0.986
255 HH11 ARG 43 HH11 ARG 43 -14.371 1.914 -0.538
256 HH12 ARG 43 HH12 ARG 43 -14.131 1.332 -2.159
257 HH21 ARG 43 HH21 ARG 43 -13.126 -1.883 -1.158
258 HH22 ARG 43 HH22 ARG 43 -13.451 -0.834 -2.510
259 H LEU 44 HN LEU 44 -10.177 3.903 3.053
260 HA LEU 44 HA LEU 44 -12.334 5.386 4.136
261 HB2 LEU 44 HB2 LEU 44 -9.405 6.084 4.078
262 HB3 LEU 44 HB1 LEU 44 -10.611 6.877 5.069
263 HG LEU 44 HG LEU 44 -9.756 3.994 5.319
264 HD11 LEU 44 HD11 LEU 44 -8.035 5.538 6.061
265 HD12 LEU 44 HD12 LEU 44 -8.771 4.721 7.439
266 HD13 LEU 44 HD13 LEU 44 -9.209 6.388 7.064
267 HD21 LEU 44 HD21 LEU 44 -12.095 4.292 5.917
268 HD22 LEU 44 HD22 LEU 44 -11.663 5.630 6.983
269 HD23 LEU 44 HD23 LEU 44 -11.116 3.995 7.352
270 H LYS 45 HN LYS 45 -10.923 5.410 1.216
271 HA LYS 45 HA LYS 45 -11.456 8.223 0.639
272 HB2 LYS 45 HB2 LYS 45 -10.130 6.023 -0.940
273 HB3 LYS 45 HB1 LYS 45 -10.564 7.561 -1.667
274 HG2 LYS 45 HG2 LYS 45 -8.739 7.254 0.706
275 HG3 LYS 45 HG1 LYS 45 -8.198 7.422 -0.965
276 HD2 LYS 45 HD2 LYS 45 -9.422 9.589 -1.072
277 HD3 LYS 45 HD1 LYS 45 -9.775 9.424 0.649
278 HE2 LYS 45 HE2 LYS 45 -7.013 9.513 -0.556
279 HE3 LYS 45 HE1 LYS 45 -7.835 10.882 0.187
280 HZ1 LYS 45 HZ1 LYS 45 -7.902 9.669 2.275
281 HZ2 LYS 45 HZ2 LYS 45 -6.307 9.839 1.729
282 HZ3 LYS 45 HZ3 LYS 45 -7.102 8.356 1.563
283 H GLN 112 H GLN 112 8.159 6.443 8.405
284 HA GLN 112 HA GLN 112 7.171 7.806 6.668
285 HB2 GLN 112 HB2 GLN 112 10.185 8.028 6.824
286 HB3 GLN 112 HB1 GLN 112 9.085 9.309 6.335
287 HG2 GLN 112 HG2 GLN 112 9.091 8.001 9.043
288 HG3 GLN 112 HG1 GLN 112 9.894 9.522 8.657
289 HE21 GLN 112 HE21 GLN 112 7.801 10.425 6.867
290 HE22 GLN 112 HE22 GLN 112 6.472 10.890 7.874
291 H ILE 113 HN ILE 113 6.659 7.938 4.587
292 HA ILE 113 HA ILE 113 6.653 7.629 2.335
293 HB ILE 113 HB ILE 113 9.587 6.948 2.638
294 HG12 ILE 113 HG12 ILE 113 8.231 9.530 1.817
295 HG13 ILE 113 HG11 ILE 113 9.049 9.240 3.349
296 HG21 ILE 113 HG21 ILE 113 8.668 6.015 0.587
297 HG22 ILE 113 HG22 ILE 113 9.729 7.375 0.220
298 HG23 ILE 113 HG23 ILE 113 7.979 7.582 0.163
299 HD11 ILE 113 HD11 ILE 113 10.347 9.227 0.636
300 HD12 ILE 113 HD12 ILE 113 11.159 8.956 2.177
301 HD13 ILE 113 HD13 ILE 113 10.437 10.525 1.827
302 HA PRO 114 HA PRO 114 5.892 3.181 2.740
303 HB2 PRO 114 HB2 PRO 114 3.957 3.626 0.597
304 HB3 PRO 114 HB1 PRO 114 3.685 3.056 2.245
305 HG2 PRO 114 HG2 PRO 114 2.885 5.495 1.374
306 HG3 PRO 114 HG1 PRO 114 3.330 5.162 3.058
307 HD2 PRO 114 HD2 PRO 114 4.904 6.516 0.908
308 HD3 PRO 114 HD1 PRO 114 4.800 6.881 2.644
309 HA PRO 115 HA PRO 115 8.398 2.244 -0.858
310 HB2 PRO 115 HB2 PRO 115 9.082 -0.239 -0.131
311 HB3 PRO 115 HB1 PRO 115 9.730 1.173 0.700
312 HG2 PRO 115 HG2 PRO 115 7.533 -0.662 1.540
313 HG3 PRO 115 HG1 PRO 115 8.835 0.047 2.512
314 HD2 PRO 115 HD2 PRO 115 6.259 1.027 2.399
315 HD3 PRO 115 HD1 PRO 115 7.679 1.988 2.848
316 HA PRO 116 HA PRO 116 5.466 0.298 -3.645
317 HB2 PRO 116 HB2 PRO 116 7.585 -0.591 -5.294
318 HB3 PRO 116 HB1 PRO 116 6.644 0.896 -5.487
319 HG2 PRO 116 HG2 PRO 116 9.219 0.452 -4.045
320 HG3 PRO 116 HG1 PRO 116 8.740 1.793 -5.121
321 HD2 PRO 116 HD2 PRO 116 8.579 2.219 -2.623
322 HD3 PRO 116 HD1 PRO 116 7.154 2.561 -3.572
323 H TYR 117 HN TYR 117 5.687 -1.288 -4.934
324 HA TYR 117 HA TYR 117 5.431 -3.755 -3.476
325 HB2 TYR 117 HB2 TYR 117 4.434 -4.720 -5.416
326 HB3 TYR 117 HB1 TYR 117 3.847 -3.071 -5.287
327 HD1 TYR 117 HD1 TYR 117 4.789 -1.315 -6.869
328 HD2 TYR 117 HD2 TYR 117 5.543 -5.484 -7.328
329 HE1 TYR 117 HE1 TYR 117 5.416 -0.944 -9.215
330 HE2 TYR 117 HE2 TYR 117 6.181 -5.121 -9.670
331 HH TYR 117 HH TYR 117 6.869 -2.127 -10.957
332 H VAL 118 HN VAL 118 7.035 -5.149 -3.076
333 HA VAL 118 HA VAL 118 9.475 -5.109 -4.599
334 HB VAL 118 HB VAL 118 9.450 -5.514 -2.145
335 HG11 VAL 118 HG11 VAL 118 8.799 -7.715 -1.285
336 HG12 VAL 118 HG12 VAL 118 8.188 -8.150 -2.882
337 HG13 VAL 118 HG13 VAL 118 7.432 -6.840 -1.975
338 HG21 VAL 118 HG21 VAL 118 10.607 -7.750 -3.803
339 HG22 VAL 118 HG22 VAL 118 11.057 -7.382 -2.139
340 HG23 VAL 118 HG23 VAL 118 11.378 -6.211 -3.416
341 H GLU 119 HN GLU 119 6.484 -6.602 -4.835
342 HA GLU 119 HA GLU 119 7.386 -8.275 -7.021
343 HB2 GLU 119 HB2 GLU 119 6.116 -10.237 -6.141
344 HB3 GLU 119 HB1 GLU 119 7.530 -9.825 -5.181
345 HG2 GLU 119 HG2 GLU 119 6.132 -8.739 -3.529
346 HG3 GLU 119 HG1 GLU 119 4.696 -9.063 -4.498
347 HA PRO 120 HA PRO 120 3.629 -6.586 -8.706
348 HB2 PRO 120 HB2 PRO 120 3.315 -8.455 -10.702
349 HB3 PRO 120 HB1 PRO 120 4.367 -7.042 -10.810
350 HG2 PRO 120 HG2 PRO 120 5.056 -9.875 -10.150
351 HG3 PRO 120 HG1 PRO 120 5.938 -8.712 -11.159
352 HD2 PRO 120 HD2 PRO 120 6.703 -9.270 -8.645
353 HD3 PRO 120 HD1 PRO 120 6.862 -7.637 -9.327
Start of MODEL 13
1 H PHE 12 H PHE 12 -11.890 -5.568 0.844
2 HA PHE 12 HA PHE 12 -13.544 -5.796 -1.597
3 HB2 PHE 12 HB2 PHE 12 -15.078 -4.248 -0.600
4 HB3 PHE 12 HB1 PHE 12 -14.832 -5.558 0.543
5 HD1 PHE 12 HD2 PHE 12 -13.190 -5.148 2.473
6 HD2 PHE 12 HD1 PHE 12 -14.772 -2.040 0.032
7 HE1 PHE 12 HE2 PHE 12 -12.657 -3.504 4.222
8 HE2 PHE 12 HE1 PHE 12 -14.242 -0.393 1.778
9 HZ PHE 12 HZ PHE 12 -13.184 -1.126 3.876
10 H LEU 13 HN LEU 13 -10.657 -4.893 -0.733
11 HA LEU 13 HA LEU 13 -10.635 -2.120 -1.515
12 HB2 LEU 13 HB2 LEU 13 -8.567 -4.145 -0.764
13 HB3 LEU 13 HB1 LEU 13 -8.064 -2.718 -1.646
14 HG LEU 13 HG LEU 13 -9.016 -1.305 0.150
15 HD11 LEU 13 HD11 LEU 13 -9.608 -2.311 2.292
16 HD12 LEU 13 HD12 LEU 13 -9.408 -3.921 1.600
17 HD13 LEU 13 HD13 LEU 13 -10.690 -2.862 1.013
18 HD21 LEU 13 HD21 LEU 13 -6.655 -1.854 0.134
19 HD22 LEU 13 HD22 LEU 13 -6.974 -3.336 1.034
20 HD23 LEU 13 HD23 LEU 13 -7.258 -1.766 1.789
21 HA PRO 14 HA PRO 14 -10.221 -2.326 -5.924
22 HB2 PRO 14 HB2 PRO 14 -7.852 -0.644 -5.252
23 HB3 PRO 14 HB1 PRO 14 -8.991 -0.481 -6.596
24 HG2 PRO 14 HG2 PRO 14 -9.354 0.973 -4.592
25 HG3 PRO 14 HG1 PRO 14 -10.755 0.062 -5.121
26 HD2 PRO 14 HD2 PRO 14 -8.901 -0.505 -2.807
27 HD3 PRO 14 HD1 PRO 14 -10.679 -0.585 -2.855
28 H LYS 15 HN LYS 15 -9.070 -2.968 -7.474
29 HA LYS 15 HA LYS 15 -7.609 -5.372 -6.921
30 HB2 LYS 15 HB2 LYS 15 -8.136 -3.983 -9.556
31 HB3 LYS 15 HB1 LYS 15 -7.366 -5.555 -9.404
32 HG2 LYS 15 HG2 LYS 15 -9.600 -5.999 -9.943
33 HG3 LYS 15 HG1 LYS 15 -9.475 -6.308 -8.208
34 HD2 LYS 15 HD2 LYS 15 -10.493 -4.225 -7.684
35 HD3 LYS 15 HD1 LYS 15 -10.394 -3.692 -9.359
36 HE2 LYS 15 HE2 LYS 15 -11.941 -5.578 -9.951
37 HE3 LYS 15 HE1 LYS 15 -12.139 -5.869 -8.223
38 HZ1 LYS 15 HZ1 LYS 15 -12.945 -3.572 -7.999
39 HZ2 LYS 15 HZ2 LYS 15 -13.924 -4.496 -9.028
40 HZ3 LYS 15 HZ3 LYS 15 -12.831 -3.375 -9.680
41 H GLY 16 HN GLY 16 -5.515 -5.806 -7.058
42 HA2 GLY 16 HA2 GLY 16 -3.242 -5.502 -7.354
43 HA3 GLY 16 HA1 GLY 16 -3.568 -4.022 -8.237
44 H TRP 17 HN TRP 17 -5.242 -3.682 -5.441
45 HA TRP 17 HA TRP 17 -3.079 -2.180 -4.202
46 HB2 TRP 17 HB2 TRP 17 -6.050 -2.307 -3.664
47 HB3 TRP 17 HB1 TRP 17 -4.935 -1.507 -2.564
48 HD1 TRP 17 HD1 TRP 17 -6.066 -1.249 -6.271
49 HE1 TRP 17 HE1 TRP 17 -5.845 1.215 -6.980
50 HE3 TRP 17 HE3 TRP 17 -3.939 0.642 -2.018
51 HZ2 TRP 17 HZ2 TRP 17 -4.889 3.639 -5.887
52 HZ3 TRP 17 HZ3 TRP 17 -3.402 3.040 -1.933
53 HH2 TRP 17 HH2 TRP 17 -3.867 4.507 -3.829
54 H GLU 18 HN GLU 18 -1.752 -3.337 -3.076
55 HA GLU 18 HA GLU 18 -2.693 -5.712 -1.665
56 HB2 GLU 18 HB2 GLU 18 -0.019 -4.756 -2.597
57 HB3 GLU 18 HB1 GLU 18 -0.130 -6.000 -1.366
58 HG2 GLU 18 HG2 GLU 18 -0.983 -6.093 -4.222
59 HG3 GLU 18 HG1 GLU 18 0.077 -7.174 -3.324
60 H VAL 19 HN VAL 19 -2.297 -6.104 0.436
61 HA VAL 19 HA VAL 19 -1.594 -3.768 2.094
62 HB VAL 19 HB VAL 19 -3.411 -5.997 2.996
63 HG11 VAL 19 HG11 VAL 19 -2.378 -4.688 4.753
64 HG12 VAL 19 HG12 VAL 19 -4.114 -4.379 4.681
65 HG13 VAL 19 HG13 VAL 19 -2.980 -3.202 4.020
66 HG21 VAL 19 HG21 VAL 19 -4.241 -3.374 1.772
67 HG22 VAL 19 HG22 VAL 19 -5.320 -4.540 2.532
68 HG23 VAL 19 HG23 VAL 19 -4.457 -4.968 1.054
69 H ARG 20 HN ARG 20 0.597 -4.347 2.328
70 HA ARG 20 HA ARG 20 1.074 -6.956 3.601
71 HB2 ARG 20 HB2 ARG 20 2.371 -6.364 1.489
72 HB3 ARG 20 HB1 ARG 20 3.182 -5.127 2.449
73 HG2 ARG 20 HG2 ARG 20 3.589 -7.188 4.070
74 HG3 ARG 20 HG1 ARG 20 3.435 -8.076 2.556
75 HD2 ARG 20 HD2 ARG 20 5.288 -5.738 2.928
76 HD3 ARG 20 HD1 ARG 20 5.772 -7.403 3.222
77 HE ARG 20 HE ARG 20 4.901 -6.401 0.585
78 HH11 ARG 20 HH11 ARG 20 6.871 -8.480 2.598
79 HH12 ARG 20 HH12 ARG 20 7.815 -9.091 1.267
80 HH21 ARG 20 HH21 ARG 20 6.167 -7.201 -1.184
81 HH22 ARG 20 HH22 ARG 20 7.413 -8.369 -0.854
82 H HIS 21 HN HIS 21 1.800 -7.067 5.646
83 HA HIS 21 HA HIS 21 2.158 -4.570 7.134
84 HB2 HIS 21 HB2 HIS 21 0.987 -6.989 7.779
85 HB3 HIS 21 HB1 HIS 21 2.566 -7.123 8.539
86 HD1 HIS 21 HD1 HIS 21 1.573 -7.179 10.832
87 HD2 HIS 21 HD2 HIS 21 0.715 -3.589 8.795
88 HE1 HIS 21 HE1 HIS 21 0.533 -5.647 12.533
89 HE2 HIS 21 HE2 HIS 21 0.044 -3.509 11.301
90 H ALA 22 HN ALA 22 4.158 -3.741 6.947
91 HA ALA 22 HA ALA 22 6.456 -5.188 6.194
92 HB1 ALA 22 HB1 ALA 22 6.198 -2.786 5.812
93 HB2 ALA 22 HB2 ALA 22 7.676 -3.131 6.714
94 HB3 ALA 22 HB3 ALA 22 6.259 -2.498 7.552
95 HA PRO 23 HA PRO 23 8.139 -6.981 9.846
96 HB2 PRO 23 HB2 PRO 23 10.670 -5.871 10.055
97 HB3 PRO 23 HB1 PRO 23 10.238 -7.243 9.029
98 HG2 PRO 23 HG2 PRO 23 10.519 -4.355 8.315
99 HG3 PRO 23 HG1 PRO 23 11.019 -5.789 7.400
100 HD2 PRO 23 HD2 PRO 23 8.809 -4.433 6.749
101 HD3 PRO 23 HD1 PRO 23 8.861 -6.205 6.640
102 H ASN 24 HN ASN 24 7.993 -3.539 9.695
103 HA ASN 24 HA ASN 24 8.638 -3.125 12.478
104 HB2 ASN 24 HB2 ASN 24 8.145 -0.793 12.101
105 HB3 ASN 24 HB1 ASN 24 9.115 -1.374 10.755
106 HD21 ASN 24 HD21 ASN 24 7.414 0.934 10.834
107 HD22 ASN 24 HD22 ASN 24 6.212 0.711 9.614
108 H GLY 25 HN GLY 25 6.077 -4.233 10.699
109 HA2 GLY 25 HA2 GLY 25 4.066 -5.049 11.490
110 HA3 GLY 25 HA1 GLY 25 4.322 -4.176 12.977
111 H ARG 26 HN ARG 26 4.438 -2.829 9.744
112 HA ARG 26 HA ARG 26 1.861 -1.498 10.241
113 HB2 ARG 26 HB2 ARG 26 4.383 -0.319 9.065
114 HB3 ARG 26 HB1 ARG 26 2.801 0.424 8.867
115 HG2 ARG 26 HG2 ARG 26 4.149 -0.133 11.499
116 HG3 ARG 26 HG1 ARG 26 4.066 1.437 10.694
117 HD2 ARG 26 HD2 ARG 26 1.663 1.454 10.878
118 HD3 ARG 26 HD1 ARG 26 1.665 -0.181 11.537
119 HE ARG 26 HE ARG 26 3.134 1.031 13.356
120 HH11 ARG 26 HH11 ARG 26 0.224 2.158 11.763
121 HH12 ARG 26 HH12 ARG 26 -0.324 3.084 13.128
122 HH21 ARG 26 HH21 ARG 26 2.431 2.250 15.158
123 HH22 ARG 26 HH22 ARG 26 0.928 3.131 15.072
124 HA PRO 27 HA PRO 27 1.065 -3.225 6.211
125 HB2 PRO 27 HB2 PRO 27 -1.536 -2.556 6.033
126 HB3 PRO 27 HB1 PRO 27 -0.993 -3.827 7.125
127 HG2 PRO 27 HG2 PRO 27 -1.808 -1.035 7.728
128 HG3 PRO 27 HG1 PRO 27 -2.010 -2.500 8.702
129 HD2 PRO 27 HD2 PRO 27 -0.013 -0.614 9.028
130 HD3 PRO 27 HD1 PRO 27 -0.023 -2.157 9.760
131 H PHE 28 HN PHE 28 2.103 -2.075 4.747
132 HA PHE 28 HA PHE 28 1.109 0.560 3.994
133 HB2 PHE 28 HB2 PHE 28 3.174 0.723 2.616
134 HB3 PHE 28 HB1 PHE 28 3.505 0.489 4.320
135 HD1 PHE 28 HD2 PHE 28 3.474 -2.322 4.782
136 HD2 PHE 28 HD1 PHE 28 4.810 -0.238 1.313
137 HE1 PHE 28 HE2 PHE 28 4.972 -4.185 4.239
138 HE2 PHE 28 HE1 PHE 28 6.302 -2.112 0.770
139 HZ PHE 28 HZ PHE 28 6.388 -4.085 2.232
140 H PHE 29 HN PHE 29 -0.108 0.830 2.298
141 HA PHE 29 HA PHE 29 -0.897 -1.551 0.830
142 HB2 PHE 29 HB2 PHE 29 -2.105 1.229 0.777
143 HB3 PHE 29 HB1 PHE 29 -2.787 -0.229 0.058
144 HD1 PHE 29 HD2 PHE 29 -1.675 1.076 3.381
145 HD2 PHE 29 HD1 PHE 29 -4.357 -1.402 1.203
146 HE1 PHE 29 HE2 PHE 29 -2.893 0.574 5.458
147 HE2 PHE 29 HE1 PHE 29 -5.579 -1.906 3.273
148 HZ PHE 29 HZ PHE 29 -4.845 -0.929 5.402
149 H ILE 30 HN ILE 30 -0.069 -1.991 -1.044
150 HA ILE 30 HA ILE 30 1.292 0.153 -2.515
151 HB ILE 30 HB ILE 30 1.620 -2.800 -3.028
152 HG12 ILE 30 HG12 ILE 30 3.398 -1.082 -1.328
153 HG13 ILE 30 HG11 ILE 30 2.205 -2.177 -0.650
154 HG21 ILE 30 HG21 ILE 30 3.732 -2.064 -4.046
155 HG22 ILE 30 HG22 ILE 30 3.332 -0.391 -3.651
156 HG23 ILE 30 HG23 ILE 30 2.338 -1.287 -4.799
157 HD11 ILE 30 HD11 ILE 30 4.562 -2.942 -2.359
158 HD12 ILE 30 HD12 ILE 30 3.360 -4.055 -1.705
159 HD13 ILE 30 HD13 ILE 30 4.417 -3.161 -0.614
160 H ASP 31 HN ASP 31 0.674 0.710 -4.452
161 HA ASP 31 HA ASP 31 -1.536 -0.683 -5.748
162 HB2 ASP 31 HB2 ASP 31 -1.863 1.619 -5.965
163 HB3 ASP 31 HB1 ASP 31 -0.149 1.939 -6.213
164 H HIS 32 HN HIS 32 -1.152 -2.268 -7.031
165 HA HIS 32 HA HIS 32 1.531 -2.615 -8.163
166 HB2 HIS 32 HB2 HIS 32 -0.684 -4.565 -7.506
167 HB3 HIS 32 HB1 HIS 32 0.736 -5.026 -8.421
168 HD1 HIS 32 HD1 HIS 32 2.136 -6.408 -6.849
169 HD2 HIS 32 HD2 HIS 32 0.601 -3.009 -4.998
170 HE1 HIS 32 HE1 HIS 32 3.020 -6.421 -4.471
171 HE2 HIS 32 HE2 HIS 32 1.925 -4.485 -3.356
172 H ASN 33 HN ASN 33 -1.256 -1.306 -9.123
173 HA ASN 33 HA ASN 33 -1.550 -2.634 -11.694
174 HB2 ASN 33 HB2 ASN 33 -2.799 -0.017 -10.820
175 HB3 ASN 33 HB1 ASN 33 -3.309 -1.046 -12.152
176 HD21 ASN 33 HD21 ASN 33 -3.279 -0.570 -8.730
177 HD22 ASN 33 HD22 ASN 33 -4.488 -1.776 -8.354
178 H THR 34 HN THR 34 -0.065 0.167 -10.308
179 HA THR 34 HA THR 34 1.325 0.656 -12.835
180 HB THR 34 HB THR 34 0.066 2.824 -11.130
181 HG1 THR 34 HG1 THR 34 -0.899 1.348 -13.152
182 HG21 THR 34 HG21 THR 34 1.624 3.023 -13.709
183 HG22 THR 34 HG22 THR 34 2.185 3.539 -12.118
184 HG23 THR 34 HG23 THR 34 0.822 4.358 -12.882
185 H LYS 35 HN LYS 35 1.189 2.259 -9.676
186 HA LYS 35 HA LYS 35 3.024 1.066 -8.187
187 HB2 LYS 35 HB2 LYS 35 5.181 2.131 -8.457
188 HB3 LYS 35 HB1 LYS 35 4.742 1.261 -9.915
189 HG2 LYS 35 HG2 LYS 35 4.316 3.257 -11.095
190 HG3 LYS 35 HG1 LYS 35 4.355 4.223 -9.611
191 HD2 LYS 35 HD2 LYS 35 6.454 4.551 -10.656
192 HD3 LYS 35 HD1 LYS 35 6.706 3.433 -9.303
193 HE2 LYS 35 HE2 LYS 35 6.673 1.544 -10.829
194 HE3 LYS 35 HE1 LYS 35 6.341 2.615 -12.187
195 HZ1 LYS 35 HZ1 LYS 35 8.822 2.514 -10.559
196 HZ2 LYS 35 HZ2 LYS 35 8.503 3.700 -11.728
197 HZ3 LYS 35 HZ3 LYS 35 8.643 2.070 -12.187
198 H THR 36 HN THR 36 2.148 1.851 -6.508
199 HA THR 36 HA THR 36 2.474 4.642 -5.796
200 HB THR 36 HB THR 36 -0.278 3.575 -5.376
201 HG1 THR 36 HG1 THR 36 -0.043 3.426 -7.641
202 HG21 THR 36 HG21 THR 36 -0.850 5.959 -5.394
203 HG22 THR 36 HG22 THR 36 0.831 6.353 -5.756
204 HG23 THR 36 HG23 THR 36 0.412 5.602 -4.216
205 H THR 37 HN THR 37 2.290 4.974 -3.520
206 HA THR 37 HA THR 37 1.830 2.593 -1.911
207 HB THR 37 HB THR 37 3.937 3.409 -0.539
208 HG1 THR 37 HG1 THR 37 5.504 4.300 -1.795
209 HG21 THR 37 HG21 THR 37 3.608 1.166 -1.435
210 HG22 THR 37 HG22 THR 37 5.262 1.709 -1.711
211 HG23 THR 37 HG23 THR 37 4.098 1.719 -3.037
212 H THR 38 HN THR 38 0.790 2.975 -0.066
213 HA THR 38 HA THR 38 0.856 5.603 1.174
214 HB THR 38 HB THR 38 -0.948 5.835 -0.465
215 HG1 THR 38 HG1 THR 38 -2.722 6.097 1.212
216 HG21 THR 38 HG21 THR 38 -2.209 3.466 0.921
217 HG22 THR 38 HG22 THR 38 -1.556 3.483 -0.718
218 HG23 THR 38 HG23 THR 38 -2.970 4.457 -0.324
219 H TRP 39 HN TRP 39 0.149 5.558 3.374
220 HA TRP 39 HA TRP 39 0.123 2.874 4.534
221 HB2 TRP 39 HB2 TRP 39 0.084 5.524 5.985
222 HB3 TRP 39 HB1 TRP 39 0.407 3.943 6.679
223 HD1 TRP 39 HD1 TRP 39 2.031 6.798 4.873
224 HE1 TRP 39 HE1 TRP 39 4.584 6.392 4.759
225 HE3 TRP 39 HE3 TRP 39 2.143 1.959 6.500
226 HZ2 TRP 39 HZ2 TRP 39 6.392 4.277 5.310
227 HZ3 TRP 39 HZ3 TRP 39 4.311 0.814 6.685
228 HH2 TRP 39 HH2 TRP 39 6.390 1.949 6.103
229 H GLU 40 HN GLU 40 -2.067 5.152 3.472
230 HA GLU 40 HA GLU 40 -3.973 4.585 5.605
231 HB2 GLU 40 HB2 GLU 40 -5.216 6.549 4.785
232 HB3 GLU 40 HB1 GLU 40 -3.560 6.922 5.257
233 HG2 GLU 40 HG2 GLU 40 -4.027 8.165 3.324
234 HG3 GLU 40 HG1 GLU 40 -2.940 6.868 2.845
235 H ASP 41 HN ASP 41 -6.270 4.352 4.930
236 HA ASP 41 HA ASP 41 -6.236 2.149 3.028
237 HB2 ASP 41 HB2 ASP 41 -8.314 2.962 5.072
238 HB3 ASP 41 HB1 ASP 41 -8.431 1.558 4.019
239 HA PRO 42 HA PRO 42 -8.309 4.569 -0.116
240 HB2 PRO 42 HB2 PRO 42 -9.015 2.375 -1.628
241 HB3 PRO 42 HB1 PRO 42 -7.447 3.186 -1.720
242 HG2 PRO 42 HG2 PRO 42 -8.221 0.714 -0.223
243 HG3 PRO 42 HG1 PRO 42 -6.746 1.049 -1.150
244 HD2 PRO 42 HD2 PRO 42 -6.768 1.169 1.529
245 HD3 PRO 42 HD1 PRO 42 -5.811 2.314 0.563
246 H ARG 43 HN ARG 43 -9.606 2.323 2.055
247 HA ARG 43 HA ARG 43 -12.215 1.906 1.099
248 HB2 ARG 43 HB2 ARG 43 -11.686 2.182 4.036
249 HB3 ARG 43 HB1 ARG 43 -12.719 1.037 3.196
250 HG2 ARG 43 HG2 ARG 43 -10.797 -0.205 2.436
251 HG3 ARG 43 HG1 ARG 43 -9.710 0.990 3.152
252 HD2 ARG 43 HD2 ARG 43 -10.925 0.456 5.357
253 HD3 ARG 43 HD1 ARG 43 -11.510 -0.982 4.519
254 HE ARG 43 HE ARG 43 -8.626 -0.455 4.598
255 HH11 ARG 43 HH11 ARG 43 -11.347 -2.378 5.696
256 HH12 ARG 43 HH12 ARG 43 -10.344 -3.661 6.292
257 HH21 ARG 43 HH21 ARG 43 -7.328 -2.118 5.388
258 HH22 ARG 43 HH22 ARG 43 -8.055 -3.530 6.103
259 H LEU 44 HN LEU 44 -10.717 4.632 2.607
260 HA LEU 44 HA LEU 44 -13.177 5.859 3.435
261 HB2 LEU 44 HB2 LEU 44 -10.427 7.073 3.244
262 HB3 LEU 44 HB1 LEU 44 -11.798 7.747 4.103
263 HG LEU 44 HG LEU 44 -10.374 5.183 4.823
264 HD11 LEU 44 HD11 LEU 44 -9.011 7.145 5.271
265 HD12 LEU 44 HD12 LEU 44 -9.594 6.434 6.776
266 HD13 LEU 44 HD13 LEU 44 -10.351 7.895 6.141
267 HD21 LEU 44 HD21 LEU 44 -12.744 5.114 5.399
268 HD22 LEU 44 HD22 LEU 44 -12.595 6.658 6.236
269 HD23 LEU 44 HD23 LEU 44 -11.744 5.239 6.846
270 H LYS 45 HN LYS 45 -11.724 5.453 0.574
271 HA LYS 45 HA LYS 45 -12.701 7.993 -0.543
272 HB2 LYS 45 HB2 LYS 45 -10.342 6.313 -1.421
273 HB3 LYS 45 HB1 LYS 45 -10.921 7.747 -2.259
274 HG2 LYS 45 HG2 LYS 45 -10.358 9.146 -0.409
275 HG3 LYS 45 HG1 LYS 45 -9.984 7.749 0.601
276 HD2 LYS 45 HD2 LYS 45 -8.094 7.197 -0.816
277 HD3 LYS 45 HD1 LYS 45 -8.506 8.516 -1.915
278 HE2 LYS 45 HE2 LYS 45 -6.674 9.139 -0.424
279 HE3 LYS 45 HE1 LYS 45 -8.098 10.137 -0.148
280 HZ1 LYS 45 HZ1 LYS 45 -8.634 8.715 1.764
281 HZ2 LYS 45 HZ2 LYS 45 -7.144 9.493 1.935
282 HZ3 LYS 45 HZ3 LYS 45 -7.190 7.849 1.525
283 H GLN 112 H GLN 112 7.928 9.896 6.059
284 HA GLN 112 HA GLN 112 8.295 7.634 6.601
285 HB2 GLN 112 HB2 GLN 112 6.356 6.152 7.138
286 HB3 GLN 112 HB1 GLN 112 6.752 7.301 8.403
287 HG2 GLN 112 HG2 GLN 112 4.665 8.064 6.440
288 HG3 GLN 112 HG1 GLN 112 4.268 6.836 7.638
289 HE21 GLN 112 HE21 GLN 112 2.755 8.172 8.599
290 HE22 GLN 112 HE22 GLN 112 3.210 9.523 9.586
291 H ILE 113 HN ILE 113 8.791 7.016 4.625
292 HA ILE 113 HA ILE 113 6.829 7.327 2.475
293 HB ILE 113 HB ILE 113 9.770 6.660 2.335
294 HG12 ILE 113 HG12 ILE 113 8.262 9.190 1.630
295 HG13 ILE 113 HG11 ILE 113 9.292 8.973 3.040
296 HG21 ILE 113 HG21 ILE 113 9.533 6.999 -0.089
297 HG22 ILE 113 HG22 ILE 113 7.792 7.191 0.115
298 HG23 ILE 113 HG23 ILE 113 8.557 5.645 0.483
299 HD11 ILE 113 HD11 ILE 113 10.431 10.215 1.297
300 HD12 ILE 113 HD12 ILE 113 10.185 8.878 0.171
301 HD13 ILE 113 HD13 ILE 113 11.220 8.664 1.582
302 HA PRO 114 HA PRO 114 6.122 2.877 2.877
303 HB2 PRO 114 HB2 PRO 114 4.306 3.092 0.638
304 HB3 PRO 114 HB1 PRO 114 3.943 2.741 2.327
305 HG2 PRO 114 HG2 PRO 114 3.259 5.065 1.031
306 HG3 PRO 114 HG1 PRO 114 3.427 4.900 2.786
307 HD2 PRO 114 HD2 PRO 114 5.269 6.137 0.813
308 HD3 PRO 114 HD1 PRO 114 4.981 6.536 2.519
309 HA PRO 115 HA PRO 115 8.921 1.665 -0.517
310 HB2 PRO 115 HB2 PRO 115 8.411 -0.968 0.744
311 HB3 PRO 115 HB1 PRO 115 9.941 -0.185 0.364
312 HG2 PRO 115 HG2 PRO 115 9.098 -0.373 2.880
313 HG3 PRO 115 HG1 PRO 115 9.935 1.080 2.301
314 HD2 PRO 115 HD2 PRO 115 7.016 0.636 2.774
315 HD3 PRO 115 HD1 PRO 115 8.017 2.063 3.117
316 HA PRO 116 HA PRO 116 5.723 0.218 -3.401
317 HB2 PRO 116 HB2 PRO 116 7.794 -0.544 -5.156
318 HB3 PRO 116 HB1 PRO 116 6.862 0.960 -5.209
319 HG2 PRO 116 HG2 PRO 116 9.466 0.387 -3.864
320 HG3 PRO 116 HG1 PRO 116 8.976 1.815 -4.816
321 HD2 PRO 116 HD2 PRO 116 8.863 2.035 -2.290
322 HD3 PRO 116 HD1 PRO 116 7.423 2.459 -3.179
323 H TYR 117 HN TYR 117 5.903 -1.274 -4.798
324 HA TYR 117 HA TYR 117 5.770 -3.871 -3.532
325 HB2 TYR 117 HB2 TYR 117 4.660 -4.681 -5.465
326 HB3 TYR 117 HB1 TYR 117 4.083 -3.041 -5.222
327 HD1 TYR 117 HD1 TYR 117 4.954 -1.210 -6.733
328 HD2 TYR 117 HD2 TYR 117 5.716 -5.333 -7.454
329 HE1 TYR 117 HE1 TYR 117 5.516 -0.694 -9.072
330 HE2 TYR 117 HE2 TYR 117 6.279 -4.833 -9.789
331 HH TYR 117 HH TYR 117 6.790 -1.651 -10.916
332 H VAL 118 HN VAL 118 7.286 -5.413 -3.522
333 HA VAL 118 HA VAL 118 9.519 -5.155 -5.424
334 HB VAL 118 HB VAL 118 10.074 -5.015 -2.974
335 HG11 VAL 118 HG11 VAL 118 8.450 -6.583 -2.101
336 HG12 VAL 118 HG12 VAL 118 10.081 -7.087 -1.659
337 HG13 VAL 118 HG13 VAL 118 9.229 -7.906 -2.968
338 HG21 VAL 118 HG21 VAL 118 11.990 -6.546 -3.084
339 HG22 VAL 118 HG22 VAL 118 11.774 -5.643 -4.583
340 HG23 VAL 118 HG23 VAL 118 11.270 -7.330 -4.488
341 H GLU 119 HN GLU 119 6.728 -6.743 -4.830
342 HA GLU 119 HA GLU 119 7.447 -9.388 -5.691
343 HB2 GLU 119 HB2 GLU 119 4.689 -8.155 -5.623
344 HB3 GLU 119 HB1 GLU 119 5.090 -9.863 -5.607
345 HG2 GLU 119 HG2 GLU 119 4.594 -9.548 -3.410
346 HG3 GLU 119 HG1 GLU 119 6.323 -9.213 -3.375
347 HA PRO 120 HA PRO 120 6.982 -8.073 -9.976
348 HB2 PRO 120 HB2 PRO 120 8.930 -9.648 -10.964
349 HB3 PRO 120 HB1 PRO 120 9.286 -8.157 -10.087
350 HG2 PRO 120 HG2 PRO 120 9.693 -10.939 -9.258
351 HG3 PRO 120 HG1 PRO 120 10.400 -9.457 -8.596
352 HD2 PRO 120 HD2 PRO 120 8.125 -10.993 -7.624
353 HD3 PRO 120 HD1 PRO 120 8.966 -9.635 -6.847
Start of MODEL 14
1 H PHE 12 H PHE 12 -11.730 -6.017 1.607
2 HA PHE 12 HA PHE 12 -12.229 -6.349 -0.695
3 HB2 PHE 12 HB2 PHE 12 -13.825 -4.896 -1.858
4 HB3 PHE 12 HB1 PHE 12 -14.625 -5.826 -0.600
5 HD1 PHE 12 HD1 PHE 12 -15.190 -4.673 1.576
6 HD2 PHE 12 HD2 PHE 12 -13.932 -2.561 -1.897
7 HE1 PHE 12 HE1 PHE 12 -16.135 -2.599 2.498
8 HE2 PHE 12 HE2 PHE 12 -14.872 -0.483 -0.979
9 HZ PHE 12 HZ PHE 12 -15.977 -0.500 1.222
10 H LEU 13 HN LEU 13 -10.423 -5.667 -1.537
11 HA LEU 13 HA LEU 13 -9.725 -2.808 -1.293
12 HB2 LEU 13 HB2 LEU 13 -8.018 -5.262 -1.153
13 HB3 LEU 13 HB1 LEU 13 -7.342 -3.804 -1.849
14 HG LEU 13 HG LEU 13 -6.683 -3.951 0.457
15 HD11 LEU 13 HD11 LEU 13 -7.132 -1.724 -0.400
16 HD12 LEU 13 HD12 LEU 13 -7.542 -1.831 1.311
17 HD13 LEU 13 HD13 LEU 13 -8.819 -1.857 0.095
18 HD21 LEU 13 HD21 LEU 13 -9.618 -4.076 1.122
19 HD22 LEU 13 HD22 LEU 13 -8.301 -3.936 2.284
20 HD23 LEU 13 HD23 LEU 13 -8.451 -5.388 1.295
21 HA PRO 14 HA PRO 14 -9.902 -2.481 -5.756
22 HB2 PRO 14 HB2 PRO 14 -7.572 -0.779 -5.002
23 HB3 PRO 14 HB1 PRO 14 -8.780 -0.512 -6.265
24 HG2 PRO 14 HG2 PRO 14 -9.113 0.671 -4.094
25 HG3 PRO 14 HG1 PRO 14 -10.491 -0.257 -4.644
26 HD2 PRO 14 HD2 PRO 14 -8.454 -0.978 -2.535
27 HD3 PRO 14 HD1 PRO 14 -10.227 -1.144 -2.470
28 H LYS 15 HN LYS 15 -8.826 -2.885 -7.434
29 HA LYS 15 HA LYS 15 -7.370 -5.322 -7.300
30 HB2 LYS 15 HB2 LYS 15 -8.864 -4.913 -9.142
31 HB3 LYS 15 HB1 LYS 15 -7.966 -3.478 -9.613
32 HG2 LYS 15 HG2 LYS 15 -6.148 -4.755 -10.410
33 HG3 LYS 15 HG1 LYS 15 -6.756 -6.227 -9.647
34 HD2 LYS 15 HD2 LYS 15 -7.146 -6.161 -12.095
35 HD3 LYS 15 HD1 LYS 15 -8.634 -6.297 -11.156
36 HE2 LYS 15 HE2 LYS 15 -8.873 -3.803 -11.365
37 HE3 LYS 15 HE1 LYS 15 -7.522 -3.837 -12.500
38 HZ1 LYS 15 HZ1 LYS 15 -10.040 -5.374 -12.848
39 HZ2 LYS 15 HZ2 LYS 15 -8.771 -5.228 -13.965
40 HZ3 LYS 15 HZ3 LYS 15 -9.719 -3.876 -13.582
41 H GLY 16 HN GLY 16 -5.273 -5.679 -7.090
42 HA2 GLY 16 HA2 GLY 16 -2.989 -5.425 -7.431
43 HA3 GLY 16 HA1 GLY 16 -3.278 -3.879 -8.208
44 H TRP 17 HN TRP 17 -5.000 -3.751 -5.418
45 HA TRP 17 HA TRP 17 -2.869 -2.290 -4.079
46 HB2 TRP 17 HB2 TRP 17 -5.833 -2.505 -3.596
47 HB3 TRP 17 HB1 TRP 17 -4.751 -1.738 -2.435
48 HD1 TRP 17 HD1 TRP 17 -5.850 -1.329 -6.136
49 HE1 TRP 17 HE1 TRP 17 -5.695 1.171 -6.721
50 HE3 TRP 17 HE3 TRP 17 -3.775 0.401 -1.791
51 HZ2 TRP 17 HZ2 TRP 17 -4.778 3.556 -5.518
52 HZ3 TRP 17 HZ3 TRP 17 -3.284 2.804 -1.595
53 HH2 TRP 17 HH2 TRP 17 -3.773 4.348 -3.420
54 H GLU 18 HN GLU 18 -1.638 -3.204 -2.650
55 HA GLU 18 HA GLU 18 -2.548 -5.695 -1.377
56 HB2 GLU 18 HB2 GLU 18 0.059 -4.804 -2.471
57 HB3 GLU 18 HB1 GLU 18 0.091 -5.833 -1.051
58 HG2 GLU 18 HG2 GLU 18 -1.220 -6.467 -3.680
59 HG3 GLU 18 HG1 GLU 18 0.279 -7.145 -3.052
60 H VAL 19 HN VAL 19 -2.062 -6.087 0.724
61 HA VAL 19 HA VAL 19 -1.342 -3.742 2.364
62 HB VAL 19 HB VAL 19 -2.996 -6.079 3.327
63 HG11 VAL 19 HG11 VAL 19 -3.588 -4.571 5.154
64 HG12 VAL 19 HG12 VAL 19 -2.573 -3.314 4.446
65 HG13 VAL 19 HG13 VAL 19 -1.840 -4.800 5.051
66 HG21 VAL 19 HG21 VAL 19 -4.004 -3.429 2.308
67 HG22 VAL 19 HG22 VAL 19 -4.981 -4.668 3.095
68 HG23 VAL 19 HG23 VAL 19 -4.230 -4.995 1.531
69 H ARG 20 HN ARG 20 0.738 -4.030 2.953
70 HA ARG 20 HA ARG 20 1.436 -6.686 4.004
71 HB2 ARG 20 HB2 ARG 20 2.571 -5.838 1.788
72 HB3 ARG 20 HB1 ARG 20 3.546 -4.883 2.901
73 HG2 ARG 20 HG2 ARG 20 4.795 -6.807 2.654
74 HG3 ARG 20 HG1 ARG 20 3.908 -7.116 4.138
75 HD2 ARG 20 HD2 ARG 20 3.863 -9.076 2.688
76 HD3 ARG 20 HD1 ARG 20 2.247 -8.402 2.894
77 HE ARG 20 HE ARG 20 3.900 -7.947 0.488
78 HH11 ARG 20 HH11 ARG 20 0.785 -8.541 1.997
79 HH12 ARG 20 HH12 ARG 20 -0.072 -8.566 0.484
80 HH21 ARG 20 HH21 ARG 20 2.761 -7.987 -1.489
81 HH22 ARG 20 HH22 ARG 20 1.038 -8.279 -1.467
82 H HIS 21 HN HIS 21 2.656 -6.746 5.849
83 HA HIS 21 HA HIS 21 2.659 -4.230 7.389
84 HB2 HIS 21 HB2 HIS 21 1.687 -6.746 8.030
85 HB3 HIS 21 HB1 HIS 21 3.257 -6.727 8.814
86 HD1 HIS 21 HD1 HIS 21 2.039 -6.961 11.028
87 HD2 HIS 21 HD2 HIS 21 1.208 -3.306 9.079
88 HE1 HIS 21 HE1 HIS 21 0.909 -5.502 12.732
89 HE2 HIS 21 HE2 HIS 21 0.465 -3.321 11.565
90 H ALA 22 HN ALA 22 4.605 -3.267 7.257
91 HA ALA 22 HA ALA 22 6.998 -4.550 6.499
92 HB1 ALA 22 HB1 ALA 22 6.631 -1.928 7.953
93 HB2 ALA 22 HB2 ALA 22 6.602 -2.148 6.203
94 HB3 ALA 22 HB3 ALA 22 8.088 -2.450 7.107
95 HA PRO 23 HA PRO 23 8.652 -6.447 10.080
96 HB2 PRO 23 HB2 PRO 23 11.090 -4.760 9.947
97 HB3 PRO 23 HB1 PRO 23 10.932 -6.519 9.918
98 HG2 PRO 23 HG2 PRO 23 11.513 -5.167 7.698
99 HG3 PRO 23 HG1 PRO 23 10.427 -6.569 7.657
100 HD2 PRO 23 HD2 PRO 23 9.767 -3.654 7.558
101 HD3 PRO 23 HD1 PRO 23 9.033 -5.008 6.674
102 H ASN 24 HN ASN 24 8.469 -2.992 10.080
103 HA ASN 24 HA ASN 24 9.066 -2.717 12.892
104 HB2 ASN 24 HB2 ASN 24 8.557 -0.357 12.604
105 HB3 ASN 24 HB1 ASN 24 9.620 -0.889 11.310
106 HD21 ASN 24 HD21 ASN 24 7.952 1.425 11.349
107 HD22 ASN 24 HD22 ASN 24 6.842 1.270 10.029
108 H GLY 25 HN GLY 25 6.533 -3.736 11.027
109 HA2 GLY 25 HA2 GLY 25 4.554 -4.644 11.829
110 HA3 GLY 25 HA1 GLY 25 4.774 -3.750 13.311
111 H ARG 26 HN ARG 26 5.015 -2.180 10.239
112 HA ARG 26 HA ARG 26 2.351 -0.974 10.646
113 HB2 ARG 26 HB2 ARG 26 4.821 0.163 9.317
114 HB3 ARG 26 HB1 ARG 26 3.239 0.922 9.257
115 HG2 ARG 26 HG2 ARG 26 4.700 0.349 11.821
116 HG3 ARG 26 HG1 ARG 26 4.842 1.865 10.933
117 HD2 ARG 26 HD2 ARG 26 3.132 2.520 12.234
118 HD3 ARG 26 HD1 ARG 26 2.148 1.609 11.090
119 HE ARG 26 HE ARG 26 3.065 -0.103 13.146
120 HH11 ARG 26 HH11 ARG 26 0.810 2.531 12.590
121 HH12 ARG 26 HH12 ARG 26 -0.247 2.061 13.891
122 HH21 ARG 26 HH21 ARG 26 1.651 -0.739 14.830
123 HH22 ARG 26 HH22 ARG 26 0.205 0.188 15.131
124 HA PRO 27 HA PRO 27 1.629 -2.850 6.626
125 HB2 PRO 27 HB2 PRO 27 -1.010 -2.407 6.468
126 HB3 PRO 27 HB1 PRO 27 -0.351 -3.605 7.583
127 HG2 PRO 27 HG2 PRO 27 -1.342 -0.847 8.134
128 HG3 PRO 27 HG1 PRO 27 -1.504 -2.317 9.112
129 HD2 PRO 27 HD2 PRO 27 0.392 -0.371 9.508
130 HD3 PRO 27 HD1 PRO 27 0.489 -1.945 10.167
131 H PHE 28 HN PHE 28 2.338 -1.832 4.963
132 HA PHE 28 HA PHE 28 1.297 0.805 4.242
133 HB2 PHE 28 HB2 PHE 28 3.303 0.959 2.769
134 HB3 PHE 28 HB1 PHE 28 3.705 0.795 4.467
135 HD1 PHE 28 HD1 PHE 28 3.772 -1.981 5.051
136 HD2 PHE 28 HD2 PHE 28 4.878 -0.038 1.425
137 HE1 PHE 28 HE1 PHE 28 5.299 -3.830 4.527
138 HE2 PHE 28 HE2 PHE 28 6.387 -1.897 0.895
139 HZ PHE 28 HZ PHE 28 6.605 -3.793 2.443
140 H PHE 29 HN PHE 29 -0.037 0.960 2.601
141 HA PHE 29 HA PHE 29 -0.766 -1.479 1.194
142 HB2 PHE 29 HB2 PHE 29 -2.106 1.242 1.211
143 HB3 PHE 29 HB1 PHE 29 -2.754 -0.230 0.490
144 HD1 PHE 29 HD2 PHE 29 -1.531 1.036 3.789
145 HD2 PHE 29 HD1 PHE 29 -4.244 -1.478 1.689
146 HE1 PHE 29 HE2 PHE 29 -2.612 0.438 5.915
147 HE2 PHE 29 HE1 PHE 29 -5.334 -2.078 3.810
148 HZ PHE 29 HZ PHE 29 -4.510 -1.133 5.926
149 H ILE 30 HN ILE 30 -0.081 -1.893 -0.774
150 HA ILE 30 HA ILE 30 1.243 0.286 -2.234
151 HB ILE 30 HB ILE 30 1.618 -2.649 -2.800
152 HG12 ILE 30 HG12 ILE 30 3.395 -0.942 -1.090
153 HG13 ILE 30 HG11 ILE 30 2.215 -2.048 -0.408
154 HG21 ILE 30 HG21 ILE 30 3.716 -1.844 -3.803
155 HG22 ILE 30 HG22 ILE 30 3.276 -0.189 -3.379
156 HG23 ILE 30 HG23 ILE 30 2.302 -1.091 -4.541
157 HD11 ILE 30 HD11 ILE 30 4.561 -2.784 -2.148
158 HD12 ILE 30 HD12 ILE 30 3.367 -3.912 -1.505
159 HD13 ILE 30 HD13 ILE 30 4.429 -3.031 -0.406
160 H ASP 31 HN ASP 31 0.613 0.871 -4.151
161 HA ASP 31 HA ASP 31 -1.496 -0.584 -5.554
162 HB2 ASP 31 HB2 ASP 31 -1.962 1.671 -5.818
163 HB3 ASP 31 HB1 ASP 31 -0.260 2.125 -5.845
164 H HIS 32 HN HIS 32 -0.924 -2.200 -6.733
165 HA HIS 32 HA HIS 32 1.823 -2.439 -7.683
166 HB2 HIS 32 HB2 HIS 32 -0.427 -4.409 -7.313
167 HB3 HIS 32 HB1 HIS 32 1.041 -4.838 -8.171
168 HD1 HIS 32 HD1 HIS 32 2.305 -6.324 -6.540
169 HD2 HIS 32 HD2 HIS 32 0.770 -2.905 -4.736
170 HE1 HIS 32 HE1 HIS 32 3.141 -6.341 -4.150
171 HE2 HIS 32 HE2 HIS 32 2.240 -4.258 -3.119
172 H ASN 33 HN ASN 33 -0.958 -1.208 -8.871
173 HA ASN 33 HA ASN 33 -0.823 -2.346 -11.529
174 HB2 ASN 33 HB2 ASN 33 -2.294 0.166 -10.717
175 HB3 ASN 33 HB1 ASN 33 -2.587 -0.837 -12.132
176 HD21 ASN 33 HD21 ASN 33 -3.078 -0.417 -8.758
177 HD22 ASN 33 HD22 ASN 33 -4.233 -1.705 -8.556
178 H THR 34 HN THR 34 0.250 0.495 -9.807
179 HA THR 34 HA THR 34 1.884 1.158 -12.151
180 HB THR 34 HB THR 34 0.782 3.199 -10.206
181 HG1 THR 34 HG1 THR 34 -0.878 2.264 -11.460
182 HG21 THR 34 HG21 THR 34 2.865 3.864 -11.313
183 HG22 THR 34 HG22 THR 34 1.499 4.805 -11.911
184 HG23 THR 34 HG23 THR 34 2.152 3.485 -12.882
185 H LYS 35 HN LYS 35 1.957 2.540 -8.853
186 HA LYS 35 HA LYS 35 4.380 1.337 -8.028
187 HB2 LYS 35 HB2 LYS 35 4.606 3.990 -9.460
188 HB3 LYS 35 HB1 LYS 35 5.769 3.495 -8.247
189 HG2 LYS 35 HG2 LYS 35 5.198 2.091 -10.845
190 HG3 LYS 35 HG1 LYS 35 6.611 3.077 -10.470
191 HD2 LYS 35 HD2 LYS 35 7.280 1.493 -8.747
192 HD3 LYS 35 HD1 LYS 35 5.840 0.520 -9.066
193 HE2 LYS 35 HE2 LYS 35 8.125 1.058 -10.958
194 HE3 LYS 35 HE1 LYS 35 7.739 -0.473 -10.173
195 HZ1 LYS 35 HZ1 LYS 35 6.946 -0.540 -12.408
196 HZ2 LYS 35 HZ2 LYS 35 6.130 0.935 -12.237
197 HZ3 LYS 35 HZ3 LYS 35 5.591 -0.431 -11.393
198 H THR 36 HN THR 36 1.737 2.369 -7.025
199 HA THR 36 HA THR 36 2.489 4.816 -5.601
200 HB THR 36 HB THR 36 -0.221 3.590 -5.417
201 HG1 THR 36 HG1 THR 36 -0.046 3.689 -7.612
202 HG21 THR 36 HG21 THR 36 -0.919 5.942 -5.241
203 HG22 THR 36 HG22 THR 36 0.765 6.438 -5.415
204 HG23 THR 36 HG23 THR 36 0.261 5.509 -4.004
205 H THR 37 HN THR 37 2.165 5.057 -3.369
206 HA THR 37 HA THR 37 1.817 2.669 -1.766
207 HB THR 37 HB THR 37 3.925 3.313 -0.430
208 HG1 THR 37 HG1 THR 37 5.536 4.327 -1.672
209 HG21 THR 37 HG21 THR 37 3.734 1.238 -1.684
210 HG22 THR 37 HG22 THR 37 5.354 1.914 -1.856
211 HG23 THR 37 HG23 THR 37 4.186 2.075 -3.169
212 H THR 38 HN THR 38 0.817 3.085 0.108
213 HA THR 38 HA THR 38 0.988 5.717 1.328
214 HB THR 38 HB THR 38 -0.861 6.009 -0.239
215 HG1 THR 38 HG1 THR 38 -2.588 6.237 1.538
216 HG21 THR 38 HG21 THR 38 -2.127 3.648 1.157
217 HG22 THR 38 HG22 THR 38 -1.538 3.682 -0.505
218 HG23 THR 38 HG23 THR 38 -2.917 4.676 -0.039
219 H TRP 39 HN TRP 39 0.333 5.695 3.566
220 HA TRP 39 HA TRP 39 0.406 3.026 4.748
221 HB2 TRP 39 HB2 TRP 39 0.251 5.693 6.163
222 HB3 TRP 39 HB1 TRP 39 0.642 4.141 6.888
223 HD1 TRP 39 HD1 TRP 39 2.135 7.047 5.060
224 HE1 TRP 39 HE1 TRP 39 4.706 6.757 4.949
225 HE3 TRP 39 HE3 TRP 39 2.473 2.223 6.695
226 HZ2 TRP 39 HZ2 TRP 39 6.613 4.730 5.512
227 HZ3 TRP 39 HZ3 TRP 39 4.693 1.179 6.887
228 HH2 TRP 39 HH2 TRP 39 6.718 2.408 6.300
229 H GLU 40 HN GLU 40 -1.895 5.155 3.667
230 HA GLU 40 HA GLU 40 -3.791 4.397 5.760
231 HB2 GLU 40 HB2 GLU 40 -5.041 6.438 5.124
232 HB3 GLU 40 HB1 GLU 40 -3.420 6.754 5.726
233 HG2 GLU 40 HG2 GLU 40 -3.696 8.219 3.968
234 HG3 GLU 40 HG1 GLU 40 -2.712 6.922 3.302
235 H ASP 41 HN ASP 41 -6.113 4.295 4.944
236 HA ASP 41 HA ASP 41 -5.929 2.320 2.794
237 HB2 ASP 41 HB2 ASP 41 -8.070 1.434 3.721
238 HB3 ASP 41 HB1 ASP 41 -6.721 1.372 4.846
239 HA PRO 42 HA PRO 42 -8.117 4.917 -0.034
240 HB2 PRO 42 HB2 PRO 42 -8.754 2.929 -1.806
241 HB3 PRO 42 HB1 PRO 42 -7.158 3.681 -1.717
242 HG2 PRO 42 HG2 PRO 42 -8.108 1.114 -0.501
243 HG3 PRO 42 HG1 PRO 42 -6.596 1.437 -1.373
244 HD2 PRO 42 HD2 PRO 42 -6.646 1.338 1.295
245 HD3 PRO 42 HD1 PRO 42 -5.640 2.531 0.448
246 H ARG 43 HN ARG 43 -9.409 2.412 1.828
247 HA ARG 43 HA ARG 43 -12.078 2.421 0.764
248 HB2 ARG 43 HB2 ARG 43 -10.954 1.369 3.364
249 HB3 ARG 43 HB1 ARG 43 -12.606 1.117 2.818
250 HG2 ARG 43 HG2 ARG 43 -11.894 -0.196 0.991
251 HG3 ARG 43 HG1 ARG 43 -10.208 0.246 1.242
252 HD2 ARG 43 HD2 ARG 43 -10.733 -2.025 2.046
253 HD3 ARG 43 HD1 ARG 43 -10.149 -0.958 3.321
254 HE ARG 43 HE ARG 43 -13.006 -1.006 3.159
255 HH11 ARG 43 HH11 ARG 43 -10.193 -2.668 4.420
256 HH12 ARG 43 HH12 ARG 43 -11.079 -3.461 5.692
257 HH21 ARG 43 HH21 ARG 43 -14.171 -2.040 4.822
258 HH22 ARG 43 HH22 ARG 43 -13.345 -3.116 5.911
259 H LEU 44 HN LEU 44 -10.390 3.838 3.494
260 HA LEU 44 HA LEU 44 -12.706 5.214 4.447
261 HB2 LEU 44 HB2 LEU 44 -9.868 4.997 5.243
262 HB3 LEU 44 HB1 LEU 44 -10.724 6.421 5.769
263 HG LEU 44 HG LEU 44 -10.572 4.178 7.226
264 HD11 LEU 44 HD11 LEU 44 -12.529 4.985 8.459
265 HD12 LEU 44 HD12 LEU 44 -12.968 6.010 7.093
266 HD13 LEU 44 HD13 LEU 44 -11.473 6.314 7.978
267 HD21 LEU 44 HD21 LEU 44 -11.770 2.790 5.614
268 HD22 LEU 44 HD22 LEU 44 -13.153 3.883 5.684
269 HD23 LEU 44 HD23 LEU 44 -12.690 2.955 7.110
270 H LYS 45 HN LYS 45 -10.442 5.688 2.163
271 HA LYS 45 HA LYS 45 -9.538 7.525 1.055
272 HB2 LYS 45 HB2 LYS 45 -11.368 6.562 -0.257
273 HB3 LYS 45 HB1 LYS 45 -12.497 7.684 0.491
274 HG2 LYS 45 HG2 LYS 45 -11.443 9.554 -0.537
275 HG3 LYS 45 HG1 LYS 45 -10.109 8.556 -1.114
276 HD2 LYS 45 HD2 LYS 45 -12.979 8.169 -1.951
277 HD3 LYS 45 HD1 LYS 45 -11.819 9.145 -2.852
278 HE2 LYS 45 HE2 LYS 45 -10.352 7.112 -2.988
279 HE3 LYS 45 HE1 LYS 45 -11.678 6.185 -2.287
280 HZ1 LYS 45 HZ1 LYS 45 -11.867 7.744 -4.811
281 HZ2 LYS 45 HZ2 LYS 45 -13.054 6.717 -4.165
282 HZ3 LYS 45 HZ3 LYS 45 -11.594 6.070 -4.735
283 H GLN 112 H GLN 112 6.648 10.768 4.874
284 HA GLN 112 HA GLN 112 8.232 8.473 5.840
285 HB2 GLN 112 HB2 GLN 112 5.352 9.168 6.393
286 HB3 GLN 112 HB1 GLN 112 5.970 7.526 6.506
287 HG2 GLN 112 HG2 GLN 112 7.039 9.860 8.076
288 HG3 GLN 112 HG1 GLN 112 5.848 8.705 8.665
289 HE21 GLN 112 HE21 GLN 112 9.187 9.204 7.842
290 HE22 GLN 112 HE22 GLN 112 9.783 7.731 8.530
291 H ILE 113 HN ILE 113 8.683 7.422 4.050
292 HA ILE 113 HA ILE 113 6.676 7.388 1.897
293 HB ILE 113 HB ILE 113 8.709 8.415 1.152
294 HG12 ILE 113 HG12 ILE 113 9.380 6.867 -0.692
295 HG13 ILE 113 HG11 ILE 113 8.433 5.603 0.084
296 HG21 ILE 113 HG21 ILE 113 10.262 7.540 2.779
297 HG22 ILE 113 HG22 ILE 113 10.866 7.252 1.148
298 HG23 ILE 113 HG23 ILE 113 10.142 5.932 2.065
299 HD11 ILE 113 HD11 ILE 113 6.414 6.949 -0.201
300 HD12 ILE 113 HD12 ILE 113 7.209 6.623 -1.740
301 HD13 ILE 113 HD13 ILE 113 7.370 8.207 -0.984
302 HA PRO 114 HA PRO 114 6.338 2.986 2.900
303 HB2 PRO 114 HB2 PRO 114 4.337 3.013 0.766
304 HB3 PRO 114 HB1 PRO 114 4.150 2.587 2.468
305 HG2 PRO 114 HG2 PRO 114 3.101 4.838 1.407
306 HG3 PRO 114 HG1 PRO 114 3.648 4.734 3.090
307 HD2 PRO 114 HD2 PRO 114 4.998 5.972 0.727
308 HD3 PRO 114 HD1 PRO 114 4.928 6.524 2.415
309 HA PRO 115 HA PRO 115 9.045 1.683 -0.505
310 HB2 PRO 115 HB2 PRO 115 8.422 -0.934 0.762
311 HB3 PRO 115 HB1 PRO 115 9.979 -0.240 0.328
312 HG2 PRO 115 HG2 PRO 115 9.205 -0.339 2.866
313 HG3 PRO 115 HG1 PRO 115 10.085 1.068 2.239
314 HD2 PRO 115 HD2 PRO 115 7.177 0.764 2.841
315 HD3 PRO 115 HD1 PRO 115 8.243 2.168 3.061
316 HA PRO 116 HA PRO 116 5.892 0.449 -3.493
317 HB2 PRO 116 HB2 PRO 116 7.971 -0.429 -5.198
318 HB3 PRO 116 HB1 PRO 116 7.138 1.133 -5.255
319 HG2 PRO 116 HG2 PRO 116 9.655 0.372 -3.845
320 HG3 PRO 116 HG1 PRO 116 9.283 1.847 -4.776
321 HD2 PRO 116 HD2 PRO 116 9.114 2.015 -2.244
322 HD3 PRO 116 HD1 PRO 116 7.733 2.557 -3.165
323 H TYR 117 HN TYR 117 6.020 -1.020 -4.932
324 HA TYR 117 HA TYR 117 5.743 -3.640 -3.678
325 HB2 TYR 117 HB2 TYR 117 4.162 -4.170 -5.251
326 HB3 TYR 117 HB1 TYR 117 4.024 -2.422 -5.249
327 HD1 TYR 117 HD2 TYR 117 4.890 -1.112 -7.174
328 HD2 TYR 117 HD1 TYR 117 4.919 -5.366 -7.161
329 HE1 TYR 117 HE2 TYR 117 5.188 -1.118 -9.618
330 HE2 TYR 117 HE1 TYR 117 5.210 -5.383 -9.595
331 HH TYR 117 HH TYR 117 4.756 -3.916 -11.507
332 H VAL 118 HN VAL 118 6.941 -5.399 -4.051
333 HA VAL 118 HA VAL 118 8.943 -5.263 -6.215
334 HB VAL 118 HB VAL 118 10.362 -6.770 -4.845
335 HG11 VAL 118 HG11 VAL 118 11.089 -5.085 -3.210
336 HG12 VAL 118 HG12 VAL 118 9.600 -4.180 -3.495
337 HG13 VAL 118 HG13 VAL 118 10.777 -4.379 -4.795
338 HG21 VAL 118 HG21 VAL 118 8.607 -7.796 -3.486
339 HG22 VAL 118 HG22 VAL 118 8.327 -6.256 -2.670
340 HG23 VAL 118 HG23 VAL 118 9.867 -7.094 -2.471
341 H GLU 119 HN GLU 119 6.183 -6.694 -5.093
342 HA GLU 119 HA GLU 119 6.691 -9.265 -6.417
343 HB2 GLU 119 HB2 GLU 119 4.092 -8.786 -5.081
344 HB3 GLU 119 HB1 GLU 119 5.119 -10.209 -5.061
345 HG2 GLU 119 HG2 GLU 119 5.277 -9.560 -2.885
346 HG3 GLU 119 HG1 GLU 119 6.653 -8.692 -3.567
347 HA PRO 120 HA PRO 120 4.357 -7.385 -9.788
348 HB2 PRO 120 HB2 PRO 120 5.167 -9.723 -11.319
349 HB3 PRO 120 HB1 PRO 120 5.635 -8.037 -11.544
350 HG2 PRO 120 HG2 PRO 120 7.362 -9.951 -10.689
351 HG3 PRO 120 HG1 PRO 120 7.504 -8.244 -10.232
352 HD2 PRO 120 HD2 PRO 120 6.363 -10.535 -8.672
353 HD3 PRO 120 HD1 PRO 120 7.407 -9.206 -8.121
Start of MODEL 15
1 H PHE 12 H PHE 12 -11.569 -6.653 -1.946
2 HA PHE 12 HA PHE 12 -13.697 -5.807 -2.533
3 HB2 PHE 12 HB2 PHE 12 -15.034 -4.580 -0.783
4 HB3 PHE 12 HB1 PHE 12 -15.016 -6.329 -0.624
5 HD1 PHE 12 HD1 PHE 12 -13.709 -7.392 1.175
6 HD2 PHE 12 HD2 PHE 12 -14.121 -3.166 0.897
7 HE1 PHE 12 HE1 PHE 12 -12.995 -7.175 3.517
8 HE2 PHE 12 HE2 PHE 12 -13.401 -2.940 3.241
9 HZ PHE 12 HZ PHE 12 -12.839 -4.945 4.553
10 H LEU 13 HN LEU 13 -10.819 -4.943 -1.382
11 HA LEU 13 HA LEU 13 -11.199 -2.104 -1.991
12 HB2 LEU 13 HB2 LEU 13 -8.842 -1.838 -1.289
13 HB3 LEU 13 HB1 LEU 13 -9.856 -2.498 -0.028
14 HG LEU 13 HG LEU 13 -8.895 -4.797 -0.897
15 HD11 LEU 13 HD11 LEU 13 -6.595 -4.615 -1.642
16 HD12 LEU 13 HD12 LEU 13 -6.731 -2.858 -1.676
17 HD13 LEU 13 HD13 LEU 13 -7.685 -3.838 -2.790
18 HD21 LEU 13 HD21 LEU 13 -7.310 -2.861 0.780
19 HD22 LEU 13 HD22 LEU 13 -7.118 -4.613 0.765
20 HD23 LEU 13 HD23 LEU 13 -8.619 -3.897 1.351
21 HA PRO 14 HA PRO 14 -9.949 -2.165 -6.154
22 HB2 PRO 14 HB2 PRO 14 -7.544 -0.621 -5.341
23 HB3 PRO 14 HB1 PRO 14 -8.613 -0.383 -6.732
24 HG2 PRO 14 HG2 PRO 14 -8.943 1.078 -4.714
25 HG3 PRO 14 HG1 PRO 14 -10.382 0.312 -5.348
26 HD2 PRO 14 HD2 PRO 14 -8.751 -0.433 -2.931
27 HD3 PRO 14 HD1 PRO 14 -10.523 -0.376 -3.103
28 H LYS 15 HN LYS 15 -8.707 -2.852 -7.615
29 HA LYS 15 HA LYS 15 -7.370 -5.312 -6.844
30 HB2 LYS 15 HB2 LYS 15 -8.097 -4.182 -9.546
31 HB3 LYS 15 HB1 LYS 15 -7.278 -5.724 -9.328
32 HG2 LYS 15 HG2 LYS 15 -9.175 -6.548 -8.026
33 HG3 LYS 15 HG1 LYS 15 -9.995 -5.004 -8.255
34 HD2 LYS 15 HD2 LYS 15 -9.920 -5.375 -10.702
35 HD3 LYS 15 HD1 LYS 15 -9.197 -6.959 -10.410
36 HE2 LYS 15 HE2 LYS 15 -11.907 -6.055 -9.436
37 HE3 LYS 15 HE1 LYS 15 -11.613 -7.106 -10.820
38 HZ1 LYS 15 HZ1 LYS 15 -10.558 -8.699 -9.278
39 HZ2 LYS 15 HZ2 LYS 15 -12.198 -8.430 -8.936
40 HZ3 LYS 15 HZ3 LYS 15 -11.005 -7.705 -7.974
41 H GLY 16 HN GLY 16 -5.281 -5.719 -6.840
42 HA2 GLY 16 HA2 GLY 16 -3.010 -5.473 -7.362
43 HA3 GLY 16 HA1 GLY 16 -3.386 -4.002 -8.249
44 H TRP 17 HN TRP 17 -5.014 -3.726 -5.440
45 HA TRP 17 HA TRP 17 -2.900 -2.137 -4.235
46 HB2 TRP 17 HB2 TRP 17 -5.860 -2.333 -3.839
47 HB3 TRP 17 HB1 TRP 17 -4.860 -1.633 -2.572
48 HD1 TRP 17 HD1 TRP 17 -5.688 -1.073 -6.313
49 HE1 TRP 17 HE1 TRP 17 -5.408 1.430 -6.820
50 HE3 TRP 17 HE3 TRP 17 -3.839 0.462 -1.798
51 HZ2 TRP 17 HZ2 TRP 17 -4.492 3.752 -5.484
52 HZ3 TRP 17 HZ3 TRP 17 -3.275 2.838 -1.498
53 HH2 TRP 17 HH2 TRP 17 -3.596 4.448 -3.305
54 H GLU 18 HN GLU 18 -1.623 -2.958 -2.820
55 HA GLU 18 HA GLU 18 -2.430 -5.390 -1.390
56 HB2 GLU 18 HB2 GLU 18 0.093 -4.383 -2.500
57 HB3 GLU 18 HB1 GLU 18 0.232 -5.172 -0.951
58 HG2 GLU 18 HG2 GLU 18 -1.048 -6.381 -3.386
59 HG3 GLU 18 HG1 GLU 18 0.601 -6.670 -2.845
60 H VAL 19 HN VAL 19 -2.021 -5.601 0.739
61 HA VAL 19 HA VAL 19 -1.421 -3.148 2.255
62 HB VAL 19 HB VAL 19 -3.339 -5.244 3.269
63 HG11 VAL 19 HG11 VAL 19 -2.843 -2.390 4.080
64 HG12 VAL 19 HG12 VAL 19 -2.307 -3.832 4.943
65 HG13 VAL 19 HG13 VAL 19 -4.030 -3.476 4.801
66 HG21 VAL 19 HG21 VAL 19 -5.196 -3.785 2.648
67 HG22 VAL 19 HG22 VAL 19 -4.315 -4.348 1.228
68 HG23 VAL 19 HG23 VAL 19 -4.073 -2.705 1.822
69 H ARG 20 HN ARG 20 0.711 -3.780 2.581
70 HA ARG 20 HA ARG 20 1.113 -6.382 3.875
71 HB2 ARG 20 HB2 ARG 20 2.435 -5.774 1.791
72 HB3 ARG 20 HB1 ARG 20 3.252 -4.560 2.774
73 HG2 ARG 20 HG2 ARG 20 3.865 -6.445 4.351
74 HG3 ARG 20 HG1 ARG 20 3.317 -7.547 3.088
75 HD2 ARG 20 HD2 ARG 20 5.435 -5.442 2.740
76 HD3 ARG 20 HD1 ARG 20 5.763 -7.138 3.073
77 HE ARG 20 HE ARG 20 4.123 -6.797 0.750
78 HH11 ARG 20 HH11 ARG 20 7.418 -6.603 1.914
79 HH12 ARG 20 HH12 ARG 20 8.129 -7.006 0.382
80 HH21 ARG 20 HH21 ARG 20 5.046 -7.311 -1.290
81 HH22 ARG 20 HH22 ARG 20 6.770 -7.415 -1.441
82 H HIS 21 HN HIS 21 2.181 -6.544 5.831
83 HA HIS 21 HA HIS 21 2.219 -4.074 7.429
84 HB2 HIS 21 HB2 HIS 21 1.186 -6.591 7.960
85 HB3 HIS 21 HB1 HIS 21 2.727 -6.620 8.797
86 HD1 HIS 21 HD1 HIS 21 1.473 -6.846 10.989
87 HD2 HIS 21 HD2 HIS 21 0.742 -3.182 9.066
88 HE1 HIS 21 HE1 HIS 21 0.203 -5.448 12.635
89 HE2 HIS 21 HE2 HIS 21 -0.469 -3.391 11.353
90 H ALA 22 HN ALA 22 4.172 -3.138 7.371
91 HA ALA 22 HA ALA 22 6.591 -4.420 6.697
92 HB1 ALA 22 HB1 ALA 22 6.201 -2.017 6.405
93 HB2 ALA 22 HB2 ALA 22 7.651 -2.319 7.362
94 HB3 ALA 22 HB3 ALA 22 6.160 -1.810 8.156
95 HA PRO 23 HA PRO 23 8.153 -6.266 10.369
96 HB2 PRO 23 HB2 PRO 23 10.559 -4.533 10.339
97 HB3 PRO 23 HB1 PRO 23 10.436 -6.295 10.293
98 HG2 PRO 23 HG2 PRO 23 11.091 -4.900 8.113
99 HG3 PRO 23 HG1 PRO 23 10.060 -6.340 8.010
100 HD2 PRO 23 HD2 PRO 23 9.302 -3.450 7.884
101 HD3 PRO 23 HD1 PRO 23 8.656 -4.826 6.967
102 H ASN 24 HN ASN 24 7.905 -2.819 10.311
103 HA ASN 24 HA ASN 24 8.345 -2.482 13.144
104 HB2 ASN 24 HB2 ASN 24 7.854 -0.154 12.799
105 HB3 ASN 24 HB1 ASN 24 8.886 -0.681 11.476
106 HD21 ASN 24 HD21 ASN 24 7.195 1.601 11.546
107 HD22 ASN 24 HD22 ASN 24 6.024 1.415 10.283
108 H GLY 25 HN GLY 25 5.937 -3.594 11.161
109 HA2 GLY 25 HA2 GLY 25 3.944 -4.549 11.856
110 HA3 GLY 25 HA1 GLY 25 4.081 -3.673 13.361
111 H ARG 26 HN ARG 26 4.249 -2.243 10.154
112 HA ARG 26 HA ARG 26 1.583 -1.059 10.604
113 HB2 ARG 26 HB2 ARG 26 4.074 0.188 9.438
114 HB3 ARG 26 HB1 ARG 26 2.476 0.848 9.135
115 HG2 ARG 26 HG2 ARG 26 3.725 0.525 11.856
116 HG3 ARG 26 HG1 ARG 26 3.656 2.023 10.929
117 HD2 ARG 26 HD2 ARG 26 1.844 2.263 12.336
118 HD3 ARG 26 HD1 ARG 26 1.089 1.566 10.904
119 HE ARG 26 HE ARG 26 1.905 -0.446 12.748
120 HH11 ARG 26 HH11 ARG 26 -0.639 1.883 12.084
121 HH12 ARG 26 HH12 ARG 26 -1.823 1.027 13.037
122 HH21 ARG 26 HH21 ARG 26 0.367 -1.532 14.019
123 HH22 ARG 26 HH22 ARG 26 -1.244 -0.888 14.153
124 HA PRO 27 HA PRO 27 0.775 -2.659 6.456
125 HB2 PRO 27 HB2 PRO 27 -1.709 -1.684 6.159
126 HB3 PRO 27 HB1 PRO 27 -1.407 -2.999 7.293
127 HG2 PRO 27 HG2 PRO 27 -1.623 -0.049 7.841
128 HG3 PRO 27 HG1 PRO 27 -2.416 -1.394 8.691
129 HD2 PRO 27 HD2 PRO 27 -0.155 -0.308 9.643
130 HD3 PRO 27 HD1 PRO 27 -0.498 -1.983 9.812
131 H PHE 28 HN PHE 28 1.894 -1.625 4.966
132 HA PHE 28 HA PHE 28 1.081 1.069 4.165
133 HB2 PHE 28 HB2 PHE 28 3.201 1.130 2.868
134 HB3 PHE 28 HB1 PHE 28 3.463 0.929 4.589
135 HD1 PHE 28 HD2 PHE 28 3.490 -1.756 5.236
136 HD2 PHE 28 HD1 PHE 28 4.683 -0.024 1.529
137 HE1 PHE 28 HE2 PHE 28 4.941 -3.686 4.798
138 HE2 PHE 28 HE1 PHE 28 6.122 -1.960 1.093
139 HZ PHE 28 HZ PHE 28 6.259 -3.793 2.725
140 H PHE 29 HN PHE 29 -0.089 1.302 2.426
141 HA PHE 29 HA PHE 29 -0.864 -1.102 0.989
142 HB2 PHE 29 HB2 PHE 29 -2.000 1.699 0.781
143 HB3 PHE 29 HB1 PHE 29 -2.677 0.233 0.079
144 HD1 PHE 29 HD1 PHE 29 -1.699 1.589 3.430
145 HD2 PHE 29 HD2 PHE 29 -4.388 -0.785 1.145
146 HE1 PHE 29 HE1 PHE 29 -3.095 1.248 5.430
147 HE2 PHE 29 HE2 PHE 29 -5.779 -1.136 3.137
148 HZ PHE 29 HZ PHE 29 -5.139 -0.120 5.279
149 H ILE 30 HN ILE 30 -0.112 -1.571 -0.915
150 HA ILE 30 HA ILE 30 1.347 0.506 -2.393
151 HB ILE 30 HB ILE 30 1.563 -2.464 -2.866
152 HG12 ILE 30 HG12 ILE 30 3.442 -0.772 -1.267
153 HG13 ILE 30 HG11 ILE 30 2.209 -1.771 -0.514
154 HG21 ILE 30 HG21 ILE 30 3.335 -0.116 -3.566
155 HG22 ILE 30 HG22 ILE 30 2.295 -1.005 -4.680
156 HG23 ILE 30 HG23 ILE 30 3.678 -1.806 -3.935
157 HD11 ILE 30 HD11 ILE 30 4.498 -2.727 -2.218
158 HD12 ILE 30 HD12 ILE 30 3.241 -3.753 -1.526
159 HD13 ILE 30 HD13 ILE 30 4.354 -2.885 -0.468
160 H ASP 31 HN ASP 31 0.636 1.132 -4.266
161 HA ASP 31 HA ASP 31 -1.533 -0.336 -5.574
162 HB2 ASP 31 HB2 ASP 31 -1.855 2.033 -5.651
163 HB3 ASP 31 HB1 ASP 31 -0.206 2.304 -6.212
164 H HIS 32 HN HIS 32 -1.039 -1.930 -6.873
165 HA HIS 32 HA HIS 32 1.705 -2.144 -7.852
166 HB2 HIS 32 HB2 HIS 32 -0.539 -4.150 -7.590
167 HB3 HIS 32 HB1 HIS 32 1.000 -4.531 -8.343
168 HD1 HIS 32 HD1 HIS 32 1.952 -6.144 -6.625
169 HD2 HIS 32 HD2 HIS 32 0.657 -2.580 -4.924
170 HE1 HIS 32 HE1 HIS 32 2.658 -6.201 -4.184
171 HE2 HIS 32 HE2 HIS 32 1.651 -4.166 -3.172
172 H ASN 33 HN ASN 33 -0.978 -0.778 -8.958
173 HA ASN 33 HA ASN 33 -0.922 -1.845 -11.668
174 HB2 ASN 33 HB2 ASN 33 -2.554 0.470 -10.599
175 HB3 ASN 33 HB1 ASN 33 -2.802 -0.386 -12.116
176 HD21 ASN 33 HD21 ASN 33 -3.304 -0.371 -8.714
177 HD22 ASN 33 HD22 ASN 33 -4.308 -1.793 -8.647
178 H THR 34 HN THR 34 -0.755 1.415 -10.244
179 HA THR 34 HA THR 34 0.846 2.300 -12.542
180 HB THR 34 HB THR 34 -0.491 3.970 -10.397
181 HG1 THR 34 HG1 THR 34 -1.421 3.320 -13.024
182 HG21 THR 34 HG21 THR 34 0.541 4.695 -13.143
183 HG22 THR 34 HG22 THR 34 1.301 5.121 -11.610
184 HG23 THR 34 HG23 THR 34 -0.278 5.788 -12.028
185 H LYS 35 HN LYS 35 0.910 1.642 -9.208
186 HA LYS 35 HA LYS 35 2.612 1.275 -7.792
187 HB2 LYS 35 HB2 LYS 35 4.226 0.781 -9.453
188 HB3 LYS 35 HB1 LYS 35 4.385 2.476 -9.894
189 HG2 LYS 35 HG2 LYS 35 5.482 3.008 -7.879
190 HG3 LYS 35 HG1 LYS 35 5.044 1.462 -7.147
191 HD2 LYS 35 HD2 LYS 35 7.358 1.419 -7.800
192 HD3 LYS 35 HD1 LYS 35 6.405 0.324 -8.804
193 HE2 LYS 35 HE2 LYS 35 6.347 1.990 -10.588
194 HE3 LYS 35 HE1 LYS 35 7.258 3.111 -9.582
195 HZ1 LYS 35 HZ1 LYS 35 8.736 2.080 -11.113
196 HZ2 LYS 35 HZ2 LYS 35 8.210 0.528 -10.688
197 HZ3 LYS 35 HZ3 LYS 35 9.083 1.460 -9.574
198 H THR 36 HN THR 36 1.880 2.385 -6.280
199 HA THR 36 HA THR 36 3.232 4.836 -5.586
200 HB THR 36 HB THR 36 0.883 5.705 -4.715
201 HG1 THR 36 HG1 THR 36 0.259 4.019 -6.911
202 HG21 THR 36 HG21 THR 36 2.376 6.967 -6.160
203 HG22 THR 36 HG22 THR 36 0.710 7.118 -6.718
204 HG23 THR 36 HG23 THR 36 1.829 6.047 -7.561
205 H THR 37 HN THR 37 3.282 5.137 -3.272
206 HA THR 37 HA THR 37 2.075 2.896 -1.796
207 HB THR 37 HB THR 37 4.129 3.157 -0.239
208 HG1 THR 37 HG1 THR 37 5.941 3.999 -1.178
209 HG21 THR 37 HG21 THR 37 3.656 1.161 -1.556
210 HG22 THR 37 HG22 THR 37 5.384 1.522 -1.578
211 HG23 THR 37 HG23 THR 37 4.383 1.911 -2.977
212 H THR 38 HN THR 38 0.964 3.367 -0.031
213 HA THR 38 HA THR 38 1.284 5.939 1.302
214 HB THR 38 HB THR 38 -0.320 6.499 -0.411
215 HG1 THR 38 HG1 THR 38 -2.312 6.563 1.160
216 HG21 THR 38 HG21 THR 38 -1.913 4.112 0.530
217 HG22 THR 38 HG22 THR 38 -1.061 4.253 -1.008
218 HG23 THR 38 HG23 THR 38 -2.443 5.294 -0.667
219 H TRP 39 HN TRP 39 0.317 5.955 3.434
220 HA TRP 39 HA TRP 39 0.152 3.254 4.538
221 HB2 TRP 39 HB2 TRP 39 0.081 5.885 6.017
222 HB3 TRP 39 HB1 TRP 39 0.351 4.289 6.708
223 HD1 TRP 39 HD1 TRP 39 2.068 7.088 4.853
224 HE1 TRP 39 HE1 TRP 39 4.626 6.643 4.858
225 HE3 TRP 39 HE3 TRP 39 2.064 2.342 6.735
226 HZ2 TRP 39 HZ2 TRP 39 6.382 4.542 5.583
227 HZ3 TRP 39 HZ3 TRP 39 4.205 1.184 7.062
228 HH2 TRP 39 HH2 TRP 39 6.317 2.258 6.500
229 H GLU 40 HN GLU 40 -1.971 5.394 3.262
230 HA GLU 40 HA GLU 40 -3.992 4.856 5.297
231 HB2 GLU 40 HB2 GLU 40 -5.160 6.861 4.436
232 HB3 GLU 40 HB1 GLU 40 -3.542 7.179 5.065
233 HG2 GLU 40 HG2 GLU 40 -3.863 8.503 3.151
234 HG3 GLU 40 HG1 GLU 40 -2.698 7.246 2.756
235 H ASP 41 HN ASP 41 -6.265 4.661 4.434
236 HA ASP 41 HA ASP 41 -5.971 2.249 2.804
237 HB2 ASP 41 HB2 ASP 41 -7.027 2.427 5.215
238 HB3 ASP 41 HB1 ASP 41 -8.435 2.939 4.339
239 HA PRO 42 HA PRO 42 -8.298 4.170 -0.518
240 HB2 PRO 42 HB2 PRO 42 -8.471 2.038 -2.142
241 HB3 PRO 42 HB1 PRO 42 -6.952 2.918 -1.911
242 HG2 PRO 42 HG2 PRO 42 -7.884 0.377 -0.620
243 HG3 PRO 42 HG1 PRO 42 -6.307 0.746 -1.341
244 HD2 PRO 42 HD2 PRO 42 -6.755 0.854 1.336
245 HD3 PRO 42 HD1 PRO 42 -5.598 1.927 0.520
246 H ARG 43 HN ARG 43 -9.368 1.568 1.484
247 HA ARG 43 HA ARG 43 -11.952 1.198 0.266
248 HB2 ARG 43 HB2 ARG 43 -11.032 0.618 3.089
249 HB3 ARG 43 HB1 ARG 43 -12.521 0.034 2.357
250 HG2 ARG 43 HG2 ARG 43 -11.285 -1.272 0.785
251 HG3 ARG 43 HG1 ARG 43 -9.762 -0.610 1.364
252 HD2 ARG 43 HD2 ARG 43 -11.683 -2.233 3.028
253 HD3 ARG 43 HD1 ARG 43 -10.217 -2.859 2.270
254 HE ARG 43 HE ARG 43 -9.149 -0.922 3.675
255 HH11 ARG 43 HH11 ARG 43 -11.721 -3.090 4.671
256 HH12 ARG 43 HH12 ARG 43 -11.306 -3.020 6.355
257 HH21 ARG 43 HH21 ARG 43 -8.588 -0.826 5.850
258 HH22 ARG 43 HH22 ARG 43 -9.501 -1.725 7.036
259 H LEU 44 HN LEU 44 -10.484 3.437 2.247
260 HA LEU 44 HA LEU 44 -12.806 4.470 3.542
261 HB2 LEU 44 HB2 LEU 44 -9.957 5.386 3.331
262 HB3 LEU 44 HB1 LEU 44 -11.171 6.407 4.068
263 HG LEU 44 HG LEU 44 -11.465 4.901 5.888
264 HD11 LEU 44 HD11 LEU 44 -11.497 2.799 4.686
265 HD12 LEU 44 HD12 LEU 44 -10.401 2.731 6.066
266 HD13 LEU 44 HD13 LEU 44 -9.755 2.913 4.435
267 HD21 LEU 44 HD21 LEU 44 -9.231 4.737 6.829
268 HD22 LEU 44 HD22 LEU 44 -9.484 6.289 6.030
269 HD23 LEU 44 HD23 LEU 44 -8.539 5.029 5.235
270 H LYS 45 HN LYS 45 -11.678 4.619 0.509
271 HA LYS 45 HA LYS 45 -12.858 7.255 -0.066
272 HB2 LYS 45 HB2 LYS 45 -10.710 5.690 -1.481
273 HB3 LYS 45 HB1 LYS 45 -11.589 6.978 -2.289
274 HG2 LYS 45 HG2 LYS 45 -9.537 7.869 -1.491
275 HG3 LYS 45 HG1 LYS 45 -10.834 8.528 -0.495
276 HD2 LYS 45 HD2 LYS 45 -10.327 6.899 1.251
277 HD3 LYS 45 HD1 LYS 45 -9.046 6.215 0.249
278 HE2 LYS 45 HE2 LYS 45 -8.136 7.724 1.927
279 HE3 LYS 45 HE1 LYS 45 -7.863 8.344 0.301
280 HZ1 LYS 45 HZ1 LYS 45 -9.791 9.803 0.609
281 HZ2 LYS 45 HZ2 LYS 45 -8.574 10.104 1.743
282 HZ3 LYS 45 HZ3 LYS 45 -9.961 9.243 2.200
283 H GLN 112 H GLN 112 5.869 8.250 6.614
284 HA GLN 112 HA GLN 112 8.152 9.503 5.214
285 HB2 GLN 112 HB2 GLN 112 8.769 8.564 7.385
286 HB3 GLN 112 HB1 GLN 112 7.981 7.047 6.974
287 HG2 GLN 112 HG2 GLN 112 9.597 6.580 5.286
288 HG3 GLN 112 HG1 GLN 112 10.303 8.187 5.445
289 HE21 GLN 112 HE21 GLN 112 9.295 6.339 8.221
290 HE22 GLN 112 HE22 GLN 112 10.886 5.988 8.806
291 H ILE 113 HN ILE 113 8.830 8.537 3.348
292 HA ILE 113 HA ILE 113 6.922 7.443 1.664
293 HB ILE 113 HB ILE 113 8.878 6.805 0.199
294 HG12 ILE 113 HG12 ILE 113 10.430 8.111 2.450
295 HG13 ILE 113 HG11 ILE 113 10.514 6.412 2.005
296 HG21 ILE 113 HG21 ILE 113 9.463 9.150 -0.257
297 HG22 ILE 113 HG22 ILE 113 8.725 9.617 1.275
298 HG23 ILE 113 HG23 ILE 113 7.731 8.931 -0.009
299 HD11 ILE 113 HD11 ILE 113 12.427 7.654 1.170
300 HD12 ILE 113 HD12 ILE 113 11.350 8.724 0.271
301 HD13 ILE 113 HD13 ILE 113 11.455 7.015 -0.156
302 HA PRO 114 HA PRO 114 7.052 3.190 3.121
303 HB2 PRO 114 HB2 PRO 114 4.828 2.458 1.612
304 HB3 PRO 114 HB1 PRO 114 4.819 3.006 3.286
305 HG2 PRO 114 HG2 PRO 114 3.855 4.364 0.944
306 HG3 PRO 114 HG1 PRO 114 3.738 4.861 2.635
307 HD2 PRO 114 HD2 PRO 114 5.506 5.841 0.565
308 HD3 PRO 114 HD1 PRO 114 5.243 6.465 2.203
309 HA PRO 115 HA PRO 115 9.315 1.151 -0.211
310 HB2 PRO 115 HB2 PRO 115 8.118 -1.179 1.228
311 HB3 PRO 115 HB1 PRO 115 9.770 -0.937 0.673
312 HG2 PRO 115 HG2 PRO 115 9.193 -0.639 3.228
313 HG3 PRO 115 HG1 PRO 115 10.287 0.507 2.427
314 HD2 PRO 115 HD2 PRO 115 7.436 0.852 3.231
315 HD3 PRO 115 HD1 PRO 115 8.769 2.027 3.228
316 HA PRO 116 HA PRO 116 6.070 0.247 -3.271
317 HB2 PRO 116 HB2 PRO 116 8.094 -0.904 -4.865
318 HB3 PRO 116 HB1 PRO 116 7.447 0.738 -5.002
319 HG2 PRO 116 HG2 PRO 116 9.806 -0.253 -3.463
320 HG3 PRO 116 HG1 PRO 116 9.649 1.210 -4.473
321 HD2 PRO 116 HD2 PRO 116 9.402 1.523 -1.967
322 HD3 PRO 116 HD1 PRO 116 8.124 2.167 -2.966
323 H TYR 117 HN TYR 117 6.086 -1.287 -4.636
324 HA TYR 117 HA TYR 117 5.450 -3.825 -3.361
325 HB2 TYR 117 HB2 TYR 117 4.162 -4.361 -5.240
326 HB3 TYR 117 HB1 TYR 117 4.005 -2.618 -5.111
327 HD1 TYR 117 HD2 TYR 117 5.084 -1.147 -6.790
328 HD2 TYR 117 HD1 TYR 117 5.258 -5.388 -7.087
329 HE1 TYR 117 HE2 TYR 117 5.758 -0.958 -9.147
330 HE2 TYR 117 HE1 TYR 117 5.924 -5.207 -9.440
331 HH TYR 117 HH TYR 117 5.671 -3.507 -11.304
332 H VAL 118 HN VAL 118 6.321 -5.816 -3.744
333 HA VAL 118 HA VAL 118 8.825 -5.882 -5.304
334 HB VAL 118 HB VAL 118 7.855 -7.844 -3.206
335 HG11 VAL 118 HG11 VAL 118 9.329 -8.867 -4.855
336 HG12 VAL 118 HG12 VAL 118 10.133 -8.734 -3.290
337 HG13 VAL 118 HG13 VAL 118 10.527 -7.601 -4.583
338 HG21 VAL 118 HG21 VAL 118 8.364 -5.684 -2.203
339 HG22 VAL 118 HG22 VAL 118 9.944 -5.680 -2.985
340 HG23 VAL 118 HG23 VAL 118 9.573 -6.886 -1.752
341 H GLU 119 HN GLU 119 5.771 -7.443 -4.680
342 HA GLU 119 HA GLU 119 6.057 -9.206 -6.994
343 HB2 GLU 119 HB2 GLU 119 3.491 -9.447 -5.787
344 HB3 GLU 119 HB1 GLU 119 4.804 -10.609 -5.779
345 HG2 GLU 119 HG2 GLU 119 4.180 -10.260 -3.531
346 HG3 GLU 119 HG1 GLU 119 5.717 -9.435 -3.762
347 HA PRO 120 HA PRO 120 3.882 -6.189 -9.453
348 HB2 PRO 120 HB2 PRO 120 3.347 -8.452 -11.267
349 HB3 PRO 120 HB1 PRO 120 4.220 -6.948 -11.575
350 HG2 PRO 120 HG2 PRO 120 5.502 -9.291 -11.364
351 HG3 PRO 120 HG1 PRO 120 6.214 -7.783 -10.761
352 HD2 PRO 120 HD2 PRO 120 4.858 -9.981 -9.241
353 HD3 PRO 120 HD1 PRO 120 6.317 -9.055 -8.823
Start of MODEL 16
1 H PHE 12 H PHE 12 -11.775 -8.062 0.484
2 HA PHE 12 HA PHE 12 -13.001 -6.129 -0.191
3 HB2 PHE 12 HB2 PHE 12 -12.794 -6.800 2.220
4 HB3 PHE 12 HB1 PHE 12 -11.500 -5.621 2.388
5 HD1 PHE 12 HD1 PHE 12 -15.015 -5.774 1.130
6 HD2 PHE 12 HD2 PHE 12 -12.060 -3.580 3.266
7 HE1 PHE 12 HE1 PHE 12 -16.682 -4.040 1.645
8 HE2 PHE 12 HE2 PHE 12 -13.723 -1.839 3.780
9 HZ PHE 12 HZ PHE 12 -16.037 -2.070 2.973
10 H LEU 13 HN LEU 13 -9.862 -5.886 -0.854
11 HA LEU 13 HA LEU 13 -9.864 -2.947 -0.983
12 HB2 LEU 13 HB2 LEU 13 -7.646 -4.952 -0.731
13 HB3 LEU 13 HB1 LEU 13 -7.330 -3.368 -1.408
14 HG LEU 13 HG LEU 13 -6.711 -3.302 0.891
15 HD11 LEU 13 HD11 LEU 13 -7.825 -1.307 0.067
16 HD12 LEU 13 HD12 LEU 13 -8.180 -1.564 1.775
17 HD13 LEU 13 HD13 LEU 13 -9.388 -1.963 0.555
18 HD21 LEU 13 HD21 LEU 13 -7.941 -5.229 1.704
19 HD22 LEU 13 HD22 LEU 13 -9.463 -4.358 1.527
20 HD23 LEU 13 HD23 LEU 13 -8.271 -3.820 2.711
21 HA PRO 14 HA PRO 14 -10.008 -2.873 -5.434
22 HB2 PRO 14 HB2 PRO 14 -7.748 -1.009 -4.894
23 HB3 PRO 14 HB1 PRO 14 -9.023 -0.883 -6.112
24 HG2 PRO 14 HG2 PRO 14 -9.309 0.418 -3.997
25 HG3 PRO 14 HG1 PRO 14 -10.661 -0.600 -4.437
26 HD2 PRO 14 HD2 PRO 14 -8.520 -1.099 -2.371
27 HD3 PRO 14 HD1 PRO 14 -10.278 -1.352 -2.227
28 H LYS 15 HN LYS 15 -8.983 -3.304 -7.145
29 HA LYS 15 HA LYS 15 -7.320 -5.624 -6.918
30 HB2 LYS 15 HB2 LYS 15 -8.993 -5.422 -8.687
31 HB3 LYS 15 HB1 LYS 15 -8.129 -4.051 -9.369
32 HG2 LYS 15 HG2 LYS 15 -6.278 -5.440 -9.983
33 HG3 LYS 15 HG1 LYS 15 -6.977 -6.822 -9.134
34 HD2 LYS 15 HD2 LYS 15 -8.233 -5.424 -11.494
35 HD3 LYS 15 HD1 LYS 15 -7.302 -6.922 -11.584
36 HE2 LYS 15 HE2 LYS 15 -8.910 -8.037 -10.152
37 HE3 LYS 15 HE1 LYS 15 -9.814 -6.534 -9.960
38 HZ1 LYS 15 HZ1 LYS 15 -9.389 -7.937 -12.545
39 HZ2 LYS 15 HZ2 LYS 15 -10.354 -6.562 -12.282
40 HZ3 LYS 15 HZ3 LYS 15 -10.794 -8.051 -11.601
41 H GLY 16 HN GLY 16 -5.188 -5.788 -6.879
42 HA2 GLY 16 HA2 GLY 16 -2.968 -5.298 -7.396
43 HA3 GLY 16 HA1 GLY 16 -3.479 -3.809 -8.173
44 H TRP 17 HN TRP 17 -5.083 -3.669 -5.377
45 HA TRP 17 HA TRP 17 -2.979 -2.134 -4.074
46 HB2 TRP 17 HB2 TRP 17 -5.923 -2.464 -3.525
47 HB3 TRP 17 HB1 TRP 17 -4.844 -1.645 -2.403
48 HD1 TRP 17 HD1 TRP 17 -6.012 -1.309 -6.096
49 HE1 TRP 17 HE1 TRP 17 -6.049 1.193 -6.665
50 HE3 TRP 17 HE3 TRP 17 -4.004 0.552 -1.760
51 HZ2 TRP 17 HZ2 TRP 17 -5.284 3.633 -5.474
52 HZ3 TRP 17 HZ3 TRP 17 -3.679 2.984 -1.572
53 HH2 TRP 17 HH2 TRP 17 -4.304 4.491 -3.393
54 H GLU 18 HN GLU 18 -1.682 -3.069 -2.749
55 HA GLU 18 HA GLU 18 -2.494 -5.606 -1.530
56 HB2 GLU 18 HB2 GLU 18 0.036 -4.563 -2.621
57 HB3 GLU 18 HB1 GLU 18 0.158 -5.636 -1.253
58 HG2 GLU 18 HG2 GLU 18 -1.152 -6.218 -3.886
59 HG3 GLU 18 HG1 GLU 18 0.350 -6.894 -3.265
60 H VAL 19 HN VAL 19 -2.065 -6.044 0.517
61 HA VAL 19 HA VAL 19 -1.510 -3.752 2.291
62 HB VAL 19 HB VAL 19 -3.277 -6.074 3.048
63 HG11 VAL 19 HG11 VAL 19 -4.069 -4.570 4.785
64 HG12 VAL 19 HG12 VAL 19 -2.992 -3.308 4.190
65 HG13 VAL 19 HG13 VAL 19 -2.321 -4.787 4.874
66 HG21 VAL 19 HG21 VAL 19 -4.157 -3.435 1.898
67 HG22 VAL 19 HG22 VAL 19 -5.223 -4.663 2.587
68 HG23 VAL 19 HG23 VAL 19 -4.304 -5.011 1.121
69 H ARG 20 HN ARG 20 0.633 -4.210 2.720
70 HA ARG 20 HA ARG 20 1.175 -6.879 3.842
71 HB2 ARG 20 HB2 ARG 20 2.432 -5.862 1.704
72 HB3 ARG 20 HB1 ARG 20 3.423 -5.141 2.974
73 HG2 ARG 20 HG2 ARG 20 3.487 -7.577 3.912
74 HG3 ARG 20 HG1 ARG 20 3.055 -8.011 2.258
75 HD2 ARG 20 HD2 ARG 20 5.514 -6.619 3.257
76 HD3 ARG 20 HD1 ARG 20 5.391 -8.107 2.322
77 HE ARG 20 HE ARG 20 4.668 -5.501 1.169
78 HH11 ARG 20 HH11 ARG 20 6.248 -8.604 0.910
79 HH12 ARG 20 HH12 ARG 20 7.018 -8.209 -0.608
80 HH21 ARG 20 HH21 ARG 20 5.739 -4.955 -0.755
81 HH22 ARG 20 HH22 ARG 20 6.736 -6.138 -1.548
82 H HIS 21 HN HIS 21 1.772 -7.002 5.928
83 HA HIS 21 HA HIS 21 2.161 -4.505 7.402
84 HB2 HIS 21 HB2 HIS 21 0.863 -6.841 8.042
85 HB3 HIS 21 HB1 HIS 21 2.416 -7.068 8.829
86 HD1 HIS 21 HD1 HIS 21 1.551 -7.008 11.125
87 HD2 HIS 21 HD2 HIS 21 0.584 -3.491 9.018
88 HE1 HIS 21 HE1 HIS 21 0.522 -5.458 12.808
89 HE2 HIS 21 HE2 HIS 21 -0.319 -3.513 11.452
90 H ALA 22 HN ALA 22 4.185 -3.742 7.365
91 HA ALA 22 HA ALA 22 6.477 -5.247 6.709
92 HB1 ALA 22 HB1 ALA 22 6.267 -2.563 8.081
93 HB2 ALA 22 HB2 ALA 22 6.307 -2.835 6.337
94 HB3 ALA 22 HB3 ALA 22 7.718 -3.222 7.323
95 HA PRO 23 HA PRO 23 7.912 -6.982 10.555
96 HB2 PRO 23 HB2 PRO 23 10.461 -5.486 10.336
97 HB3 PRO 23 HB1 PRO 23 10.180 -7.228 10.454
98 HG2 PRO 23 HG2 PRO 23 10.915 -6.106 8.146
99 HG3 PRO 23 HG1 PRO 23 9.751 -7.445 8.188
100 HD2 PRO 23 HD2 PRO 23 9.264 -4.516 7.818
101 HD3 PRO 23 HD1 PRO 23 8.484 -5.897 7.020
102 H ASN 24 HN ASN 24 7.999 -3.548 10.150
103 HA ASN 24 HA ASN 24 8.399 -2.978 12.950
104 HB2 ASN 24 HB2 ASN 24 7.841 -0.624 12.312
105 HB3 ASN 24 HB1 ASN 24 9.194 -1.293 11.413
106 HD21 ASN 24 HD21 ASN 24 8.916 0.259 9.799
107 HD22 ASN 24 HD22 ASN 24 7.630 0.160 8.647
108 H GLY 25 HN GLY 25 5.962 -4.112 11.031
109 HA2 GLY 25 HA2 GLY 25 3.862 -4.796 11.679
110 HA3 GLY 25 HA1 GLY 25 4.053 -3.892 13.156
111 H ARG 26 HN ARG 26 4.489 -2.571 9.969
112 HA ARG 26 HA ARG 26 1.968 -1.066 10.242
113 HB2 ARG 26 HB2 ARG 26 4.626 -0.385 9.046
114 HB3 ARG 26 HB1 ARG 26 3.184 0.326 8.345
115 HG2 ARG 26 HG2 ARG 26 4.184 1.845 9.915
116 HG3 ARG 26 HG1 ARG 26 2.623 1.306 10.520
117 HD2 ARG 26 HD2 ARG 26 3.657 -0.162 12.089
118 HD3 ARG 26 HD1 ARG 26 5.244 0.083 11.355
119 HE ARG 26 HE ARG 26 4.026 2.506 12.331
120 HH11 ARG 26 HH11 ARG 26 5.932 -0.284 13.268
121 HH12 ARG 26 HH12 ARG 26 6.804 0.571 14.507
122 HH21 ARG 26 HH21 ARG 26 5.124 3.610 13.970
123 HH22 ARG 26 HH22 ARG 26 6.321 2.785 14.931
124 HA PRO 27 HA PRO 27 0.976 -3.262 6.445
125 HB2 PRO 27 HB2 PRO 27 -1.640 -2.574 6.332
126 HB3 PRO 27 HB1 PRO 27 -1.052 -3.840 7.408
127 HG2 PRO 27 HG2 PRO 27 -1.924 -1.085 8.033
128 HG3 PRO 27 HG1 PRO 27 -1.943 -2.531 9.056
129 HD2 PRO 27 HD2 PRO 27 -0.041 -0.489 9.102
130 HD3 PRO 27 HD1 PRO 27 0.053 -1.955 9.980
131 H PHE 28 HN PHE 28 2.071 -2.100 4.993
132 HA PHE 28 HA PHE 28 1.114 0.541 4.229
133 HB2 PHE 28 HB2 PHE 28 3.215 0.697 2.920
134 HB3 PHE 28 HB1 PHE 28 3.497 0.416 4.624
135 HD1 PHE 28 HD2 PHE 28 3.652 -2.293 5.167
136 HD2 PHE 28 HD1 PHE 28 4.636 -0.381 1.482
137 HE1 PHE 28 HE2 PHE 28 5.148 -4.149 4.600
138 HE2 PHE 28 HE1 PHE 28 6.120 -2.253 0.918
139 HZ PHE 28 HZ PHE 28 6.382 -4.135 2.475
140 H PHE 29 HN PHE 29 -0.107 0.843 2.528
141 HA PHE 29 HA PHE 29 -0.840 -1.499 0.976
142 HB2 PHE 29 HB2 PHE 29 -2.099 1.259 0.994
143 HB3 PHE 29 HB1 PHE 29 -2.739 -0.184 0.209
144 HD1 PHE 29 HD2 PHE 29 -1.754 1.071 3.584
145 HD2 PHE 29 HD1 PHE 29 -4.280 -1.473 1.295
146 HE1 PHE 29 HE2 PHE 29 -3.008 0.487 5.618
147 HE2 PHE 29 HE1 PHE 29 -5.540 -2.053 3.324
148 HZ PHE 29 HZ PHE 29 -4.901 -1.077 5.485
149 H ILE 30 HN ILE 30 0.081 -1.870 -0.863
150 HA ILE 30 HA ILE 30 1.326 0.357 -2.313
151 HB ILE 30 HB ILE 30 1.692 -2.579 -2.912
152 HG12 ILE 30 HG12 ILE 30 3.543 -0.864 -1.321
153 HG13 ILE 30 HG11 ILE 30 2.355 -1.896 -0.545
154 HG21 ILE 30 HG21 ILE 30 3.335 -0.124 -3.554
155 HG22 ILE 30 HG22 ILE 30 2.300 -1.002 -4.681
156 HG23 ILE 30 HG23 ILE 30 3.734 -1.780 -4.011
157 HD11 ILE 30 HD11 ILE 30 4.601 -2.789 -2.340
158 HD12 ILE 30 HD12 ILE 30 3.395 -3.846 -1.606
159 HD13 ILE 30 HD13 ILE 30 4.530 -2.961 -0.587
160 H ASP 31 HN ASP 31 0.561 0.994 -4.174
161 HA ASP 31 HA ASP 31 -1.627 -0.492 -5.422
162 HB2 ASP 31 HB2 ASP 31 -2.012 1.877 -5.378
163 HB3 ASP 31 HB1 ASP 31 -0.414 2.208 -6.047
164 H HIS 32 HN HIS 32 -1.087 -2.086 -6.669
165 HA HIS 32 HA HIS 32 1.574 -2.187 -7.842
166 HB2 HIS 32 HB2 HIS 32 -0.621 -4.240 -7.483
167 HB3 HIS 32 HB1 HIS 32 0.872 -4.588 -8.338
168 HD1 HIS 32 HD1 HIS 32 1.863 -6.267 -6.640
169 HD2 HIS 32 HD2 HIS 32 0.807 -2.635 -4.907
170 HE1 HIS 32 HE1 HIS 32 2.794 -6.281 -4.270
171 HE2 HIS 32 HE2 HIS 32 1.899 -4.214 -3.221
172 H ASN 33 HN ASN 33 -1.167 -0.821 -8.760
173 HA ASN 33 HA ASN 33 -1.196 -1.724 -11.530
174 HB2 ASN 33 HB2 ASN 33 -2.770 0.533 -10.269
175 HB3 ASN 33 HB1 ASN 33 -3.040 -0.174 -11.854
176 HD21 ASN 33 HD21 ASN 33 -3.498 -0.481 -8.461
177 HD22 ASN 33 HD22 ASN 33 -4.564 -1.862 -8.523
178 H THR 34 HN THR 34 -1.093 1.501 -10.034
179 HA THR 34 HA THR 34 0.385 2.481 -12.376
180 HB THR 34 HB THR 34 -0.887 4.165 -10.215
181 HG1 THR 34 HG1 THR 34 -2.512 2.802 -11.062
182 HG21 THR 34 HG21 THR 34 0.623 5.300 -11.775
183 HG22 THR 34 HG22 THR 34 -1.046 5.819 -12.010
184 HG23 THR 34 HG23 THR 34 -0.311 4.677 -13.134
185 H LYS 35 HN LYS 35 0.823 1.494 -9.251
186 HA LYS 35 HA LYS 35 2.634 1.335 -7.927
187 HB2 LYS 35 HB2 LYS 35 4.069 3.154 -9.844
188 HB3 LYS 35 HB1 LYS 35 4.798 2.227 -8.538
189 HG2 LYS 35 HG2 LYS 35 3.752 0.187 -9.749
190 HG3 LYS 35 HG1 LYS 35 3.689 1.284 -11.135
191 HD2 LYS 35 HD2 LYS 35 6.098 1.764 -10.773
192 HD3 LYS 35 HD1 LYS 35 6.088 0.512 -9.523
193 HE2 LYS 35 HE2 LYS 35 5.605 -1.187 -11.107
194 HE3 LYS 35 HE1 LYS 35 5.208 -0.007 -12.354
195 HZ1 LYS 35 HZ1 LYS 35 7.345 -0.880 -12.830
196 HZ2 LYS 35 HZ2 LYS 35 7.891 -0.613 -11.249
197 HZ3 LYS 35 HZ3 LYS 35 7.574 0.705 -12.265
198 H THR 36 HN THR 36 1.914 2.178 -6.223
199 HA THR 36 HA THR 36 2.460 4.942 -5.534
200 HB THR 36 HB THR 36 -0.329 4.058 -4.959
201 HG1 THR 36 HG1 THR 36 -0.066 3.830 -7.274
202 HG21 THR 36 HG21 THR 36 0.938 6.740 -5.495
203 HG22 THR 36 HG22 THR 36 0.534 6.071 -3.914
204 HG23 THR 36 HG23 THR 36 -0.749 6.478 -5.054
205 H THR 37 HN THR 37 2.428 5.250 -3.241
206 HA THR 37 HA THR 37 1.960 2.824 -1.676
207 HB THR 37 HB THR 37 4.000 3.512 -0.276
208 HG1 THR 37 HG1 THR 37 5.536 4.732 -1.315
209 HG21 THR 37 HG21 THR 37 5.509 2.244 -1.738
210 HG22 THR 37 HG22 THR 37 4.361 2.424 -3.067
211 HG23 THR 37 HG23 THR 37 3.916 1.496 -1.635
212 H THR 38 HN THR 38 0.835 3.114 0.135
213 HA THR 38 HA THR 38 0.693 5.720 1.421
214 HB THR 38 HB THR 38 -1.005 5.749 -0.436
215 HG1 THR 38 HG1 THR 38 -1.317 6.513 2.063
216 HG21 THR 38 HG21 THR 38 -2.304 3.564 1.188
217 HG22 THR 38 HG22 THR 38 -1.640 3.411 -0.439
218 HG23 THR 38 HG23 THR 38 -3.058 4.423 -0.156
219 H TRP 39 HN TRP 39 -0.151 5.567 3.601
220 HA TRP 39 HA TRP 39 -0.149 2.811 4.648
221 HB2 TRP 39 HB2 TRP 39 -0.288 5.339 6.282
222 HB3 TRP 39 HB1 TRP 39 0.178 3.731 6.815
223 HD1 TRP 39 HD1 TRP 39 1.512 6.817 5.042
224 HE1 TRP 39 HE1 TRP 39 4.097 6.681 5.009
225 HE3 TRP 39 HE3 TRP 39 2.080 2.034 6.749
226 HZ2 TRP 39 HZ2 TRP 39 6.105 4.747 5.640
227 HZ3 TRP 39 HZ3 TRP 39 4.342 1.118 7.009
228 HH2 TRP 39 HH2 TRP 39 6.309 2.444 6.464
229 H GLU 40 HN GLU 40 -2.108 5.502 4.004
230 HA GLU 40 HA GLU 40 -4.175 4.782 5.888
231 HB2 GLU 40 HB2 GLU 40 -5.302 6.823 4.673
232 HB3 GLU 40 HB1 GLU 40 -4.012 7.070 5.841
233 HG2 GLU 40 HG2 GLU 40 -3.438 6.831 2.925
234 HG3 GLU 40 HG1 GLU 40 -3.924 8.365 3.635
235 H ASP 41 HN ASP 41 -5.879 3.690 5.464
236 HA ASP 41 HA ASP 41 -6.078 1.984 3.309
237 HB2 ASP 41 HB2 ASP 41 -8.296 2.893 5.147
238 HB3 ASP 41 HB1 ASP 41 -8.341 1.462 4.133
239 HA PRO 42 HA PRO 42 -7.811 4.565 0.097
240 HB2 PRO 42 HB2 PRO 42 -8.455 2.516 -1.600
241 HB3 PRO 42 HB1 PRO 42 -6.827 3.187 -1.447
242 HG2 PRO 42 HG2 PRO 42 -7.991 0.727 -0.196
243 HG3 PRO 42 HG1 PRO 42 -6.398 0.957 -0.942
244 HD2 PRO 42 HD2 PRO 42 -6.724 0.975 1.732
245 HD3 PRO 42 HD1 PRO 42 -5.534 2.022 0.929
246 H ARG 43 HN ARG 43 -9.361 2.258 2.024
247 HA ARG 43 HA ARG 43 -11.944 2.322 0.821
248 HB2 ARG 43 HB2 ARG 43 -10.938 1.418 3.508
249 HB3 ARG 43 HB1 ARG 43 -12.648 1.384 3.095
250 HG2 ARG 43 HG2 ARG 43 -10.433 -0.086 1.681
251 HG3 ARG 43 HG1 ARG 43 -11.667 -0.789 2.730
252 HD2 ARG 43 HD2 ARG 43 -12.086 0.558 0.063
253 HD3 ARG 43 HD1 ARG 43 -12.300 -1.153 0.436
254 HE ARG 43 HE ARG 43 -14.076 -0.211 2.076
255 HH11 ARG 43 HH11 ARG 43 -13.320 1.137 -1.074
256 HH12 ARG 43 HH12 ARG 43 -14.938 1.706 -1.352
257 HH21 ARG 43 HH21 ARG 43 -16.199 0.510 1.702
258 HH22 ARG 43 HH22 ARG 43 -16.589 1.319 0.215
259 H LEU 44 HN LEU 44 -10.213 4.588 2.577
260 HA LEU 44 HA LEU 44 -12.448 5.802 3.885
261 HB2 LEU 44 HB2 LEU 44 -9.676 6.875 3.390
262 HB3 LEU 44 HB1 LEU 44 -10.876 7.630 4.422
263 HG LEU 44 HG LEU 44 -9.600 4.932 4.888
264 HD11 LEU 44 HD11 LEU 44 -8.058 6.772 5.284
265 HD12 LEU 44 HD12 LEU 44 -8.545 6.025 6.807
266 HD13 LEU 44 HD13 LEU 44 -9.251 7.565 6.313
267 HD21 LEU 44 HD21 LEU 44 -10.753 4.995 7.042
268 HD22 LEU 44 HD22 LEU 44 -11.893 4.994 5.696
269 HD23 LEU 44 HD23 LEU 44 -11.557 6.492 6.566
270 H LYS 45 HN LYS 45 -11.437 5.657 0.810
271 HA LYS 45 HA LYS 45 -12.552 8.265 0.077
272 HB2 LYS 45 HB2 LYS 45 -10.327 7.880 -0.822
273 HB3 LYS 45 HB1 LYS 45 -10.849 6.359 -1.538
274 HG2 LYS 45 HG2 LYS 45 -10.705 8.168 -3.182
275 HG3 LYS 45 HG1 LYS 45 -12.340 7.522 -3.030
276 HD2 LYS 45 HD2 LYS 45 -12.553 9.487 -1.259
277 HD3 LYS 45 HD1 LYS 45 -11.260 10.179 -2.239
278 HE2 LYS 45 HE2 LYS 45 -13.451 10.924 -3.014
279 HE3 LYS 45 HE1 LYS 45 -12.633 9.952 -4.236
280 HZ1 LYS 45 HZ1 LYS 45 -13.980 8.074 -3.668
281 HZ2 LYS 45 HZ2 LYS 45 -15.005 9.394 -3.960
282 HZ3 LYS 45 HZ3 LYS 45 -14.687 8.899 -2.370
283 H GLN 112 H GLN 112 7.514 5.653 8.110
284 HA GLN 112 HA GLN 112 6.285 8.019 6.836
285 HB2 GLN 112 HB2 GLN 112 7.807 8.523 8.787
286 HB3 GLN 112 HB1 GLN 112 9.100 7.728 7.903
287 HG2 GLN 112 HG2 GLN 112 7.798 9.730 6.283
288 HG3 GLN 112 HG1 GLN 112 8.396 10.408 7.793
289 HE21 GLN 112 HE21 GLN 112 9.980 11.604 6.768
290 HE22 GLN 112 HE22 GLN 112 11.388 10.875 6.060
291 H ILE 113 HN ILE 113 6.268 7.759 4.736
292 HA ILE 113 HA ILE 113 6.809 7.202 2.615
293 HB ILE 113 HB ILE 113 9.563 6.632 3.722
294 HG12 ILE 113 HG12 ILE 113 8.450 9.026 2.239
295 HG13 ILE 113 HG11 ILE 113 8.813 8.972 3.962
296 HG21 ILE 113 HG21 ILE 113 9.200 5.428 1.634
297 HG22 ILE 113 HG22 ILE 113 10.322 6.767 1.394
298 HG23 ILE 113 HG23 ILE 113 8.648 6.914 0.861
299 HD11 ILE 113 HD11 ILE 113 10.560 10.124 2.751
300 HD12 ILE 113 HD12 ILE 113 10.800 8.719 1.713
301 HD13 ILE 113 HD13 ILE 113 11.182 8.621 3.432
302 HA PRO 114 HA PRO 114 5.949 2.790 3.241
303 HB2 PRO 114 HB2 PRO 114 4.203 3.037 0.950
304 HB3 PRO 114 HB1 PRO 114 3.784 2.694 2.629
305 HG2 PRO 114 HG2 PRO 114 3.148 5.023 1.344
306 HG3 PRO 114 HG1 PRO 114 3.344 4.881 3.098
307 HD2 PRO 114 HD2 PRO 114 5.238 5.961 1.058
308 HD3 PRO 114 HD1 PRO 114 4.911 6.518 2.713
309 HA PRO 115 HA PRO 115 8.904 1.618 -0.018
310 HB2 PRO 115 HB2 PRO 115 8.273 -1.032 1.154
311 HB3 PRO 115 HB1 PRO 115 9.835 -0.281 0.852
312 HG2 PRO 115 HG2 PRO 115 8.888 -0.487 3.325
313 HG3 PRO 115 HG1 PRO 115 9.767 0.965 2.812
314 HD2 PRO 115 HD2 PRO 115 6.825 0.548 3.153
315 HD3 PRO 115 HD1 PRO 115 7.827 1.961 3.553
316 HA PRO 116 HA PRO 116 5.897 0.275 -3.156
317 HB2 PRO 116 HB2 PRO 116 8.088 -0.385 -4.806
318 HB3 PRO 116 HB1 PRO 116 7.149 1.116 -4.848
319 HG2 PRO 116 HG2 PRO 116 9.658 0.489 -3.356
320 HG3 PRO 116 HG1 PRO 116 9.232 1.956 -4.278
321 HD2 PRO 116 HD2 PRO 116 8.942 2.072 -1.757
322 HD3 PRO 116 HD1 PRO 116 7.561 2.526 -2.728
323 H TYR 117 HN TYR 117 6.187 -1.148 -4.591
324 HA TYR 117 HA TYR 117 6.469 -3.863 -3.449
325 HB2 TYR 117 HB2 TYR 117 4.722 -4.593 -4.748
326 HB3 TYR 117 HB1 TYR 117 4.278 -2.901 -4.590
327 HD1 TYR 117 HD2 TYR 117 4.545 -1.368 -6.526
328 HD2 TYR 117 HD1 TYR 117 5.382 -5.528 -6.824
329 HE1 TYR 117 HE2 TYR 117 4.491 -1.203 -8.978
330 HE2 TYR 117 HE1 TYR 117 5.336 -5.380 -9.265
331 HH TYR 117 HH TYR 117 4.406 -3.943 -11.010
332 H VAL 118 HN VAL 118 7.855 -5.327 -4.246
333 HA VAL 118 HA VAL 118 9.225 -4.694 -6.785
334 HB VAL 118 HB VAL 118 10.712 -4.647 -4.767
335 HG11 VAL 118 HG11 VAL 118 11.331 -6.769 -3.706
336 HG12 VAL 118 HG12 VAL 118 10.063 -7.585 -4.619
337 HG13 VAL 118 HG13 VAL 118 9.641 -6.355 -3.429
338 HG21 VAL 118 HG21 VAL 118 11.653 -5.092 -6.952
339 HG22 VAL 118 HG22 VAL 118 11.289 -6.809 -6.783
340 HG23 VAL 118 HG23 VAL 118 12.482 -6.053 -5.726
341 H GLU 119 HN GLU 119 7.152 -6.701 -5.104
342 HA GLU 119 HA GLU 119 7.681 -9.130 -6.570
343 HB2 GLU 119 HB2 GLU 119 5.380 -9.711 -5.356
344 HB3 GLU 119 HB1 GLU 119 6.919 -9.767 -4.529
345 HG2 GLU 119 HG2 GLU 119 5.203 -7.311 -4.473
346 HG3 GLU 119 HG1 GLU 119 4.967 -8.630 -3.323
347 HA PRO 120 HA PRO 120 5.035 -7.762 -9.924
348 HB2 PRO 120 HB2 PRO 120 5.770 -10.302 -11.164
349 HB3 PRO 120 HB1 PRO 120 6.155 -8.658 -11.681
350 HG2 PRO 120 HG2 PRO 120 8.026 -10.359 -10.709
351 HG3 PRO 120 HG1 PRO 120 8.118 -8.601 -10.501
352 HD2 PRO 120 HD2 PRO 120 7.222 -10.694 -8.553
353 HD3 PRO 120 HD1 PRO 120 8.231 -9.257 -8.281
Start of MODEL 17
1 H PHE 12 H PHE 12 -12.597 -6.174 -0.853
2 HA PHE 12 HA PHE 12 -14.782 -4.676 -2.154
3 HB2 PHE 12 HB2 PHE 12 -15.335 -5.601 0.097
4 HB3 PHE 12 HB1 PHE 12 -13.950 -4.741 0.756
5 HD1 PHE 12 HD1 PHE 12 -17.055 -4.089 -1.207
6 HD2 PHE 12 HD2 PHE 12 -14.293 -2.676 1.709
7 HE1 PHE 12 HE1 PHE 12 -18.473 -2.115 -0.825
8 HE2 PHE 12 HE2 PHE 12 -15.707 -0.700 2.094
9 HZ PHE 12 HZ PHE 12 -17.799 -0.418 0.827
10 H LEU 13 HN LEU 13 -11.566 -4.847 -1.941
11 HA LEU 13 HA LEU 13 -11.290 -1.920 -1.881
12 HB2 LEU 13 HB2 LEU 13 -9.073 -2.135 -0.951
13 HB3 LEU 13 HB1 LEU 13 -10.232 -2.941 0.084
14 HG LEU 13 HG LEU 13 -9.370 -5.028 -1.428
15 HD11 LEU 13 HD11 LEU 13 -6.941 -4.885 -1.579
16 HD12 LEU 13 HD12 LEU 13 -7.005 -3.203 -1.052
17 HD13 LEU 13 HD13 LEU 13 -7.719 -3.673 -2.594
18 HD21 LEU 13 HD21 LEU 13 -8.110 -3.978 1.103
19 HD22 LEU 13 HD22 LEU 13 -8.031 -5.639 0.517
20 HD23 LEU 13 HD23 LEU 13 -9.578 -4.951 1.008
21 HA PRO 14 HA PRO 14 -9.907 -1.722 -5.969
22 HB2 PRO 14 HB2 PRO 14 -7.434 -0.476 -4.916
23 HB3 PRO 14 HB1 PRO 14 -8.466 0.019 -6.264
24 HG2 PRO 14 HG2 PRO 14 -8.665 1.206 -4.036
25 HG3 PRO 14 HG1 PRO 14 -10.149 0.757 -4.838
26 HD2 PRO 14 HD2 PRO 14 -8.812 -0.509 -2.471
27 HD3 PRO 14 HD1 PRO 14 -10.547 -0.254 -2.771
28 H LYS 15 HN LYS 15 -8.641 -2.321 -7.426
29 HA LYS 15 HA LYS 15 -7.452 -4.922 -6.984
30 HB2 LYS 15 HB2 LYS 15 -7.770 -3.245 -9.471
31 HB3 LYS 15 HB1 LYS 15 -7.037 -4.842 -9.466
32 HG2 LYS 15 HG2 LYS 15 -9.129 -5.799 -8.644
33 HG3 LYS 15 HG1 LYS 15 -9.863 -4.192 -8.659
34 HD2 LYS 15 HD2 LYS 15 -10.486 -5.384 -10.672
35 HD3 LYS 15 HD1 LYS 15 -9.406 -4.046 -11.074
36 HE2 LYS 15 HE2 LYS 15 -7.514 -5.695 -11.056
37 HE3 LYS 15 HE1 LYS 15 -8.722 -6.972 -10.916
38 HZ1 LYS 15 HZ1 LYS 15 -8.087 -6.668 -13.209
39 HZ2 LYS 15 HZ2 LYS 15 -8.478 -5.023 -13.141
40 HZ3 LYS 15 HZ3 LYS 15 -9.704 -6.189 -13.005
41 H GLY 16 HN GLY 16 -5.328 -5.519 -7.244
42 HA2 GLY 16 HA2 GLY 16 -3.040 -5.285 -7.282
43 HA3 GLY 16 HA1 GLY 16 -3.258 -3.727 -8.065
44 H TRP 17 HN TRP 17 -5.048 -3.692 -5.279
45 HA TRP 17 HA TRP 17 -2.999 -2.171 -3.890
46 HB2 TRP 17 HB2 TRP 17 -5.961 -2.452 -3.633
47 HB3 TRP 17 HB1 TRP 17 -5.042 -1.906 -2.234
48 HD1 TRP 17 HD1 TRP 17 -5.589 -0.898 -5.943
49 HE1 TRP 17 HE1 TRP 17 -5.367 1.655 -6.103
50 HE3 TRP 17 HE3 TRP 17 -4.273 0.113 -1.108
51 HZ2 TRP 17 HZ2 TRP 17 -4.717 3.819 -4.412
52 HZ3 TRP 17 HZ3 TRP 17 -3.870 2.449 -0.463
53 HH2 TRP 17 HH2 TRP 17 -4.087 4.266 -2.080
54 H GLU 18 HN GLU 18 -1.682 -3.154 -2.600
55 HA GLU 18 HA GLU 18 -2.548 -5.643 -1.300
56 HB2 GLU 18 HB2 GLU 18 -0.009 -4.730 -2.483
57 HB3 GLU 18 HB1 GLU 18 0.125 -5.692 -1.028
58 HG2 GLU 18 HG2 GLU 18 -1.369 -6.504 -3.504
59 HG3 GLU 18 HG1 GLU 18 0.259 -7.005 -3.075
60 H VAL 19 HN VAL 19 -2.012 -6.042 0.780
61 HA VAL 19 HA VAL 19 -1.339 -3.678 2.410
62 HB VAL 19 HB VAL 19 -3.010 -5.989 3.390
63 HG11 VAL 19 HG11 VAL 19 -1.902 -4.677 5.111
64 HG12 VAL 19 HG12 VAL 19 -3.647 -4.419 5.158
65 HG13 VAL 19 HG13 VAL 19 -2.594 -3.196 4.444
66 HG21 VAL 19 HG21 VAL 19 -4.004 -3.367 2.283
67 HG22 VAL 19 HG22 VAL 19 -4.994 -4.591 3.082
68 HG23 VAL 19 HG23 VAL 19 -4.212 -4.955 1.544
69 H ARG 20 HN ARG 20 0.807 -4.044 2.726
70 HA ARG 20 HA ARG 20 1.545 -6.688 3.785
71 HB2 ARG 20 HB2 ARG 20 2.628 -5.848 1.612
72 HB3 ARG 20 HB1 ARG 20 3.470 -4.682 2.634
73 HG2 ARG 20 HG2 ARG 20 4.971 -6.445 2.442
74 HG3 ARG 20 HG1 ARG 20 4.220 -6.704 4.007
75 HD2 ARG 20 HD2 ARG 20 4.406 -8.789 2.716
76 HD3 ARG 20 HD1 ARG 20 2.729 -8.362 3.064
77 HE ARG 20 HE ARG 20 3.961 -7.737 0.461
78 HH11 ARG 20 HH11 ARG 20 1.456 -9.283 2.351
79 HH12 ARG 20 HH12 ARG 20 0.467 -9.651 0.976
80 HH21 ARG 20 HH21 ARG 20 2.643 -8.196 -1.361
81 HH22 ARG 20 HH22 ARG 20 1.108 -8.990 -1.117
82 H HIS 21 HN HIS 21 2.827 -6.793 5.614
83 HA HIS 21 HA HIS 21 2.810 -4.356 7.275
84 HB2 HIS 21 HB2 HIS 21 2.227 -7.109 7.807
85 HB3 HIS 21 HB1 HIS 21 3.655 -6.673 8.722
86 HD1 HIS 21 HD1 HIS 21 1.718 -7.432 10.532
87 HD2 HIS 21 HD2 HIS 21 1.435 -3.534 8.952
88 HE1 HIS 21 HE1 HIS 21 0.224 -6.155 12.083
89 HE2 HIS 21 HE2 HIS 21 -0.168 -3.961 10.935
90 H ALA 22 HN ALA 22 4.707 -3.298 7.143
91 HA ALA 22 HA ALA 22 7.148 -4.465 6.311
92 HB1 ALA 22 HB1 ALA 22 8.160 -2.340 6.987
93 HB2 ALA 22 HB2 ALA 22 6.679 -1.898 7.836
94 HB3 ALA 22 HB3 ALA 22 6.672 -2.070 6.081
95 HA PRO 23 HA PRO 23 8.764 -6.411 9.891
96 HB2 PRO 23 HB2 PRO 23 11.256 -4.819 9.701
97 HB3 PRO 23 HB1 PRO 23 11.030 -6.571 9.665
98 HG2 PRO 23 HG2 PRO 23 11.617 -5.229 7.443
99 HG3 PRO 23 HG1 PRO 23 10.473 -6.586 7.415
100 HD2 PRO 23 HD2 PRO 23 9.925 -3.641 7.372
101 HD3 PRO 23 HD1 PRO 23 9.138 -4.948 6.461
102 H ASN 24 HN ASN 24 8.549 -2.985 9.871
103 HA ASN 24 HA ASN 24 9.247 -2.647 12.649
104 HB2 ASN 24 HB2 ASN 24 8.679 -0.330 12.373
105 HB3 ASN 24 HB1 ASN 24 9.593 -0.825 10.956
106 HD21 ASN 24 HD21 ASN 24 7.792 1.407 11.288
107 HD22 ASN 24 HD22 ASN 24 6.543 1.212 10.101
108 H GLY 25 HN GLY 25 6.638 -3.747 10.875
109 HA2 GLY 25 HA2 GLY 25 4.831 -4.841 11.923
110 HA3 GLY 25 HA1 GLY 25 5.047 -3.789 13.305
111 H ARG 26 HN ARG 26 4.979 -2.438 10.110
112 HA ARG 26 HA ARG 26 2.249 -1.453 10.633
113 HB2 ARG 26 HB2 ARG 26 4.619 0.013 9.457
114 HB3 ARG 26 HB1 ARG 26 2.967 0.606 9.340
115 HG2 ARG 26 HG2 ARG 26 4.461 0.081 11.904
116 HG3 ARG 26 HG1 ARG 26 4.175 1.665 11.176
117 HD2 ARG 26 HD2 ARG 26 2.067 -0.255 12.173
118 HD3 ARG 26 HD1 ARG 26 2.579 1.233 12.968
119 HE ARG 26 HE ARG 26 1.801 2.187 10.614
120 HH11 ARG 26 HH11 ARG 26 0.237 -0.156 12.718
121 HH12 ARG 26 HH12 ARG 26 -1.373 0.279 12.213
122 HH21 ARG 26 HH21 ARG 26 -0.303 2.737 9.940
123 HH22 ARG 26 HH22 ARG 26 -1.679 1.915 10.614
124 HA PRO 27 HA PRO 27 1.439 -2.965 6.493
125 HB2 PRO 27 HB2 PRO 27 -1.140 -2.285 6.342
126 HB3 PRO 27 HB1 PRO 27 -0.626 -3.551 7.463
127 HG2 PRO 27 HG2 PRO 27 -1.144 -0.643 8.023
128 HG3 PRO 27 HG1 PRO 27 -1.740 -2.065 8.908
129 HD2 PRO 27 HD2 PRO 27 0.448 -0.728 9.719
130 HD3 PRO 27 HD1 PRO 27 0.282 -2.418 9.951
131 H PHE 28 HN PHE 28 2.264 -1.885 4.916
132 HA PHE 28 HA PHE 28 1.282 0.790 4.255
133 HB2 PHE 28 HB2 PHE 28 3.284 0.926 2.765
134 HB3 PHE 28 HB1 PHE 28 3.691 0.760 4.462
135 HD1 PHE 28 HD1 PHE 28 3.782 -1.982 5.079
136 HD2 PHE 28 HD2 PHE 28 4.792 -0.123 1.381
137 HE1 PHE 28 HE1 PHE 28 5.280 -3.852 4.548
138 HE2 PHE 28 HE2 PHE 28 6.275 -2.006 0.847
139 HZ PHE 28 HZ PHE 28 6.524 -3.871 2.428
140 H PHE 29 HN PHE 29 -0.043 0.988 2.592
141 HA PHE 29 HA PHE 29 -0.801 -1.460 1.216
142 HB2 PHE 29 HB2 PHE 29 -2.112 1.274 1.180
143 HB3 PHE 29 HB1 PHE 29 -2.751 -0.192 0.440
144 HD1 PHE 29 HD2 PHE 29 -1.624 1.058 3.777
145 HD2 PHE 29 HD1 PHE 29 -4.303 -1.405 1.575
146 HE1 PHE 29 HE2 PHE 29 -2.812 0.497 5.857
147 HE2 PHE 29 HE1 PHE 29 -5.497 -1.967 3.648
148 HZ PHE 29 HZ PHE 29 -4.749 -1.020 5.790
149 H ILE 30 HN ILE 30 0.103 -1.917 -0.612
150 HA ILE 30 HA ILE 30 1.386 0.213 -2.128
151 HB ILE 30 HB ILE 30 1.576 -2.734 -2.719
152 HG12 ILE 30 HG12 ILE 30 3.462 -1.090 -1.065
153 HG13 ILE 30 HG11 ILE 30 2.277 -2.180 -0.363
154 HG21 ILE 30 HG21 ILE 30 3.341 -0.369 -3.368
155 HG22 ILE 30 HG22 ILE 30 2.273 -1.208 -4.492
156 HG23 ILE 30 HG23 ILE 30 3.671 -2.043 -3.813
157 HD11 ILE 30 HD11 ILE 30 3.357 -4.057 -1.499
158 HD12 ILE 30 HD12 ILE 30 4.472 -3.206 -0.429
159 HD13 ILE 30 HD13 ILE 30 4.554 -2.951 -2.173
160 H ASP 31 HN ASP 31 0.561 0.991 -3.836
161 HA ASP 31 HA ASP 31 -1.607 -0.362 -5.244
162 HB2 ASP 31 HB2 ASP 31 -2.104 1.915 -5.127
163 HB3 ASP 31 HB1 ASP 31 -0.425 2.395 -5.353
164 H HIS 32 HN HIS 32 -0.942 -1.931 -6.498
165 HA HIS 32 HA HIS 32 1.733 -1.901 -7.607
166 HB2 HIS 32 HB2 HIS 32 -0.453 -3.997 -7.619
167 HB3 HIS 32 HB1 HIS 32 1.119 -4.233 -8.366
168 HD1 HIS 32 HD1 HIS 32 2.163 -5.977 -6.816
169 HD2 HIS 32 HD2 HIS 32 0.548 -2.746 -4.749
170 HE1 HIS 32 HE1 HIS 32 2.774 -6.303 -4.367
171 HE2 HIS 32 HE2 HIS 32 1.577 -4.480 -3.161
172 H ASN 33 HN ASN 33 -1.031 -0.515 -8.566
173 HA ASN 33 HA ASN 33 -0.885 -1.233 -11.389
174 HB2 ASN 33 HB2 ASN 33 -2.618 0.906 -10.144
175 HB3 ASN 33 HB1 ASN 33 -2.832 0.129 -11.707
176 HD21 ASN 33 HD21 ASN 33 -3.263 -0.102 -8.299
177 HD22 ASN 33 HD22 ASN 33 -4.277 -1.519 -8.312
178 H THR 34 HN THR 34 -0.716 1.763 -9.456
179 HA THR 34 HA THR 34 0.646 3.071 -11.707
180 HB THR 34 HB THR 34 -0.260 4.570 -9.282
181 HG1 THR 34 HG1 THR 34 -2.127 3.498 -9.634
182 HG21 THR 34 HG21 THR 34 -0.308 5.179 -12.243
183 HG22 THR 34 HG22 THR 34 0.899 5.749 -11.090
184 HG23 THR 34 HG23 THR 34 -0.773 6.292 -10.955
185 H LYS 35 HN LYS 35 1.452 1.407 -9.033
186 HA LYS 35 HA LYS 35 3.379 1.118 -7.870
187 HB2 LYS 35 HB2 LYS 35 4.388 3.222 -9.780
188 HB3 LYS 35 HB1 LYS 35 5.404 2.524 -8.533
189 HG2 LYS 35 HG2 LYS 35 5.881 1.380 -10.544
190 HG3 LYS 35 HG1 LYS 35 4.944 0.278 -9.538
191 HD2 LYS 35 HD2 LYS 35 2.939 0.785 -10.818
192 HD3 LYS 35 HD1 LYS 35 3.836 1.952 -11.790
193 HE2 LYS 35 HE2 LYS 35 4.358 -1.015 -11.649
194 HE3 LYS 35 HE1 LYS 35 3.563 -0.166 -12.974
195 HZ1 LYS 35 HZ1 LYS 35 5.869 -0.588 -13.494
196 HZ2 LYS 35 HZ2 LYS 35 6.374 0.223 -12.093
197 HZ3 LYS 35 HZ3 LYS 35 5.612 1.085 -13.339
198 H THR 36 HN THR 36 1.289 2.880 -7.005
199 HA THR 36 HA THR 36 2.661 5.084 -5.647
200 HB THR 36 HB THR 36 -0.219 4.522 -5.172
201 HG1 THR 36 HG1 THR 36 -0.212 4.313 -7.392
202 HG21 THR 36 HG21 THR 36 -0.341 6.974 -5.214
203 HG22 THR 36 HG22 THR 36 1.369 7.043 -5.643
204 HG23 THR 36 HG23 THR 36 0.877 6.403 -4.074
205 H THR 37 HN THR 37 2.614 5.296 -3.352
206 HA THR 37 HA THR 37 1.843 2.876 -1.889
207 HB THR 37 HB THR 37 3.885 3.297 -0.416
208 HG1 THR 37 HG1 THR 37 5.598 4.380 -1.450
209 HG21 THR 37 HG21 THR 37 5.340 1.986 -1.892
210 HG22 THR 37 HG22 THR 37 4.279 2.349 -3.253
211 HG23 THR 37 HG23 THR 37 3.683 1.377 -1.908
212 H THR 38 HN THR 38 0.842 3.190 0.020
213 HA THR 38 HA THR 38 0.894 5.792 1.319
214 HB THR 38 HB THR 38 -0.890 6.054 -0.340
215 HG1 THR 38 HG1 THR 38 -2.708 6.093 1.437
216 HG21 THR 38 HG21 THR 38 -1.480 3.707 -0.652
217 HG22 THR 38 HG22 THR 38 -2.906 4.666 -0.255
218 HG23 THR 38 HG23 THR 38 -2.155 3.653 0.976
219 H TRP 39 HN TRP 39 0.150 5.691 3.524
220 HA TRP 39 HA TRP 39 0.176 2.969 4.607
221 HB2 TRP 39 HB2 TRP 39 0.042 5.577 6.126
222 HB3 TRP 39 HB1 TRP 39 0.396 3.988 6.789
223 HD1 TRP 39 HD1 TRP 39 1.946 6.899 4.999
224 HE1 TRP 39 HE1 TRP 39 4.514 6.557 4.898
225 HE3 TRP 39 HE3 TRP 39 2.177 2.083 6.655
226 HZ2 TRP 39 HZ2 TRP 39 6.373 4.487 5.453
227 HZ3 TRP 39 HZ3 TRP 39 4.366 0.988 6.857
228 HH2 TRP 39 HH2 TRP 39 6.418 2.160 6.277
229 H GLU 40 HN GLU 40 -2.037 5.314 3.677
230 HA GLU 40 HA GLU 40 -3.914 4.623 5.770
231 HB2 GLU 40 HB2 GLU 40 -5.265 6.503 4.890
232 HB3 GLU 40 HB1 GLU 40 -3.645 6.948 5.417
233 HG2 GLU 40 HG2 GLU 40 -4.052 8.169 3.495
234 HG3 GLU 40 HG1 GLU 40 -2.958 6.884 3.011
235 H ASP 41 HN ASP 41 -6.212 4.307 5.120
236 HA ASP 41 HA ASP 41 -6.019 1.864 3.557
237 HB2 ASP 41 HB2 ASP 41 -8.243 2.853 5.351
238 HB3 ASP 41 HB1 ASP 41 -8.154 1.259 4.623
239 HA PRO 42 HA PRO 42 -8.231 3.596 0.074
240 HB2 PRO 42 HB2 PRO 42 -8.877 1.198 -1.086
241 HB3 PRO 42 HB1 PRO 42 -7.308 1.994 -1.270
242 HG2 PRO 42 HG2 PRO 42 -8.107 -0.224 0.567
243 HG3 PRO 42 HG1 PRO 42 -6.622 -0.031 -0.384
244 HD2 PRO 42 HD2 PRO 42 -6.696 0.502 2.260
245 HD3 PRO 42 HD1 PRO 42 -5.689 1.449 1.145
246 H ARG 43 HN ARG 43 -9.433 1.641 2.573
247 HA ARG 43 HA ARG 43 -12.092 1.204 1.783
248 HB2 ARG 43 HB2 ARG 43 -11.073 1.766 4.575
249 HB3 ARG 43 HB1 ARG 43 -12.588 0.977 4.160
250 HG2 ARG 43 HG2 ARG 43 -9.880 -0.111 3.434
251 HG3 ARG 43 HG1 ARG 43 -10.766 -0.557 4.894
252 HD2 ARG 43 HD2 ARG 43 -11.899 -0.848 2.120
253 HD3 ARG 43 HD1 ARG 43 -11.005 -2.131 2.937
254 HE ARG 43 HE ARG 43 -13.588 -1.015 3.842
255 HH11 ARG 43 HH11 ARG 43 -11.185 -3.567 3.807
256 HH12 ARG 43 HH12 ARG 43 -12.197 -4.706 4.646
257 HH21 ARG 43 HH21 ARG 43 -14.915 -2.498 4.945
258 HH22 ARG 43 HH22 ARG 43 -14.329 -4.097 5.295
259 H LEU 44 HN LEU 44 -10.411 4.037 2.790
260 HA LEU 44 HA LEU 44 -12.756 5.580 3.381
261 HB2 LEU 44 HB2 LEU 44 -9.901 6.440 2.945
262 HB3 LEU 44 HB1 LEU 44 -11.183 7.482 3.528
263 HG LEU 44 HG LEU 44 -10.152 5.039 4.974
264 HD11 LEU 44 HD11 LEU 44 -8.484 6.812 4.903
265 HD12 LEU 44 HD12 LEU 44 -9.149 6.636 6.527
266 HD13 LEU 44 HD13 LEU 44 -9.674 7.970 5.499
267 HD21 LEU 44 HD21 LEU 44 -11.478 5.890 6.849
268 HD22 LEU 44 HD22 LEU 44 -12.491 5.505 5.458
269 HD23 LEU 44 HD23 LEU 44 -12.095 7.186 5.823
270 H LYS 45 HN LYS 45 -11.377 4.497 0.658
271 HA LYS 45 HA LYS 45 -12.279 6.760 -0.993
272 HB2 LYS 45 HB2 LYS 45 -10.107 4.718 -1.514
273 HB3 LYS 45 HB1 LYS 45 -10.662 5.896 -2.696
274 HG2 LYS 45 HG2 LYS 45 -9.783 7.694 -1.489
275 HG3 LYS 45 HG1 LYS 45 -9.617 6.734 -0.017
276 HD2 LYS 45 HD2 LYS 45 -7.809 5.484 -0.949
277 HD3 LYS 45 HD1 LYS 45 -8.073 6.189 -2.545
278 HE2 LYS 45 HE2 LYS 45 -6.146 7.164 -1.313
279 HE3 LYS 45 HE1 LYS 45 -7.368 8.344 -1.783
280 HZ1 LYS 45 HZ1 LYS 45 -6.704 8.791 0.441
281 HZ2 LYS 45 HZ2 LYS 45 -6.936 7.185 0.925
282 HZ3 LYS 45 HZ3 LYS 45 -8.271 8.155 0.512
283 H GLN 112 H GLN 112 8.820 7.498 6.790
284 HA GLN 112 HA GLN 112 6.895 9.235 5.384
285 HB2 GLN 112 HB2 GLN 112 8.873 10.463 4.527
286 HB3 GLN 112 HB1 GLN 112 8.632 10.666 6.252
287 HG2 GLN 112 HG2 GLN 112 10.565 8.650 5.153
288 HG3 GLN 112 HG1 GLN 112 11.013 10.336 5.403
289 HE21 GLN 112 HE21 GLN 112 11.107 11.153 7.503
290 HE22 GLN 112 HE22 GLN 112 11.210 10.114 8.884
291 H ILE 113 HN ILE 113 6.424 8.541 3.443
292 HA ILE 113 HA ILE 113 6.438 7.457 1.465
293 HB ILE 113 HB ILE 113 9.432 7.429 1.841
294 HG12 ILE 113 HG12 ILE 113 8.491 9.681 1.794
295 HG13 ILE 113 HG11 ILE 113 9.371 9.361 0.302
296 HG21 ILE 113 HG21 ILE 113 9.557 7.067 -0.578
297 HG22 ILE 113 HG22 ILE 113 7.800 6.928 -0.648
298 HG23 ILE 113 HG23 ILE 113 8.746 5.728 0.234
299 HD11 ILE 113 HD11 ILE 113 7.254 8.927 -0.842
300 HD12 ILE 113 HD12 ILE 113 7.305 10.545 -0.144
301 HD13 ILE 113 HD13 ILE 113 6.383 9.269 0.652
302 HA PRO 114 HA PRO 114 6.406 3.185 2.990
303 HB2 PRO 114 HB2 PRO 114 4.322 2.913 0.956
304 HB3 PRO 114 HB1 PRO 114 4.223 2.641 2.697
305 HG2 PRO 114 HG2 PRO 114 3.005 4.723 1.477
306 HG3 PRO 114 HG1 PRO 114 3.621 4.813 3.136
307 HD2 PRO 114 HD2 PRO 114 4.829 5.856 0.609
308 HD3 PRO 114 HD1 PRO 114 4.759 6.602 2.216
309 HA PRO 115 HA PRO 115 8.993 1.705 -0.443
310 HB2 PRO 115 HB2 PRO 115 8.379 -0.862 0.931
311 HB3 PRO 115 HB1 PRO 115 9.933 -0.205 0.424
312 HG2 PRO 115 HG2 PRO 115 9.246 -0.204 2.984
313 HG3 PRO 115 HG1 PRO 115 10.102 1.181 2.279
314 HD2 PRO 115 HD2 PRO 115 7.210 0.892 2.976
315 HD3 PRO 115 HD1 PRO 115 8.281 2.301 3.132
316 HA PRO 116 HA PRO 116 5.810 0.248 -3.327
317 HB2 PRO 116 HB2 PRO 116 7.883 -0.715 -4.982
318 HB3 PRO 116 HB1 PRO 116 7.036 0.833 -5.142
319 HG2 PRO 116 HG2 PRO 116 9.567 0.191 -3.692
320 HG3 PRO 116 HG1 PRO 116 9.182 1.590 -4.731
321 HD2 PRO 116 HD2 PRO 116 9.011 1.956 -2.222
322 HD3 PRO 116 HD1 PRO 116 7.619 2.402 -3.178
323 H TYR 117 HN TYR 117 5.949 -1.334 -4.637
324 HA TYR 117 HA TYR 117 5.631 -3.832 -3.224
325 HB2 TYR 117 HB2 TYR 117 4.662 -4.740 -5.253
326 HB3 TYR 117 HB1 TYR 117 4.007 -3.140 -4.946
327 HD1 TYR 117 HD2 TYR 117 5.038 -1.178 -6.302
328 HD2 TYR 117 HD1 TYR 117 5.547 -5.279 -7.315
329 HE1 TYR 117 HE2 TYR 117 5.603 -0.538 -8.605
330 HE2 TYR 117 HE1 TYR 117 6.107 -4.649 -9.620
331 HH TYR 117 HH TYR 117 5.753 -2.817 -11.159
332 H VAL 118 HN VAL 118 7.188 -5.293 -2.897
333 HA VAL 118 HA VAL 118 9.598 -5.250 -4.523
334 HB VAL 118 HB VAL 118 9.702 -5.380 -2.027
335 HG11 VAL 118 HG11 VAL 118 7.791 -6.812 -1.625
336 HG12 VAL 118 HG12 VAL 118 9.247 -7.519 -0.925
337 HG13 VAL 118 HG13 VAL 118 8.597 -8.152 -2.438
338 HG21 VAL 118 HG21 VAL 118 10.925 -7.702 -3.509
339 HG22 VAL 118 HG22 VAL 118 11.437 -7.114 -1.927
340 HG23 VAL 118 HG23 VAL 118 11.605 -6.082 -3.348
341 H GLU 119 HN GLU 119 6.650 -6.710 -4.553
342 HA GLU 119 HA GLU 119 7.406 -9.334 -5.491
343 HB2 GLU 119 HB2 GLU 119 4.702 -7.984 -5.520
344 HB3 GLU 119 HB1 GLU 119 5.021 -9.706 -5.667
345 HG2 GLU 119 HG2 GLU 119 5.592 -9.915 -3.423
346 HG3 GLU 119 HG1 GLU 119 5.843 -8.180 -3.229
347 HA PRO 120 HA PRO 120 7.527 -7.808 -9.720
348 HB2 PRO 120 HB2 PRO 120 8.434 -10.406 -10.539
349 HB3 PRO 120 HB1 PRO 120 9.383 -8.929 -10.380
350 HG2 PRO 120 HG2 PRO 120 9.673 -11.158 -8.782
351 HG3 PRO 120 HG1 PRO 120 10.175 -9.520 -8.331
352 HD2 PRO 120 HD2 PRO 120 7.719 -11.037 -7.552
353 HD3 PRO 120 HD1 PRO 120 8.715 -9.928 -6.586
Start of MODEL 18
1 H PHE 12 H PHE 12 -11.417 -7.831 0.700
2 HA PHE 12 HA PHE 12 -12.414 -6.765 -1.163
3 HB2 PHE 12 HB2 PHE 12 -14.039 -5.358 -0.019
4 HB3 PHE 12 HB1 PHE 12 -13.649 -6.754 0.975
5 HD1 PHE 12 HD2 PHE 12 -12.411 -6.496 3.048
6 HD2 PHE 12 HD1 PHE 12 -13.426 -3.127 0.656
7 HE1 PHE 12 HE2 PHE 12 -11.912 -5.005 4.942
8 HE2 PHE 12 HE1 PHE 12 -12.936 -1.633 2.545
9 HZ PHE 12 HZ PHE 12 -12.177 -2.571 4.690
10 H LEU 13 HN LEU 13 -9.647 -5.364 -0.339
11 HA LEU 13 HA LEU 13 -10.126 -2.635 -1.076
12 HB2 LEU 13 HB2 LEU 13 -7.617 -4.277 -0.749
13 HB3 LEU 13 HB1 LEU 13 -7.573 -2.621 -1.316
14 HG LEU 13 HG LEU 13 -7.066 -2.518 0.975
15 HD11 LEU 13 HD11 LEU 13 -8.648 -0.816 0.281
16 HD12 LEU 13 HD12 LEU 13 -8.925 -1.283 1.959
17 HD13 LEU 13 HD13 LEU 13 -9.994 -1.880 0.690
18 HD21 LEU 13 HD21 LEU 13 -8.414 -3.547 2.728
19 HD22 LEU 13 HD22 LEU 13 -7.766 -4.751 1.615
20 HD23 LEU 13 HD23 LEU 13 -9.458 -4.268 1.503
21 HA PRO 14 HA PRO 14 -10.063 -2.654 -5.497
22 HB2 PRO 14 HB2 PRO 14 -7.783 -0.792 -5.051
23 HB3 PRO 14 HB1 PRO 14 -9.068 -0.703 -6.261
24 HG2 PRO 14 HG2 PRO 14 -9.301 0.684 -4.199
25 HG3 PRO 14 HG1 PRO 14 -10.685 -0.307 -4.595
26 HD2 PRO 14 HD2 PRO 14 -8.563 -0.766 -2.503
27 HD3 PRO 14 HD1 PRO 14 -10.324 -1.000 -2.366
28 H LYS 15 HN LYS 15 -9.030 -3.175 -7.191
29 HA LYS 15 HA LYS 15 -7.343 -5.455 -6.764
30 HB2 LYS 15 HB2 LYS 15 -7.557 -5.923 -9.101
31 HB3 LYS 15 HB1 LYS 15 -9.117 -5.385 -8.509
32 HG2 LYS 15 HG2 LYS 15 -9.039 -4.224 -10.432
33 HG3 LYS 15 HG1 LYS 15 -8.229 -3.052 -9.400
34 HD2 LYS 15 HD2 LYS 15 -6.062 -3.893 -10.146
35 HD3 LYS 15 HD1 LYS 15 -6.867 -5.096 -11.157
36 HE2 LYS 15 HE2 LYS 15 -7.909 -3.295 -12.452
37 HE3 LYS 15 HE1 LYS 15 -7.084 -2.100 -11.450
38 HZ1 LYS 15 HZ1 LYS 15 -4.961 -3.085 -12.202
39 HZ2 LYS 15 HZ2 LYS 15 -5.860 -2.393 -13.459
40 HZ3 LYS 15 HZ3 LYS 15 -5.823 -4.080 -13.273
41 H GLY 16 HN GLY 16 -5.251 -5.762 -7.180
42 HA2 GLY 16 HA2 GLY 16 -3.031 -5.248 -7.538
43 HA3 GLY 16 HA1 GLY 16 -3.521 -3.754 -8.318
44 H TRP 17 HN TRP 17 -5.148 -3.497 -5.556
45 HA TRP 17 HA TRP 17 -3.003 -2.057 -4.204
46 HB2 TRP 17 HB2 TRP 17 -5.970 -2.267 -3.691
47 HB3 TRP 17 HB1 TRP 17 -4.872 -1.465 -2.579
48 HD1 TRP 17 HD1 TRP 17 -6.058 -1.133 -6.264
49 HE1 TRP 17 HE1 TRP 17 -6.046 1.365 -6.851
50 HE3 TRP 17 HE3 TRP 17 -3.980 0.707 -1.968
51 HZ2 TRP 17 HZ2 TRP 17 -5.217 3.796 -5.681
52 HZ3 TRP 17 HZ3 TRP 17 -3.598 3.133 -1.788
53 HH2 TRP 17 HH2 TRP 17 -4.205 4.645 -3.609
54 H GLU 18 HN GLU 18 -1.787 -3.074 -2.781
55 HA GLU 18 HA GLU 18 -2.914 -5.443 -1.452
56 HB2 GLU 18 HB2 GLU 18 -0.237 -4.894 -2.597
57 HB3 GLU 18 HB1 GLU 18 -0.333 -5.936 -1.188
58 HG2 GLU 18 HG2 GLU 18 -1.700 -6.340 -3.838
59 HG3 GLU 18 HG1 GLU 18 -0.371 -7.275 -3.157
60 H VAL 19 HN VAL 19 -2.515 -5.833 0.612
61 HA VAL 19 HA VAL 19 -1.625 -3.534 2.227
62 HB VAL 19 HB VAL 19 -3.345 -5.801 3.224
63 HG11 VAL 19 HG11 VAL 19 -2.239 -4.464 4.920
64 HG12 VAL 19 HG12 VAL 19 -3.984 -4.200 4.951
65 HG13 VAL 19 HG13 VAL 19 -2.923 -2.994 4.224
66 HG21 VAL 19 HG21 VAL 19 -4.304 -3.199 2.048
67 HG22 VAL 19 HG22 VAL 19 -5.311 -4.384 2.878
68 HG23 VAL 19 HG23 VAL 19 -4.530 -4.804 1.353
69 H ARG 20 HN ARG 20 0.565 -4.054 2.383
70 HA ARG 20 HA ARG 20 1.160 -6.631 3.669
71 HB2 ARG 20 HB2 ARG 20 2.349 -6.109 1.486
72 HB3 ARG 20 HB1 ARG 20 3.145 -4.782 2.339
73 HG2 ARG 20 HG2 ARG 20 4.040 -6.422 3.969
74 HG3 ARG 20 HG1 ARG 20 3.349 -7.714 2.990
75 HD2 ARG 20 HD2 ARG 20 5.310 -5.697 1.964
76 HD3 ARG 20 HD1 ARG 20 5.785 -7.256 2.620
77 HE ARG 20 HE ARG 20 4.012 -7.030 0.270
78 HH11 ARG 20 HH11 ARG 20 6.817 -8.351 1.892
79 HH12 ARG 20 HH12 ARG 20 7.206 -9.449 0.604
80 HH21 ARG 20 HH21 ARG 20 4.542 -8.460 -1.468
81 HH22 ARG 20 HH22 ARG 20 5.938 -9.496 -1.306
82 H HIS 21 HN HIS 21 2.518 -6.638 5.531
83 HA HIS 21 HA HIS 21 2.306 -4.090 7.033
84 HB2 HIS 21 HB2 HIS 21 1.045 -6.417 7.626
85 HB3 HIS 21 HB1 HIS 21 2.554 -6.673 8.478
86 HD1 HIS 21 HD1 HIS 21 1.445 -6.730 10.705
87 HD2 HIS 21 HD2 HIS 21 0.828 -3.042 8.747
88 HE1 HIS 21 HE1 HIS 21 0.387 -5.212 12.395
89 HE2 HIS 21 HE2 HIS 21 -0.138 -3.096 11.153
90 H ALA 22 HN ALA 22 4.230 -3.189 7.351
91 HA ALA 22 HA ALA 22 6.698 -4.433 6.804
92 HB1 ALA 22 HB1 ALA 22 6.131 -1.909 8.359
93 HB2 ALA 22 HB2 ALA 22 6.318 -2.025 6.610
94 HB3 ALA 22 HB3 ALA 22 7.686 -2.371 7.668
95 HA PRO 23 HA PRO 23 7.999 -6.443 10.509
96 HB2 PRO 23 HB2 PRO 23 10.405 -4.728 10.716
97 HB3 PRO 23 HB1 PRO 23 10.280 -6.483 10.568
98 HG2 PRO 23 HG2 PRO 23 11.079 -4.985 8.509
99 HG3 PRO 23 HG1 PRO 23 10.048 -6.406 8.267
100 HD2 PRO 23 HD2 PRO 23 9.313 -3.506 8.259
101 HD3 PRO 23 HD1 PRO 23 8.734 -4.820 7.213
102 H ASN 24 HN ASN 24 7.938 -2.959 10.600
103 HA ASN 24 HA ASN 24 8.047 -2.802 13.479
104 HB2 ASN 24 HB2 ASN 24 7.437 -0.388 13.103
105 HB3 ASN 24 HB1 ASN 24 8.926 -0.895 12.316
106 HD21 ASN 24 HD21 ASN 24 8.675 0.952 10.971
107 HD22 ASN 24 HD22 ASN 24 7.596 0.904 9.616
108 H GLY 25 HN GLY 25 5.850 -3.677 11.198
109 HA2 GLY 25 HA2 GLY 25 3.687 -4.406 11.499
110 HA3 GLY 25 HA1 GLY 25 3.695 -3.680 13.083
111 H ARG 26 HN ARG 26 4.378 -2.198 9.969
112 HA ARG 26 HA ARG 26 1.868 -0.662 10.189
113 HB2 ARG 26 HB2 ARG 26 4.468 0.133 8.850
114 HB3 ARG 26 HB1 ARG 26 2.991 1.081 8.817
115 HG2 ARG 26 HG2 ARG 26 4.634 0.420 11.253
116 HG3 ARG 26 HG1 ARG 26 4.555 1.978 10.429
117 HD2 ARG 26 HD2 ARG 26 2.150 2.099 10.958
118 HD3 ARG 26 HD1 ARG 26 2.289 0.577 11.840
119 HE ARG 26 HE ARG 26 3.771 3.014 12.599
120 HH11 ARG 26 HH11 ARG 26 1.799 0.248 13.431
121 HH12 ARG 26 HH12 ARG 26 1.923 0.511 15.137
122 HH21 ARG 26 HH21 ARG 26 3.960 3.350 14.839
123 HH22 ARG 26 HH22 ARG 26 3.131 2.286 15.945
124 HA PRO 27 HA PRO 27 1.165 -2.753 6.284
125 HB2 PRO 27 HB2 PRO 27 -1.433 -2.156 6.000
126 HB3 PRO 27 HB1 PRO 27 -0.898 -3.329 7.204
127 HG2 PRO 27 HG2 PRO 27 -1.680 -0.470 7.562
128 HG3 PRO 27 HG1 PRO 27 -2.034 -1.865 8.598
129 HD2 PRO 27 HD2 PRO 27 0.002 -0.095 9.050
130 HD3 PRO 27 HD1 PRO 27 -0.046 -1.674 9.708
131 H PHE 28 HN PHE 28 2.227 -1.680 4.804
132 HA PHE 28 HA PHE 28 1.324 0.917 3.871
133 HB2 PHE 28 HB2 PHE 28 3.372 0.848 2.449
134 HB3 PHE 28 HB1 PHE 28 3.722 0.713 4.161
135 HD1 PHE 28 HD1 PHE 28 3.612 -2.007 4.882
136 HD2 PHE 28 HD2 PHE 28 4.828 -0.358 1.135
137 HE1 PHE 28 HE1 PHE 28 4.966 -4.000 4.439
138 HE2 PHE 28 HE2 PHE 28 6.148 -2.371 0.692
139 HZ PHE 28 HZ PHE 28 6.232 -4.191 2.342
140 H PHE 29 HN PHE 29 0.015 1.105 2.216
141 HA PHE 29 HA PHE 29 -0.847 -1.334 0.894
142 HB2 PHE 29 HB2 PHE 29 -1.989 1.469 0.769
143 HB3 PHE 29 HB1 PHE 29 -2.699 0.037 0.029
144 HD1 PHE 29 HD2 PHE 29 -1.698 1.438 3.327
145 HD2 PHE 29 HD1 PHE 29 -4.198 -1.256 1.189
146 HE1 PHE 29 HE2 PHE 29 -2.947 0.965 5.392
147 HE2 PHE 29 HE1 PHE 29 -5.451 -1.729 3.248
148 HZ PHE 29 HZ PHE 29 -4.822 -0.626 5.350
149 H ILE 30 HN ILE 30 0.095 -1.901 -0.860
150 HA ILE 30 HA ILE 30 1.491 0.082 -2.470
151 HB ILE 30 HB ILE 30 1.480 -2.910 -2.867
152 HG12 ILE 30 HG12 ILE 30 3.461 -1.221 -1.369
153 HG13 ILE 30 HG11 ILE 30 2.286 -2.272 -0.601
154 HG21 ILE 30 HG21 ILE 30 3.562 -2.453 -4.086
155 HG22 ILE 30 HG22 ILE 30 3.362 -0.729 -3.775
156 HG23 ILE 30 HG23 ILE 30 2.199 -1.583 -4.789
157 HD11 ILE 30 HD11 ILE 30 4.529 -3.140 -2.414
158 HD12 ILE 30 HD12 ILE 30 3.331 -4.204 -1.679
159 HD13 ILE 30 HD13 ILE 30 4.467 -3.320 -0.661
160 H ASP 31 HN ASP 31 0.622 0.876 -4.192
161 HA ASP 31 HA ASP 31 -1.583 -0.501 -5.509
162 HB2 ASP 31 HB2 ASP 31 -1.991 1.819 -5.420
163 HB3 ASP 31 HB1 ASP 31 -0.338 2.216 -5.875
164 H HIS 32 HN HIS 32 -1.023 -2.101 -6.724
165 HA HIS 32 HA HIS 32 1.633 -2.274 -7.854
166 HB2 HIS 32 HB2 HIS 32 -0.701 -4.199 -7.742
167 HB3 HIS 32 HB1 HIS 32 0.820 -4.591 -8.520
168 HD1 HIS 32 HD1 HIS 32 2.045 -6.179 -6.960
169 HD2 HIS 32 HD2 HIS 32 0.198 -3.068 -4.911
170 HE1 HIS 32 HE1 HIS 32 2.610 -6.506 -4.500
171 HE2 HIS 32 HE2 HIS 32 1.361 -4.709 -3.306
172 H ASN 33 HN ASN 33 -1.105 -0.808 -8.814
173 HA ASN 33 HA ASN 33 -1.009 -1.578 -11.619
174 HB2 ASN 33 HB2 ASN 33 -2.707 0.575 -10.343
175 HB3 ASN 33 HB1 ASN 33 -2.929 -0.147 -11.929
176 HD21 ASN 33 HD21 ASN 33 -3.446 -0.441 -8.546
177 HD22 ASN 33 HD22 ASN 33 -4.440 -1.869 -8.615
178 H THR 34 HN THR 34 -1.091 1.614 -10.024
179 HA THR 34 HA THR 34 0.391 2.718 -12.296
180 HB THR 34 HB THR 34 -0.851 4.282 -10.033
181 HG1 THR 34 HG1 THR 34 -2.068 2.947 -12.189
182 HG21 THR 34 HG21 THR 34 -0.346 4.944 -12.940
183 HG22 THR 34 HG22 THR 34 0.611 5.515 -11.573
184 HG23 THR 34 HG23 THR 34 -1.068 6.024 -11.747
185 H LYS 35 HN LYS 35 1.069 1.437 -9.372
186 HA LYS 35 HA LYS 35 2.821 1.426 -7.969
187 HB2 LYS 35 HB2 LYS 35 4.058 3.087 -10.149
188 HB3 LYS 35 HB1 LYS 35 4.909 2.778 -8.644
189 HG2 LYS 35 HG2 LYS 35 5.678 1.170 -10.182
190 HG3 LYS 35 HG1 LYS 35 4.584 0.319 -9.094
191 HD2 LYS 35 HD2 LYS 35 4.091 -0.438 -11.287
192 HD3 LYS 35 HD1 LYS 35 2.781 0.650 -10.826
193 HE2 LYS 35 HE2 LYS 35 3.834 2.455 -12.095
194 HE3 LYS 35 HE1 LYS 35 5.154 1.377 -12.545
195 HZ1 LYS 35 HZ1 LYS 35 3.658 1.430 -14.352
196 HZ2 LYS 35 HZ2 LYS 35 2.309 1.191 -13.357
197 HZ3 LYS 35 HZ3 LYS 35 3.418 -0.068 -13.591
198 H THR 36 HN THR 36 1.507 2.374 -6.475
199 HA THR 36 HA THR 36 2.310 5.083 -5.684
200 HB THR 36 HB THR 36 -0.498 4.215 -5.152
201 HG1 THR 36 HG1 THR 36 -0.319 3.948 -7.424
202 HG21 THR 36 HG21 THR 36 0.361 6.237 -4.109
203 HG22 THR 36 HG22 THR 36 -0.908 6.632 -5.268
204 HG23 THR 36 HG23 THR 36 0.784 6.889 -5.691
205 H THR 37 HN THR 37 2.222 5.379 -3.370
206 HA THR 37 HA THR 37 1.841 2.935 -1.813
207 HB THR 37 HB THR 37 4.062 3.541 -0.615
208 HG1 THR 37 HG1 THR 37 4.160 5.512 -2.113
209 HG21 THR 37 HG21 THR 37 5.319 2.112 -2.158
210 HG22 THR 37 HG22 THR 37 4.074 2.337 -3.385
211 HG23 THR 37 HG23 THR 37 3.693 1.486 -1.890
212 H THR 38 HN THR 38 0.817 3.303 0.029
213 HA THR 38 HA THR 38 1.108 5.828 1.441
214 HB THR 38 HB THR 38 -0.707 6.309 -0.137
215 HG1 THR 38 HG1 THR 38 -2.435 6.510 1.664
216 HG21 THR 38 HG21 THR 38 -2.829 5.085 -0.025
217 HG22 THR 38 HG22 THR 38 -2.116 3.954 1.127
218 HG23 THR 38 HG23 THR 38 -1.504 4.034 -0.526
219 H TRP 39 HN TRP 39 0.373 5.680 3.659
220 HA TRP 39 HA TRP 39 0.413 2.927 4.626
221 HB2 TRP 39 HB2 TRP 39 0.323 5.469 6.258
222 HB3 TRP 39 HB1 TRP 39 0.725 3.857 6.832
223 HD1 TRP 39 HD1 TRP 39 2.198 6.902 5.211
224 HE1 TRP 39 HE1 TRP 39 4.762 6.595 4.997
225 HE3 TRP 39 HE3 TRP 39 2.518 1.948 6.419
226 HZ2 TRP 39 HZ2 TRP 39 6.651 4.502 5.312
227 HZ3 TRP 39 HZ3 TRP 39 4.725 0.868 6.444
228 HH2 TRP 39 HH2 TRP 39 6.748 2.119 5.897
229 H GLU 40 HN GLU 40 -1.883 5.179 3.753
230 HA GLU 40 HA GLU 40 -3.690 4.372 5.895
231 HB2 GLU 40 HB2 GLU 40 -4.970 6.436 5.315
232 HB3 GLU 40 HB1 GLU 40 -3.350 6.698 5.947
233 HG2 GLU 40 HG2 GLU 40 -3.576 8.241 4.265
234 HG3 GLU 40 HG1 GLU 40 -2.618 6.961 3.537
235 H ASP 41 HN ASP 41 -6.008 4.333 5.304
236 HA ASP 41 HA ASP 41 -6.104 2.164 3.383
237 HB2 ASP 41 HB2 ASP 41 -8.022 3.156 5.483
238 HB3 ASP 41 HB1 ASP 41 -8.478 1.918 4.321
239 HA PRO 42 HA PRO 42 -8.038 4.553 0.139
240 HB2 PRO 42 HB2 PRO 42 -8.745 2.390 -1.383
241 HB3 PRO 42 HB1 PRO 42 -7.125 3.100 -1.380
242 HG2 PRO 42 HG2 PRO 42 -8.153 0.702 0.087
243 HG3 PRO 42 HG1 PRO 42 -6.609 0.921 -0.760
244 HD2 PRO 42 HD2 PRO 42 -6.798 1.087 1.923
245 HD3 PRO 42 HD1 PRO 42 -5.668 2.102 0.999
246 H ARG 43 HN ARG 43 -9.451 2.376 2.318
247 HA ARG 43 HA ARG 43 -12.056 2.077 1.271
248 HB2 ARG 43 HB2 ARG 43 -11.691 2.293 4.220
249 HB3 ARG 43 HB1 ARG 43 -12.634 1.139 3.292
250 HG2 ARG 43 HG2 ARG 43 -10.619 -0.062 2.682
251 HG3 ARG 43 HG1 ARG 43 -9.630 1.127 3.534
252 HD2 ARG 43 HD2 ARG 43 -11.108 0.517 5.577
253 HD3 ARG 43 HD1 ARG 43 -11.499 -0.931 4.650
254 HE ARG 43 HE ARG 43 -8.669 -0.378 4.920
255 HH11 ARG 43 HH11 ARG 43 -11.434 -2.008 6.325
256 HH12 ARG 43 HH12 ARG 43 -10.468 -3.155 7.204
257 HH21 ARG 43 HH21 ARG 43 -7.411 -1.830 6.092
258 HH22 ARG 43 HH22 ARG 43 -8.172 -3.038 7.084
259 H LEU 44 HN LEU 44 -10.439 4.783 2.470
260 HA LEU 44 HA LEU 44 -12.698 6.117 3.612
261 HB2 LEU 44 HB2 LEU 44 -9.997 7.229 2.880
262 HB3 LEU 44 HB1 LEU 44 -11.185 8.003 3.912
263 HG LEU 44 HG LEU 44 -9.799 5.400 4.562
264 HD11 LEU 44 HD11 LEU 44 -9.272 8.178 5.602
265 HD12 LEU 44 HD12 LEU 44 -8.213 7.249 4.543
266 HD13 LEU 44 HD13 LEU 44 -8.521 6.695 6.188
267 HD21 LEU 44 HD21 LEU 44 -10.702 5.783 6.810
268 HD22 LEU 44 HD22 LEU 44 -11.979 5.601 5.608
269 HD23 LEU 44 HD23 LEU 44 -11.561 7.203 6.214
270 H LYS 45 HN LYS 45 -11.704 5.546 0.578
271 HA LYS 45 HA LYS 45 -12.658 8.055 -0.556
272 HB2 LYS 45 HB2 LYS 45 -10.594 7.115 -1.480
273 HB3 LYS 45 HB1 LYS 45 -11.442 5.631 -1.896
274 HG2 LYS 45 HG2 LYS 45 -11.144 7.033 -3.850
275 HG3 LYS 45 HG1 LYS 45 -12.857 6.870 -3.455
276 HD2 LYS 45 HD2 LYS 45 -12.593 9.070 -2.182
277 HD3 LYS 45 HD1 LYS 45 -11.053 9.237 -3.027
278 HE2 LYS 45 HE2 LYS 45 -12.751 10.431 -4.247
279 HE3 LYS 45 HE1 LYS 45 -12.261 9.015 -5.179
280 HZ1 LYS 45 HZ1 LYS 45 -14.710 9.250 -3.506
281 HZ2 LYS 45 HZ2 LYS 45 -14.225 7.850 -4.328
282 HZ3 LYS 45 HZ3 LYS 45 -14.649 9.236 -5.202
283 H GLN 112 H GLN 112 8.698 8.302 8.154
284 HA GLN 112 HA GLN 112 8.475 6.242 6.963
285 HB2 GLN 112 HB2 GLN 112 5.944 7.825 7.379
286 HB3 GLN 112 HB1 GLN 112 5.936 6.116 6.974
287 HG2 GLN 112 HG2 GLN 112 7.228 5.650 9.011
288 HG3 GLN 112 HG1 GLN 112 7.158 7.364 9.423
289 HE21 GLN 112 HE21 GLN 112 6.107 4.993 10.823
290 HE22 GLN 112 HE22 GLN 112 4.417 5.310 11.045
291 H ILE 113 HN ILE 113 8.991 5.670 4.979
292 HA ILE 113 HA ILE 113 7.418 6.769 2.739
293 HB ILE 113 HB ILE 113 10.270 5.767 2.725
294 HG12 ILE 113 HG12 ILE 113 10.036 8.040 3.596
295 HG13 ILE 113 HG11 ILE 113 10.804 8.068 2.012
296 HG21 ILE 113 HG21 ILE 113 8.574 6.705 0.415
297 HG22 ILE 113 HG22 ILE 113 9.118 5.053 0.703
298 HG23 ILE 113 HG23 ILE 113 10.292 6.318 0.340
299 HD11 ILE 113 HD11 ILE 113 7.923 8.708 2.608
300 HD12 ILE 113 HD12 ILE 113 8.657 8.699 1.005
301 HD13 ILE 113 HD13 ILE 113 9.197 9.862 2.217
302 HA PRO 114 HA PRO 114 6.159 2.431 2.658
303 HB2 PRO 114 HB2 PRO 114 4.346 3.168 0.523
304 HB3 PRO 114 HB1 PRO 114 3.969 2.627 2.158
305 HG2 PRO 114 HG2 PRO 114 3.547 5.176 1.230
306 HG3 PRO 114 HG1 PRO 114 3.744 4.748 2.936
307 HD2 PRO 114 HD2 PRO 114 5.677 6.004 1.058
308 HD3 PRO 114 HD1 PRO 114 5.484 6.216 2.810
309 HA PRO 115 HA PRO 115 8.612 1.549 -1.009
310 HB2 PRO 115 HB2 PRO 115 9.256 -0.961 -0.347
311 HB3 PRO 115 HB1 PRO 115 9.963 0.426 0.467
312 HG2 PRO 115 HG2 PRO 115 7.783 -1.370 1.393
313 HG3 PRO 115 HG1 PRO 115 9.140 -0.690 2.308
314 HD2 PRO 115 HD2 PRO 115 6.574 0.327 2.307
315 HD3 PRO 115 HD1 PRO 115 8.028 1.256 2.721
316 HA PRO 116 HA PRO 116 5.437 -0.214 -3.648
317 HB2 PRO 116 HB2 PRO 116 7.434 -0.880 -5.537
318 HB3 PRO 116 HB1 PRO 116 6.412 0.565 -5.537
319 HG2 PRO 116 HG2 PRO 116 9.128 0.154 -4.375
320 HG3 PRO 116 HG1 PRO 116 8.486 1.548 -5.284
321 HD2 PRO 116 HD2 PRO 116 8.552 1.759 -2.750
322 HD3 PRO 116 HD1 PRO 116 7.031 2.110 -3.534
323 H TYR 117 HN TYR 117 5.604 -1.688 -5.073
324 HA TYR 117 HA TYR 117 5.381 -4.233 -3.813
325 HB2 TYR 117 HB2 TYR 117 4.459 -5.076 -5.839
326 HB3 TYR 117 HB1 TYR 117 3.896 -3.423 -5.669
327 HD1 TYR 117 HD1 TYR 117 6.101 -5.671 -7.551
328 HD2 TYR 117 HD2 TYR 117 4.519 -1.732 -7.282
329 HE1 TYR 117 HE1 TYR 117 6.875 -5.215 -9.834
330 HE2 TYR 117 HE2 TYR 117 5.297 -1.262 -9.568
331 HH TYR 117 HH TYR 117 6.493 -3.779 -11.646
332 H VAL 118 HN VAL 118 6.647 -5.992 -3.800
333 HA VAL 118 HA VAL 118 9.264 -5.798 -5.116
334 HB VAL 118 HB VAL 118 8.353 -7.755 -2.989
335 HG11 VAL 118 HG11 VAL 118 10.747 -8.194 -2.688
336 HG12 VAL 118 HG12 VAL 118 11.113 -7.099 -4.020
337 HG13 VAL 118 HG13 VAL 118 10.214 -8.585 -4.324
338 HG21 VAL 118 HG21 VAL 118 9.959 -5.220 -2.684
339 HG22 VAL 118 HG22 VAL 118 9.654 -6.400 -1.409
340 HG23 VAL 118 HG23 VAL 118 8.315 -5.487 -2.108
341 H GLU 119 HN GLU 119 6.255 -7.401 -5.090
342 HA GLU 119 HA GLU 119 6.946 -9.890 -6.217
343 HB2 GLU 119 HB2 GLU 119 4.302 -8.437 -6.449
344 HB3 GLU 119 HB1 GLU 119 4.571 -10.168 -6.598
345 HG2 GLU 119 HG2 GLU 119 3.797 -10.108 -4.472
346 HG3 GLU 119 HG1 GLU 119 5.511 -9.872 -4.146
347 HA PRO 120 HA PRO 120 8.045 -8.393 -10.296
348 HB2 PRO 120 HB2 PRO 120 7.936 -11.298 -10.885
349 HB3 PRO 120 HB1 PRO 120 9.245 -10.141 -11.150
350 HG2 PRO 120 HG2 PRO 120 9.394 -11.931 -9.187
351 HG3 PRO 120 HG1 PRO 120 9.984 -10.274 -8.956
352 HD2 PRO 120 HD2 PRO 120 7.429 -11.524 -8.019
353 HD3 PRO 120 HD1 PRO 120 8.515 -10.408 -7.165
Start of MODEL 19
1 H PHE 12 H PHE 12 -10.508 -7.207 0.370
2 HA PHE 12 HA PHE 12 -13.082 -6.584 -0.946
3 HB2 PHE 12 HB2 PHE 12 -13.670 -5.352 1.062
4 HB3 PHE 12 HB1 PHE 12 -13.329 -7.026 1.475
5 HD1 PHE 12 HD1 PHE 12 -11.102 -7.572 2.545
6 HD2 PHE 12 HD2 PHE 12 -12.514 -3.588 2.070
7 HE1 PHE 12 HE1 PHE 12 -9.527 -6.810 4.277
8 HE2 PHE 12 HE2 PHE 12 -10.939 -2.818 3.795
9 HZ PHE 12 HZ PHE 12 -9.442 -4.429 4.901
10 H LEU 13 HN LEU 13 -10.136 -6.056 -1.635
11 HA LEU 13 HA LEU 13 -10.291 -3.108 -1.586
12 HB2 LEU 13 HB2 LEU 13 -7.909 -4.943 -1.510
13 HB3 LEU 13 HB1 LEU 13 -7.761 -3.274 -2.025
14 HG LEU 13 HG LEU 13 -8.919 -2.786 0.289
15 HD11 LEU 13 HD11 LEU 13 -8.242 -4.361 2.015
16 HD12 LEU 13 HD12 LEU 13 -7.577 -5.439 0.787
17 HD13 LEU 13 HD13 LEU 13 -9.315 -5.135 0.847
18 HD21 LEU 13 HD21 LEU 13 -6.699 -2.535 1.263
19 HD22 LEU 13 HD22 LEU 13 -6.718 -2.012 -0.421
20 HD23 LEU 13 HD23 LEU 13 -6.024 -3.574 0.010
21 HA PRO 14 HA PRO 14 -10.181 -2.708 -6.047
22 HB2 PRO 14 HB2 PRO 14 -7.959 -0.906 -5.208
23 HB3 PRO 14 HB1 PRO 14 -9.142 -0.677 -6.499
24 HG2 PRO 14 HG2 PRO 14 -9.574 0.464 -4.325
25 HG3 PRO 14 HG1 PRO 14 -10.897 -0.508 -4.930
26 HD2 PRO 14 HD2 PRO 14 -8.900 -1.176 -2.766
27 HD3 PRO 14 HD1 PRO 14 -10.668 -1.423 -2.754
28 H LYS 15 HN LYS 15 -9.017 -3.031 -7.697
29 HA LYS 15 HA LYS 15 -7.375 -5.366 -7.503
30 HB2 LYS 15 HB2 LYS 15 -8.153 -3.652 -9.855
31 HB3 LYS 15 HB1 LYS 15 -7.101 -5.047 -10.018
32 HG2 LYS 15 HG2 LYS 15 -9.297 -5.712 -10.607
33 HG3 LYS 15 HG1 LYS 15 -8.922 -6.448 -9.053
34 HD2 LYS 15 HD2 LYS 15 -10.260 -4.870 -7.889
35 HD3 LYS 15 HD1 LYS 15 -10.438 -3.868 -9.328
36 HE2 LYS 15 HE2 LYS 15 -11.744 -5.611 -10.405
37 HE3 LYS 15 HE1 LYS 15 -11.507 -6.671 -9.016
38 HZ1 LYS 15 HZ1 LYS 15 -12.756 -5.167 -7.652
39 HZ2 LYS 15 HZ2 LYS 15 -13.682 -5.547 -9.025
40 HZ3 LYS 15 HZ3 LYS 15 -12.897 -4.047 -8.917
41 H GLY 16 HN GLY 16 -5.294 -5.528 -7.272
42 HA2 GLY 16 HA2 GLY 16 -3.033 -5.069 -7.588
43 HA3 GLY 16 HA1 GLY 16 -3.450 -3.533 -8.329
44 H TRP 17 HN TRP 17 -5.249 -3.557 -5.619
45 HA TRP 17 HA TRP 17 -3.264 -2.027 -4.137
46 HB2 TRP 17 HB2 TRP 17 -6.230 -2.426 -3.827
47 HB3 TRP 17 HB1 TRP 17 -5.266 -1.688 -2.554
48 HD1 TRP 17 HD1 TRP 17 -6.132 -1.076 -6.296
49 HE1 TRP 17 HE1 TRP 17 -6.155 1.464 -6.677
50 HE3 TRP 17 HE3 TRP 17 -4.505 0.469 -1.686
51 HZ2 TRP 17 HZ2 TRP 17 -5.526 3.810 -5.247
52 HZ3 TRP 17 HZ3 TRP 17 -4.237 2.879 -1.289
53 HH2 TRP 17 HH2 TRP 17 -4.735 4.515 -3.034
54 H GLU 18 HN GLU 18 -2.002 -3.007 -2.780
55 HA GLU 18 HA GLU 18 -2.914 -5.523 -1.559
56 HB2 GLU 18 HB2 GLU 18 -0.338 -4.658 -2.717
57 HB3 GLU 18 HB1 GLU 18 -0.264 -5.699 -1.307
58 HG2 GLU 18 HG2 GLU 18 -1.733 -6.308 -3.860
59 HG3 GLU 18 HG1 GLU 18 -0.169 -6.948 -3.371
60 H VAL 19 HN VAL 19 -2.413 -5.979 0.497
61 HA VAL 19 HA VAL 19 -1.564 -3.712 2.191
62 HB VAL 19 HB VAL 19 -3.334 -5.945 3.166
63 HG11 VAL 19 HG11 VAL 19 -2.164 -4.638 4.852
64 HG12 VAL 19 HG12 VAL 19 -3.905 -4.360 4.921
65 HG13 VAL 19 HG13 VAL 19 -2.848 -3.156 4.183
66 HG21 VAL 19 HG21 VAL 19 -4.513 -4.895 1.315
67 HG22 VAL 19 HG22 VAL 19 -4.257 -3.309 2.045
68 HG23 VAL 19 HG23 VAL 19 -5.271 -4.500 2.859
69 H ARG 20 HN ARG 20 0.478 -4.137 2.777
70 HA ARG 20 HA ARG 20 0.981 -6.784 3.937
71 HB2 ARG 20 HB2 ARG 20 2.154 -6.461 1.705
72 HB3 ARG 20 HB1 ARG 20 3.081 -5.176 2.484
73 HG2 ARG 20 HG2 ARG 20 4.051 -6.698 4.045
74 HG3 ARG 20 HG1 ARG 20 2.988 -8.001 3.514
75 HD2 ARG 20 HD2 ARG 20 5.051 -6.643 1.824
76 HD3 ARG 20 HD1 ARG 20 5.267 -8.203 2.610
77 HE ARG 20 HE ARG 20 2.931 -8.236 1.025
78 HH11 ARG 20 HH11 ARG 20 6.429 -8.293 0.681
79 HH12 ARG 20 HH12 ARG 20 6.371 -9.132 -0.842
80 HH21 ARG 20 HH21 ARG 20 2.865 -9.354 -0.914
81 HH22 ARG 20 HH22 ARG 20 4.349 -9.765 -1.741
82 H HIS 21 HN HIS 21 2.479 -6.819 5.676
83 HA HIS 21 HA HIS 21 2.379 -4.292 7.207
84 HB2 HIS 21 HB2 HIS 21 1.682 -6.962 7.868
85 HB3 HIS 21 HB1 HIS 21 3.141 -6.593 8.768
86 HD1 HIS 21 HD1 HIS 21 1.281 -7.130 10.670
87 HD2 HIS 21 HD2 HIS 21 1.004 -3.352 8.815
88 HE1 HIS 21 HE1 HIS 21 -0.122 -5.704 12.192
89 HE2 HIS 21 HE2 HIS 21 -0.352 -3.494 11.019
90 H ALA 22 HN ALA 22 4.271 -3.248 7.019
91 HA ALA 22 HA ALA 22 6.760 -4.438 6.426
92 HB1 ALA 22 HB1 ALA 22 6.200 -1.777 7.741
93 HB2 ALA 22 HB2 ALA 22 6.238 -2.072 6.003
94 HB3 ALA 22 HB3 ALA 22 7.709 -2.257 6.961
95 HA PRO 23 HA PRO 23 8.308 -6.135 10.148
96 HB2 PRO 23 HB2 PRO 23 10.695 -4.367 9.988
97 HB3 PRO 23 HB1 PRO 23 10.597 -6.129 10.090
98 HG2 PRO 23 HG2 PRO 23 11.201 -4.951 7.787
99 HG3 PRO 23 HG1 PRO 23 10.133 -6.367 7.829
100 HD2 PRO 23 HD2 PRO 23 9.431 -3.477 7.492
101 HD3 PRO 23 HD1 PRO 23 8.742 -4.905 6.693
102 H ASN 24 HN ASN 24 7.930 -2.700 10.039
103 HA ASN 24 HA ASN 24 8.503 -2.312 12.841
104 HB2 ASN 24 HB2 ASN 24 7.824 -0.006 12.516
105 HB3 ASN 24 HB1 ASN 24 8.904 -0.479 11.209
106 HD21 ASN 24 HD21 ASN 24 6.896 1.649 11.378
107 HD22 ASN 24 HD22 ASN 24 5.833 1.387 10.036
108 H GLY 25 HN GLY 25 5.975 -3.437 10.944
109 HA2 GLY 25 HA2 GLY 25 4.066 -4.469 11.869
110 HA3 GLY 25 HA1 GLY 25 4.195 -3.393 13.240
111 H ARG 26 HN ARG 26 4.434 -2.192 9.986
112 HA ARG 26 HA ARG 26 1.725 -1.076 10.260
113 HB2 ARG 26 HB2 ARG 26 4.263 0.186 9.280
114 HB3 ARG 26 HB1 ARG 26 2.718 0.729 8.637
115 HG2 ARG 26 HG2 ARG 26 3.565 0.747 11.527
116 HG3 ARG 26 HG1 ARG 26 3.357 2.146 10.465
117 HD2 ARG 26 HD2 ARG 26 0.971 1.518 10.200
118 HD3 ARG 26 HD1 ARG 26 1.209 0.235 11.380
119 HE ARG 26 HE ARG 26 1.468 3.118 11.971
120 HH11 ARG 26 HH11 ARG 26 0.748 -0.175 12.946
121 HH12 ARG 26 HH12 ARG 26 0.077 0.286 14.477
122 HH21 ARG 26 HH21 ARG 26 0.570 3.729 13.990
123 HH22 ARG 26 HH22 ARG 26 -0.053 2.503 15.060
124 HA PRO 27 HA PRO 27 1.062 -3.003 6.279
125 HB2 PRO 27 HB2 PRO 27 -1.546 -2.487 6.057
126 HB3 PRO 27 HB1 PRO 27 -0.972 -3.623 7.282
127 HG2 PRO 27 HG2 PRO 27 -1.694 -0.725 7.594
128 HG3 PRO 27 HG1 PRO 27 -2.178 -2.105 8.603
129 HD2 PRO 27 HD2 PRO 27 -0.085 -0.514 9.245
130 HD3 PRO 27 HD1 PRO 27 -0.165 -2.166 9.702
131 H PHE 28 HN PHE 28 1.977 -1.917 4.722
132 HA PHE 28 HA PHE 28 1.004 0.715 3.950
133 HB2 PHE 28 HB2 PHE 28 2.991 0.727 2.430
134 HB3 PHE 28 HB1 PHE 28 3.407 0.591 4.128
135 HD1 PHE 28 HD1 PHE 28 3.444 -2.102 4.849
136 HD2 PHE 28 HD2 PHE 28 4.383 -0.444 1.041
137 HE1 PHE 28 HE1 PHE 28 4.862 -4.044 4.356
138 HE2 PHE 28 HE2 PHE 28 5.780 -2.398 0.541
139 HZ PHE 28 HZ PHE 28 6.026 -4.199 2.197
140 H PHE 29 HN PHE 29 -0.373 0.937 2.363
141 HA PHE 29 HA PHE 29 -1.196 -1.445 0.922
142 HB2 PHE 29 HB2 PHE 29 -2.443 1.318 0.972
143 HB3 PHE 29 HB1 PHE 29 -3.134 -0.123 0.228
144 HD1 PHE 29 HD2 PHE 29 -1.944 1.121 3.541
145 HD2 PHE 29 HD1 PHE 29 -4.640 -1.374 1.398
146 HE1 PHE 29 HE2 PHE 29 -3.093 0.563 5.641
147 HE2 PHE 29 HE1 PHE 29 -5.796 -1.933 3.492
148 HZ PHE 29 HZ PHE 29 -5.019 -0.974 5.616
149 H ILE 30 HN ILE 30 -0.173 -1.850 -0.850
150 HA ILE 30 HA ILE 30 1.095 0.320 -2.328
151 HB ILE 30 HB ILE 30 1.327 -2.636 -2.883
152 HG12 ILE 30 HG12 ILE 30 3.241 -0.944 -1.318
153 HG13 ILE 30 HG11 ILE 30 2.035 -1.961 -0.542
154 HG21 ILE 30 HG21 ILE 30 3.403 -1.964 -4.010
155 HG22 ILE 30 HG22 ILE 30 3.066 -0.276 -3.620
156 HG23 ILE 30 HG23 ILE 30 1.996 -1.163 -4.709
157 HD11 ILE 30 HD11 ILE 30 4.200 -3.048 -0.584
158 HD12 ILE 30 HD12 ILE 30 4.265 -2.888 -2.340
159 HD13 ILE 30 HD13 ILE 30 3.049 -3.923 -1.592
160 H ASP 31 HN ASP 31 0.314 1.075 -4.107
161 HA ASP 31 HA ASP 31 -1.813 -0.337 -5.517
162 HB2 ASP 31 HB2 ASP 31 -2.277 1.976 -5.415
163 HB3 ASP 31 HB1 ASP 31 -0.618 2.416 -5.810
164 H HIS 32 HN HIS 32 -1.105 -1.941 -6.663
165 HA HIS 32 HA HIS 32 1.593 -1.992 -7.674
166 HB2 HIS 32 HB2 HIS 32 -0.666 -4.002 -7.698
167 HB3 HIS 32 HB1 HIS 32 0.899 -4.326 -8.423
168 HD1 HIS 32 HD1 HIS 32 1.796 -6.101 -6.766
169 HD2 HIS 32 HD2 HIS 32 0.420 -2.654 -4.895
170 HE1 HIS 32 HE1 HIS 32 2.387 -6.327 -4.296
171 HE2 HIS 32 HE2 HIS 32 1.312 -4.367 -3.208
172 H ASN 33 HN ASN 33 -1.076 -0.552 -8.806
173 HA ASN 33 HA ASN 33 -0.745 -1.266 -11.611
174 HB2 ASN 33 HB2 ASN 33 -2.515 0.862 -10.383
175 HB3 ASN 33 HB1 ASN 33 -2.572 0.289 -12.044
176 HD21 ASN 33 HD21 ASN 33 -3.414 -0.332 -8.759
177 HD22 ASN 33 HD22 ASN 33 -4.448 -1.697 -9.067
178 H THR 34 HN THR 34 -0.691 1.768 -9.714
179 HA THR 34 HA THR 34 0.848 3.044 -11.850
180 HB THR 34 HB THR 34 -0.056 4.480 -9.374
181 HG1 THR 34 HG1 THR 34 -1.950 3.493 -9.920
182 HG21 THR 34 HG21 THR 34 -0.378 6.324 -10.954
183 HG22 THR 34 HG22 THR 34 0.079 5.268 -12.289
184 HG23 THR 34 HG23 THR 34 1.264 5.690 -11.053
185 H LYS 35 HN LYS 35 1.591 1.244 -9.258
186 HA LYS 35 HA LYS 35 3.536 0.818 -8.157
187 HB2 LYS 35 HB2 LYS 35 4.586 2.955 -10.016
188 HB3 LYS 35 HB1 LYS 35 5.604 2.121 -8.856
189 HG2 LYS 35 HG2 LYS 35 5.930 1.081 -10.952
190 HG3 LYS 35 HG1 LYS 35 4.968 -0.029 -9.978
191 HD2 LYS 35 HD2 LYS 35 2.967 0.599 -11.141
192 HD3 LYS 35 HD1 LYS 35 3.819 1.878 -12.008
193 HE2 LYS 35 HE2 LYS 35 5.198 0.204 -13.129
194 HE3 LYS 35 HE1 LYS 35 4.366 -1.078 -12.248
195 HZ1 LYS 35 HZ1 LYS 35 3.617 -0.503 -14.625
196 HZ2 LYS 35 HZ2 LYS 35 2.831 0.816 -13.904
197 HZ3 LYS 35 HZ3 LYS 35 2.435 -0.767 -13.439
198 H THR 36 HN THR 36 1.581 2.809 -7.235
199 HA THR 36 HA THR 36 3.297 4.725 -5.795
200 HB THR 36 HB THR 36 1.201 5.997 -5.355
201 HG1 THR 36 HG1 THR 36 0.011 4.157 -7.197
202 HG21 THR 36 HG21 THR 36 1.760 5.426 -8.265
203 HG22 THR 36 HG22 THR 36 2.612 6.591 -7.252
204 HG23 THR 36 HG23 THR 36 0.910 6.840 -7.641
205 H THR 37 HN THR 37 2.973 5.037 -3.508
206 HA THR 37 HA THR 37 1.632 2.763 -2.212
207 HB THR 37 HB THR 37 3.582 3.088 -0.482
208 HG1 THR 37 HG1 THR 37 5.467 3.813 -1.417
209 HG21 THR 37 HG21 THR 37 3.099 1.028 -1.713
210 HG22 THR 37 HG22 THR 37 4.836 1.330 -1.638
211 HG23 THR 37 HG23 THR 37 3.945 1.668 -3.123
212 H THR 38 HN THR 38 0.728 3.098 -0.193
213 HA THR 38 HA THR 38 0.949 5.694 1.092
214 HB THR 38 HB THR 38 -0.913 6.024 -0.482
215 HG1 THR 38 HG1 THR 38 -2.600 6.207 1.422
216 HG21 THR 38 HG21 THR 38 -2.999 4.747 -0.235
217 HG22 THR 38 HG22 THR 38 -2.214 3.707 0.954
218 HG23 THR 38 HG23 THR 38 -1.655 3.714 -0.718
219 H TRP 39 HN TRP 39 0.304 5.605 3.347
220 HA TRP 39 HA TRP 39 0.352 2.887 4.412
221 HB2 TRP 39 HB2 TRP 39 0.265 5.513 5.909
222 HB3 TRP 39 HB1 TRP 39 0.549 3.928 6.612
223 HD1 TRP 39 HD1 TRP 39 2.244 6.770 4.895
224 HE1 TRP 39 HE1 TRP 39 4.788 6.320 4.799
225 HE3 TRP 39 HE3 TRP 39 2.240 1.900 6.400
226 HZ2 TRP 39 HZ2 TRP 39 6.550 4.157 5.315
227 HZ3 TRP 39 HZ3 TRP 39 4.383 0.708 6.589
228 HH2 TRP 39 HH2 TRP 39 6.490 1.813 6.064
229 H GLU 40 HN GLU 40 -1.950 5.115 3.481
230 HA GLU 40 HA GLU 40 -3.727 4.347 5.661
231 HB2 GLU 40 HB2 GLU 40 -4.983 6.420 5.145
232 HB3 GLU 40 HB1 GLU 40 -3.316 6.682 5.650
233 HG2 GLU 40 HG2 GLU 40 -3.782 8.201 3.943
234 HG3 GLU 40 HG1 GLU 40 -2.709 6.986 3.268
235 H ASP 41 HN ASP 41 -6.033 4.224 5.120
236 HA ASP 41 HA ASP 41 -6.129 2.035 3.249
237 HB2 ASP 41 HB2 ASP 41 -8.203 3.145 5.147
238 HB3 ASP 41 HB1 ASP 41 -8.427 1.701 4.165
239 HA PRO 42 HA PRO 42 -8.055 4.252 -0.112
240 HB2 PRO 42 HB2 PRO 42 -9.102 2.062 -1.382
241 HB3 PRO 42 HB1 PRO 42 -7.417 2.570 -1.533
242 HG2 PRO 42 HG2 PRO 42 -8.609 0.451 0.214
243 HG3 PRO 42 HG1 PRO 42 -7.111 0.405 -0.735
244 HD2 PRO 42 HD2 PRO 42 -7.096 0.831 1.924
245 HD3 PRO 42 HD1 PRO 42 -5.930 1.628 0.847
246 H ARG 43 HN ARG 43 -9.555 2.402 2.285
247 HA ARG 43 HA ARG 43 -12.262 2.782 1.398
248 HB2 ARG 43 HB2 ARG 43 -11.045 1.691 3.919
249 HB3 ARG 43 HB1 ARG 43 -12.775 1.984 3.785
250 HG2 ARG 43 HG2 ARG 43 -11.159 0.183 1.987
251 HG3 ARG 43 HG1 ARG 43 -12.211 -0.343 3.307
252 HD2 ARG 43 HD2 ARG 43 -14.140 0.586 2.194
253 HD3 ARG 43 HD1 ARG 43 -13.122 1.263 0.925
254 HE ARG 43 HE ARG 43 -12.981 -1.612 1.227
255 HH11 ARG 43 HH11 ARG 43 -14.520 1.090 -0.391
256 HH12 ARG 43 HH12 ARG 43 -15.053 0.137 -1.745
257 HH21 ARG 43 HH21 ARG 43 -13.672 -2.863 -0.549
258 HH22 ARG 43 HH22 ARG 43 -14.591 -2.114 -1.822
259 H LEU 44 HN LEU 44 -9.954 4.732 2.842
260 HA LEU 44 HA LEU 44 -11.708 6.326 4.419
261 HB2 LEU 44 HB2 LEU 44 -8.995 6.999 3.302
262 HB3 LEU 44 HB1 LEU 44 -9.852 7.938 4.510
263 HG LEU 44 HG LEU 44 -8.880 5.103 4.886
264 HD11 LEU 44 HD11 LEU 44 -7.034 6.675 4.759
265 HD12 LEU 44 HD12 LEU 44 -7.248 6.098 6.413
266 HD13 LEU 44 HD13 LEU 44 -7.810 7.708 5.959
267 HD21 LEU 44 HD21 LEU 44 -10.148 7.040 6.819
268 HD22 LEU 44 HD22 LEU 44 -9.466 5.470 7.240
269 HD23 LEU 44 HD23 LEU 44 -10.879 5.565 6.187
270 H LYS 45 HN LYS 45 -11.329 5.919 1.223
271 HA LYS 45 HA LYS 45 -12.536 8.528 0.590
272 HB2 LYS 45 HB2 LYS 45 -10.989 6.649 -1.209
273 HB3 LYS 45 HB1 LYS 45 -11.887 8.041 -1.792
274 HG2 LYS 45 HG2 LYS 45 -9.830 8.967 -1.666
275 HG3 LYS 45 HG1 LYS 45 -10.371 9.296 -0.020
276 HD2 LYS 45 HD2 LYS 45 -9.157 7.411 0.820
277 HD3 LYS 45 HD1 LYS 45 -8.774 6.866 -0.814
278 HE2 LYS 45 HE2 LYS 45 -7.538 9.008 -1.154
279 HE3 LYS 45 HE1 LYS 45 -7.793 9.366 0.554
280 HZ1 LYS 45 HZ1 LYS 45 -6.498 7.489 1.175
281 HZ2 LYS 45 HZ2 LYS 45 -5.606 8.340 0.010
282 HZ3 LYS 45 HZ3 LYS 45 -6.424 6.926 -0.420
283 H GLN 112 H GLN 112 5.814 9.807 6.309
284 HA GLN 112 HA GLN 112 8.422 8.411 6.347
285 HB2 GLN 112 HB2 GLN 112 7.031 7.973 8.340
286 HB3 GLN 112 HB1 GLN 112 5.692 7.524 7.297
287 HG2 GLN 112 HG2 GLN 112 6.861 5.587 8.264
288 HG3 GLN 112 HG1 GLN 112 6.883 5.599 6.502
289 HE21 GLN 112 HE21 GLN 112 8.800 5.710 5.439
290 HE22 GLN 112 HE22 GLN 112 10.339 5.681 6.232
291 H ILE 113 HN ILE 113 8.884 7.778 4.361
292 HA ILE 113 HA ILE 113 6.869 7.545 2.347
293 HB ILE 113 HB ILE 113 8.663 6.823 0.833
294 HG12 ILE 113 HG12 ILE 113 10.018 5.641 2.642
295 HG13 ILE 113 HG11 ILE 113 10.930 6.581 1.470
296 HG21 ILE 113 HG21 ILE 113 9.313 9.264 2.475
297 HG22 ILE 113 HG22 ILE 113 8.212 9.179 1.099
298 HG23 ILE 113 HG23 ILE 113 9.941 8.921 0.862
299 HD11 ILE 113 HD11 ILE 113 11.805 6.870 3.713
300 HD12 ILE 113 HD12 ILE 113 10.234 7.449 4.267
301 HD13 ILE 113 HD13 ILE 113 11.157 8.388 3.092
302 HA PRO 114 HA PRO 114 6.155 3.191 3.024
303 HB2 PRO 114 HB2 PRO 114 4.142 2.938 1.244
304 HB3 PRO 114 HB1 PRO 114 3.933 3.679 2.833
305 HG2 PRO 114 HG2 PRO 114 4.079 4.943 0.164
306 HG3 PRO 114 HG1 PRO 114 3.248 5.492 1.626
307 HD2 PRO 114 HD2 PRO 114 5.723 6.410 0.636
308 HD3 PRO 114 HD1 PRO 114 5.003 6.779 2.212
309 HA PRO 115 HA PRO 115 8.806 1.621 -0.320
310 HB2 PRO 115 HB2 PRO 115 8.010 -0.894 1.052
311 HB3 PRO 115 HB1 PRO 115 9.610 -0.329 0.593
312 HG2 PRO 115 HG2 PRO 115 8.849 -0.265 3.127
313 HG3 PRO 115 HG1 PRO 115 9.794 1.069 2.439
314 HD2 PRO 115 HD2 PRO 115 6.869 0.922 3.034
315 HD3 PRO 115 HD1 PRO 115 8.004 2.274 3.234
316 HA PRO 116 HA PRO 116 5.631 0.246 -3.277
317 HB2 PRO 116 HB2 PRO 116 7.748 -0.630 -4.921
318 HB3 PRO 116 HB1 PRO 116 6.869 0.902 -5.059
319 HG2 PRO 116 HG2 PRO 116 9.391 0.286 -3.582
320 HG3 PRO 116 HG1 PRO 116 8.995 1.693 -4.606
321 HD2 PRO 116 HD2 PRO 116 8.773 2.017 -2.099
322 HD3 PRO 116 HD1 PRO 116 7.386 2.445 -3.067
323 H TYR 117 HN TYR 117 5.833 -1.311 -4.609
324 HA TYR 117 HA TYR 117 5.641 -3.863 -3.245
325 HB2 TYR 117 HB2 TYR 117 4.621 -4.754 -5.240
326 HB3 TYR 117 HB1 TYR 117 3.946 -3.163 -4.928
327 HD1 TYR 117 HD1 TYR 117 5.109 -1.185 -6.259
328 HD2 TYR 117 HD2 TYR 117 5.300 -5.290 -7.364
329 HE1 TYR 117 HE1 TYR 117 5.633 -0.539 -8.575
330 HE2 TYR 117 HE2 TYR 117 5.828 -4.652 -9.677
331 HH TYR 117 HH TYR 117 6.769 -1.561 -10.573
332 H VAL 118 HN VAL 118 7.279 -5.256 -3.017
333 HA VAL 118 HA VAL 118 9.633 -5.038 -4.717
334 HB VAL 118 HB VAL 118 9.220 -6.968 -2.431
335 HG11 VAL 118 HG11 VAL 118 11.161 -7.421 -3.804
336 HG12 VAL 118 HG12 VAL 118 11.668 -6.810 -2.228
337 HG13 VAL 118 HG13 VAL 118 11.700 -5.750 -3.637
338 HG21 VAL 118 HG21 VAL 118 10.212 -4.124 -2.264
339 HG22 VAL 118 HG22 VAL 118 10.258 -5.302 -0.952
340 HG23 VAL 118 HG23 VAL 118 8.709 -4.749 -1.586
341 H GLU 119 HN GLU 119 6.765 -6.458 -4.932
342 HA GLU 119 HA GLU 119 7.372 -9.150 -5.618
343 HB2 GLU 119 HB2 GLU 119 4.919 -7.594 -6.428
344 HB3 GLU 119 HB1 GLU 119 5.065 -9.328 -6.179
345 HG2 GLU 119 HG2 GLU 119 5.264 -7.230 -4.035
346 HG3 GLU 119 HG1 GLU 119 3.855 -8.236 -4.360
347 HA PRO 120 HA PRO 120 8.796 -8.199 -9.775
348 HB2 PRO 120 HB2 PRO 120 8.826 -11.116 -10.090
349 HB3 PRO 120 HB1 PRO 120 10.165 -9.969 -10.164
350 HG2 PRO 120 HG2 PRO 120 9.876 -11.696 -8.116
351 HG3 PRO 120 HG1 PRO 120 10.559 -10.072 -7.895
352 HD2 PRO 120 HD2 PRO 120 7.791 -11.062 -7.306
353 HD3 PRO 120 HD1 PRO 120 8.830 -9.988 -6.345
Start of MODEL 20
1 H PHE 12 H PHE 12 -11.438 -8.743 -0.122
2 HA PHE 12 HA PHE 12 -12.943 -6.987 -0.769
3 HB2 PHE 12 HB2 PHE 12 -12.802 -7.745 1.592
4 HB3 PHE 12 HB1 PHE 12 -11.609 -6.493 1.907
5 HD1 PHE 12 HD2 PHE 12 -15.065 -6.848 0.550
6 HD2 PHE 12 HD1 PHE 12 -12.332 -4.527 2.842
7 HE1 PHE 12 HE2 PHE 12 -16.871 -5.267 1.095
8 HE2 PHE 12 HE1 PHE 12 -14.131 -2.942 3.393
9 HZ PHE 12 HZ PHE 12 -16.404 -3.309 2.515
10 H LEU 13 HN LEU 13 -9.858 -6.209 -1.256
11 HA LEU 13 HA LEU 13 -10.344 -3.307 -1.217
12 HB2 LEU 13 HB2 LEU 13 -7.853 -4.951 -0.996
13 HB3 LEU 13 HB1 LEU 13 -7.757 -3.322 -1.632
14 HG LEU 13 HG LEU 13 -8.844 -2.529 0.508
15 HD11 LEU 13 HD11 LEU 13 -9.814 -4.637 1.235
16 HD12 LEU 13 HD12 LEU 13 -8.710 -3.990 2.450
17 HD13 LEU 13 HD13 LEU 13 -8.199 -5.327 1.419
18 HD21 LEU 13 HD21 LEU 13 -6.765 -2.643 1.787
19 HD22 LEU 13 HD22 LEU 13 -6.460 -2.291 0.086
20 HD23 LEU 13 HD23 LEU 13 -6.174 -3.914 0.715
21 HA PRO 14 HA PRO 14 -10.177 -2.825 -5.661
22 HB2 PRO 14 HB2 PRO 14 -7.934 -1.034 -4.857
23 HB3 PRO 14 HB1 PRO 14 -9.126 -0.807 -6.141
24 HG2 PRO 14 HG2 PRO 14 -9.545 0.345 -3.968
25 HG3 PRO 14 HG1 PRO 14 -10.872 -0.629 -4.558
26 HD2 PRO 14 HD2 PRO 14 -8.872 -1.279 -2.394
27 HD3 PRO 14 HD1 PRO 14 -10.635 -1.537 -2.390
28 H LYS 15 HN LYS 15 -9.053 -3.162 -7.336
29 HA LYS 15 HA LYS 15 -7.510 -5.537 -7.204
30 HB2 LYS 15 HB2 LYS 15 -7.265 -5.365 -9.614
31 HB3 LYS 15 HB1 LYS 15 -8.914 -4.988 -9.139
32 HG2 LYS 15 HG2 LYS 15 -8.587 -2.674 -9.514
33 HG3 LYS 15 HG1 LYS 15 -6.842 -2.883 -9.686
34 HD2 LYS 15 HD2 LYS 15 -7.120 -4.091 -11.726
35 HD3 LYS 15 HD1 LYS 15 -8.867 -4.149 -11.508
36 HE2 LYS 15 HE2 LYS 15 -7.197 -1.680 -11.984
37 HE3 LYS 15 HE1 LYS 15 -8.257 -2.464 -13.156
38 HZ1 LYS 15 HZ1 LYS 15 -10.095 -2.032 -11.491
39 HZ2 LYS 15 HZ2 LYS 15 -9.481 -0.681 -12.307
40 HZ3 LYS 15 HZ3 LYS 15 -9.012 -0.986 -10.704
41 H GLY 16 HN GLY 16 -5.407 -5.931 -7.220
42 HA2 GLY 16 HA2 GLY 16 -3.134 -5.611 -7.264
43 HA3 GLY 16 HA1 GLY 16 -3.407 -4.071 -8.055
44 H TRP 17 HN TRP 17 -5.214 -3.997 -5.271
45 HA TRP 17 HA TRP 17 -3.152 -2.455 -3.913
46 HB2 TRP 17 HB2 TRP 17 -6.110 -2.778 -3.469
47 HB3 TRP 17 HB1 TRP 17 -5.079 -2.006 -2.268
48 HD1 TRP 17 HD1 TRP 17 -6.172 -1.530 -5.960
49 HE1 TRP 17 HE1 TRP 17 -6.065 0.977 -6.489
50 HE3 TRP 17 HE3 TRP 17 -4.114 0.143 -1.576
51 HZ2 TRP 17 HZ2 TRP 17 -5.196 3.360 -5.231
52 HZ3 TRP 17 HZ3 TRP 17 -3.672 2.552 -1.329
53 HH2 TRP 17 HH2 TRP 17 -4.202 4.125 -3.119
54 H GLU 18 HN GLU 18 -1.858 -3.362 -2.547
55 HA GLU 18 HA GLU 18 -2.734 -5.833 -1.215
56 HB2 GLU 18 HB2 GLU 18 -0.216 -5.052 -2.540
57 HB3 GLU 18 HB1 GLU 18 -0.054 -5.982 -1.058
58 HG2 GLU 18 HG2 GLU 18 -1.753 -6.813 -3.390
59 HG3 GLU 18 HG1 GLU 18 -0.090 -7.315 -3.135
60 H VAL 19 HN VAL 19 -2.093 -6.243 0.833
61 HA VAL 19 HA VAL 19 -1.293 -3.895 2.437
62 HB VAL 19 HB VAL 19 -2.955 -6.193 3.464
63 HG11 VAL 19 HG11 VAL 19 -1.780 -4.896 5.151
64 HG12 VAL 19 HG12 VAL 19 -3.521 -4.636 5.262
65 HG13 VAL 19 HG13 VAL 19 -2.492 -3.409 4.522
66 HG21 VAL 19 HG21 VAL 19 -3.975 -3.559 2.421
67 HG22 VAL 19 HG22 VAL 19 -4.938 -4.789 3.237
68 HG23 VAL 19 HG23 VAL 19 -4.210 -5.135 1.667
69 H ARG 20 HN ARG 20 0.765 -4.204 3.089
70 HA ARG 20 HA ARG 20 1.434 -6.863 4.161
71 HB2 ARG 20 HB2 ARG 20 2.553 -6.406 1.932
72 HB3 ARG 20 HB1 ARG 20 3.393 -5.069 2.720
73 HG2 ARG 20 HG2 ARG 20 4.125 -6.872 4.438
74 HG3 ARG 20 HG1 ARG 20 3.702 -8.007 3.156
75 HD2 ARG 20 HD2 ARG 20 5.615 -5.707 2.880
76 HD3 ARG 20 HD1 ARG 20 6.091 -7.377 3.166
77 HE ARG 20 HE ARG 20 4.555 -6.645 0.764
78 HH11 ARG 20 HH11 ARG 20 7.425 -7.970 2.266
79 HH12 ARG 20 HH12 ARG 20 8.018 -8.685 0.797
80 HH21 ARG 20 HH21 ARG 20 5.381 -7.545 -1.209
81 HH22 ARG 20 HH22 ARG 20 6.875 -8.426 -1.157
82 H HIS 21 HN HIS 21 2.502 -6.882 6.092
83 HA HIS 21 HA HIS 21 2.809 -4.329 7.486
84 HB2 HIS 21 HB2 HIS 21 2.425 -7.111 8.258
85 HB3 HIS 21 HB1 HIS 21 3.740 -6.375 9.148
86 HD1 HIS 21 HD1 HIS 21 1.573 -7.274 10.809
87 HD2 HIS 21 HD2 HIS 21 1.406 -3.445 9.066
88 HE1 HIS 21 HE1 HIS 21 -0.001 -5.922 12.220
89 HE2 HIS 21 HE2 HIS 21 -0.287 -3.762 11.000
90 H ALA 22 HN ALA 22 4.672 -3.290 7.221
91 HA ALA 22 HA ALA 22 7.109 -4.511 6.394
92 HB1 ALA 22 HB1 ALA 22 6.610 -1.792 7.623
93 HB2 ALA 22 HB2 ALA 22 6.585 -2.168 5.900
94 HB3 ALA 22 HB3 ALA 22 8.091 -2.300 6.810
95 HA PRO 23 HA PRO 23 8.982 -5.946 10.113
96 HB2 PRO 23 HB2 PRO 23 11.254 -4.067 9.762
97 HB3 PRO 23 HB1 PRO 23 11.260 -5.827 9.921
98 HG2 PRO 23 HG2 PRO 23 11.690 -4.668 7.562
99 HG3 PRO 23 HG1 PRO 23 10.737 -6.158 7.683
100 HD2 PRO 23 HD2 PRO 23 9.815 -3.342 7.292
101 HD3 PRO 23 HD1 PRO 23 9.190 -4.842 6.578
102 H ASN 24 HN ASN 24 8.302 -2.612 9.814
103 HA ASN 24 HA ASN 24 9.146 -1.890 12.473
104 HB2 ASN 24 HB2 ASN 24 8.286 0.313 11.990
105 HB3 ASN 24 HB1 ASN 24 9.233 -0.239 10.616
106 HD21 ASN 24 HD21 ASN 24 7.295 1.823 10.626
107 HD22 ASN 24 HD22 ASN 24 6.027 1.346 9.549
108 H GLY 25 HN GLY 25 6.456 -3.295 10.969
109 HA2 GLY 25 HA2 GLY 25 4.786 -4.356 12.321
110 HA3 GLY 25 HA1 GLY 25 4.968 -3.049 13.472
111 H ARG 26 HN ARG 26 4.934 -1.897 10.319
112 HA ARG 26 HA ARG 26 2.093 -1.160 10.587
113 HB2 ARG 26 HB2 ARG 26 4.482 0.295 9.488
114 HB3 ARG 26 HB1 ARG 26 2.885 0.658 8.854
115 HG2 ARG 26 HG2 ARG 26 3.644 0.835 11.761
116 HG3 ARG 26 HG1 ARG 26 3.601 2.198 10.639
117 HD2 ARG 26 HD2 ARG 26 1.314 0.509 11.620
118 HD3 ARG 26 HD1 ARG 26 1.539 2.249 11.790
119 HE ARG 26 HE ARG 26 1.423 1.548 9.053
120 HH11 ARG 26 HH11 ARG 26 -0.604 2.046 11.867
121 HH12 ARG 26 HH12 ARG 26 -2.066 2.241 10.934
122 HH21 ARG 26 HH21 ARG 26 -0.505 1.796 7.828
123 HH22 ARG 26 HH22 ARG 26 -2.006 2.089 8.648
124 HA PRO 27 HA PRO 27 1.519 -3.051 6.543
125 HB2 PRO 27 HB2 PRO 27 -1.089 -2.557 6.272
126 HB3 PRO 27 HB1 PRO 27 -0.533 -3.714 7.489
127 HG2 PRO 27 HG2 PRO 27 -1.289 -0.826 7.840
128 HG3 PRO 27 HG1 PRO 27 -1.788 -2.233 8.806
129 HD2 PRO 27 HD2 PRO 27 0.270 -0.637 9.540
130 HD3 PRO 27 HD1 PRO 27 0.193 -2.302 9.957
131 H PHE 28 HN PHE 28 2.259 -2.038 4.867
132 HA PHE 28 HA PHE 28 1.249 0.621 4.179
133 HB2 PHE 28 HB2 PHE 28 3.246 0.789 2.700
134 HB3 PHE 28 HB1 PHE 28 3.660 0.614 4.393
135 HD1 PHE 28 HD1 PHE 28 3.791 -2.131 4.988
136 HD2 PHE 28 HD2 PHE 28 4.765 -0.220 1.305
137 HE1 PHE 28 HE1 PHE 28 5.324 -3.969 4.439
138 HE2 PHE 28 HE2 PHE 28 6.278 -2.072 0.753
139 HZ PHE 28 HZ PHE 28 6.563 -3.946 2.316
140 H PHE 29 HN PHE 29 -0.094 0.794 2.550
141 HA PHE 29 HA PHE 29 -0.845 -1.648 1.168
142 HB2 PHE 29 HB2 PHE 29 -2.184 1.070 1.176
143 HB3 PHE 29 HB1 PHE 29 -2.830 -0.399 0.450
144 HD1 PHE 29 HD2 PHE 29 -1.543 0.736 3.777
145 HD2 PHE 29 HD1 PHE 29 -4.445 -1.504 1.620
146 HE1 PHE 29 HE2 PHE 29 -2.674 0.176 5.887
147 HE2 PHE 29 HE1 PHE 29 -5.581 -2.063 3.728
148 HZ PHE 29 HZ PHE 29 -4.693 -1.225 5.865
149 H ILE 30 HN ILE 30 -0.119 -2.077 -0.752
150 HA ILE 30 HA ILE 30 1.148 0.082 -2.277
151 HB ILE 30 HB ILE 30 1.461 -2.876 -2.780
152 HG12 ILE 30 HG12 ILE 30 3.350 -1.126 -1.258
153 HG13 ILE 30 HG11 ILE 30 2.166 -2.137 -0.449
154 HG21 ILE 30 HG21 ILE 30 2.076 -1.388 -4.619
155 HG22 ILE 30 HG22 ILE 30 3.507 -2.156 -3.928
156 HG23 ILE 30 HG23 ILE 30 3.132 -0.477 -3.539
157 HD11 ILE 30 HD11 ILE 30 4.392 -3.082 -2.242
158 HD12 ILE 30 HD12 ILE 30 3.194 -4.115 -1.461
159 HD13 ILE 30 HD13 ILE 30 4.344 -3.201 -0.485
160 H ASP 31 HN ASP 31 0.373 0.714 -4.124
161 HA ASP 31 HA ASP 31 -1.768 -0.786 -5.432
162 HB2 ASP 31 HB2 ASP 31 -2.157 1.571 -5.467
163 HB3 ASP 31 HB1 ASP 31 -0.509 1.907 -5.992
164 H HIS 32 HN HIS 32 -1.167 -2.417 -6.644
165 HA HIS 32 HA HIS 32 1.557 -2.525 -7.660
166 HB2 HIS 32 HB2 HIS 32 -0.644 -4.599 -7.492
167 HB3 HIS 32 HB1 HIS 32 0.924 -4.914 -8.217
168 HD1 HIS 32 HD1 HIS 32 1.860 -6.568 -6.498
169 HD2 HIS 32 HD2 HIS 32 0.449 -3.056 -4.775
170 HE1 HIS 32 HE1 HIS 32 2.583 -6.613 -4.062
171 HE2 HIS 32 HE2 HIS 32 1.500 -4.622 -3.035
172 H ASN 33 HN ASN 33 -1.070 -1.112 -8.797
173 HA ASN 33 HA ASN 33 -1.000 -2.148 -11.520
174 HB2 ASN 33 HB2 ASN 33 -2.588 0.190 -10.441
175 HB3 ASN 33 HB1 ASN 33 -2.824 -0.620 -11.985
176 HD21 ASN 33 HD21 ASN 33 -3.423 -0.649 -8.618
177 HD22 ASN 33 HD22 ASN 33 -4.485 -2.031 -8.598
178 H THR 34 HN THR 34 -0.679 1.060 -9.994
179 HA THR 34 HA THR 34 0.920 1.924 -12.317
180 HB THR 34 HB THR 34 -0.504 3.660 -10.288
181 HG1 THR 34 HG1 THR 34 -2.142 2.703 -11.355
182 HG21 THR 34 HG21 THR 34 0.598 4.278 -13.029
183 HG22 THR 34 HG22 THR 34 1.313 4.782 -11.498
184 HG23 THR 34 HG23 THR 34 -0.263 5.408 -11.985
185 H LYS 35 HN LYS 35 1.125 0.991 -9.152
186 HA LYS 35 HA LYS 35 2.813 0.836 -7.675
187 HB2 LYS 35 HB2 LYS 35 4.248 0.683 -9.777
188 HB3 LYS 35 HB1 LYS 35 4.587 2.391 -9.557
189 HG2 LYS 35 HG2 LYS 35 5.124 0.435 -7.352
190 HG3 LYS 35 HG1 LYS 35 6.263 0.634 -8.680
191 HD2 LYS 35 HD2 LYS 35 5.281 2.930 -6.996
192 HD3 LYS 35 HD1 LYS 35 6.722 1.994 -6.602
193 HE2 LYS 35 HE2 LYS 35 7.483 3.903 -7.765
194 HE3 LYS 35 HE1 LYS 35 7.577 2.567 -8.908
195 HZ1 LYS 35 HZ1 LYS 35 6.641 4.684 -9.811
196 HZ2 LYS 35 HZ2 LYS 35 5.292 4.459 -8.810
197 HZ3 LYS 35 HZ3 LYS 35 5.647 3.330 -10.023
198 H THR 36 HN THR 36 1.493 2.138 -6.411
199 HA THR 36 HA THR 36 2.888 4.567 -5.582
200 HB THR 36 HB THR 36 0.574 5.558 -5.024
201 HG1 THR 36 HG1 THR 36 -0.127 3.596 -6.968
202 HG21 THR 36 HG21 THR 36 0.353 6.595 -7.236
203 HG22 THR 36 HG22 THR 36 1.443 5.384 -7.914
204 HG23 THR 36 HG23 THR 36 2.035 6.534 -6.714
205 H THR 37 HN THR 37 2.597 4.988 -3.280
206 HA THR 37 HA THR 37 1.556 2.643 -1.851
207 HB THR 37 HB THR 37 3.591 3.035 -0.292
208 HG1 THR 37 HG1 THR 37 5.390 3.896 -1.395
209 HG21 THR 37 HG21 THR 37 4.935 1.479 -1.638
210 HG22 THR 37 HG22 THR 37 3.918 1.816 -3.039
211 HG23 THR 37 HG23 THR 37 3.233 1.014 -1.626
212 H THR 38 HN THR 38 0.530 2.995 0.029
213 HA THR 38 HA THR 38 0.766 5.544 1.412
214 HB THR 38 HB THR 38 -1.023 5.798 -0.364
215 HG1 THR 38 HG1 THR 38 -1.188 6.380 2.300
216 HG21 THR 38 HG21 THR 38 -1.966 3.552 -0.285
217 HG22 THR 38 HG22 THR 38 -3.207 4.760 0.047
218 HG23 THR 38 HG23 THR 38 -2.512 3.824 1.370
219 H TRP 39 HN TRP 39 0.095 5.361 3.646
220 HA TRP 39 HA TRP 39 0.036 2.591 4.594
221 HB2 TRP 39 HB2 TRP 39 -0.057 5.085 6.287
222 HB3 TRP 39 HB1 TRP 39 0.414 3.465 6.780
223 HD1 TRP 39 HD1 TRP 39 1.712 6.552 4.973
224 HE1 TRP 39 HE1 TRP 39 4.294 6.373 4.826
225 HE3 TRP 39 HE3 TRP 39 2.285 1.775 6.678
226 HZ2 TRP 39 HZ2 TRP 39 6.297 4.432 5.397
227 HZ3 TRP 39 HZ3 TRP 39 4.543 0.832 6.868
228 HH2 TRP 39 HH2 TRP 39 6.504 2.127 6.242
229 H GLU 40 HN GLU 40 -1.964 5.311 4.192
230 HA GLU 40 HA GLU 40 -3.941 4.475 6.112
231 HB2 GLU 40 HB2 GLU 40 -5.113 6.575 5.057
232 HB3 GLU 40 HB1 GLU 40 -3.749 6.762 6.152
233 HG2 GLU 40 HG2 GLU 40 -3.316 6.626 3.209
234 HG3 GLU 40 HG1 GLU 40 -3.807 8.133 3.972
235 H ASP 41 HN ASP 41 -5.655 3.400 5.732
236 HA ASP 41 HA ASP 41 -6.000 1.753 3.553
237 HB2 ASP 41 HB2 ASP 41 -8.130 2.693 5.489
238 HB3 ASP 41 HB1 ASP 41 -8.244 1.275 4.458
239 HA PRO 42 HA PRO 42 -7.759 4.385 0.425
240 HB2 PRO 42 HB2 PRO 42 -8.822 2.395 -1.138
241 HB3 PRO 42 HB1 PRO 42 -7.116 2.854 -1.148
242 HG2 PRO 42 HG2 PRO 42 -8.460 0.598 0.283
243 HG3 PRO 42 HG1 PRO 42 -6.922 0.604 -0.601
244 HD2 PRO 42 HD2 PRO 42 -7.010 0.721 2.082
245 HD3 PRO 42 HD1 PRO 42 -5.778 1.598 1.151
246 H ARG 43 HN ARG 43 -9.512 2.324 2.497
247 HA ARG 43 HA ARG 43 -12.125 2.972 1.473
248 HB2 ARG 43 HB2 ARG 43 -11.236 1.607 4.014
249 HB3 ARG 43 HB1 ARG 43 -12.923 1.874 3.594
250 HG2 ARG 43 HG2 ARG 43 -10.959 0.276 1.959
251 HG3 ARG 43 HG1 ARG 43 -12.160 -0.399 3.060
252 HD2 ARG 43 HD2 ARG 43 -13.946 0.623 1.713
253 HD3 ARG 43 HD1 ARG 43 -12.732 1.258 0.604
254 HE ARG 43 HE ARG 43 -12.578 -1.586 0.936
255 HH11 ARG 43 HH11 ARG 43 -14.244 0.975 -0.782
256 HH12 ARG 43 HH12 ARG 43 -14.612 -0.020 -2.164
257 HH21 ARG 43 HH21 ARG 43 -13.088 -2.909 -0.858
258 HH22 ARG 43 HH22 ARG 43 -13.963 -2.236 -2.203
259 H LEU 44 HN LEU 44 -9.843 4.619 3.279
260 HA LEU 44 HA LEU 44 -11.616 5.985 5.052
261 HB2 LEU 44 HB2 LEU 44 -8.790 6.655 4.262
262 HB3 LEU 44 HB1 LEU 44 -9.684 7.437 5.552
263 HG LEU 44 HG LEU 44 -8.861 4.533 5.485
264 HD11 LEU 44 HD11 LEU 44 -6.983 6.039 5.828
265 HD12 LEU 44 HD12 LEU 44 -7.364 5.167 7.314
266 HD13 LEU 44 HD13 LEU 44 -7.854 6.851 7.128
267 HD21 LEU 44 HD21 LEU 44 -10.257 6.124 7.636
268 HD22 LEU 44 HD22 LEU 44 -9.675 4.467 7.794
269 HD23 LEU 44 HD23 LEU 44 -10.976 4.841 6.662
270 H LYS 45 HN LYS 45 -11.102 6.202 1.857
271 HA LYS 45 HA LYS 45 -11.698 9.071 1.724
272 HB2 LYS 45 HB2 LYS 45 -9.708 8.262 0.449
273 HB3 LYS 45 HB1 LYS 45 -10.786 7.270 -0.527
274 HG2 LYS 45 HG2 LYS 45 -11.985 9.337 -1.200
275 HG3 LYS 45 HG1 LYS 45 -10.768 10.271 -0.335
276 HD2 LYS 45 HD2 LYS 45 -9.029 9.334 -1.786
277 HD3 LYS 45 HD1 LYS 45 -10.261 8.420 -2.661
278 HE2 LYS 45 HE2 LYS 45 -10.034 11.420 -2.459
279 HE3 LYS 45 HE1 LYS 45 -9.713 10.432 -3.883
280 HZ1 LYS 45 HZ1 LYS 45 -12.024 9.806 -3.967
281 HZ2 LYS 45 HZ2 LYS 45 -11.901 11.499 -3.948
282 HZ3 LYS 45 HZ3 LYS 45 -12.357 10.668 -2.545
283 H GLN 112 H GLN 112 4.964 9.200 5.939
284 HA GLN 112 HA GLN 112 7.868 8.678 5.696
285 HB2 GLN 112 HB2 GLN 112 6.456 7.754 7.685
286 HB3 GLN 112 HB1 GLN 112 5.740 6.701 6.476
287 HG2 GLN 112 HG2 GLN 112 7.439 5.431 7.431
288 HG3 GLN 112 HG1 GLN 112 8.127 6.006 5.913
289 HE21 GLN 112 HE21 GLN 112 9.789 7.531 5.960
290 HE22 GLN 112 HE22 GLN 112 10.635 7.930 7.422
291 H ILE 113 HN ILE 113 8.464 7.883 3.769
292 HA ILE 113 HA ILE 113 6.474 7.415 1.731
293 HB ILE 113 HB ILE 113 9.476 7.097 1.619
294 HG12 ILE 113 HG12 ILE 113 7.695 9.344 0.648
295 HG13 ILE 113 HG11 ILE 113 8.715 9.408 2.079
296 HG21 ILE 113 HG21 ILE 113 8.376 5.757 -0.087
297 HG22 ILE 113 HG22 ILE 113 9.182 7.143 -0.819
298 HG23 ILE 113 HG23 ILE 113 7.432 7.156 -0.602
299 HD11 ILE 113 HD11 ILE 113 9.740 10.581 0.225
300 HD12 ILE 113 HD12 ILE 113 9.664 9.122 -0.764
301 HD13 ILE 113 HD13 ILE 113 10.697 9.166 0.664
302 HA PRO 114 HA PRO 114 6.416 3.010 2.833
303 HB2 PRO 114 HB2 PRO 114 4.307 2.755 0.856
304 HB3 PRO 114 HB1 PRO 114 4.227 2.524 2.604
305 HG2 PRO 114 HG2 PRO 114 3.030 4.595 1.300
306 HG3 PRO 114 HG1 PRO 114 3.568 4.674 2.986
307 HD2 PRO 114 HD2 PRO 114 4.851 5.785 0.532
308 HD3 PRO 114 HD1 PRO 114 4.764 6.452 2.175
309 HA PRO 115 HA PRO 115 8.933 1.566 -0.655
310 HB2 PRO 115 HB2 PRO 115 8.337 -0.987 0.762
311 HB3 PRO 115 HB1 PRO 115 9.876 -0.352 0.193
312 HG2 PRO 115 HG2 PRO 115 9.285 -0.308 2.772
313 HG3 PRO 115 HG1 PRO 115 10.120 1.065 2.017
314 HD2 PRO 115 HD2 PRO 115 7.253 0.795 2.819
315 HD3 PRO 115 HD1 PRO 115 8.331 2.204 2.918
316 HA PRO 116 HA PRO 116 5.696 0.089 -3.470
317 HB2 PRO 116 HB2 PRO 116 7.747 -0.925 -5.132
318 HB3 PRO 116 HB1 PRO 116 6.899 0.620 -5.317
319 HG2 PRO 116 HG2 PRO 116 9.452 0.008 -3.898
320 HG3 PRO 116 HG1 PRO 116 9.045 1.386 -4.955
321 HD2 PRO 116 HD2 PRO 116 8.930 1.794 -2.451
322 HD3 PRO 116 HD1 PRO 116 7.525 2.234 -3.386
323 H TYR 117 HN TYR 117 5.812 -1.513 -4.765
324 HA TYR 117 HA TYR 117 5.405 -3.976 -3.307
325 HB2 TYR 117 HB2 TYR 117 4.353 -4.860 -5.258
326 HB3 TYR 117 HB1 TYR 117 3.871 -3.177 -5.134
327 HD1 TYR 117 HD2 TYR 117 5.942 -5.579 -6.988
328 HD2 TYR 117 HD1 TYR 117 4.454 -1.598 -6.864
329 HE1 TYR 117 HE2 TYR 117 6.649 -5.258 -9.311
330 HE2 TYR 117 HE1 TYR 117 5.155 -1.262 -9.198
331 HH TYR 117 HH TYR 117 6.116 -3.841 -11.222
332 H VAL 118 HN VAL 118 6.385 -5.970 -3.582
333 HA VAL 118 HA VAL 118 8.974 -5.925 -4.998
334 HB VAL 118 HB VAL 118 8.112 -7.813 -2.790
335 HG11 VAL 118 HG11 VAL 118 10.483 -8.401 -2.678
336 HG12 VAL 118 HG12 VAL 118 10.814 -7.322 -4.032
337 HG13 VAL 118 HG13 VAL 118 9.805 -8.749 -4.270
338 HG21 VAL 118 HG21 VAL 118 9.621 -6.543 -1.330
339 HG22 VAL 118 HG22 VAL 118 8.288 -5.548 -1.916
340 HG23 VAL 118 HG23 VAL 118 9.891 -5.383 -2.629
341 H GLU 119 HN GLU 119 5.910 -7.451 -4.599
342 HA GLU 119 HA GLU 119 6.461 -9.797 -6.142
343 HB2 GLU 119 HB2 GLU 119 3.711 -8.681 -5.670
344 HB3 GLU 119 HB1 GLU 119 4.204 -10.360 -5.809
345 HG2 GLU 119 HG2 GLU 119 3.861 -10.269 -3.572
346 HG3 GLU 119 HG1 GLU 119 5.550 -9.763 -3.605
347 HA PRO 120 HA PRO 120 6.009 -7.604 -10.030
348 HB2 PRO 120 HB2 PRO 120 6.552 -10.151 -11.315
349 HB3 PRO 120 HB1 PRO 120 7.572 -8.714 -11.242
350 HG2 PRO 120 HG2 PRO 120 8.174 -11.036 -9.961
351 HG3 PRO 120 HG1 PRO 120 8.685 -9.442 -9.377
352 HD2 PRO 120 HD2 PRO 120 6.405 -11.155 -8.466
353 HD3 PRO 120 HD1 PRO 120 7.549 -10.195 -7.502