Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652038 | 6svh RC | 34434 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 5 H SER 5 -11.518 -3.487 -4.481
2 H1 SER 5 H SER 5 -12.128 -4.156 -4.943
3 HA SER 5 HA SER 5 -13.444 -4.349 -5.377
4 HA SER 5 HA SER 5 -14.321 -4.777 -5.569
5 HB2 SER 5 HB2 SER 5 -11.834 -6.323 -5.049
6 HB2 SER 5 HB2 SER 5 -14.588 -7.160 -4.665
7 HB3 SER 5 HB3 SER 5 -12.843 -6.764 -3.672
8 HB3 SER 5 HB3 SER 5 -13.101 -6.808 -5.547
9 HG SER 5 HG SER 5 -13.495 -6.707 -6.410
10 HG SER 5 HG SER 5 -12.042 -7.302 -3.814
11 H LYS 6 H LYS 6 -13.227 -4.942 -1.895
12 H LYS 6 H LYS 6 -14.110 -5.869 -2.185
13 HA LYS 6 HA LYS 6 -16.108 -4.370 -1.703
14 HA LYS 6 HA LYS 6 -16.824 -4.821 -1.767
15 HB2 LYS 6 HB2 LYS 6 -14.525 -6.566 -0.407
16 HB2 LYS 6 HB2 LYS 6 -15.378 -6.796 -0.007
17 HB3 LYS 6 HB3 LYS 6 -15.972 -5.939 0.371
18 HB3 LYS 6 HB3 LYS 6 -17.099 -6.434 -0.036
19 HG2 LYS 6 HG2 LYS 6 -17.317 -6.554 -1.531
20 HG2 LYS 6 HG2 LYS 6 -17.306 -7.454 -2.224
21 HG3 LYS 6 HG3 LYS 6 -15.881 -7.065 -2.421
22 HG3 LYS 6 HG3 LYS 6 -15.567 -7.757 -2.266
23 HD2 LYS 6 HD2 LYS 6 -16.038 -8.364 0.159
24 HD2 LYS 6 HD2 LYS 6 -17.452 -8.883 -0.198
25 HD3 LYS 6 HD3 LYS 6 -17.498 -8.646 -0.792
26 HD3 LYS 6 HD3 LYS 6 -16.910 -9.751 -1.636
27 HE2 LYS 6 HE2 LYS 6 -14.838 -8.945 -2.101
28 HE2 LYS 6 HE2 LYS 6 -14.555 -9.386 -0.845
29 HE3 LYS 6 HE3 LYS 6 -15.404 -10.218 -1.022
30 HE3 LYS 6 HE3 LYS 6 -15.228 -8.767 0.662
31 HZ1 LYS 6 HZ1 LYS 6 -17.497 -10.213 -2.391
32 HZ1 LYS 6 HZ1 LYS 6 -15.800 -11.470 -0.420
33 HZ2 LYS 6 HZ2 LYS 6 -16.117 -10.807 -3.166
34 HZ2 LYS 6 HZ2 LYS 6 -16.233 -10.868 1.100
35 HZ3 LYS 6 HZ3 LYS 6 -16.677 -9.249 -3.514
36 HZ3 LYS 6 HZ3 LYS 6 -14.606 -11.148 0.735
37 H LEU 7 H LEU 7 -15.901 -2.270 -1.045
38 H LEU 7 H LEU 7 -14.925 -2.897 -1.716
39 HA LEU 7 HA LEU 7 -14.705 -1.882 1.609
40 HA LEU 7 HA LEU 7 -13.946 -2.472 0.961
41 HB2 LEU 7 HB2 LEU 7 -14.546 0.386 -0.278
42 HB2 LEU 7 HB2 LEU 7 -13.694 -1.161 -1.656
43 HB3 LEU 7 HB3 LEU 7 -13.441 -0.100 1.005
44 HB3 LEU 7 HB3 LEU 7 -13.656 -0.072 -0.272
45 HG LEU 7 HG LEU 7 -13.643 -1.460 -1.679
46 HG LEU 7 HG LEU 7 -11.729 -1.194 0.627
47 HD11 LEU 7 HD11 LEU 7 -12.840 0.803 -1.974
48 HD11 LEU 7 HD11 LEU 7 -12.560 -3.301 -1.186
49 HD12 LEU 7 HD12 LEU 7 -11.510 -0.338 -2.173
50 HD12 LEU 7 HD12 LEU 7 -11.536 -3.379 0.247
51 HD13 LEU 7 HD13 LEU 7 -11.664 0.582 -0.676
52 HD13 LEU 7 HD13 LEU 7 -10.838 -2.943 -1.313
53 HD21 LEU 7 HD21 LEU 7 -12.298 -2.083 0.811
54 HD21 LEU 7 HD21 LEU 7 -11.615 -0.401 -2.258
55 HD22 LEU 7 HD22 LEU 7 -11.166 -1.933 -0.532
56 HD22 LEU 7 HD22 LEU 7 -10.164 -0.945 -1.413
57 HD23 LEU 7 HD23 LEU 7 -12.512 -3.069 -0.636
58 HD23 LEU 7 HD23 LEU 7 -11.043 0.472 -0.835
59 HA PRO 8 HA PRO 8 -18.482 0.101 2.650
60 HA PRO 8 HA PRO 8 -17.341 -0.265 2.657
61 HB2 PRO 8 HB2 PRO 8 -17.629 1.866 4.528
62 HB2 PRO 8 HB2 PRO 8 -16.063 1.522 4.251
63 HB3 PRO 8 HB3 PRO 8 -17.724 0.125 4.819
64 HB3 PRO 8 HB3 PRO 8 -16.162 -0.202 4.628
65 HG2 PRO 8 HG2 PRO 8 -15.347 1.799 4.107
66 HG2 PRO 8 HG2 PRO 8 -13.916 1.341 3.386
67 HG3 PRO 8 HG3 PRO 8 -15.479 0.494 5.301
68 HG3 PRO 8 HG3 PRO 8 -13.854 0.083 4.635
69 HD2 PRO 8 HD2 PRO 8 -14.389 0.122 2.852
70 HD2 PRO 8 HD2 PRO 8 -13.294 -0.419 2.034
71 HD3 PRO 8 HD3 PRO 8 -15.277 -1.157 3.706
72 HD3 PRO 8 HD3 PRO 8 -14.037 -1.627 3.102
73 HA PRO 9 HA PRO 9 -19.073 3.954 0.615
74 HA PRO 9 HA PRO 9 -18.154 3.437 0.427
75 HB2 PRO 9 HB2 PRO 9 -20.652 5.370 2.312
76 HB2 PRO 9 HB2 PRO 9 -19.753 4.787 2.157
77 HB3 PRO 9 HB3 PRO 9 -21.235 3.976 1.394
78 HB3 PRO 9 HB3 PRO 9 -20.288 3.353 1.275
79 HG2 PRO 9 HG2 PRO 9 -20.345 4.128 4.248
80 HG2 PRO 9 HG2 PRO 9 -19.318 3.588 4.096
81 HG3 PRO 9 HG3 PRO 9 -21.739 3.279 3.555
82 HG3 PRO 9 HG3 PRO 9 -20.685 2.658 3.458
83 HD2 PRO 9 HD2 PRO 9 -19.438 2.010 4.206
84 HD2 PRO 9 HD2 PRO 9 -18.299 1.522 4.048
85 HD3 PRO 9 HD3 PRO 9 -20.462 1.495 2.850
86 HD3 PRO 9 HD3 PRO 9 -19.336 0.935 2.732
87 H GLY 10 H GLY 10 -16.851 4.649 0.727
88 H GLY 10 H GLY 10 -17.334 5.459 0.114
89 HA2 GLY 10 HA2 GLY 10 -16.189 7.114 1.237
90 HA2 GLY 10 HA2 GLY 10 -16.465 7.555 0.781
91 HA3 GLY 10 HA3 GLY 10 -16.217 6.528 2.893
92 HA3 GLY 10 HA3 GLY 10 -16.177 6.898 2.385
93 H TRP 11 H TRP 11 -15.150 4.571 0.195
94 H TRP 11 H TRP 11 -14.875 4.486 1.307
95 HA TRP 11 HA TRP 11 -12.354 5.108 0.676
96 HA TRP 11 HA TRP 11 -12.239 5.661 0.946
97 HB2 TRP 11 HB2 TRP 11 -13.674 2.575 1.605
98 HB2 TRP 11 HB2 TRP 11 -13.077 2.780 1.347
99 HB3 TRP 11 HB3 TRP 11 -11.989 2.563 1.093
100 HB3 TRP 11 HB3 TRP 11 -11.415 3.360 1.299
101 HD1 TRP 11 HD1 TRP 11 -14.150 3.306 4.035
102 HD1 TRP 11 HD1 TRP 11 -14.563 3.521 3.505
103 HE1 TRP 11 HE1 TRP 11 -12.732 4.268 5.953
104 HE1 TRP 11 HE1 TRP 11 -13.842 4.122 5.902
105 HE3 TRP 11 HE3 TRP 11 -9.822 4.215 1.468
106 HE3 TRP 11 HE3 TRP 11 -9.606 4.435 2.655
107 HZ2 TRP 11 HZ2 TRP 11 -10.123 5.280 6.332
108 HZ2 TRP 11 HZ2 TRP 11 -11.483 4.885 7.253
109 HZ3 TRP 11 HZ3 TRP 11 -7.913 5.183 2.683
110 HZ3 TRP 11 HZ3 TRP 11 -8.185 5.096 4.552
111 HH2 TRP 11 HH2 TRP 11 -8.063 5.703 5.063
112 HH2 TRP 11 HH2 TRP 11 -9.106 5.316 6.803
113 H GLU 12 H GLU 12 -11.572 5.222 -1.316
114 H GLU 12 H GLU 12 -10.870 5.231 -0.786
115 HA GLU 12 HA GLU 12 -12.569 3.317 -3.331
116 HA GLU 12 HA GLU 12 -12.066 3.874 -3.102
117 HB2 GLU 12 HB2 GLU 12 -12.562 4.948 -4.913
118 HB2 GLU 12 HB2 GLU 12 -11.771 6.627 -2.914
119 HB3 GLU 12 HB3 GLU 12 -12.752 5.987 -3.508
120 HB3 GLU 12 HB3 GLU 12 -10.372 6.120 -3.850
121 HG2 GLU 12 HG2 GLU 12 -11.050 7.074 -4.527
122 HG2 GLU 12 HG2 GLU 12 -13.275 5.847 -4.500
123 HG3 GLU 12 HG3 GLU 12 -10.110 5.937 -3.561
124 HG3 GLU 12 HG3 GLU 12 -11.977 6.556 -5.460
125 H LYS 13 H LYS 13 -11.060 2.460 -4.847
126 H LYS 13 H LYS 13 -10.650 2.777 -4.430
127 HA LYS 13 HA LYS 13 -8.511 1.857 -3.659
128 HA LYS 13 HA LYS 13 -8.039 2.228 -3.262
129 HB2 LYS 13 HB2 LYS 13 -10.122 0.382 -5.167
130 HB2 LYS 13 HB2 LYS 13 -9.334 0.295 -3.856
131 HB3 LYS 13 HB3 LYS 13 -9.162 1.080 -6.465
132 HB3 LYS 13 HB3 LYS 13 -9.605 0.908 -5.482
133 HG2 LYS 13 HG2 LYS 13 -7.241 0.005 -5.809
134 HG2 LYS 13 HG2 LYS 13 -7.172 0.714 -5.909
135 HG3 LYS 13 HG3 LYS 13 -7.777 -0.161 -4.135
136 HG3 LYS 13 HG3 LYS 13 -6.992 -0.028 -4.317
137 HD2 LYS 13 HD2 LYS 13 -9.634 -1.674 -5.243
138 HD2 LYS 13 HD2 LYS 13 -8.997 -1.171 -6.199
139 HD3 LYS 13 HD3 LYS 13 -8.422 -1.831 -6.515
140 HD3 LYS 13 HD3 LYS 13 -7.287 -1.493 -6.494
141 HE2 LYS 13 HE2 LYS 13 -8.157 -3.639 -4.952
142 HE2 LYS 13 HE2 LYS 13 -8.102 -1.852 -3.708
143 HE3 LYS 13 HE3 LYS 13 -6.781 -2.545 -4.805
144 HE3 LYS 13 HE3 LYS 13 -8.914 -2.938 -4.833
145 HZ1 LYS 13 HZ1 LYS 13 -8.578 -1.584 -3.002
146 HZ1 LYS 13 HZ1 LYS 13 -6.191 -2.847 -5.488
147 HZ2 LYS 13 HZ2 LYS 13 -7.235 -2.547 -2.641
148 HZ2 LYS 13 HZ2 LYS 13 -7.090 -4.162 -4.919
149 HZ3 LYS 13 HZ3 LYS 13 -8.753 -3.261 -2.857
150 HZ3 LYS 13 HZ3 LYS 13 -6.316 -3.128 -3.825
151 H ARG 14 H ARG 14 -6.797 3.129 -3.842
152 H ARG 14 H ARG 14 -6.271 3.230 -3.936
153 HA ARG 14 HA ARG 14 -6.484 4.720 -6.303
154 HA ARG 14 HA ARG 14 -6.163 4.181 -6.722
155 HB2 ARG 14 HB2 ARG 14 -6.311 5.446 -3.497
156 HB2 ARG 14 HB2 ARG 14 -4.974 5.562 -4.308
157 HB3 ARG 14 HB3 ARG 14 -4.833 5.852 -4.360
158 HB3 ARG 14 HB3 ARG 14 -4.883 6.120 -5.974
159 HG2 ARG 14 HG2 ARG 14 -6.719 6.767 -6.083
160 HG2 ARG 14 HG2 ARG 14 -7.616 5.665 -5.111
161 HG3 ARG 14 HG3 ARG 14 -7.503 7.040 -4.527
162 HG3 ARG 14 HG3 ARG 14 -6.772 6.844 -4.106
163 HD2 ARG 14 HD2 ARG 14 -6.129 8.726 -4.019
164 HD2 ARG 14 HD2 ARG 14 -7.051 6.914 -7.108
165 HD3 ARG 14 HD3 ARG 14 -4.703 7.817 -4.520
166 HD3 ARG 14 HD3 ARG 14 -7.886 7.953 -5.954
167 HE ARG 14 HE ARG 14 -6.117 9.783 -6.043
168 HE ARG 14 HE ARG 14 -5.286 8.415 -5.403
169 HH11 ARG 14 HH11 ARG 14 -4.168 6.905 -6.261
170 HH11 ARG 14 HH11 ARG 14 -7.125 8.432 -8.360
171 HH12 ARG 14 HH12 ARG 14 -3.583 7.264 -7.852
172 HH12 ARG 14 HH12 ARG 14 -6.139 9.640 -9.118
173 HH21 ARG 14 HH21 ARG 14 -5.354 10.266 -8.136
174 HH21 ARG 14 HH21 ARG 14 -3.982 10.005 -6.391
175 HH22 ARG 14 HH22 ARG 14 -4.258 9.178 -8.918
176 HH22 ARG 14 HH22 ARG 14 -4.352 10.532 -7.997
177 H MET 15 H MET 15 -4.307 5.064 -7.060
178 H MET 15 H MET 15 -3.845 4.617 -7.420
179 HA MET 15 HA MET 15 -2.475 2.895 -6.269
180 HA MET 15 HA MET 15 -1.988 2.690 -6.206
181 HB2 MET 15 HB2 MET 15 -3.631 3.212 -8.722
182 HB2 MET 15 HB2 MET 15 -2.857 1.546 -8.116
183 HB3 MET 15 HB3 MET 15 -2.110 4.069 -8.944
184 HB3 MET 15 HB3 MET 15 -2.679 2.971 -9.129
185 HG2 MET 15 HG2 MET 15 -1.520 1.640 -7.632
186 HG2 MET 15 HG2 MET 15 -0.398 2.715 -9.326
187 HG3 MET 15 HG3 MET 15 -2.611 1.271 -8.967
188 HG3 MET 15 HG3 MET 15 -0.276 1.754 -7.856
189 HE1 MET 15 HE1 MET 15 -1.111 1.587 -11.984
190 HE1 MET 15 HE1 MET 15 -0.253 1.532 -11.724
191 HE2 MET 15 HE2 MET 15 -2.470 2.286 -11.104
192 HE2 MET 15 HE2 MET 15 -1.494 0.317 -12.033
193 HE3 MET 15 HE3 MET 15 -1.170 3.325 -11.691
194 HE3 MET 15 HE3 MET 15 -1.937 1.872 -11.325
195 H SER 16 H SER 16 -0.155 3.493 -7.228
196 H SER 16 H SER 16 0.034 3.426 -5.929
197 HA SER 16 HA SER 16 0.469 6.150 -6.128
198 HA SER 16 HA SER 16 0.652 6.132 -6.198
199 HB2 SER 16 HB2 SER 16 1.506 3.683 -5.448
200 HB2 SER 16 HB2 SER 16 1.798 4.072 -4.883
201 HB3 SER 16 HB3 SER 16 2.733 4.338 -6.531
202 HB3 SER 16 HB3 SER 16 2.927 4.229 -6.228
203 HG SER 16 HG SER 16 2.281 6.337 -5.080
204 HG SER 16 HG SER 16 2.128 6.542 -4.867
205 H ARG 17 H ARG 17 2.643 7.006 -7.071
206 H ARG 17 H ARG 17 2.661 6.920 -7.418
207 HA ARG 17 HA ARG 17 2.537 6.735 -10.005
208 HA ARG 17 HA ARG 17 2.546 5.916 -10.185
209 HB2 ARG 17 HB2 ARG 17 1.661 8.888 -9.460
210 HB2 ARG 17 HB2 ARG 17 1.518 8.072 -10.140
211 HB3 ARG 17 HB3 ARG 17 2.958 9.195 -8.312
212 HB3 ARG 17 HB3 ARG 17 2.814 8.737 -9.155
213 HG2 ARG 17 HG2 ARG 17 4.567 9.288 -10.141
214 HG2 ARG 17 HG2 ARG 17 4.369 8.447 -11.034
215 HG3 ARG 17 HG3 ARG 17 3.274 8.963 -11.297
216 HG3 ARG 17 HG3 ARG 17 3.039 7.830 -12.017
217 HD2 ARG 17 HD2 ARG 17 3.653 11.391 -9.562
218 HD2 ARG 17 HD2 ARG 17 3.405 10.595 -10.896
219 HD3 ARG 17 HD3 ARG 17 3.637 11.305 -11.323
220 HD3 ARG 17 HD3 ARG 17 3.281 10.112 -12.587
221 HE ARG 17 HE ARG 17 1.171 10.412 -10.594
222 HE ARG 17 HE ARG 17 0.907 9.339 -11.546
223 HH11 ARG 17 HH11 ARG 17 3.021 13.287 -9.931
224 HH11 ARG 17 HH11 ARG 17 2.673 12.339 -11.515
225 HH12 ARG 17 HH12 ARG 17 1.627 14.304 -9.772
226 HH12 ARG 17 HH12 ARG 17 1.251 13.327 -11.449
227 HH21 ARG 17 HH21 ARG 17 -0.670 11.741 -10.387
228 HH21 ARG 17 HH21 ARG 17 -0.974 10.629 -11.461
229 HH22 ARG 17 HH22 ARG 17 -0.472 13.423 -10.031
230 HH22 ARG 17 HH22 ARG 17 -0.823 12.354 -11.418
231 H ASN 18 H ASN 18 4.542 7.182 -7.159
232 H ASN 18 H ASN 18 4.533 6.889 -7.522
233 HA ASN 18 HA ASN 18 6.918 6.611 -8.807
234 HA ASN 18 HA ASN 18 6.981 6.994 -9.036
235 HB2 ASN 18 HB2 ASN 18 6.759 8.876 -7.592
236 HB2 ASN 18 HB2 ASN 18 6.272 8.088 -6.684
237 HB3 ASN 18 HB3 ASN 18 7.012 7.954 -6.114
238 HB3 ASN 18 HB3 ASN 18 7.066 6.633 -6.090
239 HD21 ASN 18 HD21 ASN 18 8.850 9.680 -6.377
240 HD21 ASN 18 HD21 ASN 18 9.059 6.311 -7.943
241 HD22 ASN 18 HD22 ASN 18 10.320 9.053 -7.032
242 HD22 ASN 18 HD22 ASN 18 10.169 7.630 -7.832
243 H SER 19 H SER 19 5.523 4.447 -8.117
244 H SER 19 H SER 19 5.622 4.776 -6.601
245 HA SER 19 HA SER 19 7.349 2.946 -6.563
246 HA SER 19 HA SER 19 7.579 2.752 -7.433
247 HB2 SER 19 HB2 SER 19 5.239 4.231 -5.101
248 HB2 SER 19 HB2 SER 19 6.937 1.578 -5.339
249 HB3 SER 19 HB3 SER 19 4.996 2.485 -5.054
250 HB3 SER 19 HB3 SER 19 7.553 3.204 -5.041
251 HG SER 19 HG SER 19 6.855 2.234 -3.999
252 HG SER 19 HG SER 19 5.752 3.252 -3.894
253 H GLY 20 H GLY 20 3.806 2.745 -6.908
254 H GLY 20 H GLY 20 4.177 2.763 -6.341
255 HA2 GLY 20 HA2 GLY 20 3.004 1.418 -8.885
256 HA2 GLY 20 HA2 GLY 20 2.534 2.007 -8.086
257 HA3 GLY 20 HA3 GLY 20 4.218 0.236 -8.416
258 HA3 GLY 20 HA3 GLY 20 3.649 0.678 -8.367
259 H ARG 21 H ARG 21 3.708 0.596 -5.553
260 H ARG 21 H ARG 21 2.960 1.927 -5.173
261 HA ARG 21 HA ARG 21 1.869 -1.444 -5.140
262 HA ARG 21 HA ARG 21 1.939 -0.691 -4.412
263 HB2 ARG 21 HB2 ARG 21 2.541 0.727 -3.151
264 HB2 ARG 21 HB2 ARG 21 3.238 1.554 -3.042
265 HB3 ARG 21 HB3 ARG 21 1.982 -0.901 -2.796
266 HB3 ARG 21 HB3 ARG 21 1.920 0.833 -2.127
267 HG2 ARG 21 HG2 ARG 21 4.055 -1.678 -2.797
268 HG2 ARG 21 HG2 ARG 21 3.038 -1.098 -1.775
269 HG3 ARG 21 HG3 ARG 21 4.368 -0.995 -4.392
270 HG3 ARG 21 HG3 ARG 21 3.857 -1.036 -3.337
271 HD2 ARG 21 HD2 ARG 21 5.877 -0.177 -2.559
272 HD2 ARG 21 HD2 ARG 21 5.323 -0.743 -1.302
273 HD3 ARG 21 HD3 ARG 21 5.041 1.083 -3.466
274 HD3 ARG 21 HD3 ARG 21 5.462 0.504 -2.543
275 HE ARG 21 HE ARG 21 4.011 1.710 -1.531
276 HE ARG 21 HE ARG 21 4.744 2.024 -1.008
277 HH11 ARG 21 HH11 ARG 21 5.165 -1.554 -1.168
278 HH11 ARG 21 HH11 ARG 21 3.757 -1.147 0.033
279 HH12 ARG 21 HH12 ARG 21 4.729 -1.661 0.506
280 HH12 ARG 21 HH12 ARG 21 3.121 -0.596 1.548
281 HH21 ARG 21 HH21 ARG 21 3.433 1.582 0.671
282 HH21 ARG 21 HH21 ARG 21 3.909 2.764 0.982
283 HH22 ARG 21 HH22 ARG 21 3.742 0.125 1.551
284 HH22 ARG 21 HH22 ARG 21 3.207 1.629 2.086
285 H VAL 22 H VAL 22 -0.048 -0.999 -3.465
286 H VAL 22 H VAL 22 -0.150 -1.122 -4.151
287 HA VAL 22 HA VAL 22 -1.690 1.206 -4.514
288 HA VAL 22 HA VAL 22 -2.135 0.877 -4.627
289 HB VAL 22 HB VAL 22 -3.672 -0.383 -4.293
290 HB VAL 22 HB VAL 22 -2.425 -1.987 -3.711
291 HG11 VAL 22 HG11 VAL 22 -3.134 0.248 -6.465
292 HG11 VAL 22 HG11 VAL 22 -4.517 -0.060 -4.717
293 HG12 VAL 22 HG12 VAL 22 -1.573 -0.576 -6.423
294 HG12 VAL 22 HG12 VAL 22 -4.772 -1.775 -4.385
295 HG13 VAL 22 HG13 VAL 22 -3.064 -1.512 -6.532
296 HG13 VAL 22 HG13 VAL 22 -4.372 -0.670 -3.070
297 HG21 VAL 22 HG21 VAL 22 -3.312 -2.715 -4.330
298 HG21 VAL 22 HG21 VAL 22 -2.120 -2.571 -5.832
299 HG22 VAL 22 HG22 VAL 22 -1.577 -2.522 -4.587
300 HG22 VAL 22 HG22 VAL 22 -3.371 -1.448 -6.361
301 HG23 VAL 22 HG23 VAL 22 -2.292 -2.096 -3.032
302 HG23 VAL 22 HG23 VAL 22 -1.703 -0.898 -6.203
303 H TYR 23 H TYR 23 -3.635 1.619 -3.121
304 H TYR 23 H TYR 23 -3.480 1.901 -3.228
305 HA TYR 23 HA TYR 23 -3.627 0.711 -0.414
306 HA TYR 23 HA TYR 23 -3.457 1.173 -0.404
307 HB2 TYR 23 HB2 TYR 23 -3.202 3.041 0.535
308 HB2 TYR 23 HB2 TYR 23 -2.946 3.451 0.325
309 HB3 TYR 23 HB3 TYR 23 -1.794 2.162 -0.053
310 HB3 TYR 23 HB3 TYR 23 -1.624 2.795 -0.633
311 HD1 TYR 23 HD1 TYR 23 -3.971 5.042 -0.563
312 HD1 TYR 23 HD1 TYR 23 -4.364 5.236 -0.563
313 HD2 TYR 23 HD2 TYR 23 -0.682 2.845 -2.130
314 HD2 TYR 23 HD2 TYR 23 -1.071 3.723 -2.793
315 HE1 TYR 23 HE1 TYR 23 -3.407 6.939 -2.024
316 HE1 TYR 23 HE1 TYR 23 -4.469 7.201 -2.041
317 HE2 TYR 23 HE2 TYR 23 -0.109 4.736 -3.594
318 HE2 TYR 23 HE2 TYR 23 -1.167 5.684 -4.275
319 HH TYR 23 HH TYR 23 -1.024 6.681 -4.533
320 HH TYR 23 HH TYR 23 -3.512 7.495 -4.780
321 H TYR 24 H TYR 24 -5.036 2.512 0.904
322 H TYR 24 H TYR 24 -4.963 2.834 0.804
323 HA TYR 24 HA TYR 24 -7.406 2.954 -0.788
324 HA TYR 24 HA TYR 24 -7.317 3.316 -0.903
325 HB2 TYR 24 HB2 TYR 24 -7.425 2.707 2.218
326 HB2 TYR 24 HB2 TYR 24 -7.475 2.533 2.004
327 HB3 TYR 24 HB3 TYR 24 -8.783 2.568 1.106
328 HB3 TYR 24 HB3 TYR 24 -8.769 2.550 0.812
329 HD1 TYR 24 HD1 TYR 24 -5.794 0.871 2.425
330 HD1 TYR 24 HD1 TYR 24 -6.506 0.506 2.541
331 HD2 TYR 24 HD2 TYR 24 -9.252 0.503 -0.026
332 HD2 TYR 24 HD2 TYR 24 -8.363 0.950 -1.261
333 HE1 TYR 24 HE1 TYR 24 -5.487 -1.569 2.367
334 HE1 TYR 24 HE1 TYR 24 -6.091 -1.871 2.068
335 HE2 TYR 24 HE2 TYR 24 -8.955 -1.937 -0.089
336 HE2 TYR 24 HE2 TYR 24 -7.954 -1.427 -1.744
337 HH TYR 24 HH TYR 24 -7.732 -3.687 1.606
338 HH TYR 24 HH TYR 24 -7.158 -3.662 0.557
339 H PHE 25 H PHE 25 -8.591 4.866 -0.565
340 H PHE 25 H PHE 25 -8.215 5.283 -0.788
341 HA PHE 25 HA PHE 25 -7.324 7.010 0.995
342 HA PHE 25 HA PHE 25 -7.391 7.061 1.409
343 HB2 PHE 25 HB2 PHE 25 -6.536 7.377 -1.236
344 HB2 PHE 25 HB2 PHE 25 -6.142 7.790 -0.489
345 HB3 PHE 25 HB3 PHE 25 -8.143 7.120 -1.909
346 HB3 PHE 25 HB3 PHE 25 -7.548 7.671 -1.543
347 HD1 PHE 25 HD1 PHE 25 -6.519 9.316 0.637
348 HD1 PHE 25 HD1 PHE 25 -6.248 9.510 1.414
349 HD2 PHE 25 HD2 PHE 25 -9.261 8.991 -2.600
350 HD2 PHE 25 HD2 PHE 25 -8.863 9.537 -1.946
351 HE1 PHE 25 HE1 PHE 25 -6.954 11.734 0.768
352 HE1 PHE 25 HE1 PHE 25 -6.752 11.882 1.830
353 HE2 PHE 25 HE2 PHE 25 -9.700 11.409 -2.477
354 HE2 PHE 25 HE2 PHE 25 -9.371 11.909 -1.535
355 HZ PHE 25 HZ PHE 25 -8.546 12.783 -0.791
356 HZ PHE 25 HZ PHE 25 -8.314 13.085 0.354
357 H ASN 26 H ASN 26 -8.719 8.090 2.224
358 H ASN 26 H ASN 26 -8.920 8.508 2.171
359 HA ASN 26 HA ASN 26 -11.578 7.633 1.822
360 HA ASN 26 HA ASN 26 -11.673 7.957 1.300
361 HB2 ASN 26 HB2 ASN 26 -10.587 7.210 4.060
362 HB2 ASN 26 HB2 ASN 26 -10.927 7.532 3.720
363 HB3 ASN 26 HB3 ASN 26 -10.149 8.914 4.162
364 HB3 ASN 26 HB3 ASN 26 -10.889 9.284 3.890
365 HD21 ASN 26 HD21 ASN 26 -12.568 6.595 4.648
366 HD21 ASN 26 HD21 ASN 26 -12.569 7.301 5.213
367 HD22 ASN 26 HD22 ASN 26 -13.844 7.670 5.102
368 HD22 ASN 26 HD22 ASN 26 -14.201 7.757 4.873
369 H HIS 27 H HIS 27 -12.638 9.069 0.636
370 H HIS 27 H HIS 27 -12.778 9.491 0.282
371 HA HIS 27 HA HIS 27 -11.672 11.816 0.457
372 HA HIS 27 HA HIS 27 -11.610 12.097 -0.110
373 HB2 HIS 27 HB2 HIS 27 -13.099 12.052 -1.447
374 HB2 HIS 27 HB2 HIS 27 -13.659 12.475 -1.525
375 HB3 HIS 27 HB3 HIS 27 -12.299 10.490 -1.593
376 HB3 HIS 27 HB3 HIS 27 -12.667 11.105 -2.014
377 HD1 HIS 27 HD1 HIS 27 -14.992 11.163 -3.016
378 HD1 HIS 27 HD1 HIS 27 -15.972 11.935 -0.441
379 HD2 HIS 27 HD2 HIS 27 -14.639 9.151 0.601
380 HD2 HIS 27 HD2 HIS 27 -13.896 8.620 -1.843
381 HE1 HIS 27 HE1 HIS 27 -17.108 9.823 -2.783
382 HE1 HIS 27 HE1 HIS 27 -17.651 10.064 -0.494
383 H ILE 28 H ILE 28 -12.824 10.982 2.933
384 H ILE 28 H ILE 28 -13.844 10.695 2.052
385 HA ILE 28 HA ILE 28 -15.187 12.741 2.991
386 HA ILE 28 HA ILE 28 -15.239 13.161 2.648
387 HB ILE 28 HB ILE 28 -14.786 10.245 4.644
388 HB ILE 28 HB ILE 28 -15.324 10.468 4.010
389 HG12 ILE 28 HG12 ILE 28 -15.401 9.771 2.309
390 HG12 ILE 28 HG12 ILE 28 -17.246 11.841 2.119
391 HG13 ILE 28 HG13 ILE 28 -16.714 9.368 3.411
392 HG13 ILE 28 HG13 ILE 28 -16.247 10.439 1.750
393 HG21 ILE 28 HG21 ILE 28 -17.437 11.275 4.755
394 HG21 ILE 28 HG21 ILE 28 -17.019 12.921 4.457
395 HG22 ILE 28 HG22 ILE 28 -16.279 11.060 6.066
396 HG22 ILE 28 HG22 ILE 28 -17.325 11.330 5.154
397 HG23 ILE 28 HG23 ILE 28 -16.311 12.571 5.159
398 HG23 ILE 28 HG23 ILE 28 -15.866 12.219 5.593
399 HD11 ILE 28 HD11 ILE 28 -17.330 11.930 2.743
400 HD11 ILE 28 HD11 ILE 28 -17.474 9.153 3.447
401 HD12 ILE 28 HD12 ILE 28 -16.602 11.330 1.252
402 HD12 ILE 28 HD12 ILE 28 -18.508 10.554 3.729
403 HD13 ILE 28 HD13 ILE 28 -17.981 10.491 1.960
404 HD13 ILE 28 HD13 ILE 28 -18.516 9.754 2.157
405 H THR 29 H THR 29 -12.431 11.427 4.763
406 H THR 29 H THR 29 -12.935 11.019 4.302
407 HA THR 29 HA THR 29 -12.493 13.822 6.481
408 HA THR 29 HA THR 29 -12.571 12.982 6.422
409 HB THR 29 HB THR 29 -11.047 11.682 7.741
410 HB THR 29 HB THR 29 -10.782 11.111 7.081
411 HG1 THR 29 HG1 THR 29 -12.333 10.148 6.893
412 HG1 THR 29 HG1 THR 29 -11.060 9.283 6.046
413 HG21 THR 29 HG21 THR 29 -12.842 12.096 9.502
414 HG21 THR 29 HG21 THR 29 -13.719 10.561 7.452
415 HG22 THR 29 HG22 THR 29 -13.486 13.317 8.403
416 HG22 THR 29 HG22 THR 29 -12.885 11.870 8.289
417 HG23 THR 29 HG23 THR 29 -11.852 13.480 9.043
418 HG23 THR 29 HG23 THR 29 -12.392 10.198 8.556
419 H ASN 30 H ASN 30 -11.081 13.264 3.930
420 H ASN 30 H ASN 30 -11.113 12.050 3.472
421 HA ASN 30 HA ASN 30 -9.010 13.441 2.986
422 HA ASN 30 HA ASN 30 -9.278 12.791 2.351
423 HB2 ASN 30 HB2 ASN 30 -8.852 15.214 5.410
424 HB2 ASN 30 HB2 ASN 30 -10.193 15.004 3.369
425 HB3 ASN 30 HB3 ASN 30 -7.477 15.051 4.322
426 HB3 ASN 30 HB3 ASN 30 -8.819 14.875 4.465
427 HD21 ASN 30 HD21 ASN 30 -7.821 15.588 2.068
428 HD21 ASN 30 HD21 ASN 30 -6.705 14.359 3.262
429 HD22 ASN 30 HD22 ASN 30 -8.974 16.808 1.659
430 HD22 ASN 30 HD22 ASN 30 -6.400 15.318 1.857
431 H ALA 31 H ALA 31 -9.377 11.112 4.603
432 H ALA 31 H ALA 31 -8.633 10.625 3.530
433 HA ALA 31 HA ALA 31 -6.763 10.744 5.878
434 HA ALA 31 HA ALA 31 -5.925 11.044 4.467
435 HB1 ALA 31 HB1 ALA 31 -8.179 8.409 6.260
436 HB1 ALA 31 HB1 ALA 31 -7.739 9.375 6.185
437 HB2 ALA 31 HB2 ALA 31 -8.036 9.739 7.409
438 HB2 ALA 31 HB2 ALA 31 -6.107 9.941 6.536
439 HB3 ALA 31 HB3 ALA 31 -9.422 9.658 6.321
440 HB3 ALA 31 HB3 ALA 31 -7.447 11.085 6.500
441 H SER 32 H SER 32 -5.496 8.861 5.405
442 H SER 32 H SER 32 -4.665 9.067 4.503
443 HA SER 32 HA SER 32 -6.111 7.265 3.090
444 HA SER 32 HA SER 32 -5.849 6.943 2.834
445 HB2 SER 32 HB2 SER 32 -3.536 8.724 2.791
446 HB2 SER 32 HB2 SER 32 -3.933 8.559 1.927
447 HB3 SER 32 HB3 SER 32 -4.637 8.117 1.554
448 HB3 SER 32 HB3 SER 32 -2.904 7.410 2.783
449 HG SER 32 HG SER 32 -4.422 10.557 2.185
450 HG SER 32 HG SER 32 -3.430 5.874 1.396
451 H GLN 33 H GLN 33 -5.803 5.463 4.335
452 H GLN 33 H GLN 33 -5.077 4.800 3.181
453 HA GLN 33 HA GLN 33 -3.097 5.069 5.434
454 HA GLN 33 HA GLN 33 -3.416 4.274 5.495
455 HB2 GLN 33 HB2 GLN 33 -4.147 3.392 6.948
456 HB2 GLN 33 HB2 GLN 33 -5.723 4.582 6.407
457 HB3 GLN 33 HB3 GLN 33 -4.719 5.034 7.208
458 HB3 GLN 33 HB3 GLN 33 -6.249 3.231 5.413
459 HG2 GLN 33 HG2 GLN 33 -6.805 4.592 6.321
460 HG2 GLN 33 HG2 GLN 33 -4.872 1.708 6.618
461 HG3 GLN 33 HG3 GLN 33 -6.237 3.187 5.422
462 HG3 GLN 33 HG3 GLN 33 -4.082 3.024 7.485
463 HE21 GLN 33 HE21 GLN 33 -8.205 2.271 6.428
464 HE21 GLN 33 HE21 GLN 33 -7.482 2.290 6.797
465 HE22 GLN 33 HE22 GLN 33 -8.054 1.557 7.994
466 HE22 GLN 33 HE22 GLN 33 -7.997 2.304 8.446
467 H PHE 34 H PHE 34 -2.237 2.885 5.326
468 H PHE 34 H PHE 34 -2.290 2.429 5.273
469 HA PHE 34 HA PHE 34 -2.758 1.696 2.748
470 HA PHE 34 HA PHE 34 -2.601 0.939 2.822
471 HB2 PHE 34 HB2 PHE 34 -0.838 0.694 4.849
472 HB2 PHE 34 HB2 PHE 34 -0.640 0.622 5.104
473 HB3 PHE 34 HB3 PHE 34 -0.784 0.407 3.113
474 HB3 PHE 34 HB3 PHE 34 -0.568 -0.263 3.585
475 HD1 PHE 34 HD1 PHE 34 0.832 2.058 5.603
476 HD1 PHE 34 HD1 PHE 34 0.916 2.283 5.273
477 HD2 PHE 34 HD2 PHE 34 -0.887 2.833 1.786
478 HD2 PHE 34 HD2 PHE 34 -0.857 1.507 1.482
479 HE1 PHE 34 HE1 PHE 34 2.314 4.002 5.333
480 HE1 PHE 34 HE1 PHE 34 2.245 4.102 4.284
481 HE2 PHE 34 HE2 PHE 34 0.594 4.776 1.510
482 HE2 PHE 34 HE2 PHE 34 0.469 3.325 0.486
483 HZ PHE 34 HZ PHE 34 2.197 5.363 3.284
484 HZ PHE 34 HZ PHE 34 2.024 4.624 1.886
485 H GLU 35 H GLU 35 -3.411 0.992 6.098
486 H GLU 35 H GLU 35 -3.178 0.443 6.244
487 HA GLU 35 HA GLU 35 -4.073 -1.754 5.752
488 HA GLU 35 HA GLU 35 -3.691 -2.368 6.010
489 HB2 GLU 35 HB2 GLU 35 -3.556 -0.326 7.921
490 HB2 GLU 35 HB2 GLU 35 -4.560 -0.539 8.247
491 HB3 GLU 35 HB3 GLU 35 -5.303 -0.122 7.931
492 HB3 GLU 35 HB3 GLU 35 -4.328 -2.281 8.316
493 HG2 GLU 35 HG2 GLU 35 -5.701 -2.336 8.359
494 HG2 GLU 35 HG2 GLU 35 -1.869 -1.516 7.552
495 HG3 GLU 35 HG3 GLU 35 -4.179 -2.863 7.642
496 HG3 GLU 35 HG3 GLU 35 -2.362 -0.098 8.475
497 H ARG 36 H ARG 36 -6.001 -2.734 5.354
498 H ARG 36 H ARG 36 -5.558 -3.396 5.604
499 HA ARG 36 HA ARG 36 -7.936 -1.387 3.846
500 HA ARG 36 HA ARG 36 -7.682 -2.181 4.329
501 HB2 ARG 36 HB2 ARG 36 -7.542 -3.815 3.713
502 HB2 ARG 36 HB2 ARG 36 -7.264 -4.591 4.236
503 HB3 ARG 36 HB3 ARG 36 -8.207 -4.007 5.330
504 HB3 ARG 36 HB3 ARG 36 -7.707 -4.745 5.931
505 HG2 ARG 36 HG2 ARG 36 -10.338 -2.970 4.401
506 HG2 ARG 36 HG2 ARG 36 -9.970 -3.752 5.201
507 HG3 ARG 36 HG3 ARG 36 -9.631 -3.237 2.805
508 HG3 ARG 36 HG3 ARG 36 -9.455 -4.189 3.571
509 HD2 ARG 36 HD2 ARG 36 -10.281 -5.359 2.857
510 HD2 ARG 36 HD2 ARG 36 -9.024 -6.514 4.481
511 HD3 ARG 36 HD3 ARG 36 -9.342 -5.624 4.324
512 HD3 ARG 36 HD3 ARG 36 -9.880 -6.001 5.935
513 HE ARG 36 HE ARG 36 -11.615 -4.445 5.223
514 HE ARG 36 HE ARG 36 -11.342 -5.573 3.490
515 HH11 ARG 36 HH11 ARG 36 -10.956 -7.217 3.223
516 HH11 ARG 36 HH11 ARG 36 -10.616 -7.806 6.060
517 HH12 ARG 36 HH12 ARG 36 -12.376 -8.076 3.720
518 HH12 ARG 36 HH12 ARG 36 -12.070 -8.724 5.850
519 HH21 ARG 36 HH21 ARG 36 -13.487 -5.566 5.885
520 HH21 ARG 36 HH21 ARG 36 -13.260 -6.773 3.203
521 HH22 ARG 36 HH22 ARG 36 -13.815 -7.135 5.234
522 HH22 ARG 36 HH22 ARG 36 -13.573 -8.136 4.224
523 HA PRO 37 HA PRO 37 -10.349 0.583 6.982
524 HA PRO 37 HA PRO 37 -9.488 -0.110 7.886
525 HB2 PRO 37 HB2 PRO 37 -12.512 1.171 5.451
526 HB2 PRO 37 HB2 PRO 37 -11.244 1.357 6.427
527 HB3 PRO 37 HB3 PRO 37 -10.985 2.056 5.338
528 HB3 PRO 37 HB3 PRO 37 -9.539 1.790 6.596
529 HG2 PRO 37 HG2 PRO 37 -12.036 -0.139 3.595
530 HG2 PRO 37 HG2 PRO 37 -10.922 0.382 4.345
531 HG3 PRO 37 HG3 PRO 37 -11.216 1.364 3.130
532 HG3 PRO 37 HG3 PRO 37 -9.698 1.662 4.279
533 HD2 PRO 37 HD2 PRO 37 -9.937 -1.022 3.234
534 HD2 PRO 37 HD2 PRO 37 -9.095 -0.949 3.893
535 HD3 PRO 37 HD3 PRO 37 -9.124 0.514 3.596
536 HD3 PRO 37 HD3 PRO 37 -7.959 0.192 4.640
537 H SER 38 H SER 38 -11.783 -0.094 8.473
538 H SER 38 H SER 38 -11.700 0.088 8.733
539 HA SER 38 HA SER 38 -12.913 -2.708 8.255
540 HA SER 38 HA SER 38 -13.595 -1.857 7.622
541 HB2 SER 38 HB2 SER 38 -13.893 -2.184 10.499
542 HB2 SER 38 HB2 SER 38 -12.369 -3.012 9.407
543 HB3 SER 38 HB3 SER 38 -12.149 -1.940 10.416
544 HB3 SER 38 HB3 SER 38 -12.775 -1.717 10.534
545 HG SER 38 HG SER 38 -12.440 0.227 10.408
546 HG SER 38 HG SER 38 -14.806 -2.405 10.628
547 H GLY 39 H GLY 39 -14.426 0.492 8.734
548 H GLY 39 H GLY 39 -15.769 -1.675 8.797
549 HA2 GLY 39 HA2 GLY 39 -16.312 1.306 7.583
550 HA2 GLY 39 HA2 GLY 39 -16.524 0.600 10.229
551 HA3 GLY 39 HA3 GLY 39 -16.614 -0.315 6.978
552 HA3 GLY 39 HA3 GLY 39 -16.701 0.981 8.523
Start of MODEL 2
1 H1 SER 5 H SER 5 -11.467 -4.748 -2.979
2 H1 SER 5 H SER 5 -11.870 -4.636 -4.650
3 HA SER 5 HA SER 5 -13.384 -4.431 -5.154
4 HA SER 5 HA SER 5 -14.203 -4.679 -5.582
5 HB2 SER 5 HB2 SER 5 -12.615 -6.545 -5.450
6 HB2 SER 5 HB2 SER 5 -12.766 -6.781 -5.198
7 HB3 SER 5 HB3 SER 5 -12.113 -6.703 -3.767
8 HB3 SER 5 HB3 SER 5 -13.763 -7.046 -3.769
9 HG SER 5 HG SER 5 -14.762 -6.930 -4.767
10 HG SER 5 HG SER 5 -14.834 -8.106 -5.326
11 H LYS 6 H LYS 6 -13.304 -5.021 -1.675
12 H LYS 6 H LYS 6 -14.180 -5.911 -2.235
13 HA LYS 6 HA LYS 6 -16.169 -4.353 -1.575
14 HA LYS 6 HA LYS 6 -16.866 -4.776 -1.884
15 HB2 LYS 6 HB2 LYS 6 -14.692 -6.474 -0.016
16 HB2 LYS 6 HB2 LYS 6 -15.501 -6.799 -0.110
17 HB3 LYS 6 HB3 LYS 6 -16.286 -5.884 0.438
18 HB3 LYS 6 HB3 LYS 6 -17.207 -6.378 -0.138
19 HG2 LYS 6 HG2 LYS 6 -17.297 -6.802 -1.451
20 HG2 LYS 6 HG2 LYS 6 -17.466 -7.389 -2.311
21 HG3 LYS 6 HG3 LYS 6 -15.760 -6.981 -2.299
22 HG3 LYS 6 HG3 LYS 6 -15.733 -7.714 -2.399
23 HD2 LYS 6 HD2 LYS 6 -15.107 -8.796 -0.926
24 HD2 LYS 6 HD2 LYS 6 -17.307 -8.778 -0.096
25 HD3 LYS 6 HD3 LYS 6 -16.405 -8.481 0.229
26 HD3 LYS 6 HD3 LYS 6 -17.408 -9.591 -1.659
27 HE2 LYS 6 HE2 LYS 6 -16.975 -10.396 -1.124
28 HE2 LYS 6 HE2 LYS 6 -15.610 -10.716 -0.908
29 HE3 LYS 6 HE3 LYS 6 -18.053 -9.057 -1.514
30 HE3 LYS 6 HE3 LYS 6 -14.734 -9.281 -1.433
31 HZ1 LYS 6 HZ1 LYS 6 -17.495 -9.683 -3.599
32 HZ1 LYS 6 HZ1 LYS 6 -15.406 -10.161 1.276
33 HZ2 LYS 6 HZ2 LYS 6 -15.995 -10.322 -3.147
34 HZ2 LYS 6 HZ2 LYS 6 -15.337 -8.497 0.982
35 HZ3 LYS 6 HZ3 LYS 6 -16.184 -8.650 -3.323
36 HZ3 LYS 6 HZ3 LYS 6 -13.980 -9.464 0.691
37 H LEU 7 H LEU 7 -15.970 -2.256 -0.935
38 H LEU 7 H LEU 7 -14.948 -2.883 -1.774
39 HA LEU 7 HA LEU 7 -14.785 -1.827 1.719
40 HA LEU 7 HA LEU 7 -13.998 -2.484 0.912
41 HB2 LEU 7 HB2 LEU 7 -14.615 0.415 -0.193
42 HB2 LEU 7 HB2 LEU 7 -13.744 -1.139 -1.688
43 HB3 LEU 7 HB3 LEU 7 -13.505 -0.071 1.086
44 HB3 LEU 7 HB3 LEU 7 -13.716 -0.066 -0.290
45 HG LEU 7 HG LEU 7 -13.735 -1.446 -1.589
46 HG LEU 7 HG LEU 7 -11.786 -1.182 0.599
47 HD11 LEU 7 HD11 LEU 7 -12.909 0.794 -1.922
48 HD11 LEU 7 HD11 LEU 7 -12.602 -3.285 -1.229
49 HD12 LEU 7 HD12 LEU 7 -11.577 -0.351 -2.082
50 HD12 LEU 7 HD12 LEU 7 -11.597 -3.368 0.217
51 HD13 LEU 7 HD13 LEU 7 -11.751 0.599 -0.606
52 HD13 LEU 7 HD13 LEU 7 -10.879 -2.924 -1.332
53 HD21 LEU 7 HD21 LEU 7 -11.255 -1.930 -0.444
54 HD21 LEU 7 HD21 LEU 7 -11.667 -0.382 -2.284
55 HD22 LEU 7 HD22 LEU 7 -12.606 -3.060 -0.552
56 HD22 LEU 7 HD22 LEU 7 -10.217 -0.925 -1.438
57 HD23 LEU 7 HD23 LEU 7 -12.392 -2.076 0.897
58 HD23 LEU 7 HD23 LEU 7 -11.099 0.489 -0.857
59 HA PRO 8 HA PRO 8 -18.562 0.182 2.711
60 HA PRO 8 HA PRO 8 -17.401 -0.307 2.632
61 HB2 PRO 8 HB2 PRO 8 -17.711 1.976 4.563
62 HB2 PRO 8 HB2 PRO 8 -16.130 1.472 4.241
63 HB3 PRO 8 HB3 PRO 8 -17.813 0.240 4.882
64 HB3 PRO 8 HB3 PRO 8 -16.219 -0.256 4.601
65 HG2 PRO 8 HG2 PRO 8 -15.427 1.894 4.155
66 HG2 PRO 8 HG2 PRO 8 -13.983 1.310 3.372
67 HG3 PRO 8 HG3 PRO 8 -15.569 0.610 5.369
68 HG3 PRO 8 HG3 PRO 8 -13.913 0.042 4.610
69 HD2 PRO 8 HD2 PRO 8 -14.469 0.193 2.930
70 HD2 PRO 8 HD2 PRO 8 -13.353 -0.434 2.003
71 HD3 PRO 8 HD3 PRO 8 -15.365 -1.067 3.801
72 HD3 PRO 8 HD3 PRO 8 -14.089 -1.656 3.059
73 HA PRO 9 HA PRO 9 -19.130 4.002 0.608
74 HA PRO 9 HA PRO 9 -18.233 3.410 0.433
75 HB2 PRO 9 HB2 PRO 9 -20.722 5.446 2.268
76 HB2 PRO 9 HB2 PRO 9 -19.847 4.732 2.171
77 HB3 PRO 9 HB3 PRO 9 -21.299 4.038 1.367
78 HB3 PRO 9 HB3 PRO 9 -20.369 3.301 1.272
79 HG2 PRO 9 HG2 PRO 9 -20.433 4.233 4.227
80 HG2 PRO 9 HG2 PRO 9 -19.409 3.515 4.100
81 HG3 PRO 9 HG3 PRO 9 -21.822 3.374 3.534
82 HG3 PRO 9 HG3 PRO 9 -20.767 2.581 3.447
83 HD2 PRO 9 HD2 PRO 9 -19.527 2.114 4.224
84 HD2 PRO 9 HD2 PRO 9 -18.374 1.458 4.034
85 HD3 PRO 9 HD3 PRO 9 -20.541 1.578 2.868
86 HD3 PRO 9 HD3 PRO 9 -19.403 0.876 2.708
87 H GLY 10 H GLY 10 -16.880 4.656 0.767
88 H GLY 10 H GLY 10 -17.403 5.426 0.135
89 HA2 GLY 10 HA2 GLY 10 -16.235 7.148 1.238
90 HA2 GLY 10 HA2 GLY 10 -16.561 7.526 0.831
91 HA3 GLY 10 HA3 GLY 10 -16.268 6.574 2.900
92 HA3 GLY 10 HA3 GLY 10 -16.270 6.853 2.427
93 H TRP 11 H TRP 11 -15.191 4.605 0.211
94 H TRP 11 H TRP 11 -14.949 4.462 1.325
95 HA TRP 11 HA TRP 11 -12.398 5.143 0.695
96 HA TRP 11 HA TRP 11 -12.320 5.657 0.988
97 HB2 TRP 11 HB2 TRP 11 -13.719 2.624 1.658
98 HB2 TRP 11 HB2 TRP 11 -13.163 2.772 1.351
99 HB3 TRP 11 HB3 TRP 11 -12.036 2.600 1.138
100 HB3 TRP 11 HB3 TRP 11 -11.496 3.336 1.279
101 HD1 TRP 11 HD1 TRP 11 -14.162 3.337 4.092
102 HD1 TRP 11 HD1 TRP 11 -14.592 3.465 3.552
103 HE1 TRP 11 HE1 TRP 11 -12.738 4.340 5.988
104 HE1 TRP 11 HE1 TRP 11 -13.824 4.048 5.939
105 HE3 TRP 11 HE3 TRP 11 -9.888 4.323 1.464
106 HE3 TRP 11 HE3 TRP 11 -9.662 4.431 2.604
107 HZ2 TRP 11 HZ2 TRP 11 -10.147 5.407 6.324
108 HZ2 TRP 11 HZ2 TRP 11 -11.444 4.815 7.247
109 HZ3 TRP 11 HZ3 TRP 11 -7.984 5.336 2.648
110 HZ3 TRP 11 HZ3 TRP 11 -8.206 5.084 4.478
111 HH2 TRP 11 HH2 TRP 11 -8.113 5.867 5.026
112 HH2 TRP 11 HH2 TRP 11 -9.082 5.273 6.751
113 H GLU 12 H GLU 12 -11.626 5.244 -1.303
114 H GLU 12 H GLU 12 -10.934 5.242 -0.743
115 HA GLU 12 HA GLU 12 -12.613 3.309 -3.293
116 HA GLU 12 HA GLU 12 -12.124 3.936 -3.091
117 HB2 GLU 12 HB2 GLU 12 -12.620 4.921 -4.892
118 HB2 GLU 12 HB2 GLU 12 -11.842 6.681 -2.854
119 HB3 GLU 12 HB3 GLU 12 -12.806 5.977 -3.499
120 HB3 GLU 12 HB3 GLU 12 -10.420 6.203 -3.772
121 HG2 GLU 12 HG2 GLU 12 -11.112 7.052 -4.550
122 HG2 GLU 12 HG2 GLU 12 -13.305 5.932 -4.487
123 HG3 GLU 12 HG3 GLU 12 -10.168 5.939 -3.562
124 HG3 GLU 12 HG3 GLU 12 -11.988 6.654 -5.409
125 H LYS 13 H LYS 13 -11.100 2.449 -4.807
126 H LYS 13 H LYS 13 -10.715 2.831 -4.404
127 HA LYS 13 HA LYS 13 -8.541 1.883 -3.612
128 HA LYS 13 HA LYS 13 -8.102 2.279 -3.246
129 HB2 LYS 13 HB2 LYS 13 -10.141 0.351 -5.061
130 HB2 LYS 13 HB2 LYS 13 -9.431 0.360 -3.864
131 HB3 LYS 13 HB3 LYS 13 -9.222 1.036 -6.394
132 HB3 LYS 13 HB3 LYS 13 -9.641 0.977 -5.498
133 HG2 LYS 13 HG2 LYS 13 -7.224 0.079 -5.667
134 HG2 LYS 13 HG2 LYS 13 -7.173 0.772 -5.811
135 HG3 LYS 13 HG3 LYS 13 -7.850 -0.214 -4.043
136 HG3 LYS 13 HG3 LYS 13 -7.099 -0.032 -4.241
137 HD2 LYS 13 HD2 LYS 13 -9.473 -1.834 -5.065
138 HD2 LYS 13 HD2 LYS 13 -9.019 -1.046 -6.285
139 HD3 LYS 13 HD3 LYS 13 -8.602 -1.643 -6.588
140 HD3 LYS 13 HD3 LYS 13 -7.303 -1.417 -6.473
141 HE2 LYS 13 HE2 LYS 13 -7.280 -2.489 -4.019
142 HE2 LYS 13 HE2 LYS 13 -8.499 -1.844 -3.794
143 HE3 LYS 13 HE3 LYS 13 -7.941 -3.632 -5.187
144 HE3 LYS 13 HE3 LYS 13 -8.975 -2.959 -5.073
145 HZ1 LYS 13 HZ1 LYS 13 -6.161 -3.408 -6.470
146 HZ1 LYS 13 HZ1 LYS 13 -6.255 -2.746 -5.309
147 HZ2 LYS 13 HZ2 LYS 13 -5.424 -2.553 -5.210
148 HZ2 LYS 13 HZ2 LYS 13 -7.104 -4.044 -4.632
149 HZ3 LYS 13 HZ3 LYS 13 -6.238 -1.719 -6.435
150 HZ3 LYS 13 HZ3 LYS 13 -6.518 -2.807 -3.637
151 H ARG 14 H ARG 14 -6.838 3.162 -3.838
152 H ARG 14 H ARG 14 -6.323 3.263 -3.920
153 HA ARG 14 HA ARG 14 -6.566 4.715 -6.328
154 HA ARG 14 HA ARG 14 -6.216 4.237 -6.697
155 HB2 ARG 14 HB2 ARG 14 -6.330 5.466 -3.532
156 HB2 ARG 14 HB2 ARG 14 -5.037 5.608 -4.273
157 HB3 ARG 14 HB3 ARG 14 -4.873 5.863 -4.434
158 HB3 ARG 14 HB3 ARG 14 -4.933 6.173 -5.935
159 HG2 ARG 14 HG2 ARG 14 -6.776 6.775 -6.126
160 HG2 ARG 14 HG2 ARG 14 -7.675 5.720 -5.113
161 HG3 ARG 14 HG3 ARG 14 -7.557 7.037 -4.566
162 HG3 ARG 14 HG3 ARG 14 -6.842 6.876 -4.070
163 HD2 ARG 14 HD2 ARG 14 -6.222 8.758 -4.092
164 HD2 ARG 14 HD2 ARG 14 -7.078 7.006 -7.075
165 HD3 ARG 14 HD3 ARG 14 -4.778 7.841 -4.519
166 HD3 ARG 14 HD3 ARG 14 -7.919 8.030 -5.911
167 HE ARG 14 HE ARG 14 -6.278 8.786 -6.786
168 HE ARG 14 HE ARG 14 -5.333 8.473 -5.312
169 HH11 ARG 14 HH11 ARG 14 -3.799 9.544 -4.462
170 HH11 ARG 14 HH11 ARG 14 -7.094 8.515 -8.315
171 HH12 ARG 14 HH12 ARG 14 -3.035 10.729 -5.469
172 HH12 ARG 14 HH12 ARG 14 -6.081 9.715 -9.044
173 HH21 ARG 14 HH21 ARG 14 -5.281 10.344 -8.121
174 HH21 ARG 14 HH21 ARG 14 -3.992 10.056 -6.261
175 HH22 ARG 14 HH22 ARG 14 -3.879 11.184 -7.550
176 HH22 ARG 14 HH22 ARG 14 -4.315 10.592 -7.874
177 H MET 15 H MET 15 -4.378 5.085 -7.093
178 H MET 15 H MET 15 -3.906 4.664 -7.403
179 HA MET 15 HA MET 15 -2.540 2.912 -6.330
180 HA MET 15 HA MET 15 -2.045 2.738 -6.190
181 HB2 MET 15 HB2 MET 15 -3.738 3.311 -8.801
182 HB2 MET 15 HB2 MET 15 -2.921 1.598 -8.101
183 HB3 MET 15 HB3 MET 15 -2.128 3.985 -9.007
184 HB3 MET 15 HB3 MET 15 -2.734 3.024 -9.113
185 HG2 MET 15 HG2 MET 15 -1.386 1.734 -7.887
186 HG2 MET 15 HG2 MET 15 -0.606 2.559 -9.575
187 HG3 MET 15 HG3 MET 15 -2.958 1.184 -8.463
188 HG3 MET 15 HG3 MET 15 -0.240 2.140 -7.902
189 HE1 MET 15 HE1 MET 15 0.895 1.735 -10.510
190 HE1 MET 15 HE1 MET 15 0.826 -0.898 -10.336
191 HE2 MET 15 HE2 MET 15 0.422 1.477 -8.830
192 HE2 MET 15 HE2 MET 15 0.751 0.809 -10.769
193 HE3 MET 15 HE3 MET 15 0.351 0.143 -9.982
194 HE3 MET 15 HE3 MET 15 1.469 0.318 -9.233
195 H SER 16 H SER 16 -0.226 3.451 -7.182
196 H SER 16 H SER 16 -0.028 3.480 -5.907
197 HA SER 16 HA SER 16 0.397 6.162 -6.232
198 HA SER 16 HA SER 16 0.588 6.187 -6.185
199 HB2 SER 16 HB2 SER 16 1.393 3.749 -5.379
200 HB2 SER 16 HB2 SER 16 1.728 4.138 -4.851
201 HB3 SER 16 HB3 SER 16 2.636 4.278 -6.512
202 HB3 SER 16 HB3 SER 16 2.864 4.285 -6.192
203 HG SER 16 HG SER 16 2.841 6.184 -5.336
204 HG SER 16 HG SER 16 2.060 6.607 -4.852
205 H ARG 17 H ARG 17 2.597 6.953 -7.178
206 H ARG 17 H ARG 17 2.591 6.981 -7.404
207 HA ARG 17 HA ARG 17 2.541 6.532 -10.096
208 HA ARG 17 HA ARG 17 2.503 5.947 -10.163
209 HB2 ARG 17 HB2 ARG 17 1.660 8.712 -9.687
210 HB2 ARG 17 HB2 ARG 17 1.450 8.091 -10.152
211 HB3 ARG 17 HB3 ARG 17 2.929 9.077 -8.525
212 HB3 ARG 17 HB3 ARG 17 2.723 8.783 -9.157
213 HG2 ARG 17 HG2 ARG 17 4.583 9.050 -10.331
214 HG2 ARG 17 HG2 ARG 17 4.308 8.497 -11.010
215 HG3 ARG 17 HG3 ARG 17 3.298 8.709 -11.491
216 HG3 ARG 17 HG3 ARG 17 2.999 7.856 -12.008
217 HD2 ARG 17 HD2 ARG 17 3.715 11.193 -9.848
218 HD2 ARG 17 HD2 ARG 17 3.312 10.635 -10.901
219 HD3 ARG 17 HD3 ARG 17 3.699 11.038 -11.605
220 HD3 ARG 17 HD3 ARG 17 3.224 10.137 -12.591
221 HE ARG 17 HE ARG 17 1.217 10.234 -10.880
222 HE ARG 17 HE ARG 17 0.842 9.339 -11.580
223 HH11 ARG 17 HH11 ARG 17 3.120 13.068 -10.199
224 HH11 ARG 17 HH11 ARG 17 2.565 12.363 -11.557
225 HH12 ARG 17 HH12 ARG 17 1.748 14.115 -10.053
226 HH12 ARG 17 HH12 ARG 17 1.129 13.333 -11.528
227 HH21 ARG 17 HH21 ARG 17 -0.599 11.602 -10.688
228 HH21 ARG 17 HH21 ARG 17 -1.056 10.603 -11.542
229 HH22 ARG 17 HH22 ARG 17 -0.368 13.279 -10.330
230 HH22 ARG 17 HH22 ARG 17 -0.929 12.329 -11.520
231 H ASN 18 H ASN 18 4.487 7.111 -7.236
232 H ASN 18 H ASN 18 4.461 6.973 -7.497
233 HA ASN 18 HA ASN 18 6.903 6.504 -8.809
234 HA ASN 18 HA ASN 18 6.917 7.097 -8.993
235 HB2 ASN 18 HB2 ASN 18 6.530 8.756 -7.400
236 HB2 ASN 18 HB2 ASN 18 6.347 8.349 -6.809
237 HB3 ASN 18 HB3 ASN 18 7.163 7.732 -6.115
238 HB3 ASN 18 HB3 ASN 18 6.721 6.831 -5.999
239 HD21 ASN 18 HD21 ASN 18 8.988 6.206 -7.391
240 HD21 ASN 18 HD21 ASN 18 8.864 5.854 -6.707
241 HD22 ASN 18 HD22 ASN 18 10.258 7.191 -8.027
242 HD22 ASN 18 HD22 ASN 18 10.195 6.953 -6.825
243 H SER 19 H SER 19 5.467 4.350 -8.120
244 H SER 19 H SER 19 5.544 4.862 -6.587
245 HA SER 19 HA SER 19 7.264 2.840 -6.549
246 HA SER 19 HA SER 19 7.538 2.860 -7.391
247 HB2 SER 19 HB2 SER 19 5.173 4.177 -5.094
248 HB2 SER 19 HB2 SER 19 6.892 1.683 -5.297
249 HB3 SER 19 HB3 SER 19 4.925 2.433 -5.013
250 HB3 SER 19 HB3 SER 19 7.496 3.313 -5.001
251 HG SER 19 HG SER 19 7.434 3.637 -4.503
252 HG SER 19 HG SER 19 5.383 4.012 -4.722
253 H GLY 20 H GLY 20 3.714 2.691 -6.853
254 H GLY 20 H GLY 20 4.131 2.833 -6.315
255 HA2 GLY 20 HA2 GLY 20 2.862 1.359 -8.802
256 HA2 GLY 20 HA2 GLY 20 2.509 2.057 -8.071
257 HA3 GLY 20 HA3 GLY 20 4.072 0.168 -8.349
258 HA3 GLY 20 HA3 GLY 20 3.639 0.738 -8.339
259 H ARG 21 H ARG 21 3.624 0.539 -5.481
260 H ARG 21 H ARG 21 2.909 1.996 -5.157
261 HA ARG 21 HA ARG 21 1.788 -1.482 -5.011
262 HA ARG 21 HA ARG 21 1.896 -0.628 -4.398
263 HB2 ARG 21 HB2 ARG 21 2.450 0.725 -3.060
264 HB2 ARG 21 HB2 ARG 21 3.188 1.620 -3.022
265 HB3 ARG 21 HB3 ARG 21 1.931 -0.912 -2.682
266 HB3 ARG 21 HB3 ARG 21 1.872 0.891 -2.111
267 HG2 ARG 21 HG2 ARG 21 4.028 -1.615 -2.660
268 HG2 ARG 21 HG2 ARG 21 3.016 -1.004 -1.720
269 HG3 ARG 21 HG3 ARG 21 4.287 -1.010 -4.297
270 HG3 ARG 21 HG3 ARG 21 3.771 -1.003 -3.315
271 HD2 ARG 21 HD2 ARG 21 5.830 -0.060 -2.570
272 HD2 ARG 21 HD2 ARG 21 5.329 -0.666 -1.361
273 HD3 ARG 21 HD3 ARG 21 4.918 1.138 -3.487
274 HD3 ARG 21 HD3 ARG 21 5.421 0.551 -2.633
275 HE ARG 21 HE ARG 21 3.949 1.808 -1.535
276 HE ARG 21 HE ARG 21 4.769 2.113 -1.108
277 HH11 ARG 21 HH11 ARG 21 5.219 -1.404 -1.100
278 HH11 ARG 21 HH11 ARG 21 3.858 -1.037 0.067
279 HH12 ARG 21 HH12 ARG 21 4.856 -1.458 0.593
280 HH12 ARG 21 HH12 ARG 21 3.306 -0.448 1.601
281 HH21 ARG 21 HH21 ARG 21 3.467 1.748 0.693
282 HH21 ARG 21 HH21 ARG 21 4.045 2.898 0.909
283 HH22 ARG 21 HH22 ARG 21 3.858 0.335 1.612
284 HH22 ARG 21 HH22 ARG 21 3.413 1.790 2.078
285 H VAL 22 H VAL 22 -0.154 -1.099 -3.417
286 H VAL 22 H VAL 22 -0.192 -1.061 -4.135
287 HA VAL 22 HA VAL 22 -1.814 1.086 -4.493
288 HA VAL 22 HA VAL 22 -2.176 0.943 -4.611
289 HB VAL 22 HB VAL 22 -3.774 -0.508 -4.156
290 HB VAL 22 HB VAL 22 -2.470 -1.929 -3.720
291 HG11 VAL 22 HG11 VAL 22 -3.263 0.013 -6.366
292 HG11 VAL 22 HG11 VAL 22 -4.813 -1.711 -4.399
293 HG12 VAL 22 HG12 VAL 22 -1.706 -0.815 -6.302
294 HG12 VAL 22 HG12 VAL 22 -4.417 -0.617 -3.074
295 HG13 VAL 22 HG13 VAL 22 -3.202 -1.749 -6.338
296 HG13 VAL 22 HG13 VAL 22 -4.560 0.005 -4.719
297 HG21 VAL 22 HG21 VAL 22 -2.362 -2.134 -2.820
298 HG21 VAL 22 HG21 VAL 22 -1.769 -0.794 -6.211
299 HG22 VAL 22 HG22 VAL 22 -3.390 -2.837 -4.069
300 HG22 VAL 22 HG22 VAL 22 -2.115 -2.482 -5.841
301 HG23 VAL 22 HG23 VAL 22 -1.661 -2.640 -4.359
302 HG23 VAL 22 HG23 VAL 22 -3.414 -1.408 -6.359
303 H TYR 23 H TYR 23 -3.734 1.559 -3.088
304 H TYR 23 H TYR 23 -3.537 1.944 -3.206
305 HA TYR 23 HA TYR 23 -3.670 0.795 -0.338
306 HA TYR 23 HA TYR 23 -3.515 1.195 -0.389
307 HB2 TYR 23 HB2 TYR 23 -3.251 3.174 0.479
308 HB2 TYR 23 HB2 TYR 23 -3.020 3.475 0.357
309 HB3 TYR 23 HB3 TYR 23 -1.845 2.281 -0.090
310 HB3 TYR 23 HB3 TYR 23 -1.690 2.828 -0.598
311 HD1 TYR 23 HD1 TYR 23 -0.823 2.838 -2.269
312 HD1 TYR 23 HD1 TYR 23 -1.138 3.762 -2.759
313 HD2 TYR 23 HD2 TYR 23 -4.020 5.137 -0.658
314 HD2 TYR 23 HD2 TYR 23 -4.427 5.268 -0.519
315 HE1 TYR 23 HE1 TYR 23 -0.300 4.655 -3.841
316 HE1 TYR 23 HE1 TYR 23 -1.233 5.728 -4.233
317 HE2 TYR 23 HE2 TYR 23 -3.506 6.962 -2.227
318 HE2 TYR 23 HE2 TYR 23 -4.532 7.239 -1.987
319 HH TYR 23 HH TYR 23 -1.397 7.741 -3.513
320 HH TYR 23 HH TYR 23 -3.394 7.472 -4.838
321 H TYR 24 H TYR 24 -5.073 2.654 0.907
322 H TYR 24 H TYR 24 -5.027 2.857 0.825
323 HA TYR 24 HA TYR 24 -7.462 3.021 -0.777
324 HA TYR 24 HA TYR 24 -7.379 3.343 -0.882
325 HB2 TYR 24 HB2 TYR 24 -7.465 2.804 2.231
326 HB2 TYR 24 HB2 TYR 24 -7.548 2.520 2.012
327 HB3 TYR 24 HB3 TYR 24 -8.831 2.659 1.130
328 HB3 TYR 24 HB3 TYR 24 -8.836 2.547 0.814
329 HD1 TYR 24 HD1 TYR 24 -5.785 0.976 2.364
330 HD1 TYR 24 HD1 TYR 24 -6.564 0.493 2.524
331 HD2 TYR 24 HD2 TYR 24 -9.361 0.580 0.093
332 HD2 TYR 24 HD2 TYR 24 -8.421 0.974 -1.274
333 HE1 TYR 24 HE1 TYR 24 -5.480 -1.464 2.319
334 HE1 TYR 24 HE1 TYR 24 -6.138 -1.877 2.022
335 HE2 TYR 24 HE2 TYR 24 -9.066 -1.861 0.043
336 HE2 TYR 24 HE2 TYR 24 -8.000 -1.395 -1.786
337 HH TYR 24 HH TYR 24 -7.900 -3.592 0.854
338 HH TYR 24 HH TYR 24 -5.909 -3.204 -0.525
339 H PHE 25 H PHE 25 -8.641 4.935 -0.606
340 H PHE 25 H PHE 25 -8.249 5.317 -0.770
341 HA PHE 25 HA PHE 25 -7.379 7.108 0.920
342 HA PHE 25 HA PHE 25 -7.461 7.062 1.467
343 HB2 PHE 25 HB2 PHE 25 -6.643 7.441 -1.337
344 HB2 PHE 25 HB2 PHE 25 -6.185 7.825 -0.395
345 HB3 PHE 25 HB3 PHE 25 -8.265 7.170 -1.965
346 HB3 PHE 25 HB3 PHE 25 -7.567 7.704 -1.478
347 HD1 PHE 25 HD1 PHE 25 -6.643 9.392 0.561
348 HD1 PHE 25 HD1 PHE 25 -6.269 9.554 1.461
349 HD2 PHE 25 HD2 PHE 25 -9.349 9.040 -2.706
350 HD2 PHE 25 HD2 PHE 25 -8.962 9.536 -1.836
351 HE1 PHE 25 HE1 PHE 25 -7.083 11.811 0.668
352 HE1 PHE 25 HE1 PHE 25 -6.799 11.919 1.884
353 HE2 PHE 25 HE2 PHE 25 -9.792 11.458 -2.604
354 HE2 PHE 25 HE2 PHE 25 -9.494 11.901 -1.418
355 HZ PHE 25 HZ PHE 25 -8.658 12.847 -0.916
356 HZ PHE 25 HZ PHE 25 -8.412 13.097 0.443
357 H ASN 26 H ASN 26 -8.756 8.228 2.139
358 H ASN 26 H ASN 26 -9.005 8.463 2.255
359 HA ASN 26 HA ASN 26 -11.618 7.722 1.820
360 HA ASN 26 HA ASN 26 -11.744 7.951 1.319
361 HB2 ASN 26 HB2 ASN 26 -10.582 7.365 4.044
362 HB2 ASN 26 HB2 ASN 26 -11.021 7.461 3.743
363 HB3 ASN 26 HB3 ASN 26 -10.144 9.071 4.093
364 HB3 ASN 26 HB3 ASN 26 -11.018 9.208 3.957
365 HD21 ASN 26 HD21 ASN 26 -12.462 6.796 4.873
366 HD21 ASN 26 HD21 ASN 26 -12.697 7.059 5.114
367 HD22 ASN 26 HD22 ASN 26 -13.761 7.868 5.259
368 HD22 ASN 26 HD22 ASN 26 -14.327 7.535 4.786
369 H HIS 27 H HIS 27 -12.628 9.100 0.510
370 H HIS 27 H HIS 27 -12.877 9.529 0.393
371 HA HIS 27 HA HIS 27 -11.740 11.869 0.323
372 HA HIS 27 HA HIS 27 -11.681 12.130 0.048
373 HB2 HIS 27 HB2 HIS 27 -13.130 12.038 -1.617
374 HB2 HIS 27 HB2 HIS 27 -13.756 12.563 -1.324
375 HB3 HIS 27 HB3 HIS 27 -12.283 10.497 -1.718
376 HB3 HIS 27 HB3 HIS 27 -12.764 11.218 -1.873
377 HD1 HIS 27 HD1 HIS 27 -14.938 11.035 -3.235
378 HD1 HIS 27 HD1 HIS 27 -16.072 11.996 -0.306
379 HD2 HIS 27 HD2 HIS 27 -14.657 9.162 0.463
380 HD2 HIS 27 HD2 HIS 27 -13.960 8.701 -1.702
381 HE1 HIS 27 HE1 HIS 27 -17.026 9.649 -3.023
382 HE1 HIS 27 HE1 HIS 27 -17.740 10.114 -0.388
383 H ILE 28 H ILE 28 -12.918 11.066 2.787
384 H ILE 28 H ILE 28 -13.945 10.691 2.171
385 HA ILE 28 HA ILE 28 -15.335 12.748 2.756
386 HA ILE 28 HA ILE 28 -15.276 13.167 2.861
387 HB ILE 28 HB ILE 28 -14.879 10.289 4.447
388 HB ILE 28 HB ILE 28 -15.432 10.429 4.129
389 HG12 ILE 28 HG12 ILE 28 -15.519 9.798 2.122
390 HG12 ILE 28 HG12 ILE 28 -17.303 11.901 2.259
391 HG13 ILE 28 HG13 ILE 28 -16.807 9.378 3.244
392 HG13 ILE 28 HG13 ILE 28 -16.337 10.485 1.862
393 HG21 ILE 28 HG21 ILE 28 -16.487 12.598 4.918
394 HG21 ILE 28 HG21 ILE 28 -17.417 11.295 5.291
395 HG22 ILE 28 HG22 ILE 28 -17.536 11.211 4.635
396 HG22 ILE 28 HG22 ILE 28 -15.950 12.156 5.753
397 HG23 ILE 28 HG23 ILE 28 -16.314 11.146 5.904
398 HG23 ILE 28 HG23 ILE 28 -17.090 12.898 4.632
399 HD11 ILE 28 HD11 ILE 28 -18.097 10.462 1.775
400 HD11 ILE 28 HD11 ILE 28 -17.614 9.206 3.554
401 HD12 ILE 28 HD12 ILE 28 -17.503 11.907 2.594
402 HD12 ILE 28 HD12 ILE 28 -18.640 10.623 3.787
403 HD13 ILE 28 HD13 ILE 28 -16.744 11.367 1.096
404 HD13 ILE 28 HD13 ILE 28 -18.599 9.813 2.221
405 H THR 29 H THR 29 -12.574 11.571 4.618
406 H THR 29 H THR 29 -12.943 10.950 4.347
407 HA THR 29 HA THR 29 -12.734 14.020 6.250
408 HA THR 29 HA THR 29 -12.572 12.779 6.589
409 HB THR 29 HB THR 29 -12.207 12.914 8.208
410 HB THR 29 HB THR 29 -10.710 10.633 6.709
411 HG1 THR 29 HG1 THR 29 -11.233 10.817 8.216
412 HG1 THR 29 HG1 THR 29 -13.380 9.767 6.197
413 HG21 THR 29 HG21 THR 29 -13.699 10.797 6.653
414 HG21 THR 29 HG21 THR 29 -12.982 11.705 8.236
415 HG22 THR 29 HG22 THR 29 -14.431 12.199 7.432
416 HG22 THR 29 HG22 THR 29 -11.389 11.187 8.785
417 HG23 THR 29 HG23 THR 29 -13.646 10.958 8.408
418 HG23 THR 29 HG23 THR 29 -12.655 9.993 8.499
419 H ASN 30 H ASN 30 -11.244 13.408 3.763
420 H ASN 30 H ASN 30 -11.106 11.943 3.595
421 HA ASN 30 HA ASN 30 -9.143 13.556 2.873
422 HA ASN 30 HA ASN 30 -9.278 12.734 2.498
423 HB2 ASN 30 HB2 ASN 30 -9.668 15.783 4.312
424 HB2 ASN 30 HB2 ASN 30 -10.217 14.912 3.550
425 HB3 ASN 30 HB3 ASN 30 -8.196 15.245 5.114
426 HB3 ASN 30 HB3 ASN 30 -8.863 14.771 4.668
427 HD21 ASN 30 HD21 ASN 30 -6.623 14.304 3.238
428 HD21 ASN 30 HD21 ASN 30 -6.719 14.324 3.511
429 HD22 ASN 30 HD22 ASN 30 -6.285 15.484 2.022
430 HD22 ASN 30 HD22 ASN 30 -6.398 15.311 2.130
431 H ALA 31 H ALA 31 -9.361 11.235 4.284
432 H ALA 31 H ALA 31 -8.580 10.554 3.572
433 HA ALA 31 HA ALA 31 -6.806 11.039 5.741
434 HA ALA 31 HA ALA 31 -5.892 10.977 4.541
435 HB1 ALA 31 HB1 ALA 31 -9.381 10.176 6.469
436 HB1 ALA 31 HB1 ALA 31 -7.639 9.218 6.227
437 HB2 ALA 31 HB2 ALA 31 -8.448 8.723 6.109
438 HB2 ALA 31 HB2 ALA 31 -6.050 9.889 6.599
439 HB3 ALA 31 HB3 ALA 31 -7.859 9.874 7.308
440 HB3 ALA 31 HB3 ALA 31 -7.466 10.940 6.567
441 H SER 32 H SER 32 -5.569 9.068 5.437
442 H SER 32 H SER 32 -4.579 9.081 4.424
443 HA SER 32 HA SER 32 -6.145 7.483 3.072
444 HA SER 32 HA SER 32 -5.786 6.870 2.896
445 HB2 SER 32 HB2 SER 32 -4.442 9.722 2.890
446 HB2 SER 32 HB2 SER 32 -3.023 7.122 2.215
447 HB3 SER 32 HB3 SER 32 -3.389 8.309 2.896
448 HB3 SER 32 HB3 SER 32 -4.430 7.292 1.165
449 HG SER 32 HG SER 32 -3.927 8.192 0.867
450 HG SER 32 HG SER 32 -3.254 9.332 2.751
451 H GLN 33 H GLN 33 -6.260 5.711 4.445
452 H GLN 33 H GLN 33 -4.971 4.807 3.276
453 HA GLN 33 HA GLN 33 -3.879 5.034 6.004
454 HA GLN 33 HA GLN 33 -2.830 4.431 5.189
455 HB2 GLN 33 HB2 GLN 33 -5.885 4.811 7.261
456 HB2 GLN 33 HB2 GLN 33 -4.107 3.240 6.823
457 HB3 GLN 33 HB3 GLN 33 -6.685 3.933 5.965
458 HB3 GLN 33 HB3 GLN 33 -4.893 4.792 6.565
459 HG2 GLN 33 HG2 GLN 33 -5.380 1.998 6.346
460 HG2 GLN 33 HG2 GLN 33 -6.516 3.693 5.076
461 HG3 GLN 33 HG3 GLN 33 -4.283 2.868 7.418
462 HG3 GLN 33 HG3 GLN 33 -5.754 2.143 5.425
463 HE21 GLN 33 HE21 GLN 33 -4.556 1.716 9.245
464 HE21 GLN 33 HE21 GLN 33 -6.530 1.011 7.060
465 HE22 GLN 33 HE22 GLN 33 -6.055 1.571 10.093
466 HE22 GLN 33 HE22 GLN 33 -7.552 1.615 8.315
467 H PHE 34 H PHE 34 -2.768 3.087 5.743
468 H PHE 34 H PHE 34 -1.844 2.462 5.003
469 HA PHE 34 HA PHE 34 -2.785 2.065 3.040
470 HA PHE 34 HA PHE 34 -2.480 0.920 2.665
471 HB2 PHE 34 HB2 PHE 34 -0.956 1.960 5.361
472 HB2 PHE 34 HB2 PHE 34 -0.432 0.277 4.790
473 HB3 PHE 34 HB3 PHE 34 -0.928 0.550 4.306
474 HB3 PHE 34 HB3 PHE 34 -0.466 -0.303 3.128
475 HD1 PHE 34 HD1 PHE 34 0.725 3.442 4.934
476 HD1 PHE 34 HD1 PHE 34 1.214 1.802 5.213
477 HD2 PHE 34 HD2 PHE 34 -1.081 1.392 1.671
478 HD2 PHE 34 HD2 PHE 34 -0.684 1.830 1.402
479 HE1 PHE 34 HE1 PHE 34 2.192 4.649 3.369
480 HE1 PHE 34 HE1 PHE 34 2.626 3.696 4.527
481 HE2 PHE 34 HE2 PHE 34 0.383 2.595 0.100
482 HE2 PHE 34 HE2 PHE 34 0.727 3.724 0.711
483 HZ PHE 34 HZ PHE 34 2.022 4.225 0.949
484 HZ PHE 34 HZ PHE 34 2.385 4.660 2.275
485 H GLU 35 H GLU 35 -3.668 0.971 6.251
486 H GLU 35 H GLU 35 -2.896 0.578 6.119
487 HA GLU 35 HA GLU 35 -4.108 -1.754 5.437
488 HA GLU 35 HA GLU 35 -3.528 -2.192 6.117
489 HB2 GLU 35 HB2 GLU 35 -3.574 -0.688 7.824
490 HB2 GLU 35 HB2 GLU 35 -4.281 -0.041 8.105
491 HB3 GLU 35 HB3 GLU 35 -5.329 -0.681 7.928
492 HB3 GLU 35 HB3 GLU 35 -4.418 -1.772 8.377
493 HG2 GLU 35 HG2 GLU 35 -5.480 -2.961 7.947
494 HG2 GLU 35 HG2 GLU 35 -1.752 -0.951 7.549
495 HG3 GLU 35 HG3 GLU 35 -3.966 -3.179 7.070
496 HG3 GLU 35 HG3 GLU 35 -2.282 -0.203 9.054
497 H ARG 36 H ARG 36 -6.037 -2.767 5.024
498 H ARG 36 H ARG 36 -5.425 -3.239 5.845
499 HA ARG 36 HA ARG 36 -8.051 -1.409 3.723
500 HA ARG 36 HA ARG 36 -7.505 -2.028 4.405
501 HB2 ARG 36 HB2 ARG 36 -7.761 -3.814 3.513
502 HB2 ARG 36 HB2 ARG 36 -7.012 -4.439 4.316
503 HB3 ARG 36 HB3 ARG 36 -8.217 -4.043 5.196
504 HB3 ARG 36 HB3 ARG 36 -7.557 -4.608 5.981
505 HG2 ARG 36 HG2 ARG 36 -10.461 -3.138 4.660
506 HG2 ARG 36 HG2 ARG 36 -9.766 -3.560 5.034
507 HG3 ARG 36 HG3 ARG 36 -9.983 -3.068 2.963
508 HG3 ARG 36 HG3 ARG 36 -9.138 -4.171 3.501
509 HD2 ARG 36 HD2 ARG 36 -11.024 -5.107 3.011
510 HD2 ARG 36 HD2 ARG 36 -8.766 -6.361 4.910
511 HD3 ARG 36 HD3 ARG 36 -9.368 -5.591 3.376
512 HD3 ARG 36 HD3 ARG 36 -10.021 -5.657 5.929
513 HE ARG 36 HE ARG 36 -10.414 -5.188 5.823
514 HE ARG 36 HE ARG 36 -10.677 -5.726 3.125
515 HH11 ARG 36 HH11 ARG 36 -11.505 -7.005 3.061
516 HH11 ARG 36 HH11 ARG 36 -10.758 -7.455 6.146
517 HH12 ARG 36 HH12 ARG 36 -12.339 -8.192 4.007
518 HH12 ARG 36 HH12 ARG 36 -12.079 -8.473 5.678
519 HH21 ARG 36 HH21 ARG 36 -11.509 -6.745 7.080
520 HH21 ARG 36 HH21 ARG 36 -12.418 -7.061 2.497
521 HH22 ARG 36 HH22 ARG 36 -12.342 -8.044 6.293
522 HH22 ARG 36 HH22 ARG 36 -13.022 -8.249 3.603
523 HA PRO 37 HA PRO 37 -10.294 0.603 6.955
524 HA PRO 37 HA PRO 37 -9.472 -0.033 7.904
525 HB2 PRO 37 HB2 PRO 37 -12.509 1.230 5.516
526 HB2 PRO 37 HB2 PRO 37 -11.316 1.294 6.417
527 HB3 PRO 37 HB3 PRO 37 -10.974 2.087 5.339
528 HB3 PRO 37 HB3 PRO 37 -9.641 1.832 6.572
529 HG2 PRO 37 HG2 PRO 37 -12.134 -0.091 3.643
530 HG2 PRO 37 HG2 PRO 37 -10.938 0.293 4.356
531 HG3 PRO 37 HG3 PRO 37 -11.309 1.397 3.143
532 HG3 PRO 37 HG3 PRO 37 -9.794 1.643 4.259
533 HD2 PRO 37 HD2 PRO 37 -10.069 -1.009 3.194
534 HD2 PRO 37 HD2 PRO 37 -9.035 -0.934 3.929
535 HD3 PRO 37 HD3 PRO 37 -9.215 0.513 3.521
536 HD3 PRO 37 HD3 PRO 37 -7.970 0.290 4.647
537 H SER 38 H SER 38 -11.799 0.055 8.460
538 H SER 38 H SER 38 -11.711 0.073 8.728
539 HA SER 38 HA SER 38 -12.904 -2.580 8.368
540 HA SER 38 HA SER 38 -13.460 -2.041 7.686
541 HB2 SER 38 HB2 SER 38 -13.871 -1.984 10.585
542 HB2 SER 38 HB2 SER 38 -12.194 -3.024 9.544
543 HB3 SER 38 HB3 SER 38 -12.139 -1.667 10.487
544 HB3 SER 38 HB3 SER 38 -12.692 -1.698 10.596
545 HG SER 38 HG SER 38 -13.626 0.030 11.392
546 HG SER 38 HG SER 38 -14.678 -2.508 10.710
547 H GLY 39 H GLY 39 -14.486 0.596 8.797
548 H GLY 39 H GLY 39 -15.665 -1.943 8.798
549 HA2 GLY 39 HA2 GLY 39 -16.372 1.369 7.619
550 HA2 GLY 39 HA2 GLY 39 -16.634 0.275 10.143
551 HA3 GLY 39 HA3 GLY 39 -16.625 -0.256 7.000
552 HA3 GLY 39 HA3 GLY 39 -16.715 0.675 8.434
Start of MODEL 3
1 H1 SER 5 H SER 5 -11.333 -6.698 -2.309
2 H1 SER 5 H SER 5 -11.788 -6.917 -3.175
3 HA SER 5 HA SER 5 -12.118 -4.997 -3.604
4 HA SER 5 HA SER 5 -12.795 -4.883 -4.581
5 HB2 SER 5 HB2 SER 5 -14.019 -6.779 -5.065
6 HB2 SER 5 HB2 SER 5 -14.363 -6.380 -5.614
7 HB3 SER 5 HB3 SER 5 -12.980 -5.494 -5.685
8 HB3 SER 5 HB3 SER 5 -12.941 -7.330 -5.180
9 HG SER 5 HG SER 5 -11.666 -7.034 -6.212
10 HG SER 5 HG SER 5 -14.103 -7.968 -3.276
11 H LYS 6 H LYS 6 -13.254 -5.289 -1.148
12 H LYS 6 H LYS 6 -14.562 -6.483 -1.945
13 HA LYS 6 HA LYS 6 -15.964 -4.291 -1.636
14 HA LYS 6 HA LYS 6 -16.736 -4.590 -2.090
15 HB2 LYS 6 HB2 LYS 6 -15.207 -6.517 0.245
16 HB2 LYS 6 HB2 LYS 6 -16.203 -6.584 0.111
17 HB3 LYS 6 HB3 LYS 6 -16.657 -5.552 0.495
18 HB3 LYS 6 HB3 LYS 6 -17.739 -5.844 -0.322
19 HG2 LYS 6 HG2 LYS 6 -17.547 -6.253 -1.632
20 HG2 LYS 6 HG2 LYS 6 -17.761 -7.065 -2.421
21 HG3 LYS 6 HG3 LYS 6 -16.054 -7.120 -2.004
22 HG3 LYS 6 HG3 LYS 6 -16.188 -7.770 -2.042
23 HD2 LYS 6 HD2 LYS 6 -17.400 -7.831 0.532
24 HD2 LYS 6 HD2 LYS 6 -18.658 -8.127 -0.348
25 HD3 LYS 6 HD3 LYS 6 -18.225 -8.301 -0.956
26 HD3 LYS 6 HD3 LYS 6 -18.127 -9.275 -1.581
27 HE2 LYS 6 HE2 LYS 6 -16.092 -9.361 -1.710
28 HE2 LYS 6 HE2 LYS 6 -15.850 -8.922 -0.120
29 HE3 LYS 6 HE3 LYS 6 -15.421 -9.024 -0.114
30 HE3 LYS 6 HE3 LYS 6 -17.095 -8.786 1.121
31 HZ1 LYS 6 HZ1 LYS 6 -17.713 -10.267 0.506
32 HZ1 LYS 6 HZ1 LYS 6 -16.118 -11.098 0.452
33 HZ2 LYS 6 HZ2 LYS 6 -16.218 -11.044 0.369
34 HZ2 LYS 6 HZ2 LYS 6 -17.260 -11.002 -0.791
35 HZ3 LYS 6 HZ3 LYS 6 -17.301 -11.060 -0.930
36 HZ3 LYS 6 HZ3 LYS 6 -17.760 -10.934 0.823
37 H LEU 7 H LEU 7 -15.979 -2.289 -0.869
38 H LEU 7 H LEU 7 -15.031 -2.808 -1.822
39 HA LEU 7 HA LEU 7 -14.756 -1.781 1.754
40 HA LEU 7 HA LEU 7 -14.057 -2.369 0.852
41 HB2 LEU 7 HB2 LEU 7 -14.690 0.387 -0.268
42 HB2 LEU 7 HB2 LEU 7 -13.807 -1.068 -1.773
43 HB3 LEU 7 HB3 LEU 7 -13.583 0.046 1.061
44 HB3 LEU 7 HB3 LEU 7 -13.752 0.022 -0.389
45 HG LEU 7 HG LEU 7 -13.688 -1.518 -1.517
46 HG LEU 7 HG LEU 7 -11.829 -1.116 0.499
47 HD11 LEU 7 HD11 LEU 7 -11.625 0.510 -0.693
48 HD11 LEU 7 HD11 LEU 7 -10.957 -2.876 -1.432
49 HD12 LEU 7 HD12 LEU 7 -12.983 0.885 -1.754
50 HD12 LEU 7 HD12 LEU 7 -12.684 -3.214 -1.320
51 HD13 LEU 7 HD13 LEU 7 -11.784 -0.313 -2.246
52 HD13 LEU 7 HD13 LEU 7 -11.674 -3.305 0.123
53 HD21 LEU 7 HD21 LEU 7 -12.566 -2.995 -0.265
54 HD21 LEU 7 HD21 LEU 7 -11.140 0.543 -0.972
55 HD22 LEU 7 HD22 LEU 7 -12.283 -1.829 1.028
56 HD22 LEU 7 HD22 LEU 7 -11.722 -0.329 -2.389
57 HD23 LEU 7 HD23 LEU 7 -11.223 -1.857 -0.382
58 HD23 LEU 7 HD23 LEU 7 -10.272 -0.880 -1.546
59 HA PRO 8 HA PRO 8 -18.560 0.149 2.800
60 HA PRO 8 HA PRO 8 -17.445 -0.146 2.539
61 HB2 PRO 8 HB2 PRO 8 -17.711 1.991 4.603
62 HB2 PRO 8 HB2 PRO 8 -16.158 1.625 4.144
63 HB3 PRO 8 HB3 PRO 8 -17.764 0.259 4.953
64 HB3 PRO 8 HB3 PRO 8 -16.273 -0.099 4.515
65 HG2 PRO 8 HG2 PRO 8 -15.437 1.958 4.145
66 HG2 PRO 8 HG2 PRO 8 -14.008 1.426 3.288
67 HG3 PRO 8 HG3 PRO 8 -15.520 0.691 5.381
68 HG3 PRO 8 HG3 PRO 8 -13.963 0.164 4.533
69 HD2 PRO 8 HD2 PRO 8 -14.465 0.262 2.925
70 HD2 PRO 8 HD2 PRO 8 -13.397 -0.335 1.933
71 HD3 PRO 8 HD3 PRO 8 -15.310 -1.007 3.836
72 HD3 PRO 8 HD3 PRO 8 -14.155 -1.539 2.992
73 HA PRO 9 HA PRO 9 -19.270 3.922 0.653
74 HA PRO 9 HA PRO 9 -18.213 3.572 0.316
75 HB2 PRO 9 HB2 PRO 9 -20.851 5.355 2.330
76 HB2 PRO 9 HB2 PRO 9 -19.808 4.930 2.043
77 HB3 PRO 9 HB3 PRO 9 -21.418 3.921 1.468
78 HB3 PRO 9 HB3 PRO 9 -20.352 3.503 1.152
79 HG2 PRO 9 HG2 PRO 9 -20.485 4.183 4.299
80 HG2 PRO 9 HG2 PRO 9 -19.395 3.721 3.980
81 HG3 PRO 9 HG3 PRO 9 -21.871 3.283 3.657
82 HG3 PRO 9 HG3 PRO 9 -20.767 2.804 3.331
83 HD2 PRO 9 HD2 PRO 9 -19.532 2.086 4.309
84 HD2 PRO 9 HD2 PRO 9 -18.394 1.646 3.929
85 HD3 PRO 9 HD3 PRO 9 -20.566 1.505 2.988
86 HD3 PRO 9 HD3 PRO 9 -19.431 1.073 2.606
87 H GLY 10 H GLY 10 -17.034 4.632 0.741
88 H GLY 10 H GLY 10 -17.390 5.599 0.021
89 HA2 GLY 10 HA2 GLY 10 -16.433 7.143 1.158
90 HA2 GLY 10 HA2 GLY 10 -16.498 7.678 0.694
91 HA3 GLY 10 HA3 GLY 10 -16.408 6.595 2.826
92 HA3 GLY 10 HA3 GLY 10 -16.232 7.018 2.300
93 H TRP 11 H TRP 11 -15.357 4.625 0.127
94 H TRP 11 H TRP 11 -14.942 4.594 1.231
95 HA TRP 11 HA TRP 11 -12.561 5.220 0.568
96 HA TRP 11 HA TRP 11 -12.289 5.739 0.909
97 HB2 TRP 11 HB2 TRP 11 -13.819 2.646 1.477
98 HB2 TRP 11 HB2 TRP 11 -13.180 2.872 1.280
99 HB3 TRP 11 HB3 TRP 11 -12.134 2.691 0.965
100 HB3 TRP 11 HB3 TRP 11 -11.504 3.413 1.232
101 HD1 TRP 11 HD1 TRP 11 -14.390 3.561 3.858
102 HD1 TRP 11 HD1 TRP 11 -14.644 3.620 3.446
103 HE1 TRP 11 HE1 TRP 11 -12.974 4.452 5.812
104 HE1 TRP 11 HE1 TRP 11 -13.909 4.191 5.845
105 HE3 TRP 11 HE3 TRP 11 -9.915 4.083 1.442
106 HE3 TRP 11 HE3 TRP 11 -9.673 4.453 2.593
107 HZ2 TRP 11 HZ2 TRP 11 -10.309 5.267 6.269
108 HZ2 TRP 11 HZ2 TRP 11 -11.536 4.903 7.197
109 HZ3 TRP 11 HZ3 TRP 11 -7.981 4.926 2.710
110 HZ3 TRP 11 HZ3 TRP 11 -8.238 5.076 4.493
111 HH2 TRP 11 HH2 TRP 11 -8.177 5.504 5.074
112 HH2 TRP 11 HH2 TRP 11 -9.152 5.295 6.745
113 H GLU 12 H GLU 12 -11.708 5.279 -1.395
114 H GLU 12 H GLU 12 -10.904 5.315 -0.810
115 HA GLU 12 HA GLU 12 -12.747 3.424 -3.436
116 HA GLU 12 HA GLU 12 -12.083 3.996 -3.156
117 HB2 GLU 12 HB2 GLU 12 -12.715 5.067 -5.006
118 HB2 GLU 12 HB2 GLU 12 -11.773 6.744 -2.934
119 HB3 GLU 12 HB3 GLU 12 -12.915 6.091 -3.593
120 HB3 GLU 12 HB3 GLU 12 -10.361 6.240 -3.853
121 HG2 GLU 12 HG2 GLU 12 -11.203 7.181 -4.599
122 HG2 GLU 12 HG2 GLU 12 -13.253 5.992 -4.555
123 HG3 GLU 12 HG3 GLU 12 -10.278 6.044 -3.618
124 HG3 GLU 12 HG3 GLU 12 -11.934 6.703 -5.485
125 H LYS 13 H LYS 13 -11.240 2.599 -4.985
126 H LYS 13 H LYS 13 -10.663 2.893 -4.470
127 HA LYS 13 HA LYS 13 -8.697 1.950 -3.795
128 HA LYS 13 HA LYS 13 -8.069 2.320 -3.279
129 HB2 LYS 13 HB2 LYS 13 -10.334 0.517 -5.336
130 HB2 LYS 13 HB2 LYS 13 -9.366 0.397 -3.893
131 HB3 LYS 13 HB3 LYS 13 -9.328 1.200 -6.609
132 HB3 LYS 13 HB3 LYS 13 -9.626 1.022 -5.517
133 HG2 LYS 13 HG2 LYS 13 -7.442 0.087 -5.904
134 HG2 LYS 13 HG2 LYS 13 -7.197 0.812 -5.940
135 HG3 LYS 13 HG3 LYS 13 -8.038 -0.098 -4.253
136 HG3 LYS 13 HG3 LYS 13 -7.021 0.067 -4.349
137 HD2 LYS 13 HD2 LYS 13 -9.859 -1.586 -5.350
138 HD2 LYS 13 HD2 LYS 13 -8.998 -1.047 -6.293
139 HD3 LYS 13 HD3 LYS 13 -8.734 -1.668 -6.707
140 HD3 LYS 13 HD3 LYS 13 -7.283 -1.424 -6.479
141 HE2 LYS 13 HE2 LYS 13 -7.967 -2.333 -3.869
142 HE2 LYS 13 HE2 LYS 13 -8.359 -1.718 -3.754
143 HE3 LYS 13 HE3 LYS 13 -8.552 -3.533 -5.023
144 HE3 LYS 13 HE3 LYS 13 -9.000 -2.846 -4.947
145 HZ1 LYS 13 HZ1 LYS 13 -6.034 -3.181 -4.762
146 HZ1 LYS 13 HZ1 LYS 13 -7.163 -4.028 -4.686
147 HZ2 LYS 13 HZ2 LYS 13 -6.269 -1.800 -5.709
148 HZ2 LYS 13 HZ2 LYS 13 -6.482 -2.863 -3.669
149 HZ3 LYS 13 HZ3 LYS 13 -6.670 -3.324 -6.321
150 HZ3 LYS 13 HZ3 LYS 13 -6.262 -2.755 -5.343
151 H ARG 14 H ARG 14 -6.992 3.239 -3.954
152 H ARG 14 H ARG 14 -6.269 3.271 -3.946
153 HA ARG 14 HA ARG 14 -6.680 4.869 -6.387
154 HA ARG 14 HA ARG 14 -6.135 4.251 -6.720
155 HB2 ARG 14 HB2 ARG 14 -6.425 5.495 -3.564
156 HB2 ARG 14 HB2 ARG 14 -4.948 5.603 -4.289
157 HB3 ARG 14 HB3 ARG 14 -4.960 5.899 -4.449
158 HB3 ARG 14 HB3 ARG 14 -4.840 6.171 -5.950
159 HG2 ARG 14 HG2 ARG 14 -6.885 6.904 -6.091
160 HG2 ARG 14 HG2 ARG 14 -7.583 5.742 -5.110
161 HG3 ARG 14 HG3 ARG 14 -7.594 7.161 -4.497
162 HG3 ARG 14 HG3 ARG 14 -6.732 6.904 -4.090
163 HD2 ARG 14 HD2 ARG 14 -6.141 8.783 -3.994
164 HD2 ARG 14 HD2 ARG 14 -6.988 7.000 -7.093
165 HD3 ARG 14 HD3 ARG 14 -4.771 7.857 -4.609
166 HD3 ARG 14 HD3 ARG 14 -7.820 8.040 -5.938
167 HE ARG 14 HE ARG 14 -6.377 8.904 -6.718
168 HE ARG 14 HE ARG 14 -5.016 8.213 -5.592
169 HH11 ARG 14 HH11 ARG 14 -3.912 9.731 -4.402
170 HH11 ARG 14 HH11 ARG 14 -7.584 9.213 -7.718
171 HH12 ARG 14 HH12 ARG 14 -3.263 11.021 -5.360
172 HH12 ARG 14 HH12 ARG 14 -6.759 10.637 -8.260
173 HH21 ARG 14 HH21 ARG 14 -5.531 10.600 -7.987
174 HH21 ARG 14 HH21 ARG 14 -3.917 10.084 -6.296
175 HH22 ARG 14 HH22 ARG 14 -4.185 11.515 -7.398
176 HH22 ARG 14 HH22 ARG 14 -4.673 11.132 -7.452
177 H MET 15 H MET 15 -4.546 5.151 -7.232
178 H MET 15 H MET 15 -3.812 4.656 -7.408
179 HA MET 15 HA MET 15 -2.749 2.914 -6.567
180 HA MET 15 HA MET 15 -1.980 2.710 -6.185
181 HB2 MET 15 HB2 MET 15 -3.924 3.301 -8.950
182 HB2 MET 15 HB2 MET 15 -2.859 1.569 -8.092
183 HB3 MET 15 HB3 MET 15 -2.491 4.295 -9.183
184 HB3 MET 15 HB3 MET 15 -2.659 2.989 -9.111
185 HG2 MET 15 HG2 MET 15 -1.707 1.804 -8.042
186 HG2 MET 15 HG2 MET 15 -0.440 2.638 -9.413
187 HG3 MET 15 HG3 MET 15 -2.745 1.501 -9.434
188 HG3 MET 15 HG3 MET 15 -0.232 1.880 -7.835
189 HE1 MET 15 HE1 MET 15 -0.033 0.348 -9.537
190 HE1 MET 15 HE1 MET 15 0.987 -0.904 -10.244
191 HE2 MET 15 HE2 MET 15 -0.906 0.418 -11.067
192 HE2 MET 15 HE2 MET 15 0.928 0.722 -10.928
193 HE3 MET 15 HE3 MET 15 0.774 0.953 -10.984
194 HE3 MET 15 HE3 MET 15 1.446 0.485 -9.258
195 H SER 16 H SER 16 -0.420 3.484 -7.488
196 H SER 16 H SER 16 0.040 3.439 -5.892
197 HA SER 16 HA SER 16 0.294 6.068 -6.276
198 HA SER 16 HA SER 16 0.689 6.133 -6.178
199 HB2 SER 16 HB2 SER 16 2.621 4.956 -6.144
200 HB2 SER 16 HB2 SER 16 1.816 4.030 -4.876
201 HB3 SER 16 HB3 SER 16 1.374 4.388 -5.036
202 HB3 SER 16 HB3 SER 16 2.970 4.254 -6.192
203 HG SER 16 HG SER 16 1.664 2.496 -5.874
204 HG SER 16 HG SER 16 2.086 6.486 -4.738
205 H ARG 17 H ARG 17 2.416 6.975 -7.176
206 H ARG 17 H ARG 17 2.704 6.900 -7.395
207 HA ARG 17 HA ARG 17 2.432 6.701 -10.111
208 HA ARG 17 HA ARG 17 2.602 5.870 -10.155
209 HB2 ARG 17 HB2 ARG 17 1.393 8.816 -9.473
210 HB2 ARG 17 HB2 ARG 17 1.580 8.025 -10.146
211 HB3 ARG 17 HB3 ARG 17 2.786 9.221 -8.479
212 HB3 ARG 17 HB3 ARG 17 2.858 8.700 -9.146
213 HG2 ARG 17 HG2 ARG 17 4.145 9.052 -10.638
214 HG2 ARG 17 HG2 ARG 17 4.444 8.390 -11.001
215 HG3 ARG 17 HG3 ARG 17 2.587 9.101 -11.465
216 HG3 ARG 17 HG3 ARG 17 3.124 7.777 -12.000
217 HD2 ARG 17 HD2 ARG 17 2.753 11.154 -9.448
218 HD2 ARG 17 HD2 ARG 17 3.493 10.545 -10.888
219 HD3 ARG 17 HD3 ARG 17 4.104 11.269 -10.573
220 HD3 ARG 17 HD3 ARG 17 3.381 10.054 -12.577
221 HE ARG 17 HE ARG 17 2.641 11.888 -12.232
222 HE ARG 17 HE ARG 17 0.992 9.302 -11.565
223 HH11 ARG 17 HH11 ARG 17 0.864 10.691 -9.488
224 HH11 ARG 17 HH11 ARG 17 2.778 12.289 -11.492
225 HH12 ARG 17 HH12 ARG 17 -0.675 11.204 -10.096
226 HH12 ARG 17 HH12 ARG 17 1.363 13.285 -11.436
227 HH21 ARG 17 HH21 ARG 17 0.620 12.567 -13.044
228 HH21 ARG 17 HH21 ARG 17 -0.878 10.604 -11.490
229 HH22 ARG 17 HH22 ARG 17 -0.813 12.270 -12.119
230 HH22 ARG 17 HH22 ARG 17 -0.717 12.326 -11.433
231 H ASN 18 H ASN 18 4.279 7.292 -7.183
232 H ASN 18 H ASN 18 4.574 6.872 -7.491
233 HA ASN 18 HA ASN 18 6.757 6.849 -8.718
234 HA ASN 18 HA ASN 18 7.030 6.961 -8.986
235 HB2 ASN 18 HB2 ASN 18 6.272 9.073 -7.345
236 HB2 ASN 18 HB2 ASN 18 6.568 8.271 -6.869
237 HB3 ASN 18 HB3 ASN 18 6.836 8.083 -6.003
238 HB3 ASN 18 HB3 ASN 18 6.727 6.754 -5.989
239 HD21 ASN 18 HD21 ASN 18 8.847 6.678 -6.841
240 HD21 ASN 18 HD21 ASN 18 8.458 8.657 -8.432
241 HD22 ASN 18 HD22 ASN 18 10.111 7.650 -7.505
242 HD22 ASN 18 HD22 ASN 18 10.033 8.388 -7.771
243 H SER 19 H SER 19 5.488 4.598 -8.126
244 H SER 19 H SER 19 5.632 4.748 -6.573
245 HA SER 19 HA SER 19 7.311 3.166 -6.536
246 HA SER 19 HA SER 19 7.598 2.719 -7.376
247 HB2 SER 19 HB2 SER 19 5.213 4.411 -5.055
248 HB2 SER 19 HB2 SER 19 6.948 1.555 -5.281
249 HB3 SER 19 HB3 SER 19 4.936 2.671 -5.040
250 HB3 SER 19 HB3 SER 19 7.552 3.185 -4.982
251 HG SER 19 HG SER 19 6.806 2.360 -4.010
252 HG SER 19 HG SER 19 5.497 3.880 -4.604
253 H GLY 20 H GLY 20 3.775 2.866 -6.887
254 H GLY 20 H GLY 20 4.184 2.759 -6.321
255 HA2 GLY 20 HA2 GLY 20 3.012 1.512 -8.857
256 HA2 GLY 20 HA2 GLY 20 2.556 1.996 -8.075
257 HA3 GLY 20 HA3 GLY 20 4.261 0.367 -8.388
258 HA3 GLY 20 HA3 GLY 20 3.668 0.661 -8.336
259 H ARG 21 H ARG 21 3.754 0.693 -5.529
260 H ARG 21 H ARG 21 2.967 1.926 -5.154
261 HA ARG 21 HA ARG 21 1.964 -1.390 -5.119
262 HA ARG 21 HA ARG 21 1.917 -0.682 -4.388
263 HB2 ARG 21 HB2 ARG 21 2.577 0.781 -3.112
264 HB2 ARG 21 HB2 ARG 21 3.232 1.555 -3.024
265 HB3 ARG 21 HB3 ARG 21 2.091 -0.876 -2.776
266 HB3 ARG 21 HB3 ARG 21 1.895 0.862 -2.113
267 HG2 ARG 21 HG2 ARG 21 4.212 -1.648 -3.810
268 HG2 ARG 21 HG2 ARG 21 2.977 -1.088 -1.741
269 HG3 ARG 21 HG3 ARG 21 4.700 0.041 -3.959
270 HG3 ARG 21 HG3 ARG 21 3.816 -1.044 -3.293
271 HD2 ARG 21 HD2 ARG 21 4.222 -1.553 -1.457
272 HD2 ARG 21 HD2 ARG 21 5.259 -0.760 -1.237
273 HD3 ARG 21 HD3 ARG 21 5.702 -0.747 -1.974
274 HD3 ARG 21 HD3 ARG 21 5.435 0.473 -2.484
275 HE ARG 21 HE ARG 21 3.978 1.305 -1.730
276 HE ARG 21 HE ARG 21 4.718 2.018 -0.971
277 HH11 ARG 21 HH11 ARG 21 4.816 -1.328 0.389
278 HH11 ARG 21 HH11 ARG 21 3.670 -1.131 0.080
279 HH12 ARG 21 HH12 ARG 21 4.514 -0.429 1.839
280 HH12 ARG 21 HH12 ARG 21 3.021 -0.556 1.582
281 HH21 ARG 21 HH21 ARG 21 3.578 2.498 0.172
282 HH21 ARG 21 HH21 ARG 21 3.868 2.785 1.002
283 HH22 ARG 21 HH22 ARG 21 3.809 1.748 1.714
284 HH22 ARG 21 HH22 ARG 21 3.135 1.672 2.104
285 H VAL 22 H VAL 22 0.040 -1.015 -3.446
286 H VAL 22 H VAL 22 -0.176 -1.093 -4.137
287 HA VAL 22 HA VAL 22 -1.655 1.166 -4.462
288 HA VAL 22 HA VAL 22 -2.142 0.923 -4.631
289 HB VAL 22 HB VAL 22 -3.595 -0.495 -4.233
290 HB VAL 22 HB VAL 22 -2.463 -1.941 -3.725
291 HG11 VAL 22 HG11 VAL 22 -3.123 0.241 -6.389
292 HG11 VAL 22 HG11 VAL 22 -4.403 -0.615 -3.092
293 HG12 VAL 22 HG12 VAL 22 -1.542 -0.543 -6.415
294 HG12 VAL 22 HG12 VAL 22 -4.531 0.008 -4.738
295 HG13 VAL 22 HG13 VAL 22 -3.010 -1.513 -6.525
296 HG13 VAL 22 HG13 VAL 22 -4.802 -1.706 -4.418
297 HG21 VAL 22 HG21 VAL 22 -3.153 -2.806 -4.351
298 HG21 VAL 22 HG21 VAL 22 -2.179 -2.531 -5.848
299 HG22 VAL 22 HG22 VAL 22 -1.437 -2.544 -4.661
300 HG22 VAL 22 HG22 VAL 22 -3.376 -1.353 -6.386
301 HG23 VAL 22 HG23 VAL 22 -2.110 -2.196 -3.068
302 HG23 VAL 22 HG23 VAL 22 -1.688 -0.874 -6.198
303 H TYR 23 H TYR 23 -3.613 1.503 -3.057
304 H TYR 23 H TYR 23 -3.488 1.955 -3.238
305 HA TYR 23 HA TYR 23 -3.623 0.552 -0.381
306 HA TYR 23 HA TYR 23 -3.492 1.219 -0.418
307 HB2 TYR 23 HB2 TYR 23 -3.099 2.737 0.711
308 HB2 TYR 23 HB2 TYR 23 -2.972 3.495 0.320
309 HB3 TYR 23 HB3 TYR 23 -1.716 1.992 -0.082
310 HB3 TYR 23 HB3 TYR 23 -1.646 2.828 -0.628
311 HD1 TYR 23 HD1 TYR 23 -0.836 2.933 -2.184
312 HD1 TYR 23 HD1 TYR 23 -1.089 3.739 -2.803
313 HD2 TYR 23 HD2 TYR 23 -3.992 4.828 -0.052
314 HD2 TYR 23 HD2 TYR 23 -4.341 5.311 -0.555
315 HE1 TYR 23 HE1 TYR 23 -0.454 4.998 -3.465
316 HE1 TYR 23 HE1 TYR 23 -1.156 5.700 -4.283
317 HE2 TYR 23 HE2 TYR 23 -3.619 6.898 -1.328
318 HE2 TYR 23 HE2 TYR 23 -4.418 7.277 -2.031
319 HH TYR 23 HH TYR 23 -2.443 7.287 -3.899
320 HH TYR 23 HH TYR 23 -3.681 8.144 -3.982
321 H TYR 24 H TYR 24 -4.994 2.375 0.974
322 H TYR 24 H TYR 24 -4.995 2.883 0.785
323 HA TYR 24 HA TYR 24 -7.357 2.868 -0.711
324 HA TYR 24 HA TYR 24 -7.331 3.397 -0.939
325 HB2 TYR 24 HB2 TYR 24 -7.373 2.644 2.294
326 HB2 TYR 24 HB2 TYR 24 -7.528 2.594 1.960
327 HB3 TYR 24 HB3 TYR 24 -8.733 2.512 1.185
328 HB3 TYR 24 HB3 TYR 24 -8.806 2.622 0.749
329 HD1 TYR 24 HD1 TYR 24 -5.834 0.779 2.611
330 HD1 TYR 24 HD1 TYR 24 -6.496 0.581 2.463
331 HD2 TYR 24 HD2 TYR 24 -9.163 0.453 -0.018
332 HD2 TYR 24 HD2 TYR 24 -8.455 1.011 -1.290
333 HE1 TYR 24 HE1 TYR 24 -5.558 -1.664 2.576
334 HE1 TYR 24 HE1 TYR 24 -6.084 -1.796 1.982
335 HE2 TYR 24 HE2 TYR 24 -8.897 -1.992 -0.058
336 HE2 TYR 24 HE2 TYR 24 -8.051 -1.365 -1.780
337 HH TYR 24 HH TYR 24 -7.776 -3.752 1.728
338 HH TYR 24 HH TYR 24 -6.936 -3.570 0.601
339 H PHE 25 H PHE 25 -8.501 4.807 -0.497
340 H PHE 25 H PHE 25 -8.275 5.348 -0.772
341 HA PHE 25 HA PHE 25 -7.190 6.931 1.053
342 HA PHE 25 HA PHE 25 -7.446 7.105 1.438
343 HB2 PHE 25 HB2 PHE 25 -6.390 7.274 -1.177
344 HB2 PHE 25 HB2 PHE 25 -6.159 7.842 -0.437
345 HB3 PHE 25 HB3 PHE 25 -7.999 7.043 -1.853
346 HB3 PHE 25 HB3 PHE 25 -7.555 7.758 -1.507
347 HD1 PHE 25 HD1 PHE 25 -5.738 9.359 -0.188
348 HD1 PHE 25 HD1 PHE 25 -5.925 9.658 1.170
349 HD2 PHE 25 HD2 PHE 25 -9.682 8.793 -1.682
350 HD2 PHE 25 HD2 PHE 25 -9.178 9.520 -1.571
351 HE1 PHE 25 HE1 PHE 25 -6.125 11.786 -0.073
352 HE1 PHE 25 HE1 PHE 25 -6.399 12.030 1.619
353 HE2 PHE 25 HE2 PHE 25 -10.076 11.219 -1.570
354 HE2 PHE 25 HE2 PHE 25 -9.658 11.892 -1.126
355 HZ PHE 25 HZ PHE 25 -8.296 12.720 -0.766
356 HZ PHE 25 HZ PHE 25 -8.266 13.151 0.469
357 H ASN 26 H ASN 26 -8.563 8.058 2.265
358 H ASN 26 H ASN 26 -8.982 8.533 2.206
359 HA ASN 26 HA ASN 26 -11.428 7.629 1.899
360 HA ASN 26 HA ASN 26 -11.720 8.035 1.259
361 HB2 ASN 26 HB2 ASN 26 -10.401 7.302 4.141
362 HB2 ASN 26 HB2 ASN 26 -11.033 7.521 3.681
363 HB3 ASN 26 HB3 ASN 26 -9.974 9.010 4.164
364 HB3 ASN 26 HB3 ASN 26 -10.984 9.267 3.910
365 HD21 ASN 26 HD21 ASN 26 -12.597 6.712 4.227
366 HD21 ASN 26 HD21 ASN 26 -12.713 7.258 5.127
367 HD22 ASN 26 HD22 ASN 26 -13.789 7.793 4.859
368 HD22 ASN 26 HD22 ASN 26 -14.331 7.741 4.766
369 H HIS 27 H HIS 27 -12.477 9.014 0.643
370 H HIS 27 H HIS 27 -12.818 9.619 0.308
371 HA HIS 27 HA HIS 27 -11.496 11.738 0.320
372 HA HIS 27 HA HIS 27 -11.605 12.216 -0.001
373 HB2 HIS 27 HB2 HIS 27 -12.973 11.900 -1.554
374 HB2 HIS 27 HB2 HIS 27 -13.646 12.669 -1.413
375 HB3 HIS 27 HB3 HIS 27 -12.201 10.319 -1.641
376 HB3 HIS 27 HB3 HIS 27 -12.661 11.308 -1.943
377 HD1 HIS 27 HD1 HIS 27 -14.910 10.937 -3.037
378 HD1 HIS 27 HD1 HIS 27 -15.966 12.109 -0.355
379 HD2 HIS 27 HD2 HIS 27 -14.511 9.162 0.699
380 HD2 HIS 27 HD2 HIS 27 -13.915 8.831 -1.872
381 HE1 HIS 27 HE1 HIS 27 -17.043 9.656 -2.670
382 HE1 HIS 27 HE1 HIS 27 -17.663 10.257 -0.485
383 H ILE 28 H ILE 28 -12.587 11.046 2.866
384 H ILE 28 H ILE 28 -13.886 10.780 2.094
385 HA ILE 28 HA ILE 28 -14.916 12.850 2.904
386 HA ILE 28 HA ILE 28 -15.240 13.250 2.763
387 HB ILE 28 HB ILE 28 -14.518 10.371 4.582
388 HB ILE 28 HB ILE 28 -15.385 10.519 4.041
389 HG12 ILE 28 HG12 ILE 28 -15.367 10.044 2.252
390 HG12 ILE 28 HG12 ILE 28 -17.242 11.966 2.141
391 HG13 ILE 28 HG13 ILE 28 -16.508 9.544 3.497
392 HG13 ILE 28 HG13 ILE 28 -16.272 10.544 1.773
393 HG21 ILE 28 HG21 ILE 28 -16.006 12.789 5.104
394 HG21 ILE 28 HG21 ILE 28 -17.380 11.370 5.188
395 HG22 ILE 28 HG22 ILE 28 -17.070 11.385 5.033
396 HG22 ILE 28 HG22 ILE 28 -15.930 12.256 5.651
397 HG23 ILE 28 HG23 ILE 28 -15.706 11.404 6.153
398 HG23 ILE 28 HG23 ILE 28 -17.074 12.971 4.516
399 HD11 ILE 28 HD11 ILE 28 -16.887 11.376 1.368
400 HD11 ILE 28 HD11 ILE 28 -17.571 9.260 3.409
401 HD12 ILE 28 HD12 ILE 28 -18.042 10.846 2.592
402 HD12 ILE 28 HD12 ILE 28 -18.564 10.685 3.716
403 HD13 ILE 28 HD13 ILE 28 -17.029 12.259 2.889
404 HD13 ILE 28 HD13 ILE 28 -18.576 9.928 2.124
405 H THR 29 H THR 29 -12.105 11.588 4.617
406 H THR 29 H THR 29 -12.932 11.041 4.306
407 HA THR 29 HA THR 29 -12.028 14.081 6.176
408 HA THR 29 HA THR 29 -12.575 12.905 6.522
409 HB THR 29 HB THR 29 -11.304 12.931 8.156
410 HB THR 29 HB THR 29 -10.776 10.943 7.029
411 HG1 THR 29 HG1 THR 29 -10.668 10.883 8.144
412 HG1 THR 29 HG1 THR 29 -12.156 8.990 6.454
413 HG21 THR 29 HG21 THR 29 -13.745 11.667 6.914
414 HG21 THR 29 HG21 THR 29 -12.200 10.313 8.713
415 HG22 THR 29 HG22 THR 29 -13.685 13.066 7.987
416 HG22 THR 29 HG22 THR 29 -13.619 10.331 7.668
417 HG23 THR 29 HG23 THR 29 -13.291 11.461 8.605
418 HG23 THR 29 HG23 THR 29 -12.937 11.848 8.255
419 H ASN 30 H ASN 30 -10.639 13.012 3.720
420 H ASN 30 H ASN 30 -11.095 12.036 3.552
421 HA ASN 30 HA ASN 30 -8.530 12.793 2.846
422 HA ASN 30 HA ASN 30 -9.246 12.797 2.468
423 HB2 ASN 30 HB2 ASN 30 -7.809 14.929 4.848
424 HB2 ASN 30 HB2 ASN 30 -10.163 14.987 3.559
425 HB3 ASN 30 HB3 ASN 30 -7.159 14.695 3.228
426 HB3 ASN 30 HB3 ASN 30 -8.772 14.826 4.627
427 HD21 ASN 30 HD21 ASN 30 -8.636 15.035 1.430
428 HD21 ASN 30 HD21 ASN 30 -6.687 14.295 3.347
429 HD22 ASN 30 HD22 ASN 30 -9.879 16.224 1.582
430 HD22 ASN 30 HD22 ASN 30 -6.400 15.304 1.972
431 H ALA 31 H ALA 31 -8.997 10.905 4.878
432 H ALA 31 H ALA 31 -8.680 10.590 3.691
433 HA ALA 31 HA ALA 31 -6.788 10.832 6.702
434 HA ALA 31 HA ALA 31 -5.969 10.990 4.678
435 HB1 ALA 31 HB1 ALA 31 -9.211 9.375 6.301
436 HB1 ALA 31 HB1 ALA 31 -7.850 9.234 6.234
437 HB2 ALA 31 HB2 ALA 31 -7.863 8.242 6.418
438 HB2 ALA 31 HB2 ALA 31 -6.216 9.741 6.668
439 HB3 ALA 31 HB3 ALA 31 -8.152 9.406 7.713
440 HB3 ALA 31 HB3 ALA 31 -7.532 10.915 6.662
441 H SER 32 H SER 32 -7.648 8.333 4.327
442 H SER 32 H SER 32 -4.710 8.990 4.695
443 HA SER 32 HA SER 32 -6.393 7.099 2.885
444 HA SER 32 HA SER 32 -5.810 6.954 2.871
445 HB2 SER 32 HB2 SER 32 -5.621 9.558 2.307
446 HB2 SER 32 HB2 SER 32 -3.801 8.676 2.209
447 HB3 SER 32 HB3 SER 32 -4.109 9.026 3.040
448 HB3 SER 32 HB3 SER 32 -2.882 7.314 2.850
449 HG SER 32 HG SER 32 -3.733 7.794 1.371
450 HG SER 32 HG SER 32 -4.337 6.028 1.394
451 H GLN 33 H GLN 33 -5.693 5.252 3.722
452 H GLN 33 H GLN 33 -5.180 4.811 3.211
453 HA GLN 33 HA GLN 33 -3.184 5.235 5.210
454 HA GLN 33 HA GLN 33 -3.475 4.179 5.476
455 HB2 GLN 33 HB2 GLN 33 -4.132 3.691 6.906
456 HB2 GLN 33 HB2 GLN 33 -5.769 4.499 6.416
457 HB3 GLN 33 HB3 GLN 33 -4.828 5.304 6.973
458 HB3 GLN 33 HB3 GLN 33 -6.330 3.190 5.384
459 HG2 GLN 33 HG2 GLN 33 -6.876 4.605 6.276
460 HG2 GLN 33 HG2 GLN 33 -5.045 1.590 6.543
461 HG3 GLN 33 HG3 GLN 33 -6.224 3.263 5.337
462 HG3 GLN 33 HG3 GLN 33 -4.112 2.833 7.375
463 HE21 GLN 33 HE21 GLN 33 -8.399 2.848 6.883
464 HE21 GLN 33 HE21 GLN 33 -6.764 0.777 7.530
465 HE22 GLN 33 HE22 GLN 33 -7.991 1.875 8.252
466 HE22 GLN 33 HE22 GLN 33 -7.501 1.417 8.955
467 H PHE 34 H PHE 34 -2.206 3.100 5.344
468 H PHE 34 H PHE 34 -2.385 2.322 5.183
469 HA PHE 34 HA PHE 34 -2.555 1.652 2.892
470 HA PHE 34 HA PHE 34 -2.749 0.915 2.690
471 HB2 PHE 34 HB2 PHE 34 -0.795 0.930 5.241
472 HB2 PHE 34 HB2 PHE 34 -0.766 0.490 4.934
473 HB3 PHE 34 HB3 PHE 34 -0.634 0.366 3.581
474 HB3 PHE 34 HB3 PHE 34 -0.724 -0.336 3.380
475 HD1 PHE 34 HD1 PHE 34 -0.464 2.389 1.821
476 HD1 PHE 34 HD1 PHE 34 -0.927 1.447 1.327
477 HD2 PHE 34 HD2 PHE 34 0.658 2.556 5.924
478 HD2 PHE 34 HD2 PHE 34 0.734 2.193 5.174
479 HE1 PHE 34 HE1 PHE 34 1.046 4.268 1.327
480 HE1 PHE 34 HE1 PHE 34 0.414 3.283 0.387
481 HE2 PHE 34 HE2 PHE 34 2.169 4.437 5.437
482 HE2 PHE 34 HE2 PHE 34 2.077 4.032 4.240
483 HZ PHE 34 HZ PHE 34 2.364 5.296 3.136
484 HZ PHE 34 HZ PHE 34 1.918 4.578 1.844
485 H GLU 35 H GLU 35 -3.473 1.223 6.226
486 H GLU 35 H GLU 35 -3.296 0.327 6.101
487 HA GLU 35 HA GLU 35 -4.127 -1.551 6.010
488 HA GLU 35 HA GLU 35 -3.844 -2.468 5.800
489 HB2 GLU 35 HB2 GLU 35 -3.712 0.072 8.113
490 HB2 GLU 35 HB2 GLU 35 -4.714 -0.703 8.086
491 HB3 GLU 35 HB3 GLU 35 -5.469 0.118 8.063
492 HB3 GLU 35 HB3 GLU 35 -4.447 -2.440 8.108
493 HG2 GLU 35 HG2 GLU 35 -5.685 -2.038 8.707
494 HG2 GLU 35 HG2 GLU 35 -2.007 -1.619 7.361
495 HG3 GLU 35 HG3 GLU 35 -4.209 -2.548 7.891
496 HG3 GLU 35 HG3 GLU 35 -2.521 -0.223 8.308
497 H ARG 36 H ARG 36 -6.091 -2.524 5.678
498 H ARG 36 H ARG 36 -5.710 -3.459 5.335
499 HA ARG 36 HA ARG 36 -7.959 -1.161 4.045
500 HA ARG 36 HA ARG 36 -7.829 -2.187 4.115
501 HB2 ARG 36 HB2 ARG 36 -7.554 -3.572 3.854
502 HB2 ARG 36 HB2 ARG 36 -7.438 -4.588 3.920
503 HB3 ARG 36 HB3 ARG 36 -8.212 -3.819 5.464
504 HB3 ARG 36 HB3 ARG 36 -7.854 -4.811 5.613
505 HG2 ARG 36 HG2 ARG 36 -10.274 -2.539 4.291
506 HG2 ARG 36 HG2 ARG 36 -10.133 -3.872 5.037
507 HG3 ARG 36 HG3 ARG 36 -9.584 -3.383 2.904
508 HG3 ARG 36 HG3 ARG 36 -9.662 -4.044 3.345
509 HD2 ARG 36 HD2 ARG 36 -9.666 -5.152 5.148
510 HD2 ARG 36 HD2 ARG 36 -9.712 -6.271 5.378
511 HD3 ARG 36 HD3 ARG 36 -11.255 -4.422 4.925
512 HD3 ARG 36 HD3 ARG 36 -10.959 -5.971 4.168
513 HE ARG 36 HE ARG 36 -11.487 -5.588 2.959
514 HE ARG 36 HE ARG 36 -8.311 -6.316 3.085
515 HH11 ARG 36 HH11 ARG 36 -8.184 -5.770 4.044
516 HH11 ARG 36 HH11 ARG 36 -11.253 -7.894 4.071
517 HH12 ARG 36 HH12 ARG 36 -7.732 -6.973 2.883
518 HH12 ARG 36 HH12 ARG 36 -10.996 -9.286 3.070
519 HH21 ARG 36 HH21 ARG 36 -10.903 -7.174 1.426
520 HH21 ARG 36 HH21 ARG 36 -7.962 -8.141 1.763
521 HH22 ARG 36 HH22 ARG 36 -9.279 -7.771 1.395
522 HH22 ARG 36 HH22 ARG 36 -9.123 -9.426 1.758
523 HA PRO 37 HA PRO 37 -10.476 0.724 7.152
524 HA PRO 37 HA PRO 37 -9.619 -0.242 7.752
525 HB2 PRO 37 HB2 PRO 37 -12.596 1.334 5.569
526 HB2 PRO 37 HB2 PRO 37 -11.365 1.296 6.353
527 HB3 PRO 37 HB3 PRO 37 -11.073 2.230 5.523
528 HB3 PRO 37 HB3 PRO 37 -9.655 1.708 6.538
529 HG2 PRO 37 HG2 PRO 37 -12.054 0.069 3.699
530 HG2 PRO 37 HG2 PRO 37 -11.050 0.399 4.234
531 HG3 PRO 37 HG3 PRO 37 -11.231 1.587 3.295
532 HG3 PRO 37 HG3 PRO 37 -9.815 1.673 4.217
533 HD2 PRO 37 HD2 PRO 37 -9.940 -0.792 3.382
534 HD2 PRO 37 HD2 PRO 37 -9.234 -0.926 3.730
535 HD3 PRO 37 HD3 PRO 37 -9.148 0.741 3.805
536 HD3 PRO 37 HD3 PRO 37 -8.089 0.176 4.520
537 H SER 38 H SER 38 -11.757 -0.169 8.639
538 H SER 38 H SER 38 -11.823 -0.067 8.615
539 HA SER 38 HA SER 38 -12.939 -2.718 8.272
540 HA SER 38 HA SER 38 -13.709 -1.993 7.443
541 HB2 SER 38 HB2 SER 38 -14.019 -2.162 10.540
542 HB2 SER 38 HB2 SER 38 -12.507 -3.124 9.268
543 HB3 SER 38 HB3 SER 38 -12.256 -2.218 10.476
544 HB3 SER 38 HB3 SER 38 -12.968 -1.832 10.376
545 HG SER 38 HG SER 38 -12.161 -0.093 10.726
546 HG SER 38 HG SER 38 -14.989 -2.555 10.412
547 H GLY 39 H GLY 39 -14.386 0.510 8.734
548 H GLY 39 H GLY 39 -15.906 -1.814 8.594
549 HA2 GLY 39 HA2 GLY 39 -16.280 1.345 7.639
550 HA2 GLY 39 HA2 GLY 39 -16.663 0.521 9.957
551 HA3 GLY 39 HA3 GLY 39 -16.611 -0.267 7.027
552 HA3 GLY 39 HA3 GLY 39 -16.888 0.794 8.234
Start of MODEL 4
1 H1 SER 5 H SER 5 -10.570 -6.212 -3.387
2 H1 SER 5 H SER 5 -11.219 -5.429 -4.393
3 HA SER 5 HA SER 5 -11.683 -4.468 -4.333
4 HA SER 5 HA SER 5 -12.791 -3.958 -5.400
5 HB2 SER 5 HB2 SER 5 -13.329 -6.305 -6.016
6 HB2 SER 5 HB2 SER 5 -14.652 -6.178 -5.623
7 HB3 SER 5 HB3 SER 5 -12.503 -4.812 -6.462
8 HB3 SER 5 HB3 SER 5 -13.645 -5.433 -6.864
9 HG SER 5 HG SER 5 -10.551 -5.928 -6.431
10 HG SER 5 HG SER 5 -11.901 -6.720 -6.069
11 H LYS 6 H LYS 6 -12.699 -4.988 -1.962
12 H LYS 6 H LYS 6 -14.354 -6.071 -3.007
13 HA LYS 6 HA LYS 6 -15.528 -4.404 -2.308
14 HA LYS 6 HA LYS 6 -16.664 -4.364 -2.806
15 HB2 LYS 6 HB2 LYS 6 -15.469 -6.843 -2.015
16 HB2 LYS 6 HB2 LYS 6 -16.775 -6.827 -2.482
17 HB3 LYS 6 HB3 LYS 6 -14.557 -6.645 -0.522
18 HB3 LYS 6 HB3 LYS 6 -15.812 -6.653 -1.020
19 HG2 LYS 6 HG2 LYS 6 -16.564 -5.244 0.269
20 HG2 LYS 6 HG2 LYS 6 -17.782 -4.933 -0.450
21 HG3 LYS 6 HG3 LYS 6 -17.426 -5.995 -1.076
22 HG3 LYS 6 HG3 LYS 6 -18.658 -6.045 -1.503
23 HD2 LYS 6 HD2 LYS 6 -16.441 -8.206 -0.055
24 HD2 LYS 6 HD2 LYS 6 -17.061 -6.824 0.936
25 HD3 LYS 6 HD3 LYS 6 -16.328 -7.229 1.410
26 HD3 LYS 6 HD3 LYS 6 -18.820 -6.702 0.855
27 HE2 LYS 6 HE2 LYS 6 -18.628 -6.939 1.544
28 HE2 LYS 6 HE2 LYS 6 -17.922 -8.349 -1.286
29 HE3 LYS 6 HE3 LYS 6 -18.873 -7.308 -0.163
30 HE3 LYS 6 HE3 LYS 6 -17.167 -8.913 0.204
31 HZ1 LYS 6 HZ1 LYS 6 -17.964 -9.314 1.824
32 HZ1 LYS 6 HZ1 LYS 6 -19.856 -8.364 0.739
33 HZ2 LYS 6 HZ2 LYS 6 -18.485 -9.597 0.241
34 HZ2 LYS 6 HZ2 LYS 6 -19.071 -9.862 0.762
35 HZ3 LYS 6 HZ3 LYS 6 -19.589 -9.083 1.416
36 HZ3 LYS 6 HZ3 LYS 6 -19.799 -9.310 -0.663
37 H LEU 7 H LEU 7 -15.443 -2.405 -1.444
38 H LEU 7 H LEU 7 -14.945 -2.551 -2.367
39 HA LEU 7 HA LEU 7 -14.560 -2.202 1.352
40 HA LEU 7 HA LEU 7 -14.026 -2.385 0.358
41 HB2 LEU 7 HB2 LEU 7 -14.219 0.222 -0.264
42 HB2 LEU 7 HB2 LEU 7 -13.870 -0.665 -2.064
43 HB3 LEU 7 HB3 LEU 7 -13.182 -0.465 0.984
44 HB3 LEU 7 HB3 LEU 7 -13.620 0.083 -0.489
45 HG LEU 7 HG LEU 7 -13.304 -1.463 -1.859
46 HG LEU 7 HG LEU 7 -11.705 -1.290 -0.068
47 HD11 LEU 7 HD11 LEU 7 -11.150 0.230 -0.617
48 HD11 LEU 7 HD11 LEU 7 -12.743 -2.842 -2.374
49 HD12 LEU 7 HD12 LEU 7 -12.456 0.892 -1.599
50 HD12 LEU 7 HD12 LEU 7 -12.033 -3.397 -0.859
51 HD13 LEU 7 HD13 LEU 7 -11.316 -0.254 -2.304
52 HD13 LEU 7 HD13 LEU 7 -10.998 -2.772 -2.141
53 HD21 LEU 7 HD21 LEU 7 -12.082 -2.432 0.575
54 HD21 LEU 7 HD21 LEU 7 -11.667 -0.196 -2.878
55 HD22 LEU 7 HD22 LEU 7 -10.878 -2.114 -0.674
56 HD22 LEU 7 HD22 LEU 7 -10.237 -0.630 -1.939
57 HD23 LEU 7 HD23 LEU 7 -12.222 -3.208 -1.003
58 HD23 LEU 7 HD23 LEU 7 -11.283 0.684 -1.398
59 HA PRO 8 HA PRO 8 -18.395 -0.221 2.148
60 HA PRO 8 HA PRO 8 -17.513 -0.438 2.188
61 HB2 PRO 8 HB2 PRO 8 -17.703 1.545 4.092
62 HB2 PRO 8 HB2 PRO 8 -16.300 1.129 4.046
63 HB3 PRO 8 HB3 PRO 8 -17.795 -0.199 4.367
64 HB3 PRO 8 HB3 PRO 8 -16.409 -0.630 4.194
65 HG2 PRO 8 HG2 PRO 8 -15.396 1.511 3.838
66 HG2 PRO 8 HG2 PRO 8 -14.123 1.055 3.245
67 HG3 PRO 8 HG3 PRO 8 -15.595 0.197 5.011
68 HG3 PRO 8 HG3 PRO 8 -14.104 -0.352 4.325
69 HD2 PRO 8 HD2 PRO 8 -14.326 -0.145 2.644
70 HD2 PRO 8 HD2 PRO 8 -13.444 -0.516 1.704
71 HD3 PRO 8 HD3 PRO 8 -15.256 -1.440 3.427
72 HD3 PRO 8 HD3 PRO 8 -14.223 -1.851 2.577
73 HA PRO 9 HA PRO 9 -18.852 3.591 0.006
74 HA PRO 9 HA PRO 9 -18.282 3.562 0.532
75 HB2 PRO 9 HB2 PRO 9 -20.758 4.879 1.449
76 HB2 PRO 9 HB2 PRO 9 -19.726 4.769 2.488
77 HB3 PRO 9 HB3 PRO 9 -21.105 3.471 0.438
78 HB3 PRO 9 HB3 PRO 9 -20.372 3.468 1.482
79 HG2 PRO 9 HG2 PRO 9 -20.680 3.620 3.396
80 HG2 PRO 9 HG2 PRO 9 -19.249 3.341 4.255
81 HG3 PRO 9 HG3 PRO 9 -21.895 2.704 2.486
82 HG3 PRO 9 HG3 PRO 9 -20.687 2.544 3.593
83 HD2 PRO 9 HD2 PRO 9 -19.650 1.560 3.475
84 HD2 PRO 9 HD2 PRO 9 -18.329 1.254 3.918
85 HD3 PRO 9 HD3 PRO 9 -20.419 1.012 1.972
86 HD3 PRO 9 HD3 PRO 9 -19.459 0.862 2.606
87 H GLY 10 H GLY 10 -17.046 4.844 0.111
88 H GLY 10 H GLY 10 -17.264 5.483 0.347
89 HA2 GLY 10 HA2 GLY 10 -16.747 7.242 1.056
90 HA2 GLY 10 HA2 GLY 10 -16.148 7.419 1.020
91 HA3 GLY 10 HA3 GLY 10 -16.547 6.373 2.570
92 HA3 GLY 10 HA3 GLY 10 -16.149 6.815 2.670
93 H TRP 11 H TRP 11 -15.151 4.131 1.318
94 H TRP 11 H TRP 11 -14.976 4.998 -0.095
95 HA TRP 11 HA TRP 11 -12.524 5.401 1.137
96 HA TRP 11 HA TRP 11 -12.206 5.569 0.609
97 HB2 TRP 11 HB2 TRP 11 -13.473 2.625 1.764
98 HB2 TRP 11 HB2 TRP 11 -13.422 2.804 0.727
99 HB3 TRP 11 HB3 TRP 11 -11.809 2.891 1.249
100 HB3 TRP 11 HB3 TRP 11 -11.689 3.109 0.692
101 HD1 TRP 11 HD1 TRP 11 -14.015 3.054 4.256
102 HD1 TRP 11 HD1 TRP 11 -14.706 3.244 2.999
103 HE1 TRP 11 HE1 TRP 11 -12.694 3.962 6.271
104 HE1 TRP 11 HE1 TRP 11 -13.902 3.683 5.405
105 HE3 TRP 11 HE3 TRP 11 -9.845 4.709 1.808
106 HE3 TRP 11 HE3 TRP 11 -9.791 4.281 2.037
107 HZ2 TRP 11 HZ2 TRP 11 -10.211 5.216 6.755
108 HZ2 TRP 11 HZ2 TRP 11 -11.503 4.376 6.719
109 HZ3 TRP 11 HZ3 TRP 11 -8.043 5.752 3.119
110 HZ3 TRP 11 HZ3 TRP 11 -8.311 4.823 3.926
111 HH2 TRP 11 HH2 TRP 11 -8.224 5.999 5.541
112 HH2 TRP 11 HH2 TRP 11 -9.151 4.869 6.218
113 H GLU 12 H GLU 12 -11.360 5.484 -0.686
114 H GLU 12 H GLU 12 -10.729 5.134 -1.041
115 HA GLU 12 HA GLU 12 -12.289 3.903 -2.991
116 HA GLU 12 HA GLU 12 -11.829 4.126 -3.567
117 HB2 GLU 12 HB2 GLU 12 -12.917 6.136 -3.470
118 HB2 GLU 12 HB2 GLU 12 -10.171 6.639 -3.292
119 HB3 GLU 12 HB3 GLU 12 -11.393 6.776 -2.869
120 HB3 GLU 12 HB3 GLU 12 -10.713 5.928 -4.804
121 HG2 GLU 12 HG2 GLU 12 -10.220 6.098 -4.761
122 HG2 GLU 12 HG2 GLU 12 -12.612 6.847 -2.669
123 HG3 GLU 12 HG3 GLU 12 -11.472 4.952 -5.241
124 HG3 GLU 12 HG3 GLU 12 -12.028 7.903 -3.956
125 H LYS 13 H LYS 13 -10.814 2.576 -3.803
126 H LYS 13 H LYS 13 -10.395 3.032 -4.873
127 HA LYS 13 HA LYS 13 -8.189 2.406 -2.781
128 HA LYS 13 HA LYS 13 -7.912 2.221 -3.574
129 HB2 LYS 13 HB2 LYS 13 -9.214 0.419 -3.611
130 HB2 LYS 13 HB2 LYS 13 -9.615 0.587 -4.554
131 HB3 LYS 13 HB3 LYS 13 -9.519 1.153 -5.180
132 HB3 LYS 13 HB3 LYS 13 -9.053 1.112 -6.135
133 HG2 LYS 13 HG2 LYS 13 -7.100 1.231 -5.597
134 HG2 LYS 13 HG2 LYS 13 -6.755 0.421 -5.474
135 HG3 LYS 13 HG3 LYS 13 -6.821 0.445 -4.042
136 HG3 LYS 13 HG3 LYS 13 -7.438 -0.249 -3.991
137 HD2 LYS 13 HD2 LYS 13 -8.688 -0.865 -5.951
138 HD2 LYS 13 HD2 LYS 13 -8.787 -1.104 -6.453
139 HD3 LYS 13 HD3 LYS 13 -6.960 -0.927 -6.311
140 HD3 LYS 13 HD3 LYS 13 -7.106 -1.628 -6.317
141 HE2 LYS 13 HE2 LYS 13 -6.495 -1.994 -4.226
142 HE2 LYS 13 HE2 LYS 13 -7.542 -2.705 -4.228
143 HE3 LYS 13 HE3 LYS 13 -8.143 -1.731 -3.659
144 HE3 LYS 13 HE3 LYS 13 -9.159 -2.008 -4.143
145 HZ1 LYS 13 HZ1 LYS 13 -7.222 -3.979 -4.873
146 HZ1 LYS 13 HZ1 LYS 13 -8.250 -4.353 -5.529
147 HZ2 LYS 13 HZ2 LYS 13 -8.028 -3.183 -6.129
148 HZ2 LYS 13 HZ2 LYS 13 -9.176 -3.330 -6.507
149 HZ3 LYS 13 HZ3 LYS 13 -8.851 -3.553 -4.698
150 HZ3 LYS 13 HZ3 LYS 13 -9.815 -3.915 -5.056
151 H ARG 14 H ARG 14 -6.224 3.012 -3.609
152 H ARG 14 H ARG 14 -6.257 3.559 -3.964
153 HA ARG 14 HA ARG 14 -6.150 4.453 -6.150
154 HA ARG 14 HA ARG 14 -5.853 4.505 -6.723
155 HB2 ARG 14 HB2 ARG 14 -5.912 5.681 -3.511
156 HB2 ARG 14 HB2 ARG 14 -4.724 5.656 -4.166
157 HB3 ARG 14 HB3 ARG 14 -4.528 6.014 -4.542
158 HB3 ARG 14 HB3 ARG 14 -4.536 6.326 -5.781
159 HG2 ARG 14 HG2 ARG 14 -6.441 6.557 -6.297
160 HG2 ARG 14 HG2 ARG 14 -7.320 5.932 -5.020
161 HG3 ARG 14 HG3 ARG 14 -7.351 6.866 -4.815
162 HG3 ARG 14 HG3 ARG 14 -6.449 7.041 -3.958
163 HD2 ARG 14 HD2 ARG 14 -6.200 8.740 -4.360
164 HD2 ARG 14 HD2 ARG 14 -6.658 7.225 -6.961
165 HD3 ARG 14 HD3 ARG 14 -4.662 8.023 -4.837
166 HD3 ARG 14 HD3 ARG 14 -7.484 8.253 -5.791
167 HE ARG 14 HE ARG 14 -6.375 8.632 -7.057
168 HE ARG 14 HE ARG 14 -4.737 8.415 -5.310
169 HH11 ARG 14 HH11 ARG 14 -3.991 9.898 -4.859
170 HH11 ARG 14 HH11 ARG 14 -7.050 9.294 -7.759
171 HH12 ARG 14 HH12 ARG 14 -3.475 11.154 -5.936
172 HH12 ARG 14 HH12 ARG 14 -6.136 10.653 -8.320
173 HH21 ARG 14 HH21 ARG 14 -5.707 10.281 -8.484
174 HH21 ARG 14 HH21 ARG 14 -3.524 10.204 -6.040
175 HH22 ARG 14 HH22 ARG 14 -4.452 11.372 -7.996
176 HH22 ARG 14 HH22 ARG 14 -4.129 11.170 -7.340
177 H MET 15 H MET 15 -3.832 5.020 -6.735
178 H MET 15 H MET 15 -3.531 4.790 -7.347
179 HA MET 15 HA MET 15 -2.074 2.818 -5.877
180 HA MET 15 HA MET 15 -1.792 2.766 -6.115
181 HB2 MET 15 HB2 MET 15 -2.922 3.582 -8.455
182 HB2 MET 15 HB2 MET 15 -2.683 1.686 -8.060
183 HB3 MET 15 HB3 MET 15 -1.229 4.047 -8.341
184 HB3 MET 15 HB3 MET 15 -2.390 3.107 -9.053
185 HG2 MET 15 HG2 MET 15 -1.553 1.431 -7.252
186 HG2 MET 15 HG2 MET 15 0.057 2.224 -7.847
187 HG3 MET 15 HG3 MET 15 -2.311 1.499 -8.839
188 HG3 MET 15 HG3 MET 15 -0.725 0.894 -8.696
189 HE1 MET 15 HE1 MET 15 -0.141 2.020 -11.337
190 HE1 MET 15 HE1 MET 15 -0.093 0.283 -10.612
191 HE2 MET 15 HE2 MET 15 0.110 0.350 -10.832
192 HE2 MET 15 HE2 MET 15 -1.113 1.165 -11.747
193 HE3 MET 15 HE3 MET 15 -1.478 1.097 -10.649
194 HE3 MET 15 HE3 MET 15 0.640 1.176 -11.944
195 H SER 16 H SER 16 0.332 3.414 -6.410
196 H SER 16 H SER 16 0.199 3.475 -5.694
197 HA SER 16 HA SER 16 0.852 5.937 -5.014
198 HA SER 16 HA SER 16 0.940 6.147 -6.038
199 HB2 SER 16 HB2 SER 16 1.806 3.669 -4.249
200 HB2 SER 16 HB2 SER 16 1.864 4.418 -4.377
201 HB3 SER 16 HB3 SER 16 2.904 3.814 -5.620
202 HB3 SER 16 HB3 SER 16 2.934 3.915 -5.684
203 HG SER 16 HG SER 16 3.809 4.677 -3.706
204 HG SER 16 HG SER 16 2.753 6.628 -4.968
205 H ARG 17 H ARG 17 1.495 4.246 -8.013
206 H ARG 17 H ARG 17 2.089 7.234 -7.550
207 HA ARG 17 HA ARG 17 2.141 5.048 -10.055
208 HA ARG 17 HA ARG 17 2.598 5.835 -10.064
209 HB2 ARG 17 HB2 ARG 17 1.195 7.328 -8.779
210 HB2 ARG 17 HB2 ARG 17 2.834 8.801 -9.599
211 HB3 ARG 17 HB3 ARG 17 2.808 7.781 -9.311
212 HB3 ARG 17 HB3 ARG 17 2.577 7.954 -11.118
213 HG2 ARG 17 HG2 ARG 17 2.192 7.003 -11.598
214 HG2 ARG 17 HG2 ARG 17 0.336 7.294 -10.353
215 HG3 ARG 17 HG3 ARG 17 0.543 6.773 -11.014
216 HG3 ARG 17 HG3 ARG 17 0.600 8.201 -8.860
217 HD2 ARG 17 HD2 ARG 17 0.742 9.236 -10.236
218 HD2 ARG 17 HD2 ARG 17 -0.719 9.425 -10.588
219 HD3 ARG 17 HD3 ARG 17 2.090 9.311 -11.367
220 HD3 ARG 17 HD3 ARG 17 0.739 10.265 -10.056
221 HE ARG 17 HE ARG 17 -0.715 9.154 -12.010
222 HE ARG 17 HE ARG 17 1.198 8.679 -12.384
223 HH11 ARG 17 HH11 ARG 17 2.539 8.647 -13.139
224 HH11 ARG 17 HH11 ARG 17 -0.083 11.716 -11.262
225 HH12 ARG 17 HH12 ARG 17 2.116 8.776 -14.816
226 HH12 ARG 17 HH12 ARG 17 0.198 12.536 -12.761
227 HH21 ARG 17 HH21 ARG 17 -1.284 9.325 -14.211
228 HH21 ARG 17 HH21 ARG 17 1.573 9.749 -14.363
229 HH22 ARG 17 HH22 ARG 17 -0.058 9.162 -15.423
230 HH22 ARG 17 HH22 ARG 17 1.140 11.417 -14.524
231 H ASN 18 H ASN 18 3.983 6.847 -7.580
232 H ASN 18 H ASN 18 4.365 5.403 -7.829
233 HA ASN 18 HA ASN 18 6.452 6.313 -9.013
234 HA ASN 18 HA ASN 18 6.854 6.385 -9.043
235 HB2 ASN 18 HB2 ASN 18 5.962 8.547 -7.989
236 HB2 ASN 18 HB2 ASN 18 6.037 6.512 -6.153
237 HB3 ASN 18 HB3 ASN 18 6.071 7.790 -6.403
238 HB3 ASN 18 HB3 ASN 18 7.740 6.411 -6.597
239 HD21 ASN 18 HD21 ASN 18 7.712 9.725 -6.565
240 HD21 ASN 18 HD21 ASN 18 7.232 8.546 -5.267
241 HD22 ASN 18 HD22 ASN 18 9.333 9.241 -6.911
242 HD22 ASN 18 HD22 ASN 18 7.082 9.953 -6.260
243 H SER 19 H SER 19 5.467 3.940 -8.253
244 H SER 19 H SER 19 5.734 4.199 -6.450
245 HA SER 19 HA SER 19 7.530 2.767 -6.793
246 HA SER 19 HA SER 19 7.686 2.214 -7.378
247 HB2 SER 19 HB2 SER 19 5.656 4.015 -5.097
248 HB2 SER 19 HB2 SER 19 7.403 1.154 -5.189
249 HB3 SER 19 HB3 SER 19 5.329 2.284 -4.991
250 HB3 SER 19 HB3 SER 19 7.805 2.859 -4.996
251 HG SER 19 HG SER 19 7.829 3.566 -4.580
252 HG SER 19 HG SER 19 6.102 2.357 -3.632
253 H GLY 20 H GLY 20 4.004 2.224 -6.685
254 H GLY 20 H GLY 20 4.323 2.361 -6.190
255 HA2 GLY 20 HA2 GLY 20 3.254 0.633 -8.553
256 HA2 GLY 20 HA2 GLY 20 2.662 1.356 -7.777
257 HA3 GLY 20 HA3 GLY 20 4.485 -0.426 -7.882
258 HA3 GLY 20 HA3 GLY 20 3.758 -0.014 -7.856
259 H ARG 21 H ARG 21 3.881 0.459 -5.123
260 H ARG 21 H ARG 21 3.079 1.738 -4.900
261 HA ARG 21 HA ARG 21 2.103 -1.555 -4.392
262 HA ARG 21 HA ARG 21 2.010 -0.722 -3.747
263 HB2 ARG 21 HB2 ARG 21 2.711 0.960 -2.831
264 HB2 ARG 21 HB2 ARG 21 3.436 1.629 -2.734
265 HB3 ARG 21 HB3 ARG 21 2.108 -0.556 -2.177
266 HB3 ARG 21 HB3 ARG 21 2.101 1.125 -1.708
267 HG2 ARG 21 HG2 ARG 21 4.164 -1.668 -2.667
268 HG2 ARG 21 HG2 ARG 21 3.090 -0.854 -1.153
269 HG3 ARG 21 HG3 ARG 21 4.767 -0.264 -3.551
270 HG3 ARG 21 HG3 ARG 21 3.995 -0.952 -2.665
271 HD2 ARG 21 HD2 ARG 21 5.612 -0.608 -1.165
272 HD2 ARG 21 HD2 ARG 21 5.429 -0.523 -0.693
273 HD3 ARG 21 HD3 ARG 21 5.027 0.998 -1.598
274 HD3 ARG 21 HD3 ARG 21 5.527 0.746 -1.914
275 HE ARG 21 HE ARG 21 3.042 -0.719 -0.403
276 HE ARG 21 HE ARG 21 3.649 1.701 -0.247
277 HH11 ARG 21 HH11 ARG 21 5.544 1.635 0.158
278 HH11 ARG 21 HH11 ARG 21 6.827 0.389 0.305
279 HH12 ARG 21 HH12 ARG 21 4.917 2.127 1.696
280 HH12 ARG 21 HH12 ARG 21 7.120 1.348 1.719
281 HH21 ARG 21 HH21 ARG 21 2.205 -0.079 1.620
282 HH21 ARG 21 HH21 ARG 21 4.024 2.966 1.614
283 HH22 ARG 21 HH22 ARG 21 3.019 1.151 2.528
284 HH22 ARG 21 HH22 ARG 21 5.523 2.814 2.462
285 H VAL 22 H VAL 22 0.166 -0.785 -2.788
286 H VAL 22 H VAL 22 -0.104 -1.032 -3.631
287 HA VAL 22 HA VAL 22 -1.502 1.176 -4.182
288 HA VAL 22 HA VAL 22 -1.974 1.073 -4.172
289 HB VAL 22 HB VAL 22 -3.454 -0.452 -3.948
290 HB VAL 22 HB VAL 22 -2.438 -1.778 -3.279
291 HG11 VAL 22 HG11 VAL 22 -2.818 0.041 -6.128
292 HG11 VAL 22 HG11 VAL 22 -4.748 -1.437 -4.025
293 HG12 VAL 22 HG12 VAL 22 -1.239 -0.725 -5.944
294 HG12 VAL 22 HG12 VAL 22 -4.330 -0.361 -2.691
295 HG13 VAL 22 HG13 VAL 22 -2.694 -1.717 -6.065
296 HG13 VAL 22 HG13 VAL 22 -4.393 0.261 -4.340
297 HG21 VAL 22 HG21 VAL 22 -3.024 -2.773 -3.810
298 HG21 VAL 22 HG21 VAL 22 -1.537 -0.774 -5.721
299 HG22 VAL 22 HG22 VAL 22 -1.283 -2.534 -3.967
300 HG22 VAL 22 HG22 VAL 22 -2.169 -2.388 -5.402
301 HG23 VAL 22 HG23 VAL 22 -2.112 -2.030 -2.495
302 HG23 VAL 22 HG23 VAL 22 -3.250 -1.115 -5.967
303 H TYR 23 H TYR 23 -3.513 1.669 -2.937
304 H TYR 23 H TYR 23 -3.382 2.087 -2.798
305 HA TYR 23 HA TYR 23 -3.631 0.962 -0.165
306 HA TYR 23 HA TYR 23 -3.369 1.382 0.032
307 HB2 TYR 23 HB2 TYR 23 -3.240 3.225 0.729
308 HB2 TYR 23 HB2 TYR 23 -2.925 3.707 0.715
309 HB3 TYR 23 HB3 TYR 23 -1.800 2.570 -0.044
310 HB3 TYR 23 HB3 TYR 23 -1.565 3.012 -0.159
311 HD1 TYR 23 HD1 TYR 23 -4.569 4.985 -0.425
312 HD1 TYR 23 HD1 TYR 23 -4.232 5.511 -0.235
313 HD2 TYR 23 HD2 TYR 23 -0.830 3.634 -1.941
314 HD2 TYR 23 HD2 TYR 23 -0.992 3.798 -2.397
315 HE1 TYR 23 HE1 TYR 23 -4.422 6.994 -1.836
316 HE1 TYR 23 HE1 TYR 23 -4.272 7.414 -1.794
317 HE2 TYR 23 HE2 TYR 23 -0.674 5.640 -3.356
318 HE2 TYR 23 HE2 TYR 23 -1.024 5.696 -3.960
319 HH TYR 23 HH TYR 23 -1.554 7.896 -3.456
320 HH TYR 23 HH TYR 23 -1.854 7.750 -4.348
321 H TYR 24 H TYR 24 -5.155 2.867 0.906
322 H TYR 24 H TYR 24 -4.884 3.093 1.202
323 HA TYR 24 HA TYR 24 -7.363 3.298 -0.993
324 HA TYR 24 HA TYR 24 -7.266 3.439 -0.500
325 HB2 TYR 24 HB2 TYR 24 -7.699 2.421 1.881
326 HB2 TYR 24 HB2 TYR 24 -7.340 2.861 2.460
327 HB3 TYR 24 HB3 TYR 24 -8.977 2.657 0.696
328 HB3 TYR 24 HB3 TYR 24 -8.674 2.807 1.312
329 HD1 TYR 24 HD1 TYR 24 -9.209 1.071 -1.200
330 HD1 TYR 24 HD1 TYR 24 -9.101 0.856 0.011
331 HD2 TYR 24 HD2 TYR 24 -6.438 0.398 1.956
332 HD2 TYR 24 HD2 TYR 24 -5.596 1.091 2.411
333 HE1 TYR 24 HE1 TYR 24 -9.027 -1.287 -1.873
334 HE1 TYR 24 HE1 TYR 24 -8.712 -1.547 -0.334
335 HE2 TYR 24 HE2 TYR 24 -6.246 -1.963 1.293
336 HE2 TYR 24 HE2 TYR 24 -5.195 -1.312 2.070
337 HH TYR 24 HH TYR 24 -7.317 -3.141 -1.639
338 HH TYR 24 HH TYR 24 -7.383 -3.274 0.073
339 H PHE 25 H PHE 25 -8.427 5.215 -0.838
340 H PHE 25 H PHE 25 -8.241 5.379 -0.484
341 HA PHE 25 HA PHE 25 -7.627 7.035 1.332
342 HA PHE 25 HA PHE 25 -7.326 7.358 1.499
343 HB2 PHE 25 HB2 PHE 25 -6.415 7.711 -0.647
344 HB2 PHE 25 HB2 PHE 25 -6.284 7.999 -0.533
345 HB3 PHE 25 HB3 PHE 25 -7.890 7.679 -1.609
346 HB3 PHE 25 HB3 PHE 25 -7.739 7.680 -1.469
347 HD1 PHE 25 HD1 PHE 25 -5.885 9.562 0.757
348 HD1 PHE 25 HD1 PHE 25 -6.688 9.794 1.423
349 HD2 PHE 25 HD2 PHE 25 -9.602 9.409 -1.310
350 HD2 PHE 25 HD2 PHE 25 -8.918 9.504 -2.189
351 HE1 PHE 25 HE1 PHE 25 -6.269 11.936 1.279
352 HE1 PHE 25 HE1 PHE 25 -7.335 12.158 1.640
353 HE2 PHE 25 HE2 PHE 25 -9.993 11.784 -0.792
354 HE2 PHE 25 HE2 PHE 25 -9.569 11.868 -1.981
355 HZ PHE 25 HZ PHE 25 -8.324 13.050 0.502
356 HZ PHE 25 HZ PHE 25 -8.777 13.198 -0.066
357 H ASN 26 H ASN 26 -9.313 7.691 2.476
358 H ASN 26 H ASN 26 -8.844 8.737 2.346
359 HA ASN 26 HA ASN 26 -12.000 7.294 1.509
360 HA ASN 26 HA ASN 26 -11.641 8.147 1.633
361 HB2 ASN 26 HB2 ASN 26 -11.181 6.926 3.910
362 HB2 ASN 26 HB2 ASN 26 -10.768 7.559 3.978
363 HB3 ASN 26 HB3 ASN 26 -11.225 8.680 4.073
364 HB3 ASN 26 HB3 ASN 26 -10.744 9.295 4.271
365 HD21 ASN 26 HD21 ASN 26 -12.800 6.383 5.252
366 HD21 ASN 26 HD21 ASN 26 -12.341 7.161 5.497
367 HD22 ASN 26 HD22 ASN 26 -14.448 6.847 5.028
368 HD22 ASN 26 HD22 ASN 26 -13.990 7.629 5.280
369 H HIS 27 H HIS 27 -13.225 8.748 0.515
370 H HIS 27 H HIS 27 -12.748 9.733 0.710
371 HA HIS 27 HA HIS 27 -12.251 11.481 0.254
372 HA HIS 27 HA HIS 27 -11.630 12.387 0.534
373 HB2 HIS 27 HB2 HIS 27 -13.804 11.709 -1.559
374 HB2 HIS 27 HB2 HIS 27 -13.667 12.836 -0.869
375 HB3 HIS 27 HB3 HIS 27 -13.011 10.146 -1.737
376 HB3 HIS 27 HB3 HIS 27 -12.654 11.517 -1.451
377 HD1 HIS 27 HD1 HIS 27 -15.676 10.585 -3.115
378 HD1 HIS 27 HD1 HIS 27 -15.965 12.173 0.211
379 HD2 HIS 27 HD2 HIS 27 -15.323 9.044 0.727
380 HD2 HIS 27 HD2 HIS 27 -13.875 9.037 -1.536
381 HE1 HIS 27 HE1 HIS 27 -17.799 9.299 -2.708
382 HE1 HIS 27 HE1 HIS 27 -17.628 10.300 -0.013
383 H ILE 28 H ILE 28 -13.288 10.671 2.805
384 H ILE 28 H ILE 28 -13.869 10.760 2.538
385 HA ILE 28 HA ILE 28 -15.693 12.366 2.957
386 HA ILE 28 HA ILE 28 -15.345 13.117 3.317
387 HB ILE 28 HB ILE 28 -14.924 9.995 4.652
388 HB ILE 28 HB ILE 28 -15.286 10.349 4.525
389 HG12 ILE 28 HG12 ILE 28 -16.099 9.650 2.437
390 HG12 ILE 28 HG12 ILE 28 -17.287 11.705 2.705
391 HG13 ILE 28 HG13 ILE 28 -16.933 8.998 3.841
392 HG13 ILE 28 HG13 ILE 28 -16.195 10.402 2.251
393 HG21 ILE 28 HG21 ILE 28 -15.872 11.083 6.358
394 HG21 ILE 28 HG21 ILE 28 -16.407 11.173 6.253
395 HG22 ILE 28 HG22 ILE 28 -16.554 12.322 5.305
396 HG22 ILE 28 HG22 ILE 28 -16.312 12.792 5.564
397 HG23 ILE 28 HG23 ILE 28 -17.398 10.790 5.523
398 HG23 ILE 28 HG23 ILE 28 -17.665 11.739 5.156
399 HD11 ILE 28 HD11 ILE 28 -18.721 10.239 3.443
400 HD11 ILE 28 HD11 ILE 28 -17.343 9.009 4.019
401 HD12 ILE 28 HD12 ILE 28 -17.754 11.707 3.298
402 HD12 ILE 28 HD12 ILE 28 -18.558 10.286 4.089
403 HD13 ILE 28 HD13 ILE 28 -17.987 10.661 1.897
404 HD13 ILE 28 HD13 ILE 28 -18.289 9.407 2.586
405 H THR 29 H THR 29 -12.673 11.441 4.534
406 H THR 29 H THR 29 -12.862 11.034 4.761
407 HA THR 29 HA THR 29 -12.666 14.050 5.890
408 HA THR 29 HA THR 29 -12.599 12.863 7.020
409 HB THR 29 HB THR 29 -11.898 13.166 7.934
410 HB THR 29 HB THR 29 -10.713 11.045 7.548
411 HG1 THR 29 HG1 THR 29 -10.442 11.616 7.321
412 HG1 THR 29 HG1 THR 29 -11.832 8.981 6.805
413 HG21 THR 29 HG21 THR 29 -13.964 11.201 6.936
414 HG21 THR 29 HG21 THR 29 -12.365 9.835 8.869
415 HG22 THR 29 HG22 THR 29 -14.314 12.824 7.536
416 HG22 THR 29 HG22 THR 29 -13.669 10.543 7.915
417 HG23 THR 29 HG23 THR 29 -13.631 11.611 8.620
418 HG23 THR 29 HG23 THR 29 -12.670 11.569 8.944
419 H ASN 30 H ASN 30 -11.361 12.919 3.441
420 H ASN 30 H ASN 30 -11.142 12.204 4.003
421 HA ASN 30 HA ASN 30 -9.305 12.781 2.444
422 HA ASN 30 HA ASN 30 -9.373 13.125 2.908
423 HB2 ASN 30 HB2 ASN 30 -9.404 15.149 2.591
424 HB2 ASN 30 HB2 ASN 30 -10.340 15.184 4.267
425 HB3 ASN 30 HB3 ASN 30 -9.028 15.133 4.311
426 HB3 ASN 30 HB3 ASN 30 -8.819 15.031 5.141
427 HD21 ASN 30 HD21 ASN 30 -7.006 15.493 4.877
428 HD21 ASN 30 HD21 ASN 30 -6.940 14.559 3.451
429 HD22 ASN 30 HD22 ASN 30 -5.630 15.388 3.838
430 HD22 ASN 30 HD22 ASN 30 -6.857 15.725 2.180
431 H ALA 31 H ALA 31 -8.748 10.713 3.298
432 H ALA 31 H ALA 31 -8.799 10.850 4.213
433 HA ALA 31 HA ALA 31 -6.458 10.842 5.122
434 HA ALA 31 HA ALA 31 -6.011 11.259 4.956
435 HB1 ALA 31 HB1 ALA 31 -8.639 10.168 6.300
436 HB1 ALA 31 HB1 ALA 31 -6.120 10.004 6.975
437 HB2 ALA 31 HB2 ALA 31 -8.474 8.644 5.426
438 HB2 ALA 31 HB2 ALA 31 -7.368 11.248 7.065
439 HB3 ALA 31 HB3 ALA 31 -7.212 9.160 6.547
440 HB3 ALA 31 HB3 ALA 31 -7.809 9.583 6.694
441 H SER 32 H SER 32 -4.798 9.534 4.567
442 H SER 32 H SER 32 -4.777 9.221 4.977
443 HA SER 32 HA SER 32 -5.244 7.688 2.312
444 HA SER 32 HA SER 32 -6.032 7.085 3.397
445 HB2 SER 32 HB2 SER 32 -3.391 9.867 2.609
446 HB2 SER 32 HB2 SER 32 -3.292 7.306 2.627
447 HB3 SER 32 HB3 SER 32 -2.499 8.356 2.436
448 HB3 SER 32 HB3 SER 32 -4.729 7.496 1.626
449 HG SER 32 HG SER 32 -2.962 9.248 0.404
450 HG SER 32 HG SER 32 -3.014 9.363 2.399
451 H GLN 33 H GLN 33 -5.603 5.888 3.630
452 H GLN 33 H GLN 33 -5.040 5.012 3.606
453 HA GLN 33 HA GLN 33 -3.346 5.045 5.315
454 HA GLN 33 HA GLN 33 -2.967 4.666 5.604
455 HB2 GLN 33 HB2 GLN 33 -5.715 5.231 6.270
456 HB2 GLN 33 HB2 GLN 33 -4.227 3.309 7.097
457 HB3 GLN 33 HB3 GLN 33 -6.093 3.810 5.307
458 HB3 GLN 33 HB3 GLN 33 -5.153 4.783 6.853
459 HG2 GLN 33 HG2 GLN 33 -4.012 2.795 6.505
460 HG2 GLN 33 HG2 GLN 33 -6.533 3.576 5.185
461 HG3 GLN 33 HG3 GLN 33 -4.317 4.070 7.683
462 HG3 GLN 33 HG3 GLN 33 -5.662 2.099 5.595
463 HE21 GLN 33 HE21 GLN 33 -4.748 2.409 9.213
464 HE21 GLN 33 HE21 GLN 33 -7.047 0.872 6.665
465 HE22 GLN 33 HE22 GLN 33 -6.277 1.608 9.231
466 HE22 GLN 33 HE22 GLN 33 -8.001 1.369 8.017
467 H PHE 34 H PHE 34 -2.154 3.326 4.770
468 H PHE 34 H PHE 34 -1.901 2.703 5.454
469 HA PHE 34 HA PHE 34 -2.563 2.076 2.226
470 HA PHE 34 HA PHE 34 -2.217 1.325 2.948
471 HB2 PHE 34 HB2 PHE 34 -0.588 1.195 4.325
472 HB2 PHE 34 HB2 PHE 34 -0.319 0.868 5.258
473 HB3 PHE 34 HB3 PHE 34 -0.472 1.013 2.580
474 HB3 PHE 34 HB3 PHE 34 -0.248 0.008 3.724
475 HD1 PHE 34 HD1 PHE 34 0.341 3.040 5.397
476 HD1 PHE 34 HD1 PHE 34 1.230 2.525 5.504
477 HD2 PHE 34 HD2 PHE 34 -0.220 3.121 1.178
478 HD2 PHE 34 HD2 PHE 34 -0.372 1.771 1.634
479 HE1 PHE 34 HE1 PHE 34 1.622 5.137 5.270
480 HE1 PHE 34 HE1 PHE 34 2.640 4.315 4.575
481 HE2 PHE 34 HE2 PHE 34 1.059 5.218 1.044
482 HE2 PHE 34 HE2 PHE 34 1.036 3.559 0.698
483 HZ PHE 34 HZ PHE 34 1.983 6.229 3.092
484 HZ PHE 34 HZ PHE 34 2.544 4.833 2.168
485 H GLU 35 H GLU 35 -3.271 1.286 5.531
486 H GLU 35 H GLU 35 -2.929 0.701 6.319
487 HA GLU 35 HA GLU 35 -3.710 -1.517 5.030
488 HA GLU 35 HA GLU 35 -3.423 -2.082 6.053
489 HB2 GLU 35 HB2 GLU 35 -3.021 -0.370 7.256
490 HB2 GLU 35 HB2 GLU 35 -4.467 -0.132 8.113
491 HB3 GLU 35 HB3 GLU 35 -4.740 -0.039 7.431
492 HB3 GLU 35 HB3 GLU 35 -4.525 -1.884 8.244
493 HG2 GLU 35 HG2 GLU 35 -5.277 -2.225 7.769
494 HG2 GLU 35 HG2 GLU 35 -1.843 -0.942 7.718
495 HG3 GLU 35 HG3 GLU 35 -3.918 -2.821 6.820
496 HG3 GLU 35 HG3 GLU 35 -2.526 -0.208 9.168
497 H ARG 36 H ARG 36 -5.562 -2.500 4.480
498 H ARG 36 H ARG 36 -5.244 -3.189 5.559
499 HA ARG 36 HA ARG 36 -7.690 -1.126 3.350
500 HA ARG 36 HA ARG 36 -7.240 -1.958 4.010
501 HB2 ARG 36 HB2 ARG 36 -7.220 -3.478 2.876
502 HB2 ARG 36 HB2 ARG 36 -6.629 -4.330 3.793
503 HB3 ARG 36 HB3 ARG 36 -7.670 -3.914 4.520
504 HB3 ARG 36 HB3 ARG 36 -7.302 -4.650 5.384
505 HG2 ARG 36 HG2 ARG 36 -9.945 -2.831 3.914
506 HG2 ARG 36 HG2 ARG 36 -9.485 -3.677 4.371
507 HG3 ARG 36 HG3 ARG 36 -9.408 -3.059 2.249
508 HG3 ARG 36 HG3 ARG 36 -8.707 -4.028 2.828
509 HD2 ARG 36 HD2 ARG 36 -10.334 -5.094 2.466
510 HD2 ARG 36 HD2 ARG 36 -8.565 -6.338 3.318
511 HD3 ARG 36 HD3 ARG 36 -8.845 -5.488 3.323
512 HD3 ARG 36 HD3 ARG 36 -8.964 -6.075 5.015
513 HE ARG 36 HE ARG 36 -10.434 -4.530 5.284
514 HE ARG 36 HE ARG 36 -11.026 -5.261 3.172
515 HH11 ARG 36 HH11 ARG 36 -10.892 -6.951 2.824
516 HH11 ARG 36 HH11 ARG 36 -9.713 -7.875 5.061
517 HH12 ARG 36 HH12 ARG 36 -11.986 -7.898 3.776
518 HH12 ARG 36 HH12 ARG 36 -11.204 -8.752 5.125
519 HH21 ARG 36 HH21 ARG 36 -11.873 -5.769 6.545
520 HH21 ARG 36 HH21 ARG 36 -12.997 -6.408 3.249
521 HH22 ARG 36 HH22 ARG 36 -12.545 -7.225 5.893
522 HH22 ARG 36 HH22 ARG 36 -13.072 -7.918 4.092
523 HA PRO 37 HA PRO 37 -9.984 0.328 6.830
524 HA PRO 37 HA PRO 37 -9.677 -0.309 7.368
525 HB2 PRO 37 HB2 PRO 37 -12.313 0.865 5.543
526 HB2 PRO 37 HB2 PRO 37 -11.558 0.841 5.786
527 HB3 PRO 37 HB3 PRO 37 -10.874 1.882 5.391
528 HB3 PRO 37 HB3 PRO 37 -9.962 1.551 6.049
529 HG2 PRO 37 HG2 PRO 37 -11.905 -0.233 3.539
530 HG2 PRO 37 HG2 PRO 37 -10.951 -0.078 3.742
531 HG3 PRO 37 HG3 PRO 37 -11.247 1.367 3.154
532 HG3 PRO 37 HG3 PRO 37 -9.955 1.388 3.730
533 HD2 PRO 37 HD2 PRO 37 -9.786 -0.902 2.927
534 HD2 PRO 37 HD2 PRO 37 -8.906 -1.088 3.420
535 HD3 PRO 37 HD3 PRO 37 -9.064 0.658 3.364
536 HD3 PRO 37 HD3 PRO 37 -8.022 0.230 4.215
537 H SER 38 H SER 38 -11.562 -0.366 8.261
538 H SER 38 H SER 38 -11.895 -0.521 8.129
539 HA SER 38 HA SER 38 -12.265 -3.126 8.121
540 HA SER 38 HA SER 38 -13.382 -2.749 6.920
541 HB2 SER 38 HB2 SER 38 -13.458 -2.679 10.260
542 HB2 SER 38 HB2 SER 38 -12.088 -3.660 8.799
543 HB3 SER 38 HB3 SER 38 -11.792 -2.103 10.273
544 HB3 SER 38 HB3 SER 38 -12.781 -2.446 9.873
545 HG SER 38 HG SER 38 -12.472 -0.094 10.361
546 HG SER 38 HG SER 38 -14.138 -4.066 10.185
547 H GLY 39 H GLY 39 -14.331 -0.221 8.386
548 H GLY 39 H GLY 39 -15.622 -2.931 7.975
549 HA2 GLY 39 HA2 GLY 39 -16.269 0.265 7.184
550 HA2 GLY 39 HA2 GLY 39 -16.765 -0.644 9.215
551 HA3 GLY 39 HA3 GLY 39 -16.159 -1.314 6.417
552 HA3 GLY 39 HA3 GLY 39 -17.070 -0.615 7.484
Start of MODEL 5
1 H1 SER 5 H SER 5 -11.497 -4.668 -2.281
2 H1 SER 5 H SER 5 -11.515 -5.198 -3.945
3 HA SER 5 HA SER 5 -12.353 -4.171 -4.895
4 HA SER 5 HA SER 5 -13.450 -4.106 -5.040
5 HB2 SER 5 HB2 SER 5 -12.201 -6.250 -5.777
6 HB2 SER 5 HB2 SER 5 -14.931 -6.154 -5.195
7 HB3 SER 5 HB3 SER 5 -12.080 -7.015 -4.191
8 HB3 SER 5 HB3 SER 5 -13.233 -6.425 -5.587
9 HG SER 5 HG SER 5 -14.156 -7.007 -5.769
10 HG SER 5 HG SER 5 -13.047 -7.683 -3.904
11 H LYS 6 H LYS 6 -13.140 -5.581 -1.767
12 H LYS 6 H LYS 6 -14.699 -6.038 -2.322
13 HA LYS 6 HA LYS 6 -15.822 -4.377 -1.936
14 HA LYS 6 HA LYS 6 -16.960 -4.291 -2.024
15 HB2 LYS 6 HB2 LYS 6 -14.753 -6.708 -0.361
16 HB2 LYS 6 HB2 LYS 6 -16.092 -6.496 -0.156
17 HB3 LYS 6 HB3 LYS 6 -16.260 -5.917 0.080
18 HB3 LYS 6 HB3 LYS 6 -17.701 -5.809 -0.323
19 HG2 LYS 6 HG2 LYS 6 -17.239 -6.474 -2.038
20 HG2 LYS 6 HG2 LYS 6 -17.830 -6.723 -2.602
21 HG3 LYS 6 HG3 LYS 6 -15.705 -7.123 -2.621
22 HG3 LYS 6 HG3 LYS 6 -16.242 -7.456 -2.378
23 HD2 LYS 6 HD2 LYS 6 -15.907 -8.667 -0.514
24 HD2 LYS 6 HD2 LYS 6 -18.454 -8.013 -0.439
25 HD3 LYS 6 HD3 LYS 6 -17.621 -8.264 -0.636
26 HD3 LYS 6 HD3 LYS 6 -18.373 -8.883 -1.973
27 HE2 LYS 6 HE2 LYS 6 -17.882 -9.377 -2.615
28 HE2 LYS 6 HE2 LYS 6 -16.142 -8.737 0.053
29 HE3 LYS 6 HE3 LYS 6 -16.208 -9.124 -3.104
30 HE3 LYS 6 HE3 LYS 6 -17.271 -10.083 -0.107
31 HZ1 LYS 6 HZ1 LYS 6 -15.477 -10.866 -1.764
32 HZ1 LYS 6 HZ1 LYS 6 -14.893 -9.786 -1.431
33 HZ2 LYS 6 HZ2 LYS 6 -16.899 -11.465 -2.458
34 HZ2 LYS 6 HZ2 LYS 6 -16.061 -9.424 -2.599
35 HZ3 LYS 6 HZ3 LYS 6 -16.906 -10.914 -0.859
36 HZ3 LYS 6 HZ3 LYS 6 -16.107 -10.906 -1.789
37 H LEU 7 H LEU 7 -15.671 -2.364 -1.132
38 H LEU 7 H LEU 7 -15.169 -2.507 -1.707
39 HA LEU 7 HA LEU 7 -14.603 -2.082 1.591
40 HA LEU 7 HA LEU 7 -14.146 -2.298 0.978
41 HB2 LEU 7 HB2 LEU 7 -14.321 0.288 -0.108
42 HB2 LEU 7 HB2 LEU 7 -13.935 -0.775 -1.531
43 HB3 LEU 7 HB3 LEU 7 -13.210 -0.402 1.074
44 HB3 LEU 7 HB3 LEU 7 -13.824 0.180 -0.055
45 HG LEU 7 HG LEU 7 -13.570 -1.462 -1.726
46 HG LEU 7 HG LEU 7 -11.898 -1.054 0.671
47 HD11 LEU 7 HD11 LEU 7 -11.709 -0.244 -2.419
48 HD11 LEU 7 HD11 LEU 7 -11.086 -2.670 -1.384
49 HD12 LEU 7 HD12 LEU 7 -11.229 0.146 -0.769
50 HD12 LEU 7 HD12 LEU 7 -12.823 -2.965 -1.330
51 HD13 LEU 7 HD13 LEU 7 -12.646 0.920 -1.483
52 HD13 LEU 7 HD13 LEU 7 -11.842 -3.216 0.113
53 HD21 LEU 7 HD21 LEU 7 -12.440 -3.198 -0.916
54 HD21 LEU 7 HD21 LEU 7 -10.471 -0.740 -1.538
55 HD22 LEU 7 HD22 LEU 7 -12.177 -2.389 0.629
56 HD22 LEU 7 HD22 LEU 7 -11.073 0.636 -0.615
57 HD23 LEU 7 HD23 LEU 7 -11.064 -2.114 -0.711
58 HD23 LEU 7 HD23 LEU 7 -11.927 0.102 -2.064
59 HA PRO 8 HA PRO 8 -18.368 -0.034 2.541
60 HA PRO 8 HA PRO 8 -17.468 -0.171 2.902
61 HB2 PRO 8 HB2 PRO 8 -17.548 1.714 4.449
62 HB2 PRO 8 HB2 PRO 8 -16.136 1.505 4.570
63 HB3 PRO 8 HB3 PRO 8 -17.672 -0.026 4.730
64 HB3 PRO 8 HB3 PRO 8 -16.237 -0.238 4.840
65 HG2 PRO 8 HG2 PRO 8 -15.255 1.623 4.093
66 HG2 PRO 8 HG2 PRO 8 -14.014 1.368 3.637
67 HG3 PRO 8 HG3 PRO 8 -15.437 0.316 5.276
68 HG3 PRO 8 HG3 PRO 8 -13.927 0.034 4.804
69 HD2 PRO 8 HD2 PRO 8 -14.281 -0.062 2.857
70 HD2 PRO 8 HD2 PRO 8 -13.439 -0.305 2.162
71 HD3 PRO 8 HD3 PRO 8 -15.209 -1.332 3.681
72 HD3 PRO 8 HD3 PRO 8 -14.163 -1.575 3.171
73 HA PRO 9 HA PRO 9 -18.828 3.793 0.424
74 HA PRO 9 HA PRO 9 -18.336 3.712 1.033
75 HB2 PRO 9 HB2 PRO 9 -20.610 5.141 1.964
76 HB2 PRO 9 HB2 PRO 9 -19.660 5.049 2.988
77 HB3 PRO 9 HB3 PRO 9 -21.058 3.743 0.979
78 HB3 PRO 9 HB3 PRO 9 -20.364 3.685 2.109
79 HG2 PRO 9 HG2 PRO 9 -20.465 3.884 3.910
80 HG2 PRO 9 HG2 PRO 9 -19.077 3.736 4.812
81 HG3 PRO 9 HG3 PRO 9 -21.756 3.006 3.071
82 HG3 PRO 9 HG3 PRO 9 -20.554 2.904 4.292
83 HD2 PRO 9 HD2 PRO 9 -19.496 1.794 3.938
84 HD2 PRO 9 HD2 PRO 9 -18.180 1.629 4.558
85 HD3 PRO 9 HD3 PRO 9 -20.363 1.266 2.483
86 HD3 PRO 9 HD3 PRO 9 -19.385 1.158 3.343
87 H GLY 10 H GLY 10 -17.213 5.228 0.311
88 H GLY 10 H GLY 10 -17.250 5.551 0.632
89 HA2 GLY 10 HA2 GLY 10 -16.715 7.526 1.259
90 HA2 GLY 10 HA2 GLY 10 -16.097 7.526 1.090
91 HA3 GLY 10 HA3 GLY 10 -16.454 6.670 2.772
92 HA3 GLY 10 HA3 GLY 10 -16.053 7.077 2.789
93 H TRP 11 H TRP 11 -15.202 4.383 1.360
94 H TRP 11 H TRP 11 -14.991 5.003 0.162
95 HA TRP 11 HA TRP 11 -12.542 5.573 1.119
96 HA TRP 11 HA TRP 11 -12.193 5.582 0.747
97 HB2 TRP 11 HB2 TRP 11 -13.562 2.807 1.672
98 HB2 TRP 11 HB2 TRP 11 -13.462 2.864 1.115
99 HB3 TRP 11 HB3 TRP 11 -11.917 3.033 1.084
100 HB3 TRP 11 HB3 TRP 11 -11.724 3.116 0.988
101 HD1 TRP 11 HD1 TRP 11 -13.956 3.129 4.204
102 HD1 TRP 11 HD1 TRP 11 -14.654 3.606 3.379
103 HE1 TRP 11 HE1 TRP 11 -12.504 3.904 6.183
104 HE1 TRP 11 HE1 TRP 11 -13.732 4.169 5.715
105 HE3 TRP 11 HE3 TRP 11 -9.869 4.774 1.615
106 HE3 TRP 11 HE3 TRP 11 -9.719 4.205 2.184
107 HZ2 TRP 11 HZ2 TRP 11 -9.962 5.061 6.592
108 HZ2 TRP 11 HZ2 TRP 11 -11.245 4.786 6.896
109 HZ3 TRP 11 HZ3 TRP 11 -7.968 5.701 2.873
110 HZ3 TRP 11 HZ3 TRP 11 -8.133 4.783 3.975
111 HH2 TRP 11 HH2 TRP 11 -8.018 5.842 5.311
112 HH2 TRP 11 HH2 TRP 11 -8.883 5.066 6.280
113 H GLU 12 H GLU 12 -11.270 5.407 -0.684
114 H GLU 12 H GLU 12 -10.831 5.220 -0.955
115 HA GLU 12 HA GLU 12 -12.504 4.184 -3.064
116 HA GLU 12 HA GLU 12 -11.947 3.906 -3.336
117 HB2 GLU 12 HB2 GLU 12 -12.719 6.506 -3.422
118 HB2 GLU 12 HB2 GLU 12 -10.531 6.575 -3.266
119 HB3 GLU 12 HB3 GLU 12 -11.117 6.838 -2.779
120 HB3 GLU 12 HB3 GLU 12 -10.886 5.681 -4.737
121 HG2 GLU 12 HG2 GLU 12 -11.121 7.105 -5.171
122 HG2 GLU 12 HG2 GLU 12 -13.005 6.557 -2.797
123 HG3 GLU 12 HG3 GLU 12 -10.118 5.727 -4.721
124 HG3 GLU 12 HG3 GLU 12 -12.478 7.536 -4.166
125 H LYS 13 H LYS 13 -11.111 3.232 -4.569
126 H LYS 13 H LYS 13 -10.536 2.688 -4.499
127 HA LYS 13 HA LYS 13 -8.608 2.301 -3.432
128 HA LYS 13 HA LYS 13 -7.950 2.181 -3.278
129 HB2 LYS 13 HB2 LYS 13 -10.433 0.937 -4.758
130 HB2 LYS 13 HB2 LYS 13 -9.339 0.271 -3.883
131 HB3 LYS 13 HB3 LYS 13 -9.547 1.520 -6.161
132 HB3 LYS 13 HB3 LYS 13 -9.387 0.808 -5.557
133 HG2 LYS 13 HG2 LYS 13 -7.480 0.543 -5.192
134 HG2 LYS 13 HG2 LYS 13 -6.860 0.567 -5.550
135 HG3 LYS 13 HG3 LYS 13 -8.465 -0.149 -3.900
136 HG3 LYS 13 HG3 LYS 13 -7.057 -0.298 -4.024
137 HD2 LYS 13 HD2 LYS 13 -9.857 -1.148 -5.856
138 HD2 LYS 13 HD2 LYS 13 -8.771 -1.156 -6.280
139 HD3 LYS 13 HD3 LYS 13 -8.411 -0.826 -6.815
140 HD3 LYS 13 HD3 LYS 13 -7.049 -1.526 -6.400
141 HE2 LYS 13 HE2 LYS 13 -8.387 -2.390 -4.240
142 HE2 LYS 13 HE2 LYS 13 -8.523 -2.137 -3.875
143 HE3 LYS 13 HE3 LYS 13 -8.571 -3.137 -5.827
144 HE3 LYS 13 HE3 LYS 13 -8.688 -3.213 -5.261
145 HZ1 LYS 13 HZ1 LYS 13 -6.406 -2.940 -6.233
146 HZ1 LYS 13 HZ1 LYS 13 -6.887 -4.158 -4.318
147 HZ2 LYS 13 HZ2 LYS 13 -6.215 -2.615 -4.584
148 HZ2 LYS 13 HZ2 LYS 13 -6.388 -2.741 -3.541
149 HZ3 LYS 13 HZ3 LYS 13 -6.342 -1.340 -5.688
150 HZ3 LYS 13 HZ3 LYS 13 -6.058 -2.964 -5.185
151 H ARG 14 H ARG 14 -6.706 3.191 -3.863
152 H ARG 14 H ARG 14 -6.210 3.262 -3.905
153 HA ARG 14 HA ARG 14 -6.334 4.579 -6.428
154 HA ARG 14 HA ARG 14 -6.008 4.086 -6.727
155 HB2 ARG 14 HB2 ARG 14 -5.985 5.639 -3.679
156 HB2 ARG 14 HB2 ARG 14 -4.840 5.536 -4.345
157 HB3 ARG 14 HB3 ARG 14 -4.744 6.065 -4.850
158 HB3 ARG 14 HB3 ARG 14 -4.778 6.056 -6.023
159 HG2 ARG 14 HG2 ARG 14 -6.967 6.598 -6.282
160 HG2 ARG 14 HG2 ARG 14 -7.495 5.594 -5.143
161 HG3 ARG 14 HG3 ARG 14 -7.540 6.943 -4.649
162 HG3 ARG 14 HG3 ARG 14 -6.661 6.778 -4.135
163 HD2 ARG 14 HD2 ARG 14 -6.260 8.779 -4.456
164 HD2 ARG 14 HD2 ARG 14 -6.935 6.851 -7.138
165 HD3 ARG 14 HD3 ARG 14 -4.881 8.018 -5.252
166 HD3 ARG 14 HD3 ARG 14 -7.783 7.881 -5.985
167 HE ARG 14 HE ARG 14 -6.967 8.623 -7.096
168 HE ARG 14 HE ARG 14 -5.013 8.152 -5.604
169 HH11 ARG 14 HH11 ARG 14 -4.327 10.020 -5.307
170 HH11 ARG 14 HH11 ARG 14 -7.502 8.947 -7.903
171 HH12 ARG 14 HH12 ARG 14 -4.073 11.308 -6.437
172 HH12 ARG 14 HH12 ARG 14 -6.683 10.353 -8.501
173 HH21 ARG 14 HH21 ARG 14 -6.640 10.313 -8.593
174 HH21 ARG 14 HH21 ARG 14 -3.925 9.999 -6.382
175 HH22 ARG 14 HH22 ARG 14 -5.390 11.475 -8.305
176 HH22 ARG 14 HH22 ARG 14 -4.647 10.950 -7.636
177 H MET 15 H MET 15 -4.059 4.827 -7.046
178 H MET 15 H MET 15 -3.694 4.461 -7.413
179 HA MET 15 HA MET 15 -2.372 2.702 -5.898
180 HA MET 15 HA MET 15 -1.851 2.605 -6.074
181 HB2 MET 15 HB2 MET 15 -3.395 2.668 -8.410
182 HB2 MET 15 HB2 MET 15 -2.696 1.349 -7.922
183 HB3 MET 15 HB3 MET 15 -1.874 3.502 -8.698
184 HB3 MET 15 HB3 MET 15 -2.518 2.716 -9.013
185 HG2 MET 15 HG2 MET 15 -1.248 1.322 -7.060
186 HG2 MET 15 HG2 MET 15 -0.262 2.426 -9.238
187 HG3 MET 15 HG3 MET 15 -2.373 0.712 -8.270
188 HG3 MET 15 HG3 MET 15 -0.095 1.652 -7.663
189 HE1 MET 15 HE1 MET 15 -1.909 -0.125 -10.099
190 HE1 MET 15 HE1 MET 15 -1.450 -0.202 -11.598
191 HE2 MET 15 HE2 MET 15 -1.373 1.002 -11.345
192 HE2 MET 15 HE2 MET 15 -1.460 1.497 -11.132
193 HE3 MET 15 HE3 MET 15 -0.326 -0.327 -10.846
194 HE3 MET 15 HE3 MET 15 0.064 0.694 -11.507
195 H SER 16 H SER 16 -0.008 3.158 -7.075
196 H SER 16 H SER 16 0.164 3.362 -5.816
197 HA SER 16 HA SER 16 0.688 5.865 -6.147
198 HA SER 16 HA SER 16 0.787 6.047 -6.233
199 HB2 SER 16 HB2 SER 16 1.710 3.387 -5.363
200 HB2 SER 16 HB2 SER 16 1.922 4.065 -4.793
201 HB3 SER 16 HB3 SER 16 2.946 4.057 -6.427
202 HB3 SER 16 HB3 SER 16 3.063 4.146 -6.136
203 HG SER 16 HG SER 16 2.919 4.627 -4.050
204 HG SER 16 HG SER 16 2.246 6.521 -4.890
205 H ARG 17 H ARG 17 2.796 6.675 -7.190
206 H ARG 17 H ARG 17 2.811 6.763 -7.475
207 HA ARG 17 HA ARG 17 2.689 6.137 -10.086
208 HA ARG 17 HA ARG 17 2.717 5.607 -10.185
209 HB2 ARG 17 HB2 ARG 17 3.443 8.775 -8.828
210 HB2 ARG 17 HB2 ARG 17 3.364 8.485 -9.570
211 HB3 ARG 17 HB3 ARG 17 3.122 8.445 -10.527
212 HB3 ARG 17 HB3 ARG 17 2.955 7.772 -11.125
213 HG2 ARG 17 HG2 ARG 17 0.775 7.998 -9.989
214 HG2 ARG 17 HG2 ARG 17 0.674 7.430 -10.414
215 HG3 ARG 17 HG3 ARG 17 1.104 8.359 -8.293
216 HG3 ARG 17 HG3 ARG 17 1.062 8.013 -8.795
217 HD2 ARG 17 HD2 ARG 17 0.094 10.249 -9.568
218 HD2 ARG 17 HD2 ARG 17 -0.069 9.671 -10.323
219 HD3 ARG 17 HD3 ARG 17 1.639 10.629 -8.806
220 HD3 ARG 17 HD3 ARG 17 1.434 10.214 -9.578
221 HE ARG 17 HE ARG 17 1.957 9.759 -11.505
222 HE ARG 17 HE ARG 17 1.812 9.051 -12.171
223 HH11 ARG 17 HH11 ARG 17 1.122 12.493 -9.517
224 HH11 ARG 17 HH11 ARG 17 0.999 11.964 -10.447
225 HH12 ARG 17 HH12 ARG 17 1.610 13.663 -10.697
226 HH12 ARG 17 HH12 ARG 17 1.510 13.018 -11.722
227 HH21 ARG 17 HH21 ARG 17 2.601 11.291 -13.065
228 HH21 ARG 17 HH21 ARG 17 2.490 10.429 -13.859
229 HH22 ARG 17 HH22 ARG 17 2.450 12.980 -12.715
230 HH22 ARG 17 HH22 ARG 17 2.358 12.144 -13.664
231 H ASN 18 H ASN 18 4.697 6.828 -7.296
232 H ASN 18 H ASN 18 4.683 6.726 -7.562
233 HA ASN 18 HA ASN 18 7.080 6.188 -8.908
234 HA ASN 18 HA ASN 18 7.144 6.758 -9.052
235 HB2 ASN 18 HB2 ASN 18 8.387 7.456 -7.238
236 HB2 ASN 18 HB2 ASN 18 6.674 6.766 -6.062
237 HB3 ASN 18 HB3 ASN 18 7.171 8.460 -8.024
238 HB3 ASN 18 HB3 ASN 18 8.208 7.096 -6.859
239 HD21 ASN 18 HD21 ASN 18 8.016 9.544 -5.865
240 HD21 ASN 18 HD21 ASN 18 7.927 8.835 -8.662
241 HD22 ASN 18 HD22 ASN 18 6.948 9.334 -4.524
242 HD22 ASN 18 HD22 ASN 18 7.092 10.261 -8.155
243 H SER 19 H SER 19 5.664 4.058 -8.076
244 H SER 19 H SER 19 5.750 4.636 -6.552
245 HA SER 19 HA SER 19 7.525 2.637 -6.485
246 HA SER 19 HA SER 19 7.718 2.581 -7.280
247 HB2 SER 19 HB2 SER 19 5.470 4.017 -5.042
248 HB2 SER 19 HB2 SER 19 7.071 1.497 -5.145
249 HB3 SER 19 HB3 SER 19 5.191 2.281 -4.907
250 HB3 SER 19 HB3 SER 19 7.668 3.138 -4.907
251 HG SER 19 HG SER 19 6.683 3.359 -3.339
252 HG SER 19 HG SER 19 5.696 3.803 -4.381
253 H GLY 20 H GLY 20 3.974 2.409 -6.697
254 H GLY 20 H GLY 20 4.300 2.666 -6.241
255 HA2 GLY 20 HA2 GLY 20 3.153 0.976 -8.615
256 HA2 GLY 20 HA2 GLY 20 2.675 1.830 -7.959
257 HA3 GLY 20 HA3 GLY 20 4.343 -0.188 -8.054
258 HA3 GLY 20 HA3 GLY 20 3.789 0.490 -8.174
259 H ARG 21 H ARG 21 3.829 0.402 -5.227
260 H ARG 21 H ARG 21 3.084 1.866 -5.038
261 HA ARG 21 HA ARG 21 1.955 -1.569 -4.666
262 HA ARG 21 HA ARG 21 2.041 -0.714 -4.180
263 HB2 ARG 21 HB2 ARG 21 2.628 0.739 -2.839
264 HB2 ARG 21 HB2 ARG 21 3.348 1.573 -2.896
265 HB3 ARG 21 HB3 ARG 21 2.082 -0.865 -2.374
266 HB3 ARG 21 HB3 ARG 21 2.017 0.907 -1.961
267 HG2 ARG 21 HG2 ARG 21 4.169 -1.586 -2.269
268 HG2 ARG 21 HG2 ARG 21 3.115 -1.011 -1.508
269 HG3 ARG 21 HG3 ARG 21 4.453 -1.106 -3.944
270 HG3 ARG 21 HG3 ARG 21 3.927 -1.044 -3.073
271 HD2 ARG 21 HD2 ARG 21 5.994 -0.056 -2.276
272 HD2 ARG 21 HD2 ARG 21 5.404 -0.668 -1.055
273 HD3 ARG 21 HD3 ARG 21 5.108 1.088 -3.285
274 HD3 ARG 21 HD3 ARG 21 5.564 0.503 -2.366
275 HE ARG 21 HE ARG 21 4.112 1.902 -1.401
276 HE ARG 21 HE ARG 21 4.876 2.123 -0.920
277 HH11 ARG 21 HH11 ARG 21 5.410 -1.254 -0.705
278 HH11 ARG 21 HH11 ARG 21 3.838 -0.965 0.305
279 HH12 ARG 21 HH12 ARG 21 5.051 -1.170 0.987
280 HH12 ARG 21 HH12 ARG 21 3.216 -0.316 1.786
281 HH21 ARG 21 HH21 ARG 21 3.636 2.021 0.827
282 HH21 ARG 21 HH21 ARG 21 4.062 2.990 1.027
283 HH22 ARG 21 HH22 ARG 21 4.041 0.692 1.857
284 HH22 ARG 21 HH22 ARG 21 3.344 1.934 2.196
285 H VAL 22 H VAL 22 0.036 -0.966 -3.043
286 H VAL 22 H VAL 22 -0.054 -1.121 -3.947
287 HA VAL 22 HA VAL 22 -1.555 1.199 -4.238
288 HA VAL 22 HA VAL 22 -2.022 0.875 -4.502
289 HB VAL 22 HB VAL 22 -3.567 -0.364 -3.972
290 HB VAL 22 HB VAL 22 -2.330 -1.960 -3.502
291 HG11 VAL 22 HG11 VAL 22 -2.952 -1.545 -6.187
292 HG11 VAL 22 HG11 VAL 22 -4.272 -0.634 -2.890
293 HG12 VAL 22 HG12 VAL 22 -3.023 0.218 -6.155
294 HG12 VAL 22 HG12 VAL 22 -4.415 -0.045 -4.548
295 HG13 VAL 22 HG13 VAL 22 -1.464 -0.606 -6.091
296 HG13 VAL 22 HG13 VAL 22 -4.677 -1.752 -4.191
297 HG21 VAL 22 HG21 VAL 22 -3.246 -2.678 -3.893
298 HG21 VAL 22 HG21 VAL 22 -2.090 -2.618 -5.613
299 HG22 VAL 22 HG22 VAL 22 -1.530 -2.547 -4.272
300 HG22 VAL 22 HG22 VAL 22 -3.261 -1.426 -6.179
301 HG23 VAL 22 HG23 VAL 22 -2.123 -2.051 -2.686
302 HG23 VAL 22 HG23 VAL 22 -1.564 -0.981 -6.003
303 H TYR 23 H TYR 23 -3.525 1.693 -2.903
304 H TYR 23 H TYR 23 -3.380 1.946 -3.150
305 HA TYR 23 HA TYR 23 -3.536 0.909 -0.147
306 HA TYR 23 HA TYR 23 -3.383 1.314 -0.304
307 HB2 TYR 23 HB2 TYR 23 -3.216 3.337 0.636
308 HB2 TYR 23 HB2 TYR 23 -2.862 3.609 0.357
309 HB3 TYR 23 HB3 TYR 23 -1.775 2.432 0.182
310 HB3 TYR 23 HB3 TYR 23 -1.538 2.921 -0.577
311 HD1 TYR 23 HD1 TYR 23 -0.563 2.967 -1.871
312 HD1 TYR 23 HD1 TYR 23 -0.964 3.795 -2.749
313 HD2 TYR 23 HD2 TYR 23 -3.983 5.207 -0.688
314 HD2 TYR 23 HD2 TYR 23 -4.282 5.365 -0.596
315 HE1 TYR 23 HE1 TYR 23 0.047 4.732 -3.469
316 HE1 TYR 23 HE1 TYR 23 -1.049 5.712 -4.288
317 HE2 TYR 23 HE2 TYR 23 -3.381 6.978 -2.286
318 HE2 TYR 23 HE2 TYR 23 -4.377 7.285 -2.130
319 HH TYR 23 HH TYR 23 -0.694 7.572 -3.445
320 HH TYR 23 HH TYR 23 -3.611 8.136 -4.063
321 H TYR 24 H TYR 24 -5.014 2.736 1.054
322 H TYR 24 H TYR 24 -4.898 3.003 0.839
323 HA TYR 24 HA TYR 24 -7.368 3.041 -0.694
324 HA TYR 24 HA TYR 24 -7.226 3.464 -0.907
325 HB2 TYR 24 HB2 TYR 24 -7.391 2.771 2.316
326 HB2 TYR 24 HB2 TYR 24 -7.425 2.725 2.009
327 HB3 TYR 24 HB3 TYR 24 -8.771 2.707 1.226
328 HB3 TYR 24 HB3 TYR 24 -8.707 2.738 0.802
329 HD1 TYR 24 HD1 TYR 24 -5.727 0.899 2.299
330 HD1 TYR 24 HD1 TYR 24 -6.305 0.744 2.492
331 HD2 TYR 24 HD2 TYR 24 -9.407 0.679 0.175
332 HD2 TYR 24 HD2 TYR 24 -8.472 1.061 -1.155
333 HE1 TYR 24 HE1 TYR 24 -5.490 -1.544 2.157
334 HE1 TYR 24 HE1 TYR 24 -5.907 -1.645 2.054
335 HE2 TYR 24 HE2 TYR 24 -9.182 -1.766 0.029
336 HE2 TYR 24 HE2 TYR 24 -8.081 -1.325 -1.602
337 HH TYR 24 HH TYR 24 -7.739 -3.501 0.286
338 HH TYR 24 HH TYR 24 -7.351 -3.266 -0.735
339 H PHE 25 H PHE 25 -8.610 4.922 -0.539
340 H PHE 25 H PHE 25 -8.159 5.422 -0.810
341 HA PHE 25 HA PHE 25 -7.529 7.107 1.088
342 HA PHE 25 HA PHE 25 -7.255 7.262 1.307
343 HB2 PHE 25 HB2 PHE 25 -6.484 7.467 -1.040
344 HB2 PHE 25 HB2 PHE 25 -6.185 7.974 -0.705
345 HB3 PHE 25 HB3 PHE 25 -7.998 7.196 -1.894
346 HB3 PHE 25 HB3 PHE 25 -7.667 7.789 -1.636
347 HD1 PHE 25 HD1 PHE 25 -9.734 8.900 -1.923
348 HD1 PHE 25 HD1 PHE 25 -8.824 9.693 -2.169
349 HD2 PHE 25 HD2 PHE 25 -6.007 9.567 0.024
350 HD2 PHE 25 HD2 PHE 25 -6.426 9.656 1.347
351 HE1 PHE 25 HE1 PHE 25 -10.203 11.314 -1.858
352 HE1 PHE 25 HE1 PHE 25 -9.365 12.061 -1.779
353 HE2 PHE 25 HE2 PHE 25 -6.472 11.982 0.094
354 HE2 PHE 25 HE2 PHE 25 -6.964 12.023 1.743
355 HZ PHE 25 HZ PHE 25 -8.574 12.857 -0.847
356 HZ PHE 25 HZ PHE 25 -8.435 13.230 0.179
357 H ASN 26 H ASN 26 -9.150 7.778 2.317
358 H ASN 26 H ASN 26 -8.752 8.764 2.090
359 HA ASN 26 HA ASN 26 -11.902 7.454 1.434
360 HA ASN 26 HA ASN 26 -11.549 8.051 1.549
361 HB2 ASN 26 HB2 ASN 26 -11.054 6.902 3.783
362 HB2 ASN 26 HB2 ASN 26 -10.563 7.889 3.906
363 HB3 ASN 26 HB3 ASN 26 -10.985 8.642 4.052
364 HB3 ASN 26 HB3 ASN 26 -10.558 9.650 3.905
365 HD21 ASN 26 HD21 ASN 26 -12.676 6.348 5.105
366 HD21 ASN 26 HD21 ASN 26 -12.089 7.524 5.410
367 HD22 ASN 26 HD22 ASN 26 -14.295 6.936 4.971
368 HD22 ASN 26 HD22 ASN 26 -13.740 8.013 5.264
369 H HIS 27 H HIS 27 -13.040 9.015 0.504
370 H HIS 27 H HIS 27 -12.864 9.453 0.579
371 HA HIS 27 HA HIS 27 -11.941 11.671 0.260
372 HA HIS 27 HA HIS 27 -11.844 12.108 -0.063
373 HB2 HIS 27 HB2 HIS 27 -13.999 12.078 -1.128
374 HB2 HIS 27 HB2 HIS 27 -13.675 12.221 -1.670
375 HB3 HIS 27 HB3 HIS 27 -12.980 10.759 -1.697
376 HB3 HIS 27 HB3 HIS 27 -12.785 10.713 -1.869
377 HD1 HIS 27 HD1 HIS 27 -16.321 11.461 -0.171
378 HD1 HIS 27 HD1 HIS 27 -14.119 8.606 -1.778
379 HD2 HIS 27 HD2 HIS 27 -14.131 8.215 -1.561
380 HD2 HIS 27 HD2 HIS 27 -16.213 11.863 -0.273
381 HE1 HIS 27 HE1 HIS 27 -17.955 9.553 -0.299
382 HE1 HIS 27 HE1 HIS 27 -16.453 7.770 -1.363
383 H ILE 28 H ILE 28 -14.484 10.087 2.053
384 H ILE 28 H ILE 28 -12.839 11.352 2.642
385 HA ILE 28 HA ILE 28 -15.872 12.419 2.867
386 HA ILE 28 HA ILE 28 -14.881 13.459 2.882
387 HB ILE 28 HB ILE 28 -15.788 9.595 3.844
388 HB ILE 28 HB ILE 28 -14.769 10.935 4.537
389 HG12 ILE 28 HG12 ILE 28 -17.191 10.362 1.893
390 HG12 ILE 28 HG12 ILE 28 -16.621 11.791 2.309
391 HG13 ILE 28 HG13 ILE 28 -18.088 9.579 3.189
392 HG13 ILE 28 HG13 ILE 28 -15.559 10.389 2.330
393 HG21 ILE 28 HG21 ILE 28 -15.960 10.520 5.940
394 HG21 ILE 28 HG21 ILE 28 -16.837 13.127 4.504
395 HG22 ILE 28 HG22 ILE 28 -16.778 11.968 5.351
396 HG22 ILE 28 HG22 ILE 28 -16.816 11.706 5.548
397 HG23 ILE 28 HG23 ILE 28 -17.657 10.443 5.466
398 HG23 ILE 28 HG23 ILE 28 -15.578 12.948 5.727
399 HD11 ILE 28 HD11 ILE 28 -18.615 12.043 2.018
400 HD11 ILE 28 HD11 ILE 28 -17.997 10.818 4.040
401 HD12 ILE 28 HD12 ILE 28 -19.365 11.363 3.462
402 HD12 ILE 28 HD12 ILE 28 -17.834 9.701 2.683
403 HD13 ILE 28 HD13 ILE 28 -17.960 12.420 3.610
404 HD13 ILE 28 HD13 ILE 28 -16.904 9.438 4.159
405 H THR 29 H THR 29 -13.264 10.525 4.331
406 H THR 29 H THR 29 -12.326 11.637 4.529
407 HA THR 29 HA THR 29 -13.066 12.459 6.519
408 HA THR 29 HA THR 29 -11.970 13.903 6.374
409 HB THR 29 HB THR 29 -11.283 10.062 6.291
410 HB THR 29 HB THR 29 -10.729 12.349 7.824
411 HG1 THR 29 HG1 THR 29 -13.295 9.148 5.976
412 HG1 THR 29 HG1 THR 29 -9.998 10.606 6.881
413 HG21 THR 29 HG21 THR 29 -12.074 10.235 8.865
414 HG21 THR 29 HG21 THR 29 -13.369 11.090 7.106
415 HG22 THR 29 HG22 THR 29 -12.221 11.924 8.381
416 HG22 THR 29 HG22 THR 29 -13.256 12.645 7.931
417 HG23 THR 29 HG23 THR 29 -10.677 11.090 8.213
418 HG23 THR 29 HG23 THR 29 -12.601 11.194 8.689
419 H ASN 30 H ASN 30 -11.579 11.626 3.549
420 H ASN 30 H ASN 30 -10.846 13.056 3.522
421 HA ASN 30 HA ASN 30 -9.862 12.572 2.391
422 HA ASN 30 HA ASN 30 -8.867 13.194 2.381
423 HB2 ASN 30 HB2 ASN 30 -10.801 14.648 3.798
424 HB2 ASN 30 HB2 ASN 30 -9.439 15.580 3.200
425 HB3 ASN 30 HB3 ASN 30 -9.207 14.528 4.535
426 HB3 ASN 30 HB3 ASN 30 -8.121 15.349 4.345
427 HD21 ASN 30 HD21 ASN 30 -7.562 13.895 2.558
428 HD21 ASN 30 HD21 ASN 30 -6.062 14.503 3.284
429 HD22 ASN 30 HD22 ASN 30 -7.576 15.094 1.314
430 HD22 ASN 30 HD22 ASN 30 -5.602 15.274 1.808
431 H ALA 31 H ALA 31 -9.364 10.348 3.990
432 H ALA 31 H ALA 31 -8.406 11.048 3.545
433 HA ALA 31 HA ALA 31 -6.689 10.871 5.098
434 HA ALA 31 HA ALA 31 -5.693 11.193 4.536
435 HB1 ALA 31 HB1 ALA 31 -6.931 8.997 6.480
436 HB1 ALA 31 HB1 ALA 31 -7.118 11.449 6.568
437 HB2 ALA 31 HB2 ALA 31 -8.508 9.787 6.523
438 HB2 ALA 31 HB2 ALA 31 -7.773 9.844 6.247
439 HB3 ALA 31 HB3 ALA 31 -8.267 8.354 5.525
440 HB3 ALA 31 HB3 ALA 31 -6.057 10.042 6.599
441 H SER 32 H SER 32 -5.284 8.750 4.921
442 H SER 32 H SER 32 -4.565 9.235 4.358
443 HA SER 32 HA SER 32 -5.589 7.285 2.465
444 HA SER 32 HA SER 32 -6.005 7.120 2.889
445 HB2 SER 32 HB2 SER 32 -3.077 8.909 2.591
446 HB2 SER 32 HB2 SER 32 -4.357 8.411 1.512
447 HB3 SER 32 HB3 SER 32 -3.877 8.198 1.191
448 HB3 SER 32 HB3 SER 32 -3.083 7.846 2.591
449 HG SER 32 HG SER 32 -4.030 10.657 1.892
450 HG SER 32 HG SER 32 -3.142 5.954 1.663
451 H GLN 33 H GLN 33 -5.529 5.625 4.103
452 H GLN 33 H GLN 33 -5.166 4.942 3.151
453 HA GLN 33 HA GLN 33 -2.859 5.131 5.228
454 HA GLN 33 HA GLN 33 -3.425 4.431 5.408
455 HB2 GLN 33 HB2 GLN 33 -3.985 3.573 6.766
456 HB2 GLN 33 HB2 GLN 33 -5.719 4.720 6.376
457 HB3 GLN 33 HB3 GLN 33 -4.640 5.201 6.886
458 HB3 GLN 33 HB3 GLN 33 -6.242 3.342 5.417
459 HG2 GLN 33 HG2 GLN 33 -6.530 4.526 5.470
460 HG2 GLN 33 HG2 GLN 33 -4.715 1.892 6.591
461 HG3 GLN 33 HG3 GLN 33 -5.882 2.887 5.413
462 HG3 GLN 33 HG3 GLN 33 -4.061 3.261 7.489
463 HE21 GLN 33 HE21 GLN 33 -7.072 1.619 6.635
464 HE21 GLN 33 HE21 GLN 33 -6.842 1.197 7.030
465 HE22 GLN 33 HE22 GLN 33 -7.671 1.992 8.212
466 HE22 GLN 33 HE22 GLN 33 -7.603 1.558 8.540
467 H PHE 34 H PHE 34 -2.066 2.914 5.226
468 H PHE 34 H PHE 34 -2.288 2.596 5.146
469 HA PHE 34 HA PHE 34 -2.539 1.663 2.654
470 HA PHE 34 HA PHE 34 -2.636 1.119 2.700
471 HB2 PHE 34 HB2 PHE 34 -0.620 0.734 4.789
472 HB2 PHE 34 HB2 PHE 34 -0.658 0.808 4.967
473 HB3 PHE 34 HB3 PHE 34 -0.557 0.408 3.060
474 HB3 PHE 34 HB3 PHE 34 -0.611 -0.120 3.472
475 HD1 PHE 34 HD1 PHE 34 0.472 2.580 5.702
476 HD1 PHE 34 HD1 PHE 34 0.840 2.523 5.092
477 HD2 PHE 34 HD2 PHE 34 -0.106 2.344 1.492
478 HD2 PHE 34 HD2 PHE 34 -0.831 1.529 1.306
479 HE1 PHE 34 HE1 PHE 34 1.944 4.530 5.394
480 HE1 PHE 34 HE1 PHE 34 2.175 4.304 4.041
481 HE2 PHE 34 HE2 PHE 34 1.365 4.292 1.177
482 HE2 PHE 34 HE2 PHE 34 0.502 3.306 0.247
483 HZ PHE 34 HZ PHE 34 2.393 5.387 3.129
484 HZ PHE 34 HZ PHE 34 2.008 4.695 1.615
485 H GLU 35 H GLU 35 -3.248 1.106 6.011
486 H GLU 35 H GLU 35 -3.210 0.599 6.117
487 HA GLU 35 HA GLU 35 -3.871 -1.664 5.778
488 HA GLU 35 HA GLU 35 -3.729 -2.210 5.864
489 HB2 GLU 35 HB2 GLU 35 -3.399 -0.121 7.889
490 HB2 GLU 35 HB2 GLU 35 -4.599 -0.403 8.119
491 HB3 GLU 35 HB3 GLU 35 -5.151 0.021 7.878
492 HB3 GLU 35 HB3 GLU 35 -4.351 -2.143 8.170
493 HG2 GLU 35 HG2 GLU 35 -5.478 -2.178 8.407
494 HG2 GLU 35 HG2 GLU 35 -1.900 -1.364 7.415
495 HG3 GLU 35 HG3 GLU 35 -3.946 -2.690 7.701
496 HG3 GLU 35 HG3 GLU 35 -2.398 0.057 8.329
497 H ARG 36 H ARG 36 -5.798 -2.676 5.422
498 H ARG 36 H ARG 36 -5.593 -3.222 5.426
499 HA ARG 36 HA ARG 36 -7.744 -1.343 3.874
500 HA ARG 36 HA ARG 36 -7.727 -1.950 4.203
501 HB2 ARG 36 HB2 ARG 36 -7.298 -3.741 3.647
502 HB2 ARG 36 HB2 ARG 36 -7.277 -4.351 3.980
503 HB3 ARG 36 HB3 ARG 36 -7.898 -4.017 5.276
504 HB3 ARG 36 HB3 ARG 36 -7.735 -4.599 5.660
505 HG2 ARG 36 HG2 ARG 36 -10.115 -3.173 4.541
506 HG2 ARG 36 HG2 ARG 36 -9.993 -3.541 4.920
507 HG3 ARG 36 HG3 ARG 36 -9.482 -3.079 2.897
508 HG3 ARG 36 HG3 ARG 36 -9.451 -3.984 3.301
509 HD2 ARG 36 HD2 ARG 36 -9.841 -5.250 2.581
510 HD2 ARG 36 HD2 ARG 36 -8.947 -6.252 4.784
511 HD3 ARG 36 HD3 ARG 36 -8.915 -5.655 4.025
512 HD3 ARG 36 HD3 ARG 36 -10.463 -5.657 5.459
513 HE ARG 36 HE ARG 36 -11.297 -4.860 5.023
514 HE ARG 36 HE ARG 36 -10.417 -5.745 2.583
515 HH11 ARG 36 HH11 ARG 36 -10.378 -7.162 2.579
516 HH11 ARG 36 HH11 ARG 36 -11.065 -7.525 5.505
517 HH12 ARG 36 HH12 ARG 36 -11.731 -8.204 2.866
518 HH12 ARG 36 HH12 ARG 36 -12.143 -8.645 4.738
519 HH21 ARG 36 HH21 ARG 36 -13.085 -6.225 5.411
520 HH21 ARG 36 HH21 ARG 36 -11.835 -7.211 1.562
521 HH22 ARG 36 HH22 ARG 36 -13.272 -7.670 4.476
522 HH22 ARG 36 HH22 ARG 36 -12.579 -8.466 2.496
523 HA PRO 37 HA PRO 37 -10.254 0.455 7.034
524 HA PRO 37 HA PRO 37 -9.552 -0.102 7.868
525 HB2 PRO 37 HB2 PRO 37 -12.448 0.957 5.519
526 HB2 PRO 37 HB2 PRO 37 -11.359 1.392 6.499
527 HB3 PRO 37 HB3 PRO 37 -10.967 1.914 5.409
528 HB3 PRO 37 HB3 PRO 37 -9.662 1.855 6.669
529 HG2 PRO 37 HG2 PRO 37 -11.918 -0.309 3.645
530 HG2 PRO 37 HG2 PRO 37 -11.039 0.522 4.370
531 HG3 PRO 37 HG3 PRO 37 -11.174 1.237 3.195
532 HG3 PRO 37 HG3 PRO 37 -9.844 1.832 4.351
533 HD2 PRO 37 HD2 PRO 37 -9.782 -1.085 3.265
534 HD2 PRO 37 HD2 PRO 37 -9.189 -0.744 3.836
535 HD3 PRO 37 HD3 PRO 37 -9.042 0.485 3.641
536 HD3 PRO 37 HD3 PRO 37 -8.069 0.387 4.622
537 H SER 38 H SER 38 -11.637 -0.313 8.526
538 H SER 38 H SER 38 -11.760 0.010 8.745
539 HA SER 38 HA SER 38 -12.610 -2.975 8.328
540 HA SER 38 HA SER 38 -13.586 -1.983 7.588
541 HB2 SER 38 HB2 SER 38 -13.740 -2.414 10.523
542 HB2 SER 38 HB2 SER 38 -12.349 -3.061 9.419
543 HB3 SER 38 HB3 SER 38 -11.994 -2.171 10.496
544 HB3 SER 38 HB3 SER 38 -12.840 -1.771 10.517
545 HG SER 38 HG SER 38 -12.933 -0.370 11.414
546 HG SER 38 HG SER 38 -14.848 -2.540 10.556
547 H GLY 39 H GLY 39 -14.355 0.124 8.662
548 H GLY 39 H GLY 39 -15.788 -1.869 8.732
549 HA2 GLY 39 HA2 GLY 39 -16.273 0.782 7.493
550 HA2 GLY 39 HA2 GLY 39 -16.679 0.360 10.129
551 HA3 GLY 39 HA3 GLY 39 -16.405 -0.842 6.839
552 HA3 GLY 39 HA3 GLY 39 -16.788 0.771 8.422
Start of MODEL 6
1 H1 SER 5 H SER 5 -15.317 -1.690 -3.368
2 H1 SER 5 H SER 5 -13.936 -3.650 -5.776
3 HA SER 5 HA SER 5 -17.200 -2.974 -4.492
4 HA SER 5 HA SER 5 -16.736 -3.508 -5.628
5 HB2 SER 5 HB2 SER 5 -14.914 -4.276 -5.519
6 HB2 SER 5 HB2 SER 5 -14.847 -5.867 -5.547
7 HB3 SER 5 HB3 SER 5 -15.734 -5.452 -4.495
8 HB3 SER 5 HB3 SER 5 -16.600 -6.038 -5.610
9 HG SER 5 HG SER 5 -16.614 -4.196 -6.830
10 HG SER 5 HG SER 5 -15.387 -4.375 -7.494
11 H LYS 6 H LYS 6 -14.597 -3.959 -2.315
12 H LYS 6 H LYS 6 -14.636 -5.427 -3.480
13 HA LYS 6 HA LYS 6 -16.535 -5.240 -0.536
14 HA LYS 6 HA LYS 6 -16.661 -5.304 -1.399
15 HB2 LYS 6 HB2 LYS 6 -14.517 -6.510 -1.016
16 HB2 LYS 6 HB2 LYS 6 -15.488 -7.433 -1.933
17 HB3 LYS 6 HB3 LYS 6 -13.513 -5.171 -0.474
18 HB3 LYS 6 HB3 LYS 6 -13.981 -6.706 -1.391
19 HG2 LYS 6 HG2 LYS 6 -13.495 -6.089 1.537
20 HG2 LYS 6 HG2 LYS 6 -15.495 -6.274 0.782
21 HG3 LYS 6 HG3 LYS 6 -15.219 -5.725 1.665
22 HG3 LYS 6 HG3 LYS 6 -16.256 -7.742 0.168
23 HD2 LYS 6 HD2 LYS 6 -14.987 -8.042 2.108
24 HD2 LYS 6 HD2 LYS 6 -13.283 -7.470 0.564
25 HD3 LYS 6 HD3 LYS 6 -15.646 -7.911 0.476
26 HD3 LYS 6 HD3 LYS 6 -14.370 -8.086 1.809
27 HE2 LYS 6 HE2 LYS 6 -13.475 -8.315 -0.484
28 HE2 LYS 6 HE2 LYS 6 -14.242 -9.254 -0.959
29 HE3 LYS 6 HE3 LYS 6 -12.720 -8.281 1.110
30 HE3 LYS 6 HE3 LYS 6 -13.206 -9.811 0.354
31 HZ1 LYS 6 HZ1 LYS 6 -13.773 -10.290 1.703
32 HZ1 LYS 6 HZ1 LYS 6 -16.176 -9.835 0.353
33 HZ2 LYS 6 HZ2 LYS 6 -13.143 -10.543 0.155
34 HZ2 LYS 6 HZ2 LYS 6 -15.195 -10.345 1.633
35 HZ3 LYS 6 HZ3 LYS 6 -14.797 -10.256 0.357
36 HZ3 LYS 6 HZ3 LYS 6 -15.173 -11.184 0.164
37 H LEU 7 H LEU 7 -14.184 -2.607 -0.610
38 H LEU 7 H LEU 7 -16.073 -2.837 -1.512
39 HA LEU 7 HA LEU 7 -14.290 -1.811 2.048
40 HA LEU 7 HA LEU 7 -14.222 -2.347 0.714
41 HB2 LEU 7 HB2 LEU 7 -14.130 0.118 -0.246
42 HB2 LEU 7 HB2 LEU 7 -14.034 -1.353 -2.010
43 HB3 LEU 7 HB3 LEU 7 -13.408 0.265 1.353
44 HB3 LEU 7 HB3 LEU 7 -14.078 -0.050 -0.824
45 HG LEU 7 HG LEU 7 -12.405 -2.065 -0.034
46 HG LEU 7 HG LEU 7 -12.116 -0.943 0.280
47 HD11 LEU 7 HD11 LEU 7 -12.781 -0.923 -2.079
48 HD11 LEU 7 HD11 LEU 7 -11.013 -2.842 -1.320
49 HD12 LEU 7 HD12 LEU 7 -11.071 -0.741 -1.695
50 HD12 LEU 7 HD12 LEU 7 -12.722 -3.279 -1.385
51 HD13 LEU 7 HD13 LEU 7 -12.184 0.599 -1.416
52 HD13 LEU 7 HD13 LEU 7 -11.897 -3.171 0.171
53 HD21 LEU 7 HD21 LEU 7 -10.349 -1.294 0.744
54 HD21 LEU 7 HD21 LEU 7 -11.572 0.591 -1.410
55 HD22 LEU 7 HD22 LEU 7 -11.493 -0.731 1.962
56 HD22 LEU 7 HD22 LEU 7 -11.932 -0.563 -2.695
57 HD23 LEU 7 HD23 LEU 7 -10.873 0.391 0.749
58 HD23 LEU 7 HD23 LEU 7 -10.502 -0.782 -1.685
59 HA PRO 8 HA PRO 8 -18.288 -0.118 2.708
60 HA PRO 8 HA PRO 8 -17.515 -0.009 2.444
61 HB2 PRO 8 HB2 PRO 8 -17.721 1.856 4.486
62 HB2 PRO 8 HB2 PRO 8 -16.114 1.743 3.973
63 HB3 PRO 8 HB3 PRO 8 -17.679 0.140 4.909
64 HB3 PRO 8 HB3 PRO 8 -16.286 0.032 4.386
65 HG2 PRO 8 HG2 PRO 8 -15.420 1.974 4.207
66 HG2 PRO 8 HG2 PRO 8 -14.001 1.442 3.061
67 HG3 PRO 8 HG3 PRO 8 -15.513 0.754 5.491
68 HG3 PRO 8 HG3 PRO 8 -13.968 0.207 4.332
69 HD2 PRO 8 HD2 PRO 8 -14.235 0.306 3.146
70 HD2 PRO 8 HD2 PRO 8 -13.495 -0.370 1.730
71 HD3 PRO 8 HD3 PRO 8 -15.058 -0.983 4.047
72 HD3 PRO 8 HD3 PRO 8 -14.270 -1.521 2.838
73 HA PRO 9 HA PRO 9 -19.089 3.507 0.349
74 HA PRO 9 HA PRO 9 -18.194 3.665 0.123
75 HB2 PRO 9 HB2 PRO 9 -20.886 4.895 1.837
76 HB2 PRO 9 HB2 PRO 9 -19.769 5.084 1.818
77 HB3 PRO 9 HB3 PRO 9 -21.288 3.389 1.005
78 HB3 PRO 9 HB3 PRO 9 -20.338 3.654 0.950
79 HG2 PRO 9 HG2 PRO 9 -20.590 3.834 3.880
80 HG2 PRO 9 HG2 PRO 9 -19.390 3.899 3.777
81 HG3 PRO 9 HG3 PRO 9 -21.861 2.813 3.183
82 HG3 PRO 9 HG3 PRO 9 -20.777 3.000 3.137
83 HD2 PRO 9 HD2 PRO 9 -19.500 1.811 4.056
84 HD2 PRO 9 HD2 PRO 9 -18.430 1.804 3.767
85 HD3 PRO 9 HD3 PRO 9 -20.392 1.105 2.693
86 HD3 PRO 9 HD3 PRO 9 -19.471 1.230 2.447
87 H GLY 10 H GLY 10 -16.916 4.372 0.567
88 H GLY 10 H GLY 10 -17.355 5.690 -0.192
89 HA2 GLY 10 HA2 GLY 10 -16.702 7.016 1.103
90 HA2 GLY 10 HA2 GLY 10 -16.424 7.759 0.458
91 HA3 GLY 10 HA3 GLY 10 -16.382 6.284 2.667
92 HA3 GLY 10 HA3 GLY 10 -16.162 7.108 2.069
93 H TRP 11 H TRP 11 -15.202 3.922 1.114
94 H TRP 11 H TRP 11 -14.894 4.669 1.099
95 HA TRP 11 HA TRP 11 -12.555 5.150 0.751
96 HA TRP 11 HA TRP 11 -12.232 5.758 0.749
97 HB2 TRP 11 HB2 TRP 11 -13.438 2.417 1.636
98 HB2 TRP 11 HB2 TRP 11 -13.186 2.907 1.100
99 HB3 TRP 11 HB3 TRP 11 -11.819 2.667 0.990
100 HB3 TRP 11 HB3 TRP 11 -11.497 3.405 1.047
101 HD1 TRP 11 HD1 TRP 11 -13.899 3.186 4.094
102 HD1 TRP 11 HD1 TRP 11 -14.612 3.654 3.283
103 HE1 TRP 11 HE1 TRP 11 -12.418 4.152 5.963
104 HE1 TRP 11 HE1 TRP 11 -13.851 4.209 5.678
105 HE3 TRP 11 HE3 TRP 11 -9.725 4.268 1.347
106 HE3 TRP 11 HE3 TRP 11 -9.639 4.432 2.393
107 HZ2 TRP 11 HZ2 TRP 11 -9.825 5.232 6.238
108 HZ2 TRP 11 HZ2 TRP 11 -11.457 4.886 7.013
109 HZ3 TRP 11 HZ3 TRP 11 -7.788 5.267 2.488
110 HZ3 TRP 11 HZ3 TRP 11 -8.182 5.031 4.284
111 HH2 TRP 11 HH2 TRP 11 -7.839 5.738 4.883
112 HH2 TRP 11 HH2 TRP 11 -9.075 5.254 6.545
113 H GLU 12 H GLU 12 -11.523 5.035 -1.157
114 H GLU 12 H GLU 12 -10.869 5.381 -0.984
115 HA GLU 12 HA GLU 12 -12.736 3.376 -3.268
116 HA GLU 12 HA GLU 12 -12.057 4.088 -3.342
117 HB2 GLU 12 HB2 GLU 12 -12.674 5.085 -4.770
118 HB2 GLU 12 HB2 GLU 12 -11.714 6.819 -3.098
119 HB3 GLU 12 HB3 GLU 12 -12.823 6.046 -3.305
120 HB3 GLU 12 HB3 GLU 12 -10.276 6.317 -3.976
121 HG2 GLU 12 HG2 GLU 12 -11.085 7.141 -4.232
122 HG2 GLU 12 HG2 GLU 12 -13.142 6.116 -4.780
123 HG3 GLU 12 HG3 GLU 12 -10.169 5.879 -3.411
124 HG3 GLU 12 HG3 GLU 12 -11.778 6.798 -5.661
125 H LYS 13 H LYS 13 -11.269 2.676 -4.967
126 H LYS 13 H LYS 13 -10.677 2.919 -4.619
127 HA LYS 13 HA LYS 13 -8.729 1.847 -3.860
128 HA LYS 13 HA LYS 13 -8.102 2.277 -3.437
129 HB2 LYS 13 HB2 LYS 13 -10.421 0.502 -5.370
130 HB2 LYS 13 HB2 LYS 13 -9.514 0.429 -4.126
131 HB3 LYS 13 HB3 LYS 13 -9.538 1.273 -6.681
132 HB3 LYS 13 HB3 LYS 13 -9.611 1.070 -5.760
133 HG2 LYS 13 HG2 LYS 13 -7.492 0.260 -5.997
134 HG2 LYS 13 HG2 LYS 13 -7.122 0.768 -5.918
135 HG3 LYS 13 HG3 LYS 13 -8.223 -0.336 -4.505
136 HG3 LYS 13 HG3 LYS 13 -7.209 -0.104 -4.385
137 HD2 LYS 13 HD2 LYS 13 -9.884 -1.431 -6.329
138 HD2 LYS 13 HD2 LYS 13 -9.020 -0.911 -6.614
139 HD3 LYS 13 HD3 LYS 13 -8.381 -1.395 -7.254
140 HD3 LYS 13 HD3 LYS 13 -7.320 -1.383 -6.680
141 HE2 LYS 13 HE2 LYS 13 -7.883 -2.317 -4.578
142 HE2 LYS 13 HE2 LYS 13 -9.163 -1.929 -4.356
143 HE3 LYS 13 HE3 LYS 13 -9.168 -3.270 -5.318
144 HE3 LYS 13 HE3 LYS 13 -8.797 -3.088 -5.634
145 HZ1 LYS 13 HZ1 LYS 13 -7.772 -3.951 -7.034
146 HZ1 LYS 13 HZ1 LYS 13 -6.886 -1.920 -3.688
147 HZ2 LYS 13 HZ2 LYS 13 -6.777 -4.026 -5.669
148 HZ2 LYS 13 HZ2 LYS 13 -6.427 -2.876 -5.005
149 HZ3 LYS 13 HZ3 LYS 13 -6.638 -2.729 -6.747
150 HZ3 LYS 13 HZ3 LYS 13 -7.392 -3.532 -3.780
151 H ARG 14 H ARG 14 -6.956 3.034 -4.039
152 H ARG 14 H ARG 14 -6.304 3.274 -4.033
153 HA ARG 14 HA ARG 14 -6.647 4.748 -6.417
154 HA ARG 14 HA ARG 14 -6.095 4.261 -6.802
155 HB2 ARG 14 HB2 ARG 14 -6.458 5.369 -3.602
156 HB2 ARG 14 HB2 ARG 14 -4.938 5.565 -4.333
157 HB3 ARG 14 HB3 ARG 14 -4.937 5.714 -4.415
158 HB3 ARG 14 HB3 ARG 14 -4.777 6.149 -5.984
159 HG2 ARG 14 HG2 ARG 14 -6.777 6.782 -6.137
160 HG2 ARG 14 HG2 ARG 14 -7.549 5.767 -5.251
161 HG3 ARG 14 HG3 ARG 14 -7.497 7.096 -4.558
162 HG3 ARG 14 HG3 ARG 14 -6.720 6.865 -4.146
163 HD2 ARG 14 HD2 ARG 14 -5.962 8.641 -4.046
164 HD2 ARG 14 HD2 ARG 14 -6.855 7.089 -7.151
165 HD3 ARG 14 HD3 ARG 14 -4.636 7.647 -4.645
166 HD3 ARG 14 HD3 ARG 14 -7.696 8.107 -5.983
167 HE ARG 14 HE ARG 14 -6.215 8.805 -6.738
168 HE ARG 14 HE ARG 14 -5.018 8.320 -5.380
169 HH11 ARG 14 HH11 ARG 14 -3.582 9.345 -4.529
170 HH11 ARG 14 HH11 ARG 14 -7.058 8.968 -8.126
171 HH12 ARG 14 HH12 ARG 14 -2.829 10.555 -5.516
172 HH12 ARG 14 HH12 ARG 14 -6.072 10.265 -8.716
173 HH21 ARG 14 HH21 ARG 14 -5.235 10.396 -8.049
174 HH21 ARG 14 HH21 ARG 14 -3.712 10.027 -6.149
175 HH22 ARG 14 HH22 ARG 14 -3.770 11.152 -7.518
176 HH22 ARG 14 HH22 ARG 14 -4.169 10.866 -7.592
177 H MET 15 H MET 15 -4.508 5.013 -7.247
178 H MET 15 H MET 15 -3.751 4.642 -7.437
179 HA MET 15 HA MET 15 -2.693 2.809 -6.517
180 HA MET 15 HA MET 15 -1.967 2.662 -6.200
181 HB2 MET 15 HB2 MET 15 -3.933 2.992 -8.886
182 HB2 MET 15 HB2 MET 15 -2.831 1.535 -8.122
183 HB3 MET 15 HB3 MET 15 -2.538 4.008 -9.233
184 HB3 MET 15 HB3 MET 15 -2.606 2.955 -9.134
185 HG2 MET 15 HG2 MET 15 -1.653 1.625 -7.941
186 HG2 MET 15 HG2 MET 15 -0.445 2.502 -9.516
187 HG3 MET 15 HG3 MET 15 -2.712 1.198 -9.283
188 HG3 MET 15 HG3 MET 15 -0.162 1.955 -7.865
189 HE1 MET 15 HE1 MET 15 1.160 0.843 -10.282
190 HE1 MET 15 HE1 MET 15 1.480 0.646 -9.282
191 HE2 MET 15 HE2 MET 15 0.104 0.312 -8.972
192 HE2 MET 15 HE2 MET 15 1.160 -1.053 -9.635
193 HE3 MET 15 HE3 MET 15 -0.348 0.008 -10.651
194 HE3 MET 15 HE3 MET 15 0.909 0.171 -10.882
195 H SER 16 H SER 16 -0.381 3.250 -7.152
196 H SER 16 H SER 16 0.043 3.380 -5.849
197 HA SER 16 HA SER 16 0.295 5.991 -6.355
198 HA SER 16 HA SER 16 0.731 6.063 -6.144
199 HB2 SER 16 HB2 SER 16 1.244 3.488 -5.498
200 HB2 SER 16 HB2 SER 16 1.799 3.959 -4.793
201 HB3 SER 16 HB3 SER 16 2.559 4.194 -6.439
202 HB3 SER 16 HB3 SER 16 2.990 4.158 -6.079
203 HG SER 16 HG SER 16 2.840 5.004 -4.436
204 HG SER 16 HG SER 16 2.080 6.379 -4.605
205 H ARG 17 H ARG 17 2.423 6.805 -7.287
206 H ARG 17 H ARG 17 2.769 6.810 -7.319
207 HA ARG 17 HA ARG 17 2.572 6.133 -10.153
208 HA ARG 17 HA ARG 17 2.741 5.744 -10.066
209 HB2 ARG 17 HB2 ARG 17 1.516 8.290 -9.926
210 HB2 ARG 17 HB2 ARG 17 1.722 7.901 -10.110
211 HB3 ARG 17 HB3 ARG 17 2.774 8.839 -8.830
212 HB3 ARG 17 HB3 ARG 17 2.981 8.588 -9.092
213 HG2 ARG 17 HG2 ARG 17 4.409 8.614 -10.689
214 HG2 ARG 17 HG2 ARG 17 4.606 8.243 -10.906
215 HG3 ARG 17 HG3 ARG 17 3.059 8.242 -11.762
216 HG3 ARG 17 HG3 ARG 17 3.305 7.624 -11.925
217 HD2 ARG 17 HD2 ARG 17 3.622 10.800 -10.288
218 HD2 ARG 17 HD2 ARG 17 3.658 10.404 -10.838
219 HD3 ARG 17 HD3 ARG 17 3.492 10.549 -12.028
220 HD3 ARG 17 HD3 ARG 17 3.592 9.892 -12.524
221 HE ARG 17 HE ARG 17 1.043 9.844 -11.047
222 HE ARG 17 HE ARG 17 1.174 9.161 -11.590
223 HH11 ARG 17 HH11 ARG 17 3.045 12.686 -10.872
224 HH11 ARG 17 HH11 ARG 17 2.966 12.142 -11.430
225 HH12 ARG 17 HH12 ARG 17 1.706 13.781 -10.754
226 HH12 ARG 17 HH12 ARG 17 1.553 13.142 -11.406
227 HH21 ARG 17 HH21 ARG 17 -0.727 11.274 -10.892
228 HH21 ARG 17 HH21 ARG 17 -0.695 10.469 -11.561
229 HH22 ARG 17 HH22 ARG 17 -0.438 12.976 -10.765
230 HH22 ARG 17 HH22 ARG 17 -0.528 12.190 -11.481
231 H ASN 18 H ASN 18 4.291 7.106 -7.254
232 H ASN 18 H ASN 18 4.646 6.808 -7.370
233 HA ASN 18 HA ASN 18 6.836 6.518 -8.619
234 HA ASN 18 HA ASN 18 7.141 6.862 -8.796
235 HB2 ASN 18 HB2 ASN 18 6.694 8.072 -6.058
236 HB2 ASN 18 HB2 ASN 18 6.601 6.809 -5.818
237 HB3 ASN 18 HB3 ASN 18 7.926 8.113 -7.316
238 HB3 ASN 18 HB3 ASN 18 8.153 7.158 -6.575
239 HD21 ASN 18 HD21 ASN 18 6.492 8.526 -9.566
240 HD21 ASN 18 HD21 ASN 18 7.497 9.033 -4.985
241 HD22 ASN 18 HD22 ASN 18 5.688 10.053 -9.493
242 HD22 ASN 18 HD22 ASN 18 6.806 10.407 -5.769
243 H SER 19 H SER 19 5.654 4.302 -7.901
244 H SER 19 H SER 19 5.629 4.671 -6.439
245 HA SER 19 HA SER 19 7.382 3.110 -6.033
246 HA SER 19 HA SER 19 7.642 2.639 -7.117
247 HB2 SER 19 HB2 SER 19 5.017 4.331 -4.902
248 HB2 SER 19 HB2 SER 19 6.868 1.490 -5.047
249 HB3 SER 19 HB3 SER 19 5.001 2.587 -4.639
250 HB3 SER 19 HB3 SER 19 7.491 3.110 -4.737
251 HG SER 19 HG SER 19 7.383 3.967 -4.162
252 HG SER 19 HG SER 19 5.339 3.848 -4.653
253 H GLY 20 H GLY 20 3.900 2.554 -6.517
254 H GLY 20 H GLY 20 4.188 2.651 -6.202
255 HA2 GLY 20 HA2 GLY 20 3.297 1.016 -8.407
256 HA2 GLY 20 HA2 GLY 20 2.633 1.881 -8.019
257 HA3 GLY 20 HA3 GLY 20 4.611 0.004 -7.829
258 HA3 GLY 20 HA3 GLY 20 3.767 0.557 -8.245
259 H ARG 21 H ARG 21 3.898 0.630 -5.001
260 H ARG 21 H ARG 21 2.934 1.805 -5.087
261 HA ARG 21 HA ARG 21 2.353 -1.608 -4.433
262 HA ARG 21 HA ARG 21 1.849 -0.813 -4.390
263 HB2 ARG 21 HB2 ARG 21 2.621 0.874 -2.726
264 HB2 ARG 21 HB2 ARG 21 3.174 1.370 -2.953
265 HB3 ARG 21 HB3 ARG 21 2.168 -0.732 -2.169
266 HB3 ARG 21 HB3 ARG 21 1.805 0.692 -2.086
267 HG2 ARG 21 HG2 ARG 21 4.335 -1.583 -2.547
268 HG2 ARG 21 HG2 ARG 21 2.816 -1.321 -1.773
269 HG3 ARG 21 HG3 ARG 21 4.807 -0.162 -3.482
270 HG3 ARG 21 HG3 ARG 21 3.762 -1.201 -3.259
271 HD2 ARG 21 HD2 ARG 21 5.673 -0.317 -1.095
272 HD2 ARG 21 HD2 ARG 21 5.060 -1.032 -1.097
273 HD3 ARG 21 HD3 ARG 21 4.906 1.197 -1.572
274 HD3 ARG 21 HD3 ARG 21 5.321 0.265 -2.262
275 HE ARG 21 HE ARG 21 3.133 -0.701 -0.318
276 HE ARG 21 HE ARG 21 3.275 0.987 -0.458
277 HH11 ARG 21 HH11 ARG 21 5.347 1.942 0.163
278 HH11 ARG 21 HH11 ARG 21 6.725 0.556 -0.629
279 HH12 ARG 21 HH12 ARG 21 4.669 2.404 1.689
280 HH12 ARG 21 HH12 ARG 21 7.062 1.709 0.620
281 HH21 ARG 21 HH21 ARG 21 2.230 -0.101 1.689
282 HH21 ARG 21 HH21 ARG 21 3.705 2.507 1.188
283 HH22 ARG 21 HH22 ARG 21 2.897 1.241 2.556
284 HH22 ARG 21 HH22 ARG 21 5.343 2.816 1.654
285 H VAL 22 H VAL 22 0.278 -1.272 -2.928
286 H VAL 22 H VAL 22 -0.254 -1.197 -4.166
287 HA VAL 22 HA VAL 22 -1.590 0.534 -4.306
288 HA VAL 22 HA VAL 22 -2.178 0.856 -4.678
289 HB VAL 22 HB VAL 22 -2.111 -2.374 -3.670
290 HB VAL 22 HB VAL 22 -2.539 -2.021 -3.831
291 HG11 VAL 22 HG11 VAL 22 -4.084 -1.027 -3.224
292 HG11 VAL 22 HG11 VAL 22 -4.473 -0.738 -3.148
293 HG12 VAL 22 HG12 VAL 22 -3.953 -0.276 -4.817
294 HG12 VAL 22 HG12 VAL 22 -4.586 -0.003 -4.749
295 HG13 VAL 22 HG13 VAL 22 -4.318 -1.997 -4.678
296 HG13 VAL 22 HG13 VAL 22 -4.883 -1.731 -4.546
297 HG21 VAL 22 HG21 VAL 22 -2.036 -2.817 -5.934
298 HG21 VAL 22 HG21 VAL 22 -2.483 -2.589 -6.000
299 HG22 VAL 22 HG22 VAL 22 -2.328 -1.137 -6.382
300 HG22 VAL 22 HG22 VAL 22 -3.374 -1.153 -6.502
301 HG23 VAL 22 HG23 VAL 22 -0.750 -1.622 -5.763
302 HG23 VAL 22 HG23 VAL 22 -1.638 -1.058 -6.213
303 H TYR 23 H TYR 23 -3.220 1.388 -3.054
304 H TYR 23 H TYR 23 -3.541 1.888 -3.299
305 HA TYR 23 HA TYR 23 -3.634 0.470 -0.343
306 HA TYR 23 HA TYR 23 -3.606 1.123 -0.487
307 HB2 TYR 23 HB2 TYR 23 -3.118 2.671 0.670
308 HB2 TYR 23 HB2 TYR 23 -3.061 3.375 0.288
309 HB3 TYR 23 HB3 TYR 23 -1.696 1.900 -0.020
310 HB3 TYR 23 HB3 TYR 23 -1.731 2.709 -0.652
311 HD1 TYR 23 HD1 TYR 23 -3.805 4.810 -0.041
312 HD1 TYR 23 HD1 TYR 23 -4.423 5.204 -0.594
313 HD2 TYR 23 HD2 TYR 23 -0.868 2.691 -2.276
314 HD2 TYR 23 HD2 TYR 23 -1.118 3.662 -2.786
315 HE1 TYR 23 HE1 TYR 23 -3.360 6.834 -1.366
316 HE1 TYR 23 HE1 TYR 23 -4.460 7.197 -2.038
317 HE2 TYR 23 HE2 TYR 23 -0.414 4.710 -3.605
318 HE2 TYR 23 HE2 TYR 23 -1.144 5.650 -4.234
319 HH TYR 23 HH TYR 23 -1.454 6.779 -4.223
320 HH TYR 23 HH TYR 23 -3.460 8.288 -3.694
321 H TYR 24 H TYR 24 -5.053 2.444 0.746
322 H TYR 24 H TYR 24 -5.107 2.799 0.705
323 HA TYR 24 HA TYR 24 -7.175 3.007 -1.219
324 HA TYR 24 HA TYR 24 -7.399 3.376 -1.057
325 HB2 TYR 24 HB2 TYR 24 -7.535 2.406 1.725
326 HB2 TYR 24 HB2 TYR 24 -7.673 2.509 1.817
327 HB3 TYR 24 HB3 TYR 24 -8.819 2.703 0.556
328 HB3 TYR 24 HB3 TYR 24 -8.923 2.588 0.580
329 HD1 TYR 24 HD1 TYR 24 -6.902 0.222 2.182
330 HD1 TYR 24 HD1 TYR 24 -6.544 0.506 2.221
331 HD2 TYR 24 HD2 TYR 24 -8.884 1.068 -1.487
332 HD2 TYR 24 HD2 TYR 24 -8.695 0.981 -1.419
333 HE1 TYR 24 HE1 TYR 24 -6.995 -2.183 1.685
334 HE1 TYR 24 HE1 TYR 24 -6.160 -1.865 1.692
335 HE2 TYR 24 HE2 TYR 24 -8.985 -1.336 -1.994
336 HE2 TYR 24 HE2 TYR 24 -8.318 -1.388 -1.958
337 HH TYR 24 HH TYR 24 -8.131 -3.376 -1.414
338 HH TYR 24 HH TYR 24 -6.609 -3.535 0.293
339 H PHE 25 H PHE 25 -8.519 4.885 -0.735
340 H PHE 25 H PHE 25 -8.240 5.363 -0.919
341 HA PHE 25 HA PHE 25 -7.202 6.896 0.953
342 HA PHE 25 HA PHE 25 -7.458 7.050 1.365
343 HB2 PHE 25 HB2 PHE 25 -6.443 7.450 -1.241
344 HB2 PHE 25 HB2 PHE 25 -6.122 7.794 -0.473
345 HB3 PHE 25 HB3 PHE 25 -8.048 7.217 -1.927
346 HB3 PHE 25 HB3 PHE 25 -7.501 7.768 -1.566
347 HD1 PHE 25 HD1 PHE 25 -9.779 8.896 -1.641
348 HD1 PHE 25 HD1 PHE 25 -8.716 9.700 -1.944
349 HD2 PHE 25 HD2 PHE 25 -5.863 9.473 -0.078
350 HD2 PHE 25 HD2 PHE 25 -6.241 9.434 1.507
351 HE1 PHE 25 HE1 PHE 25 -10.254 11.292 -1.346
352 HE1 PHE 25 HE1 PHE 25 -9.151 12.071 -1.454
353 HE2 PHE 25 HE2 PHE 25 -6.331 11.869 0.220
354 HE2 PHE 25 HE2 PHE 25 -6.673 11.805 2.004
355 HZ PHE 25 HZ PHE 25 -8.530 12.783 -0.413
356 HZ PHE 25 HZ PHE 25 -8.130 13.126 0.523
357 H ASN 26 H ASN 26 -8.554 8.205 2.079
358 H ASN 26 H ASN 26 -8.991 8.449 2.161
359 HA ASN 26 HA ASN 26 -11.421 7.640 1.831
360 HA ASN 26 HA ASN 26 -11.716 8.023 1.153
361 HB2 ASN 26 HB2 ASN 26 -10.274 7.282 4.037
362 HB2 ASN 26 HB2 ASN 26 -11.066 7.487 3.581
363 HB3 ASN 26 HB3 ASN 26 -9.989 9.019 4.107
364 HB3 ASN 26 HB3 ASN 26 -11.006 9.230 3.821
365 HD21 ASN 26 HD21 ASN 26 -12.393 6.501 4.186
366 HD21 ASN 26 HD21 ASN 26 -12.773 7.200 4.978
367 HD22 ASN 26 HD22 ASN 26 -13.661 7.459 4.864
368 HD22 ASN 26 HD22 ASN 26 -14.381 7.708 4.604
369 H HIS 27 H HIS 27 -12.496 9.042 0.609
370 H HIS 27 H HIS 27 -12.754 9.624 0.165
371 HA HIS 27 HA HIS 27 -11.589 11.805 0.407
372 HA HIS 27 HA HIS 27 -11.509 12.213 -0.082
373 HB2 HIS 27 HB2 HIS 27 -13.051 12.001 -1.479
374 HB2 HIS 27 HB2 HIS 27 -13.499 12.695 -1.551
375 HB3 HIS 27 HB3 HIS 27 -12.212 10.460 -1.628
376 HB3 HIS 27 HB3 HIS 27 -12.516 11.326 -2.062
377 HD1 HIS 27 HD1 HIS 27 -14.908 11.001 -3.052
378 HD1 HIS 27 HD1 HIS 27 -15.840 12.134 -0.489
379 HD2 HIS 27 HD2 HIS 27 -14.523 9.128 0.637
380 HD2 HIS 27 HD2 HIS 27 -13.822 8.893 -2.126
381 HE1 HIS 27 HE1 HIS 27 -16.993 9.624 -2.776
382 HE1 HIS 27 HE1 HIS 27 -17.560 10.311 -0.702
383 H ILE 28 H ILE 28 -12.695 10.971 2.903
384 H ILE 28 H ILE 28 -13.824 10.783 1.964
385 HA ILE 28 HA ILE 28 -15.095 12.677 2.975
386 HA ILE 28 HA ILE 28 -15.194 13.255 2.600
387 HB ILE 28 HB ILE 28 -14.598 10.178 4.598
388 HB ILE 28 HB ILE 28 -15.384 10.521 3.867
389 HG12 ILE 28 HG12 ILE 28 -15.366 9.740 2.313
390 HG12 ILE 28 HG12 ILE 28 -17.185 11.980 1.921
391 HG13 ILE 28 HG13 ILE 28 -16.623 9.348 3.480
392 HG13 ILE 28 HG13 ILE 28 -16.211 10.555 1.575
393 HG21 ILE 28 HG21 ILE 28 -16.169 12.504 5.182
394 HG21 ILE 28 HG21 ILE 28 -17.403 11.376 4.963
395 HG22 ILE 28 HG22 ILE 28 -17.220 11.105 4.972
396 HG22 ILE 28 HG22 ILE 28 -15.962 12.259 5.464
397 HG23 ILE 28 HG23 ILE 28 -15.913 11.057 6.156
398 HG23 ILE 28 HG23 ILE 28 -17.077 12.978 4.302
399 HD11 ILE 28 HD11 ILE 28 -16.539 11.452 1.413
400 HD11 ILE 28 HD11 ILE 28 -18.513 9.928 1.863
401 HD12 ILE 28 HD12 ILE 28 -17.886 10.469 1.985
402 HD12 ILE 28 HD12 ILE 28 -17.557 9.284 3.200
403 HD13 ILE 28 HD13 ILE 28 -17.337 11.851 2.933
404 HD13 ILE 28 HD13 ILE 28 -18.566 10.712 3.441
405 H THR 29 H THR 29 -12.393 11.356 4.863
406 H THR 29 H THR 29 -12.977 11.006 4.226
407 HA THR 29 HA THR 29 -12.456 13.805 6.505
408 HA THR 29 HA THR 29 -12.645 12.878 6.437
409 HB THR 29 HB THR 29 -10.947 11.655 7.722
410 HB THR 29 HB THR 29 -10.933 10.937 7.092
411 HG1 THR 29 HG1 THR 29 -12.444 10.111 7.828
412 HG1 THR 29 HG1 THR 29 -11.967 8.927 6.348
413 HG21 THR 29 HG21 THR 29 -12.723 12.127 9.537
414 HG21 THR 29 HG21 THR 29 -13.911 10.514 7.328
415 HG22 THR 29 HG22 THR 29 -13.247 13.432 8.471
416 HG22 THR 29 HG22 THR 29 -13.016 11.694 8.288
417 HG23 THR 29 HG23 THR 29 -11.602 13.417 9.106
418 HG23 THR 29 HG23 THR 29 -12.651 9.975 8.440
419 H ASN 30 H ASN 30 -11.063 13.320 3.948
420 H ASN 30 H ASN 30 -11.104 11.991 3.511
421 HA ASN 30 HA ASN 30 -9.009 13.550 2.977
422 HA ASN 30 HA ASN 30 -9.210 12.715 2.480
423 HB2 ASN 30 HB2 ASN 30 -8.936 15.332 5.387
424 HB2 ASN 30 HB2 ASN 30 -10.106 14.923 3.513
425 HB3 ASN 30 HB3 ASN 30 -7.494 15.167 4.387
426 HB3 ASN 30 HB3 ASN 30 -8.790 14.730 4.669
427 HD21 ASN 30 HD21 ASN 30 -7.711 15.662 2.104
428 HD21 ASN 30 HD21 ASN 30 -6.632 14.200 3.565
429 HD22 ASN 30 HD22 ASN 30 -8.839 16.871 1.610
430 HD22 ASN 30 HD22 ASN 30 -6.237 15.181 2.199
431 H ALA 31 H ALA 31 -9.313 11.215 4.635
432 H ALA 31 H ALA 31 -8.630 10.508 3.569
433 HA ALA 31 HA ALA 31 -6.652 10.897 5.827
434 HA ALA 31 HA ALA 31 -5.967 10.842 4.654
435 HB1 ALA 31 HB1 ALA 31 -7.959 9.984 7.411
436 HB1 ALA 31 HB1 ALA 31 -7.867 9.112 6.210
437 HB2 ALA 31 HB2 ALA 31 -9.284 9.675 6.287
438 HB2 ALA 31 HB2 ALA 31 -6.257 9.671 6.666
439 HB3 ALA 31 HB3 ALA 31 -7.917 8.563 6.365
440 HB3 ALA 31 HB3 ALA 31 -7.602 10.809 6.611
441 H SER 32 H SER 32 -5.391 9.002 5.346
442 H SER 32 H SER 32 -4.735 8.849 4.651
443 HA SER 32 HA SER 32 -6.055 7.376 3.070
444 HA SER 32 HA SER 32 -5.873 6.815 2.846
445 HB2 SER 32 HB2 SER 32 -5.069 9.699 2.273
446 HB2 SER 32 HB2 SER 32 -3.999 8.391 1.960
447 HB3 SER 32 HB3 SER 32 -3.534 8.941 2.695
448 HB3 SER 32 HB3 SER 32 -2.929 7.407 2.959
449 HG SER 32 HG SER 32 -4.341 7.133 1.336
450 HG SER 32 HG SER 32 -2.954 6.416 1.010
451 H GLN 33 H GLN 33 -5.592 5.516 4.093
452 H GLN 33 H GLN 33 -5.204 4.651 3.157
453 HA GLN 33 HA GLN 33 -2.861 5.202 5.156
454 HA GLN 33 HA GLN 33 -3.591 3.996 5.472
455 HB2 GLN 33 HB2 GLN 33 -3.764 3.596 6.790
456 HB2 GLN 33 HB2 GLN 33 -5.894 4.349 6.370
457 HB3 GLN 33 HB3 GLN 33 -4.450 5.202 6.997
458 HB3 GLN 33 HB3 GLN 33 -6.459 3.057 5.320
459 HG2 GLN 33 HG2 GLN 33 -6.529 4.560 6.304
460 HG2 GLN 33 HG2 GLN 33 -4.994 1.479 6.466
461 HG3 GLN 33 HG3 GLN 33 -5.913 3.243 5.309
462 HG3 GLN 33 HG3 GLN 33 -4.420 2.772 7.516
463 HE21 GLN 33 HE21 GLN 33 -8.035 2.753 6.872
464 HE21 GLN 33 HE21 GLN 33 -6.613 4.089 8.240
465 HE22 GLN 33 HE22 GLN 33 -7.597 1.754 8.211
466 HE22 GLN 33 HE22 GLN 33 -7.713 3.062 9.088
467 H PHE 34 H PHE 34 -1.988 3.027 5.033
468 H PHE 34 H PHE 34 -2.535 2.110 5.216
469 HA PHE 34 HA PHE 34 -2.690 1.774 2.518
470 HA PHE 34 HA PHE 34 -2.842 0.722 2.707
471 HB2 PHE 34 HB2 PHE 34 -0.548 0.866 4.436
472 HB2 PHE 34 HB2 PHE 34 -0.951 0.295 5.029
473 HB3 PHE 34 HB3 PHE 34 -0.642 0.583 2.701
474 HB3 PHE 34 HB3 PHE 34 -0.894 -0.619 3.524
475 HD1 PHE 34 HD1 PHE 34 -0.128 2.376 1.119
476 HD1 PHE 34 HD1 PHE 34 -1.229 1.304 1.449
477 HD2 PHE 34 HD2 PHE 34 0.310 2.914 5.318
478 HD2 PHE 34 HD2 PHE 34 0.855 1.701 5.139
479 HE1 PHE 34 HE1 PHE 34 1.254 4.373 0.715
480 HE1 PHE 34 HE1 PHE 34 0.203 3.039 0.449
481 HE2 PHE 34 HE2 PHE 34 1.692 4.911 4.922
482 HE2 PHE 34 HE2 PHE 34 2.289 3.436 4.145
483 HZ PHE 34 HZ PHE 34 2.164 5.643 2.620
484 HZ PHE 34 HZ PHE 34 1.963 4.107 1.798
485 H GLU 35 H GLU 35 -3.083 1.186 5.914
486 H GLU 35 H GLU 35 -3.567 0.145 6.082
487 HA GLU 35 HA GLU 35 -3.644 -1.606 5.709
488 HA GLU 35 HA GLU 35 -4.118 -2.639 5.814
489 HB2 GLU 35 HB2 GLU 35 -2.926 -0.236 7.788
490 HB2 GLU 35 HB2 GLU 35 -5.155 -0.745 7.926
491 HB3 GLU 35 HB3 GLU 35 -4.633 0.157 7.932
492 HB3 GLU 35 HB3 GLU 35 -5.041 -2.495 8.042
493 HG2 GLU 35 HG2 GLU 35 -5.231 -2.075 8.317
494 HG2 GLU 35 HG2 GLU 35 -2.464 -1.492 7.424
495 HG3 GLU 35 HG3 GLU 35 -3.675 -2.676 7.750
496 HG3 GLU 35 HG3 GLU 35 -3.121 -0.542 8.755
497 H ARG 36 H ARG 36 -5.538 -2.645 5.399
498 H ARG 36 H ARG 36 -5.943 -3.672 5.253
499 HA ARG 36 HA ARG 36 -7.735 -1.165 4.308
500 HA ARG 36 HA ARG 36 -7.918 -2.489 3.739
501 HB2 ARG 36 HB2 ARG 36 -7.080 -3.380 3.442
502 HB2 ARG 36 HB2 ARG 36 -7.519 -4.900 3.759
503 HB3 ARG 36 HB3 ARG 36 -7.526 -4.105 4.981
504 HB3 ARG 36 HB3 ARG 36 -8.125 -4.999 5.408
505 HG2 ARG 36 HG2 ARG 36 -9.816 -2.804 4.333
506 HG2 ARG 36 HG2 ARG 36 -10.305 -4.045 4.462
507 HG3 ARG 36 HG3 ARG 36 -9.205 -3.249 2.738
508 HG3 ARG 36 HG3 ARG 36 -9.642 -4.470 2.882
509 HD2 ARG 36 HD2 ARG 36 -10.327 -5.164 3.194
510 HD2 ARG 36 HD2 ARG 36 -9.818 -6.709 3.258
511 HD3 ARG 36 HD3 ARG 36 -8.812 -5.568 4.001
512 HD3 ARG 36 HD3 ARG 36 -9.561 -6.546 4.995
513 HE ARG 36 HE ARG 36 -10.220 -4.378 5.961
514 HE ARG 36 HE ARG 36 -12.072 -5.482 4.067
515 HH11 ARG 36 HH11 ARG 36 -10.991 -6.928 3.720
516 HH11 ARG 36 HH11 ARG 36 -10.386 -8.305 5.211
517 HH12 ARG 36 HH12 ARG 36 -12.086 -7.725 4.801
518 HH12 ARG 36 HH12 ARG 36 -11.824 -9.099 5.764
519 HH21 ARG 36 HH21 ARG 36 -11.659 -5.418 7.393
520 HH21 ARG 36 HH21 ARG 36 -13.971 -6.517 4.791
521 HH22 ARG 36 HH22 ARG 36 -12.467 -6.864 6.891
522 HH22 ARG 36 HH22 ARG 36 -13.862 -8.081 5.525
523 HA PRO 37 HA PRO 37 -9.626 -0.540 8.316
524 HA PRO 37 HA PRO 37 -10.055 -0.292 7.028
525 HB2 PRO 37 HB2 PRO 37 -11.684 0.967 7.385
526 HB2 PRO 37 HB2 PRO 37 -11.630 1.149 5.352
527 HB3 PRO 37 HB3 PRO 37 -10.054 1.608 7.624
528 HB3 PRO 37 HB3 PRO 37 -9.946 1.569 5.685
529 HG2 PRO 37 HG2 PRO 37 -11.372 0.672 5.102
530 HG2 PRO 37 HG2 PRO 37 -11.106 0.109 3.345
531 HG3 PRO 37 HG3 PRO 37 -10.359 2.104 5.371
532 HG3 PRO 37 HG3 PRO 37 -9.864 1.374 3.370
533 HD2 PRO 37 HD2 PRO 37 -9.405 -0.165 4.242
534 HD2 PRO 37 HD2 PRO 37 -9.260 -1.253 3.123
535 HD3 PRO 37 HD3 PRO 37 -8.399 0.896 5.249
536 HD3 PRO 37 HD3 PRO 37 -8.192 -0.101 3.952
537 H SER 38 H SER 38 -11.808 -0.912 9.226
538 H SER 38 H SER 38 -11.539 -1.422 8.115
539 HA SER 38 HA SER 38 -12.901 -3.374 8.197
540 HA SER 38 HA SER 38 -13.634 -2.851 6.671
541 HB2 SER 38 HB2 SER 38 -14.389 -3.211 10.227
542 HB2 SER 38 HB2 SER 38 -12.323 -3.983 8.484
543 HB3 SER 38 HB3 SER 38 -12.661 -3.215 10.580
544 HB3 SER 38 HB3 SER 38 -13.049 -2.865 9.639
545 HG SER 38 HG SER 38 -14.138 -1.551 11.605
546 HG SER 38 HG SER 38 -14.988 -3.797 9.350
547 H GLY 39 H GLY 39 -14.467 -0.327 9.207
548 H GLY 39 H GLY 39 -15.858 -2.820 7.703
549 HA2 GLY 39 HA2 GLY 39 -15.871 0.914 7.672
550 HA2 GLY 39 HA2 GLY 39 -16.986 -1.028 9.344
551 HA3 GLY 39 HA3 GLY 39 -16.273 -0.608 6.892
552 HA3 GLY 39 HA3 GLY 39 -16.683 -0.043 7.919
Start of MODEL 7
1 H1 SER 5 H SER 5 -13.085 -8.352 -2.437
2 H1 SER 5 H SER 5 -13.136 -8.660 -3.247
3 HA SER 5 HA SER 5 -12.932 -6.079 -2.547
4 HA SER 5 HA SER 5 -12.646 -6.063 -3.649
5 HB2 SER 5 HB2 SER 5 -13.462 -5.096 -4.773
6 HB2 SER 5 HB2 SER 5 -12.923 -7.683 -5.483
7 HB3 SER 5 HB3 SER 5 -12.487 -6.562 -4.887
8 HB3 SER 5 HB3 SER 5 -14.671 -7.652 -5.246
9 HG SER 5 HG SER 5 -15.310 -6.561 -5.114
10 HG SER 5 HG SER 5 -13.395 -5.208 -5.637
11 H LYS 6 H LYS 6 -14.307 -5.485 -0.887
12 H LYS 6 H LYS 6 -14.307 -6.154 -1.350
13 HA LYS 6 HA LYS 6 -16.832 -4.295 -1.761
14 HA LYS 6 HA LYS 6 -16.435 -4.304 -2.192
15 HB2 LYS 6 HB2 LYS 6 -16.528 -6.252 0.514
16 HB2 LYS 6 HB2 LYS 6 -16.678 -6.200 0.143
17 HB3 LYS 6 HB3 LYS 6 -17.898 -5.159 0.378
18 HB3 LYS 6 HB3 LYS 6 -17.937 -5.192 -0.557
19 HG2 LYS 6 HG2 LYS 6 -18.688 -6.207 -1.559
20 HG2 LYS 6 HG2 LYS 6 -17.829 -6.527 -2.621
21 HG3 LYS 6 HG3 LYS 6 -17.154 -7.034 -1.841
22 HG3 LYS 6 HG3 LYS 6 -16.621 -7.565 -1.861
23 HD2 LYS 6 HD2 LYS 6 -17.777 -8.002 0.597
24 HD2 LYS 6 HD2 LYS 6 -19.294 -7.100 -0.582
25 HD3 LYS 6 HD3 LYS 6 -19.397 -7.739 -0.052
26 HD3 LYS 6 HD3 LYS 6 -19.082 -8.324 -1.835
27 HE2 LYS 6 HE2 LYS 6 -18.858 -9.936 -0.666
28 HE2 LYS 6 HE2 LYS 6 -17.026 -8.986 -0.284
29 HE3 LYS 6 HE3 LYS 6 -18.586 -8.985 -2.125
30 HE3 LYS 6 HE3 LYS 6 -18.044 -8.238 0.945
31 HZ1 LYS 6 HZ1 LYS 6 -16.181 -8.872 -1.316
32 HZ1 LYS 6 HZ1 LYS 6 -19.743 -9.782 0.569
33 HZ2 LYS 6 HZ2 LYS 6 -16.722 -10.336 -1.968
34 HZ2 LYS 6 HZ2 LYS 6 -18.328 -10.708 0.578
35 HZ3 LYS 6 HZ3 LYS 6 -16.589 -10.155 -0.291
36 HZ3 LYS 6 HZ3 LYS 6 -19.073 -10.318 -0.890
37 H LEU 7 H LEU 7 -14.644 -2.809 -1.388
38 H LEU 7 H LEU 7 -16.448 -2.392 -1.180
39 HA LEU 7 HA LEU 7 -13.926 -1.916 1.106
40 HA LEU 7 HA LEU 7 -15.046 -2.129 1.383
41 HB2 LEU 7 HB2 LEU 7 -13.916 -0.829 -1.599
42 HB2 LEU 7 HB2 LEU 7 -14.725 -0.153 -0.863
43 HB3 LEU 7 HB3 LEU 7 -14.024 0.413 -0.353
44 HB3 LEU 7 HB3 LEU 7 -13.879 -0.171 0.682
45 HG LEU 7 HG LEU 7 -11.929 -0.131 0.536
46 HG LEU 7 HG LEU 7 -13.460 -2.584 -0.918
47 HD11 LEU 7 HD11 LEU 7 -12.378 -2.754 -0.787
48 HD11 LEU 7 HD11 LEU 7 -11.866 -1.428 -2.453
49 HD12 LEU 7 HD12 LEU 7 -11.804 -2.390 0.839
50 HD12 LEU 7 HD12 LEU 7 -12.583 0.104 -1.957
51 HD13 LEU 7 HD13 LEU 7 -10.720 -2.208 -0.539
52 HD13 LEU 7 HD13 LEU 7 -13.567 -1.102 -2.787
53 HD21 LEU 7 HD21 LEU 7 -10.404 -0.108 -1.396
54 HD21 LEU 7 HD21 LEU 7 -11.186 -2.255 -0.221
55 HD22 LEU 7 HD22 LEU 7 -11.733 1.038 -1.575
56 HD22 LEU 7 HD22 LEU 7 -12.246 -1.969 1.158
57 HD23 LEU 7 HD23 LEU 7 -11.762 -0.491 -2.454
58 HD23 LEU 7 HD23 LEU 7 -11.535 -0.606 0.294
59 HA PRO 8 HA PRO 8 -17.444 0.001 2.915
60 HA PRO 8 HA PRO 8 -18.544 0.242 2.589
61 HB2 PRO 8 HB2 PRO 8 -16.222 1.840 4.496
62 HB2 PRO 8 HB2 PRO 8 -17.425 1.831 4.484
63 HB3 PRO 8 HB3 PRO 8 -16.215 0.110 4.855
64 HB3 PRO 8 HB3 PRO 8 -17.729 0.108 4.733
65 HG2 PRO 8 HG2 PRO 8 -14.093 1.786 3.571
66 HG2 PRO 8 HG2 PRO 8 -15.182 1.493 3.990
67 HG3 PRO 8 HG3 PRO 8 -13.928 0.522 4.803
68 HG3 PRO 8 HG3 PRO 8 -15.444 0.181 5.152
69 HD2 PRO 8 HD2 PRO 8 -13.412 0.079 2.184
70 HD2 PRO 8 HD2 PRO 8 -14.476 -0.250 2.660
71 HD3 PRO 8 HD3 PRO 8 -14.058 -1.180 3.255
72 HD3 PRO 8 HD3 PRO 8 -15.493 -1.434 3.508
73 HA PRO 9 HA PRO 9 -18.541 3.719 0.841
74 HA PRO 9 HA PRO 9 -18.689 4.157 0.594
75 HB2 PRO 9 HB2 PRO 9 -19.971 5.061 2.719
76 HB2 PRO 9 HB2 PRO 9 -20.212 5.651 2.271
77 HB3 PRO 9 HB3 PRO 9 -20.575 3.613 1.903
78 HB3 PRO 9 HB3 PRO 9 -20.872 4.343 1.285
79 HG2 PRO 9 HG2 PRO 9 -19.324 3.880 4.610
80 HG2 PRO 9 HG2 PRO 9 -20.098 4.329 4.175
81 HG3 PRO 9 HG3 PRO 9 -20.737 2.928 4.118
82 HG3 PRO 9 HG3 PRO 9 -21.529 3.628 3.396
83 HD2 PRO 9 HD2 PRO 9 -18.288 1.826 4.467
84 HD2 PRO 9 HD2 PRO 9 -19.375 2.144 4.097
85 HD3 PRO 9 HD3 PRO 9 -19.447 1.219 3.268
86 HD3 PRO 9 HD3 PRO 9 -20.380 1.760 2.685
87 H GLY 10 H GLY 10 -17.632 5.646 0.377
88 H GLY 10 H GLY 10 -17.149 5.650 0.378
89 HA2 GLY 10 HA2 GLY 10 -16.767 7.792 0.947
90 HA2 GLY 10 HA2 GLY 10 -16.081 7.660 1.121
91 HA3 GLY 10 HA3 GLY 10 -16.332 7.161 2.528
92 HA3 GLY 10 HA3 GLY 10 -16.219 7.081 2.773
93 H TRP 11 H TRP 11 -15.119 4.737 1.389
94 H TRP 11 H TRP 11 -15.093 5.106 0.104
95 HA TRP 11 HA TRP 11 -12.543 5.927 0.722
96 HA TRP 11 HA TRP 11 -12.315 5.442 0.915
97 HB2 TRP 11 HB2 TRP 11 -13.348 3.111 1.475
98 HB2 TRP 11 HB2 TRP 11 -13.801 2.816 1.085
99 HB3 TRP 11 HB3 TRP 11 -11.704 3.575 1.045
100 HB3 TRP 11 HB3 TRP 11 -12.043 2.936 1.072
101 HD1 TRP 11 HD1 TRP 11 -14.206 3.732 3.885
102 HD1 TRP 11 HD1 TRP 11 -15.071 3.567 3.302
103 HE1 TRP 11 HE1 TRP 11 -13.043 4.668 5.984
104 HE1 TRP 11 HE1 TRP 11 -14.258 3.967 5.711
105 HE3 TRP 11 HE3 TRP 11 -9.795 5.224 1.773
106 HE3 TRP 11 HE3 TRP 11 -10.040 3.815 2.430
107 HZ2 TRP 11 HZ2 TRP 11 -10.584 5.879 6.654
108 HZ2 TRP 11 HZ2 TRP 11 -11.809 4.338 7.064
109 HZ3 TRP 11 HZ3 TRP 11 -8.090 6.262 3.212
110 HZ3 TRP 11 HZ3 TRP 11 -8.530 4.194 4.336
111 HH2 TRP 11 HH2 TRP 11 -8.478 6.582 5.601
112 HH2 TRP 11 HH2 TRP 11 -9.399 4.451 6.603
113 H GLU 12 H GLU 12 -11.187 4.764 -0.932
114 H GLU 12 H GLU 12 -11.162 5.671 -0.874
115 HA GLU 12 HA GLU 12 -12.638 3.461 -3.073
116 HA GLU 12 HA GLU 12 -12.076 4.299 -3.318
117 HB2 GLU 12 HB2 GLU 12 -12.251 5.056 -4.761
118 HB2 GLU 12 HB2 GLU 12 -11.833 6.989 -2.975
119 HB3 GLU 12 HB3 GLU 12 -12.870 5.981 -3.399
120 HB3 GLU 12 HB3 GLU 12 -10.245 6.593 -3.615
121 HG2 GLU 12 HG2 GLU 12 -11.116 7.309 -3.594
122 HG2 GLU 12 HG2 GLU 12 -12.918 6.366 -4.904
123 HG3 GLU 12 HG3 GLU 12 -10.106 5.965 -3.064
124 HG3 GLU 12 HG3 GLU 12 -11.422 7.057 -5.527
125 H LYS 13 H LYS 13 -11.284 2.423 -4.584
126 H LYS 13 H LYS 13 -10.674 3.039 -4.414
127 HA LYS 13 HA LYS 13 -8.735 1.651 -3.520
128 HA LYS 13 HA LYS 13 -8.117 2.480 -3.142
129 HB2 LYS 13 HB2 LYS 13 -10.429 0.206 -4.832
130 HB2 LYS 13 HB2 LYS 13 -9.532 0.589 -3.744
131 HB3 LYS 13 HB3 LYS 13 -9.732 0.946 -6.267
132 HB3 LYS 13 HB3 LYS 13 -9.558 1.113 -5.423
133 HG2 LYS 13 HG2 LYS 13 -7.517 0.108 -5.596
134 HG2 LYS 13 HG2 LYS 13 -7.043 0.821 -5.406
135 HG3 LYS 13 HG3 LYS 13 -8.264 -0.690 -4.209
136 HG3 LYS 13 HG3 LYS 13 -7.253 -0.008 -3.863
137 HD2 LYS 13 HD2 LYS 13 -9.821 -1.626 -6.209
138 HD2 LYS 13 HD2 LYS 13 -8.931 -0.861 -6.170
139 HD3 LYS 13 HD3 LYS 13 -8.290 -1.425 -7.064
140 HD3 LYS 13 HD3 LYS 13 -7.230 -1.331 -6.151
141 HE2 LYS 13 HE2 LYS 13 -8.636 -2.939 -4.478
142 HE2 LYS 13 HE2 LYS 13 -9.122 -1.813 -3.858
143 HE3 LYS 13 HE3 LYS 13 -8.580 -3.680 -6.077
144 HE3 LYS 13 HE3 LYS 13 -8.813 -2.992 -5.132
145 HZ1 LYS 13 HZ1 LYS 13 -6.439 -2.977 -4.422
146 HZ1 LYS 13 HZ1 LYS 13 -6.476 -2.990 -4.521
147 HZ2 LYS 13 HZ2 LYS 13 -6.355 -2.003 -5.802
148 HZ2 LYS 13 HZ2 LYS 13 -7.438 -3.411 -3.196
149 HZ3 LYS 13 HZ3 LYS 13 -6.384 -3.686 -5.957
150 HZ3 LYS 13 HZ3 LYS 13 -6.772 -1.859 -3.297
151 H ARG 14 H ARG 14 -6.958 2.825 -3.759
152 H ARG 14 H ARG 14 -6.259 3.303 -3.825
153 HA ARG 14 HA ARG 14 -6.567 4.279 -6.294
154 HA ARG 14 HA ARG 14 -6.040 4.168 -6.630
155 HB2 ARG 14 HB2 ARG 14 -6.276 5.144 -3.492
156 HB2 ARG 14 HB2 ARG 14 -4.871 5.621 -4.250
157 HB3 ARG 14 HB3 ARG 14 -4.944 5.596 -4.545
158 HB3 ARG 14 HB3 ARG 14 -4.750 6.108 -5.936
159 HG2 ARG 14 HG2 ARG 14 -7.131 6.268 -6.047
160 HG2 ARG 14 HG2 ARG 14 -7.501 5.748 -5.078
161 HG3 ARG 14 HG3 ARG 14 -7.659 6.640 -4.405
162 HG3 ARG 14 HG3 ARG 14 -6.637 6.955 -4.123
163 HD2 ARG 14 HD2 ARG 14 -6.433 8.490 -4.402
164 HD2 ARG 14 HD2 ARG 14 -6.891 6.891 -7.128
165 HD3 ARG 14 HD3 ARG 14 -4.978 7.550 -4.735
166 HD3 ARG 14 HD3 ARG 14 -7.718 7.995 -6.031
167 HE ARG 14 HE ARG 14 -6.592 8.070 -7.060
168 HE ARG 14 HE ARG 14 -4.931 8.197 -5.658
169 HH11 ARG 14 HH11 ARG 14 -4.059 9.272 -4.996
170 HH11 ARG 14 HH11 ARG 14 -7.423 9.005 -7.951
171 HH12 ARG 14 HH12 ARG 14 -3.374 10.297 -6.215
172 HH12 ARG 14 HH12 ARG 14 -6.570 10.370 -8.594
173 HH21 ARG 14 HH21 ARG 14 -5.699 9.413 -8.672
174 HH21 ARG 14 HH21 ARG 14 -3.799 9.991 -6.493
175 HH22 ARG 14 HH22 ARG 14 -4.308 10.376 -8.304
176 HH22 ARG 14 HH22 ARG 14 -4.510 10.930 -7.763
177 H MET 15 H MET 15 -4.271 4.640 -6.863
178 H MET 15 H MET 15 -3.705 4.474 -7.288
179 HA MET 15 HA MET 15 -2.560 2.435 -5.922
180 HA MET 15 HA MET 15 -1.934 2.579 -5.903
181 HB2 MET 15 HB2 MET 15 -3.624 2.550 -8.410
182 HB2 MET 15 HB2 MET 15 -2.836 1.362 -7.777
183 HB3 MET 15 HB3 MET 15 -2.127 3.433 -8.669
184 HB3 MET 15 HB3 MET 15 -2.493 2.697 -8.868
185 HG2 MET 15 HG2 MET 15 -1.422 1.163 -7.195
186 HG2 MET 15 HG2 MET 15 -0.292 2.188 -9.028
187 HG3 MET 15 HG3 MET 15 -2.562 0.612 -8.422
188 HG3 MET 15 HG3 MET 15 -0.208 1.541 -7.391
189 HE1 MET 15 HE1 MET 15 0.880 -0.412 -9.786
190 HE1 MET 15 HE1 MET 15 0.702 -1.158 -10.367
191 HE2 MET 15 HE2 MET 15 -0.388 -0.800 -8.622
192 HE2 MET 15 HE2 MET 15 0.316 0.473 -10.917
193 HE3 MET 15 HE3 MET 15 -0.763 -0.727 -10.345
194 HE3 MET 15 HE3 MET 15 1.380 0.238 -9.528
195 H SER 16 H SER 16 -0.215 2.982 -7.061
196 H SER 16 H SER 16 0.089 3.290 -5.606
197 HA SER 16 HA SER 16 0.478 5.610 -5.936
198 HA SER 16 HA SER 16 0.796 5.950 -6.046
199 HB2 SER 16 HB2 SER 16 1.823 2.975 -5.976
200 HB2 SER 16 HB2 SER 16 1.841 3.994 -4.540
201 HB3 SER 16 HB3 SER 16 2.874 4.371 -6.209
202 HB3 SER 16 HB3 SER 16 2.991 3.947 -5.876
203 HG SER 16 HG SER 16 2.535 4.972 -4.206
204 HG SER 16 HG SER 16 2.290 6.385 -4.644
205 H ARG 17 H ARG 17 2.459 6.626 -6.976
206 H ARG 17 H ARG 17 2.832 6.620 -7.271
207 HA ARG 17 HA ARG 17 2.303 6.329 -9.904
208 HA ARG 17 HA ARG 17 2.775 5.416 -9.962
209 HB2 ARG 17 HB2 ARG 17 1.266 8.433 -8.959
210 HB2 ARG 17 HB2 ARG 17 3.448 8.296 -9.386
211 HB3 ARG 17 HB3 ARG 17 2.877 8.901 -8.433
212 HB3 ARG 17 HB3 ARG 17 3.052 7.559 -10.933
213 HG2 ARG 17 HG2 ARG 17 3.634 8.807 -10.781
214 HG2 ARG 17 HG2 ARG 17 0.758 7.260 -10.253
215 HG3 ARG 17 HG3 ARG 17 1.977 8.444 -11.269
216 HG3 ARG 17 HG3 ARG 17 1.129 7.869 -8.638
217 HD2 ARG 17 HD2 ARG 17 2.358 10.819 -9.551
218 HD2 ARG 17 HD2 ARG 17 0.047 9.536 -10.148
219 HD3 ARG 17 HD3 ARG 17 2.990 10.929 -11.193
220 HD3 ARG 17 HD3 ARG 17 1.600 10.048 -9.492
221 HE ARG 17 HE ARG 17 0.222 10.856 -10.397
222 HE ARG 17 HE ARG 17 2.003 8.821 -11.989
223 HH11 ARG 17 HH11 ARG 17 2.496 10.342 -12.983
224 HH11 ARG 17 HH11 ARG 17 0.663 11.716 -10.596
225 HH12 ARG 17 HH12 ARG 17 1.319 10.559 -14.236
226 HH12 ARG 17 HH12 ARG 17 0.978 12.691 -11.993
227 HH21 ARG 17 HH21 ARG 17 -1.335 11.144 -12.037
228 HH21 ARG 17 HH21 ARG 17 2.424 10.094 -13.835
229 HH22 ARG 17 HH22 ARG 17 -0.860 11.018 -13.697
230 HH22 ARG 17 HH22 ARG 17 1.978 11.766 -13.836
231 H ASN 18 H ASN 18 4.327 6.956 -7.109
232 H ASN 18 H ASN 18 4.705 6.536 -7.318
233 HA ASN 18 HA ASN 18 6.706 6.597 -8.811
234 HA ASN 18 HA ASN 18 7.194 6.525 -8.758
235 HB2 ASN 18 HB2 ASN 18 6.246 8.807 -7.403
236 HB2 ASN 18 HB2 ASN 18 6.568 7.867 -6.617
237 HB3 ASN 18 HB3 ASN 18 6.943 7.837 -6.111
238 HB3 ASN 18 HB3 ASN 18 6.981 6.381 -5.767
239 HD21 ASN 18 HD21 ASN 18 8.921 6.485 -7.147
240 HD21 ASN 18 HD21 ASN 18 9.139 5.421 -6.551
241 HD22 ASN 18 HD22 ASN 18 10.099 7.507 -7.887
242 HD22 ASN 18 HD22 ASN 18 10.444 6.547 -6.680
243 H SER 19 H SER 19 5.430 4.339 -8.029
244 H SER 19 H SER 19 5.712 4.441 -6.282
245 HA SER 19 HA SER 19 7.438 2.927 -6.643
246 HA SER 19 HA SER 19 7.671 2.355 -6.951
247 HB2 SER 19 HB2 SER 19 5.459 4.171 -4.972
248 HB2 SER 19 HB2 SER 19 6.963 1.298 -4.816
249 HB3 SER 19 HB3 SER 19 5.287 2.420 -4.875
250 HB3 SER 19 HB3 SER 19 7.597 2.926 -4.584
251 HG SER 19 HG SER 19 7.497 2.301 -4.341
252 HG SER 19 HG SER 19 5.501 3.682 -4.369
253 H GLY 20 H GLY 20 3.888 2.599 -6.561
254 H GLY 20 H GLY 20 4.243 2.476 -5.948
255 HA2 GLY 20 HA2 GLY 20 3.017 1.191 -8.515
256 HA2 GLY 20 HA2 GLY 20 2.634 1.652 -7.694
257 HA3 GLY 20 HA3 GLY 20 4.204 0.022 -7.958
258 HA3 GLY 20 HA3 GLY 20 3.733 0.294 -7.875
259 H ARG 21 H ARG 21 3.738 0.662 -5.130
260 H ARG 21 H ARG 21 2.980 1.723 -4.772
261 HA ARG 21 HA ARG 21 1.858 -1.287 -4.512
262 HA ARG 21 HA ARG 21 1.895 -0.836 -3.899
263 HB2 ARG 21 HB2 ARG 21 2.588 1.044 -2.736
264 HB2 ARG 21 HB2 ARG 21 3.200 1.458 -2.619
265 HB3 ARG 21 HB3 ARG 21 2.015 -0.540 -2.232
266 HB3 ARG 21 HB3 ARG 21 1.845 0.814 -1.702
267 HG2 ARG 21 HG2 ARG 21 4.089 -1.301 -2.140
268 HG2 ARG 21 HG2 ARG 21 2.966 -1.025 -1.111
269 HG3 ARG 21 HG3 ARG 21 4.363 -0.857 -3.826
270 HG3 ARG 21 HG3 ARG 21 3.652 -1.239 -2.723
271 HD2 ARG 21 HD2 ARG 21 5.955 0.199 -2.236
272 HD2 ARG 21 HD2 ARG 21 5.304 -0.774 -0.873
273 HD3 ARG 21 HD3 ARG 21 5.035 1.355 -3.198
274 HD3 ARG 21 HD3 ARG 21 5.406 0.282 -2.280
275 HE ARG 21 HE ARG 21 4.044 2.123 -1.278
276 HE ARG 21 HE ARG 21 4.852 2.049 -0.941
277 HH11 ARG 21 HH11 ARG 21 5.644 -0.899 -0.624
278 HH11 ARG 21 HH11 ARG 21 4.005 -0.911 0.684
279 HH12 ARG 21 HH12 ARG 21 5.428 -0.792 1.092
280 HH12 ARG 21 HH12 ARG 21 3.590 -0.126 2.174
281 HH21 ARG 21 HH21 ARG 21 3.754 2.275 0.980
282 HH21 ARG 21 HH21 ARG 21 4.308 3.092 1.013
283 HH22 ARG 21 HH22 ARG 21 4.351 1.013 2.002
284 HH22 ARG 21 HH22 ARG 21 3.761 2.150 2.359
285 H VAL 22 H VAL 22 -0.031 -0.643 -2.870
286 H VAL 22 H VAL 22 -0.205 -1.218 -3.659
287 HA VAL 22 HA VAL 22 -1.633 1.495 -4.103
288 HA VAL 22 HA VAL 22 -2.143 0.782 -4.296
289 HB VAL 22 HB VAL 22 -3.647 -0.036 -3.715
290 HB VAL 22 HB VAL 22 -2.505 -2.026 -3.242
291 HG11 VAL 22 HG11 VAL 22 -3.121 0.439 -5.937
292 HG11 VAL 22 HG11 VAL 22 -4.831 -1.810 -3.994
293 HG12 VAL 22 HG12 VAL 22 -1.594 -0.442 -5.863
294 HG12 VAL 22 HG12 VAL 22 -4.446 -0.655 -2.719
295 HG13 VAL 22 HG13 VAL 22 -3.123 -1.323 -5.878
296 HG13 VAL 22 HG13 VAL 22 -4.537 -0.119 -4.398
297 HG21 VAL 22 HG21 VAL 22 -3.332 -2.359 -3.557
298 HG21 VAL 22 HG21 VAL 22 -1.688 -1.091 -5.759
299 HG22 VAL 22 HG22 VAL 22 -1.610 -2.236 -3.915
300 HG22 VAL 22 HG22 VAL 22 -2.172 -2.731 -5.323
301 HG23 VAL 22 HG23 VAL 22 -2.231 -1.670 -2.364
302 HG23 VAL 22 HG23 VAL 22 -3.368 -1.594 -5.944
303 H TYR 23 H TYR 23 -3.554 2.075 -2.740
304 H TYR 23 H TYR 23 -3.512 1.892 -2.987
305 HA TYR 23 HA TYR 23 -3.441 1.435 0.063
306 HA TYR 23 HA TYR 23 -3.596 1.306 -0.136
307 HB2 TYR 23 HB2 TYR 23 -3.202 3.929 0.662
308 HB2 TYR 23 HB2 TYR 23 -3.003 3.573 0.526
309 HB3 TYR 23 HB3 TYR 23 -1.742 3.045 0.227
310 HB3 TYR 23 HB3 TYR 23 -1.690 2.856 -0.401
311 HD1 TYR 23 HD1 TYR 23 -4.016 5.727 -0.692
312 HD1 TYR 23 HD1 TYR 23 -4.399 5.344 -0.461
313 HD2 TYR 23 HD2 TYR 23 -0.690 3.406 -1.982
314 HD2 TYR 23 HD2 TYR 23 -1.048 3.745 -2.539
315 HE1 TYR 23 HE1 TYR 23 -3.534 7.394 -2.434
316 HE1 TYR 23 HE1 TYR 23 -4.432 7.273 -1.988
317 HE2 TYR 23 HE2 TYR 23 -0.199 5.069 -3.726
318 HE2 TYR 23 HE2 TYR 23 -1.071 5.669 -4.070
319 HH TYR 23 HH TYR 23 -1.228 6.818 -4.943
320 HH TYR 23 HH TYR 23 -3.589 8.153 -3.863
321 H TYR 24 H TYR 24 -4.947 3.274 1.210
322 H TYR 24 H TYR 24 -5.082 3.062 0.947
323 HA TYR 24 HA TYR 24 -7.358 3.452 -0.475
324 HA TYR 24 HA TYR 24 -7.347 3.579 -0.866
325 HB2 TYR 24 HB2 TYR 24 -7.321 3.107 2.526
326 HB2 TYR 24 HB2 TYR 24 -7.571 2.783 2.041
327 HB3 TYR 24 HB3 TYR 24 -8.719 3.024 1.457
328 HB3 TYR 24 HB3 TYR 24 -8.890 2.992 0.893
329 HD1 TYR 24 HD1 TYR 24 -5.604 1.293 2.446
330 HD1 TYR 24 HD1 TYR 24 -6.041 0.844 1.830
331 HD2 TYR 24 HD2 TYR 24 -9.294 1.006 0.347
332 HD2 TYR 24 HD2 TYR 24 -9.488 1.252 -0.629
333 HE1 TYR 24 HE1 TYR 24 -5.288 -1.137 2.234
334 HE1 TYR 24 HE1 TYR 24 -5.895 -1.539 1.243
335 HE2 TYR 24 HE2 TYR 24 -8.989 -1.424 0.131
336 HE2 TYR 24 HE2 TYR 24 -9.352 -1.130 -1.224
337 HH TYR 24 HH TYR 24 -7.734 -3.177 0.661
338 HH TYR 24 HH TYR 24 -6.971 -3.264 0.273
339 H PHE 25 H PHE 25 -8.576 5.312 -0.385
340 H PHE 25 H PHE 25 -8.325 5.534 -0.724
341 HA PHE 25 HA PHE 25 -7.694 7.467 1.385
342 HA PHE 25 HA PHE 25 -7.340 7.383 1.348
343 HB2 PHE 25 HB2 PHE 25 -6.485 7.689 -0.797
344 HB2 PHE 25 HB2 PHE 25 -6.305 8.109 -0.654
345 HB3 PHE 25 HB3 PHE 25 -8.047 7.860 -1.591
346 HB3 PHE 25 HB3 PHE 25 -7.770 7.856 -1.596
347 HD1 PHE 25 HD1 PHE 25 -9.556 9.779 -0.800
348 HD1 PHE 25 HD1 PHE 25 -8.871 9.745 -2.260
349 HD2 PHE 25 HD2 PHE 25 -5.390 9.549 0.042
350 HD2 PHE 25 HD2 PHE 25 -6.721 9.804 1.413
351 HE1 PHE 25 HE1 PHE 25 -9.513 12.201 -0.365
352 HE1 PHE 25 HE1 PHE 25 -9.483 12.107 -1.945
353 HE2 PHE 25 HE2 PHE 25 -5.341 11.971 0.477
354 HE2 PHE 25 HE2 PHE 25 -7.331 12.166 1.734
355 HZ PHE 25 HZ PHE 25 -7.404 13.300 0.274
356 HZ PHE 25 HZ PHE 25 -8.715 13.321 0.056
357 H ASN 26 H ASN 26 -9.411 8.253 2.390
358 H ASN 26 H ASN 26 -8.809 8.764 2.278
359 HA ASN 26 HA ASN 26 -12.070 7.760 1.350
360 HA ASN 26 HA ASN 26 -11.630 8.231 1.632
361 HB2 ASN 26 HB2 ASN 26 -11.385 7.515 3.797
362 HB2 ASN 26 HB2 ASN 26 -10.686 7.676 3.958
363 HB3 ASN 26 HB3 ASN 26 -11.374 9.275 3.865
364 HB3 ASN 26 HB3 ASN 26 -10.634 9.417 4.216
365 HD21 ASN 26 HD21 ASN 26 -13.091 7.008 5.008
366 HD21 ASN 26 HD21 ASN 26 -12.207 7.334 5.543
367 HD22 ASN 26 HD22 ASN 26 -14.708 7.550 4.720
368 HD22 ASN 26 HD22 ASN 26 -13.859 7.810 5.369
369 H HIS 27 H HIS 27 -13.361 9.202 0.382
370 H HIS 27 H HIS 27 -12.749 9.809 0.713
371 HA HIS 27 HA HIS 27 -12.287 11.855 -0.158
372 HA HIS 27 HA HIS 27 -11.619 12.447 0.445
373 HB2 HIS 27 HB2 HIS 27 -13.873 12.000 -1.916
374 HB2 HIS 27 HB2 HIS 27 -13.701 12.893 -0.887
375 HB3 HIS 27 HB3 HIS 27 -13.272 10.345 -1.952
376 HB3 HIS 27 HB3 HIS 27 -12.737 11.543 -1.477
377 HD1 HIS 27 HD1 HIS 27 -16.038 11.207 -3.136
378 HD1 HIS 27 HD1 HIS 27 -15.963 12.299 0.301
379 HD2 HIS 27 HD2 HIS 27 -15.452 9.534 0.622
380 HD2 HIS 27 HD2 HIS 27 -14.003 9.082 -1.449
381 HE1 HIS 27 HE1 HIS 27 -18.242 10.167 -2.510
382 HE1 HIS 27 HE1 HIS 27 -17.666 10.451 0.195
383 H ILE 28 H ILE 28 -13.300 11.178 2.506
384 H ILE 28 H ILE 28 -13.786 10.887 2.574
385 HA ILE 28 HA ILE 28 -15.498 13.136 2.666
386 HA ILE 28 HA ILE 28 -15.203 13.276 3.365
387 HB ILE 28 HB ILE 28 -15.007 10.704 4.381
388 HB ILE 28 HB ILE 28 -15.134 10.529 4.619
389 HG12 ILE 28 HG12 ILE 28 -16.214 10.456 2.177
390 HG12 ILE 28 HG12 ILE 28 -17.169 11.887 2.840
391 HG13 ILE 28 HG13 ILE 28 -17.131 9.947 3.591
392 HG13 ILE 28 HG13 ILE 28 -16.137 10.531 2.396
393 HG21 ILE 28 HG21 ILE 28 -17.378 11.810 5.228
394 HG21 ILE 28 HG21 ILE 28 -17.112 11.263 5.873
395 HG22 ILE 28 HG22 ILE 28 -15.834 11.899 6.076
396 HG22 ILE 28 HG22 ILE 28 -15.685 12.215 6.275
397 HG23 ILE 28 HG23 ILE 28 -16.334 13.216 5.013
398 HG23 ILE 28 HG23 ILE 28 -16.918 12.885 5.210
399 HD11 ILE 28 HD11 ILE 28 -17.938 11.707 1.598
400 HD11 ILE 28 HD11 ILE 28 -18.179 9.541 2.841
401 HD12 ILE 28 HD12 ILE 28 -18.753 11.379 3.128
402 HD12 ILE 28 HD12 ILE 28 -17.289 9.312 4.347
403 HD13 ILE 28 HD13 ILE 28 -17.615 12.722 3.004
404 HD13 ILE 28 HD13 ILE 28 -18.501 10.588 4.222
405 H THR 29 H THR 29 -12.587 11.865 4.205
406 H THR 29 H THR 29 -12.718 11.166 4.776
407 HA THR 29 HA THR 29 -12.328 14.422 5.646
408 HA THR 29 HA THR 29 -12.333 13.037 6.980
409 HB THR 29 HB THR 29 -11.413 13.356 7.556
410 HB THR 29 HB THR 29 -10.444 11.199 7.452
411 HG1 THR 29 HG1 THR 29 -11.295 11.067 5.887
412 HG1 THR 29 HG1 THR 29 -11.635 9.144 6.804
413 HG21 THR 29 HG21 THR 29 -13.759 11.720 6.586
414 HG21 THR 29 HG21 THR 29 -13.235 10.323 8.023
415 HG22 THR 29 HG22 THR 29 -13.839 13.241 7.475
416 HG22 THR 29 HG22 THR 29 -12.690 11.872 8.666
417 HG23 THR 29 HG23 THR 29 -13.193 11.797 8.254
418 HG23 THR 29 HG23 THR 29 -11.834 10.390 9.089
419 H ASN 30 H ASN 30 -11.258 13.482 3.039
420 H ASN 30 H ASN 30 -10.992 12.297 3.923
421 HA ASN 30 HA ASN 30 -9.271 13.254 1.900
422 HA ASN 30 HA ASN 30 -9.256 13.177 2.748
423 HB2 ASN 30 HB2 ASN 30 -7.634 15.144 2.704
424 HB2 ASN 30 HB2 ASN 30 -10.155 15.269 4.142
425 HB3 ASN 30 HB3 ASN 30 -9.171 15.567 1.957
426 HB3 ASN 30 HB3 ASN 30 -8.564 15.131 4.886
427 HD21 ASN 30 HD21 ASN 30 -10.902 16.230 3.310
428 HD21 ASN 30 HD21 ASN 30 -6.801 14.698 3.118
429 HD22 ASN 30 HD22 ASN 30 -10.590 16.914 4.867
430 HD22 ASN 30 HD22 ASN 30 -6.843 15.806 1.793
431 H ALA 31 H ALA 31 -9.363 11.286 3.803
432 H ALA 31 H ALA 31 -8.606 10.929 3.968
433 HA ALA 31 HA ALA 31 -6.763 11.315 5.151
434 HA ALA 31 HA ALA 31 -5.803 11.318 4.611
435 HB1 ALA 31 HB1 ALA 31 -8.713 9.070 5.410
436 HB1 ALA 31 HB1 ALA 31 -7.501 9.725 6.516
437 HB2 ALA 31 HB2 ALA 31 -7.559 9.700 6.588
438 HB2 ALA 31 HB2 ALA 31 -5.811 10.200 6.695
439 HB3 ALA 31 HB3 ALA 31 -9.031 10.601 6.226
440 HB3 ALA 31 HB3 ALA 31 -7.083 11.418 6.784
441 H SER 32 H SER 32 -5.537 9.210 5.120
442 H SER 32 H SER 32 -4.546 9.405 4.399
443 HA SER 32 HA SER 32 -5.849 7.610 2.719
444 HA SER 32 HA SER 32 -5.944 7.169 3.085
445 HB2 SER 32 HB2 SER 32 -4.313 9.817 2.433
446 HB2 SER 32 HB2 SER 32 -4.748 8.529 1.413
447 HB3 SER 32 HB3 SER 32 -3.103 8.681 3.028
448 HB3 SER 32 HB3 SER 32 -3.248 8.318 2.315
449 HG SER 32 HG SER 32 -3.501 7.359 1.302
450 HG SER 32 HG SER 32 -3.316 6.130 1.864
451 H GLN 33 H GLN 33 -6.113 5.843 4.064
452 H GLN 33 H GLN 33 -5.023 5.096 3.355
453 HA GLN 33 HA GLN 33 -3.975 5.195 5.944
454 HA GLN 33 HA GLN 33 -2.771 4.770 5.145
455 HB2 GLN 33 HB2 GLN 33 -6.157 4.898 6.851
456 HB2 GLN 33 HB2 GLN 33 -4.008 3.397 6.762
457 HB3 GLN 33 HB3 GLN 33 -6.696 4.000 5.439
458 HB3 GLN 33 HB3 GLN 33 -4.606 5.051 6.725
459 HG2 GLN 33 HG2 GLN 33 -5.164 2.180 6.025
460 HG2 GLN 33 HG2 GLN 33 -6.445 4.283 5.237
461 HG3 GLN 33 HG3 GLN 33 -4.667 3.076 7.460
462 HG3 GLN 33 HG3 GLN 33 -5.883 2.630 5.479
463 HE21 GLN 33 HE21 GLN 33 -7.040 1.055 6.043
464 HE21 GLN 33 HE21 GLN 33 -6.422 5.442 7.580
465 HE22 GLN 33 HE22 GLN 33 -8.067 0.909 7.424
466 HE22 GLN 33 HE22 GLN 33 -7.396 4.605 8.735
467 H PHE 34 H PHE 34 -2.779 3.283 5.848
468 H PHE 34 H PHE 34 -1.746 2.831 4.894
469 HA PHE 34 HA PHE 34 -2.417 2.252 3.154
470 HA PHE 34 HA PHE 34 -2.427 1.294 2.580
471 HB2 PHE 34 HB2 PHE 34 -0.774 2.500 5.556
472 HB2 PHE 34 HB2 PHE 34 -0.331 0.687 4.673
473 HB3 PHE 34 HB3 PHE 34 -0.604 0.933 4.773
474 HB3 PHE 34 HB3 PHE 34 -0.406 0.043 3.035
475 HD1 PHE 34 HD1 PHE 34 0.870 3.981 4.993
476 HD1 PHE 34 HD1 PHE 34 1.021 2.497 5.099
477 HD2 PHE 34 HD2 PHE 34 -0.578 1.291 2.028
478 HD2 PHE 34 HD2 PHE 34 -0.378 1.845 1.132
479 HE1 PHE 34 HE1 PHE 34 2.403 4.976 3.347
480 HE1 PHE 34 HE1 PHE 34 2.406 4.367 4.308
481 HE2 PHE 34 HE2 PHE 34 0.956 2.283 0.378
482 HE2 PHE 34 HE2 PHE 34 1.007 3.716 0.333
483 HZ PHE 34 HZ PHE 34 2.449 4.127 1.036
484 HZ PHE 34 HZ PHE 34 2.401 4.979 1.920
485 H GLU 35 H GLU 35 -3.407 1.138 6.339
486 H GLU 35 H GLU 35 -2.786 0.908 6.036
487 HA GLU 35 HA GLU 35 -3.514 -1.626 5.668
488 HA GLU 35 HA GLU 35 -3.482 -1.870 5.924
489 HB2 GLU 35 HB2 GLU 35 -5.159 -0.335 7.828
490 HB2 GLU 35 HB2 GLU 35 -2.518 -0.656 7.931
491 HB3 GLU 35 HB3 GLU 35 -4.489 -1.959 7.785
492 HB3 GLU 35 HB3 GLU 35 -4.106 0.064 8.154
493 HG2 GLU 35 HG2 GLU 35 -2.201 -0.764 7.787
494 HG2 GLU 35 HG2 GLU 35 -5.078 -2.166 8.408
495 HG3 GLU 35 HG3 GLU 35 -3.116 0.632 8.356
496 HG3 GLU 35 HG3 GLU 35 -3.478 -2.880 8.204
497 H ARG 36 H ARG 36 -5.554 -2.900 5.705
498 H ARG 36 H ARG 36 -5.251 -2.432 4.816
499 HA ARG 36 HA ARG 36 -7.399 -1.796 3.788
500 HA ARG 36 HA ARG 36 -7.483 -0.876 4.288
501 HB2 ARG 36 HB2 ARG 36 -6.575 -4.172 3.754
502 HB2 ARG 36 HB2 ARG 36 -6.994 -2.935 3.073
503 HB3 ARG 36 HB3 ARG 36 -7.549 -4.468 5.189
504 HB3 ARG 36 HB3 ARG 36 -7.303 -3.884 4.522
505 HG2 ARG 36 HG2 ARG 36 -9.553 -3.764 3.879
506 HG2 ARG 36 HG2 ARG 36 -9.652 -2.832 4.447
507 HG3 ARG 36 HG3 ARG 36 -8.522 -3.704 2.446
508 HG3 ARG 36 HG3 ARG 36 -9.244 -2.425 2.779
509 HD2 ARG 36 HD2 ARG 36 -8.169 -6.192 3.851
510 HD2 ARG 36 HD2 ARG 36 -9.373 -5.160 4.032
511 HD3 ARG 36 HD3 ARG 36 -9.873 -5.923 3.485
512 HD3 ARG 36 HD3 ARG 36 -10.403 -4.511 2.758
513 HE ARG 36 HE ARG 36 -8.681 -5.375 1.137
514 HE ARG 36 HE ARG 36 -7.847 -4.402 1.759
515 HH11 ARG 36 HH11 ARG 36 -8.409 -8.058 3.340
516 HH11 ARG 36 HH11 ARG 36 -9.964 -6.881 2.978
517 HH12 ARG 36 HH12 ARG 36 -8.043 -9.209 2.098
518 HH12 ARG 36 HH12 ARG 36 -9.291 -8.129 1.983
519 HH21 ARG 36 HH21 ARG 36 -8.200 -6.882 -0.508
520 HH21 ARG 36 HH21 ARG 36 -6.951 -6.036 0.443
521 HH22 ARG 36 HH22 ARG 36 -7.924 -8.540 -0.090
522 HH22 ARG 36 HH22 ARG 36 -7.576 -7.647 0.541
523 HA PRO 37 HA PRO 37 -10.106 -0.260 6.995
524 HA PRO 37 HA PRO 37 -9.591 -0.673 8.161
525 HB2 PRO 37 HB2 PRO 37 -11.931 0.814 5.297
526 HB2 PRO 37 HB2 PRO 37 -12.009 0.137 7.225
527 HB3 PRO 37 HB3 PRO 37 -10.387 1.591 5.667
528 HB3 PRO 37 HB3 PRO 37 -10.608 1.211 7.324
529 HG2 PRO 37 HG2 PRO 37 -11.154 -0.063 3.293
530 HG2 PRO 37 HG2 PRO 37 -11.699 -0.269 4.961
531 HG3 PRO 37 HG3 PRO 37 -10.223 1.445 3.351
532 HG3 PRO 37 HG3 PRO 37 -11.106 1.399 5.062
533 HD2 PRO 37 HD2 PRO 37 -9.050 -0.983 3.102
534 HD2 PRO 37 HD2 PRO 37 -9.606 -0.621 4.062
535 HD3 PRO 37 HD3 PRO 37 -8.278 0.367 3.956
536 HD3 PRO 37 HD3 PRO 37 -8.897 0.757 4.929
537 H SER 38 H SER 38 -11.220 -1.820 8.019
538 H SER 38 H SER 38 -11.536 -1.546 9.227
539 HA SER 38 HA SER 38 -12.636 -3.906 6.794
540 HA SER 38 HA SER 38 -12.118 -4.229 8.218
541 HB2 SER 38 HB2 SER 38 -11.807 -3.806 9.194
542 HB2 SER 38 HB2 SER 38 -12.956 -4.666 10.508
543 HB3 SER 38 HB3 SER 38 -13.217 -2.808 9.550
544 HB3 SER 38 HB3 SER 38 -11.291 -4.087 10.512
545 HG SER 38 HG SER 38 -13.094 -5.513 8.790
546 HG SER 38 HG SER 38 -13.642 -2.631 11.129
547 H GLY 39 H GLY 39 -15.112 -4.105 7.857
548 H GLY 39 H GLY 39 -13.491 -3.001 6.564
549 HA2 GLY 39 HA2 GLY 39 -17.176 -2.816 8.067
550 HA2 GLY 39 HA2 GLY 39 -15.839 -1.668 7.156
551 HA3 GLY 39 HA3 GLY 39 -16.550 -1.740 6.828
552 HA3 GLY 39 HA3 GLY 39 -15.609 -2.672 5.732
Start of MODEL 8
1 H1 SER 5 H SER 5 -16.511 -5.315 -5.137
2 H1 SER 5 H SER 5 -17.764 -4.795 -5.101
3 HA SER 5 HA SER 5 -15.653 -3.252 -4.217
4 HA SER 5 HA SER 5 -16.882 -2.703 -4.336
5 HB2 SER 5 HB2 SER 5 -18.476 -2.688 -3.304
6 HB2 SER 5 HB2 SER 5 -18.973 -1.478 -4.678
7 HB3 SER 5 HB3 SER 5 -17.099 -1.585 -3.327
8 HB3 SER 5 HB3 SER 5 -19.687 -2.279 -3.279
9 HG SER 5 HG SER 5 -17.240 -2.171 -5.756
10 HG SER 5 HG SER 5 -17.279 -0.934 -2.896
11 H LYS 6 H LYS 6 -14.511 -4.251 -2.680
12 H LYS 6 H LYS 6 -16.133 -4.914 -3.344
13 HA LYS 6 HA LYS 6 -15.914 -5.591 -0.485
14 HA LYS 6 HA LYS 6 -16.948 -5.793 -0.851
15 HB2 LYS 6 HB2 LYS 6 -13.610 -6.448 0.078
16 HB2 LYS 6 HB2 LYS 6 -14.652 -6.684 -0.594
17 HB3 LYS 6 HB3 LYS 6 -14.248 -6.978 -1.472
18 HB3 LYS 6 HB3 LYS 6 -15.345 -7.037 -2.172
19 HG2 LYS 6 HG2 LYS 6 -12.780 -4.546 -1.823
20 HG2 LYS 6 HG2 LYS 6 -14.075 -4.740 -2.736
21 HG3 LYS 6 HG3 LYS 6 -11.794 -5.723 -0.951
22 HG3 LYS 6 HG3 LYS 6 -13.041 -5.350 -1.443
23 HD2 LYS 6 HD2 LYS 6 -11.988 -7.318 -2.682
24 HD2 LYS 6 HD2 LYS 6 -13.313 -7.597 -2.871
25 HD3 LYS 6 HD3 LYS 6 -13.299 -6.426 -3.459
26 HD3 LYS 6 HD3 LYS 6 -13.519 -6.415 -4.166
27 HE2 LYS 6 HE2 LYS 6 -10.468 -5.425 -3.184
28 HE2 LYS 6 HE2 LYS 6 -11.201 -6.966 -4.051
29 HE3 LYS 6 HE3 LYS 6 -11.115 -6.209 -4.623
30 HE3 LYS 6 HE3 LYS 6 -11.394 -5.337 -3.405
31 HZ1 LYS 6 HZ1 LYS 6 -12.136 -4.349 -5.253
32 HZ1 LYS 6 HZ1 LYS 6 -11.568 -6.627 -1.160
33 HZ2 LYS 6 HZ2 LYS 6 -11.162 -3.547 -4.127
34 HZ2 LYS 6 HZ2 LYS 6 -10.058 -6.274 -1.830
35 HZ3 LYS 6 HZ3 LYS 6 -12.731 -4.020 -3.702
36 HZ3 LYS 6 HZ3 LYS 6 -10.717 -7.820 -2.003
37 H LEU 7 H LEU 7 -15.846 -2.707 -0.656
38 H LEU 7 H LEU 7 -14.906 -3.069 -1.695
39 HA LEU 7 HA LEU 7 -14.533 -2.170 1.910
40 HA LEU 7 HA LEU 7 -14.036 -2.536 0.972
41 HB2 LEU 7 HB2 LEU 7 -14.514 0.020 -0.078
42 HB2 LEU 7 HB2 LEU 7 -13.802 -1.258 -1.671
43 HB3 LEU 7 HB3 LEU 7 -13.360 -0.361 1.198
44 HB3 LEU 7 HB3 LEU 7 -13.735 -0.164 -0.291
45 HG LEU 7 HG LEU 7 -13.574 -1.885 -1.396
46 HG LEU 7 HG LEU 7 -11.804 -1.293 0.582
47 HD11 LEU 7 HD11 LEU 7 -11.554 0.220 -0.640
48 HD11 LEU 7 HD11 LEU 7 -10.925 -3.077 -1.299
49 HD12 LEU 7 HD12 LEU 7 -12.919 0.488 -1.723
50 HD12 LEU 7 HD12 LEU 7 -12.659 -3.397 -1.248
51 HD13 LEU 7 HD13 LEU 7 -11.660 -0.665 -2.163
52 HD13 LEU 7 HD13 LEU 7 -11.701 -3.495 0.229
53 HD21 LEU 7 HD21 LEU 7 -11.034 -2.132 -0.312
54 HD21 LEU 7 HD21 LEU 7 -11.702 -0.573 -2.328
55 HD22 LEU 7 HD22 LEU 7 -12.309 -3.352 -0.296
56 HD22 LEU 7 HD22 LEU 7 -10.253 -1.059 -1.446
57 HD23 LEU 7 HD23 LEU 7 -12.115 -2.263 1.078
58 HD23 LEU 7 HD23 LEU 7 -11.163 0.363 -0.934
59 HA PRO 8 HA PRO 8 -18.339 -0.271 3.010
60 HA PRO 8 HA PRO 8 -17.453 -0.319 2.609
61 HB2 PRO 8 HB2 PRO 8 -17.481 1.572 4.807
62 HB2 PRO 8 HB2 PRO 8 -16.189 1.492 4.190
63 HB3 PRO 8 HB3 PRO 8 -17.516 -0.159 5.153
64 HB3 PRO 8 HB3 PRO 8 -16.289 -0.226 4.588
65 HG2 PRO 8 HG2 PRO 8 -15.210 1.557 4.319
66 HG2 PRO 8 HG2 PRO 8 -14.036 1.301 3.344
67 HG3 PRO 8 HG3 PRO 8 -15.270 0.286 5.553
68 HG3 PRO 8 HG3 PRO 8 -13.982 0.061 4.610
69 HD2 PRO 8 HD2 PRO 8 -14.243 -0.129 3.083
70 HD2 PRO 8 HD2 PRO 8 -13.400 -0.476 2.021
71 HD3 PRO 8 HD3 PRO 8 -15.067 -1.407 4.001
72 HD3 PRO 8 HD3 PRO 8 -14.151 -1.671 3.099
73 HA PRO 9 HA PRO 9 -19.102 3.500 0.879
74 HA PRO 9 HA PRO 9 -18.253 3.357 0.328
75 HB2 PRO 9 HB2 PRO 9 -20.678 4.917 2.577
76 HB2 PRO 9 HB2 PRO 9 -19.852 4.736 2.034
77 HB3 PRO 9 HB3 PRO 9 -21.241 3.478 1.715
78 HB3 PRO 9 HB3 PRO 9 -20.389 3.290 1.171
79 HG2 PRO 9 HG2 PRO 9 -20.281 3.741 4.539
80 HG2 PRO 9 HG2 PRO 9 -19.426 3.565 3.993
81 HG3 PRO 9 HG3 PRO 9 -21.666 2.832 3.907
82 HG3 PRO 9 HG3 PRO 9 -20.794 2.627 3.363
83 HD2 PRO 9 HD2 PRO 9 -19.310 1.651 4.532
84 HD2 PRO 9 HD2 PRO 9 -18.412 1.495 3.977
85 HD3 PRO 9 HD3 PRO 9 -20.353 1.066 3.220
86 HD3 PRO 9 HD3 PRO 9 -19.447 0.891 2.667
87 H GLY 10 H GLY 10 -16.892 4.255 0.918
88 H GLY 10 H GLY 10 -17.433 5.377 -0.009
89 HA2 GLY 10 HA2 GLY 10 -16.308 6.764 1.350
90 HA2 GLY 10 HA2 GLY 10 -16.558 7.478 0.629
91 HA3 GLY 10 HA3 GLY 10 -16.248 6.205 3.015
92 HA3 GLY 10 HA3 GLY 10 -16.279 6.844 2.244
93 H TRP 11 H TRP 11 -15.220 4.256 0.291
94 H TRP 11 H TRP 11 -14.976 4.415 1.214
95 HA TRP 11 HA TRP 11 -12.428 4.889 0.667
96 HA TRP 11 HA TRP 11 -12.335 5.574 0.851
97 HB2 TRP 11 HB2 TRP 11 -13.627 2.318 1.654
98 HB2 TRP 11 HB2 TRP 11 -13.200 2.708 1.284
99 HB3 TRP 11 HB3 TRP 11 -11.961 2.362 1.082
100 HB3 TRP 11 HB3 TRP 11 -11.530 3.259 1.213
101 HD1 TRP 11 HD1 TRP 11 -14.051 3.074 4.089
102 HD1 TRP 11 HD1 TRP 11 -14.648 3.476 3.452
103 HE1 TRP 11 HE1 TRP 11 -12.595 4.085 5.955
104 HE1 TRP 11 HE1 TRP 11 -13.895 4.108 5.832
105 HE3 TRP 11 HE3 TRP 11 -9.828 4.053 1.382
106 HE3 TRP 11 HE3 TRP 11 -9.697 4.358 2.529
107 HZ2 TRP 11 HZ2 TRP 11 -9.999 5.156 6.241
108 HZ2 TRP 11 HZ2 TRP 11 -11.517 4.880 7.143
109 HZ3 TRP 11 HZ3 TRP 11 -7.902 5.072 2.526
110 HZ3 TRP 11 HZ3 TRP 11 -8.251 5.039 4.400
111 HH2 TRP 11 HH2 TRP 11 -7.988 5.613 4.906
112 HH2 TRP 11 HH2 TRP 11 -9.143 5.294 6.658
113 H GLU 12 H GLU 12 -11.643 4.949 -1.326
114 H GLU 12 H GLU 12 -10.958 5.128 -0.869
115 HA GLU 12 HA GLU 12 -12.697 3.044 -3.311
116 HA GLU 12 HA GLU 12 -12.143 3.754 -3.180
117 HB2 GLU 12 HB2 GLU 12 -12.739 4.667 -4.900
118 HB2 GLU 12 HB2 GLU 12 -11.842 6.511 -3.012
119 HB3 GLU 12 HB3 GLU 12 -12.898 5.712 -3.495
120 HB3 GLU 12 HB3 GLU 12 -10.443 5.993 -3.940
121 HG2 GLU 12 HG2 GLU 12 -11.228 6.800 -4.569
122 HG2 GLU 12 HG2 GLU 12 -13.344 5.718 -4.595
123 HG3 GLU 12 HG3 GLU 12 -10.259 5.676 -3.615
124 HG3 GLU 12 HG3 GLU 12 -12.044 6.421 -5.556
125 H LYS 13 H LYS 13 -11.223 2.189 -4.864
126 H LYS 13 H LYS 13 -10.715 2.656 -4.500
127 HA LYS 13 HA LYS 13 -8.643 1.601 -3.736
128 HA LYS 13 HA LYS 13 -8.115 2.109 -3.308
129 HB2 LYS 13 HB2 LYS 13 -10.275 0.107 -5.188
130 HB2 LYS 13 HB2 LYS 13 -9.444 0.187 -3.922
131 HB3 LYS 13 HB3 LYS 13 -9.375 0.814 -6.522
132 HB3 LYS 13 HB3 LYS 13 -9.630 0.787 -5.565
133 HG2 LYS 13 HG2 LYS 13 -7.351 -0.137 -5.800
134 HG2 LYS 13 HG2 LYS 13 -7.151 0.578 -5.829
135 HG3 LYS 13 HG3 LYS 13 -8.012 -0.535 -4.214
136 HG3 LYS 13 HG3 LYS 13 -7.118 -0.228 -4.259
137 HD2 LYS 13 HD2 LYS 13 -9.713 -1.928 -5.721
138 HD2 LYS 13 HD2 LYS 13 -8.961 -1.209 -6.398
139 HD3 LYS 13 HD3 LYS 13 -8.327 -1.928 -6.813
140 HD3 LYS 13 HD3 LYS 13 -7.251 -1.638 -6.451
141 HE2 LYS 13 HE2 LYS 13 -8.281 -3.897 -5.396
142 HE2 LYS 13 HE2 LYS 13 -8.831 -2.016 -3.938
143 HE3 LYS 13 HE3 LYS 13 -6.926 -2.836 -5.011
144 HE3 LYS 13 HE3 LYS 13 -8.934 -3.203 -5.237
145 HZ1 LYS 13 HZ1 LYS 13 -7.604 -2.826 -2.920
146 HZ1 LYS 13 HZ1 LYS 13 -6.702 -2.574 -3.467
147 HZ2 LYS 13 HZ2 LYS 13 -8.945 -3.782 -3.303
148 HZ2 LYS 13 HZ2 LYS 13 -6.319 -2.991 -5.061
149 HZ3 LYS 13 HZ3 LYS 13 -9.058 -2.095 -3.380
150 HZ3 LYS 13 HZ3 LYS 13 -7.199 -4.065 -4.092
151 H ARG 14 H ARG 14 -6.951 2.896 -3.956
152 H ARG 14 H ARG 14 -6.312 3.043 -3.992
153 HA ARG 14 HA ARG 14 -6.700 4.474 -6.433
154 HA ARG 14 HA ARG 14 -6.184 3.997 -6.775
155 HB2 ARG 14 HB2 ARG 14 -6.471 5.215 -3.636
156 HB2 ARG 14 HB2 ARG 14 -5.032 5.411 -4.363
157 HB3 ARG 14 HB3 ARG 14 -5.014 5.622 -4.531
158 HB3 ARG 14 HB3 ARG 14 -4.924 5.950 -6.033
159 HG2 ARG 14 HG2 ARG 14 -6.941 6.520 -6.219
160 HG2 ARG 14 HG2 ARG 14 -7.664 5.492 -5.194
161 HG3 ARG 14 HG3 ARG 14 -7.692 6.799 -4.646
162 HG3 ARG 14 HG3 ARG 14 -6.836 6.689 -4.197
163 HD2 ARG 14 HD2 ARG 14 -6.356 8.531 -4.233
164 HD2 ARG 14 HD2 ARG 14 -7.086 6.717 -7.201
165 HD3 ARG 14 HD3 ARG 14 -4.916 7.591 -4.632
166 HD3 ARG 14 HD3 ARG 14 -7.935 7.769 -6.070
167 HE ARG 14 HE ARG 14 -6.386 8.478 -6.935
168 HE ARG 14 HE ARG 14 -5.167 8.034 -5.671
169 HH11 ARG 14 HH11 ARG 14 -3.960 9.331 -4.588
170 HH11 ARG 14 HH11 ARG 14 -7.632 8.804 -8.006
171 HH12 ARG 14 HH12 ARG 14 -3.194 10.499 -5.612
172 HH12 ARG 14 HH12 ARG 14 -6.800 10.195 -8.618
173 HH21 ARG 14 HH21 ARG 14 -5.387 10.014 -8.293
174 HH21 ARG 14 HH21 ARG 14 -4.064 9.862 -6.469
175 HH22 ARG 14 HH22 ARG 14 -4.006 10.888 -7.719
176 HH22 ARG 14 HH22 ARG 14 -4.770 10.796 -7.745
177 H MET 15 H MET 15 -4.526 4.854 -7.214
178 H MET 15 H MET 15 -3.856 4.435 -7.443
179 HA MET 15 HA MET 15 -2.700 2.651 -6.516
180 HA MET 15 HA MET 15 -2.014 2.521 -6.185
181 HB2 MET 15 HB2 MET 15 -3.835 3.011 -8.925
182 HB2 MET 15 HB2 MET 15 -2.851 1.370 -8.107
183 HB3 MET 15 HB3 MET 15 -2.414 4.026 -9.128
184 HB3 MET 15 HB3 MET 15 -2.646 2.792 -9.123
185 HG2 MET 15 HG2 MET 15 -1.598 1.565 -7.966
186 HG2 MET 15 HG2 MET 15 -0.439 2.433 -9.421
187 HG3 MET 15 HG3 MET 15 -2.625 1.219 -9.356
188 HG3 MET 15 HG3 MET 15 -0.219 1.753 -7.811
189 HE1 MET 15 HE1 MET 15 0.285 0.201 -9.377
190 HE1 MET 15 HE1 MET 15 1.347 -0.790 -9.398
191 HE2 MET 15 HE2 MET 15 -0.763 0.078 -10.789
192 HE2 MET 15 HE2 MET 15 0.821 -0.331 -11.016
193 HE3 MET 15 HE3 MET 15 0.871 0.722 -10.956
194 HE3 MET 15 HE3 MET 15 1.321 0.908 -9.866
195 H SER 16 H SER 16 -0.363 3.256 -7.361
196 H SER 16 H SER 16 -0.004 3.270 -5.868
197 HA SER 16 HA SER 16 0.272 5.857 -6.145
198 HA SER 16 HA SER 16 0.614 5.973 -6.136
199 HB2 SER 16 HB2 SER 16 2.584 4.859 -5.878
200 HB2 SER 16 HB2 SER 16 1.768 3.844 -4.865
201 HB3 SER 16 HB3 SER 16 1.316 4.079 -4.932
202 HB3 SER 16 HB3 SER 16 2.941 4.166 -6.143
203 HG SER 16 HG SER 16 1.753 2.305 -5.951
204 HG SER 16 HG SER 16 1.936 6.306 -4.635
205 H ARG 17 H ARG 17 2.396 6.805 -7.007
206 H ARG 17 H ARG 17 2.643 6.763 -7.327
207 HA ARG 17 HA ARG 17 2.473 6.545 -9.942
208 HA ARG 17 HA ARG 17 2.572 5.754 -10.094
209 HB2 ARG 17 HB2 ARG 17 1.353 8.610 -9.447
210 HB2 ARG 17 HB2 ARG 17 1.535 7.904 -10.075
211 HB3 ARG 17 HB3 ARG 17 2.582 9.056 -8.270
212 HB3 ARG 17 HB3 ARG 17 2.805 8.579 -9.064
213 HG2 ARG 17 HG2 ARG 17 4.237 9.185 -10.104
214 HG2 ARG 17 HG2 ARG 17 4.402 8.302 -10.908
215 HG3 ARG 17 HG3 ARG 17 2.936 8.855 -11.252
216 HG3 ARG 17 HG3 ARG 17 3.103 7.669 -11.919
217 HD2 ARG 17 HD2 ARG 17 3.286 11.249 -9.465
218 HD2 ARG 17 HD2 ARG 17 3.401 10.441 -10.792
219 HD3 ARG 17 HD3 ARG 17 3.221 11.204 -11.227
220 HD3 ARG 17 HD3 ARG 17 3.343 9.955 -12.485
221 HE ARG 17 HE ARG 17 0.996 11.253 -9.411
222 HE ARG 17 HE ARG 17 0.945 9.150 -11.478
223 HH11 ARG 17 HH11 ARG 17 2.069 10.343 -12.594
224 HH11 ARG 17 HH11 ARG 17 2.669 12.173 -11.566
225 HH12 ARG 17 HH12 ARG 17 0.482 10.411 -13.291
226 HH12 ARG 17 HH12 ARG 17 1.232 13.142 -11.593
227 HH21 ARG 17 HH21 ARG 17 -1.097 11.346 -10.314
228 HH21 ARG 17 HH21 ARG 17 -0.952 10.414 -11.513
229 HH22 ARG 17 HH22 ARG 17 -1.317 10.983 -11.993
230 HH22 ARG 17 HH22 ARG 17 -0.828 12.139 -11.562
231 H ASN 18 H ASN 18 4.229 7.250 -6.979
232 H ASN 18 H ASN 18 4.516 6.767 -7.409
233 HA ASN 18 HA ASN 18 6.753 6.863 -8.450
234 HA ASN 18 HA ASN 18 6.984 6.864 -8.887
235 HB2 ASN 18 HB2 ASN 18 6.142 9.105 -7.137
236 HB2 ASN 18 HB2 ASN 18 6.499 8.186 -6.783
237 HB3 ASN 18 HB3 ASN 18 6.757 8.173 -5.774
238 HB3 ASN 18 HB3 ASN 18 6.655 6.676 -5.891
239 HD21 ASN 18 HD21 ASN 18 8.813 6.808 -6.694
240 HD21 ASN 18 HD21 ASN 18 8.429 8.401 -8.440
241 HD22 ASN 18 HD22 ASN 18 10.034 7.844 -7.343
242 HD22 ASN 18 HD22 ASN 18 9.987 8.205 -7.719
243 H SER 19 H SER 19 5.608 4.575 -7.842
244 H SER 19 H SER 19 5.583 4.659 -6.469
245 HA SER 19 HA SER 19 7.431 3.293 -6.124
246 HA SER 19 HA SER 19 7.572 2.638 -7.234
247 HB2 SER 19 HB2 SER 19 5.164 4.429 -4.800
248 HB2 SER 19 HB2 SER 19 6.896 1.479 -5.150
249 HB3 SER 19 HB3 SER 19 5.027 2.671 -4.741
250 HB3 SER 19 HB3 SER 19 7.476 3.117 -4.845
251 HG SER 19 HG SER 19 6.301 3.048 -3.060
252 HG SER 19 HG SER 19 5.317 3.788 -4.676
253 H GLY 20 H GLY 20 3.945 2.740 -6.619
254 H GLY 20 H GLY 20 4.139 2.655 -6.242
255 HA2 GLY 20 HA2 GLY 20 3.411 1.299 -8.629
256 HA2 GLY 20 HA2 GLY 20 2.542 1.874 -8.009
257 HA3 GLY 20 HA3 GLY 20 4.661 0.233 -8.005
258 HA3 GLY 20 HA3 GLY 20 3.674 0.555 -8.269
259 H ARG 21 H ARG 21 3.913 0.633 -5.220
260 H ARG 21 H ARG 21 2.927 1.788 -5.084
261 HA ARG 21 HA ARG 21 2.139 -1.494 -4.898
262 HA ARG 21 HA ARG 21 1.896 -0.836 -4.351
263 HB2 ARG 21 HB2 ARG 21 2.684 0.721 -2.914
264 HB2 ARG 21 HB2 ARG 21 3.189 1.392 -2.957
265 HB3 ARG 21 HB3 ARG 21 2.064 -0.884 -2.546
266 HB3 ARG 21 HB3 ARG 21 1.843 0.698 -2.064
267 HG2 ARG 21 HG2 ARG 21 4.133 -1.905 -3.118
268 HG2 ARG 21 HG2 ARG 21 2.887 -1.321 -1.788
269 HG3 ARG 21 HG3 ARG 21 4.757 -0.396 -3.791
270 HG3 ARG 21 HG3 ARG 21 3.874 -1.131 -3.237
271 HD2 ARG 21 HD2 ARG 21 5.540 -1.085 -1.446
272 HD2 ARG 21 HD2 ARG 21 5.178 -0.967 -1.141
273 HD3 ARG 21 HD3 ARG 21 5.006 0.578 -1.686
274 HD3 ARG 21 HD3 ARG 21 5.272 0.487 -2.134
275 HE ARG 21 HE ARG 21 2.947 -1.222 -0.770
276 HE ARG 21 HE ARG 21 3.260 1.072 -0.449
277 HH11 ARG 21 HH11 ARG 21 5.484 0.979 0.146
278 HH11 ARG 21 HH11 ARG 21 6.470 -0.169 0.074
279 HH12 ARG 21 HH12 ARG 21 4.824 1.291 1.718
280 HH12 ARG 21 HH12 ARG 21 6.637 0.557 1.638
281 HH21 ARG 21 HH21 ARG 21 2.067 -0.820 1.296
282 HH21 ARG 21 HH21 ARG 21 3.468 2.031 1.609
283 HH22 ARG 21 HH22 ARG 21 2.882 0.266 2.371
284 HH22 ARG 21 HH22 ARG 21 4.928 1.808 2.511
285 H VAL 22 H VAL 22 0.154 -1.001 -3.230
286 H VAL 22 H VAL 22 -0.192 -1.271 -4.070
287 HA VAL 22 HA VAL 22 -1.512 1.100 -4.428
288 HA VAL 22 HA VAL 22 -2.178 0.716 -4.596
289 HB VAL 22 HB VAL 22 -3.453 -0.464 -4.404
290 HB VAL 22 HB VAL 22 -2.473 -2.135 -3.640
291 HG11 VAL 22 HG11 VAL 22 -2.661 -0.128 -6.540
292 HG11 VAL 22 HG11 VAL 22 -4.428 -0.820 -3.042
293 HG12 VAL 22 HG12 VAL 22 -1.094 -0.858 -6.188
294 HG12 VAL 22 HG12 VAL 22 -4.555 -0.224 -4.698
295 HG13 VAL 22 HG13 VAL 22 -2.520 -1.879 -6.389
296 HG13 VAL 22 HG13 VAL 22 -4.811 -1.935 -4.351
297 HG21 VAL 22 HG21 VAL 22 -1.433 -2.679 -4.189
298 HG21 VAL 22 HG21 VAL 22 -1.690 -1.114 -6.125
299 HG22 VAL 22 HG22 VAL 22 -2.307 -2.061 -2.788
300 HG22 VAL 22 HG22 VAL 22 -2.183 -2.767 -5.754
301 HG23 VAL 22 HG23 VAL 22 -3.193 -2.788 -4.129
302 HG23 VAL 22 HG23 VAL 22 -3.376 -1.597 -6.318
303 H TYR 23 H TYR 23 -3.469 1.570 -3.130
304 H TYR 23 H TYR 23 -3.550 1.743 -3.223
305 HA TYR 23 HA TYR 23 -3.602 0.665 -0.417
306 HA TYR 23 HA TYR 23 -3.549 1.056 -0.390
307 HB2 TYR 23 HB2 TYR 23 -3.212 2.947 0.571
308 HB2 TYR 23 HB2 TYR 23 -3.041 3.339 0.319
309 HB3 TYR 23 HB3 TYR 23 -1.771 2.161 -0.062
310 HB3 TYR 23 HB3 TYR 23 -1.711 2.675 -0.623
311 HD1 TYR 23 HD1 TYR 23 -4.014 4.995 -0.353
312 HD1 TYR 23 HD1 TYR 23 -4.457 5.114 -0.600
313 HD2 TYR 23 HD2 TYR 23 -0.791 2.930 -2.212
314 HD2 TYR 23 HD2 TYR 23 -1.142 3.587 -2.786
315 HE1 TYR 23 HE1 TYR 23 -3.557 6.972 -1.745
316 HE1 TYR 23 HE1 TYR 23 -4.553 7.064 -2.095
317 HE2 TYR 23 HE2 TYR 23 -0.325 4.901 -3.608
318 HE2 TYR 23 HE2 TYR 23 -1.226 5.533 -4.286
319 HH TYR 23 HH TYR 23 -1.779 7.955 -3.019
320 HH TYR 23 HH TYR 23 -2.794 7.221 -5.023
321 H TYR 24 H TYR 24 -5.088 2.479 0.805
322 H TYR 24 H TYR 24 -5.058 2.759 0.776
323 HA TYR 24 HA TYR 24 -7.374 2.879 -1.007
324 HA TYR 24 HA TYR 24 -7.395 3.219 -0.959
325 HB2 TYR 24 HB2 TYR 24 -7.585 2.662 1.988
326 HB2 TYR 24 HB2 TYR 24 -7.591 2.456 1.951
327 HB3 TYR 24 HB3 TYR 24 -8.848 2.441 0.781
328 HB3 TYR 24 HB3 TYR 24 -8.870 2.469 0.744
329 HD1 TYR 24 HD1 TYR 24 -9.175 0.329 -0.292
330 HD1 TYR 24 HD1 TYR 24 -8.443 0.853 -1.314
331 HD2 TYR 24 HD2 TYR 24 -5.875 0.907 2.329
332 HD2 TYR 24 HD2 TYR 24 -6.636 0.430 2.515
333 HE1 TYR 24 HE1 TYR 24 -8.776 -2.097 -0.273
334 HE1 TYR 24 HE1 TYR 24 -8.035 -1.527 -1.776
335 HE2 TYR 24 HE2 TYR 24 -5.464 -1.518 2.356
336 HE2 TYR 24 HE2 TYR 24 -6.222 -1.952 2.063
337 HH TYR 24 HH TYR 24 -6.813 -3.635 0.156
338 HH TYR 24 HH TYR 24 -5.931 -3.391 -0.100
339 H PHE 25 H PHE 25 -8.683 4.750 -0.710
340 H PHE 25 H PHE 25 -8.300 5.184 -0.861
341 HA PHE 25 HA PHE 25 -7.418 6.930 0.804
342 HA PHE 25 HA PHE 25 -7.491 6.980 1.327
343 HB2 PHE 25 HB2 PHE 25 -6.752 7.302 -1.474
344 HB2 PHE 25 HB2 PHE 25 -6.227 7.694 -0.566
345 HB3 PHE 25 HB3 PHE 25 -8.389 7.025 -2.057
346 HB3 PHE 25 HB3 PHE 25 -7.624 7.566 -1.630
347 HD1 PHE 25 HD1 PHE 25 -10.049 8.739 -1.963
348 HD1 PHE 25 HD1 PHE 25 -9.288 9.295 -1.714
349 HD2 PHE 25 HD2 PHE 25 -6.179 9.375 -0.309
350 HD2 PHE 25 HD2 PHE 25 -6.000 9.563 0.975
351 HE1 PHE 25 HE1 PHE 25 -10.517 11.150 -1.803
352 HE1 PHE 25 HE1 PHE 25 -9.801 11.670 -1.329
353 HE2 PHE 25 HE2 PHE 25 -6.641 11.786 -0.146
354 HE2 PHE 25 HE2 PHE 25 -6.509 11.939 1.368
355 HZ PHE 25 HZ PHE 25 -8.813 12.677 -0.894
356 HZ PHE 25 HZ PHE 25 -8.411 12.995 0.215
357 H ASN 26 H ASN 26 -8.784 8.017 2.064
358 H ASN 26 H ASN 26 -9.027 8.416 2.079
359 HA ASN 26 HA ASN 26 -11.644 7.450 1.816
360 HA ASN 26 HA ASN 26 -11.773 7.868 1.183
361 HB2 ASN 26 HB2 ASN 26 -10.534 7.089 4.007
362 HB2 ASN 26 HB2 ASN 26 -11.049 7.449 3.610
363 HB3 ASN 26 HB3 ASN 26 -10.147 8.806 4.069
364 HB3 ASN 26 HB3 ASN 26 -11.007 9.202 3.777
365 HD21 ASN 26 HD21 ASN 26 -12.537 6.407 4.546
366 HD21 ASN 26 HD21 ASN 26 -12.702 7.261 5.114
367 HD22 ASN 26 HD22 ASN 26 -13.794 7.450 5.107
368 HD22 ASN 26 HD22 ASN 26 -14.331 7.708 4.752
369 H HIS 27 H HIS 27 -12.758 8.828 0.605
370 H HIS 27 H HIS 27 -12.870 9.401 0.153
371 HA HIS 27 HA HIS 27 -11.913 11.611 0.391
372 HA HIS 27 HA HIS 27 -11.697 12.003 -0.238
373 HB2 HIS 27 HB2 HIS 27 -13.451 11.775 -1.458
374 HB2 HIS 27 HB2 HIS 27 -13.736 12.379 -1.670
375 HB3 HIS 27 HB3 HIS 27 -12.517 10.293 -1.644
376 HB3 HIS 27 HB3 HIS 27 -12.741 11.007 -2.146
377 HD1 HIS 27 HD1 HIS 27 -15.198 10.576 -3.075
378 HD1 HIS 27 HD1 HIS 27 -16.040 11.830 -0.539
379 HD2 HIS 27 HD2 HIS 27 -14.765 8.887 0.697
380 HD2 HIS 27 HD2 HIS 27 -13.991 8.540 -2.037
381 HE1 HIS 27 HE1 HIS 27 -17.204 9.090 -2.769
382 HE1 HIS 27 HE1 HIS 27 -17.726 9.965 -0.615
383 H ILE 28 H ILE 28 -12.902 10.866 2.912
384 H ILE 28 H ILE 28 -13.915 10.614 1.936
385 HA ILE 28 HA ILE 28 -15.350 12.496 3.014
386 HA ILE 28 HA ILE 28 -15.325 13.082 2.508
387 HB ILE 28 HB ILE 28 -14.809 9.994 4.619
388 HB ILE 28 HB ILE 28 -15.419 10.393 3.881
389 HG12 ILE 28 HG12 ILE 28 -15.622 9.655 2.289
390 HG12 ILE 28 HG12 ILE 28 -17.318 11.757 1.959
391 HG13 ILE 28 HG13 ILE 28 -16.762 9.093 3.506
392 HG13 ILE 28 HG13 ILE 28 -16.327 10.343 1.618
393 HG21 ILE 28 HG21 ILE 28 -16.393 12.305 5.237
394 HG21 ILE 28 HG21 ILE 28 -17.132 12.841 4.297
395 HG22 ILE 28 HG22 ILE 28 -17.432 10.895 5.044
396 HG22 ILE 28 HG22 ILE 28 -17.420 11.256 5.013
397 HG23 ILE 28 HG23 ILE 28 -16.103 10.859 6.203
398 HG23 ILE 28 HG23 ILE 28 -15.973 12.168 5.443
399 HD11 ILE 28 HD11 ILE 28 -17.158 10.967 1.404
400 HD11 ILE 28 HD11 ILE 28 -18.602 9.677 2.010
401 HD12 ILE 28 HD12 ILE 28 -18.329 10.321 2.553
402 HD12 ILE 28 HD12 ILE 28 -17.582 9.090 3.323
403 HD13 ILE 28 HD13 ILE 28 -17.414 11.774 2.950
404 HD13 ILE 28 HD13 ILE 28 -18.609 10.502 3.569
405 H THR 29 H THR 29 -12.522 11.274 4.751
406 H THR 29 H THR 29 -13.031 10.940 4.179
407 HA THR 29 HA THR 29 -12.599 13.703 6.420
408 HA THR 29 HA THR 29 -12.672 12.915 6.292
409 HB THR 29 HB THR 29 -11.106 11.560 7.663
410 HB THR 29 HB THR 29 -10.908 11.045 6.991
411 HG1 THR 29 HG1 THR 29 -12.605 10.180 6.675
412 HG1 THR 29 HG1 THR 29 -11.528 9.024 6.256
413 HG21 THR 29 HG21 THR 29 -12.826 12.073 9.494
414 HG21 THR 29 HG21 THR 29 -12.579 10.090 8.405
415 HG22 THR 29 HG22 THR 29 -13.417 13.330 8.408
416 HG22 THR 29 HG22 THR 29 -13.869 10.549 7.293
417 HG23 THR 29 HG23 THR 29 -11.755 13.382 8.994
418 HG23 THR 29 HG23 THR 29 -12.991 11.790 8.192
419 H ASN 30 H ASN 30 -11.225 13.147 3.861
420 H ASN 30 H ASN 30 -11.206 11.960 3.355
421 HA ASN 30 HA ASN 30 -9.175 13.341 2.876
422 HA ASN 30 HA ASN 30 -9.353 12.672 2.244
423 HB2 ASN 30 HB2 ASN 30 -9.010 15.145 5.274
424 HB2 ASN 30 HB2 ASN 30 -10.265 14.900 3.215
425 HB3 ASN 30 HB3 ASN 30 -7.640 14.984 4.180
426 HB3 ASN 30 HB3 ASN 30 -8.915 14.780 4.341
427 HD21 ASN 30 HD21 ASN 30 -8.042 15.442 1.900
428 HD21 ASN 30 HD21 ASN 30 -6.775 14.258 3.201
429 HD22 ASN 30 HD22 ASN 30 -9.196 16.659 1.488
430 HD22 ASN 30 HD22 ASN 30 -6.440 15.189 1.785
431 H ALA 31 H ALA 31 -9.492 11.039 4.572
432 H ALA 31 H ALA 31 -8.701 10.521 3.411
433 HA ALA 31 HA ALA 31 -6.847 10.717 5.790
434 HA ALA 31 HA ALA 31 -6.018 10.956 4.413
435 HB1 ALA 31 HB1 ALA 31 -8.129 9.751 7.347
436 HB1 ALA 31 HB1 ALA 31 -6.237 9.807 6.457
437 HB2 ALA 31 HB2 ALA 31 -9.485 9.543 6.238
438 HB2 ALA 31 HB2 ALA 31 -7.581 10.949 6.413
439 HB3 ALA 31 HB3 ALA 31 -8.168 8.369 6.253
440 HB3 ALA 31 HB3 ALA 31 -7.860 9.243 6.057
441 H SER 32 H SER 32 -5.561 8.843 5.321
442 H SER 32 H SER 32 -4.751 8.966 4.488
443 HA SER 32 HA SER 32 -6.177 7.196 3.051
444 HA SER 32 HA SER 32 -5.867 6.861 2.754
445 HB2 SER 32 HB2 SER 32 -4.421 7.940 1.581
446 HB2 SER 32 HB2 SER 32 -3.956 8.526 1.904
447 HB3 SER 32 HB3 SER 32 -5.396 9.347 2.005
448 HB3 SER 32 HB3 SER 32 -2.931 7.355 2.736
449 HG SER 32 HG SER 32 -3.404 10.065 2.370
450 HG SER 32 HG SER 32 -4.907 6.361 1.042
451 H GLN 33 H GLN 33 -5.613 5.317 3.943
452 H GLN 33 H GLN 33 -5.202 4.728 3.153
453 HA GLN 33 HA GLN 33 -2.895 5.074 5.039
454 HA GLN 33 HA GLN 33 -3.488 4.187 5.430
455 HB2 GLN 33 HB2 GLN 33 -3.789 3.429 6.683
456 HB2 GLN 33 HB2 GLN 33 -5.760 4.529 6.393
457 HB3 GLN 33 HB3 GLN 33 -4.377 5.069 6.932
458 HB3 GLN 33 HB3 GLN 33 -6.344 3.204 5.396
459 HG2 GLN 33 HG2 GLN 33 -6.514 4.549 6.316
460 HG2 GLN 33 HG2 GLN 33 -4.945 1.638 6.549
461 HG3 GLN 33 HG3 GLN 33 -6.008 3.212 5.285
462 HG3 GLN 33 HG3 GLN 33 -4.163 2.936 7.448
463 HE21 GLN 33 HE21 GLN 33 -8.007 2.497 6.667
464 HE21 GLN 33 HE21 GLN 33 -6.812 0.797 7.280
465 HE22 GLN 33 HE22 GLN 33 -7.606 1.585 8.077
466 HE22 GLN 33 HE22 GLN 33 -7.626 1.321 8.710
467 H PHE 34 H PHE 34 -1.992 2.912 4.928
468 H PHE 34 H PHE 34 -2.401 2.313 5.208
469 HA PHE 34 HA PHE 34 -2.654 1.637 2.431
470 HA PHE 34 HA PHE 34 -2.767 0.824 2.763
471 HB2 PHE 34 HB2 PHE 34 -0.635 0.642 4.434
472 HB2 PHE 34 HB2 PHE 34 -0.778 0.539 5.022
473 HB3 PHE 34 HB3 PHE 34 -0.646 0.412 2.689
474 HB3 PHE 34 HB3 PHE 34 -0.758 -0.442 3.559
475 HD1 PHE 34 HD1 PHE 34 0.482 2.447 5.403
476 HD1 PHE 34 HD1 PHE 34 0.862 2.126 5.048
477 HD2 PHE 34 HD2 PHE 34 -0.248 2.421 1.211
478 HD2 PHE 34 HD2 PHE 34 -1.086 1.241 1.368
479 HE1 PHE 34 HE1 PHE 34 1.940 4.411 5.142
480 HE1 PHE 34 HE1 PHE 34 2.216 3.845 3.921
481 HE2 PHE 34 HE2 PHE 34 1.211 4.386 0.942
482 HE2 PHE 34 HE2 PHE 34 0.266 2.959 0.236
483 HZ PHE 34 HZ PHE 34 2.308 5.382 2.910
484 HZ PHE 34 HZ PHE 34 1.919 4.263 1.513
485 H GLU 35 H GLU 35 -3.146 1.028 5.825
486 H GLU 35 H GLU 35 -3.307 0.344 6.195
487 HA GLU 35 HA GLU 35 -3.792 -1.730 5.608
488 HA GLU 35 HA GLU 35 -3.865 -2.455 5.984
489 HB2 GLU 35 HB2 GLU 35 -3.233 -0.189 7.700
490 HB2 GLU 35 HB2 GLU 35 -4.735 -0.610 8.206
491 HB3 GLU 35 HB3 GLU 35 -4.985 -0.052 7.764
492 HB3 GLU 35 HB3 GLU 35 -4.479 -2.347 8.290
493 HG2 GLU 35 HG2 GLU 35 -5.279 -2.274 8.266
494 HG2 GLU 35 HG2 GLU 35 -2.035 -1.454 7.474
495 HG3 GLU 35 HG3 GLU 35 -3.740 -2.750 7.551
496 HG3 GLU 35 HG3 GLU 35 -2.573 -0.150 8.533
497 H ARG 36 H ARG 36 -5.738 -2.754 5.378
498 H ARG 36 H ARG 36 -5.740 -3.464 5.580
499 HA ARG 36 HA ARG 36 -7.742 -1.477 3.875
500 HA ARG 36 HA ARG 36 -7.851 -2.244 4.294
501 HB2 ARG 36 HB2 ARG 36 -7.325 -3.889 3.760
502 HB2 ARG 36 HB2 ARG 36 -7.459 -4.658 4.230
503 HB3 ARG 36 HB3 ARG 36 -7.877 -4.071 5.418
504 HB3 ARG 36 HB3 ARG 36 -7.907 -4.786 5.925
505 HG2 ARG 36 HG2 ARG 36 -10.086 -3.084 4.603
506 HG2 ARG 36 HG2 ARG 36 -10.159 -3.789 5.188
507 HG3 ARG 36 HG3 ARG 36 -9.477 -3.401 2.978
508 HG3 ARG 36 HG3 ARG 36 -9.646 -4.226 3.557
509 HD2 ARG 36 HD2 ARG 36 -10.787 -5.279 3.597
510 HD2 ARG 36 HD2 ARG 36 -9.861 -6.449 3.940
511 HD3 ARG 36 HD3 ARG 36 -9.100 -5.779 3.698
512 HD3 ARG 36 HD3 ARG 36 -9.368 -6.313 5.628
513 HE ARG 36 HE ARG 36 -9.652 -4.990 6.221
514 HE ARG 36 HE ARG 36 -11.959 -5.192 5.060
515 HH11 ARG 36 HH11 ARG 36 -11.230 -7.164 4.005
516 HH11 ARG 36 HH11 ARG 36 -10.189 -8.058 5.939
517 HH12 ARG 36 HH12 ARG 36 -11.863 -8.186 5.254
518 HH12 ARG 36 HH12 ARG 36 -11.554 -8.832 6.676
519 HH21 ARG 36 HH21 ARG 36 -10.480 -6.328 7.873
520 HH21 ARG 36 HH21 ARG 36 -13.762 -6.200 6.026
521 HH22 ARG 36 HH22 ARG 36 -11.436 -7.709 7.453
522 HH22 ARG 36 HH22 ARG 36 -13.585 -7.774 6.724
523 HA PRO 37 HA PRO 37 -10.065 0.522 7.061
524 HA PRO 37 HA PRO 37 -9.635 -0.112 7.828
525 HB2 PRO 37 HB2 PRO 37 -12.289 1.054 5.597
526 HB2 PRO 37 HB2 PRO 37 -11.368 1.365 6.350
527 HB3 PRO 37 HB3 PRO 37 -10.780 1.956 5.415
528 HB3 PRO 37 HB3 PRO 37 -9.658 1.776 6.519
529 HG2 PRO 37 HG2 PRO 37 -11.860 -0.284 3.749
530 HG2 PRO 37 HG2 PRO 37 -11.054 0.365 4.278
531 HG3 PRO 37 HG3 PRO 37 -11.078 1.220 3.229
532 HG3 PRO 37 HG3 PRO 37 -9.812 1.629 4.204
533 HD2 PRO 37 HD2 PRO 37 -9.764 -1.146 3.330
534 HD2 PRO 37 HD2 PRO 37 -9.246 -0.994 3.845
535 HD3 PRO 37 HD3 PRO 37 -8.961 0.408 3.635
536 HD3 PRO 37 HD3 PRO 37 -8.095 0.139 4.582
537 H SER 38 H SER 38 -11.528 -0.073 8.580
538 H SER 38 H SER 38 -11.851 0.132 8.661
539 HA SER 38 HA SER 38 -12.593 -2.732 8.472
540 HA SER 38 HA SER 38 -13.772 -1.792 7.562
541 HB2 SER 38 HB2 SER 38 -13.490 -2.198 10.728
542 HB2 SER 38 HB2 SER 38 -12.560 -2.963 9.350
543 HB3 SER 38 HB3 SER 38 -11.767 -1.851 10.585
544 HB3 SER 38 HB3 SER 38 -12.947 -1.660 10.474
545 HG SER 38 HG SER 38 -12.838 -0.131 11.593
546 HG SER 38 HG SER 38 -14.999 -2.309 10.552
547 H GLY 39 H GLY 39 -14.172 0.432 8.991
548 H GLY 39 H GLY 39 -15.943 -1.572 8.739
549 HA2 GLY 39 HA2 GLY 39 -16.086 1.195 7.825
550 HA2 GLY 39 HA2 GLY 39 -16.658 0.715 10.167
551 HA3 GLY 39 HA3 GLY 39 -16.391 -0.453 7.297
552 HA3 GLY 39 HA3 GLY 39 -16.833 1.093 8.461
Start of MODEL 9
1 H1 SER 5 H SER 5 -11.344 -5.303 -1.861
2 H1 SER 5 H SER 5 -11.012 -6.369 -3.103
3 HA SER 5 HA SER 5 -12.166 -4.620 -4.602
4 HA SER 5 HA SER 5 -12.800 -5.370 -4.656
5 HB2 SER 5 HB2 SER 5 -11.841 -6.820 -5.063
6 HB2 SER 5 HB2 SER 5 -14.280 -7.423 -4.436
7 HB3 SER 5 HB3 SER 5 -11.874 -7.284 -3.362
8 HB3 SER 5 HB3 SER 5 -12.567 -7.744 -4.696
9 HG SER 5 HG SER 5 -14.109 -6.716 -5.018
10 HG SER 5 HG SER 5 -12.369 -8.104 -2.449
11 H LYS 6 H LYS 6 -13.142 -5.550 -1.343
12 H LYS 6 H LYS 6 -14.283 -6.748 -1.734
13 HA LYS 6 HA LYS 6 -15.799 -4.387 -1.871
14 HA LYS 6 HA LYS 6 -16.494 -4.916 -1.923
15 HB2 LYS 6 HB2 LYS 6 -15.914 -6.766 -1.320
16 HB2 LYS 6 HB2 LYS 6 -16.795 -7.256 -1.195
17 HB3 LYS 6 HB3 LYS 6 -15.005 -6.483 0.160
18 HB3 LYS 6 HB3 LYS 6 -15.819 -6.929 0.231
19 HG2 LYS 6 HG2 LYS 6 -16.880 -4.959 0.879
20 HG2 LYS 6 HG2 LYS 6 -17.704 -4.985 0.424
21 HG3 LYS 6 HG3 LYS 6 -17.795 -5.582 -0.495
22 HG3 LYS 6 HG3 LYS 6 -18.624 -6.293 -0.324
23 HD2 LYS 6 HD2 LYS 6 -17.510 -7.869 0.390
24 HD2 LYS 6 HD2 LYS 6 -16.989 -6.513 2.204
25 HD3 LYS 6 HD3 LYS 6 -16.672 -7.199 1.792
26 HD3 LYS 6 HD3 LYS 6 -18.747 -6.375 2.126
27 HE2 LYS 6 HE2 LYS 6 -18.584 -6.389 2.716
28 HE2 LYS 6 HE2 LYS 6 -17.051 -8.625 1.053
29 HE3 LYS 6 HE3 LYS 6 -19.336 -6.075 1.154
30 HE3 LYS 6 HE3 LYS 6 -18.138 -8.686 2.440
31 HZ1 LYS 6 HZ1 LYS 6 -20.293 -8.078 1.128
32 HZ1 LYS 6 HZ1 LYS 6 -19.737 -7.829 0.425
33 HZ2 LYS 6 HZ2 LYS 6 -19.986 -8.107 2.791
34 HZ2 LYS 6 HZ2 LYS 6 -19.638 -9.422 0.988
35 HZ3 LYS 6 HZ3 LYS 6 -18.919 -8.869 1.721
36 HZ3 LYS 6 HZ3 LYS 6 -18.730 -8.943 -0.357
37 H LEU 7 H LEU 7 -15.645 -2.315 -1.218
38 H LEU 7 H LEU 7 -14.861 -3.067 -1.733
39 HA LEU 7 HA LEU 7 -14.738 -1.844 1.544
40 HA LEU 7 HA LEU 7 -13.872 -2.493 0.909
41 HB2 LEU 7 HB2 LEU 7 -14.516 0.341 -0.450
42 HB2 LEU 7 HB2 LEU 7 -13.795 -1.188 -1.749
43 HB3 LEU 7 HB3 LEU 7 -13.528 0.002 0.969
44 HB3 LEU 7 HB3 LEU 7 -13.616 -0.146 -0.338
45 HG LEU 7 HG LEU 7 -13.391 -1.597 -1.583
46 HG LEU 7 HG LEU 7 -11.639 -1.321 0.349
47 HD11 LEU 7 HD11 LEU 7 -11.328 -0.347 -2.046
48 HD11 LEU 7 HD11 LEU 7 -10.852 -3.062 -1.545
49 HD12 LEU 7 HD12 LEU 7 -11.672 0.708 -0.676
50 HD12 LEU 7 HD12 LEU 7 -12.595 -3.320 -1.593
51 HD13 LEU 7 HD13 LEU 7 -12.756 0.688 -2.067
52 HD13 LEU 7 HD13 LEU 7 -11.716 -3.532 -0.078
53 HD21 LEU 7 HD21 LEU 7 -11.153 -2.204 -0.594
54 HD21 LEU 7 HD21 LEU 7 -11.619 -0.676 -2.597
55 HD22 LEU 7 HD22 LEU 7 -12.562 -2.858 0.244
56 HD22 LEU 7 HD22 LEU 7 -10.175 -0.910 -1.610
57 HD23 LEU 7 HD23 LEU 7 -11.708 -1.463 0.908
58 HD23 LEU 7 HD23 LEU 7 -11.274 0.426 -1.262
59 HA PRO 8 HA PRO 8 -18.628 0.055 2.281
60 HA PRO 8 HA PRO 8 -17.363 -0.403 2.569
61 HB2 PRO 8 HB2 PRO 8 -17.945 1.902 4.153
62 HB2 PRO 8 HB2 PRO 8 -16.136 1.401 4.186
63 HB3 PRO 8 HB3 PRO 8 -18.012 0.168 4.492
64 HB3 PRO 8 HB3 PRO 8 -16.208 -0.326 4.553
65 HG2 PRO 8 HG2 PRO 8 -15.639 1.889 3.881
66 HG2 PRO 8 HG2 PRO 8 -13.976 1.262 3.346
67 HG3 PRO 8 HG3 PRO 8 -15.814 0.617 5.103
68 HG3 PRO 8 HG3 PRO 8 -13.905 -0.000 4.591
69 HD2 PRO 8 HD2 PRO 8 -14.558 0.205 2.742
70 HD2 PRO 8 HD2 PRO 8 -13.306 -0.479 1.995
71 HD3 PRO 8 HD3 PRO 8 -15.463 -1.074 3.577
72 HD3 PRO 8 HD3 PRO 8 -14.039 -1.705 3.046
73 HA PRO 9 HA PRO 9 -19.187 3.822 0.082
74 HA PRO 9 HA PRO 9 -18.219 3.303 0.358
75 HB2 PRO 9 HB2 PRO 9 -20.938 5.226 1.611
76 HB2 PRO 9 HB2 PRO 9 -19.833 4.629 2.091
77 HB3 PRO 9 HB3 PRO 9 -21.402 3.788 0.695
78 HB3 PRO 9 HB3 PRO 9 -20.352 3.190 1.206
79 HG2 PRO 9 HG2 PRO 9 -20.736 4.050 3.602
80 HG2 PRO 9 HG2 PRO 9 -19.386 3.432 4.028
81 HG3 PRO 9 HG3 PRO 9 -22.044 3.133 2.831
82 HG3 PRO 9 HG3 PRO 9 -20.742 2.487 3.387
83 HD2 PRO 9 HD2 PRO 9 -19.757 1.966 3.691
84 HD2 PRO 9 HD2 PRO 9 -18.343 1.377 3.976
85 HD3 PRO 9 HD3 PRO 9 -20.658 1.376 2.279
86 HD3 PRO 9 HD3 PRO 9 -19.375 0.781 2.658
87 H GLY 10 H GLY 10 -16.934 4.490 0.463
88 H GLY 10 H GLY 10 -17.464 5.361 0.066
89 HA2 GLY 10 HA2 GLY 10 -16.595 7.111 1.096
90 HA2 GLY 10 HA2 GLY 10 -16.611 7.456 0.737
91 HA3 GLY 10 HA3 GLY 10 -16.371 6.296 2.636
92 HA3 GLY 10 HA3 GLY 10 -16.308 6.793 2.336
93 H TRP 11 H TRP 11 -15.264 3.926 1.092
94 H TRP 11 H TRP 11 -14.968 4.410 1.261
95 HA TRP 11 HA TRP 11 -12.550 5.024 0.801
96 HA TRP 11 HA TRP 11 -12.351 5.620 0.904
97 HB2 TRP 11 HB2 TRP 11 -13.588 2.335 1.653
98 HB2 TRP 11 HB2 TRP 11 -13.172 2.731 1.275
99 HB3 TRP 11 HB3 TRP 11 -11.942 2.508 1.048
100 HB3 TRP 11 HB3 TRP 11 -11.508 3.307 1.200
101 HD1 TRP 11 HD1 TRP 11 -13.995 2.924 4.139
102 HD1 TRP 11 HD1 TRP 11 -14.609 3.432 3.471
103 HE1 TRP 11 HE1 TRP 11 -12.546 3.889 6.035
104 HE1 TRP 11 HE1 TRP 11 -13.843 4.019 5.857
105 HE3 TRP 11 HE3 TRP 11 -9.889 4.274 1.411
106 HE3 TRP 11 HE3 TRP 11 -9.677 4.394 2.526
107 HZ2 TRP 11 HZ2 TRP 11 -9.998 5.067 6.335
108 HZ2 TRP 11 HZ2 TRP 11 -11.462 4.786 7.167
109 HZ3 TRP 11 HZ3 TRP 11 -7.987 5.313 2.579
110 HZ3 TRP 11 HZ3 TRP 11 -8.224 5.051 4.400
111 HH2 TRP 11 HH2 TRP 11 -8.044 5.701 4.989
112 HH2 TRP 11 HH2 TRP 11 -9.099 5.242 6.672
113 H GLU 12 H GLU 12 -11.532 4.934 -1.103
114 H GLU 12 H GLU 12 -10.993 5.278 -0.843
115 HA GLU 12 HA GLU 12 -12.680 3.232 -3.214
116 HA GLU 12 HA GLU 12 -12.134 3.894 -3.170
117 HB2 GLU 12 HB2 GLU 12 -12.408 4.933 -4.831
118 HB2 GLU 12 HB2 GLU 12 -12.536 6.331 -3.394
119 HB3 GLU 12 HB3 GLU 12 -13.156 5.719 -3.447
120 HB3 GLU 12 HB3 GLU 12 -10.805 6.607 -3.269
121 HG2 GLU 12 HG2 GLU 12 -11.524 7.204 -3.412
122 HG2 GLU 12 HG2 GLU 12 -11.913 6.557 -5.595
123 HG3 GLU 12 HG3 GLU 12 -10.356 5.916 -3.119
124 HG3 GLU 12 HG3 GLU 12 -10.374 5.733 -5.354
125 H LYS 13 H LYS 13 -11.171 2.634 -4.925
126 H LYS 13 H LYS 13 -10.702 2.768 -4.394
127 HA LYS 13 HA LYS 13 -8.551 2.039 -3.812
128 HA LYS 13 HA LYS 13 -8.062 2.375 -3.284
129 HB2 LYS 13 HB2 LYS 13 -10.238 0.517 -5.252
130 HB2 LYS 13 HB2 LYS 13 -9.266 0.409 -3.967
131 HB3 LYS 13 HB3 LYS 13 -9.260 1.171 -6.560
132 HB3 LYS 13 HB3 LYS 13 -9.532 1.067 -5.576
133 HG2 LYS 13 HG2 LYS 13 -7.285 0.220 -5.695
134 HG2 LYS 13 HG2 LYS 13 -7.078 0.999 -5.950
135 HG3 LYS 13 HG3 LYS 13 -8.055 -0.152 -4.148
136 HG3 LYS 13 HG3 LYS 13 -6.908 0.191 -4.389
137 HD2 LYS 13 HD2 LYS 13 -9.665 -1.572 -5.668
138 HD2 LYS 13 HD2 LYS 13 -8.740 -0.893 -6.502
139 HD3 LYS 13 HD3 LYS 13 -8.295 -1.535 -6.780
140 HD3 LYS 13 HD3 LYS 13 -7.013 -1.255 -6.523
141 HE2 LYS 13 HE2 LYS 13 -8.119 -3.513 -5.445
142 HE2 LYS 13 HE2 LYS 13 -7.166 -2.662 -4.777
143 HE3 LYS 13 HE3 LYS 13 -6.860 -2.391 -4.934
144 HE3 LYS 13 HE3 LYS 13 -8.298 -1.623 -3.914
145 HZ1 LYS 13 HZ1 LYS 13 -9.129 -3.406 -3.465
146 HZ1 LYS 13 HZ1 LYS 13 -8.874 -3.661 -5.971
147 HZ2 LYS 13 HZ2 LYS 13 -8.882 -1.742 -3.293
148 HZ2 LYS 13 HZ2 LYS 13 -9.983 -2.430 -5.629
149 HZ3 LYS 13 HZ3 LYS 13 -7.645 -2.824 -2.899
150 HZ3 LYS 13 HZ3 LYS 13 -9.523 -3.515 -4.416
151 H ARG 14 H ARG 14 -6.759 3.122 -4.298
152 H ARG 14 H ARG 14 -6.238 3.274 -3.992
153 HA ARG 14 HA ARG 14 -6.693 4.706 -6.777
154 HA ARG 14 HA ARG 14 -6.232 4.501 -6.671
155 HB2 ARG 14 HB2 ARG 14 -6.539 5.647 -4.048
156 HB2 ARG 14 HB2 ARG 14 -4.855 5.582 -4.205
157 HB3 ARG 14 HB3 ARG 14 -5.066 6.041 -4.924
158 HB3 ARG 14 HB3 ARG 14 -4.850 6.312 -5.806
159 HG2 ARG 14 HG2 ARG 14 -6.818 6.833 -6.753
160 HG2 ARG 14 HG2 ARG 14 -7.456 5.816 -4.453
161 HG3 ARG 14 HG3 ARG 14 -7.835 7.016 -5.321
162 HG3 ARG 14 HG3 ARG 14 -6.460 7.178 -3.937
163 HD2 ARG 14 HD2 ARG 14 -6.647 8.767 -4.547
164 HD2 ARG 14 HD2 ARG 14 -7.448 6.642 -6.736
165 HD3 ARG 14 HD3 ARG 14 -5.107 8.075 -5.053
166 HD3 ARG 14 HD3 ARG 14 -8.063 7.872 -5.632
167 HE ARG 14 HE ARG 14 -6.694 9.962 -6.487
168 HE ARG 14 HE ARG 14 -5.438 8.480 -5.825
169 HH11 ARG 14 HH11 ARG 14 -4.455 7.323 -6.854
170 HH11 ARG 14 HH11 ARG 14 -7.931 7.905 -8.184
171 HH12 ARG 14 HH12 ARG 14 -3.888 7.846 -8.404
172 HH12 ARG 14 HH12 ARG 14 -7.241 8.966 -9.366
173 HH21 ARG 14 HH21 ARG 14 -5.956 10.662 -8.531
174 HH21 ARG 14 HH21 ARG 14 -4.518 9.880 -7.372
175 HH22 ARG 14 HH22 ARG 14 -4.742 9.746 -9.357
176 HH22 ARG 14 HH22 ARG 14 -5.297 10.088 -8.903
177 H MET 15 H MET 15 -4.479 5.255 -7.481
178 H MET 15 H MET 15 -3.937 4.925 -7.446
179 HA MET 15 HA MET 15 -2.518 3.232 -6.623
180 HA MET 15 HA MET 15 -2.090 2.834 -6.527
181 HB2 MET 15 HB2 MET 15 -3.742 3.429 -9.135
182 HB2 MET 15 HB2 MET 15 -3.225 1.966 -8.504
183 HB3 MET 15 HB3 MET 15 -2.126 4.087 -9.358
184 HB3 MET 15 HB3 MET 15 -2.810 3.419 -9.404
185 HG2 MET 15 HG2 MET 15 -1.210 2.020 -8.328
186 HG2 MET 15 HG2 MET 15 -1.005 2.356 -10.108
187 HG3 MET 15 HG3 MET 15 -2.846 1.366 -8.302
188 HG3 MET 15 HG3 MET 15 -0.382 2.473 -8.464
189 HE1 MET 15 HE1 MET 15 0.373 1.031 -10.474
190 HE1 MET 15 HE1 MET 15 0.476 0.721 -10.548
191 HE2 MET 15 HE2 MET 15 -0.503 -0.024 -9.365
192 HE2 MET 15 HE2 MET 15 0.938 -0.569 -9.439
193 HE3 MET 15 HE3 MET 15 -0.534 -0.348 -11.100
194 HE3 MET 15 HE3 MET 15 -0.213 -0.891 -10.735
195 H SER 16 H SER 16 -0.244 3.836 -7.332
196 H SER 16 H SER 16 -0.093 3.560 -6.187
197 HA SER 16 HA SER 16 0.148 6.742 -7.027
198 HA SER 16 HA SER 16 0.602 6.250 -6.380
199 HB2 SER 16 HB2 SER 16 2.465 5.388 -6.113
200 HB2 SER 16 HB2 SER 16 1.690 4.299 -5.026
201 HB3 SER 16 HB3 SER 16 1.315 6.329 -5.162
202 HB3 SER 16 HB3 SER 16 2.704 4.107 -6.456
203 HG SER 16 HG SER 16 1.195 3.554 -5.745
204 HG SER 16 HG SER 16 3.266 5.672 -4.580
205 H ARG 17 H ARG 17 1.556 7.736 -8.376
206 H ARG 17 H ARG 17 2.528 7.099 -7.620
207 HA ARG 17 HA ARG 17 2.701 6.087 -10.515
208 HA ARG 17 HA ARG 17 2.435 6.124 -10.399
209 HB2 ARG 17 HB2 ARG 17 2.843 8.154 -11.804
210 HB2 ARG 17 HB2 ARG 17 1.305 8.307 -10.087
211 HB3 ARG 17 HB3 ARG 17 1.210 7.917 -11.197
212 HB3 ARG 17 HB3 ARG 17 2.809 8.974 -9.466
213 HG2 ARG 17 HG2 ARG 17 1.286 9.742 -9.878
214 HG2 ARG 17 HG2 ARG 17 3.548 7.892 -11.888
215 HG3 ARG 17 HG3 ARG 17 2.996 9.529 -9.495
216 HG3 ARG 17 HG3 ARG 17 1.943 8.553 -12.204
217 HD2 ARG 17 HD2 ARG 17 1.905 10.549 -12.115
218 HD2 ARG 17 HD2 ARG 17 3.699 10.199 -12.645
219 HD3 ARG 17 HD3 ARG 17 2.573 11.554 -10.829
220 HD3 ARG 17 HD3 ARG 17 2.643 10.711 -11.329
221 HE ARG 17 HE ARG 17 4.034 10.010 -12.751
222 HE ARG 17 HE ARG 17 4.664 9.501 -10.024
223 HH11 ARG 17 HH11 ARG 17 4.115 11.389 -9.557
224 HH11 ARG 17 HH11 ARG 17 4.582 11.943 -12.504
225 HH12 ARG 17 HH12 ARG 17 5.844 11.470 -9.493
226 HH12 ARG 17 HH12 ARG 17 6.045 12.710 -11.979
227 HH21 ARG 17 HH21 ARG 17 6.313 10.110 -12.680
228 HH21 ARG 17 HH21 ARG 17 6.591 10.501 -9.324
229 HH22 ARG 17 HH22 ARG 17 7.094 10.744 -11.270
230 HH22 ARG 17 HH22 ARG 17 7.187 11.889 -10.171
231 H ASN 18 H ASN 18 3.858 6.487 -7.783
232 H ASN 18 H ASN 18 4.390 7.186 -7.738
233 HA ASN 18 HA ASN 18 6.541 7.214 -8.683
234 HA ASN 18 HA ASN 18 6.825 7.379 -9.263
235 HB2 ASN 18 HB2 ASN 18 5.479 9.238 -7.621
236 HB2 ASN 18 HB2 ASN 18 6.270 8.646 -7.103
237 HB3 ASN 18 HB3 ASN 18 5.388 8.324 -6.118
238 HB3 ASN 18 HB3 ASN 18 6.637 7.141 -6.265
239 HD21 ASN 18 HD21 ASN 18 7.751 9.141 -8.637
240 HD21 ASN 18 HD21 ASN 18 8.785 6.159 -6.899
241 HD22 ASN 18 HD22 ASN 18 9.057 9.446 -7.549
242 HD22 ASN 18 HD22 ASN 18 10.116 7.252 -7.044
243 H SER 19 H SER 19 5.306 4.689 -8.118
244 H SER 19 H SER 19 5.576 5.136 -6.796
245 HA SER 19 HA SER 19 7.298 3.491 -6.552
246 HA SER 19 HA SER 19 7.600 3.178 -7.635
247 HB2 SER 19 HB2 SER 19 5.025 4.519 -5.059
248 HB2 SER 19 HB2 SER 19 7.012 2.004 -5.508
249 HB3 SER 19 HB3 SER 19 5.198 2.775 -4.859
250 HB3 SER 19 HB3 SER 19 7.631 3.635 -5.255
251 HG SER 19 HG SER 19 7.300 3.096 -4.152
252 HG SER 19 HG SER 19 5.565 4.346 -4.861
253 H GLY 20 H GLY 20 3.780 3.033 -6.997
254 H GLY 20 H GLY 20 4.262 2.976 -6.383
255 HA2 GLY 20 HA2 GLY 20 3.129 1.479 -8.828
256 HA2 GLY 20 HA2 GLY 20 2.609 2.158 -8.133
257 HA3 GLY 20 HA3 GLY 20 4.407 0.427 -8.242
258 HA3 GLY 20 HA3 GLY 20 3.767 0.862 -8.383
259 H ARG 21 H ARG 21 3.811 0.931 -5.431
260 H ARG 21 H ARG 21 2.991 2.226 -5.243
261 HA ARG 21 HA ARG 21 2.078 -1.186 -4.925
262 HA ARG 21 HA ARG 21 2.103 -0.411 -4.371
263 HB2 ARG 21 HB2 ARG 21 2.617 1.128 -3.060
264 HB2 ARG 21 HB2 ARG 21 3.315 1.935 -3.096
265 HB3 ARG 21 HB3 ARG 21 2.125 -0.500 -2.613
266 HB3 ARG 21 HB3 ARG 21 2.030 1.199 -2.147
267 HG2 ARG 21 HG2 ARG 21 4.226 -1.213 -2.584
268 HG2 ARG 21 HG2 ARG 21 3.205 -0.715 -1.779
269 HG3 ARG 21 HG3 ARG 21 4.550 -0.532 -4.178
270 HG3 ARG 21 HG3 ARG 21 4.089 -0.594 -3.303
271 HD2 ARG 21 HD2 ARG 21 5.958 0.371 -2.292
272 HD2 ARG 21 HD2 ARG 21 5.437 -0.223 -1.194
273 HD3 ARG 21 HD3 ARG 21 5.115 1.576 -3.265
274 HD3 ARG 21 HD3 ARG 21 5.564 1.026 -2.431
275 HE ARG 21 HE ARG 21 3.978 2.206 -1.393
276 HE ARG 21 HE ARG 21 4.686 2.506 -0.938
277 HH11 ARG 21 HH11 ARG 21 5.238 -1.002 -0.901
278 HH11 ARG 21 HH11 ARG 21 3.836 -0.715 0.068
279 HH12 ARG 21 HH12 ARG 21 4.732 -1.087 0.755
280 HH12 ARG 21 HH12 ARG 21 3.099 -0.199 1.548
281 HH21 ARG 21 HH21 ARG 21 3.309 2.106 0.786
282 HH21 ARG 21 HH21 ARG 21 3.717 3.199 1.008
283 HH22 ARG 21 HH22 ARG 21 3.634 0.681 1.712
284 HH22 ARG 21 HH22 ARG 21 3.029 2.028 2.081
285 H VAL 22 H VAL 22 0.127 -0.720 -3.273
286 H VAL 22 H VAL 22 0.028 -0.912 -4.171
287 HA VAL 22 HA VAL 22 -1.608 1.340 -4.450
288 HA VAL 22 HA VAL 22 -2.024 1.018 -4.653
289 HB VAL 22 HB VAL 22 -3.514 -0.340 -4.222
290 HB VAL 22 HB VAL 22 -2.222 -1.862 -3.758
291 HG11 VAL 22 HG11 VAL 22 -2.952 0.262 -6.398
292 HG11 VAL 22 HG11 VAL 22 -4.220 -0.622 -3.131
293 HG12 VAL 22 HG12 VAL 22 -1.362 -0.496 -6.303
294 HG12 VAL 22 HG12 VAL 22 -4.368 -0.001 -4.778
295 HG13 VAL 22 HG13 VAL 22 -2.812 -1.495 -6.415
296 HG13 VAL 22 HG13 VAL 22 -4.565 -1.726 -4.462
297 HG21 VAL 22 HG21 VAL 22 -1.295 -2.366 -4.391
298 HG21 VAL 22 HG21 VAL 22 -1.496 -0.744 -6.230
299 HG22 VAL 22 HG22 VAL 22 -2.103 -1.949 -2.879
300 HG22 VAL 22 HG22 VAL 22 -1.885 -2.428 -5.882
301 HG23 VAL 22 HG23 VAL 22 -3.025 -2.658 -4.205
302 HG23 VAL 22 HG23 VAL 22 -3.149 -1.323 -6.418
303 H TYR 23 H TYR 23 -3.601 1.696 -3.109
304 H TYR 23 H TYR 23 -3.386 2.009 -3.256
305 HA TYR 23 HA TYR 23 -3.639 0.859 -0.388
306 HA TYR 23 HA TYR 23 -3.400 1.241 -0.446
307 HB2 TYR 23 HB2 TYR 23 -3.280 3.201 0.542
308 HB2 TYR 23 HB2 TYR 23 -2.928 3.520 0.325
309 HB3 TYR 23 HB3 TYR 23 -1.839 2.358 -0.017
310 HB3 TYR 23 HB3 TYR 23 -1.577 2.876 -0.603
311 HD1 TYR 23 HD1 TYR 23 -4.312 4.958 -0.947
312 HD1 TYR 23 HD1 TYR 23 -4.232 5.378 -0.498
313 HD2 TYR 23 HD2 TYR 23 -0.484 3.268 -1.719
314 HD2 TYR 23 HD2 TYR 23 -1.062 3.756 -2.828
315 HE1 TYR 23 HE1 TYR 23 -3.776 6.858 -2.412
316 HE1 TYR 23 HE1 TYR 23 -4.303 7.355 -1.960
317 HE2 TYR 23 HE2 TYR 23 0.063 5.164 -3.189
318 HE2 TYR 23 HE2 TYR 23 -1.125 5.729 -4.295
319 HH TYR 23 HH TYR 23 -0.626 7.088 -4.045
320 HH TYR 23 HH TYR 23 -3.664 8.065 -4.127
321 H TYR 24 H TYR 24 -5.117 2.662 0.855
322 H TYR 24 H TYR 24 -4.939 2.870 0.764
323 HA TYR 24 HA TYR 24 -7.435 3.055 -0.921
324 HA TYR 24 HA TYR 24 -7.265 3.372 -0.976
325 HB2 TYR 24 HB2 TYR 24 -7.573 2.761 2.075
326 HB2 TYR 24 HB2 TYR 24 -7.478 2.524 1.908
327 HB3 TYR 24 HB3 TYR 24 -8.881 2.617 0.908
328 HB3 TYR 24 HB3 TYR 24 -8.745 2.553 0.687
329 HD1 TYR 24 HD1 TYR 24 -9.248 0.569 -0.302
330 HD1 TYR 24 HD1 TYR 24 -8.420 0.958 -1.341
331 HD2 TYR 24 HD2 TYR 24 -5.946 0.944 2.352
332 HD2 TYR 24 HD2 TYR 24 -6.362 0.537 2.357
333 HE1 TYR 24 HE1 TYR 24 -8.908 -1.865 -0.394
334 HE1 TYR 24 HE1 TYR 24 -7.977 -1.403 -1.864
335 HE2 TYR 24 HE2 TYR 24 -5.594 -1.488 2.267
336 HE2 TYR 24 HE2 TYR 24 -5.912 -1.827 1.845
337 HH TYR 24 HH TYR 24 -7.882 -3.624 0.757
338 HH TYR 24 HH TYR 24 -7.027 -3.291 -1.196
339 H PHE 25 H PHE 25 -8.682 4.937 -0.696
340 H PHE 25 H PHE 25 -8.309 5.279 -0.735
341 HA PHE 25 HA PHE 25 -7.451 7.097 0.880
342 HA PHE 25 HA PHE 25 -7.494 7.028 1.483
343 HB2 PHE 25 HB2 PHE 25 -6.877 7.266 -1.556
344 HB2 PHE 25 HB2 PHE 25 -6.226 7.822 -0.379
345 HB3 PHE 25 HB3 PHE 25 -8.598 7.432 -1.898
346 HB3 PHE 25 HB3 PHE 25 -7.618 7.722 -1.451
347 HD1 PHE 25 HD1 PHE 25 -9.257 9.572 -2.351
348 HD1 PHE 25 HD1 PHE 25 -9.155 9.500 -1.635
349 HD2 PHE 25 HD2 PHE 25 -6.167 8.938 0.508
350 HD2 PHE 25 HD2 PHE 25 -6.166 9.566 1.396
351 HE1 PHE 25 HE1 PHE 25 -9.095 12.000 -1.995
352 HE1 PHE 25 HE1 PHE 25 -9.695 11.853 -1.160
353 HE2 PHE 25 HE2 PHE 25 -5.999 11.365 0.870
354 HE2 PHE 25 HE2 PHE 25 -6.702 11.920 1.876
355 HZ PHE 25 HZ PHE 25 -7.465 12.901 -0.381
356 HZ PHE 25 HZ PHE 25 -8.468 13.065 0.598
357 H ASN 26 H ASN 26 -8.828 8.109 2.182
358 H ASN 26 H ASN 26 -9.053 8.442 2.251
359 HA ASN 26 HA ASN 26 -11.690 7.588 1.865
360 HA ASN 26 HA ASN 26 -11.784 7.880 1.317
361 HB2 ASN 26 HB2 ASN 26 -10.582 7.105 4.052
362 HB2 ASN 26 HB2 ASN 26 -11.077 7.374 3.735
363 HB3 ASN 26 HB3 ASN 26 -10.242 8.827 4.215
364 HB3 ASN 26 HB3 ASN 26 -11.068 9.121 3.968
365 HD21 ASN 26 HD21 ASN 26 -12.685 6.368 4.257
366 HD21 ASN 26 HD21 ASN 26 -12.746 7.053 5.176
367 HD22 ASN 26 HD22 ASN 26 -13.938 7.337 4.950
368 HD22 ASN 26 HD22 ASN 26 -14.375 7.505 4.825
369 H HIS 27 H HIS 27 -12.731 9.043 0.671
370 H HIS 27 H HIS 27 -12.903 9.440 0.352
371 HA HIS 27 HA HIS 27 -11.858 11.823 0.649
372 HA HIS 27 HA HIS 27 -11.756 12.069 0.064
373 HB2 HIS 27 HB2 HIS 27 -13.310 12.110 -1.240
374 HB2 HIS 27 HB2 HIS 27 -13.800 12.475 -1.356
375 HB3 HIS 27 HB3 HIS 27 -12.426 10.606 -1.471
376 HB3 HIS 27 HB3 HIS 27 -12.783 11.140 -1.884
377 HD1 HIS 27 HD1 HIS 27 -15.078 11.103 -2.938
378 HD1 HIS 27 HD1 HIS 27 -16.106 11.855 -0.287
379 HD2 HIS 27 HD2 HIS 27 -14.764 9.126 0.703
380 HD2 HIS 27 HD2 HIS 27 -13.987 8.643 -1.851
381 HE1 HIS 27 HE1 HIS 27 -17.135 9.667 -2.773
382 HE1 HIS 27 HE1 HIS 27 -17.760 9.968 -0.437
383 H ILE 28 H ILE 28 -12.960 10.898 3.085
384 H ILE 28 H ILE 28 -14.003 10.568 2.149
385 HA ILE 28 HA ILE 28 -15.399 12.545 3.205
386 HA ILE 28 HA ILE 28 -15.425 12.999 2.819
387 HB ILE 28 HB ILE 28 -14.874 9.989 4.727
388 HB ILE 28 HB ILE 28 -15.502 10.261 4.091
389 HG12 ILE 28 HG12 ILE 28 -15.604 9.626 2.417
390 HG12 ILE 28 HG12 ILE 28 -17.388 11.667 2.187
391 HG13 ILE 28 HG13 ILE 28 -16.874 9.172 3.548
392 HG13 ILE 28 HG13 ILE 28 -16.384 10.268 1.821
393 HG21 ILE 28 HG21 ILE 28 -16.233 10.765 6.300
394 HG21 ILE 28 HG21 ILE 28 -17.521 11.057 5.234
395 HG22 ILE 28 HG22 ILE 28 -16.484 12.257 5.396
396 HG22 ILE 28 HG22 ILE 28 -16.093 11.981 5.703
397 HG23 ILE 28 HG23 ILE 28 -17.520 10.861 5.097
398 HG23 ILE 28 HG23 ILE 28 -17.256 12.666 4.568
399 HD11 ILE 28 HD11 ILE 28 -16.792 11.346 1.558
400 HD11 ILE 28 HD11 ILE 28 -17.659 8.972 3.492
401 HD12 ILE 28 HD12 ILE 28 -18.136 10.334 2.089
402 HD12 ILE 28 HD12 ILE 28 -18.709 10.369 3.725
403 HD13 ILE 28 HD13 ILE 28 -17.606 11.692 3.084
404 HD13 ILE 28 HD13 ILE 28 -18.648 9.563 2.157
405 H THR 29 H THR 29 -12.637 11.238 4.999
406 H THR 29 H THR 29 -13.119 10.815 4.417
407 HA THR 29 HA THR 29 -12.754 13.613 6.740
408 HA THR 29 HA THR 29 -12.799 12.698 6.615
409 HB THR 29 HB THR 29 -11.287 11.462 7.971
410 HB THR 29 HB THR 29 -10.996 10.816 7.214
411 HG1 THR 29 HG1 THR 29 -14.020 10.830 7.715
412 HG1 THR 29 HG1 THR 29 -11.809 8.788 6.472
413 HG21 THR 29 HG21 THR 29 -12.026 13.047 9.454
414 HG21 THR 29 HG21 THR 29 -13.112 11.522 8.437
415 HG22 THR 29 HG22 THR 29 -13.308 11.849 9.631
416 HG22 THR 29 HG22 THR 29 -12.605 9.846 8.649
417 HG23 THR 29 HG23 THR 29 -13.562 13.269 8.618
418 HG23 THR 29 HG23 THR 29 -13.929 10.234 7.552
419 H ASN 30 H ASN 30 -11.302 13.124 4.198
420 H ASN 30 H ASN 30 -11.291 11.883 3.652
421 HA ASN 30 HA ASN 30 -9.220 13.336 3.284
422 HA ASN 30 HA ASN 30 -9.447 12.678 2.581
423 HB2 ASN 30 HB2 ASN 30 -9.177 15.126 5.693
424 HB2 ASN 30 HB2 ASN 30 -10.407 14.847 3.644
425 HB3 ASN 30 HB3 ASN 30 -7.745 14.977 4.679
426 HB3 ASN 30 HB3 ASN 30 -9.058 14.705 4.766
427 HD21 ASN 30 HD21 ASN 30 -8.012 15.447 2.386
428 HD21 ASN 30 HD21 ASN 30 -6.905 14.295 3.629
429 HD22 ASN 30 HD22 ASN 30 -9.149 16.658 1.911
430 HD22 ASN 30 HD22 ASN 30 -6.585 15.281 2.244
431 H ALA 31 H ALA 31 -9.561 11.007 4.920
432 H ALA 31 H ALA 31 -8.776 10.490 3.684
433 HA ALA 31 HA ALA 31 -6.978 10.703 6.263
434 HA ALA 31 HA ALA 31 -6.102 10.932 4.712
435 HB1 ALA 31 HB1 ALA 31 -9.603 9.397 6.473
436 HB1 ALA 31 HB1 ALA 31 -7.643 10.838 6.708
437 HB2 ALA 31 HB2 ALA 31 -8.211 8.323 6.629
438 HB2 ALA 31 HB2 ALA 31 -7.951 9.154 6.285
439 HB3 ALA 31 HB3 ALA 31 -8.382 9.707 7.709
440 HB3 ALA 31 HB3 ALA 31 -6.318 9.674 6.704
441 H SER 32 H SER 32 -5.777 8.659 5.894
442 H SER 32 H SER 32 -4.759 9.047 4.593
443 HA SER 32 HA SER 32 -6.180 7.189 3.480
444 HA SER 32 HA SER 32 -5.863 6.925 2.870
445 HB2 SER 32 HB2 SER 32 -5.123 9.532 2.865
446 HB2 SER 32 HB2 SER 32 -3.900 8.749 2.164
447 HB3 SER 32 HB3 SER 32 -3.636 8.758 3.407
448 HB3 SER 32 HB3 SER 32 -2.979 7.320 2.629
449 HG SER 32 HG SER 32 -4.513 6.974 1.908
450 HG SER 32 HG SER 32 -4.254 7.739 0.367
451 H GLN 33 H GLN 33 -5.828 5.292 4.485
452 H GLN 33 H GLN 33 -5.153 4.821 3.220
453 HA GLN 33 HA GLN 33 -3.306 4.966 5.968
454 HA GLN 33 HA GLN 33 -3.241 4.271 5.324
455 HB2 GLN 33 HB2 GLN 33 -4.486 2.904 6.911
456 HB2 GLN 33 HB2 GLN 33 -5.194 4.539 6.681
457 HB3 GLN 33 HB3 GLN 33 -5.062 4.475 7.452
458 HB3 GLN 33 HB3 GLN 33 -6.161 3.562 5.584
459 HG2 GLN 33 HG2 GLN 33 -6.983 4.350 6.088
460 HG2 GLN 33 HG2 GLN 33 -4.884 1.586 6.183
461 HG3 GLN 33 HG3 GLN 33 -6.344 2.973 5.193
462 HG3 GLN 33 HG3 GLN 33 -3.862 2.554 7.244
463 HE21 GLN 33 HE21 GLN 33 -8.723 3.629 7.100
464 HE21 GLN 33 HE21 GLN 33 -4.995 3.705 9.008
465 HE22 GLN 33 HE22 GLN 33 -8.796 2.222 8.100
466 HE22 GLN 33 HE22 GLN 33 -6.320 2.906 9.774
467 H PHE 34 H PHE 34 -2.220 2.882 5.766
468 H PHE 34 H PHE 34 -2.243 2.335 5.065
469 HA PHE 34 HA PHE 34 -2.128 2.049 2.999
470 HA PHE 34 HA PHE 34 -2.784 0.894 2.628
471 HB2 PHE 34 HB2 PHE 34 -0.437 1.609 5.421
472 HB2 PHE 34 HB2 PHE 34 -0.759 0.182 4.751
473 HB3 PHE 34 HB3 PHE 34 -0.305 0.463 4.089
474 HB3 PHE 34 HB3 PHE 34 -0.742 -0.275 3.051
475 HD1 PHE 34 HD1 PHE 34 1.280 3.115 5.436
476 HD1 PHE 34 HD1 PHE 34 0.960 1.604 5.251
477 HD2 PHE 34 HD2 PHE 34 -0.367 1.916 1.700
478 HD2 PHE 34 HD2 PHE 34 -1.100 2.082 1.556
479 HE1 PHE 34 HE1 PHE 34 2.808 4.654 4.273
480 HE1 PHE 34 HE1 PHE 34 2.339 3.578 4.741
481 HE2 PHE 34 HE2 PHE 34 1.158 3.451 0.531
482 HE2 PHE 34 HE2 PHE 34 0.276 4.056 1.041
483 HZ PHE 34 HZ PHE 34 2.749 4.823 1.818
484 HZ PHE 34 HZ PHE 34 1.998 4.805 2.633
485 H GLU 35 H GLU 35 -3.181 0.756 6.079
486 H GLU 35 H GLU 35 -3.245 0.416 6.062
487 HA GLU 35 HA GLU 35 -3.684 -1.875 4.964
488 HA GLU 35 HA GLU 35 -3.795 -2.362 5.971
489 HB2 GLU 35 HB2 GLU 35 -4.396 -2.490 7.197
490 HB2 GLU 35 HB2 GLU 35 -4.418 -0.188 7.954
491 HB3 GLU 35 HB3 GLU 35 -2.869 -1.624 7.284
492 HB3 GLU 35 HB3 GLU 35 -5.003 -1.830 8.187
493 HG2 GLU 35 HG2 GLU 35 -4.411 0.451 7.671
494 HG2 GLU 35 HG2 GLU 35 -2.759 -2.680 8.248
495 HG3 GLU 35 HG3 GLU 35 -5.584 -0.772 8.154
496 HG3 GLU 35 HG3 GLU 35 -2.106 -1.096 7.837
497 H ARG 36 H ARG 36 -5.782 -2.866 4.966
498 H ARG 36 H ARG 36 -5.609 -3.462 5.516
499 HA ARG 36 HA ARG 36 -7.805 -1.149 3.924
500 HA ARG 36 HA ARG 36 -7.647 -2.412 3.990
501 HB2 ARG 36 HB2 ARG 36 -7.515 -3.442 3.113
502 HB2 ARG 36 HB2 ARG 36 -7.192 -4.812 4.153
503 HB3 ARG 36 HB3 ARG 36 -7.932 -4.068 4.702
504 HB3 ARG 36 HB3 ARG 36 -7.767 -4.819 5.815
505 HG2 ARG 36 HG2 ARG 36 -10.099 -2.530 4.165
506 HG2 ARG 36 HG2 ARG 36 -9.979 -3.949 4.832
507 HG3 ARG 36 HG3 ARG 36 -9.655 -3.080 2.548
508 HG3 ARG 36 HG3 ARG 36 -9.331 -4.501 3.285
509 HD2 ARG 36 HD2 ARG 36 -9.663 -5.115 4.696
510 HD2 ARG 36 HD2 ARG 36 -9.168 -6.404 5.538
511 HD3 ARG 36 HD3 ARG 36 -11.231 -4.485 4.192
512 HD3 ARG 36 HD3 ARG 36 -10.782 -6.056 4.924
513 HE ARG 36 HE ARG 36 -9.903 -5.126 1.869
514 HE ARG 36 HE ARG 36 -8.856 -6.700 2.882
515 HH11 ARG 36 HH11 ARG 36 -10.937 -6.808 4.736
516 HH11 ARG 36 HH11 ARG 36 -11.195 -7.956 5.135
517 HH12 ARG 36 HH12 ARG 36 -11.153 -8.325 3.927
518 HH12 ARG 36 HH12 ARG 36 -11.459 -9.420 4.246
519 HH21 ARG 36 HH21 ARG 36 -10.183 -7.117 0.792
520 HH21 ARG 36 HH21 ARG 36 -9.198 -8.622 1.702
521 HH22 ARG 36 HH22 ARG 36 -10.723 -8.499 1.683
522 HH22 ARG 36 HH22 ARG 36 -10.323 -9.798 2.293
523 HA PRO 37 HA PRO 37 -9.769 -0.060 7.734
524 HA PRO 37 HA PRO 37 -9.742 -0.062 7.198
525 HB2 PRO 37 HB2 PRO 37 -12.060 0.934 6.674
526 HB2 PRO 37 HB2 PRO 37 -11.391 1.245 5.482
527 HB3 PRO 37 HB3 PRO 37 -10.523 1.803 6.624
528 HB3 PRO 37 HB3 PRO 37 -9.709 1.717 5.745
529 HG2 PRO 37 HG2 PRO 37 -11.842 0.161 4.496
530 HG2 PRO 37 HG2 PRO 37 -10.897 0.096 3.526
531 HG3 PRO 37 HG3 PRO 37 -11.021 1.726 4.353
532 HG3 PRO 37 HG3 PRO 37 -9.682 1.385 3.445
533 HD2 PRO 37 HD2 PRO 37 -9.832 -0.610 3.673
534 HD2 PRO 37 HD2 PRO 37 -9.030 -1.241 3.339
535 HD3 PRO 37 HD3 PRO 37 -8.925 0.767 4.332
536 HD3 PRO 37 HD3 PRO 37 -7.965 -0.021 4.067
537 H SER 38 H SER 38 -12.030 -0.331 8.725
538 H SER 38 H SER 38 -11.212 -1.086 8.396
539 HA SER 38 HA SER 38 -12.742 -3.131 8.481
540 HA SER 38 HA SER 38 -13.263 -2.719 7.124
541 HB2 SER 38 HB2 SER 38 -14.226 -2.619 10.453
542 HB2 SER 38 HB2 SER 38 -11.969 -3.612 9.053
543 HB3 SER 38 HB3 SER 38 -12.514 -2.290 10.721
544 HB3 SER 38 HB3 SER 38 -12.664 -2.350 10.070
545 HG SER 38 HG SER 38 -12.891 -0.154 10.633
546 HG SER 38 HG SER 38 -14.584 -3.321 10.001
547 H GLY 39 H GLY 39 -14.668 -0.125 8.658
548 H GLY 39 H GLY 39 -15.487 -2.640 8.229
549 HA2 GLY 39 HA2 GLY 39 -16.370 0.539 7.186
550 HA2 GLY 39 HA2 GLY 39 -16.487 -0.389 9.509
551 HA3 GLY 39 HA3 GLY 39 -16.296 -1.041 6.419
552 HA3 GLY 39 HA3 GLY 39 -16.580 -0.057 7.786
Start of MODEL 10
1 H1 SER 5 H SER 5 -12.189 -7.019 -4.937
2 H1 SER 5 H SER 5 -13.561 -6.984 -5.164
3 HA SER 5 HA SER 5 -12.049 -5.027 -3.848
4 HA SER 5 HA SER 5 -12.568 -4.858 -3.675
5 HB2 SER 5 HB2 SER 5 -13.260 -3.073 -5.275
6 HB2 SER 5 HB2 SER 5 -13.999 -3.461 -5.356
7 HB3 SER 5 HB3 SER 5 -11.637 -3.667 -5.627
8 HB3 SER 5 HB3 SER 5 -12.672 -4.450 -5.968
9 HG SER 5 HG SER 5 -12.350 -4.567 -7.399
10 HG SER 5 HG SER 5 -14.088 -5.900 -6.750
11 H LYS 6 H LYS 6 -13.206 -4.980 -2.040
12 H LYS 6 H LYS 6 -14.405 -6.303 -2.055
13 HA LYS 6 HA LYS 6 -16.030 -4.212 -2.212
14 HA LYS 6 HA LYS 6 -16.787 -4.690 -1.776
15 HB2 LYS 6 HB2 LYS 6 -14.893 -6.638 -0.885
16 HB2 LYS 6 HB2 LYS 6 -15.773 -6.786 0.142
17 HB3 LYS 6 HB3 LYS 6 -16.280 -5.842 -0.154
18 HB3 LYS 6 HB3 LYS 6 -17.422 -6.202 -0.041
19 HG2 LYS 6 HG2 LYS 6 -17.562 -6.147 -2.186
20 HG2 LYS 6 HG2 LYS 6 -17.607 -7.256 -2.198
21 HG3 LYS 6 HG3 LYS 6 -16.161 -6.866 -2.984
22 HG3 LYS 6 HG3 LYS 6 -15.909 -7.739 -2.142
23 HD2 LYS 6 HD2 LYS 6 -16.517 -8.295 -0.593
24 HD2 LYS 6 HD2 LYS 6 -17.938 -8.612 -0.095
25 HD3 LYS 6 HD3 LYS 6 -18.126 -8.103 -1.291
26 HD3 LYS 6 HD3 LYS 6 -17.589 -9.535 -1.559
27 HE2 LYS 6 HE2 LYS 6 -17.311 -9.013 -3.411
28 HE2 LYS 6 HE2 LYS 6 -15.233 -9.685 -0.885
29 HE3 LYS 6 HE3 LYS 6 -15.701 -9.197 -2.716
30 HE3 LYS 6 HE3 LYS 6 -15.601 -8.784 0.587
31 HZ1 LYS 6 HZ1 LYS 6 -17.337 -10.492 -0.962
32 HZ1 LYS 6 HZ1 LYS 6 -16.038 -10.726 1.530
33 HZ2 LYS 6 HZ2 LYS 6 -16.362 -11.223 -2.135
34 HZ2 LYS 6 HZ2 LYS 6 -15.916 -11.555 0.060
35 HZ3 LYS 6 HZ3 LYS 6 -17.987 -10.896 -2.472
36 HZ3 LYS 6 HZ3 LYS 6 -17.394 -10.874 0.525
37 H LEU 7 H LEU 7 -15.760 -2.184 -1.412
38 H LEU 7 H LEU 7 -15.079 -2.814 -1.557
39 HA LEU 7 HA LEU 7 -14.769 -1.995 1.349
40 HA LEU 7 HA LEU 7 -13.987 -2.492 1.092
41 HB2 LEU 7 HB2 LEU 7 -14.388 0.400 -0.297
42 HB2 LEU 7 HB2 LEU 7 -13.907 -1.036 -1.462
43 HB3 LEU 7 HB3 LEU 7 -13.327 -0.336 0.904
44 HB3 LEU 7 HB3 LEU 7 -13.813 -0.028 -0.018
45 HG LEU 7 HG LEU 7 -13.632 -1.335 -1.926
46 HG LEU 7 HG LEU 7 -11.814 -1.153 0.702
47 HD11 LEU 7 HD11 LEU 7 -11.380 0.306 -0.785
48 HD11 LEU 7 HD11 LEU 7 -10.976 -2.778 -1.345
49 HD12 LEU 7 HD12 LEU 7 -12.681 0.969 -1.773
50 HD12 LEU 7 HD12 LEU 7 -12.692 -3.163 -1.213
51 HD13 LEU 7 HD13 LEU 7 -11.584 -0.233 -2.451
52 HD13 LEU 7 HD13 LEU 7 -11.644 -3.318 0.195
53 HD21 LEU 7 HD21 LEU 7 -12.305 -2.324 0.455
54 HD21 LEU 7 HD21 LEU 7 -11.985 0.000 -2.010
55 HD22 LEU 7 HD22 LEU 7 -11.184 -2.095 -0.885
56 HD22 LEU 7 HD22 LEU 7 -10.494 -0.857 -1.618
57 HD23 LEU 7 HD23 LEU 7 -12.602 -3.123 -1.088
58 HD23 LEU 7 HD23 LEU 7 -11.022 0.500 -0.620
59 HA PRO 8 HA PRO 8 -18.500 0.131 2.262
60 HA PRO 8 HA PRO 8 -17.348 -0.463 3.054
61 HB2 PRO 8 HB2 PRO 8 -17.677 1.821 4.221
62 HB2 PRO 8 HB2 PRO 8 -16.047 1.314 4.641
63 HB3 PRO 8 HB3 PRO 8 -17.850 0.078 4.465
64 HB3 PRO 8 HB3 PRO 8 -16.062 -0.424 4.958
65 HG2 PRO 8 HG2 PRO 8 -15.381 1.677 3.911
66 HG2 PRO 8 HG2 PRO 8 -13.947 1.244 3.654
67 HG3 PRO 8 HG3 PRO 8 -15.621 0.351 5.065
68 HG3 PRO 8 HG3 PRO 8 -13.771 -0.052 4.850
69 HD2 PRO 8 HD2 PRO 8 -14.424 -0.007 2.663
70 HD2 PRO 8 HD2 PRO 8 -13.338 -0.441 2.205
71 HD3 PRO 8 HD3 PRO 8 -15.399 -1.270 3.442
72 HD3 PRO 8 HD3 PRO 8 -13.978 -1.713 3.265
73 HA PRO 9 HA PRO 9 -18.818 4.011 0.219
74 HA PRO 9 HA PRO 9 -18.435 3.328 1.111
75 HB2 PRO 9 HB2 PRO 9 -20.593 5.376 1.752
76 HB2 PRO 9 HB2 PRO 9 -19.768 4.656 3.068
77 HB3 PRO 9 HB3 PRO 9 -21.057 4.011 0.731
78 HB3 PRO 9 HB3 PRO 9 -20.433 3.243 2.242
79 HG2 PRO 9 HG2 PRO 9 -20.517 4.079 3.675
80 HG2 PRO 9 HG2 PRO 9 -19.081 3.420 4.907
81 HG3 PRO 9 HG3 PRO 9 -21.816 3.252 2.794
82 HG3 PRO 9 HG3 PRO 9 -20.531 2.510 4.447
83 HD2 PRO 9 HD2 PRO 9 -19.606 1.962 3.679
84 HD2 PRO 9 HD2 PRO 9 -18.097 1.348 4.681
85 HD3 PRO 9 HD3 PRO 9 -20.458 1.488 2.196
86 HD3 PRO 9 HD3 PRO 9 -19.311 0.793 3.511
87 H GLY 10 H GLY 10 -16.883 5.083 0.318
88 H GLY 10 H GLY 10 -17.449 5.206 0.636
89 HA2 GLY 10 HA2 GLY 10 -16.421 7.466 1.273
90 HA2 GLY 10 HA2 GLY 10 -16.355 7.231 1.001
91 HA3 GLY 10 HA3 GLY 10 -16.232 6.563 2.768
92 HA3 GLY 10 HA3 GLY 10 -16.280 6.852 2.716
93 H TRP 11 H TRP 11 -15.057 4.261 1.293
94 H TRP 11 H TRP 11 -15.133 4.835 0.055
95 HA TRP 11 HA TRP 11 -12.354 5.380 1.042
96 HA TRP 11 HA TRP 11 -12.365 5.496 0.672
97 HB2 TRP 11 HB2 TRP 11 -13.375 2.630 1.727
98 HB2 TRP 11 HB2 TRP 11 -13.573 2.761 1.080
99 HB3 TRP 11 HB3 TRP 11 -11.698 2.904 1.262
100 HB3 TRP 11 HB3 TRP 11 -11.846 3.001 0.839
101 HD1 TRP 11 HD1 TRP 11 -14.081 3.258 4.165
102 HD1 TRP 11 HD1 TRP 11 -14.600 3.454 3.423
103 HE1 TRP 11 HE1 TRP 11 -12.796 4.103 6.230
104 HE1 TRP 11 HE1 TRP 11 -13.532 4.055 5.686
105 HE3 TRP 11 HE3 TRP 11 -9.649 4.468 1.922
106 HE3 TRP 11 HE3 TRP 11 -9.780 4.185 1.880
107 HZ2 TRP 11 HZ2 TRP 11 -10.242 5.149 6.826
108 HZ2 TRP 11 HZ2 TRP 11 -10.985 4.748 6.685
109 HZ3 TRP 11 HZ3 TRP 11 -7.838 5.386 3.308
110 HZ3 TRP 11 HZ3 TRP 11 -8.089 4.816 3.553
111 HH2 TRP 11 HH2 TRP 11 -8.130 5.720 5.710
112 HH2 TRP 11 HH2 TRP 11 -8.682 5.092 5.905
113 H GLU 12 H GLU 12 -11.353 5.428 -0.863
114 H GLU 12 H GLU 12 -10.928 5.034 -0.989
115 HA GLU 12 HA GLU 12 -12.429 3.767 -3.046
116 HA GLU 12 HA GLU 12 -12.035 3.792 -3.407
117 HB2 GLU 12 HB2 GLU 12 -13.067 5.935 -3.652
118 HB2 GLU 12 HB2 GLU 12 -10.559 6.429 -3.304
119 HB3 GLU 12 HB3 GLU 12 -11.581 6.646 -3.035
120 HB3 GLU 12 HB3 GLU 12 -10.957 5.562 -4.781
121 HG2 GLU 12 HG2 GLU 12 -10.348 5.991 -4.888
122 HG2 GLU 12 HG2 GLU 12 -13.016 6.504 -2.804
123 HG3 GLU 12 HG3 GLU 12 -11.525 4.768 -5.360
124 HG3 GLU 12 HG3 GLU 12 -12.490 7.448 -4.196
125 H LYS 13 H LYS 13 -11.020 2.482 -4.046
126 H LYS 13 H LYS 13 -10.587 2.655 -4.648
127 HA LYS 13 HA LYS 13 -8.370 2.197 -3.122
128 HA LYS 13 HA LYS 13 -8.033 2.070 -3.368
129 HB2 LYS 13 HB2 LYS 13 -9.887 0.452 -4.246
130 HB2 LYS 13 HB2 LYS 13 -9.427 0.179 -4.005
131 HB3 LYS 13 HB3 LYS 13 -9.361 1.159 -5.770
132 HB3 LYS 13 HB3 LYS 13 -9.468 0.738 -5.672
133 HG2 LYS 13 HG2 LYS 13 -7.097 0.557 -5.359
134 HG2 LYS 13 HG2 LYS 13 -6.953 0.471 -5.683
135 HG3 LYS 13 HG3 LYS 13 -7.464 0.081 -3.699
136 HG3 LYS 13 HG3 LYS 13 -7.136 -0.383 -4.150
137 HD2 LYS 13 HD2 LYS 13 -9.172 -1.526 -4.970
138 HD2 LYS 13 HD2 LYS 13 -8.906 -1.273 -6.334
139 HD3 LYS 13 HD3 LYS 13 -7.966 -1.352 -6.248
140 HD3 LYS 13 HD3 LYS 13 -7.186 -1.592 -6.563
141 HE2 LYS 13 HE2 LYS 13 -7.281 -3.236 -5.036
142 HE2 LYS 13 HE2 LYS 13 -8.439 -2.252 -3.942
143 HE3 LYS 13 HE3 LYS 13 -6.240 -1.935 -4.463
144 HE3 LYS 13 HE3 LYS 13 -8.743 -3.313 -5.317
145 HZ1 LYS 13 HZ1 LYS 13 -8.689 -2.887 -3.080
146 HZ1 LYS 13 HZ1 LYS 13 -6.402 -3.067 -3.713
147 HZ2 LYS 13 HZ2 LYS 13 -7.626 -1.698 -2.520
148 HZ2 LYS 13 HZ2 LYS 13 -6.040 -2.864 -5.353
149 HZ3 LYS 13 HZ3 LYS 13 -7.107 -3.304 -2.649
150 HZ3 LYS 13 HZ3 LYS 13 -6.817 -4.270 -4.825
151 H ARG 14 H ARG 14 -6.397 2.679 -4.087
152 H ARG 14 H ARG 14 -6.411 3.382 -3.909
153 HA ARG 14 HA ARG 14 -6.365 4.269 -6.521
154 HA ARG 14 HA ARG 14 -6.140 4.178 -6.732
155 HB2 ARG 14 HB2 ARG 14 -5.952 5.369 -3.826
156 HB2 ARG 14 HB2 ARG 14 -4.947 5.535 -4.308
157 HB3 ARG 14 HB3 ARG 14 -4.675 5.766 -4.970
158 HB3 ARG 14 HB3 ARG 14 -4.888 6.110 -5.969
159 HG2 ARG 14 HG2 ARG 14 -6.754 6.364 -6.502
160 HG2 ARG 14 HG2 ARG 14 -7.607 5.650 -5.091
161 HG3 ARG 14 HG3 ARG 14 -7.515 6.601 -4.928
162 HG3 ARG 14 HG3 ARG 14 -6.755 6.787 -4.044
163 HD2 ARG 14 HD2 ARG 14 -6.324 8.457 -4.495
164 HD2 ARG 14 HD2 ARG 14 -7.049 6.972 -7.040
165 HD3 ARG 14 HD3 ARG 14 -4.845 7.783 -5.176
166 HD3 ARG 14 HD3 ARG 14 -7.865 7.974 -5.842
167 HE ARG 14 HE ARG 14 -6.833 8.515 -7.130
168 HE ARG 14 HE ARG 14 -5.128 8.235 -5.423
169 HH11 ARG 14 HH11 ARG 14 -4.102 9.576 -5.249
170 HH11 ARG 14 HH11 ARG 14 -7.473 8.969 -7.887
171 HH12 ARG 14 HH12 ARG 14 -3.689 10.864 -6.334
172 HH12 ARG 14 HH12 ARG 14 -6.599 10.335 -8.495
173 HH21 ARG 14 HH21 ARG 14 -6.300 10.205 -8.566
174 HH21 ARG 14 HH21 ARG 14 -3.967 10.030 -6.213
175 HH22 ARG 14 HH22 ARG 14 -4.941 11.221 -8.221
176 HH22 ARG 14 HH22 ARG 14 -4.605 10.938 -7.542
177 H MET 15 H MET 15 -4.066 4.782 -7.174
178 H MET 15 H MET 15 -3.830 4.536 -7.420
179 HA MET 15 HA MET 15 -2.252 2.634 -6.292
180 HA MET 15 HA MET 15 -1.991 2.643 -6.129
181 HB2 MET 15 HB2 MET 15 -3.397 2.877 -8.803
182 HB2 MET 15 HB2 MET 15 -2.877 1.409 -7.973
183 HB3 MET 15 HB3 MET 15 -1.795 3.569 -9.015
184 HB3 MET 15 HB3 MET 15 -2.693 2.778 -9.060
185 HG2 MET 15 HG2 MET 15 -0.997 1.416 -7.799
186 HG2 MET 15 HG2 MET 15 -0.481 2.416 -9.375
187 HG3 MET 15 HG3 MET 15 -2.574 0.789 -8.277
188 HG3 MET 15 HG3 MET 15 -0.245 1.757 -7.757
189 HE1 MET 15 HE1 MET 15 0.930 0.020 -9.949
190 HE1 MET 15 HE1 MET 15 0.774 -0.971 -10.577
191 HE2 MET 15 HE2 MET 15 1.137 1.685 -10.495
192 HE2 MET 15 HE2 MET 15 0.743 0.773 -10.838
193 HE3 MET 15 HE3 MET 15 0.786 1.350 -8.799
194 HE3 MET 15 HE3 MET 15 1.442 0.115 -9.358
195 H SER 16 H SER 16 0.076 3.131 -7.027
196 H SER 16 H SER 16 0.019 3.403 -5.870
197 HA SER 16 HA SER 16 0.631 5.974 -6.477
198 HA SER 16 HA SER 16 0.664 6.076 -6.283
199 HB2 SER 16 HB2 SER 16 1.299 4.025 -4.800
200 HB2 SER 16 HB2 SER 16 1.820 4.016 -4.926
201 HB3 SER 16 HB3 SER 16 2.677 3.880 -5.892
202 HB3 SER 16 HB3 SER 16 2.956 4.215 -6.260
203 HG SER 16 HG SER 16 3.459 5.472 -4.771
204 HG SER 16 HG SER 16 2.120 6.186 -4.400
205 H ARG 17 H ARG 17 2.147 7.029 -7.700
206 H ARG 17 H ARG 17 2.683 6.781 -7.549
207 HA ARG 17 HA ARG 17 2.983 5.643 -10.144
208 HA ARG 17 HA ARG 17 2.531 5.658 -10.270
209 HB2 ARG 17 HB2 ARG 17 3.434 7.974 -10.980
210 HB2 ARG 17 HB2 ARG 17 3.033 8.537 -9.495
211 HB3 ARG 17 HB3 ARG 17 1.750 7.625 -10.614
212 HB3 ARG 17 HB3 ARG 17 2.957 7.906 -11.135
213 HG2 ARG 17 HG2 ARG 17 1.962 8.789 -8.482
214 HG2 ARG 17 HG2 ARG 17 0.630 7.409 -10.907
215 HG3 ARG 17 HG3 ARG 17 3.658 9.129 -8.837
216 HG3 ARG 17 HG3 ARG 17 0.666 7.808 -9.189
217 HD2 ARG 17 HD2 ARG 17 1.219 10.160 -10.267
218 HD2 ARG 17 HD2 ARG 17 -0.297 9.586 -10.670
219 HD3 ARG 17 HD3 ARG 17 2.431 11.086 -9.383
220 HD3 ARG 17 HD3 ARG 17 1.043 10.111 -9.651
221 HE ARG 17 HE ARG 17 3.824 9.842 -11.380
222 HE ARG 17 HE ARG 17 2.045 9.302 -12.147
223 HH11 ARG 17 HH11 ARG 17 1.083 11.982 -11.234
224 HH11 ARG 17 HH11 ARG 17 0.150 11.842 -10.712
225 HH12 ARG 17 HH12 ARG 17 1.406 12.713 -12.770
226 HH12 ARG 17 HH12 ARG 17 0.619 13.032 -11.883
227 HH21 ARG 17 HH21 ARG 17 4.261 10.797 -13.405
228 HH21 ARG 17 HH21 ARG 17 2.670 10.857 -13.694
229 HH22 ARG 17 HH22 ARG 17 3.213 12.037 -14.005
230 HH22 ARG 17 HH22 ARG 17 2.050 12.469 -13.578
231 H ASN 18 H ASN 18 4.202 6.530 -7.175
232 H ASN 18 H ASN 18 4.550 6.788 -7.683
233 HA ASN 18 HA ASN 18 6.951 6.674 -8.230
234 HA ASN 18 HA ASN 18 6.982 6.795 -9.218
235 HB2 ASN 18 HB2 ASN 18 5.773 8.594 -6.743
236 HB2 ASN 18 HB2 ASN 18 6.595 6.809 -6.216
237 HB3 ASN 18 HB3 ASN 18 6.426 7.583 -5.456
238 HB3 ASN 18 HB3 ASN 18 8.091 7.178 -7.069
239 HD21 ASN 18 HD21 ASN 18 8.746 6.684 -6.621
240 HD21 ASN 18 HD21 ASN 18 7.442 9.059 -5.454
241 HD22 ASN 18 HD22 ASN 18 9.817 8.015 -6.865
242 HD22 ASN 18 HD22 ASN 18 6.691 10.405 -6.232
243 H SER 19 H SER 19 5.524 4.240 -7.771
244 H SER 19 H SER 19 5.607 4.691 -6.696
245 HA SER 19 HA SER 19 7.447 2.805 -6.296
246 HA SER 19 HA SER 19 7.566 2.627 -7.424
247 HB2 SER 19 HB2 SER 19 5.294 3.909 -4.736
248 HB2 SER 19 HB2 SER 19 6.916 1.554 -5.277
249 HB3 SER 19 HB3 SER 19 5.201 2.148 -4.721
250 HB3 SER 19 HB3 SER 19 7.543 3.186 -5.055
251 HG SER 19 HG SER 19 6.753 3.590 -3.252
252 HG SER 19 HG SER 19 5.716 3.685 -4.173
253 H GLY 20 H GLY 20 3.909 2.514 -6.686
254 H GLY 20 H GLY 20 4.161 2.706 -6.342
255 HA2 GLY 20 HA2 GLY 20 3.218 1.159 -8.697
256 HA2 GLY 20 HA2 GLY 20 2.514 1.876 -8.037
257 HA3 GLY 20 HA3 GLY 20 4.402 -0.012 -8.135
258 HA3 GLY 20 HA3 GLY 20 3.627 0.539 -8.278
259 H ARG 21 H ARG 21 3.743 0.386 -5.318
260 H ARG 21 H ARG 21 2.968 1.897 -5.124
261 HA ARG 21 HA ARG 21 1.846 -1.626 -4.987
262 HA ARG 21 HA ARG 21 1.951 -0.693 -4.262
263 HB2 ARG 21 HB2 ARG 21 2.551 0.532 -2.991
264 HB2 ARG 21 HB2 ARG 21 3.264 1.597 -2.988
265 HB3 ARG 21 HB3 ARG 21 1.844 -1.036 -2.628
266 HB3 ARG 21 HB3 ARG 21 1.946 0.926 -2.037
267 HG2 ARG 21 HG2 ARG 21 3.818 -2.089 -2.717
268 HG2 ARG 21 HG2 ARG 21 3.058 -0.985 -1.594
269 HG3 ARG 21 HG3 ARG 21 4.368 -1.156 -4.110
270 HG3 ARG 21 HG3 ARG 21 3.842 -1.022 -3.174
271 HD2 ARG 21 HD2 ARG 21 5.656 -0.814 -1.963
272 HD2 ARG 21 HD2 ARG 21 5.357 -0.638 -1.188
273 HD3 ARG 21 HD3 ARG 21 5.062 0.646 -2.752
274 HD3 ARG 21 HD3 ARG 21 5.488 0.530 -2.502
275 HE ARG 21 HE ARG 21 3.209 -0.297 -0.819
276 HE ARG 21 HE ARG 21 4.823 2.153 -1.049
277 HH11 ARG 21 HH11 ARG 21 6.241 1.381 -1.158
278 HH11 ARG 21 HH11 ARG 21 3.826 -0.937 0.207
279 HH12 ARG 21 HH12 ARG 21 6.069 2.260 0.326
280 HH12 ARG 21 HH12 ARG 21 3.236 -0.286 1.701
281 HH21 ARG 21 HH21 ARG 21 2.972 0.855 1.136
282 HH21 ARG 21 HH21 ARG 21 4.050 3.021 0.913
283 HH22 ARG 21 HH22 ARG 21 4.209 1.959 1.630
284 HH22 ARG 21 HH22 ARG 21 3.363 1.966 2.101
285 H VAL 22 H VAL 22 -0.096 -1.072 -3.321
286 H VAL 22 H VAL 22 -0.139 -1.115 -4.040
287 HA VAL 22 HA VAL 22 -1.669 1.107 -4.527
288 HA VAL 22 HA VAL 22 -2.121 0.889 -4.524
289 HB VAL 22 HB VAL 22 -3.685 -0.461 -4.123
290 HB VAL 22 HB VAL 22 -2.415 -1.978 -3.622
291 HG11 VAL 22 HG11 VAL 22 -1.692 -0.671 -6.348
292 HG11 VAL 22 HG11 VAL 22 -4.504 -0.040 -4.611
293 HG12 VAL 22 HG12 VAL 22 -3.172 -1.632 -6.368
294 HG12 VAL 22 HG12 VAL 22 -4.762 -1.759 -4.299
295 HG13 VAL 22 HG13 VAL 22 -3.264 0.129 -6.329
296 HG13 VAL 22 HG13 VAL 22 -4.361 -0.670 -2.971
297 HG21 VAL 22 HG21 VAL 22 -1.664 -2.631 -4.556
298 HG21 VAL 22 HG21 VAL 22 -2.120 -2.553 -5.747
299 HG22 VAL 22 HG22 VAL 22 -2.112 -2.127 -2.927
300 HG22 VAL 22 HG22 VAL 22 -3.360 -1.412 -6.269
301 HG23 VAL 22 HG23 VAL 22 -3.340 -2.761 -4.023
302 HG23 VAL 22 HG23 VAL 22 -1.685 -0.881 -6.105
303 H TYR 23 H TYR 23 -3.626 1.648 -3.178
304 H TYR 23 H TYR 23 -3.484 1.899 -3.126
305 HA TYR 23 HA TYR 23 -3.602 0.970 -0.399
306 HA TYR 23 HA TYR 23 -3.472 1.164 -0.307
307 HB2 TYR 23 HB2 TYR 23 -3.066 3.190 0.475
308 HB2 TYR 23 HB2 TYR 23 -2.970 3.454 0.426
309 HB3 TYR 23 HB3 TYR 23 -1.713 2.545 -0.448
310 HB3 TYR 23 HB3 TYR 23 -1.633 2.773 -0.493
311 HD1 TYR 23 HD1 TYR 23 -3.830 5.335 0.035
312 HD1 TYR 23 HD1 TYR 23 -0.931 3.747 -2.558
313 HD2 TYR 23 HD2 TYR 23 -1.579 3.295 -2.944
314 HD2 TYR 23 HD2 TYR 23 -4.429 5.176 -0.602
315 HE1 TYR 23 HE1 TYR 23 -3.803 7.379 -1.338
316 HE1 TYR 23 HE1 TYR 23 -0.970 5.693 -4.061
317 HE2 TYR 23 HE2 TYR 23 -1.544 5.332 -4.322
318 HE2 TYR 23 HE2 TYR 23 -4.478 7.126 -2.101
319 HH TYR 23 HH TYR 23 -1.914 8.170 -3.421
320 HH TYR 23 HH TYR 23 -3.660 7.865 -4.187
321 H TYR 24 H TYR 24 -5.152 2.541 0.820
322 H TYR 24 H TYR 24 -4.936 2.950 0.871
323 HA TYR 24 HA TYR 24 -7.470 2.967 -0.941
324 HA TYR 24 HA TYR 24 -7.295 3.399 -0.835
325 HB2 TYR 24 HB2 TYR 24 -7.524 2.705 2.066
326 HB2 TYR 24 HB2 TYR 24 -7.448 2.622 2.078
327 HB3 TYR 24 HB3 TYR 24 -8.876 2.584 0.947
328 HB3 TYR 24 HB3 TYR 24 -8.758 2.682 0.903
329 HD1 TYR 24 HD1 TYR 24 -5.847 0.876 2.183
330 HD1 TYR 24 HD1 TYR 24 -6.446 0.586 2.546
331 HD2 TYR 24 HD2 TYR 24 -9.387 0.530 -0.153
332 HD2 TYR 24 HD2 TYR 24 -8.504 1.066 -1.146
333 HE1 TYR 24 HE1 TYR 24 -5.537 -1.562 2.085
334 HE1 TYR 24 HE1 TYR 24 -6.101 -1.798 2.051
335 HE2 TYR 24 HE2 TYR 24 -9.088 -1.909 -0.256
336 HE2 TYR 24 HE2 TYR 24 -8.166 -1.317 -1.652
337 HH TYR 24 HH TYR 24 -6.622 -3.474 0.066
338 HH TYR 24 HH TYR 24 -6.006 -3.270 0.062
339 H PHE 25 H PHE 25 -8.575 4.885 -0.939
340 H PHE 25 H PHE 25 -8.293 5.334 -0.647
341 HA PHE 25 HA PHE 25 -7.404 7.075 0.648
342 HA PHE 25 HA PHE 25 -7.387 7.144 1.488
343 HB2 PHE 25 HB2 PHE 25 -6.772 7.287 -1.711
344 HB2 PHE 25 HB2 PHE 25 -6.203 7.892 -0.431
345 HB3 PHE 25 HB3 PHE 25 -8.469 7.211 -2.181
346 HB3 PHE 25 HB3 PHE 25 -7.616 7.709 -1.465
347 HD1 PHE 25 HD1 PHE 25 -9.410 9.211 -2.759
348 HD1 PHE 25 HD1 PHE 25 -9.018 9.515 -1.870
349 HD2 PHE 25 HD2 PHE 25 -6.377 9.158 0.226
350 HD2 PHE 25 HD2 PHE 25 -6.311 9.661 1.411
351 HE1 PHE 25 HE1 PHE 25 -9.577 11.656 -2.551
352 HE1 PHE 25 HE1 PHE 25 -9.592 11.880 -1.507
353 HE2 PHE 25 HE2 PHE 25 -6.540 11.603 0.440
354 HE2 PHE 25 HE2 PHE 25 -6.881 12.025 1.781
355 HZ PHE 25 HZ PHE 25 -8.140 12.858 -0.950
356 HZ PHE 25 HZ PHE 25 -8.523 13.138 0.321
357 H ASN 26 H ASN 26 -8.802 7.817 2.089
358 H ASN 26 H ASN 26 -8.904 8.569 2.301
359 HA ASN 26 HA ASN 26 -11.657 7.409 1.701
360 HA ASN 26 HA ASN 26 -11.679 7.981 1.540
361 HB2 ASN 26 HB2 ASN 26 -10.699 6.839 3.877
362 HB2 ASN 26 HB2 ASN 26 -10.824 7.645 3.942
363 HB3 ASN 26 HB3 ASN 26 -10.113 8.488 4.070
364 HB3 ASN 26 HB3 ASN 26 -10.818 9.402 4.053
365 HD21 ASN 26 HD21 ASN 26 -12.760 6.358 4.384
366 HD21 ASN 26 HD21 ASN 26 -12.420 7.312 5.421
367 HD22 ASN 26 HD22 ASN 26 -13.902 7.500 4.998
368 HD22 ASN 26 HD22 ASN 26 -14.066 7.768 5.165
369 H HIS 27 H HIS 27 -12.717 8.897 0.570
370 H HIS 27 H HIS 27 -12.826 9.464 0.497
371 HA HIS 27 HA HIS 27 -11.812 11.665 0.560
372 HA HIS 27 HA HIS 27 -11.714 12.078 0.000
373 HB2 HIS 27 HB2 HIS 27 -13.429 11.990 -1.236
374 HB2 HIS 27 HB2 HIS 27 -13.799 12.379 -1.376
375 HB3 HIS 27 HB3 HIS 27 -12.427 10.582 -1.571
376 HB3 HIS 27 HB3 HIS 27 -12.805 11.004 -1.843
377 HD1 HIS 27 HD1 HIS 27 -14.878 10.518 -3.120
378 HD1 HIS 27 HD1 HIS 27 -16.081 11.859 -0.229
379 HD2 HIS 27 HD2 HIS 27 -14.833 9.194 0.818
380 HD2 HIS 27 HD2 HIS 27 -13.999 8.511 -1.543
381 HE1 HIS 27 HE1 HIS 27 -16.869 8.998 -2.899
382 HE1 HIS 27 HE1 HIS 27 -17.742 9.969 -0.176
383 H ILE 28 H ILE 28 -12.703 10.968 3.045
384 H ILE 28 H ILE 28 -13.900 10.696 2.238
385 HA ILE 28 HA ILE 28 -15.142 12.586 3.263
386 HA ILE 28 HA ILE 28 -15.317 13.151 2.805
387 HB ILE 28 HB ILE 28 -14.662 9.923 4.588
388 HB ILE 28 HB ILE 28 -15.299 10.519 4.284
389 HG12 ILE 28 HG12 ILE 28 -15.772 10.059 2.322
390 HG12 ILE 28 HG12 ILE 28 -17.285 11.715 2.340
391 HG13 ILE 28 HG13 ILE 28 -16.727 9.277 3.576
392 HG13 ILE 28 HG13 ILE 28 -16.233 10.339 2.030
393 HG21 ILE 28 HG21 ILE 28 -16.160 12.254 5.553
394 HG21 ILE 28 HG21 ILE 28 -17.643 12.038 4.771
395 HG22 ILE 28 HG22 ILE 28 -17.066 10.742 5.553
396 HG22 ILE 28 HG22 ILE 28 -16.409 11.525 5.919
397 HG23 ILE 28 HG23 ILE 28 -15.543 10.856 6.432
398 HG23 ILE 28 HG23 ILE 28 -16.248 13.070 5.084
399 HD11 ILE 28 HD11 ILE 28 -17.516 11.348 1.905
400 HD11 ILE 28 HD11 ILE 28 -18.342 9.434 2.489
401 HD12 ILE 28 HD12 ILE 28 -18.370 10.736 3.322
402 HD12 ILE 28 HD12 ILE 28 -17.407 9.199 3.966
403 HD13 ILE 28 HD13 ILE 28 -17.267 12.103 3.480
404 HD13 ILE 28 HD13 ILE 28 -18.593 10.502 3.870
405 H THR 29 H THR 29 -12.324 11.199 4.881
406 H THR 29 H THR 29 -12.930 11.110 4.473
407 HA THR 29 HA THR 29 -12.325 13.521 6.698
408 HA THR 29 HA THR 29 -12.552 13.149 6.516
409 HB THR 29 HB THR 29 -10.833 11.328 7.809
410 HB THR 29 HB THR 29 -10.708 11.347 7.194
411 HG1 THR 29 HG1 THR 29 -12.289 9.984 6.690
412 HG1 THR 29 HG1 THR 29 -11.049 9.400 6.352
413 HG21 THR 29 HG21 THR 29 -13.060 13.139 8.590
414 HG21 THR 29 HG21 THR 29 -12.808 10.061 8.241
415 HG22 THR 29 HG22 THR 29 -11.501 12.862 9.370
416 HG22 THR 29 HG22 THR 29 -13.622 11.528 7.699
417 HG23 THR 29 HG23 THR 29 -12.800 11.684 9.551
418 HG23 THR 29 HG23 THR 29 -12.268 11.635 8.824
419 H ASN 30 H ASN 30 -11.011 13.122 4.083
420 H ASN 30 H ASN 30 -11.136 12.134 3.566
421 HA ASN 30 HA ASN 30 -8.975 13.335 3.071
422 HA ASN 30 HA ASN 30 -9.360 12.900 2.367
423 HB2 ASN 30 HB2 ASN 30 -8.786 15.012 5.549
424 HB2 ASN 30 HB2 ASN 30 -10.282 15.119 3.373
425 HB3 ASN 30 HB3 ASN 30 -7.389 14.865 4.488
426 HB3 ASN 30 HB3 ASN 30 -8.869 15.036 4.421
427 HD21 ASN 30 HD21 ASN 30 -7.654 15.498 2.260
428 HD21 ASN 30 HD21 ASN 30 -6.787 14.547 3.166
429 HD22 ASN 30 HD22 ASN 30 -8.788 16.736 1.856
430 HD22 ASN 30 HD22 ASN 30 -6.549 15.473 1.728
431 H ALA 31 H ALA 31 -9.275 10.927 4.564
432 H ALA 31 H ALA 31 -8.650 10.769 3.582
433 HA ALA 31 HA ALA 31 -6.654 10.501 5.797
434 HA ALA 31 HA ALA 31 -5.917 11.246 4.407
435 HB1 ALA 31 HB1 ALA 31 -7.768 9.157 7.162
436 HB1 ALA 31 HB1 ALA 31 -7.276 11.371 6.508
437 HB2 ALA 31 HB2 ALA 31 -9.254 9.456 6.261
438 HB2 ALA 31 HB2 ALA 31 -7.711 9.682 6.252
439 HB3 ALA 31 HB3 ALA 31 -8.196 8.121 5.800
440 HB3 ALA 31 HB3 ALA 31 -6.025 10.129 6.506
441 H SER 32 H SER 32 -5.381 8.623 5.204
442 H SER 32 H SER 32 -4.590 9.391 4.256
443 HA SER 32 HA SER 32 -5.898 7.272 2.725
444 HA SER 32 HA SER 32 -5.837 7.153 2.796
445 HB2 SER 32 HB2 SER 32 -3.435 9.009 2.753
446 HB2 SER 32 HB2 SER 32 -4.021 8.779 1.721
447 HB3 SER 32 HB3 SER 32 -4.177 8.179 1.385
448 HB3 SER 32 HB3 SER 32 -2.911 7.691 2.554
449 HG SER 32 HG SER 32 -4.796 10.273 1.197
450 HG SER 32 HG SER 32 -4.327 7.284 0.291
451 H GLN 33 H GLN 33 -5.706 5.612 4.405
452 H GLN 33 H GLN 33 -5.036 5.041 3.180
453 HA GLN 33 HA GLN 33 -2.944 5.058 5.226
454 HA GLN 33 HA GLN 33 -3.213 4.620 5.396
455 HB2 GLN 33 HB2 GLN 33 -3.975 3.404 6.772
456 HB2 GLN 33 HB2 GLN 33 -5.388 4.903 6.509
457 HB3 GLN 33 HB3 GLN 33 -4.502 5.056 7.061
458 HB3 GLN 33 HB3 GLN 33 -6.064 3.622 5.511
459 HG2 GLN 33 HG2 GLN 33 -6.635 4.632 6.454
460 HG2 GLN 33 HG2 GLN 33 -4.575 2.005 6.518
461 HG3 GLN 33 HG3 GLN 33 -6.173 3.433 5.247
462 HG3 GLN 33 HG3 GLN 33 -3.803 3.276 7.465
463 HE21 GLN 33 HE21 GLN 33 -8.158 2.508 6.412
464 HE21 GLN 33 HE21 GLN 33 -6.690 1.373 7.033
465 HE22 GLN 33 HE22 GLN 33 -7.820 1.433 7.722
466 HE22 GLN 33 HE22 GLN 33 -7.378 1.704 8.583
467 H PHE 34 H PHE 34 -2.156 2.845 5.082
468 H PHE 34 H PHE 34 -2.096 2.754 5.204
469 HA PHE 34 HA PHE 34 -2.799 1.693 2.512
470 HA PHE 34 HA PHE 34 -2.474 1.209 2.802
471 HB2 PHE 34 HB2 PHE 34 -0.847 0.598 4.535
472 HB2 PHE 34 HB2 PHE 34 -0.472 0.922 5.051
473 HB3 PHE 34 HB3 PHE 34 -0.853 0.353 2.791
474 HB3 PHE 34 HB3 PHE 34 -0.434 0.011 3.546
475 HD1 PHE 34 HD1 PHE 34 0.817 1.952 5.313
476 HD1 PHE 34 HD1 PHE 34 0.916 2.731 5.201
477 HD2 PHE 34 HD2 PHE 34 -0.853 2.752 1.481
478 HD2 PHE 34 HD2 PHE 34 -0.572 1.591 1.379
479 HE1 PHE 34 HE1 PHE 34 2.352 3.856 5.046
480 HE1 PHE 34 HE1 PHE 34 2.236 4.526 4.154
481 HE2 PHE 34 HE2 PHE 34 0.680 4.656 1.208
482 HE2 PHE 34 HE2 PHE 34 0.746 3.383 0.328
483 HZ PHE 34 HZ PHE 34 2.285 5.210 2.991
484 HZ PHE 34 HZ PHE 34 2.154 4.853 1.715
485 H GLU 35 H GLU 35 -3.353 0.976 5.880
486 H GLU 35 H GLU 35 -3.008 0.794 6.239
487 HA GLU 35 HA GLU 35 -4.089 -1.742 5.575
488 HA GLU 35 HA GLU 35 -3.504 -2.017 6.108
489 HB2 GLU 35 HB2 GLU 35 -3.533 -0.341 7.720
490 HB2 GLU 35 HB2 GLU 35 -4.413 -0.091 8.250
491 HB3 GLU 35 HB3 GLU 35 -5.259 -0.009 7.718
492 HB3 GLU 35 HB3 GLU 35 -4.207 -1.830 8.401
493 HG2 GLU 35 HG2 GLU 35 -5.822 -2.191 8.159
494 HG2 GLU 35 HG2 GLU 35 -1.724 -1.173 7.671
495 HG3 GLU 35 HG3 GLU 35 -4.315 -2.825 7.501
496 HG3 GLU 35 HG3 GLU 35 -2.200 0.333 8.454
497 H ARG 36 H ARG 36 -6.003 -2.700 5.121
498 H ARG 36 H ARG 36 -5.369 -3.099 5.792
499 HA ARG 36 HA ARG 36 -7.943 -1.293 3.654
500 HA ARG 36 HA ARG 36 -7.499 -1.918 4.439
501 HB2 ARG 36 HB2 ARG 36 -7.597 -3.661 3.299
502 HB2 ARG 36 HB2 ARG 36 -6.990 -4.320 4.335
503 HB3 ARG 36 HB3 ARG 36 -8.055 -4.017 4.958
504 HB3 ARG 36 HB3 ARG 36 -7.485 -4.499 6.014
505 HG2 ARG 36 HG2 ARG 36 -10.327 -3.127 4.445
506 HG2 ARG 36 HG2 ARG 36 -9.739 -3.504 5.158
507 HG3 ARG 36 HG3 ARG 36 -9.832 -2.998 2.756
508 HG3 ARG 36 HG3 ARG 36 -9.149 -4.047 3.586
509 HD2 ARG 36 HD2 ARG 36 -10.395 -5.125 2.463
510 HD2 ARG 36 HD2 ARG 36 -8.654 -6.225 5.144
511 HD3 ARG 36 HD3 ARG 36 -9.137 -5.590 3.607
512 HD3 ARG 36 HD3 ARG 36 -10.127 -5.592 5.879
513 HE ARG 36 HE ARG 36 -11.190 -4.933 5.223
514 HE ARG 36 HE ARG 36 -10.234 -5.809 3.009
515 HH11 ARG 36 HH11 ARG 36 -10.949 -7.006 2.435
516 HH11 ARG 36 HH11 ARG 36 -10.761 -7.433 6.042
517 HH12 ARG 36 HH12 ARG 36 -12.195 -8.084 2.968
518 HH12 ARG 36 HH12 ARG 36 -11.892 -8.570 5.387
519 HH21 ARG 36 HH21 ARG 36 -12.834 -6.345 5.934
520 HH21 ARG 36 HH21 ARG 36 -11.722 -7.300 2.133
521 HH22 ARG 36 HH22 ARG 36 -13.268 -7.707 4.957
522 HH22 ARG 36 HH22 ARG 36 -12.438 -8.494 3.163
523 HA PRO 37 HA PRO 37 -10.425 0.459 6.855
524 HA PRO 37 HA PRO 37 -9.425 0.054 7.979
525 HB2 PRO 37 HB2 PRO 37 -12.636 0.987 5.370
526 HB2 PRO 37 HB2 PRO 37 -11.275 1.402 6.520
527 HB3 PRO 37 HB3 PRO 37 -11.152 1.941 5.257
528 HB3 PRO 37 HB3 PRO 37 -9.596 1.935 6.671
529 HG2 PRO 37 HG2 PRO 37 -12.130 -0.255 3.475
530 HG2 PRO 37 HG2 PRO 37 -10.912 0.425 4.446
531 HG3 PRO 37 HG3 PRO 37 -11.387 1.294 3.037
532 HG3 PRO 37 HG3 PRO 37 -9.765 1.773 4.357
533 HD2 PRO 37 HD2 PRO 37 -10.002 -1.033 3.062
534 HD2 PRO 37 HD2 PRO 37 -9.015 -0.802 3.993
535 HD3 PRO 37 HD3 PRO 37 -9.251 0.527 3.452
536 HD3 PRO 37 HD3 PRO 37 -7.941 0.411 4.717
537 H SER 38 H SER 38 -11.933 -0.221 8.302
538 H SER 38 H SER 38 -11.656 0.153 8.822
539 HA SER 38 HA SER 38 -12.860 -2.915 8.128
540 HA SER 38 HA SER 38 -13.410 -1.956 7.771
541 HB2 SER 38 HB2 SER 38 -13.988 -2.381 10.306
542 HB2 SER 38 HB2 SER 38 -12.128 -2.918 9.639
543 HB3 SER 38 HB3 SER 38 -12.258 -2.039 10.293
544 HB3 SER 38 HB3 SER 38 -12.668 -1.606 10.687
545 HG SER 38 HG SER 38 -14.003 -0.388 11.057
546 HG SER 38 HG SER 38 -14.631 -2.459 10.784
547 H GLY 39 H GLY 39 -14.638 0.167 8.454
548 H GLY 39 H GLY 39 -15.608 -1.863 8.929
549 HA2 GLY 39 HA2 GLY 39 -16.543 0.820 7.264
550 HA2 GLY 39 HA2 GLY 39 -16.490 0.512 10.161
551 HA3 GLY 39 HA3 GLY 39 -16.642 -0.795 6.579
552 HA3 GLY 39 HA3 GLY 39 -16.779 0.630 8.432
Start of MODEL 11
1 H1 SER 5 H SER 5 -19.385 -5.274 -0.017
2 H1 SER 5 H SER 5 -18.689 -3.768 -1.557
3 HA SER 5 HA SER 5 -18.209 -7.014 -0.946
4 HA SER 5 HA SER 5 -19.212 -6.480 -0.602
5 HB2 SER 5 HB2 SER 5 -18.130 -5.258 -3.411
6 HB2 SER 5 HB2 SER 5 -19.985 -6.559 -2.732
7 HB3 SER 5 HB3 SER 5 -17.507 -6.906 -3.334
8 HB3 SER 5 HB3 SER 5 -19.004 -5.184 -3.242
9 HG SER 5 HG SER 5 -19.911 -6.248 -3.956
10 HG SER 5 HG SER 5 -18.123 -6.882 -4.278
11 H LYS 6 H LYS 6 -16.695 -4.213 -2.530
12 H LYS 6 H LYS 6 -16.571 -4.485 -1.855
13 HA LYS 6 HA LYS 6 -14.186 -4.898 -1.165
14 HA LYS 6 HA LYS 6 -14.671 -6.511 -0.867
15 HB2 LYS 6 HB2 LYS 6 -14.481 -3.027 -3.509
16 HB2 LYS 6 HB2 LYS 6 -13.063 -5.452 -2.519
17 HB3 LYS 6 HB3 LYS 6 -13.024 -3.829 -2.938
18 HB3 LYS 6 HB3 LYS 6 -14.384 -6.379 -3.215
19 HG2 LYS 6 HG2 LYS 6 -13.475 -5.163 -4.705
20 HG2 LYS 6 HG2 LYS 6 -15.161 -3.634 -2.912
21 HG3 LYS 6 HG3 LYS 6 -14.460 -5.992 -3.496
22 HG3 LYS 6 HG3 LYS 6 -13.642 -3.747 -3.801
23 HD2 LYS 6 HD2 LYS 6 -16.167 -5.731 -4.913
24 HD2 LYS 6 HD2 LYS 6 -15.782 -5.646 -4.562
25 HD3 LYS 6 HD3 LYS 6 -16.143 -4.024 -4.458
26 HD3 LYS 6 HD3 LYS 6 -16.038 -3.949 -4.978
27 HE2 LYS 6 HE2 LYS 6 -14.729 -5.302 -6.795
28 HE2 LYS 6 HE2 LYS 6 -14.938 -5.223 -6.783
29 HE3 LYS 6 HE3 LYS 6 -16.114 -4.213 -6.861
30 HE3 LYS 6 HE3 LYS 6 -13.952 -3.889 -6.189
31 HZ1 LYS 6 HZ1 LYS 6 -13.341 -3.564 -6.038
32 HZ1 LYS 6 HZ1 LYS 6 -13.634 -6.715 -5.341
33 HZ2 LYS 6 HZ2 LYS 6 -14.646 -2.523 -5.771
34 HZ2 LYS 6 HZ2 LYS 6 -12.633 -5.417 -4.925
35 HZ3 LYS 6 HZ3 LYS 6 -14.206 -2.937 -7.350
36 HZ3 LYS 6 HZ3 LYS 6 -12.692 -5.960 -6.525
37 H LEU 7 H LEU 7 -14.029 -3.805 0.696
38 H LEU 7 H LEU 7 -15.466 -3.096 -1.047
39 HA LEU 7 HA LEU 7 -13.818 -2.072 2.153
40 HA LEU 7 HA LEU 7 -13.682 -2.621 1.230
41 HB2 LEU 7 HB2 LEU 7 -13.943 -0.076 -0.051
42 HB2 LEU 7 HB2 LEU 7 -13.425 -1.514 -1.441
43 HB3 LEU 7 HB3 LEU 7 -12.930 -0.095 1.392
44 HB3 LEU 7 HB3 LEU 7 -13.574 -0.258 -0.213
45 HG LEU 7 HG LEU 7 -12.521 -1.949 -0.949
46 HG LEU 7 HG LEU 7 -11.643 -1.232 0.976
47 HD11 LEU 7 HD11 LEU 7 -12.260 0.349 -1.702
48 HD11 LEU 7 HD11 LEU 7 -12.055 -3.347 -0.967
49 HD12 LEU 7 HD12 LEU 7 -10.697 -0.462 -1.614
50 HD12 LEU 7 HD12 LEU 7 -11.150 -3.359 0.545
51 HD13 LEU 7 HD13 LEU 7 -11.168 0.680 -0.356
52 HD13 LEU 7 HD13 LEU 7 -10.386 -2.778 -0.934
53 HD21 LEU 7 HD21 LEU 7 -11.480 -1.884 1.669
54 HD21 LEU 7 HD21 LEU 7 -10.826 0.479 -0.251
55 HD22 LEU 7 HD22 LEU 7 -10.193 -1.339 0.592
56 HD22 LEU 7 HD22 LEU 7 -11.535 -0.112 -1.753
57 HD23 LEU 7 HD23 LEU 7 -10.971 -2.899 0.320
58 HD23 LEU 7 HD23 LEU 7 -10.040 -0.823 -1.142
59 HA PRO 8 HA PRO 8 -17.905 -0.656 2.922
60 HA PRO 8 HA PRO 8 -17.059 -0.406 2.947
61 HB2 PRO 8 HB2 PRO 8 -17.409 1.345 4.688
62 HB2 PRO 8 HB2 PRO 8 -15.767 1.478 4.416
63 HB3 PRO 8 HB3 PRO 8 -17.253 -0.366 5.105
64 HB3 PRO 8 HB3 PRO 8 -15.814 -0.230 4.869
65 HG2 PRO 8 HG2 PRO 8 -15.127 1.600 4.346
66 HG2 PRO 8 HG2 PRO 8 -13.649 1.303 3.484
67 HG3 PRO 8 HG3 PRO 8 -15.112 0.376 5.629
68 HG3 PRO 8 HG3 PRO 8 -13.514 0.104 4.783
69 HD2 PRO 8 HD2 PRO 8 -13.874 0.007 3.248
70 HD2 PRO 8 HD2 PRO 8 -13.033 -0.501 2.189
71 HD3 PRO 8 HD3 PRO 8 -14.594 -1.330 4.169
72 HD3 PRO 8 HD3 PRO 8 -13.712 -1.676 3.333
73 HA PRO 9 HA PRO 9 -18.984 2.911 0.585
74 HA PRO 9 HA PRO 9 -18.028 3.170 0.575
75 HB2 PRO 9 HB2 PRO 9 -20.836 4.175 2.116
76 HB2 PRO 9 HB2 PRO 9 -19.624 4.546 2.285
77 HB3 PRO 9 HB3 PRO 9 -21.156 2.648 1.285
78 HB3 PRO 9 HB3 PRO 9 -20.139 3.063 1.477
79 HG2 PRO 9 HG2 PRO 9 -20.431 3.129 4.149
80 HG2 PRO 9 HG2 PRO 9 -19.111 3.444 4.263
81 HG3 PRO 9 HG3 PRO 9 -21.646 2.030 3.473
82 HG3 PRO 9 HG3 PRO 9 -20.465 2.449 3.697
83 HD2 PRO 9 HD2 PRO 9 -19.209 1.181 4.294
84 HD2 PRO 9 HD2 PRO 9 -18.034 1.405 4.274
85 HD3 PRO 9 HD3 PRO 9 -20.080 0.422 2.947
86 HD3 PRO 9 HD3 PRO 9 -19.086 0.736 3.009
87 H GLY 10 H GLY 10 -16.923 3.973 0.691
88 H GLY 10 H GLY 10 -17.297 5.215 0.167
89 HA2 GLY 10 HA2 GLY 10 -16.835 6.594 1.231
90 HA2 GLY 10 HA2 GLY 10 -16.461 7.352 0.716
91 HA3 GLY 10 HA3 GLY 10 -16.477 5.910 2.809
92 HA3 GLY 10 HA3 GLY 10 -16.129 6.778 2.344
93 H TRP 11 H TRP 11 -15.167 3.602 1.234
94 H TRP 11 H TRP 11 -14.766 4.363 1.401
95 HA TRP 11 HA TRP 11 -12.593 4.981 0.873
96 HA TRP 11 HA TRP 11 -12.169 5.582 0.950
97 HB2 TRP 11 HB2 TRP 11 -13.303 2.218 1.815
98 HB2 TRP 11 HB2 TRP 11 -12.954 2.701 1.444
99 HB3 TRP 11 HB3 TRP 11 -11.702 2.560 1.168
100 HB3 TRP 11 HB3 TRP 11 -11.298 3.291 1.334
101 HD1 TRP 11 HD1 TRP 11 -13.845 3.053 4.244
102 HD1 TRP 11 HD1 TRP 11 -14.386 3.480 3.622
103 HE1 TRP 11 HE1 TRP 11 -12.428 4.134 6.103
104 HE1 TRP 11 HE1 TRP 11 -13.608 4.168 5.977
105 HE3 TRP 11 HE3 TRP 11 -9.685 4.230 1.516
106 HE3 TRP 11 HE3 TRP 11 -9.470 4.444 2.603
107 HZ2 TRP 11 HZ2 TRP 11 -9.885 5.325 6.375
108 HZ2 TRP 11 HZ2 TRP 11 -11.226 5.009 7.236
109 HZ3 TRP 11 HZ3 TRP 11 -7.806 5.340 2.650
110 HZ3 TRP 11 HZ3 TRP 11 -8.009 5.187 4.439
111 HH2 TRP 11 HH2 TRP 11 -7.905 5.877 5.029
112 HH2 TRP 11 HH2 TRP 11 -8.870 5.463 6.707
113 H GLU 12 H GLU 12 -11.397 4.684 -0.963
114 H GLU 12 H GLU 12 -10.844 5.224 -0.807
115 HA GLU 12 HA GLU 12 -12.586 3.004 -3.068
116 HA GLU 12 HA GLU 12 -11.999 3.737 -3.065
117 HB2 GLU 12 HB2 GLU 12 -12.213 4.659 -4.710
118 HB2 GLU 12 HB2 GLU 12 -12.398 6.135 -3.421
119 HB3 GLU 12 HB3 GLU 12 -12.954 5.502 -3.357
120 HB3 GLU 12 HB3 GLU 12 -10.681 6.454 -3.226
121 HG2 GLU 12 HG2 GLU 12 -11.258 6.913 -3.296
122 HG2 GLU 12 HG2 GLU 12 -11.655 6.329 -5.597
123 HG3 GLU 12 HG3 GLU 12 -10.145 5.580 -2.996
124 HG3 GLU 12 HG3 GLU 12 -10.134 5.501 -5.259
125 H LYS 13 H LYS 13 -11.080 2.278 -4.714
126 H LYS 13 H LYS 13 -10.593 2.535 -4.240
127 HA LYS 13 HA LYS 13 -8.497 1.627 -3.548
128 HA LYS 13 HA LYS 13 -7.944 2.166 -3.140
129 HB2 LYS 13 HB2 LYS 13 -10.164 0.051 -4.852
130 HB2 LYS 13 HB2 LYS 13 -9.230 0.201 -3.745
131 HB3 LYS 13 HB3 LYS 13 -9.338 0.699 -6.264
132 HB3 LYS 13 HB3 LYS 13 -9.401 0.780 -5.397
133 HG2 LYS 13 HG2 LYS 13 -7.241 -0.147 -5.526
134 HG2 LYS 13 HG2 LYS 13 -6.890 0.659 -5.575
135 HG3 LYS 13 HG3 LYS 13 -7.907 -0.586 -3.951
136 HG3 LYS 13 HG3 LYS 13 -6.907 -0.191 -4.028
137 HD2 LYS 13 HD2 LYS 13 -9.562 -1.996 -5.490
138 HD2 LYS 13 HD2 LYS 13 -8.690 -1.163 -6.208
139 HD3 LYS 13 HD3 LYS 13 -8.171 -1.944 -6.575
140 HD3 LYS 13 HD3 LYS 13 -6.960 -1.502 -6.318
141 HE2 LYS 13 HE2 LYS 13 -6.760 -2.822 -4.744
142 HE2 LYS 13 HE2 LYS 13 -8.286 -2.035 -3.722
143 HE3 LYS 13 HE3 LYS 13 -8.197 -2.950 -3.733
144 HE3 LYS 13 HE3 LYS 13 -8.678 -3.114 -5.059
145 HZ1 LYS 13 HZ1 LYS 13 -8.914 -4.766 -4.826
146 HZ1 LYS 13 HZ1 LYS 13 -6.286 -2.950 -3.504
147 HZ2 LYS 13 HZ2 LYS 13 -7.280 -4.943 -5.222
148 HZ2 LYS 13 HZ2 LYS 13 -5.963 -2.878 -5.163
149 HZ3 LYS 13 HZ3 LYS 13 -8.348 -4.242 -6.331
150 HZ3 LYS 13 HZ3 LYS 13 -6.824 -4.188 -4.524
151 H ARG 14 H ARG 14 -6.688 2.682 -4.013
152 H ARG 14 H ARG 14 -6.173 3.143 -3.850
153 HA ARG 14 HA ARG 14 -6.486 4.087 -6.589
154 HA ARG 14 HA ARG 14 -6.138 4.163 -6.614
155 HB2 ARG 14 HB2 ARG 14 -6.269 5.192 -3.861
156 HB2 ARG 14 HB2 ARG 14 -4.754 5.462 -4.265
157 HB3 ARG 14 HB3 ARG 14 -4.997 5.684 -4.970
158 HB3 ARG 14 HB3 ARG 14 -4.916 6.100 -5.896
159 HG2 ARG 14 HG2 ARG 14 -7.229 6.040 -6.493
160 HG2 ARG 14 HG2 ARG 14 -7.190 5.646 -3.975
161 HG3 ARG 14 HG3 ARG 14 -7.814 6.449 -4.879
162 HG3 ARG 14 HG3 ARG 14 -6.421 7.198 -4.306
163 HD2 ARG 14 HD2 ARG 14 -6.568 8.321 -4.766
164 HD2 ARG 14 HD2 ARG 14 -8.091 5.503 -6.136
165 HD3 ARG 14 HD3 ARG 14 -5.190 7.571 -5.571
166 HD3 ARG 14 HD3 ARG 14 -8.351 7.175 -5.642
167 HE ARG 14 HE ARG 14 -7.169 9.207 -6.773
168 HE ARG 14 HE ARG 14 -6.010 7.320 -6.957
169 HH11 ARG 14 HH11 ARG 14 -5.164 6.422 -7.358
170 HH11 ARG 14 HH11 ARG 14 -9.078 5.886 -7.771
171 HH12 ARG 14 HH12 ARG 14 -5.129 6.645 -9.076
172 HH12 ARG 14 HH12 ARG 14 -8.887 6.132 -9.476
173 HH21 ARG 14 HH21 ARG 14 -7.130 9.513 -9.034
174 HH21 ARG 14 HH21 ARG 14 -5.749 7.649 -9.198
175 HH22 ARG 14 HH22 ARG 14 -6.246 8.403 -10.028
176 HH22 ARG 14 HH22 ARG 14 -6.994 7.136 -10.288
177 H MET 15 H MET 15 -4.162 4.727 -7.050
178 H MET 15 H MET 15 -3.862 4.563 -7.408
179 HA MET 15 HA MET 15 -2.297 2.711 -5.995
180 HA MET 15 HA MET 15 -1.971 2.605 -6.299
181 HB2 MET 15 HB2 MET 15 -3.328 2.667 -8.543
182 HB2 MET 15 HB2 MET 15 -3.021 1.557 -8.219
183 HB3 MET 15 HB3 MET 15 -1.809 3.524 -8.769
184 HB3 MET 15 HB3 MET 15 -2.681 2.967 -9.214
185 HG2 MET 15 HG2 MET 15 -1.151 1.373 -7.150
186 HG2 MET 15 HG2 MET 15 -0.782 2.022 -9.826
187 HG3 MET 15 HG3 MET 15 -2.303 0.716 -8.310
188 HG3 MET 15 HG3 MET 15 -0.216 2.160 -8.163
189 HE1 MET 15 HE1 MET 15 -0.043 -0.369 -10.896
190 HE1 MET 15 HE1 MET 15 0.197 -0.834 -10.575
191 HE2 MET 15 HE2 MET 15 0.150 -0.892 -9.224
192 HE2 MET 15 HE2 MET 15 1.084 0.448 -9.752
193 HE3 MET 15 HE3 MET 15 -1.461 -0.577 -9.869
194 HE3 MET 15 HE3 MET 15 1.072 -1.187 -9.086
195 H SER 16 H SER 16 0.036 3.324 -6.817
196 H SER 16 H SER 16 0.053 3.338 -6.071
197 HA SER 16 HA SER 16 0.438 6.117 -6.020
198 HA SER 16 HA SER 16 0.672 6.050 -6.397
199 HB2 SER 16 HB2 SER 16 1.596 3.940 -4.980
200 HB2 SER 16 HB2 SER 16 1.799 4.070 -4.988
201 HB3 SER 16 HB3 SER 16 2.739 4.245 -6.287
202 HB3 SER 16 HB3 SER 16 2.911 4.090 -6.358
203 HG SER 16 HG SER 16 3.269 6.155 -5.402
204 HG SER 16 HG SER 16 2.229 6.533 -5.189
205 H ARG 17 H ARG 17 2.566 7.051 -7.012
206 H ARG 17 H ARG 17 2.637 6.825 -7.657
207 HA ARG 17 HA ARG 17 2.473 6.589 -9.923
208 HA ARG 17 HA ARG 17 2.556 5.698 -10.379
209 HB2 ARG 17 HB2 ARG 17 1.492 8.747 -9.339
210 HB2 ARG 17 HB2 ARG 17 1.471 7.822 -10.443
211 HB3 ARG 17 HB3 ARG 17 2.941 9.181 -8.442
212 HB3 ARG 17 HB3 ARG 17 2.729 8.567 -9.469
213 HG2 ARG 17 HG2 ARG 17 4.184 8.889 -10.652
214 HG2 ARG 17 HG2 ARG 17 4.322 8.242 -11.314
215 HG3 ARG 17 HG3 ARG 17 2.587 8.907 -11.404
216 HG3 ARG 17 HG3 ARG 17 3.022 7.558 -12.290
217 HD2 ARG 17 HD2 ARG 17 2.860 11.064 -9.512
218 HD2 ARG 17 HD2 ARG 17 3.308 10.371 -11.271
219 HD3 ARG 17 HD3 ARG 17 4.161 11.107 -10.702
220 HD3 ARG 17 HD3 ARG 17 3.210 9.821 -12.944
221 HE ARG 17 HE ARG 17 2.625 11.646 -12.326
222 HE ARG 17 HE ARG 17 0.846 9.034 -11.849
223 HH11 ARG 17 HH11 ARG 17 0.971 10.620 -9.440
224 HH11 ARG 17 HH11 ARG 17 2.539 12.068 -12.074
225 HH12 ARG 17 HH12 ARG 17 -0.593 11.114 -10.004
226 HH12 ARG 17 HH12 ARG 17 1.093 13.022 -12.092
227 HH21 ARG 17 HH21 ARG 17 0.575 12.301 -13.078
228 HH21 ARG 17 HH21 ARG 17 -1.065 10.280 -11.873
229 HH22 ARG 17 HH22 ARG 17 -0.817 12.068 -12.075
230 HH22 ARG 17 HH22 ARG 17 -0.957 12.004 -11.977
231 H ASN 18 H ASN 18 4.471 7.273 -7.122
232 H ASN 18 H ASN 18 4.505 6.847 -7.759
233 HA ASN 18 HA ASN 18 6.864 6.738 -8.757
234 HA ASN 18 HA ASN 18 6.955 6.955 -9.268
235 HB2 ASN 18 HB2 ASN 18 6.660 9.033 -7.669
236 HB2 ASN 18 HB2 ASN 18 6.487 8.340 -7.216
237 HB3 ASN 18 HB3 ASN 18 6.841 8.211 -6.122
238 HB3 ASN 18 HB3 ASN 18 6.636 6.868 -6.263
239 HD21 ASN 18 HD21 ASN 18 8.661 9.982 -6.463
240 HD21 ASN 18 HD21 ASN 18 8.288 8.613 -5.440
241 HD22 ASN 18 HD22 ASN 18 10.175 9.326 -6.969
242 HD22 ASN 18 HD22 ASN 18 9.895 8.398 -6.037
243 H SER 19 H SER 19 5.596 4.531 -8.013
244 H SER 19 H SER 19 5.653 4.804 -6.744
245 HA SER 19 HA SER 19 7.484 3.170 -6.405
246 HA SER 19 HA SER 19 7.653 2.793 -7.511
247 HB2 SER 19 HB2 SER 19 5.308 4.397 -4.986
248 HB2 SER 19 HB2 SER 19 7.076 1.705 -5.348
249 HB3 SER 19 HB3 SER 19 5.163 2.643 -4.876
250 HB3 SER 19 HB3 SER 19 7.680 3.349 -5.146
251 HG SER 19 HG SER 19 6.516 3.733 -3.247
252 HG SER 19 HG SER 19 5.905 3.648 -4.070
253 H GLY 20 H GLY 20 3.953 2.793 -6.742
254 H GLY 20 H GLY 20 4.292 2.742 -6.304
255 HA2 GLY 20 HA2 GLY 20 3.228 1.363 -8.681
256 HA2 GLY 20 HA2 GLY 20 2.629 1.873 -7.994
257 HA3 GLY 20 HA3 GLY 20 4.483 0.252 -8.153
258 HA3 GLY 20 HA3 GLY 20 3.769 0.555 -8.220
259 H ARG 21 H ARG 21 3.915 0.725 -5.310
260 H ARG 21 H ARG 21 3.062 1.994 -5.101
261 HA ARG 21 HA ARG 21 2.157 -1.377 -4.833
262 HA ARG 21 HA ARG 21 2.139 -0.603 -4.157
263 HB2 ARG 21 HB2 ARG 21 2.781 0.910 -2.956
264 HB2 ARG 21 HB2 ARG 21 3.377 1.767 -2.954
265 HB3 ARG 21 HB3 ARG 21 2.180 -0.679 -2.503
266 HB3 ARG 21 HB3 ARG 21 2.086 1.074 -1.981
267 HG2 ARG 21 HG2 ARG 21 4.208 -1.638 -2.656
268 HG2 ARG 21 HG2 ARG 21 3.246 -0.823 -1.536
269 HG3 ARG 21 HG3 ARG 21 4.682 -0.661 -4.048
270 HG3 ARG 21 HG3 ARG 21 4.098 -0.796 -3.081
271 HD2 ARG 21 HD2 ARG 21 5.962 -0.252 -1.905
272 HD2 ARG 21 HD2 ARG 21 5.502 -0.351 -1.026
273 HD3 ARG 21 HD3 ARG 21 5.273 1.170 -2.687
274 HD3 ARG 21 HD3 ARG 21 5.626 0.837 -2.323
275 HE ARG 21 HE ARG 21 3.512 0.083 -0.729
276 HE ARG 21 HE ARG 21 4.812 2.402 -0.881
277 HH11 ARG 21 HH11 ARG 21 6.366 2.036 -1.142
278 HH11 ARG 21 HH11 ARG 21 3.920 -0.753 0.292
279 HH12 ARG 21 HH12 ARG 21 6.133 2.918 0.330
280 HH12 ARG 21 HH12 ARG 21 3.227 -0.152 1.763
281 HH21 ARG 21 HH21 ARG 21 3.194 1.240 1.211
282 HH21 ARG 21 HH21 ARG 21 3.903 3.204 1.050
283 HH22 ARG 21 HH22 ARG 21 4.330 2.465 1.669
284 HH22 ARG 21 HH22 ARG 21 3.216 2.098 2.192
285 H VAL 22 H VAL 22 0.214 -0.911 -3.169
286 H VAL 22 H VAL 22 0.062 -1.084 -3.926
287 HA VAL 22 HA VAL 22 -1.512 1.150 -4.368
288 HA VAL 22 HA VAL 22 -1.979 0.847 -4.456
289 HB VAL 22 HB VAL 22 -3.414 -0.559 -3.921
290 HB VAL 22 HB VAL 22 -2.185 -2.008 -3.491
291 HG11 VAL 22 HG11 VAL 22 -1.473 -0.607 -6.205
292 HG11 VAL 22 HG11 VAL 22 -4.333 -0.157 -4.516
293 HG12 VAL 22 HG12 VAL 22 -2.902 -1.643 -6.200
294 HG12 VAL 22 HG12 VAL 22 -4.538 -1.875 -4.173
295 HG13 VAL 22 HG13 VAL 22 -3.082 0.110 -6.127
296 HG13 VAL 22 HG13 VAL 22 -4.169 -0.750 -2.865
297 HG21 VAL 22 HG21 VAL 22 -1.234 -2.555 -4.433
298 HG21 VAL 22 HG21 VAL 22 -3.157 -1.569 -6.137
299 HG22 VAL 22 HG22 VAL 22 -1.716 -2.126 -2.791
300 HG22 VAL 22 HG22 VAL 22 -1.522 -0.917 -6.011
301 HG23 VAL 22 HG23 VAL 22 -2.892 -2.834 -3.899
302 HG23 VAL 22 HG23 VAL 22 -1.833 -2.604 -5.601
303 H TYR 23 H TYR 23 -3.477 1.579 -2.999
304 H TYR 23 H TYR 23 -3.340 1.875 -3.082
305 HA TYR 23 HA TYR 23 -3.425 0.888 -0.231
306 HA TYR 23 HA TYR 23 -3.333 1.191 -0.250
307 HB2 TYR 23 HB2 TYR 23 -3.114 3.327 0.507
308 HB2 TYR 23 HB2 TYR 23 -2.874 3.507 0.439
309 HB3 TYR 23 HB3 TYR 23 -1.671 2.430 0.045
310 HB3 TYR 23 HB3 TYR 23 -1.518 2.819 -0.450
311 HD1 TYR 23 HD1 TYR 23 -0.284 3.193 -1.699
312 HD1 TYR 23 HD1 TYR 23 -0.962 3.617 -2.687
313 HD2 TYR 23 HD2 TYR 23 -4.134 4.924 -1.169
314 HD2 TYR 23 HD2 TYR 23 -4.181 5.320 -0.489
315 HE1 TYR 23 HE1 TYR 23 0.285 4.940 -3.332
316 HE1 TYR 23 HE1 TYR 23 -1.003 5.526 -4.238
317 HE2 TYR 23 HE2 TYR 23 -3.576 6.676 -2.804
318 HE2 TYR 23 HE2 TYR 23 -4.231 7.233 -2.033
319 HH TYR 23 HH TYR 23 -0.383 7.161 -3.960
320 HH TYR 23 HH TYR 23 -3.269 8.221 -3.773
321 H TYR 24 H TYR 24 -4.906 2.720 0.953
322 H TYR 24 H TYR 24 -4.875 2.829 0.925
323 HA TYR 24 HA TYR 24 -7.281 2.977 -0.774
324 HA TYR 24 HA TYR 24 -7.217 3.265 -0.810
325 HB2 TYR 24 HB2 TYR 24 -7.341 2.823 2.234
326 HB2 TYR 24 HB2 TYR 24 -7.375 2.532 2.110
327 HB3 TYR 24 HB3 TYR 24 -8.669 2.583 1.103
328 HB3 TYR 24 HB3 TYR 24 -8.672 2.530 0.920
329 HD1 TYR 24 HD1 TYR 24 -6.237 0.977 3.102
330 HD1 TYR 24 HD1 TYR 24 -6.472 0.496 2.703
331 HD2 TYR 24 HD2 TYR 24 -8.414 0.559 -0.530
332 HD2 TYR 24 HD2 TYR 24 -8.195 0.922 -1.164
333 HE1 TYR 24 HE1 TYR 24 -5.818 -1.445 3.136
334 HE1 TYR 24 HE1 TYR 24 -6.053 -1.885 2.262
335 HE2 TYR 24 HE2 TYR 24 -8.002 -1.865 -0.505
336 HE2 TYR 24 HE2 TYR 24 -7.782 -1.461 -1.616
337 HH TYR 24 HH TYR 24 -7.427 -3.611 1.673
338 HH TYR 24 HH TYR 24 -7.486 -3.635 0.093
339 H PHE 25 H PHE 25 -8.536 4.849 -0.638
340 H PHE 25 H PHE 25 -8.186 5.207 -0.709
341 HA PHE 25 HA PHE 25 -7.339 7.095 0.836
342 HA PHE 25 HA PHE 25 -7.385 7.046 1.443
343 HB2 PHE 25 HB2 PHE 25 -6.801 7.124 -1.636
344 HB2 PHE 25 HB2 PHE 25 -6.127 7.754 -0.457
345 HB3 PHE 25 HB3 PHE 25 -8.523 7.339 -1.930
346 HB3 PHE 25 HB3 PHE 25 -7.520 7.596 -1.521
347 HD1 PHE 25 HD1 PHE 25 -9.361 9.474 -2.104
348 HD1 PHE 25 HD1 PHE 25 -9.278 9.270 -1.529
349 HD2 PHE 25 HD2 PHE 25 -5.728 8.842 0.024
350 HD2 PHE 25 HD2 PHE 25 -5.853 9.674 0.965
351 HE1 PHE 25 HE1 PHE 25 -9.102 11.906 -1.828
352 HE1 PHE 25 HE1 PHE 25 -9.823 11.643 -1.172
353 HE2 PHE 25 HE2 PHE 25 -5.465 11.274 0.304
354 HE2 PHE 25 HE2 PHE 25 -6.394 12.047 1.327
355 HZ PHE 25 HZ PHE 25 -7.154 12.808 -0.623
356 HZ PHE 25 HZ PHE 25 -8.382 13.035 0.259
357 H ASN 26 H ASN 26 -8.729 8.165 2.082
358 H ASN 26 H ASN 26 -8.948 8.439 2.200
359 HA ASN 26 HA ASN 26 -11.583 7.581 1.791
360 HA ASN 26 HA ASN 26 -11.682 7.854 1.298
361 HB2 ASN 26 HB2 ASN 26 -10.453 7.206 3.996
362 HB2 ASN 26 HB2 ASN 26 -10.946 7.476 3.733
363 HB3 ASN 26 HB3 ASN 26 -10.169 8.943 4.092
364 HB3 ASN 26 HB3 ASN 26 -10.948 9.232 3.873
365 HD21 ASN 26 HD21 ASN 26 -12.563 6.419 4.161
366 HD21 ASN 26 HD21 ASN 26 -12.603 7.186 5.179
367 HD22 ASN 26 HD22 ASN 26 -13.836 7.369 4.839
368 HD22 ASN 26 HD22 ASN 26 -14.238 7.619 4.828
369 H HIS 27 H HIS 27 -12.665 8.977 0.568
370 H HIS 27 H HIS 27 -12.807 9.358 0.257
371 HA HIS 27 HA HIS 27 -11.820 11.763 0.419
372 HA HIS 27 HA HIS 27 -11.670 11.973 -0.167
373 HB2 HIS 27 HB2 HIS 27 -13.274 11.956 -1.473
374 HB2 HIS 27 HB2 HIS 27 -13.717 12.301 -1.603
375 HB3 HIS 27 HB3 HIS 27 -12.399 10.437 -1.640
376 HB3 HIS 27 HB3 HIS 27 -12.700 10.940 -2.065
377 HD1 HIS 27 HD1 HIS 27 -15.093 10.932 -3.080
378 HD1 HIS 27 HD1 HIS 27 -16.004 11.718 -0.435
379 HD2 HIS 27 HD2 HIS 27 -14.696 9.020 0.587
380 HD2 HIS 27 HD2 HIS 27 -13.917 8.463 -1.958
381 HE1 HIS 27 HE1 HIS 27 -17.148 9.503 -2.840
382 HE1 HIS 27 HE1 HIS 27 -17.660 9.828 -0.498
383 H ILE 28 H ILE 28 -12.925 10.871 2.895
384 H ILE 28 H ILE 28 -13.892 10.571 2.006
385 HA ILE 28 HA ILE 28 -15.367 12.515 2.970
386 HA ILE 28 HA ILE 28 -15.337 13.020 2.552
387 HB ILE 28 HB ILE 28 -14.808 10.036 4.600
388 HB ILE 28 HB ILE 28 -15.368 10.363 3.988
389 HG12 ILE 28 HG12 ILE 28 -15.508 9.542 2.308
390 HG12 ILE 28 HG12 ILE 28 -17.295 11.608 2.015
391 HG13 ILE 28 HG13 ILE 28 -16.783 9.126 3.447
392 HG13 ILE 28 HG13 ILE 28 -16.250 10.226 1.712
393 HG21 ILE 28 HG21 ILE 28 -17.477 10.900 4.887
394 HG21 ILE 28 HG21 ILE 28 -16.512 11.341 5.613
395 HG22 ILE 28 HG22 ILE 28 -16.217 10.833 6.116
396 HG22 ILE 28 HG22 ILE 28 -16.319 12.903 4.817
397 HG23 ILE 28 HG23 ILE 28 -16.445 12.302 5.167
398 HG23 ILE 28 HG23 ILE 28 -17.714 11.889 4.447
399 HD11 ILE 28 HD11 ILE 28 -17.992 10.173 1.824
400 HD11 ILE 28 HD11 ILE 28 -18.633 10.380 3.527
401 HD12 ILE 28 HD12 ILE 28 -17.629 11.543 2.873
402 HD12 ILE 28 HD12 ILE 28 -18.405 9.367 2.101
403 HD13 ILE 28 HD13 ILE 28 -16.685 11.281 1.408
404 HD13 ILE 28 HD13 ILE 28 -17.478 9.048 3.567
405 H THR 29 H THR 29 -12.610 11.282 4.829
406 H THR 29 H THR 29 -12.991 10.959 4.250
407 HA THR 29 HA THR 29 -12.749 13.718 6.484
408 HA THR 29 HA THR 29 -12.671 12.979 6.327
409 HB THR 29 HB THR 29 -11.204 11.621 7.732
410 HB THR 29 HB THR 29 -10.879 11.165 7.074
411 HG1 THR 29 HG1 THR 29 -13.936 10.952 7.586
412 HG1 THR 29 HG1 THR 29 -12.002 9.066 6.438
413 HG21 THR 29 HG21 THR 29 -13.615 13.273 8.439
414 HG21 THR 29 HG21 THR 29 -13.787 10.471 7.371
415 HG22 THR 29 HG22 THR 29 -11.973 13.390 9.072
416 HG22 THR 29 HG22 THR 29 -13.090 11.887 8.153
417 HG23 THR 29 HG23 THR 29 -12.997 12.027 9.523
418 HG23 THR 29 HG23 THR 29 -12.483 10.277 8.539
419 H ASN 30 H ASN 30 -11.317 13.203 3.935
420 H ASN 30 H ASN 30 -11.189 11.993 3.407
421 HA ASN 30 HA ASN 30 -9.256 13.458 2.984
422 HA ASN 30 HA ASN 30 -9.356 12.723 2.277
423 HB2 ASN 30 HB2 ASN 30 -9.293 15.319 5.324
424 HB2 ASN 30 HB2 ASN 30 -10.300 14.952 3.229
425 HB3 ASN 30 HB3 ASN 30 -7.803 15.146 4.402
426 HB3 ASN 30 HB3 ASN 30 -8.937 14.866 4.342
427 HD21 ASN 30 HD21 ASN 30 -7.924 15.545 2.091
428 HD21 ASN 30 HD21 ASN 30 -6.802 14.351 3.183
429 HD22 ASN 30 HD22 ASN 30 -9.048 16.716 1.500
430 HD22 ASN 30 HD22 ASN 30 -6.493 15.273 1.755
431 H ALA 31 H ALA 31 -9.526 11.167 4.713
432 H ALA 31 H ALA 31 -8.671 10.597 3.479
433 HA ALA 31 HA ALA 31 -6.901 10.952 5.989
434 HA ALA 31 HA ALA 31 -5.990 11.092 4.468
435 HB1 ALA 31 HB1 ALA 31 -9.494 9.624 6.327
436 HB1 ALA 31 HB1 ALA 31 -7.519 11.085 6.474
437 HB2 ALA 31 HB2 ALA 31 -8.094 8.560 6.453
438 HB2 ALA 31 HB2 ALA 31 -7.828 9.383 6.127
439 HB3 ALA 31 HB3 ALA 31 -8.230 9.967 7.508
440 HB3 ALA 31 HB3 ALA 31 -6.194 9.922 6.514
441 H SER 32 H SER 32 -5.657 8.938 5.647
442 H SER 32 H SER 32 -4.673 9.152 4.516
443 HA SER 32 HA SER 32 -6.104 7.420 3.253
444 HA SER 32 HA SER 32 -5.746 7.022 2.783
445 HB2 SER 32 HB2 SER 32 -4.088 8.122 2.062
446 HB2 SER 32 HB2 SER 32 -3.805 8.701 2.011
447 HB3 SER 32 HB3 SER 32 -5.160 9.501 2.307
448 HB3 SER 32 HB3 SER 32 -2.811 7.513 2.855
449 HG SER 32 HG SER 32 -3.848 10.137 4.046
450 HG SER 32 HG SER 32 -3.332 6.015 1.408
451 H GLN 33 H GLN 33 -5.956 5.665 4.659
452 H GLN 33 H GLN 33 -5.081 4.891 3.189
453 HA GLN 33 HA GLN 33 -3.293 5.189 5.826
454 HA GLN 33 HA GLN 33 -3.420 4.329 5.493
455 HB2 GLN 33 HB2 GLN 33 -4.423 3.607 7.350
456 HB2 GLN 33 HB2 GLN 33 -5.760 4.728 6.367
457 HB3 GLN 33 HB3 GLN 33 -5.029 5.249 7.516
458 HB3 GLN 33 HB3 GLN 33 -6.258 3.305 5.461
459 HG2 GLN 33 HG2 GLN 33 -7.036 4.732 6.410
460 HG2 GLN 33 HG2 GLN 33 -4.864 1.888 6.767
461 HG3 GLN 33 HG3 GLN 33 -6.401 3.204 5.801
462 HG3 GLN 33 HG3 GLN 33 -4.093 3.269 7.545
463 HE21 GLN 33 HE21 GLN 33 -7.765 1.774 6.679
464 HE21 GLN 33 HE21 GLN 33 -6.412 0.931 7.861
465 HE22 GLN 33 HE22 GLN 33 -8.037 1.581 8.375
466 HE22 GLN 33 HE22 GLN 33 -7.345 1.632 9.135
467 H PHE 34 H PHE 34 -2.535 2.949 5.818
468 H PHE 34 H PHE 34 -2.246 2.567 5.115
469 HA PHE 34 HA PHE 34 -3.072 1.715 3.240
470 HA PHE 34 HA PHE 34 -2.723 1.013 2.746
471 HB2 PHE 34 HB2 PHE 34 -0.923 1.444 5.311
472 HB2 PHE 34 HB2 PHE 34 -0.635 0.661 4.907
473 HB3 PHE 34 HB3 PHE 34 -1.149 0.164 4.124
474 HB3 PHE 34 HB3 PHE 34 -0.638 -0.137 3.336
475 HD1 PHE 34 HD1 PHE 34 -0.350 3.736 4.554
476 HD1 PHE 34 HD1 PHE 34 0.671 2.523 5.159
477 HD2 PHE 34 HD2 PHE 34 -0.428 0.418 1.889
478 HD2 PHE 34 HD2 PHE 34 -0.802 1.549 1.287
479 HE1 PHE 34 HE1 PHE 34 0.988 5.013 2.931
480 HE1 PHE 34 HE1 PHE 34 1.934 4.407 4.209
481 HE2 PHE 34 HE2 PHE 34 0.909 1.690 0.262
482 HE2 PHE 34 HE2 PHE 34 0.459 3.432 0.330
483 HZ PHE 34 HZ PHE 34 1.620 3.990 0.781
484 HZ PHE 34 HZ PHE 34 1.829 4.864 1.791
485 H GLU 35 H GLU 35 -3.667 1.168 6.614
486 H GLU 35 H GLU 35 -3.093 0.574 6.204
487 HA GLU 35 HA GLU 35 -4.156 -1.596 6.574
488 HA GLU 35 HA GLU 35 -3.624 -2.241 6.036
489 HB2 GLU 35 HB2 GLU 35 -4.355 0.511 8.448
490 HB2 GLU 35 HB2 GLU 35 -4.373 -0.433 8.326
491 HB3 GLU 35 HB3 GLU 35 -5.924 -0.281 8.413
492 HB3 GLU 35 HB3 GLU 35 -4.026 -2.156 8.372
493 HG2 GLU 35 HG2 GLU 35 -5.128 -1.864 9.726
494 HG2 GLU 35 HG2 GLU 35 -1.690 -1.195 7.407
495 HG3 GLU 35 HG3 GLU 35 -3.996 -2.326 8.456
496 HG3 GLU 35 HG3 GLU 35 -2.206 0.145 8.431
497 H ARG 36 H ARG 36 -6.278 -2.657 6.809
498 H ARG 36 H ARG 36 -5.487 -3.215 5.584
499 HA ARG 36 HA ARG 36 -8.059 -1.764 4.709
500 HA ARG 36 HA ARG 36 -7.708 -1.942 4.568
501 HB2 ARG 36 HB2 ARG 36 -7.398 -4.149 4.947
502 HB2 ARG 36 HB2 ARG 36 -7.278 -4.329 4.261
503 HB3 ARG 36 HB3 ARG 36 -8.253 -4.204 6.483
504 HB3 ARG 36 HB3 ARG 36 -7.595 -4.620 5.967
505 HG2 ARG 36 HG2 ARG 36 -10.314 -3.482 5.156
506 HG2 ARG 36 HG2 ARG 36 -9.916 -3.624 5.495
507 HG3 ARG 36 HG3 ARG 36 -9.381 -3.913 3.723
508 HG3 ARG 36 HG3 ARG 36 -9.520 -3.893 3.795
509 HD2 ARG 36 HD2 ARG 36 -9.307 -6.162 4.294
510 HD2 ARG 36 HD2 ARG 36 -8.839 -6.256 5.167
511 HD3 ARG 36 HD3 ARG 36 -9.637 -5.841 5.996
512 HD3 ARG 36 HD3 ARG 36 -10.425 -5.767 5.765
513 HE ARG 36 HE ARG 36 -11.883 -5.881 5.538
514 HE ARG 36 HE ARG 36 -10.174 -5.710 2.896
515 HH11 ARG 36 HH11 ARG 36 -10.100 -5.658 2.556
516 HH11 ARG 36 HH11 ARG 36 -10.961 -7.644 5.683
517 HH12 ARG 36 HH12 ARG 36 -11.490 -5.915 1.555
518 HH12 ARG 36 HH12 ARG 36 -11.935 -8.764 4.792
519 HH21 ARG 36 HH21 ARG 36 -13.720 -6.221 4.230
520 HH21 ARG 36 HH21 ARG 36 -11.456 -7.179 1.713
521 HH22 ARG 36 HH22 ARG 36 -13.549 -6.235 2.507
522 HH22 ARG 36 HH22 ARG 36 -12.216 -8.501 2.533
523 HA PRO 37 HA PRO 37 -10.613 0.365 7.708
524 HA PRO 37 HA PRO 37 -9.274 -0.172 8.393
525 HB2 PRO 37 HB2 PRO 37 -12.334 1.392 5.878
526 HB2 PRO 37 HB2 PRO 37 -11.136 1.385 7.175
527 HB3 PRO 37 HB3 PRO 37 -10.734 2.077 6.182
528 HB3 PRO 37 HB3 PRO 37 -9.427 1.823 7.262
529 HG2 PRO 37 HG2 PRO 37 -11.623 0.237 3.994
530 HG2 PRO 37 HG2 PRO 37 -10.952 0.579 5.006
531 HG3 PRO 37 HG3 PRO 37 -10.572 1.662 3.899
532 HG3 PRO 37 HG3 PRO 37 -9.743 1.874 4.959
533 HD2 PRO 37 HD2 PRO 37 -9.602 -0.866 3.933
534 HD2 PRO 37 HD2 PRO 37 -9.153 -0.692 4.328
535 HD3 PRO 37 HD3 PRO 37 -8.724 0.503 4.644
536 HD3 PRO 37 HD3 PRO 37 -7.974 0.400 5.082
537 H SER 38 H SER 38 -11.723 -1.161 8.841
538 H SER 38 H SER 38 -11.389 -0.112 9.434
539 HA SER 38 HA SER 38 -13.394 -3.134 7.764
540 HA SER 38 HA SER 38 -13.095 -2.325 8.520
541 HB2 SER 38 HB2 SER 38 -14.419 -2.742 10.277
542 HB2 SER 38 HB2 SER 38 -12.050 -2.603 10.749
543 HB3 SER 38 HB3 SER 38 -13.011 -3.736 9.910
544 HB3 SER 38 HB3 SER 38 -12.859 -1.134 11.295
545 HG SER 38 HG SER 38 -12.424 -2.293 11.495
546 HG SER 38 HG SER 38 -13.941 -3.174 11.798
547 H GLY 39 H GLY 39 -14.085 0.142 8.894
548 H GLY 39 H GLY 39 -15.444 -2.069 9.384
549 HA2 GLY 39 HA2 GLY 39 -15.812 1.499 8.041
550 HA2 GLY 39 HA2 GLY 39 -16.325 0.692 8.802
551 HA3 GLY 39 HA3 GLY 39 -16.611 0.057 7.430
552 HA3 GLY 39 HA3 GLY 39 -17.168 -0.724 8.192
Start of MODEL 12
1 H1 SER 5 H SER 5 -11.079 -5.139 -3.112
2 H1 SER 5 H SER 5 -11.464 -5.339 -4.012
3 HA SER 5 HA SER 5 -12.476 -3.961 -5.393
4 HA SER 5 HA SER 5 -13.452 -4.348 -5.164
5 HB2 SER 5 HB2 SER 5 -11.596 -6.246 -5.643
6 HB2 SER 5 HB2 SER 5 -14.806 -6.482 -5.226
7 HB3 SER 5 HB3 SER 5 -12.580 -6.776 -4.278
8 HB3 SER 5 HB3 SER 5 -13.094 -6.675 -5.603
9 HG SER 5 HG SER 5 -13.652 -7.252 -6.192
10 HG SER 5 HG SER 5 -12.786 -7.362 -3.437
11 H LYS 6 H LYS 6 -13.094 -5.239 -2.166
12 H LYS 6 H LYS 6 -14.490 -6.170 -2.281
13 HA LYS 6 HA LYS 6 -15.838 -4.174 -2.338
14 HA LYS 6 HA LYS 6 -16.855 -4.519 -2.055
15 HB2 LYS 6 HB2 LYS 6 -14.830 -6.397 -0.553
16 HB2 LYS 6 HB2 LYS 6 -17.397 -6.016 -0.141
17 HB3 LYS 6 HB3 LYS 6 -16.489 -5.822 -0.661
18 HB3 LYS 6 HB3 LYS 6 -17.116 -6.878 -1.647
19 HG2 LYS 6 HG2 LYS 6 -16.783 -6.728 -2.801
20 HG2 LYS 6 HG2 LYS 6 -14.623 -6.776 -0.429
21 HG3 LYS 6 HG3 LYS 6 -15.047 -6.937 -3.042
22 HG3 LYS 6 HG3 LYS 6 -15.754 -7.098 0.887
23 HD2 LYS 6 HD2 LYS 6 -16.001 -9.088 -2.604
24 HD2 LYS 6 HD2 LYS 6 -15.711 -8.642 -1.702
25 HD3 LYS 6 HD3 LYS 6 -15.066 -8.608 -1.187
26 HD3 LYS 6 HD3 LYS 6 -14.842 -9.141 -0.250
27 HE2 LYS 6 HE2 LYS 6 -17.066 -9.476 -0.322
28 HE2 LYS 6 HE2 LYS 6 -17.822 -8.765 -0.526
29 HE3 LYS 6 HE3 LYS 6 -17.264 -7.727 -0.243
30 HE3 LYS 6 HE3 LYS 6 -16.964 -10.300 -0.392
31 HZ1 LYS 6 HZ1 LYS 6 -18.748 -9.669 -1.752
32 HZ1 LYS 6 HZ1 LYS 6 -17.825 -8.540 1.666
33 HZ2 LYS 6 HZ2 LYS 6 -18.243 -8.352 -2.690
34 HZ2 LYS 6 HZ2 LYS 6 -16.161 -8.823 1.782
35 HZ3 LYS 6 HZ3 LYS 6 -19.174 -8.094 -1.301
36 HZ3 LYS 6 HZ3 LYS 6 -17.243 -10.124 1.788
37 H LEU 7 H LEU 7 -15.663 -2.172 -1.485
38 H LEU 7 H LEU 7 -15.127 -2.681 -1.753
39 HA LEU 7 HA LEU 7 -14.683 -1.995 1.279
40 HA LEU 7 HA LEU 7 -14.079 -2.426 0.917
41 HB2 LEU 7 HB2 LEU 7 -14.328 0.433 -0.317
42 HB2 LEU 7 HB2 LEU 7 -13.965 -0.903 -1.599
43 HB3 LEU 7 HB3 LEU 7 -13.255 -0.318 0.864
44 HB3 LEU 7 HB3 LEU 7 -13.892 0.068 -0.131
45 HG LEU 7 HG LEU 7 -13.552 -1.262 -1.985
46 HG LEU 7 HG LEU 7 -11.902 -1.065 0.590
47 HD11 LEU 7 HD11 LEU 7 -11.351 0.427 -0.809
48 HD11 LEU 7 HD11 LEU 7 -12.758 -3.045 -1.367
49 HD12 LEU 7 HD12 LEU 7 -12.651 1.046 -1.828
50 HD12 LEU 7 HD12 LEU 7 -11.721 -3.221 0.047
51 HD13 LEU 7 HD13 LEU 7 -11.502 -0.123 -2.479
52 HD13 LEU 7 HD13 LEU 7 -11.041 -2.656 -1.478
53 HD21 LEU 7 HD21 LEU 7 -12.458 -3.038 -1.214
54 HD21 LEU 7 HD21 LEU 7 -10.546 -0.727 -1.696
55 HD22 LEU 7 HD22 LEU 7 -12.225 -2.291 0.367
56 HD22 LEU 7 HD22 LEU 7 -11.103 0.614 -0.696
57 HD23 LEU 7 HD23 LEU 7 -11.077 -1.976 -0.936
58 HD23 LEU 7 HD23 LEU 7 -12.034 0.124 -2.112
59 HA PRO 8 HA PRO 8 -18.458 0.054 2.181
60 HA PRO 8 HA PRO 8 -17.454 -0.436 2.898
61 HB2 PRO 8 HB2 PRO 8 -17.684 1.732 4.171
62 HB2 PRO 8 HB2 PRO 8 -16.164 1.302 4.537
63 HB3 PRO 8 HB3 PRO 8 -17.830 -0.016 4.391
64 HB3 PRO 8 HB3 PRO 8 -16.184 -0.444 4.813
65 HG2 PRO 8 HG2 PRO 8 -15.383 1.631 3.882
66 HG2 PRO 8 HG2 PRO 8 -14.056 1.254 3.567
67 HG3 PRO 8 HG3 PRO 8 -15.612 0.288 5.017
68 HG3 PRO 8 HG3 PRO 8 -13.891 -0.070 4.732
69 HD2 PRO 8 HD2 PRO 8 -14.386 -0.019 2.622
70 HD2 PRO 8 HD2 PRO 8 -13.436 -0.398 2.084
71 HD3 PRO 8 HD3 PRO 8 -15.347 -1.308 3.376
72 HD3 PRO 8 HD3 PRO 8 -14.085 -1.695 3.108
73 HA PRO 9 HA PRO 9 -18.826 3.956 0.189
74 HA PRO 9 HA PRO 9 -18.522 3.401 1.034
75 HB2 PRO 9 HB2 PRO 9 -20.629 5.279 1.730
76 HB2 PRO 9 HB2 PRO 9 -19.873 4.683 3.010
77 HB3 PRO 9 HB3 PRO 9 -21.067 3.919 0.689
78 HB3 PRO 9 HB3 PRO 9 -20.529 3.288 2.144
79 HG2 PRO 9 HG2 PRO 9 -20.545 3.957 3.637
80 HG2 PRO 9 HG2 PRO 9 -19.203 3.400 4.826
81 HG3 PRO 9 HG3 PRO 9 -21.825 3.122 2.738
82 HG3 PRO 9 HG3 PRO 9 -20.648 2.503 4.330
83 HD2 PRO 9 HD2 PRO 9 -19.601 1.853 3.620
84 HD2 PRO 9 HD2 PRO 9 -18.217 1.335 4.560
85 HD3 PRO 9 HD3 PRO 9 -20.440 1.386 2.126
86 HD3 PRO 9 HD3 PRO 9 -19.420 0.808 3.364
87 H GLY 10 H GLY 10 -16.874 5.015 0.340
88 H GLY 10 H GLY 10 -17.500 5.268 0.605
89 HA2 GLY 10 HA2 GLY 10 -16.462 7.407 1.320
90 HA2 GLY 10 HA2 GLY 10 -16.417 7.287 1.027
91 HA3 GLY 10 HA3 GLY 10 -16.268 6.485 2.801
92 HA3 GLY 10 HA3 GLY 10 -16.366 6.875 2.735
93 H TRP 11 H TRP 11 -15.059 4.220 1.293
94 H TRP 11 H TRP 11 -15.182 4.938 0.026
95 HA TRP 11 HA TRP 11 -12.370 5.382 1.065
96 HA TRP 11 HA TRP 11 -12.424 5.570 0.699
97 HB2 TRP 11 HB2 TRP 11 -13.349 2.610 1.725
98 HB2 TRP 11 HB2 TRP 11 -13.639 2.830 1.043
99 HB3 TRP 11 HB3 TRP 11 -11.675 2.918 1.273
100 HB3 TRP 11 HB3 TRP 11 -11.907 3.072 0.827
101 HD1 TRP 11 HD1 TRP 11 -14.085 3.216 4.162
102 HD1 TRP 11 HD1 TRP 11 -14.685 3.452 3.389
103 HE1 TRP 11 HE1 TRP 11 -12.827 4.065 6.240
104 HE1 TRP 11 HE1 TRP 11 -13.645 4.020 5.674
105 HE3 TRP 11 HE3 TRP 11 -9.652 4.497 1.961
106 HE3 TRP 11 HE3 TRP 11 -9.862 4.274 1.907
107 HZ2 TRP 11 HZ2 TRP 11 -10.291 5.136 6.866
108 HZ2 TRP 11 HZ2 TRP 11 -11.116 4.724 6.710
109 HZ3 TRP 11 HZ3 TRP 11 -7.863 5.427 3.370
110 HZ3 TRP 11 HZ3 TRP 11 -8.195 4.891 3.607
111 HH2 TRP 11 HH2 TRP 11 -8.177 5.740 5.769
112 HH2 TRP 11 HH2 TRP 11 -8.811 5.111 5.960
113 H GLU 12 H GLU 12 -11.339 5.429 -0.829
114 H GLU 12 H GLU 12 -10.968 5.144 -0.953
115 HA GLU 12 HA GLU 12 -12.401 3.781 -3.028
116 HA GLU 12 HA GLU 12 -12.054 3.960 -3.410
117 HB2 GLU 12 HB2 GLU 12 -13.048 5.944 -3.635
118 HB2 GLU 12 HB2 GLU 12 -10.550 6.574 -3.219
119 HB3 GLU 12 HB3 GLU 12 -11.581 6.667 -2.990
120 HB3 GLU 12 HB3 GLU 12 -10.915 5.744 -4.724
121 HG2 GLU 12 HG2 GLU 12 -10.310 6.031 -4.829
122 HG2 GLU 12 HG2 GLU 12 -13.010 6.673 -2.778
123 HG3 GLU 12 HG3 GLU 12 -11.480 4.814 -5.336
124 HG3 GLU 12 HG3 GLU 12 -12.447 7.626 -4.152
125 H LYS 13 H LYS 13 -10.978 2.517 -4.039
126 H LYS 13 H LYS 13 -10.620 2.800 -4.633
127 HA LYS 13 HA LYS 13 -8.329 2.245 -3.101
128 HA LYS 13 HA LYS 13 -8.082 2.169 -3.341
129 HB2 LYS 13 HB2 LYS 13 -9.844 0.502 -4.249
130 HB2 LYS 13 HB2 LYS 13 -9.464 0.288 -3.983
131 HB3 LYS 13 HB3 LYS 13 -9.283 1.207 -5.760
132 HB3 LYS 13 HB3 LYS 13 -9.556 0.874 -5.640
133 HG2 LYS 13 HG2 LYS 13 -7.033 0.594 -5.307
134 HG2 LYS 13 HG2 LYS 13 -7.073 0.576 -5.787
135 HG3 LYS 13 HG3 LYS 13 -7.429 0.134 -3.650
136 HG3 LYS 13 HG3 LYS 13 -7.144 -0.218 -4.211
137 HD2 LYS 13 HD2 LYS 13 -9.123 -1.473 -4.951
138 HD2 LYS 13 HD2 LYS 13 -8.985 -1.177 -6.339
139 HD3 LYS 13 HD3 LYS 13 -7.876 -1.324 -6.191
140 HD3 LYS 13 HD3 LYS 13 -7.274 -1.585 -6.482
141 HE2 LYS 13 HE2 LYS 13 -7.305 -2.080 -3.331
142 HE2 LYS 13 HE2 LYS 13 -8.846 -2.062 -3.963
143 HE3 LYS 13 HE3 LYS 13 -7.600 -3.258 -4.608
144 HE3 LYS 13 HE3 LYS 13 -8.762 -3.249 -5.262
145 HZ1 LYS 13 HZ1 LYS 13 -5.614 -1.292 -5.289
146 HZ1 LYS 13 HZ1 LYS 13 -7.035 -3.907 -3.937
147 HZ2 LYS 13 HZ2 LYS 13 -5.560 -2.977 -5.430
148 HZ2 LYS 13 HZ2 LYS 13 -6.647 -2.336 -3.444
149 HZ3 LYS 13 HZ3 LYS 13 -5.185 -2.239 -3.954
150 HZ3 LYS 13 HZ3 LYS 13 -6.215 -2.866 -4.991
151 H ARG 14 H ARG 14 -6.352 2.712 -4.088
152 H ARG 14 H ARG 14 -6.448 3.477 -3.860
153 HA ARG 14 HA ARG 14 -6.342 4.348 -6.496
154 HA ARG 14 HA ARG 14 -6.145 4.286 -6.675
155 HB2 ARG 14 HB2 ARG 14 -5.892 5.391 -3.790
156 HB2 ARG 14 HB2 ARG 14 -4.946 5.598 -4.229
157 HB3 ARG 14 HB3 ARG 14 -4.605 5.779 -4.924
158 HB3 ARG 14 HB3 ARG 14 -4.859 6.186 -5.883
159 HG2 ARG 14 HG2 ARG 14 -6.637 6.471 -6.457
160 HG2 ARG 14 HG2 ARG 14 -7.592 5.765 -5.000
161 HG3 ARG 14 HG3 ARG 14 -7.441 6.651 -4.895
162 HG3 ARG 14 HG3 ARG 14 -6.715 6.915 -3.989
163 HD2 ARG 14 HD2 ARG 14 -6.247 8.477 -4.353
164 HD2 ARG 14 HD2 ARG 14 -7.026 7.031 -6.987
165 HD3 ARG 14 HD3 ARG 14 -4.755 7.820 -5.026
166 HD3 ARG 14 HD3 ARG 14 -7.831 8.067 -5.810
167 HE ARG 14 HE ARG 14 -6.652 8.614 -7.027
168 HE ARG 14 HE ARG 14 -5.112 8.344 -5.377
169 HH11 ARG 14 HH11 ARG 14 -4.101 9.705 -4.926
170 HH11 ARG 14 HH11 ARG 14 -7.379 8.937 -7.952
171 HH12 ARG 14 HH12 ARG 14 -3.685 11.062 -5.919
172 HH12 ARG 14 HH12 ARG 14 -6.478 10.258 -8.618
173 HH21 ARG 14 HH21 ARG 14 -6.115 10.397 -8.344
174 HH21 ARG 14 HH21 ARG 14 -3.916 10.081 -6.247
175 HH22 ARG 14 HH22 ARG 14 -4.832 11.454 -7.863
176 HH22 ARG 14 HH22 ARG 14 -4.507 10.906 -7.648
177 H MET 15 H MET 15 -4.076 4.809 -7.223
178 H MET 15 H MET 15 -3.837 4.597 -7.366
179 HA MET 15 HA MET 15 -2.314 2.569 -6.480
180 HA MET 15 HA MET 15 -2.014 2.699 -6.068
181 HB2 MET 15 HB2 MET 15 -3.399 3.026 -8.934
182 HB2 MET 15 HB2 MET 15 -2.942 1.428 -7.867
183 HB3 MET 15 HB3 MET 15 -1.867 3.876 -9.085
184 HB3 MET 15 HB3 MET 15 -2.755 2.768 -8.991
185 HG2 MET 15 HG2 MET 15 -1.223 1.436 -7.912
186 HG2 MET 15 HG2 MET 15 -0.552 2.366 -9.327
187 HG3 MET 15 HG3 MET 15 -2.420 1.053 -9.147
188 HG3 MET 15 HG3 MET 15 -0.302 1.749 -7.695
189 HE1 MET 15 HE1 MET 15 1.411 0.395 -10.014
190 HE1 MET 15 HE1 MET 15 0.930 0.928 -10.188
191 HE2 MET 15 HE2 MET 15 0.026 -0.195 -9.095
192 HE2 MET 15 HE2 MET 15 1.205 -0.684 -9.525
193 HE3 MET 15 HE3 MET 15 0.021 -0.294 -10.857
194 HE3 MET 15 HE3 MET 15 0.338 -0.493 -11.051
195 H SER 16 H SER 16 -0.004 3.327 -7.713
196 H SER 16 H SER 16 -0.007 3.460 -5.828
197 HA SER 16 HA SER 16 0.662 5.921 -6.486
198 HA SER 16 HA SER 16 0.656 6.114 -6.377
199 HB2 SER 16 HB2 SER 16 2.634 5.068 -5.521
200 HB2 SER 16 HB2 SER 16 1.744 4.588 -4.673
201 HB3 SER 16 HB3 SER 16 1.428 3.824 -5.193
202 HB3 SER 16 HB3 SER 16 2.658 3.880 -6.004
203 HG SER 16 HG SER 16 3.507 3.817 -7.098
204 HG SER 16 HG SER 16 2.646 6.653 -5.419
205 H ARG 17 H ARG 17 2.777 6.795 -7.315
206 H ARG 17 H ARG 17 2.990 6.436 -7.542
207 HA ARG 17 HA ARG 17 3.472 5.923 -10.008
208 HA ARG 17 HA ARG 17 2.800 5.228 -10.217
209 HB2 ARG 17 HB2 ARG 17 1.597 7.673 -10.086
210 HB2 ARG 17 HB2 ARG 17 1.793 7.395 -10.441
211 HB3 ARG 17 HB3 ARG 17 2.803 8.818 -9.513
212 HB3 ARG 17 HB3 ARG 17 3.104 8.157 -9.551
213 HG2 ARG 17 HG2 ARG 17 4.200 8.033 -11.522
214 HG2 ARG 17 HG2 ARG 17 4.650 7.626 -11.365
215 HG3 ARG 17 HG3 ARG 17 2.683 7.362 -12.125
216 HG3 ARG 17 HG3 ARG 17 3.338 6.852 -12.256
217 HD2 ARG 17 HD2 ARG 17 3.352 10.236 -11.533
218 HD2 ARG 17 HD2 ARG 17 3.661 9.760 -11.562
219 HD3 ARG 17 HD3 ARG 17 2.881 9.520 -13.074
220 HD3 ARG 17 HD3 ARG 17 3.561 9.024 -13.161
221 HE ARG 17 HE ARG 17 0.745 9.058 -11.450
222 HE ARG 17 HE ARG 17 1.185 8.390 -12.025
223 HH11 ARG 17 HH11 ARG 17 2.539 11.894 -12.377
224 HH11 ARG 17 HH11 ARG 17 2.916 11.378 -12.468
225 HH12 ARG 17 HH12 ARG 17 1.181 12.962 -12.232
226 HH12 ARG 17 HH12 ARG 17 1.483 12.344 -12.574
227 HH21 ARG 17 HH21 ARG 17 -1.050 10.452 -11.256
228 HH21 ARG 17 HH21 ARG 17 -0.711 9.654 -12.162
229 HH22 ARG 17 HH22 ARG 17 -0.860 12.139 -11.594
230 HH22 ARG 17 HH22 ARG 17 -0.580 11.363 -12.399
231 H ASN 18 H ASN 18 4.878 5.822 -7.526
232 H ASN 18 H ASN 18 4.777 6.895 -7.822
233 HA ASN 18 HA ASN 18 7.208 7.425 -8.269
234 HA ASN 18 HA ASN 18 7.214 6.178 -9.264
235 HB2 ASN 18 HB2 ASN 18 5.677 7.627 -5.742
236 HB2 ASN 18 HB2 ASN 18 6.925 7.759 -6.701
237 HB3 ASN 18 HB3 ASN 18 7.430 7.574 -5.579
238 HB3 ASN 18 HB3 ASN 18 8.376 7.614 -7.690
239 HD21 ASN 18 HD21 ASN 18 6.547 9.780 -4.691
240 HD21 ASN 18 HD21 ASN 18 7.824 8.169 -10.113
241 HD22 ASN 18 HD22 ASN 18 6.680 11.094 -5.805
242 HD22 ASN 18 HD22 ASN 18 7.014 9.679 -10.317
243 H SER 19 H SER 19 6.091 5.073 -5.831
244 H SER 19 H SER 19 5.472 4.192 -7.924
245 HA SER 19 HA SER 19 8.634 3.640 -6.154
246 HA SER 19 HA SER 19 7.565 2.758 -6.556
247 HB2 SER 19 HB2 SER 19 8.410 2.846 -3.975
248 HB2 SER 19 HB2 SER 19 6.228 2.367 -4.497
249 HB3 SER 19 HB3 SER 19 7.692 4.451 -3.853
250 HB3 SER 19 HB3 SER 19 6.701 4.055 -4.689
251 HG SER 19 HG SER 19 6.445 1.937 -3.874
252 HG SER 19 HG SER 19 4.543 4.012 -4.151
253 H GLY 20 H GLY 20 5.125 3.125 -6.016
254 H GLY 20 H GLY 20 3.997 2.683 -6.715
255 HA2 GLY 20 HA2 GLY 20 4.151 1.656 -7.713
256 HA2 GLY 20 HA2 GLY 20 2.859 1.175 -8.233
257 HA3 GLY 20 HA3 GLY 20 5.548 0.609 -7.506
258 HA3 GLY 20 HA3 GLY 20 4.220 0.072 -8.074
259 H ARG 21 H ARG 21 2.390 1.356 -6.452
260 H ARG 21 H ARG 21 2.907 1.692 -5.287
261 HA ARG 21 HA ARG 21 1.988 -1.053 -5.132
262 HA ARG 21 HA ARG 21 1.921 -0.903 -4.320
263 HB2 ARG 21 HB2 ARG 21 3.440 0.766 -3.532
264 HB2 ARG 21 HB2 ARG 21 3.233 1.416 -3.025
265 HB3 ARG 21 HB3 ARG 21 1.809 0.722 -2.879
266 HB3 ARG 21 HB3 ARG 21 1.980 0.607 -2.091
267 HG2 ARG 21 HG2 ARG 21 2.053 -1.352 -2.072
268 HG2 ARG 21 HG2 ARG 21 3.186 -1.318 -1.873
269 HG3 ARG 21 HG3 ARG 21 2.924 -1.911 -3.501
270 HG3 ARG 21 HG3 ARG 21 4.078 -1.060 -3.376
271 HD2 ARG 21 HD2 ARG 21 4.227 -1.885 -1.331
272 HD2 ARG 21 HD2 ARG 21 5.392 -0.806 -1.224
273 HD3 ARG 21 HD3 ARG 21 4.977 -1.069 -2.701
274 HD3 ARG 21 HD3 ARG 21 5.505 0.525 -2.376
275 HE ARG 21 HE ARG 21 4.795 0.922 -1.577
276 HE ARG 21 HE ARG 21 4.462 1.890 -0.857
277 HH11 ARG 21 HH11 ARG 21 2.806 -1.472 -0.016
278 HH11 ARG 21 HH11 ARG 21 4.096 -1.430 0.131
279 HH12 ARG 21 HH12 ARG 21 2.456 -0.475 1.355
280 HH12 ARG 21 HH12 ARG 21 3.431 -1.033 1.679
281 HH21 ARG 21 HH21 ARG 21 4.339 2.244 0.224
282 HH21 ARG 21 HH21 ARG 21 3.584 2.424 1.180
283 HH22 ARG 21 HH22 ARG 21 3.325 1.639 1.492
284 HH22 ARG 21 HH22 ARG 21 3.138 1.160 2.275
285 H VAL 22 H VAL 22 0.102 -0.459 -3.237
286 H VAL 22 H VAL 22 -0.185 -1.196 -3.964
287 HA VAL 22 HA VAL 22 -1.771 1.426 -4.463
288 HA VAL 22 HA VAL 22 -2.042 0.918 -4.560
289 HB VAL 22 HB VAL 22 -3.600 -0.341 -4.176
290 HB VAL 22 HB VAL 22 -2.518 -1.916 -3.628
291 HG11 VAL 22 HG11 VAL 22 -3.193 0.252 -6.368
292 HG11 VAL 22 HG11 VAL 22 -4.387 -0.479 -3.016
293 HG12 VAL 22 HG12 VAL 22 -1.521 -0.311 -6.322
294 HG12 VAL 22 HG12 VAL 22 -4.478 0.128 -4.671
295 HG13 VAL 22 HG13 VAL 22 -2.844 -1.476 -6.396
296 HG13 VAL 22 HG13 VAL 22 -4.840 -1.564 -4.330
297 HG21 VAL 22 HG21 VAL 22 -1.318 -2.275 -4.460
298 HG21 VAL 22 HG21 VAL 22 -1.628 -0.975 -6.080
299 HG22 VAL 22 HG22 VAL 22 -2.028 -1.879 -2.896
300 HG22 VAL 22 HG22 VAL 22 -2.339 -2.557 -5.756
301 HG23 VAL 22 HG23 VAL 22 -3.019 -2.623 -4.150
302 HG23 VAL 22 HG23 VAL 22 -3.358 -1.230 -6.315
303 H TYR 23 H TYR 23 -3.743 1.718 -3.085
304 H TYR 23 H TYR 23 -3.412 1.974 -3.183
305 HA TYR 23 HA TYR 23 -3.717 0.885 -0.366
306 HA TYR 23 HA TYR 23 -3.393 1.301 -0.348
307 HB2 TYR 23 HB2 TYR 23 -3.437 3.304 0.501
308 HB2 TYR 23 HB2 TYR 23 -2.832 3.564 0.348
309 HB3 TYR 23 HB3 TYR 23 -1.989 2.399 0.076
310 HB3 TYR 23 HB3 TYR 23 -1.538 2.904 -0.646
311 HD1 TYR 23 HD1 TYR 23 -4.119 5.231 -0.767
312 HD1 TYR 23 HD1 TYR 23 -4.279 5.344 -0.513
313 HD2 TYR 23 HD2 TYR 23 -0.735 2.947 -1.964
314 HD2 TYR 23 HD2 TYR 23 -1.030 3.838 -2.810
315 HE1 TYR 23 HE1 TYR 23 -3.453 7.033 -2.304
316 HE1 TYR 23 HE1 TYR 23 -4.421 7.306 -1.988
317 HE2 TYR 23 HE2 TYR 23 -0.059 4.743 -3.502
318 HE2 TYR 23 HE2 TYR 23 -1.162 5.798 -4.291
319 HH TYR 23 HH TYR 23 -0.457 6.826 -4.189
320 HH TYR 23 HH TYR 23 -3.700 8.234 -3.894
321 H TYR 24 H TYR 24 -5.217 2.646 0.905
322 H TYR 24 H TYR 24 -4.889 2.961 0.841
323 HA TYR 24 HA TYR 24 -7.566 3.002 -0.837
324 HA TYR 24 HA TYR 24 -7.235 3.465 -0.873
325 HB2 TYR 24 HB2 TYR 24 -7.646 2.673 2.160
326 HB2 TYR 24 HB2 TYR 24 -7.380 2.683 2.038
327 HB3 TYR 24 HB3 TYR 24 -8.978 2.531 1.019
328 HB3 TYR 24 HB3 TYR 24 -8.695 2.749 0.869
329 HD1 TYR 24 HD1 TYR 24 -5.922 0.888 2.278
330 HD1 TYR 24 HD1 TYR 24 -6.330 0.657 2.470
331 HD2 TYR 24 HD2 TYR 24 -9.415 0.481 -0.118
332 HD2 TYR 24 HD2 TYR 24 -8.503 1.124 -1.157
333 HE1 TYR 24 HE1 TYR 24 -5.544 -1.538 2.151
334 HE1 TYR 24 HE1 TYR 24 -5.992 -1.727 1.969
335 HE2 TYR 24 HE2 TYR 24 -9.047 -1.947 -0.252
336 HE2 TYR 24 HE2 TYR 24 -8.173 -1.260 -1.669
337 HH TYR 24 HH TYR 24 -7.081 -3.525 -0.051
338 HH TYR 24 HH TYR 24 -7.340 -3.504 0.483
339 H PHE 25 H PHE 25 -8.555 4.944 -0.927
340 H PHE 25 H PHE 25 -8.316 5.366 -0.601
341 HA PHE 25 HA PHE 25 -7.458 7.087 0.772
342 HA PHE 25 HA PHE 25 -7.380 7.182 1.510
343 HB2 PHE 25 HB2 PHE 25 -6.809 7.356 -1.576
344 HB2 PHE 25 HB2 PHE 25 -6.193 7.942 -0.401
345 HB3 PHE 25 HB3 PHE 25 -8.500 7.277 -2.062
346 HB3 PHE 25 HB3 PHE 25 -7.601 7.762 -1.440
347 HD1 PHE 25 HD1 PHE 25 -6.388 9.200 0.345
348 HD1 PHE 25 HD1 PHE 25 -6.347 9.687 1.480
349 HD2 PHE 25 HD2 PHE 25 -9.506 9.271 -2.552
350 HD2 PHE 25 HD2 PHE 25 -8.971 9.579 -1.867
351 HE1 PHE 25 HE1 PHE 25 -6.571 11.640 0.606
352 HE1 PHE 25 HE1 PHE 25 -6.923 12.049 1.861
353 HE2 PHE 25 HE2 PHE 25 -9.692 11.711 -2.295
354 HE2 PHE 25 HE2 PHE 25 -9.552 11.940 -1.494
355 HZ PHE 25 HZ PHE 25 -8.224 12.898 -0.716
356 HZ PHE 25 HZ PHE 25 -8.527 13.179 0.372
357 H ASN 26 H ASN 26 -8.863 7.832 2.202
358 H ASN 26 H ASN 26 -8.902 8.587 2.336
359 HA ASN 26 HA ASN 26 -11.714 7.403 1.804
360 HA ASN 26 HA ASN 26 -11.674 8.007 1.556
361 HB2 ASN 26 HB2 ASN 26 -10.743 6.834 3.981
362 HB2 ASN 26 HB2 ASN 26 -10.838 7.636 3.955
363 HB3 ASN 26 HB3 ASN 26 -10.195 8.497 4.182
364 HB3 ASN 26 HB3 ASN 26 -10.815 9.390 4.092
365 HD21 ASN 26 HD21 ASN 26 -12.828 6.313 4.403
366 HD21 ASN 26 HD21 ASN 26 -12.428 7.388 5.494
367 HD22 ASN 26 HD22 ASN 26 -13.986 7.425 5.045
368 HD22 ASN 26 HD22 ASN 26 -14.074 7.830 5.211
369 H HIS 27 H HIS 27 -12.774 8.884 0.666
370 H HIS 27 H HIS 27 -12.832 9.507 0.547
371 HA HIS 27 HA HIS 27 -11.897 11.660 0.674
372 HA HIS 27 HA HIS 27 -11.717 12.124 0.076
373 HB2 HIS 27 HB2 HIS 27 -13.505 11.977 -1.132
374 HB2 HIS 27 HB2 HIS 27 -13.800 12.445 -1.294
375 HB3 HIS 27 HB3 HIS 27 -12.486 10.579 -1.465
376 HB3 HIS 27 HB3 HIS 27 -12.812 11.071 -1.777
377 HD1 HIS 27 HD1 HIS 27 -14.925 10.498 -3.032
378 HD1 HIS 27 HD1 HIS 27 -16.079 11.919 -0.140
379 HD2 HIS 27 HD2 HIS 27 -14.894 9.158 0.900
380 HD2 HIS 27 HD2 HIS 27 -14.020 8.584 -1.515
381 HE1 HIS 27 HE1 HIS 27 -16.903 8.958 -2.832
382 HE1 HIS 27 HE1 HIS 27 -17.747 10.036 -0.105
383 H ILE 28 H ILE 28 -12.796 10.952 3.151
384 H ILE 28 H ILE 28 -13.890 10.718 2.308
385 HA ILE 28 HA ILE 28 -15.252 12.544 3.357
386 HA ILE 28 HA ILE 28 -15.303 13.170 2.905
387 HB ILE 28 HB ILE 28 -14.757 9.882 4.678
388 HB ILE 28 HB ILE 28 -15.296 10.514 4.345
389 HG12 ILE 28 HG12 ILE 28 -15.847 10.009 2.402
390 HG12 ILE 28 HG12 ILE 28 -17.258 11.752 2.402
391 HG13 ILE 28 HG13 ILE 28 -16.809 9.221 3.649
392 HG13 ILE 28 HG13 ILE 28 -16.237 10.350 2.105
393 HG21 ILE 28 HG21 ILE 28 -15.666 10.793 6.516
394 HG21 ILE 28 HG21 ILE 28 -17.101 12.904 4.698
395 HG22 ILE 28 HG22 ILE 28 -16.278 12.195 5.640
396 HG22 ILE 28 HG22 ILE 28 -17.287 11.344 5.498
397 HG23 ILE 28 HG23 ILE 28 -17.181 10.681 5.620
398 HG23 ILE 28 HG23 ILE 28 -15.879 12.350 5.842
399 HD11 ILE 28 HD11 ILE 28 -17.374 12.040 3.550
400 HD11 ILE 28 HD11 ILE 28 -18.393 9.524 2.546
401 HD12 ILE 28 HD12 ILE 28 -17.593 11.289 1.970
402 HD12 ILE 28 HD12 ILE 28 -17.452 9.225 4.007
403 HD13 ILE 28 HD13 ILE 28 -18.461 10.662 3.371
404 HD13 ILE 28 HD13 ILE 28 -18.590 10.572 3.951
405 H THR 29 H THR 29 -12.451 11.158 5.012
406 H THR 29 H THR 29 -12.906 11.102 4.523
407 HA THR 29 HA THR 29 -12.486 13.475 6.837
408 HA THR 29 HA THR 29 -12.524 13.110 6.599
409 HB THR 29 HB THR 29 -10.975 11.240 7.889
410 HB THR 29 HB THR 29 -10.694 11.290 7.262
411 HG1 THR 29 HG1 THR 29 -13.742 10.724 7.844
412 HG1 THR 29 HG1 THR 29 -11.854 9.200 6.672
413 HG21 THR 29 HG21 THR 29 -13.095 13.130 8.771
414 HG21 THR 29 HG21 THR 29 -12.420 10.164 8.618
415 HG22 THR 29 HG22 THR 29 -11.523 12.777 9.490
416 HG22 THR 29 HG22 THR 29 -13.670 10.954 7.656
417 HG23 THR 29 HG23 THR 29 -12.864 11.652 9.705
418 HG23 THR 29 HG23 THR 29 -12.583 11.919 8.654
419 H ASN 30 H ASN 30 -11.158 13.145 4.229
420 H ASN 30 H ASN 30 -11.128 12.141 3.631
421 HA ASN 30 HA ASN 30 -9.121 13.397 3.226
422 HA ASN 30 HA ASN 30 -9.341 12.897 2.445
423 HB2 ASN 30 HB2 ASN 30 -8.967 15.050 5.724
424 HB2 ASN 30 HB2 ASN 30 -10.256 15.111 3.466
425 HB3 ASN 30 HB3 ASN 30 -7.569 14.942 4.657
426 HB3 ASN 30 HB3 ASN 30 -8.845 15.016 4.514
427 HD21 ASN 30 HD21 ASN 30 -7.882 15.562 2.416
428 HD21 ASN 30 HD21 ASN 30 -6.766 14.509 3.242
429 HD22 ASN 30 HD22 ASN 30 -9.032 16.794 2.039
430 HD22 ASN 30 HD22 ASN 30 -6.523 15.454 1.816
431 H ALA 31 H ALA 31 -9.385 10.969 4.704
432 H ALA 31 H ALA 31 -8.637 10.754 3.643
433 HA ALA 31 HA ALA 31 -6.757 10.581 5.935
434 HA ALA 31 HA ALA 31 -5.906 11.221 4.486
435 HB1 ALA 31 HB1 ALA 31 -8.140 8.163 6.009
436 HB1 ALA 31 HB1 ALA 31 -7.711 9.624 6.291
437 HB2 ALA 31 HB2 ALA 31 -7.945 9.320 7.326
438 HB2 ALA 31 HB2 ALA 31 -6.027 10.071 6.567
439 HB3 ALA 31 HB3 ALA 31 -9.365 9.401 6.285
440 HB3 ALA 31 HB3 ALA 31 -7.282 11.311 6.581
441 H SER 32 H SER 32 -5.473 8.700 5.340
442 H SER 32 H SER 32 -4.587 9.338 4.377
443 HA SER 32 HA SER 32 -5.968 7.370 2.844
444 HA SER 32 HA SER 32 -5.808 7.154 2.819
445 HB2 SER 32 HB2 SER 32 -3.513 9.119 2.905
446 HB2 SER 32 HB2 SER 32 -4.063 8.668 1.693
447 HB3 SER 32 HB3 SER 32 -4.242 8.298 1.525
448 HB3 SER 32 HB3 SER 32 -2.883 7.882 2.739
449 HG SER 32 HG SER 32 -4.704 10.549 1.559
450 HG SER 32 HG SER 32 -2.933 6.224 1.462
451 H GLN 33 H GLN 33 -5.780 5.695 4.512
452 H GLN 33 H GLN 33 -5.019 5.018 3.169
453 HA GLN 33 HA GLN 33 -3.012 5.136 5.318
454 HA GLN 33 HA GLN 33 -3.305 4.523 5.450
455 HB2 GLN 33 HB2 GLN 33 -3.984 3.557 6.929
456 HB2 GLN 33 HB2 GLN 33 -5.518 4.804 6.484
457 HB3 GLN 33 HB3 GLN 33 -4.626 5.179 7.145
458 HB3 GLN 33 HB3 GLN 33 -6.170 3.560 5.425
459 HG2 GLN 33 HG2 GLN 33 -6.622 4.486 5.822
460 HG2 GLN 33 HG2 GLN 33 -4.760 1.893 6.449
461 HG3 GLN 33 HG3 GLN 33 -5.991 2.841 5.838
462 HG3 GLN 33 HG3 GLN 33 -3.983 3.121 7.446
463 HE21 GLN 33 HE21 GLN 33 -7.357 1.780 7.116
464 HE21 GLN 33 HE21 GLN 33 -6.877 1.268 6.909
465 HE22 GLN 33 HE22 GLN 33 -7.752 2.222 8.739
466 HE22 GLN 33 HE22 GLN 33 -7.614 1.596 8.436
467 H PHE 34 H PHE 34 -2.252 2.909 5.185
468 H PHE 34 H PHE 34 -2.179 2.672 5.231
469 HA PHE 34 HA PHE 34 -2.955 1.745 2.632
470 HA PHE 34 HA PHE 34 -2.497 1.177 2.789
471 HB2 PHE 34 HB2 PHE 34 -0.935 0.673 4.597
472 HB2 PHE 34 HB2 PHE 34 -0.559 0.851 5.087
473 HB3 PHE 34 HB3 PHE 34 -0.991 0.425 2.854
474 HB3 PHE 34 HB3 PHE 34 -0.486 -0.053 3.579
475 HD1 PHE 34 HD1 PHE 34 1.087 1.712 5.011
476 HD1 PHE 34 HD1 PHE 34 0.988 2.519 5.258
477 HD2 PHE 34 HD2 PHE 34 -1.387 3.145 1.857
478 HD2 PHE 34 HD2 PHE 34 -0.709 1.672 1.447
479 HE1 PHE 34 HE1 PHE 34 2.604 3.625 4.697
480 HE1 PHE 34 HE1 PHE 34 2.345 4.311 4.258
481 HE2 PHE 34 HE2 PHE 34 0.125 5.059 1.536
482 HE2 PHE 34 HE2 PHE 34 0.647 3.461 0.441
483 HZ PHE 34 HZ PHE 34 2.124 5.302 2.956
484 HZ PHE 34 HZ PHE 34 2.177 4.783 1.846
485 H GLU 35 H GLU 35 -3.443 1.085 6.010
486 H GLU 35 H GLU 35 -3.125 0.689 6.201
487 HA GLU 35 HA GLU 35 -4.132 -1.650 5.793
488 HA GLU 35 HA GLU 35 -3.643 -2.118 5.977
489 HB2 GLU 35 HB2 GLU 35 -3.590 -0.201 7.894
490 HB2 GLU 35 HB2 GLU 35 -4.475 -0.197 8.159
491 HB3 GLU 35 HB3 GLU 35 -5.313 0.153 7.879
492 HB3 GLU 35 HB3 GLU 35 -4.456 -1.952 8.269
493 HG2 GLU 35 HG2 GLU 35 -4.959 -1.657 9.371
494 HG2 GLU 35 HG2 GLU 35 -1.881 -0.902 7.476
495 HG3 GLU 35 HG3 GLU 35 -5.749 -2.297 7.931
496 HG3 GLU 35 HG3 GLU 35 -2.431 -0.216 9.004
497 H ARG 36 H ARG 36 -5.939 -2.621 5.127
498 H ARG 36 H ARG 36 -5.526 -3.167 5.626
499 HA ARG 36 HA ARG 36 -7.932 -1.295 3.714
500 HA ARG 36 HA ARG 36 -7.622 -1.909 4.283
501 HB2 ARG 36 HB2 ARG 36 -7.475 -3.679 3.435
502 HB2 ARG 36 HB2 ARG 36 -7.143 -4.311 4.097
503 HB3 ARG 36 HB3 ARG 36 -8.054 -3.997 5.065
504 HB3 ARG 36 HB3 ARG 36 -7.655 -4.544 5.762
505 HG2 ARG 36 HG2 ARG 36 -10.288 -3.141 4.361
506 HG2 ARG 36 HG2 ARG 36 -9.887 -3.474 4.908
507 HG3 ARG 36 HG3 ARG 36 -9.670 -3.049 2.710
508 HG3 ARG 36 HG3 ARG 36 -9.288 -4.006 3.334
509 HD2 ARG 36 HD2 ARG 36 -9.754 -5.282 2.418
510 HD2 ARG 36 HD2 ARG 36 -8.880 -6.165 5.064
511 HD3 ARG 36 HD3 ARG 36 -9.236 -5.620 4.070
512 HD3 ARG 36 HD3 ARG 36 -10.480 -5.542 5.462
513 HE ARG 36 HE ARG 36 -11.754 -4.713 4.405
514 HE ARG 36 HE ARG 36 -10.024 -5.874 2.641
515 HH11 ARG 36 HH11 ARG 36 -10.368 -7.152 2.344
516 HH11 ARG 36 HH11 ARG 36 -11.061 -7.421 5.582
517 HH12 ARG 36 HH12 ARG 36 -11.795 -8.132 2.322
518 HH12 ARG 36 HH12 ARG 36 -12.007 -8.624 4.771
519 HH21 ARG 36 HH21 ARG 36 -13.640 -5.994 4.386
520 HH21 ARG 36 HH21 ARG 36 -11.265 -7.454 1.560
521 HH22 ARG 36 HH22 ARG 36 -13.657 -7.472 3.482
522 HH22 ARG 36 HH22 ARG 36 -12.122 -8.642 2.483
523 HA PRO 37 HA PRO 37 -10.470 0.430 6.892
524 HA PRO 37 HA PRO 37 -9.566 -0.038 7.866
525 HB2 PRO 37 HB2 PRO 37 -12.657 0.948 5.371
526 HB2 PRO 37 HB2 PRO 37 -11.393 1.372 6.436
527 HB3 PRO 37 HB3 PRO 37 -11.181 1.916 5.291
528 HB3 PRO 37 HB3 PRO 37 -9.709 1.885 6.616
529 HG2 PRO 37 HG2 PRO 37 -12.109 -0.277 3.478
530 HG2 PRO 37 HG2 PRO 37 -11.019 0.458 4.335
531 HG3 PRO 37 HG3 PRO 37 -11.370 1.280 3.063
532 HG3 PRO 37 HG3 PRO 37 -9.861 1.800 4.299
533 HD2 PRO 37 HD2 PRO 37 -9.965 -1.034 3.098
534 HD2 PRO 37 HD2 PRO 37 -9.130 -0.769 3.858
535 HD3 PRO 37 HD3 PRO 37 -9.237 0.531 3.510
536 HD3 PRO 37 HD3 PRO 37 -8.052 0.411 4.630
537 H SER 38 H SER 38 -11.914 -0.335 8.341
538 H SER 38 H SER 38 -11.790 0.036 8.709
539 HA SER 38 HA SER 38 -12.842 -3.014 8.107
540 HA SER 38 HA SER 38 -13.557 -2.015 7.571
541 HB2 SER 38 HB2 SER 38 -14.034 -2.470 10.281
542 HB2 SER 38 HB2 SER 38 -12.294 -3.047 9.415
543 HB3 SER 38 HB3 SER 38 -12.286 -2.236 10.293
544 HB3 SER 38 HB3 SER 38 -12.837 -1.769 10.503
545 HG SER 38 HG SER 38 -12.857 -0.335 11.031
546 HG SER 38 HG SER 38 -14.639 -2.807 10.750
547 H GLY 39 H GLY 39 -14.617 0.073 8.405
548 H GLY 39 H GLY 39 -15.762 -1.946 8.726
549 HA2 GLY 39 HA2 GLY 39 -16.525 0.721 7.225
550 HA2 GLY 39 HA2 GLY 39 -16.592 0.473 9.970
551 HA3 GLY 39 HA3 GLY 39 -16.617 -0.890 6.532
552 HA3 GLY 39 HA3 GLY 39 -16.973 0.504 8.254
Start of MODEL 13
1 H1 SER 5 H SER 5 -16.723 -1.856 -3.407
2 H1 SER 5 H SER 5 -16.698 -2.654 -6.013
3 HA SER 5 HA SER 5 -17.723 -3.812 -4.921
4 HA SER 5 HA SER 5 -17.518 -4.887 -5.577
5 HB2 SER 5 HB2 SER 5 -15.199 -5.158 -4.606
6 HB2 SER 5 HB2 SER 5 -14.884 -5.811 -5.130
7 HB3 SER 5 HB3 SER 5 -16.137 -4.895 -6.076
8 HB3 SER 5 HB3 SER 5 -15.735 -5.689 -6.669
9 HG SER 5 HG SER 5 -15.139 -2.846 -6.252
10 HG SER 5 HG SER 5 -13.795 -4.048 -5.577
11 H LYS 6 H LYS 6 -15.151 -3.662 -2.462
12 H LYS 6 H LYS 6 -14.739 -4.496 -3.385
13 HA LYS 6 HA LYS 6 -16.835 -5.357 -0.735
14 HA LYS 6 HA LYS 6 -16.416 -5.479 -1.180
15 HB2 LYS 6 HB2 LYS 6 -13.845 -5.291 -1.085
16 HB2 LYS 6 HB2 LYS 6 -13.586 -6.400 -1.695
17 HB3 LYS 6 HB3 LYS 6 -14.589 -5.970 0.356
18 HB3 LYS 6 HB3 LYS 6 -14.666 -6.964 -0.425
19 HG2 LYS 6 HG2 LYS 6 -15.546 -6.927 -2.285
20 HG2 LYS 6 HG2 LYS 6 -15.982 -7.352 -2.899
21 HG3 LYS 6 HG3 LYS 6 -13.959 -7.460 -1.727
22 HG3 LYS 6 HG3 LYS 6 -14.337 -7.965 -3.060
23 HD2 LYS 6 HD2 LYS 6 -14.855 -8.857 -0.232
24 HD2 LYS 6 HD2 LYS 6 -14.612 -9.487 -1.301
25 HD3 LYS 6 HD3 LYS 6 -15.974 -7.626 0.360
26 HD3 LYS 6 HD3 LYS 6 -16.040 -8.651 -0.685
27 HE2 LYS 6 HE2 LYS 6 -17.563 -8.135 -1.319
28 HE2 LYS 6 HE2 LYS 6 -16.694 -9.355 -3.299
29 HE3 LYS 6 HE3 LYS 6 -16.405 -9.109 -2.221
30 HE3 LYS 6 HE3 LYS 6 -15.836 -10.756 -2.657
31 HZ1 LYS 6 HZ1 LYS 6 -17.857 -9.771 0.250
32 HZ1 LYS 6 HZ1 LYS 6 -17.866 -11.260 -1.871
33 HZ2 LYS 6 HZ2 LYS 6 -16.371 -10.513 -0.065
34 HZ2 LYS 6 HZ2 LYS 6 -18.417 -9.662 -1.909
35 HZ3 LYS 6 HZ3 LYS 6 -17.653 -10.696 -1.151
36 HZ3 LYS 6 HZ3 LYS 6 -17.454 -10.193 -0.624
37 H LEU 7 H LEU 7 -14.436 -2.747 -0.800
38 H LEU 7 H LEU 7 -15.970 -2.835 -1.490
39 HA LEU 7 HA LEU 7 -14.412 -2.049 1.871
40 HA LEU 7 HA LEU 7 -14.110 -2.257 0.706
41 HB2 LEU 7 HB2 LEU 7 -14.383 -0.059 -0.384
42 HB2 LEU 7 HB2 LEU 7 -13.990 -1.291 -2.031
43 HB3 LEU 7 HB3 LEU 7 -13.630 0.098 1.202
44 HB3 LEU 7 HB3 LEU 7 -14.062 0.024 -0.859
45 HG LEU 7 HG LEU 7 -12.629 -2.187 -0.301
46 HG LEU 7 HG LEU 7 -12.058 -0.792 0.230
47 HD11 LEU 7 HD11 LEU 7 -11.304 -0.806 -1.880
48 HD11 LEU 7 HD11 LEU 7 -11.767 -3.011 0.145
49 HD12 LEU 7 HD12 LEU 7 -12.314 0.577 -1.455
50 HD12 LEU 7 HD12 LEU 7 -10.915 -2.674 -1.362
51 HD13 LEU 7 HD13 LEU 7 -13.033 -0.831 -2.238
52 HD13 LEU 7 HD13 LEU 7 -12.608 -3.166 -1.398
53 HD21 LEU 7 HD21 LEU 7 -11.669 -1.174 1.774
54 HD21 LEU 7 HD21 LEU 7 -11.496 0.724 -1.429
55 HD22 LEU 7 HD22 LEU 7 -11.206 0.226 0.806
56 HD22 LEU 7 HD22 LEU 7 -11.987 -0.360 -2.732
57 HD23 LEU 7 HD23 LEU 7 -10.520 -1.359 0.447
58 HD23 LEU 7 HD23 LEU 7 -10.500 -0.673 -1.836
59 HA PRO 8 HA PRO 8 -18.358 -0.400 2.861
60 HA PRO 8 HA PRO 8 -17.481 -0.033 2.443
61 HB2 PRO 8 HB2 PRO 8 -17.683 1.513 4.665
62 HB2 PRO 8 HB2 PRO 8 -16.128 1.737 3.994
63 HB3 PRO 8 HB3 PRO 8 -17.603 -0.216 5.023
64 HB3 PRO 8 HB3 PRO 8 -16.263 0.019 4.389
65 HG2 PRO 8 HG2 PRO 8 -15.406 1.658 4.237
66 HG2 PRO 8 HG2 PRO 8 -14.003 1.490 3.089
67 HG3 PRO 8 HG3 PRO 8 -15.406 0.393 5.479
68 HG3 PRO 8 HG3 PRO 8 -13.949 0.245 4.350
69 HD2 PRO 8 HD2 PRO 8 -14.287 0.037 3.040
70 HD2 PRO 8 HD2 PRO 8 -13.453 -0.297 1.744
71 HD3 PRO 8 HD3 PRO 8 -15.042 -1.288 3.947
72 HD3 PRO 8 HD3 PRO 8 -14.205 -1.477 2.838
73 HA PRO 9 HA PRO 9 -19.340 3.304 0.698
74 HA PRO 9 HA PRO 9 -18.227 3.637 0.136
75 HB2 PRO 9 HB2 PRO 9 -21.023 4.632 2.363
76 HB2 PRO 9 HB2 PRO 9 -19.876 4.988 1.816
77 HB3 PRO 9 HB3 PRO 9 -21.485 3.154 1.511
78 HB3 PRO 9 HB3 PRO 9 -20.384 3.551 0.921
79 HG2 PRO 9 HG2 PRO 9 -20.575 3.504 4.342
80 HG2 PRO 9 HG2 PRO 9 -19.497 3.793 3.770
81 HG3 PRO 9 HG3 PRO 9 -21.893 2.501 3.705
82 HG3 PRO 9 HG3 PRO 9 -20.844 2.859 3.093
83 HD2 PRO 9 HD2 PRO 9 -19.474 1.480 4.367
84 HD2 PRO 9 HD2 PRO 9 -18.474 1.728 3.753
85 HD3 PRO 9 HD3 PRO 9 -20.463 0.817 3.050
86 HD3 PRO 9 HD3 PRO 9 -19.472 1.137 2.408
87 H GLY 10 H GLY 10 -17.213 4.231 0.720
88 H GLY 10 H GLY 10 -17.436 5.684 -0.145
89 HA2 GLY 10 HA2 GLY 10 -16.760 6.749 1.119
90 HA2 GLY 10 HA2 GLY 10 -16.584 7.774 0.545
91 HA3 GLY 10 HA3 GLY 10 -16.735 6.250 2.803
92 HA3 GLY 10 HA3 GLY 10 -16.334 7.115 2.155
93 H TRP 11 H TRP 11 -15.500 4.239 0.227
94 H TRP 11 H TRP 11 -14.994 4.712 1.104
95 HA TRP 11 HA TRP 11 -12.752 5.022 0.787
96 HA TRP 11 HA TRP 11 -12.350 5.885 0.850
97 HB2 TRP 11 HB2 TRP 11 -13.889 2.304 1.417
98 HB2 TRP 11 HB2 TRP 11 -13.296 3.038 1.215
99 HB3 TRP 11 HB3 TRP 11 -12.172 2.542 1.103
100 HB3 TRP 11 HB3 TRP 11 -11.601 3.481 1.037
101 HD1 TRP 11 HD1 TRP 11 -14.892 3.470 3.655
102 HD1 TRP 11 HD1 TRP 11 -14.466 3.548 3.535
103 HE1 TRP 11 HE1 TRP 11 -13.744 4.135 5.860
104 HE1 TRP 11 HE1 TRP 11 -13.547 4.215 5.846
105 HE3 TRP 11 HE3 TRP 11 -10.026 3.402 2.087
106 HE3 TRP 11 HE3 TRP 11 -9.723 4.876 2.170
107 HZ2 TRP 11 HZ2 TRP 11 -11.122 4.574 6.810
108 HZ2 TRP 11 HZ2 TRP 11 -11.131 5.177 6.944
109 HZ3 TRP 11 HZ3 TRP 11 -8.258 3.958 3.706
110 HZ3 TRP 11 HZ3 TRP 11 -8.169 5.658 3.910
111 HH2 TRP 11 HH2 TRP 11 -8.796 4.532 6.017
112 HH2 TRP 11 HH2 TRP 11 -8.861 5.807 6.247
113 H GLU 12 H GLU 12 -11.475 4.849 -0.964
114 H GLU 12 H GLU 12 -10.941 5.560 -0.860
115 HA GLU 12 HA GLU 12 -12.454 3.246 -3.231
116 HA GLU 12 HA GLU 12 -12.049 4.278 -3.262
117 HB2 GLU 12 HB2 GLU 12 -11.958 4.953 -4.774
118 HB2 GLU 12 HB2 GLU 12 -12.303 6.744 -3.414
119 HB3 GLU 12 HB3 GLU 12 -12.788 5.766 -3.455
120 HB3 GLU 12 HB3 GLU 12 -10.563 6.911 -3.235
121 HG2 GLU 12 HG2 GLU 12 -11.097 7.178 -3.319
122 HG2 GLU 12 HG2 GLU 12 -11.588 7.004 -5.589
123 HG3 GLU 12 HG3 GLU 12 -10.064 5.844 -2.810
124 HG3 GLU 12 HG3 GLU 12 -10.127 6.052 -5.332
125 H LYS 13 H LYS 13 -10.796 2.571 -4.745
126 H LYS 13 H LYS 13 -10.648 3.051 -4.405
127 HA LYS 13 HA LYS 13 -8.268 2.037 -3.366
128 HA LYS 13 HA LYS 13 -8.070 2.516 -3.227
129 HB2 LYS 13 HB2 LYS 13 -9.406 0.070 -4.179
130 HB2 LYS 13 HB2 LYS 13 -9.525 0.699 -4.070
131 HB3 LYS 13 HB3 LYS 13 -9.553 0.766 -5.787
132 HB3 LYS 13 HB3 LYS 13 -9.350 1.338 -5.700
133 HG2 LYS 13 HG2 LYS 13 -7.056 0.757 -5.928
134 HG2 LYS 13 HG2 LYS 13 -6.882 0.973 -5.479
135 HG3 LYS 13 HG3 LYS 13 -7.039 -0.147 -4.412
136 HG3 LYS 13 HG3 LYS 13 -7.212 0.129 -3.963
137 HD2 LYS 13 HD2 LYS 13 -8.760 -1.164 -6.608
138 HD2 LYS 13 HD2 LYS 13 -8.771 -0.723 -6.330
139 HD3 LYS 13 HD3 LYS 13 -7.013 -1.354 -6.780
140 HD3 LYS 13 HD3 LYS 13 -7.051 -1.120 -6.328
141 HE2 LYS 13 HE2 LYS 13 -7.025 -3.069 -5.369
142 HE2 LYS 13 HE2 LYS 13 -8.832 -1.719 -3.983
143 HE3 LYS 13 HE3 LYS 13 -7.788 -2.080 -4.124
144 HE3 LYS 13 HE3 LYS 13 -8.663 -2.838 -5.335
145 HZ1 LYS 13 HZ1 LYS 13 -9.117 -3.722 -6.203
146 HZ1 LYS 13 HZ1 LYS 13 -6.158 -2.574 -4.876
147 HZ2 LYS 13 HZ2 LYS 13 -9.943 -2.565 -5.284
148 HZ2 LYS 13 HZ2 LYS 13 -7.072 -3.564 -3.852
149 HZ3 LYS 13 HZ3 LYS 13 -9.220 -3.890 -4.523
150 HZ3 LYS 13 HZ3 LYS 13 -6.643 -2.004 -3.357
151 H ARG 14 H ARG 14 -6.573 3.263 -3.821
152 H ARG 14 H ARG 14 -6.182 3.337 -3.847
153 HA ARG 14 HA ARG 14 -6.376 4.446 -6.514
154 HA ARG 14 HA ARG 14 -6.012 4.607 -6.500
155 HB2 ARG 14 HB2 ARG 14 -6.165 5.638 -3.873
156 HB2 ARG 14 HB2 ARG 14 -4.659 5.559 -3.968
157 HB3 ARG 14 HB3 ARG 14 -4.725 5.937 -4.835
158 HB3 ARG 14 HB3 ARG 14 -4.559 6.316 -5.552
159 HG2 ARG 14 HG2 ARG 14 -6.561 6.550 -6.662
160 HG2 ARG 14 HG2 ARG 14 -7.242 5.944 -4.325
161 HG3 ARG 14 HG3 ARG 14 -7.492 6.908 -5.205
162 HG3 ARG 14 HG3 ARG 14 -6.190 7.217 -3.703
163 HD2 ARG 14 HD2 ARG 14 -6.262 8.724 -4.721
164 HD2 ARG 14 HD2 ARG 14 -7.060 6.864 -6.569
165 HD3 ARG 14 HD3 ARG 14 -4.749 7.933 -5.166
166 HD3 ARG 14 HD3 ARG 14 -7.664 8.076 -5.442
167 HE ARG 14 HE ARG 14 -6.416 8.652 -7.404
168 HE ARG 14 HE ARG 14 -5.004 8.541 -5.466
169 HH11 ARG 14 HH11 ARG 14 -3.905 9.686 -5.227
170 HH11 ARG 14 HH11 ARG 14 -7.391 8.214 -7.979
171 HH12 ARG 14 HH12 ARG 14 -3.280 10.887 -6.310
172 HH12 ARG 14 HH12 ARG 14 -6.577 9.286 -9.072
173 HH21 ARG 14 HH21 ARG 14 -5.605 10.227 -8.838
174 HH21 ARG 14 HH21 ARG 14 -3.924 9.953 -6.896
175 HH22 ARG 14 HH22 ARG 14 -4.249 11.194 -8.364
176 HH22 ARG 14 HH22 ARG 14 -4.605 10.273 -8.454
177 H MET 15 H MET 15 -4.208 4.754 -7.347
178 H MET 15 H MET 15 -3.704 4.876 -7.239
179 HA MET 15 HA MET 15 -2.246 2.883 -6.194
180 HA MET 15 HA MET 15 -1.934 2.769 -6.232
181 HB2 MET 15 HB2 MET 15 -3.513 2.776 -8.754
182 HB2 MET 15 HB2 MET 15 -3.046 1.695 -8.062
183 HB3 MET 15 HB3 MET 15 -1.801 3.104 -8.989
184 HB3 MET 15 HB3 MET 15 -2.827 3.101 -9.095
185 HG2 MET 15 HG2 MET 15 -1.421 1.145 -7.369
186 HG2 MET 15 HG2 MET 15 -0.878 2.344 -9.804
187 HG3 MET 15 HG3 MET 15 -3.104 0.742 -7.700
188 HG3 MET 15 HG3 MET 15 -0.285 2.190 -8.152
189 HE1 MET 15 HE1 MET 15 -0.135 -0.368 -8.006
190 HE1 MET 15 HE1 MET 15 0.465 -1.214 -10.114
191 HE2 MET 15 HE2 MET 15 -0.147 -1.385 -9.449
192 HE2 MET 15 HE2 MET 15 0.598 0.486 -10.564
193 HE3 MET 15 HE3 MET 15 0.646 0.191 -9.486
194 HE3 MET 15 HE3 MET 15 1.233 -0.069 -9.013
195 H SER 16 H SER 16 -0.039 3.411 -6.491
196 H SER 16 H SER 16 0.103 3.442 -6.021
197 HA SER 16 HA SER 16 0.402 6.282 -6.910
198 HA SER 16 HA SER 16 0.860 6.094 -6.479
199 HB2 SER 16 HB2 SER 16 1.162 4.687 -4.820
200 HB2 SER 16 HB2 SER 16 1.934 3.965 -5.113
201 HB3 SER 16 HB3 SER 16 2.619 4.692 -5.811
202 HB3 SER 16 HB3 SER 16 3.087 4.182 -6.430
203 HG SER 16 HG SER 16 1.270 7.095 -5.215
204 HG SER 16 HG SER 16 2.216 6.185 -4.617
205 H ARG 17 H ARG 17 1.694 7.034 -8.491
206 H ARG 17 H ARG 17 2.830 6.723 -7.803
207 HA ARG 17 HA ARG 17 2.776 5.078 -10.376
208 HA ARG 17 HA ARG 17 2.656 5.481 -10.471
209 HB2 ARG 17 HB2 ARG 17 2.749 6.785 -12.005
210 HB2 ARG 17 HB2 ARG 17 1.655 7.642 -10.616
211 HB3 ARG 17 HB3 ARG 17 1.262 6.997 -11.089
212 HB3 ARG 17 HB3 ARG 17 2.960 8.380 -9.697
213 HG2 ARG 17 HG2 ARG 17 2.712 8.675 -9.701
214 HG2 ARG 17 HG2 ARG 17 4.500 8.023 -11.523
215 HG3 ARG 17 HG3 ARG 17 3.709 8.692 -11.158
216 HG3 ARG 17 HG3 ARG 17 3.257 7.167 -12.436
217 HD2 ARG 17 HD2 ARG 17 0.825 9.480 -10.854
218 HD2 ARG 17 HD2 ARG 17 3.240 10.071 -11.629
219 HD3 ARG 17 HD3 ARG 17 2.178 10.464 -11.414
220 HD3 ARG 17 HD3 ARG 17 3.439 9.426 -13.257
221 HE ARG 17 HE ARG 17 1.981 8.388 -13.206
222 HE ARG 17 HE ARG 17 1.013 8.486 -12.256
223 HH11 ARG 17 HH11 ARG 17 -0.093 10.944 -12.070
224 HH11 ARG 17 HH11 ARG 17 2.489 11.506 -13.162
225 HH12 ARG 17 HH12 ARG 17 -0.966 11.074 -13.559
226 HH12 ARG 17 HH12 ARG 17 0.992 12.253 -13.613
227 HH21 ARG 17 HH21 ARG 17 0.837 8.550 -15.173
228 HH21 ARG 17 HH21 ARG 17 -0.965 9.459 -12.846
229 HH22 ARG 17 HH22 ARG 17 -0.438 9.710 -15.324
230 HH22 ARG 17 HH22 ARG 17 -0.972 11.089 -13.431
231 H ASN 18 H ASN 18 4.042 5.799 -7.771
232 H ASN 18 H ASN 18 4.698 6.713 -7.948
233 HA ASN 18 HA ASN 18 6.701 6.365 -8.850
234 HA ASN 18 HA ASN 18 7.119 6.600 -9.505
235 HB2 ASN 18 HB2 ASN 18 5.710 8.501 -7.958
236 HB2 ASN 18 HB2 ASN 18 6.681 8.151 -7.524
237 HB3 ASN 18 HB3 ASN 18 5.663 7.744 -6.368
238 HB3 ASN 18 HB3 ASN 18 6.934 6.742 -6.498
239 HD21 ASN 18 HD21 ASN 18 7.013 9.893 -6.272
240 HD21 ASN 18 HD21 ASN 18 8.482 8.373 -9.246
241 HD22 ASN 18 HD22 ASN 18 8.723 9.654 -6.343
242 HD22 ASN 18 HD22 ASN 18 10.093 8.233 -8.637
243 H SER 19 H SER 19 5.445 3.933 -7.973
244 H SER 19 H SER 19 5.759 4.724 -6.801
245 HA SER 19 HA SER 19 7.490 2.871 -6.370
246 HA SER 19 HA SER 19 7.691 2.589 -7.377
247 HB2 SER 19 HB2 SER 19 5.300 4.086 -4.911
248 HB2 SER 19 HB2 SER 19 7.005 1.686 -5.153
249 HB3 SER 19 HB3 SER 19 5.409 2.359 -4.563
250 HB3 SER 19 HB3 SER 19 7.693 3.307 -5.063
251 HG SER 19 HG SER 19 6.842 3.155 -3.184
252 HG SER 19 HG SER 19 5.852 4.029 -4.351
253 H GLY 20 H GLY 20 3.963 2.320 -6.447
254 H GLY 20 H GLY 20 4.314 2.703 -6.221
255 HA2 GLY 20 HA2 GLY 20 3.283 0.608 -8.200
256 HA2 GLY 20 HA2 GLY 20 2.638 1.779 -7.862
257 HA3 GLY 20 HA3 GLY 20 4.528 -0.391 -7.465
258 HA3 GLY 20 HA3 GLY 20 3.751 0.429 -8.023
259 H ARG 21 H ARG 21 3.860 0.605 -4.758
260 H ARG 21 H ARG 21 3.078 2.026 -4.977
261 HA ARG 21 HA ARG 21 2.153 -1.419 -3.935
262 HA ARG 21 HA ARG 21 2.121 -0.505 -3.903
263 HB2 ARG 21 HB2 ARG 21 2.594 1.229 -2.543
264 HB2 ARG 21 HB2 ARG 21 3.371 1.912 -2.827
265 HB3 ARG 21 HB3 ARG 21 2.031 -0.262 -1.797
266 HB3 ARG 21 HB3 ARG 21 2.055 1.310 -1.830
267 HG2 ARG 21 HG2 ARG 21 4.141 -1.308 -2.094
268 HG2 ARG 21 HG2 ARG 21 3.171 -0.573 -1.243
269 HG3 ARG 21 HG3 ARG 21 4.712 0.001 -3.131
270 HG3 ARG 21 HG3 ARG 21 4.040 -0.669 -2.776
271 HD2 ARG 21 HD2 ARG 21 5.545 -0.003 -0.734
272 HD2 ARG 21 HD2 ARG 21 5.504 -0.142 -0.848
273 HD3 ARG 21 HD3 ARG 21 4.854 1.507 -1.331
274 HD3 ARG 21 HD3 ARG 21 5.527 1.099 -2.101
275 HE ARG 21 HE ARG 21 2.965 -0.184 0.028
276 HE ARG 21 HE ARG 21 3.653 2.022 -0.406
277 HH11 ARG 21 HH11 ARG 21 5.376 2.301 0.394
278 HH11 ARG 21 HH11 ARG 21 6.894 0.852 0.088
279 HH12 ARG 21 HH12 ARG 21 4.730 2.890 1.889
280 HH12 ARG 21 HH12 ARG 21 7.186 1.855 1.469
281 HH21 ARG 21 HH21 ARG 21 2.104 0.583 1.996
282 HH21 ARG 21 HH21 ARG 21 4.025 3.350 1.411
283 HH22 ARG 21 HH22 ARG 21 2.870 1.911 2.801
284 HH22 ARG 21 HH22 ARG 21 5.554 3.276 2.221
285 H VAL 22 H VAL 22 0.092 -0.805 -2.536
286 H VAL 22 H VAL 22 0.036 -0.967 -3.727
287 HA VAL 22 HA VAL 22 -1.630 0.983 -4.112
288 HA VAL 22 HA VAL 22 -1.980 0.991 -4.308
289 HB VAL 22 HB VAL 22 -2.581 -1.689 -3.090
290 HB VAL 22 HB VAL 22 -2.207 -1.887 -3.417
291 HG11 VAL 22 HG11 VAL 22 -3.773 0.024 -5.251
292 HG11 VAL 22 HG11 VAL 22 -4.565 -1.717 -4.123
293 HG12 VAL 22 HG12 VAL 22 -4.524 -1.297 -4.355
294 HG12 VAL 22 HG12 VAL 22 -4.195 -0.686 -2.739
295 HG13 VAL 22 HG13 VAL 22 -4.185 0.235 -3.549
296 HG13 VAL 22 HG13 VAL 22 -4.352 0.018 -4.349
297 HG21 VAL 22 HG21 VAL 22 -2.544 -2.019 -5.762
298 HG21 VAL 22 HG21 VAL 22 -3.072 -1.045 -6.102
299 HG22 VAL 22 HG22 VAL 22 -1.108 -1.018 -5.555
300 HG22 VAL 22 HG22 VAL 22 -1.336 -0.954 -5.803
301 HG23 VAL 22 HG23 VAL 22 -1.245 -2.551 -4.696
302 HG23 VAL 22 HG23 VAL 22 -2.187 -2.484 -5.591
303 H TYR 23 H TYR 23 -1.951 2.569 -2.657
304 H TYR 23 H TYR 23 -3.461 1.915 -2.949
305 HA TYR 23 HA TYR 23 -2.580 1.870 0.113
306 HA TYR 23 HA TYR 23 -3.523 1.201 -0.139
307 HB2 TYR 23 HB2 TYR 23 -2.280 4.257 0.583
308 HB2 TYR 23 HB2 TYR 23 -3.023 3.486 0.632
309 HB3 TYR 23 HB3 TYR 23 -0.878 3.598 -0.250
310 HB3 TYR 23 HB3 TYR 23 -1.654 2.773 -0.211
311 HD1 TYR 23 HD1 TYR 23 -0.155 4.502 -2.307
312 HD1 TYR 23 HD1 TYR 23 -1.024 3.570 -2.451
313 HD2 TYR 23 HD2 TYR 23 -3.950 5.614 -0.737
314 HD2 TYR 23 HD2 TYR 23 -4.172 5.404 -0.253
315 HE1 TYR 23 HE1 TYR 23 -0.338 6.259 -4.017
316 HE1 TYR 23 HE1 TYR 23 -0.931 5.516 -3.952
317 HE2 TYR 23 HE2 TYR 23 -4.146 7.374 -2.446
318 HE2 TYR 23 HE2 TYR 23 -4.087 7.354 -1.748
319 HH TYR 23 HH TYR 23 -1.885 7.638 -5.082
320 HH TYR 23 HH TYR 23 -2.819 8.410 -3.329
321 H TYR 24 H TYR 24 -4.302 3.285 1.162
322 H TYR 24 H TYR 24 -4.998 3.018 0.994
323 HA TYR 24 HA TYR 24 -6.632 3.424 -0.635
324 HA TYR 24 HA TYR 24 -7.278 3.519 -0.802
325 HB2 TYR 24 HB2 TYR 24 -6.363 2.594 2.238
326 HB2 TYR 24 HB2 TYR 24 -7.612 2.777 2.097
327 HB3 TYR 24 HB3 TYR 24 -7.904 3.186 1.623
328 HB3 TYR 24 HB3 TYR 24 -8.822 2.772 0.820
329 HD1 TYR 24 HD1 TYR 24 -8.514 2.041 -0.777
330 HD1 TYR 24 HD1 TYR 24 -8.872 0.958 -0.839
331 HD2 TYR 24 HD2 TYR 24 -6.139 0.307 2.297
332 HD2 TYR 24 HD2 TYR 24 -6.116 0.918 2.403
333 HE1 TYR 24 HE1 TYR 24 -9.034 -0.199 -1.648
334 HE1 TYR 24 HE1 TYR 24 -8.451 -1.432 -1.234
335 HE2 TYR 24 HE2 TYR 24 -6.649 -1.938 1.433
336 HE2 TYR 24 HE2 TYR 24 -5.684 -1.471 2.014
337 HH TYR 24 HH TYR 24 -8.003 -2.480 -1.592
338 HH TYR 24 HH TYR 24 -6.217 -3.035 -0.606
339 H PHE 25 H PHE 25 -7.667 5.308 -0.843
340 H PHE 25 H PHE 25 -8.387 5.418 -0.520
341 HA PHE 25 HA PHE 25 -6.844 7.521 0.912
342 HA PHE 25 HA PHE 25 -7.545 7.199 1.649
343 HB2 PHE 25 HB2 PHE 25 -6.328 7.725 -1.538
344 HB2 PHE 25 HB2 PHE 25 -6.150 7.928 -0.139
345 HB3 PHE 25 HB3 PHE 25 -8.060 7.723 -1.848
346 HB3 PHE 25 HB3 PHE 25 -7.472 7.835 -1.299
347 HD1 PHE 25 HD1 PHE 25 -5.714 9.474 0.473
348 HD1 PHE 25 HD1 PHE 25 -5.996 9.773 1.433
349 HD2 PHE 25 HD2 PHE 25 -8.959 9.783 -2.265
350 HD2 PHE 25 HD2 PHE 25 -9.108 9.589 -1.464
351 HE1 PHE 25 HE1 PHE 25 -5.773 11.907 0.822
352 HE1 PHE 25 HE1 PHE 25 -6.493 12.151 1.821
353 HE2 PHE 25 HE2 PHE 25 -9.021 12.217 -1.922
354 HE2 PHE 25 HE2 PHE 25 -9.610 11.966 -1.081
355 HZ PHE 25 HZ PHE 25 -7.426 13.284 -0.376
356 HZ PHE 25 HZ PHE 25 -8.302 13.252 0.563
357 H ASN 26 H ASN 26 -8.361 8.840 1.862
358 H ASN 26 H ASN 26 -9.134 8.488 2.450
359 HA ASN 26 HA ASN 26 -11.155 7.918 1.666
360 HA ASN 26 HA ASN 26 -11.813 8.087 1.328
361 HB2 ASN 26 HB2 ASN 26 -9.960 7.484 3.860
362 HB2 ASN 26 HB2 ASN 26 -11.204 7.587 3.792
363 HB3 ASN 26 HB3 ASN 26 -9.902 9.230 4.081
364 HB3 ASN 26 HB3 ASN 26 -11.230 9.336 4.003
365 HD21 ASN 26 HD21 ASN 26 -11.954 6.427 3.919
366 HD21 ASN 26 HD21 ASN 26 -12.961 7.043 4.948
367 HD22 ASN 26 HD22 ASN 26 -13.347 7.158 4.630
368 HD22 ASN 26 HD22 ASN 26 -14.570 7.552 4.576
369 H HIS 27 H HIS 27 -12.326 9.339 0.563
370 H HIS 27 H HIS 27 -12.866 9.686 0.347
371 HA HIS 27 HA HIS 27 -11.614 12.168 0.608
372 HA HIS 27 HA HIS 27 -11.612 12.271 0.089
373 HB2 HIS 27 HB2 HIS 27 -13.021 12.423 -1.300
374 HB2 HIS 27 HB2 HIS 27 -13.579 12.747 -1.409
375 HB3 HIS 27 HB3 HIS 27 -12.115 10.932 -1.543
376 HB3 HIS 27 HB3 HIS 27 -12.601 11.364 -1.894
377 HD1 HIS 27 HD1 HIS 27 -14.852 11.545 -2.934
378 HD1 HIS 27 HD1 HIS 27 -15.932 12.205 -0.346
379 HD2 HIS 27 HD2 HIS 27 -14.364 9.266 0.505
380 HD2 HIS 27 HD2 HIS 27 -13.927 8.946 -1.969
381 HE1 HIS 27 HE1 HIS 27 -16.871 10.048 -2.825
382 HE1 HIS 27 HE1 HIS 27 -17.661 10.394 -0.567
383 H ILE 28 H ILE 28 -12.748 10.957 2.975
384 H ILE 28 H ILE 28 -13.956 10.858 2.116
385 HA ILE 28 HA ILE 28 -15.236 12.524 3.151
386 HA ILE 28 HA ILE 28 -15.352 13.320 2.712
387 HB ILE 28 HB ILE 28 -14.637 9.879 4.478
388 HB ILE 28 HB ILE 28 -15.492 10.602 4.020
389 HG12 ILE 28 HG12 ILE 28 -15.379 9.712 2.143
390 HG12 ILE 28 HG12 ILE 28 -17.361 12.022 2.110
391 HG13 ILE 28 HG13 ILE 28 -16.610 9.102 3.243
392 HG13 ILE 28 HG13 ILE 28 -16.342 10.640 1.725
393 HG21 ILE 28 HG21 ILE 28 -15.959 10.542 6.138
394 HG21 ILE 28 HG21 ILE 28 -16.407 13.142 4.947
395 HG22 ILE 28 HG22 ILE 28 -16.358 12.041 5.300
396 HG22 ILE 28 HG22 ILE 28 -17.799 12.132 4.560
397 HG23 ILE 28 HG23 ILE 28 -17.286 10.577 4.976
398 HG23 ILE 28 HG23 ILE 28 -16.582 11.557 5.699
399 HD11 ILE 28 HD11 ILE 28 -16.662 11.418 1.436
400 HD11 ILE 28 HD11 ILE 28 -18.752 10.732 3.506
401 HD12 ILE 28 HD12 ILE 28 -17.964 10.351 1.964
402 HD12 ILE 28 HD12 ILE 28 -18.504 9.786 2.037
403 HD13 ILE 28 HD13 ILE 28 -17.412 11.654 3.015
404 HD13 ILE 28 HD13 ILE 28 -17.619 9.380 3.507
405 H THR 29 H THR 29 -12.498 11.170 4.957
406 H THR 29 H THR 29 -13.062 11.164 4.360
407 HA THR 29 HA THR 29 -12.746 13.419 6.849
408 HA THR 29 HA THR 29 -12.770 13.092 6.533
409 HB THR 29 HB THR 29 -11.232 11.066 7.772
410 HB THR 29 HB THR 29 -11.536 11.417 7.713
411 HG1 THR 29 HG1 THR 29 -12.875 9.880 6.899
412 HG1 THR 29 HG1 THR 29 -10.868 9.506 6.714
413 HG21 THR 29 HG21 THR 29 -11.543 12.717 9.384
414 HG21 THR 29 HG21 THR 29 -13.343 9.428 6.712
415 HG22 THR 29 HG22 THR 29 -12.806 11.549 9.774
416 HG22 THR 29 HG22 THR 29 -14.155 10.991 6.766
417 HG23 THR 29 HG23 THR 29 -13.209 13.022 8.893
418 HG23 THR 29 HG23 THR 29 -13.413 10.333 8.223
419 H ASN 30 H ASN 30 -11.213 13.129 4.291
420 H ASN 30 H ASN 30 -11.198 12.098 3.647
421 HA ASN 30 HA ASN 30 -9.132 13.523 3.440
422 HA ASN 30 HA ASN 30 -9.310 12.810 2.595
423 HB2 ASN 30 HB2 ASN 30 -9.739 15.446 5.398
424 HB2 ASN 30 HB2 ASN 30 -10.245 15.049 3.497
425 HB3 ASN 30 HB3 ASN 30 -8.052 15.009 5.670
426 HB3 ASN 30 HB3 ASN 30 -8.964 14.931 4.701
427 HD21 ASN 30 HD21 ASN 30 -6.861 14.737 3.440
428 HD21 ASN 30 HD21 ASN 30 -6.761 14.423 3.714
429 HD22 ASN 30 HD22 ASN 30 -7.049 16.086 2.375
430 HD22 ASN 30 HD22 ASN 30 -6.338 15.330 2.307
431 H ALA 31 H ALA 31 -9.421 11.129 5.093
432 H ALA 31 H ALA 31 -8.652 10.676 3.716
433 HA ALA 31 HA ALA 31 -6.747 10.895 6.285
434 HA ALA 31 HA ALA 31 -6.038 11.128 4.882
435 HB1 ALA 31 HB1 ALA 31 -9.180 9.134 6.540
436 HB1 ALA 31 HB1 ALA 31 -6.336 10.042 6.903
437 HB2 ALA 31 HB2 ALA 31 -7.614 8.796 7.279
438 HB2 ALA 31 HB2 ALA 31 -7.828 10.972 6.748
439 HB3 ALA 31 HB3 ALA 31 -8.526 10.227 7.759
440 HB3 ALA 31 HB3 ALA 31 -7.820 9.248 6.374
441 H SER 32 H SER 32 -5.574 8.846 5.910
442 H SER 32 H SER 32 -4.692 9.236 4.854
443 HA SER 32 HA SER 32 -6.200 7.252 3.621
444 HA SER 32 HA SER 32 -5.661 7.178 2.982
445 HB2 SER 32 HB2 SER 32 -5.189 9.545 2.796
446 HB2 SER 32 HB2 SER 32 -3.743 8.821 2.310
447 HB3 SER 32 HB3 SER 32 -3.662 8.799 3.265
448 HB3 SER 32 HB3 SER 32 -2.746 7.798 3.346
449 HG SER 32 HG SER 32 -4.573 6.940 1.937
450 HG SER 32 HG SER 32 -2.588 6.701 1.535
451 H GLN 33 H GLN 33 -5.477 5.298 4.110
452 H GLN 33 H GLN 33 -5.100 5.025 3.348
453 HA GLN 33 HA GLN 33 -2.884 5.020 5.449
454 HA GLN 33 HA GLN 33 -3.624 4.340 5.756
455 HB2 GLN 33 HB2 GLN 33 -3.905 3.189 6.862
456 HB2 GLN 33 HB2 GLN 33 -5.928 4.623 6.556
457 HB3 GLN 33 HB3 GLN 33 -4.389 4.828 7.274
458 HB3 GLN 33 HB3 GLN 33 -6.495 3.483 5.343
459 HG2 GLN 33 HG2 GLN 33 -6.481 4.511 6.042
460 HG2 GLN 33 HG2 GLN 33 -5.279 1.690 6.391
461 HG3 GLN 33 HG3 GLN 33 -5.996 2.860 5.658
462 HG3 GLN 33 HG3 GLN 33 -4.558 2.810 7.545
463 HE21 GLN 33 HE21 GLN 33 -5.723 1.374 7.428
464 HE21 GLN 33 HE21 GLN 33 -7.163 0.770 6.877
465 HE22 GLN 33 HE22 GLN 33 -6.651 1.580 8.871
466 HE22 GLN 33 HE22 GLN 33 -8.150 1.176 8.235
467 H PHE 34 H PHE 34 -1.957 2.863 5.258
468 H PHE 34 H PHE 34 -2.472 2.527 5.495
469 HA PHE 34 HA PHE 34 -2.506 1.743 2.646
470 HA PHE 34 HA PHE 34 -2.604 1.157 2.967
471 HB2 PHE 34 HB2 PHE 34 -0.441 0.786 4.626
472 HB2 PHE 34 HB2 PHE 34 -0.838 0.751 5.387
473 HB3 PHE 34 HB3 PHE 34 -0.447 0.566 2.880
474 HB3 PHE 34 HB3 PHE 34 -0.668 -0.140 3.877
475 HD1 PHE 34 HD1 PHE 34 0.651 2.596 5.592
476 HD1 PHE 34 HD1 PHE 34 0.619 2.482 5.693
477 HD2 PHE 34 HD2 PHE 34 -0.217 2.646 1.425
478 HD2 PHE 34 HD2 PHE 34 -0.640 1.529 1.739
479 HE1 PHE 34 HE1 PHE 34 2.009 4.630 5.338
480 HE1 PHE 34 HE1 PHE 34 2.056 4.271 4.808
481 HE2 PHE 34 HE2 PHE 34 1.142 4.682 1.164
482 HE2 PHE 34 HE2 PHE 34 0.797 3.317 0.849
483 HZ PHE 34 HZ PHE 34 2.256 5.676 3.122
484 HZ PHE 34 HZ PHE 34 2.147 4.690 2.383
485 H GLU 35 H GLU 35 -2.930 0.888 6.004
486 H GLU 35 H GLU 35 -3.506 0.513 6.286
487 HA GLU 35 HA GLU 35 -3.546 -1.866 5.505
488 HA GLU 35 HA GLU 35 -3.964 -2.280 5.943
489 HB2 GLU 35 HB2 GLU 35 -2.678 -1.315 7.660
490 HB2 GLU 35 HB2 GLU 35 -5.049 -0.384 8.033
491 HB3 GLU 35 HB3 GLU 35 -3.908 -0.085 7.912
492 HB3 GLU 35 HB3 GLU 35 -5.115 -2.139 8.114
493 HG2 GLU 35 HG2 GLU 35 -5.623 -1.786 8.051
494 HG2 GLU 35 HG2 GLU 35 -2.429 -1.514 7.683
495 HG3 GLU 35 HG3 GLU 35 -4.434 -3.041 7.713
496 HG3 GLU 35 HG3 GLU 35 -3.003 -0.350 8.874
497 H ARG 36 H ARG 36 -5.443 -2.759 4.988
498 H ARG 36 H ARG 36 -5.755 -3.362 5.330
499 HA ARG 36 HA ARG 36 -7.638 -1.145 4.212
500 HA ARG 36 HA ARG 36 -7.688 -2.154 3.740
501 HB2 ARG 36 HB2 ARG 36 -7.124 -3.302 3.147
502 HB2 ARG 36 HB2 ARG 36 -7.166 -4.551 3.648
503 HB3 ARG 36 HB3 ARG 36 -7.511 -4.136 4.645
504 HB3 ARG 36 HB3 ARG 36 -7.874 -4.771 5.243
505 HG2 ARG 36 HG2 ARG 36 -9.793 -2.752 4.256
506 HG2 ARG 36 HG2 ARG 36 -10.018 -3.812 4.173
507 HG3 ARG 36 HG3 ARG 36 -9.284 -3.017 2.587
508 HG3 ARG 36 HG3 ARG 36 -9.229 -4.195 2.641
509 HD2 ARG 36 HD2 ARG 36 -10.691 -4.839 3.238
510 HD2 ARG 36 HD2 ARG 36 -9.953 -6.283 2.857
511 HD3 ARG 36 HD3 ARG 36 -9.037 -5.436 3.117
512 HD3 ARG 36 HD3 ARG 36 -8.900 -6.457 4.261
513 HE ARG 36 HE ARG 36 -9.238 -4.825 5.727
514 HE ARG 36 HE ARG 36 -11.449 -5.240 4.831
515 HH11 ARG 36 HH11 ARG 36 -11.276 -6.663 3.584
516 HH11 ARG 36 HH11 ARG 36 -9.669 -8.220 4.560
517 HH12 ARG 36 HH12 ARG 36 -11.856 -7.718 4.830
518 HH12 ARG 36 HH12 ARG 36 -10.741 -9.107 5.593
519 HH21 ARG 36 HH21 ARG 36 -9.996 -6.208 7.375
520 HH21 ARG 36 HH21 ARG 36 -12.866 -6.396 6.193
521 HH22 ARG 36 HH22 ARG 36 -11.128 -7.457 6.986
522 HH22 ARG 36 HH22 ARG 36 -12.560 -8.069 6.523
523 HA PRO 37 HA PRO 37 -9.497 -0.718 8.232
524 HA PRO 37 HA PRO 37 -10.088 -0.264 7.028
525 HB2 PRO 37 HB2 PRO 37 -11.711 0.603 7.384
526 HB2 PRO 37 HB2 PRO 37 -11.709 1.134 5.359
527 HB3 PRO 37 HB3 PRO 37 -10.132 1.379 7.541
528 HB3 PRO 37 HB3 PRO 37 -10.067 1.653 5.761
529 HG2 PRO 37 HG2 PRO 37 -11.480 0.307 5.092
530 HG2 PRO 37 HG2 PRO 37 -11.056 0.214 3.331
531 HG3 PRO 37 HG3 PRO 37 -10.579 1.820 5.301
532 HG3 PRO 37 HG3 PRO 37 -9.905 1.558 3.444
533 HD2 PRO 37 HD2 PRO 37 -9.493 -0.377 4.147
534 HD2 PRO 37 HD2 PRO 37 -9.116 -1.012 3.117
535 HD3 PRO 37 HD3 PRO 37 -8.534 0.776 5.099
536 HD3 PRO 37 HD3 PRO 37 -8.154 0.174 4.021
537 H SER 38 H SER 38 -11.668 -1.189 9.203
538 H SER 38 H SER 38 -11.551 -1.486 8.030
539 HA SER 38 HA SER 38 -12.537 -3.794 8.350
540 HA SER 38 HA SER 38 -13.479 -3.031 6.474
541 HB2 SER 38 HB2 SER 38 -14.108 -3.563 10.332
542 HB2 SER 38 HB2 SER 38 -12.159 -4.081 8.345
543 HB3 SER 38 HB3 SER 38 -12.390 -3.453 10.709
544 HB3 SER 38 HB3 SER 38 -13.054 -3.061 9.469
545 HG SER 38 HG SER 38 -13.449 -1.785 11.749
546 HG SER 38 HG SER 38 -14.034 -5.097 9.270
547 H GLY 39 H GLY 39 -14.355 -0.790 9.024
548 H GLY 39 H GLY 39 -15.744 -3.166 7.399
549 HA2 GLY 39 HA2 GLY 39 -15.913 0.204 7.541
550 HA2 GLY 39 HA2 GLY 39 -17.157 -1.628 8.987
551 HA3 GLY 39 HA3 GLY 39 -15.988 -1.308 6.648
552 HA3 GLY 39 HA3 GLY 39 -16.708 -0.428 7.785
Start of MODEL 14
1 H1 SER 5 H SER 5 -10.989 -7.012 -2.493
2 H1 SER 5 H SER 5 -12.630 -6.934 -1.402
3 HA SER 5 HA SER 5 -12.158 -5.254 -3.586
4 HA SER 5 HA SER 5 -12.389 -5.567 -3.905
5 HB2 SER 5 HB2 SER 5 -13.512 -6.473 -5.381
6 HB2 SER 5 HB2 SER 5 -13.871 -8.164 -3.748
7 HB3 SER 5 HB3 SER 5 -11.821 -6.938 -5.221
8 HB3 SER 5 HB3 SER 5 -14.489 -6.885 -4.794
9 HG SER 5 HG SER 5 -13.494 -8.669 -5.341
10 HG SER 5 HG SER 5 -11.856 -7.947 -4.875
11 H LYS 6 H LYS 6 -13.340 -4.978 -1.283
12 H LYS 6 H LYS 6 -14.585 -6.862 -1.450
13 HA LYS 6 HA LYS 6 -16.066 -4.409 -1.952
14 HA LYS 6 HA LYS 6 -16.567 -4.834 -1.855
15 HB2 LYS 6 HB2 LYS 6 -16.226 -6.803 -1.337
16 HB2 LYS 6 HB2 LYS 6 -17.183 -7.035 -0.989
17 HB3 LYS 6 HB3 LYS 6 -15.539 -6.427 0.239
18 HB3 LYS 6 HB3 LYS 6 -16.169 -6.778 0.424
19 HG2 LYS 6 HG2 LYS 6 -17.615 -4.697 0.176
20 HG2 LYS 6 HG2 LYS 6 -17.832 -4.590 0.453
21 HG3 LYS 6 HG3 LYS 6 -18.263 -6.032 -0.783
22 HG3 LYS 6 HG3 LYS 6 -18.883 -5.891 -0.114
23 HD2 LYS 6 HD2 LYS 6 -17.791 -7.588 1.019
24 HD2 LYS 6 HD2 LYS 6 -17.168 -5.993 2.368
25 HD3 LYS 6 HD3 LYS 6 -17.049 -6.299 1.969
26 HD3 LYS 6 HD3 LYS 6 -18.902 -5.664 2.341
27 HE2 LYS 6 HE2 LYS 6 -19.181 -6.435 2.870
28 HE2 LYS 6 HE2 LYS 6 -17.499 -8.199 1.514
29 HE3 LYS 6 HE3 LYS 6 -19.337 -5.119 1.705
30 HE3 LYS 6 HE3 LYS 6 -18.582 -7.974 2.887
31 HZ1 LYS 6 HZ1 LYS 6 -20.378 -7.867 1.550
32 HZ1 LYS 6 HZ1 LYS 6 -19.924 -8.956 1.303
33 HZ2 LYS 6 HZ2 LYS 6 -20.066 -7.012 0.123
34 HZ2 LYS 6 HZ2 LYS 6 -19.239 -8.100 0.016
35 HZ3 LYS 6 HZ3 LYS 6 -21.172 -6.402 1.250
36 HZ3 LYS 6 HZ3 LYS 6 -20.279 -7.316 1.094
37 H LEU 7 H LEU 7 -15.214 -2.314 -1.472
38 H LEU 7 H LEU 7 -14.994 -3.027 -1.716
39 HA LEU 7 HA LEU 7 -14.684 -1.806 1.373
40 HA LEU 7 HA LEU 7 -13.901 -2.377 0.866
41 HB2 LEU 7 HB2 LEU 7 -14.322 0.290 -0.703
42 HB2 LEU 7 HB2 LEU 7 -13.848 -1.229 -1.848
43 HB3 LEU 7 HB3 LEU 7 -13.421 0.010 0.784
44 HB3 LEU 7 HB3 LEU 7 -13.704 -0.074 -0.527
45 HG LEU 7 HG LEU 7 -13.179 -1.818 -1.589
46 HG LEU 7 HG LEU 7 -11.708 -1.153 0.270
47 HD11 LEU 7 HD11 LEU 7 -11.765 0.771 -1.039
48 HD11 LEU 7 HD11 LEU 7 -12.651 -3.334 -1.428
49 HD12 LEU 7 HD12 LEU 7 -12.549 0.233 -2.523
50 HD12 LEU 7 HD12 LEU 7 -11.625 -3.370 0.004
51 HD13 LEU 7 HD13 LEU 7 -11.034 -0.507 -2.008
52 HD13 LEU 7 HD13 LEU 7 -10.925 -3.008 -1.574
53 HD21 LEU 7 HD21 LEU 7 -12.363 -2.718 0.491
54 HD21 LEU 7 HD21 LEU 7 -11.755 -0.625 -2.691
55 HD22 LEU 7 HD22 LEU 7 -11.442 -1.247 0.809
56 HD22 LEU 7 HD22 LEU 7 -10.267 -0.944 -1.799
57 HD23 LEU 7 HD23 LEU 7 -10.992 -2.298 -0.537
58 HD23 LEU 7 HD23 LEU 7 -11.256 0.461 -1.394
59 HA PRO 8 HA PRO 8 -18.529 0.242 1.939
60 HA PRO 8 HA PRO 8 -17.301 -0.176 2.566
61 HB2 PRO 8 HB2 PRO 8 -17.842 2.095 3.802
62 HB2 PRO 8 HB2 PRO 8 -15.987 1.639 4.103
63 HB3 PRO 8 HB3 PRO 8 -17.985 0.372 4.169
64 HB3 PRO 8 HB3 PRO 8 -16.090 -0.077 4.516
65 HG2 PRO 8 HG2 PRO 8 -15.530 1.992 3.610
66 HG2 PRO 8 HG2 PRO 8 -13.856 1.426 3.207
67 HG3 PRO 8 HG3 PRO 8 -15.793 0.751 4.849
68 HG3 PRO 8 HG3 PRO 8 -13.780 0.194 4.482
69 HD2 PRO 8 HD2 PRO 8 -14.474 0.247 2.537
70 HD2 PRO 8 HD2 PRO 8 -13.265 -0.364 1.883
71 HD3 PRO 8 HD3 PRO 8 -15.455 -0.980 3.364
72 HD3 PRO 8 HD3 PRO 8 -13.996 -1.546 2.987
73 HA PRO 9 HA PRO 9 -18.875 3.988 -0.336
74 HA PRO 9 HA PRO 9 -18.125 3.478 0.258
75 HB2 PRO 9 HB2 PRO 9 -20.603 5.496 1.120
76 HB2 PRO 9 HB2 PRO 9 -19.721 4.858 1.968
77 HB3 PRO 9 HB3 PRO 9 -21.104 4.060 0.219
78 HB3 PRO 9 HB3 PRO 9 -20.255 3.405 1.114
79 HG2 PRO 9 HG2 PRO 9 -20.504 4.349 3.136
80 HG2 PRO 9 HG2 PRO 9 -19.278 3.695 3.928
81 HG3 PRO 9 HG3 PRO 9 -21.830 3.473 2.350
82 HG3 PRO 9 HG3 PRO 9 -20.645 2.750 3.310
83 HD2 PRO 9 HD2 PRO 9 -19.615 2.229 3.291
84 HD2 PRO 9 HD2 PRO 9 -18.256 1.629 3.914
85 HD3 PRO 9 HD3 PRO 9 -20.503 1.650 1.867
86 HD3 PRO 9 HD3 PRO 9 -19.297 1.017 2.613
87 H GLY 10 H GLY 10 -16.592 4.542 0.127
88 H GLY 10 H GLY 10 -17.329 5.509 -0.086
89 HA2 GLY 10 HA2 GLY 10 -16.167 7.172 0.720
90 HA2 GLY 10 HA2 GLY 10 -16.452 7.611 0.533
91 HA3 GLY 10 HA3 GLY 10 -16.007 6.364 2.273
92 HA3 GLY 10 HA3 GLY 10 -16.167 6.991 2.151
93 H TRP 11 H TRP 11 -14.960 3.931 0.805
94 H TRP 11 H TRP 11 -14.847 4.564 1.175
95 HA TRP 11 HA TRP 11 -12.199 4.908 0.573
96 HA TRP 11 HA TRP 11 -12.212 5.721 0.813
97 HB2 TRP 11 HB2 TRP 11 -13.391 2.269 1.368
98 HB2 TRP 11 HB2 TRP 11 -13.097 2.852 1.200
99 HB3 TRP 11 HB3 TRP 11 -11.729 2.354 0.794
100 HB3 TRP 11 HB3 TRP 11 -11.419 3.387 1.124
101 HD1 TRP 11 HD1 TRP 11 -13.613 2.455 3.902
102 HD1 TRP 11 HD1 TRP 11 -14.526 3.646 3.381
103 HE1 TRP 11 HE1 TRP 11 -12.222 3.474 5.814
104 HE1 TRP 11 HE1 TRP 11 -13.749 4.223 5.765
105 HE3 TRP 11 HE3 TRP 11 -9.858 4.556 1.141
106 HE3 TRP 11 HE3 TRP 11 -9.554 4.393 2.453
107 HZ2 TRP 11 HZ2 TRP 11 -9.848 4.973 6.110
108 HZ2 TRP 11 HZ2 TRP 11 -11.346 4.905 7.080
109 HZ3 TRP 11 HZ3 TRP 11 -8.066 5.766 2.317
110 HZ3 TRP 11 HZ3 TRP 11 -8.086 5.006 4.329
111 HH2 TRP 11 HH2 TRP 11 -8.063 5.968 4.749
112 HH2 TRP 11 HH2 TRP 11 -8.964 5.258 6.593
113 H GLU 12 H GLU 12 -11.249 4.952 -1.351
114 H GLU 12 H GLU 12 -10.831 5.321 -0.911
115 HA GLU 12 HA GLU 12 -12.379 3.291 -3.507
116 HA GLU 12 HA GLU 12 -11.975 3.956 -3.245
117 HB2 GLU 12 HB2 GLU 12 -11.967 5.009 -5.076
118 HB2 GLU 12 HB2 GLU 12 -12.314 6.401 -3.486
119 HB3 GLU 12 HB3 GLU 12 -12.711 5.802 -3.695
120 HB3 GLU 12 HB3 GLU 12 -10.577 6.632 -3.345
121 HG2 GLU 12 HG2 GLU 12 -11.002 7.190 -3.558
122 HG2 GLU 12 HG2 GLU 12 -11.667 6.595 -5.682
123 HG3 GLU 12 HG3 GLU 12 -9.908 5.832 -3.301
124 HG3 GLU 12 HG3 GLU 12 -10.150 5.737 -5.423
125 H LYS 13 H LYS 13 -10.868 2.629 -5.181
126 H LYS 13 H LYS 13 -10.555 2.783 -4.440
127 HA LYS 13 HA LYS 13 -8.316 1.863 -4.022
128 HA LYS 13 HA LYS 13 -7.937 2.340 -3.294
129 HB2 LYS 13 HB2 LYS 13 -9.995 0.417 -5.467
130 HB2 LYS 13 HB2 LYS 13 -9.219 0.409 -3.984
131 HB3 LYS 13 HB3 LYS 13 -9.110 1.132 -6.808
132 HB3 LYS 13 HB3 LYS 13 -9.374 1.045 -5.615
133 HG2 LYS 13 HG2 LYS 13 -7.122 0.090 -6.219
134 HG2 LYS 13 HG2 LYS 13 -6.880 0.898 -5.808
135 HG3 LYS 13 HG3 LYS 13 -7.654 -0.204 -4.562
136 HG3 LYS 13 HG3 LYS 13 -6.883 0.039 -4.266
137 HD2 LYS 13 HD2 LYS 13 -9.509 -1.631 -5.820
138 HD2 LYS 13 HD2 LYS 13 -8.681 -0.920 -6.441
139 HD3 LYS 13 HD3 LYS 13 -8.245 -1.715 -7.051
140 HD3 LYS 13 HD3 LYS 13 -6.951 -1.260 -6.561
141 HE2 LYS 13 HE2 LYS 13 -7.936 -3.607 -5.672
142 HE2 LYS 13 HE2 LYS 13 -8.256 -1.807 -3.958
143 HE3 LYS 13 HE3 LYS 13 -6.682 -2.456 -5.209
144 HE3 LYS 13 HE3 LYS 13 -8.670 -2.874 -5.300
145 HZ1 LYS 13 HZ1 LYS 13 -8.940 -3.443 -3.684
146 HZ1 LYS 13 HZ1 LYS 13 -5.968 -2.681 -5.457
147 HZ2 LYS 13 HZ2 LYS 13 -8.635 -1.788 -3.524
148 HZ2 LYS 13 HZ2 LYS 13 -6.822 -3.962 -4.756
149 HZ3 LYS 13 HZ3 LYS 13 -7.424 -2.911 -3.154
150 HZ3 LYS 13 HZ3 LYS 13 -6.238 -2.705 -3.787
151 H ARG 14 H ARG 14 -6.532 3.009 -4.318
152 H ARG 14 H ARG 14 -6.097 3.217 -3.977
153 HA ARG 14 HA ARG 14 -6.227 4.531 -6.818
154 HA ARG 14 HA ARG 14 -6.014 4.373 -6.686
155 HB2 ARG 14 HB2 ARG 14 -6.241 5.509 -4.075
156 HB2 ARG 14 HB2 ARG 14 -4.666 5.537 -4.244
157 HB3 ARG 14 HB3 ARG 14 -4.759 5.933 -4.922
158 HB3 ARG 14 HB3 ARG 14 -4.705 6.229 -5.862
159 HG2 ARG 14 HG2 ARG 14 -6.491 6.641 -6.804
160 HG2 ARG 14 HG2 ARG 14 -7.259 5.716 -4.408
161 HG3 ARG 14 HG3 ARG 14 -7.542 6.823 -5.398
162 HG3 ARG 14 HG3 ARG 14 -6.290 7.139 -4.021
163 HD2 ARG 14 HD2 ARG 14 -6.469 8.659 -4.698
164 HD2 ARG 14 HD2 ARG 14 -7.274 6.406 -6.776
165 HD3 ARG 14 HD3 ARG 14 -4.882 7.956 -5.009
166 HD3 ARG 14 HD3 ARG 14 -8.039 7.585 -5.710
167 HE ARG 14 HE ARG 14 -5.751 8.525 -7.488
168 HE ARG 14 HE ARG 14 -5.628 7.938 -7.257
169 HH11 ARG 14 HH11 ARG 14 -5.626 10.405 -4.559
170 HH11 ARG 14 HH11 ARG 14 -7.524 9.054 -4.556
171 HH12 ARG 14 HH12 ARG 14 -5.422 11.915 -5.383
172 HH12 ARG 14 HH12 ARG 14 -6.827 10.641 -4.556
173 HH21 ARG 14 HH21 ARG 14 -5.486 10.508 -8.583
174 HH21 ARG 14 HH21 ARG 14 -4.704 10.023 -7.265
175 HH22 ARG 14 HH22 ARG 14 -5.344 11.973 -7.672
176 HH22 ARG 14 HH22 ARG 14 -5.223 11.191 -6.096
177 H MET 15 H MET 15 -4.058 4.847 -7.532
178 H MET 15 H MET 15 -3.729 4.724 -7.454
179 HA MET 15 HA MET 15 -2.123 2.981 -6.325
180 HA MET 15 HA MET 15 -1.839 2.783 -6.339
181 HB2 MET 15 HB2 MET 15 -3.238 2.538 -8.714
182 HB2 MET 15 HB2 MET 15 -2.881 1.536 -8.091
183 HB3 MET 15 HB3 MET 15 -1.936 3.602 -9.227
184 HB3 MET 15 HB3 MET 15 -2.777 2.893 -9.205
185 HG2 MET 15 HG2 MET 15 -0.488 1.972 -7.747
186 HG2 MET 15 HG2 MET 15 -0.773 2.261 -9.894
187 HG3 MET 15 HG3 MET 15 -1.819 0.866 -8.088
188 HG3 MET 15 HG3 MET 15 -0.166 2.190 -8.240
189 HE1 MET 15 HE1 MET 15 0.265 -0.716 -10.763
190 HE1 MET 15 HE1 MET 15 1.312 0.627 -9.678
191 HE2 MET 15 HE2 MET 15 0.879 -0.269 -9.171
192 HE2 MET 15 HE2 MET 15 1.091 -1.119 -9.565
193 HE3 MET 15 HE3 MET 15 -0.770 -0.873 -9.345
194 HE3 MET 15 HE3 MET 15 0.442 -0.236 -10.948
195 H SER 16 H SER 16 0.066 3.586 -6.366
196 H SER 16 H SER 16 0.180 3.548 -6.228
197 HA SER 16 HA SER 16 0.474 6.457 -6.364
198 HA SER 16 HA SER 16 0.774 6.222 -6.842
199 HB2 SER 16 HB2 SER 16 1.368 4.741 -4.623
200 HB2 SER 16 HB2 SER 16 2.133 3.965 -5.640
201 HB3 SER 16 HB3 SER 16 2.630 4.435 -5.815
202 HB3 SER 16 HB3 SER 16 3.230 4.877 -6.678
203 HG SER 16 HG SER 16 3.075 6.707 -5.752
204 HG SER 16 HG SER 16 2.294 5.516 -4.248
205 H ARG 17 H ARG 17 1.978 7.564 -7.618
206 H ARG 17 H ARG 17 2.545 6.972 -8.268
207 HA ARG 17 HA ARG 17 2.663 6.224 -10.135
208 HA ARG 17 HA ARG 17 2.447 5.547 -10.842
209 HB2 ARG 17 HB2 ARG 17 2.708 9.180 -9.508
210 HB2 ARG 17 HB2 ARG 17 3.052 8.473 -10.384
211 HB3 ARG 17 HB3 ARG 17 2.864 8.436 -11.094
212 HB3 ARG 17 HB3 ARG 17 2.779 7.676 -11.927
213 HG2 ARG 17 HG2 ARG 17 0.663 8.368 -11.362
214 HG2 ARG 17 HG2 ARG 17 0.601 8.022 -11.779
215 HG3 ARG 17 HG3 ARG 17 0.431 7.598 -9.790
216 HG3 ARG 17 HG3 ARG 17 0.538 7.236 -10.200
217 HD2 ARG 17 HD2 ARG 17 0.727 10.551 -10.334
218 HD2 ARG 17 HD2 ARG 17 1.172 10.127 -10.769
219 HD3 ARG 17 HD3 ARG 17 -0.745 9.710 -9.849
220 HD3 ARG 17 HD3 ARG 17 -0.279 9.492 -9.996
221 HE ARG 17 HE ARG 17 0.938 9.134 -7.834
222 HE ARG 17 HE ARG 17 2.150 8.808 -8.626
223 HH11 ARG 17 HH11 ARG 17 0.081 12.127 -9.391
224 HH11 ARG 17 HH11 ARG 17 -0.334 11.214 -9.016
225 HH12 ARG 17 HH12 ARG 17 0.325 13.088 -7.971
226 HH12 ARG 17 HH12 ARG 17 -0.092 11.909 -7.448
227 HH21 ARG 17 HH21 ARG 17 1.264 10.388 -5.957
228 HH21 ARG 17 HH21 ARG 17 2.479 9.712 -6.557
229 HH22 ARG 17 HH22 ARG 17 1.000 12.098 -6.017
230 HH22 ARG 17 HH22 ARG 17 1.509 11.053 -6.049
231 H ASN 18 H ASN 18 4.204 5.773 -7.734
232 H ASN 18 H ASN 18 4.534 7.014 -8.453
233 HA ASN 18 HA ASN 18 6.791 6.817 -8.666
234 HA ASN 18 HA ASN 18 6.921 6.702 -10.048
235 HB2 ASN 18 HB2 ASN 18 5.531 7.262 -6.112
236 HB2 ASN 18 HB2 ASN 18 6.645 7.362 -7.106
237 HB3 ASN 18 HB3 ASN 18 7.032 6.366 -5.894
238 HB3 ASN 18 HB3 ASN 18 8.101 7.537 -8.082
239 HD21 ASN 18 HD21 ASN 18 8.782 7.299 -7.543
240 HD21 ASN 18 HD21 ASN 18 7.449 9.711 -6.837
241 HD22 ASN 18 HD22 ASN 18 9.008 9.006 -7.399
242 HD22 ASN 18 HD22 ASN 18 6.678 10.868 -7.863
243 H SER 19 H SER 19 5.787 4.599 -6.070
244 H SER 19 H SER 19 5.605 5.209 -7.096
245 HA SER 19 HA SER 19 7.494 2.540 -7.303
246 HA SER 19 HA SER 19 7.608 3.093 -7.265
247 HB2 SER 19 HB2 SER 19 7.880 1.644 -5.088
248 HB2 SER 19 HB2 SER 19 6.662 2.372 -5.072
249 HB3 SER 19 HB3 SER 19 8.234 3.372 -5.065
250 HB3 SER 19 HB3 SER 19 7.244 4.037 -5.061
251 HG SER 19 HG SER 19 5.993 2.012 -4.014
252 HG SER 19 HG SER 19 5.133 4.751 -5.203
253 H GLY 20 H GLY 20 4.761 2.992 -8.050
254 H GLY 20 H GLY 20 4.090 3.145 -6.643
255 HA2 GLY 20 HA2 GLY 20 2.879 1.757 -8.501
256 HA2 GLY 20 HA2 GLY 20 2.639 1.981 -8.273
257 HA3 GLY 20 HA3 GLY 20 3.792 0.349 -7.974
258 HA3 GLY 20 HA3 GLY 20 3.881 0.739 -8.349
259 H ARG 21 H ARG 21 3.126 -0.658 -6.195
260 H ARG 21 H ARG 21 3.191 2.138 -5.275
261 HA ARG 21 HA ARG 21 1.891 -1.169 -4.351
262 HA ARG 21 HA ARG 21 2.214 -0.419 -4.324
263 HB2 ARG 21 HB2 ARG 21 2.268 1.762 -3.705
264 HB2 ARG 21 HB2 ARG 21 3.411 1.978 -3.142
265 HB3 ARG 21 HB3 ARG 21 1.837 0.493 -2.567
266 HB3 ARG 21 HB3 ARG 21 2.103 1.305 -2.179
267 HG2 ARG 21 HG2 ARG 21 4.323 0.066 -4.090
268 HG2 ARG 21 HG2 ARG 21 3.268 -0.556 -1.643
269 HG3 ARG 21 HG3 ARG 21 4.336 1.390 -2.923
270 HG3 ARG 21 HG3 ARG 21 4.113 -0.605 -3.193
271 HD2 ARG 21 HD2 ARG 21 3.532 -1.452 -2.315
272 HD2 ARG 21 HD2 ARG 21 5.578 -0.103 -1.236
273 HD3 ARG 21 HD3 ARG 21 5.110 -0.750 -1.963
274 HD3 ARG 21 HD3 ARG 21 5.616 1.118 -2.508
275 HE ARG 21 HE ARG 21 2.669 -0.354 -0.496
276 HE ARG 21 HE ARG 21 4.815 2.626 -0.998
277 HH11 ARG 21 HH11 ARG 21 5.798 0.965 -1.265
278 HH11 ARG 21 HH11 ARG 21 4.073 -0.580 0.138
279 HH12 ARG 21 HH12 ARG 21 5.893 1.924 0.175
280 HH12 ARG 21 HH12 ARG 21 3.426 -0.035 1.650
281 HH21 ARG 21 HH21 ARG 21 2.781 0.904 1.402
282 HH21 ARG 21 HH21 ARG 21 3.966 3.356 0.989
283 HH22 ARG 21 HH22 ARG 21 4.178 1.887 1.692
284 HH22 ARG 21 HH22 ARG 21 3.365 2.203 2.133
285 H VAL 22 H VAL 22 -0.074 -0.194 -2.938
286 H VAL 22 H VAL 22 0.145 -0.922 -4.045
287 HA VAL 22 HA VAL 22 -1.989 1.257 -4.552
288 HA VAL 22 HA VAL 22 -1.911 1.002 -4.628
289 HB VAL 22 HB VAL 22 -3.712 -0.624 -4.191
290 HB VAL 22 HB VAL 22 -2.108 -1.879 -3.745
291 HG11 VAL 22 HG11 VAL 22 -2.784 0.131 -6.373
292 HG11 VAL 22 HG11 VAL 22 -4.446 -1.752 -4.474
293 HG12 VAL 22 HG12 VAL 22 -1.534 -1.104 -6.217
294 HG12 VAL 22 HG12 VAL 22 -4.119 -0.649 -3.134
295 HG13 VAL 22 HG13 VAL 22 -3.229 -1.574 -6.337
296 HG13 VAL 22 HG13 VAL 22 -4.252 -0.025 -4.778
297 HG21 VAL 22 HG21 VAL 22 -1.254 -2.356 -4.221
298 HG21 VAL 22 HG21 VAL 22 -1.854 -2.466 -5.882
299 HG22 VAL 22 HG22 VAL 22 -2.100 -1.930 -2.733
300 HG22 VAL 22 HG22 VAL 22 -2.983 -1.227 -6.433
301 HG23 VAL 22 HG23 VAL 22 -2.933 -2.844 -3.990
302 HG23 VAL 22 HG23 VAL 22 -1.287 -0.822 -6.169
303 H TYR 23 H TYR 23 -1.845 2.695 -2.767
304 H TYR 23 H TYR 23 -3.360 1.927 -3.251
305 HA TYR 23 HA TYR 23 -2.654 1.783 -0.145
306 HA TYR 23 HA TYR 23 -3.406 1.168 -0.447
307 HB2 TYR 23 HB2 TYR 23 -2.406 4.182 0.479
308 HB2 TYR 23 HB2 TYR 23 -2.950 3.456 0.341
309 HB3 TYR 23 HB3 TYR 23 -0.960 3.501 -0.257
310 HB3 TYR 23 HB3 TYR 23 -1.572 2.781 -0.523
311 HD1 TYR 23 HD1 TYR 23 0.013 4.529 -2.120
312 HD1 TYR 23 HD1 TYR 23 -0.986 3.610 -2.763
313 HD2 TYR 23 HD2 TYR 23 -3.968 5.552 -1.022
314 HD2 TYR 23 HD2 TYR 23 -4.145 5.356 -0.512
315 HE1 TYR 23 HE1 TYR 23 0.029 6.344 -3.778
316 HE1 TYR 23 HE1 TYR 23 -0.950 5.573 -4.247
317 HE2 TYR 23 HE2 TYR 23 -3.964 7.370 -2.679
318 HE2 TYR 23 HE2 TYR 23 -4.119 7.323 -1.989
319 HH TYR 23 HH TYR 23 -2.826 8.401 -4.278
320 HH TYR 23 HH TYR 23 -1.606 7.916 -4.213
321 H TYR 24 H TYR 24 -4.361 3.126 1.025
322 H TYR 24 H TYR 24 -4.907 2.958 0.708
323 HA TYR 24 HA TYR 24 -6.738 3.245 -0.695
324 HA TYR 24 HA TYR 24 -7.206 3.436 -1.068
325 HB2 TYR 24 HB2 TYR 24 -6.507 2.975 2.310
326 HB2 TYR 24 HB2 TYR 24 -7.511 2.607 1.814
327 HB3 TYR 24 HB3 TYR 24 -8.021 3.032 1.416
328 HB3 TYR 24 HB3 TYR 24 -8.734 2.625 0.547
329 HD1 TYR 24 HD1 TYR 24 -8.659 1.155 -0.061
330 HD1 TYR 24 HD1 TYR 24 -8.545 0.941 -1.335
331 HD2 TYR 24 HD2 TYR 24 -5.189 0.978 2.394
332 HD2 TYR 24 HD2 TYR 24 -6.215 0.684 2.215
333 HE1 TYR 24 HE1 TYR 24 -8.576 -1.283 -0.363
334 HE1 TYR 24 HE1 TYR 24 -8.094 -1.428 -1.811
335 HE2 TYR 24 HE2 TYR 24 -5.098 -1.462 2.099
336 HE2 TYR 24 HE2 TYR 24 -5.756 -1.686 1.750
337 HH TYR 24 HH TYR 24 -7.676 -3.229 0.604
338 HH TYR 24 HH TYR 24 -7.225 -3.332 -1.022
339 H PHE 25 H PHE 25 -8.154 4.994 -0.621
340 H PHE 25 H PHE 25 -8.180 5.377 -0.884
341 HA PHE 25 HA PHE 25 -7.195 7.387 0.793
342 HA PHE 25 HA PHE 25 -7.400 7.107 1.363
343 HB2 PHE 25 HB2 PHE 25 -6.664 7.309 -1.729
344 HB2 PHE 25 HB2 PHE 25 -6.078 7.896 -0.452
345 HB3 PHE 25 HB3 PHE 25 -8.394 7.537 -1.964
346 HB3 PHE 25 HB3 PHE 25 -7.428 7.779 -1.579
347 HD1 PHE 25 HD1 PHE 25 -5.801 9.021 0.281
348 HD1 PHE 25 HD1 PHE 25 -5.942 9.725 1.147
349 HD2 PHE 25 HD2 PHE 25 -8.939 9.687 -2.518
350 HD2 PHE 25 HD2 PHE 25 -9.101 9.495 -1.697
351 HE1 PHE 25 HE1 PHE 25 -5.510 11.450 0.536
352 HE1 PHE 25 HE1 PHE 25 -6.494 12.085 1.572
353 HE2 PHE 25 HE2 PHE 25 -8.650 12.118 -2.268
354 HE2 PHE 25 HE2 PHE 25 -9.656 11.853 -1.276
355 HZ PHE 25 HZ PHE 25 -6.933 13.002 -0.741
356 HZ PHE 25 HZ PHE 25 -8.351 13.153 0.359
357 H ASN 26 H ASN 26 -8.711 8.386 1.952
358 H ASN 26 H ASN 26 -8.959 8.496 2.137
359 HA ASN 26 HA ASN 26 -11.513 7.601 1.523
360 HA ASN 26 HA ASN 26 -11.677 7.992 1.142
361 HB2 ASN 26 HB2 ASN 26 -10.782 6.998 3.721
362 HB2 ASN 26 HB2 ASN 26 -10.992 7.512 3.581
363 HB3 ASN 26 HB3 ASN 26 -10.070 8.587 3.987
364 HB3 ASN 26 HB3 ASN 26 -11.008 9.261 3.790
365 HD21 ASN 26 HD21 ASN 26 -12.712 6.664 4.540
366 HD21 ASN 26 HD21 ASN 26 -12.698 7.051 4.877
367 HD22 ASN 26 HD22 ASN 26 -13.848 7.883 4.999
368 HD22 ASN 26 HD22 ASN 26 -14.323 7.531 4.533
369 H HIS 27 H HIS 27 -12.407 9.068 0.194
370 H HIS 27 H HIS 27 -12.782 9.563 0.175
371 HA HIS 27 HA HIS 27 -11.740 11.878 0.383
372 HA HIS 27 HA HIS 27 -11.586 12.171 -0.134
373 HB2 HIS 27 HB2 HIS 27 -13.241 12.158 -1.522
374 HB2 HIS 27 HB2 HIS 27 -13.637 12.591 -1.562
375 HB3 HIS 27 HB3 HIS 27 -12.130 10.822 -1.813
376 HB3 HIS 27 HB3 HIS 27 -12.596 11.271 -2.091
377 HD1 HIS 27 HD1 HIS 27 -14.549 10.767 -3.501
378 HD1 HIS 27 HD1 HIS 27 -15.950 11.941 -0.546
379 HD2 HIS 27 HD2 HIS 27 -14.518 9.114 0.310
380 HD2 HIS 27 HD2 HIS 27 -13.763 8.751 -2.059
381 HE1 HIS 27 HE1 HIS 27 -16.427 9.096 -3.478
382 HE1 HIS 27 HE1 HIS 27 -17.578 10.033 -0.717
383 H ILE 28 H ILE 28 -12.705 11.220 2.784
384 H ILE 28 H ILE 28 -13.891 10.721 1.928
385 HA ILE 28 HA ILE 28 -15.287 12.603 2.838
386 HA ILE 28 HA ILE 28 -15.260 13.193 2.573
387 HB ILE 28 HB ILE 28 -14.687 10.076 4.378
388 HB ILE 28 HB ILE 28 -15.451 10.453 3.827
389 HG12 ILE 28 HG12 ILE 28 -15.318 9.742 2.001
390 HG12 ILE 28 HG12 ILE 28 -17.270 11.928 1.912
391 HG13 ILE 28 HG13 ILE 28 -16.522 9.105 3.116
392 HG13 ILE 28 HG13 ILE 28 -16.285 10.520 1.532
393 HG21 ILE 28 HG21 ILE 28 -16.426 12.261 4.983
394 HG21 ILE 28 HG21 ILE 28 -17.471 11.310 4.931
395 HG22 ILE 28 HG22 ILE 28 -17.390 10.827 4.630
396 HG22 ILE 28 HG22 ILE 28 -16.018 12.165 5.445
397 HG23 ILE 28 HG23 ILE 28 -16.156 10.771 5.889
398 HG23 ILE 28 HG23 ILE 28 -17.122 12.917 4.294
399 HD11 ILE 28 HD11 ILE 28 -16.800 11.077 1.048
400 HD11 ILE 28 HD11 ILE 28 -17.605 9.232 3.196
401 HD12 ILE 28 HD12 ILE 28 -18.041 10.243 1.984
402 HD12 ILE 28 HD12 ILE 28 -18.655 10.640 3.376
403 HD13 ILE 28 HD13 ILE 28 -17.314 11.726 2.606
404 HD13 ILE 28 HD13 ILE 28 -18.542 9.817 1.820
405 H THR 29 H THR 29 -12.495 11.434 4.669
406 H THR 29 H THR 29 -12.958 10.987 4.119
407 HA THR 29 HA THR 29 -12.720 13.822 6.378
408 HA THR 29 HA THR 29 -12.666 12.811 6.379
409 HB THR 29 HB THR 29 -12.256 12.665 8.328
410 HB THR 29 HB THR 29 -10.808 10.683 6.581
411 HG1 THR 29 HG1 THR 29 -11.527 10.324 8.067
412 HG1 THR 29 HG1 THR 29 -12.445 8.938 6.474
413 HG21 THR 29 HG21 THR 29 -13.762 10.629 6.682
414 HG21 THR 29 HG21 THR 29 -11.615 11.228 8.619
415 HG22 THR 29 HG22 THR 29 -14.476 12.029 7.482
416 HG22 THR 29 HG22 THR 29 -12.826 9.996 8.262
417 HG23 THR 29 HG23 THR 29 -13.748 10.739 8.441
418 HG23 THR 29 HG23 THR 29 -13.189 11.699 7.979
419 H ASN 30 H ASN 30 -11.152 13.328 3.943
420 H ASN 30 H ASN 30 -11.114 11.992 3.425
421 HA ASN 30 HA ASN 30 -9.018 13.473 3.134
422 HA ASN 30 HA ASN 30 -9.255 12.787 2.388
423 HB2 ASN 30 HB2 ASN 30 -9.111 15.321 5.491
424 HB2 ASN 30 HB2 ASN 30 -10.220 14.960 3.441
425 HB3 ASN 30 HB3 ASN 30 -7.603 15.118 4.604
426 HB3 ASN 30 HB3 ASN 30 -8.889 14.806 4.583
427 HD21 ASN 30 HD21 ASN 30 -7.660 15.535 2.290
428 HD21 ASN 30 HD21 ASN 30 -6.724 14.352 3.451
429 HD22 ASN 30 HD22 ASN 30 -8.735 16.747 1.687
430 HD22 ASN 30 HD22 ASN 30 -6.377 15.355 2.089
431 H ALA 31 H ALA 31 -9.259 11.089 4.355
432 H ALA 31 H ALA 31 -8.606 10.595 3.482
433 HA ALA 31 HA ALA 31 -6.802 10.812 5.960
434 HA ALA 31 HA ALA 31 -5.943 11.009 4.541
435 HB1 ALA 31 HB1 ALA 31 -8.744 8.586 5.902
436 HB1 ALA 31 HB1 ALA 31 -6.180 9.817 6.554
437 HB2 ALA 31 HB2 ALA 31 -7.783 9.222 7.237
438 HB2 ALA 31 HB2 ALA 31 -7.535 10.947 6.519
439 HB3 ALA 31 HB3 ALA 31 -9.253 10.055 6.734
440 HB3 ALA 31 HB3 ALA 31 -7.793 9.248 6.122
441 H SER 32 H SER 32 -5.671 8.691 5.668
442 H SER 32 H SER 32 -4.612 9.138 4.405
443 HA SER 32 HA SER 32 -6.012 7.392 3.103
444 HA SER 32 HA SER 32 -5.754 6.948 2.801
445 HB2 SER 32 HB2 SER 32 -4.387 9.580 3.103
446 HB2 SER 32 HB2 SER 32 -3.045 7.099 2.120
447 HB3 SER 32 HB3 SER 32 -3.231 8.300 3.477
448 HB3 SER 32 HB3 SER 32 -4.413 7.579 1.116
449 HG SER 32 HG SER 32 -4.199 7.182 1.609
450 HG SER 32 HG SER 32 -2.525 9.123 2.170
451 H GLN 33 H GLN 33 -6.280 5.465 4.168
452 H GLN 33 H GLN 33 -5.002 4.884 3.210
453 HA GLN 33 HA GLN 33 -4.242 4.577 6.049
454 HA GLN 33 HA GLN 33 -2.902 4.481 5.175
455 HB2 GLN 33 HB2 GLN 33 -6.673 4.224 6.508
456 HB2 GLN 33 HB2 GLN 33 -4.232 3.247 6.733
457 HB3 GLN 33 HB3 GLN 33 -6.732 3.132 5.132
458 HB3 GLN 33 HB3 GLN 33 -5.021 4.798 6.476
459 HG2 GLN 33 HG2 GLN 33 -5.336 1.559 6.187
460 HG2 GLN 33 HG2 GLN 33 -6.628 3.770 4.984
461 HG3 GLN 33 HG3 GLN 33 -4.862 2.707 7.440
462 HG3 GLN 33 HG3 GLN 33 -5.813 2.214 5.152
463 HE21 GLN 33 HE21 GLN 33 -5.490 1.252 9.052
464 HE21 GLN 33 HE21 GLN 33 -6.487 0.889 6.690
465 HE22 GLN 33 HE22 GLN 33 -7.154 0.978 9.432
466 HE22 GLN 33 HE22 GLN 33 -7.527 1.313 8.001
467 H PHE 34 H PHE 34 -3.219 2.482 5.817
468 H PHE 34 H PHE 34 -1.848 2.578 4.912
469 HA PHE 34 HA PHE 34 -2.583 1.923 3.012
470 HA PHE 34 HA PHE 34 -2.414 1.062 2.548
471 HB2 PHE 34 HB2 PHE 34 -1.062 1.938 5.494
472 HB2 PHE 34 HB2 PHE 34 -0.412 0.347 4.688
473 HB3 PHE 34 HB3 PHE 34 -0.833 0.444 4.591
474 HB3 PHE 34 HB3 PHE 34 -0.375 -0.090 2.984
475 HD1 PHE 34 HD1 PHE 34 0.678 3.385 5.171
476 HD1 PHE 34 HD1 PHE 34 1.268 1.789 5.250
477 HD2 PHE 34 HD2 PHE 34 -0.764 1.126 1.863
478 HD2 PHE 34 HD2 PHE 34 -0.671 2.254 1.490
479 HE1 PHE 34 HE1 PHE 34 2.278 4.531 3.695
480 HE1 PHE 34 HE1 PHE 34 2.658 3.763 4.782
481 HE2 PHE 34 HE2 PHE 34 0.836 2.268 0.384
482 HE2 PHE 34 HE2 PHE 34 0.715 4.230 1.016
483 HZ PHE 34 HZ PHE 34 2.361 3.973 1.299
484 HZ PHE 34 HZ PHE 34 2.383 4.987 2.662
485 H GLU 35 H GLU 35 -3.770 0.427 5.954
486 H GLU 35 H GLU 35 -2.920 0.646 5.979
487 HA GLU 35 HA GLU 35 -3.937 -2.184 4.669
488 HA GLU 35 HA GLU 35 -3.443 -2.127 5.976
489 HB2 GLU 35 HB2 GLU 35 -4.662 -2.999 6.854
490 HB2 GLU 35 HB2 GLU 35 -4.129 0.132 7.825
491 HB3 GLU 35 HB3 GLU 35 -3.175 -2.073 6.998
492 HB3 GLU 35 HB3 GLU 35 -4.826 -1.461 8.088
493 HG2 GLU 35 HG2 GLU 35 -5.045 -0.148 7.412
494 HG2 GLU 35 HG2 GLU 35 -2.711 -2.437 8.443
495 HG3 GLU 35 HG3 GLU 35 -5.835 -1.561 8.111
496 HG3 GLU 35 HG3 GLU 35 -1.870 -1.016 7.827
497 H ARG 36 H ARG 36 -5.873 -3.303 4.340
498 H ARG 36 H ARG 36 -5.237 -3.294 5.562
499 HA ARG 36 HA ARG 36 -8.043 -1.758 3.434
500 HA ARG 36 HA ARG 36 -7.237 -2.282 3.898
501 HB2 ARG 36 HB2 ARG 36 -7.502 -3.999 2.561
502 HB2 ARG 36 HB2 ARG 36 -6.649 -4.662 4.007
503 HB3 ARG 36 HB3 ARG 36 -7.976 -4.705 4.100
504 HB3 ARG 36 HB3 ARG 36 -7.309 -4.755 5.634
505 HG2 ARG 36 HG2 ARG 36 -10.211 -3.324 3.493
506 HG2 ARG 36 HG2 ARG 36 -9.501 -3.934 4.527
507 HG3 ARG 36 HG3 ARG 36 -9.628 -3.722 1.876
508 HG3 ARG 36 HG3 ARG 36 -8.741 -4.473 3.029
509 HD2 ARG 36 HD2 ARG 36 -11.133 -5.447 2.668
510 HD2 ARG 36 HD2 ARG 36 -8.677 -6.696 3.719
511 HD3 ARG 36 HD3 ARG 36 -9.496 -6.088 2.522
512 HD3 ARG 36 HD3 ARG 36 -8.855 -6.271 5.421
513 HE ARG 36 HE ARG 36 -9.608 -5.347 5.108
514 HE ARG 36 HE ARG 36 -11.126 -5.584 3.788
515 HH11 ARG 36 HH11 ARG 36 -11.719 -7.264 3.109
516 HH11 ARG 36 HH11 ARG 36 -9.604 -8.050 5.721
517 HH12 ARG 36 HH12 ARG 36 -12.273 -8.255 4.418
518 HH12 ARG 36 HH12 ARG 36 -11.084 -8.888 6.050
519 HH21 ARG 36 HH21 ARG 36 -10.329 -6.646 6.838
520 HH21 ARG 36 HH21 ARG 36 -13.080 -6.680 4.212
521 HH22 ARG 36 HH22 ARG 36 -11.482 -7.902 6.539
522 HH22 ARG 36 HH22 ARG 36 -13.061 -8.110 5.191
523 HA PRO 37 HA PRO 37 -9.872 -1.058 7.465
524 HA PRO 37 HA PRO 37 -9.597 -0.163 7.071
525 HB2 PRO 37 HB2 PRO 37 -11.832 0.588 6.559
526 HB2 PRO 37 HB2 PRO 37 -11.323 1.012 5.335
527 HB3 PRO 37 HB3 PRO 37 -10.164 1.122 6.800
528 HB3 PRO 37 HB3 PRO 37 -9.689 1.619 5.624
529 HG2 PRO 37 HG2 PRO 37 -11.544 0.303 4.272
530 HG2 PRO 37 HG2 PRO 37 -10.709 -0.084 3.383
531 HG3 PRO 37 HG3 PRO 37 -10.444 1.665 4.556
532 HG3 PRO 37 HG3 PRO 37 -9.604 1.301 3.321
533 HD2 PRO 37 HD2 PRO 37 -9.635 -0.644 3.394
534 HD2 PRO 37 HD2 PRO 37 -8.736 -1.261 3.218
535 HD3 PRO 37 HD3 PRO 37 -8.564 0.340 4.413
536 HD3 PRO 37 HD3 PRO 37 -7.785 0.039 3.964
537 H SER 38 H SER 38 -11.838 -1.607 8.492
538 H SER 38 H SER 38 -11.276 -0.907 8.209
539 HA SER 38 HA SER 38 -13.164 -3.863 7.360
540 HA SER 38 HA SER 38 -13.034 -2.894 6.955
541 HB2 SER 38 HB2 SER 38 -14.619 -3.636 9.453
542 HB2 SER 38 HB2 SER 38 -11.822 -3.570 9.008
543 HB3 SER 38 HB3 SER 38 -12.893 -3.895 9.716
544 HB3 SER 38 HB3 SER 38 -12.626 -2.273 9.894
545 HG SER 38 HG SER 38 -13.533 -2.228 11.036
546 HG SER 38 HG SER 38 -14.483 -3.352 9.828
547 H GLY 39 H GLY 39 -14.407 -0.678 8.399
548 H GLY 39 H GLY 39 -15.319 -2.916 7.997
549 HA2 GLY 39 HA2 GLY 39 -15.889 0.673 7.160
550 HA2 GLY 39 HA2 GLY 39 -16.320 -0.134 8.033
551 HA3 GLY 39 HA3 GLY 39 -16.246 -0.705 6.129
552 HA3 GLY 39 HA3 GLY 39 -17.170 -1.446 7.230
Start of MODEL 15
1 H1 SER 5 H SER 5 -12.271 -5.283 -4.077
2 H1 SER 5 H SER 5 -13.236 -2.937 -4.502
3 HA SER 5 HA SER 5 -13.800 -3.101 -5.269
4 HA SER 5 HA SER 5 -15.061 -3.685 -5.743
5 HB2 SER 5 HB2 SER 5 -13.706 -5.914 -6.305
6 HB2 SER 5 HB2 SER 5 -15.250 -6.447 -5.173
7 HB3 SER 5 HB3 SER 5 -15.196 -4.983 -6.444
8 HB3 SER 5 HB3 SER 5 -14.767 -5.693 -6.692
9 HG SER 5 HG SER 5 -14.151 -3.500 -7.702
10 HG SER 5 HG SER 5 -13.049 -6.354 -4.529
11 H LYS 6 H LYS 6 -13.474 -3.936 -2.566
12 H LYS 6 H LYS 6 -14.285 -5.020 -2.583
13 HA LYS 6 HA LYS 6 -16.266 -4.384 -1.901
14 HA LYS 6 HA LYS 6 -17.090 -4.594 -1.787
15 HB2 LYS 6 HB2 LYS 6 -14.047 -6.243 -1.062
16 HB2 LYS 6 HB2 LYS 6 -15.231 -6.580 -0.490
17 HB3 LYS 6 HB3 LYS 6 -15.558 -6.124 -0.170
18 HB3 LYS 6 HB3 LYS 6 -16.975 -6.447 -0.302
19 HG2 LYS 6 HG2 LYS 6 -16.777 -6.746 -2.227
20 HG2 LYS 6 HG2 LYS 6 -17.270 -7.144 -2.633
21 HG3 LYS 6 HG3 LYS 6 -15.228 -6.959 -3.044
22 HG3 LYS 6 HG3 LYS 6 -15.520 -7.308 -2.795
23 HD2 LYS 6 HD2 LYS 6 -14.728 -8.537 -1.008
24 HD2 LYS 6 HD2 LYS 6 -17.064 -8.784 -0.682
25 HD3 LYS 6 HD3 LYS 6 -16.488 -8.600 -0.895
26 HD3 LYS 6 HD3 LYS 6 -16.863 -9.429 -2.313
27 HE2 LYS 6 HE2 LYS 6 -15.739 -8.928 -3.623
28 HE2 LYS 6 HE2 LYS 6 -14.471 -9.425 -2.073
29 HE3 LYS 6 HE3 LYS 6 -14.775 -10.032 -2.643
30 HE3 LYS 6 HE3 LYS 6 -14.586 -8.602 -0.519
31 HZ1 LYS 6 HZ1 LYS 6 -16.788 -11.121 -3.273
32 HZ1 LYS 6 HZ1 LYS 6 -15.593 -11.332 -1.111
33 HZ2 LYS 6 HZ2 LYS 6 -17.736 -9.837 -2.714
34 HZ2 LYS 6 HZ2 LYS 6 -15.715 -10.543 0.379
35 HZ3 LYS 6 HZ3 LYS 6 -16.876 -10.794 -1.615
36 HZ3 LYS 6 HZ3 LYS 6 -14.195 -10.963 -0.232
37 H LEU 7 H LEU 7 -15.855 -2.104 -1.346
38 H LEU 7 H LEU 7 -15.157 -2.562 -1.708
39 HA LEU 7 HA LEU 7 -14.816 -1.901 1.394
40 HA LEU 7 HA LEU 7 -14.089 -2.370 0.959
41 HB2 LEU 7 HB2 LEU 7 -14.473 0.489 -0.281
42 HB2 LEU 7 HB2 LEU 7 -13.994 -0.789 -1.520
43 HB3 LEU 7 HB3 LEU 7 -13.416 -0.195 0.952
44 HB3 LEU 7 HB3 LEU 7 -13.904 0.144 -0.027
45 HG LEU 7 HG LEU 7 -13.655 -1.270 -1.856
46 HG LEU 7 HG LEU 7 -11.910 -1.013 0.644
47 HD11 LEU 7 HD11 LEU 7 -11.638 -0.126 -2.388
48 HD11 LEU 7 HD11 LEU 7 -11.748 -3.156 0.043
49 HD12 LEU 7 HD12 LEU 7 -11.450 0.443 -0.730
50 HD12 LEU 7 HD12 LEU 7 -11.068 -2.551 -1.468
51 HD13 LEU 7 HD13 LEU 7 -12.761 1.066 -1.734
52 HD13 LEU 7 HD13 LEU 7 -12.787 -2.933 -1.365
53 HD21 LEU 7 HD21 LEU 7 -11.202 -1.930 -0.737
54 HD21 LEU 7 HD21 LEU 7 -10.568 -0.614 -1.636
55 HD22 LEU 7 HD22 LEU 7 -12.576 -3.007 -0.983
56 HD22 LEU 7 HD22 LEU 7 -11.127 0.704 -0.605
57 HD23 LEU 7 HD23 LEU 7 -12.366 -2.185 0.564
58 HD23 LEU 7 HD23 LEU 7 -12.061 0.241 -2.029
59 HA PRO 8 HA PRO 8 -18.558 0.189 2.338
60 HA PRO 8 HA PRO 8 -17.456 -0.434 3.005
61 HB2 PRO 8 HB2 PRO 8 -17.738 1.902 4.277
62 HB2 PRO 8 HB2 PRO 8 -16.156 1.253 4.690
63 HB3 PRO 8 HB3 PRO 8 -17.884 0.159 4.534
64 HB3 PRO 8 HB3 PRO 8 -16.181 -0.500 4.915
65 HG2 PRO 8 HG2 PRO 8 -15.444 1.789 3.941
66 HG2 PRO 8 HG2 PRO 8 -14.050 1.224 3.713
67 HG3 PRO 8 HG3 PRO 8 -15.652 0.468 5.107
68 HG3 PRO 8 HG3 PRO 8 -13.887 -0.134 4.841
69 HD2 PRO 8 HD2 PRO 8 -14.477 0.109 2.693
70 HD2 PRO 8 HD2 PRO 8 -13.441 -0.387 2.182
71 HD3 PRO 8 HD3 PRO 8 -15.426 -1.162 3.491
72 HD3 PRO 8 HD3 PRO 8 -14.092 -1.709 3.170
73 HA PRO 9 HA PRO 9 -18.964 4.059 0.292
74 HA PRO 9 HA PRO 9 -18.514 3.460 1.256
75 HB2 PRO 9 HB2 PRO 9 -20.698 5.429 1.867
76 HB2 PRO 9 HB2 PRO 9 -19.849 4.691 3.273
77 HB3 PRO 9 HB3 PRO 9 -21.187 4.054 0.870
78 HB3 PRO 9 HB3 PRO 9 -20.519 3.325 2.373
79 HG2 PRO 9 HG2 PRO 9 -20.559 4.147 3.797
80 HG2 PRO 9 HG2 PRO 9 -19.178 3.358 5.050
81 HG3 PRO 9 HG3 PRO 9 -21.881 3.307 2.963
82 HG3 PRO 9 HG3 PRO 9 -20.632 2.479 4.535
83 HD2 PRO 9 HD2 PRO 9 -19.639 2.034 3.791
84 HD2 PRO 9 HD2 PRO 9 -18.204 1.295 4.722
85 HD3 PRO 9 HD3 PRO 9 -20.533 1.544 2.339
86 HD3 PRO 9 HD3 PRO 9 -19.414 0.807 3.520
87 H GLY 10 H GLY 10 -17.059 5.173 0.306
88 H GLY 10 H GLY 10 -17.486 5.331 0.874
89 HA2 GLY 10 HA2 GLY 10 -16.602 7.561 1.274
90 HA2 GLY 10 HA2 GLY 10 -16.383 7.331 1.341
91 HA3 GLY 10 HA3 GLY 10 -16.295 6.630 2.732
92 HA3 GLY 10 HA3 GLY 10 -16.340 6.882 3.040
93 H TRP 11 H TRP 11 -15.122 4.383 1.283
94 H TRP 11 H TRP 11 -15.166 4.969 0.315
95 HA TRP 11 HA TRP 11 -12.488 5.579 0.817
96 HA TRP 11 HA TRP 11 -12.403 5.575 1.004
97 HB2 TRP 11 HB2 TRP 11 -13.352 2.761 1.472
98 HB2 TRP 11 HB2 TRP 11 -13.634 2.832 1.265
99 HB3 TRP 11 HB3 TRP 11 -11.699 3.181 1.033
100 HB3 TRP 11 HB3 TRP 11 -11.898 3.080 1.089
101 HD1 TRP 11 HD1 TRP 11 -14.126 3.262 3.922
102 HD1 TRP 11 HD1 TRP 11 -14.742 3.470 3.597
103 HE1 TRP 11 HE1 TRP 11 -12.922 4.133 6.024
104 HE1 TRP 11 HE1 TRP 11 -13.742 3.950 5.919
105 HE3 TRP 11 HE3 TRP 11 -9.776 4.859 1.763
106 HE3 TRP 11 HE3 TRP 11 -9.856 4.149 2.255
107 HZ2 TRP 11 HZ2 TRP 11 -10.454 5.337 6.680
108 HZ2 TRP 11 HZ2 TRP 11 -11.218 4.541 7.035
109 HZ3 TRP 11 HZ3 TRP 11 -8.044 5.858 3.199
110 HZ3 TRP 11 HZ3 TRP 11 -8.212 4.671 4.011
111 HH2 TRP 11 HH2 TRP 11 -8.380 6.093 5.605
112 HH2 TRP 11 HH2 TRP 11 -8.882 4.862 6.351
113 H GLU 12 H GLU 12 -11.169 4.857 -0.949
114 H GLU 12 H GLU 12 -11.040 5.431 -0.707
115 HA GLU 12 HA GLU 12 -12.542 3.506 -3.141
116 HA GLU 12 HA GLU 12 -12.091 4.223 -3.179
117 HB2 GLU 12 HB2 GLU 12 -12.215 5.205 -4.728
118 HB2 GLU 12 HB2 GLU 12 -11.774 6.924 -2.788
119 HB3 GLU 12 HB3 GLU 12 -12.836 6.041 -3.312
120 HB3 GLU 12 HB3 GLU 12 -10.258 6.481 -3.561
121 HG2 GLU 12 HG2 GLU 12 -11.113 7.418 -3.487
122 HG2 GLU 12 HG2 GLU 12 -13.039 6.330 -4.624
123 HG3 GLU 12 HG3 GLU 12 -10.084 6.081 -2.979
124 HG3 GLU 12 HG3 GLU 12 -11.593 7.025 -5.354
125 H LYS 13 H LYS 13 -11.143 2.615 -4.712
126 H LYS 13 H LYS 13 -10.680 3.048 -4.389
127 HA LYS 13 HA LYS 13 -8.594 1.825 -3.668
128 HA LYS 13 HA LYS 13 -8.120 2.428 -3.146
129 HB2 LYS 13 HB2 LYS 13 -10.294 0.534 -5.216
130 HB2 LYS 13 HB2 LYS 13 -9.494 0.537 -3.760
131 HB3 LYS 13 HB3 LYS 13 -9.391 1.316 -6.506
132 HB3 LYS 13 HB3 LYS 13 -9.640 1.126 -5.412
133 HG2 LYS 13 HG2 LYS 13 -7.369 0.257 -5.843
134 HG2 LYS 13 HG2 LYS 13 -7.171 0.841 -5.648
135 HG3 LYS 13 HG3 LYS 13 -8.101 -0.341 -4.352
136 HG3 LYS 13 HG3 LYS 13 -7.169 0.064 -4.062
137 HD2 LYS 13 HD2 LYS 13 -9.772 -1.516 -5.975
138 HD2 LYS 13 HD2 LYS 13 -9.017 -0.909 -6.202
139 HD3 LYS 13 HD3 LYS 13 -8.491 -1.272 -7.166
140 HD3 LYS 13 HD3 LYS 13 -7.319 -1.389 -6.221
141 HE2 LYS 13 HE2 LYS 13 -7.005 -2.293 -5.222
142 HE2 LYS 13 HE2 LYS 13 -8.822 -1.648 -3.668
143 HE3 LYS 13 HE3 LYS 13 -8.548 -3.008 -4.755
144 HE3 LYS 13 HE3 LYS 13 -9.169 -2.804 -4.953
145 HZ1 LYS 13 HZ1 LYS 13 -8.739 -3.985 -6.939
146 HZ1 LYS 13 HZ1 LYS 13 -6.899 -2.640 -3.233
147 HZ2 LYS 13 HZ2 LYS 13 -7.273 -4.450 -6.233
148 HZ2 LYS 13 HZ2 LYS 13 -6.442 -2.686 -4.860
149 HZ3 LYS 13 HZ3 LYS 13 -7.293 -3.259 -7.434
150 HZ3 LYS 13 HZ3 LYS 13 -7.411 -3.917 -4.220
151 H ARG 14 H ARG 14 -6.857 3.081 -3.758
152 H ARG 14 H ARG 14 -6.267 3.262 -3.830
153 HA ARG 14 HA ARG 14 -6.459 4.760 -6.147
154 HA ARG 14 HA ARG 14 -6.074 4.194 -6.614
155 HB2 ARG 14 HB2 ARG 14 -6.242 5.358 -3.282
156 HB2 ARG 14 HB2 ARG 14 -4.911 5.608 -4.209
157 HB3 ARG 14 HB3 ARG 14 -4.853 5.880 -4.225
158 HB3 ARG 14 HB3 ARG 14 -4.782 6.125 -5.886
159 HG2 ARG 14 HG2 ARG 14 -7.090 6.670 -5.701
160 HG2 ARG 14 HG2 ARG 14 -7.540 5.763 -5.176
161 HG3 ARG 14 HG3 ARG 14 -7.468 7.050 -4.019
162 HG3 ARG 14 HG3 ARG 14 -6.741 6.832 -4.020
163 HD2 ARG 14 HD2 ARG 14 -5.897 8.661 -3.898
164 HD2 ARG 14 HD2 ARG 14 -6.824 7.138 -7.019
165 HD3 ARG 14 HD3 ARG 14 -4.745 7.751 -4.875
166 HD3 ARG 14 HD3 ARG 14 -7.655 8.141 -5.830
167 HE ARG 14 HE ARG 14 -6.634 9.715 -5.797
168 HE ARG 14 HE ARG 14 -4.950 8.256 -5.233
169 HH11 ARG 14 HH11 ARG 14 -4.676 6.974 -6.678
170 HH11 ARG 14 HH11 ARG 14 -7.057 9.136 -7.862
171 HH12 ARG 14 HH12 ARG 14 -4.610 7.395 -8.356
172 HH12 ARG 14 HH12 ARG 14 -6.067 10.458 -8.385
173 HH21 ARG 14 HH21 ARG 14 -6.557 10.280 -8.007
174 HH21 ARG 14 HH21 ARG 14 -3.638 9.996 -5.913
175 HH22 ARG 14 HH22 ARG 14 -5.681 9.275 -9.112
176 HH22 ARG 14 HH22 ARG 14 -4.124 10.947 -7.277
177 H MET 15 H MET 15 -4.351 4.947 -6.979
178 H MET 15 H MET 15 -3.761 4.500 -7.305
179 HA MET 15 HA MET 15 -2.466 2.894 -6.023
180 HA MET 15 HA MET 15 -1.926 2.674 -5.926
181 HB2 MET 15 HB2 MET 15 -3.736 2.683 -8.361
182 HB2 MET 15 HB2 MET 15 -2.841 1.304 -7.654
183 HB3 MET 15 HB3 MET 15 -2.415 3.724 -8.880
184 HB3 MET 15 HB3 MET 15 -2.680 2.587 -8.845
185 HG2 MET 15 HG2 MET 15 -1.384 1.576 -7.295
186 HG2 MET 15 HG2 MET 15 -0.550 2.083 -9.283
187 HG3 MET 15 HG3 MET 15 -2.406 0.938 -8.583
188 HG3 MET 15 HG3 MET 15 -0.160 1.828 -7.584
189 HE1 MET 15 HE1 MET 15 1.541 0.946 -8.813
190 HE1 MET 15 HE1 MET 15 1.400 0.271 -9.191
191 HE2 MET 15 HE2 MET 15 0.122 0.044 -8.286
192 HE2 MET 15 HE2 MET 15 0.978 -1.414 -9.494
193 HE3 MET 15 HE3 MET 15 0.624 -0.009 -9.977
194 HE3 MET 15 HE3 MET 15 0.452 -0.157 -10.616
195 H SER 16 H SER 16 -0.183 3.339 -6.886
196 H SER 16 H SER 16 -0.014 3.593 -5.600
197 HA SER 16 HA SER 16 0.368 6.231 -6.745
198 HA SER 16 HA SER 16 0.623 6.181 -6.429
199 HB2 SER 16 HB2 SER 16 1.088 4.313 -4.853
200 HB2 SER 16 HB2 SER 16 1.916 4.053 -4.928
201 HB3 SER 16 HB3 SER 16 2.562 4.582 -5.784
202 HB3 SER 16 HB3 SER 16 3.074 4.958 -5.902
203 HG SER 16 HG SER 16 2.526 6.096 -4.171
204 HG SER 16 HG SER 16 2.070 6.883 -4.954
205 H ARG 17 H ARG 17 2.105 7.014 -7.961
206 H ARG 17 H ARG 17 2.295 6.934 -7.850
207 HA ARG 17 HA ARG 17 3.200 5.133 -9.947
208 HA ARG 17 HA ARG 17 2.571 5.230 -10.227
209 HB2 ARG 17 HB2 ARG 17 3.224 7.153 -11.507
210 HB2 ARG 17 HB2 ARG 17 3.033 8.207 -10.078
211 HB3 ARG 17 HB3 ARG 17 1.658 6.427 -11.171
212 HB3 ARG 17 HB3 ARG 17 2.816 7.221 -11.518
213 HG2 ARG 17 HG2 ARG 17 0.961 8.204 -9.878
214 HG2 ARG 17 HG2 ARG 17 0.493 6.794 -10.866
215 HG3 ARG 17 HG3 ARG 17 2.610 8.728 -9.526
216 HG3 ARG 17 HG3 ARG 17 0.718 7.808 -9.438
217 HD2 ARG 17 HD2 ARG 17 1.311 10.184 -11.124
218 HD2 ARG 17 HD2 ARG 17 -0.393 8.957 -11.355
219 HD3 ARG 17 HD3 ARG 17 2.882 9.631 -11.695
220 HD3 ARG 17 HD3 ARG 17 1.077 9.746 -10.787
221 HE ARG 17 HE ARG 17 0.771 7.894 -12.509
222 HE ARG 17 HE ARG 17 1.670 7.966 -12.902
223 HH11 ARG 17 HH11 ARG 17 2.374 10.897 -13.236
224 HH11 ARG 17 HH11 ARG 17 0.210 11.060 -12.257
225 HH12 ARG 17 HH12 ARG 17 1.946 10.870 -14.914
226 HH12 ARG 17 HH12 ARG 17 0.572 11.705 -13.825
227 HH21 ARG 17 HH21 ARG 17 0.201 7.845 -14.717
228 HH21 ARG 17 HH21 ARG 17 2.154 8.804 -14.968
229 HH22 ARG 17 HH22 ARG 17 0.710 9.135 -15.756
230 HH22 ARG 17 HH22 ARG 17 1.679 10.419 -15.366
231 H ASN 18 H ASN 18 4.294 6.112 -7.382
232 H ASN 18 H ASN 18 4.353 7.067 -7.847
233 HA ASN 18 HA ASN 18 6.819 7.148 -8.447
234 HA ASN 18 HA ASN 18 6.887 6.749 -9.192
235 HB2 ASN 18 HB2 ASN 18 5.464 9.038 -7.488
236 HB2 ASN 18 HB2 ASN 18 6.240 8.694 -7.668
237 HB3 ASN 18 HB3 ASN 18 5.549 8.229 -5.924
238 HB3 ASN 18 HB3 ASN 18 6.473 7.582 -6.322
239 HD21 ASN 18 HD21 ASN 18 7.663 9.320 -8.555
240 HD21 ASN 18 HD21 ASN 18 7.998 9.620 -6.100
241 HD22 ASN 18 HD22 ASN 18 8.935 9.883 -7.529
242 HD22 ASN 18 HD22 ASN 18 9.624 9.328 -6.607
243 H SER 19 H SER 19 5.942 4.505 -7.587
244 H SER 19 H SER 19 5.119 5.195 -6.589
245 HA SER 19 HA SER 19 8.185 3.731 -6.092
246 HA SER 19 HA SER 19 7.354 3.336 -6.166
247 HB2 SER 19 HB2 SER 19 7.092 3.055 -3.975
248 HB2 SER 19 HB2 SER 19 6.231 2.693 -4.099
249 HB3 SER 19 HB3 SER 19 7.062 4.803 -4.205
250 HB3 SER 19 HB3 SER 19 6.404 4.446 -4.161
251 HG SER 19 HG SER 19 5.035 3.828 -3.512
252 HG SER 19 HG SER 19 4.333 4.466 -3.846
253 H GLY 20 H GLY 20 4.740 2.791 -6.236
254 H GLY 20 H GLY 20 3.802 3.279 -6.523
255 HA2 GLY 20 HA2 GLY 20 4.142 0.999 -7.828
256 HA2 GLY 20 HA2 GLY 20 2.707 1.865 -8.115
257 HA3 GLY 20 HA3 GLY 20 5.627 0.195 -7.338
258 HA3 GLY 20 HA3 GLY 20 4.088 0.778 -8.044
259 H ARG 21 H ARG 21 2.395 1.126 -6.306
260 H ARG 21 H ARG 21 2.923 1.999 -5.052
261 HA ARG 21 HA ARG 21 1.875 -1.255 -4.961
262 HA ARG 21 HA ARG 21 1.942 -0.673 -4.376
263 HB2 ARG 21 HB2 ARG 21 3.542 0.443 -3.451
264 HB2 ARG 21 HB2 ARG 21 3.223 1.518 -2.908
265 HB3 ARG 21 HB3 ARG 21 1.944 0.557 -2.726
266 HB3 ARG 21 HB3 ARG 21 1.871 0.794 -2.049
267 HG2 ARG 21 HG2 ARG 21 1.894 -1.686 -2.160
268 HG2 ARG 21 HG2 ARG 21 2.943 -1.173 -1.733
269 HG3 ARG 21 HG3 ARG 21 3.128 -2.114 -3.349
270 HG3 ARG 21 HG3 ARG 21 3.830 -1.061 -3.253
271 HD2 ARG 21 HD2 ARG 21 3.856 -2.125 -0.926
272 HD2 ARG 21 HD2 ARG 21 5.194 -0.853 -1.126
273 HD3 ARG 21 HD3 ARG 21 4.856 -1.187 -2.035
274 HD3 ARG 21 HD3 ARG 21 5.422 0.408 -2.335
275 HE ARG 21 HE ARG 21 2.868 0.444 -0.840
276 HE ARG 21 HE ARG 21 4.547 1.933 -0.865
277 HH11 ARG 21 HH11 ARG 21 5.906 -1.126 -0.189
278 HH11 ARG 21 HH11 ARG 21 3.849 -1.286 0.262
279 HH12 ARG 21 HH12 ARG 21 6.385 0.015 1.024
280 HH12 ARG 21 HH12 ARG 21 3.241 -0.758 1.795
281 HH21 ARG 21 HH21 ARG 21 3.485 1.952 0.757
282 HH21 ARG 21 HH21 ARG 21 3.749 2.641 1.151
283 HH22 ARG 21 HH22 ARG 21 5.005 1.764 1.563
284 HH22 ARG 21 HH22 ARG 21 3.185 1.476 2.301
285 H VAL 22 H VAL 22 0.129 -0.516 -2.989
286 H VAL 22 H VAL 22 -0.139 -1.105 -3.922
287 HA VAL 22 HA VAL 22 -1.656 1.492 -4.144
288 HA VAL 22 HA VAL 22 -2.121 0.897 -4.503
289 HB VAL 22 HB VAL 22 -3.590 -0.148 -3.722
290 HB VAL 22 HB VAL 22 -2.427 -1.960 -3.566
291 HG11 VAL 22 HG11 VAL 22 -1.653 -0.371 -6.007
292 HG11 VAL 22 HG11 VAL 22 -4.501 -0.029 -4.598
293 HG12 VAL 22 HG12 VAL 22 -3.184 -1.251 -5.986
294 HG12 VAL 22 HG12 VAL 22 -4.767 -1.743 -4.270
295 HG13 VAL 22 HG13 VAL 22 -3.176 0.513 -5.935
296 HG13 VAL 22 HG13 VAL 22 -4.375 -0.640 -2.950
297 HG21 VAL 22 HG21 VAL 22 -1.430 -2.204 -4.133
298 HG21 VAL 22 HG21 VAL 22 -3.334 -1.389 -6.236
299 HG22 VAL 22 HG22 VAL 22 -2.081 -1.796 -2.545
300 HG22 VAL 22 HG22 VAL 22 -1.642 -0.931 -6.044
301 HG23 VAL 22 HG23 VAL 22 -3.137 -2.474 -3.784
302 HG23 VAL 22 HG23 VAL 22 -2.154 -2.579 -5.684
303 H TYR 23 H TYR 23 -3.376 2.149 -2.686
304 H TYR 23 H TYR 23 -3.529 1.886 -3.120
305 HA TYR 23 HA TYR 23 -3.149 1.330 0.093
306 HA TYR 23 HA TYR 23 -3.536 1.186 -0.300
307 HB2 TYR 23 HB2 TYR 23 -2.946 3.750 0.817
308 HB2 TYR 23 HB2 TYR 23 -2.939 3.405 0.470
309 HB3 TYR 23 HB3 TYR 23 -1.499 3.043 0.111
310 HB3 TYR 23 HB3 TYR 23 -1.648 2.778 -0.550
311 HD1 TYR 23 HD1 TYR 23 -0.850 3.641 -2.221
312 HD1 TYR 23 HD1 TYR 23 -1.083 3.835 -2.623
313 HD2 TYR 23 HD2 TYR 23 -4.031 5.609 -0.197
314 HD2 TYR 23 HD2 TYR 23 -4.427 5.189 -0.367
315 HE1 TYR 23 HE1 TYR 23 -0.745 5.476 -3.854
316 HE1 TYR 23 HE1 TYR 23 -1.202 5.855 -4.023
317 HE2 TYR 23 HE2 TYR 23 -3.936 7.450 -1.826
318 HE2 TYR 23 HE2 TYR 23 -4.557 7.212 -1.762
319 HH TYR 23 HH TYR 23 -2.582 8.414 -3.435
320 HH TYR 23 HH TYR 23 -3.106 7.534 -4.672
321 H TYR 24 H TYR 24 -4.676 3.073 1.372
322 H TYR 24 H TYR 24 -5.013 2.905 0.880
323 HA TYR 24 HA TYR 24 -7.193 3.142 -0.162
324 HA TYR 24 HA TYR 24 -7.324 3.445 -0.867
325 HB2 TYR 24 HB2 TYR 24 -6.786 2.610 2.787
326 HB2 TYR 24 HB2 TYR 24 -7.553 2.667 2.038
327 HB3 TYR 24 HB3 TYR 24 -8.355 2.804 2.012
328 HB3 TYR 24 HB3 TYR 24 -8.826 2.724 0.824
329 HD1 TYR 24 HD1 TYR 24 -5.602 0.551 2.674
330 HD1 TYR 24 HD1 TYR 24 -6.518 0.644 2.520
331 HD2 TYR 24 HD2 TYR 24 -9.117 1.111 0.344
332 HD2 TYR 24 HD2 TYR 24 -8.573 1.083 -1.180
333 HE1 TYR 24 HE1 TYR 24 -5.633 -1.853 2.156
334 HE1 TYR 24 HE1 TYR 24 -6.167 -1.745 2.048
335 HE2 TYR 24 HE2 TYR 24 -9.160 -1.290 -0.180
336 HE2 TYR 24 HE2 TYR 24 -8.229 -1.305 -1.661
337 HH TYR 24 HH TYR 24 -7.133 -3.196 -0.242
338 HH TYR 24 HH TYR 24 -6.466 -3.099 -0.905
339 H PHE 25 H PHE 25 -8.232 5.032 -0.296
340 H PHE 25 H PHE 25 -8.341 5.377 -0.635
341 HA PHE 25 HA PHE 25 -7.497 7.181 1.567
342 HA PHE 25 HA PHE 25 -7.353 7.180 1.474
343 HB2 PHE 25 HB2 PHE 25 -6.258 7.568 -0.500
344 HB2 PHE 25 HB2 PHE 25 -6.286 7.939 -0.509
345 HB3 PHE 25 HB3 PHE 25 -7.743 7.439 -1.436
346 HB3 PHE 25 HB3 PHE 25 -7.757 7.752 -1.460
347 HD1 PHE 25 HD1 PHE 25 -5.655 9.578 0.589
348 HD1 PHE 25 HD1 PHE 25 -6.533 9.609 1.535
349 HD2 PHE 25 HD2 PHE 25 -9.482 9.194 -1.235
350 HD2 PHE 25 HD2 PHE 25 -8.956 9.640 -1.965
351 HE1 PHE 25 HE1 PHE 25 -6.013 11.999 0.837
352 HE1 PHE 25 HE1 PHE 25 -7.094 11.970 1.948
353 HE2 PHE 25 HE2 PHE 25 -9.845 11.615 -0.993
354 HE2 PHE 25 HE2 PHE 25 -9.519 12.001 -1.558
355 HZ PHE 25 HZ PHE 25 -8.109 13.020 0.045
356 HZ PHE 25 HZ PHE 25 -8.588 13.168 0.399
357 H ASN 26 H ASN 26 -9.218 8.028 2.523
358 H ASN 26 H ASN 26 -8.828 8.639 2.336
359 HA ASN 26 HA ASN 26 -11.868 7.462 1.446
360 HA ASN 26 HA ASN 26 -11.640 8.037 1.720
361 HB2 ASN 26 HB2 ASN 26 -11.247 7.063 3.876
362 HB2 ASN 26 HB2 ASN 26 -10.687 7.618 4.066
363 HB3 ASN 26 HB3 ASN 26 -11.215 8.814 4.066
364 HB3 ASN 26 HB3 ASN 26 -10.649 9.371 4.235
365 HD21 ASN 26 HD21 ASN 26 -12.974 6.528 5.057
366 HD21 ASN 26 HD21 ASN 26 -12.195 7.356 5.684
367 HD22 ASN 26 HD22 ASN 26 -14.580 7.098 4.769
368 HD22 ASN 26 HD22 ASN 26 -13.853 7.805 5.492
369 H HIS 27 H HIS 27 -13.215 8.958 0.621
370 H HIS 27 H HIS 27 -12.806 9.548 0.744
371 HA HIS 27 HA HIS 27 -12.154 11.639 0.206
372 HA HIS 27 HA HIS 27 -11.719 12.177 0.299
373 HB2 HIS 27 HB2 HIS 27 -13.950 11.893 -1.426
374 HB2 HIS 27 HB2 HIS 27 -13.855 12.522 -0.987
375 HB3 HIS 27 HB3 HIS 27 -13.065 10.398 -1.719
376 HB3 HIS 27 HB3 HIS 27 -12.877 11.163 -1.537
377 HD1 HIS 27 HD1 HIS 27 -14.362 8.231 -1.594
378 HD1 HIS 27 HD1 HIS 27 -16.108 11.972 0.173
379 HD2 HIS 27 HD2 HIS 27 -16.572 11.520 -0.344
380 HD2 HIS 27 HD2 HIS 27 -14.044 8.648 -1.224
381 HE1 HIS 27 HE1 HIS 27 -16.725 7.403 -1.355
382 HE1 HIS 27 HE1 HIS 27 -17.759 10.077 0.242
383 H ILE 28 H ILE 28 -13.077 10.864 2.849
384 H ILE 28 H ILE 28 -13.815 10.723 2.574
385 HA ILE 28 HA ILE 28 -15.319 12.754 3.147
386 HA ILE 28 HA ILE 28 -15.207 13.162 3.271
387 HB ILE 28 HB ILE 28 -14.698 10.309 4.805
388 HB ILE 28 HB ILE 28 -15.149 10.476 4.653
389 HG12 ILE 28 HG12 ILE 28 -15.900 10.043 2.584
390 HG12 ILE 28 HG12 ILE 28 -17.200 11.757 2.833
391 HG13 ILE 28 HG13 ILE 28 -16.755 9.428 3.994
392 HG13 ILE 28 HG13 ILE 28 -16.170 10.387 2.432
393 HG21 ILE 28 HG21 ILE 28 -16.205 12.737 5.428
394 HG21 ILE 28 HG21 ILE 28 -16.183 11.426 6.367
395 HG22 ILE 28 HG22 ILE 28 -17.105 11.244 5.690
396 HG22 ILE 28 HG22 ILE 28 -16.050 13.000 5.584
397 HG23 ILE 28 HG23 ILE 28 -15.558 11.493 6.499
398 HG23 ILE 28 HG23 ILE 28 -17.463 11.987 5.289
399 HD11 ILE 28 HD11 ILE 28 -17.760 11.124 2.073
400 HD11 ILE 28 HD11 ILE 28 -18.463 10.495 4.356
401 HD12 ILE 28 HD12 ILE 28 -18.469 10.792 3.654
402 HD12 ILE 28 HD12 ILE 28 -18.255 9.467 2.939
403 HD13 ILE 28 HD13 ILE 28 -17.418 12.190 3.435
404 HD13 ILE 28 HD13 ILE 28 -17.278 9.191 4.379
405 H THR 29 H THR 29 -12.316 11.525 4.531
406 H THR 29 H THR 29 -12.761 11.062 4.772
407 HA THR 29 HA THR 29 -12.048 14.058 6.005
408 HA THR 29 HA THR 29 -12.294 13.053 6.851
409 HB THR 29 HB THR 29 -10.617 12.487 7.616
410 HB THR 29 HB THR 29 -10.517 11.234 7.528
411 HG1 THR 29 HG1 THR 29 -12.758 10.743 7.080
412 HG1 THR 29 HG1 THR 29 -11.366 9.126 6.864
413 HG21 THR 29 HG21 THR 29 -12.246 13.785 8.628
414 HG21 THR 29 HG21 THR 29 -12.364 9.958 8.698
415 HG22 THR 29 HG22 THR 29 -12.854 12.154 8.919
416 HG22 THR 29 HG22 THR 29 -13.506 10.982 7.822
417 HG23 THR 29 HG23 THR 29 -13.539 13.132 7.621
418 HG23 THR 29 HG23 THR 29 -12.359 11.703 8.951
419 H ASN 30 H ASN 30 -11.001 13.021 3.394
420 H ASN 30 H ASN 30 -11.143 12.322 3.787
421 HA ASN 30 HA ASN 30 -9.035 12.832 2.231
422 HA ASN 30 HA ASN 30 -9.331 12.964 2.569
423 HB2 ASN 30 HB2 ASN 30 -9.265 15.301 3.223
424 HB2 ASN 30 HB2 ASN 30 -10.180 15.173 3.702
425 HB3 ASN 30 HB3 ASN 30 -7.779 14.832 4.043
426 HB3 ASN 30 HB3 ASN 30 -8.687 15.047 4.626
427 HD21 ASN 30 HD21 ASN 30 -6.290 13.544 2.398
428 HD21 ASN 30 HD21 ASN 30 -6.744 14.482 3.137
429 HD22 ASN 30 HD22 ASN 30 -5.997 14.398 0.926
430 HD22 ASN 30 HD22 ASN 30 -6.606 15.467 1.725
431 H ALA 31 H ALA 31 -9.186 10.841 4.142
432 H ALA 31 H ALA 31 -8.702 10.791 3.899
433 HA ALA 31 HA ALA 31 -6.613 10.757 5.511
434 HA ALA 31 HA ALA 31 -5.896 11.175 4.531
435 HB1 ALA 31 HB1 ALA 31 -8.711 10.014 6.639
436 HB1 ALA 31 HB1 ALA 31 -7.596 9.679 6.508
437 HB2 ALA 31 HB2 ALA 31 -8.783 8.666 5.503
438 HB2 ALA 31 HB2 ALA 31 -5.917 10.197 6.673
439 HB3 ALA 31 HB3 ALA 31 -7.428 8.803 6.623
440 HB3 ALA 31 HB3 ALA 31 -7.213 11.392 6.690
441 H SER 32 H SER 32 -5.138 8.997 5.240
442 H SER 32 H SER 32 -4.649 9.292 4.312
443 HA SER 32 HA SER 32 -5.426 7.351 2.855
444 HA SER 32 HA SER 32 -6.058 7.070 2.984
445 HB2 SER 32 HB2 SER 32 -4.033 9.746 2.682
446 HB2 SER 32 HB2 SER 32 -4.475 8.348 1.545
447 HB3 SER 32 HB3 SER 32 -2.764 8.547 2.939
448 HB3 SER 32 HB3 SER 32 -3.165 7.902 2.641
449 HG SER 32 HG SER 32 -3.119 8.630 0.762
450 HG SER 32 HG SER 32 -3.445 5.767 2.082
451 H GLN 33 H GLN 33 -5.318 5.467 3.963
452 H GLN 33 H GLN 33 -5.196 4.921 3.303
453 HA GLN 33 HA GLN 33 -2.813 4.935 5.413
454 HA GLN 33 HA GLN 33 -3.403 4.498 5.543
455 HB2 GLN 33 HB2 GLN 33 -4.080 3.500 6.976
456 HB2 GLN 33 HB2 GLN 33 -5.615 4.761 6.610
457 HB3 GLN 33 HB3 GLN 33 -4.568 5.189 7.067
458 HB3 GLN 33 HB3 GLN 33 -6.239 3.454 5.612
459 HG2 GLN 33 HG2 GLN 33 -6.604 4.786 6.020
460 HG2 GLN 33 HG2 GLN 33 -4.765 1.874 6.668
461 HG3 GLN 33 HG3 GLN 33 -6.064 3.244 5.356
462 HG3 GLN 33 HG3 GLN 33 -3.986 3.162 7.583
463 HE21 GLN 33 HE21 GLN 33 -8.156 2.571 6.292
464 HE21 GLN 33 HE21 GLN 33 -7.008 1.432 7.115
465 HE22 GLN 33 HE22 GLN 33 -8.182 2.064 7.943
466 HE22 GLN 33 HE22 GLN 33 -7.637 1.724 8.697
467 H PHE 34 H PHE 34 -2.149 2.698 5.436
468 H PHE 34 H PHE 34 -2.255 2.659 5.331
469 HA PHE 34 HA PHE 34 -2.731 1.402 2.916
470 HA PHE 34 HA PHE 34 -2.579 1.131 2.917
471 HB2 PHE 34 HB2 PHE 34 -0.892 0.382 5.080
472 HB2 PHE 34 HB2 PHE 34 -0.628 0.854 5.213
473 HB3 PHE 34 HB3 PHE 34 -0.846 0.019 3.358
474 HB3 PHE 34 HB3 PHE 34 -0.559 -0.087 3.726
475 HD1 PHE 34 HD1 PHE 34 0.664 1.849 5.890
476 HD1 PHE 34 HD1 PHE 34 0.946 2.501 5.323
477 HD2 PHE 34 HD2 PHE 34 -0.578 2.195 1.833
478 HD2 PHE 34 HD2 PHE 34 -0.838 1.616 1.562
479 HE1 PHE 34 HE1 PHE 34 2.278 3.676 5.556
480 HE1 PHE 34 HE1 PHE 34 2.291 4.274 4.269
481 HE2 PHE 34 HE2 PHE 34 1.035 4.021 1.493
482 HE2 PHE 34 HE2 PHE 34 0.504 3.384 0.502
483 HZ PHE 34 HZ PHE 34 2.467 4.763 3.354
484 HZ PHE 34 HZ PHE 34 2.070 4.716 1.856
485 H GLU 35 H GLU 35 -3.505 1.008 6.276
486 H GLU 35 H GLU 35 -3.186 0.666 6.337
487 HA GLU 35 HA GLU 35 -4.311 -1.717 6.152
488 HA GLU 35 HA GLU 35 -3.684 -2.145 6.144
489 HB2 GLU 35 HB2 GLU 35 -3.776 -0.168 8.209
490 HB2 GLU 35 HB2 GLU 35 -4.542 -0.210 8.303
491 HB3 GLU 35 HB3 GLU 35 -5.494 0.199 8.120
492 HB3 GLU 35 HB3 GLU 35 -4.494 -1.961 8.434
493 HG2 GLU 35 HG2 GLU 35 -5.323 -1.538 9.669
494 HG2 GLU 35 HG2 GLU 35 -1.934 -0.906 7.627
495 HG3 GLU 35 HG3 GLU 35 -5.884 -2.306 8.184
496 HG3 GLU 35 HG3 GLU 35 -2.492 -0.171 9.129
497 H ARG 36 H ARG 36 -6.117 -2.590 5.379
498 H ARG 36 H ARG 36 -5.541 -3.207 5.750
499 HA ARG 36 HA ARG 36 -7.991 -1.163 3.893
500 HA ARG 36 HA ARG 36 -7.650 -1.997 4.401
501 HB2 ARG 36 HB2 ARG 36 -7.619 -3.559 3.597
502 HB2 ARG 36 HB2 ARG 36 -7.174 -4.391 4.253
503 HB3 ARG 36 HB3 ARG 36 -8.279 -3.876 5.197
504 HB3 ARG 36 HB3 ARG 36 -7.646 -4.602 5.933
505 HG2 ARG 36 HG2 ARG 36 -10.353 -2.570 4.128
506 HG2 ARG 36 HG2 ARG 36 -9.928 -3.755 5.278
507 HG3 ARG 36 HG3 ARG 36 -9.655 -3.263 2.662
508 HG3 ARG 36 HG3 ARG 36 -9.398 -3.891 3.601
509 HD2 ARG 36 HD2 ARG 36 -10.425 -4.789 5.147
510 HD2 ARG 36 HD2 ARG 36 -9.104 -6.221 5.447
511 HD3 ARG 36 HD3 ARG 36 -11.349 -4.734 3.645
512 HD3 ARG 36 HD3 ARG 36 -10.678 -5.861 4.739
513 HE ARG 36 HE ARG 36 -8.966 -6.272 4.170
514 HE ARG 36 HE ARG 36 -8.525 -5.985 2.830
515 HH11 ARG 36 HH11 ARG 36 -11.025 -4.876 1.735
516 HH11 ARG 36 HH11 ARG 36 -10.958 -7.786 4.551
517 HH12 ARG 36 HH12 ARG 36 -10.517 -5.972 0.493
518 HH12 ARG 36 HH12 ARG 36 -11.023 -9.065 3.384
519 HH21 ARG 36 HH21 ARG 36 -8.289 -7.720 2.543
520 HH21 ARG 36 HH21 ARG 36 -8.601 -7.664 1.288
521 HH22 ARG 36 HH22 ARG 36 -8.962 -7.589 0.954
522 HH22 ARG 36 HH22 ARG 36 -9.680 -8.995 1.529
523 HA PRO 37 HA PRO 37 -10.596 0.618 6.982
524 HA PRO 37 HA PRO 37 -9.606 -0.057 7.945
525 HB2 PRO 37 HB2 PRO 37 -12.712 1.209 5.386
526 HB2 PRO 37 HB2 PRO 37 -11.411 1.342 6.477
527 HB3 PRO 37 HB3 PRO 37 -11.205 2.132 5.363
528 HB3 PRO 37 HB3 PRO 37 -9.728 1.849 6.668
529 HG2 PRO 37 HG2 PRO 37 -12.133 -0.025 3.507
530 HG2 PRO 37 HG2 PRO 37 -11.023 0.399 4.392
531 HG3 PRO 37 HG3 PRO 37 -11.332 1.512 3.126
532 HG3 PRO 37 HG3 PRO 37 -9.856 1.733 4.349
533 HD2 PRO 37 HD2 PRO 37 -10.002 -0.845 3.199
534 HD2 PRO 37 HD2 PRO 37 -9.135 -0.845 3.950
535 HD3 PRO 37 HD3 PRO 37 -9.240 0.695 3.646
536 HD3 PRO 37 HD3 PRO 37 -8.058 0.339 4.717
537 H SER 38 H SER 38 -11.966 -0.231 8.424
538 H SER 38 H SER 38 -11.815 0.012 8.791
539 HA SER 38 HA SER 38 -13.056 -2.828 8.054
540 HA SER 38 HA SER 38 -13.611 -2.007 7.639
541 HB2 SER 38 HB2 SER 38 -14.041 -2.503 10.289
542 HB2 SER 38 HB2 SER 38 -12.263 -3.010 9.501
543 HB3 SER 38 HB3 SER 38 -12.346 -2.023 10.263
544 HB3 SER 38 HB3 SER 38 -12.977 -1.823 10.593
545 HG SER 38 HG SER 38 -12.924 -0.070 10.758
546 HG SER 38 HG SER 38 -14.071 -3.884 10.545
547 H GLY 39 H GLY 39 -14.652 0.326 8.575
548 H GLY 39 H GLY 39 -15.816 -1.915 8.715
549 HA2 GLY 39 HA2 GLY 39 -16.524 1.128 7.400
550 HA2 GLY 39 HA2 GLY 39 -16.506 0.687 9.831
551 HA3 GLY 39 HA3 GLY 39 -16.773 -0.480 6.740
552 HA3 GLY 39 HA3 GLY 39 -17.191 0.314 8.258
Start of MODEL 16
1 H1 SER 5 H SER 5 -16.157 -4.192 -5.809
2 H1 SER 5 H SER 5 -16.514 -4.835 -6.363
3 HA SER 5 HA SER 5 -17.658 -2.701 -4.736
4 HA SER 5 HA SER 5 -16.707 -3.202 -4.259
5 HB2 SER 5 HB2 SER 5 -19.648 -3.822 -3.505
6 HB2 SER 5 HB2 SER 5 -18.577 -4.248 -5.755
7 HB3 SER 5 HB3 SER 5 -19.727 -3.671 -5.261
8 HB3 SER 5 HB3 SER 5 -18.751 -5.397 -4.429
9 HG SER 5 HG SER 5 -20.040 -5.849 -3.945
10 HG SER 5 HG SER 5 -18.913 -2.570 -4.203
11 H LYS 6 H LYS 6 -15.274 -3.824 -3.871
12 H LYS 6 H LYS 6 -14.766 -4.213 -3.075
13 HA LYS 6 HA LYS 6 -15.608 -4.846 -1.192
14 HA LYS 6 HA LYS 6 -15.822 -5.850 -0.868
15 HB2 LYS 6 HB2 LYS 6 -13.006 -3.841 -2.293
16 HB2 LYS 6 HB2 LYS 6 -13.561 -6.901 -0.697
17 HB3 LYS 6 HB3 LYS 6 -13.295 -5.154 -1.160
18 HB3 LYS 6 HB3 LYS 6 -14.437 -7.317 -2.164
19 HG2 LYS 6 HG2 LYS 6 -14.444 -6.332 -3.127
20 HG2 LYS 6 HG2 LYS 6 -12.817 -6.514 -3.446
21 HG3 LYS 6 HG3 LYS 6 -13.636 -5.130 -4.134
22 HG3 LYS 6 HG3 LYS 6 -12.806 -4.979 -2.576
23 HD2 LYS 6 HD2 LYS 6 -12.121 -6.771 -2.130
24 HD2 LYS 6 HD2 LYS 6 -11.140 -5.644 -1.147
25 HD3 LYS 6 HD3 LYS 6 -12.453 -7.377 -3.754
26 HD3 LYS 6 HD3 LYS 6 -11.560 -7.353 -1.281
27 HE2 LYS 6 HE2 LYS 6 -11.164 -4.705 -3.279
28 HE2 LYS 6 HE2 LYS 6 -10.349 -7.641 -3.200
29 HE3 LYS 6 HE3 LYS 6 -10.224 -6.194 -3.369
30 HE3 LYS 6 HE3 LYS 6 -10.547 -5.963 -3.704
31 HZ1 LYS 6 HZ1 LYS 6 -11.327 -4.643 -5.475
32 HZ1 LYS 6 HZ1 LYS 6 -8.807 -6.864 -1.474
33 HZ2 LYS 6 HZ2 LYS 6 -11.892 -6.235 -5.559
34 HZ2 LYS 6 HZ2 LYS 6 -8.947 -5.286 -2.061
35 HZ3 LYS 6 HZ3 LYS 6 -10.228 -5.925 -5.555
36 HZ3 LYS 6 HZ3 LYS 6 -8.263 -6.489 -3.031
37 H LEU 7 H LEU 7 -14.366 -3.780 0.624
38 H LEU 7 H LEU 7 -15.609 -2.981 -1.056
39 HA LEU 7 HA LEU 7 -14.059 -2.035 2.048
40 HA LEU 7 HA LEU 7 -13.852 -2.540 1.244
41 HB2 LEU 7 HB2 LEU 7 -14.055 -0.075 -0.191
42 HB2 LEU 7 HB2 LEU 7 -13.542 -1.408 -1.411
43 HB3 LEU 7 HB3 LEU 7 -13.055 -0.126 1.259
44 HB3 LEU 7 HB3 LEU 7 -13.697 -0.164 -0.172
45 HG LEU 7 HG LEU 7 -12.737 -2.047 -1.041
46 HG LEU 7 HG LEU 7 -11.797 -1.201 1.040
47 HD11 LEU 7 HD11 LEU 7 -11.271 0.532 -0.507
48 HD11 LEU 7 HD11 LEU 7 -12.197 -3.246 -0.966
49 HD12 LEU 7 HD12 LEU 7 -12.346 0.200 -1.862
50 HD12 LEU 7 HD12 LEU 7 -11.277 -3.302 0.537
51 HD13 LEU 7 HD13 LEU 7 -10.820 -0.671 -1.716
52 HD13 LEU 7 HD13 LEU 7 -10.529 -2.676 -0.931
53 HD21 LEU 7 HD21 LEU 7 -11.704 -1.978 1.578
54 HD21 LEU 7 HD21 LEU 7 -10.944 0.549 -0.100
55 HD22 LEU 7 HD22 LEU 7 -10.386 -1.522 0.500
56 HD22 LEU 7 HD22 LEU 7 -11.642 0.031 -1.634
57 HD23 LEU 7 HD23 LEU 7 -11.239 -3.047 0.254
58 HD23 LEU 7 HD23 LEU 7 -10.160 -0.721 -1.040
59 HA PRO 8 HA PRO 8 -18.077 -0.401 2.750
60 HA PRO 8 HA PRO 8 -17.233 -0.302 2.924
61 HB2 PRO 8 HB2 PRO 8 -17.492 1.558 4.537
62 HB2 PRO 8 HB2 PRO 8 -15.951 1.573 4.410
63 HB3 PRO 8 HB3 PRO 8 -17.446 -0.160 4.946
64 HB3 PRO 8 HB3 PRO 8 -16.010 -0.134 4.862
65 HG2 PRO 8 HG2 PRO 8 -15.193 1.677 4.235
66 HG2 PRO 8 HG2 PRO 8 -13.821 1.390 3.503
67 HG3 PRO 8 HG3 PRO 8 -15.274 0.449 5.511
68 HG3 PRO 8 HG3 PRO 8 -13.709 0.189 4.804
69 HD2 PRO 8 HD2 PRO 8 -14.020 0.016 3.152
70 HD2 PRO 8 HD2 PRO 8 -13.198 -0.415 2.214
71 HD3 PRO 8 HD3 PRO 8 -14.835 -1.279 4.050
72 HD3 PRO 8 HD3 PRO 8 -13.896 -1.588 3.348
73 HA PRO 9 HA PRO 9 -18.896 3.233 0.413
74 HA PRO 9 HA PRO 9 -18.160 3.289 0.558
75 HB2 PRO 9 HB2 PRO 9 -20.701 4.596 1.913
76 HB2 PRO 9 HB2 PRO 9 -19.744 4.684 2.264
77 HB3 PRO 9 HB3 PRO 9 -21.094 3.094 1.066
78 HB3 PRO 9 HB3 PRO 9 -20.274 3.205 1.455
79 HG2 PRO 9 HG2 PRO 9 -20.400 3.519 3.948
80 HG2 PRO 9 HG2 PRO 9 -19.245 3.576 4.243
81 HG3 PRO 9 HG3 PRO 9 -21.663 2.496 3.240
82 HG3 PRO 9 HG3 PRO 9 -20.610 2.597 3.674
83 HD2 PRO 9 HD2 PRO 9 -19.297 1.502 4.106
84 HD2 PRO 9 HD2 PRO 9 -18.191 1.528 4.259
85 HD3 PRO 9 HD3 PRO 9 -20.183 0.801 2.735
86 HD3 PRO 9 HD3 PRO 9 -19.247 0.867 2.992
87 H GLY 10 H GLY 10 -16.835 4.236 0.496
88 H GLY 10 H GLY 10 -17.406 5.325 0.150
89 HA2 GLY 10 HA2 GLY 10 -16.596 6.824 1.084
90 HA2 GLY 10 HA2 GLY 10 -16.544 7.451 0.694
91 HA3 GLY 10 HA3 GLY 10 -16.290 6.106 2.659
92 HA3 GLY 10 HA3 GLY 10 -16.230 6.880 2.326
93 H TRP 11 H TRP 11 -15.100 3.753 1.029
94 H TRP 11 H TRP 11 -14.893 4.442 1.383
95 HA TRP 11 HA TRP 11 -12.448 4.996 0.718
96 HA TRP 11 HA TRP 11 -12.278 5.629 0.948
97 HB2 TRP 11 HB2 TRP 11 -13.299 2.252 1.611
98 HB2 TRP 11 HB2 TRP 11 -13.095 2.757 1.444
99 HB3 TRP 11 HB3 TRP 11 -11.669 2.549 1.014
100 HB3 TRP 11 HB3 TRP 11 -11.435 3.336 1.351
101 HD1 TRP 11 HD1 TRP 11 -13.877 3.055 4.040
102 HD1 TRP 11 HD1 TRP 11 -14.553 3.590 3.595
103 HE1 TRP 11 HE1 TRP 11 -12.480 4.055 5.957
104 HE1 TRP 11 HE1 TRP 11 -13.794 4.260 5.961
105 HE3 TRP 11 HE3 TRP 11 -9.612 4.154 1.445
106 HE3 TRP 11 HE3 TRP 11 -9.600 4.424 2.651
107 HZ2 TRP 11 HZ2 TRP 11 -9.909 5.163 6.320
108 HZ2 TRP 11 HZ2 TRP 11 -11.410 5.040 7.256
109 HZ3 TRP 11 HZ3 TRP 11 -7.730 5.182 2.651
110 HZ3 TRP 11 HZ3 TRP 11 -8.146 5.129 4.507
111 HH2 TRP 11 HH2 TRP 11 -7.878 5.676 5.037
112 HH2 TRP 11 HH2 TRP 11 -9.036 5.431 6.761
113 H GLU 12 H GLU 12 -11.569 5.043 -1.242
114 H GLU 12 H GLU 12 -10.918 5.179 -0.781
115 HA GLU 12 HA GLU 12 -12.703 3.286 -3.317
116 HA GLU 12 HA GLU 12 -12.111 3.751 -3.056
117 HB2 GLU 12 HB2 GLU 12 -12.663 4.990 -4.821
118 HB2 GLU 12 HB2 GLU 12 -11.792 6.513 -2.929
119 HB3 GLU 12 HB3 GLU 12 -12.787 5.963 -3.361
120 HB3 GLU 12 HB3 GLU 12 -10.419 5.965 -3.880
121 HG2 GLU 12 HG2 GLU 12 -11.063 7.039 -4.347
122 HG2 GLU 12 HG2 GLU 12 -13.337 5.700 -4.463
123 HG3 GLU 12 HG3 GLU 12 -10.144 5.806 -3.485
124 HG3 GLU 12 HG3 GLU 12 -12.058 6.389 -5.463
125 H LYS 13 H LYS 13 -11.283 2.409 -4.890
126 H LYS 13 H LYS 13 -10.685 2.656 -4.391
127 HA LYS 13 HA LYS 13 -8.754 1.605 -3.821
128 HA LYS 13 HA LYS 13 -8.076 2.125 -3.203
129 HB2 LYS 13 HB2 LYS 13 -10.409 0.322 -5.396
130 HB2 LYS 13 HB2 LYS 13 -9.432 0.195 -3.766
131 HB3 LYS 13 HB3 LYS 13 -9.538 1.154 -6.677
132 HB3 LYS 13 HB3 LYS 13 -9.595 0.751 -5.427
133 HG2 LYS 13 HG2 LYS 13 -7.669 -0.081 -6.397
134 HG2 LYS 13 HG2 LYS 13 -7.098 0.538 -5.629
135 HG3 LYS 13 HG3 LYS 13 -7.890 -0.225 -4.652
136 HG3 LYS 13 HG3 LYS 13 -7.121 -0.274 -4.062
137 HD2 LYS 13 HD2 LYS 13 -10.020 -1.594 -5.966
138 HD2 LYS 13 HD2 LYS 13 -8.989 -1.260 -6.147
139 HD3 LYS 13 HD3 LYS 13 -8.487 -2.127 -6.661
140 HD3 LYS 13 HD3 LYS 13 -7.272 -1.611 -6.357
141 HE2 LYS 13 HE2 LYS 13 -9.155 -3.511 -4.751
142 HE2 LYS 13 HE2 LYS 13 -8.372 -2.097 -3.662
143 HE3 LYS 13 HE3 LYS 13 -7.644 -2.656 -4.445
144 HE3 LYS 13 HE3 LYS 13 -8.963 -3.160 -4.939
145 HZ1 LYS 13 HZ1 LYS 13 -10.113 -1.353 -3.589
146 HZ1 LYS 13 HZ1 LYS 13 -7.087 -4.296 -4.807
147 HZ2 LYS 13 HZ2 LYS 13 -8.587 -1.363 -2.861
148 HZ2 LYS 13 HZ2 LYS 13 -6.516 -3.271 -3.591
149 HZ3 LYS 13 HZ3 LYS 13 -9.608 -2.702 -2.701
150 HZ3 LYS 13 HZ3 LYS 13 -6.191 -2.921 -5.212
151 H ARG 14 H ARG 14 -6.984 2.812 -3.882
152 H ARG 14 H ARG 14 -6.325 3.142 -3.896
153 HA ARG 14 HA ARG 14 -6.529 4.519 -6.239
154 HA ARG 14 HA ARG 14 -6.225 4.018 -6.708
155 HB2 ARG 14 HB2 ARG 14 -6.571 5.191 -3.422
156 HB2 ARG 14 HB2 ARG 14 -5.021 5.445 -4.329
157 HB3 ARG 14 HB3 ARG 14 -5.012 5.575 -4.138
158 HB3 ARG 14 HB3 ARG 14 -4.936 5.969 -6.006
159 HG2 ARG 14 HG2 ARG 14 -6.816 6.529 -5.992
160 HG2 ARG 14 HG2 ARG 14 -7.662 5.535 -5.076
161 HG3 ARG 14 HG3 ARG 14 -7.574 6.897 -4.440
162 HG3 ARG 14 HG3 ARG 14 -6.795 6.770 -4.163
163 HD2 ARG 14 HD2 ARG 14 -6.236 8.666 -4.291
164 HD2 ARG 14 HD2 ARG 14 -7.144 6.669 -7.158
165 HD3 ARG 14 HD3 ARG 14 -4.880 7.553 -4.121
166 HD3 ARG 14 HD3 ARG 14 -7.970 7.761 -6.047
167 HE ARG 14 HE ARG 14 -4.258 8.020 -6.283
168 HE ARG 14 HE ARG 14 -5.151 8.003 -5.814
169 HH11 ARG 14 HH11 ARG 14 -7.454 9.266 -5.691
170 HH11 ARG 14 HH11 ARG 14 -7.846 8.874 -7.838
171 HH12 ARG 14 HH12 ARG 14 -7.524 10.155 -7.177
172 HH12 ARG 14 HH12 ARG 14 -7.081 10.293 -8.470
173 HH21 ARG 14 HH21 ARG 14 -4.338 9.187 -8.241
174 HH21 ARG 14 HH21 ARG 14 -4.132 9.870 -6.639
175 HH22 ARG 14 HH22 ARG 14 -5.752 10.109 -8.627
176 HH22 ARG 14 HH22 ARG 14 -4.970 10.860 -7.787
177 H MET 15 H MET 15 -4.292 4.874 -6.816
178 H MET 15 H MET 15 -3.921 4.420 -7.445
179 HA MET 15 HA MET 15 -2.498 2.733 -5.873
180 HA MET 15 HA MET 15 -2.051 2.529 -6.195
181 HB2 MET 15 HB2 MET 15 -3.579 2.792 -8.357
182 HB2 MET 15 HB2 MET 15 -2.950 1.330 -8.058
183 HB3 MET 15 HB3 MET 15 -2.111 3.721 -8.630
184 HB3 MET 15 HB3 MET 15 -2.772 2.722 -9.118
185 HG2 MET 15 HG2 MET 15 -1.364 1.466 -7.128
186 HG2 MET 15 HG2 MET 15 -0.491 2.447 -9.322
187 HG3 MET 15 HG3 MET 15 -2.448 0.896 -8.396
188 HG3 MET 15 HG3 MET 15 -0.366 1.522 -7.826
189 HE1 MET 15 HE1 MET 15 -0.381 -0.552 -8.944
190 HE1 MET 15 HE1 MET 15 1.133 0.730 -10.439
191 HE2 MET 15 HE2 MET 15 -1.099 -0.140 -10.501
192 HE2 MET 15 HE2 MET 15 1.203 -0.330 -9.031
193 HE3 MET 15 HE3 MET 15 0.652 -0.068 -10.289
194 HE3 MET 15 HE3 MET 15 0.809 -0.996 -10.616
195 H SER 16 H SER 16 -0.174 3.342 -6.980
196 H SER 16 H SER 16 -0.029 3.274 -5.963
197 HA SER 16 HA SER 16 0.395 6.058 -5.991
198 HA SER 16 HA SER 16 0.589 5.970 -6.332
199 HB2 SER 16 HB2 SER 16 1.440 3.752 -5.039
200 HB2 SER 16 HB2 SER 16 1.747 3.941 -4.963
201 HB3 SER 16 HB3 SER 16 2.628 4.133 -6.286
202 HB3 SER 16 HB3 SER 16 2.873 4.085 -6.313
203 HG SER 16 HG SER 16 2.340 6.378 -5.148
204 HG SER 16 HG SER 16 2.047 6.205 -4.613
205 H ARG 17 H ARG 17 2.457 6.995 -6.987
206 H ARG 17 H ARG 17 2.600 6.703 -7.591
207 HA ARG 17 HA ARG 17 2.411 6.507 -9.893
208 HA ARG 17 HA ARG 17 2.460 5.599 -10.321
209 HB2 ARG 17 HB2 ARG 17 1.465 8.661 -9.479
210 HB2 ARG 17 HB2 ARG 17 1.433 7.756 -10.347
211 HB3 ARG 17 HB3 ARG 17 2.749 9.079 -8.354
212 HB3 ARG 17 HB3 ARG 17 2.736 8.458 -9.398
213 HG2 ARG 17 HG2 ARG 17 4.356 9.070 -10.211
214 HG2 ARG 17 HG2 ARG 17 4.276 8.081 -11.279
215 HG3 ARG 17 HG3 ARG 17 3.041 8.700 -11.328
216 HG3 ARG 17 HG3 ARG 17 2.929 7.455 -12.229
217 HD2 ARG 17 HD2 ARG 17 3.463 11.196 -9.705
218 HD2 ARG 17 HD2 ARG 17 3.343 10.247 -11.193
219 HD3 ARG 17 HD3 ARG 17 3.390 11.035 -11.460
220 HD3 ARG 17 HD3 ARG 17 3.198 9.716 -12.868
221 HE ARG 17 HE ARG 17 1.186 11.330 -9.666
222 HE ARG 17 HE ARG 17 0.824 9.006 -11.773
223 HH11 ARG 17 HH11 ARG 17 2.178 9.947 -12.705
224 HH11 ARG 17 HH11 ARG 17 2.627 11.981 -11.890
225 HH12 ARG 17 HH12 ARG 17 0.583 9.956 -13.378
226 HH12 ARG 17 HH12 ARG 17 1.219 12.989 -11.852
227 HH21 ARG 17 HH21 ARG 17 -0.920 11.345 -10.542
228 HH21 ARG 17 HH21 ARG 17 -1.039 10.321 -11.723
229 HH22 ARG 17 HH22 ARG 17 -1.179 10.754 -12.148
230 HH22 ARG 17 HH22 ARG 17 -0.867 12.044 -11.756
231 H ASN 18 H ASN 18 4.384 7.187 -7.073
232 H ASN 18 H ASN 18 4.469 6.698 -7.717
233 HA ASN 18 HA ASN 18 6.794 6.652 -8.679
234 HA ASN 18 HA ASN 18 6.904 6.726 -9.254
235 HB2 ASN 18 HB2 ASN 18 6.395 8.896 -7.308
236 HB2 ASN 18 HB2 ASN 18 6.480 8.134 -7.197
237 HB3 ASN 18 HB3 ASN 18 7.000 7.907 -5.984
238 HB3 ASN 18 HB3 ASN 18 6.634 6.660 -6.246
239 HD21 ASN 18 HD21 ASN 18 8.944 6.454 -6.928
240 HD21 ASN 18 HD21 ASN 18 8.381 8.248 -8.899
241 HD22 ASN 18 HD22 ASN 18 10.196 7.408 -7.640
242 HD22 ASN 18 HD22 ASN 18 9.950 8.065 -8.198
243 H SER 19 H SER 19 5.547 4.420 -8.053
244 H SER 19 H SER 19 5.528 4.616 -6.737
245 HA SER 19 HA SER 19 7.384 2.996 -6.468
246 HA SER 19 HA SER 19 7.494 2.559 -7.463
247 HB2 SER 19 HB2 SER 19 5.227 4.214 -5.006
248 HB2 SER 19 HB2 SER 19 6.837 1.481 -5.319
249 HB3 SER 19 HB3 SER 19 5.065 2.460 -4.941
250 HB3 SER 19 HB3 SER 19 7.472 3.111 -5.095
251 HG SER 19 HG SER 19 6.744 2.376 -3.685
252 HG SER 19 HG SER 19 5.396 2.427 -3.996
253 H GLY 20 H GLY 20 3.854 2.799 -6.989
254 H GLY 20 H GLY 20 4.099 2.593 -6.349
255 HA2 GLY 20 HA2 GLY 20 3.098 1.403 -8.894
256 HA2 GLY 20 HA2 GLY 20 2.449 1.769 -8.063
257 HA3 GLY 20 HA3 GLY 20 4.336 0.254 -8.414
258 HA3 GLY 20 HA3 GLY 20 3.570 0.436 -8.300
259 H ARG 21 H ARG 21 3.804 0.591 -5.559
260 H ARG 21 H ARG 21 2.890 1.801 -5.151
261 HA ARG 21 HA ARG 21 2.002 -1.485 -5.161
262 HA ARG 21 HA ARG 21 1.883 -0.790 -4.287
263 HB2 ARG 21 HB2 ARG 21 2.652 0.695 -3.171
264 HB2 ARG 21 HB2 ARG 21 3.193 1.500 -3.013
265 HB3 ARG 21 HB3 ARG 21 2.084 -0.931 -2.809
266 HB3 ARG 21 HB3 ARG 21 1.877 0.826 -2.062
267 HG2 ARG 21 HG2 ARG 21 4.162 -1.857 -3.710
268 HG2 ARG 21 HG2 ARG 21 2.974 -1.116 -1.660
269 HG3 ARG 21 HG3 ARG 21 4.732 -0.222 -4.055
270 HG3 ARG 21 HG3 ARG 21 3.819 -1.088 -3.210
271 HD2 ARG 21 HD2 ARG 21 4.203 -1.486 -1.378
272 HD2 ARG 21 HD2 ARG 21 5.249 -0.743 -1.153
273 HD3 ARG 21 HD3 ARG 21 5.727 -0.863 -2.006
274 HD3 ARG 21 HD3 ARG 21 5.410 0.470 -2.424
275 HE ARG 21 HE ARG 21 4.136 1.321 -1.987
276 HE ARG 21 HE ARG 21 4.663 2.030 -0.942
277 HH11 ARG 21 HH11 ARG 21 4.940 -1.067 0.414
278 HH11 ARG 21 HH11 ARG 21 3.660 -1.115 0.164
279 HH12 ARG 21 HH12 ARG 21 4.766 0.025 1.749
280 HH12 ARG 21 HH12 ARG 21 2.996 -0.524 1.652
281 HH21 ARG 21 HH21 ARG 21 3.903 2.769 -0.241
282 HH21 ARG 21 HH21 ARG 21 3.793 2.820 1.013
283 HH22 ARG 21 HH22 ARG 21 4.174 2.207 1.373
284 HH22 ARG 21 HH22 ARG 21 3.071 1.715 2.133
285 H VAL 22 H VAL 22 0.072 -1.087 -3.492
286 H VAL 22 H VAL 22 -0.205 -1.215 -4.016
287 HA VAL 22 HA VAL 22 -1.612 1.081 -4.554
288 HA VAL 22 HA VAL 22 -2.192 0.780 -4.525
289 HB VAL 22 HB VAL 22 -3.554 -0.591 -4.239
290 HB VAL 22 HB VAL 22 -2.473 -2.076 -3.582
291 HG11 VAL 22 HG11 VAL 22 -3.147 0.157 -6.408
292 HG11 VAL 22 HG11 VAL 22 -4.830 -1.866 -4.250
293 HG12 VAL 22 HG12 VAL 22 -1.563 -0.621 -6.482
294 HG12 VAL 22 HG12 VAL 22 -4.418 -0.778 -2.923
295 HG13 VAL 22 HG13 VAL 22 -3.030 -1.598 -6.548
296 HG13 VAL 22 HG13 VAL 22 -4.576 -0.150 -4.564
297 HG21 VAL 22 HG21 VAL 22 -1.406 -2.623 -4.759
298 HG21 VAL 22 HG21 VAL 22 -2.243 -2.689 -5.706
299 HG22 VAL 22 HG22 VAL 22 -1.970 -2.263 -3.127
300 HG22 VAL 22 HG22 VAL 22 -3.436 -1.502 -6.235
301 HG23 VAL 22 HG23 VAL 22 -3.097 -2.888 -4.331
302 HG23 VAL 22 HG23 VAL 22 -1.742 -1.036 -6.071
303 H TYR 23 H TYR 23 -3.574 1.452 -3.156
304 H TYR 23 H TYR 23 -3.537 1.817 -3.135
305 HA TYR 23 HA TYR 23 -3.555 0.587 -0.446
306 HA TYR 23 HA TYR 23 -3.498 1.127 -0.302
307 HB2 TYR 23 HB2 TYR 23 -3.112 2.890 0.515
308 HB2 TYR 23 HB2 TYR 23 -3.015 3.431 0.384
309 HB3 TYR 23 HB3 TYR 23 -1.706 2.047 -0.127
310 HB3 TYR 23 HB3 TYR 23 -1.682 2.757 -0.549
311 HD1 TYR 23 HD1 TYR 23 -3.917 4.915 -0.493
312 HD1 TYR 23 HD1 TYR 23 -4.403 5.214 -0.531
313 HD2 TYR 23 HD2 TYR 23 -0.687 2.773 -2.250
314 HD2 TYR 23 HD2 TYR 23 -1.147 3.611 -2.754
315 HE1 TYR 23 HE1 TYR 23 -3.422 6.849 -1.930
316 HE1 TYR 23 HE1 TYR 23 -4.503 7.140 -2.056
317 HE2 TYR 23 HE2 TYR 23 -0.185 4.700 -3.691
318 HE2 TYR 23 HE2 TYR 23 -1.238 5.533 -4.285
319 HH TYR 23 HH TYR 23 -0.669 6.820 -4.166
320 HH TYR 23 HH TYR 23 -3.631 8.124 -3.841
321 H TYR 24 H TYR 24 -4.967 2.392 0.861
322 H TYR 24 H TYR 24 -5.010 2.799 0.888
323 HA TYR 24 HA TYR 24 -7.327 2.845 -0.845
324 HA TYR 24 HA TYR 24 -7.376 3.241 -0.812
325 HB2 TYR 24 HB2 TYR 24 -7.378 2.565 2.156
326 HB2 TYR 24 HB2 TYR 24 -7.509 2.473 2.101
327 HB3 TYR 24 HB3 TYR 24 -8.721 2.433 1.026
328 HB3 TYR 24 HB3 TYR 24 -8.816 2.487 0.921
329 HD1 TYR 24 HD1 TYR 24 -8.557 0.476 -0.701
330 HD1 TYR 24 HD1 TYR 24 -8.261 0.926 -1.223
331 HD2 TYR 24 HD2 TYR 24 -6.363 0.633 2.941
332 HD2 TYR 24 HD2 TYR 24 -6.707 0.405 2.704
333 HE1 TYR 24 HE1 TYR 24 -8.251 -1.964 -0.788
334 HE1 TYR 24 HE1 TYR 24 -7.855 -1.452 -1.705
335 HE2 TYR 24 HE2 TYR 24 -6.050 -1.804 2.864
336 HE2 TYR 24 HE2 TYR 24 -6.294 -1.974 2.232
337 HH TYR 24 HH TYR 24 -6.504 -3.688 1.784
338 HH TYR 24 HH TYR 24 -7.587 -3.559 -0.478
339 H PHE 25 H PHE 25 -8.476 4.769 -0.660
340 H PHE 25 H PHE 25 -8.271 5.206 -0.728
341 HA PHE 25 HA PHE 25 -7.212 6.891 0.939
342 HA PHE 25 HA PHE 25 -7.476 7.006 1.464
343 HB2 PHE 25 HB2 PHE 25 -6.459 7.268 -1.304
344 HB2 PHE 25 HB2 PHE 25 -6.200 7.723 -0.418
345 HB3 PHE 25 HB3 PHE 25 -8.079 7.031 -1.951
346 HB3 PHE 25 HB3 PHE 25 -7.587 7.592 -1.495
347 HD1 PHE 25 HD1 PHE 25 -6.415 9.181 0.610
348 HD1 PHE 25 HD1 PHE 25 -6.273 9.481 1.412
349 HD2 PHE 25 HD2 PHE 25 -9.171 8.923 -2.621
350 HD2 PHE 25 HD2 PHE 25 -8.968 9.425 -1.881
351 HE1 PHE 25 HE1 PHE 25 -6.828 11.600 0.775
352 HE1 PHE 25 HE1 PHE 25 -6.789 11.856 1.799
353 HE2 PHE 25 HE2 PHE 25 -9.589 11.343 -2.463
354 HE2 PHE 25 HE2 PHE 25 -9.490 11.800 -1.499
355 HZ PHE 25 HZ PHE 25 -8.416 12.686 -0.762
356 HZ PHE 25 HZ PHE 25 -8.399 13.019 0.341
357 H ASN 26 H ASN 26 -8.586 8.020 2.158
358 H ASN 26 H ASN 26 -9.022 8.443 2.202
359 HA ASN 26 HA ASN 26 -11.453 7.542 1.809
360 HA ASN 26 HA ASN 26 -11.759 7.888 1.287
361 HB2 ASN 26 HB2 ASN 26 -10.348 7.144 4.033
362 HB2 ASN 26 HB2 ASN 26 -11.058 7.471 3.718
363 HB3 ASN 26 HB3 ASN 26 -10.056 8.878 4.134
364 HB3 ASN 26 HB3 ASN 26 -11.011 9.224 3.884
365 HD21 ASN 26 HD21 ASN 26 -12.477 6.371 4.126
366 HD21 ASN 26 HD21 ASN 26 -12.722 7.279 5.204
367 HD22 ASN 26 HD22 ASN 26 -13.752 7.329 4.791
368 HD22 ASN 26 HD22 ASN 26 -14.347 7.735 4.830
369 H HIS 27 H HIS 27 -12.471 8.973 0.570
370 H HIS 27 H HIS 27 -12.852 9.419 0.249
371 HA HIS 27 HA HIS 27 -11.532 11.728 0.432
372 HA HIS 27 HA HIS 27 -11.679 12.021 -0.142
373 HB2 HIS 27 HB2 HIS 27 -12.936 11.966 -1.488
374 HB2 HIS 27 HB2 HIS 27 -13.712 12.394 -1.583
375 HB3 HIS 27 HB3 HIS 27 -12.119 10.414 -1.635
376 HB3 HIS 27 HB3 HIS 27 -12.717 11.018 -2.051
377 HD1 HIS 27 HD1 HIS 27 -14.774 11.030 -3.116
378 HD1 HIS 27 HD1 HIS 27 -16.026 11.857 -0.474
379 HD2 HIS 27 HD2 HIS 27 -14.501 9.077 0.541
380 HD2 HIS 27 HD2 HIS 27 -13.968 8.550 -1.922
381 HE1 HIS 27 HE1 HIS 27 -16.886 9.680 -2.914
382 HE1 HIS 27 HE1 HIS 27 -17.713 9.995 -0.546
383 H ILE 28 H ILE 28 -12.722 10.857 2.885
384 H ILE 28 H ILE 28 -13.950 10.631 1.996
385 HA ILE 28 HA ILE 28 -15.103 12.591 2.919
386 HA ILE 28 HA ILE 28 -15.348 13.100 2.564
387 HB ILE 28 HB ILE 28 -14.669 10.066 4.516
388 HB ILE 28 HB ILE 28 -15.438 10.429 3.976
389 HG12 ILE 28 HG12 ILE 28 -15.393 9.676 2.205
390 HG12 ILE 28 HG12 ILE 28 -17.300 11.718 1.967
391 HG13 ILE 28 HG13 ILE 28 -16.675 9.273 3.342
392 HG13 ILE 28 HG13 ILE 28 -16.297 10.295 1.704
393 HG21 ILE 28 HG21 ILE 28 -16.232 12.400 5.100
394 HG21 ILE 28 HG21 ILE 28 -17.217 12.846 4.284
395 HG22 ILE 28 HG22 ILE 28 -17.288 11.009 4.855
396 HG22 ILE 28 HG22 ILE 28 -17.456 11.282 5.063
397 HG23 ILE 28 HG23 ILE 28 -16.003 10.939 6.061
398 HG23 ILE 28 HG23 ILE 28 -16.047 12.262 5.467
399 HD11 ILE 28 HD11 ILE 28 -17.352 11.799 2.823
400 HD11 ILE 28 HD11 ILE 28 -17.596 9.086 3.391
401 HD12 ILE 28 HD12 ILE 28 -16.538 11.403 1.309
402 HD12 ILE 28 HD12 ILE 28 -18.616 10.510 3.606
403 HD13 ILE 28 HD13 ILE 28 -17.907 10.432 1.854
404 HD13 ILE 28 HD13 ILE 28 -18.600 9.664 2.060
405 H THR 29 H THR 29 -12.468 11.221 4.863
406 H THR 29 H THR 29 -13.061 10.970 4.261
407 HA THR 29 HA THR 29 -12.563 13.638 6.547
408 HA THR 29 HA THR 29 -12.721 12.949 6.369
409 HB THR 29 HB THR 29 -11.057 11.467 7.733
410 HB THR 29 HB THR 29 -10.934 11.088 7.058
411 HG1 THR 29 HG1 THR 29 -12.460 10.040 6.786
412 HG1 THR 29 HG1 THR 29 -11.473 9.095 6.289
413 HG21 THR 29 HG21 THR 29 -11.855 13.395 8.978
414 HG21 THR 29 HG21 THR 29 -13.889 10.587 7.396
415 HG22 THR 29 HG22 THR 29 -12.581 11.923 9.624
416 HG22 THR 29 HG22 THR 29 -13.009 11.837 8.276
417 HG23 THR 29 HG23 THR 29 -13.525 12.989 8.582
418 HG23 THR 29 HG23 THR 29 -12.583 10.139 8.493
419 H ASN 30 H ASN 30 -11.123 13.218 4.002
420 H ASN 30 H ASN 30 -11.226 11.993 3.442
421 HA ASN 30 HA ASN 30 -9.055 13.485 3.071
422 HA ASN 30 HA ASN 30 -9.383 12.735 2.333
423 HB2 ASN 30 HB2 ASN 30 -9.050 15.225 5.509
424 HB2 ASN 30 HB2 ASN 30 -10.300 14.956 3.271
425 HB3 ASN 30 HB3 ASN 30 -7.581 15.084 4.548
426 HB3 ASN 30 HB3 ASN 30 -9.006 14.834 4.459
427 HD21 ASN 30 HD21 ASN 30 -7.830 15.503 2.205
428 HD21 ASN 30 HD21 ASN 30 -9.155 16.950 2.728
429 HD22 ASN 30 HD22 ASN 30 -8.916 16.756 1.722
430 HD22 ASN 30 HD22 ASN 30 -7.849 16.872 1.602
431 H ALA 31 H ALA 31 -9.365 11.114 4.676
432 H ALA 31 H ALA 31 -8.733 10.580 3.512
433 HA ALA 31 HA ALA 31 -6.724 10.799 5.914
434 HA ALA 31 HA ALA 31 -6.043 11.017 4.493
435 HB1 ALA 31 HB1 ALA 31 -7.969 8.440 6.376
436 HB1 ALA 31 HB1 ALA 31 -7.882 9.330 6.170
437 HB2 ALA 31 HB2 ALA 31 -8.057 9.837 7.449
438 HB2 ALA 31 HB2 ALA 31 -6.251 9.886 6.551
439 HB3 ALA 31 HB3 ALA 31 -9.350 9.534 6.290
440 HB3 ALA 31 HB3 ALA 31 -7.587 11.036 6.505
441 H SER 32 H SER 32 -5.490 8.843 5.458
442 H SER 32 H SER 32 -4.761 9.062 4.517
443 HA SER 32 HA SER 32 -6.077 7.343 3.073
444 HA SER 32 HA SER 32 -5.900 6.936 2.823
445 HB2 SER 32 HB2 SER 32 -3.493 8.855 2.956
446 HB2 SER 32 HB2 SER 32 -4.341 7.778 1.367
447 HB3 SER 32 HB3 SER 32 -4.433 8.144 1.642
448 HB3 SER 32 HB3 SER 32 -3.320 8.409 2.657
449 HG SER 32 HG SER 32 -4.436 10.581 2.071
450 HG SER 32 HG SER 32 -3.573 5.694 1.866
451 H GLN 33 H GLN 33 -5.896 5.558 4.428
452 H GLN 33 H GLN 33 -5.187 4.799 3.199
453 HA GLN 33 HA GLN 33 -3.180 5.002 5.427
454 HA GLN 33 HA GLN 33 -3.498 4.243 5.482
455 HB2 GLN 33 HB2 GLN 33 -4.273 3.467 7.055
456 HB2 GLN 33 HB2 GLN 33 -5.796 4.640 6.424
457 HB3 GLN 33 HB3 GLN 33 -4.711 5.155 7.277
458 HB3 GLN 33 HB3 GLN 33 -6.350 3.253 5.494
459 HG2 GLN 33 HG2 GLN 33 -6.867 4.834 6.540
460 HG2 GLN 33 HG2 GLN 33 -4.971 1.768 6.734
461 HG3 GLN 33 HG3 GLN 33 -6.449 3.388 5.623
462 HG3 GLN 33 HG3 GLN 33 -4.134 3.107 7.518
463 HE21 GLN 33 HE21 GLN 33 -8.229 2.341 6.616
464 HE21 GLN 33 HE21 GLN 33 -6.695 0.924 7.696
465 HE22 GLN 33 HE22 GLN 33 -8.108 1.732 8.229
466 HE22 GLN 33 HE22 GLN 33 -7.498 1.590 9.072
467 H PHE 34 H PHE 34 -2.516 2.737 5.387
468 H PHE 34 H PHE 34 -2.380 2.423 5.167
469 HA PHE 34 HA PHE 34 -3.317 1.491 2.891
470 HA PHE 34 HA PHE 34 -2.852 0.891 2.774
471 HB2 PHE 34 HB2 PHE 34 -1.227 0.469 4.808
472 HB2 PHE 34 HB2 PHE 34 -0.786 0.547 4.959
473 HB3 PHE 34 HB3 PHE 34 -1.356 0.168 3.077
474 HB3 PHE 34 HB3 PHE 34 -0.798 -0.321 3.427
475 HD1 PHE 34 HD1 PHE 34 -1.775 2.876 2.032
476 HD1 PHE 34 HD1 PHE 34 -1.037 1.365 1.322
477 HD2 PHE 34 HD2 PHE 34 0.837 1.478 5.088
478 HD2 PHE 34 HD2 PHE 34 0.676 2.296 5.107
479 HE1 PHE 34 HE1 PHE 34 -0.255 4.761 1.591
480 HE1 PHE 34 HE1 PHE 34 0.265 3.176 0.284
481 HE2 PHE 34 HE2 PHE 34 2.360 3.361 4.652
482 HE2 PHE 34 HE2 PHE 34 1.980 4.109 4.075
483 HZ PHE 34 HZ PHE 34 1.813 5.006 2.903
484 HZ PHE 34 HZ PHE 34 1.776 4.551 1.661
485 H GLU 35 H GLU 35 -3.654 0.989 6.317
486 H GLU 35 H GLU 35 -3.275 0.457 6.226
487 HA GLU 35 HA GLU 35 -4.271 -1.713 6.426
488 HA GLU 35 HA GLU 35 -3.855 -2.351 6.041
489 HB2 GLU 35 HB2 GLU 35 -4.425 0.506 8.170
490 HB2 GLU 35 HB2 GLU 35 -4.573 -0.539 8.340
491 HB3 GLU 35 HB3 GLU 35 -6.006 -0.262 8.194
492 HB3 GLU 35 HB3 GLU 35 -4.266 -2.269 8.378
493 HG2 GLU 35 HG2 GLU 35 -5.223 -1.779 9.592
494 HG2 GLU 35 HG2 GLU 35 -1.901 -1.395 7.443
495 HG3 GLU 35 HG3 GLU 35 -4.100 -2.325 8.348
496 HG3 GLU 35 HG3 GLU 35 -2.385 -0.008 8.417
497 H ARG 36 H ARG 36 -6.406 -2.726 6.738
498 H ARG 36 H ARG 36 -5.734 -3.274 5.560
499 HA ARG 36 HA ARG 36 -8.204 -1.899 4.618
500 HA ARG 36 HA ARG 36 -7.926 -1.932 4.562
501 HB2 ARG 36 HB2 ARG 36 -7.537 -4.276 4.897
502 HB2 ARG 36 HB2 ARG 36 -7.530 -4.322 4.197
503 HB3 ARG 36 HB3 ARG 36 -8.364 -4.298 6.450
504 HB3 ARG 36 HB3 ARG 36 -7.876 -4.647 5.891
505 HG2 ARG 36 HG2 ARG 36 -10.455 -3.627 5.165
506 HG2 ARG 36 HG2 ARG 36 -10.167 -3.554 5.381
507 HG3 ARG 36 HG3 ARG 36 -9.551 -4.046 3.709
508 HG3 ARG 36 HG3 ARG 36 -9.747 -3.873 3.696
509 HD2 ARG 36 HD2 ARG 36 -9.083 -6.272 4.987
510 HD2 ARG 36 HD2 ARG 36 -9.194 -6.270 4.654
511 HD3 ARG 36 HD3 ARG 36 -10.496 -5.805 5.932
512 HD3 ARG 36 HD3 ARG 36 -10.330 -5.777 5.908
513 HE ARG 36 HE ARG 36 -10.456 -6.736 3.208
514 HE ARG 36 HE ARG 36 -11.433 -5.273 3.359
515 HH11 ARG 36 HH11 ARG 36 -12.227 -4.938 5.607
516 HH11 ARG 36 HH11 ARG 36 -10.653 -7.891 5.519
517 HH12 ARG 36 HH12 ARG 36 -13.761 -5.169 4.837
518 HH12 ARG 36 HH12 ARG 36 -11.891 -8.937 4.909
519 HH21 ARG 36 HH21 ARG 36 -12.471 -7.047 2.183
520 HH21 ARG 36 HH21 ARG 36 -13.067 -6.642 2.547
521 HH22 ARG 36 HH22 ARG 36 -13.900 -6.370 2.890
522 HH22 ARG 36 HH22 ARG 36 -13.265 -8.225 3.219
523 HA PRO 37 HA PRO 37 -10.702 0.295 7.622
524 HA PRO 37 HA PRO 37 -9.481 -0.237 8.423
525 HB2 PRO 37 HB2 PRO 37 -12.430 1.320 5.795
526 HB2 PRO 37 HB2 PRO 37 -11.325 1.369 7.242
527 HB3 PRO 37 HB3 PRO 37 -10.820 1.994 6.078
528 HB3 PRO 37 HB3 PRO 37 -9.610 1.784 7.338
529 HG2 PRO 37 HG2 PRO 37 -11.745 0.140 3.917
530 HG2 PRO 37 HG2 PRO 37 -11.148 0.610 5.055
531 HG3 PRO 37 HG3 PRO 37 -10.680 1.555 3.799
532 HG3 PRO 37 HG3 PRO 37 -9.923 1.892 5.037
533 HD2 PRO 37 HD2 PRO 37 -9.733 -0.983 3.849
534 HD2 PRO 37 HD2 PRO 37 -9.364 -0.666 4.349
535 HD3 PRO 37 HD3 PRO 37 -8.838 0.387 4.542
536 HD3 PRO 37 HD3 PRO 37 -8.173 0.396 5.129
537 H SER 38 H SER 38 -11.829 -1.190 8.783
538 H SER 38 H SER 38 -11.594 -0.182 9.469
539 HA SER 38 HA SER 38 -13.512 -3.173 7.752
540 HA SER 38 HA SER 38 -13.321 -2.358 8.506
541 HB2 SER 38 HB2 SER 38 -14.539 -2.687 10.258
542 HB2 SER 38 HB2 SER 38 -12.287 -2.681 10.735
543 HB3 SER 38 HB3 SER 38 -13.165 -3.737 9.911
544 HB3 SER 38 HB3 SER 38 -13.084 -1.214 11.301
545 HG SER 38 HG SER 38 -12.855 -2.019 11.537
546 HG SER 38 HG SER 38 -14.968 -2.226 11.336
547 H GLY 39 H GLY 39 -14.169 0.144 8.750
548 H GLY 39 H GLY 39 -15.670 -2.091 9.372
549 HA2 GLY 39 HA2 GLY 39 -15.893 1.495 7.918
550 HA2 GLY 39 HA2 GLY 39 -16.522 0.694 8.861
551 HA3 GLY 39 HA3 GLY 39 -16.674 0.060 7.269
552 HA3 GLY 39 HA3 GLY 39 -17.361 -0.687 8.172
Start of MODEL 17
1 H1 SER 5 H SER 5 -11.495 -5.316 -3.626
2 H1 SER 5 H SER 5 -12.081 -5.811 -4.293
3 HA SER 5 HA SER 5 -12.669 -3.602 -4.600
4 HA SER 5 HA SER 5 -13.807 -4.000 -5.403
5 HB2 SER 5 HB2 SER 5 -12.832 -5.348 -6.571
6 HB2 SER 5 HB2 SER 5 -14.663 -5.772 -6.537
7 HB3 SER 5 HB3 SER 5 -14.508 -5.477 -6.037
8 HB3 SER 5 HB3 SER 5 -13.350 -6.658 -5.762
9 HG SER 5 HG SER 5 -14.903 -3.556 -6.810
10 HG SER 5 HG SER 5 -14.807 -7.268 -4.130
11 H LYS 6 H LYS 6 -13.303 -4.811 -2.103
12 H LYS 6 H LYS 6 -14.240 -5.869 -2.455
13 HA LYS 6 HA LYS 6 -16.178 -4.184 -1.959
14 HA LYS 6 HA LYS 6 -16.882 -4.676 -2.041
15 HB2 LYS 6 HB2 LYS 6 -14.793 -6.188 -0.180
16 HB2 LYS 6 HB2 LYS 6 -17.081 -6.265 -0.171
17 HB3 LYS 6 HB3 LYS 6 -16.520 -5.884 -0.316
18 HB3 LYS 6 HB3 LYS 6 -16.718 -7.080 -1.687
19 HG2 LYS 6 HG2 LYS 6 -16.444 -6.731 -2.639
20 HG2 LYS 6 HG2 LYS 6 -14.257 -6.476 -0.420
21 HG3 LYS 6 HG3 LYS 6 -14.741 -7.130 -2.403
22 HG3 LYS 6 HG3 LYS 6 -15.325 -7.212 0.778
23 HD2 LYS 6 HD2 LYS 6 -16.366 -8.187 -0.261
24 HD2 LYS 6 HD2 LYS 6 -15.797 -8.875 -1.245
25 HD3 LYS 6 HD3 LYS 6 -16.945 -8.744 -1.835
26 HD3 LYS 6 HD3 LYS 6 -14.177 -8.352 -1.713
27 HE2 LYS 6 HE2 LYS 6 -14.021 -8.821 -1.284
28 HE2 LYS 6 HE2 LYS 6 -15.016 -9.653 0.873
29 HE3 LYS 6 HE3 LYS 6 -15.051 -10.031 -0.522
30 HE3 LYS 6 HE3 LYS 6 -13.965 -10.324 -0.374
31 HZ1 LYS 6 HZ1 LYS 6 -15.924 -10.106 -3.047
32 HZ1 LYS 6 HZ1 LYS 6 -12.359 -8.564 0.114
33 HZ2 LYS 6 HZ2 LYS 6 -14.719 -11.125 -2.436
34 HZ2 LYS 6 HZ2 LYS 6 -12.667 -9.520 1.475
35 HZ3 LYS 6 HZ3 LYS 6 -14.292 -9.733 -3.299
36 HZ3 LYS 6 HZ3 LYS 6 -13.358 -7.982 1.347
37 H LEU 7 H LEU 7 -15.985 -2.111 -1.227
38 H LEU 7 H LEU 7 -14.994 -2.769 -1.913
39 HA LEU 7 HA LEU 7 -14.818 -1.801 1.451
40 HA LEU 7 HA LEU 7 -14.032 -2.406 0.779
41 HB2 LEU 7 HB2 LEU 7 -14.644 0.528 -0.356
42 HB2 LEU 7 HB2 LEU 7 -13.783 -1.018 -1.804
43 HB3 LEU 7 HB3 LEU 7 -13.541 -0.011 0.910
44 HB3 LEU 7 HB3 LEU 7 -13.731 0.023 -0.383
45 HG LEU 7 HG LEU 7 -13.743 -1.273 -1.823
46 HG LEU 7 HG LEU 7 -11.804 -1.141 0.464
47 HD11 LEU 7 HD11 LEU 7 -11.664 0.643 -0.777
48 HD11 LEU 7 HD11 LEU 7 -11.666 -3.321 0.013
49 HD12 LEU 7 HD12 LEU 7 -12.944 1.062 -1.916
50 HD12 LEU 7 HD12 LEU 7 -10.914 -2.834 -1.507
51 HD13 LEU 7 HD13 LEU 7 -11.707 -0.108 -2.372
52 HD13 LEU 7 HD13 LEU 7 -12.646 -3.171 -1.446
53 HD21 LEU 7 HD21 LEU 7 -11.266 -1.784 -0.691
54 HD21 LEU 7 HD21 LEU 7 -11.720 -0.226 -2.380
55 HD22 LEU 7 HD22 LEU 7 -12.610 -2.917 -0.840
56 HD22 LEU 7 HD22 LEU 7 -10.265 -0.852 -1.607
57 HD23 LEU 7 HD23 LEU 7 -12.402 -1.986 0.644
58 HD23 LEU 7 HD23 LEU 7 -11.085 0.555 -0.932
59 HA PRO 8 HA PRO 8 -18.601 0.156 2.514
60 HA PRO 8 HA PRO 8 -17.441 -0.251 2.512
61 HB2 PRO 8 HB2 PRO 8 -17.763 1.885 4.434
62 HB2 PRO 8 HB2 PRO 8 -16.173 1.495 4.160
63 HB3 PRO 8 HB3 PRO 8 -17.856 0.137 4.688
64 HB3 PRO 8 HB3 PRO 8 -16.273 -0.239 4.490
65 HG2 PRO 8 HG2 PRO 8 -15.479 1.832 4.025
66 HG2 PRO 8 HG2 PRO 8 -14.021 1.338 3.303
67 HG3 PRO 8 HG3 PRO 8 -15.614 0.503 5.190
68 HG3 PRO 8 HG3 PRO 8 -13.964 0.049 4.519
69 HD2 PRO 8 HD2 PRO 8 -14.510 0.184 2.738
70 HD2 PRO 8 HD2 PRO 8 -13.390 -0.384 1.909
71 HD3 PRO 8 HD3 PRO 8 -15.397 -1.114 3.562
72 HD3 PRO 8 HD3 PRO 8 -14.137 -1.620 2.940
73 HA PRO 9 HA PRO 9 -19.192 4.048 0.555
74 HA PRO 9 HA PRO 9 -18.246 3.512 0.382
75 HB2 PRO 9 HB2 PRO 9 -20.794 5.417 2.264
76 HB2 PRO 9 HB2 PRO 9 -19.845 4.819 2.143
77 HB3 PRO 9 HB3 PRO 9 -21.361 4.041 1.311
78 HB3 PRO 9 HB3 PRO 9 -20.382 3.409 1.223
79 HG2 PRO 9 HG2 PRO 9 -20.500 4.136 4.176
80 HG2 PRO 9 HG2 PRO 9 -19.414 3.570 4.052
81 HG3 PRO 9 HG3 PRO 9 -21.883 3.295 3.450
82 HG3 PRO 9 HG3 PRO 9 -20.782 2.659 3.388
83 HD2 PRO 9 HD2 PRO 9 -19.581 2.024 4.097
84 HD2 PRO 9 HD2 PRO 9 -18.398 1.505 3.952
85 HD3 PRO 9 HD3 PRO 9 -20.588 1.533 2.720
86 HD3 PRO 9 HD3 PRO 9 -19.435 0.954 2.620
87 H GLY 10 H GLY 10 -16.967 4.742 0.711
88 H GLY 10 H GLY 10 -17.431 5.547 0.125
89 HA2 GLY 10 HA2 GLY 10 -16.319 7.199 1.271
90 HA2 GLY 10 HA2 GLY 10 -16.559 7.621 0.849
91 HA3 GLY 10 HA3 GLY 10 -16.373 6.588 2.918
92 HA3 GLY 10 HA3 GLY 10 -16.270 6.919 2.435
93 H TRP 11 H TRP 11 -15.256 4.678 0.207
94 H TRP 11 H TRP 11 -14.970 4.539 1.290
95 HA TRP 11 HA TRP 11 -12.470 5.208 0.755
96 HA TRP 11 HA TRP 11 -12.333 5.722 0.959
97 HB2 TRP 11 HB2 TRP 11 -13.813 2.666 1.613
98 HB2 TRP 11 HB2 TRP 11 -13.170 2.831 1.280
99 HB3 TRP 11 HB3 TRP 11 -12.126 2.642 1.105
100 HB3 TRP 11 HB3 TRP 11 -11.508 3.414 1.249
101 HD1 TRP 11 HD1 TRP 11 -14.286 3.349 4.055
102 HD1 TRP 11 HD1 TRP 11 -14.660 3.519 3.456
103 HE1 TRP 11 HE1 TRP 11 -12.862 4.254 5.999
104 HE1 TRP 11 HE1 TRP 11 -13.941 4.051 5.868
105 HE3 TRP 11 HE3 TRP 11 -9.943 4.264 1.519
106 HE3 TRP 11 HE3 TRP 11 -9.697 4.440 2.638
107 HZ2 TRP 11 HZ2 TRP 11 -10.243 5.228 6.402
108 HZ2 TRP 11 HZ2 TRP 11 -11.583 4.768 7.244
109 HZ3 TRP 11 HZ3 TRP 11 -8.024 5.183 2.758
110 HZ3 TRP 11 HZ3 TRP 11 -8.279 5.043 4.556
111 HH2 TRP 11 HH2 TRP 11 -8.173 5.656 5.148
112 HH2 TRP 11 HH2 TRP 11 -9.205 5.203 6.810
113 H GLU 12 H GLU 12 -11.436 5.154 -1.124
114 H GLU 12 H GLU 12 -10.979 5.373 -0.794
115 HA GLU 12 HA GLU 12 -12.467 3.382 -3.241
116 HA GLU 12 HA GLU 12 -12.156 4.042 -3.135
117 HB2 GLU 12 HB2 GLU 12 -12.038 5.022 -4.883
118 HB2 GLU 12 HB2 GLU 12 -12.486 6.494 -3.326
119 HB3 GLU 12 HB3 GLU 12 -12.840 5.876 -3.574
120 HB3 GLU 12 HB3 GLU 12 -10.747 6.718 -3.202
121 HG2 GLU 12 HG2 GLU 12 -11.164 7.307 -3.488
122 HG2 GLU 12 HG2 GLU 12 -11.874 6.722 -5.526
123 HG3 GLU 12 HG3 GLU 12 -10.066 5.995 -3.068
124 HG3 GLU 12 HG3 GLU 12 -10.348 5.870 -5.302
125 H LYS 13 H LYS 13 -10.888 2.617 -4.783
126 H LYS 13 H LYS 13 -10.757 2.884 -4.366
127 HA LYS 13 HA LYS 13 -8.342 2.051 -3.498
128 HA LYS 13 HA LYS 13 -8.118 2.425 -3.266
129 HB2 LYS 13 HB2 LYS 13 -9.990 0.443 -4.873
130 HB2 LYS 13 HB2 LYS 13 -9.370 0.484 -3.924
131 HB3 LYS 13 HB3 LYS 13 -8.964 0.980 -6.197
132 HB3 LYS 13 HB3 LYS 13 -9.645 1.140 -5.535
133 HG2 LYS 13 HG2 LYS 13 -6.994 0.176 -5.030
134 HG2 LYS 13 HG2 LYS 13 -7.207 1.006 -5.952
135 HG3 LYS 13 HG3 LYS 13 -7.988 -0.308 -3.655
136 HG3 LYS 13 HG3 LYS 13 -7.019 0.223 -4.380
137 HD2 LYS 13 HD2 LYS 13 -9.286 -1.682 -5.474
138 HD2 LYS 13 HD2 LYS 13 -8.948 -0.881 -6.382
139 HD3 LYS 13 HD3 LYS 13 -7.772 -1.529 -6.370
140 HD3 LYS 13 HD3 LYS 13 -7.223 -1.225 -6.537
141 HE2 LYS 13 HE2 LYS 13 -6.573 -2.481 -4.429
142 HE2 LYS 13 HE2 LYS 13 -8.352 -1.599 -3.843
143 HE3 LYS 13 HE3 LYS 13 -8.119 -2.703 -3.611
144 HE3 LYS 13 HE3 LYS 13 -8.953 -2.709 -5.075
145 HZ1 LYS 13 HZ1 LYS 13 -7.157 -4.048 -6.068
146 HZ1 LYS 13 HZ1 LYS 13 -7.112 -3.874 -4.755
147 HZ2 LYS 13 HZ2 LYS 13 -8.777 -4.090 -5.582
148 HZ2 LYS 13 HZ2 LYS 13 -6.434 -2.681 -3.765
149 HZ3 LYS 13 HZ3 LYS 13 -7.579 -4.758 -4.591
150 HZ3 LYS 13 HZ3 LYS 13 -6.230 -2.604 -5.443
151 H ARG 14 H ARG 14 -6.475 2.990 -4.019
152 H ARG 14 H ARG 14 -6.303 3.333 -3.968
153 HA ARG 14 HA ARG 14 -6.305 4.450 -6.571
154 HA ARG 14 HA ARG 14 -6.294 4.550 -6.651
155 HB2 ARG 14 HB2 ARG 14 -6.003 5.449 -3.850
156 HB2 ARG 14 HB2 ARG 14 -4.822 5.545 -4.205
157 HB3 ARG 14 HB3 ARG 14 -4.595 5.789 -4.846
158 HB3 ARG 14 HB3 ARG 14 -4.823 6.295 -5.797
159 HG2 ARG 14 HG2 ARG 14 -6.435 6.587 -6.560
160 HG2 ARG 14 HG2 ARG 14 -7.418 5.882 -4.395
161 HG3 ARG 14 HG3 ARG 14 -7.375 6.794 -5.080
162 HG3 ARG 14 HG3 ARG 14 -6.359 7.197 -3.884
163 HD2 ARG 14 HD2 ARG 14 -6.139 8.544 -4.389
164 HD2 ARG 14 HD2 ARG 14 -7.424 6.739 -6.668
165 HD3 ARG 14 HD3 ARG 14 -4.631 7.835 -4.964
166 HD3 ARG 14 HD3 ARG 14 -7.968 7.974 -5.535
167 HE ARG 14 HE ARG 14 -5.912 8.548 -7.246
168 HE ARG 14 HE ARG 14 -5.186 8.209 -5.989
169 HH11 ARG 14 HH11 ARG 14 -5.058 10.238 -4.325
170 HH11 ARG 14 HH11 ARG 14 -8.267 8.793 -7.501
171 HH12 ARG 14 HH12 ARG 14 -4.885 11.773 -5.109
172 HH12 ARG 14 HH12 ARG 14 -7.682 10.088 -8.492
173 HH21 ARG 14 HH21 ARG 14 -5.690 10.564 -8.289
174 HH21 ARG 14 HH21 ARG 14 -4.404 9.914 -7.288
175 HH22 ARG 14 HH22 ARG 14 -5.246 11.959 -7.364
176 HH22 ARG 14 HH22 ARG 14 -5.484 10.724 -8.370
177 H MET 15 H MET 15 -4.079 4.807 -7.324
178 H MET 15 H MET 15 -4.003 4.892 -7.477
179 HA MET 15 HA MET 15 -2.295 2.625 -6.465
180 HA MET 15 HA MET 15 -2.212 2.729 -6.617
181 HB2 MET 15 HB2 MET 15 -3.362 3.209 -9.028
182 HB2 MET 15 HB2 MET 15 -3.523 2.011 -8.612
183 HB3 MET 15 HB3 MET 15 -1.641 3.556 -9.092
184 HB3 MET 15 HB3 MET 15 -2.848 3.368 -9.503
185 HG2 MET 15 HG2 MET 15 -1.258 1.272 -8.106
186 HG2 MET 15 HG2 MET 15 -1.174 2.058 -10.103
187 HG3 MET 15 HG3 MET 15 -2.972 0.962 -8.381
188 HG3 MET 15 HG3 MET 15 -0.651 2.038 -8.420
189 HE1 MET 15 HE1 MET 15 0.283 -0.039 -11.000
190 HE1 MET 15 HE1 MET 15 0.497 -0.494 -9.223
191 HE2 MET 15 HE2 MET 15 0.091 0.108 -9.254
192 HE2 MET 15 HE2 MET 15 -0.526 -1.674 -10.041
193 HE3 MET 15 HE3 MET 15 -0.819 -1.116 -10.139
194 HE3 MET 15 HE3 MET 15 -0.228 -0.100 -10.781
195 H SER 16 H SER 16 0.011 3.264 -7.679
196 H SER 16 H SER 16 -0.246 3.470 -6.201
197 HA SER 16 HA SER 16 0.655 6.000 -6.815
198 HA SER 16 HA SER 16 0.522 6.136 -6.569
199 HB2 SER 16 HB2 SER 16 1.648 3.484 -5.707
200 HB2 SER 16 HB2 SER 16 1.493 4.088 -5.095
201 HB3 SER 16 HB3 SER 16 2.947 4.558 -6.230
202 HB3 SER 16 HB3 SER 16 2.696 4.128 -6.387
203 HG SER 16 HG SER 16 1.644 6.212 -5.003
204 HG SER 16 HG SER 16 2.791 5.595 -4.337
205 H ARG 17 H ARG 17 1.913 7.115 -8.185
206 H ARG 17 H ARG 17 2.982 6.325 -7.603
207 HA ARG 17 HA ARG 17 3.063 5.648 -10.466
208 HA ARG 17 HA ARG 17 2.911 5.232 -10.316
209 HB2 ARG 17 HB2 ARG 17 2.814 7.690 -11.765
210 HB2 ARG 17 HB2 ARG 17 3.395 8.170 -9.863
211 HB3 ARG 17 HB3 ARG 17 1.270 7.228 -11.063
212 HB3 ARG 17 HB3 ARG 17 3.114 7.336 -11.384
213 HG2 ARG 17 HG2 ARG 17 1.766 8.877 -9.211
214 HG2 ARG 17 HG2 ARG 17 0.809 6.947 -10.796
215 HG3 ARG 17 HG3 ARG 17 3.099 9.454 -10.217
216 HG3 ARG 17 HG3 ARG 17 1.069 7.650 -9.197
217 HD2 ARG 17 HD2 ARG 17 0.845 9.311 -11.890
218 HD2 ARG 17 HD2 ARG 17 -0.026 9.188 -10.826
219 HD3 ARG 17 HD3 ARG 17 0.297 10.052 -10.387
220 HD3 ARG 17 HD3 ARG 17 1.477 9.810 -10.144
221 HE ARG 17 HE ARG 17 1.544 11.911 -10.887
222 HE ARG 17 HE ARG 17 1.982 8.466 -12.581
223 HH11 ARG 17 HH11 ARG 17 2.513 9.283 -12.952
224 HH11 ARG 17 HH11 ARG 17 0.637 11.413 -11.305
225 HH12 ARG 17 HH12 ARG 17 3.515 10.274 -13.962
226 HH12 ARG 17 HH12 ARG 17 1.000 12.344 -12.720
227 HH21 ARG 17 HH21 ARG 17 2.858 13.226 -12.207
228 HH21 ARG 17 HH21 ARG 17 2.467 9.682 -14.448
229 HH22 ARG 17 HH22 ARG 17 3.710 12.516 -13.535
230 HH22 ARG 17 HH22 ARG 17 2.040 11.359 -14.507
231 H ASN 18 H ASN 18 4.514 5.765 -8.106
232 H ASN 18 H ASN 18 4.676 7.079 -7.874
233 HA ASN 18 HA ASN 18 6.814 7.336 -8.986
234 HA ASN 18 HA ASN 18 7.214 6.405 -9.164
235 HB2 ASN 18 HB2 ASN 18 5.706 8.781 -7.360
236 HB2 ASN 18 HB2 ASN 18 6.717 8.748 -8.337
237 HB3 ASN 18 HB3 ASN 18 5.675 7.468 -6.184
238 HB3 ASN 18 HB3 ASN 18 6.804 8.105 -6.700
239 HD21 ASN 18 HD21 ASN 18 8.056 9.052 -8.292
240 HD21 ASN 18 HD21 ASN 18 8.493 9.957 -6.928
241 HD22 ASN 18 HD22 ASN 18 9.278 9.200 -7.081
242 HD22 ASN 18 HD22 ASN 18 10.104 9.424 -7.255
243 H SER 19 H SER 19 5.729 5.224 -6.321
244 H SER 19 H SER 19 5.529 4.410 -7.795
245 HA SER 19 HA SER 19 8.289 3.798 -6.493
246 HA SER 19 HA SER 19 7.613 3.232 -6.176
247 HB2 SER 19 HB2 SER 19 8.014 3.161 -4.266
248 HB2 SER 19 HB2 SER 19 6.093 2.819 -4.240
249 HB3 SER 19 HB3 SER 19 7.295 4.771 -4.286
250 HB3 SER 19 HB3 SER 19 6.473 4.525 -4.472
251 HG SER 19 HG SER 19 6.069 2.269 -4.072
252 HG SER 19 HG SER 19 4.460 4.895 -5.192
253 H GLY 20 H GLY 20 4.809 3.348 -6.698
254 H GLY 20 H GLY 20 4.094 2.796 -6.607
255 HA2 GLY 20 HA2 GLY 20 3.850 1.709 -8.137
256 HA2 GLY 20 HA2 GLY 20 3.218 1.123 -8.121
257 HA3 GLY 20 HA3 GLY 20 5.297 0.730 -7.937
258 HA3 GLY 20 HA3 GLY 20 4.672 0.178 -7.835
259 H ARG 21 H ARG 21 2.138 1.385 -6.808
260 H ARG 21 H ARG 21 2.808 1.773 -5.319
261 HA ARG 21 HA ARG 21 1.854 -0.998 -5.423
262 HA ARG 21 HA ARG 21 1.995 -0.887 -4.338
263 HB2 ARG 21 HB2 ARG 21 3.305 0.913 -3.909
264 HB2 ARG 21 HB2 ARG 21 3.243 1.424 -2.951
265 HB3 ARG 21 HB3 ARG 21 1.709 0.778 -3.184
266 HB3 ARG 21 HB3 ARG 21 2.003 0.543 -2.069
267 HG2 ARG 21 HG2 ARG 21 2.054 -1.343 -2.479
268 HG2 ARG 21 HG2 ARG 21 3.284 -1.310 -1.839
269 HG3 ARG 21 HG3 ARG 21 3.070 -1.753 -3.863
270 HG3 ARG 21 HG3 ARG 21 4.112 -1.063 -3.377
271 HD2 ARG 21 HD2 ARG 21 4.312 -1.706 -1.725
272 HD2 ARG 21 HD2 ARG 21 5.509 -0.765 -1.285
273 HD3 ARG 21 HD3 ARG 21 4.931 -0.557 -2.910
274 HD3 ARG 21 HD3 ARG 21 5.556 0.553 -2.453
275 HE ARG 21 HE ARG 21 3.221 0.948 -1.477
276 HE ARG 21 HE ARG 21 4.591 1.920 -0.892
277 HH11 ARG 21 HH11 ARG 21 5.795 -1.209 -0.558
278 HH11 ARG 21 HH11 ARG 21 4.185 -1.394 0.089
279 HH12 ARG 21 HH12 ARG 21 6.184 -0.338 0.888
280 HH12 ARG 21 HH12 ARG 21 3.545 -0.992 1.647
281 HH21 ARG 21 HH21 ARG 21 3.724 2.101 0.424
282 HH21 ARG 21 HH21 ARG 21 3.748 2.465 1.156
283 HH22 ARG 21 HH22 ARG 21 5.003 1.545 1.447
284 HH22 ARG 21 HH22 ARG 21 3.297 1.204 2.253
285 H VAL 22 H VAL 22 0.029 -0.428 -3.471
286 H VAL 22 H VAL 22 -0.112 -1.191 -3.970
287 HA VAL 22 HA VAL 22 -1.924 1.425 -4.595
288 HA VAL 22 HA VAL 22 -1.969 0.922 -4.586
289 HB VAL 22 HB VAL 22 -3.696 -0.426 -4.288
290 HB VAL 22 HB VAL 22 -2.454 -1.925 -3.701
291 HG11 VAL 22 HG11 VAL 22 -3.176 -1.313 -6.622
292 HG11 VAL 22 HG11 VAL 22 -4.761 -1.568 -4.457
293 HG12 VAL 22 HG12 VAL 22 -3.355 0.435 -6.445
294 HG12 VAL 22 HG12 VAL 22 -4.341 -0.502 -3.114
295 HG13 VAL 22 HG13 VAL 22 -1.746 -0.281 -6.567
296 HG13 VAL 22 HG13 VAL 22 -4.394 0.129 -4.760
297 HG21 VAL 22 HG21 VAL 22 -1.342 -2.213 -4.840
298 HG21 VAL 22 HG21 VAL 22 -1.498 -0.977 -6.113
299 HG22 VAL 22 HG22 VAL 22 -2.011 -1.986 -3.225
300 HG22 VAL 22 HG22 VAL 22 -2.257 -2.543 -5.837
301 HG23 VAL 22 HG23 VAL 22 -3.008 -2.681 -4.503
302 HG23 VAL 22 HG23 VAL 22 -3.225 -1.183 -6.403
303 H TYR 23 H TYR 23 -3.765 1.789 -3.155
304 H TYR 23 H TYR 23 -3.386 1.939 -3.219
305 HA TYR 23 HA TYR 23 -3.758 0.782 -0.489
306 HA TYR 23 HA TYR 23 -3.416 1.223 -0.396
307 HB2 TYR 23 HB2 TYR 23 -3.328 3.094 0.537
308 HB2 TYR 23 HB2 TYR 23 -2.871 3.483 0.347
309 HB3 TYR 23 HB3 TYR 23 -1.929 2.191 -0.034
310 HB3 TYR 23 HB3 TYR 23 -1.550 2.819 -0.609
311 HD1 TYR 23 HD1 TYR 23 -3.952 5.173 -0.459
312 HD1 TYR 23 HD1 TYR 23 -4.171 5.357 -0.452
313 HD2 TYR 23 HD2 TYR 23 -0.812 2.849 -2.147
314 HD2 TYR 23 HD2 TYR 23 -1.067 3.695 -2.841
315 HE1 TYR 23 HE1 TYR 23 -3.303 7.082 -1.866
316 HE1 TYR 23 HE1 TYR 23 -4.245 7.334 -1.913
317 HE2 TYR 23 HE2 TYR 23 -0.154 4.754 -3.557
318 HE2 TYR 23 HE2 TYR 23 -1.132 5.667 -4.308
319 HH TYR 23 HH TYR 23 -1.445 7.916 -3.096
320 HH TYR 23 HH TYR 23 -1.850 8.100 -4.093
321 H TYR 24 H TYR 24 -5.147 2.548 0.902
322 H TYR 24 H TYR 24 -4.937 2.850 0.794
323 HA TYR 24 HA TYR 24 -7.518 3.068 -0.767
324 HA TYR 24 HA TYR 24 -7.237 3.411 -0.961
325 HB2 TYR 24 HB2 TYR 24 -7.538 2.736 2.229
326 HB2 TYR 24 HB2 TYR 24 -7.486 2.573 1.922
327 HB3 TYR 24 HB3 TYR 24 -8.892 2.623 1.110
328 HB3 TYR 24 HB3 TYR 24 -8.744 2.626 0.692
329 HD1 TYR 24 HD1 TYR 24 -9.361 0.588 -0.068
330 HD1 TYR 24 HD1 TYR 24 -8.411 1.026 -1.344
331 HD2 TYR 24 HD2 TYR 24 -5.905 0.898 2.394
332 HD2 TYR 24 HD2 TYR 24 -6.440 0.558 2.398
333 HE1 TYR 24 HE1 TYR 24 -9.062 -1.851 -0.192
334 HE1 TYR 24 HE1 TYR 24 -8.013 -1.346 -1.856
335 HE2 TYR 24 HE2 TYR 24 -5.595 -1.540 2.276
336 HE2 TYR 24 HE2 TYR 24 -6.035 -1.816 1.894
337 HH TYR 24 HH TYR 24 -6.301 -3.445 1.370
338 HH TYR 24 HH TYR 24 -5.920 -3.148 -0.721
339 H PHE 25 H PHE 25 -8.660 4.992 -0.519
340 H PHE 25 H PHE 25 -8.290 5.321 -0.688
341 HA PHE 25 HA PHE 25 -7.386 7.070 1.124
342 HA PHE 25 HA PHE 25 -7.418 7.065 1.512
343 HB2 PHE 25 HB2 PHE 25 -6.583 7.469 -1.109
344 HB2 PHE 25 HB2 PHE 25 -6.159 7.847 -0.357
345 HB3 PHE 25 HB3 PHE 25 -8.202 7.299 -1.776
346 HB3 PHE 25 HB3 PHE 25 -7.556 7.752 -1.424
347 HD1 PHE 25 HD1 PHE 25 -9.728 9.113 -1.792
348 HD1 PHE 25 HD1 PHE 25 -8.989 9.580 -1.694
349 HD2 PHE 25 HD2 PHE 25 -6.005 9.455 0.244
350 HD2 PHE 25 HD2 PHE 25 -6.170 9.562 1.495
351 HE1 PHE 25 HE1 PHE 25 -10.076 11.538 -1.571
352 HE1 PHE 25 HE1 PHE 25 -9.506 11.938 -1.228
353 HE2 PHE 25 HE2 PHE 25 -6.346 11.880 0.468
354 HE2 PHE 25 HE2 PHE 25 -6.683 11.921 1.966
355 HZ PHE 25 HZ PHE 25 -8.384 12.925 -0.438
356 HZ PHE 25 HZ PHE 25 -8.354 13.112 0.606
357 H ASN 26 H ASN 26 -8.780 8.119 2.378
358 H ASN 26 H ASN 26 -8.949 8.517 2.283
359 HA ASN 26 HA ASN 26 -11.640 7.715 1.933
360 HA ASN 26 HA ASN 26 -11.698 7.983 1.385
361 HB2 ASN 26 HB2 ASN 26 -10.680 7.200 4.164
362 HB2 ASN 26 HB2 ASN 26 -10.973 7.480 3.797
363 HB3 ASN 26 HB3 ASN 26 -10.215 8.888 4.333
364 HB3 ASN 26 HB3 ASN 26 -10.930 9.226 4.022
365 HD21 ASN 26 HD21 ASN 26 -12.686 6.595 4.688
366 HD21 ASN 26 HD21 ASN 26 -12.627 7.219 5.275
367 HD22 ASN 26 HD22 ASN 26 -13.945 7.673 5.176
368 HD22 ASN 26 HD22 ASN 26 -14.255 7.688 4.935
369 H HIS 27 H HIS 27 -12.669 9.208 0.789
370 H HIS 27 H HIS 27 -12.800 9.551 0.417
371 HA HIS 27 HA HIS 27 -11.667 11.948 0.724
372 HA HIS 27 HA HIS 27 -11.623 12.163 0.105
373 HB2 HIS 27 HB2 HIS 27 -13.054 12.271 -1.193
374 HB2 HIS 27 HB2 HIS 27 -13.669 12.589 -1.302
375 HB3 HIS 27 HB3 HIS 27 -12.280 10.700 -1.381
376 HB3 HIS 27 HB3 HIS 27 -12.675 11.234 -1.831
377 HD1 HIS 27 HD1 HIS 27 -14.941 11.476 -2.818
378 HD1 HIS 27 HD1 HIS 27 -15.984 12.017 -0.240
379 HD2 HIS 27 HD2 HIS 27 -14.679 9.327 0.727
380 HD2 HIS 27 HD2 HIS 27 -13.909 8.747 -1.744
381 HE1 HIS 27 HE1 HIS 27 -17.085 10.169 -2.664
382 HE1 HIS 27 HE1 HIS 27 -17.665 10.150 -0.358
383 H ILE 28 H ILE 28 -12.864 11.037 3.151
384 H ILE 28 H ILE 28 -13.876 10.702 2.214
385 HA ILE 28 HA ILE 28 -15.209 12.816 3.239
386 HA ILE 28 HA ILE 28 -15.261 13.155 2.881
387 HB ILE 28 HB ILE 28 -14.852 10.263 4.811
388 HB ILE 28 HB ILE 28 -15.363 10.417 4.154
389 HG12 ILE 28 HG12 ILE 28 -15.440 9.848 2.470
390 HG12 ILE 28 HG12 ILE 28 -17.266 11.865 2.298
391 HG13 ILE 28 HG13 ILE 28 -16.794 9.464 3.527
392 HG13 ILE 28 HG13 ILE 28 -16.284 10.461 1.895
393 HG21 ILE 28 HG21 ILE 28 -17.494 11.324 4.918
394 HG21 ILE 28 HG21 ILE 28 -17.059 12.856 4.677
395 HG22 ILE 28 HG22 ILE 28 -16.364 11.033 6.238
396 HG22 ILE 28 HG22 ILE 28 -17.354 11.245 5.331
397 HG23 ILE 28 HG23 ILE 28 -16.354 12.582 5.394
398 HG23 ILE 28 HG23 ILE 28 -15.900 12.130 5.789
399 HD11 ILE 28 HD11 ILE 28 -17.931 10.620 1.968
400 HD11 ILE 28 HD11 ILE 28 -18.544 9.770 2.270
401 HD12 ILE 28 HD12 ILE 28 -17.403 11.998 2.934
402 HD12 ILE 28 HD12 ILE 28 -17.537 9.162 3.584
403 HD13 ILE 28 HD13 ILE 28 -16.522 11.554 1.472
404 HD13 ILE 28 HD13 ILE 28 -18.571 10.565 3.844
405 H THR 29 H THR 29 -12.475 11.430 4.987
406 H THR 29 H THR 29 -12.978 10.948 4.480
407 HA THR 29 HA THR 29 -12.548 13.761 6.791
408 HA THR 29 HA THR 29 -12.615 12.840 6.664
409 HB THR 29 HB THR 29 -11.134 11.530 7.961
410 HB THR 29 HB THR 29 -10.833 10.942 7.264
411 HG1 THR 29 HG1 THR 29 -12.482 10.046 7.188
412 HG1 THR 29 HG1 THR 29 -11.448 8.963 6.452
413 HG21 THR 29 HG21 THR 29 -11.820 13.288 9.361
414 HG21 THR 29 HG21 THR 29 -12.890 11.656 8.529
415 HG22 THR 29 HG22 THR 29 -12.907 11.957 9.757
416 HG22 THR 29 HG22 THR 29 -12.479 9.948 8.676
417 HG23 THR 29 HG23 THR 29 -13.462 13.270 8.721
418 HG23 THR 29 HG23 THR 29 -13.789 10.452 7.607
419 H ASN 30 H ASN 30 -11.114 13.302 4.238
420 H ASN 30 H ASN 30 -11.140 11.990 3.693
421 HA ASN 30 HA ASN 30 -9.031 13.495 3.323
422 HA ASN 30 HA ASN 30 -9.296 12.760 2.604
423 HB2 ASN 30 HB2 ASN 30 -8.928 15.195 5.795
424 HB2 ASN 30 HB2 ASN 30 -10.216 14.945 3.673
425 HB3 ASN 30 HB3 ASN 30 -7.503 15.038 4.772
426 HB3 ASN 30 HB3 ASN 30 -8.856 14.785 4.781
427 HD21 ASN 30 HD21 ASN 30 -7.721 15.640 2.523
428 HD21 ASN 30 HD21 ASN 30 -6.725 14.308 3.598
429 HD22 ASN 30 HD22 ASN 30 -8.836 16.883 2.084
430 HD22 ASN 30 HD22 ASN 30 -6.402 15.300 2.222
431 H ALA 31 H ALA 31 -9.428 11.114 4.858
432 H ALA 31 H ALA 31 -8.647 10.564 3.705
433 HA ALA 31 HA ALA 31 -6.824 10.687 6.138
434 HA ALA 31 HA ALA 31 -5.956 10.966 4.702
435 HB1 ALA 31 HB1 ALA 31 -8.201 8.356 6.487
436 HB1 ALA 31 HB1 ALA 31 -6.165 9.743 6.709
437 HB2 ALA 31 HB2 ALA 31 -8.166 9.698 7.632
438 HB2 ALA 31 HB2 ALA 31 -7.492 10.905 6.715
439 HB3 ALA 31 HB3 ALA 31 -9.497 9.553 6.484
440 HB3 ALA 31 HB3 ALA 31 -7.799 9.218 6.309
441 H SER 32 H SER 32 -5.666 8.678 5.670
442 H SER 32 H SER 32 -4.692 8.973 4.706
443 HA SER 32 HA SER 32 -6.252 7.196 3.297
444 HA SER 32 HA SER 32 -5.816 6.939 2.893
445 HB2 SER 32 HB2 SER 32 -5.151 9.545 2.660
446 HB2 SER 32 HB2 SER 32 -3.960 8.538 2.010
447 HB3 SER 32 HB3 SER 32 -3.671 8.660 3.026
448 HB3 SER 32 HB3 SER 32 -2.876 7.561 3.000
449 HG SER 32 HG SER 32 -4.500 7.023 1.541
450 HG SER 32 HG SER 32 -3.333 5.803 1.776
451 H GLN 33 H GLN 33 -6.005 5.457 4.721
452 H GLN 33 H GLN 33 -5.116 4.780 3.186
453 HA GLN 33 HA GLN 33 -3.307 5.018 5.793
454 HA GLN 33 HA GLN 33 -3.491 4.126 5.492
455 HB2 GLN 33 HB2 GLN 33 -4.407 3.219 7.150
456 HB2 GLN 33 HB2 GLN 33 -5.791 4.451 6.405
457 HB3 GLN 33 HB3 GLN 33 -4.983 4.845 7.491
458 HB3 GLN 33 HB3 GLN 33 -6.352 3.164 5.345
459 HG2 GLN 33 HG2 GLN 33 -6.978 4.464 6.208
460 HG2 GLN 33 HG2 GLN 33 -4.993 1.551 6.476
461 HG3 GLN 33 HG3 GLN 33 -6.386 2.887 5.690
462 HG3 GLN 33 HG3 GLN 33 -4.227 2.813 7.442
463 HE21 GLN 33 HE21 GLN 33 -7.535 1.371 6.641
464 HE21 GLN 33 HE21 GLN 33 -6.736 0.583 7.263
465 HE22 GLN 33 HE22 GLN 33 -7.994 1.334 8.306
466 HE22 GLN 33 HE22 GLN 33 -7.640 1.105 8.639
467 H PHE 34 H PHE 34 -2.410 2.838 5.651
468 H PHE 34 H PHE 34 -2.357 2.319 5.146
469 HA PHE 34 HA PHE 34 -2.740 1.780 2.984
470 HA PHE 34 HA PHE 34 -2.714 0.909 2.661
471 HB2 PHE 34 HB2 PHE 34 -0.825 1.280 5.239
472 HB2 PHE 34 HB2 PHE 34 -0.761 0.319 4.892
473 HB3 PHE 34 HB3 PHE 34 -0.910 0.154 3.888
474 HB3 PHE 34 HB3 PHE 34 -0.660 -0.240 3.225
475 HD1 PHE 34 HD1 PHE 34 0.551 3.123 5.106
476 HD1 PHE 34 HD1 PHE 34 0.766 1.930 5.421
477 HD2 PHE 34 HD2 PHE 34 -0.687 1.192 1.523
478 HD2 PHE 34 HD2 PHE 34 -0.926 1.908 1.516
479 HE1 PHE 34 HE1 PHE 34 2.052 4.580 3.809
480 HE1 PHE 34 HE1 PHE 34 2.091 3.920 4.840
481 HE2 PHE 34 HE2 PHE 34 0.811 2.645 0.217
482 HE2 PHE 34 HE2 PHE 34 0.397 3.897 0.927
483 HZ PHE 34 HZ PHE 34 2.184 4.340 1.361
484 HZ PHE 34 HZ PHE 34 1.908 4.906 2.589
485 H GLU 35 H GLU 35 -3.559 0.870 6.257
486 H GLU 35 H GLU 35 -3.277 0.297 6.066
487 HA GLU 35 HA GLU 35 -4.194 -1.850 5.681
488 HA GLU 35 HA GLU 35 -3.814 -2.497 5.739
489 HB2 GLU 35 HB2 GLU 35 -3.772 -0.517 7.972
490 HB2 GLU 35 HB2 GLU 35 -4.679 -0.744 8.039
491 HB3 GLU 35 HB3 GLU 35 -5.530 -0.477 7.948
492 HB3 GLU 35 HB3 GLU 35 -4.437 -2.486 8.048
493 HG2 GLU 35 HG2 GLU 35 -5.730 -2.729 8.230
494 HG2 GLU 35 HG2 GLU 35 -1.983 -1.662 7.299
495 HG3 GLU 35 HG3 GLU 35 -4.185 -3.075 7.454
496 HG3 GLU 35 HG3 GLU 35 -2.488 -0.302 8.298
497 H ARG 36 H ARG 36 -6.158 -2.807 5.273
498 H ARG 36 H ARG 36 -5.679 -3.487 5.262
499 HA ARG 36 HA ARG 36 -8.035 -1.364 3.770
500 HA ARG 36 HA ARG 36 -7.800 -2.203 4.055
501 HB2 ARG 36 HB2 ARG 36 -7.729 -3.756 3.473
502 HB2 ARG 36 HB2 ARG 36 -7.376 -4.612 3.852
503 HB3 ARG 36 HB3 ARG 36 -8.287 -4.060 5.113
504 HB3 ARG 36 HB3 ARG 36 -7.854 -4.842 5.528
505 HG2 ARG 36 HG2 ARG 36 -10.495 -3.121 4.478
506 HG2 ARG 36 HG2 ARG 36 -10.084 -3.728 4.728
507 HG3 ARG 36 HG3 ARG 36 -9.914 -2.995 2.816
508 HG3 ARG 36 HG3 ARG 36 -9.531 -4.264 3.140
509 HD2 ARG 36 HD2 ARG 36 -10.252 -5.168 2.438
510 HD2 ARG 36 HD2 ARG 36 -10.137 -6.358 3.576
511 HD3 ARG 36 HD3 ARG 36 -9.446 -5.628 3.936
512 HD3 ARG 36 HD3 ARG 36 -9.195 -6.367 5.066
513 HE ARG 36 HE ARG 36 -12.280 -5.330 3.506
514 HE ARG 36 HE ARG 36 -11.723 -5.009 5.284
515 HH11 ARG 36 HH11 ARG 36 -9.709 -5.404 5.854
516 HH11 ARG 36 HH11 ARG 36 -10.073 -8.065 5.504
517 HH12 ARG 36 HH12 ARG 36 -10.747 -5.845 7.169
518 HH12 ARG 36 HH12 ARG 36 -11.257 -8.776 6.552
519 HH21 ARG 36 HH21 ARG 36 -13.656 -5.910 5.230
520 HH21 ARG 36 HH21 ARG 36 -13.288 -5.931 6.662
521 HH22 ARG 36 HH22 ARG 36 -12.993 -6.135 6.812
522 HH22 ARG 36 HH22 ARG 36 -13.084 -7.562 7.210
523 HA PRO 37 HA PRO 37 -10.500 0.503 6.925
524 HA PRO 37 HA PRO 37 -9.599 -0.313 7.716
525 HB2 PRO 37 HB2 PRO 37 -12.644 1.138 5.386
526 HB2 PRO 37 HB2 PRO 37 -11.350 1.234 6.336
527 HB3 PRO 37 HB3 PRO 37 -11.115 2.024 5.316
528 HB3 PRO 37 HB3 PRO 37 -9.643 1.651 6.527
529 HG2 PRO 37 HG2 PRO 37 -12.147 -0.119 3.499
530 HG2 PRO 37 HG2 PRO 37 -11.031 0.368 4.205
531 HG3 PRO 37 HG3 PRO 37 -11.320 1.396 3.088
532 HG3 PRO 37 HG3 PRO 37 -9.802 1.646 4.207
533 HD2 PRO 37 HD2 PRO 37 -10.045 -0.992 3.135
534 HD2 PRO 37 HD2 PRO 37 -9.210 -0.945 3.685
535 HD3 PRO 37 HD3 PRO 37 -9.235 0.533 3.553
536 HD3 PRO 37 HD3 PRO 37 -8.069 0.153 4.489
537 H SER 38 H SER 38 -11.855 -0.301 8.408
538 H SER 38 H SER 38 -11.805 -0.160 8.579
539 HA SER 38 HA SER 38 -13.011 -2.876 8.088
540 HA SER 38 HA SER 38 -13.694 -2.060 7.375
541 HB2 SER 38 HB2 SER 38 -14.058 -2.363 10.339
542 HB2 SER 38 HB2 SER 38 -12.481 -3.254 9.148
543 HB3 SER 38 HB3 SER 38 -12.299 -2.240 10.282
544 HB3 SER 38 HB3 SER 38 -12.917 -1.995 10.302
545 HG SER 38 HG SER 38 -12.856 -0.386 11.229
546 HG SER 38 HG SER 38 -14.388 -3.635 10.532
547 H GLY 39 H GLY 39 -14.517 0.324 8.590
548 H GLY 39 H GLY 39 -15.883 -1.915 8.537
549 HA2 GLY 39 HA2 GLY 39 -16.406 1.160 7.477
550 HA2 GLY 39 HA2 GLY 39 -16.661 0.318 10.016
551 HA3 GLY 39 HA3 GLY 39 -16.690 -0.440 6.807
552 HA3 GLY 39 HA3 GLY 39 -16.819 0.742 8.318
Start of MODEL 18
1 H1 SER 5 H SER 5 -11.855 -7.557 -4.106
2 H1 SER 5 H SER 5 -13.678 -6.887 -5.288
3 HA SER 5 HA SER 5 -11.475 -5.413 -3.359
4 HA SER 5 HA SER 5 -12.488 -4.841 -3.728
5 HB2 SER 5 HB2 SER 5 -12.448 -3.556 -5.057
6 HB2 SER 5 HB2 SER 5 -14.013 -4.902 -6.312
7 HB3 SER 5 HB3 SER 5 -10.847 -4.277 -5.233
8 HB3 SER 5 HB3 SER 5 -13.641 -3.357 -5.549
9 HG SER 5 HG SER 5 -13.201 -4.773 -6.676
10 HG SER 5 HG SER 5 -11.916 -5.265 -6.657
11 H LYS 6 H LYS 6 -12.799 -5.257 -1.662
12 H LYS 6 H LYS 6 -14.580 -6.116 -2.289
13 HA LYS 6 HA LYS 6 -15.527 -4.292 -2.138
14 HA LYS 6 HA LYS 6 -16.841 -4.313 -2.253
15 HB2 LYS 6 HB2 LYS 6 -14.712 -6.770 -0.721
16 HB2 LYS 6 HB2 LYS 6 -16.223 -6.460 -0.230
17 HB3 LYS 6 HB3 LYS 6 -15.985 -5.814 0.027
18 HB3 LYS 6 HB3 LYS 6 -17.789 -5.765 -0.627
19 HG2 LYS 6 HG2 LYS 6 -17.338 -5.975 -1.963
20 HG2 LYS 6 HG2 LYS 6 -17.769 -6.838 -2.783
21 HG3 LYS 6 HG3 LYS 6 -16.039 -6.821 -2.812
22 HG3 LYS 6 HG3 LYS 6 -16.134 -7.443 -2.502
23 HD2 LYS 6 HD2 LYS 6 -16.653 -8.134 -0.320
24 HD2 LYS 6 HD2 LYS 6 -18.558 -8.153 -0.849
25 HD3 LYS 6 HD3 LYS 6 -18.108 -7.955 -1.304
26 HD3 LYS 6 HD3 LYS 6 -17.867 -9.161 -2.122
27 HE2 LYS 6 HE2 LYS 6 -17.034 -10.051 -1.827
28 HE2 LYS 6 HE2 LYS 6 -15.765 -8.435 -0.373
29 HE3 LYS 6 HE3 LYS 6 -16.900 -8.964 -3.206
30 HE3 LYS 6 HE3 LYS 6 -17.117 -8.973 0.624
31 HZ1 LYS 6 HZ1 LYS 6 -14.804 -9.843 -1.336
32 HZ1 LYS 6 HZ1 LYS 6 -16.905 -11.074 -0.082
33 HZ2 LYS 6 HZ2 LYS 6 -14.635 -8.377 -2.162
34 HZ2 LYS 6 HZ2 LYS 6 -15.334 -10.615 -0.508
35 HZ3 LYS 6 HZ3 LYS 6 -14.785 -9.822 -3.028
36 HZ3 LYS 6 HZ3 LYS 6 -16.556 -10.634 -1.679
37 H LEU 7 H LEU 7 -15.467 -2.312 -1.286
38 H LEU 7 H LEU 7 -15.155 -2.520 -1.848
39 HA LEU 7 HA LEU 7 -14.493 -2.031 1.473
40 HA LEU 7 HA LEU 7 -14.180 -2.295 0.852
41 HB2 LEU 7 HB2 LEU 7 -14.175 0.326 -0.253
42 HB2 LEU 7 HB2 LEU 7 -14.021 -0.706 -1.638
43 HB3 LEU 7 HB3 LEU 7 -13.123 -0.303 1.013
44 HB3 LEU 7 HB3 LEU 7 -13.874 0.185 -0.124
45 HG LEU 7 HG LEU 7 -13.291 -1.432 -1.780
46 HG LEU 7 HG LEU 7 -11.929 -1.079 0.499
47 HD11 LEU 7 HD11 LEU 7 -11.269 -0.281 -2.277
48 HD11 LEU 7 HD11 LEU 7 -11.119 -2.614 -1.575
49 HD12 LEU 7 HD12 LEU 7 -11.123 0.308 -0.622
50 HD12 LEU 7 HD12 LEU 7 -12.864 -2.868 -1.636
51 HD13 LEU 7 HD13 LEU 7 -12.415 0.911 -1.660
52 HD13 LEU 7 HD13 LEU 7 -11.971 -3.227 -0.156
53 HD21 LEU 7 HD21 LEU 7 -12.053 -2.310 0.683
54 HD21 LEU 7 HD21 LEU 7 -12.022 0.190 -2.186
55 HD22 LEU 7 HD22 LEU 7 -10.860 -2.063 -0.593
56 HD22 LEU 7 HD22 LEU 7 -10.550 -0.660 -1.718
57 HD23 LEU 7 HD23 LEU 7 -12.222 -3.152 -0.857
58 HD23 LEU 7 HD23 LEU 7 -11.149 0.676 -0.733
59 HA PRO 8 HA PRO 8 -18.309 -0.024 2.303
60 HA PRO 8 HA PRO 8 -17.598 -0.284 2.737
61 HB2 PRO 8 HB2 PRO 8 -17.569 1.700 4.266
62 HB2 PRO 8 HB2 PRO 8 -16.338 1.391 4.463
63 HB3 PRO 8 HB3 PRO 8 -17.696 -0.045 4.518
64 HB3 PRO 8 HB3 PRO 8 -16.407 -0.360 4.701
65 HG2 PRO 8 HG2 PRO 8 -15.264 1.623 3.997
66 HG2 PRO 8 HG2 PRO 8 -14.193 1.313 3.574
67 HG3 PRO 8 HG3 PRO 8 -15.486 0.297 5.155
68 HG3 PRO 8 HG3 PRO 8 -14.103 -0.038 4.719
69 HD2 PRO 8 HD2 PRO 8 -14.237 -0.040 2.775
70 HD2 PRO 8 HD2 PRO 8 -13.551 -0.323 2.082
71 HD3 PRO 8 HD3 PRO 8 -15.188 -1.326 3.545
72 HD3 PRO 8 HD3 PRO 8 -14.270 -1.624 3.054
73 HA PRO 9 HA PRO 9 -18.702 3.830 0.223
74 HA PRO 9 HA PRO 9 -18.506 3.611 0.913
75 HB2 PRO 9 HB2 PRO 9 -20.552 5.148 1.709
76 HB2 PRO 9 HB2 PRO 9 -19.908 4.883 2.859
77 HB3 PRO 9 HB3 PRO 9 -20.951 3.763 0.686
78 HB3 PRO 9 HB3 PRO 9 -20.560 3.520 1.939
79 HG2 PRO 9 HG2 PRO 9 -20.479 3.862 3.641
80 HG2 PRO 9 HG2 PRO 9 -19.341 3.549 4.673
81 HG3 PRO 9 HG3 PRO 9 -21.731 2.991 2.737
82 HG3 PRO 9 HG3 PRO 9 -20.785 2.693 4.100
83 HD2 PRO 9 HD2 PRO 9 -19.501 1.776 3.679
84 HD2 PRO 9 HD2 PRO 9 -18.389 1.468 4.404
85 HD3 PRO 9 HD3 PRO 9 -20.304 1.267 2.181
86 HD3 PRO 9 HD3 PRO 9 -19.554 0.991 3.152
87 H GLY 10 H GLY 10 -16.867 5.037 0.316
88 H GLY 10 H GLY 10 -17.360 5.411 0.546
89 HA2 GLY 10 HA2 GLY 10 -16.497 7.415 1.295
90 HA2 GLY 10 HA2 GLY 10 -16.294 7.429 1.081
91 HA3 GLY 10 HA3 GLY 10 -16.281 6.513 2.787
92 HA3 GLY 10 HA3 GLY 10 -16.280 6.946 2.771
93 H TRP 11 H TRP 11 -15.014 4.276 1.235
94 H TRP 11 H TRP 11 -15.089 5.094 0.007
95 HA TRP 11 HA TRP 11 -12.343 5.480 1.103
96 HA TRP 11 HA TRP 11 -12.330 5.665 0.701
97 HB2 TRP 11 HB2 TRP 11 -13.342 2.699 1.636
98 HB2 TRP 11 HB2 TRP 11 -13.538 2.912 1.000
99 HB3 TRP 11 HB3 TRP 11 -11.684 2.958 1.102
100 HB3 TRP 11 HB3 TRP 11 -11.805 3.206 0.896
101 HD1 TRP 11 HD1 TRP 11 -13.895 3.180 4.139
102 HD1 TRP 11 HD1 TRP 11 -14.746 3.472 3.282
103 HE1 TRP 11 HE1 TRP 11 -12.495 3.912 6.171
104 HE1 TRP 11 HE1 TRP 11 -13.872 4.054 5.630
105 HE3 TRP 11 HE3 TRP 11 -9.588 4.502 1.723
106 HE3 TRP 11 HE3 TRP 11 -9.872 4.473 2.108
107 HZ2 TRP 11 HZ2 TRP 11 -9.908 4.919 6.682
108 HZ2 TRP 11 HZ2 TRP 11 -11.439 4.835 6.829
109 HZ3 TRP 11 HZ3 TRP 11 -7.697 5.340 3.056
110 HZ3 TRP 11 HZ3 TRP 11 -8.336 5.130 3.914
111 HH2 TRP 11 HH2 TRP 11 -7.857 5.543 5.485
112 HH2 TRP 11 HH2 TRP 11 -9.105 5.308 6.225
113 H GLU 12 H GLU 12 -11.161 5.512 -0.724
114 H GLU 12 H GLU 12 -10.907 5.296 -0.969
115 HA GLU 12 HA GLU 12 -12.317 4.208 -3.102
116 HA GLU 12 HA GLU 12 -11.972 4.043 -3.402
117 HB2 GLU 12 HB2 GLU 12 -12.534 6.539 -3.438
118 HB2 GLU 12 HB2 GLU 12 -10.588 6.724 -3.235
119 HB3 GLU 12 HB3 GLU 12 -10.929 6.862 -2.799
120 HB3 GLU 12 HB3 GLU 12 -10.871 5.856 -4.737
121 HG2 GLU 12 HG2 GLU 12 -10.941 7.141 -5.190
122 HG2 GLU 12 HG2 GLU 12 -13.061 6.696 -2.857
123 HG3 GLU 12 HG3 GLU 12 -9.939 5.761 -4.748
124 HG3 GLU 12 HG3 GLU 12 -12.517 7.659 -4.230
125 H LYS 13 H LYS 13 -10.905 3.271 -4.602
126 H LYS 13 H LYS 13 -10.539 2.834 -4.540
127 HA LYS 13 HA LYS 13 -8.366 2.417 -3.451
128 HA LYS 13 HA LYS 13 -7.973 2.323 -3.283
129 HB2 LYS 13 HB2 LYS 13 -10.182 0.909 -4.596
130 HB2 LYS 13 HB2 LYS 13 -9.356 0.425 -3.958
131 HB3 LYS 13 HB3 LYS 13 -9.410 1.442 -6.082
132 HB3 LYS 13 HB3 LYS 13 -9.343 0.988 -5.624
133 HG2 LYS 13 HG2 LYS 13 -7.234 0.632 -5.104
134 HG2 LYS 13 HG2 LYS 13 -6.799 0.759 -5.488
135 HG3 LYS 13 HG3 LYS 13 -8.190 -0.118 -3.823
136 HG3 LYS 13 HG3 LYS 13 -7.098 -0.186 -4.026
137 HD2 LYS 13 HD2 LYS 13 -9.377 -0.831 -6.290
138 HD2 LYS 13 HD2 LYS 13 -8.696 -0.912 -6.404
139 HD3 LYS 13 HD3 LYS 13 -7.638 -1.084 -6.453
140 HD3 LYS 13 HD3 LYS 13 -6.968 -1.260 -6.488
141 HE2 LYS 13 HE2 LYS 13 -9.325 -2.141 -4.187
142 HE2 LYS 13 HE2 LYS 13 -8.425 -2.027 -4.015
143 HE3 LYS 13 HE3 LYS 13 -8.864 -3.073 -5.609
144 HE3 LYS 13 HE3 LYS 13 -8.710 -2.983 -5.467
145 HZ1 LYS 13 HZ1 LYS 13 -7.341 -2.464 -3.268
146 HZ1 LYS 13 HZ1 LYS 13 -6.014 -2.746 -5.407
147 HZ2 LYS 13 HZ2 LYS 13 -6.508 -2.060 -4.683
148 HZ2 LYS 13 HZ2 LYS 13 -6.887 -4.084 -4.855
149 HZ3 LYS 13 HZ3 LYS 13 -7.068 -3.640 -4.454
150 HZ3 LYS 13 HZ3 LYS 13 -6.398 -2.887 -3.764
151 H ARG 14 H ARG 14 -6.589 3.523 -3.907
152 H ARG 14 H ARG 14 -6.175 3.320 -3.884
153 HA ARG 14 HA ARG 14 -6.349 4.759 -6.571
154 HA ARG 14 HA ARG 14 -5.997 4.358 -6.637
155 HB2 ARG 14 HB2 ARG 14 -5.769 5.812 -3.862
156 HB2 ARG 14 HB2 ARG 14 -4.620 5.441 -4.172
157 HB3 ARG 14 HB3 ARG 14 -4.610 6.214 -5.120
158 HB3 ARG 14 HB3 ARG 14 -4.550 6.123 -5.791
159 HG2 ARG 14 HG2 ARG 14 -6.827 6.849 -6.430
160 HG2 ARG 14 HG2 ARG 14 -7.258 5.797 -4.713
161 HG3 ARG 14 HG3 ARG 14 -7.422 7.071 -4.783
162 HG3 ARG 14 HG3 ARG 14 -6.238 6.943 -3.841
163 HD2 ARG 14 HD2 ARG 14 -6.194 8.922 -4.464
164 HD2 ARG 14 HD2 ARG 14 -6.821 6.966 -6.801
165 HD3 ARG 14 HD3 ARG 14 -4.781 8.231 -5.263
166 HD3 ARG 14 HD3 ARG 14 -7.500 8.062 -5.598
167 HE ARG 14 HE ARG 14 -6.780 9.925 -6.437
168 HE ARG 14 HE ARG 14 -4.845 8.424 -5.300
169 HH11 ARG 14 HH11 ARG 14 -4.387 7.475 -7.065
170 HH11 ARG 14 HH11 ARG 14 -6.942 8.450 -8.081
171 HH12 ARG 14 HH12 ARG 14 -4.167 7.933 -8.720
172 HH12 ARG 14 HH12 ARG 14 -5.981 9.594 -8.957
173 HH21 ARG 14 HH21 ARG 14 -6.497 10.536 -8.615
174 HH21 ARG 14 HH21 ARG 14 -3.572 9.931 -6.445
175 HH22 ARG 14 HH22 ARG 14 -5.366 9.674 -9.602
176 HH22 ARG 14 HH22 ARG 14 -4.065 10.436 -8.027
177 H MET 15 H MET 15 -4.057 5.076 -7.272
178 H MET 15 H MET 15 -3.757 4.525 -7.483
179 HA MET 15 HA MET 15 -2.336 2.893 -6.302
180 HA MET 15 HA MET 15 -1.943 2.508 -6.363
181 HB2 MET 15 HB2 MET 15 -3.542 2.727 -8.662
182 HB2 MET 15 HB2 MET 15 -3.053 1.315 -8.102
183 HB3 MET 15 HB3 MET 15 -2.191 3.738 -9.157
184 HB3 MET 15 HB3 MET 15 -2.916 2.671 -9.212
185 HG2 MET 15 HG2 MET 15 -1.376 1.455 -7.548
186 HG2 MET 15 HG2 MET 15 -0.336 1.758 -8.247
187 HG3 MET 15 HG3 MET 15 -2.204 1.001 -9.036
188 HG3 MET 15 HG3 MET 15 -1.243 0.493 -9.075
189 HE1 MET 15 HE1 MET 15 -0.692 2.996 -11.605
190 HE1 MET 15 HE1 MET 15 -1.128 1.256 -12.647
191 HE2 MET 15 HE2 MET 15 -0.157 1.320 -11.726
192 HE2 MET 15 HE2 MET 15 -0.131 0.220 -11.624
193 HE3 MET 15 HE3 MET 15 -1.781 1.688 -11.145
194 HE3 MET 15 HE3 MET 15 -1.863 0.367 -11.313
195 H SER 16 H SER 16 -0.084 3.244 -6.407
196 H SER 16 H SER 16 -0.032 3.406 -6.006
197 HA SER 16 HA SER 16 0.636 6.087 -6.398
198 HA SER 16 HA SER 16 0.703 5.968 -6.851
199 HB2 SER 16 HB2 SER 16 1.159 4.171 -4.543
200 HB2 SER 16 HB2 SER 16 2.027 5.477 -5.086
201 HB3 SER 16 HB3 SER 16 2.631 4.095 -5.508
202 HB3 SER 16 HB3 SER 16 1.983 3.744 -5.416
203 HG SER 16 HG SER 16 2.571 6.508 -5.244
204 HG SER 16 HG SER 16 3.656 5.708 -6.579
205 H ARG 17 H ARG 17 2.179 6.934 -7.714
206 H ARG 17 H ARG 17 2.406 6.636 -8.278
207 HA ARG 17 HA ARG 17 3.304 5.124 -9.750
208 HA ARG 17 HA ARG 17 2.671 4.857 -10.607
209 HB2 ARG 17 HB2 ARG 17 2.805 8.080 -10.097
210 HB2 ARG 17 HB2 ARG 17 3.067 7.845 -10.609
211 HB3 ARG 17 HB3 ARG 17 3.198 6.901 -11.342
212 HB3 ARG 17 HB3 ARG 17 2.831 6.783 -11.990
213 HG2 ARG 17 HG2 ARG 17 1.053 5.870 -11.141
214 HG2 ARG 17 HG2 ARG 17 0.535 6.392 -11.351
215 HG3 ARG 17 HG3 ARG 17 0.660 6.853 -9.730
216 HG3 ARG 17 HG3 ARG 17 0.756 7.353 -9.886
217 HD2 ARG 17 HD2 ARG 17 -0.364 7.589 -11.920
218 HD2 ARG 17 HD2 ARG 17 -0.379 8.522 -11.814
219 HD3 ARG 17 HD3 ARG 17 0.516 8.824 -11.021
220 HD3 ARG 17 HD3 ARG 17 1.014 9.352 -11.119
221 HE ARG 17 HE ARG 17 2.095 7.448 -12.999
222 HE ARG 17 HE ARG 17 1.754 7.708 -13.326
223 HH11 ARG 17 HH11 ARG 17 -0.046 10.121 -12.366
224 HH11 ARG 17 HH11 ARG 17 0.333 10.770 -12.475
225 HH12 ARG 17 HH12 ARG 17 0.530 11.066 -13.700
226 HH12 ARG 17 HH12 ARG 17 0.803 11.547 -13.951
227 HH21 ARG 17 HH21 ARG 17 2.858 8.683 -14.759
228 HH21 ARG 17 HH21 ARG 17 2.378 8.718 -15.272
229 HH22 ARG 17 HH22 ARG 17 2.180 10.246 -15.061
230 HH22 ARG 17 HH22 ARG 17 1.965 10.378 -15.542
231 H ASN 18 H ASN 18 4.509 5.692 -7.194
232 H ASN 18 H ASN 18 4.393 6.742 -8.251
233 HA ASN 18 HA ASN 18 6.941 7.079 -8.110
234 HA ASN 18 HA ASN 18 6.932 6.606 -9.588
235 HB2 ASN 18 HB2 ASN 18 5.332 7.470 -5.672
236 HB2 ASN 18 HB2 ASN 18 6.336 7.252 -6.692
237 HB3 ASN 18 HB3 ASN 18 7.067 7.342 -5.397
238 HB3 ASN 18 HB3 ASN 18 7.839 7.585 -7.550
239 HD21 ASN 18 HD21 ASN 18 5.113 8.778 -7.986
240 HD21 ASN 18 HD21 ASN 18 7.261 8.754 -9.777
241 HD22 ASN 18 HD22 ASN 18 5.821 10.351 -7.880
242 HD22 ASN 18 HD22 ASN 18 6.297 10.170 -9.567
243 H SER 19 H SER 19 6.150 5.231 -5.180
244 H SER 19 H SER 19 5.186 4.679 -7.270
245 HA SER 19 HA SER 19 8.596 3.718 -5.452
246 HA SER 19 HA SER 19 7.462 2.808 -7.176
247 HB2 SER 19 HB2 SER 19 8.051 2.797 -3.273
248 HB2 SER 19 HB2 SER 19 6.600 2.101 -4.932
249 HB3 SER 19 HB3 SER 19 7.786 4.540 -3.242
250 HB3 SER 19 HB3 SER 19 7.178 3.766 -4.976
251 HG SER 19 HG SER 19 5.920 2.450 -3.214
252 HG SER 19 HG SER 19 5.124 4.497 -4.902
253 H GLY 20 H GLY 20 5.121 2.934 -5.262
254 H GLY 20 H GLY 20 3.982 2.751 -6.371
255 HA2 GLY 20 HA2 GLY 20 4.250 1.370 -6.949
256 HA2 GLY 20 HA2 GLY 20 2.528 1.514 -7.983
257 HA3 GLY 20 HA3 GLY 20 5.728 0.444 -6.735
258 HA3 GLY 20 HA3 GLY 20 3.780 0.282 -7.982
259 H ARG 21 H ARG 21 2.582 1.165 -5.470
260 H ARG 21 H ARG 21 2.934 1.934 -5.044
261 HA ARG 21 HA ARG 21 2.280 -1.300 -4.205
262 HA ARG 21 HA ARG 21 2.010 -0.592 -3.925
263 HB2 ARG 21 HB2 ARG 21 2.201 -0.346 -1.796
264 HB2 ARG 21 HB2 ARG 21 3.160 1.908 -2.863
265 HB3 ARG 21 HB3 ARG 21 3.761 -0.775 -2.488
266 HB3 ARG 21 HB3 ARG 21 1.922 1.171 -1.852
267 HG2 ARG 21 HG2 ARG 21 4.120 1.596 -3.067
268 HG2 ARG 21 HG2 ARG 21 3.191 -0.670 -1.393
269 HG3 ARG 21 HG3 ARG 21 2.594 1.991 -2.274
270 HG3 ARG 21 HG3 ARG 21 4.094 -0.560 -2.907
271 HD2 ARG 21 HD2 ARG 21 5.032 0.767 -0.988
272 HD2 ARG 21 HD2 ARG 21 5.458 -0.016 -0.913
273 HD3 ARG 21 HD3 ARG 21 4.450 2.419 -0.778
274 HD3 ARG 21 HD3 ARG 21 5.362 1.307 -2.074
275 HE ARG 21 HE ARG 21 2.461 0.513 -0.065
276 HE ARG 21 HE ARG 21 3.372 1.897 -0.366
277 HH11 ARG 21 HH11 ARG 21 5.382 2.041 1.057
278 HH11 ARG 21 HH11 ARG 21 6.709 1.040 0.133
279 HH12 ARG 21 HH12 ARG 21 4.995 1.841 2.734
280 HH12 ARG 21 HH12 ARG 21 6.863 1.963 1.590
281 HH21 ARG 21 HH21 ARG 21 1.942 0.246 2.140
282 HH21 ARG 21 HH21 ARG 21 3.562 3.115 1.551
283 HH22 ARG 21 HH22 ARG 21 3.039 0.821 3.349
284 HH22 ARG 21 HH22 ARG 21 5.072 3.143 2.398
285 H VAL 22 H VAL 22 0.168 -1.649 -3.738
286 H VAL 22 H VAL 22 -0.062 -1.058 -3.592
287 HA VAL 22 HA VAL 22 -1.725 0.363 -4.481
288 HA VAL 22 HA VAL 22 -2.098 0.869 -4.268
289 HB VAL 22 HB VAL 22 -2.146 -2.378 -3.287
290 HB VAL 22 HB VAL 22 -2.307 -1.994 -3.327
291 HG11 VAL 22 HG11 VAL 22 -4.136 -0.459 -4.488
292 HG11 VAL 22 HG11 VAL 22 -4.305 -0.793 -2.685
293 HG12 VAL 22 HG12 VAL 22 -4.473 -2.136 -4.056
294 HG12 VAL 22 HG12 VAL 22 -4.458 -0.120 -4.309
295 HG13 VAL 22 HG13 VAL 22 -4.053 -0.967 -2.803
296 HG13 VAL 22 HG13 VAL 22 -4.662 -1.852 -4.047
297 HG21 VAL 22 HG21 VAL 22 -1.951 -3.209 -5.345
298 HG21 VAL 22 HG21 VAL 22 -3.163 -1.213 -6.032
299 HG22 VAL 22 HG22 VAL 22 -2.992 -1.959 -6.027
300 HG22 VAL 22 HG22 VAL 22 -1.430 -1.101 -5.727
301 HG23 VAL 22 HG23 VAL 22 -1.267 -1.653 -5.813
302 HG23 VAL 22 HG23 VAL 22 -2.269 -2.634 -5.488
303 H TYR 23 H TYR 23 -3.168 1.483 -3.217
304 H TYR 23 H TYR 23 -3.510 1.874 -2.921
305 HA TYR 23 HA TYR 23 -3.211 1.076 -0.345
306 HA TYR 23 HA TYR 23 -3.600 1.177 -0.101
307 HB2 TYR 23 HB2 TYR 23 -2.464 3.243 0.270
308 HB2 TYR 23 HB2 TYR 23 -3.080 3.462 0.643
309 HB3 TYR 23 HB3 TYR 23 -1.271 2.631 -0.869
310 HB3 TYR 23 HB3 TYR 23 -1.718 2.738 -0.204
311 HD1 TYR 23 HD1 TYR 23 -1.278 3.476 -3.222
312 HD1 TYR 23 HD1 TYR 23 -0.954 3.618 -2.311
313 HD2 TYR 23 HD2 TYR 23 -3.712 5.207 -0.193
314 HD2 TYR 23 HD2 TYR 23 -4.373 5.271 -0.394
315 HE1 TYR 23 HE1 TYR 23 -1.569 5.484 -4.612
316 HE1 TYR 23 HE1 TYR 23 -0.863 5.551 -3.830
317 HE2 TYR 23 HE2 TYR 23 -4.012 7.220 -1.577
318 HE2 TYR 23 HE2 TYR 23 -4.292 7.209 -1.907
319 HH TYR 23 HH TYR 23 -2.231 8.191 -3.818
320 HH TYR 23 HH TYR 23 -3.417 7.855 -4.026
321 H TYR 24 H TYR 24 -4.779 2.624 0.709
322 H TYR 24 H TYR 24 -5.054 3.041 1.000
323 HA TYR 24 HA TYR 24 -7.033 3.099 -1.125
324 HA TYR 24 HA TYR 24 -7.318 3.567 -0.805
325 HB2 TYR 24 HB2 TYR 24 -7.008 2.446 1.826
326 HB2 TYR 24 HB2 TYR 24 -7.698 2.742 2.068
327 HB3 TYR 24 HB3 TYR 24 -8.456 2.908 0.935
328 HB3 TYR 24 HB3 TYR 24 -8.895 2.794 0.778
329 HD1 TYR 24 HD1 TYR 24 -9.015 1.454 -1.160
330 HD1 TYR 24 HD1 TYR 24 -8.639 1.129 -1.147
331 HD2 TYR 24 HD2 TYR 24 -6.441 0.201 1.990
332 HD2 TYR 24 HD2 TYR 24 -6.539 0.762 2.536
333 HE1 TYR 24 HE1 TYR 24 -9.369 -0.891 -1.811
334 HE1 TYR 24 HE1 TYR 24 -8.242 -1.252 -1.617
335 HE2 TYR 24 HE2 TYR 24 -6.788 -2.147 1.346
336 HE2 TYR 24 HE2 TYR 24 -6.137 -1.621 2.075
337 HH TYR 24 HH TYR 24 -9.096 -3.304 -0.216
338 HH TYR 24 HH TYR 24 -7.672 -3.433 0.286
339 H PHE 25 H PHE 25 -8.375 4.947 -0.749
340 H PHE 25 H PHE 25 -8.294 5.516 -0.587
341 HA PHE 25 HA PHE 25 -7.144 7.081 0.849
342 HA PHE 25 HA PHE 25 -7.419 7.237 1.633
343 HB2 PHE 25 HB2 PHE 25 -6.445 7.409 -1.482
344 HB2 PHE 25 HB2 PHE 25 -6.186 8.015 -0.249
345 HB3 PHE 25 HB3 PHE 25 -8.129 7.383 -1.996
346 HB3 PHE 25 HB3 PHE 25 -7.592 7.908 -1.302
347 HD1 PHE 25 HD1 PHE 25 -9.115 9.407 -2.398
348 HD1 PHE 25 HD1 PHE 25 -9.315 9.608 -1.257
349 HD2 PHE 25 HD2 PHE 25 -5.991 9.178 0.483
350 HD2 PHE 25 HD2 PHE 25 -5.897 9.871 1.267
351 HE1 PHE 25 HE1 PHE 25 -9.259 11.840 -2.055
352 HE1 PHE 25 HE1 PHE 25 -9.832 11.972 -0.808
353 HE2 PHE 25 HE2 PHE 25 -6.128 11.611 0.832
354 HE2 PHE 25 HE2 PHE 25 -6.410 12.233 1.721
355 HZ PHE 25 HZ PHE 25 -7.764 12.944 -0.438
356 HZ PHE 25 HZ PHE 25 -8.379 13.286 0.684
357 H ASN 26 H ASN 26 -8.574 7.828 2.253
358 H ASN 26 H ASN 26 -8.928 8.671 2.452
359 HA ASN 26 HA ASN 26 -11.421 7.423 1.768
360 HA ASN 26 HA ASN 26 -11.697 8.146 1.622
361 HB2 ASN 26 HB2 ASN 26 -10.542 6.743 3.944
362 HB2 ASN 26 HB2 ASN 26 -10.898 7.722 4.028
363 HB3 ASN 26 HB3 ASN 26 -9.944 8.375 4.232
364 HB3 ASN 26 HB3 ASN 26 -10.861 9.475 4.194
365 HD21 ASN 26 HD21 ASN 26 -12.550 6.254 4.530
366 HD21 ASN 26 HD21 ASN 26 -12.518 7.450 5.524
367 HD22 ASN 26 HD22 ASN 26 -13.724 7.384 5.101
368 HD22 ASN 26 HD22 ASN 26 -14.154 7.919 5.227
369 H HIS 27 H HIS 27 -12.450 8.969 0.688
370 H HIS 27 H HIS 27 -12.796 9.677 0.597
371 HA HIS 27 HA HIS 27 -11.541 11.732 0.855
372 HA HIS 27 HA HIS 27 -11.637 12.287 0.213
373 HB2 HIS 27 HB2 HIS 27 -13.050 12.155 -1.004
374 HB2 HIS 27 HB2 HIS 27 -13.676 12.661 -1.212
375 HB3 HIS 27 HB3 HIS 27 -12.048 10.750 -1.357
376 HB3 HIS 27 HB3 HIS 27 -12.685 11.289 -1.695
377 HD1 HIS 27 HD1 HIS 27 -14.387 10.758 -3.044
378 HD1 HIS 27 HD1 HIS 27 -15.992 12.126 -0.125
379 HD2 HIS 27 HD2 HIS 27 -14.617 9.322 0.848
380 HD2 HIS 27 HD2 HIS 27 -13.925 8.811 -1.537
381 HE1 HIS 27 HE1 HIS 27 -16.411 9.266 -2.997
382 HE1 HIS 27 HE1 HIS 27 -17.675 10.260 -0.186
383 H ILE 28 H ILE 28 -12.599 10.820 3.241
384 H ILE 28 H ILE 28 -13.871 10.867 2.364
385 HA ILE 28 HA ILE 28 -15.057 12.422 3.414
386 HA ILE 28 HA ILE 28 -15.285 13.321 2.961
387 HB ILE 28 HB ILE 28 -14.563 9.707 4.605
388 HB ILE 28 HB ILE 28 -15.348 10.641 4.351
389 HG12 ILE 28 HG12 ILE 28 -15.685 9.967 2.368
390 HG12 ILE 28 HG12 ILE 28 -17.265 11.929 2.396
391 HG13 ILE 28 HG13 ILE 28 -16.654 9.136 3.580
392 HG13 ILE 28 HG13 ILE 28 -16.213 10.557 2.063
393 HG21 ILE 28 HG21 ILE 28 -16.146 11.947 5.697
394 HG21 ILE 28 HG21 ILE 28 -17.684 12.181 4.818
395 HG22 ILE 28 HG22 ILE 28 -16.928 10.366 5.684
396 HG22 ILE 28 HG22 ILE 28 -16.492 11.609 5.985
397 HG23 ILE 28 HG23 ILE 28 -15.391 10.583 6.519
398 HG23 ILE 28 HG23 ILE 28 -16.285 13.178 5.209
399 HD11 ILE 28 HD11 ILE 28 -17.366 11.350 2.026
400 HD11 ILE 28 HD11 ILE 28 -17.441 9.328 3.882
401 HD12 ILE 28 HD12 ILE 28 -18.283 10.608 3.337
402 HD12 ILE 28 HD12 ILE 28 -18.598 10.660 3.880
403 HD13 ILE 28 HD13 ILE 28 -17.183 11.945 3.677
404 HD13 ILE 28 HD13 ILE 28 -18.370 9.688 2.426
405 H THR 29 H THR 29 -12.265 11.064 5.095
406 H THR 29 H THR 29 -12.971 11.191 4.621
407 HA THR 29 HA THR 29 -12.412 13.317 6.992
408 HA THR 29 HA THR 29 -12.622 13.160 6.740
409 HB THR 29 HB THR 29 -10.955 10.950 7.944
410 HB THR 29 HB THR 29 -10.858 11.322 7.460
411 HG1 THR 29 HG1 THR 29 -13.766 10.762 8.044
412 HG1 THR 29 HG1 THR 29 -11.446 9.277 6.704
413 HG21 THR 29 HG21 THR 29 -12.546 11.490 9.930
414 HG21 THR 29 HG21 THR 29 -13.849 10.956 7.658
415 HG22 THR 29 HG22 THR 29 -12.894 12.961 9.022
416 HG22 THR 29 HG22 THR 29 -12.837 11.902 8.748
417 HG23 THR 29 HG23 THR 29 -11.245 12.611 9.540
418 HG23 THR 29 HG23 THR 29 -12.657 10.150 8.675
419 H ASN 30 H ASN 30 -10.977 13.037 4.421
420 H ASN 30 H ASN 30 -11.155 12.230 3.794
421 HA ASN 30 HA ASN 30 -8.909 13.350 3.506
422 HA ASN 30 HA ASN 30 -9.320 12.977 2.678
423 HB2 ASN 30 HB2 ASN 30 -8.862 14.933 6.053
424 HB2 ASN 30 HB2 ASN 30 -10.225 15.187 3.688
425 HB3 ASN 30 HB3 ASN 30 -7.427 14.868 5.035
426 HB3 ASN 30 HB3 ASN 30 -8.877 15.048 4.813
427 HD21 ASN 30 HD21 ASN 30 -7.675 15.534 2.794
428 HD21 ASN 30 HD21 ASN 30 -6.735 14.550 3.671
429 HD22 ASN 30 HD22 ASN 30 -8.817 16.772 2.411
430 HD22 ASN 30 HD22 ASN 30 -6.396 15.505 2.273
431 H ALA 31 H ALA 31 -9.230 10.895 4.983
432 H ALA 31 H ALA 31 -8.630 10.813 3.755
433 HA ALA 31 HA ALA 31 -6.609 10.493 6.227
434 HA ALA 31 HA ALA 31 -5.955 11.245 4.788
435 HB1 ALA 31 HB1 ALA 31 -7.765 8.114 6.542
436 HB1 ALA 31 HB1 ALA 31 -7.815 9.463 6.342
437 HB2 ALA 31 HB2 ALA 31 -8.063 9.467 7.635
438 HB2 ALA 31 HB2 ALA 31 -6.175 9.955 6.765
439 HB3 ALA 31 HB3 ALA 31 -9.217 9.097 6.354
440 HB3 ALA 31 HB3 ALA 31 -7.483 11.137 6.786
441 H SER 32 H SER 32 -5.296 8.662 5.623
442 H SER 32 H SER 32 -4.721 9.178 4.912
443 HA SER 32 HA SER 32 -5.815 7.291 3.149
444 HA SER 32 HA SER 32 -5.762 7.184 3.010
445 HB2 SER 32 HB2 SER 32 -4.830 9.672 2.637
446 HB2 SER 32 HB2 SER 32 -3.910 7.290 1.701
447 HB3 SER 32 HB3 SER 32 -3.305 8.930 3.122
448 HB3 SER 32 HB3 SER 32 -3.753 8.905 2.394
449 HG SER 32 HG SER 32 -4.939 7.588 1.284
450 HG SER 32 HG SER 32 -2.131 6.771 2.670
451 H GLN 33 H GLN 33 -5.603 5.558 4.686
452 H GLN 33 H GLN 33 -5.132 5.035 3.339
453 HA GLN 33 HA GLN 33 -2.855 5.052 5.593
454 HA GLN 33 HA GLN 33 -3.483 4.375 5.632
455 HB2 GLN 33 HB2 GLN 33 -3.834 3.407 7.121
456 HB2 GLN 33 HB2 GLN 33 -5.725 4.688 6.608
457 HB3 GLN 33 HB3 GLN 33 -4.559 4.993 7.346
458 HB3 GLN 33 HB3 GLN 33 -6.373 3.500 5.483
459 HG2 GLN 33 HG2 GLN 33 -6.437 4.212 5.860
460 HG2 GLN 33 HG2 GLN 33 -5.042 1.759 6.488
461 HG3 GLN 33 HG3 GLN 33 -5.747 2.594 5.987
462 HG3 GLN 33 HG3 GLN 33 -4.259 2.931 7.548
463 HE21 GLN 33 HE21 GLN 33 -5.116 2.176 8.455
464 HE21 GLN 33 HE21 GLN 33 -7.149 1.129 6.897
465 HE22 GLN 33 HE22 GLN 33 -6.439 2.415 9.543
466 HE22 GLN 33 HE22 GLN 33 -7.933 1.442 8.404
467 H PHE 34 H PHE 34 -2.032 2.847 5.417
468 H PHE 34 H PHE 34 -2.393 2.521 5.328
469 HA PHE 34 HA PHE 34 -2.596 1.758 2.799
470 HA PHE 34 HA PHE 34 -2.736 1.131 2.825
471 HB2 PHE 34 HB2 PHE 34 -0.637 0.676 4.823
472 HB2 PHE 34 HB2 PHE 34 -0.793 0.655 5.094
473 HB3 PHE 34 HB3 PHE 34 -0.618 0.457 3.078
474 HB3 PHE 34 HB3 PHE 34 -0.729 -0.133 3.521
475 HD1 PHE 34 HD1 PHE 34 1.203 1.875 5.477
476 HD1 PHE 34 HD1 PHE 34 0.555 2.473 5.435
477 HD2 PHE 34 HD2 PHE 34 -0.892 3.059 1.966
478 HD2 PHE 34 HD2 PHE 34 -0.728 1.571 1.478
479 HE1 PHE 34 HE1 PHE 34 2.687 3.824 5.253
480 HE1 PHE 34 HE1 PHE 34 1.928 4.323 4.573
481 HE2 PHE 34 HE2 PHE 34 0.589 5.010 1.735
482 HE2 PHE 34 HE2 PHE 34 0.642 3.421 0.608
483 HZ PHE 34 HZ PHE 34 2.381 5.396 3.380
484 HZ PHE 34 HZ PHE 34 1.972 4.799 2.157
485 H GLU 35 H GLU 35 -3.249 0.985 6.121
486 H GLU 35 H GLU 35 -3.336 0.520 6.224
487 HA GLU 35 HA GLU 35 -3.886 -1.762 5.737
488 HA GLU 35 HA GLU 35 -3.891 -2.267 5.908
489 HB2 GLU 35 HB2 GLU 35 -3.370 -0.425 7.930
490 HB2 GLU 35 HB2 GLU 35 -4.788 -0.465 8.160
491 HB3 GLU 35 HB3 GLU 35 -5.100 -0.111 7.923
492 HB3 GLU 35 HB3 GLU 35 -4.613 -2.214 8.201
493 HG2 GLU 35 HG2 GLU 35 -5.641 -2.325 8.268
494 HG2 GLU 35 HG2 GLU 35 -2.112 -1.553 7.540
495 HG3 GLU 35 HG3 GLU 35 -4.100 -2.907 7.641
496 HG3 GLU 35 HG3 GLU 35 -2.570 -0.094 8.417
497 H ARG 36 H ARG 36 -5.769 -2.740 5.219
498 H ARG 36 H ARG 36 -5.772 -3.280 5.488
499 HA ARG 36 HA ARG 36 -7.728 -1.336 3.784
500 HA ARG 36 HA ARG 36 -7.857 -1.972 4.192
501 HB2 ARG 36 HB2 ARG 36 -7.314 -3.699 3.398
502 HB2 ARG 36 HB2 ARG 36 -7.406 -4.376 3.959
503 HB3 ARG 36 HB3 ARG 36 -7.835 -4.086 5.033
504 HB3 ARG 36 HB3 ARG 36 -7.930 -4.638 5.617
505 HG2 ARG 36 HG2 ARG 36 -10.095 -3.269 4.473
506 HG2 ARG 36 HG2 ARG 36 -10.137 -3.499 4.747
507 HG3 ARG 36 HG3 ARG 36 -9.553 -2.992 2.816
508 HG3 ARG 36 HG3 ARG 36 -9.535 -4.060 3.185
509 HD2 ARG 36 HD2 ARG 36 -9.414 -5.233 2.343
510 HD2 ARG 36 HD2 ARG 36 -9.270 -6.138 5.146
511 HD3 ARG 36 HD3 ARG 36 -9.139 -5.682 4.026
512 HD3 ARG 36 HD3 ARG 36 -10.925 -5.534 5.132
513 HE ARG 36 HE ARG 36 -11.718 -4.660 3.852
514 HE ARG 36 HE ARG 36 -9.854 -6.085 2.518
515 HH11 ARG 36 HH11 ARG 36 -9.901 -7.364 2.626
516 HH11 ARG 36 HH11 ARG 36 -11.518 -7.396 5.280
517 HH12 ARG 36 HH12 ARG 36 -11.279 -8.409 2.523
518 HH12 ARG 36 HH12 ARG 36 -12.255 -8.685 4.387
519 HH21 ARG 36 HH21 ARG 36 -13.539 -6.026 3.721
520 HH21 ARG 36 HH21 ARG 36 -10.819 -7.776 1.331
521 HH22 ARG 36 HH22 ARG 36 -13.348 -7.648 3.145
522 HH22 ARG 36 HH22 ARG 36 -11.857 -8.899 2.141
523 HA PRO 37 HA PRO 37 -10.243 0.303 7.023
524 HA PRO 37 HA PRO 37 -9.775 -0.157 7.821
525 HB2 PRO 37 HB2 PRO 37 -12.424 0.901 5.524
526 HB2 PRO 37 HB2 PRO 37 -11.563 1.331 6.420
527 HB3 PRO 37 HB3 PRO 37 -10.938 1.855 5.479
528 HB3 PRO 37 HB3 PRO 37 -9.872 1.803 6.627
529 HG2 PRO 37 HG2 PRO 37 -11.888 -0.263 3.588
530 HG2 PRO 37 HG2 PRO 37 -11.197 0.471 4.295
531 HG3 PRO 37 HG3 PRO 37 -11.133 1.301 3.228
532 HG3 PRO 37 HG3 PRO 37 -10.009 1.788 4.305
533 HD2 PRO 37 HD2 PRO 37 -9.754 -1.027 3.178
534 HD2 PRO 37 HD2 PRO 37 -9.328 -0.782 3.796
535 HD3 PRO 37 HD3 PRO 37 -9.008 0.514 3.647
536 HD3 PRO 37 HD3 PRO 37 -8.231 0.353 4.607
537 H SER 38 H SER 38 -11.798 -0.415 8.405
538 H SER 38 H SER 38 -11.999 -0.064 8.657
539 HA SER 38 HA SER 38 -12.727 -3.104 8.094
540 HA SER 38 HA SER 38 -13.801 -2.047 7.449
541 HB2 SER 38 HB2 SER 38 -13.864 -2.679 10.285
542 HB2 SER 38 HB2 SER 38 -12.581 -3.158 9.271
543 HB3 SER 38 HB3 SER 38 -12.136 -2.329 10.303
544 HB3 SER 38 HB3 SER 38 -13.089 -1.893 10.390
545 HG SER 38 HG SER 38 -12.677 -0.408 10.928
546 HG SER 38 HG SER 38 -15.073 -2.692 10.425
547 H GLY 39 H GLY 39 -14.497 -0.038 8.586
548 H GLY 39 H GLY 39 -16.016 -1.958 8.567
549 HA2 GLY 39 HA2 GLY 39 -16.368 0.689 7.363
550 HA2 GLY 39 HA2 GLY 39 -16.772 0.506 9.819
551 HA3 GLY 39 HA3 GLY 39 -16.502 -0.913 6.654
552 HA3 GLY 39 HA3 GLY 39 -17.231 0.459 8.122
Start of MODEL 19
1 H1 SER 5 H SER 5 -11.329 -7.728 -3.498
2 H1 SER 5 H SER 5 -13.545 -7.296 -4.953
3 HA SER 5 HA SER 5 -11.360 -5.583 -2.706
4 HA SER 5 HA SER 5 -12.090 -5.123 -3.617
5 HB2 SER 5 HB2 SER 5 -11.837 -3.887 -4.400
6 HB2 SER 5 HB2 SER 5 -13.402 -5.393 -6.298
7 HB3 SER 5 HB3 SER 5 -10.934 -5.223 -5.114
8 HB3 SER 5 HB3 SER 5 -13.200 -3.791 -5.590
9 HG SER 5 HG SER 5 -13.156 -4.254 -5.997
10 HG SER 5 HG SER 5 -10.986 -5.480 -5.578
11 H LYS 6 H LYS 6 -12.680 -5.398 -0.983
12 H LYS 6 H LYS 6 -13.997 -6.202 -2.038
13 HA LYS 6 HA LYS 6 -15.433 -4.516 -1.507
14 HA LYS 6 HA LYS 6 -16.414 -4.581 -2.313
15 HB2 LYS 6 HB2 LYS 6 -14.517 -6.702 0.329
16 HB2 LYS 6 HB2 LYS 6 -15.844 -6.592 -0.143
17 HB3 LYS 6 HB3 LYS 6 -15.963 -5.781 0.716
18 HB3 LYS 6 HB3 LYS 6 -17.407 -5.990 -0.681
19 HG2 LYS 6 HG2 LYS 6 -16.957 -6.430 -1.413
20 HG2 LYS 6 HG2 LYS 6 -17.174 -7.169 -2.781
21 HG3 LYS 6 HG3 LYS 6 -15.501 -7.341 -1.820
22 HG3 LYS 6 HG3 LYS 6 -15.560 -7.715 -2.320
23 HD2 LYS 6 HD2 LYS 6 -16.270 -8.241 0.717
24 HD2 LYS 6 HD2 LYS 6 -18.099 -8.380 -0.833
25 HD3 LYS 6 HD3 LYS 6 -17.764 -8.124 -0.217
26 HD3 LYS 6 HD3 LYS 6 -17.303 -9.444 -1.994
27 HE2 LYS 6 HE2 LYS 6 -17.028 -9.646 -1.815
28 HE2 LYS 6 HE2 LYS 6 -15.350 -8.586 -0.130
29 HE3 LYS 6 HE3 LYS 6 -15.333 -9.429 -1.381
30 HE3 LYS 6 HE3 LYS 6 -16.765 -9.104 0.784
31 HZ1 LYS 6 HZ1 LYS 6 -16.301 -11.563 -0.630
32 HZ1 LYS 6 HZ1 LYS 6 -16.697 -11.155 -0.696
33 HZ2 LYS 6 HZ2 LYS 6 -17.347 -10.707 0.385
34 HZ2 LYS 6 HZ2 LYS 6 -15.510 -11.026 0.503
35 HZ3 LYS 6 HZ3 LYS 6 -15.675 -10.630 0.636
36 HZ3 LYS 6 HZ3 LYS 6 -15.127 -10.675 -1.107
37 H LEU 7 H LEU 7 -15.468 -2.467 -0.853
38 H LEU 7 H LEU 7 -14.740 -2.740 -1.908
39 HA LEU 7 HA LEU 7 -14.448 -1.849 1.829
40 HA LEU 7 HA LEU 7 -13.980 -2.340 0.839
41 HB2 LEU 7 HB2 LEU 7 -14.174 0.276 -0.198
42 HB2 LEU 7 HB2 LEU 7 -13.652 -0.893 -1.720
43 HB3 LEU 7 HB3 LEU 7 -13.141 -0.125 1.172
44 HB3 LEU 7 HB3 LEU 7 -13.620 0.082 -0.253
45 HG LEU 7 HG LEU 7 -13.199 -1.670 -1.419
46 HG LEU 7 HG LEU 7 -11.719 -1.139 0.578
47 HD11 LEU 7 HD11 LEU 7 -12.416 0.693 -1.661
48 HD11 LEU 7 HD11 LEU 7 -11.684 -3.311 0.011
49 HD12 LEU 7 HD12 LEU 7 -11.206 -0.529 -2.053
50 HD12 LEU 7 HD12 LEU 7 -10.748 -2.749 -1.373
51 HD13 LEU 7 HD13 LEU 7 -11.131 0.323 -0.511
52 HD13 LEU 7 HD13 LEU 7 -12.482 -3.029 -1.538
53 HD21 LEU 7 HD21 LEU 7 -12.084 -3.179 -0.224
54 HD21 LEU 7 HD21 LEU 7 -10.190 -0.802 -1.562
55 HD22 LEU 7 HD22 LEU 7 -11.988 -2.102 1.171
56 HD22 LEU 7 HD22 LEU 7 -10.849 0.562 -0.658
57 HD23 LEU 7 HD23 LEU 7 -10.773 -2.004 -0.106
58 HD23 LEU 7 HD23 LEU 7 -11.631 0.031 -2.149
59 HA PRO 8 HA PRO 8 -18.338 0.111 2.418
60 HA PRO 8 HA PRO 8 -17.540 -0.257 2.344
61 HB2 PRO 8 HB2 PRO 8 -17.672 1.927 4.322
62 HB2 PRO 8 HB2 PRO 8 -16.426 1.558 4.026
63 HB3 PRO 8 HB3 PRO 8 -17.801 0.195 4.650
64 HB3 PRO 8 HB3 PRO 8 -16.484 -0.172 4.382
65 HG2 PRO 8 HG2 PRO 8 -15.359 1.849 4.134
66 HG2 PRO 8 HG2 PRO 8 -14.225 1.461 3.292
67 HG3 PRO 8 HG3 PRO 8 -15.615 0.577 5.345
68 HG3 PRO 8 HG3 PRO 8 -14.193 0.195 4.533
69 HD2 PRO 8 HD2 PRO 8 -14.284 0.136 3.029
70 HD2 PRO 8 HD2 PRO 8 -13.459 -0.262 1.967
71 HD3 PRO 8 HD3 PRO 8 -15.259 -1.117 3.825
72 HD3 PRO 8 HD3 PRO 8 -14.222 -1.506 2.978
73 HA PRO 9 HA PRO 9 -18.695 3.885 0.192
74 HA PRO 9 HA PRO 9 -18.368 3.467 0.159
75 HB2 PRO 9 HB2 PRO 9 -20.508 5.310 1.623
76 HB2 PRO 9 HB2 PRO 9 -19.987 4.812 1.875
77 HB3 PRO 9 HB3 PRO 9 -20.941 3.884 0.674
78 HB3 PRO 9 HB3 PRO 9 -20.508 3.372 0.992
79 HG2 PRO 9 HG2 PRO 9 -20.443 4.122 3.616
80 HG2 PRO 9 HG2 PRO 9 -19.559 3.616 3.819
81 HG3 PRO 9 HG3 PRO 9 -21.719 3.229 2.766
82 HG3 PRO 9 HG3 PRO 9 -20.917 2.677 3.173
83 HD2 PRO 9 HD2 PRO 9 -19.504 2.020 3.750
84 HD2 PRO 9 HD2 PRO 9 -18.530 1.556 3.780
85 HD3 PRO 9 HD3 PRO 9 -20.330 1.453 2.285
86 HD3 PRO 9 HD3 PRO 9 -19.555 0.961 2.458
87 H GLY 10 H GLY 10 -16.561 4.696 0.505
88 H GLY 10 H GLY 10 -17.601 5.523 -0.135
89 HA2 GLY 10 HA2 GLY 10 -16.059 7.186 1.105
90 HA2 GLY 10 HA2 GLY 10 -16.737 7.613 0.533
91 HA3 GLY 10 HA3 GLY 10 -16.188 6.558 2.742
92 HA3 GLY 10 HA3 GLY 10 -16.453 6.957 2.138
93 H TRP 11 H TRP 11 -14.788 4.878 -0.023
94 H TRP 11 H TRP 11 -15.123 4.558 1.073
95 HA TRP 11 HA TRP 11 -12.085 5.425 0.848
96 HA TRP 11 HA TRP 11 -12.493 5.752 0.730
97 HB2 TRP 11 HB2 TRP 11 -13.436 2.805 1.330
98 HB2 TRP 11 HB2 TRP 11 -13.340 2.874 1.133
99 HB3 TRP 11 HB3 TRP 11 -11.737 2.801 0.868
100 HB3 TRP 11 HB3 TRP 11 -11.670 3.427 1.046
101 HD1 TRP 11 HD1 TRP 11 -13.907 3.064 3.836
102 HD1 TRP 11 HD1 TRP 11 -14.759 3.612 3.328
103 HE1 TRP 11 HE1 TRP 11 -12.548 3.791 5.896
104 HE1 TRP 11 HE1 TRP 11 -13.978 4.225 5.703
105 HE3 TRP 11 HE3 TRP 11 -9.617 4.553 1.489
106 HE3 TRP 11 HE3 TRP 11 -9.826 4.527 2.350
107 HZ2 TRP 11 HZ2 TRP 11 -9.992 4.855 6.453
108 HZ2 TRP 11 HZ2 TRP 11 -11.586 4.996 6.990
109 HZ3 TRP 11 HZ3 TRP 11 -7.764 5.415 2.858
110 HZ3 TRP 11 HZ3 TRP 11 -8.359 5.197 4.207
111 HH2 TRP 11 HH2 TRP 11 -7.948 5.561 5.287
112 HH2 TRP 11 HH2 TRP 11 -9.223 5.426 6.479
113 H GLU 12 H GLU 12 -10.874 5.628 -0.913
114 H GLU 12 H GLU 12 -11.059 5.207 -0.959
115 HA GLU 12 HA GLU 12 -11.758 4.284 -3.377
116 HA GLU 12 HA GLU 12 -12.219 3.868 -3.292
117 HB2 GLU 12 HB2 GLU 12 -11.563 6.876 -3.168
118 HB2 GLU 12 HB2 GLU 12 -11.538 5.631 -4.799
119 HB3 GLU 12 HB3 GLU 12 -9.836 6.586 -3.334
120 HB3 GLU 12 HB3 GLU 12 -12.586 6.308 -3.559
121 HG2 GLU 12 HG2 GLU 12 -10.377 5.326 -5.449
122 HG2 GLU 12 HG2 GLU 12 -10.916 7.529 -2.612
123 HG3 GLU 12 HG3 GLU 12 -12.012 5.964 -5.307
124 HG3 GLU 12 HG3 GLU 12 -9.659 6.392 -3.096
125 H LYS 13 H LYS 13 -10.470 2.841 -4.342
126 H LYS 13 H LYS 13 -10.713 2.952 -4.711
127 HA LYS 13 HA LYS 13 -7.888 2.266 -3.101
128 HA LYS 13 HA LYS 13 -8.168 2.329 -3.475
129 HB2 LYS 13 HB2 LYS 13 -9.332 0.363 -3.329
130 HB2 LYS 13 HB2 LYS 13 -9.628 0.612 -4.595
131 HB3 LYS 13 HB3 LYS 13 -9.617 0.712 -5.029
132 HB3 LYS 13 HB3 LYS 13 -9.237 1.372 -6.134
133 HG2 LYS 13 HG2 LYS 13 -6.811 0.423 -4.597
134 HG2 LYS 13 HG2 LYS 13 -6.890 0.857 -5.819
135 HG3 LYS 13 HG3 LYS 13 -7.656 -0.959 -3.896
136 HG3 LYS 13 HG3 LYS 13 -7.237 0.158 -4.237
137 HD2 LYS 13 HD2 LYS 13 -8.636 -0.158 -6.539
138 HD2 LYS 13 HD2 LYS 13 -8.694 -0.889 -6.615
139 HD3 LYS 13 HD3 LYS 13 -6.959 -0.712 -6.524
140 HD3 LYS 13 HD3 LYS 13 -7.010 -1.361 -6.379
141 HE2 LYS 13 HE2 LYS 13 -9.060 -2.290 -5.098
142 HE2 LYS 13 HE2 LYS 13 -9.018 -1.585 -4.162
143 HE3 LYS 13 HE3 LYS 13 -8.909 -2.420 -6.850
144 HE3 LYS 13 HE3 LYS 13 -8.859 -2.850 -5.379
145 HZ1 LYS 13 HZ1 LYS 13 -7.393 -3.969 -6.382
146 HZ1 LYS 13 HZ1 LYS 13 -7.517 -3.313 -3.419
147 HZ2 LYS 13 HZ2 LYS 13 -7.201 -3.460 -4.779
148 HZ2 LYS 13 HZ2 LYS 13 -6.670 -1.863 -3.629
149 HZ3 LYS 13 HZ3 LYS 13 -6.357 -2.680 -6.020
150 HZ3 LYS 13 HZ3 LYS 13 -6.537 -3.097 -4.780
151 H ARG 14 H ARG 14 -6.320 3.529 -3.923
152 H ARG 14 H ARG 14 -6.231 3.117 -4.042
153 HA ARG 14 HA ARG 14 -6.102 3.707 -6.856
154 HA ARG 14 HA ARG 14 -6.060 4.740 -6.495
155 HB2 ARG 14 HB2 ARG 14 -4.663 5.612 -5.061
156 HB2 ARG 14 HB2 ARG 14 -5.083 5.347 -3.721
157 HB3 ARG 14 HB3 ARG 14 -5.271 5.855 -6.694
158 HB3 ARG 14 HB3 ARG 14 -4.297 6.063 -5.123
159 HG2 ARG 14 HG2 ARG 14 -7.598 5.535 -5.433
160 HG2 ARG 14 HG2 ARG 14 -7.203 6.322 -5.155
161 HG3 ARG 14 HG3 ARG 14 -6.637 6.160 -4.091
162 HG3 ARG 14 HG3 ARG 14 -6.429 7.118 -3.784
163 HD2 ARG 14 HD2 ARG 14 -7.271 7.457 -6.722
164 HD2 ARG 14 HD2 ARG 14 -6.693 8.571 -5.790
165 HD3 ARG 14 HD3 ARG 14 -7.566 8.063 -5.090
166 HD3 ARG 14 HD3 ARG 14 -5.029 8.403 -5.236
167 HE ARG 14 HE ARG 14 -4.885 7.912 -5.167
168 HE ARG 14 HE ARG 14 -5.380 6.460 -7.153
169 HH11 ARG 14 HH11 ARG 14 -7.213 9.291 -7.357
170 HH11 ARG 14 HH11 ARG 14 -5.610 9.930 -7.001
171 HH12 ARG 14 HH12 ARG 14 -6.141 10.530 -7.923
172 HH12 ARG 14 HH12 ARG 14 -5.162 10.163 -8.658
173 HH21 ARG 14 HH21 ARG 14 -3.465 9.538 -5.904
174 HH21 ARG 14 HH21 ARG 14 -4.788 6.753 -9.336
175 HH22 ARG 14 HH22 ARG 14 -4.010 10.668 -7.096
176 HH22 ARG 14 HH22 ARG 14 -4.696 8.355 -9.987
177 H MET 15 H MET 15 -3.745 4.108 -7.550
178 H MET 15 H MET 15 -3.802 5.024 -7.278
179 HA MET 15 HA MET 15 -1.974 2.333 -6.003
180 HA MET 15 HA MET 15 -2.051 2.778 -6.557
181 HB2 MET 15 HB2 MET 15 -2.632 1.136 -7.966
182 HB2 MET 15 HB2 MET 15 -3.324 2.159 -8.577
183 HB3 MET 15 HB3 MET 15 -2.337 2.532 -8.992
184 HB3 MET 15 HB3 MET 15 -2.733 3.605 -9.385
185 HG2 MET 15 HG2 MET 15 -0.019 2.309 -8.830
186 HG2 MET 15 HG2 MET 15 -0.558 2.039 -8.320
187 HG3 MET 15 HG3 MET 15 -0.132 1.251 -7.425
188 HG3 MET 15 HG3 MET 15 -1.575 1.084 -9.395
189 HE1 MET 15 HE1 MET 15 -0.076 0.533 -11.744
190 HE1 MET 15 HE1 MET 15 1.208 1.884 -11.912
191 HE2 MET 15 HE2 MET 15 0.606 1.765 -10.680
192 HE2 MET 15 HE2 MET 15 1.221 1.221 -10.278
193 HE3 MET 15 HE3 MET 15 1.402 0.198 -10.840
194 HE3 MET 15 HE3 MET 15 -0.005 0.697 -11.434
195 H SER 16 H SER 16 0.230 2.843 -5.958
196 H SER 16 H SER 16 -0.004 3.371 -6.237
197 HA SER 16 HA SER 16 0.852 5.587 -5.922
198 HA SER 16 HA SER 16 0.780 6.087 -6.432
199 HB2 SER 16 HB2 SER 16 1.990 3.473 -4.775
200 HB2 SER 16 HB2 SER 16 1.653 4.078 -4.919
201 HB3 SER 16 HB3 SER 16 3.050 3.586 -6.179
202 HB3 SER 16 HB3 SER 16 2.845 3.946 -6.210
203 HG SER 16 HG SER 16 3.767 4.817 -4.344
204 HG SER 16 HG SER 16 2.345 6.491 -5.204
205 H ARG 17 H ARG 17 1.956 6.901 -7.319
206 H ARG 17 H ARG 17 2.019 7.153 -7.901
207 HA ARG 17 HA ARG 17 1.893 6.155 -10.095
208 HA ARG 17 HA ARG 17 2.428 5.807 -10.462
209 HB2 ARG 17 HB2 ARG 17 2.382 8.637 -8.544
210 HB2 ARG 17 HB2 ARG 17 2.817 8.742 -9.899
211 HB3 ARG 17 HB3 ARG 17 3.120 8.546 -10.137
212 HB3 ARG 17 HB3 ARG 17 2.534 7.961 -11.449
213 HG2 ARG 17 HG2 ARG 17 0.867 8.009 -11.067
214 HG2 ARG 17 HG2 ARG 17 0.259 7.451 -10.827
215 HG3 ARG 17 HG3 ARG 17 0.198 8.338 -9.467
216 HG3 ARG 17 HG3 ARG 17 0.528 8.103 -9.210
217 HD2 ARG 17 HD2 ARG 17 -0.005 10.293 -10.896
218 HD2 ARG 17 HD2 ARG 17 -0.660 9.620 -10.854
219 HD3 ARG 17 HD3 ARG 17 1.105 10.612 -9.564
220 HD3 ARG 17 HD3 ARG 17 0.731 10.305 -10.019
221 HE ARG 17 HE ARG 17 2.736 9.802 -11.576
222 HE ARG 17 HE ARG 17 1.387 9.141 -12.559
223 HH11 ARG 17 HH11 ARG 17 0.269 12.243 -11.295
224 HH11 ARG 17 HH11 ARG 17 0.226 11.998 -10.944
225 HH12 ARG 17 HH12 ARG 17 1.005 13.306 -12.450
226 HH12 ARG 17 HH12 ARG 17 0.741 13.075 -12.200
227 HH21 ARG 17 HH21 ARG 17 3.714 11.193 -13.096
228 HH21 ARG 17 HH21 ARG 17 2.066 10.549 -14.220
229 HH22 ARG 17 HH22 ARG 17 2.965 12.706 -13.473
230 HH22 ARG 17 HH22 ARG 17 1.786 12.249 -14.065
231 H ASN 18 H ASN 18 4.516 7.518 -8.090
232 H ASN 18 H ASN 18 4.181 5.213 -8.250
233 HA ASN 18 HA ASN 18 6.565 6.756 -9.876
234 HA ASN 18 HA ASN 18 6.714 6.103 -9.445
235 HB2 ASN 18 HB2 ASN 18 7.016 7.183 -6.933
236 HB2 ASN 18 HB2 ASN 18 5.798 6.405 -6.652
237 HB3 ASN 18 HB3 ASN 18 8.076 7.587 -8.281
238 HB3 ASN 18 HB3 ASN 18 7.438 5.794 -6.847
239 HD21 ASN 18 HD21 ASN 18 6.386 8.921 -9.951
240 HD21 ASN 18 HD21 ASN 18 8.679 7.057 -8.622
241 HD22 ASN 18 HD22 ASN 18 5.850 10.380 -9.199
242 HD22 ASN 18 HD22 ASN 18 8.590 8.777 -8.486
243 H SER 19 H SER 19 5.123 5.189 -7.084
244 H SER 19 H SER 19 5.820 3.977 -6.735
245 HA SER 19 HA SER 19 6.930 2.899 -7.453
246 HA SER 19 HA SER 19 7.503 1.886 -7.892
247 HB2 SER 19 HB2 SER 19 5.526 2.383 -5.141
248 HB2 SER 19 HB2 SER 19 7.404 0.826 -5.707
249 HB3 SER 19 HB3 SER 19 7.127 3.122 -5.216
250 HB3 SER 19 HB3 SER 19 7.816 2.529 -5.505
251 HG SER 19 HG SER 19 6.096 4.658 -4.175
252 HG SER 19 HG SER 19 5.641 2.920 -4.961
253 H GLY 20 H GLY 20 5.653 0.799 -6.557
254 H GLY 20 H GLY 20 4.222 2.296 -6.571
255 HA2 GLY 20 HA2 GLY 20 3.138 0.683 -8.106
256 HA2 GLY 20 HA2 GLY 20 2.421 1.350 -8.008
257 HA3 GLY 20 HA3 GLY 20 4.322 -0.613 -8.122
258 HA3 GLY 20 HA3 GLY 20 3.423 -0.092 -8.121
259 H ARG 21 H ARG 21 2.841 1.312 -5.514
260 H ARG 21 H ARG 21 3.136 1.684 -5.137
261 HA ARG 21 HA ARG 21 2.035 -1.229 -4.255
262 HA ARG 21 HA ARG 21 2.104 -0.660 -3.813
263 HB2 ARG 21 HB2 ARG 21 2.186 0.085 -2.083
264 HB2 ARG 21 HB2 ARG 21 3.052 2.038 -2.935
265 HB3 ARG 21 HB3 ARG 21 3.711 -0.304 -2.869
266 HB3 ARG 21 HB3 ARG 21 2.097 1.061 -1.828
267 HG2 ARG 21 HG2 ARG 21 3.650 2.000 -3.879
268 HG2 ARG 21 HG2 ARG 21 3.768 -0.403 -1.467
269 HG3 ARG 21 HG3 ARG 21 2.291 2.343 -2.809
270 HG3 ARG 21 HG3 ARG 21 4.357 -0.310 -3.128
271 HD2 ARG 21 HD2 ARG 21 5.135 1.712 -2.086
272 HD2 ARG 21 HD2 ARG 21 5.892 0.619 -1.350
273 HD3 ARG 21 HD3 ARG 21 4.188 3.142 -1.674
274 HD3 ARG 21 HD3 ARG 21 5.533 1.692 -2.701
275 HE ARG 21 HE ARG 21 4.197 0.603 -0.305
276 HE ARG 21 HE ARG 21 4.508 3.122 -1.241
277 HH11 ARG 21 HH11 ARG 21 2.457 3.561 -0.892
278 HH11 ARG 21 HH11 ARG 21 4.863 0.010 0.281
279 HH12 ARG 21 HH12 ARG 21 1.538 3.464 0.573
280 HH12 ARG 21 HH12 ARG 21 4.330 0.564 1.834
281 HH21 ARG 21 HH21 ARG 21 2.993 0.463 1.625
282 HH21 ARG 21 HH21 ARG 21 3.806 3.862 0.799
283 HH22 ARG 21 HH22 ARG 21 1.843 1.702 2.005
284 HH22 ARG 21 HH22 ARG 21 3.728 2.755 2.128
285 H VAL 22 H VAL 22 -0.055 -1.482 -3.739
286 H VAL 22 H VAL 22 0.024 -1.135 -3.643
287 HA VAL 22 HA VAL 22 -1.928 0.579 -4.523
288 HA VAL 22 HA VAL 22 -2.010 0.791 -4.308
289 HB VAL 22 HB VAL 22 -2.392 -2.202 -3.436
290 HB VAL 22 HB VAL 22 -2.220 -2.071 -3.369
291 HG11 VAL 22 HG11 VAL 22 -4.350 -0.199 -4.556
292 HG11 VAL 22 HG11 VAL 22 -4.226 -0.874 -2.741
293 HG12 VAL 22 HG12 VAL 22 -4.719 -1.884 -4.187
294 HG12 VAL 22 HG12 VAL 22 -4.366 -0.200 -4.365
295 HG13 VAL 22 HG13 VAL 22 -4.271 -0.773 -2.891
296 HG13 VAL 22 HG13 VAL 22 -4.571 -1.932 -4.108
297 HG21 VAL 22 HG21 VAL 22 -3.084 -1.417 -6.210
298 HG21 VAL 22 HG21 VAL 22 -1.390 -1.090 -5.797
299 HG22 VAL 22 HG22 VAL 22 -1.375 -1.636 -5.831
300 HG22 VAL 22 HG22 VAL 22 -2.053 -2.699 -5.509
301 HG23 VAL 22 HG23 VAL 22 -2.510 -2.961 -5.577
302 HG23 VAL 22 HG23 VAL 22 -3.107 -1.398 -6.063
303 H TYR 23 H TYR 23 -3.344 1.664 -3.200
304 H TYR 23 H TYR 23 -3.430 1.795 -2.970
305 HA TYR 23 HA TYR 23 -3.357 1.144 -0.345
306 HA TYR 23 HA TYR 23 -3.528 1.101 -0.150
307 HB2 TYR 23 HB2 TYR 23 -2.777 3.486 0.223
308 HB2 TYR 23 HB2 TYR 23 -3.022 3.381 0.599
309 HB3 TYR 23 HB3 TYR 23 -1.445 2.630 -0.547
310 HB3 TYR 23 HB3 TYR 23 -1.658 2.683 -0.266
311 HD1 TYR 23 HD1 TYR 23 -0.479 3.434 -2.544
312 HD1 TYR 23 HD1 TYR 23 -1.059 3.491 -2.506
313 HD2 TYR 23 HD2 TYR 23 -4.140 5.100 -1.156
314 HD2 TYR 23 HD2 TYR 23 -4.217 5.277 -0.281
315 HE1 TYR 23 HE1 TYR 23 -0.296 5.218 -4.224
316 HE1 TYR 23 HE1 TYR 23 -1.012 5.436 -4.009
317 HE2 TYR 23 HE2 TYR 23 -3.969 6.889 -2.834
318 HE2 TYR 23 HE2 TYR 23 -4.178 7.227 -1.781
319 HH TYR 23 HH TYR 23 -2.660 7.853 -4.372
320 HH TYR 23 HH TYR 23 -3.467 7.782 -4.059
321 H TYR 24 H TYR 24 -4.875 2.722 0.783
322 H TYR 24 H TYR 24 -5.014 2.928 0.949
323 HA TYR 24 HA TYR 24 -7.154 3.273 -0.999
324 HA TYR 24 HA TYR 24 -7.267 3.451 -0.866
325 HB2 TYR 24 HB2 TYR 24 -7.177 2.571 1.942
326 HB2 TYR 24 HB2 TYR 24 -7.662 2.590 1.991
327 HB3 TYR 24 HB3 TYR 24 -8.600 2.918 0.965
328 HB3 TYR 24 HB3 TYR 24 -8.849 2.644 0.694
329 HD1 TYR 24 HD1 TYR 24 -6.251 0.407 2.007
330 HD1 TYR 24 HD1 TYR 24 -6.767 0.542 2.571
331 HD2 TYR 24 HD2 TYR 24 -9.150 1.364 -0.956
332 HD2 TYR 24 HD2 TYR 24 -8.278 1.079 -1.371
333 HE1 TYR 24 HE1 TYR 24 -6.400 -1.971 1.392
334 HE1 TYR 24 HE1 TYR 24 -6.337 -1.831 2.087
335 HE2 TYR 24 HE2 TYR 24 -9.307 -1.009 -1.578
336 HE2 TYR 24 HE2 TYR 24 -7.855 -1.292 -1.863
337 HH TYR 24 HH TYR 24 -7.890 -3.047 -1.432
338 HH TYR 24 HH TYR 24 -5.936 -3.259 0.081
339 H PHE 25 H PHE 25 -8.440 5.128 -0.574
340 H PHE 25 H PHE 25 -8.146 5.429 -0.719
341 HA PHE 25 HA PHE 25 -7.187 7.160 1.140
342 HA PHE 25 HA PHE 25 -7.440 7.097 1.599
343 HB2 PHE 25 HB2 PHE 25 -6.539 7.530 -1.237
344 HB2 PHE 25 HB2 PHE 25 -5.991 7.871 -0.120
345 HB3 PHE 25 HB3 PHE 25 -8.243 7.682 -1.645
346 HB3 PHE 25 HB3 PHE 25 -7.272 7.810 -1.327
347 HD1 PHE 25 HD1 PHE 25 -9.195 9.778 -1.681
348 HD1 PHE 25 HD1 PHE 25 -8.946 9.552 -1.457
349 HD2 PHE 25 HD2 PHE 25 -5.693 9.134 0.651
350 HD2 PHE 25 HD2 PHE 25 -5.834 9.700 1.445
351 HE1 PHE 25 HE1 PHE 25 -9.104 12.181 -1.164
352 HE1 PHE 25 HE1 PHE 25 -9.455 11.924 -1.038
353 HE2 PHE 25 HE2 PHE 25 -5.596 11.537 1.172
354 HE2 PHE 25 HE2 PHE 25 -6.337 12.071 1.868
355 HZ PHE 25 HZ PHE 25 -7.304 13.063 0.265
356 HZ PHE 25 HZ PHE 25 -8.150 13.185 0.628
357 H ASN 26 H ASN 26 -8.572 8.259 2.393
358 H ASN 26 H ASN 26 -9.031 8.394 2.388
359 HA ASN 26 HA ASN 26 -11.432 7.720 2.043
360 HA ASN 26 HA ASN 26 -11.681 8.069 1.173
361 HB2 ASN 26 HB2 ASN 26 -10.386 7.165 4.230
362 HB2 ASN 26 HB2 ASN 26 -11.162 7.442 3.628
363 HB3 ASN 26 HB3 ASN 26 -9.985 8.866 4.442
364 HB3 ASN 26 HB3 ASN 26 -11.172 9.178 3.922
365 HD21 ASN 26 HD21 ASN 26 -11.433 7.690 6.350
366 HD21 ASN 26 HD21 ASN 26 -12.962 6.887 4.718
367 HD22 ASN 26 HD22 ASN 26 -13.075 8.222 6.303
368 HD22 ASN 26 HD22 ASN 26 -14.551 7.429 4.311
369 H HIS 27 H HIS 27 -12.038 9.222 0.518
370 H HIS 27 H HIS 27 -12.759 9.745 0.331
371 HA HIS 27 HA HIS 27 -11.290 11.982 0.710
372 HA HIS 27 HA HIS 27 -11.435 12.306 0.167
373 HB2 HIS 27 HB2 HIS 27 -12.544 12.312 -1.260
374 HB2 HIS 27 HB2 HIS 27 -13.390 12.899 -1.295
375 HB3 HIS 27 HB3 HIS 27 -11.881 10.690 -1.421
376 HB3 HIS 27 HB3 HIS 27 -12.465 11.505 -1.844
377 HD1 HIS 27 HD1 HIS 27 -14.959 12.495 -1.739
378 HD1 HIS 27 HD1 HIS 27 -15.760 12.415 -0.277
379 HD2 HIS 27 HD2 HIS 27 -13.903 8.650 -0.572
380 HD2 HIS 27 HD2 HIS 27 -13.867 9.122 -1.957
381 HE1 HIS 27 HE1 HIS 27 -17.060 11.129 -1.941
382 HE1 HIS 27 HE1 HIS 27 -17.553 10.671 -0.543
383 H ILE 28 H ILE 28 -13.491 10.101 2.360
384 H ILE 28 H ILE 28 -13.764 10.858 2.171
385 HA ILE 28 HA ILE 28 -15.505 12.171 2.690
386 HA ILE 28 HA ILE 28 -15.087 13.334 2.894
387 HB ILE 28 HB ILE 28 -15.247 9.339 3.611
388 HB ILE 28 HB ILE 28 -15.338 10.558 4.054
389 HG12 ILE 28 HG12 ILE 28 -16.316 10.001 1.428
390 HG12 ILE 28 HG12 ILE 28 -17.113 12.135 2.179
391 HG13 ILE 28 HG13 ILE 28 -17.352 9.067 2.502
392 HG13 ILE 28 HG13 ILE 28 -16.168 10.707 1.767
393 HG21 ILE 28 HG21 ILE 28 -17.497 9.872 4.832
394 HG21 ILE 28 HG21 ILE 28 -17.339 11.421 5.187
395 HG22 ILE 28 HG22 ILE 28 -15.957 10.147 5.642
396 HG22 ILE 28 HG22 ILE 28 -15.872 12.235 5.725
397 HG23 ILE 28 HG23 ILE 28 -16.828 11.500 4.921
398 HG23 ILE 28 HG23 ILE 28 -16.963 13.039 4.598
399 HD11 ILE 28 HD11 ILE 28 -17.676 11.881 2.981
400 HD11 ILE 28 HD11 ILE 28 -17.532 9.401 3.356
401 HD12 ILE 28 HD12 ILE 28 -17.933 11.495 1.279
402 HD12 ILE 28 HD12 ILE 28 -18.521 10.834 3.633
403 HD13 ILE 28 HD13 ILE 28 -18.874 10.670 2.521
404 HD13 ILE 28 HD13 ILE 28 -18.468 10.095 2.033
405 H THR 29 H THR 29 -12.834 10.747 4.456
406 H THR 29 H THR 29 -12.850 11.016 4.373
407 HA THR 29 HA THR 29 -13.282 12.704 6.616
408 HA THR 29 HA THR 29 -12.500 12.779 6.676
409 HB THR 29 HB THR 29 -11.708 10.177 7.014
410 HB THR 29 HB THR 29 -11.341 11.000 7.747
411 HG1 THR 29 HG1 THR 29 -13.893 9.559 8.037
412 HG1 THR 29 HG1 THR 29 -10.755 9.101 6.578
413 HG21 THR 29 HG21 THR 29 -11.415 11.761 8.758
414 HG21 THR 29 HG21 THR 29 -12.951 9.208 7.716
415 HG22 THR 29 HG22 THR 29 -12.549 10.556 9.370
416 HG22 THR 29 HG22 THR 29 -13.537 9.707 6.130
417 HG23 THR 29 HG23 THR 29 -13.139 12.121 8.813
418 HG23 THR 29 HG23 THR 29 -13.809 10.738 7.533
419 H ASN 30 H ASN 30 -11.628 12.613 3.999
420 H ASN 30 H ASN 30 -10.961 11.929 3.722
421 HA ASN 30 HA ASN 30 -9.558 13.233 3.257
422 HA ASN 30 HA ASN 30 -9.049 12.636 2.713
423 HB2 ASN 30 HB2 ASN 30 -10.326 14.999 5.463
424 HB2 ASN 30 HB2 ASN 30 -9.958 14.852 3.706
425 HB3 ASN 30 HB3 ASN 30 -8.589 14.964 5.173
426 HB3 ASN 30 HB3 ASN 30 -8.678 14.665 4.901
427 HD21 ASN 30 HD21 ASN 30 -7.954 15.203 2.843
428 HD21 ASN 30 HD21 ASN 30 -6.481 14.188 3.908
429 HD22 ASN 30 HD22 ASN 30 -8.828 16.365 1.911
430 HD22 ASN 30 HD22 ASN 30 -6.047 15.137 2.532
431 H ALA 31 H ALA 31 -9.625 10.841 4.901
432 H ALA 31 H ALA 31 -8.445 10.445 3.774
433 HA ALA 31 HA ALA 31 -6.988 10.971 6.204
434 HA ALA 31 HA ALA 31 -5.813 10.798 4.925
435 HB1 ALA 31 HB1 ALA 31 -8.907 10.237 7.602
436 HB1 ALA 31 HB1 ALA 31 -7.579 8.923 6.426
437 HB2 ALA 31 HB2 ALA 31 -9.099 8.845 6.535
438 HB2 ALA 31 HB2 ALA 31 -6.122 9.766 6.953
439 HB3 ALA 31 HB3 ALA 31 -7.620 9.037 7.475
440 HB3 ALA 31 HB3 ALA 31 -7.641 10.648 6.793
441 H SER 32 H SER 32 -5.668 8.955 6.018
442 H SER 32 H SER 32 -4.490 8.944 4.742
443 HA SER 32 HA SER 32 -6.107 7.292 3.703
444 HA SER 32 HA SER 32 -5.586 6.878 2.949
445 HB2 SER 32 HB2 SER 32 -4.978 9.567 2.998
446 HB2 SER 32 HB2 SER 32 -2.912 6.692 2.543
447 HB3 SER 32 HB3 SER 32 -3.525 8.810 3.651
448 HB3 SER 32 HB3 SER 32 -3.975 7.714 1.576
449 HG SER 32 HG SER 32 -3.698 7.194 2.157
450 HG SER 32 HG SER 32 -2.273 8.444 3.704
451 H GLN 33 H GLN 33 -5.162 5.348 3.949
452 H GLN 33 H GLN 33 -5.156 4.740 3.360
453 HA GLN 33 HA GLN 33 -2.813 5.003 5.589
454 HA GLN 33 HA GLN 33 -3.439 4.032 5.603
455 HB2 GLN 33 HB2 GLN 33 -3.913 3.340 7.089
456 HB2 GLN 33 HB2 GLN 33 -5.661 4.424 6.603
457 HB3 GLN 33 HB3 GLN 33 -4.461 4.993 7.338
458 HB3 GLN 33 HB3 GLN 33 -6.355 3.240 5.504
459 HG2 GLN 33 HG2 GLN 33 -6.556 4.563 6.589
460 HG2 GLN 33 HG2 GLN 33 -5.121 1.468 6.521
461 HG3 GLN 33 HG3 GLN 33 -6.017 3.321 5.458
462 HG3 GLN 33 HG3 GLN 33 -4.196 2.607 7.499
463 HE21 GLN 33 HE21 GLN 33 -8.169 2.641 6.713
464 HE21 GLN 33 HE21 GLN 33 -5.740 4.138 8.779
465 HE22 GLN 33 HE22 GLN 33 -7.877 1.537 8.010
466 HE22 GLN 33 HE22 GLN 33 -6.983 3.325 9.665
467 H PHE 34 H PHE 34 -1.979 2.807 5.514
468 H PHE 34 H PHE 34 -2.409 2.148 5.286
469 HA PHE 34 HA PHE 34 -2.459 1.611 2.930
470 HA PHE 34 HA PHE 34 -2.799 0.772 2.793
471 HB2 PHE 34 HB2 PHE 34 -0.603 0.565 5.064
472 HB2 PHE 34 HB2 PHE 34 -0.940 0.095 5.080
473 HB3 PHE 34 HB3 PHE 34 -0.503 0.322 3.325
474 HB3 PHE 34 HB3 PHE 34 -0.853 -0.544 3.440
475 HD1 PHE 34 HD1 PHE 34 1.342 1.642 5.676
476 HD1 PHE 34 HD1 PHE 34 0.775 1.535 5.529
477 HD2 PHE 34 HD2 PHE 34 -0.829 3.025 2.286
478 HD2 PHE 34 HD2 PHE 34 -1.023 1.620 1.671
479 HE1 PHE 34 HE1 PHE 34 2.854 3.577 5.502
480 HE1 PHE 34 HE1 PHE 34 2.246 3.401 4.889
481 HE2 PHE 34 HE2 PHE 34 0.680 4.962 2.105
482 HE2 PHE 34 HE2 PHE 34 0.444 3.484 1.024
483 HZ PHE 34 HZ PHE 34 2.525 5.238 3.713
484 HZ PHE 34 HZ PHE 34 2.083 4.377 2.632
485 H GLU 35 H GLU 35 -3.188 0.927 6.270
486 H GLU 35 H GLU 35 -3.483 0.169 6.177
487 HA GLU 35 HA GLU 35 -3.895 -1.808 5.899
488 HA GLU 35 HA GLU 35 -4.203 -2.581 5.799
489 HB2 GLU 35 HB2 GLU 35 -3.319 -0.498 8.085
490 HB2 GLU 35 HB2 GLU 35 -4.850 -0.738 8.106
491 HB3 GLU 35 HB3 GLU 35 -5.033 -0.111 8.091
492 HB3 GLU 35 HB3 GLU 35 -4.975 -2.491 8.113
493 HG2 GLU 35 HG2 GLU 35 -4.591 -2.038 9.479
494 HG2 GLU 35 HG2 GLU 35 -2.331 -1.569 7.345
495 HG3 GLU 35 HG3 GLU 35 -5.577 -2.490 8.089
496 HG3 GLU 35 HG3 GLU 35 -2.816 -1.006 8.944
497 H ARG 36 H ARG 36 -5.770 -2.706 5.275
498 H ARG 36 H ARG 36 -6.156 -3.450 5.382
499 HA ARG 36 HA ARG 36 -7.715 -1.215 3.924
500 HA ARG 36 HA ARG 36 -8.175 -1.924 4.193
501 HB2 ARG 36 HB2 ARG 36 -7.367 -3.546 3.406
502 HB2 ARG 36 HB2 ARG 36 -7.840 -4.334 3.778
503 HB3 ARG 36 HB3 ARG 36 -7.822 -4.020 5.037
504 HB3 ARG 36 HB3 ARG 36 -8.396 -4.681 5.410
505 HG2 ARG 36 HG2 ARG 36 -10.098 -3.100 4.586
506 HG2 ARG 36 HG2 ARG 36 -10.533 -3.394 4.653
507 HG3 ARG 36 HG3 ARG 36 -9.603 -2.865 2.908
508 HG3 ARG 36 HG3 ARG 36 -9.945 -3.773 3.033
509 HD2 ARG 36 HD2 ARG 36 -9.589 -5.102 2.455
510 HD2 ARG 36 HD2 ARG 36 -10.450 -5.955 3.230
511 HD3 ARG 36 HD3 ARG 36 -9.180 -5.544 4.112
512 HD3 ARG 36 HD3 ARG 36 -9.900 -6.030 4.904
513 HE ARG 36 HE ARG 36 -11.816 -5.211 3.000
514 HE ARG 36 HE ARG 36 -12.395 -4.636 4.531
515 HH11 ARG 36 HH11 ARG 36 -9.901 -5.248 5.908
516 HH11 ARG 36 HH11 ARG 36 -10.858 -7.706 5.110
517 HH12 ARG 36 HH12 ARG 36 -11.238 -5.633 6.941
518 HH12 ARG 36 HH12 ARG 36 -12.264 -8.421 5.829
519 HH21 ARG 36 HH21 ARG 36 -13.584 -5.717 4.349
520 HH21 ARG 36 HH21 ARG 36 -14.251 -5.565 5.478
521 HH22 ARG 36 HH22 ARG 36 -13.334 -5.901 6.052
522 HH22 ARG 36 HH22 ARG 36 -14.192 -7.201 6.039
523 HA PRO 37 HA PRO 37 -10.224 0.313 7.218
524 HA PRO 37 HA PRO 37 -9.949 -0.302 7.980
525 HB2 PRO 37 HB2 PRO 37 -12.429 0.926 5.760
526 HB2 PRO 37 HB2 PRO 37 -11.702 1.351 6.730
527 HB3 PRO 37 HB3 PRO 37 -10.950 1.892 5.717
528 HB3 PRO 37 HB3 PRO 37 -9.991 1.739 6.926
529 HG2 PRO 37 HG2 PRO 37 -11.909 -0.188 3.790
530 HG2 PRO 37 HG2 PRO 37 -11.418 0.629 4.542
531 HG3 PRO 37 HG3 PRO 37 -11.172 1.389 3.458
532 HG3 PRO 37 HG3 PRO 37 -10.177 1.894 4.613
533 HD2 PRO 37 HD2 PRO 37 -9.774 -0.928 3.337
534 HD2 PRO 37 HD2 PRO 37 -9.616 -0.660 3.909
535 HD3 PRO 37 HD3 PRO 37 -9.036 0.610 3.831
536 HD3 PRO 37 HD3 PRO 37 -8.456 0.370 4.772
537 H SER 38 H SER 38 -11.913 -0.338 8.532
538 H SER 38 H SER 38 -11.940 -0.504 9.049
539 HA SER 38 HA SER 38 -12.752 -3.069 8.239
540 HA SER 38 HA SER 38 -13.718 -2.518 7.878
541 HB2 SER 38 HB2 SER 38 -14.017 -2.568 10.388
542 HB2 SER 38 HB2 SER 38 -12.715 -2.946 10.123
543 HB3 SER 38 HB3 SER 38 -12.267 -2.356 10.460
544 HB3 SER 38 HB3 SER 38 -13.587 -1.545 10.742
545 HG SER 38 HG SER 38 -12.748 -0.430 11.147
546 HG SER 38 HG SER 38 -15.445 -2.610 10.600
547 H GLY 39 H GLY 39 -14.594 -0.037 8.667
548 H GLY 39 H GLY 39 -16.085 -2.284 8.654
549 HA2 GLY 39 HA2 GLY 39 -16.449 0.649 7.396
550 HA2 GLY 39 HA2 GLY 39 -17.403 -0.045 9.362
551 HA3 GLY 39 HA3 GLY 39 -16.526 -0.957 6.685
552 HA3 GLY 39 HA3 GLY 39 -17.010 0.281 7.682
Start of MODEL 20
1 H1 SER 5 H SER 5 -11.928 -6.555 -4.178
2 H1 SER 5 H SER 5 -14.095 -6.509 -5.602
3 HA SER 5 HA SER 5 -12.274 -4.246 -4.105
4 HA SER 5 HA SER 5 -13.463 -4.005 -4.485
5 HB2 SER 5 HB2 SER 5 -13.737 -3.126 -5.721
6 HB2 SER 5 HB2 SER 5 -14.046 -4.282 -6.854
7 HB3 SER 5 HB3 SER 5 -12.556 -4.139 -6.555
8 HB3 SER 5 HB3 SER 5 -15.692 -4.729 -6.404
9 HG SER 5 HG SER 5 -14.110 -5.406 -7.238
10 HG SER 5 HG SER 5 -14.566 -2.263 -6.629
11 H LYS 6 H LYS 6 -13.094 -4.818 -2.050
12 H LYS 6 H LYS 6 -14.576 -5.693 -2.487
13 HA LYS 6 HA LYS 6 -16.008 -4.546 -1.861
14 HA LYS 6 HA LYS 6 -17.192 -4.504 -1.920
15 HB2 LYS 6 HB2 LYS 6 -14.402 -6.549 -0.265
16 HB2 LYS 6 HB2 LYS 6 -17.300 -6.180 -0.091
17 HB3 LYS 6 HB3 LYS 6 -16.136 -6.275 -0.152
18 HB3 LYS 6 HB3 LYS 6 -17.102 -6.905 -1.682
19 HG2 LYS 6 HG2 LYS 6 -16.530 -7.214 -2.270
20 HG2 LYS 6 HG2 LYS 6 -14.767 -7.301 -1.267
21 HG3 LYS 6 HG3 LYS 6 -14.821 -7.153 -2.704
22 HG3 LYS 6 HG3 LYS 6 -14.859 -6.440 0.271
23 HD2 LYS 6 HD2 LYS 6 -14.549 -9.213 -1.915
24 HD2 LYS 6 HD2 LYS 6 -15.137 -8.512 1.118
25 HD3 LYS 6 HD3 LYS 6 -15.060 -8.667 -0.316
26 HD3 LYS 6 HD3 LYS 6 -16.813 -8.276 0.615
27 HE2 LYS 6 HE2 LYS 6 -17.225 -9.107 -2.262
28 HE2 LYS 6 HE2 LYS 6 -15.901 -9.229 -1.666
29 HE3 LYS 6 HE3 LYS 6 -16.347 -10.553 -1.769
30 HE3 LYS 6 HE3 LYS 6 -14.662 -9.926 -0.622
31 HZ1 LYS 6 HZ1 LYS 6 -17.414 -10.548 0.155
32 HZ1 LYS 6 HZ1 LYS 6 -16.085 -11.534 -0.144
33 HZ2 LYS 6 HZ2 LYS 6 -18.354 -9.249 -0.379
34 HZ2 LYS 6 HZ2 LYS 6 -17.318 -10.788 -1.030
35 HZ3 LYS 6 HZ3 LYS 6 -16.931 -8.962 0.489
36 HZ3 LYS 6 HZ3 LYS 6 -17.101 -10.405 0.604
37 H LEU 7 H LEU 7 -15.663 -2.390 -1.231
38 H LEU 7 H LEU 7 -15.301 -2.615 -1.761
39 HA LEU 7 HA LEU 7 -14.657 -2.110 1.519
40 HA LEU 7 HA LEU 7 -14.209 -2.407 0.895
41 HB2 LEU 7 HB2 LEU 7 -14.396 0.253 -0.204
42 HB2 LEU 7 HB2 LEU 7 -14.129 -0.827 -1.599
43 HB3 LEU 7 HB3 LEU 7 -13.305 -0.381 1.026
44 HB3 LEU 7 HB3 LEU 7 -13.935 0.077 -0.098
45 HG LEU 7 HG LEU 7 -13.551 -1.474 -1.774
46 HG LEU 7 HG LEU 7 -11.975 -1.189 0.476
47 HD11 LEU 7 HD11 LEU 7 -11.314 0.194 -0.660
48 HD11 LEU 7 HD11 LEU 7 -12.005 -3.333 -0.175
49 HD12 LEU 7 HD12 LEU 7 -12.647 0.872 -1.593
50 HD12 LEU 7 HD12 LEU 7 -11.244 -2.724 -1.644
51 HD13 LEU 7 HD13 LEU 7 -11.570 -0.314 -2.329
52 HD13 LEU 7 HD13 LEU 7 -12.987 -2.995 -1.601
53 HD21 LEU 7 HD21 LEU 7 -12.503 -3.226 -0.880
54 HD21 LEU 7 HD21 LEU 7 -11.283 0.591 -0.799
55 HD22 LEU 7 HD22 LEU 7 -12.229 -2.382 0.646
56 HD22 LEU 7 HD22 LEU 7 -12.126 0.026 -2.243
57 HD23 LEU 7 HD23 LEU 7 -11.103 -2.167 -0.698
58 HD23 LEU 7 HD23 LEU 7 -10.629 -0.757 -1.732
59 HA PRO 8 HA PRO 8 -18.449 -0.105 2.453
60 HA PRO 8 HA PRO 8 -17.515 -0.364 2.934
61 HB2 PRO 8 HB2 PRO 8 -17.658 1.677 4.343
62 HB2 PRO 8 HB2 PRO 8 -16.166 1.314 4.586
63 HB3 PRO 8 HB3 PRO 8 -17.753 -0.062 4.642
64 HB3 PRO 8 HB3 PRO 8 -16.231 -0.434 4.837
65 HG2 PRO 8 HG2 PRO 8 -15.364 1.620 3.988
66 HG2 PRO 8 HG2 PRO 8 -14.069 1.223 3.596
67 HG3 PRO 8 HG3 PRO 8 -15.524 0.322 5.186
68 HG3 PRO 8 HG3 PRO 8 -13.929 -0.123 4.742
69 HD2 PRO 8 HD2 PRO 8 -14.361 -0.061 2.769
70 HD2 PRO 8 HD2 PRO 8 -13.507 -0.423 2.083
71 HD3 PRO 8 HD3 PRO 8 -15.267 -1.338 3.607
72 HD3 PRO 8 HD3 PRO 8 -14.182 -1.717 3.095
73 HA PRO 9 HA PRO 9 -18.974 3.697 0.307
74 HA PRO 9 HA PRO 9 -18.494 3.529 1.139
75 HB2 PRO 9 HB2 PRO 9 -20.763 5.041 1.846
76 HB2 PRO 9 HB2 PRO 9 -19.785 4.820 3.147
77 HB3 PRO 9 HB3 PRO 9 -21.198 3.626 0.880
78 HB3 PRO 9 HB3 PRO 9 -20.493 3.457 2.271
79 HG2 PRO 9 HG2 PRO 9 -20.586 3.807 3.804
80 HG2 PRO 9 HG2 PRO 9 -19.134 3.494 4.937
81 HG3 PRO 9 HG3 PRO 9 -21.873 2.903 2.984
82 HG3 PRO 9 HG3 PRO 9 -20.611 2.645 4.445
83 HD2 PRO 9 HD2 PRO 9 -19.592 1.728 3.848
84 HD2 PRO 9 HD2 PRO 9 -18.210 1.406 4.631
85 HD3 PRO 9 HD3 PRO 9 -20.463 1.175 2.402
86 HD3 PRO 9 HD3 PRO 9 -19.441 0.929 3.443
87 H GLY 10 H GLY 10 -17.032 4.789 0.363
88 H GLY 10 H GLY 10 -17.477 5.412 0.744
89 HA2 GLY 10 HA2 GLY 10 -16.682 7.245 1.258
90 HA2 GLY 10 HA2 GLY 10 -16.307 7.375 1.167
91 HA3 GLY 10 HA3 GLY 10 -16.361 6.355 2.739
92 HA3 GLY 10 HA3 GLY 10 -16.266 6.951 2.872
93 H TRP 11 H TRP 11 -15.098 4.113 1.394
94 H TRP 11 H TRP 11 -15.141 4.991 0.155
95 HA TRP 11 HA TRP 11 -12.495 5.369 0.928
96 HA TRP 11 HA TRP 11 -12.363 5.534 0.846
97 HB2 TRP 11 HB2 TRP 11 -13.338 2.568 1.653
98 HB2 TRP 11 HB2 TRP 11 -13.670 2.828 1.116
99 HB3 TRP 11 HB3 TRP 11 -11.697 2.937 1.123
100 HB3 TRP 11 HB3 TRP 11 -11.930 3.016 0.910
101 HD1 TRP 11 HD1 TRP 11 -13.911 3.014 4.143
102 HD1 TRP 11 HD1 TRP 11 -14.710 3.472 3.470
103 HE1 TRP 11 HE1 TRP 11 -12.618 3.987 6.145
104 HE1 TRP 11 HE1 TRP 11 -13.654 3.931 5.773
105 HE3 TRP 11 HE3 TRP 11 -9.808 4.804 1.673
106 HE3 TRP 11 HE3 TRP 11 -9.839 4.060 2.031
107 HZ2 TRP 11 HZ2 TRP 11 -10.182 5.333 6.616
108 HZ2 TRP 11 HZ2 TRP 11 -11.098 4.471 6.838
109 HZ3 TRP 11 HZ3 TRP 11 -8.042 5.920 2.971
110 HZ3 TRP 11 HZ3 TRP 11 -8.150 4.547 3.755
111 HH2 TRP 11 HH2 TRP 11 -8.228 6.179 5.392
112 HH2 TRP 11 HH2 TRP 11 -8.769 4.750 6.107
113 H GLU 12 H GLU 12 -11.450 5.301 -0.978
114 H GLU 12 H GLU 12 -10.922 5.141 -0.816
115 HA GLU 12 HA GLU 12 -12.681 3.731 -3.147
116 HA GLU 12 HA GLU 12 -12.003 4.004 -3.297
117 HB2 GLU 12 HB2 GLU 12 -12.445 5.475 -4.648
118 HB2 GLU 12 HB2 GLU 12 -10.440 6.587 -3.145
119 HB3 GLU 12 HB3 GLU 12 -12.849 6.336 -3.170
120 HB3 GLU 12 HB3 GLU 12 -11.015 5.807 -4.613
121 HG2 GLU 12 HG2 GLU 12 -10.161 6.281 -2.978
122 HG2 GLU 12 HG2 GLU 12 -13.181 6.441 -4.273
123 HG3 GLU 12 HG3 GLU 12 -10.361 6.318 -4.729
124 HG3 GLU 12 HG3 GLU 12 -13.002 6.512 -2.521
125 H LYS 13 H LYS 13 -11.255 2.956 -4.796
126 H LYS 13 H LYS 13 -10.616 2.732 -4.395
127 HA LYS 13 HA LYS 13 -8.707 2.119 -3.733
128 HA LYS 13 HA LYS 13 -8.042 2.191 -3.166
129 HB2 LYS 13 HB2 LYS 13 -10.463 0.848 -5.285
130 HB2 LYS 13 HB2 LYS 13 -9.329 0.260 -3.732
131 HB3 LYS 13 HB3 LYS 13 -9.472 1.554 -6.555
132 HB3 LYS 13 HB3 LYS 13 -9.600 0.842 -5.370
133 HG2 LYS 13 HG2 LYS 13 -7.518 0.445 -5.741
134 HG2 LYS 13 HG2 LYS 13 -7.195 0.589 -5.833
135 HG3 LYS 13 HG3 LYS 13 -8.376 -0.118 -4.305
136 HG3 LYS 13 HG3 LYS 13 -6.975 -0.067 -4.208
137 HD2 LYS 13 HD2 LYS 13 -9.966 -1.260 -6.003
138 HD2 LYS 13 HD2 LYS 13 -8.995 -1.296 -6.033
139 HD3 LYS 13 HD3 LYS 13 -8.644 -1.025 -7.149
140 HD3 LYS 13 HD3 LYS 13 -7.285 -1.672 -6.248
141 HE2 LYS 13 HE2 LYS 13 -8.360 -3.192 -6.244
142 HE2 LYS 13 HE2 LYS 13 -7.264 -3.014 -4.466
143 HE3 LYS 13 HE3 LYS 13 -7.149 -2.173 -5.471
144 HE3 LYS 13 HE3 LYS 13 -8.095 -1.823 -3.467
145 HZ1 LYS 13 HZ1 LYS 13 -9.047 -1.914 -3.700
146 HZ1 LYS 13 HZ1 LYS 13 -9.391 -3.703 -5.366
147 HZ2 LYS 13 HZ2 LYS 13 -7.997 -3.239 -3.666
148 HZ2 LYS 13 HZ2 LYS 13 -10.196 -2.548 -4.430
149 HZ3 LYS 13 HZ3 LYS 13 -9.546 -3.404 -4.326
150 HZ3 LYS 13 HZ3 LYS 13 -9.398 -3.837 -3.679
151 H ARG 14 H ARG 14 -6.727 2.838 -4.289
152 H ARG 14 H ARG 14 -6.294 3.270 -3.774
153 HA ARG 14 HA ARG 14 -6.422 4.589 -6.604
154 HA ARG 14 HA ARG 14 -6.046 4.062 -6.603
155 HB2 ARG 14 HB2 ARG 14 -6.181 5.419 -3.774
156 HB2 ARG 14 HB2 ARG 14 -4.962 5.560 -4.210
157 HB3 ARG 14 HB3 ARG 14 -4.899 5.965 -4.847
158 HB3 ARG 14 HB3 ARG 14 -4.825 6.047 -5.894
159 HG2 ARG 14 HG2 ARG 14 -7.100 6.562 -6.317
160 HG2 ARG 14 HG2 ARG 14 -7.579 5.599 -5.098
161 HG3 ARG 14 HG3 ARG 14 -7.702 6.798 -4.674
162 HG3 ARG 14 HG3 ARG 14 -6.778 6.829 -4.119
163 HD2 ARG 14 HD2 ARG 14 -6.476 8.648 -4.372
164 HD2 ARG 14 HD2 ARG 14 -6.964 6.769 -7.127
165 HD3 ARG 14 HD3 ARG 14 -5.048 7.924 -5.110
166 HD3 ARG 14 HD3 ARG 14 -7.842 7.847 -6.045
167 HE ARG 14 HE ARG 14 -6.876 9.702 -6.347
168 HE ARG 14 HE ARG 14 -5.158 8.228 -5.514
169 HH11 ARG 14 HH11 ARG 14 -4.891 6.912 -6.975
170 HH11 ARG 14 HH11 ARG 14 -7.303 8.583 -8.234
171 HH12 ARG 14 HH12 ARG 14 -4.700 7.265 -8.659
172 HH12 ARG 14 HH12 ARG 14 -6.400 9.878 -8.944
173 HH21 ARG 14 HH21 ARG 14 -6.631 10.178 -8.566
174 HH21 ARG 14 HH21 ARG 14 -3.961 9.935 -6.439
175 HH22 ARG 14 HH22 ARG 14 -5.689 9.122 -9.563
176 HH22 ARG 14 HH22 ARG 14 -4.499 10.647 -7.923
177 H MET 15 H MET 15 -4.171 4.940 -7.199
178 H MET 15 H MET 15 -3.720 4.444 -7.244
179 HA MET 15 HA MET 15 -2.405 2.806 -6.192
180 HA MET 15 HA MET 15 -1.883 2.646 -5.825
181 HB2 MET 15 HB2 MET 15 -3.420 2.921 -8.710
182 HB2 MET 15 HB2 MET 15 -2.685 1.305 -7.625
183 HB3 MET 15 HB3 MET 15 -1.923 3.817 -8.923
184 HB3 MET 15 HB3 MET 15 -2.525 2.629 -8.772
185 HG2 MET 15 HG2 MET 15 -1.260 1.535 -7.437
186 HG2 MET 15 HG2 MET 15 -0.286 2.340 -9.015
187 HG3 MET 15 HG3 MET 15 -2.339 0.996 -8.721
188 HG3 MET 15 HG3 MET 15 -0.076 1.718 -7.380
189 HE1 MET 15 HE1 MET 15 0.581 -0.120 -10.581
190 HE1 MET 15 HE1 MET 15 0.682 1.211 -10.428
191 HE2 MET 15 HE2 MET 15 -0.892 -0.445 -9.669
192 HE2 MET 15 HE2 MET 15 1.086 -0.505 -10.410
193 HE3 MET 15 HE3 MET 15 -0.987 0.311 -11.260
194 HE3 MET 15 HE3 MET 15 -0.354 0.053 -11.263
195 H SER 16 H SER 16 -0.060 3.441 -7.341
196 H SER 16 H SER 16 0.109 3.447 -5.554
197 HA SER 16 HA SER 16 0.495 6.185 -6.421
198 HA SER 16 HA SER 16 0.712 6.116 -6.081
199 HB2 SER 16 HB2 SER 16 2.350 5.507 -5.220
200 HB2 SER 16 HB2 SER 16 1.992 3.903 -4.818
201 HB3 SER 16 HB3 SER 16 1.297 4.111 -4.994
202 HB3 SER 16 HB3 SER 16 3.158 4.659 -5.900
203 HG SER 16 HG SER 16 2.435 3.347 -7.023
204 HG SER 16 HG SER 16 3.371 5.991 -4.276
205 H ARG 17 H ARG 17 2.454 7.150 -7.351
206 H ARG 17 H ARG 17 3.007 6.563 -7.231
207 HA ARG 17 HA ARG 17 3.048 6.095 -10.038
208 HA ARG 17 HA ARG 17 2.875 5.376 -9.923
209 HB2 ARG 17 HB2 ARG 17 1.546 8.174 -9.916
210 HB2 ARG 17 HB2 ARG 17 1.867 7.536 -10.123
211 HB3 ARG 17 HB3 ARG 17 2.983 9.033 -9.380
212 HB3 ARG 17 HB3 ARG 17 3.148 8.287 -9.180
213 HG2 ARG 17 HG2 ARG 17 4.120 8.306 -11.469
214 HG2 ARG 17 HG2 ARG 17 4.744 7.825 -10.967
215 HG3 ARG 17 HG3 ARG 17 2.584 7.624 -12.008
216 HG3 ARG 17 HG3 ARG 17 3.465 7.058 -11.910
217 HD2 ARG 17 HD2 ARG 17 3.260 10.506 -11.477
218 HD2 ARG 17 HD2 ARG 17 3.737 9.950 -11.137
219 HD3 ARG 17 HD3 ARG 17 2.748 9.769 -12.996
220 HD3 ARG 17 HD3 ARG 17 3.679 9.254 -12.755
221 HE ARG 17 HE ARG 17 0.652 9.312 -11.348
222 HE ARG 17 HE ARG 17 1.286 8.565 -11.712
223 HH11 ARG 17 HH11 ARG 17 2.447 12.170 -12.203
224 HH11 ARG 17 HH11 ARG 17 2.994 11.589 -11.958
225 HH12 ARG 17 HH12 ARG 17 1.098 13.238 -11.994
226 HH12 ARG 17 HH12 ARG 17 1.554 12.545 -12.051
227 HH21 ARG 17 HH21 ARG 17 -1.131 10.707 -11.070
228 HH21 ARG 17 HH21 ARG 17 -0.620 9.814 -11.834
229 HH22 ARG 17 HH22 ARG 17 -0.936 12.404 -11.348
230 HH22 ARG 17 HH22 ARG 17 -0.501 11.534 -11.979
231 H ASN 18 H ASN 18 4.556 5.536 -7.715
232 H ASN 18 H ASN 18 4.823 6.950 -7.450
233 HA ASN 18 HA ASN 18 7.103 6.717 -8.516
234 HA ASN 18 HA ASN 18 7.277 6.301 -8.900
235 HB2 ASN 18 HB2 ASN 18 5.786 7.639 -6.259
236 HB2 ASN 18 HB2 ASN 18 6.670 8.522 -7.529
237 HB3 ASN 18 HB3 ASN 18 6.927 6.462 -5.615
238 HB3 ASN 18 HB3 ASN 18 7.375 7.581 -6.217
239 HD21 ASN 18 HD21 ASN 18 6.856 9.046 -8.050
240 HD21 ASN 18 HD21 ASN 18 8.024 8.418 -9.604
241 HD22 ASN 18 HD22 ASN 18 8.379 9.731 -7.611
242 HD22 ASN 18 HD22 ASN 18 9.722 8.659 -9.394
243 H SER 19 H SER 19 5.615 4.478 -6.173
244 H SER 19 H SER 19 5.499 4.282 -7.611
245 HA SER 19 HA SER 19 7.859 2.634 -6.590
246 HA SER 19 HA SER 19 7.588 2.775 -6.318
247 HB2 SER 19 HB2 SER 19 7.345 1.661 -4.506
248 HB2 SER 19 HB2 SER 19 6.335 2.362 -4.237
249 HB3 SER 19 HB3 SER 19 7.080 3.383 -4.248
250 HB3 SER 19 HB3 SER 19 6.729 4.072 -4.417
251 HG SER 19 HG SER 19 5.341 2.202 -3.426
252 HG SER 19 HG SER 19 4.678 4.488 -4.395
253 H GLY 20 H GLY 20 4.307 2.707 -6.528
254 H GLY 20 H GLY 20 4.022 2.822 -6.556
255 HA2 GLY 20 HA2 GLY 20 3.261 1.551 -8.480
256 HA2 GLY 20 HA2 GLY 20 2.836 1.365 -8.053
257 HA3 GLY 20 HA3 GLY 20 4.335 0.210 -8.110
258 HA3 GLY 20 HA3 GLY 20 4.179 0.234 -7.953
259 H ARG 21 H ARG 21 3.976 0.567 -5.203
260 H ARG 21 H ARG 21 2.944 1.768 -5.088
261 HA ARG 21 HA ARG 21 1.973 -1.285 -4.740
262 HA ARG 21 HA ARG 21 1.968 -0.847 -4.179
263 HB2 ARG 21 HB2 ARG 21 2.816 0.836 -2.764
264 HB2 ARG 21 HB2 ARG 21 3.342 1.397 -2.892
265 HB3 ARG 21 HB3 ARG 21 2.184 -0.767 -2.410
266 HB3 ARG 21 HB3 ARG 21 1.976 0.791 -1.967
267 HG2 ARG 21 HG2 ARG 21 4.223 -1.719 -3.499
268 HG2 ARG 21 HG2 ARG 21 2.914 -1.364 -1.801
269 HG3 ARG 21 HG3 ARG 21 4.862 -0.076 -3.592
270 HG3 ARG 21 HG3 ARG 21 4.122 -1.013 -3.037
271 HD2 ARG 21 HD2 ARG 21 4.244 -1.712 -1.148
272 HD2 ARG 21 HD2 ARG 21 5.038 -0.997 -0.736
273 HD3 ARG 21 HD3 ARG 21 5.783 -1.000 -1.631
274 HD3 ARG 21 HD3 ARG 21 5.242 0.536 -1.581
275 HE ARG 21 HE ARG 21 4.206 1.161 -1.313
276 HE ARG 21 HE ARG 21 2.949 0.924 -0.234
277 HH11 ARG 21 HH11 ARG 21 4.874 -1.596 0.706
278 HH11 ARG 21 HH11 ARG 21 6.070 -0.266 0.744
279 HH12 ARG 21 HH12 ARG 21 4.642 -0.729 2.188
280 HH12 ARG 21 HH12 ARG 21 5.935 0.331 2.365
281 HH21 ARG 21 HH21 ARG 21 3.897 2.311 0.632
282 HH21 ARG 21 HH21 ARG 21 2.760 1.715 1.897
283 HH22 ARG 21 HH22 ARG 21 4.086 1.492 2.145
284 HH22 ARG 21 HH22 ARG 21 4.052 1.457 3.020
285 H VAL 22 H VAL 22 0.076 -0.764 -3.141
286 H VAL 22 H VAL 22 -0.134 -1.192 -3.862
287 HA VAL 22 HA VAL 22 -1.395 1.572 -4.173
288 HA VAL 22 HA VAL 22 -2.039 0.869 -4.455
289 HB VAL 22 HB VAL 22 -3.484 0.147 -3.864
290 HB VAL 22 HB VAL 22 -2.447 -1.965 -3.496
291 HG11 VAL 22 HG11 VAL 22 -1.443 -0.282 -6.015
292 HG11 VAL 22 HG11 VAL 22 -4.453 0.023 -4.560
293 HG12 VAL 22 HG12 VAL 22 -2.997 -1.117 -6.066
294 HG12 VAL 22 HG12 VAL 22 -4.777 -1.676 -4.208
295 HG13 VAL 22 HG13 VAL 22 -2.942 0.647 -6.068
296 HG13 VAL 22 HG13 VAL 22 -4.353 -0.570 -2.902
297 HG21 VAL 22 HG21 VAL 22 -1.600 -2.175 -4.143
298 HG21 VAL 22 HG21 VAL 22 -1.629 -0.967 -5.983
299 HG22 VAL 22 HG22 VAL 22 -2.158 -1.617 -2.566
300 HG22 VAL 22 HG22 VAL 22 -2.167 -2.604 -5.607
301 HG23 VAL 22 HG23 VAL 22 -3.322 -2.190 -3.761
302 HG23 VAL 22 HG23 VAL 22 -3.327 -1.404 -6.174
303 H TYR 23 H TYR 23 -3.273 2.172 -2.755
304 H TYR 23 H TYR 23 -3.464 1.884 -3.092
305 HA TYR 23 HA TYR 23 -3.025 1.423 0.039
306 HA TYR 23 HA TYR 23 -3.452 1.237 -0.256
307 HB2 TYR 23 HB2 TYR 23 -2.937 3.913 0.663
308 HB2 TYR 23 HB2 TYR 23 -2.894 3.495 0.450
309 HB3 TYR 23 HB3 TYR 23 -1.444 3.161 0.114
310 HB3 TYR 23 HB3 TYR 23 -1.594 2.848 -0.545
311 HD1 TYR 23 HD1 TYR 23 -4.017 5.630 -0.628
312 HD1 TYR 23 HD1 TYR 23 -4.398 5.235 -0.453
313 HD2 TYR 23 HD2 TYR 23 -0.545 3.673 -2.117
314 HD2 TYR 23 HD2 TYR 23 -1.035 3.838 -2.653
315 HE1 TYR 23 HE1 TYR 23 -3.793 7.359 -2.364
316 HE1 TYR 23 HE1 TYR 23 -4.544 7.206 -1.917
317 HE2 TYR 23 HE2 TYR 23 -0.310 5.396 -3.855
318 HE2 TYR 23 HE2 TYR 23 -1.171 5.806 -4.122
319 HH TYR 23 HH TYR 23 -0.980 7.650 -4.316
320 HH TYR 23 HH TYR 23 -2.380 7.595 -4.695
321 H TYR 24 H TYR 24 -4.603 3.125 1.288
322 H TYR 24 H TYR 24 -4.934 2.993 0.888
323 HA TYR 24 HA TYR 24 -7.117 3.097 -0.251
324 HA TYR 24 HA TYR 24 -7.278 3.427 -0.843
325 HB2 TYR 24 HB2 TYR 24 -6.682 2.648 2.708
326 HB2 TYR 24 HB2 TYR 24 -7.446 2.758 2.092
327 HB3 TYR 24 HB3 TYR 24 -8.262 2.808 1.949
328 HB3 TYR 24 HB3 TYR 24 -8.744 2.761 0.905
329 HD1 TYR 24 HD1 TYR 24 -9.221 1.005 0.685
330 HD1 TYR 24 HD1 TYR 24 -8.689 1.009 -0.937
331 HD2 TYR 24 HD2 TYR 24 -5.285 0.670 2.266
332 HD2 TYR 24 HD2 TYR 24 -6.213 0.806 2.518
333 HE1 TYR 24 HE1 TYR 24 -9.245 -1.408 0.214
334 HE1 TYR 24 HE1 TYR 24 -8.331 -1.392 -1.340
335 HE2 TYR 24 HE2 TYR 24 -5.297 -1.745 1.795
336 HE2 TYR 24 HE2 TYR 24 -5.847 -1.594 2.123
337 HH TYR 24 HH TYR 24 -7.636 -3.225 -0.167
338 HH TYR 24 HH TYR 24 -6.136 -3.096 -0.468
339 H PHE 25 H PHE 25 -8.245 4.940 -0.406
340 H PHE 25 H PHE 25 -8.263 5.373 -0.727
341 HA PHE 25 HA PHE 25 -7.548 7.172 1.372
342 HA PHE 25 HA PHE 25 -7.279 7.273 1.300
343 HB2 PHE 25 HB2 PHE 25 -6.399 7.361 -0.869
344 HB2 PHE 25 HB2 PHE 25 -6.285 7.971 -0.738
345 HB3 PHE 25 HB3 PHE 25 -7.995 7.494 -1.597
346 HB3 PHE 25 HB3 PHE 25 -7.768 7.696 -1.644
347 HD1 PHE 25 HD1 PHE 25 -9.523 9.373 -0.658
348 HD1 PHE 25 HD1 PHE 25 -9.025 9.525 -2.219
349 HD2 PHE 25 HD2 PHE 25 -5.293 9.265 -0.185
350 HD2 PHE 25 HD2 PHE 25 -6.539 9.733 1.231
351 HE1 PHE 25 HE1 PHE 25 -9.510 11.799 -0.245
352 HE1 PHE 25 HE1 PHE 25 -9.645 11.887 -1.918
353 HE2 PHE 25 HE2 PHE 25 -5.275 11.690 0.231
354 HE2 PHE 25 HE2 PHE 25 -7.157 12.094 1.537
355 HZ PHE 25 HZ PHE 25 -7.384 12.961 0.202
356 HZ PHE 25 HZ PHE 25 -8.714 13.175 -0.037
357 H ASN 26 H ASN 26 -9.281 8.007 2.320
358 H ASN 26 H ASN 26 -8.755 8.662 2.214
359 HA ASN 26 HA ASN 26 -11.926 7.302 1.323
360 HA ASN 26 HA ASN 26 -11.576 8.074 1.617
361 HB2 ASN 26 HB2 ASN 26 -11.208 7.096 3.770
362 HB2 ASN 26 HB2 ASN 26 -10.607 7.550 3.934
363 HB3 ASN 26 HB3 ASN 26 -11.313 8.852 3.836
364 HB3 ASN 26 HB3 ASN 26 -10.558 9.294 4.178
365 HD21 ASN 26 HD21 ASN 26 -12.886 6.382 4.882
366 HD21 ASN 26 HD21 ASN 26 -12.102 7.226 5.551
367 HD22 ASN 26 HD22 ASN 26 -14.530 6.855 4.638
368 HD22 ASN 26 HD22 ASN 26 -13.759 7.688 5.391
369 H HIS 27 H HIS 27 -13.332 8.693 0.422
370 H HIS 27 H HIS 27 -12.747 9.632 0.722
371 HA HIS 27 HA HIS 27 -12.378 11.384 -0.158
372 HA HIS 27 HA HIS 27 -11.649 12.275 0.386
373 HB2 HIS 27 HB2 HIS 27 -14.041 11.465 -1.861
374 HB2 HIS 27 HB2 HIS 27 -13.783 12.684 -0.878
375 HB3 HIS 27 HB3 HIS 27 -13.330 9.854 -1.935
376 HB3 HIS 27 HB3 HIS 27 -12.817 11.344 -1.488
377 HD1 HIS 27 HD1 HIS 27 -16.148 10.442 -3.069
378 HD1 HIS 27 HD1 HIS 27 -16.009 12.075 0.353
379 HD2 HIS 27 HD2 HIS 27 -15.405 8.963 0.741
380 HD2 HIS 27 HD2 HIS 27 -14.028 8.853 -1.366
381 HE1 HIS 27 HE1 HIS 27 -18.263 9.270 -2.378
382 HE1 HIS 27 HE1 HIS 27 -17.681 10.196 0.323
383 H ILE 28 H ILE 28 -13.254 10.718 2.534
384 H ILE 28 H ILE 28 -13.772 10.725 2.582
385 HA ILE 28 HA ILE 28 -15.540 12.569 2.748
386 HA ILE 28 HA ILE 28 -15.158 13.122 3.394
387 HB ILE 28 HB ILE 28 -14.905 10.154 4.438
388 HB ILE 28 HB ILE 28 -15.058 10.394 4.686
389 HG12 ILE 28 HG12 ILE 28 -16.208 9.908 2.279
390 HG12 ILE 28 HG12 ILE 28 -17.113 11.699 2.889
391 HG13 ILE 28 HG13 ILE 28 -17.026 9.332 3.727
392 HG13 ILE 28 HG13 ILE 28 -16.084 10.330 2.478
393 HG21 ILE 28 HG21 ILE 28 -15.665 11.345 6.172
394 HG21 ILE 28 HG21 ILE 28 -15.964 12.862 5.720
395 HG22 ILE 28 HG22 ILE 28 -16.307 12.618 5.135
396 HG22 ILE 28 HG22 ILE 28 -17.389 11.894 5.349
397 HG23 ILE 28 HG23 ILE 28 -17.251 11.156 5.423
398 HG23 ILE 28 HG23 ILE 28 -16.142 11.254 6.420
399 HD11 ILE 28 HD11 ILE 28 -17.636 12.102 3.201
400 HD11 ILE 28 HD11 ILE 28 -18.415 10.430 4.350
401 HD12 ILE 28 HD12 ILE 28 -18.033 11.069 1.827
402 HD12 ILE 28 HD12 ILE 28 -18.145 9.376 2.962
403 HD13 ILE 28 HD13 ILE 28 -18.717 10.726 3.416
404 HD13 ILE 28 HD13 ILE 28 -17.213 9.142 4.442
405 H THR 29 H THR 29 -12.529 11.430 4.198
406 H THR 29 H THR 29 -12.656 11.010 4.772
407 HA THR 29 HA THR 29 -12.318 14.012 5.599
408 HA THR 29 HA THR 29 -12.204 12.908 6.941
409 HB THR 29 HB THR 29 -11.353 13.011 7.521
410 HB THR 29 HB THR 29 -10.339 11.072 7.430
411 HG1 THR 29 HG1 THR 29 -11.369 10.568 6.046
412 HG1 THR 29 HG1 THR 29 -10.900 9.080 6.634
413 HG21 THR 29 HG21 THR 29 -13.093 11.408 8.266
414 HG21 THR 29 HG21 THR 29 -13.282 10.613 7.932
415 HG22 THR 29 HG22 THR 29 -13.697 11.338 6.611
416 HG22 THR 29 HG22 THR 29 -12.230 11.652 8.893
417 HG23 THR 29 HG23 THR 29 -13.767 12.851 7.513
418 HG23 THR 29 HG23 THR 29 -11.950 9.911 8.847
419 H ASN 30 H ASN 30 -11.267 13.048 3.000
420 H ASN 30 H ASN 30 -11.020 12.248 3.840
421 HA ASN 30 HA ASN 30 -9.289 12.826 1.841
422 HA ASN 30 HA ASN 30 -9.268 13.038 2.626
423 HB2 ASN 30 HB2 ASN 30 -7.685 14.771 2.586
424 HB2 ASN 30 HB2 ASN 30 -9.470 15.044 4.842
425 HB3 ASN 30 HB3 ASN 30 -9.231 15.137 1.828
426 HB3 ASN 30 HB3 ASN 30 -8.122 15.138 3.712
427 HD21 ASN 30 HD21 ASN 30 -7.422 15.119 4.792
428 HD21 ASN 30 HD21 ASN 30 -8.553 15.517 1.509
429 HD22 ASN 30 HD22 ASN 30 -8.504 16.119 5.694
430 HD22 ASN 30 HD22 ASN 30 -10.033 16.249 1.002
431 H ALA 31 H ALA 31 -9.303 10.896 3.769
432 H ALA 31 H ALA 31 -8.605 10.814 3.909
433 HA ALA 31 HA ALA 31 -6.741 11.026 5.165
434 HA ALA 31 HA ALA 31 -5.787 11.227 4.495
435 HB1 ALA 31 HB1 ALA 31 -7.468 9.273 6.491
436 HB1 ALA 31 HB1 ALA 31 -5.769 10.112 6.586
437 HB2 ALA 31 HB2 ALA 31 -8.964 10.149 6.161
438 HB2 ALA 31 HB2 ALA 31 -7.034 11.339 6.682
439 HB3 ALA 31 HB3 ALA 31 -8.589 8.677 5.267
440 HB3 ALA 31 HB3 ALA 31 -7.464 9.647 6.431
441 H SER 32 H SER 32 -5.428 8.942 5.139
442 H SER 32 H SER 32 -4.526 9.294 4.332
443 HA SER 32 HA SER 32 -5.512 7.488 2.625
444 HA SER 32 HA SER 32 -5.919 7.071 2.992
445 HB2 SER 32 HB2 SER 32 -3.202 8.027 2.022
446 HB2 SER 32 HB2 SER 32 -3.937 8.797 1.909
447 HB3 SER 32 HB3 SER 32 -4.172 9.499 2.100
448 HB3 SER 32 HB3 SER 32 -3.198 7.211 2.118
449 HG SER 32 HG SER 32 -2.551 10.104 3.328
450 HG SER 32 HG SER 32 -4.478 7.744 0.093
451 H GLN 33 H GLN 33 -5.979 5.761 4.090
452 H GLN 33 H GLN 33 -5.110 4.987 3.350
453 HA GLN 33 HA GLN 33 -3.932 4.981 5.993
454 HA GLN 33 HA GLN 33 -2.893 4.629 5.190
455 HB2 GLN 33 HB2 GLN 33 -6.370 4.734 6.481
456 HB2 GLN 33 HB2 GLN 33 -4.100 3.487 6.877
457 HB3 GLN 33 HB3 GLN 33 -6.456 3.512 5.217
458 HB3 GLN 33 HB3 GLN 33 -4.986 4.975 6.572
459 HG2 GLN 33 HG2 GLN 33 -5.145 2.002 6.426
460 HG2 GLN 33 HG2 GLN 33 -6.588 3.758 5.204
461 HG3 GLN 33 HG3 GLN 33 -4.565 3.253 7.525
462 HG3 GLN 33 HG3 GLN 33 -5.691 2.264 5.469
463 HE21 GLN 33 HE21 GLN 33 -7.205 1.151 6.706
464 HE21 GLN 33 HE21 GLN 33 -6.268 1.038 7.123
465 HE22 GLN 33 HE22 GLN 33 -8.090 1.353 8.176
466 HE22 GLN 33 HE22 GLN 33 -7.277 1.525 8.437
467 H PHE 34 H PHE 34 -2.955 2.856 5.969
468 H PHE 34 H PHE 34 -1.856 2.717 4.912
469 HA PHE 34 HA PHE 34 -2.274 2.041 3.243
470 HA PHE 34 HA PHE 34 -2.521 1.164 2.608
471 HB2 PHE 34 HB2 PHE 34 -0.887 2.076 5.818
472 HB2 PHE 34 HB2 PHE 34 -0.460 0.532 4.725
473 HB3 PHE 34 HB3 PHE 34 -0.673 0.565 4.941
474 HB3 PHE 34 HB3 PHE 34 -0.508 -0.077 3.074
475 HD1 PHE 34 HD1 PHE 34 0.885 3.494 5.556
476 HD1 PHE 34 HD1 PHE 34 1.059 2.180 5.164
477 HD2 PHE 34 HD2 PHE 34 -0.393 1.168 2.230
478 HD2 PHE 34 HD2 PHE 34 -0.611 1.911 1.259
479 HE1 PHE 34 HE1 PHE 34 2.606 4.557 4.157
480 HE1 PHE 34 HE1 PHE 34 2.466 4.063 4.437
481 HE2 PHE 34 HE2 PHE 34 1.326 2.228 0.824
482 HE2 PHE 34 HE2 PHE 34 0.793 3.793 0.525
483 HZ PHE 34 HZ PHE 34 2.829 3.924 1.787
484 HZ PHE 34 HZ PHE 34 2.335 4.871 2.116
485 H GLU 35 H GLU 35 -3.636 0.784 6.230
486 H GLU 35 H GLU 35 -2.928 0.795 6.060
487 HA GLU 35 HA GLU 35 -3.924 -1.879 5.089
488 HA GLU 35 HA GLU 35 -3.529 -1.971 6.070
489 HB2 GLU 35 HB2 GLU 35 -4.917 -2.433 7.316
490 HB2 GLU 35 HB2 GLU 35 -3.939 0.295 7.973
491 HB3 GLU 35 HB3 GLU 35 -3.271 -1.816 7.396
492 HB3 GLU 35 HB3 GLU 35 -4.797 -1.213 8.259
493 HG2 GLU 35 HG2 GLU 35 -5.041 0.388 7.598
494 HG2 GLU 35 HG2 GLU 35 -2.824 -2.416 8.573
495 HG3 GLU 35 HG3 GLU 35 -5.588 -0.861 8.714
496 HG3 GLU 35 HG3 GLU 35 -1.836 -1.166 7.819
497 H ARG 36 H ARG 36 -5.880 -2.877 4.650
498 H ARG 36 H ARG 36 -5.411 -3.065 5.812
499 HA ARG 36 HA ARG 36 -7.887 -1.388 3.478
500 HA ARG 36 HA ARG 36 -7.482 -1.894 4.301
501 HB2 ARG 36 HB2 ARG 36 -7.588 -3.782 3.074
502 HB2 ARG 36 HB2 ARG 36 -6.905 -4.292 4.207
503 HB3 ARG 36 HB3 ARG 36 -8.105 -4.136 4.717
504 HB3 ARG 36 HB3 ARG 36 -7.508 -4.493 5.847
505 HG2 ARG 36 HG2 ARG 36 -10.261 -2.828 3.967
506 HG2 ARG 36 HG2 ARG 36 -9.715 -3.529 4.866
507 HG3 ARG 36 HG3 ARG 36 -9.709 -3.308 2.361
508 HG3 ARG 36 HG3 ARG 36 -9.018 -4.019 3.321
509 HD2 ARG 36 HD2 ARG 36 -9.516 -5.537 4.145
510 HD2 ARG 36 HD2 ARG 36 -8.647 -6.159 5.129
511 HD3 ARG 36 HD3 ARG 36 -11.136 -4.847 4.242
512 HD3 ARG 36 HD3 ARG 36 -10.317 -5.619 5.295
513 HE ARG 36 HE ARG 36 -10.435 -5.089 1.543
514 HE ARG 36 HE ARG 36 -9.449 -5.972 2.571
515 HH11 ARG 36 HH11 ARG 36 -11.143 -7.102 4.294
516 HH11 ARG 36 HH11 ARG 36 -10.857 -7.492 5.367
517 HH12 ARG 36 HH12 ARG 36 -11.760 -8.412 3.340
518 HH12 ARG 36 HH12 ARG 36 -11.636 -8.744 4.459
519 HH21 ARG 36 HH21 ARG 36 -11.246 -6.804 0.279
520 HH21 ARG 36 HH21 ARG 36 -10.468 -7.616 1.362
521 HH22 ARG 36 HH22 ARG 36 -11.817 -8.241 1.058
522 HH22 ARG 36 HH22 ARG 36 -11.412 -8.815 2.178
523 HA PRO 37 HA PRO 37 -10.141 0.328 6.864
524 HA PRO 37 HA PRO 37 -9.587 -0.003 7.777
525 HB2 PRO 37 HB2 PRO 37 -12.396 0.997 5.511
526 HB2 PRO 37 HB2 PRO 37 -11.450 1.268 6.268
527 HB3 PRO 37 HB3 PRO 37 -10.884 1.900 5.362
528 HB3 PRO 37 HB3 PRO 37 -9.797 1.865 6.457
529 HG2 PRO 37 HG2 PRO 37 -12.031 -0.187 3.547
530 HG2 PRO 37 HG2 PRO 37 -11.001 0.298 4.207
531 HG3 PRO 37 HG3 PRO 37 -11.249 1.349 3.132
532 HG3 PRO 37 HG3 PRO 37 -9.903 1.690 4.141
533 HD2 PRO 37 HD2 PRO 37 -9.955 -1.025 3.001
534 HD2 PRO 37 HD2 PRO 37 -9.048 -0.857 3.806
535 HD3 PRO 37 HD3 PRO 37 -9.128 0.491 3.412
536 HD3 PRO 37 HD3 PRO 37 -8.039 0.398 4.550
537 H SER 38 H SER 38 -11.684 -0.289 8.326
538 H SER 38 H SER 38 -11.786 -0.045 8.627
539 HA SER 38 HA SER 38 -12.670 -2.963 8.144
540 HA SER 38 HA SER 38 -13.497 -2.143 7.494
541 HB2 SER 38 HB2 SER 38 -13.715 -2.462 10.350
542 HB2 SER 38 HB2 SER 38 -12.166 -3.199 9.266
543 HB3 SER 38 HB3 SER 38 -11.995 -2.077 10.301
544 HB3 SER 38 HB3 SER 38 -12.690 -1.959 10.407
545 HG SER 38 HG SER 38 -12.847 -0.289 11.149
546 HG SER 38 HG SER 38 -14.608 -2.876 10.549
547 H GLY 39 H GLY 39 -14.408 0.123 8.621
548 H GLY 39 H GLY 39 -15.679 -2.170 8.665
549 HA2 GLY 39 HA2 GLY 39 -16.306 0.844 7.433
550 HA2 GLY 39 HA2 GLY 39 -16.576 0.124 10.056
551 HA3 GLY 39 HA3 GLY 39 -16.461 -0.767 6.749
552 HA3 GLY 39 HA3 GLY 39 -16.932 0.297 8.344