Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602640 | 2n9o RC | 25913 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -1 H1 GLY -1 -16.831 2.800 5.284
2 H2 GLY -1 H2 GLY -1 -17.112 2.551 3.638
3 H3 GLY -1 H3 GLY -1 -17.654 3.969 4.382
4 HA2 GLY -1 HA3 GLY -1 -15.701 4.458 3.106
5 HA3 GLY -1 HA2 GLY -1 -15.360 4.626 4.822
6 H SER 0 H SER 0 -13.184 4.186 4.755
7 HA SER 0 HA SER 0 -12.384 1.630 3.551
8 HB2 SER 0 HB2 SER 0 -10.680 4.016 4.299
9 HB3 SER 0 HB3 SER 0 -10.123 2.562 3.470
10 HG SER 0 HG SER 0 -11.454 3.085 1.725
11 H MET 1 H MET 1 -13.364 2.628 6.435
12 HA MET 1 HA MET 1 -11.285 1.447 8.063
13 HB2 MET 1 HB2 MET 1 -14.041 2.474 8.743
14 HB3 MET 1 HB3 MET 1 -12.963 1.752 9.925
15 HG2 MET 1 HG2 MET 1 -11.311 3.504 9.478
16 HG3 MET 1 HG3 MET 1 -12.417 4.236 8.317
17 HE1 MET 1 HE1 MET 1 -11.041 5.680 10.923
18 HE2 MET 1 HE2 MET 1 -12.398 6.695 11.415
19 HE3 MET 1 HE3 MET 1 -12.008 6.513 9.705
20 H ALA 2 H ALA 2 -11.326 -0.524 9.018
21 HA ALA 2 HA ALA 2 -11.760 -2.727 9.298
22 HB1 ALA 2 HB1 ALA 2 -14.066 -3.544 9.260
23 HB2 ALA 2 HB2 ALA 2 -14.600 -2.016 8.558
24 HB3 ALA 2 HB3 ALA 2 -13.931 -2.051 10.190
25 H GLU 3 H GLU 3 -10.876 -1.568 6.858
26 HA GLU 3 HA GLU 3 -10.230 -2.198 4.799
27 HB2 GLU 3 HB2 GLU 3 -10.262 -4.526 5.948
28 HB3 GLU 3 HB3 GLU 3 -11.747 -4.784 5.048
29 HG2 GLU 3 HG2 GLU 3 -10.018 -5.754 3.780
30 HG3 GLU 3 HG3 GLU 3 -10.451 -4.255 2.960
31 H ALA 4 H ALA 4 -13.318 -3.952 4.820
32 HA ALA 4 HA ALA 4 -15.211 -3.759 3.598
33 HB1 ALA 4 HB1 ALA 4 -15.405 -1.611 4.753
34 HB2 ALA 4 HB2 ALA 4 -16.082 -1.541 3.126
35 HB3 ALA 4 HB3 ALA 4 -14.502 -0.833 3.453
36 H SER 5 H SER 5 -16.010 -2.450 1.378
37 HA SER 5 HA SER 5 -14.455 -3.741 -0.625
38 HB2 SER 5 HB2 SER 5 -16.930 -3.541 -0.726
39 HB3 SER 5 HB3 SER 5 -16.752 -1.814 -1.014
40 HG SER 5 HG SER 5 -15.521 -3.760 -2.665
41 HA PRO 6 HA PRO 6 -13.055 0.646 -1.944
42 HB2 PRO 6 HB2 PRO 6 -13.645 2.794 -0.435
43 HB3 PRO 6 HB3 PRO 6 -14.741 2.205 -1.691
44 HG2 PRO 6 HG2 PRO 6 -14.847 1.786 1.268
45 HG3 PRO 6 HG3 PRO 6 -16.167 2.140 0.138
46 HD2 PRO 6 HD2 PRO 6 -15.602 -0.365 1.074
47 HD3 PRO 6 HD3 PRO 6 -16.384 -0.048 -0.483
48 H HIS 7 H HIS 7 -11.908 -1.178 -0.301
49 HA HIS 7 HA HIS 7 -10.776 -0.174 2.085
50 HB2 HIS 7 HB2 HIS 7 -9.563 -2.230 2.158
51 HB3 HIS 7 HB3 HIS 7 -11.134 -2.591 1.485
52 HD1 HIS 7 HD1 HIS 7 -7.991 -3.785 1.122
53 HD2 HIS 7 HD2 HIS 7 -10.647 -2.202 -1.658
54 HE1 HIS 7 HE1 HIS 7 -7.264 -4.701 -1.112
55 HE2 HIS 7 HE2 HIS 7 -8.782 -3.592 -2.791
56 HA PRO 8 HA PRO 8 -7.245 2.090 0.779
57 HB2 PRO 8 HB2 PRO 8 -5.295 1.172 2.470
58 HB3 PRO 8 HB3 PRO 8 -6.524 2.349 2.926
59 HG2 PRO 8 HG2 PRO 8 -6.371 -0.566 3.477
60 HG3 PRO 8 HG3 PRO 8 -6.981 0.743 4.504
61 HD2 PRO 8 HD2 PRO 8 -8.580 -0.953 3.136
62 HD3 PRO 8 HD3 PRO 8 -9.043 0.707 3.524
63 H GLY 9 H GLY 9 -5.036 1.933 -0.085
64 HA2 GLY 9 HA2 GLY 9 -3.876 -0.570 -0.769
65 HA3 GLY 9 HA3 GLY 9 -4.832 0.044 -2.112
66 H ARG 10 H ARG 10 -4.366 2.801 -1.609
67 HA ARG 10 HA ARG 10 -1.878 3.200 -2.885
68 HB2 ARG 10 HB2 ARG 10 -2.285 5.615 -2.389
69 HB3 ARG 10 HB3 ARG 10 -3.629 4.819 -3.196
70 HG2 ARG 10 HG2 ARG 10 -4.910 4.754 -1.224
71 HG3 ARG 10 HG3 ARG 10 -3.528 5.168 -0.216
72 HD2 ARG 10 HD2 ARG 10 -4.311 7.262 -0.324
73 HD3 ARG 10 HD3 ARG 10 -3.657 7.274 -1.960
74 HE ARG 10 HE ARG 10 -5.825 6.891 -2.810
75 HH11 ARG 10 HH11 ARG 10 -5.738 7.276 0.674
76 HH12 ARG 10 HH12 ARG 10 -7.442 7.599 0.803
77 HH21 ARG 10 HH21 ARG 10 -8.071 7.310 -2.635
78 HH22 ARG 10 HH22 ARG 10 -8.767 7.615 -1.074
79 H TYR 11 H TYR 11 -0.055 2.637 -1.882
80 HA TYR 11 HA TYR 11 0.361 3.641 0.854
81 HB2 TYR 11 HB2 TYR 11 1.310 1.156 -0.513
82 HB3 TYR 11 HB3 TYR 11 2.313 1.884 0.733
83 HD1 TYR 11 HD2 TYR 11 -1.251 0.845 0.208
84 HD2 TYR 11 HD1 TYR 11 2.038 1.193 2.881
85 HE1 TYR 11 HE2 TYR 11 -2.559 -0.293 1.960
86 HE2 TYR 11 HE1 TYR 11 0.761 0.062 4.631
87 HH TYR 11 HH TYR 11 -2.181 -1.574 3.991
88 H PHE 12 H PHE 12 2.585 4.266 1.346
89 HA PHE 12 HA PHE 12 4.045 5.185 -1.027
90 HB2 PHE 12 HB2 PHE 12 2.710 6.958 0.275
91 HB3 PHE 12 HB3 PHE 12 3.941 6.775 1.522
92 HD1 PHE 12 HD2 PHE 12 3.250 7.825 -1.900
93 HD2 PHE 12 HD1 PHE 12 6.151 7.620 1.198
94 HE1 PHE 12 HE2 PHE 12 4.685 9.390 -3.150
95 HE2 PHE 12 HE1 PHE 12 7.604 9.178 -0.049
96 HZ PHE 12 HZ PHE 12 6.863 10.069 -2.221
97 H CYS 13 H CYS 13 5.870 4.096 -1.086
98 HA CYS 13 HA CYS 13 6.956 2.849 1.260
99 HB2 CYS 13 HB2 CYS 13 7.134 1.604 -0.757
100 HB3 CYS 13 HB3 CYS 13 7.846 2.959 -1.616
101 H HIS 14 H HIS 14 8.563 3.512 2.510
102 HA HIS 14 HA HIS 14 9.557 6.190 2.238
103 HB2 HIS 14 HB2 HIS 14 9.834 3.992 4.231
104 HB3 HIS 14 HB3 HIS 14 11.047 5.271 4.242
105 HD1 HIS 14 HD1 HIS 14 10.388 6.549 6.292
106 HD2 HIS 14 HD2 HIS 14 7.174 5.827 3.761
107 HE1 HIS 14 HE1 HIS 14 8.473 7.881 7.232
108 HE2 HIS 14 HE2 HIS 14 6.611 7.600 5.556
109 H CYS 15 H CYS 15 10.737 3.009 1.494
110 HA CYS 15 HA CYS 15 13.482 3.764 1.236
111 HB2 CYS 15 HB2 CYS 15 12.711 1.439 1.699
112 HB3 CYS 15 HB3 CYS 15 12.056 1.365 0.071
113 HG CYS 15 HG CYS 15 15.094 2.261 -0.382
114 H CYS 16 H CYS 16 10.816 3.225 -1.032
115 HA CYS 16 HA CYS 16 12.481 3.994 -3.287
116 HB2 CYS 16 HB2 CYS 16 9.554 3.247 -3.173
117 HB3 CYS 16 HB3 CYS 16 10.469 3.535 -4.642
118 H SER 17 H SER 17 10.421 5.436 -1.065
119 HA SER 17 HA SER 17 9.234 7.325 -0.855
120 HB2 SER 17 HB2 SER 17 10.352 9.404 -1.701
121 HB3 SER 17 HB3 SER 17 11.377 8.360 -0.721
122 HG SER 17 HG SER 17 11.551 7.722 -3.355
123 H VAL 18 H VAL 18 8.154 5.696 -2.729
124 HA VAL 18 HA VAL 18 6.821 7.632 -4.481
125 HB VAL 18 HB VAL 18 6.686 6.040 -6.313
126 HG11 VAL 18 HG11 VAL 18 9.535 6.406 -5.412
127 HG12 VAL 18 HG12 VAL 18 8.574 7.564 -6.334
128 HG13 VAL 18 HG13 VAL 18 9.014 6.013 -7.050
129 HG21 VAL 18 HG21 VAL 18 7.978 3.951 -6.291
130 HG22 VAL 18 HG22 VAL 18 6.715 3.973 -5.061
131 HG23 VAL 18 HG23 VAL 18 8.395 4.245 -4.603
132 H GLU 19 H GLU 19 4.738 6.744 -5.296
133 HA GLU 19 HA GLU 19 3.323 5.490 -3.095
134 HB2 GLU 19 HB2 GLU 19 2.520 7.447 -4.645
135 HB3 GLU 19 HB3 GLU 19 2.049 6.148 -5.729
136 HG2 GLU 19 HG2 GLU 19 0.981 5.260 -3.440
137 HG3 GLU 19 HG3 GLU 19 0.901 6.992 -3.158
138 H ILE 20 H ILE 20 2.580 3.442 -3.058
139 HA ILE 20 HA ILE 20 3.051 1.718 -5.402
140 HB ILE 20 HB ILE 20 4.016 -0.012 -3.907
141 HG12 ILE 20 HG12 ILE 20 4.771 1.848 -1.797
142 HG13 ILE 20 HG13 ILE 20 3.033 1.598 -1.885
143 HG21 ILE 20 HG21 ILE 20 6.234 0.996 -3.668
144 HG22 ILE 20 HG22 ILE 20 5.533 2.591 -3.942
145 HG23 ILE 20 HG23 ILE 20 5.504 1.381 -5.225
146 HD11 ILE 20 HD11 ILE 20 3.998 0.049 -0.336
147 HD12 ILE 20 HD12 ILE 20 5.142 -0.517 -1.553
148 HD13 ILE 20 HD13 ILE 20 3.416 -0.831 -1.749
149 H VAL 21 H VAL 21 2.077 -0.404 -5.159
150 HA VAL 21 HA VAL 21 -0.108 -0.532 -3.195
151 HB VAL 21 HB VAL 21 -1.114 -0.509 -5.357
152 HG11 VAL 21 HG11 VAL 21 0.901 -0.974 -6.664
153 HG12 VAL 21 HG12 VAL 21 -0.458 -1.977 -7.181
154 HG13 VAL 21 HG13 VAL 21 0.820 -2.669 -6.180
155 HG21 VAL 21 HG21 VAL 21 -2.050 -2.166 -3.844
156 HG22 VAL 21 HG22 VAL 21 -0.907 -3.373 -4.430
157 HG23 VAL 21 HG23 VAL 21 -2.143 -2.732 -5.511
158 HA PRO 22 HA PRO 22 2.875 -3.418 -1.558
159 HB2 PRO 22 HB2 PRO 22 0.780 -4.007 0.422
160 HB3 PRO 22 HB3 PRO 22 2.400 -3.372 0.664
161 HG2 PRO 22 HG2 PRO 22 0.236 -1.842 0.972
162 HG3 PRO 22 HG3 PRO 22 1.750 -1.196 0.305
163 HD2 PRO 22 HD2 PRO 22 -0.752 -2.008 -1.121
164 HD3 PRO 22 HD3 PRO 22 0.306 -0.610 -1.407
165 H ARG 23 H ARG 23 3.230 -5.589 -1.590
166 HA ARG 23 HA ARG 23 1.273 -7.385 -2.659
167 HB2 ARG 23 HB2 ARG 23 3.877 -7.922 -1.205
168 HB3 ARG 23 HB3 ARG 23 2.917 -9.144 -2.019
169 HG2 ARG 23 HG2 ARG 23 3.297 -8.027 -4.153
170 HG3 ARG 23 HG3 ARG 23 4.256 -6.791 -3.333
171 HD2 ARG 23 HD2 ARG 23 5.786 -8.561 -2.550
172 HD3 ARG 23 HD3 ARG 23 4.858 -9.742 -3.471
173 HE ARG 23 HE ARG 23 5.514 -7.957 -5.360
174 HH11 ARG 23 HH11 ARG 23 7.403 -9.605 -2.916
175 HH12 ARG 23 HH12 ARG 23 8.885 -9.547 -3.824
176 HH21 ARG 23 HH21 ARG 23 7.444 -7.919 -6.588
177 HH22 ARG 23 HH22 ARG 23 8.894 -8.604 -5.927
178 H LEU 24 H LEU 24 -0.508 -7.669 -1.438
179 HA LEU 24 HA LEU 24 -0.671 -6.995 1.242
180 HB2 LEU 24 HB2 LEU 24 -2.428 -7.716 -0.788
181 HB3 LEU 24 HB3 LEU 24 -2.744 -8.829 0.525
182 HG LEU 24 HG LEU 24 -4.142 -6.765 0.559
183 HD11 LEU 24 HD11 LEU 24 -3.832 -8.075 2.572
184 HD12 LEU 24 HD12 LEU 24 -3.874 -6.355 2.960
185 HD13 LEU 24 HD13 LEU 24 -2.334 -7.213 2.920
186 HD21 LEU 24 HD21 LEU 24 -2.344 -5.241 -0.226
187 HD22 LEU 24 HD22 LEU 24 -1.581 -5.392 1.358
188 HD23 LEU 24 HD23 LEU 24 -3.182 -4.671 1.214
189 HA PRO 25 HA PRO 25 -0.576 -11.837 2.265
190 HB2 PRO 25 HB2 PRO 25 1.505 -12.438 0.217
191 HB3 PRO 25 HB3 PRO 25 0.235 -13.483 0.861
192 HG2 PRO 25 HG2 PRO 25 -0.028 -12.441 -1.542
193 HG3 PRO 25 HG3 PRO 25 -1.417 -12.455 -0.436
194 HD2 PRO 25 HD2 PRO 25 0.413 -10.197 -1.150
195 HD3 PRO 25 HD3 PRO 25 -1.345 -10.198 -0.935
196 H ASP 26 H ASP 26 2.000 -9.690 1.272
197 HA ASP 26 HA ASP 26 3.703 -10.740 3.443
198 HB2 ASP 26 HB2 ASP 26 4.499 -9.339 0.888
199 HB3 ASP 26 HB3 ASP 26 5.618 -9.741 2.182
200 H TYR 27 H TYR 27 2.030 -8.041 2.223
201 HA TYR 27 HA TYR 27 1.852 -5.858 2.714
202 HB2 TYR 27 HB2 TYR 27 2.432 -7.112 5.317
203 HB3 TYR 27 HB3 TYR 27 2.702 -5.373 5.239
204 HD1 TYR 27 HD1 TYR 27 0.625 -4.298 3.627
205 HD2 TYR 27 HD2 TYR 27 0.416 -7.569 6.344
206 HE1 TYR 27 HE1 TYR 27 -1.776 -3.884 3.927
207 HE2 TYR 27 HE2 TYR 27 -1.991 -7.167 6.648
208 HH TYR 27 HH TYR 27 -3.779 -5.071 4.625
209 H ILE 28 H ILE 28 4.162 -6.538 1.336
210 HA ILE 28 HA ILE 28 6.103 -4.622 2.437
211 HB ILE 28 HB ILE 28 7.784 -5.725 0.968
212 HG12 ILE 28 HG12 ILE 28 5.622 -7.812 0.644
213 HG13 ILE 28 HG13 ILE 28 6.226 -6.755 -0.624
214 HG21 ILE 28 HG21 ILE 28 8.136 -7.659 2.417
215 HG22 ILE 28 HG22 ILE 28 6.497 -7.487 3.042
216 HG23 ILE 28 HG23 ILE 28 7.691 -6.223 3.336
217 HD11 ILE 28 HD11 ILE 28 7.806 -8.869 0.821
218 HD12 ILE 28 HD12 ILE 28 8.422 -7.804 -0.442
219 HD13 ILE 28 HD13 ILE 28 7.163 -8.978 -0.818
220 H CYS 29 H CYS 29 7.618 -4.120 0.348
221 HA CYS 29 HA CYS 29 5.949 -2.465 -1.361
222 HB2 CYS 29 HB2 CYS 29 7.994 -1.591 -0.252
223 HB3 CYS 29 HB3 CYS 29 8.952 -2.759 -1.133
224 HA PRO 30 HA PRO 30 6.342 -5.414 -4.677
225 HB2 PRO 30 HB2 PRO 30 5.358 -3.948 -6.693
226 HB3 PRO 30 HB3 PRO 30 4.321 -4.497 -5.372
227 HG2 PRO 30 HG2 PRO 30 5.546 -1.811 -5.827
228 HG3 PRO 30 HG3 PRO 30 3.922 -2.215 -5.248
229 HD2 PRO 30 HD2 PRO 30 6.031 -1.487 -3.629
230 HD3 PRO 30 HD3 PRO 30 4.627 -2.433 -3.086
231 H ARG 31 H ARG 31 8.035 -2.502 -4.388
232 HA ARG 31 HA ARG 31 9.635 -2.984 -6.780
233 HB2 ARG 31 HB2 ARG 31 10.067 -0.636 -5.006
234 HB3 ARG 31 HB3 ARG 31 10.203 -0.758 -6.750
235 HG2 ARG 31 HG2 ARG 31 7.597 -1.135 -6.542
236 HG3 ARG 31 HG3 ARG 31 7.841 -0.235 -5.054
237 HD2 ARG 31 HD2 ARG 31 7.288 1.286 -6.822
238 HD3 ARG 31 HD3 ARG 31 8.960 1.530 -6.338
239 HE ARG 31 HE ARG 31 8.779 -0.288 -8.518
240 HH11 ARG 31 HH11 ARG 31 8.658 3.112 -7.721
241 HH12 ARG 31 HH12 ARG 31 9.149 3.634 -9.294
242 HH21 ARG 31 HH21 ARG 31 9.448 0.390 -10.592
243 HH22 ARG 31 HH22 ARG 31 9.614 2.084 -10.929
244 H CYS 32 H CYS 32 10.088 -2.413 -3.251
245 HA CYS 32 HA CYS 32 12.807 -3.466 -3.647
246 HB2 CYS 32 HB2 CYS 32 13.615 -2.080 -1.841
247 HB3 CYS 32 HB3 CYS 32 12.799 -1.081 -3.033
248 H GLU 33 H GLU 33 9.868 -4.091 -2.180
249 HA GLU 33 HA GLU 33 9.122 -5.737 -0.801
250 HB2 GLU 33 HB2 GLU 33 11.857 -6.930 -1.290
251 HB3 GLU 33 HB3 GLU 33 10.435 -7.791 -0.719
252 HG2 GLU 33 HG2 GLU 33 9.326 -7.509 -2.801
253 HG3 GLU 33 HG3 GLU 33 10.556 -6.383 -3.371
254 H SER 34 H SER 34 10.176 -3.496 0.473
255 HA SER 34 HA SER 34 11.946 -4.415 2.581
256 HB2 SER 34 HB2 SER 34 12.558 -2.324 1.596
257 HB3 SER 34 HB3 SER 34 10.929 -1.684 1.791
258 HG SER 34 HG SER 34 12.525 -2.479 3.996
259 H GLY 35 H GLY 35 8.856 -2.612 2.452
260 HA2 GLY 35 HA2 GLY 35 7.023 -3.494 3.856
261 HA3 GLY 35 HA3 GLY 35 8.245 -3.734 5.091
262 H PHE 36 H PHE 36 9.568 -1.200 4.366
263 HA PHE 36 HA PHE 36 8.220 0.601 6.071
264 HB2 PHE 36 HB2 PHE 36 10.511 0.867 4.147
265 HB3 PHE 36 HB3 PHE 36 9.861 2.274 4.976
266 HD1 PHE 36 HD1 PHE 36 11.467 -1.009 5.495
267 HD2 PHE 36 HD2 PHE 36 10.390 2.731 7.188
268 HE1 PHE 36 HE1 PHE 36 12.872 -1.499 7.454
269 HE2 PHE 36 HE2 PHE 36 11.790 2.254 9.158
270 HZ PHE 36 HZ PHE 36 13.035 0.132 9.290
271 H ILE 37 H ILE 37 6.081 0.769 5.229
272 HA ILE 37 HA ILE 37 5.867 2.617 2.969
273 HB ILE 37 HB ILE 37 3.911 1.375 2.108
274 HG12 ILE 37 HG12 ILE 37 4.742 -0.635 4.199
275 HG13 ILE 37 HG13 ILE 37 3.174 0.110 3.988
276 HG21 ILE 37 HG21 ILE 37 5.970 1.115 0.965
277 HG22 ILE 37 HG22 ILE 37 5.238 -0.488 1.087
278 HG23 ILE 37 HG23 ILE 37 6.562 -0.038 2.164
279 HD11 ILE 37 HD11 ILE 37 3.189 -2.230 3.290
280 HD12 ILE 37 HD12 ILE 37 4.426 -1.861 2.090
281 HD13 ILE 37 HD13 ILE 37 2.820 -1.148 1.949
282 H GLU 38 H GLU 38 3.961 3.864 2.933
283 HA GLU 38 HA GLU 38 2.626 4.026 5.547
284 HB2 GLU 38 HB2 GLU 38 3.363 6.159 3.567
285 HB3 GLU 38 HB3 GLU 38 2.174 6.434 4.834
286 HG2 GLU 38 HG2 GLU 38 3.958 5.745 6.476
287 HG3 GLU 38 HG3 GLU 38 5.096 5.822 5.132
288 H GLU 39 H GLU 39 0.526 3.675 5.602
289 HA GLU 39 HA GLU 39 -0.960 3.278 3.164
290 HB2 GLU 39 HB2 GLU 39 -1.174 1.884 5.271
291 HB3 GLU 39 HB3 GLU 39 -1.969 3.256 6.015
292 HG2 GLU 39 HG2 GLU 39 -3.007 2.058 3.479
293 HG3 GLU 39 HG3 GLU 39 -3.401 1.365 5.049
294 H LEU 40 H LEU 40 -1.686 4.967 2.083
295 HA LEU 40 HA LEU 40 -1.750 7.565 3.309
296 HB2 LEU 40 HB2 LEU 40 -2.398 6.715 0.500
297 HB3 LEU 40 HB3 LEU 40 -2.202 8.369 1.037
298 HG LEU 40 HG LEU 40 -0.022 6.277 1.064
299 HD11 LEU 40 HD11 LEU 40 -0.627 6.832 -1.201
300 HD12 LEU 40 HD12 LEU 40 0.931 7.552 -0.792
301 HD13 LEU 40 HD13 LEU 40 -0.519 8.555 -0.835
302 HD21 LEU 40 HD21 LEU 40 1.453 8.198 1.484
303 HD22 LEU 40 HD22 LEU 40 0.292 7.952 2.787
304 HD23 LEU 40 HD23 LEU 40 0.037 9.241 1.612
Start of MODEL 2
1 H1 GLY -1 H1 GLY -1 -22.240 2.277 -5.439
2 H2 GLY -1 H2 GLY -1 -21.241 3.635 -5.298
3 H3 GLY -1 H3 GLY -1 -21.076 2.347 -4.216
4 HA2 GLY -1 HA3 GLY -1 -20.510 2.246 -7.125
5 HA3 GLY -1 HA2 GLY -1 -19.301 2.318 -5.849
6 H SER 0 H SER 0 -18.334 0.388 -5.772
7 HA SER 0 HA SER 0 -20.056 -1.951 -5.427
8 HB2 SER 0 HB2 SER 0 -18.379 -3.257 -6.836
9 HB3 SER 0 HB3 SER 0 -19.448 -2.162 -7.709
10 HG SER 0 HG SER 0 -17.129 -0.964 -6.884
11 H MET 1 H MET 1 -19.545 -1.574 -3.204
12 HA MET 1 HA MET 1 -18.530 -2.172 -1.270
13 HB2 MET 1 HB2 MET 1 -16.930 -3.988 -3.081
14 HB3 MET 1 HB3 MET 1 -16.956 -4.087 -1.325
15 HG2 MET 1 HG2 MET 1 -19.307 -4.634 -1.355
16 HG3 MET 1 HG3 MET 1 -19.359 -4.422 -3.103
17 HE1 MET 1 HE1 MET 1 -20.493 -6.806 -3.366
18 HE2 MET 1 HE2 MET 1 -20.449 -7.011 -1.616
19 HE3 MET 1 HE3 MET 1 -19.832 -8.284 -2.670
20 H ALA 2 H ALA 2 -17.584 0.179 -2.412
21 HA ALA 2 HA ALA 2 -14.679 0.102 -2.038
22 HB1 ALA 2 HB1 ALA 2 -16.448 2.318 -3.074
23 HB2 ALA 2 HB2 ALA 2 -15.469 1.227 -4.053
24 HB3 ALA 2 HB3 ALA 2 -14.689 2.372 -2.963
25 H GLU 3 H GLU 3 -17.651 1.361 -0.745
26 HA GLU 3 HA GLU 3 -16.204 2.629 1.423
27 HB2 GLU 3 HB2 GLU 3 -18.740 3.184 2.065
28 HB3 GLU 3 HB3 GLU 3 -17.808 4.168 0.953
29 HG2 GLU 3 HG2 GLU 3 -20.056 3.739 0.139
30 HG3 GLU 3 HG3 GLU 3 -18.831 3.078 -0.937
31 H ALA 4 H ALA 4 -18.351 -0.014 0.711
32 HA ALA 4 HA ALA 4 -18.822 -0.830 3.385
33 HB1 ALA 4 HB1 ALA 4 -19.602 -2.920 2.410
34 HB2 ALA 4 HB2 ALA 4 -18.887 -2.480 0.859
35 HB3 ALA 4 HB3 ALA 4 -20.235 -1.544 1.505
36 H SER 5 H SER 5 -17.277 -1.398 4.734
37 HA SER 5 HA SER 5 -15.379 -2.252 5.619
38 HB2 SER 5 HB2 SER 5 -15.452 -4.135 3.250
39 HB3 SER 5 HB3 SER 5 -14.512 -4.360 4.726
40 HG SER 5 HG SER 5 -16.700 -4.154 5.784
41 HA PRO 6 HA PRO 6 -12.924 0.612 2.938
42 HB2 PRO 6 HB2 PRO 6 -11.701 0.908 5.643
43 HB3 PRO 6 HB3 PRO 6 -12.123 2.149 4.457
44 HG2 PRO 6 HG2 PRO 6 -13.639 1.777 6.601
45 HG3 PRO 6 HG3 PRO 6 -14.377 2.112 5.023
46 HD2 PRO 6 HD2 PRO 6 -14.157 -0.474 6.506
47 HD3 PRO 6 HD3 PRO 6 -15.484 0.141 5.502
48 H HIS 7 H HIS 7 -10.945 0.247 2.067
49 HA HIS 7 HA HIS 7 -9.245 -1.797 3.257
50 HB2 HIS 7 HB2 HIS 7 -9.075 -2.908 0.969
51 HB3 HIS 7 HB3 HIS 7 -10.549 -3.191 1.871
52 HD1 HIS 7 HD1 HIS 7 -12.726 -2.491 0.810
53 HD2 HIS 7 HD2 HIS 7 -9.398 -1.144 -1.294
54 HE1 HIS 7 HE1 HIS 7 -13.614 -1.581 -1.358
55 HE2 HIS 7 HE2 HIS 7 -11.595 -0.742 -2.604
56 HA PRO 8 HA PRO 8 -6.290 1.078 1.708
57 HB2 PRO 8 HB2 PRO 8 -4.086 -0.118 2.667
58 HB3 PRO 8 HB3 PRO 8 -5.248 0.683 3.724
59 HG2 PRO 8 HG2 PRO 8 -4.790 -2.209 3.253
60 HG3 PRO 8 HG3 PRO 8 -5.345 -1.380 4.714
61 HD2 PRO 8 HD2 PRO 8 -6.939 -2.736 2.838
62 HD3 PRO 8 HD3 PRO 8 -7.508 -1.674 4.136
63 H GLY 9 H GLY 9 -4.466 1.191 0.260
64 HA2 GLY 9 HA2 GLY 9 -3.511 -1.087 -1.154
65 HA3 GLY 9 HA3 GLY 9 -4.752 -0.258 -2.088
66 H ARG 10 H ARG 10 -4.162 2.342 -1.146
67 HA ARG 10 HA ARG 10 -1.814 2.954 -2.696
68 HB2 ARG 10 HB2 ARG 10 -2.427 5.320 -2.130
69 HB3 ARG 10 HB3 ARG 10 -3.678 4.420 -2.973
70 HG2 ARG 10 HG2 ARG 10 -4.963 4.173 -1.021
71 HG3 ARG 10 HG3 ARG 10 -3.641 4.705 0.014
72 HD2 ARG 10 HD2 ARG 10 -4.656 6.704 -0.072
73 HD3 ARG 10 HD3 ARG 10 -3.936 6.821 -1.673
74 HE ARG 10 HE ARG 10 -6.495 5.509 -1.650
75 HH11 ARG 10 HH11 ARG 10 -4.848 8.590 -1.862
76 HH12 ARG 10 HH12 ARG 10 -6.162 9.381 -2.671
77 HH21 ARG 10 HH21 ARG 10 -8.232 6.556 -2.699
78 HH22 ARG 10 HH22 ARG 10 -8.084 8.223 -3.155
79 H TYR 11 H TYR 11 0.065 2.593 -1.769
80 HA TYR 11 HA TYR 11 0.455 3.549 0.989
81 HB2 TYR 11 HB2 TYR 11 1.469 1.110 -0.406
82 HB3 TYR 11 HB3 TYR 11 2.464 1.863 0.831
83 HD1 TYR 11 HD2 TYR 11 -1.031 0.619 0.321
84 HD2 TYR 11 HD1 TYR 11 2.212 1.223 3.004
85 HE1 TYR 11 HE2 TYR 11 -2.258 -0.587 2.082
86 HE2 TYR 11 HE1 TYR 11 1.010 0.025 4.761
87 HH TYR 11 HH TYR 11 -1.246 -0.595 5.363
88 H PHE 12 H PHE 12 2.610 4.321 1.461
89 HA PHE 12 HA PHE 12 4.059 5.204 -0.938
90 HB2 PHE 12 HB2 PHE 12 2.804 7.004 0.367
91 HB3 PHE 12 HB3 PHE 12 3.996 6.758 1.641
92 HD1 PHE 12 HD2 PHE 12 3.396 7.949 -1.738
93 HD2 PHE 12 HD1 PHE 12 6.285 7.457 1.343
94 HE1 PHE 12 HE2 PHE 12 4.925 9.459 -2.937
95 HE2 PHE 12 HE1 PHE 12 7.831 8.965 0.143
96 HZ PHE 12 HZ PHE 12 7.141 9.971 -1.996
97 H CYS 13 H CYS 13 5.868 4.092 -1.055
98 HA CYS 13 HA CYS 13 7.015 2.832 1.250
99 HB2 CYS 13 HB2 CYS 13 7.144 1.660 -0.848
100 HB3 CYS 13 HB3 CYS 13 7.942 3.025 -1.617
101 H HIS 14 H HIS 14 8.655 3.488 2.483
102 HA HIS 14 HA HIS 14 9.729 6.148 2.050
103 HB2 HIS 14 HB2 HIS 14 9.665 4.210 4.305
104 HB3 HIS 14 HB3 HIS 14 11.009 5.351 4.261
105 HD1 HIS 14 HD1 HIS 14 10.385 6.999 6.022
106 HD2 HIS 14 HD2 HIS 14 7.241 6.188 3.429
107 HE1 HIS 14 HE1 HIS 14 8.571 8.629 6.628
108 HE2 HIS 14 HE2 HIS 14 6.625 8.032 5.135
109 H CYS 15 H CYS 15 10.593 2.956 1.370
110 HA CYS 15 HA CYS 15 13.447 3.433 1.302
111 HB2 CYS 15 HB2 CYS 15 11.777 1.068 0.428
112 HB3 CYS 15 HB3 CYS 15 13.532 1.093 0.456
113 HG CYS 15 HG CYS 15 13.570 1.595 3.292
114 H CYS 16 H CYS 16 10.743 3.430 -0.890
115 HA CYS 16 HA CYS 16 12.562 3.916 -3.157
116 HB2 CYS 16 HB2 CYS 16 9.628 3.186 -3.167
117 HB3 CYS 16 HB3 CYS 16 10.601 3.487 -4.595
118 H SER 17 H SER 17 10.525 5.409 -0.996
119 HA SER 17 HA SER 17 9.382 7.329 -0.795
120 HB2 SER 17 HB2 SER 17 10.478 9.360 -1.660
121 HB3 SER 17 HB3 SER 17 11.604 8.282 -0.844
122 HG SER 17 HG SER 17 11.550 7.636 -3.436
123 H VAL 18 H VAL 18 8.175 5.670 -2.559
124 HA VAL 18 HA VAL 18 6.865 7.570 -4.359
125 HB VAL 18 HB VAL 18 6.705 5.919 -6.155
126 HG11 VAL 18 HG11 VAL 18 9.560 6.395 -5.318
127 HG12 VAL 18 HG12 VAL 18 8.544 7.517 -6.229
128 HG13 VAL 18 HG13 VAL 18 9.012 5.971 -6.939
129 HG21 VAL 18 HG21 VAL 18 8.043 3.875 -6.105
130 HG22 VAL 18 HG22 VAL 18 6.843 3.901 -4.813
131 HG23 VAL 18 HG23 VAL 18 8.534 4.242 -4.453
132 H GLU 19 H GLU 19 4.779 6.708 -5.145
133 HA GLU 19 HA GLU 19 3.386 5.413 -2.947
134 HB2 GLU 19 HB2 GLU 19 2.516 7.483 -4.066
135 HB3 GLU 19 HB3 GLU 19 2.246 6.530 -5.516
136 HG2 GLU 19 HG2 GLU 19 1.043 5.437 -3.079
137 HG3 GLU 19 HG3 GLU 19 0.401 6.992 -3.597
138 H ILE 20 H ILE 20 2.645 3.389 -2.971
139 HA ILE 20 HA ILE 20 3.012 1.775 -5.411
140 HB ILE 20 HB ILE 20 3.969 -0.040 -3.982
141 HG12 ILE 20 HG12 ILE 20 4.893 1.758 -1.893
142 HG13 ILE 20 HG13 ILE 20 3.144 1.589 -1.897
143 HG21 ILE 20 HG21 ILE 20 5.456 1.274 -5.351
144 HG22 ILE 20 HG22 ILE 20 6.231 0.924 -3.808
145 HG23 ILE 20 HG23 ILE 20 5.547 2.521 -4.108
146 HD11 ILE 20 HD11 ILE 20 5.177 -0.610 -1.671
147 HD12 ILE 20 HD12 ILE 20 3.437 -0.861 -1.808
148 HD13 ILE 20 HD13 ILE 20 4.098 -0.016 -0.407
149 H VAL 21 H VAL 21 2.018 -0.332 -5.263
150 HA VAL 21 HA VAL 21 -0.152 -0.529 -3.288
151 HB VAL 21 HB VAL 21 -1.171 -0.401 -5.436
152 HG11 VAL 21 HG11 VAL 21 0.813 -0.804 -6.793
153 HG12 VAL 21 HG12 VAL 21 -0.545 -1.796 -7.334
154 HG13 VAL 21 HG13 VAL 21 0.752 -2.519 -6.381
155 HG21 VAL 21 HG21 VAL 21 -2.110 -2.118 -3.998
156 HG22 VAL 21 HG22 VAL 21 -0.987 -3.307 -4.657
157 HG23 VAL 21 HG23 VAL 21 -2.227 -2.598 -5.692
158 HA PRO 22 HA PRO 22 2.895 -3.408 -1.770
159 HB2 PRO 22 HB2 PRO 22 0.820 -3.973 0.255
160 HB3 PRO 22 HB3 PRO 22 2.469 -3.403 0.468
161 HG2 PRO 22 HG2 PRO 22 0.409 -1.772 0.836
162 HG3 PRO 22 HG3 PRO 22 1.903 -1.200 0.070
163 HD2 PRO 22 HD2 PRO 22 -0.696 -1.973 -1.200
164 HD3 PRO 22 HD3 PRO 22 0.363 -0.592 -1.553
165 H ARG 23 H ARG 23 3.258 -5.572 -1.655
166 HA ARG 23 HA ARG 23 1.335 -7.382 -2.778
167 HB2 ARG 23 HB2 ARG 23 3.992 -7.862 -1.400
168 HB3 ARG 23 HB3 ARG 23 3.051 -9.109 -2.202
169 HG2 ARG 23 HG2 ARG 23 3.278 -7.892 -4.324
170 HG3 ARG 23 HG3 ARG 23 4.250 -6.672 -3.505
171 HD2 ARG 23 HD2 ARG 23 5.870 -8.441 -2.905
172 HD3 ARG 23 HD3 ARG 23 4.919 -9.588 -3.848
173 HE ARG 23 HE ARG 23 5.450 -7.535 -5.579
174 HH11 ARG 23 HH11 ARG 23 7.350 -9.746 -3.655
175 HH12 ARG 23 HH12 ARG 23 8.730 -9.679 -4.700
176 HH21 ARG 23 HH21 ARG 23 7.273 -7.434 -6.971
177 HH22 ARG 23 HH22 ARG 23 8.688 -8.366 -6.592
178 H LEU 24 H LEU 24 -0.421 -7.791 -1.585
179 HA LEU 24 HA LEU 24 -0.681 -6.914 1.011
180 HB2 LEU 24 HB2 LEU 24 -2.327 -8.018 -0.986
181 HB3 LEU 24 HB3 LEU 24 -2.677 -8.842 0.513
182 HG LEU 24 HG LEU 24 -4.103 -6.851 0.093
183 HD11 LEU 24 HD11 LEU 24 -2.331 -6.758 2.522
184 HD12 LEU 24 HD12 LEU 24 -3.830 -7.670 2.345
185 HD13 LEU 24 HD13 LEU 24 -3.866 -5.907 2.352
186 HD21 LEU 24 HD21 LEU 24 -2.343 -5.485 -0.983
187 HD22 LEU 24 HD22 LEU 24 -1.571 -5.293 0.593
188 HD23 LEU 24 HD23 LEU 24 -3.185 -4.638 0.314
189 HA PRO 25 HA PRO 25 -0.615 -11.627 2.511
190 HB2 PRO 25 HB2 PRO 25 1.570 -12.444 0.653
191 HB3 PRO 25 HB3 PRO 25 0.255 -13.413 1.327
192 HG2 PRO 25 HG2 PRO 25 0.128 -12.609 -1.174
193 HG3 PRO 25 HG3 PRO 25 -1.313 -12.503 -0.146
194 HD2 PRO 25 HD2 PRO 25 0.578 -10.341 -0.988
195 HD3 PRO 25 HD3 PRO 25 -1.188 -10.310 -0.864
196 H ASP 26 H ASP 26 2.099 -9.711 1.380
197 HA ASP 26 HA ASP 26 3.591 -10.423 3.818
198 HB2 ASP 26 HB2 ASP 26 4.553 -9.466 1.127
199 HB3 ASP 26 HB3 ASP 26 5.588 -9.489 2.550
200 H TYR 27 H TYR 27 1.908 -7.967 2.250
201 HA TYR 27 HA TYR 27 1.640 -5.741 2.498
202 HB2 TYR 27 HB2 TYR 27 2.196 -6.732 5.209
203 HB3 TYR 27 HB3 TYR 27 2.484 -5.011 4.991
204 HD1 TYR 27 HD1 TYR 27 0.351 -4.255 3.110
205 HD2 TYR 27 HD2 TYR 27 0.244 -6.884 6.456
206 HE1 TYR 27 HE1 TYR 27 -2.044 -3.788 3.395
207 HE2 TYR 27 HE2 TYR 27 -2.155 -6.429 6.743
208 HH TYR 27 HH TYR 27 -3.747 -4.538 6.159
209 H ILE 28 H ILE 28 4.093 -6.548 1.298
210 HA ILE 28 HA ILE 28 5.955 -4.521 2.336
211 HB ILE 28 HB ILE 28 7.688 -5.673 0.952
212 HG12 ILE 28 HG12 ILE 28 5.595 -7.847 0.746
213 HG13 ILE 28 HG13 ILE 28 6.099 -6.810 -0.581
214 HG21 ILE 28 HG21 ILE 28 6.386 -7.365 3.079
215 HG22 ILE 28 HG22 ILE 28 7.502 -6.028 3.359
216 HG23 ILE 28 HG23 ILE 28 8.058 -7.478 2.526
217 HD11 ILE 28 HD11 ILE 28 8.352 -7.721 -0.442
218 HD12 ILE 28 HD12 ILE 28 7.154 -8.989 -0.700
219 HD13 ILE 28 HD13 ILE 28 7.853 -8.749 0.900
220 H CYS 29 H CYS 29 7.551 -4.104 0.299
221 HA CYS 29 HA CYS 29 5.952 -2.484 -1.497
222 HB2 CYS 29 HB2 CYS 29 8.001 -1.660 -0.307
223 HB3 CYS 29 HB3 CYS 29 8.945 -2.811 -1.226
224 HA PRO 30 HA PRO 30 6.502 -5.500 -4.746
225 HB2 PRO 30 HB2 PRO 30 5.518 -4.104 -6.805
226 HB3 PRO 30 HB3 PRO 30 4.471 -4.645 -5.491
227 HG2 PRO 30 HG2 PRO 30 5.610 -1.940 -6.014
228 HG3 PRO 30 HG3 PRO 30 4.008 -2.380 -5.401
229 HD2 PRO 30 HD2 PRO 30 6.162 -1.549 -3.856
230 HD3 PRO 30 HD3 PRO 30 4.741 -2.428 -3.247
231 H ARG 31 H ARG 31 8.145 -2.627 -4.359
232 HA ARG 31 HA ARG 31 9.737 -2.939 -6.782
233 HB2 ARG 31 HB2 ARG 31 9.936 -0.635 -4.875
234 HB3 ARG 31 HB3 ARG 31 10.290 -0.677 -6.592
235 HG2 ARG 31 HG2 ARG 31 7.746 -1.148 -6.818
236 HG3 ARG 31 HG3 ARG 31 7.665 -0.484 -5.201
237 HD2 ARG 31 HD2 ARG 31 8.538 1.578 -5.899
238 HD3 ARG 31 HD3 ARG 31 9.008 0.947 -7.469
239 HE ARG 31 HE ARG 31 6.189 0.759 -7.020
240 HH11 ARG 31 HH11 ARG 31 8.759 2.929 -7.976
241 HH12 ARG 31 HH12 ARG 31 7.722 3.953 -8.915
242 HH21 ARG 31 HH21 ARG 31 4.811 2.113 -8.253
243 HH22 ARG 31 HH22 ARG 31 5.478 3.485 -9.078
244 H CYS 32 H CYS 32 10.149 -2.464 -3.243
245 HA CYS 32 HA CYS 32 12.892 -3.463 -3.608
246 HB2 CYS 32 HB2 CYS 32 13.624 -2.096 -1.750
247 HB3 CYS 32 HB3 CYS 32 12.828 -1.092 -2.954
248 H GLU 33 H GLU 33 9.932 -4.160 -2.209
249 HA GLU 33 HA GLU 33 9.176 -5.771 -0.790
250 HB2 GLU 33 HB2 GLU 33 11.883 -7.013 -1.306
251 HB3 GLU 33 HB3 GLU 33 10.457 -7.844 -0.706
252 HG2 GLU 33 HG2 GLU 33 9.315 -7.522 -2.785
253 HG3 GLU 33 HG3 GLU 33 10.616 -6.497 -3.391
254 H SER 34 H SER 34 10.250 -3.552 0.498
255 HA SER 34 HA SER 34 12.002 -4.551 2.593
256 HB2 SER 34 HB2 SER 34 12.813 -2.518 1.759
257 HB3 SER 34 HB3 SER 34 11.211 -1.786 1.693
258 HG SER 34 HG SER 34 12.762 -1.217 3.496
259 H GLY 35 H GLY 35 9.011 -2.599 2.464
260 HA2 GLY 35 HA2 GLY 35 7.138 -3.484 3.834
261 HA3 GLY 35 HA3 GLY 35 8.344 -3.729 5.083
262 H PHE 36 H PHE 36 9.695 -1.189 4.341
263 HA PHE 36 HA PHE 36 8.311 0.600 6.044
264 HB2 PHE 36 HB2 PHE 36 10.642 0.880 4.178
265 HB3 PHE 36 HB3 PHE 36 9.946 2.299 4.951
266 HD1 PHE 36 HD2 PHE 36 11.623 -0.924 5.581
267 HD2 PHE 36 HD1 PHE 36 10.334 2.786 7.200
268 HE1 PHE 36 HE2 PHE 36 12.955 -1.352 7.605
269 HE2 PHE 36 HE1 PHE 36 11.662 2.364 9.235
270 HZ PHE 36 HZ PHE 36 12.974 0.292 9.437
271 H ILE 37 H ILE 37 6.193 0.705 5.170
272 HA ILE 37 HA ILE 37 5.953 2.604 2.959
273 HB ILE 37 HB ILE 37 4.029 1.334 2.055
274 HG12 ILE 37 HG12 ILE 37 4.930 -0.749 4.049
275 HG13 ILE 37 HG13 ILE 37 3.356 0.006 3.940
276 HG21 ILE 37 HG21 ILE 37 5.425 -0.484 1.017
277 HG22 ILE 37 HG22 ILE 37 6.731 0.024 2.091
278 HG23 ILE 37 HG23 ILE 37 6.077 1.151 0.902
279 HD11 ILE 37 HD11 ILE 37 4.535 -1.864 1.900
280 HD12 ILE 37 HD12 ILE 37 2.935 -1.127 1.833
281 HD13 ILE 37 HD13 ILE 37 3.320 -2.282 3.108
282 H GLU 38 H GLU 38 4.074 3.872 2.992
283 HA GLU 38 HA GLU 38 2.745 3.899 5.616
284 HB2 GLU 38 HB2 GLU 38 3.451 6.156 3.758
285 HB3 GLU 38 HB3 GLU 38 2.342 6.349 5.111
286 HG2 GLU 38 HG2 GLU 38 4.222 5.487 6.577
287 HG3 GLU 38 HG3 GLU 38 5.271 5.705 5.176
288 H GLU 39 H GLU 39 0.671 3.513 5.663
289 HA GLU 39 HA GLU 39 -0.810 3.065 3.254
290 HB2 GLU 39 HB2 GLU 39 -0.970 1.750 5.417
291 HB3 GLU 39 HB3 GLU 39 -1.834 3.114 6.096
292 HG2 GLU 39 HG2 GLU 39 -2.825 1.890 3.575
293 HG3 GLU 39 HG3 GLU 39 -3.097 1.054 5.102
294 H LEU 40 H LEU 40 -1.446 4.754 2.108
295 HA LEU 40 HA LEU 40 -1.664 7.365 3.218
296 HB2 LEU 40 HB2 LEU 40 -2.401 6.346 0.490
297 HB3 LEU 40 HB3 LEU 40 -2.310 8.036 0.939
298 HG LEU 40 HG LEU 40 -0.003 6.095 0.878
299 HD11 LEU 40 HD11 LEU 40 0.796 7.414 -0.985
300 HD12 LEU 40 HD12 LEU 40 -0.643 8.428 -0.902
301 HD13 LEU 40 HD13 LEU 40 -0.788 6.725 -1.334
302 HD21 LEU 40 HD21 LEU 40 -0.090 9.031 1.549
303 HD22 LEU 40 HD22 LEU 40 1.382 8.101 1.280
304 HD23 LEU 40 HD23 LEU 40 0.330 7.711 2.640
Start of MODEL 3
1 H1 GLY -1 H1 GLY -1 -13.816 6.761 4.250
2 H2 GLY -1 H2 GLY -1 -12.963 7.189 5.641
3 H3 GLY -1 H3 GLY -1 -13.921 8.337 4.850
4 HA2 GLY -1 HA3 GLY -1 -15.002 7.512 6.860
5 HA3 GLY -1 HA2 GLY -1 -15.920 7.148 5.406
6 H SER 0 H SER 0 -16.598 5.640 7.447
7 HA SER 0 HA SER 0 -15.689 3.013 6.652
8 HB2 SER 0 HB2 SER 0 -15.315 3.978 9.502
9 HB3 SER 0 HB3 SER 0 -15.135 2.306 8.972
10 HG SER 0 HG SER 0 -13.675 3.914 7.394
11 H MET 1 H MET 1 -16.831 1.420 8.441
12 HA MET 1 HA MET 1 -18.737 0.532 9.254
13 HB2 MET 1 HB2 MET 1 -19.616 3.408 9.463
14 HB3 MET 1 HB3 MET 1 -20.555 2.051 10.063
15 HG2 MET 1 HG2 MET 1 -18.691 1.458 11.555
16 HG3 MET 1 HG3 MET 1 -17.815 2.877 10.986
17 HE1 MET 1 HE1 MET 1 -17.508 3.866 13.410
18 HE2 MET 1 HE2 MET 1 -18.260 2.399 14.033
19 HE3 MET 1 HE3 MET 1 -18.815 3.978 14.587
20 H ALA 2 H ALA 2 -20.333 3.243 7.609
21 HA ALA 2 HA ALA 2 -21.849 1.272 6.066
22 HB1 ALA 2 HB1 ALA 2 -23.121 2.933 7.356
23 HB2 ALA 2 HB2 ALA 2 -23.413 3.085 5.624
24 HB3 ALA 2 HB3 ALA 2 -22.346 4.226 6.441
25 H GLU 3 H GLU 3 -19.303 3.438 5.824
26 HA GLU 3 HA GLU 3 -19.568 3.985 3.020
27 HB2 GLU 3 HB2 GLU 3 -18.530 5.623 4.526
28 HB3 GLU 3 HB3 GLU 3 -17.278 4.466 4.939
29 HG2 GLU 3 HG2 GLU 3 -16.467 6.121 3.378
30 HG3 GLU 3 HG3 GLU 3 -16.453 4.514 2.657
31 H ALA 4 H ALA 4 -17.820 3.361 1.496
32 HA ALA 4 HA ALA 4 -17.478 0.610 1.297
33 HB1 ALA 4 HB1 ALA 4 -15.755 2.764 0.072
34 HB2 ALA 4 HB2 ALA 4 -17.280 2.172 -0.588
35 HB3 ALA 4 HB3 ALA 4 -15.889 1.093 -0.480
36 H SER 5 H SER 5 -15.996 -0.802 1.958
37 HA SER 5 HA SER 5 -14.613 -0.410 4.309
38 HB2 SER 5 HB2 SER 5 -14.075 -2.487 2.180
39 HB3 SER 5 HB3 SER 5 -13.607 -2.597 3.875
40 HG SER 5 HG SER 5 -15.895 -2.419 4.359
41 HA PRO 6 HA PRO 6 -10.997 1.787 2.771
42 HB2 PRO 6 HB2 PRO 6 -10.149 1.735 5.569
43 HB3 PRO 6 HB3 PRO 6 -10.535 3.120 4.546
44 HG2 PRO 6 HG2 PRO 6 -12.109 2.341 6.601
45 HG3 PRO 6 HG3 PRO 6 -12.750 3.107 5.137
46 HD2 PRO 6 HD2 PRO 6 -12.733 0.217 5.912
47 HD3 PRO 6 HD3 PRO 6 -14.006 1.168 5.119
48 H HIS 7 H HIS 7 -10.686 -0.600 1.991
49 HA HIS 7 HA HIS 7 -8.781 -2.146 3.463
50 HB2 HIS 7 HB2 HIS 7 -8.651 -3.545 1.452
51 HB3 HIS 7 HB3 HIS 7 -10.315 -3.235 1.894
52 HD1 HIS 7 HD1 HIS 7 -11.751 -1.850 0.240
53 HD2 HIS 7 HD2 HIS 7 -7.822 -2.445 -0.991
54 HE1 HIS 7 HE1 HIS 7 -11.687 -1.179 -2.183
55 HE2 HIS 7 HE2 HIS 7 -9.328 -1.644 -2.933
56 HA PRO 8 HA PRO 8 -5.241 0.309 2.469
57 HB2 PRO 8 HB2 PRO 8 -3.712 -2.188 2.862
58 HB3 PRO 8 HB3 PRO 8 -3.577 -0.642 3.705
59 HG2 PRO 8 HG2 PRO 8 -4.646 -2.787 4.880
60 HG3 PRO 8 HG3 PRO 8 -5.255 -1.153 5.196
61 HD2 PRO 8 HD2 PRO 8 -6.411 -3.309 3.479
62 HD3 PRO 8 HD3 PRO 8 -7.230 -2.129 4.524
63 H GLY 9 H GLY 9 -4.731 0.849 0.440
64 HA2 GLY 9 HA2 GLY 9 -3.786 -1.270 -1.356
65 HA3 GLY 9 HA3 GLY 9 -5.079 -0.216 -1.906
66 H ARG 10 H ARG 10 -4.361 2.204 -1.048
67 HA ARG 10 HA ARG 10 -2.020 2.814 -2.615
68 HB2 ARG 10 HB2 ARG 10 -2.593 5.183 -1.986
69 HB3 ARG 10 HB3 ARG 10 -3.835 4.328 -2.873
70 HG2 ARG 10 HG2 ARG 10 -5.235 4.186 -1.068
71 HG3 ARG 10 HG3 ARG 10 -3.927 4.369 0.100
72 HD2 ARG 10 HD2 ARG 10 -4.861 6.450 0.205
73 HD3 ARG 10 HD3 ARG 10 -3.679 6.686 -1.077
74 HE ARG 10 HE ARG 10 -6.279 5.904 -2.026
75 HH11 ARG 10 HH11 ARG 10 -4.220 8.588 -1.138
76 HH12 ARG 10 HH12 ARG 10 -5.092 9.743 -2.093
77 HH21 ARG 10 HH21 ARG 10 -7.449 7.429 -3.270
78 HH22 ARG 10 HH22 ARG 10 -6.937 9.088 -3.290
79 H TYR 11 H TYR 11 -0.083 2.599 -1.758
80 HA TYR 11 HA TYR 11 0.334 3.554 0.996
81 HB2 TYR 11 HB2 TYR 11 1.375 1.100 -0.360
82 HB3 TYR 11 HB3 TYR 11 2.376 1.905 0.840
83 HD1 TYR 11 HD1 TYR 11 -1.133 0.667 0.444
84 HD2 TYR 11 HD2 TYR 11 2.214 1.222 3.011
85 HE1 TYR 11 HE1 TYR 11 -2.318 -0.519 2.251
86 HE2 TYR 11 HE2 TYR 11 1.052 0.040 4.811
87 HH TYR 11 HH TYR 11 -1.252 -0.497 5.482
88 H PHE 12 H PHE 12 2.559 4.252 1.402
89 HA PHE 12 HA PHE 12 3.934 5.177 -1.023
90 HB2 PHE 12 HB2 PHE 12 2.651 6.953 0.321
91 HB3 PHE 12 HB3 PHE 12 3.896 6.746 1.548
92 HD1 PHE 12 HD2 PHE 12 3.178 7.827 -1.858
93 HD2 PHE 12 HD1 PHE 12 6.104 7.599 1.216
94 HE1 PHE 12 HE2 PHE 12 4.610 9.396 -3.114
95 HE2 PHE 12 HE1 PHE 12 7.554 9.166 -0.032
96 HZ PHE 12 HZ PHE 12 6.794 10.070 -2.196
97 H CYS 13 H CYS 13 5.782 4.092 -1.129
98 HA CYS 13 HA CYS 13 6.912 2.842 1.191
99 HB2 CYS 13 HB2 CYS 13 7.079 1.676 -0.910
100 HB3 CYS 13 HB3 CYS 13 7.884 3.047 -1.658
101 H HIS 14 H HIS 14 8.533 3.504 2.439
102 HA HIS 14 HA HIS 14 9.558 6.188 2.016
103 HB2 HIS 14 HB2 HIS 14 9.439 4.284 4.296
104 HB3 HIS 14 HB3 HIS 14 10.754 5.458 4.293
105 HD1 HIS 14 HD1 HIS 14 9.903 6.965 6.146
106 HD2 HIS 14 HD2 HIS 14 7.103 6.346 3.136
107 HE1 HIS 14 HE1 HIS 14 8.037 8.582 6.614
108 HE2 HIS 14 HE2 HIS 14 6.426 8.292 4.700
109 H CYS 15 H CYS 15 10.483 3.032 1.347
110 HA CYS 15 HA CYS 15 13.334 3.541 1.344
111 HB2 CYS 15 HB2 CYS 15 11.737 1.188 0.306
112 HB3 CYS 15 HB3 CYS 15 13.481 1.231 0.499
113 HG CYS 15 HG CYS 15 13.084 1.798 3.366
114 H CYS 16 H CYS 16 10.657 3.445 -0.902
115 HA CYS 16 HA CYS 16 12.461 4.016 -3.153
116 HB2 CYS 16 HB2 CYS 16 9.536 3.253 -3.150
117 HB3 CYS 16 HB3 CYS 16 10.490 3.585 -4.581
118 H SER 17 H SER 17 10.422 5.500 -0.979
119 HA SER 17 HA SER 17 9.231 7.395 -0.795
120 HB2 SER 17 HB2 SER 17 10.303 9.452 -1.697
121 HB3 SER 17 HB3 SER 17 11.392 8.430 -0.768
122 HG SER 17 HG SER 17 11.552 7.651 -3.296
123 H VAL 18 H VAL 18 8.155 5.692 -2.676
124 HA VAL 18 HA VAL 18 6.798 7.626 -4.411
125 HB VAL 18 HB VAL 18 6.677 6.056 -6.260
126 HG11 VAL 18 HG11 VAL 18 8.988 6.090 -7.013
127 HG12 VAL 18 HG12 VAL 18 9.528 6.419 -5.366
128 HG13 VAL 18 HG13 VAL 18 8.555 7.611 -6.231
129 HG21 VAL 18 HG21 VAL 18 8.411 4.261 -4.578
130 HG22 VAL 18 HG22 VAL 18 7.995 3.983 -6.268
131 HG23 VAL 18 HG23 VAL 18 6.734 3.972 -5.036
132 H GLU 19 H GLU 19 4.738 6.794 -5.224
133 HA GLU 19 HA GLU 19 3.277 5.557 -3.059
134 HB2 GLU 19 HB2 GLU 19 2.588 7.517 -4.721
135 HB3 GLU 19 HB3 GLU 19 1.999 6.172 -5.684
136 HG2 GLU 19 HG2 GLU 19 0.802 5.449 -3.548
137 HG3 GLU 19 HG3 GLU 19 1.131 7.074 -2.972
138 H ILE 20 H ILE 20 2.603 3.494 -2.991
139 HA ILE 20 HA ILE 20 2.993 1.797 -5.372
140 HB ILE 20 HB ILE 20 3.958 0.033 -3.924
141 HG12 ILE 20 HG12 ILE 20 4.774 1.837 -1.790
142 HG13 ILE 20 HG13 ILE 20 3.030 1.617 -1.854
143 HG21 ILE 20 HG21 ILE 20 5.489 2.624 -3.981
144 HG22 ILE 20 HG22 ILE 20 5.468 1.376 -5.229
145 HG23 ILE 20 HG23 ILE 20 6.193 1.040 -3.657
146 HD11 ILE 20 HD11 ILE 20 3.979 0.015 -0.358
147 HD12 ILE 20 HD12 ILE 20 5.114 -0.531 -1.593
148 HD13 ILE 20 HD13 ILE 20 3.386 -0.826 -1.790
149 H VAL 21 H VAL 21 2.020 -0.319 -5.145
150 HA VAL 21 HA VAL 21 -0.151 -0.468 -3.161
151 HB VAL 21 HB VAL 21 -1.178 -0.419 -5.314
152 HG11 VAL 21 HG11 VAL 21 0.827 -0.853 -6.645
153 HG12 VAL 21 HG12 VAL 21 -0.535 -1.845 -7.171
154 HG13 VAL 21 HG13 VAL 21 0.752 -2.558 -6.197
155 HG21 VAL 21 HG21 VAL 21 -2.111 -2.100 -3.836
156 HG22 VAL 21 HG22 VAL 21 -0.952 -3.292 -4.424
157 HG23 VAL 21 HG23 VAL 21 -2.188 -2.655 -5.508
158 HA PRO 22 HA PRO 22 2.838 -3.379 -1.577
159 HB2 PRO 22 HB2 PRO 22 0.710 -3.979 0.377
160 HB3 PRO 22 HB3 PRO 22 2.351 -3.399 0.648
161 HG2 PRO 22 HG2 PRO 22 0.269 -1.791 0.980
162 HG3 PRO 22 HG3 PRO 22 1.778 -1.195 0.263
163 HD2 PRO 22 HD2 PRO 22 -0.776 -1.978 -1.092
164 HD3 PRO 22 HD3 PRO 22 0.273 -0.575 -1.390
165 H ARG 23 H ARG 23 3.208 -5.531 -1.628
166 HA ARG 23 HA ARG 23 1.260 -7.324 -2.722
167 HB2 ARG 23 HB2 ARG 23 3.912 -7.850 -1.347
168 HB3 ARG 23 HB3 ARG 23 2.972 -9.058 -2.203
169 HG2 ARG 23 HG2 ARG 23 3.266 -7.813 -4.286
170 HG3 ARG 23 HG3 ARG 23 4.191 -6.587 -3.422
171 HD2 ARG 23 HD2 ARG 23 5.819 -8.340 -2.787
172 HD3 ARG 23 HD3 ARG 23 4.921 -9.490 -3.772
173 HE ARG 23 HE ARG 23 5.501 -7.421 -5.475
174 HH11 ARG 23 HH11 ARG 23 7.346 -9.605 -3.459
175 HH12 ARG 23 HH12 ARG 23 8.766 -9.544 -4.454
176 HH21 ARG 23 HH21 ARG 23 7.370 -7.334 -6.804
177 HH22 ARG 23 HH22 ARG 23 8.773 -8.264 -6.375
178 H LEU 24 H LEU 24 -0.494 -7.677 -1.486
179 HA LEU 24 HA LEU 24 -0.680 -6.871 1.140
180 HB2 LEU 24 HB2 LEU 24 -2.410 -7.741 -0.831
181 HB3 LEU 24 HB3 LEU 24 -2.688 -8.824 0.514
182 HG LEU 24 HG LEU 24 -4.168 -6.822 0.474
183 HD11 LEU 24 HD11 LEU 24 -3.792 -8.055 2.536
184 HD12 LEU 24 HD12 LEU 24 -3.953 -6.327 2.854
185 HD13 LEU 24 HD13 LEU 24 -2.359 -7.081 2.864
186 HD21 LEU 24 HD21 LEU 24 -1.680 -5.311 1.245
187 HD22 LEU 24 HD22 LEU 24 -3.310 -4.666 1.047
188 HD23 LEU 24 HD23 LEU 24 -2.421 -5.258 -0.354
189 HA PRO 25 HA PRO 25 -0.624 -11.589 2.553
190 HB2 PRO 25 HB2 PRO 25 1.357 -12.502 0.526
191 HB3 PRO 25 HB3 PRO 25 0.034 -13.396 1.280
192 HG2 PRO 25 HG2 PRO 25 -0.216 -12.555 -1.199
193 HG3 PRO 25 HG3 PRO 25 -1.574 -12.366 -0.071
194 HD2 PRO 25 HD2 PRO 25 0.412 -10.321 -0.994
195 HD3 PRO 25 HD3 PRO 25 -1.342 -10.177 -0.794
196 H ASP 26 H ASP 26 2.062 -9.723 1.279
197 HA ASP 26 HA ASP 26 3.716 -10.624 3.548
198 HB2 ASP 26 HB2 ASP 26 4.482 -9.527 0.849
199 HB3 ASP 26 HB3 ASP 26 5.617 -9.559 2.192
200 H TYR 27 H TYR 27 2.012 -8.014 2.249
201 HA TYR 27 HA TYR 27 1.828 -5.806 2.656
202 HB2 TYR 27 HB2 TYR 27 2.444 -6.995 5.281
203 HB3 TYR 27 HB3 TYR 27 2.699 -5.257 5.164
204 HD1 TYR 27 HD2 TYR 27 0.582 -4.302 3.487
205 HD2 TYR 27 HD1 TYR 27 0.462 -7.392 6.409
206 HE1 TYR 27 HE2 TYR 27 -1.820 -3.904 3.794
207 HE2 TYR 27 HE1 TYR 27 -1.947 -7.006 6.722
208 HH TYR 27 HH TYR 27 -3.557 -5.081 6.392
209 H ILE 28 H ILE 28 4.140 -6.503 1.279
210 HA ILE 28 HA ILE 28 6.054 -4.542 2.348
211 HB ILE 28 HB ILE 28 7.759 -5.675 0.909
212 HG12 ILE 28 HG12 ILE 28 5.622 -7.810 0.716
213 HG13 ILE 28 HG13 ILE 28 6.202 -6.817 -0.613
214 HG21 ILE 28 HG21 ILE 28 7.678 -6.048 3.305
215 HG22 ILE 28 HG22 ILE 28 8.146 -7.524 2.462
216 HG23 ILE 28 HG23 ILE 28 6.503 -7.346 3.082
217 HD11 ILE 28 HD11 ILE 28 8.409 -7.819 -0.400
218 HD12 ILE 28 HD12 ILE 28 7.167 -9.038 -0.673
219 HD13 ILE 28 HD13 ILE 28 7.833 -8.807 0.942
220 H CYS 29 H CYS 29 7.586 -4.090 0.261
221 HA CYS 29 HA CYS 29 5.913 -2.454 -1.455
222 HB2 CYS 29 HB2 CYS 29 7.962 -1.593 -0.333
223 HB3 CYS 29 HB3 CYS 29 8.913 -2.753 -1.233
224 HA PRO 30 HA PRO 30 6.293 -5.411 -4.763
225 HB2 PRO 30 HB2 PRO 30 5.419 -3.889 -6.808
226 HB3 PRO 30 HB3 PRO 30 4.324 -4.475 -5.551
227 HG2 PRO 30 HG2 PRO 30 5.553 -1.776 -5.890
228 HG3 PRO 30 HG3 PRO 30 3.915 -2.202 -5.366
229 HD2 PRO 30 HD2 PRO 30 5.967 -1.492 -3.674
230 HD3 PRO 30 HD3 PRO 30 4.561 -2.469 -3.193
231 H ARG 31 H ARG 31 7.935 -2.418 -4.550
232 HA ARG 31 HA ARG 31 9.611 -2.941 -6.863
233 HB2 ARG 31 HB2 ARG 31 10.033 -0.626 -5.031
234 HB3 ARG 31 HB3 ARG 31 10.249 -0.725 -6.770
235 HG2 ARG 31 HG2 ARG 31 7.582 -1.101 -6.553
236 HG3 ARG 31 HG3 ARG 31 7.886 -0.037 -5.187
237 HD2 ARG 31 HD2 ARG 31 7.387 1.336 -7.051
238 HD3 ARG 31 HD3 ARG 31 9.114 1.471 -6.743
239 HE ARG 31 HE ARG 31 8.404 -0.520 -8.707
240 HH11 ARG 31 HH11 ARG 31 9.296 2.826 -8.170
241 HH12 ARG 31 HH12 ARG 31 9.781 3.088 -9.815
242 HH21 ARG 31 HH21 ARG 31 9.064 -0.178 -10.857
243 HH22 ARG 31 HH22 ARG 31 9.663 1.379 -11.335
244 H CYS 32 H CYS 32 10.026 -2.431 -3.320
245 HA CYS 32 HA CYS 32 12.745 -3.484 -3.702
246 HB2 CYS 32 HB2 CYS 32 13.544 -2.104 -1.894
247 HB3 CYS 32 HB3 CYS 32 12.724 -1.099 -3.079
248 H GLU 33 H GLU 33 9.801 -4.124 -2.239
249 HA GLU 33 HA GLU 33 9.064 -5.780 -0.862
250 HB2 GLU 33 HB2 GLU 33 11.801 -6.954 -1.382
251 HB3 GLU 33 HB3 GLU 33 10.400 -7.826 -0.780
252 HG2 GLU 33 HG2 GLU 33 9.249 -7.554 -2.851
253 HG3 GLU 33 HG3 GLU 33 10.486 -6.450 -3.452
254 H SER 34 H SER 34 10.287 -3.519 0.369
255 HA SER 34 HA SER 34 12.025 -4.525 2.453
256 HB2 SER 34 HB2 SER 34 12.764 -2.503 1.447
257 HB3 SER 34 HB3 SER 34 11.193 -1.732 1.654
258 HG SER 34 HG SER 34 13.116 -1.394 3.222
259 H GLY 35 H GLY 35 9.041 -2.559 2.396
260 HA2 GLY 35 HA2 GLY 35 7.200 -3.490 3.781
261 HA3 GLY 35 HA3 GLY 35 8.424 -3.729 5.013
262 H PHE 36 H PHE 36 9.699 -1.127 4.245
263 HA PHE 36 HA PHE 36 8.224 0.584 5.980
264 HB2 PHE 36 HB2 PHE 36 10.630 0.948 4.234
265 HB3 PHE 36 HB3 PHE 36 9.834 2.359 4.920
266 HD1 PHE 36 HD2 PHE 36 11.664 -0.730 5.719
267 HD2 PHE 36 HD1 PHE 36 9.985 2.881 7.209
268 HE1 PHE 36 HE2 PHE 36 12.866 -1.056 7.843
269 HE2 PHE 36 HE1 PHE 36 11.183 2.565 9.339
270 HZ PHE 36 HZ PHE 36 12.625 0.593 9.657
271 H ILE 37 H ILE 37 6.151 0.693 5.114
272 HA ILE 37 HA ILE 37 5.885 2.551 2.874
273 HB ILE 37 HB ILE 37 3.975 1.237 1.997
274 HG12 ILE 37 HG12 ILE 37 4.933 -0.788 4.020
275 HG13 ILE 37 HG13 ILE 37 3.337 -0.086 3.887
276 HG21 ILE 37 HG21 ILE 37 5.391 -0.535 0.939
277 HG22 ILE 37 HG22 ILE 37 6.693 -0.038 2.023
278 HG23 ILE 37 HG23 ILE 37 6.038 1.105 0.849
279 HD11 ILE 37 HD11 ILE 37 2.932 -1.290 1.839
280 HD12 ILE 37 HD12 ILE 37 3.420 -2.407 3.111
281 HD13 ILE 37 HD13 ILE 37 4.573 -1.934 1.863
282 H GLU 38 H GLU 38 4.058 3.845 2.941
283 HA GLU 38 HA GLU 38 2.771 3.888 5.584
284 HB2 GLU 38 HB2 GLU 38 3.426 6.136 3.704
285 HB3 GLU 38 HB3 GLU 38 2.487 6.325 5.181
286 HG2 GLU 38 HG2 GLU 38 5.365 5.504 4.922
287 HG3 GLU 38 HG3 GLU 38 4.719 6.979 5.629
288 H GLU 39 H GLU 39 0.727 3.327 5.583
289 HA GLU 39 HA GLU 39 -0.884 3.147 3.251
290 HB2 GLU 39 HB2 GLU 39 -1.033 1.751 5.366
291 HB3 GLU 39 HB3 GLU 39 -1.798 3.130 6.129
292 HG2 GLU 39 HG2 GLU 39 -2.924 1.969 3.621
293 HG3 GLU 39 HG3 GLU 39 -3.243 1.218 5.181
294 H LEU 40 H LEU 40 -1.716 4.815 2.237
295 HA LEU 40 HA LEU 40 -1.711 7.422 3.445
296 HB2 LEU 40 HB2 LEU 40 -2.619 6.524 0.723
297 HB3 LEU 40 HB3 LEU 40 -2.442 8.190 1.223
298 HG LEU 40 HG LEU 40 -0.189 6.191 1.007
299 HD11 LEU 40 HD11 LEU 40 -0.969 8.481 -0.773
300 HD12 LEU 40 HD12 LEU 40 -1.040 6.763 -1.165
301 HD13 LEU 40 HD13 LEU 40 0.519 7.543 -0.902
302 HD21 LEU 40 HD21 LEU 40 -0.182 9.141 1.626
303 HD22 LEU 40 HD22 LEU 40 1.251 8.164 1.314
304 HD23 LEU 40 HD23 LEU 40 0.254 7.837 2.730
Start of MODEL 4
1 H1 GLY -1 H1 GLY -1 -26.792 -2.422 -6.049
2 H2 GLY -1 H2 GLY -1 -26.556 -3.801 -6.996
3 H3 GLY -1 H3 GLY -1 -27.403 -2.482 -7.626
4 HA2 GLY -1 HA3 GLY -1 -25.172 -2.556 -8.528
5 HA3 GLY -1 HA2 GLY -1 -25.422 -1.120 -7.545
6 H SER 0 H SER 0 -24.297 -0.871 -5.641
7 HA SER 0 HA SER 0 -22.664 -3.034 -4.632
8 HB2 SER 0 HB2 SER 0 -21.284 -2.028 -6.454
9 HB3 SER 0 HB3 SER 0 -21.363 -0.481 -5.616
10 HG SER 0 HG SER 0 -19.693 -2.531 -5.198
11 H MET 1 H MET 1 -22.483 -2.884 -2.482
12 HA MET 1 HA MET 1 -23.516 -0.528 -1.136
13 HB2 MET 1 HB2 MET 1 -22.521 -3.178 -0.074
14 HB3 MET 1 HB3 MET 1 -23.147 -1.885 0.937
15 HG2 MET 1 HG2 MET 1 -25.306 -2.049 -0.185
16 HG3 MET 1 HG3 MET 1 -24.678 -3.340 -1.206
17 HE1 MET 1 HE1 MET 1 -24.099 -5.746 -0.381
18 HE2 MET 1 HE2 MET 1 -24.134 -6.255 1.306
19 HE3 MET 1 HE3 MET 1 -22.933 -5.083 0.764
20 H ALA 2 H ALA 2 -22.304 0.985 -0.111
21 HA ALA 2 HA ALA 2 -19.422 0.814 -0.538
22 HB1 ALA 2 HB1 ALA 2 -20.579 2.828 -1.302
23 HB2 ALA 2 HB2 ALA 2 -19.397 3.204 -0.047
24 HB3 ALA 2 HB3 ALA 2 -21.115 3.148 0.348
25 H GLU 3 H GLU 3 -21.370 -0.244 1.741
26 HA GLU 3 HA GLU 3 -20.330 0.793 4.140
27 HB2 GLU 3 HB2 GLU 3 -22.448 -0.503 3.960
28 HB3 GLU 3 HB3 GLU 3 -21.503 -1.952 3.652
29 HG2 GLU 3 HG2 GLU 3 -22.191 -1.936 5.939
30 HG3 GLU 3 HG3 GLU 3 -20.447 -1.695 5.865
31 H ALA 4 H ALA 4 -19.381 -1.855 2.044
32 HA ALA 4 HA ALA 4 -17.290 -2.741 3.827
33 HB1 ALA 4 HB1 ALA 4 -16.798 -4.393 2.110
34 HB2 ALA 4 HB2 ALA 4 -17.905 -3.590 0.998
35 HB3 ALA 4 HB3 ALA 4 -18.527 -4.360 2.458
36 H SER 5 H SER 5 -15.288 -1.967 3.855
37 HA SER 5 HA SER 5 -14.444 -0.037 1.889
38 HB2 SER 5 HB2 SER 5 -12.295 -0.107 3.314
39 HB3 SER 5 HB3 SER 5 -13.760 0.504 4.079
40 HG SER 5 HG SER 5 -13.770 -1.141 5.396
41 HA PRO 6 HA PRO 6 -12.558 -3.043 -0.737
42 HB2 PRO 6 HB2 PRO 6 -11.200 -1.385 -2.369
43 HB3 PRO 6 HB3 PRO 6 -12.961 -1.532 -2.420
44 HG2 PRO 6 HG2 PRO 6 -11.273 0.552 -1.088
45 HG3 PRO 6 HG3 PRO 6 -12.744 0.756 -2.056
46 HD2 PRO 6 HD2 PRO 6 -12.745 0.782 0.659
47 HD3 PRO 6 HD3 PRO 6 -14.126 0.219 -0.296
48 H HIS 7 H HIS 7 -11.056 -1.641 1.714
49 HA HIS 7 HA HIS 7 -9.140 -2.104 2.822
50 HB2 HIS 7 HB2 HIS 7 -9.289 -4.359 2.039
51 HB3 HIS 7 HB3 HIS 7 -8.640 -3.934 0.470
52 HD1 HIS 7 HD1 HIS 7 -6.061 -3.567 0.334
53 HD2 HIS 7 HD2 HIS 7 -7.447 -4.801 4.051
54 HE1 HIS 7 HE1 HIS 7 -4.016 -4.251 1.627
55 HE2 HIS 7 HE2 HIS 7 -4.886 -5.112 3.831
56 HA PRO 8 HA PRO 8 -6.562 1.148 1.388
57 HB2 PRO 8 HB2 PRO 8 -4.407 -0.076 3.002
58 HB3 PRO 8 HB3 PRO 8 -5.130 1.530 3.126
59 HG2 PRO 8 HG2 PRO 8 -5.635 -0.361 4.939
60 HG3 PRO 8 HG3 PRO 8 -6.893 0.780 4.423
61 HD2 PRO 8 HD2 PRO 8 -6.471 -2.073 3.623
62 HD3 PRO 8 HD3 PRO 8 -7.990 -1.222 3.965
63 H GLY 9 H GLY 9 -5.162 1.490 -0.267
64 HA2 GLY 9 HA2 GLY 9 -3.594 -0.801 -1.219
65 HA3 GLY 9 HA3 GLY 9 -4.728 -0.024 -2.311
66 H ARG 10 H ARG 10 -4.293 2.639 -1.445
67 HA ARG 10 HA ARG 10 -1.857 3.233 -2.825
68 HB2 ARG 10 HB2 ARG 10 -2.417 5.606 -2.212
69 HB3 ARG 10 HB3 ARG 10 -3.653 4.769 -3.139
70 HG2 ARG 10 HG2 ARG 10 -5.096 4.636 -1.353
71 HG3 ARG 10 HG3 ARG 10 -3.812 4.828 -0.161
72 HD2 ARG 10 HD2 ARG 10 -4.526 6.949 -0.051
73 HD3 ARG 10 HD3 ARG 10 -3.638 7.147 -1.558
74 HE ARG 10 HE ARG 10 -5.875 6.557 -2.633
75 HH11 ARG 10 HH11 ARG 10 -5.545 8.231 0.421
76 HH12 ARG 10 HH12 ARG 10 -7.019 9.126 0.233
77 HH21 ARG 10 HH21 ARG 10 -7.825 7.734 -2.881
78 HH22 ARG 10 HH22 ARG 10 -8.315 8.845 -1.644
79 H TYR 11 H TYR 11 -0.040 2.714 -1.819
80 HA TYR 11 HA TYR 11 0.350 3.733 0.918
81 HB2 TYR 11 HB2 TYR 11 1.275 1.217 -0.398
82 HB3 TYR 11 HB3 TYR 11 2.320 1.973 0.797
83 HD1 TYR 11 HD2 TYR 11 -1.233 0.868 0.381
84 HD2 TYR 11 HD1 TYR 11 2.075 1.426 2.998
85 HE1 TYR 11 HE2 TYR 11 -2.500 -0.190 2.211
86 HE2 TYR 11 HE1 TYR 11 0.834 0.376 4.822
87 HH TYR 11 HH TYR 11 -2.084 -1.335 4.325
88 H PHE 12 H PHE 12 2.606 4.327 1.395
89 HA PHE 12 HA PHE 12 4.053 5.225 -0.998
90 HB2 PHE 12 HB2 PHE 12 2.807 7.032 0.317
91 HB3 PHE 12 HB3 PHE 12 4.001 6.772 1.584
92 HD1 PHE 12 HD2 PHE 12 3.421 7.955 -1.810
93 HD2 PHE 12 HD1 PHE 12 6.269 7.514 1.319
94 HE1 PHE 12 HE2 PHE 12 4.948 9.489 -2.989
95 HE2 PHE 12 HE1 PHE 12 7.807 9.048 0.144
96 HZ PHE 12 HZ PHE 12 7.139 10.041 -2.007
97 H CYS 13 H CYS 13 5.860 4.100 -1.099
98 HA CYS 13 HA CYS 13 6.969 2.840 1.238
99 HB2 CYS 13 HB2 CYS 13 7.074 1.589 -0.802
100 HB3 CYS 13 HB3 CYS 13 7.849 2.921 -1.648
101 H HIS 14 H HIS 14 8.626 3.492 2.445
102 HA HIS 14 HA HIS 14 9.711 6.134 1.999
103 HB2 HIS 14 HB2 HIS 14 9.726 4.150 4.212
104 HB3 HIS 14 HB3 HIS 14 11.077 5.284 4.144
105 HD1 HIS 14 HD1 HIS 14 10.686 7.471 5.232
106 HD2 HIS 14 HD2 HIS 14 7.128 5.600 4.182
107 HE1 HIS 14 HE1 HIS 14 8.861 8.923 6.161
108 HE2 HIS 14 HE2 HIS 14 6.713 7.854 5.383
109 H CYS 15 H CYS 15 10.573 2.941 1.282
110 HA CYS 15 HA CYS 15 13.426 3.402 1.158
111 HB2 CYS 15 HB2 CYS 15 11.745 1.054 0.266
112 HB3 CYS 15 HB3 CYS 15 13.495 1.066 0.386
113 HG CYS 15 HG CYS 15 13.311 1.661 3.233
114 H CYS 16 H CYS 16 10.695 3.484 -0.953
115 HA CYS 16 HA CYS 16 12.462 3.877 -3.274
116 HB2 CYS 16 HB2 CYS 16 9.526 3.165 -3.190
117 HB3 CYS 16 HB3 CYS 16 10.448 3.453 -4.654
118 H SER 17 H SER 17 10.484 5.442 -1.099
119 HA SER 17 HA SER 17 9.297 7.341 -0.937
120 HB2 SER 17 HB2 SER 17 10.362 9.376 -1.814
121 HB3 SER 17 HB3 SER 17 11.513 8.322 -1.001
122 HG SER 17 HG SER 17 11.640 7.545 -3.447
123 H VAL 18 H VAL 18 8.131 5.634 -2.701
124 HA VAL 18 HA VAL 18 6.788 7.517 -4.494
125 HB VAL 18 HB VAL 18 6.622 5.877 -6.287
126 HG11 VAL 18 HG11 VAL 18 8.908 5.912 -7.097
127 HG12 VAL 18 HG12 VAL 18 9.493 6.285 -5.474
128 HG13 VAL 18 HG13 VAL 18 8.491 7.450 -6.342
129 HG21 VAL 18 HG21 VAL 18 8.395 4.159 -4.568
130 HG22 VAL 18 HG22 VAL 18 7.968 3.819 -6.244
131 HG23 VAL 18 HG23 VAL 18 6.717 3.841 -5.001
132 H GLU 19 H GLU 19 4.706 6.647 -5.261
133 HA GLU 19 HA GLU 19 3.310 5.450 -3.019
134 HB2 GLU 19 HB2 GLU 19 2.477 7.469 -4.298
135 HB3 GLU 19 HB3 GLU 19 2.161 6.392 -5.650
136 HG2 GLU 19 HG2 GLU 19 1.003 5.480 -3.137
137 HG3 GLU 19 HG3 GLU 19 0.397 7.044 -3.672
138 H ILE 20 H ILE 20 2.584 3.415 -2.951
139 HA ILE 20 HA ILE 20 2.930 1.701 -5.329
140 HB ILE 20 HB ILE 20 3.869 -0.064 -3.852
141 HG12 ILE 20 HG12 ILE 20 4.764 1.738 -1.764
142 HG13 ILE 20 HG13 ILE 20 3.012 1.620 -1.813
143 HG21 ILE 20 HG21 ILE 20 5.402 1.189 -5.192
144 HG22 ILE 20 HG22 ILE 20 6.126 0.926 -3.607
145 HG23 ILE 20 HG23 ILE 20 5.436 2.498 -4.012
146 HD11 ILE 20 HD11 ILE 20 3.871 0.003 -0.284
147 HD12 ILE 20 HD12 ILE 20 4.973 -0.634 -1.505
148 HD13 ILE 20 HD13 ILE 20 3.231 -0.839 -1.696
149 H VAL 21 H VAL 21 1.911 -0.385 -5.105
150 HA VAL 21 HA VAL 21 -0.228 -0.507 -3.086
151 HB VAL 21 HB VAL 21 -1.294 -0.517 -5.208
152 HG11 VAL 21 HG11 VAL 21 -0.647 -1.952 -7.065
153 HG12 VAL 21 HG12 VAL 21 0.681 -2.605 -6.106
154 HG13 VAL 21 HG13 VAL 21 0.688 -0.906 -6.577
155 HG21 VAL 21 HG21 VAL 21 -2.276 -2.755 -5.370
156 HG22 VAL 21 HG22 VAL 21 -2.143 -2.223 -3.693
157 HG23 VAL 21 HG23 VAL 21 -0.990 -3.389 -4.342
158 HA PRO 22 HA PRO 22 2.782 -3.304 -1.387
159 HB2 PRO 22 HB2 PRO 22 0.583 -4.003 0.470
160 HB3 PRO 22 HB3 PRO 22 2.195 -3.400 0.819
161 HG2 PRO 22 HG2 PRO 22 0.076 -1.828 1.080
162 HG3 PRO 22 HG3 PRO 22 1.603 -1.199 0.431
163 HD2 PRO 22 HD2 PRO 22 -0.889 -1.981 -1.023
164 HD3 PRO 22 HD3 PRO 22 0.178 -0.587 -1.288
165 H ARG 23 H ARG 23 3.299 -5.419 -1.506
166 HA ARG 23 HA ARG 23 1.498 -7.274 -2.747
167 HB2 ARG 23 HB2 ARG 23 4.196 -7.680 -1.434
168 HB3 ARG 23 HB3 ARG 23 3.305 -8.944 -2.271
169 HG2 ARG 23 HG2 ARG 23 3.390 -7.584 -4.332
170 HG3 ARG 23 HG3 ARG 23 4.379 -6.403 -3.476
171 HD2 ARG 23 HD2 ARG 23 6.107 -8.057 -3.127
172 HD3 ARG 23 HD3 ARG 23 5.103 -9.302 -3.868
173 HE ARG 23 HE ARG 23 5.377 -7.254 -5.725
174 HH11 ARG 23 HH11 ARG 23 7.443 -9.575 -4.101
175 HH12 ARG 23 HH12 ARG 23 8.572 -9.668 -5.414
176 HH21 ARG 23 HH21 ARG 23 6.849 -7.374 -7.440
177 HH22 ARG 23 HH22 ARG 23 8.231 -8.419 -7.323
178 H LEU 24 H LEU 24 -0.183 -7.976 -1.657
179 HA LEU 24 HA LEU 24 -0.638 -7.279 0.958
180 HB2 LEU 24 HB2 LEU 24 -2.047 -8.487 -1.174
181 HB3 LEU 24 HB3 LEU 24 -2.400 -9.357 0.300
182 HG LEU 24 HG LEU 24 -3.955 -7.448 -0.254
183 HD11 LEU 24 HD11 LEU 24 -2.493 -7.354 2.376
184 HD12 LEU 24 HD12 LEU 24 -3.833 -8.426 1.973
185 HD13 LEU 24 HD13 LEU 24 -4.095 -6.685 2.059
186 HD21 LEU 24 HD21 LEU 24 -2.061 -5.946 -0.982
187 HD22 LEU 24 HD22 LEU 24 -1.694 -5.724 0.731
188 HD23 LEU 24 HD23 LEU 24 -3.255 -5.216 0.086
189 HA PRO 25 HA PRO 25 -0.152 -12.079 2.158
190 HB2 PRO 25 HB2 PRO 25 2.310 -12.369 0.491
191 HB3 PRO 25 HB3 PRO 25 1.151 -13.604 0.994
192 HG2 PRO 25 HG2 PRO 25 1.064 -12.664 -1.461
193 HG3 PRO 25 HG3 PRO 25 -0.446 -12.889 -0.557
194 HD2 PRO 25 HD2 PRO 25 1.051 -10.370 -1.150
195 HD3 PRO 25 HD3 PRO 25 -0.695 -10.662 -1.098
196 H ASP 26 H ASP 26 2.694 -10.094 1.304
197 HA ASP 26 HA ASP 26 3.773 -10.595 3.991
198 HB2 ASP 26 HB2 ASP 26 5.055 -9.733 1.417
199 HB3 ASP 26 HB3 ASP 26 5.876 -9.512 2.954
200 H TYR 27 H TYR 27 2.125 -8.276 2.252
201 HA TYR 27 HA TYR 27 1.665 -6.075 2.468
202 HB2 TYR 27 HB2 TYR 27 2.180 -6.981 5.227
203 HB3 TYR 27 HB3 TYR 27 2.257 -5.241 4.977
204 HD1 TYR 27 HD2 TYR 27 0.190 -4.535 3.212
205 HD2 TYR 27 HD1 TYR 27 0.168 -7.641 6.121
206 HE1 TYR 27 HE2 TYR 27 -2.256 -4.381 3.342
207 HE2 TYR 27 HE1 TYR 27 -2.283 -7.500 6.259
208 HH TYR 27 HH TYR 27 -4.056 -5.888 5.821
209 H ILE 28 H ILE 28 4.147 -6.647 1.362
210 HA ILE 28 HA ILE 28 5.888 -4.560 2.482
211 HB ILE 28 HB ILE 28 7.674 -5.653 1.027
212 HG12 ILE 28 HG12 ILE 28 5.646 -7.903 1.031
213 HG13 ILE 28 HG13 ILE 28 6.118 -6.964 -0.376
214 HG21 ILE 28 HG21 ILE 28 8.156 -7.378 2.689
215 HG22 ILE 28 HG22 ILE 28 6.519 -7.223 3.327
216 HG23 ILE 28 HG23 ILE 28 7.643 -5.867 3.442
217 HD11 ILE 28 HD11 ILE 28 7.204 -9.139 -0.321
218 HD12 ILE 28 HD12 ILE 28 7.936 -8.737 1.233
219 HD13 ILE 28 HD13 ILE 28 8.377 -7.829 -0.213
220 H CYS 29 H CYS 29 7.513 -4.113 0.402
221 HA CYS 29 HA CYS 29 5.879 -2.499 -1.366
222 HB2 CYS 29 HB2 CYS 29 7.948 -1.649 -0.261
223 HB3 CYS 29 HB3 CYS 29 8.877 -2.842 -1.141
224 HA PRO 30 HA PRO 30 6.280 -5.539 -4.599
225 HB2 PRO 30 HB2 PRO 30 5.306 -4.124 -6.660
226 HB3 PRO 30 HB3 PRO 30 4.262 -4.659 -5.338
227 HG2 PRO 30 HG2 PRO 30 5.430 -1.966 -5.865
228 HG3 PRO 30 HG3 PRO 30 3.831 -2.387 -5.232
229 HD2 PRO 30 HD2 PRO 30 6.003 -1.577 -3.713
230 HD3 PRO 30 HD3 PRO 30 4.591 -2.461 -3.087
231 H ARG 31 H ARG 31 7.915 -2.606 -4.368
232 HA ARG 31 HA ARG 31 9.507 -3.029 -6.767
233 HB2 ARG 31 HB2 ARG 31 9.875 -0.729 -4.902
234 HB3 ARG 31 HB3 ARG 31 10.082 -0.793 -6.642
235 HG2 ARG 31 HG2 ARG 31 7.543 -1.138 -6.701
236 HG3 ARG 31 HG3 ARG 31 7.574 -0.560 -5.048
237 HD2 ARG 31 HD2 ARG 31 7.123 1.218 -6.682
238 HD3 ARG 31 HD3 ARG 31 8.567 1.503 -5.723
239 HE ARG 31 HE ARG 31 9.689 0.436 -7.833
240 HH11 ARG 31 HH11 ARG 31 6.975 2.645 -7.788
241 HH12 ARG 31 HH12 ARG 31 7.418 3.419 -9.273
242 HH21 ARG 31 HH21 ARG 31 10.264 1.440 -9.797
243 HH22 ARG 31 HH22 ARG 31 9.284 2.729 -10.420
244 H CYS 32 H CYS 32 10.003 -2.520 -3.242
245 HA CYS 32 HA CYS 32 12.710 -3.589 -3.669
246 HB2 CYS 32 HB2 CYS 32 13.548 -2.197 -1.876
247 HB3 CYS 32 HB3 CYS 32 12.732 -1.198 -3.071
248 H GLU 33 H GLU 33 9.780 -4.204 -2.199
249 HA GLU 33 HA GLU 33 9.032 -5.809 -0.770
250 HB2 GLU 33 HB2 GLU 33 11.731 -7.032 -1.369
251 HB3 GLU 33 HB3 GLU 33 10.360 -7.877 -0.666
252 HG2 GLU 33 HG2 GLU 33 9.093 -7.649 -2.669
253 HG3 GLU 33 HG3 GLU 33 10.294 -6.565 -3.368
254 H SER 34 H SER 34 10.249 -3.570 0.450
255 HA SER 34 HA SER 34 11.936 -4.596 2.574
256 HB2 SER 34 HB2 SER 34 12.794 -2.583 1.756
257 HB3 SER 34 HB3 SER 34 11.206 -1.828 1.642
258 HG SER 34 HG SER 34 12.816 -1.379 3.512
259 H GLY 35 H GLY 35 8.974 -2.606 2.420
260 HA2 GLY 35 HA2 GLY 35 7.070 -3.483 3.745
261 HA3 GLY 35 HA3 GLY 35 8.248 -3.759 5.014
262 H PHE 36 H PHE 36 9.611 -1.205 4.246
263 HA PHE 36 HA PHE 36 8.251 0.553 6.004
264 HB2 PHE 36 HB2 PHE 36 10.591 0.825 4.156
265 HB3 PHE 36 HB3 PHE 36 9.898 2.258 4.906
266 HD1 PHE 36 HD2 PHE 36 11.593 -0.947 5.566
267 HD2 PHE 36 HD1 PHE 36 10.205 2.733 7.175
268 HE1 PHE 36 HE2 PHE 36 12.880 -1.371 7.620
269 HE2 PHE 36 HE1 PHE 36 11.486 2.320 9.240
270 HZ PHE 36 HZ PHE 36 12.826 0.265 9.462
271 H ILE 37 H ILE 37 6.136 0.747 5.188
272 HA ILE 37 HA ILE 37 5.899 2.647 2.974
273 HB ILE 37 HB ILE 37 3.926 1.452 2.110
274 HG12 ILE 37 HG12 ILE 37 4.723 -0.622 4.152
275 HG13 ILE 37 HG13 ILE 37 3.182 0.184 3.993
276 HG21 ILE 37 HG21 ILE 37 5.961 1.161 0.952
277 HG22 ILE 37 HG22 ILE 37 5.211 -0.434 1.069
278 HG23 ILE 37 HG23 ILE 37 6.548 -0.006 2.138
279 HD11 ILE 37 HD11 ILE 37 3.150 -2.166 3.241
280 HD12 ILE 37 HD12 ILE 37 4.299 -1.745 1.971
281 HD13 ILE 37 HD13 ILE 37 2.690 -1.025 1.980
282 H GLU 38 H GLU 38 4.110 4.003 3.063
283 HA GLU 38 HA GLU 38 2.715 4.008 5.655
284 HB2 GLU 38 HB2 GLU 38 3.629 6.254 3.893
285 HB3 GLU 38 HB3 GLU 38 2.347 6.491 5.074
286 HG2 GLU 38 HG2 GLU 38 3.957 5.641 6.812
287 HG3 GLU 38 HG3 GLU 38 5.211 5.744 5.575
288 H GLU 39 H GLU 39 0.596 3.869 5.670
289 HA GLU 39 HA GLU 39 -0.857 3.562 3.213
290 HB2 GLU 39 HB2 GLU 39 -1.194 2.213 5.331
291 HB3 GLU 39 HB3 GLU 39 -1.924 3.639 6.041
292 HG2 GLU 39 HG2 GLU 39 -2.965 2.434 3.506
293 HG3 GLU 39 HG3 GLU 39 -3.453 1.834 5.088
294 H LEU 40 H LEU 40 -1.790 5.157 2.158
295 HA LEU 40 HA LEU 40 -1.602 7.831 3.261
296 HB2 LEU 40 HB2 LEU 40 -2.372 6.877 0.515
297 HB3 LEU 40 HB3 LEU 40 -2.159 8.554 0.967
298 HG LEU 40 HG LEU 40 0.023 6.468 1.035
299 HD11 LEU 40 HD11 LEU 40 -0.553 8.630 -0.972
300 HD12 LEU 40 HD12 LEU 40 -0.636 6.887 -1.237
301 HD13 LEU 40 HD13 LEU 40 0.916 7.657 -0.914
302 HD21 LEU 40 HD21 LEU 40 0.093 9.458 1.410
303 HD22 LEU 40 HD22 LEU 40 1.505 8.407 1.308
304 HD23 LEU 40 HD23 LEU 40 0.378 8.241 2.653
Start of MODEL 5
1 H1 GLY -1 H1 GLY -1 -8.819 -4.391 -5.889
2 H2 GLY -1 H2 GLY -1 -7.404 -3.952 -5.079
3 H3 GLY -1 H3 GLY -1 -7.354 -4.323 -6.726
4 HA2 GLY -1 HA3 GLY -1 -7.232 -1.940 -6.402
5 HA3 GLY -1 HA2 GLY -1 -8.699 -2.402 -7.251
6 H SER 0 H SER 0 -9.404 -0.253 -6.489
7 HA SER 0 HA SER 0 -9.884 0.119 -3.682
8 HB2 SER 0 HB2 SER 0 -10.937 1.685 -6.050
9 HB3 SER 0 HB3 SER 0 -10.956 2.206 -4.366
10 HG SER 0 HG SER 0 -8.965 2.828 -4.568
11 H MET 1 H MET 1 -11.386 -1.052 -2.691
12 HA MET 1 HA MET 1 -14.040 -1.260 -3.929
13 HB2 MET 1 HB2 MET 1 -12.500 -3.503 -2.612
14 HB3 MET 1 HB3 MET 1 -14.217 -3.578 -2.982
15 HG2 MET 1 HG2 MET 1 -13.738 -3.348 -5.349
16 HG3 MET 1 HG3 MET 1 -12.016 -3.209 -5.000
17 HE1 MET 1 HE1 MET 1 -12.394 -6.749 -6.705
18 HE2 MET 1 HE2 MET 1 -11.645 -5.158 -6.819
19 HE3 MET 1 HE3 MET 1 -13.384 -5.333 -7.054
20 H ALA 2 H ALA 2 -14.529 0.518 -2.501
21 HA ALA 2 HA ALA 2 -14.676 -0.200 0.343
22 HB1 ALA 2 HB1 ALA 2 -13.659 1.969 -0.186
23 HB2 ALA 2 HB2 ALA 2 -15.140 2.159 0.753
24 HB3 ALA 2 HB3 ALA 2 -15.150 2.471 -0.984
25 H GLU 3 H GLU 3 -16.402 -1.096 -1.985
26 HA GLU 3 HA GLU 3 -18.954 0.130 -1.568
27 HB2 GLU 3 HB2 GLU 3 -19.626 -1.938 -3.072
28 HB3 GLU 3 HB3 GLU 3 -18.811 -0.537 -3.744
29 HG2 GLU 3 HG2 GLU 3 -17.797 -2.492 -4.639
30 HG3 GLU 3 HG3 GLU 3 -16.655 -1.749 -3.525
31 H ALA 4 H ALA 4 -17.335 -2.711 -0.380
32 HA ALA 4 HA ALA 4 -19.507 -3.096 1.527
33 HB1 ALA 4 HB1 ALA 4 -18.490 -5.346 -0.207
34 HB2 ALA 4 HB2 ALA 4 -20.079 -4.589 -0.322
35 HB3 ALA 4 HB3 ALA 4 -19.639 -5.499 1.123
36 H SER 5 H SER 5 -16.299 -4.088 0.408
37 HA SER 5 HA SER 5 -15.511 -4.394 3.226
38 HB2 SER 5 HB2 SER 5 -15.769 -6.613 2.179
39 HB3 SER 5 HB3 SER 5 -14.639 -6.146 0.912
40 HG SER 5 HG SER 5 -14.071 -6.357 3.691
41 HA PRO 6 HA PRO 6 -12.778 -1.287 1.174
42 HB2 PRO 6 HB2 PRO 6 -12.775 -0.031 3.813
43 HB3 PRO 6 HB3 PRO 6 -13.278 0.641 2.262
44 HG2 PRO 6 HG2 PRO 6 -15.035 0.052 4.233
45 HG3 PRO 6 HG3 PRO 6 -15.451 -0.060 2.514
46 HD2 PRO 6 HD2 PRO 6 -14.725 -2.237 4.435
47 HD3 PRO 6 HD3 PRO 6 -15.970 -2.221 3.167
48 H HIS 7 H HIS 7 -10.603 -1.346 1.194
49 HA HIS 7 HA HIS 7 -9.215 -2.248 3.600
50 HB2 HIS 7 HB2 HIS 7 -7.963 -3.953 2.443
51 HB3 HIS 7 HB3 HIS 7 -9.666 -4.271 2.200
52 HD1 HIS 7 HD1 HIS 7 -6.561 -3.244 0.376
53 HD2 HIS 7 HD2 HIS 7 -10.553 -4.081 -0.452
54 HE1 HIS 7 HE1 HIS 7 -6.705 -3.456 -2.125
55 HE2 HIS 7 HE2 HIS 7 -9.150 -3.828 -2.613
56 HA PRO 8 HA PRO 8 -6.230 0.737 2.244
57 HB2 PRO 8 HB2 PRO 8 -3.954 -0.343 3.300
58 HB3 PRO 8 HB3 PRO 8 -5.137 0.554 4.245
59 HG2 PRO 8 HG2 PRO 8 -4.682 -2.371 4.043
60 HG3 PRO 8 HG3 PRO 8 -5.205 -1.406 5.430
61 HD2 PRO 8 HD2 PRO 8 -6.862 -2.938 3.881
62 HD3 PRO 8 HD3 PRO 8 -7.393 -1.552 4.842
63 H GLY 9 H GLY 9 -4.692 1.047 0.601
64 HA2 GLY 9 HA2 GLY 9 -3.544 -1.251 -0.730
65 HA3 GLY 9 HA3 GLY 9 -4.824 -0.461 -1.635
66 H ARG 10 H ARG 10 -4.297 2.189 -0.886
67 HA ARG 10 HA ARG 10 -2.018 2.755 -2.543
68 HB2 ARG 10 HB2 ARG 10 -2.626 5.146 -2.023
69 HB3 ARG 10 HB3 ARG 10 -3.880 4.207 -2.812
70 HG2 ARG 10 HG2 ARG 10 -5.130 4.014 -0.848
71 HG3 ARG 10 HG3 ARG 10 -3.794 4.560 0.162
72 HD2 ARG 10 HD2 ARG 10 -5.022 6.485 0.044
73 HD3 ARG 10 HD3 ARG 10 -3.992 6.685 -1.369
74 HE ARG 10 HE ARG 10 -5.962 5.618 -2.608
75 HH11 ARG 10 HH11 ARG 10 -6.261 7.736 0.160
76 HH12 ARG 10 HH12 ARG 10 -7.822 8.333 -0.303
77 HH21 ARG 10 HH21 ARG 10 -8.018 6.413 -3.230
78 HH22 ARG 10 HH22 ARG 10 -8.823 7.580 -2.227
79 H TYR 11 H TYR 11 -0.036 2.669 -1.763
80 HA TYR 11 HA TYR 11 0.419 3.635 0.978
81 HB2 TYR 11 HB2 TYR 11 1.397 1.146 -0.350
82 HB3 TYR 11 HB3 TYR 11 2.417 1.939 0.842
83 HD1 TYR 11 HD2 TYR 11 -1.094 0.731 0.430
84 HD2 TYR 11 HD1 TYR 11 2.197 1.353 3.041
85 HE1 TYR 11 HE2 TYR 11 -2.315 -0.394 2.235
86 HE2 TYR 11 HE1 TYR 11 0.996 0.235 4.853
87 HH TYR 11 HH TYR 11 -1.283 -0.291 5.499
88 H PHE 12 H PHE 12 2.628 4.298 1.388
89 HA PHE 12 HA PHE 12 4.046 5.186 -1.026
90 HB2 PHE 12 HB2 PHE 12 2.755 6.989 0.277
91 HB3 PHE 12 HB3 PHE 12 3.983 6.785 1.524
92 HD1 PHE 12 HD2 PHE 12 3.299 7.853 -1.885
93 HD2 PHE 12 HD1 PHE 12 6.221 7.577 1.193
94 HE1 PHE 12 HE2 PHE 12 4.766 9.386 -3.142
95 HE2 PHE 12 HE1 PHE 12 7.704 9.103 -0.062
96 HZ PHE 12 HZ PHE 12 6.962 10.011 -2.229
97 H CYS 13 H CYS 13 5.894 4.107 -1.100
98 HA CYS 13 HA CYS 13 7.009 2.881 1.248
99 HB2 CYS 13 HB2 CYS 13 7.157 1.677 -0.837
100 HB3 CYS 13 HB3 CYS 13 7.972 3.027 -1.611
101 H HIS 14 H HIS 14 8.635 3.559 2.480
102 HA HIS 14 HA HIS 14 9.697 6.214 2.106
103 HB2 HIS 14 HB2 HIS 14 9.884 4.104 4.209
104 HB3 HIS 14 HB3 HIS 14 11.148 5.330 4.156
105 HD1 HIS 14 HD1 HIS 14 10.659 7.118 5.767
106 HD2 HIS 14 HD2 HIS 14 7.198 5.648 4.004
107 HE1 HIS 14 HE1 HIS 14 8.780 8.475 6.735
108 HE2 HIS 14 HE2 HIS 14 6.722 7.708 5.493
109 H CYS 15 H CYS 15 10.747 2.936 1.688
110 HA CYS 15 HA CYS 15 13.511 3.425 1.371
111 HB2 CYS 15 HB2 CYS 15 11.865 1.157 0.235
112 HB3 CYS 15 HB3 CYS 15 13.587 1.130 0.583
113 HG CYS 15 HG CYS 15 13.071 -0.146 2.767
114 H CYS 16 H CYS 16 10.796 3.319 -0.880
115 HA CYS 16 HA CYS 16 12.590 3.913 -3.123
116 HB2 CYS 16 HB2 CYS 16 9.646 3.232 -3.112
117 HB3 CYS 16 HB3 CYS 16 10.607 3.534 -4.546
118 H SER 17 H SER 17 10.570 5.420 -0.936
119 HA SER 17 HA SER 17 9.401 7.329 -0.745
120 HB2 SER 17 HB2 SER 17 10.512 9.380 -1.629
121 HB3 SER 17 HB3 SER 17 11.558 8.341 -0.669
122 HG SER 17 HG SER 17 11.710 7.624 -3.256
123 H VAL 18 H VAL 18 8.297 5.678 -2.629
124 HA VAL 18 HA VAL 18 6.988 7.637 -4.368
125 HB VAL 18 HB VAL 18 6.883 6.085 -6.234
126 HG11 VAL 18 HG11 VAL 18 9.208 6.116 -6.948
127 HG12 VAL 18 HG12 VAL 18 9.721 6.434 -5.291
128 HG13 VAL 18 HG13 VAL 18 8.764 7.633 -6.165
129 HG21 VAL 18 HG21 VAL 18 8.582 4.270 -4.537
130 HG22 VAL 18 HG22 VAL 18 8.204 4.010 -6.239
131 HG23 VAL 18 HG23 VAL 18 6.916 3.989 -5.036
132 H GLU 19 H GLU 19 4.932 6.796 -5.231
133 HA GLU 19 HA GLU 19 3.442 5.575 -3.077
134 HB2 GLU 19 HB2 GLU 19 2.778 7.521 -4.761
135 HB3 GLU 19 HB3 GLU 19 2.199 6.170 -5.722
136 HG2 GLU 19 HG2 GLU 19 0.965 5.458 -3.618
137 HG3 GLU 19 HG3 GLU 19 1.308 7.069 -3.016
138 H ILE 20 H ILE 20 2.675 3.532 -3.018
139 HA ILE 20 HA ILE 20 3.101 1.789 -5.354
140 HB ILE 20 HB ILE 20 4.054 0.044 -3.893
141 HG12 ILE 20 HG12 ILE 20 4.817 1.844 -1.739
142 HG13 ILE 20 HG13 ILE 20 3.076 1.622 -1.841
143 HG21 ILE 20 HG21 ILE 20 5.596 2.632 -3.876
144 HG22 ILE 20 HG22 ILE 20 5.576 1.427 -5.164
145 HG23 ILE 20 HG23 ILE 20 6.281 1.030 -3.598
146 HD11 ILE 20 HD11 ILE 20 4.017 0.023 -0.323
147 HD12 ILE 20 HD12 ILE 20 5.149 -0.537 -1.556
148 HD13 ILE 20 HD13 ILE 20 3.418 -0.813 -1.755
149 H VAL 21 H VAL 21 2.114 -0.319 -5.083
150 HA VAL 21 HA VAL 21 -0.061 -0.425 -3.103
151 HB VAL 21 HB VAL 21 -1.093 -0.374 -5.257
152 HG11 VAL 21 HG11 VAL 21 -0.479 -1.856 -7.091
153 HG12 VAL 21 HG12 VAL 21 0.817 -2.543 -6.111
154 HG13 VAL 21 HG13 VAL 21 0.885 -0.848 -6.599
155 HG21 VAL 21 HG21 VAL 21 -2.160 -2.579 -5.414
156 HG22 VAL 21 HG22 VAL 21 -2.040 -2.026 -3.744
157 HG23 VAL 21 HG23 VAL 21 -0.922 -3.247 -4.350
158 HA PRO 22 HA PRO 22 2.883 -3.378 -1.540
159 HB2 PRO 22 HB2 PRO 22 0.807 -4.006 0.446
160 HB3 PRO 22 HB3 PRO 22 2.430 -3.370 0.682
161 HG2 PRO 22 HG2 PRO 22 0.268 -1.847 1.036
162 HG3 PRO 22 HG3 PRO 22 1.770 -1.190 0.358
163 HD2 PRO 22 HD2 PRO 22 -0.742 -2.003 -1.048
164 HD3 PRO 22 HD3 PRO 22 0.291 -0.585 -1.318
165 H ARG 23 H ARG 23 3.224 -5.553 -1.483
166 HA ARG 23 HA ARG 23 1.260 -7.299 -2.661
167 HB2 ARG 23 HB2 ARG 23 3.937 -7.870 -1.361
168 HB3 ARG 23 HB3 ARG 23 2.956 -9.067 -2.190
169 HG2 ARG 23 HG2 ARG 23 3.170 -7.804 -4.271
170 HG3 ARG 23 HG3 ARG 23 4.155 -6.605 -3.436
171 HD2 ARG 23 HD2 ARG 23 5.783 -8.388 -2.902
172 HD3 ARG 23 HD3 ARG 23 4.818 -9.514 -3.852
173 HE ARG 23 HE ARG 23 5.293 -7.523 -5.605
174 HH11 ARG 23 HH11 ARG 23 7.361 -9.453 -3.556
175 HH12 ARG 23 HH12 ARG 23 8.752 -9.291 -4.579
176 HH21 ARG 23 HH21 ARG 23 7.110 -7.313 -6.974
177 HH22 ARG 23 HH22 ARG 23 8.614 -8.059 -6.525
178 H LEU 24 H LEU 24 -0.467 -7.703 -1.455
179 HA LEU 24 HA LEU 24 -0.758 -6.970 1.155
180 HB2 LEU 24 HB2 LEU 24 -2.316 -8.257 -0.882
181 HB3 LEU 24 HB3 LEU 24 -2.726 -8.844 0.708
182 HG LEU 24 HG LEU 24 -4.058 -6.868 -0.164
183 HD11 LEU 24 HD11 LEU 24 -4.134 -5.787 2.025
184 HD12 LEU 24 HD12 LEU 24 -2.649 -6.622 2.481
185 HD13 LEU 24 HD13 LEU 24 -4.119 -7.544 2.161
186 HD21 LEU 24 HD21 LEU 24 -1.577 -5.346 0.614
187 HD22 LEU 24 HD22 LEU 24 -3.099 -4.681 0.019
188 HD23 LEU 24 HD23 LEU 24 -2.083 -5.647 -1.049
189 HA PRO 25 HA PRO 25 -0.532 -11.726 2.497
190 HB2 PRO 25 HB2 PRO 25 1.695 -12.395 0.630
191 HB3 PRO 25 HB3 PRO 25 0.421 -13.436 1.272
192 HG2 PRO 25 HG2 PRO 25 0.274 -12.568 -1.212
193 HG3 PRO 25 HG3 PRO 25 -1.178 -12.566 -0.191
194 HD2 PRO 25 HD2 PRO 25 0.598 -10.285 -0.962
195 HD3 PRO 25 HD3 PRO 25 -1.166 -10.344 -0.825
196 H ASP 26 H ASP 26 2.191 -9.759 1.399
197 HA ASP 26 HA ASP 26 3.632 -10.468 3.874
198 HB2 ASP 26 HB2 ASP 26 4.654 -9.625 1.171
199 HB3 ASP 26 HB3 ASP 26 5.669 -9.577 2.607
200 H TYR 27 H TYR 27 1.979 -8.025 2.311
201 HA TYR 27 HA TYR 27 1.784 -5.786 2.469
202 HB2 TYR 27 HB2 TYR 27 2.444 -6.630 5.240
203 HB3 TYR 27 HB3 TYR 27 2.497 -4.907 4.882
204 HD1 TYR 27 HD2 TYR 27 0.316 -4.345 3.176
205 HD2 TYR 27 HD1 TYR 27 0.494 -7.192 6.335
206 HE1 TYR 27 HE2 TYR 27 -2.118 -4.191 3.441
207 HE2 TYR 27 HE1 TYR 27 -1.946 -7.052 6.604
208 HH TYR 27 HH TYR 27 -3.760 -5.419 6.121
209 H ILE 28 H ILE 28 4.223 -6.702 1.331
210 HA ILE 28 HA ILE 28 6.121 -4.673 2.269
211 HB ILE 28 HB ILE 28 7.783 -5.854 0.810
212 HG12 ILE 28 HG12 ILE 28 5.634 -7.986 0.724
213 HG13 ILE 28 HG13 ILE 28 6.139 -7.005 -0.642
214 HG21 ILE 28 HG21 ILE 28 7.750 -6.175 3.210
215 HG22 ILE 28 HG22 ILE 28 8.152 -7.688 2.398
216 HG23 ILE 28 HG23 ILE 28 6.532 -7.440 3.050
217 HD11 ILE 28 HD11 ILE 28 7.123 -9.216 -0.735
218 HD12 ILE 28 HD12 ILE 28 7.857 -8.972 0.850
219 HD13 ILE 28 HD13 ILE 28 8.368 -7.987 -0.520
220 H CYS 29 H CYS 29 7.630 -4.181 0.228
221 HA CYS 29 HA CYS 29 5.958 -2.526 -1.471
222 HB2 CYS 29 HB2 CYS 29 7.981 -1.671 -0.296
223 HB3 CYS 29 HB3 CYS 29 8.961 -2.788 -1.217
224 HA PRO 30 HA PRO 30 6.481 -5.347 -4.883
225 HB2 PRO 30 HB2 PRO 30 5.567 -3.798 -6.875
226 HB3 PRO 30 HB3 PRO 30 4.484 -4.435 -5.632
227 HG2 PRO 30 HG2 PRO 30 5.657 -1.702 -5.908
228 HG3 PRO 30 HG3 PRO 30 4.027 -2.172 -5.398
229 HD2 PRO 30 HD2 PRO 30 6.073 -1.466 -3.689
230 HD3 PRO 30 HD3 PRO 30 4.673 -2.459 -3.227
231 H ARG 31 H ARG 31 8.071 -2.374 -4.473
232 HA ARG 31 HA ARG 31 9.746 -2.713 -6.827
233 HB2 ARG 31 HB2 ARG 31 10.035 -0.461 -4.892
234 HB3 ARG 31 HB3 ARG 31 10.300 -0.478 -6.623
235 HG2 ARG 31 HG2 ARG 31 7.680 -0.975 -6.569
236 HG3 ARG 31 HG3 ARG 31 7.833 -0.059 -5.079
237 HD2 ARG 31 HD2 ARG 31 7.320 1.437 -6.872
238 HD3 ARG 31 HD3 ARG 31 8.965 1.726 -6.330
239 HE ARG 31 HE ARG 31 9.655 0.339 -8.304
240 HH11 ARG 31 HH11 ARG 31 6.602 2.054 -8.300
241 HH12 ARG 31 HH12 ARG 31 6.554 2.228 -10.021
242 HH21 ARG 31 HH21 ARG 31 9.589 0.570 -10.576
243 HH22 ARG 31 HH22 ARG 31 8.254 1.396 -11.314
244 H CYS 32 H CYS 32 10.050 -2.548 -3.265
245 HA CYS 32 HA CYS 32 12.803 -3.512 -3.642
246 HB2 CYS 32 HB2 CYS 32 13.581 -2.184 -1.783
247 HB3 CYS 32 HB3 CYS 32 12.807 -1.148 -2.974
248 H GLU 33 H GLU 33 9.836 -4.175 -2.264
249 HA GLU 33 HA GLU 33 9.061 -5.812 -0.896
250 HB2 GLU 33 HB2 GLU 33 11.791 -7.007 -1.400
251 HB3 GLU 33 HB3 GLU 33 10.397 -7.870 -0.771
252 HG2 GLU 33 HG2 GLU 33 9.209 -7.570 -2.835
253 HG3 GLU 33 HG3 GLU 33 10.494 -6.543 -3.468
254 H SER 34 H SER 34 10.220 -3.570 0.391
255 HA SER 34 HA SER 34 11.831 -4.633 2.561
256 HB2 SER 34 HB2 SER 34 12.775 -2.661 1.713
257 HB3 SER 34 HB3 SER 34 11.224 -1.830 1.632
258 HG SER 34 HG SER 34 12.969 -2.157 3.752
259 H GLY 35 H GLY 35 8.960 -2.511 2.332
260 HA2 GLY 35 HA2 GLY 35 6.967 -3.290 3.543
261 HA3 GLY 35 HA3 GLY 35 8.064 -3.763 4.825
262 H PHE 36 H PHE 36 9.562 -1.138 4.139
263 HA PHE 36 HA PHE 36 8.220 0.516 6.041
264 HB2 PHE 36 HB2 PHE 36 10.612 0.871 4.278
265 HB3 PHE 36 HB3 PHE 36 9.913 2.267 5.089
266 HD1 PHE 36 HD2 PHE 36 10.933 -1.226 5.903
267 HD2 PHE 36 HD1 PHE 36 10.771 2.847 7.105
268 HE1 PHE 36 HE2 PHE 36 12.159 -1.794 7.957
269 HE2 PHE 36 HE1 PHE 36 11.994 2.290 9.172
270 HZ PHE 36 HZ PHE 36 12.690 -0.033 9.597
271 H ILE 37 H ILE 37 6.133 0.774 5.189
272 HA ILE 37 HA ILE 37 5.947 2.676 2.968
273 HB ILE 37 HB ILE 37 3.993 1.420 2.080
274 HG12 ILE 37 HG12 ILE 37 4.891 -0.634 4.106
275 HG13 ILE 37 HG13 ILE 37 3.312 0.107 3.966
276 HG21 ILE 37 HG21 ILE 37 6.042 1.217 0.922
277 HG22 ILE 37 HG22 ILE 37 5.373 -0.414 1.045
278 HG23 ILE 37 HG23 ILE 37 6.684 0.088 2.115
279 HD11 ILE 37 HD11 ILE 37 2.888 -1.086 1.913
280 HD12 ILE 37 HD12 ILE 37 3.349 -2.219 3.182
281 HD13 ILE 37 HD13 ILE 37 4.514 -1.764 1.938
282 H GLU 38 H GLU 38 4.088 3.976 2.974
283 HA GLU 38 HA GLU 38 2.704 4.046 5.570
284 HB2 GLU 38 HB2 GLU 38 3.529 6.247 3.707
285 HB3 GLU 38 HB3 GLU 38 2.306 6.497 4.944
286 HG2 GLU 38 HG2 GLU 38 4.001 5.724 6.623
287 HG3 GLU 38 HG3 GLU 38 5.195 5.780 5.327
288 H GLU 39 H GLU 39 0.630 3.642 5.567
289 HA GLU 39 HA GLU 39 -0.882 3.347 3.162
290 HB2 GLU 39 HB2 GLU 39 -1.133 1.981 5.275
291 HB3 GLU 39 HB3 GLU 39 -1.872 3.385 6.019
292 HG2 GLU 39 HG2 GLU 39 -2.992 2.298 3.483
293 HG3 GLU 39 HG3 GLU 39 -3.331 1.488 5.011
294 H LEU 40 H LEU 40 -1.788 4.944 2.099
295 HA LEU 40 HA LEU 40 -1.711 7.609 3.184
296 HB2 LEU 40 HB2 LEU 40 -2.692 6.613 0.521
297 HB3 LEU 40 HB3 LEU 40 -2.483 8.297 0.948
298 HG LEU 40 HG LEU 40 -0.284 6.244 0.726
299 HD11 LEU 40 HD11 LEU 40 0.432 7.605 -1.185
300 HD12 LEU 40 HD12 LEU 40 -1.049 8.552 -1.034
301 HD13 LEU 40 HD13 LEU 40 -1.134 6.834 -1.428
302 HD21 LEU 40 HD21 LEU 40 1.224 8.174 1.011
303 HD22 LEU 40 HD22 LEU 40 0.250 7.862 2.446
304 HD23 LEU 40 HD23 LEU 40 -0.174 9.189 1.364
Start of MODEL 6
1 H1 GLY -1 H1 GLY -1 -22.938 15.035 4.660
2 H2 GLY -1 H2 GLY -1 -23.404 14.736 3.065
3 H3 GLY -1 H3 GLY -1 -22.033 13.979 3.700
4 HA2 GLY -1 HA3 GLY -1 -23.369 12.717 5.237
5 HA3 GLY -1 HA2 GLY -1 -24.806 13.552 4.663
6 H SER 0 H SER 0 -22.036 11.858 3.189
7 HA SER 0 HA SER 0 -23.932 10.178 1.733
8 HB2 SER 0 HB2 SER 0 -21.644 11.688 0.450
9 HB3 SER 0 HB3 SER 0 -22.652 10.487 -0.360
10 HG SER 0 HG SER 0 -24.465 11.863 0.157
11 H MET 1 H MET 1 -23.397 8.413 2.931
12 HA MET 1 HA MET 1 -20.640 7.662 3.344
13 HB2 MET 1 HB2 MET 1 -23.241 6.264 4.001
14 HB3 MET 1 HB3 MET 1 -21.658 5.611 4.391
15 HG2 MET 1 HG2 MET 1 -22.538 6.634 6.346
16 HG3 MET 1 HG3 MET 1 -21.222 7.639 5.753
17 HE1 MET 1 HE1 MET 1 -21.973 9.645 7.254
18 HE2 MET 1 HE2 MET 1 -23.295 8.681 7.912
19 HE3 MET 1 HE3 MET 1 -23.608 10.301 7.292
20 H ALA 2 H ALA 2 -19.930 7.467 1.191
21 HA ALA 2 HA ALA 2 -21.182 5.389 -0.445
22 HB1 ALA 2 HB1 ALA 2 -20.774 7.567 -1.502
23 HB2 ALA 2 HB2 ALA 2 -19.846 6.284 -2.278
24 HB3 ALA 2 HB3 ALA 2 -19.051 7.400 -1.168
25 H GLU 3 H GLU 3 -18.352 6.186 1.356
26 HA GLU 3 HA GLU 3 -17.381 3.485 0.872
27 HB2 GLU 3 HB2 GLU 3 -15.882 5.094 -0.227
28 HB3 GLU 3 HB3 GLU 3 -15.666 5.934 1.302
29 HG2 GLU 3 HG2 GLU 3 -13.780 4.493 0.787
30 HG3 GLU 3 HG3 GLU 3 -14.605 3.986 2.260
31 H ALA 4 H ALA 4 -18.002 2.451 2.654
32 HA ALA 4 HA ALA 4 -17.636 3.769 5.252
33 HB1 ALA 4 HB1 ALA 4 -19.196 2.119 6.133
34 HB2 ALA 4 HB2 ALA 4 -19.275 1.331 4.558
35 HB3 ALA 4 HB3 ALA 4 -19.900 2.969 4.758
36 H SER 5 H SER 5 -15.969 1.815 3.257
37 HA SER 5 HA SER 5 -14.685 0.413 5.503
38 HB2 SER 5 HB2 SER 5 -14.967 -0.658 2.686
39 HB3 SER 5 HB3 SER 5 -14.266 -1.496 4.070
40 HG SER 5 HG SER 5 -16.967 -0.787 3.617
41 HA PRO 6 HA PRO 6 -11.465 3.146 3.708
42 HB2 PRO 6 HB2 PRO 6 -10.247 2.498 6.327
43 HB3 PRO 6 HB3 PRO 6 -10.511 4.071 5.570
44 HG2 PRO 6 HG2 PRO 6 -12.000 3.287 7.636
45 HG3 PRO 6 HG3 PRO 6 -12.711 4.197 6.289
46 HD2 PRO 6 HD2 PRO 6 -12.829 1.257 6.859
47 HD3 PRO 6 HD3 PRO 6 -14.116 2.348 6.299
48 H HIS 7 H HIS 7 -10.990 1.425 2.218
49 HA HIS 7 HA HIS 7 -9.421 -0.812 3.140
50 HB2 HIS 7 HB2 HIS 7 -11.093 -1.252 1.499
51 HB3 HIS 7 HB3 HIS 7 -10.460 -0.024 0.429
52 HD1 HIS 7 HD1 HIS 7 -9.886 -3.535 1.570
53 HD2 HIS 7 HD2 HIS 7 -8.316 -0.828 -1.166
54 HE1 HIS 7 HE1 HIS 7 -8.400 -4.883 0.061
55 HE2 HIS 7 HE2 HIS 7 -7.627 -3.259 -1.700
56 HA PRO 8 HA PRO 8 -5.591 1.193 2.186
57 HB2 PRO 8 HB2 PRO 8 -4.102 -1.140 2.723
58 HB3 PRO 8 HB3 PRO 8 -4.493 0.146 3.861
59 HG2 PRO 8 HG2 PRO 8 -5.423 -2.505 3.920
60 HG3 PRO 8 HG3 PRO 8 -6.010 -1.157 4.906
61 HD2 PRO 8 HD2 PRO 8 -7.187 -2.364 2.463
62 HD3 PRO 8 HD3 PRO 8 -7.982 -1.530 3.808
63 H GLY 9 H GLY 9 -4.772 1.543 0.222
64 HA2 GLY 9 HA2 GLY 9 -4.003 -0.738 -1.431
65 HA3 GLY 9 HA3 GLY 9 -5.135 0.414 -2.126
66 H ARG 10 H ARG 10 -4.336 2.779 -1.579
67 HA ARG 10 HA ARG 10 -1.836 3.150 -2.899
68 HB2 ARG 10 HB2 ARG 10 -2.247 5.581 -2.311
69 HB3 ARG 10 HB3 ARG 10 -3.491 4.807 -3.283
70 HG2 ARG 10 HG2 ARG 10 -5.003 4.741 -1.530
71 HG3 ARG 10 HG3 ARG 10 -3.748 4.917 -0.307
72 HD2 ARG 10 HD2 ARG 10 -4.275 7.074 -0.255
73 HD3 ARG 10 HD3 ARG 10 -3.520 7.206 -1.839
74 HE ARG 10 HE ARG 10 -5.783 6.791 -2.771
75 HH11 ARG 10 HH11 ARG 10 -5.466 7.963 0.513
76 HH12 ARG 10 HH12 ARG 10 -6.982 8.810 0.490
77 HH21 ARG 10 HH21 ARG 10 -7.804 7.884 -2.789
78 HH22 ARG 10 HH22 ARG 10 -8.312 8.754 -1.377
79 H TYR 11 H TYR 11 0.009 2.700 -1.907
80 HA TYR 11 HA TYR 11 0.374 3.684 0.849
81 HB2 TYR 11 HB2 TYR 11 1.358 1.200 -0.496
82 HB3 TYR 11 HB3 TYR 11 2.340 1.944 0.756
83 HD1 TYR 11 HD2 TYR 11 -1.192 0.815 0.197
84 HD2 TYR 11 HD1 TYR 11 2.041 1.303 2.919
85 HE1 TYR 11 HE2 TYR 11 -2.484 -0.342 1.940
86 HE2 TYR 11 HE1 TYR 11 0.769 0.155 4.662
87 HH TYR 11 HH TYR 11 -2.039 -1.627 4.000
88 H PHE 12 H PHE 12 2.624 4.275 1.354
89 HA PHE 12 HA PHE 12 4.108 5.189 -1.011
90 HB2 PHE 12 HB2 PHE 12 2.810 6.983 0.282
91 HB3 PHE 12 HB3 PHE 12 4.003 6.757 1.557
92 HD1 PHE 12 HD2 PHE 12 3.429 7.844 -1.871
93 HD2 PHE 12 HD1 PHE 12 6.237 7.583 1.309
94 HE1 PHE 12 HE2 PHE 12 4.918 9.395 -3.069
95 HE2 PHE 12 HE1 PHE 12 7.747 9.132 0.111
96 HZ PHE 12 HZ PHE 12 7.077 10.045 -2.076
97 H CYS 13 H CYS 13 5.982 4.177 -1.074
98 HA CYS 13 HA CYS 13 7.033 2.876 1.277
99 HB2 CYS 13 HB2 CYS 13 7.191 1.633 -0.747
100 HB3 CYS 13 HB3 CYS 13 7.923 2.983 -1.598
101 H HIS 14 H HIS 14 8.717 3.463 2.485
102 HA HIS 14 HA HIS 14 9.677 6.158 2.295
103 HB2 HIS 14 HB2 HIS 14 10.006 3.894 4.209
104 HB3 HIS 14 HB3 HIS 14 11.208 5.185 4.242
105 HD1 HIS 14 HD1 HIS 14 10.611 6.561 6.219
106 HD2 HIS 14 HD2 HIS 14 7.278 5.558 3.953
107 HE1 HIS 14 HE1 HIS 14 8.693 7.801 7.256
108 HE2 HIS 14 HE2 HIS 14 6.748 7.372 5.715
109 H CYS 15 H CYS 15 10.870 3.045 1.356
110 HA CYS 15 HA CYS 15 13.606 3.893 1.077
111 HB2 CYS 15 HB2 CYS 15 12.978 1.552 1.596
112 HB3 CYS 15 HB3 CYS 15 12.222 1.421 0.017
113 HG CYS 15 HG CYS 15 15.479 1.308 0.851
114 H CYS 16 H CYS 16 10.888 3.238 -1.081
115 HA CYS 16 HA CYS 16 12.454 3.975 -3.414
116 HB2 CYS 16 HB2 CYS 16 9.547 3.178 -3.186
117 HB3 CYS 16 HB3 CYS 16 10.416 3.436 -4.689
118 H SER 17 H SER 17 10.418 5.453 -1.177
119 HA SER 17 HA SER 17 9.240 7.356 -1.000
120 HB2 SER 17 HB2 SER 17 10.310 9.393 -1.862
121 HB3 SER 17 HB3 SER 17 11.455 8.333 -1.052
122 HG SER 17 HG SER 17 11.485 7.632 -3.588
123 H VAL 18 H VAL 18 8.156 5.627 -2.841
124 HA VAL 18 HA VAL 18 6.790 7.528 -4.607
125 HB VAL 18 HB VAL 18 6.601 5.882 -6.381
126 HG11 VAL 18 HG11 VAL 18 8.508 7.396 -6.456
127 HG12 VAL 18 HG12 VAL 18 8.905 5.830 -7.167
128 HG13 VAL 18 HG13 VAL 18 9.474 6.232 -5.546
129 HG21 VAL 18 HG21 VAL 18 8.317 4.126 -4.638
130 HG22 VAL 18 HG22 VAL 18 7.901 3.788 -6.317
131 HG23 VAL 18 HG23 VAL 18 6.637 3.848 -5.090
132 H GLU 19 H GLU 19 4.687 6.701 -5.328
133 HA GLU 19 HA GLU 19 3.296 5.471 -3.104
134 HB2 GLU 19 HB2 GLU 19 2.463 7.446 -4.555
135 HB3 GLU 19 HB3 GLU 19 2.064 6.220 -5.752
136 HG2 GLU 19 HG2 GLU 19 1.015 5.341 -3.291
137 HG3 GLU 19 HG3 GLU 19 0.593 7.041 -3.459
138 H ILE 20 H ILE 20 2.658 3.401 -3.016
139 HA ILE 20 HA ILE 20 3.059 1.703 -5.396
140 HB ILE 20 HB ILE 20 3.998 -0.058 -3.899
141 HG12 ILE 20 HG12 ILE 20 4.861 1.776 -1.828
142 HG13 ILE 20 HG13 ILE 20 3.110 1.628 -1.877
143 HG21 ILE 20 HG21 ILE 20 5.506 1.239 -5.256
144 HG22 ILE 20 HG22 ILE 20 6.241 0.929 -3.684
145 HG23 ILE 20 HG23 ILE 20 5.554 2.514 -4.037
146 HD11 ILE 20 HD11 ILE 20 3.373 -0.826 -1.742
147 HD12 ILE 20 HD12 ILE 20 3.993 0.036 -0.335
148 HD13 ILE 20 HD13 ILE 20 5.110 -0.590 -1.549
149 H VAL 21 H VAL 21 2.083 -0.400 -5.206
150 HA VAL 21 HA VAL 21 -0.091 -0.578 -3.234
151 HB VAL 21 HB VAL 21 -1.101 -0.606 -5.389
152 HG11 VAL 21 HG11 VAL 21 0.905 -2.689 -6.229
153 HG12 VAL 21 HG12 VAL 21 0.931 -0.988 -6.697
154 HG13 VAL 21 HG13 VAL 21 -0.396 -2.029 -7.223
155 HG21 VAL 21 HG21 VAL 21 -1.993 -2.289 -3.897
156 HG22 VAL 21 HG22 VAL 21 -0.785 -3.452 -4.446
157 HG23 VAL 21 HG23 VAL 21 -2.029 -2.883 -5.557
158 HA PRO 22 HA PRO 22 2.965 -3.341 -1.536
159 HB2 PRO 22 HB2 PRO 22 0.827 -4.001 0.383
160 HB3 PRO 22 HB3 PRO 22 2.430 -3.337 0.677
161 HG2 PRO 22 HG2 PRO 22 0.240 -1.839 0.930
162 HG3 PRO 22 HG3 PRO 22 1.750 -1.169 0.286
163 HD2 PRO 22 HD2 PRO 22 -0.709 -2.030 -1.174
164 HD3 PRO 22 HD3 PRO 22 0.331 -0.617 -1.450
165 H ARG 23 H ARG 23 3.408 -5.509 -1.563
166 HA ARG 23 HA ARG 23 1.553 -7.317 -2.775
167 HB2 ARG 23 HB2 ARG 23 4.126 -7.823 -1.257
168 HB3 ARG 23 HB3 ARG 23 3.217 -9.065 -2.099
169 HG2 ARG 23 HG2 ARG 23 3.588 -7.864 -4.218
170 HG3 ARG 23 HG3 ARG 23 4.561 -6.677 -3.346
171 HD2 ARG 23 HD2 ARG 23 6.062 -8.499 -2.627
172 HD3 ARG 23 HD3 ARG 23 5.121 -9.629 -3.595
173 HE ARG 23 HE ARG 23 5.825 -7.773 -5.411
174 HH11 ARG 23 HH11 ARG 23 7.643 -9.601 -3.050
175 HH12 ARG 23 HH12 ARG 23 9.133 -9.545 -3.946
176 HH21 ARG 23 HH21 ARG 23 7.761 -7.731 -6.628
177 HH22 ARG 23 HH22 ARG 23 9.185 -8.499 -6.000
178 H LEU 24 H LEU 24 -0.270 -7.664 -1.678
179 HA LEU 24 HA LEU 24 -0.629 -7.013 0.975
180 HB2 LEU 24 HB2 LEU 24 -2.213 -7.856 -1.176
181 HB3 LEU 24 HB3 LEU 24 -2.622 -8.871 0.189
182 HG LEU 24 HG LEU 24 -4.035 -6.845 0.000
183 HD11 LEU 24 HD11 LEU 24 -2.318 -7.030 2.462
184 HD12 LEU 24 HD12 LEU 24 -3.797 -7.936 2.143
185 HD13 LEU 24 HD13 LEU 24 -3.862 -6.187 2.360
186 HD21 LEU 24 HD21 LEU 24 -2.250 -5.360 -0.862
187 HD22 LEU 24 HD22 LEU 24 -1.527 -5.353 0.747
188 HD23 LEU 24 HD23 LEU 24 -3.135 -4.674 0.499
189 HA PRO 25 HA PRO 25 -0.551 -11.833 2.039
190 HB2 PRO 25 HB2 PRO 25 1.709 -12.454 0.200
191 HB3 PRO 25 HB3 PRO 25 0.382 -13.492 0.732
192 HG2 PRO 25 HG2 PRO 25 0.353 -12.470 -1.698
193 HG3 PRO 25 HG3 PRO 25 -1.136 -12.480 -0.731
194 HD2 PRO 25 HD2 PRO 25 0.752 -10.220 -1.277
195 HD3 PRO 25 HD3 PRO 25 -1.019 -10.226 -1.241
196 H ASP 26 H ASP 26 2.071 -9.638 1.301
197 HA ASP 26 HA ASP 26 3.515 -10.618 3.684
198 HB2 ASP 26 HB2 ASP 26 4.612 -9.490 1.113
199 HB3 ASP 26 HB3 ASP 26 5.580 -9.644 2.573
200 H TYR 27 H TYR 27 2.012 -7.984 2.172
201 HA TYR 27 HA TYR 27 1.739 -5.794 2.621
202 HB2 TYR 27 HB2 TYR 27 2.304 -6.949 5.276
203 HB3 TYR 27 HB3 TYR 27 2.529 -5.209 5.145
204 HD1 TYR 27 HD1 TYR 27 0.401 -4.402 3.318
205 HD2 TYR 27 HD2 TYR 27 0.333 -7.271 6.464
206 HE1 TYR 27 HE1 TYR 27 -2.009 -4.034 3.589
207 HE2 TYR 27 HE2 TYR 27 -2.085 -6.917 6.738
208 HH TYR 27 HH TYR 27 -3.985 -5.336 4.479
209 H ILE 28 H ILE 28 4.175 -6.576 1.394
210 HA ILE 28 HA ILE 28 6.017 -4.559 2.470
211 HB ILE 28 HB ILE 28 7.771 -5.690 1.085
212 HG12 ILE 28 HG12 ILE 28 5.688 -7.871 0.882
213 HG13 ILE 28 HG13 ILE 28 6.240 -6.867 -0.450
214 HG21 ILE 28 HG21 ILE 28 7.627 -6.033 3.483
215 HG22 ILE 28 HG22 ILE 28 8.149 -7.505 2.665
216 HG23 ILE 28 HG23 ILE 28 6.488 -7.357 3.241
217 HD11 ILE 28 HD11 ILE 28 7.287 -9.045 -0.510
218 HD12 ILE 28 HD12 ILE 28 7.915 -8.810 1.120
219 HD13 ILE 28 HD13 ILE 28 8.488 -7.792 -0.201
220 H CYS 29 H CYS 29 7.614 -4.114 0.422
221 HA CYS 29 HA CYS 29 5.981 -2.518 -1.376
222 HB2 CYS 29 HB2 CYS 29 8.024 -1.647 -0.209
223 HB3 CYS 29 HB3 CYS 29 8.984 -2.793 -1.117
224 HA PRO 30 HA PRO 30 6.528 -5.562 -4.594
225 HB2 PRO 30 HB2 PRO 30 5.518 -4.202 -6.665
226 HB3 PRO 30 HB3 PRO 30 4.477 -4.723 -5.334
227 HG2 PRO 30 HG2 PRO 30 5.649 -2.028 -5.881
228 HG3 PRO 30 HG3 PRO 30 4.025 -2.440 -5.309
229 HD2 PRO 30 HD2 PRO 30 6.103 -1.605 -3.698
230 HD3 PRO 30 HD3 PRO 30 4.701 -2.545 -3.131
231 H ARG 31 H ARG 31 8.096 -2.612 -4.292
232 HA ARG 31 HA ARG 31 9.678 -2.935 -6.716
233 HB2 ARG 31 HB2 ARG 31 9.791 -0.575 -4.875
234 HB3 ARG 31 HB3 ARG 31 10.140 -0.649 -6.591
235 HG2 ARG 31 HG2 ARG 31 7.597 -1.289 -6.727
236 HG3 ARG 31 HG3 ARG 31 7.539 -0.469 -5.182
237 HD2 ARG 31 HD2 ARG 31 8.283 1.540 -6.099
238 HD3 ARG 31 HD3 ARG 31 8.790 0.783 -7.602
239 HE ARG 31 HE ARG 31 5.962 0.583 -7.025
240 HH11 ARG 31 HH11 ARG 31 8.479 2.467 -8.566
241 HH12 ARG 31 HH12 ARG 31 7.398 3.211 -9.700
242 HH21 ARG 31 HH21 ARG 31 4.540 1.564 -8.516
243 HH22 ARG 31 HH22 ARG 31 5.159 2.701 -9.671
244 H CYS 32 H CYS 32 10.063 -2.606 -3.171
245 HA CYS 32 HA CYS 32 12.832 -3.507 -3.587
246 HB2 CYS 32 HB2 CYS 32 13.643 -2.080 -1.816
247 HB3 CYS 32 HB3 CYS 32 12.803 -1.106 -3.015
248 H GLU 33 H GLU 33 9.916 -4.194 -2.136
249 HA GLU 33 HA GLU 33 9.203 -5.808 -0.694
250 HB2 GLU 33 HB2 GLU 33 11.979 -6.955 -1.015
251 HB3 GLU 33 HB3 GLU 33 10.529 -7.819 -0.531
252 HG2 GLU 33 HG2 GLU 33 9.566 -7.535 -2.711
253 HG3 GLU 33 HG3 GLU 33 10.913 -6.514 -3.213
254 H SER 34 H SER 34 10.189 -3.480 0.503
255 HA SER 34 HA SER 34 11.905 -4.288 2.692
256 HB2 SER 34 HB2 SER 34 12.522 -2.199 1.806
257 HB3 SER 34 HB3 SER 34 10.851 -1.642 1.724
258 HG SER 34 HG SER 34 12.442 -2.028 4.045
259 H GLY 35 H GLY 35 8.749 -2.651 2.411
260 HA2 GLY 35 HA2 GLY 35 6.893 -3.459 3.775
261 HA3 GLY 35 HA3 GLY 35 8.077 -3.761 5.035
262 H PHE 36 H PHE 36 9.482 -1.240 4.364
263 HA PHE 36 HA PHE 36 8.147 0.528 6.121
264 HB2 PHE 36 HB2 PHE 36 10.505 0.777 4.288
265 HB3 PHE 36 HB3 PHE 36 9.861 2.193 5.110
266 HD1 PHE 36 HD1 PHE 36 11.156 -1.226 5.748
267 HD2 PHE 36 HD2 PHE 36 10.476 2.684 7.256
268 HE1 PHE 36 HE1 PHE 36 12.447 -1.794 7.766
269 HE2 PHE 36 HE2 PHE 36 11.766 2.131 9.286
270 HZ PHE 36 HZ PHE 36 12.751 -0.112 9.540
271 H ILE 37 H ILE 37 6.046 0.695 5.204
272 HA ILE 37 HA ILE 37 5.888 2.632 3.009
273 HB ILE 37 HB ILE 37 3.928 1.424 2.098
274 HG12 ILE 37 HG12 ILE 37 4.721 -0.621 4.168
275 HG13 ILE 37 HG13 ILE 37 3.159 0.128 3.941
276 HG21 ILE 37 HG21 ILE 37 5.999 1.169 0.975
277 HG22 ILE 37 HG22 ILE 37 5.265 -0.435 1.069
278 HG23 ILE 37 HG23 ILE 37 6.575 0.002 2.166
279 HD11 ILE 37 HD11 ILE 37 4.435 -1.813 2.029
280 HD12 ILE 37 HD12 ILE 37 2.827 -1.105 1.889
281 HD13 ILE 37 HD13 ILE 37 3.192 -2.206 3.216
282 H GLU 38 H GLU 38 4.002 3.910 2.995
283 HA GLU 38 HA GLU 38 2.643 4.006 5.599
284 HB2 GLU 38 HB2 GLU 38 3.436 6.210 3.716
285 HB3 GLU 38 HB3 GLU 38 2.280 6.453 5.022
286 HG2 GLU 38 HG2 GLU 38 4.040 5.646 6.600
287 HG3 GLU 38 HG3 GLU 38 5.171 5.671 5.250
288 H GLU 39 H GLU 39 0.539 3.752 5.638
289 HA GLU 39 HA GLU 39 -0.908 3.309 3.191
290 HB2 GLU 39 HB2 GLU 39 -1.159 1.967 5.317
291 HB3 GLU 39 HB3 GLU 39 -1.950 3.356 6.030
292 HG2 GLU 39 HG2 GLU 39 -2.985 2.164 3.497
293 HG3 GLU 39 HG3 GLU 39 -3.358 1.426 5.055
294 H LEU 40 H LEU 40 -1.614 4.963 2.045
295 HA LEU 40 HA LEU 40 -1.684 7.596 3.199
296 HB2 LEU 40 HB2 LEU 40 -2.244 6.672 0.394
297 HB3 LEU 40 HB3 LEU 40 -2.073 8.342 0.892
298 HG LEU 40 HG LEU 40 0.104 6.251 0.999
299 HD11 LEU 40 HD11 LEU 40 1.118 7.546 -0.798
300 HD12 LEU 40 HD12 LEU 40 -0.304 8.588 -0.846
301 HD13 LEU 40 HD13 LEU 40 -0.444 6.881 -1.268
302 HD21 LEU 40 HD21 LEU 40 0.367 7.882 2.774
303 HD22 LEU 40 HD22 LEU 40 0.155 9.200 1.623
304 HD23 LEU 40 HD23 LEU 40 1.572 8.157 1.516
Start of MODEL 7
1 H1 GLY -1 H1 GLY -1 -17.279 8.014 12.088
2 H2 GLY -1 H2 GLY -1 -18.635 7.892 11.086
3 H3 GLY -1 H3 GLY -1 -17.087 7.665 10.441
4 HA2 GLY -1 HA3 GLY -1 -18.461 5.905 12.398
5 HA3 GLY -1 HA2 GLY -1 -18.161 5.540 10.705
6 H SER 0 H SER 0 -15.540 6.595 10.558
7 HA SER 0 HA SER 0 -13.370 6.144 10.928
8 HB2 SER 0 HB2 SER 0 -13.884 6.957 13.223
9 HB3 SER 0 HB3 SER 0 -14.214 5.296 13.707
10 HG SER 0 HG SER 0 -11.748 6.018 12.530
11 H MET 1 H MET 1 -14.353 3.573 13.141
12 HA MET 1 HA MET 1 -12.855 1.688 11.530
13 HB2 MET 1 HB2 MET 1 -14.302 1.309 14.158
14 HB3 MET 1 HB3 MET 1 -13.267 0.117 13.387
15 HG2 MET 1 HG2 MET 1 -11.369 1.654 13.588
16 HG3 MET 1 HG3 MET 1 -12.413 2.818 14.400
17 HE1 MET 1 HE1 MET 1 -11.146 -1.269 16.123
18 HE2 MET 1 HE2 MET 1 -10.531 -0.586 14.619
19 HE3 MET 1 HE3 MET 1 -12.208 -1.123 14.723
20 H ALA 2 H ALA 2 -15.996 2.773 11.651
21 HA ALA 2 HA ALA 2 -17.141 0.261 10.676
22 HB1 ALA 2 HB1 ALA 2 -18.482 2.890 11.324
23 HB2 ALA 2 HB2 ALA 2 -18.433 1.470 12.370
24 HB3 ALA 2 HB3 ALA 2 -19.301 1.406 10.838
25 H GLU 3 H GLU 3 -15.298 2.477 9.483
26 HA GLU 3 HA GLU 3 -16.707 2.697 6.937
27 HB2 GLU 3 HB2 GLU 3 -14.668 4.533 8.184
28 HB3 GLU 3 HB3 GLU 3 -15.173 4.650 6.507
29 HG2 GLU 3 HG2 GLU 3 -17.441 5.106 7.185
30 HG3 GLU 3 HG3 GLU 3 -16.994 4.918 8.881
31 H ALA 4 H ALA 4 -15.153 0.457 7.872
32 HA ALA 4 HA ALA 4 -12.637 0.708 6.383
33 HB1 ALA 4 HB1 ALA 4 -12.397 0.105 8.725
34 HB2 ALA 4 HB2 ALA 4 -11.869 -1.216 7.682
35 HB3 ALA 4 HB3 ALA 4 -13.436 -1.297 8.484
36 H SER 5 H SER 5 -15.526 -0.052 5.470
37 HA SER 5 HA SER 5 -15.356 -2.651 4.418
38 HB2 SER 5 HB2 SER 5 -17.466 -1.374 4.486
39 HB3 SER 5 HB3 SER 5 -16.840 -0.274 3.263
40 HG SER 5 HG SER 5 -18.146 -1.855 2.319
41 HA PRO 6 HA PRO 6 -13.364 -0.579 0.450
42 HB2 PRO 6 HB2 PRO 6 -12.077 1.796 1.028
43 HB3 PRO 6 HB3 PRO 6 -13.646 1.675 0.228
44 HG2 PRO 6 HG2 PRO 6 -13.019 2.207 3.100
45 HG3 PRO 6 HG3 PRO 6 -14.258 2.941 2.065
46 HD2 PRO 6 HD2 PRO 6 -14.876 1.047 3.849
47 HD3 PRO 6 HD3 PRO 6 -15.683 1.126 2.272
48 H HIS 7 H HIS 7 -11.408 -1.430 0.062
49 HA HIS 7 HA HIS 7 -9.740 -2.024 2.374
50 HB2 HIS 7 HB2 HIS 7 -8.643 -3.662 0.934
51 HB3 HIS 7 HB3 HIS 7 -10.380 -3.867 0.875
52 HD1 HIS 7 HD1 HIS 7 -11.564 -3.366 -1.369
53 HD2 HIS 7 HD2 HIS 7 -7.437 -2.867 -1.467
54 HE1 HIS 7 HE1 HIS 7 -10.958 -3.197 -3.801
55 HE2 HIS 7 HE2 HIS 7 -8.446 -3.035 -3.842
56 HA PRO 8 HA PRO 8 -6.652 0.955 1.311
57 HB2 PRO 8 HB2 PRO 8 -4.514 -0.216 2.539
58 HB3 PRO 8 HB3 PRO 8 -5.750 0.700 3.399
59 HG2 PRO 8 HG2 PRO 8 -5.365 -2.234 3.176
60 HG3 PRO 8 HG3 PRO 8 -5.987 -1.280 4.529
61 HD2 PRO 8 HD2 PRO 8 -7.533 -2.735 2.795
62 HD3 PRO 8 HD3 PRO 8 -8.114 -1.361 3.746
63 H GLY 9 H GLY 9 -4.886 1.237 -0.086
64 HA2 GLY 9 HA2 GLY 9 -3.672 -1.055 -1.362
65 HA3 GLY 9 HA3 GLY 9 -4.804 -0.190 -2.392
66 H ARG 10 H ARG 10 -4.274 2.400 -1.364
67 HA ARG 10 HA ARG 10 -1.847 2.994 -2.778
68 HB2 ARG 10 HB2 ARG 10 -2.419 5.363 -2.182
69 HB3 ARG 10 HB3 ARG 10 -3.657 4.514 -3.094
70 HG2 ARG 10 HG2 ARG 10 -5.049 4.310 -1.241
71 HG3 ARG 10 HG3 ARG 10 -3.757 4.684 -0.106
72 HD2 ARG 10 HD2 ARG 10 -4.734 6.728 -0.136
73 HD3 ARG 10 HD3 ARG 10 -3.746 6.917 -1.581
74 HE ARG 10 HE ARG 10 -6.406 5.842 -2.003
75 HH11 ARG 10 HH11 ARG 10 -4.351 8.677 -1.993
76 HH12 ARG 10 HH12 ARG 10 -5.401 9.598 -3.020
77 HH21 ARG 10 HH21 ARG 10 -7.807 7.059 -3.324
78 HH22 ARG 10 HH22 ARG 10 -7.380 8.683 -3.765
79 H TYR 11 H TYR 11 0.013 2.634 -1.832
80 HA TYR 11 HA TYR 11 0.363 3.576 0.937
81 HB2 TYR 11 HB2 TYR 11 1.396 1.130 -0.434
82 HB3 TYR 11 HB3 TYR 11 2.373 1.887 0.814
83 HD1 TYR 11 HD1 TYR 11 -1.153 0.719 0.287
84 HD2 TYR 11 HD2 TYR 11 2.120 1.175 2.964
85 HE1 TYR 11 HE1 TYR 11 -2.405 -0.495 2.026
86 HE2 TYR 11 HE2 TYR 11 0.893 -0.027 4.699
87 HH TYR 11 HH TYR 11 -1.381 -0.604 5.296
88 H PHE 12 H PHE 12 2.571 4.287 1.420
89 HA PHE 12 HA PHE 12 4.008 5.209 -0.971
90 HB2 PHE 12 HB2 PHE 12 2.669 6.969 0.358
91 HB3 PHE 12 HB3 PHE 12 3.933 6.808 1.574
92 HD1 PHE 12 HD1 PHE 12 3.114 7.900 -1.802
93 HD2 PHE 12 HD2 PHE 12 6.156 7.631 1.156
94 HE1 PHE 12 HE1 PHE 12 4.499 9.474 -3.091
95 HE2 PHE 12 HE2 PHE 12 7.550 9.210 -0.123
96 HZ PHE 12 HZ PHE 12 6.715 10.137 -2.249
97 H CYS 13 H CYS 13 5.824 4.116 -1.046
98 HA CYS 13 HA CYS 13 6.924 2.842 1.270
99 HB2 CYS 13 HB2 CYS 13 7.096 1.665 -0.805
100 HB3 CYS 13 HB3 CYS 13 7.860 3.038 -1.591
101 H HIS 14 H HIS 14 8.395 3.572 2.613
102 HA HIS 14 HA HIS 14 9.503 6.195 2.389
103 HB2 HIS 14 HB2 HIS 14 9.724 3.930 4.327
104 HB3 HIS 14 HB3 HIS 14 10.954 5.186 4.373
105 HD1 HIS 14 HD1 HIS 14 10.373 6.473 6.406
106 HD2 HIS 14 HD2 HIS 14 7.053 5.747 4.015
107 HE1 HIS 14 HE1 HIS 14 8.492 7.756 7.460
108 HE2 HIS 14 HE2 HIS 14 6.542 7.443 5.901
109 H CYS 15 H CYS 15 10.513 3.027 1.526
110 HA CYS 15 HA CYS 15 13.321 3.603 1.405
111 HB2 CYS 15 HB2 CYS 15 11.736 1.249 0.363
112 HB3 CYS 15 HB3 CYS 15 13.482 1.303 0.546
113 HG CYS 15 HG CYS 15 12.732 -0.224 2.652
114 H CYS 16 H CYS 16 10.642 3.544 -0.853
115 HA CYS 16 HA CYS 16 12.485 4.120 -3.073
116 HB2 CYS 16 HB2 CYS 16 9.569 3.331 -3.131
117 HB3 CYS 16 HB3 CYS 16 10.545 3.684 -4.543
118 H SER 17 H SER 17 10.399 5.605 -0.943
119 HA SER 17 HA SER 17 9.219 7.508 -0.785
120 HB2 SER 17 HB2 SER 17 10.289 9.553 -1.735
121 HB3 SER 17 HB3 SER 17 11.377 8.552 -0.779
122 HG SER 17 HG SER 17 11.461 7.800 -3.370
123 H VAL 18 H VAL 18 8.073 5.795 -2.543
124 HA VAL 18 HA VAL 18 6.712 7.648 -4.351
125 HB VAL 18 HB VAL 18 6.644 6.026 -6.175
126 HG11 VAL 18 HG11 VAL 18 8.446 7.687 -6.164
127 HG12 VAL 18 HG12 VAL 18 8.938 6.184 -6.946
128 HG13 VAL 18 HG13 VAL 18 9.481 6.543 -5.306
129 HG21 VAL 18 HG21 VAL 18 8.484 4.370 -4.466
130 HG22 VAL 18 HG22 VAL 18 8.063 4.027 -6.142
131 HG23 VAL 18 HG23 VAL 18 6.819 3.981 -4.892
132 H GLU 19 H GLU 19 4.683 6.707 -5.183
133 HA GLU 19 HA GLU 19 3.279 5.430 -2.981
134 HB2 GLU 19 HB2 GLU 19 2.401 7.488 -4.076
135 HB3 GLU 19 HB3 GLU 19 2.207 6.582 -5.566
136 HG2 GLU 19 HG2 GLU 19 0.889 5.534 -3.130
137 HG3 GLU 19 HG3 GLU 19 0.218 6.979 -3.878
138 H ILE 20 H ILE 20 2.477 3.415 -3.026
139 HA ILE 20 HA ILE 20 2.858 1.783 -5.449
140 HB ILE 20 HB ILE 20 3.850 -0.017 -4.020
141 HG12 ILE 20 HG12 ILE 20 4.783 1.829 -1.970
142 HG13 ILE 20 HG13 ILE 20 3.040 1.613 -1.937
143 HG21 ILE 20 HG21 ILE 20 5.412 2.555 -4.175
144 HG22 ILE 20 HG22 ILE 20 5.286 1.324 -5.433
145 HG23 ILE 20 HG23 ILE 20 6.104 0.953 -3.916
146 HD11 ILE 20 HD11 ILE 20 3.395 -0.823 -1.814
147 HD12 ILE 20 HD12 ILE 20 4.077 0.058 -0.447
148 HD13 ILE 20 HD13 ILE 20 5.134 -0.534 -1.732
149 H VAL 21 H VAL 21 1.874 -0.333 -5.273
150 HA VAL 21 HA VAL 21 -0.245 -0.525 -3.242
151 HB VAL 21 HB VAL 21 -1.334 -0.401 -5.345
152 HG11 VAL 21 HG11 VAL 21 0.592 -2.480 -6.358
153 HG12 VAL 21 HG12 VAL 21 0.583 -0.767 -6.779
154 HG13 VAL 21 HG13 VAL 21 -0.761 -1.801 -7.263
155 HG21 VAL 21 HG21 VAL 21 -2.380 -2.605 -5.586
156 HG22 VAL 21 HG22 VAL 21 -2.217 -2.138 -3.894
157 HG23 VAL 21 HG23 VAL 21 -1.105 -3.313 -4.596
158 HA PRO 22 HA PRO 22 2.838 -3.402 -1.788
159 HB2 PRO 22 HB2 PRO 22 0.831 -3.970 0.299
160 HB3 PRO 22 HB3 PRO 22 2.477 -3.368 0.460
161 HG2 PRO 22 HG2 PRO 22 0.384 -1.782 0.871
162 HG3 PRO 22 HG3 PRO 22 1.858 -1.179 0.088
163 HD2 PRO 22 HD2 PRO 22 -0.749 -1.980 -1.144
164 HD3 PRO 22 HD3 PRO 22 0.296 -0.594 -1.516
165 H ARG 23 H ARG 23 3.206 -5.567 -1.667
166 HA ARG 23 HA ARG 23 1.233 -7.424 -2.626
167 HB2 ARG 23 HB2 ARG 23 3.917 -7.886 -1.287
168 HB3 ARG 23 HB3 ARG 23 2.959 -9.125 -2.083
169 HG2 ARG 23 HG2 ARG 23 3.215 -7.971 -4.211
170 HG3 ARG 23 HG3 ARG 23 4.133 -6.694 -3.418
171 HD2 ARG 23 HD2 ARG 23 5.838 -8.339 -2.781
172 HD3 ARG 23 HD3 ARG 23 4.925 -9.595 -3.616
173 HE ARG 23 HE ARG 23 5.342 -7.611 -5.476
174 HH11 ARG 23 HH11 ARG 23 7.343 -9.713 -3.520
175 HH12 ARG 23 HH12 ARG 23 8.652 -9.734 -4.655
176 HH21 ARG 23 HH21 ARG 23 7.062 -7.632 -6.979
177 HH22 ARG 23 HH22 ARG 23 8.497 -8.542 -6.625
178 H LEU 24 H LEU 24 -0.481 -7.759 -1.323
179 HA LEU 24 HA LEU 24 -0.544 -6.731 1.252
180 HB2 LEU 24 HB2 LEU 24 -2.399 -7.571 -0.575
181 HB3 LEU 24 HB3 LEU 24 -2.629 -8.680 0.761
182 HG LEU 24 HG LEU 24 -4.071 -6.645 0.835
183 HD11 LEU 24 HD11 LEU 24 -3.649 -7.926 2.848
184 HD12 LEU 24 HD12 LEU 24 -3.718 -6.203 3.218
185 HD13 LEU 24 HD13 LEU 24 -2.160 -7.025 3.127
186 HD21 LEU 24 HD21 LEU 24 -2.307 -5.102 -0.028
187 HD22 LEU 24 HD22 LEU 24 -1.535 -5.193 1.554
188 HD23 LEU 24 HD23 LEU 24 -3.158 -4.521 1.401
189 HA PRO 25 HA PRO 25 -0.618 -11.360 2.966
190 HB2 PRO 25 HB2 PRO 25 1.293 -12.430 0.943
191 HB3 PRO 25 HB3 PRO 25 -0.012 -13.261 1.799
192 HG2 PRO 25 HG2 PRO 25 -0.344 -12.570 -0.718
193 HG3 PRO 25 HG3 PRO 25 -1.659 -12.296 0.444
194 HD2 PRO 25 HD2 PRO 25 0.302 -10.338 -0.695
195 HD3 PRO 25 HD3 PRO 25 -1.436 -10.155 -0.408
196 H ASP 26 H ASP 26 2.071 -9.658 1.504
197 HA ASP 26 HA ASP 26 3.790 -10.471 3.752
198 HB2 ASP 26 HB2 ASP 26 4.516 -9.448 1.006
199 HB3 ASP 26 HB3 ASP 26 5.685 -9.683 2.300
200 H TYR 27 H TYR 27 2.074 -7.910 2.408
201 HA TYR 27 HA TYR 27 1.929 -5.684 2.722
202 HB2 TYR 27 HB2 TYR 27 2.652 -6.778 5.356
203 HB3 TYR 27 HB3 TYR 27 2.963 -5.057 5.163
204 HD1 TYR 27 HD2 TYR 27 0.810 -4.033 3.611
205 HD2 TYR 27 HD1 TYR 27 0.705 -7.103 6.553
206 HE1 TYR 27 HE2 TYR 27 -1.556 -3.533 4.033
207 HE2 TYR 27 HE1 TYR 27 -1.666 -6.614 6.986
208 HH TYR 27 HH TYR 27 -3.560 -4.724 4.941
209 H ILE 28 H ILE 28 4.189 -6.459 1.259
210 HA ILE 28 HA ILE 28 6.176 -4.503 2.185
211 HB ILE 28 HB ILE 28 7.809 -5.700 0.728
212 HG12 ILE 28 HG12 ILE 28 5.657 -7.830 0.665
213 HG13 ILE 28 HG13 ILE 28 6.166 -6.859 -0.708
214 HG21 ILE 28 HG21 ILE 28 6.590 -7.287 2.981
215 HG22 ILE 28 HG22 ILE 28 7.796 -6.009 3.132
216 HG23 ILE 28 HG23 ILE 28 8.207 -7.519 2.317
217 HD11 ILE 28 HD11 ILE 28 8.400 -7.847 -0.564
218 HD12 ILE 28 HD12 ILE 28 7.147 -9.066 -0.795
219 HD13 ILE 28 HD13 ILE 28 7.864 -8.832 0.798
220 H CYS 29 H CYS 29 7.637 -4.039 0.144
221 HA CYS 29 HA CYS 29 5.971 -2.438 -1.610
222 HB2 CYS 29 HB2 CYS 29 7.982 -1.565 -0.413
223 HB3 CYS 29 HB3 CYS 29 8.970 -2.687 -1.317
224 HA PRO 30 HA PRO 30 6.657 -5.342 -4.934
225 HB2 PRO 30 HB2 PRO 30 5.703 -3.882 -6.985
226 HB3 PRO 30 HB3 PRO 30 4.639 -4.572 -5.757
227 HG2 PRO 30 HG2 PRO 30 5.572 -1.770 -6.096
228 HG3 PRO 30 HG3 PRO 30 4.016 -2.373 -5.506
229 HD2 PRO 30 HD2 PRO 30 6.121 -1.445 -3.927
230 HD3 PRO 30 HD3 PRO 30 4.749 -2.421 -3.356
231 H ARG 31 H ARG 31 8.104 -2.272 -4.611
232 HA ARG 31 HA ARG 31 9.823 -2.614 -6.927
233 HB2 ARG 31 HB2 ARG 31 10.046 -0.349 -4.991
234 HB3 ARG 31 HB3 ARG 31 10.374 -0.371 -6.713
235 HG2 ARG 31 HG2 ARG 31 7.769 -0.888 -6.775
236 HG3 ARG 31 HG3 ARG 31 7.837 -0.001 -5.261
237 HD2 ARG 31 HD2 ARG 31 7.381 1.520 -7.054
238 HD3 ARG 31 HD3 ARG 31 8.988 1.832 -6.416
239 HE ARG 31 HE ARG 31 9.592 0.238 -8.438
240 HH11 ARG 31 HH11 ARG 31 7.338 2.915 -8.343
241 HH12 ARG 31 HH12 ARG 31 7.557 3.327 -10.010
242 HH21 ARG 31 HH21 ARG 31 9.885 0.779 -10.634
243 HH22 ARG 31 HH22 ARG 31 9.005 2.108 -11.318
244 H CYS 32 H CYS 32 10.112 -2.423 -3.360
245 HA CYS 32 HA CYS 32 12.883 -3.340 -3.722
246 HB2 CYS 32 HB2 CYS 32 13.621 -2.007 -1.845
247 HB3 CYS 32 HB3 CYS 32 12.832 -0.977 -3.030
248 H GLU 33 H GLU 33 9.912 -4.047 -2.362
249 HA GLU 33 HA GLU 33 9.129 -5.630 -0.941
250 HB2 GLU 33 HB2 GLU 33 11.793 -6.879 -1.615
251 HB3 GLU 33 HB3 GLU 33 10.495 -7.709 -0.772
252 HG2 GLU 33 HG2 GLU 33 9.052 -7.490 -2.684
253 HG3 GLU 33 HG3 GLU 33 10.269 -6.536 -3.529
254 H SER 34 H SER 34 10.282 -3.445 0.323
255 HA SER 34 HA SER 34 12.043 -4.453 2.388
256 HB2 SER 34 HB2 SER 34 12.776 -2.393 1.515
257 HB3 SER 34 HB3 SER 34 11.169 -1.677 1.585
258 HG SER 34 HG SER 34 12.789 -2.413 3.809
259 H GLY 35 H GLY 35 8.988 -2.585 2.338
260 HA2 GLY 35 HA2 GLY 35 7.144 -3.528 3.680
261 HA3 GLY 35 HA3 GLY 35 8.355 -3.858 4.904
262 H PHE 36 H PHE 36 9.631 -1.218 4.172
263 HA PHE 36 HA PHE 36 8.239 0.424 6.042
264 HB2 PHE 36 HB2 PHE 36 10.603 0.830 4.239
265 HB3 PHE 36 HB3 PHE 36 9.901 2.182 5.118
266 HD1 PHE 36 HD2 PHE 36 11.213 -1.253 5.671
267 HD2 PHE 36 HD1 PHE 36 10.601 2.647 7.234
268 HE1 PHE 36 HE2 PHE 36 12.513 -1.862 7.672
269 HE2 PHE 36 HE1 PHE 36 11.897 2.053 9.246
270 HZ PHE 36 HZ PHE 36 12.855 -0.206 9.464
271 H ILE 37 H ILE 37 6.140 0.628 5.166
272 HA ILE 37 HA ILE 37 5.948 2.532 2.942
273 HB ILE 37 HB ILE 37 3.979 1.298 2.070
274 HG12 ILE 37 HG12 ILE 37 4.840 -0.747 4.116
275 HG13 ILE 37 HG13 ILE 37 3.275 0.017 3.962
276 HG21 ILE 37 HG21 ILE 37 6.063 1.060 0.936
277 HG22 ILE 37 HG22 ILE 37 5.303 -0.532 1.006
278 HG23 ILE 37 HG23 ILE 37 6.624 -0.136 2.106
279 HD11 ILE 37 HD11 ILE 37 2.879 -1.178 1.882
280 HD12 ILE 37 HD12 ILE 37 3.222 -2.292 3.206
281 HD13 ILE 37 HD13 ILE 37 4.467 -1.934 2.008
282 H GLU 38 H GLU 38 4.013 3.780 2.904
283 HA GLU 38 HA GLU 38 2.741 3.962 5.545
284 HB2 GLU 38 HB2 GLU 38 3.573 6.049 3.588
285 HB3 GLU 38 HB3 GLU 38 2.273 6.379 4.726
286 HG2 GLU 38 HG2 GLU 38 5.066 5.530 5.448
287 HG3 GLU 38 HG3 GLU 38 4.426 7.166 5.535
288 H GLU 39 H GLU 39 0.692 3.427 5.622
289 HA GLU 39 HA GLU 39 -0.901 3.073 3.273
290 HB2 GLU 39 HB2 GLU 39 -1.020 1.756 5.462
291 HB3 GLU 39 HB3 GLU 39 -1.857 3.136 6.140
292 HG2 GLU 39 HG2 GLU 39 -2.832 1.692 3.698
293 HG3 GLU 39 HG3 GLU 39 -3.268 1.200 5.332
294 H LEU 40 H LEU 40 -1.684 4.724 2.185
295 HA LEU 40 HA LEU 40 -1.811 7.346 3.367
296 HB2 LEU 40 HB2 LEU 40 -2.528 6.434 0.593
297 HB3 LEU 40 HB3 LEU 40 -2.353 8.098 1.106
298 HG LEU 40 HG LEU 40 -0.154 6.044 0.960
299 HD11 LEU 40 HD11 LEU 40 0.721 7.454 -0.821
300 HD12 LEU 40 HD12 LEU 40 -0.706 8.483 -0.704
301 HD13 LEU 40 HD13 LEU 40 -0.868 6.803 -1.216
302 HD21 LEU 40 HD21 LEU 40 1.342 7.936 1.473
303 HD22 LEU 40 HD22 LEU 40 0.255 7.549 2.807
304 HD23 LEU 40 HD23 LEU 40 -0.073 8.943 1.777
Start of MODEL 8
1 H1 GLY -1 H1 GLY -1 -19.737 -8.501 5.442
2 H2 GLY -1 H2 GLY -1 -20.264 -6.926 5.749
3 H3 GLY -1 H3 GLY -1 -19.856 -7.943 7.034
4 HA2 GLY -1 HA3 GLY -1 -18.101 -6.354 6.663
5 HA3 GLY -1 HA2 GLY -1 -17.555 -7.987 6.310
6 H SER 0 H SER 0 -18.310 -4.865 5.018
7 HA SER 0 HA SER 0 -17.357 -5.749 2.369
8 HB2 SER 0 HB2 SER 0 -19.102 -3.375 3.067
9 HB3 SER 0 HB3 SER 0 -18.592 -3.834 1.445
10 HG SER 0 HG SER 0 -20.736 -4.560 2.084
11 H MET 1 H MET 1 -15.769 -4.550 1.333
12 HA MET 1 HA MET 1 -14.001 -3.076 3.051
13 HB2 MET 1 HB2 MET 1 -13.873 -3.640 0.082
14 HB3 MET 1 HB3 MET 1 -12.612 -2.818 0.985
15 HG2 MET 1 HG2 MET 1 -11.890 -5.031 0.774
16 HG3 MET 1 HG3 MET 1 -12.477 -4.889 2.427
17 HE1 MET 1 HE1 MET 1 -14.438 -5.355 -0.998
18 HE2 MET 1 HE2 MET 1 -14.636 -7.106 -0.993
19 HE3 MET 1 HE3 MET 1 -13.024 -6.402 -1.109
20 H ALA 2 H ALA 2 -15.840 -1.537 3.468
21 HA ALA 2 HA ALA 2 -15.277 0.931 2.122
22 HB1 ALA 2 HB1 ALA 2 -17.579 1.402 1.400
23 HB2 ALA 2 HB2 ALA 2 -18.049 -0.237 1.847
24 HB3 ALA 2 HB3 ALA 2 -16.897 0.022 0.538
25 H GLU 3 H GLU 3 -17.354 -0.893 4.301
26 HA GLU 3 HA GLU 3 -18.130 1.318 5.906
27 HB2 GLU 3 HB2 GLU 3 -18.903 -0.407 7.497
28 HB3 GLU 3 HB3 GLU 3 -19.446 -0.726 5.856
29 HG2 GLU 3 HG2 GLU 3 -17.626 -2.343 5.591
30 HG3 GLU 3 HG3 GLU 3 -17.165 -2.075 7.271
31 H ALA 4 H ALA 4 -15.474 -0.960 5.976
32 HA ALA 4 HA ALA 4 -14.180 0.694 8.024
33 HB1 ALA 4 HB1 ALA 4 -13.247 -1.299 9.078
34 HB2 ALA 4 HB2 ALA 4 -14.129 -2.321 7.945
35 HB3 ALA 4 HB3 ALA 4 -15.009 -1.337 9.111
36 H SER 5 H SER 5 -13.234 1.660 6.149
37 HA SER 5 HA SER 5 -11.477 2.085 4.794
38 HB2 SER 5 HB2 SER 5 -10.113 0.967 6.578
39 HB3 SER 5 HB3 SER 5 -10.301 -0.552 5.706
40 HG SER 5 HG SER 5 -8.490 1.327 5.319
41 HA PRO 6 HA PRO 6 -12.899 -0.133 1.211
42 HB2 PRO 6 HB2 PRO 6 -11.764 1.429 -0.661
43 HB3 PRO 6 HB3 PRO 6 -13.154 1.966 0.290
44 HG2 PRO 6 HG2 PRO 6 -10.258 2.621 0.628
45 HG3 PRO 6 HG3 PRO 6 -11.671 3.679 0.778
46 HD2 PRO 6 HD2 PRO 6 -10.353 2.553 2.906
47 HD3 PRO 6 HD3 PRO 6 -12.050 3.058 2.947
48 H HIS 7 H HIS 7 -10.552 -1.075 2.627
49 HA HIS 7 HA HIS 7 -8.852 -2.511 2.400
50 HB2 HIS 7 HB2 HIS 7 -10.077 -3.762 0.829
51 HB3 HIS 7 HB3 HIS 7 -9.765 -2.617 -0.452
52 HD1 HIS 7 HD1 HIS 7 -8.159 -5.415 1.466
53 HD2 HIS 7 HD2 HIS 7 -7.345 -2.958 -1.788
54 HE1 HIS 7 HE1 HIS 7 -6.152 -6.424 0.336
55 HE2 HIS 7 HE2 HIS 7 -5.690 -4.935 -1.644
56 HA PRO 8 HA PRO 8 -5.602 0.366 1.662
57 HB2 PRO 8 HB2 PRO 8 -3.819 -1.831 2.421
58 HB3 PRO 8 HB3 PRO 8 -4.117 -0.298 3.246
59 HG2 PRO 8 HG2 PRO 8 -4.970 -2.661 4.228
60 HG3 PRO 8 HG3 PRO 8 -5.866 -1.150 4.472
61 HD2 PRO 8 HD2 PRO 8 -6.392 -3.369 2.526
62 HD3 PRO 8 HD3 PRO 8 -7.536 -2.420 3.492
63 H GLY 9 H GLY 9 -4.425 0.841 -0.086
64 HA2 GLY 9 HA2 GLY 9 -3.155 -1.245 -1.647
65 HA3 GLY 9 HA3 GLY 9 -4.455 -0.391 -2.470
66 H ARG 10 H ARG 10 -4.098 2.131 -1.422
67 HA ARG 10 HA ARG 10 -1.768 3.039 -2.836
68 HB2 ARG 10 HB2 ARG 10 -2.594 5.300 -2.091
69 HB3 ARG 10 HB3 ARG 10 -3.722 4.372 -3.070
70 HG2 ARG 10 HG2 ARG 10 -5.065 3.845 -1.215
71 HG3 ARG 10 HG3 ARG 10 -3.839 4.391 -0.071
72 HD2 ARG 10 HD2 ARG 10 -4.842 6.374 -0.060
73 HD3 ARG 10 HD3 ARG 10 -4.344 6.573 -1.737
74 HE ARG 10 HE ARG 10 -6.754 5.049 -1.466
75 HH11 ARG 10 HH11 ARG 10 -5.435 8.284 -1.649
76 HH12 ARG 10 HH12 ARG 10 -6.912 8.991 -2.224
77 HH21 ARG 10 HH21 ARG 10 -8.690 5.963 -2.251
78 HH22 ARG 10 HH22 ARG 10 -8.764 7.667 -2.582
79 H TYR 11 H TYR 11 0.101 2.674 -1.848
80 HA TYR 11 HA TYR 11 0.377 3.604 0.934
81 HB2 TYR 11 HB2 TYR 11 1.467 1.175 -0.419
82 HB3 TYR 11 HB3 TYR 11 2.420 1.945 0.843
83 HD1 TYR 11 HD1 TYR 11 -1.043 0.674 0.231
84 HD2 TYR 11 HD2 TYR 11 2.110 1.292 3.019
85 HE1 TYR 11 HE1 TYR 11 -2.316 -0.546 1.947
86 HE2 TYR 11 HE2 TYR 11 0.857 0.078 4.733
87 HH TYR 11 HH TYR 11 -1.881 -1.798 4.019
88 H PHE 12 H PHE 12 2.602 4.273 1.467
89 HA PHE 12 HA PHE 12 4.065 5.257 -0.882
90 HB2 PHE 12 HB2 PHE 12 2.753 7.002 0.486
91 HB3 PHE 12 HB3 PHE 12 3.984 6.762 1.722
92 HD1 PHE 12 HD2 PHE 12 3.282 7.970 -1.636
93 HD2 PHE 12 HD1 PHE 12 6.226 7.556 1.398
94 HE1 PHE 12 HE2 PHE 12 4.737 9.553 -2.841
95 HE2 PHE 12 HE1 PHE 12 7.699 9.138 0.201
96 HZ PHE 12 HZ PHE 12 6.944 10.143 -1.919
97 H CYS 13 H CYS 13 5.865 4.120 -0.978
98 HA CYS 13 HA CYS 13 6.952 2.800 1.322
99 HB2 CYS 13 HB2 CYS 13 7.097 1.645 -0.773
100 HB3 CYS 13 HB3 CYS 13 7.879 3.018 -1.541
101 H HIS 14 H HIS 14 8.533 3.448 2.624
102 HA HIS 14 HA HIS 14 9.647 6.092 2.265
103 HB2 HIS 14 HB2 HIS 14 9.625 4.064 4.453
104 HB3 HIS 14 HB3 HIS 14 10.912 5.268 4.452
105 HD1 HIS 14 HD1 HIS 14 10.344 7.227 5.837
106 HD2 HIS 14 HD2 HIS 14 6.969 5.548 4.087
107 HE1 HIS 14 HE1 HIS 14 8.413 8.628 6.617
108 HE2 HIS 14 HE2 HIS 14 6.413 7.721 5.379
109 H CYS 15 H CYS 15 10.517 2.925 1.471
110 HA CYS 15 HA CYS 15 13.367 3.407 1.447
111 HB2 CYS 15 HB2 CYS 15 11.712 1.094 0.420
112 HB3 CYS 15 HB3 CYS 15 13.469 1.120 0.477
113 HG CYS 15 HG CYS 15 12.937 1.810 3.446
114 H CYS 16 H CYS 16 10.690 3.412 -0.813
115 HA CYS 16 HA CYS 16 12.521 4.003 -3.038
116 HB2 CYS 16 HB2 CYS 16 9.577 3.310 -3.063
117 HB3 CYS 16 HB3 CYS 16 10.537 3.667 -4.486
118 H SER 17 H SER 17 10.494 5.464 -0.835
119 HA SER 17 HA SER 17 9.350 7.373 -0.591
120 HB2 SER 17 HB2 SER 17 10.464 9.439 -1.411
121 HB3 SER 17 HB3 SER 17 11.530 8.361 -0.519
122 HG SER 17 HG SER 17 11.764 7.634 -3.018
123 H VAL 18 H VAL 18 8.227 5.760 -2.494
124 HA VAL 18 HA VAL 18 6.898 7.753 -4.181
125 HB VAL 18 HB VAL 18 6.748 6.224 -6.067
126 HG11 VAL 18 HG11 VAL 18 9.070 6.225 -6.817
127 HG12 VAL 18 HG12 VAL 18 9.603 6.556 -5.169
128 HG13 VAL 18 HG13 VAL 18 8.638 7.750 -6.043
129 HG21 VAL 18 HG21 VAL 18 8.462 4.374 -4.424
130 HG22 VAL 18 HG22 VAL 18 8.053 4.140 -6.123
131 HG23 VAL 18 HG23 VAL 18 6.784 4.115 -4.899
132 H GLU 19 H GLU 19 4.823 6.957 -5.008
133 HA GLU 19 HA GLU 19 3.373 5.615 -2.893
134 HB2 GLU 19 HB2 GLU 19 2.531 7.667 -4.079
135 HB3 GLU 19 HB3 GLU 19 2.336 6.686 -5.523
136 HG2 GLU 19 HG2 GLU 19 1.042 5.461 -3.262
137 HG3 GLU 19 HG3 GLU 19 0.474 7.111 -3.507
138 H ILE 20 H ILE 20 2.678 3.567 -2.934
139 HA ILE 20 HA ILE 20 3.160 1.964 -5.363
140 HB ILE 20 HB ILE 20 4.091 0.162 -3.908
141 HG12 ILE 20 HG12 ILE 20 4.867 2.009 -1.783
142 HG13 ILE 20 HG13 ILE 20 3.136 1.711 -1.849
143 HG21 ILE 20 HG21 ILE 20 5.599 1.514 -5.215
144 HG22 ILE 20 HG22 ILE 20 6.326 1.157 -3.648
145 HG23 ILE 20 HG23 ILE 20 5.630 2.748 -3.955
146 HD11 ILE 20 HD11 ILE 20 3.594 -0.709 -1.756
147 HD12 ILE 20 HD12 ILE 20 4.158 0.170 -0.336
148 HD13 ILE 20 HD13 ILE 20 5.311 -0.343 -1.569
149 H VAL 21 H VAL 21 2.227 -0.178 -5.243
150 HA VAL 21 HA VAL 21 -0.008 -0.429 -3.343
151 HB VAL 21 HB VAL 21 -0.965 -0.315 -5.518
152 HG11 VAL 21 HG11 VAL 21 -0.258 -1.682 -7.403
153 HG12 VAL 21 HG12 VAL 21 1.018 -2.397 -6.417
154 HG13 VAL 21 HG13 VAL 21 1.072 -0.678 -6.814
155 HG21 VAL 21 HG21 VAL 21 -1.906 -2.054 -4.107
156 HG22 VAL 21 HG22 VAL 21 -0.742 -3.218 -4.739
157 HG23 VAL 21 HG23 VAL 21 -1.968 -2.530 -5.803
158 HA PRO 22 HA PRO 22 3.020 -3.324 -1.781
159 HB2 PRO 22 HB2 PRO 22 0.935 -3.901 0.219
160 HB3 PRO 22 HB3 PRO 22 2.569 -3.292 0.448
161 HG2 PRO 22 HG2 PRO 22 0.443 -1.725 0.788
162 HG3 PRO 22 HG3 PRO 22 1.950 -1.104 0.089
163 HD2 PRO 22 HD2 PRO 22 -0.587 -1.897 -1.283
164 HD3 PRO 22 HD3 PRO 22 0.470 -0.502 -1.586
165 H ARG 23 H ARG 23 3.309 -5.528 -1.549
166 HA ARG 23 HA ARG 23 1.303 -7.294 -2.649
167 HB2 ARG 23 HB2 ARG 23 3.945 -7.869 -1.278
168 HB3 ARG 23 HB3 ARG 23 2.943 -9.076 -2.064
169 HG2 ARG 23 HG2 ARG 23 3.257 -7.930 -4.207
170 HG3 ARG 23 HG3 ARG 23 4.274 -6.731 -3.407
171 HD2 ARG 23 HD2 ARG 23 5.793 -8.562 -2.722
172 HD3 ARG 23 HD3 ARG 23 4.811 -9.685 -3.659
173 HE ARG 23 HE ARG 23 5.489 -7.708 -5.426
174 HH11 ARG 23 HH11 ARG 23 7.243 -9.951 -3.392
175 HH12 ARG 23 HH12 ARG 23 8.638 -9.993 -4.420
176 HH21 ARG 23 HH21 ARG 23 7.326 -7.758 -6.788
177 HH22 ARG 23 HH22 ARG 23 8.689 -8.736 -6.351
178 H LEU 24 H LEU 24 -0.437 -7.537 -1.404
179 HA LEU 24 HA LEU 24 -0.577 -6.663 1.216
180 HB2 LEU 24 HB2 LEU 24 -2.358 -7.471 -0.749
181 HB3 LEU 24 HB3 LEU 24 -2.686 -8.515 0.615
182 HG LEU 24 HG LEU 24 -4.065 -6.447 0.552
183 HD11 LEU 24 HD11 LEU 24 -2.254 -6.741 2.936
184 HD12 LEU 24 HD12 LEU 24 -3.737 -7.647 2.636
185 HD13 LEU 24 HD13 LEU 24 -3.809 -5.908 2.917
186 HD21 LEU 24 HD21 LEU 24 -1.504 -5.036 1.266
187 HD22 LEU 24 HD22 LEU 24 -3.105 -4.319 1.076
188 HD23 LEU 24 HD23 LEU 24 -2.263 -4.979 -0.324
189 HA PRO 25 HA PRO 25 -0.728 -11.376 2.648
190 HB2 PRO 25 HB2 PRO 25 1.287 -12.341 0.680
191 HB3 PRO 25 HB3 PRO 25 -0.073 -13.205 1.404
192 HG2 PRO 25 HG2 PRO 25 -0.235 -12.367 -1.088
193 HG3 PRO 25 HG3 PRO 25 -1.623 -12.160 0.002
194 HD2 PRO 25 HD2 PRO 25 0.406 -10.142 -0.885
195 HD3 PRO 25 HD3 PRO 25 -1.348 -9.973 -0.707
196 H ASP 26 H ASP 26 2.012 -9.567 1.434
197 HA ASP 26 HA ASP 26 3.611 -10.472 3.740
198 HB2 ASP 26 HB2 ASP 26 4.462 -9.412 1.049
199 HB3 ASP 26 HB3 ASP 26 5.571 -9.529 2.410
200 H TYR 27 H TYR 27 2.036 -7.833 2.311
201 HA TYR 27 HA TYR 27 1.885 -5.624 2.693
202 HB2 TYR 27 HB2 TYR 27 2.530 -6.733 5.347
203 HB3 TYR 27 HB3 TYR 27 2.837 -5.008 5.158
204 HD1 TYR 27 HD2 TYR 27 0.736 -4.033 3.499
205 HD2 TYR 27 HD1 TYR 27 0.548 -7.032 6.511
206 HE1 TYR 27 HE2 TYR 27 -1.647 -3.545 3.822
207 HE2 TYR 27 HE1 TYR 27 -1.840 -6.551 6.844
208 HH TYR 27 HH TYR 27 -3.398 -4.656 6.484
209 H ILE 28 H ILE 28 4.205 -6.545 1.362
210 HA ILE 28 HA ILE 28 6.192 -4.587 2.272
211 HB ILE 28 HB ILE 28 7.797 -5.772 0.787
212 HG12 ILE 28 HG12 ILE 28 5.610 -7.859 0.639
213 HG13 ILE 28 HG13 ILE 28 6.125 -6.837 -0.694
214 HG21 ILE 28 HG21 ILE 28 6.538 -7.416 2.976
215 HG22 ILE 28 HG22 ILE 28 7.780 -6.179 3.169
216 HG23 ILE 28 HG23 ILE 28 8.147 -7.669 2.299
217 HD11 ILE 28 HD11 ILE 28 8.349 -7.857 -0.591
218 HD12 ILE 28 HD12 ILE 28 7.081 -9.043 -0.890
219 HD13 ILE 28 HD13 ILE 28 7.795 -8.903 0.715
220 H CYS 29 H CYS 29 7.623 -4.121 0.173
221 HA CYS 29 HA CYS 29 5.910 -2.448 -1.464
222 HB2 CYS 29 HB2 CYS 29 7.969 -1.614 -0.360
223 HB3 CYS 29 HB3 CYS 29 8.913 -2.745 -1.304
224 HA PRO 30 HA PRO 30 6.202 -5.275 -4.905
225 HB2 PRO 30 HB2 PRO 30 5.298 -3.656 -6.857
226 HB3 PRO 30 HB3 PRO 30 4.222 -4.278 -5.599
227 HG2 PRO 30 HG2 PRO 30 5.524 -1.592 -5.822
228 HG3 PRO 30 HG3 PRO 30 3.866 -1.991 -5.338
229 HD2 PRO 30 HD2 PRO 30 5.875 -1.423 -3.571
230 HD3 PRO 30 HD3 PRO 30 4.482 -2.452 -3.177
231 H ARG 31 H ARG 31 7.826 -2.264 -4.619
232 HA ARG 31 HA ARG 31 9.508 -2.701 -6.935
233 HB2 ARG 31 HB2 ARG 31 9.934 -0.541 -4.903
234 HB3 ARG 31 HB3 ARG 31 10.277 -0.525 -6.623
235 HG2 ARG 31 HG2 ARG 31 7.512 -0.885 -6.371
236 HG3 ARG 31 HG3 ARG 31 7.961 0.377 -5.227
237 HD2 ARG 31 HD2 ARG 31 7.489 1.458 -7.251
238 HD3 ARG 31 HD3 ARG 31 9.237 1.452 -7.097
239 HE ARG 31 HE ARG 31 8.337 -0.800 -8.575
240 HH11 ARG 31 HH11 ARG 31 8.932 2.638 -8.853
241 HH12 ARG 31 HH12 ARG 31 9.165 2.586 -10.569
242 HH21 ARG 31 HH21 ARG 31 8.669 -0.873 -10.826
243 HH22 ARG 31 HH22 ARG 31 9.019 0.588 -11.694
244 H CYS 32 H CYS 32 9.987 -2.354 -3.379
245 HA CYS 32 HA CYS 32 12.674 -3.458 -3.837
246 HB2 CYS 32 HB2 CYS 32 13.507 -2.158 -1.983
247 HB3 CYS 32 HB3 CYS 32 12.702 -1.103 -3.135
248 H GLU 33 H GLU 33 9.743 -4.135 -2.352
249 HA GLU 33 HA GLU 33 9.024 -5.805 -0.989
250 HB2 GLU 33 HB2 GLU 33 11.743 -6.954 -1.627
251 HB3 GLU 33 HB3 GLU 33 10.425 -7.839 -0.879
252 HG2 GLU 33 HG2 GLU 33 9.072 -7.581 -2.856
253 HG3 GLU 33 HG3 GLU 33 10.317 -6.581 -3.606
254 H SER 34 H SER 34 10.282 -3.560 0.265
255 HA SER 34 HA SER 34 11.987 -4.636 2.340
256 HB2 SER 34 HB2 SER 34 12.780 -2.597 1.465
257 HB3 SER 34 HB3 SER 34 11.197 -1.830 1.575
258 HG SER 34 HG SER 34 12.944 -1.425 3.270
259 H GLY 35 H GLY 35 9.007 -2.658 2.315
260 HA2 GLY 35 HA2 GLY 35 7.158 -3.592 3.688
261 HA3 GLY 35 HA3 GLY 35 8.382 -3.866 4.913
262 H PHE 36 H PHE 36 9.679 -1.277 4.163
263 HA PHE 36 HA PHE 36 8.309 0.420 5.985
264 HB2 PHE 36 HB2 PHE 36 10.616 0.807 4.106
265 HB3 PHE 36 HB3 PHE 36 9.922 2.176 4.966
266 HD1 PHE 36 HD1 PHE 36 11.719 -1.006 5.345
267 HD2 PHE 36 HD2 PHE 36 10.256 2.487 7.274
268 HE1 PHE 36 HE1 PHE 36 13.080 -1.539 7.325
269 HE2 PHE 36 HE2 PHE 36 11.614 1.964 9.262
270 HZ PHE 36 HZ PHE 36 13.027 -0.052 9.286
271 H ILE 37 H ILE 37 6.199 0.729 5.250
272 HA ILE 37 HA ILE 37 5.943 2.600 3.025
273 HB ILE 37 HB ILE 37 3.982 1.380 2.158
274 HG12 ILE 37 HG12 ILE 37 4.814 -0.662 4.209
275 HG13 ILE 37 HG13 ILE 37 3.248 0.085 4.009
276 HG21 ILE 37 HG21 ILE 37 5.295 -0.497 1.116
277 HG22 ILE 37 HG22 ILE 37 6.633 -0.027 2.165
278 HG23 ILE 37 HG23 ILE 37 6.004 1.112 0.973
279 HD11 ILE 37 HD11 ILE 37 2.911 -1.136 1.931
280 HD12 ILE 37 HD12 ILE 37 3.233 -2.232 3.273
281 HD13 ILE 37 HD13 ILE 37 4.504 -1.876 2.102
282 H GLU 38 H GLU 38 4.024 3.841 3.058
283 HA GLU 38 HA GLU 38 2.682 3.898 5.676
284 HB2 GLU 38 HB2 GLU 38 3.446 6.087 3.780
285 HB3 GLU 38 HB3 GLU 38 2.161 6.324 4.957
286 HG2 GLU 38 HG2 GLU 38 3.815 5.671 6.728
287 HG3 GLU 38 HG3 GLU 38 5.060 5.744 5.479
288 H GLU 39 H GLU 39 0.579 3.536 5.729
289 HA GLU 39 HA GLU 39 -0.906 3.103 3.300
290 HB2 GLU 39 HB2 GLU 39 -1.069 1.797 5.507
291 HB3 GLU 39 HB3 GLU 39 -1.996 3.154 6.115
292 HG2 GLU 39 HG2 GLU 39 -2.791 1.682 3.631
293 HG3 GLU 39 HG3 GLU 39 -3.255 1.121 5.233
294 H LEU 40 H LEU 40 -1.661 4.762 2.186
295 HA LEU 40 HA LEU 40 -1.826 7.383 3.332
296 HB2 LEU 40 HB2 LEU 40 -2.583 6.398 0.592
297 HB3 LEU 40 HB3 LEU 40 -2.470 8.081 1.061
298 HG LEU 40 HG LEU 40 -0.183 6.117 0.930
299 HD11 LEU 40 HD11 LEU 40 -0.872 8.475 -0.798
300 HD12 LEU 40 HD12 LEU 40 -0.969 6.775 -1.254
301 HD13 LEU 40 HD13 LEU 40 0.597 7.506 -0.910
302 HD21 LEU 40 HD21 LEU 40 -0.218 9.044 1.649
303 HD22 LEU 40 HD22 LEU 40 1.234 8.089 1.357
304 HD23 LEU 40 HD23 LEU 40 0.186 7.703 2.721
Start of MODEL 9
1 H1 GLY -1 H1 GLY -1 -13.505 -7.466 -2.490
2 H2 GLY -1 H2 GLY -1 -14.258 -8.106 -1.118
3 H3 GLY -1 H3 GLY -1 -14.815 -6.661 -1.793
4 HA2 GLY -1 HA3 GLY -1 -16.281 -8.500 -2.356
5 HA3 GLY -1 HA2 GLY -1 -15.533 -7.788 -3.779
6 H SER 0 H SER 0 -16.179 -9.926 -4.679
7 HA SER 0 HA SER 0 -15.651 -11.953 -5.530
8 HB2 SER 0 HB2 SER 0 -12.848 -11.200 -4.673
9 HB3 SER 0 HB3 SER 0 -13.268 -12.459 -5.836
10 HG SER 0 HG SER 0 -13.794 -9.674 -6.080
11 H MET 1 H MET 1 -16.658 -12.011 -2.959
12 HA MET 1 HA MET 1 -17.000 -13.379 -1.183
13 HB2 MET 1 HB2 MET 1 -15.424 -15.344 -2.856
14 HB3 MET 1 HB3 MET 1 -16.369 -15.759 -1.433
15 HG2 MET 1 HG2 MET 1 -18.396 -14.977 -2.572
16 HG3 MET 1 HG3 MET 1 -17.435 -14.614 -4.004
17 HE1 MET 1 HE1 MET 1 -18.971 -16.105 -5.559
18 HE2 MET 1 HE2 MET 1 -20.005 -16.403 -4.161
19 HE3 MET 1 HE3 MET 1 -19.454 -17.753 -5.155
20 H ALA 2 H ALA 2 -14.725 -11.640 -1.141
21 HA ALA 2 HA ALA 2 -13.109 -13.029 0.868
22 HB1 ALA 2 HB1 ALA 2 -11.946 -11.367 -1.370
23 HB2 ALA 2 HB2 ALA 2 -11.829 -13.121 -1.221
24 HB3 ALA 2 HB3 ALA 2 -11.046 -12.082 -0.033
25 H GLU 3 H GLU 3 -15.060 -11.565 1.660
26 HA GLU 3 HA GLU 3 -15.657 -9.893 3.044
27 HB2 GLU 3 HB2 GLU 3 -12.776 -9.017 2.821
28 HB3 GLU 3 HB3 GLU 3 -13.957 -8.308 3.912
29 HG2 GLU 3 HG2 GLU 3 -14.216 -10.435 5.044
30 HG3 GLU 3 HG3 GLU 3 -13.054 -11.176 3.946
31 H ALA 4 H ALA 4 -17.006 -8.430 2.363
32 HA ALA 4 HA ALA 4 -16.391 -6.866 -0.013
33 HB1 ALA 4 HB1 ALA 4 -18.569 -7.958 0.107
34 HB2 ALA 4 HB2 ALA 4 -18.752 -6.204 0.065
35 HB3 ALA 4 HB3 ALA 4 -18.942 -7.074 1.587
36 H SER 5 H SER 5 -14.680 -5.823 1.381
37 HA SER 5 HA SER 5 -15.823 -3.495 2.773
38 HB2 SER 5 HB2 SER 5 -13.204 -4.886 3.399
39 HB3 SER 5 HB3 SER 5 -13.885 -3.505 4.261
40 HG SER 5 HG SER 5 -15.510 -5.745 4.021
41 HA PRO 6 HA PRO 6 -13.915 -0.698 -0.047
42 HB2 PRO 6 HB2 PRO 6 -12.522 0.410 2.363
43 HB3 PRO 6 HB3 PRO 6 -13.392 1.260 1.081
44 HG2 PRO 6 HG2 PRO 6 -14.539 0.870 3.441
45 HG3 PRO 6 HG3 PRO 6 -15.475 0.712 1.944
46 HD2 PRO 6 HD2 PRO 6 -14.463 -1.399 3.780
47 HD3 PRO 6 HD3 PRO 6 -15.923 -1.380 2.770
48 H HIS 7 H HIS 7 -11.541 -1.240 2.543
49 HA HIS 7 HA HIS 7 -9.471 -2.104 2.597
50 HB2 HIS 7 HB2 HIS 7 -10.257 -4.038 1.475
51 HB3 HIS 7 HB3 HIS 7 -10.247 -3.240 -0.082
52 HD1 HIS 7 HD1 HIS 7 -7.953 -4.764 2.475
53 HD2 HIS 7 HD2 HIS 7 -7.816 -3.303 -1.413
54 HE1 HIS 7 HE1 HIS 7 -5.698 -5.425 1.582
55 HE2 HIS 7 HE2 HIS 7 -5.584 -4.397 -0.717
56 HA PRO 8 HA PRO 8 -7.212 1.106 0.571
57 HB2 PRO 8 HB2 PRO 8 -5.011 0.929 2.147
58 HB3 PRO 8 HB3 PRO 8 -6.532 1.641 2.691
59 HG2 PRO 8 HG2 PRO 8 -5.281 -0.881 3.479
60 HG3 PRO 8 HG3 PRO 8 -6.583 0.017 4.270
61 HD2 PRO 8 HD2 PRO 8 -6.764 -2.295 2.528
62 HD3 PRO 8 HD3 PRO 8 -8.051 -1.507 3.457
63 H GLY 9 H GLY 9 -5.349 1.418 -0.714
64 HA2 GLY 9 HA2 GLY 9 -3.699 -0.916 -1.308
65 HA3 GLY 9 HA3 GLY 9 -4.660 -0.258 -2.623
66 H ARG 10 H ARG 10 -4.372 2.490 -1.703
67 HA ARG 10 HA ARG 10 -1.902 3.144 -2.935
68 HB2 ARG 10 HB2 ARG 10 -2.497 5.491 -2.156
69 HB3 ARG 10 HB3 ARG 10 -3.642 4.704 -3.235
70 HG2 ARG 10 HG2 ARG 10 -5.157 4.284 -1.489
71 HG3 ARG 10 HG3 ARG 10 -3.963 4.668 -0.251
72 HD2 ARG 10 HD2 ARG 10 -4.642 6.783 -0.262
73 HD3 ARG 10 HD3 ARG 10 -4.217 6.914 -1.967
74 HE ARG 10 HE ARG 10 -6.464 6.272 -2.520
75 HH11 ARG 10 HH11 ARG 10 -5.937 6.963 0.879
76 HH12 ARG 10 HH12 ARG 10 -7.603 7.370 1.170
77 HH21 ARG 10 HH21 ARG 10 -8.652 6.792 -2.118
78 HH22 ARG 10 HH22 ARG 10 -9.141 7.259 -0.521
79 H TYR 11 H TYR 11 -0.080 2.623 -1.949
80 HA TYR 11 HA TYR 11 0.309 3.597 0.803
81 HB2 TYR 11 HB2 TYR 11 1.290 1.111 -0.541
82 HB3 TYR 11 HB3 TYR 11 2.282 1.868 0.695
83 HD1 TYR 11 HD1 TYR 11 -1.301 0.841 0.232
84 HD2 TYR 11 HD2 TYR 11 2.066 1.105 2.815
85 HE1 TYR 11 HE1 TYR 11 -2.563 -0.330 1.991
86 HE2 TYR 11 HE2 TYR 11 0.834 -0.056 4.574
87 HH TYR 11 HH TYR 11 -1.572 -0.443 5.208
88 H PHE 12 H PHE 12 2.606 4.119 1.263
89 HA PHE 12 HA PHE 12 4.028 5.083 -1.114
90 HB2 PHE 12 HB2 PHE 12 2.717 6.852 0.206
91 HB3 PHE 12 HB3 PHE 12 3.928 6.633 1.466
92 HD1 PHE 12 HD1 PHE 12 3.314 7.719 -1.966
93 HD2 PHE 12 HD2 PHE 12 6.129 7.506 1.218
94 HE1 PHE 12 HE1 PHE 12 4.778 9.304 -3.161
95 HE2 PHE 12 HE2 PHE 12 7.610 9.087 0.024
96 HZ PHE 12 HZ PHE 12 6.925 9.990 -2.165
97 H CYS 13 H CYS 13 5.898 4.051 -1.192
98 HA CYS 13 HA CYS 13 6.981 2.777 1.154
99 HB2 CYS 13 HB2 CYS 13 7.165 1.548 -0.891
100 HB3 CYS 13 HB3 CYS 13 7.913 2.910 -1.712
101 H HIS 14 H HIS 14 8.543 3.478 2.426
102 HA HIS 14 HA HIS 14 9.580 6.142 2.102
103 HB2 HIS 14 HB2 HIS 14 9.707 4.012 4.181
104 HB3 HIS 14 HB3 HIS 14 10.974 5.237 4.193
105 HD1 HIS 14 HD1 HIS 14 10.440 7.117 5.679
106 HD2 HIS 14 HD2 HIS 14 7.015 5.460 4.014
107 HE1 HIS 14 HE1 HIS 14 8.523 8.417 6.653
108 HE2 HIS 14 HE2 HIS 14 6.483 7.540 5.456
109 H CYS 15 H CYS 15 10.644 2.942 1.442
110 HA CYS 15 HA CYS 15 13.443 3.531 1.309
111 HB2 CYS 15 HB2 CYS 15 11.857 1.175 0.268
112 HB3 CYS 15 HB3 CYS 15 13.603 1.226 0.443
113 HG CYS 15 HG CYS 15 13.642 1.280 3.173
114 H CYS 16 H CYS 16 10.768 3.439 -0.941
115 HA CYS 16 HA CYS 16 12.588 4.014 -3.177
116 HB2 CYS 16 HB2 CYS 16 9.666 3.245 -3.167
117 HB3 CYS 16 HB3 CYS 16 10.598 3.602 -4.608
118 H SER 17 H SER 17 10.550 5.495 -1.002
119 HA SER 17 HA SER 17 9.286 7.348 -0.840
120 HB2 SER 17 HB2 SER 17 10.346 9.441 -1.640
121 HB3 SER 17 HB3 SER 17 11.441 8.409 -0.728
122 HG SER 17 HG SER 17 11.530 7.849 -3.385
123 H VAL 18 H VAL 18 8.174 5.718 -2.615
124 HA VAL 18 HA VAL 18 6.913 7.575 -4.490
125 HB VAL 18 HB VAL 18 6.868 5.929 -6.287
126 HG11 VAL 18 HG11 VAL 18 8.688 7.529 -6.300
127 HG12 VAL 18 HG12 VAL 18 9.223 5.976 -6.947
128 HG13 VAL 18 HG13 VAL 18 9.665 6.449 -5.307
129 HG21 VAL 18 HG21 VAL 18 8.238 3.895 -6.167
130 HG22 VAL 18 HG22 VAL 18 6.936 3.902 -4.978
131 HG23 VAL 18 HG23 VAL 18 8.588 4.254 -4.478
132 H GLU 19 H GLU 19 4.898 6.644 -5.377
133 HA GLU 19 HA GLU 19 3.382 5.502 -3.179
134 HB2 GLU 19 HB2 GLU 19 2.789 7.489 -4.836
135 HB3 GLU 19 HB3 GLU 19 2.166 6.179 -5.821
136 HG2 GLU 19 HG2 GLU 19 0.828 5.489 -3.823
137 HG3 GLU 19 HG3 GLU 19 1.323 6.990 -3.066
138 H ILE 20 H ILE 20 2.664 3.454 -3.106
139 HA ILE 20 HA ILE 20 3.026 1.730 -5.479
140 HB ILE 20 HB ILE 20 3.980 -0.030 -4.029
141 HG12 ILE 20 HG12 ILE 20 4.787 1.735 -1.873
142 HG13 ILE 20 HG13 ILE 20 3.039 1.581 -1.968
143 HG21 ILE 20 HG21 ILE 20 5.532 2.553 -4.014
144 HG22 ILE 20 HG22 ILE 20 5.497 1.356 -5.308
145 HG23 ILE 20 HG23 ILE 20 6.215 0.949 -3.750
146 HD11 ILE 20 HD11 ILE 20 3.918 -0.055 -0.457
147 HD12 ILE 20 HD12 ILE 20 5.033 -0.650 -1.688
148 HD13 ILE 20 HD13 ILE 20 3.294 -0.868 -1.893
149 H VAL 21 H VAL 21 1.999 -0.369 -5.239
150 HA VAL 21 HA VAL 21 -0.150 -0.447 -3.229
151 HB VAL 21 HB VAL 21 -1.216 -0.358 -5.356
152 HG11 VAL 21 HG11 VAL 21 0.731 -0.866 -6.735
153 HG12 VAL 21 HG12 VAL 21 -0.675 -1.818 -7.221
154 HG13 VAL 21 HG13 VAL 21 0.613 -2.566 -6.277
155 HG21 VAL 21 HG21 VAL 21 -2.176 -1.998 -3.847
156 HG22 VAL 21 HG22 VAL 21 -1.090 -3.239 -4.475
157 HG23 VAL 21 HG23 VAL 21 -2.327 -2.541 -5.519
158 HA PRO 22 HA PRO 22 2.749 -3.444 -1.681
159 HB2 PRO 22 HB2 PRO 22 0.686 -4.008 0.336
160 HB3 PRO 22 HB3 PRO 22 2.321 -3.388 0.548
161 HG2 PRO 22 HG2 PRO 22 0.191 -1.830 0.900
162 HG3 PRO 22 HG3 PRO 22 1.686 -1.206 0.182
163 HD2 PRO 22 HD2 PRO 22 -0.858 -2.033 -1.167
164 HD3 PRO 22 HD3 PRO 22 0.172 -0.617 -1.470
165 H ARG 23 H ARG 23 3.076 -5.604 -1.660
166 HA ARG 23 HA ARG 23 1.092 -7.419 -2.663
167 HB2 ARG 23 HB2 ARG 23 3.706 -7.950 -1.224
168 HB3 ARG 23 HB3 ARG 23 2.758 -9.149 -2.078
169 HG2 ARG 23 HG2 ARG 23 3.159 -7.962 -4.178
170 HG3 ARG 23 HG3 ARG 23 4.128 -6.770 -3.308
171 HD2 ARG 23 HD2 ARG 23 5.613 -8.608 -2.565
172 HD3 ARG 23 HD3 ARG 23 4.689 -9.718 -3.567
173 HE ARG 23 HE ARG 23 5.429 -7.844 -5.339
174 HH11 ARG 23 HH11 ARG 23 7.208 -9.695 -2.960
175 HH12 ARG 23 HH12 ARG 23 8.703 -9.649 -3.846
176 HH21 ARG 23 HH21 ARG 23 7.394 -7.808 -6.526
177 HH22 ARG 23 HH22 ARG 23 8.794 -8.601 -5.884
178 H LEU 24 H LEU 24 -0.679 -7.728 -1.355
179 HA LEU 24 HA LEU 24 -0.723 -6.771 1.239
180 HB2 LEU 24 HB2 LEU 24 -2.592 -7.632 -0.574
181 HB3 LEU 24 HB3 LEU 24 -2.797 -8.725 0.779
182 HG LEU 24 HG LEU 24 -4.243 -6.681 0.830
183 HD11 LEU 24 HD11 LEU 24 -3.897 -6.246 3.214
184 HD12 LEU 24 HD12 LEU 24 -2.336 -7.061 3.128
185 HD13 LEU 24 HD13 LEU 24 -3.822 -7.968 2.846
186 HD21 LEU 24 HD21 LEU 24 -3.320 -4.561 1.377
187 HD22 LEU 24 HD22 LEU 24 -2.447 -5.160 -0.033
188 HD23 LEU 24 HD23 LEU 24 -1.705 -5.241 1.565
189 HA PRO 25 HA PRO 25 -0.616 -11.416 2.906
190 HB2 PRO 25 HB2 PRO 25 1.240 -12.410 0.797
191 HB3 PRO 25 HB3 PRO 25 -0.007 -13.284 1.692
192 HG2 PRO 25 HG2 PRO 25 -0.443 -12.579 -0.809
193 HG3 PRO 25 HG3 PRO 25 -1.727 -12.373 0.399
194 HD2 PRO 25 HD2 PRO 25 0.108 -10.322 -0.784
195 HD3 PRO 25 HD3 PRO 25 -1.621 -10.210 -0.421
196 H ASP 26 H ASP 26 2.012 -9.782 1.229
197 HA ASP 26 HA ASP 26 3.906 -10.557 3.322
198 HB2 ASP 26 HB2 ASP 26 4.268 -9.284 0.613
199 HB3 ASP 26 HB3 ASP 26 5.573 -9.384 1.787
200 H TYR 27 H TYR 27 2.061 -7.898 2.210
201 HA TYR 27 HA TYR 27 1.937 -5.695 2.662
202 HB2 TYR 27 HB2 TYR 27 2.686 -6.923 5.234
203 HB3 TYR 27 HB3 TYR 27 2.973 -5.191 5.118
204 HD1 TYR 27 HD1 TYR 27 0.764 -4.177 3.580
205 HD2 TYR 27 HD2 TYR 27 0.779 -7.277 6.495
206 HE1 TYR 27 HE1 TYR 27 -1.597 -3.720 4.066
207 HE2 TYR 27 HE2 TYR 27 -1.588 -6.832 6.981
208 HH TYR 27 HH TYR 27 -3.533 -4.846 5.005
209 H ILE 28 H ILE 28 4.221 -6.507 1.198
210 HA ILE 28 HA ILE 28 6.208 -4.586 2.189
211 HB ILE 28 HB ILE 28 7.857 -5.744 0.752
212 HG12 ILE 28 HG12 ILE 28 5.668 -7.812 0.451
213 HG13 ILE 28 HG13 ILE 28 6.261 -6.762 -0.828
214 HG21 ILE 28 HG21 ILE 28 7.750 -6.219 3.125
215 HG22 ILE 28 HG22 ILE 28 8.159 -7.679 2.224
216 HG23 ILE 28 HG23 ILE 28 6.523 -7.455 2.845
217 HD11 ILE 28 HD11 ILE 28 8.443 -7.819 -0.697
218 HD12 ILE 28 HD12 ILE 28 7.176 -9.008 -0.996
219 HD13 ILE 28 HD13 ILE 28 7.874 -8.849 0.616
220 H CYS 29 H CYS 29 7.689 -4.120 0.136
221 HA CYS 29 HA CYS 29 6.047 -2.477 -1.606
222 HB2 CYS 29 HB2 CYS 29 8.078 -1.627 -0.445
223 HB3 CYS 29 HB3 CYS 29 9.044 -2.794 -1.322
224 HA PRO 30 HA PRO 30 6.522 -5.449 -4.908
225 HB2 PRO 30 HB2 PRO 30 5.630 -3.964 -6.965
226 HB3 PRO 30 HB3 PRO 30 4.540 -4.547 -5.703
227 HG2 PRO 30 HG2 PRO 30 5.716 -1.833 -6.087
228 HG3 PRO 30 HG3 PRO 30 4.096 -2.284 -5.534
229 HD2 PRO 30 HD2 PRO 30 6.183 -1.512 -3.888
230 HD3 PRO 30 HD3 PRO 30 4.768 -2.456 -3.365
231 H ARG 31 H ARG 31 8.210 -2.547 -4.549
232 HA ARG 31 HA ARG 31 9.851 -2.963 -6.926
233 HB2 ARG 31 HB2 ARG 31 10.299 -0.638 -5.144
234 HB3 ARG 31 HB3 ARG 31 10.343 -0.731 -6.893
235 HG2 ARG 31 HG2 ARG 31 7.810 -0.980 -6.739
236 HG3 ARG 31 HG3 ARG 31 7.986 -0.430 -5.081
237 HD2 ARG 31 HD2 ARG 31 7.526 1.502 -6.327
238 HD3 ARG 31 HD3 ARG 31 9.257 1.538 -6.018
239 HE ARG 31 HE ARG 31 8.392 0.400 -8.556
240 HH11 ARG 31 HH11 ARG 31 9.783 3.115 -6.832
241 HH12 ARG 31 HH12 ARG 31 10.315 3.921 -8.269
242 HH21 ARG 31 HH21 ARG 31 9.095 1.465 -10.448
243 HH22 ARG 31 HH22 ARG 31 9.921 2.987 -10.322
244 H CYS 32 H CYS 32 10.215 -2.469 -3.380
245 HA CYS 32 HA CYS 32 12.950 -3.505 -3.706
246 HB2 CYS 32 HB2 CYS 32 13.718 -2.092 -1.915
247 HB3 CYS 32 HB3 CYS 32 12.901 -1.103 -3.116
248 H GLU 33 H GLU 33 9.978 -4.140 -2.346
249 HA GLU 33 HA GLU 33 9.188 -5.749 -0.953
250 HB2 GLU 33 HB2 GLU 33 11.930 -6.963 -1.312
251 HB3 GLU 33 HB3 GLU 33 10.479 -7.804 -0.789
252 HG2 GLU 33 HG2 GLU 33 9.450 -7.395 -2.962
253 HG3 GLU 33 HG3 GLU 33 10.897 -6.533 -3.486
254 H SER 34 H SER 34 10.318 -3.475 0.351
255 HA SER 34 HA SER 34 11.925 -4.515 2.525
256 HB2 SER 34 HB2 SER 34 12.829 -2.483 1.981
257 HB3 SER 34 HB3 SER 34 11.283 -1.773 1.523
258 HG SER 34 HG SER 34 12.560 -1.419 3.765
259 H GLY 35 H GLY 35 8.926 -2.576 2.335
260 HA2 GLY 35 HA2 GLY 35 6.999 -3.455 3.607
261 HA3 GLY 35 HA3 GLY 35 8.154 -3.823 4.874
262 H PHE 36 H PHE 36 9.552 -1.219 4.193
263 HA PHE 36 HA PHE 36 8.175 0.479 6.005
264 HB2 PHE 36 HB2 PHE 36 10.572 0.765 4.248
265 HB3 PHE 36 HB3 PHE 36 9.851 2.208 4.947
266 HD1 PHE 36 HD1 PHE 36 11.407 -1.040 5.768
267 HD2 PHE 36 HD2 PHE 36 10.165 2.771 7.182
268 HE1 PHE 36 HE1 PHE 36 12.611 -1.439 7.878
269 HE2 PHE 36 HE2 PHE 36 11.367 2.384 9.299
270 HZ PHE 36 HZ PHE 36 12.591 0.276 9.647
271 H ILE 37 H ILE 37 6.074 0.531 5.038
272 HA ILE 37 HA ILE 37 5.874 2.525 2.892
273 HB ILE 37 HB ILE 37 3.918 1.297 1.987
274 HG12 ILE 37 HG12 ILE 37 4.788 -0.775 4.002
275 HG13 ILE 37 HG13 ILE 37 3.215 -0.033 3.841
276 HG21 ILE 37 HG21 ILE 37 5.271 -0.515 0.911
277 HG22 ILE 37 HG22 ILE 37 6.590 -0.078 2.001
278 HG23 ILE 37 HG23 ILE 37 5.977 1.100 0.838
279 HD11 ILE 37 HD11 ILE 37 3.240 -2.346 3.056
280 HD12 ILE 37 HD12 ILE 37 4.447 -1.914 1.844
281 HD13 ILE 37 HD13 ILE 37 2.830 -1.214 1.770
282 H GLU 38 H GLU 38 4.001 3.805 2.915
283 HA GLU 38 HA GLU 38 2.599 3.801 5.498
284 HB2 GLU 38 HB2 GLU 38 3.477 6.068 3.743
285 HB3 GLU 38 HB3 GLU 38 2.218 6.277 4.955
286 HG2 GLU 38 HG2 GLU 38 3.885 5.384 6.635
287 HG3 GLU 38 HG3 GLU 38 5.103 5.573 5.373
288 H GLU 39 H GLU 39 0.528 3.370 5.432
289 HA GLU 39 HA GLU 39 -0.948 3.202 3.007
290 HB2 GLU 39 HB2 GLU 39 -1.328 1.761 5.013
291 HB3 GLU 39 HB3 GLU 39 -1.934 3.163 5.870
292 HG2 GLU 39 HG2 GLU 39 -3.214 2.407 3.297
293 HG3 GLU 39 HG3 GLU 39 -3.543 1.434 4.728
294 H LEU 40 H LEU 40 -1.780 4.842 1.957
295 HA LEU 40 HA LEU 40 -1.765 7.469 3.156
296 HB2 LEU 40 HB2 LEU 40 -2.487 6.597 0.368
297 HB3 LEU 40 HB3 LEU 40 -2.283 8.254 0.892
298 HG LEU 40 HG LEU 40 -0.103 6.166 0.826
299 HD11 LEU 40 HD11 LEU 40 0.804 7.510 -1.003
300 HD12 LEU 40 HD12 LEU 40 -0.647 8.511 -0.971
301 HD13 LEU 40 HD13 LEU 40 -0.762 6.804 -1.397
302 HD21 LEU 40 HD21 LEU 40 0.270 7.773 2.601
303 HD22 LEU 40 HD22 LEU 40 -0.019 9.106 1.485
304 HD23 LEU 40 HD23 LEU 40 1.392 8.071 1.274
Start of MODEL 10
1 H1 GLY -1 H1 GLY -1 -11.829 8.530 -6.081
2 H2 GLY -1 H2 GLY -1 -12.731 8.136 -7.452
3 H3 GLY -1 H3 GLY -1 -11.577 9.366 -7.529
4 HA2 GLY -1 HA3 GLY -1 -10.720 7.402 -8.590
5 HA3 GLY -1 HA2 GLY -1 -9.810 7.763 -7.132
6 H SER 0 H SER 0 -9.627 6.224 -5.612
7 HA SER 0 HA SER 0 -10.680 3.620 -6.250
8 HB2 SER 0 HB2 SER 0 -9.304 2.927 -4.255
9 HB3 SER 0 HB3 SER 0 -8.395 3.726 -5.537
10 HG SER 0 HG SER 0 -8.494 4.397 -3.011
11 H MET 1 H MET 1 -11.436 6.198 -4.069
12 HA MET 1 HA MET 1 -12.974 4.528 -2.276
13 HB2 MET 1 HB2 MET 1 -12.569 7.515 -2.428
14 HB3 MET 1 HB3 MET 1 -13.620 6.746 -1.246
15 HG2 MET 1 HG2 MET 1 -10.659 6.311 -1.553
16 HG3 MET 1 HG3 MET 1 -11.459 7.228 -0.277
17 HE1 MET 1 HE1 MET 1 -9.347 4.931 0.299
18 HE2 MET 1 HE2 MET 1 -10.133 4.062 1.616
19 HE3 MET 1 HE3 MET 1 -10.168 5.824 1.578
20 H ALA 2 H ALA 2 -13.966 4.026 -4.650
21 HA ALA 2 HA ALA 2 -16.542 5.465 -4.693
22 HB1 ALA 2 HB1 ALA 2 -16.693 4.937 -7.082
23 HB2 ALA 2 HB2 ALA 2 -15.108 4.168 -7.012
24 HB3 ALA 2 HB3 ALA 2 -15.259 5.901 -6.727
25 H GLU 3 H GLU 3 -16.099 3.426 -2.947
26 HA GLU 3 HA GLU 3 -16.713 1.374 -2.229
27 HB2 GLU 3 HB2 GLU 3 -18.825 1.864 -4.320
28 HB3 GLU 3 HB3 GLU 3 -18.797 0.388 -3.367
29 HG2 GLU 3 HG2 GLU 3 -20.321 1.876 -2.334
30 HG3 GLU 3 HG3 GLU 3 -18.888 1.803 -1.314
31 H ALA 4 H ALA 4 -14.542 1.135 -3.467
32 HA ALA 4 HA ALA 4 -14.797 -1.239 -5.152
33 HB1 ALA 4 HB1 ALA 4 -13.158 -0.411 -6.741
34 HB2 ALA 4 HB2 ALA 4 -13.040 1.109 -5.855
35 HB3 ALA 4 HB3 ALA 4 -14.544 0.677 -6.670
36 H SER 5 H SER 5 -12.602 0.913 -3.360
37 HA SER 5 HA SER 5 -11.101 -1.492 -2.565
38 HB2 SER 5 HB2 SER 5 -9.927 1.239 -3.139
39 HB3 SER 5 HB3 SER 5 -9.030 -0.197 -2.644
40 HG SER 5 HG SER 5 -10.235 -1.071 -4.675
41 HA PRO 6 HA PRO 6 -12.208 0.717 1.305
42 HB2 PRO 6 HB2 PRO 6 -13.678 -1.205 2.466
43 HB3 PRO 6 HB3 PRO 6 -14.365 -0.102 1.273
44 HG2 PRO 6 HG2 PRO 6 -13.627 -2.950 0.999
45 HG3 PRO 6 HG3 PRO 6 -14.858 -2.018 0.137
46 HD2 PRO 6 HD2 PRO 6 -12.255 -2.701 -0.774
47 HD3 PRO 6 HD3 PRO 6 -13.431 -1.645 -1.575
48 H HIS 7 H HIS 7 -9.913 -0.966 0.464
49 HA HIS 7 HA HIS 7 -9.060 -1.780 3.131
50 HB2 HIS 7 HB2 HIS 7 -8.057 -3.857 2.289
51 HB3 HIS 7 HB3 HIS 7 -9.789 -3.864 2.048
52 HD1 HIS 7 HD1 HIS 7 -10.570 -4.457 -0.236
53 HD2 HIS 7 HD2 HIS 7 -6.582 -3.284 -0.204
54 HE1 HIS 7 HE1 HIS 7 -9.722 -4.881 -2.563
55 HE2 HIS 7 HE2 HIS 7 -7.345 -4.046 -2.557
56 HA PRO 8 HA PRO 8 -5.358 0.423 2.307
57 HB2 PRO 8 HB2 PRO 8 -3.838 -2.057 2.947
58 HB3 PRO 8 HB3 PRO 8 -3.676 -0.431 3.620
59 HG2 PRO 8 HG2 PRO 8 -4.852 -2.362 5.008
60 HG3 PRO 8 HG3 PRO 8 -5.471 -0.702 5.054
61 HD2 PRO 8 HD2 PRO 8 -6.541 -3.086 3.621
62 HD3 PRO 8 HD3 PRO 8 -7.412 -1.745 4.390
63 H GLY 9 H GLY 9 -4.542 0.924 0.366
64 HA2 GLY 9 HA2 GLY 9 -3.518 -1.226 -1.333
65 HA3 GLY 9 HA3 GLY 9 -4.805 -0.221 -1.986
66 H ARG 10 H ARG 10 -4.182 2.230 -1.136
67 HA ARG 10 HA ARG 10 -1.823 2.885 -2.636
68 HB2 ARG 10 HB2 ARG 10 -2.468 5.239 -1.969
69 HB3 ARG 10 HB3 ARG 10 -3.654 4.359 -2.916
70 HG2 ARG 10 HG2 ARG 10 -5.020 3.978 -1.049
71 HG3 ARG 10 HG3 ARG 10 -3.769 4.498 0.078
72 HD2 ARG 10 HD2 ARG 10 -5.048 6.392 -0.004
73 HD3 ARG 10 HD3 ARG 10 -3.950 6.710 -1.341
74 HE ARG 10 HE ARG 10 -6.029 5.388 -2.501
75 HH11 ARG 10 HH11 ARG 10 -5.734 8.283 -0.554
76 HH12 ARG 10 HH12 ARG 10 -7.104 9.061 -1.274
77 HH21 ARG 10 HH21 ARG 10 -7.854 6.405 -3.439
78 HH22 ARG 10 HH22 ARG 10 -8.299 8.004 -2.919
79 H TYR 11 H TYR 11 0.045 2.492 -1.687
80 HA TYR 11 HA TYR 11 0.433 3.474 1.062
81 HB2 TYR 11 HB2 TYR 11 1.442 1.024 -0.312
82 HB3 TYR 11 HB3 TYR 11 2.463 1.801 0.889
83 HD1 TYR 11 HD2 TYR 11 -1.051 0.565 0.488
84 HD2 TYR 11 HD1 TYR 11 2.271 1.173 3.073
85 HE1 TYR 11 HE2 TYR 11 -2.242 -0.605 2.302
86 HE2 TYR 11 HE1 TYR 11 1.106 0.008 4.882
87 HH TYR 11 HH TYR 11 -1.124 -0.585 5.559
88 H PHE 12 H PHE 12 2.629 4.213 1.505
89 HA PHE 12 HA PHE 12 4.004 5.138 -0.917
90 HB2 PHE 12 HB2 PHE 12 2.683 6.894 0.420
91 HB3 PHE 12 HB3 PHE 12 3.956 6.734 1.632
92 HD1 PHE 12 HD1 PHE 12 3.140 7.744 -1.768
93 HD2 PHE 12 HD2 PHE 12 6.139 7.614 1.239
94 HE1 PHE 12 HE1 PHE 12 4.513 9.317 -3.078
95 HE2 PHE 12 HE2 PHE 12 7.533 9.184 -0.067
96 HZ PHE 12 HZ PHE 12 6.708 10.042 -2.226
97 H CYS 13 H CYS 13 5.851 4.097 -1.044
98 HA CYS 13 HA CYS 13 7.056 2.865 1.250
99 HB2 CYS 13 HB2 CYS 13 7.191 1.686 -0.838
100 HB3 CYS 13 HB3 CYS 13 7.916 3.075 -1.638
101 H HIS 14 H HIS 14 8.718 3.531 2.432
102 HA HIS 14 HA HIS 14 9.622 6.251 2.127
103 HB2 HIS 14 HB2 HIS 14 9.919 4.109 4.180
104 HB3 HIS 14 HB3 HIS 14 11.083 5.432 4.179
105 HD1 HIS 14 HD1 HIS 14 10.399 7.053 5.920
106 HD2 HIS 14 HD2 HIS 14 7.131 5.524 3.860
107 HE1 HIS 14 HE1 HIS 14 8.395 8.234 6.859
108 HE2 HIS 14 HE2 HIS 14 6.460 7.455 5.450
109 H CYS 15 H CYS 15 10.810 3.099 1.372
110 HA CYS 15 HA CYS 15 13.563 3.866 1.109
111 HB2 CYS 15 HB2 CYS 15 12.846 1.536 1.585
112 HB3 CYS 15 HB3 CYS 15 12.113 1.455 -0.008
113 HG CYS 15 HG CYS 15 15.379 1.328 0.855
114 H CYS 16 H CYS 16 10.863 3.306 -1.102
115 HA CYS 16 HA CYS 16 12.470 4.110 -3.394
116 HB2 CYS 16 HB2 CYS 16 9.566 3.277 -3.251
117 HB3 CYS 16 HB3 CYS 16 10.477 3.561 -4.722
118 H SER 17 H SER 17 10.437 5.488 -1.129
119 HA SER 17 HA SER 17 9.222 7.358 -0.873
120 HB2 SER 17 HB2 SER 17 10.242 9.452 -1.770
121 HB3 SER 17 HB3 SER 17 11.354 8.436 -0.860
122 HG SER 17 HG SER 17 11.412 7.770 -3.473
123 H VAL 18 H VAL 18 8.090 5.703 -2.725
124 HA VAL 18 HA VAL 18 6.696 7.650 -4.410
125 HB VAL 18 HB VAL 18 6.535 6.094 -6.272
126 HG11 VAL 18 HG11 VAL 18 8.401 7.683 -6.245
127 HG12 VAL 18 HG12 VAL 18 8.816 6.192 -7.091
128 HG13 VAL 18 HG13 VAL 18 9.410 6.471 -5.453
129 HG21 VAL 18 HG21 VAL 18 6.664 3.999 -5.055
130 HG22 VAL 18 HG22 VAL 18 8.352 4.311 -4.660
131 HG23 VAL 18 HG23 VAL 18 7.877 4.038 -6.335
132 H GLU 19 H GLU 19 4.606 6.811 -5.175
133 HA GLU 19 HA GLU 19 3.248 5.487 -2.985
134 HB2 GLU 19 HB2 GLU 19 2.429 7.484 -4.534
135 HB3 GLU 19 HB3 GLU 19 1.844 6.165 -5.534
136 HG2 GLU 19 HG2 GLU 19 0.759 5.303 -3.390
137 HG3 GLU 19 HG3 GLU 19 1.067 6.903 -2.744
138 H ILE 20 H ILE 20 2.545 3.433 -2.974
139 HA ILE 20 HA ILE 20 2.886 1.800 -5.406
140 HB ILE 20 HB ILE 20 3.841 -0.022 -3.980
141 HG12 ILE 20 HG12 ILE 20 4.769 1.819 -1.912
142 HG13 ILE 20 HG13 ILE 20 3.031 1.561 -1.882
143 HG21 ILE 20 HG21 ILE 20 5.459 2.517 -4.094
144 HG22 ILE 20 HG22 ILE 20 5.304 1.317 -5.377
145 HG23 ILE 20 HG23 ILE 20 6.109 0.893 -3.866
146 HD11 ILE 20 HD11 ILE 20 4.132 0.017 -0.410
147 HD12 ILE 20 HD12 ILE 20 5.167 -0.548 -1.722
148 HD13 ILE 20 HD13 ILE 20 3.431 -0.862 -1.770
149 H VAL 21 H VAL 21 1.863 -0.295 -5.231
150 HA VAL 21 HA VAL 21 -0.228 -0.462 -3.164
151 HB VAL 21 HB VAL 21 -1.352 -0.312 -5.258
152 HG11 VAL 21 HG11 VAL 21 -0.843 -1.700 -7.191
153 HG12 VAL 21 HG12 VAL 21 0.480 -2.459 -6.306
154 HG13 VAL 21 HG13 VAL 21 0.561 -0.743 -6.708
155 HG21 VAL 21 HG21 VAL 21 -2.447 -2.495 -5.469
156 HG22 VAL 21 HG22 VAL 21 -2.242 -2.024 -3.781
157 HG23 VAL 21 HG23 VAL 21 -1.168 -3.226 -4.499
158 HA PRO 22 HA PRO 22 2.822 -3.404 -1.809
159 HB2 PRO 22 HB2 PRO 22 0.857 -3.993 0.303
160 HB3 PRO 22 HB3 PRO 22 2.501 -3.392 0.442
161 HG2 PRO 22 HG2 PRO 22 0.398 -1.829 0.917
162 HG3 PRO 22 HG3 PRO 22 1.872 -1.202 0.156
163 HD2 PRO 22 HD2 PRO 22 -0.739 -1.944 -1.095
164 HD3 PRO 22 HD3 PRO 22 0.325 -0.565 -1.439
165 H ARG 23 H ARG 23 3.151 -5.577 -1.779
166 HA ARG 23 HA ARG 23 1.181 -7.376 -2.794
167 HB2 ARG 23 HB2 ARG 23 3.732 -7.928 -1.247
168 HB3 ARG 23 HB3 ARG 23 2.798 -9.130 -2.116
169 HG2 ARG 23 HG2 ARG 23 3.295 -7.982 -4.223
170 HG3 ARG 23 HG3 ARG 23 4.243 -6.787 -3.335
171 HD2 ARG 23 HD2 ARG 23 5.647 -8.667 -2.484
172 HD3 ARG 23 HD3 ARG 23 4.780 -9.740 -3.579
173 HE ARG 23 HE ARG 23 5.678 -7.809 -5.230
174 HH11 ARG 23 HH11 ARG 23 7.224 -9.824 -2.827
175 HH12 ARG 23 HH12 ARG 23 8.781 -9.785 -3.602
176 HH21 ARG 23 HH21 ARG 23 7.706 -7.788 -6.289
177 HH22 ARG 23 HH22 ARG 23 9.043 -8.656 -5.598
178 H LEU 24 H LEU 24 -0.624 -7.562 -1.583
179 HA LEU 24 HA LEU 24 -0.787 -6.756 1.060
180 HB2 LEU 24 HB2 LEU 24 -2.552 -7.491 -0.950
181 HB3 LEU 24 HB3 LEU 24 -2.924 -8.541 0.400
182 HG LEU 24 HG LEU 24 -4.244 -6.427 0.342
183 HD11 LEU 24 HD11 LEU 24 -4.006 -7.650 2.414
184 HD12 LEU 24 HD12 LEU 24 -3.962 -5.915 2.727
185 HD13 LEU 24 HD13 LEU 24 -2.467 -6.850 2.733
186 HD21 LEU 24 HD21 LEU 24 -3.213 -4.341 0.928
187 HD22 LEU 24 HD22 LEU 24 -2.394 -4.997 -0.490
188 HD23 LEU 24 HD23 LEU 24 -1.640 -5.116 1.097
189 HA PRO 25 HA PRO 25 -0.848 -11.561 2.283
190 HB2 PRO 25 HB2 PRO 25 1.326 -12.228 0.352
191 HB3 PRO 25 HB3 PRO 25 0.038 -13.259 0.986
192 HG2 PRO 25 HG2 PRO 25 -0.129 -12.310 -1.465
193 HG3 PRO 25 HG3 PRO 25 -1.561 -12.303 -0.419
194 HD2 PRO 25 HD2 PRO 25 0.254 -10.047 -1.159
195 HD3 PRO 25 HD3 PRO 25 -1.508 -10.067 -0.981
196 H ASP 26 H ASP 26 1.885 -9.615 1.193
197 HA ASP 26 HA ASP 26 3.448 -10.553 3.507
198 HB2 ASP 26 HB2 ASP 26 4.370 -9.375 0.884
199 HB3 ASP 26 HB3 ASP 26 5.441 -9.748 2.230
200 H TYR 27 H TYR 27 1.896 -7.886 2.130
201 HA TYR 27 HA TYR 27 1.726 -5.689 2.577
202 HB2 TYR 27 HB2 TYR 27 2.351 -6.888 5.195
203 HB3 TYR 27 HB3 TYR 27 2.642 -5.157 5.074
204 HD1 TYR 27 HD2 TYR 27 0.511 -4.157 3.430
205 HD2 TYR 27 HD1 TYR 27 0.390 -7.237 6.364
206 HE1 TYR 27 HE2 TYR 27 -1.877 -3.706 3.789
207 HE2 TYR 27 HE1 TYR 27 -1.999 -6.796 6.734
208 HH TYR 27 HH TYR 27 -3.897 -5.016 4.658
209 H ILE 28 H ILE 28 4.067 -6.454 1.200
210 HA ILE 28 HA ILE 28 6.001 -4.518 2.281
211 HB ILE 28 HB ILE 28 7.717 -5.699 0.908
212 HG12 ILE 28 HG12 ILE 28 5.592 -7.837 0.684
213 HG13 ILE 28 HG13 ILE 28 6.143 -6.823 -0.641
214 HG21 ILE 28 HG21 ILE 28 6.359 -7.310 3.056
215 HG22 ILE 28 HG22 ILE 28 7.576 -6.055 3.291
216 HG23 ILE 28 HG23 ILE 28 8.005 -7.559 2.474
217 HD11 ILE 28 HD11 ILE 28 7.805 -8.813 0.883
218 HD12 ILE 28 HD12 ILE 28 8.388 -7.777 -0.420
219 HD13 ILE 28 HD13 ILE 28 7.168 -9.007 -0.750
220 H CYS 29 H CYS 29 7.586 -4.051 0.283
221 HA CYS 29 HA CYS 29 5.985 -2.440 -1.530
222 HB2 CYS 29 HB2 CYS 29 8.004 -1.573 -0.323
223 HB3 CYS 29 HB3 CYS 29 8.986 -2.709 -1.221
224 HA PRO 30 HA PRO 30 6.513 -5.457 -4.758
225 HB2 PRO 30 HB2 PRO 30 5.596 -4.002 -6.836
226 HB3 PRO 30 HB3 PRO 30 4.519 -4.631 -5.585
227 HG2 PRO 30 HG2 PRO 30 5.577 -1.870 -5.961
228 HG3 PRO 30 HG3 PRO 30 3.982 -2.394 -5.395
229 HD2 PRO 30 HD2 PRO 30 6.053 -1.530 -3.772
230 HD3 PRO 30 HD3 PRO 30 4.680 -2.522 -3.230
231 H ARG 31 H ARG 31 8.048 -2.426 -4.541
232 HA ARG 31 HA ARG 31 9.758 -2.893 -6.839
233 HB2 ARG 31 HB2 ARG 31 10.131 -0.588 -4.986
234 HB3 ARG 31 HB3 ARG 31 10.356 -0.669 -6.724
235 HG2 ARG 31 HG2 ARG 31 7.724 -1.050 -6.614
236 HG3 ARG 31 HG3 ARG 31 7.936 -0.117 -5.140
237 HD2 ARG 31 HD2 ARG 31 7.473 1.399 -6.919
238 HD3 ARG 31 HD3 ARG 31 9.162 1.582 -6.460
239 HE ARG 31 HE ARG 31 8.360 -0.045 -8.783
240 HH11 ARG 31 HH11 ARG 31 10.284 2.545 -7.397
241 HH12 ARG 31 HH12 ARG 31 11.201 2.801 -8.843
242 HH21 ARG 31 HH21 ARG 31 9.582 0.287 -10.672
243 HH22 ARG 31 HH22 ARG 31 10.820 1.505 -10.697
244 H CYS 32 H CYS 32 10.113 -2.448 -3.280
245 HA CYS 32 HA CYS 32 12.847 -3.474 -3.639
246 HB2 CYS 32 HB2 CYS 32 13.647 -2.043 -1.869
247 HB3 CYS 32 HB3 CYS 32 12.826 -1.069 -3.080
248 H GLU 33 H GLU 33 9.899 -4.133 -2.229
249 HA GLU 33 HA GLU 33 9.155 -5.709 -0.761
250 HB2 GLU 33 HB2 GLU 33 11.901 -6.908 -1.132
251 HB3 GLU 33 HB3 GLU 33 10.473 -7.742 -0.544
252 HG2 GLU 33 HG2 GLU 33 9.406 -7.505 -2.698
253 HG3 GLU 33 HG3 GLU 33 10.775 -6.568 -3.298
254 H SER 34 H SER 34 10.092 -3.431 0.459
255 HA SER 34 HA SER 34 11.974 -4.165 2.538
256 HB2 SER 34 HB2 SER 34 12.430 -2.061 1.562
257 HB3 SER 34 HB3 SER 34 10.743 -1.563 1.651
258 HG SER 34 HG SER 34 12.728 -1.458 3.558
259 H GLY 35 H GLY 35 8.750 -2.637 2.450
260 HA2 GLY 35 HA2 GLY 35 7.012 -3.411 3.962
261 HA3 GLY 35 HA3 GLY 35 8.285 -3.720 5.132
262 H PHE 36 H PHE 36 9.603 -1.156 4.226
263 HA PHE 36 HA PHE 36 8.367 0.621 6.078
264 HB2 PHE 36 HB2 PHE 36 10.610 0.949 4.095
265 HB3 PHE 36 HB3 PHE 36 10.011 2.300 5.046
266 HD1 PHE 36 HD2 PHE 36 10.914 -1.258 5.734
267 HD2 PHE 36 HD1 PHE 36 11.322 2.831 6.814
268 HE1 PHE 36 HE2 PHE 36 12.398 -1.903 7.586
269 HE2 PHE 36 HE1 PHE 36 12.806 2.198 8.673
270 HZ PHE 36 HZ PHE 36 13.346 -0.172 9.059
271 H ILE 37 H ILE 37 6.214 0.643 5.166
272 HA ILE 37 HA ILE 37 5.956 2.587 2.988
273 HB ILE 37 HB ILE 37 4.040 1.290 2.082
274 HG12 ILE 37 HG12 ILE 37 5.006 -0.782 4.058
275 HG13 ILE 37 HG13 ILE 37 3.412 -0.071 3.957
276 HG21 ILE 37 HG21 ILE 37 5.466 -0.470 1.003
277 HG22 ILE 37 HG22 ILE 37 6.766 0.028 2.089
278 HG23 ILE 37 HG23 ILE 37 6.100 1.174 0.926
279 HD11 ILE 37 HD11 ILE 37 3.448 -2.360 3.118
280 HD12 ILE 37 HD12 ILE 37 4.632 -1.893 1.896
281 HD13 ILE 37 HD13 ILE 37 3.006 -1.212 1.855
282 H GLU 38 H GLU 38 4.062 3.829 3.024
283 HA GLU 38 HA GLU 38 2.718 3.824 5.639
284 HB2 GLU 38 HB2 GLU 38 3.583 6.052 3.844
285 HB3 GLU 38 HB3 GLU 38 2.240 6.294 4.957
286 HG2 GLU 38 HG2 GLU 38 3.779 5.525 6.794
287 HG3 GLU 38 HG3 GLU 38 5.089 5.624 5.617
288 H GLU 39 H GLU 39 0.679 3.287 5.643
289 HA GLU 39 HA GLU 39 -0.912 3.061 3.291
290 HB2 GLU 39 HB2 GLU 39 -1.060 1.675 5.428
291 HB3 GLU 39 HB3 GLU 39 -1.859 3.050 6.161
292 HG2 GLU 39 HG2 GLU 39 -2.896 1.749 3.671
293 HG3 GLU 39 HG3 GLU 39 -3.306 1.160 5.278
294 H LEU 40 H LEU 40 -1.781 4.714 2.275
295 HA LEU 40 HA LEU 40 -1.761 7.331 3.447
296 HB2 LEU 40 HB2 LEU 40 -2.782 6.390 0.779
297 HB3 LEU 40 HB3 LEU 40 -2.601 8.067 1.252
298 HG LEU 40 HG LEU 40 -0.352 6.079 0.950
299 HD11 LEU 40 HD11 LEU 40 -1.214 6.621 -1.188
300 HD12 LEU 40 HD12 LEU 40 0.283 7.522 -0.955
301 HD13 LEU 40 HD13 LEU 40 -1.271 8.338 -0.791
302 HD21 LEU 40 HD21 LEU 40 1.102 8.047 1.214
303 HD22 LEU 40 HD22 LEU 40 0.160 7.713 2.664
304 HD23 LEU 40 HD23 LEU 40 -0.317 9.025 1.586
Start of MODEL 11
1 H1 GLY -1 H1 GLY -1 -13.862 -2.772 16.848
2 H2 GLY -1 H2 GLY -1 -13.375 -3.436 15.372
3 H3 GLY -1 H3 GLY -1 -14.571 -2.245 15.406
4 HA2 GLY -1 HA3 GLY -1 -12.988 -0.622 16.213
5 HA3 GLY -1 HA2 GLY -1 -11.741 -1.861 16.196
6 H SER 0 H SER 0 -11.068 0.226 14.845
7 HA SER 0 HA SER 0 -10.545 1.187 12.878
8 HB2 SER 0 HB2 SER 0 -9.869 -0.367 11.065
9 HB3 SER 0 HB3 SER 0 -9.216 -0.821 12.637
10 HG SER 0 HG SER 0 -11.620 -1.994 12.185
11 H MET 1 H MET 1 -12.574 2.300 12.782
12 HA MET 1 HA MET 1 -14.670 1.249 11.099
13 HB2 MET 1 HB2 MET 1 -15.695 3.510 11.397
14 HB3 MET 1 HB3 MET 1 -15.362 2.670 12.902
15 HG2 MET 1 HG2 MET 1 -13.475 4.041 13.344
16 HG3 MET 1 HG3 MET 1 -13.532 4.746 11.729
17 HE1 MET 1 HE1 MET 1 -15.177 6.537 10.942
18 HE2 MET 1 HE2 MET 1 -16.592 7.081 11.844
19 HE3 MET 1 HE3 MET 1 -16.531 5.438 11.206
20 H ALA 2 H ALA 2 -12.453 1.127 9.634
21 HA ALA 2 HA ALA 2 -12.849 3.240 7.628
22 HB1 ALA 2 HB1 ALA 2 -10.737 3.653 8.819
23 HB2 ALA 2 HB2 ALA 2 -10.466 3.234 7.128
24 HB3 ALA 2 HB3 ALA 2 -10.188 2.033 8.388
25 H GLU 3 H GLU 3 -14.214 0.880 7.643
26 HA GLU 3 HA GLU 3 -12.817 -0.959 5.879
27 HB2 GLU 3 HB2 GLU 3 -15.504 -1.200 7.234
28 HB3 GLU 3 HB3 GLU 3 -14.760 -2.440 6.236
29 HG2 GLU 3 HG2 GLU 3 -12.878 -2.531 7.806
30 HG3 GLU 3 HG3 GLU 3 -13.717 -1.380 8.843
31 H ALA 4 H ALA 4 -14.207 1.800 5.303
32 HA ALA 4 HA ALA 4 -16.173 1.339 3.355
33 HB1 ALA 4 HB1 ALA 4 -15.632 3.548 2.502
34 HB2 ALA 4 HB2 ALA 4 -14.109 3.543 3.390
35 HB3 ALA 4 HB3 ALA 4 -15.641 3.569 4.264
36 H SER 5 H SER 5 -12.676 1.323 3.236
37 HA SER 5 HA SER 5 -12.799 0.064 0.587
38 HB2 SER 5 HB2 SER 5 -10.392 1.135 2.086
39 HB3 SER 5 HB3 SER 5 -10.410 0.534 0.428
40 HG SER 5 HG SER 5 -12.293 2.423 0.711
41 HA PRO 6 HA PRO 6 -12.804 -3.742 3.022
42 HB2 PRO 6 HB2 PRO 6 -12.134 -4.704 0.269
43 HB3 PRO 6 HB3 PRO 6 -13.290 -5.355 1.439
44 HG2 PRO 6 HG2 PRO 6 -14.148 -3.899 -0.601
45 HG3 PRO 6 HG3 PRO 6 -14.860 -3.693 1.012
46 HD2 PRO 6 HD2 PRO 6 -12.949 -1.938 -0.456
47 HD3 PRO 6 HD3 PRO 6 -14.245 -1.502 0.673
48 H HIS 7 H HIS 7 -10.256 -2.843 0.721
49 HA HIS 7 HA HIS 7 -8.310 -3.782 2.669
50 HB2 HIS 7 HB2 HIS 7 -6.987 -5.035 1.093
51 HB3 HIS 7 HB3 HIS 7 -8.615 -5.677 1.071
52 HD1 HIS 7 HD1 HIS 7 -6.212 -3.664 -1.015
53 HD2 HIS 7 HD2 HIS 7 -9.909 -5.538 -1.373
54 HE1 HIS 7 HE1 HIS 7 -6.739 -3.661 -3.473
55 HE2 HIS 7 HE2 HIS 7 -8.970 -4.814 -3.672
56 HA PRO 8 HA PRO 8 -6.321 0.071 1.531
57 HB2 PRO 8 HB2 PRO 8 -3.933 -1.425 2.492
58 HB3 PRO 8 HB3 PRO 8 -4.518 0.175 2.966
59 HG2 PRO 8 HG2 PRO 8 -4.822 -1.891 4.594
60 HG3 PRO 8 HG3 PRO 8 -6.135 -0.711 4.394
61 HD2 PRO 8 HD2 PRO 8 -5.845 -3.446 3.202
62 HD3 PRO 8 HD3 PRO 8 -7.284 -2.662 3.886
63 H GLY 9 H GLY 9 -4.676 0.780 0.012
64 HA2 GLY 9 HA2 GLY 9 -3.440 -1.260 -1.651
65 HA3 GLY 9 HA3 GLY 9 -4.673 -0.288 -2.438
66 H ARG 10 H ARG 10 -4.279 2.178 -1.570
67 HA ARG 10 HA ARG 10 -1.886 2.990 -2.878
68 HB2 ARG 10 HB2 ARG 10 -2.601 5.288 -2.076
69 HB3 ARG 10 HB3 ARG 10 -3.741 4.434 -3.108
70 HG2 ARG 10 HG2 ARG 10 -5.187 3.982 -1.346
71 HG3 ARG 10 HG3 ARG 10 -3.955 4.292 -0.126
72 HD2 ARG 10 HD2 ARG 10 -4.691 6.371 0.036
73 HD3 ARG 10 HD3 ARG 10 -4.220 6.652 -1.638
74 HE ARG 10 HE ARG 10 -6.521 5.743 -2.189
75 HH11 ARG 10 HH11 ARG 10 -5.824 7.363 0.837
76 HH12 ARG 10 HH12 ARG 10 -7.429 8.012 1.001
77 HH21 ARG 10 HH21 ARG 10 -8.648 6.559 -1.944
78 HH22 ARG 10 HH22 ARG 10 -9.037 7.537 -0.563
79 H TYR 11 H TYR 11 0.002 2.594 -1.933
80 HA TYR 11 HA TYR 11 0.371 3.567 0.823
81 HB2 TYR 11 HB2 TYR 11 1.449 1.128 -0.533
82 HB3 TYR 11 HB3 TYR 11 2.404 1.916 0.716
83 HD1 TYR 11 HD2 TYR 11 -1.079 0.676 0.164
84 HD2 TYR 11 HD1 TYR 11 2.149 1.214 2.875
85 HE1 TYR 11 HE2 TYR 11 -2.327 -0.533 1.891
86 HE2 TYR 11 HE1 TYR 11 0.917 0.007 4.609
87 HH TYR 11 HH TYR 11 -1.856 -1.828 3.945
88 H PHE 12 H PHE 12 2.595 4.247 1.285
89 HA PHE 12 HA PHE 12 4.030 5.175 -1.103
90 HB2 PHE 12 HB2 PHE 12 2.714 6.954 0.215
91 HB3 PHE 12 HB3 PHE 12 3.948 6.756 1.454
92 HD1 PHE 12 HD1 PHE 12 3.277 7.787 -1.984
93 HD2 PHE 12 HD2 PHE 12 6.136 7.641 1.156
94 HE1 PHE 12 HE1 PHE 12 4.711 9.361 -3.225
95 HE2 PHE 12 HE2 PHE 12 7.588 9.213 -0.077
96 HZ PHE 12 HZ PHE 12 6.865 10.080 -2.267
97 H CYS 13 H CYS 13 5.868 4.098 -1.165
98 HA CYS 13 HA CYS 13 6.937 2.820 1.167
99 HB2 CYS 13 HB2 CYS 13 7.150 1.656 -0.917
100 HB3 CYS 13 HB3 CYS 13 7.930 3.037 -1.672
101 H HIS 14 H HIS 14 8.457 3.524 2.504
102 HA HIS 14 HA HIS 14 9.472 6.205 2.189
103 HB2 HIS 14 HB2 HIS 14 9.453 4.156 4.345
104 HB3 HIS 14 HB3 HIS 14 10.737 5.361 4.391
105 HD1 HIS 14 HD1 HIS 14 9.639 6.302 6.586
106 HD2 HIS 14 HD2 HIS 14 7.303 6.642 3.164
107 HE1 HIS 14 HE1 HIS 14 7.823 7.938 7.168
108 HE2 HIS 14 HE2 HIS 14 6.383 8.085 5.108
109 H CYS 15 H CYS 15 10.526 3.089 1.379
110 HA CYS 15 HA CYS 15 13.351 3.725 1.413
111 HB2 CYS 15 HB2 CYS 15 12.477 1.432 1.877
112 HB3 CYS 15 HB3 CYS 15 11.926 1.339 0.213
113 HG CYS 15 HG CYS 15 14.413 -0.097 0.910
114 H CYS 16 H CYS 16 10.764 3.322 -0.948
115 HA CYS 16 HA CYS 16 12.554 4.036 -3.143
116 HB2 CYS 16 HB2 CYS 16 9.626 3.285 -3.156
117 HB3 CYS 16 HB3 CYS 16 10.585 3.616 -4.585
118 H SER 17 H SER 17 10.477 5.518 -0.987
119 HA SER 17 HA SER 17 9.267 7.403 -0.832
120 HB2 SER 17 HB2 SER 17 10.361 9.471 -1.700
121 HB3 SER 17 HB3 SER 17 11.409 8.454 -0.718
122 HG SER 17 HG SER 17 11.571 7.798 -3.352
123 H VAL 18 H VAL 18 8.205 5.729 -2.671
124 HA VAL 18 HA VAL 18 6.906 7.622 -4.484
125 HB VAL 18 HB VAL 18 6.831 6.008 -6.308
126 HG11 VAL 18 HG11 VAL 18 9.150 6.089 -7.026
127 HG12 VAL 18 HG12 VAL 18 9.663 6.440 -5.375
128 HG13 VAL 18 HG13 VAL 18 8.681 7.609 -6.262
129 HG21 VAL 18 HG21 VAL 18 8.570 4.292 -4.552
130 HG22 VAL 18 HG22 VAL 18 8.201 3.967 -6.244
131 HG23 VAL 18 HG23 VAL 18 6.912 3.953 -5.041
132 H GLU 19 H GLU 19 4.867 6.736 -5.338
133 HA GLU 19 HA GLU 19 3.392 5.548 -3.136
134 HB2 GLU 19 HB2 GLU 19 2.646 7.576 -4.510
135 HB3 GLU 19 HB3 GLU 19 2.278 6.435 -5.794
136 HG2 GLU 19 HG2 GLU 19 1.005 5.302 -3.699
137 HG3 GLU 19 HG3 GLU 19 0.861 7.009 -3.300
138 H ILE 20 H ILE 20 2.732 3.477 -3.082
139 HA ILE 20 HA ILE 20 3.075 1.835 -5.514
140 HB ILE 20 HB ILE 20 3.962 0.007 -4.061
141 HG12 ILE 20 HG12 ILE 20 4.866 1.805 -1.957
142 HG13 ILE 20 HG13 ILE 20 3.117 1.631 -1.987
143 HG21 ILE 20 HG21 ILE 20 5.578 2.545 -4.175
144 HG22 ILE 20 HG22 ILE 20 5.509 1.266 -5.390
145 HG23 ILE 20 HG23 ILE 20 6.235 0.948 -3.815
146 HD11 ILE 20 HD11 ILE 20 3.418 -0.819 -1.904
147 HD12 ILE 20 HD12 ILE 20 4.054 0.023 -0.492
148 HD13 ILE 20 HD13 ILE 20 5.155 -0.562 -1.739
149 H VAL 21 H VAL 21 2.048 -0.265 -5.373
150 HA VAL 21 HA VAL 21 -0.115 -0.443 -3.386
151 HB VAL 21 HB VAL 21 -1.180 -0.295 -5.502
152 HG11 VAL 21 HG11 VAL 21 0.743 -2.378 -6.518
153 HG12 VAL 21 HG12 VAL 21 0.766 -0.659 -6.909
154 HG13 VAL 21 HG13 VAL 21 -0.587 -1.666 -7.431
155 HG21 VAL 21 HG21 VAL 21 -0.973 -3.216 -4.779
156 HG22 VAL 21 HG22 VAL 21 -2.229 -2.496 -5.786
157 HG23 VAL 21 HG23 VAL 21 -2.095 -2.044 -4.086
158 HA PRO 22 HA PRO 22 2.922 -3.381 -1.969
159 HB2 PRO 22 HB2 PRO 22 0.958 -3.947 0.142
160 HB3 PRO 22 HB3 PRO 22 2.598 -3.316 0.274
161 HG2 PRO 22 HG2 PRO 22 0.465 -1.776 0.716
162 HG3 PRO 22 HG3 PRO 22 1.928 -1.138 -0.056
163 HD2 PRO 22 HD2 PRO 22 -0.661 -1.973 -1.299
164 HD3 PRO 22 HD3 PRO 22 0.358 -0.563 -1.655
165 H ARG 23 H ARG 23 3.221 -5.577 -1.684
166 HA ARG 23 HA ARG 23 1.227 -7.402 -2.674
167 HB2 ARG 23 HB2 ARG 23 3.815 -7.925 -1.183
168 HB3 ARG 23 HB3 ARG 23 2.840 -9.145 -1.977
169 HG2 ARG 23 HG2 ARG 23 3.283 -8.076 -4.141
170 HG3 ARG 23 HG3 ARG 23 4.293 -6.879 -3.326
171 HD2 ARG 23 HD2 ARG 23 5.672 -8.772 -2.457
172 HD3 ARG 23 HD3 ARG 23 4.741 -9.849 -3.489
173 HE ARG 23 HE ARG 23 5.616 -8.063 -5.264
174 HH11 ARG 23 HH11 ARG 23 7.248 -9.845 -2.744
175 HH12 ARG 23 HH12 ARG 23 8.808 -9.787 -3.516
176 HH21 ARG 23 HH21 ARG 23 7.655 -8.010 -6.325
177 HH22 ARG 23 HH22 ARG 23 9.024 -8.770 -5.579
178 H LEU 24 H LEU 24 -0.547 -7.583 -1.423
179 HA LEU 24 HA LEU 24 -0.695 -6.626 1.169
180 HB2 LEU 24 HB2 LEU 24 -2.452 -7.628 -0.792
181 HB3 LEU 24 HB3 LEU 24 -2.832 -8.418 0.722
182 HG LEU 24 HG LEU 24 -4.128 -6.337 0.307
183 HD11 LEU 24 HD11 LEU 24 -2.319 -6.270 2.709
184 HD12 LEU 24 HD12 LEU 24 -3.815 -7.192 2.569
185 HD13 LEU 24 HD13 LEU 24 -3.860 -5.430 2.548
186 HD21 LEU 24 HD21 LEU 24 -2.279 -5.110 -0.798
187 HD22 LEU 24 HD22 LEU 24 -1.502 -4.941 0.777
188 HD23 LEU 24 HD23 LEU 24 -3.072 -4.193 0.481
189 HA PRO 25 HA PRO 25 -0.793 -11.357 2.669
190 HB2 PRO 25 HB2 PRO 25 1.308 -12.200 0.723
191 HB3 PRO 25 HB3 PRO 25 0.014 -13.153 1.455
192 HG2 PRO 25 HG2 PRO 25 -0.226 -12.351 -1.034
193 HG3 PRO 25 HG3 PRO 25 -1.614 -12.212 0.063
194 HD2 PRO 25 HD2 PRO 25 0.284 -10.091 -0.867
195 HD3 PRO 25 HD3 PRO 25 -1.473 -10.019 -0.659
196 H ASP 26 H ASP 26 2.081 -9.732 1.358
197 HA ASP 26 HA ASP 26 3.596 -10.508 3.755
198 HB2 ASP 26 HB2 ASP 26 4.476 -9.462 1.067
199 HB3 ASP 26 HB3 ASP 26 5.568 -9.572 2.442
200 H TYR 27 H TYR 27 2.012 -7.896 2.317
201 HA TYR 27 HA TYR 27 1.831 -5.688 2.693
202 HB2 TYR 27 HB2 TYR 27 2.392 -6.826 5.331
203 HB3 TYR 27 HB3 TYR 27 2.816 -5.124 5.195
204 HD1 TYR 27 HD2 TYR 27 0.639 -4.293 3.254
205 HD2 TYR 27 HD1 TYR 27 0.528 -6.695 6.769
206 HE1 TYR 27 HE2 TYR 27 -1.705 -3.664 3.605
207 HE2 TYR 27 HE1 TYR 27 -1.824 -6.069 7.124
208 HH TYR 27 HH TYR 27 -3.324 -4.108 6.475
209 H ILE 28 H ILE 28 4.106 -6.436 1.290
210 HA ILE 28 HA ILE 28 6.084 -4.502 2.290
211 HB ILE 28 HB ILE 28 7.744 -5.690 0.853
212 HG12 ILE 28 HG12 ILE 28 5.607 -7.829 0.741
213 HG13 ILE 28 HG13 ILE 28 6.113 -6.833 -0.617
214 HG21 ILE 28 HG21 ILE 28 6.487 -7.299 3.068
215 HG22 ILE 28 HG22 ILE 28 7.685 -6.019 3.253
216 HG23 ILE 28 HG23 ILE 28 8.118 -7.517 2.431
217 HD11 ILE 28 HD11 ILE 28 8.344 -7.799 -0.500
218 HD12 ILE 28 HD12 ILE 28 7.113 -9.045 -0.700
219 HD13 ILE 28 HD13 ILE 28 7.849 -8.780 0.880
220 H CYS 29 H CYS 29 7.596 -4.057 0.231
221 HA CYS 29 HA CYS 29 5.951 -2.437 -1.533
222 HB2 CYS 29 HB2 CYS 29 7.997 -1.587 -0.380
223 HB3 CYS 29 HB3 CYS 29 8.952 -2.761 -1.257
224 HA PRO 30 HA PRO 30 6.385 -5.483 -4.756
225 HB2 PRO 30 HB2 PRO 30 5.457 -4.072 -6.849
226 HB3 PRO 30 HB3 PRO 30 4.384 -4.597 -5.546
227 HG2 PRO 30 HG2 PRO 30 5.565 -1.907 -6.066
228 HG3 PRO 30 HG3 PRO 30 3.959 -2.325 -5.449
229 HD2 PRO 30 HD2 PRO 30 6.115 -1.510 -3.905
230 HD3 PRO 30 HD3 PRO 30 4.692 -2.384 -3.294
231 H ARG 31 H ARG 31 8.039 -2.566 -4.498
232 HA ARG 31 HA ARG 31 9.722 -3.027 -6.830
233 HB2 ARG 31 HB2 ARG 31 10.128 -0.748 -4.955
234 HB3 ARG 31 HB3 ARG 31 10.335 -0.810 -6.693
235 HG2 ARG 31 HG2 ARG 31 7.806 -1.000 -6.809
236 HG3 ARG 31 HG3 ARG 31 7.808 -0.544 -5.119
237 HD2 ARG 31 HD2 ARG 31 7.472 1.351 -6.688
238 HD3 ARG 31 HD3 ARG 31 8.832 1.538 -5.592
239 HE ARG 31 HE ARG 31 10.201 0.715 -7.582
240 HH11 ARG 31 HH11 ARG 31 7.259 2.593 -7.907
241 HH12 ARG 31 HH12 ARG 31 7.745 3.330 -9.395
242 HH21 ARG 31 HH21 ARG 31 10.845 1.693 -9.541
243 HH22 ARG 31 HH22 ARG 31 9.782 2.818 -10.325
244 H CYS 32 H CYS 32 10.191 -2.300 -3.327
245 HA CYS 32 HA CYS 32 12.869 -3.466 -3.648
246 HB2 CYS 32 HB2 CYS 32 13.642 -2.070 -1.834
247 HB3 CYS 32 HB3 CYS 32 12.843 -1.072 -3.040
248 H GLU 33 H GLU 33 9.896 -4.085 -2.276
249 HA GLU 33 HA GLU 33 9.098 -5.714 -0.904
250 HB2 GLU 33 HB2 GLU 33 11.802 -6.955 -1.433
251 HB3 GLU 33 HB3 GLU 33 10.376 -7.800 -0.848
252 HG2 GLU 33 HG2 GLU 33 9.216 -7.377 -2.910
253 HG3 GLU 33 HG3 GLU 33 10.547 -6.381 -3.493
254 H SER 34 H SER 34 10.250 -3.528 0.422
255 HA SER 34 HA SER 34 11.944 -4.573 2.528
256 HB2 SER 34 HB2 SER 34 12.709 -2.508 1.692
257 HB3 SER 34 HB3 SER 34 11.091 -1.808 1.706
258 HG SER 34 HG SER 34 12.922 -2.146 3.784
259 H GLY 35 H GLY 35 8.947 -2.629 2.433
260 HA2 GLY 35 HA2 GLY 35 7.079 -3.532 3.810
261 HA3 GLY 35 HA3 GLY 35 8.294 -3.772 5.052
262 H PHE 36 H PHE 36 9.636 -1.232 4.296
263 HA PHE 36 HA PHE 36 8.225 0.560 5.981
264 HB2 PHE 36 HB2 PHE 36 10.589 0.855 4.151
265 HB3 PHE 36 HB3 PHE 36 9.876 2.260 4.931
266 HD1 PHE 36 HD1 PHE 36 11.578 -0.955 5.543
267 HD2 PHE 36 HD2 PHE 36 10.218 2.716 7.196
268 HE1 PHE 36 HE1 PHE 36 12.880 -1.400 7.585
269 HE2 PHE 36 HE2 PHE 36 11.517 2.284 9.245
270 HZ PHE 36 HZ PHE 36 12.851 0.222 9.439
271 H ILE 37 H ILE 37 6.127 0.692 5.097
272 HA ILE 37 HA ILE 37 5.925 2.556 2.851
273 HB ILE 37 HB ILE 37 3.989 1.292 1.962
274 HG12 ILE 37 HG12 ILE 37 4.859 -0.731 4.023
275 HG13 ILE 37 HG13 ILE 37 3.280 -0.004 3.834
276 HG21 ILE 37 HG21 ILE 37 5.360 -0.532 0.927
277 HG22 ILE 37 HG22 ILE 37 6.667 -0.071 2.019
278 HG23 ILE 37 HG23 ILE 37 6.062 1.084 0.829
279 HD11 ILE 37 HD11 ILE 37 2.951 -1.219 1.755
280 HD12 ILE 37 HD12 ILE 37 3.294 -2.316 3.092
281 HD13 ILE 37 HD13 ILE 37 4.553 -1.938 1.914
282 H GLU 38 H GLU 38 4.006 3.795 2.826
283 HA GLU 38 HA GLU 38 2.710 3.918 5.461
284 HB2 GLU 38 HB2 GLU 38 3.373 6.094 3.504
285 HB3 GLU 38 HB3 GLU 38 2.340 6.335 4.910
286 HG2 GLU 38 HG2 GLU 38 5.236 5.530 4.891
287 HG3 GLU 38 HG3 GLU 38 4.552 7.057 5.427
288 H GLU 39 H GLU 39 0.650 3.413 5.516
289 HA GLU 39 HA GLU 39 -0.927 3.042 3.154
290 HB2 GLU 39 HB2 GLU 39 -1.012 1.752 5.373
291 HB3 GLU 39 HB3 GLU 39 -1.913 3.112 6.008
292 HG2 GLU 39 HG2 GLU 39 -2.805 1.630 3.563
293 HG3 GLU 39 HG3 GLU 39 -3.204 1.075 5.186
294 H LEU 40 H LEU 40 -1.549 4.793 2.049
295 HA LEU 40 HA LEU 40 -1.599 7.376 3.242
296 HB2 LEU 40 HB2 LEU 40 -2.419 6.468 0.498
297 HB3 LEU 40 HB3 LEU 40 -2.246 8.142 0.985
298 HG LEU 40 HG LEU 40 -0.027 6.098 0.870
299 HD11 LEU 40 HD11 LEU 40 0.818 7.454 -0.967
300 HD12 LEU 40 HD12 LEU 40 -0.620 8.470 -0.876
301 HD13 LEU 40 HD13 LEU 40 -0.765 6.771 -1.329
302 HD21 LEU 40 HD21 LEU 40 1.449 8.012 1.319
303 HD22 LEU 40 HD22 LEU 40 0.356 7.687 2.662
304 HD23 LEU 40 HD23 LEU 40 0.032 9.030 1.565
Start of MODEL 12
1 H1 GLY -1 H1 GLY -1 -26.246 -7.430 -1.667
2 H2 GLY -1 H2 GLY -1 -27.259 -8.536 -0.893
3 H3 GLY -1 H3 GLY -1 -27.536 -8.126 -2.509
4 HA2 GLY -1 HA3 GLY -1 -26.516 -10.291 -2.382
5 HA3 GLY -1 HA2 GLY -1 -25.439 -9.133 -3.149
6 H SER 0 H SER 0 -23.960 -10.983 -2.446
7 HA SER 0 HA SER 0 -22.681 -10.156 0.045
8 HB2 SER 0 HB2 SER 0 -24.130 -12.062 0.661
9 HB3 SER 0 HB3 SER 0 -23.362 -13.043 -0.584
10 HG SER 0 HG SER 0 -21.908 -11.825 1.525
11 H MET 1 H MET 1 -20.508 -10.146 -0.107
12 HA MET 1 HA MET 1 -18.438 -10.178 -1.038
13 HB2 MET 1 HB2 MET 1 -19.391 -12.889 -1.980
14 HB3 MET 1 HB3 MET 1 -17.722 -12.345 -2.037
15 HG2 MET 1 HG2 MET 1 -17.688 -12.150 0.388
16 HG3 MET 1 HG3 MET 1 -19.374 -12.658 0.459
17 HE1 MET 1 HE1 MET 1 -17.494 -15.742 1.949
18 HE2 MET 1 HE2 MET 1 -18.765 -14.546 2.202
19 HE3 MET 1 HE3 MET 1 -17.076 -14.041 2.157
20 H ALA 2 H ALA 2 -20.167 -8.684 -2.483
21 HA ALA 2 HA ALA 2 -19.834 -9.490 -5.286
22 HB1 ALA 2 HB1 ALA 2 -21.762 -7.509 -4.080
23 HB2 ALA 2 HB2 ALA 2 -22.146 -9.156 -4.584
24 HB3 ALA 2 HB3 ALA 2 -21.668 -7.955 -5.785
25 H GLU 3 H GLU 3 -18.894 -7.196 -2.917
26 HA GLU 3 HA GLU 3 -17.177 -5.932 -4.857
27 HB2 GLU 3 HB2 GLU 3 -19.331 -4.602 -4.810
28 HB3 GLU 3 HB3 GLU 3 -18.954 -4.201 -3.141
29 HG2 GLU 3 HG2 GLU 3 -18.281 -2.388 -4.534
30 HG3 GLU 3 HG3 GLU 3 -16.832 -3.183 -3.915
31 H ALA 4 H ALA 4 -18.322 -5.279 -1.561
32 HA ALA 4 HA ALA 4 -17.287 -5.104 0.434
33 HB1 ALA 4 HB1 ALA 4 -15.423 -6.564 0.941
34 HB2 ALA 4 HB2 ALA 4 -15.158 -6.860 -0.778
35 HB3 ALA 4 HB3 ALA 4 -16.635 -7.429 -0.003
36 H SER 5 H SER 5 -14.249 -5.366 -1.336
37 HA SER 5 HA SER 5 -12.412 -4.037 -1.370
38 HB2 SER 5 HB2 SER 5 -13.913 -2.846 -2.963
39 HB3 SER 5 HB3 SER 5 -14.461 -1.822 -1.638
40 HG SER 5 HG SER 5 -12.704 -0.994 -3.023
41 HA PRO 6 HA PRO 6 -12.818 -2.424 2.953
42 HB2 PRO 6 HB2 PRO 6 -12.469 -4.620 4.442
43 HB3 PRO 6 HB3 PRO 6 -14.023 -4.261 3.684
44 HG2 PRO 6 HG2 PRO 6 -12.062 -6.348 3.015
45 HG3 PRO 6 HG3 PRO 6 -13.780 -6.251 2.600
46 HD2 PRO 6 HD2 PRO 6 -11.462 -5.509 0.994
47 HD3 PRO 6 HD3 PRO 6 -13.166 -5.627 0.505
48 H HIS 7 H HIS 7 -10.342 -3.241 1.098
49 HA HIS 7 HA HIS 7 -8.401 -3.265 3.318
50 HB2 HIS 7 HB2 HIS 7 -6.924 -4.677 2.087
51 HB3 HIS 7 HB3 HIS 7 -8.504 -5.425 2.021
52 HD1 HIS 7 HD1 HIS 7 -5.993 -3.632 -0.123
53 HD2 HIS 7 HD2 HIS 7 -9.576 -5.707 -0.535
54 HE1 HIS 7 HE1 HIS 7 -6.251 -4.059 -2.586
55 HE2 HIS 7 HE2 HIS 7 -8.502 -5.157 -2.826
56 HA PRO 8 HA PRO 8 -6.667 0.363 1.471
57 HB2 PRO 8 HB2 PRO 8 -4.150 0.215 2.482
58 HB3 PRO 8 HB3 PRO 8 -5.543 0.729 3.433
59 HG2 PRO 8 HG2 PRO 8 -4.110 -1.871 3.406
60 HG3 PRO 8 HG3 PRO 8 -4.888 -1.028 4.753
61 HD2 PRO 8 HD2 PRO 8 -5.961 -3.159 3.390
62 HD3 PRO 8 HD3 PRO 8 -6.899 -1.985 4.324
63 H GLY 9 H GLY 9 -4.885 1.044 0.009
64 HA2 GLY 9 HA2 GLY 9 -3.563 -1.144 -1.397
65 HA3 GLY 9 HA3 GLY 9 -4.732 -0.209 -2.315
66 H ARG 10 H ARG 10 -4.305 2.317 -1.571
67 HA ARG 10 HA ARG 10 -1.863 2.976 -2.863
68 HB2 ARG 10 HB2 ARG 10 -2.459 5.336 -2.193
69 HB3 ARG 10 HB3 ARG 10 -3.663 4.498 -3.161
70 HG2 ARG 10 HG2 ARG 10 -5.139 4.308 -1.410
71 HG3 ARG 10 HG3 ARG 10 -3.877 4.459 -0.188
72 HD2 ARG 10 HD2 ARG 10 -4.503 6.585 0.001
73 HD3 ARG 10 HD3 ARG 10 -3.743 6.837 -1.567
74 HE ARG 10 HE ARG 10 -6.052 6.270 -2.477
75 HH11 ARG 10 HH11 ARG 10 -5.538 7.759 0.657
76 HH12 ARG 10 HH12 ARG 10 -7.028 8.660 0.605
77 HH21 ARG 10 HH21 ARG 10 -8.017 7.449 -2.532
78 HH22 ARG 10 HH22 ARG 10 -8.428 8.486 -1.205
79 H TYR 11 H TYR 11 0.007 2.572 -1.913
80 HA TYR 11 HA TYR 11 0.392 3.554 0.837
81 HB2 TYR 11 HB2 TYR 11 1.386 1.074 -0.500
82 HB3 TYR 11 HB3 TYR 11 2.386 1.844 0.722
83 HD1 TYR 11 HD1 TYR 11 -1.106 0.611 0.217
84 HD2 TYR 11 HD2 TYR 11 2.101 1.295 2.924
85 HE1 TYR 11 HE1 TYR 11 -2.368 -0.518 2.001
86 HE2 TYR 11 HE2 TYR 11 0.862 0.173 4.705
87 HH TYR 11 HH TYR 11 -1.429 -0.397 5.289
88 H PHE 12 H PHE 12 2.645 4.165 1.305
89 HA PHE 12 HA PHE 12 4.091 5.080 -1.081
90 HB2 PHE 12 HB2 PHE 12 2.755 6.871 0.207
91 HB3 PHE 12 HB3 PHE 12 3.990 6.698 1.451
92 HD1 PHE 12 HD1 PHE 12 3.300 7.693 -1.990
93 HD2 PHE 12 HD2 PHE 12 6.189 7.572 1.129
94 HE1 PHE 12 HE1 PHE 12 4.726 9.255 -3.255
95 HE2 PHE 12 HE2 PHE 12 7.632 9.131 -0.133
96 HZ PHE 12 HZ PHE 12 6.892 9.975 -2.326
97 H CYS 13 H CYS 13 5.946 4.025 -1.119
98 HA CYS 13 HA CYS 13 7.013 2.778 1.233
99 HB2 CYS 13 HB2 CYS 13 7.236 1.582 -0.823
100 HB3 CYS 13 HB3 CYS 13 7.988 2.957 -1.612
101 H HIS 14 H HIS 14 8.622 3.424 2.510
102 HA HIS 14 HA HIS 14 9.530 6.146 2.269
103 HB2 HIS 14 HB2 HIS 14 9.637 4.026 4.340
104 HB3 HIS 14 HB3 HIS 14 10.906 5.247 4.388
105 HD1 HIS 14 HD1 HIS 14 10.169 6.595 6.370
106 HD2 HIS 14 HD2 HIS 14 7.114 6.003 3.612
107 HE1 HIS 14 HE1 HIS 14 8.269 8.056 7.137
108 HE2 HIS 14 HE2 HIS 14 6.482 7.786 5.378
109 H CYS 15 H CYS 15 10.737 3.076 1.366
110 HA CYS 15 HA CYS 15 13.505 3.940 1.324
111 HB2 CYS 15 HB2 CYS 15 12.850 1.583 1.846
112 HB3 CYS 15 HB3 CYS 15 12.294 1.413 0.188
113 HG CYS 15 HG CYS 15 14.716 0.112 0.295
114 H CYS 16 H CYS 16 10.915 3.237 -0.967
115 HA CYS 16 HA CYS 16 12.578 3.976 -3.231
116 HB2 CYS 16 HB2 CYS 16 9.662 3.188 -3.101
117 HB3 CYS 16 HB3 CYS 16 10.554 3.494 -4.579
118 H SER 17 H SER 17 10.528 5.467 -1.039
119 HA SER 17 HA SER 17 9.308 7.349 -0.885
120 HB2 SER 17 HB2 SER 17 10.364 9.409 -1.804
121 HB3 SER 17 HB3 SER 17 11.458 8.410 -0.854
122 HG SER 17 HG SER 17 11.626 7.617 -3.386
123 H VAL 18 H VAL 18 8.197 5.646 -2.661
124 HA VAL 18 HA VAL 18 6.897 7.498 -4.517
125 HB VAL 18 HB VAL 18 6.805 5.827 -6.292
126 HG11 VAL 18 HG11 VAL 18 8.652 7.427 -6.322
127 HG12 VAL 18 HG12 VAL 18 9.125 5.878 -7.023
128 HG13 VAL 18 HG13 VAL 18 9.641 6.299 -5.389
129 HG21 VAL 18 HG21 VAL 18 6.891 3.815 -4.955
130 HG22 VAL 18 HG22 VAL 18 8.555 4.166 -4.494
131 HG23 VAL 18 HG23 VAL 18 8.167 3.787 -6.172
132 H GLU 19 H GLU 19 4.852 6.597 -5.343
133 HA GLU 19 HA GLU 19 3.371 5.416 -3.151
134 HB2 GLU 19 HB2 GLU 19 2.713 7.365 -4.855
135 HB3 GLU 19 HB3 GLU 19 2.096 6.008 -5.780
136 HG2 GLU 19 HG2 GLU 19 0.840 5.352 -3.710
137 HG3 GLU 19 HG3 GLU 19 1.307 6.899 -3.033
138 H ILE 20 H ILE 20 2.662 3.353 -3.090
139 HA ILE 20 HA ILE 20 3.103 1.648 -5.453
140 HB ILE 20 HB ILE 20 4.031 -0.116 -3.966
141 HG12 ILE 20 HG12 ILE 20 4.855 1.723 -1.871
142 HG13 ILE 20 HG13 ILE 20 3.110 1.518 -1.932
143 HG21 ILE 20 HG21 ILE 20 6.274 0.862 -3.725
144 HG22 ILE 20 HG22 ILE 20 5.594 2.456 -4.052
145 HG23 ILE 20 HG23 ILE 20 5.550 1.206 -5.296
146 HD11 ILE 20 HD11 ILE 20 3.463 -0.932 -1.818
147 HD12 ILE 20 HD12 ILE 20 4.022 -0.054 -0.395
148 HD13 ILE 20 HD13 ILE 20 5.186 -0.626 -1.593
149 H VAL 21 H VAL 21 2.138 -0.462 -5.248
150 HA VAL 21 HA VAL 21 -0.084 -0.621 -3.323
151 HB VAL 21 HB VAL 21 -1.035 -0.550 -5.517
152 HG11 VAL 21 HG11 VAL 21 0.991 -1.036 -6.790
153 HG12 VAL 21 HG12 VAL 21 -0.371 -2.015 -7.341
154 HG13 VAL 21 HG13 VAL 21 0.878 -2.734 -6.323
155 HG21 VAL 21 HG21 VAL 21 -0.906 -3.416 -4.590
156 HG22 VAL 21 HG22 VAL 21 -2.094 -2.759 -5.715
157 HG23 VAL 21 HG23 VAL 21 -2.048 -2.187 -4.047
158 HA PRO 22 HA PRO 22 2.937 -3.482 -1.709
159 HB2 PRO 22 HB2 PRO 22 0.846 -4.048 0.292
160 HB3 PRO 22 HB3 PRO 22 2.482 -3.441 0.518
161 HG2 PRO 22 HG2 PRO 22 0.366 -1.855 0.834
162 HG3 PRO 22 HG3 PRO 22 1.870 -1.253 0.113
163 HD2 PRO 22 HD2 PRO 22 -0.679 -2.070 -1.225
164 HD3 PRO 22 HD3 PRO 22 0.374 -0.679 -1.557
165 H ARG 23 H ARG 23 3.306 -5.649 -1.608
166 HA ARG 23 HA ARG 23 1.391 -7.462 -2.743
167 HB2 ARG 23 HB2 ARG 23 4.054 -7.930 -1.373
168 HB3 ARG 23 HB3 ARG 23 3.111 -9.188 -2.159
169 HG2 ARG 23 HG2 ARG 23 3.328 -8.058 -4.290
170 HG3 ARG 23 HG3 ARG 23 4.199 -6.734 -3.521
171 HD2 ARG 23 HD2 ARG 23 5.962 -8.335 -2.867
172 HD3 ARG 23 HD3 ARG 23 5.102 -9.600 -3.743
173 HE ARG 23 HE ARG 23 5.437 -7.584 -5.568
174 HH11 ARG 23 HH11 ARG 23 7.555 -9.566 -3.608
175 HH12 ARG 23 HH12 ARG 23 8.894 -9.439 -4.702
176 HH21 ARG 23 HH21 ARG 23 7.205 -7.416 -7.010
177 HH22 ARG 23 HH22 ARG 23 8.703 -8.202 -6.626
178 H LEU 24 H LEU 24 -0.366 -7.892 -1.563
179 HA LEU 24 HA LEU 24 -0.668 -6.968 0.998
180 HB2 LEU 24 HB2 LEU 24 -2.260 -8.220 -0.988
181 HB3 LEU 24 HB3 LEU 24 -2.658 -8.881 0.578
182 HG LEU 24 HG LEU 24 -4.031 -6.907 -0.112
183 HD11 LEU 24 HD11 LEU 24 -3.875 -7.564 2.214
184 HD12 LEU 24 HD12 LEU 24 -3.919 -5.806 2.072
185 HD13 LEU 24 HD13 LEU 24 -2.392 -6.628 2.395
186 HD21 LEU 24 HD21 LEU 24 -1.501 -5.359 0.428
187 HD22 LEU 24 HD22 LEU 24 -3.078 -4.706 -0.021
188 HD23 LEU 24 HD23 LEU 24 -2.164 -5.671 -1.178
189 HA PRO 25 HA PRO 25 -0.624 -11.614 2.664
190 HB2 PRO 25 HB2 PRO 25 1.569 -12.526 0.860
191 HB3 PRO 25 HB3 PRO 25 0.239 -13.454 1.561
192 HG2 PRO 25 HG2 PRO 25 0.140 -12.755 -0.977
193 HG3 PRO 25 HG3 PRO 25 -1.310 -12.589 0.035
194 HD2 PRO 25 HD2 PRO 25 0.615 -10.482 -0.872
195 HD3 PRO 25 HD3 PRO 25 -1.151 -10.426 -0.770
196 H ASP 26 H ASP 26 2.142 -9.819 1.453
197 HA ASP 26 HA ASP 26 3.621 -10.449 3.923
198 HB2 ASP 26 HB2 ASP 26 4.603 -9.535 1.218
199 HB3 ASP 26 HB3 ASP 26 5.636 -9.645 2.637
200 H TYR 27 H TYR 27 1.957 -8.046 2.276
201 HA TYR 27 HA TYR 27 1.737 -5.808 2.379
202 HB2 TYR 27 HB2 TYR 27 2.045 -6.726 5.121
203 HB3 TYR 27 HB3 TYR 27 2.531 -5.046 4.919
204 HD1 TYR 27 HD2 TYR 27 0.610 -4.211 2.780
205 HD2 TYR 27 HD1 TYR 27 0.029 -6.546 6.291
206 HE1 TYR 27 HE2 TYR 27 -1.738 -3.501 2.856
207 HE2 TYR 27 HE1 TYR 27 -2.326 -5.842 6.371
208 HH TYR 27 HH TYR 27 -3.679 -3.849 5.529
209 H ILE 28 H ILE 28 4.193 -6.651 1.298
210 HA ILE 28 HA ILE 28 6.041 -4.612 2.321
211 HB ILE 28 HB ILE 28 7.780 -5.788 0.950
212 HG12 ILE 28 HG12 ILE 28 5.694 -7.974 0.810
213 HG13 ILE 28 HG13 ILE 28 6.196 -6.983 -0.549
214 HG21 ILE 28 HG21 ILE 28 8.096 -7.607 2.569
215 HG22 ILE 28 HG22 ILE 28 6.453 -7.348 3.159
216 HG23 ILE 28 HG23 ILE 28 7.667 -6.081 3.341
217 HD11 ILE 28 HD11 ILE 28 8.470 -7.877 -0.339
218 HD12 ILE 28 HD12 ILE 28 7.273 -9.140 -0.624
219 HD13 ILE 28 HD13 ILE 28 7.926 -8.896 0.995
220 H CYS 29 H CYS 29 7.640 -4.150 0.324
221 HA CYS 29 HA CYS 29 6.036 -2.543 -1.481
222 HB2 CYS 29 HB2 CYS 29 8.019 -1.646 -0.274
223 HB3 CYS 29 HB3 CYS 29 9.030 -2.800 -1.113
224 HA PRO 30 HA PRO 30 6.658 -5.531 -4.732
225 HB2 PRO 30 HB2 PRO 30 5.665 -4.141 -6.798
226 HB3 PRO 30 HB3 PRO 30 4.613 -4.714 -5.498
227 HG2 PRO 30 HG2 PRO 30 5.718 -1.984 -5.978
228 HG3 PRO 30 HG3 PRO 30 4.108 -2.452 -5.409
229 HD2 PRO 30 HD2 PRO 30 6.190 -1.594 -3.795
230 HD3 PRO 30 HD3 PRO 30 4.794 -2.546 -3.233
231 H ARG 31 H ARG 31 8.215 -2.603 -4.340
232 HA ARG 31 HA ARG 31 9.833 -2.869 -6.748
233 HB2 ARG 31 HB2 ARG 31 9.913 -0.542 -4.866
234 HB3 ARG 31 HB3 ARG 31 10.281 -0.586 -6.579
235 HG2 ARG 31 HG2 ARG 31 7.753 -1.212 -6.783
236 HG3 ARG 31 HG3 ARG 31 7.653 -0.465 -5.204
237 HD2 ARG 31 HD2 ARG 31 8.478 1.582 -6.026
238 HD3 ARG 31 HD3 ARG 31 8.898 0.880 -7.582
239 HE ARG 31 HE ARG 31 6.115 0.624 -7.038
240 HH11 ARG 31 HH11 ARG 31 8.545 2.913 -8.076
241 HH12 ARG 31 HH12 ARG 31 7.434 3.866 -9.006
242 HH21 ARG 31 HH21 ARG 31 4.642 1.893 -8.243
243 HH22 ARG 31 HH22 ARG 31 5.211 3.299 -9.086
244 H CYS 32 H CYS 32 10.153 -2.605 -3.188
245 HA CYS 32 HA CYS 32 12.924 -3.513 -3.576
246 HB2 CYS 32 HB2 CYS 32 13.724 -2.112 -1.781
247 HB3 CYS 32 HB3 CYS 32 12.906 -1.121 -2.983
248 H GLU 33 H GLU 33 9.985 -4.159 -2.126
249 HA GLU 33 HA GLU 33 9.240 -5.749 -0.685
250 HB2 GLU 33 HB2 GLU 33 11.926 -6.970 -1.315
251 HB3 GLU 33 HB3 GLU 33 10.604 -7.806 -0.520
252 HG2 GLU 33 HG2 GLU 33 9.220 -7.542 -2.496
253 HG3 GLU 33 HG3 GLU 33 10.515 -6.652 -3.294
254 H SER 34 H SER 34 10.222 -3.557 0.589
255 HA SER 34 HA SER 34 12.045 -4.453 2.673
256 HB2 SER 34 HB2 SER 34 12.652 -2.363 1.685
257 HB3 SER 34 HB3 SER 34 11.017 -1.732 1.862
258 HG SER 34 HG SER 34 12.862 -2.333 3.945
259 H GLY 35 H GLY 35 8.958 -2.673 2.509
260 HA2 GLY 35 HA2 GLY 35 7.110 -3.579 3.880
261 HA3 GLY 35 HA3 GLY 35 8.311 -3.788 5.143
262 H PHE 36 H PHE 36 9.622 -1.255 4.424
263 HA PHE 36 HA PHE 36 8.193 0.528 6.087
264 HB2 PHE 36 HB2 PHE 36 10.594 0.778 4.308
265 HB3 PHE 36 HB3 PHE 36 9.890 2.209 5.051
266 HD1 PHE 36 HD2 PHE 36 11.472 -1.051 5.762
267 HD2 PHE 36 HD1 PHE 36 10.218 2.706 7.297
268 HE1 PHE 36 HE2 PHE 36 12.707 -1.501 7.843
269 HE2 PHE 36 HE1 PHE 36 11.446 2.269 9.388
270 HZ PHE 36 HZ PHE 36 12.692 0.162 9.663
271 H ILE 37 H ILE 37 6.115 0.668 5.162
272 HA ILE 37 HA ILE 37 5.957 2.563 2.936
273 HB ILE 37 HB ILE 37 3.993 1.353 2.037
274 HG12 ILE 37 HG12 ILE 37 4.780 -0.695 4.109
275 HG13 ILE 37 HG13 ILE 37 3.226 0.078 3.898
276 HG21 ILE 37 HG21 ILE 37 6.069 1.082 0.918
277 HG22 ILE 37 HG22 ILE 37 5.309 -0.510 1.007
278 HG23 ILE 37 HG23 ILE 37 6.625 -0.098 2.106
279 HD11 ILE 37 HD11 ILE 37 2.870 -1.132 1.832
280 HD12 ILE 37 HD12 ILE 37 3.202 -2.246 3.158
281 HD13 ILE 37 HD13 ILE 37 4.460 -1.879 1.976
282 H GLU 38 H GLU 38 4.068 3.844 2.917
283 HA GLU 38 HA GLU 38 2.716 3.947 5.524
284 HB2 GLU 38 HB2 GLU 38 3.505 6.118 3.614
285 HB3 GLU 38 HB3 GLU 38 2.262 6.377 4.830
286 HG2 GLU 38 HG2 GLU 38 4.017 5.574 6.509
287 HG3 GLU 38 HG3 GLU 38 5.178 5.838 5.208
288 H GLU 39 H GLU 39 0.624 3.626 5.586
289 HA GLU 39 HA GLU 39 -0.892 3.247 3.173
290 HB2 GLU 39 HB2 GLU 39 -1.098 1.925 5.354
291 HB3 GLU 39 HB3 GLU 39 -1.938 3.317 6.005
292 HG2 GLU 39 HG2 GLU 39 -2.867 1.996 3.488
293 HG3 GLU 39 HG3 GLU 39 -3.297 1.346 5.068
294 H LEU 40 H LEU 40 -1.713 4.881 2.092
295 HA LEU 40 HA LEU 40 -1.655 7.521 3.253
296 HB2 LEU 40 HB2 LEU 40 -2.374 6.603 0.479
297 HB3 LEU 40 HB3 LEU 40 -2.183 8.273 0.967
298 HG LEU 40 HG LEU 40 0.018 6.203 1.004
299 HD11 LEU 40 HD11 LEU 40 -0.479 8.466 -0.910
300 HD12 LEU 40 HD12 LEU 40 -0.673 6.748 -1.262
301 HD13 LEU 40 HD13 LEU 40 0.924 7.399 -0.898
302 HD21 LEU 40 HD21 LEU 40 0.350 7.904 2.687
303 HD22 LEU 40 HD22 LEU 40 0.046 9.173 1.501
304 HD23 LEU 40 HD23 LEU 40 1.476 8.152 1.354
Start of MODEL 13
1 H1 GLY -1 H1 GLY -1 -9.718 -6.842 -11.947
2 H2 GLY -1 H2 GLY -1 -9.129 -7.132 -10.392
3 H3 GLY -1 H3 GLY -1 -8.596 -5.784 -11.255
4 HA2 GLY -1 HA3 GLY -1 -10.810 -4.830 -11.201
5 HA3 GLY -1 HA2 GLY -1 -11.366 -6.237 -10.305
6 H SER 0 H SER 0 -12.021 -4.846 -8.585
7 HA SER 0 HA SER 0 -9.864 -3.519 -7.127
8 HB2 SER 0 HB2 SER 0 -11.840 -2.682 -5.717
9 HB3 SER 0 HB3 SER 0 -11.733 -2.091 -7.376
10 HG SER 0 HG SER 0 -13.623 -2.930 -7.689
11 H MET 1 H MET 1 -11.880 -6.293 -7.058
12 HA MET 1 HA MET 1 -11.873 -8.172 -5.795
13 HB2 MET 1 HB2 MET 1 -9.421 -7.945 -5.730
14 HB3 MET 1 HB3 MET 1 -9.557 -6.907 -4.319
15 HG2 MET 1 HG2 MET 1 -10.547 -8.766 -3.063
16 HG3 MET 1 HG3 MET 1 -10.361 -9.803 -4.477
17 HE1 MET 1 HE1 MET 1 -7.618 -11.228 -2.101
18 HE2 MET 1 HE2 MET 1 -9.037 -11.589 -3.082
19 HE3 MET 1 HE3 MET 1 -9.199 -10.610 -1.625
20 H ALA 2 H ALA 2 -11.009 -5.607 -3.487
21 HA ALA 2 HA ALA 2 -13.203 -6.504 -1.760
22 HB1 ALA 2 HB1 ALA 2 -10.983 -6.421 -0.731
23 HB2 ALA 2 HB2 ALA 2 -12.076 -5.257 0.018
24 HB3 ALA 2 HB3 ALA 2 -10.858 -4.708 -1.133
25 H GLU 3 H GLU 3 -13.978 -5.235 -3.972
26 HA GLU 3 HA GLU 3 -14.189 -2.531 -4.177
27 HB2 GLU 3 HB2 GLU 3 -15.092 -4.177 -5.776
28 HB3 GLU 3 HB3 GLU 3 -16.390 -4.543 -4.652
29 HG2 GLU 3 HG2 GLU 3 -17.225 -2.275 -4.859
30 HG3 GLU 3 HG3 GLU 3 -15.920 -1.891 -5.984
31 H ALA 4 H ALA 4 -16.453 -4.599 -2.357
32 HA ALA 4 HA ALA 4 -17.726 -2.215 -1.256
33 HB1 ALA 4 HB1 ALA 4 -19.125 -3.994 -2.202
34 HB2 ALA 4 HB2 ALA 4 -19.467 -3.721 -0.494
35 HB3 ALA 4 HB3 ALA 4 -18.507 -5.114 -0.990
36 H SER 5 H SER 5 -15.048 -2.937 -0.344
37 HA SER 5 HA SER 5 -15.618 -2.879 2.499
38 HB2 SER 5 HB2 SER 5 -13.807 -5.000 1.314
39 HB3 SER 5 HB3 SER 5 -14.038 -4.694 3.035
40 HG SER 5 HG SER 5 -16.436 -4.996 1.932
41 HA PRO 6 HA PRO 6 -12.358 0.209 2.143
42 HB2 PRO 6 HB2 PRO 6 -12.262 -0.352 5.072
43 HB3 PRO 6 HB3 PRO 6 -12.353 1.199 4.228
44 HG2 PRO 6 HG2 PRO 6 -14.498 0.185 5.433
45 HG3 PRO 6 HG3 PRO 6 -14.638 1.027 3.878
46 HD2 PRO 6 HD2 PRO 6 -14.741 -1.895 4.469
47 HD3 PRO 6 HD3 PRO 6 -15.630 -0.954 3.254
48 H HIS 7 H HIS 7 -10.303 -0.240 1.602
49 HA HIS 7 HA HIS 7 -8.868 -2.348 3.009
50 HB2 HIS 7 HB2 HIS 7 -8.273 -3.479 0.886
51 HB3 HIS 7 HB3 HIS 7 -9.987 -3.563 1.235
52 HD1 HIS 7 HD1 HIS 7 -11.591 -2.435 -0.399
53 HD2 HIS 7 HD2 HIS 7 -7.582 -1.827 -1.325
54 HE1 HIS 7 HE1 HIS 7 -11.567 -1.457 -2.713
55 HE2 HIS 7 HE2 HIS 7 -9.158 -0.878 -3.138
56 HA PRO 8 HA PRO 8 -5.463 0.405 2.140
57 HB2 PRO 8 HB2 PRO 8 -3.640 -1.770 2.742
58 HB3 PRO 8 HB3 PRO 8 -3.974 -0.319 3.687
59 HG2 PRO 8 HG2 PRO 8 -4.696 -2.824 4.470
60 HG3 PRO 8 HG3 PRO 8 -5.572 -1.360 4.951
61 HD2 PRO 8 HD2 PRO 8 -6.242 -3.366 2.835
62 HD3 PRO 8 HD3 PRO 8 -7.311 -2.518 3.972
63 H GLY 9 H GLY 9 -4.483 0.869 0.260
64 HA2 GLY 9 HA2 GLY 9 -3.389 -1.280 -1.371
65 HA3 GLY 9 HA3 GLY 9 -4.685 -0.341 -2.096
66 H ARG 10 H ARG 10 -4.196 2.159 -1.335
67 HA ARG 10 HA ARG 10 -1.848 2.867 -2.823
68 HB2 ARG 10 HB2 ARG 10 -2.548 5.214 -2.216
69 HB3 ARG 10 HB3 ARG 10 -3.743 4.278 -3.104
70 HG2 ARG 10 HG2 ARG 10 -5.115 4.032 -1.263
71 HG3 ARG 10 HG3 ARG 10 -3.816 4.367 -0.120
72 HD2 ARG 10 HD2 ARG 10 -4.635 6.434 -0.022
73 HD3 ARG 10 HD3 ARG 10 -3.956 6.661 -1.630
74 HE ARG 10 HE ARG 10 -6.198 5.883 -2.463
75 HH11 ARG 10 HH11 ARG 10 -5.833 7.410 0.670
76 HH12 ARG 10 HH12 ARG 10 -7.439 8.079 0.665
77 HH21 ARG 10 HH21 ARG 10 -8.309 6.739 -2.459
78 HH22 ARG 10 HH22 ARG 10 -8.849 7.693 -1.113
79 H TYR 11 H TYR 11 0.056 2.546 -1.877
80 HA TYR 11 HA TYR 11 0.424 3.616 0.843
81 HB2 TYR 11 HB2 TYR 11 1.465 1.116 -0.419
82 HB3 TYR 11 HB3 TYR 11 2.449 1.940 0.782
83 HD1 TYR 11 HD1 TYR 11 -1.035 0.658 0.320
84 HD2 TYR 11 HD2 TYR 11 2.186 1.408 2.993
85 HE1 TYR 11 HE1 TYR 11 -2.274 -0.457 2.128
86 HE2 TYR 11 HE2 TYR 11 0.971 0.294 4.799
87 HH TYR 11 HH TYR 11 -1.400 -0.241 5.383
88 H PHE 12 H PHE 12 2.648 4.290 1.298
89 HA PHE 12 HA PHE 12 4.093 5.161 -1.107
90 HB2 PHE 12 HB2 PHE 12 2.783 6.971 0.145
91 HB3 PHE 12 HB3 PHE 12 3.974 6.783 1.428
92 HD1 PHE 12 HD1 PHE 12 3.409 7.790 -2.027
93 HD2 PHE 12 HD2 PHE 12 6.195 7.626 1.177
94 HE1 PHE 12 HE1 PHE 12 4.897 9.323 -3.254
95 HE2 PHE 12 HE2 PHE 12 7.702 9.159 -0.044
96 HZ PHE 12 HZ PHE 12 7.044 10.013 -2.260
97 H CYS 13 H CYS 13 5.954 4.116 -1.148
98 HA CYS 13 HA CYS 13 7.041 2.898 1.217
99 HB2 CYS 13 HB2 CYS 13 7.209 1.685 -0.854
100 HB3 CYS 13 HB3 CYS 13 8.017 3.036 -1.636
101 H HIS 14 H HIS 14 8.694 3.556 2.446
102 HA HIS 14 HA HIS 14 9.736 6.230 2.060
103 HB2 HIS 14 HB2 HIS 14 9.802 4.199 4.241
104 HB3 HIS 14 HB3 HIS 14 11.099 5.392 4.199
105 HD1 HIS 14 HD1 HIS 14 10.550 7.127 5.874
106 HD2 HIS 14 HD2 HIS 14 7.197 5.917 3.730
107 HE1 HIS 14 HE1 HIS 14 8.673 8.609 6.653
108 HE2 HIS 14 HE2 HIS 14 6.657 7.889 5.320
109 H CYS 15 H CYS 15 10.721 2.985 1.526
110 HA CYS 15 HA CYS 15 13.531 3.470 1.348
111 HB2 CYS 15 HB2 CYS 15 11.932 1.188 0.170
112 HB3 CYS 15 HB3 CYS 15 13.642 1.175 0.574
113 HG CYS 15 HG CYS 15 13.074 -0.109 2.734
114 H CYS 16 H CYS 16 10.848 3.292 -0.935
115 HA CYS 16 HA CYS 16 12.642 3.896 -3.171
116 HB2 CYS 16 HB2 CYS 16 9.699 3.202 -3.152
117 HB3 CYS 16 HB3 CYS 16 10.664 3.475 -4.590
118 H SER 17 H SER 17 10.564 5.392 -1.008
119 HA SER 17 HA SER 17 9.346 7.275 -0.860
120 HB2 SER 17 HB2 SER 17 10.463 9.350 -1.711
121 HB3 SER 17 HB3 SER 17 11.471 8.336 -0.685
122 HG SER 17 HG SER 17 11.688 7.721 -3.349
123 H VAL 18 H VAL 18 8.227 5.660 -2.643
124 HA VAL 18 HA VAL 18 7.004 7.536 -4.524
125 HB VAL 18 HB VAL 18 6.910 5.865 -6.304
126 HG11 VAL 18 HG11 VAL 18 9.257 5.882 -6.990
127 HG12 VAL 18 HG12 VAL 18 9.727 6.360 -5.359
128 HG13 VAL 18 HG13 VAL 18 8.752 7.447 -6.351
129 HG21 VAL 18 HG21 VAL 18 8.246 3.816 -6.175
130 HG22 VAL 18 HG22 VAL 18 6.979 3.858 -4.950
131 HG23 VAL 18 HG23 VAL 18 8.649 4.197 -4.503
132 H GLU 19 H GLU 19 4.955 6.658 -5.390
133 HA GLU 19 HA GLU 19 3.414 5.510 -3.223
134 HB2 GLU 19 HB2 GLU 19 2.838 7.410 -5.043
135 HB3 GLU 19 HB3 GLU 19 2.179 6.014 -5.878
136 HG2 GLU 19 HG2 GLU 19 0.938 5.535 -3.724
137 HG3 GLU 19 HG3 GLU 19 1.396 7.157 -3.229
138 H ILE 20 H ILE 20 2.758 3.442 -3.106
139 HA ILE 20 HA ILE 20 3.150 1.689 -5.446
140 HB ILE 20 HB ILE 20 4.073 -0.058 -3.944
141 HG12 ILE 20 HG12 ILE 20 4.906 1.802 -1.865
142 HG13 ILE 20 HG13 ILE 20 3.164 1.592 -1.924
143 HG21 ILE 20 HG21 ILE 20 6.324 0.909 -3.704
144 HG22 ILE 20 HG22 ILE 20 5.654 2.498 -4.072
145 HG23 ILE 20 HG23 ILE 20 5.606 1.217 -5.284
146 HD11 ILE 20 HD11 ILE 20 3.503 -0.847 -1.776
147 HD12 ILE 20 HD12 ILE 20 4.103 0.037 -0.374
148 HD13 ILE 20 HD13 ILE 20 5.234 -0.560 -1.590
149 H VAL 21 H VAL 21 2.142 -0.395 -5.200
150 HA VAL 21 HA VAL 21 -0.006 -0.509 -3.196
151 HB VAL 21 HB VAL 21 -1.060 -0.487 -5.332
152 HG11 VAL 21 HG11 VAL 21 -0.441 -1.946 -7.179
153 HG12 VAL 21 HG12 VAL 21 0.864 -2.632 -6.212
154 HG13 VAL 21 HG13 VAL 21 0.922 -0.934 -6.690
155 HG21 VAL 21 HG21 VAL 21 -1.955 -2.158 -3.805
156 HG22 VAL 21 HG22 VAL 21 -0.829 -3.359 -4.437
157 HG23 VAL 21 HG23 VAL 21 -2.095 -2.705 -5.477
158 HA PRO 22 HA PRO 22 2.988 -3.382 -1.580
159 HB2 PRO 22 HB2 PRO 22 0.872 -4.012 0.375
160 HB3 PRO 22 HB3 PRO 22 2.492 -3.385 0.641
161 HG2 PRO 22 HG2 PRO 22 0.349 -1.841 0.951
162 HG3 PRO 22 HG3 PRO 22 1.857 -1.202 0.271
163 HD2 PRO 22 HD2 PRO 22 -0.652 -2.022 -1.134
164 HD3 PRO 22 HD3 PRO 22 0.391 -0.612 -1.417
165 H ARG 23 H ARG 23 3.379 -5.553 -1.592
166 HA ARG 23 HA ARG 23 1.475 -7.314 -2.801
167 HB2 ARG 23 HB2 ARG 23 4.100 -7.837 -1.386
168 HB3 ARG 23 HB3 ARG 23 3.144 -9.092 -2.154
169 HG2 ARG 23 HG2 ARG 23 3.397 -7.934 -4.313
170 HG3 ARG 23 HG3 ARG 23 4.406 -6.722 -3.522
171 HD2 ARG 23 HD2 ARG 23 6.015 -8.440 -2.920
172 HD3 ARG 23 HD3 ARG 23 4.998 -9.675 -3.655
173 HE ARG 23 HE ARG 23 5.579 -7.709 -5.579
174 HH11 ARG 23 HH11 ARG 23 7.159 -10.263 -3.786
175 HH12 ARG 23 HH12 ARG 23 8.348 -10.563 -5.011
176 HH21 ARG 23 HH21 ARG 23 7.153 -8.102 -7.199
177 HH22 ARG 23 HH22 ARG 23 8.353 -9.329 -6.950
178 H LEU 24 H LEU 24 -0.321 -7.681 -1.683
179 HA LEU 24 HA LEU 24 -0.675 -6.965 0.940
180 HB2 LEU 24 HB2 LEU 24 -2.242 -7.932 -1.184
181 HB3 LEU 24 HB3 LEU 24 -2.666 -8.847 0.244
182 HG LEU 24 HG LEU 24 -4.045 -6.792 -0.155
183 HD11 LEU 24 HD11 LEU 24 -4.037 -6.090 2.185
184 HD12 LEU 24 HD12 LEU 24 -2.490 -6.905 2.419
185 HD13 LEU 24 HD13 LEU 24 -3.932 -7.844 2.037
186 HD21 LEU 24 HD21 LEU 24 -3.130 -4.631 0.308
187 HD22 LEU 24 HD22 LEU 24 -2.133 -5.394 -0.932
188 HD23 LEU 24 HD23 LEU 24 -1.568 -5.329 0.738
189 HA PRO 25 HA PRO 25 -0.612 -11.785 2.153
190 HB2 PRO 25 HB2 PRO 25 1.725 -12.345 0.382
191 HB3 PRO 25 HB3 PRO 25 0.454 -13.442 0.934
192 HG2 PRO 25 HG2 PRO 25 0.374 -12.505 -1.521
193 HG3 PRO 25 HG3 PRO 25 -1.115 -12.543 -0.554
194 HD2 PRO 25 HD2 PRO 25 0.668 -10.225 -1.195
195 HD3 PRO 25 HD3 PRO 25 -1.100 -10.300 -1.129
196 H ASP 26 H ASP 26 2.092 -9.673 1.356
197 HA ASP 26 HA ASP 26 3.368 -10.452 3.900
198 HB2 ASP 26 HB2 ASP 26 4.596 -9.686 1.266
199 HB3 ASP 26 HB3 ASP 26 5.509 -9.597 2.768
200 H TYR 27 H TYR 27 1.926 -7.960 2.177
201 HA TYR 27 HA TYR 27 1.671 -5.733 2.433
202 HB2 TYR 27 HB2 TYR 27 2.204 -6.679 5.190
203 HB3 TYR 27 HB3 TYR 27 2.333 -4.946 4.912
204 HD1 TYR 27 HD1 TYR 27 0.258 -4.111 3.284
205 HD2 TYR 27 HD2 TYR 27 0.180 -7.330 6.067
206 HE1 TYR 27 HE1 TYR 27 -2.175 -3.861 3.492
207 HE2 TYR 27 HE2 TYR 27 -2.258 -7.095 6.275
208 HH TYR 27 HH TYR 27 -3.964 -5.305 5.959
209 H ILE 28 H ILE 28 4.160 -6.601 1.356
210 HA ILE 28 HA ILE 28 5.994 -4.564 2.415
211 HB ILE 28 HB ILE 28 7.740 -5.750 1.017
212 HG12 ILE 28 HG12 ILE 28 5.639 -7.931 0.984
213 HG13 ILE 28 HG13 ILE 28 6.145 -6.996 -0.416
214 HG21 ILE 28 HG21 ILE 28 6.475 -7.278 3.288
215 HG22 ILE 28 HG22 ILE 28 7.641 -5.963 3.434
216 HG23 ILE 28 HG23 ILE 28 8.122 -7.488 2.691
217 HD11 ILE 28 HD11 ILE 28 7.890 -8.842 1.194
218 HD12 ILE 28 HD12 ILE 28 8.393 -7.916 -0.220
219 HD13 ILE 28 HD13 ILE 28 7.183 -9.188 -0.384
220 H CYS 29 H CYS 29 7.620 -4.117 0.392
221 HA CYS 29 HA CYS 29 5.999 -2.504 -1.397
222 HB2 CYS 29 HB2 CYS 29 8.034 -1.642 -0.221
223 HB3 CYS 29 HB3 CYS 29 8.998 -2.792 -1.122
224 HA PRO 30 HA PRO 30 6.638 -5.476 -4.671
225 HB2 PRO 30 HB2 PRO 30 5.580 -4.124 -6.719
226 HB3 PRO 30 HB3 PRO 30 4.560 -4.685 -5.387
227 HG2 PRO 30 HG2 PRO 30 5.634 -1.953 -5.935
228 HG3 PRO 30 HG3 PRO 30 4.045 -2.422 -5.312
229 HD2 PRO 30 HD2 PRO 30 6.188 -1.538 -3.784
230 HD3 PRO 30 HD3 PRO 30 4.787 -2.442 -3.161
231 H ARG 31 H ARG 31 8.172 -2.526 -4.287
232 HA ARG 31 HA ARG 31 9.777 -2.807 -6.704
233 HB2 ARG 31 HB2 ARG 31 9.825 -0.473 -4.824
234 HB3 ARG 31 HB3 ARG 31 10.261 -0.521 -6.520
235 HG2 ARG 31 HG2 ARG 31 7.730 -1.158 -6.800
236 HG3 ARG 31 HG3 ARG 31 7.588 -0.370 -5.245
237 HD2 ARG 31 HD2 ARG 31 8.493 1.643 -6.103
238 HD3 ARG 31 HD3 ARG 31 8.874 0.898 -7.648
239 HE ARG 31 HE ARG 31 6.098 0.697 -7.082
240 HH11 ARG 31 HH11 ARG 31 8.535 2.970 -8.161
241 HH12 ARG 31 HH12 ARG 31 7.403 3.965 -9.022
242 HH21 ARG 31 HH21 ARG 31 4.612 2.012 -8.204
243 HH22 ARG 31 HH22 ARG 31 5.172 3.426 -9.039
244 H CYS 32 H CYS 32 10.055 -2.675 -3.164
245 HA CYS 32 HA CYS 32 12.826 -3.569 -3.520
246 HB2 CYS 32 HB2 CYS 32 13.624 -2.184 -1.714
247 HB3 CYS 32 HB3 CYS 32 12.845 -1.182 -2.928
248 H GLU 33 H GLU 33 9.869 -4.216 -2.137
249 HA GLU 33 HA GLU 33 9.098 -5.800 -0.701
250 HB2 GLU 33 HB2 GLU 33 11.806 -7.017 -1.257
251 HB3 GLU 33 HB3 GLU 33 10.426 -7.866 -0.578
252 HG2 GLU 33 HG2 GLU 33 9.204 -7.692 -2.586
253 HG3 GLU 33 HG3 GLU 33 10.333 -6.517 -3.254
254 H SER 34 H SER 34 10.259 -3.560 0.543
255 HA SER 34 HA SER 34 11.888 -4.594 2.717
256 HB2 SER 34 HB2 SER 34 12.853 -2.647 1.857
257 HB3 SER 34 HB3 SER 34 11.306 -1.813 1.706
258 HG SER 34 HG SER 34 12.875 -2.296 4.000
259 H GLY 35 H GLY 35 9.017 -2.473 2.449
260 HA2 GLY 35 HA2 GLY 35 7.023 -3.258 3.681
261 HA3 GLY 35 HA3 GLY 35 8.126 -3.637 4.989
262 H PHE 36 H PHE 36 9.623 -1.092 4.263
263 HA PHE 36 HA PHE 36 8.283 0.694 6.013
264 HB2 PHE 36 HB2 PHE 36 10.644 0.931 4.186
265 HB3 PHE 36 HB3 PHE 36 9.968 2.369 4.939
266 HD1 PHE 36 HD1 PHE 36 11.592 -0.868 5.593
267 HD2 PHE 36 HD2 PHE 36 10.265 2.831 7.212
268 HE1 PHE 36 HE1 PHE 36 12.843 -1.335 7.660
269 HE2 PHE 36 HE2 PHE 36 11.517 2.378 9.285
270 HZ PHE 36 HZ PHE 36 12.806 0.290 9.508
271 H ILE 37 H ILE 37 6.192 0.829 5.137
272 HA ILE 37 HA ILE 37 5.955 2.713 2.913
273 HB ILE 37 HB ILE 37 4.028 1.440 2.030
274 HG12 ILE 37 HG12 ILE 37 4.882 -0.580 4.102
275 HG13 ILE 37 HG13 ILE 37 3.310 0.159 3.911
276 HG21 ILE 37 HG21 ILE 37 5.412 -0.419 1.037
277 HG22 ILE 37 HG22 ILE 37 6.717 0.105 2.103
278 HG23 ILE 37 HG23 ILE 37 6.076 1.208 0.886
279 HD11 ILE 37 HD11 ILE 37 3.338 -2.173 3.180
280 HD12 ILE 37 HD12 ILE 37 4.553 -1.771 1.967
281 HD13 ILE 37 HD13 ILE 37 2.938 -1.071 1.865
282 H GLU 38 H GLU 38 4.087 3.985 2.945
283 HA GLU 38 HA GLU 38 2.723 4.004 5.549
284 HB2 GLU 38 HB2 GLU 38 3.495 6.255 3.714
285 HB3 GLU 38 HB3 GLU 38 2.328 6.460 5.018
286 HG2 GLU 38 HG2 GLU 38 4.171 5.515 6.532
287 HG3 GLU 38 HG3 GLU 38 5.254 5.856 5.183
288 H GLU 39 H GLU 39 0.618 3.756 5.599
289 HA GLU 39 HA GLU 39 -0.852 3.295 3.172
290 HB2 GLU 39 HB2 GLU 39 -1.056 2.042 5.405
291 HB3 GLU 39 HB3 GLU 39 -1.956 3.429 5.980
292 HG2 GLU 39 HG2 GLU 39 -2.796 2.002 3.498
293 HG3 GLU 39 HG3 GLU 39 -3.204 1.357 5.082
294 H LEU 40 H LEU 40 -1.640 4.919 2.028
295 HA LEU 40 HA LEU 40 -1.632 7.579 3.118
296 HB2 LEU 40 HB2 LEU 40 -2.381 6.571 0.386
297 HB3 LEU 40 HB3 LEU 40 -2.233 8.261 0.819
298 HG LEU 40 HG LEU 40 0.017 6.249 0.847
299 HD11 LEU 40 HD11 LEU 40 -0.621 8.473 -1.071
300 HD12 LEU 40 HD12 LEU 40 -0.671 6.740 -1.403
301 HD13 LEU 40 HD13 LEU 40 0.868 7.528 -1.058
302 HD21 LEU 40 HD21 LEU 40 0.002 9.221 1.351
303 HD22 LEU 40 HD22 LEU 40 1.447 8.226 1.183
304 HD23 LEU 40 HD23 LEU 40 0.346 7.958 2.534
Start of MODEL 14
1 H1 GLY -1 H1 GLY -1 -24.421 -0.661 9.297
2 H2 GLY -1 H2 GLY -1 -24.752 -2.175 8.621
3 H3 GLY -1 H3 GLY -1 -24.854 -0.785 7.668
4 HA2 GLY -1 HA3 GLY -1 -22.485 -0.417 7.882
5 HA3 GLY -1 HA2 GLY -1 -22.375 -1.854 8.887
6 H SER 0 H SER 0 -20.884 -2.735 7.407
7 HA SER 0 HA SER 0 -20.215 -4.048 5.693
8 HB2 SER 0 HB2 SER 0 -22.220 -5.353 6.594
9 HB3 SER 0 HB3 SER 0 -23.128 -4.701 5.229
10 HG SER 0 HG SER 0 -20.716 -6.208 5.032
11 H MET 1 H MET 1 -20.941 -1.257 5.190
12 HA MET 1 HA MET 1 -21.760 -1.298 2.389
13 HB2 MET 1 HB2 MET 1 -22.722 0.474 3.729
14 HB3 MET 1 HB3 MET 1 -21.131 0.975 4.285
15 HG2 MET 1 HG2 MET 1 -20.545 1.644 2.012
16 HG3 MET 1 HG3 MET 1 -22.139 1.143 1.454
17 HE1 MET 1 HE1 MET 1 -24.515 3.710 3.130
18 HE2 MET 1 HE2 MET 1 -24.108 2.087 3.687
19 HE3 MET 1 HE3 MET 1 -24.367 2.391 1.970
20 H ALA 2 H ALA 2 -19.117 0.186 4.265
21 HA ALA 2 HA ALA 2 -17.331 -0.097 1.993
22 HB1 ALA 2 HB1 ALA 2 -16.778 0.991 4.751
23 HB2 ALA 2 HB2 ALA 2 -17.260 1.950 3.353
24 HB3 ALA 2 HB3 ALA 2 -15.715 1.102 3.350
25 H GLU 3 H GLU 3 -18.139 -1.632 4.946
26 HA GLU 3 HA GLU 3 -17.553 -3.567 5.942
27 HB2 GLU 3 HB2 GLU 3 -17.924 -4.380 3.578
28 HB3 GLU 3 HB3 GLU 3 -16.185 -4.291 3.347
29 HG2 GLU 3 HG2 GLU 3 -16.927 -6.551 3.848
30 HG3 GLU 3 HG3 GLU 3 -15.835 -5.930 5.082
31 H ALA 4 H ALA 4 -15.985 -1.444 6.526
32 HA ALA 4 HA ALA 4 -14.056 -0.837 7.542
33 HB1 ALA 4 HB1 ALA 4 -12.637 -2.570 8.501
34 HB2 ALA 4 HB2 ALA 4 -13.452 -3.791 7.525
35 HB3 ALA 4 HB3 ALA 4 -14.342 -2.927 8.778
36 H SER 5 H SER 5 -11.498 -1.238 7.355
37 HA SER 5 HA SER 5 -10.693 -2.008 4.695
38 HB2 SER 5 HB2 SER 5 -11.451 0.394 4.495
39 HB3 SER 5 HB3 SER 5 -10.140 0.828 5.589
40 HG SER 5 HG SER 5 -8.767 0.618 4.014
41 HA PRO 6 HA PRO 6 -7.355 -2.914 7.686
42 HB2 PRO 6 HB2 PRO 6 -6.986 -5.311 6.089
43 HB3 PRO 6 HB3 PRO 6 -7.417 -5.177 7.792
44 HG2 PRO 6 HG2 PRO 6 -9.133 -6.085 5.879
45 HG3 PRO 6 HG3 PRO 6 -9.663 -5.280 7.366
46 HD2 PRO 6 HD2 PRO 6 -9.403 -4.174 4.599
47 HD3 PRO 6 HD3 PRO 6 -10.660 -3.880 5.818
48 H HIS 7 H HIS 7 -7.762 -2.541 4.349
49 HA HIS 7 HA HIS 7 -5.239 -1.364 3.930
50 HB2 HIS 7 HB2 HIS 7 -4.373 -2.960 2.229
51 HB3 HIS 7 HB3 HIS 7 -4.366 -3.618 3.852
52 HD1 HIS 7 HD1 HIS 7 -5.847 -4.122 0.478
53 HD2 HIS 7 HD2 HIS 7 -6.223 -5.717 4.294
54 HE1 HIS 7 HE1 HIS 7 -7.111 -6.273 0.188
55 HE2 HIS 7 HE2 HIS 7 -7.490 -7.119 2.531
56 HA PRO 8 HA PRO 8 -8.001 0.088 0.742
57 HB2 PRO 8 HB2 PRO 8 -6.604 2.365 0.197
58 HB3 PRO 8 HB3 PRO 8 -7.685 2.189 1.579
59 HG2 PRO 8 HG2 PRO 8 -4.774 2.358 1.522
60 HG3 PRO 8 HG3 PRO 8 -5.878 2.530 2.893
61 HD2 PRO 8 HD2 PRO 8 -4.287 0.241 2.120
62 HD3 PRO 8 HD3 PRO 8 -5.271 0.463 3.574
63 H GLY 9 H GLY 9 -4.624 0.944 0.013
64 HA2 GLY 9 HA2 GLY 9 -3.862 -0.986 -1.718
65 HA3 GLY 9 HA3 GLY 9 -4.897 0.034 -2.716
66 H ARG 10 H ARG 10 -4.359 2.471 -1.594
67 HA ARG 10 HA ARG 10 -1.883 3.179 -2.794
68 HB2 ARG 10 HB2 ARG 10 -2.418 5.439 -1.852
69 HB3 ARG 10 HB3 ARG 10 -3.687 4.753 -2.855
70 HG2 ARG 10 HG2 ARG 10 -5.038 4.268 -1.021
71 HG3 ARG 10 HG3 ARG 10 -3.715 4.459 0.126
72 HD2 ARG 10 HD2 ARG 10 -4.712 6.473 0.423
73 HD3 ARG 10 HD3 ARG 10 -3.707 6.884 -0.960
74 HE ARG 10 HE ARG 10 -5.749 6.344 -2.330
75 HH11 ARG 10 HH11 ARG 10 -5.944 7.483 0.970
76 HH12 ARG 10 HH12 ARG 10 -7.490 8.245 0.748
77 HH21 ARG 10 HH21 ARG 10 -7.782 7.343 -2.629
78 HH22 ARG 10 HH22 ARG 10 -8.538 8.156 -1.298
79 H TYR 11 H TYR 11 0.014 2.772 -1.889
80 HA TYR 11 HA TYR 11 0.381 3.629 0.897
81 HB2 TYR 11 HB2 TYR 11 1.328 1.120 -0.416
82 HB3 TYR 11 HB3 TYR 11 2.359 1.890 0.779
83 HD1 TYR 11 HD2 TYR 11 -1.191 0.775 0.374
84 HD2 TYR 11 HD1 TYR 11 2.124 1.320 2.973
85 HE1 TYR 11 HE2 TYR 11 -2.435 -0.312 2.187
86 HE2 TYR 11 HE1 TYR 11 0.898 0.242 4.792
87 HH TYR 11 HH TYR 11 -1.856 -1.574 4.332
88 H PHE 12 H PHE 12 2.639 4.233 1.352
89 HA PHE 12 HA PHE 12 4.065 5.134 -1.051
90 HB2 PHE 12 HB2 PHE 12 2.746 6.928 0.223
91 HB3 PHE 12 HB3 PHE 12 3.958 6.751 1.489
92 HD1 PHE 12 HD2 PHE 12 3.326 7.757 -1.958
93 HD2 PHE 12 HD1 PHE 12 6.162 7.625 1.208
94 HE1 PHE 12 HE2 PHE 12 4.774 9.321 -3.196
95 HE2 PHE 12 HE1 PHE 12 7.626 9.184 -0.025
96 HZ PHE 12 HZ PHE 12 6.924 10.037 -2.229
97 H CYS 13 H CYS 13 5.930 4.096 -1.114
98 HA CYS 13 HA CYS 13 7.019 2.849 1.239
99 HB2 CYS 13 HB2 CYS 13 7.177 1.612 -0.803
100 HB3 CYS 13 HB3 CYS 13 7.936 2.960 -1.633
101 H HIS 14 H HIS 14 8.722 3.451 2.426
102 HA HIS 14 HA HIS 14 9.714 6.151 2.040
103 HB2 HIS 14 HB2 HIS 14 9.683 4.187 4.271
104 HB3 HIS 14 HB3 HIS 14 10.984 5.378 4.262
105 HD1 HIS 14 HD1 HIS 14 10.422 7.455 5.470
106 HD2 HIS 14 HD2 HIS 14 7.033 5.605 3.934
107 HE1 HIS 14 HE1 HIS 14 8.486 8.875 6.208
108 HE2 HIS 14 HE2 HIS 14 6.460 7.826 5.138
109 H CYS 15 H CYS 15 10.711 3.012 1.278
110 HA CYS 15 HA CYS 15 13.542 3.633 1.218
111 HB2 CYS 15 HB2 CYS 15 12.720 1.345 1.717
112 HB3 CYS 15 HB3 CYS 15 12.046 1.253 0.100
113 HG CYS 15 HG CYS 15 15.201 0.818 1.121
114 H CYS 16 H CYS 16 10.838 3.336 -0.981
115 HA CYS 16 HA CYS 16 12.540 3.986 -3.273
116 HB2 CYS 16 HB2 CYS 16 9.619 3.221 -3.160
117 HB3 CYS 16 HB3 CYS 16 10.531 3.513 -4.629
118 H SER 17 H SER 17 10.490 5.466 -1.059
119 HA SER 17 HA SER 17 9.262 7.341 -0.891
120 HB2 SER 17 HB2 SER 17 10.324 9.419 -1.738
121 HB3 SER 17 HB3 SER 17 11.425 8.393 -0.830
122 HG SER 17 HG SER 17 11.483 7.794 -3.475
123 H VAL 18 H VAL 18 8.163 5.668 -2.687
124 HA VAL 18 HA VAL 18 6.862 7.528 -4.533
125 HB VAL 18 HB VAL 18 6.767 5.851 -6.309
126 HG11 VAL 18 HG11 VAL 18 9.089 5.937 -7.046
127 HG12 VAL 18 HG12 VAL 18 9.596 6.381 -5.416
128 HG13 VAL 18 HG13 VAL 18 8.583 7.479 -6.356
129 HG21 VAL 18 HG21 VAL 18 8.187 3.840 -6.194
130 HG22 VAL 18 HG22 VAL 18 6.892 3.837 -4.996
131 HG23 VAL 18 HG23 VAL 18 8.542 4.220 -4.509
132 H GLU 19 H GLU 19 4.812 6.646 -5.352
133 HA GLU 19 HA GLU 19 3.327 5.490 -3.148
134 HB2 GLU 19 HB2 GLU 19 2.683 7.462 -4.801
135 HB3 GLU 19 HB3 GLU 19 2.071 6.139 -5.780
136 HG2 GLU 19 HG2 GLU 19 0.851 5.428 -3.646
137 HG3 GLU 19 HG3 GLU 19 1.196 7.052 -3.080
138 H ILE 20 H ILE 20 2.657 3.439 -3.044
139 HA ILE 20 HA ILE 20 3.013 1.701 -5.403
140 HB ILE 20 HB ILE 20 3.977 -0.041 -3.930
141 HG12 ILE 20 HG12 ILE 20 4.800 1.782 -1.819
142 HG13 ILE 20 HG13 ILE 20 3.055 1.591 -1.885
143 HG21 ILE 20 HG21 ILE 20 5.473 1.312 -5.261
144 HG22 ILE 20 HG22 ILE 20 6.214 0.950 -3.702
145 HG23 ILE 20 HG23 ILE 20 5.520 2.544 -4.001
146 HD11 ILE 20 HD11 ILE 20 3.359 -0.849 -1.760
147 HD12 ILE 20 HD12 ILE 20 3.993 0.005 -0.354
148 HD13 ILE 20 HD13 ILE 20 5.097 -0.596 -1.593
149 H VAL 21 H VAL 21 2.015 -0.403 -5.140
150 HA VAL 21 HA VAL 21 -0.119 -0.493 -3.113
151 HB VAL 21 HB VAL 21 -1.193 -0.472 -5.236
152 HG11 VAL 21 HG11 VAL 21 -0.605 -1.964 -7.074
153 HG12 VAL 21 HG12 VAL 21 0.717 -2.628 -6.114
154 HG13 VAL 21 HG13 VAL 21 0.755 -0.936 -6.616
155 HG21 VAL 21 HG21 VAL 21 -2.256 -2.675 -5.353
156 HG22 VAL 21 HG22 VAL 21 -2.085 -2.125 -3.687
157 HG23 VAL 21 HG23 VAL 21 -0.983 -3.341 -4.330
158 HA PRO 22 HA PRO 22 2.847 -3.368 -1.478
159 HB2 PRO 22 HB2 PRO 22 0.694 -4.026 0.431
160 HB3 PRO 22 HB3 PRO 22 2.315 -3.417 0.735
161 HG2 PRO 22 HG2 PRO 22 0.182 -1.860 1.033
162 HG3 PRO 22 HG3 PRO 22 1.705 -1.224 0.384
163 HD2 PRO 22 HD2 PRO 22 -0.795 -1.990 -1.064
164 HD3 PRO 22 HD3 PRO 22 0.278 -0.600 -1.325
165 H ARG 23 H ARG 23 3.293 -5.484 -1.678
166 HA ARG 23 HA ARG 23 1.445 -7.316 -2.832
167 HB2 ARG 23 HB2 ARG 23 4.072 -7.777 -1.393
168 HB3 ARG 23 HB3 ARG 23 3.176 -9.027 -2.241
169 HG2 ARG 23 HG2 ARG 23 3.460 -7.814 -4.340
170 HG3 ARG 23 HG3 ARG 23 4.345 -6.546 -3.490
171 HD2 ARG 23 HD2 ARG 23 6.059 -8.152 -2.865
172 HD3 ARG 23 HD3 ARG 23 5.164 -9.444 -3.659
173 HE ARG 23 HE ARG 23 5.635 -7.430 -5.540
174 HH11 ARG 23 HH11 ARG 23 7.404 -9.823 -3.699
175 HH12 ARG 23 HH12 ARG 23 8.702 -9.935 -4.844
176 HH21 ARG 23 HH21 ARG 23 7.328 -7.581 -7.059
177 HH22 ARG 23 HH22 ARG 23 8.652 -8.668 -6.769
178 H LEU 24 H LEU 24 -0.327 -7.833 -1.717
179 HA LEU 24 HA LEU 24 -0.673 -7.031 0.902
180 HB2 LEU 24 HB2 LEU 24 -2.273 -7.970 -1.166
181 HB3 LEU 24 HB3 LEU 24 -2.602 -9.018 0.197
182 HG LEU 24 HG LEU 24 -4.113 -7.055 0.054
183 HD11 LEU 24 HD11 LEU 24 -2.348 -7.181 2.487
184 HD12 LEU 24 HD12 LEU 24 -3.766 -8.181 2.175
185 HD13 LEU 24 HD13 LEU 24 -3.948 -6.443 2.416
186 HD21 LEU 24 HD21 LEU 24 -3.305 -4.855 0.570
187 HD22 LEU 24 HD22 LEU 24 -2.399 -5.480 -0.807
188 HD23 LEU 24 HD23 LEU 24 -1.665 -5.462 0.797
189 HA PRO 25 HA PRO 25 -0.574 -11.777 2.251
190 HB2 PRO 25 HB2 PRO 25 1.628 -12.522 0.385
191 HB3 PRO 25 HB3 PRO 25 0.316 -13.522 1.021
192 HG2 PRO 25 HG2 PRO 25 0.200 -12.649 -1.458
193 HG3 PRO 25 HG3 PRO 25 -1.252 -12.569 -0.438
194 HD2 PRO 25 HD2 PRO 25 0.652 -10.384 -1.191
195 HD3 PRO 25 HD3 PRO 25 -1.117 -10.352 -1.095
196 H ASP 26 H ASP 26 2.136 -9.784 1.234
197 HA ASP 26 HA ASP 26 3.603 -10.617 3.653
198 HB2 ASP 26 HB2 ASP 26 4.621 -9.639 0.990
199 HB3 ASP 26 HB3 ASP 26 5.638 -9.711 2.425
200 H TYR 27 H TYR 27 1.987 -8.074 2.167
201 HA TYR 27 HA TYR 27 1.722 -5.868 2.539
202 HB2 TYR 27 HB2 TYR 27 2.339 -6.969 5.213
203 HB3 TYR 27 HB3 TYR 27 2.470 -5.221 5.046
204 HD1 TYR 27 HD2 TYR 27 0.330 -4.484 3.282
205 HD2 TYR 27 HD1 TYR 27 0.365 -7.463 6.319
206 HE1 TYR 27 HE2 TYR 27 -2.100 -4.250 3.520
207 HE2 TYR 27 HE1 TYR 27 -2.071 -7.246 6.566
208 HH TYR 27 HH TYR 27 -3.816 -5.472 6.132
209 H ILE 28 H ILE 28 4.113 -6.527 1.261
210 HA ILE 28 HA ILE 28 5.980 -4.549 2.380
211 HB ILE 28 HB ILE 28 7.719 -5.708 0.983
212 HG12 ILE 28 HG12 ILE 28 5.570 -7.831 0.796
213 HG13 ILE 28 HG13 ILE 28 6.173 -6.864 -0.543
214 HG21 ILE 28 HG21 ILE 28 6.399 -7.309 3.169
215 HG22 ILE 28 HG22 ILE 28 7.599 -6.034 3.381
216 HG23 ILE 28 HG23 ILE 28 8.045 -7.541 2.580
217 HD11 ILE 28 HD11 ILE 28 7.740 -8.864 1.059
218 HD12 ILE 28 HD12 ILE 28 8.387 -7.868 -0.246
219 HD13 ILE 28 HD13 ILE 28 7.139 -9.067 -0.587
220 H CYS 29 H CYS 29 7.592 -4.144 0.304
221 HA CYS 29 HA CYS 29 5.979 -2.492 -1.458
222 HB2 CYS 29 HB2 CYS 29 8.042 -1.672 -0.297
223 HB3 CYS 29 HB3 CYS 29 8.976 -2.822 -1.227
224 HA PRO 30 HA PRO 30 6.400 -5.479 -4.749
225 HB2 PRO 30 HB2 PRO 30 5.500 -3.982 -6.795
226 HB3 PRO 30 HB3 PRO 30 4.417 -4.568 -5.530
227 HG2 PRO 30 HG2 PRO 30 5.600 -1.856 -5.906
228 HG3 PRO 30 HG3 PRO 30 3.980 -2.304 -5.350
229 HD2 PRO 30 HD2 PRO 30 6.073 -1.551 -3.707
230 HD3 PRO 30 HD3 PRO 30 4.662 -2.499 -3.184
231 H ARG 31 H ARG 31 8.038 -2.529 -4.459
232 HA ARG 31 HA ARG 31 9.703 -2.971 -6.804
233 HB2 ARG 31 HB2 ARG 31 10.084 -0.683 -4.929
234 HB3 ARG 31 HB3 ARG 31 10.299 -0.745 -6.666
235 HG2 ARG 31 HG2 ARG 31 7.691 -1.123 -6.598
236 HG3 ARG 31 HG3 ARG 31 7.859 -0.291 -5.064
237 HD2 ARG 31 HD2 ARG 31 7.378 1.274 -6.848
238 HD3 ARG 31 HD3 ARG 31 8.976 1.557 -6.171
239 HE ARG 31 HE ARG 31 9.457 -0.075 -8.287
240 HH11 ARG 31 HH11 ARG 31 7.715 2.943 -7.956
241 HH12 ARG 31 HH12 ARG 31 8.145 3.511 -9.535
242 HH21 ARG 31 HH21 ARG 31 10.013 0.659 -10.367
243 HH22 ARG 31 HH22 ARG 31 9.452 2.208 -10.912
244 H CYS 32 H CYS 32 10.068 -2.590 -3.251
245 HA CYS 32 HA CYS 32 12.799 -3.613 -3.613
246 HB2 CYS 32 HB2 CYS 32 13.620 -2.167 -1.869
247 HB3 CYS 32 HB3 CYS 32 12.787 -1.198 -3.075
248 H GLU 33 H GLU 33 9.855 -4.272 -2.225
249 HA GLU 33 HA GLU 33 9.096 -5.763 -0.687
250 HB2 GLU 33 HB2 GLU 33 11.810 -6.971 -1.217
251 HB3 GLU 33 HB3 GLU 33 10.554 -7.755 -0.278
252 HG2 GLU 33 HG2 GLU 33 9.077 -7.649 -2.271
253 HG3 GLU 33 HG3 GLU 33 10.449 -7.027 -3.189
254 H SER 34 H SER 34 10.113 -3.443 0.442
255 HA SER 34 HA SER 34 11.909 -4.180 2.588
256 HB2 SER 34 HB2 SER 34 12.482 -2.107 1.668
257 HB3 SER 34 HB3 SER 34 10.803 -1.582 1.567
258 HG SER 34 HG SER 34 12.587 -1.279 3.582
259 H GLY 35 H GLY 35 8.726 -2.573 2.401
260 HA2 GLY 35 HA2 GLY 35 6.931 -3.399 3.835
261 HA3 GLY 35 HA3 GLY 35 8.162 -3.685 5.053
262 H PHE 36 H PHE 36 9.515 -1.135 4.344
263 HA PHE 36 HA PHE 36 8.157 0.634 6.095
264 HB2 PHE 36 HB2 PHE 36 10.525 0.887 4.277
265 HB3 PHE 36 HB3 PHE 36 9.833 2.323 5.020
266 HD1 PHE 36 HD1 PHE 36 11.312 -0.985 5.786
267 HD2 PHE 36 HD2 PHE 36 10.294 2.888 7.206
268 HE1 PHE 36 HE1 PHE 36 12.581 -1.417 7.850
269 HE2 PHE 36 HE2 PHE 36 11.561 2.469 9.277
270 HZ PHE 36 HZ PHE 36 12.706 0.313 9.600
271 H ILE 37 H ILE 37 6.056 0.765 5.190
272 HA ILE 37 HA ILE 37 5.872 2.657 2.963
273 HB ILE 37 HB ILE 37 3.926 1.400 2.071
274 HG12 ILE 37 HG12 ILE 37 4.797 -0.648 4.116
275 HG13 ILE 37 HG13 ILE 37 3.227 0.106 3.966
276 HG21 ILE 37 HG21 ILE 37 5.301 -0.436 1.050
277 HG22 ILE 37 HG22 ILE 37 6.609 0.050 2.133
278 HG23 ILE 37 HG23 ILE 37 5.986 1.186 0.934
279 HD11 ILE 37 HD11 ILE 37 4.419 -1.792 1.959
280 HD12 ILE 37 HD12 ILE 37 2.799 -1.097 1.919
281 HD13 ILE 37 HD13 ILE 37 3.242 -2.223 3.198
282 H GLU 38 H GLU 38 3.995 3.934 2.955
283 HA GLU 38 HA GLU 38 2.648 4.043 5.564
284 HB2 GLU 38 HB2 GLU 38 3.414 6.204 3.631
285 HB3 GLU 38 HB3 GLU 38 2.190 6.468 4.866
286 HG2 GLU 38 HG2 GLU 38 3.955 5.715 6.535
287 HG3 GLU 38 HG3 GLU 38 5.111 5.902 5.215
288 H GLU 39 H GLU 39 0.554 3.718 5.628
289 HA GLU 39 HA GLU 39 -0.966 3.366 3.203
290 HB2 GLU 39 HB2 GLU 39 -1.192 1.965 5.304
291 HB3 GLU 39 HB3 GLU 39 -1.959 3.351 6.060
292 HG2 GLU 39 HG2 GLU 39 -3.082 2.439 3.483
293 HG3 GLU 39 HG3 GLU 39 -3.311 1.386 4.879
294 H LEU 40 H LEU 40 -1.681 5.079 2.150
295 HA LEU 40 HA LEU 40 -1.439 7.670 3.325
296 HB2 LEU 40 HB2 LEU 40 -2.412 6.827 0.615
297 HB3 LEU 40 HB3 LEU 40 -2.110 8.484 1.090
298 HG LEU 40 HG LEU 40 -0.035 6.300 0.940
299 HD11 LEU 40 HD11 LEU 40 -0.814 6.977 -1.247
300 HD12 LEU 40 HD12 LEU 40 0.827 7.555 -0.958
301 HD13 LEU 40 HD13 LEU 40 -0.535 8.670 -0.840
302 HD21 LEU 40 HD21 LEU 40 0.187 9.228 1.613
303 HD22 LEU 40 HD22 LEU 40 1.557 8.175 1.267
304 HD23 LEU 40 HD23 LEU 40 0.540 7.864 2.674
Start of MODEL 15
1 H1 GLY -1 H1 GLY -1 -21.280 -8.990 -8.132
2 H2 GLY -1 H2 GLY -1 -22.123 -7.682 -7.476
3 H3 GLY -1 H3 GLY -1 -20.572 -8.049 -6.916
4 HA2 GLY -1 HA3 GLY -1 -19.635 -7.517 -9.082
5 HA3 GLY -1 HA2 GLY -1 -21.249 -7.122 -9.651
6 H SER 0 H SER 0 -22.409 -5.463 -8.166
7 HA SER 0 HA SER 0 -20.739 -3.131 -8.194
8 HB2 SER 0 HB2 SER 0 -22.866 -1.987 -7.455
9 HB3 SER 0 HB3 SER 0 -22.992 -2.882 -8.969
10 HG SER 0 HG SER 0 -24.744 -3.486 -7.800
11 H MET 1 H MET 1 -19.674 -2.261 -6.573
12 HA MET 1 HA MET 1 -18.852 -1.804 -4.522
13 HB2 MET 1 HB2 MET 1 -21.096 -0.846 -4.183
14 HB3 MET 1 HB3 MET 1 -21.671 -2.402 -3.604
15 HG2 MET 1 HG2 MET 1 -21.214 -0.854 -1.774
16 HG3 MET 1 HG3 MET 1 -20.183 -2.282 -1.701
17 HE1 MET 1 HE1 MET 1 -19.587 0.335 -0.015
18 HE2 MET 1 HE2 MET 1 -17.847 0.495 -0.256
19 HE3 MET 1 HE3 MET 1 -18.557 -1.097 0.006
20 H ALA 2 H ALA 2 -17.614 -3.797 -4.871
21 HA ALA 2 HA ALA 2 -18.323 -5.918 -2.963
22 HB1 ALA 2 HB1 ALA 2 -16.675 -7.296 -4.116
23 HB2 ALA 2 HB2 ALA 2 -16.249 -5.937 -5.155
24 HB3 ALA 2 HB3 ALA 2 -17.857 -6.655 -5.258
25 H GLU 3 H GLU 3 -17.150 -3.189 -2.496
26 HA GLU 3 HA GLU 3 -15.644 -2.162 -1.173
27 HB2 GLU 3 HB2 GLU 3 -15.308 -4.935 -0.023
28 HB3 GLU 3 HB3 GLU 3 -14.700 -3.456 0.709
29 HG2 GLU 3 HG2 GLU 3 -16.986 -2.616 0.880
30 HG3 GLU 3 HG3 GLU 3 -17.584 -4.131 0.207
31 H ALA 4 H ALA 4 -14.752 -2.913 -3.695
32 HA ALA 4 HA ALA 4 -12.051 -3.916 -3.424
33 HB1 ALA 4 HB1 ALA 4 -13.409 -4.485 -5.398
34 HB2 ALA 4 HB2 ALA 4 -11.912 -3.661 -5.831
35 HB3 ALA 4 HB3 ALA 4 -13.440 -2.780 -5.849
36 H SER 5 H SER 5 -13.599 -0.972 -3.044
37 HA SER 5 HA SER 5 -11.167 0.544 -3.635
38 HB2 SER 5 HB2 SER 5 -13.912 1.606 -2.930
39 HB3 SER 5 HB3 SER 5 -12.532 2.548 -3.483
40 HG SER 5 HG SER 5 -12.654 1.008 -5.379
41 HA PRO 6 HA PRO 6 -11.921 1.638 1.003
42 HB2 PRO 6 HB2 PRO 6 -13.765 -0.329 2.101
43 HB3 PRO 6 HB3 PRO 6 -13.879 1.431 2.122
44 HG2 PRO 6 HG2 PRO 6 -15.539 -0.133 0.659
45 HG3 PRO 6 HG3 PRO 6 -15.077 1.508 0.167
46 HD2 PRO 6 HD2 PRO 6 -14.008 -1.126 -0.777
47 HD3 PRO 6 HD3 PRO 6 -14.414 0.324 -1.713
48 H HIS 7 H HIS 7 -9.831 0.648 0.764
49 HA HIS 7 HA HIS 7 -9.227 -1.162 2.830
50 HB2 HIS 7 HB2 HIS 7 -8.486 -3.114 1.635
51 HB3 HIS 7 HB3 HIS 7 -10.133 -2.805 1.126
52 HD1 HIS 7 HD1 HIS 7 -6.673 -3.091 -0.147
53 HD2 HIS 7 HD2 HIS 7 -10.374 -1.809 -1.542
54 HE1 HIS 7 HE1 HIS 7 -6.435 -2.926 -2.642
55 HE2 HIS 7 HE2 HIS 7 -8.642 -2.021 -3.450
56 HA PRO 8 HA PRO 8 -5.237 0.737 2.099
57 HB2 PRO 8 HB2 PRO 8 -3.987 -1.870 2.724
58 HB3 PRO 8 HB3 PRO 8 -3.758 -0.301 3.500
59 HG2 PRO 8 HG2 PRO 8 -5.113 -2.260 4.695
60 HG3 PRO 8 HG3 PRO 8 -5.591 -0.562 4.874
61 HD2 PRO 8 HD2 PRO 8 -6.807 -2.706 3.179
62 HD3 PRO 8 HD3 PRO 8 -7.597 -1.402 4.092
63 H GLY 9 H GLY 9 -4.561 1.103 0.084
64 HA2 GLY 9 HA2 GLY 9 -3.635 -1.142 -1.535
65 HA3 GLY 9 HA3 GLY 9 -4.931 -0.160 -2.201
66 H ARG 10 H ARG 10 -4.146 2.338 -1.313
67 HA ARG 10 HA ARG 10 -1.797 2.848 -2.940
68 HB2 ARG 10 HB2 ARG 10 -2.409 5.252 -2.474
69 HB3 ARG 10 HB3 ARG 10 -3.618 4.313 -3.341
70 HG2 ARG 10 HG2 ARG 10 -5.065 4.256 -1.565
71 HG3 ARG 10 HG3 ARG 10 -3.789 4.522 -0.377
72 HD2 ARG 10 HD2 ARG 10 -4.302 6.672 -0.369
73 HD3 ARG 10 HD3 ARG 10 -3.813 6.774 -2.058
74 HE ARG 10 HE ARG 10 -6.110 6.372 -2.677
75 HH11 ARG 10 HH11 ARG 10 -5.552 7.031 0.722
76 HH12 ARG 10 HH12 ARG 10 -7.160 7.630 0.994
77 HH21 ARG 10 HH21 ARG 10 -8.238 7.142 -2.308
78 HH22 ARG 10 HH22 ARG 10 -8.689 7.676 -0.719
79 H TYR 11 H TYR 11 0.055 2.462 -1.905
80 HA TYR 11 HA TYR 11 0.368 3.538 0.821
81 HB2 TYR 11 HB2 TYR 11 1.415 1.058 -0.471
82 HB3 TYR 11 HB3 TYR 11 2.402 1.851 0.746
83 HD1 TYR 11 HD1 TYR 11 -1.079 0.550 0.249
84 HD2 TYR 11 HD2 TYR 11 2.118 1.319 2.951
85 HE1 TYR 11 HE1 TYR 11 -2.311 -0.611 2.048
86 HE2 TYR 11 HE2 TYR 11 0.915 0.167 4.733
87 HH TYR 11 HH TYR 11 -1.499 -0.369 5.278
88 H PHE 12 H PHE 12 2.650 4.145 1.325
89 HA PHE 12 HA PHE 12 4.080 5.111 -1.055
90 HB2 PHE 12 HB2 PHE 12 2.755 6.871 0.260
91 HB3 PHE 12 HB3 PHE 12 3.962 6.662 1.527
92 HD1 PHE 12 HD1 PHE 12 3.344 7.750 -1.899
93 HD2 PHE 12 HD2 PHE 12 6.168 7.552 1.277
94 HE1 PHE 12 HE1 PHE 12 4.794 9.344 -3.092
95 HE2 PHE 12 HE2 PHE 12 7.632 9.145 0.084
96 HZ PHE 12 HZ PHE 12 6.937 10.045 -2.099
97 H CYS 13 H CYS 13 5.970 4.116 -1.135
98 HA CYS 13 HA CYS 13 7.061 2.815 1.193
99 HB2 CYS 13 HB2 CYS 13 7.231 1.626 -0.874
100 HB3 CYS 13 HB3 CYS 13 7.976 2.999 -1.675
101 H HIS 14 H HIS 14 8.669 3.462 2.452
102 HA HIS 14 HA HIS 14 9.588 6.174 2.262
103 HB2 HIS 14 HB2 HIS 14 9.980 3.926 4.203
104 HB3 HIS 14 HB3 HIS 14 11.016 5.347 4.297
105 HD1 HIS 14 HD1 HIS 14 10.007 6.035 6.576
106 HD2 HIS 14 HD2 HIS 14 7.244 5.849 3.478
107 HE1 HIS 14 HE1 HIS 14 7.950 7.184 7.436
108 HE2 HIS 14 HE2 HIS 14 6.401 7.278 5.453
109 H CYS 15 H CYS 15 10.795 3.113 1.267
110 HA CYS 15 HA CYS 15 13.549 3.986 1.123
111 HB2 CYS 15 HB2 CYS 15 12.900 1.616 1.607
112 HB3 CYS 15 HB3 CYS 15 12.286 1.494 -0.035
113 HG CYS 15 HG CYS 15 15.552 2.108 0.785
114 H CYS 16 H CYS 16 10.908 3.276 -1.120
115 HA CYS 16 HA CYS 16 12.504 4.073 -3.408
116 HB2 CYS 16 HB2 CYS 16 9.600 3.249 -3.229
117 HB3 CYS 16 HB3 CYS 16 10.473 3.553 -4.719
118 H SER 17 H SER 17 10.439 5.499 -1.168
119 HA SER 17 HA SER 17 9.206 7.369 -0.975
120 HB2 SER 17 HB2 SER 17 10.247 9.451 -1.819
121 HB3 SER 17 HB3 SER 17 11.372 8.420 -0.939
122 HG SER 17 HG SER 17 11.462 7.756 -3.524
123 H VAL 18 H VAL 18 8.036 5.732 -2.695
124 HA VAL 18 HA VAL 18 6.759 7.562 -4.584
125 HB VAL 18 HB VAL 18 6.649 5.835 -6.325
126 HG11 VAL 18 HG11 VAL 18 8.447 7.483 -6.433
127 HG12 VAL 18 HG12 VAL 18 8.964 5.927 -7.084
128 HG13 VAL 18 HG13 VAL 18 9.479 6.421 -5.471
129 HG21 VAL 18 HG21 VAL 18 8.112 3.851 -6.162
130 HG22 VAL 18 HG22 VAL 18 6.809 3.857 -4.975
131 HG23 VAL 18 HG23 VAL 18 8.447 4.278 -4.486
132 H GLU 19 H GLU 19 4.707 6.654 -5.389
133 HA GLU 19 HA GLU 19 3.222 5.498 -3.180
134 HB2 GLU 19 HB2 GLU 19 2.631 7.419 -5.007
135 HB3 GLU 19 HB3 GLU 19 1.873 6.027 -5.760
136 HG2 GLU 19 HG2 GLU 19 0.691 5.642 -3.608
137 HG3 GLU 19 HG3 GLU 19 1.343 7.171 -3.044
138 H ILE 20 H ILE 20 2.595 3.407 -3.091
139 HA ILE 20 HA ILE 20 2.978 1.729 -5.491
140 HB ILE 20 HB ILE 20 3.922 -0.051 -4.021
141 HG12 ILE 20 HG12 ILE 20 4.806 1.803 -1.958
142 HG13 ILE 20 HG13 ILE 20 3.062 1.579 -1.963
143 HG21 ILE 20 HG21 ILE 20 5.482 2.517 -4.168
144 HG22 ILE 20 HG22 ILE 20 5.410 1.252 -5.395
145 HG23 ILE 20 HG23 ILE 20 6.173 0.929 -3.838
146 HD11 ILE 20 HD11 ILE 20 3.424 -0.856 -1.823
147 HD12 ILE 20 HD12 ILE 20 4.080 0.031 -0.446
148 HD13 ILE 20 HD13 ILE 20 5.160 -0.558 -1.710
149 H VAL 21 H VAL 21 2.008 -0.376 -5.319
150 HA VAL 21 HA VAL 21 -0.187 -0.554 -3.368
151 HB VAL 21 HB VAL 21 -1.180 -0.421 -5.530
152 HG11 VAL 21 HG11 VAL 21 0.707 -2.584 -6.445
153 HG12 VAL 21 HG12 VAL 21 0.816 -0.873 -6.862
154 HG13 VAL 21 HG13 VAL 21 -0.563 -1.831 -7.413
155 HG21 VAL 21 HG21 VAL 21 -2.260 -2.612 -5.783
156 HG22 VAL 21 HG22 VAL 21 -2.172 -2.105 -4.096
157 HG23 VAL 21 HG23 VAL 21 -1.051 -3.319 -4.711
158 HA PRO 22 HA PRO 22 2.852 -3.441 -1.861
159 HB2 PRO 22 HB2 PRO 22 0.865 -3.976 0.242
160 HB3 PRO 22 HB3 PRO 22 2.499 -3.339 0.376
161 HG2 PRO 22 HG2 PRO 22 0.358 -1.795 0.763
162 HG3 PRO 22 HG3 PRO 22 1.833 -1.172 0.004
163 HD2 PRO 22 HD2 PRO 22 -0.740 -2.014 -1.265
164 HD3 PRO 22 HD3 PRO 22 0.297 -0.620 -1.633
165 H ARG 23 H ARG 23 3.181 -5.610 -1.638
166 HA ARG 23 HA ARG 23 1.221 -7.458 -2.627
167 HB2 ARG 23 HB2 ARG 23 3.839 -7.960 -1.182
168 HB3 ARG 23 HB3 ARG 23 2.889 -9.171 -2.024
169 HG2 ARG 23 HG2 ARG 23 3.273 -8.028 -4.136
170 HG3 ARG 23 HG3 ARG 23 4.191 -6.776 -3.300
171 HD2 ARG 23 HD2 ARG 23 5.752 -8.562 -2.525
172 HD3 ARG 23 HD3 ARG 23 4.887 -9.694 -3.561
173 HE ARG 23 HE ARG 23 5.566 -7.660 -5.233
174 HH11 ARG 23 HH11 ARG 23 7.321 -9.799 -3.108
175 HH12 ARG 23 HH12 ARG 23 8.811 -9.686 -3.993
176 HH21 ARG 23 HH21 ARG 23 7.511 -7.520 -6.436
177 HH22 ARG 23 HH22 ARG 23 8.901 -8.419 -5.922
178 H LEU 24 H LEU 24 -0.536 -7.743 -1.383
179 HA LEU 24 HA LEU 24 -0.758 -6.728 1.165
180 HB2 LEU 24 HB2 LEU 24 -2.411 -8.053 -0.742
181 HB3 LEU 24 HB3 LEU 24 -2.787 -8.607 0.867
182 HG LEU 24 HG LEU 24 -4.113 -6.632 0.011
183 HD11 LEU 24 HD11 LEU 24 -4.056 -7.263 2.364
184 HD12 LEU 24 HD12 LEU 24 -4.122 -5.512 2.169
185 HD13 LEU 24 HD13 LEU 24 -2.599 -6.295 2.587
186 HD21 LEU 24 HD21 LEU 24 -1.586 -5.122 0.650
187 HD22 LEU 24 HD22 LEU 24 -3.118 -4.455 0.080
188 HD23 LEU 24 HD23 LEU 24 -2.150 -5.474 -0.983
189 HA PRO 25 HA PRO 25 -0.745 -11.359 2.909
190 HB2 PRO 25 HB2 PRO 25 1.429 -12.294 1.094
191 HB3 PRO 25 HB3 PRO 25 0.115 -13.216 1.835
192 HG2 PRO 25 HG2 PRO 25 -0.033 -12.557 -0.707
193 HG3 PRO 25 HG3 PRO 25 -1.465 -12.376 0.328
194 HD2 PRO 25 HD2 PRO 25 0.437 -10.285 -0.659
195 HD3 PRO 25 HD3 PRO 25 -1.328 -10.226 -0.512
196 H ASP 26 H ASP 26 2.158 -9.756 1.617
197 HA ASP 26 HA ASP 26 3.486 -10.258 4.199
198 HB2 ASP 26 HB2 ASP 26 4.593 -9.716 1.455
199 HB3 ASP 26 HB3 ASP 26 5.581 -9.535 2.899
200 H TYR 27 H TYR 27 1.945 -7.899 2.440
201 HA TYR 27 HA TYR 27 1.751 -5.653 2.508
202 HB2 TYR 27 HB2 TYR 27 2.350 -6.426 5.301
203 HB3 TYR 27 HB3 TYR 27 2.508 -4.720 4.912
204 HD1 TYR 27 HD1 TYR 27 0.368 -4.083 3.158
205 HD2 TYR 27 HD2 TYR 27 0.375 -6.824 6.413
206 HE1 TYR 27 HE1 TYR 27 -2.051 -3.763 3.425
207 HE2 TYR 27 HE2 TYR 27 -2.049 -6.519 6.680
208 HH TYR 27 HH TYR 27 -3.990 -5.070 4.372
209 H ILE 28 H ILE 28 4.117 -6.486 1.295
210 HA ILE 28 HA ILE 28 6.039 -4.477 2.249
211 HB ILE 28 HB ILE 28 7.703 -5.734 0.799
212 HG12 ILE 28 HG12 ILE 28 5.648 -7.939 1.046
213 HG13 ILE 28 HG13 ILE 28 5.969 -7.054 -0.438
214 HG21 ILE 28 HG21 ILE 28 8.157 -7.380 2.552
215 HG22 ILE 28 HG22 ILE 28 6.553 -7.096 3.226
216 HG23 ILE 28 HG23 ILE 28 7.749 -5.799 3.219
217 HD11 ILE 28 HD11 ILE 28 8.270 -7.882 -0.423
218 HD12 ILE 28 HD12 ILE 28 7.094 -9.198 -0.431
219 HD13 ILE 28 HD13 ILE 28 7.930 -8.772 1.061
220 H CYS 29 H CYS 29 7.612 -4.113 0.189
221 HA CYS 29 HA CYS 29 5.997 -2.463 -1.571
222 HB2 CYS 29 HB2 CYS 29 8.041 -1.631 -0.397
223 HB3 CYS 29 HB3 CYS 29 8.995 -2.784 -1.302
224 HA PRO 30 HA PRO 30 6.494 -5.450 -4.848
225 HB2 PRO 30 HB2 PRO 30 5.501 -4.022 -6.895
226 HB3 PRO 30 HB3 PRO 30 4.459 -4.614 -5.596
227 HG2 PRO 30 HG2 PRO 30 5.536 -1.876 -6.064
228 HG3 PRO 30 HG3 PRO 30 3.956 -2.366 -5.434
229 HD2 PRO 30 HD2 PRO 30 6.118 -1.511 -3.909
230 HD3 PRO 30 HD3 PRO 30 4.722 -2.427 -3.292
231 H ARG 31 H ARG 31 8.036 -2.472 -4.551
232 HA ARG 31 HA ARG 31 9.690 -2.798 -6.919
233 HB2 ARG 31 HB2 ARG 31 9.946 -0.571 -4.938
234 HB3 ARG 31 HB3 ARG 31 10.270 -0.558 -6.662
235 HG2 ARG 31 HG2 ARG 31 7.720 -0.989 -6.853
236 HG3 ARG 31 HG3 ARG 31 7.681 -0.373 -5.214
237 HD2 ARG 31 HD2 ARG 31 7.280 1.348 -6.931
238 HD3 ARG 31 HD3 ARG 31 8.651 1.691 -5.886
239 HE ARG 31 HE ARG 31 9.762 0.440 -8.031
240 HH11 ARG 31 HH11 ARG 31 7.596 3.173 -7.737
241 HH12 ARG 31 HH12 ARG 31 8.295 4.035 -9.068
242 HH21 ARG 31 HH21 ARG 31 10.671 1.563 -9.801
243 HH22 ARG 31 HH22 ARG 31 10.042 3.116 -10.244
244 H CYS 32 H CYS 32 10.077 -2.522 -3.357
245 HA CYS 32 HA CYS 32 12.798 -3.562 -3.761
246 HB2 CYS 32 HB2 CYS 32 13.671 -2.133 -2.032
247 HB3 CYS 32 HB3 CYS 32 12.832 -1.145 -3.219
248 H GLU 33 H GLU 33 9.866 -4.195 -2.373
249 HA GLU 33 HA GLU 33 9.090 -5.700 -0.850
250 HB2 GLU 33 HB2 GLU 33 11.808 -6.973 -1.192
251 HB3 GLU 33 HB3 GLU 33 10.352 -7.764 -0.617
252 HG2 GLU 33 HG2 GLU 33 9.313 -7.529 -2.774
253 HG3 GLU 33 HG3 GLU 33 10.682 -6.590 -3.368
254 H SER 34 H SER 34 10.035 -3.422 0.332
255 HA SER 34 HA SER 34 11.917 -4.106 2.420
256 HB2 SER 34 HB2 SER 34 12.379 -2.001 1.519
257 HB3 SER 34 HB3 SER 34 10.677 -1.552 1.444
258 HG SER 34 HG SER 34 12.471 -1.425 3.562
259 H GLY 35 H GLY 35 8.651 -2.671 2.332
260 HA2 GLY 35 HA2 GLY 35 6.940 -3.487 3.845
261 HA3 GLY 35 HA3 GLY 35 8.222 -3.776 5.009
262 H PHE 36 H PHE 36 9.519 -1.212 4.226
263 HA PHE 36 HA PHE 36 8.221 0.514 6.085
264 HB2 PHE 36 HB2 PHE 36 10.510 0.896 4.163
265 HB3 PHE 36 HB3 PHE 36 9.904 2.207 5.163
266 HD1 PHE 36 HD1 PHE 36 10.693 -1.394 5.778
267 HD2 PHE 36 HD2 PHE 36 11.281 2.664 6.896
268 HE1 PHE 36 HE1 PHE 36 12.157 -2.122 7.616
269 HE2 PHE 36 HE2 PHE 36 12.742 1.948 8.741
270 HZ PHE 36 HZ PHE 36 13.184 -0.447 9.102
271 H ILE 37 H ILE 37 6.094 0.630 5.142
272 HA ILE 37 HA ILE 37 5.925 2.610 2.988
273 HB ILE 37 HB ILE 37 3.995 1.388 2.027
274 HG12 ILE 37 HG12 ILE 37 4.807 -0.709 4.038
275 HG13 ILE 37 HG13 ILE 37 3.244 0.052 3.856
276 HG21 ILE 37 HG21 ILE 37 6.063 1.177 0.904
277 HG22 ILE 37 HG22 ILE 37 5.375 -0.448 0.989
278 HG23 ILE 37 HG23 ILE 37 6.670 0.022 2.091
279 HD11 ILE 37 HD11 ILE 37 2.907 -1.089 1.742
280 HD12 ILE 37 HD12 ILE 37 3.236 -2.239 3.036
281 HD13 ILE 37 HD13 ILE 37 4.500 -1.831 1.877
282 H GLU 38 H GLU 38 4.005 3.844 2.973
283 HA GLU 38 HA GLU 38 2.652 3.900 5.582
284 HB2 GLU 38 HB2 GLU 38 3.475 6.082 3.713
285 HB3 GLU 38 HB3 GLU 38 2.185 6.340 4.886
286 HG2 GLU 38 HG2 GLU 38 5.037 5.581 5.467
287 HG3 GLU 38 HG3 GLU 38 4.260 7.128 5.781
288 H GLU 39 H GLU 39 0.574 3.535 5.641
289 HA GLU 39 HA GLU 39 -0.930 3.056 3.247
290 HB2 GLU 39 HB2 GLU 39 -1.054 1.830 5.499
291 HB3 GLU 39 HB3 GLU 39 -1.996 3.194 6.068
292 HG2 GLU 39 HG2 GLU 39 -2.782 1.622 3.643
293 HG3 GLU 39 HG3 GLU 39 -3.232 1.116 5.267
294 H LEU 40 H LEU 40 -1.456 4.776 2.084
295 HA LEU 40 HA LEU 40 -1.801 7.376 3.233
296 HB2 LEU 40 HB2 LEU 40 -2.263 6.419 0.420
297 HB3 LEU 40 HB3 LEU 40 -2.179 8.094 0.923
298 HG LEU 40 HG LEU 40 0.100 6.120 1.060
299 HD11 LEU 40 HD11 LEU 40 -0.425 6.629 -1.222
300 HD12 LEU 40 HD12 LEU 40 1.054 7.469 -0.756
301 HD13 LEU 40 HD13 LEU 40 -0.467 8.355 -0.864
302 HD21 LEU 40 HD21 LEU 40 1.470 8.107 1.528
303 HD22 LEU 40 HD22 LEU 40 0.275 7.810 2.791
304 HD23 LEU 40 HD23 LEU 40 0.003 9.083 1.602
Start of MODEL 16
1 H1 GLY -1 H1 GLY -1 -9.710 5.548 10.104
2 H2 GLY -1 H2 GLY -1 -10.358 5.797 11.644
3 H3 GLY -1 H3 GLY -1 -11.324 5.157 10.414
4 HA2 GLY -1 HA3 GLY -1 -8.954 3.829 11.601
5 HA3 GLY -1 HA2 GLY -1 -10.628 3.438 11.973
6 H SER 0 H SER 0 -8.331 1.943 10.662
7 HA SER 0 HA SER 0 -8.940 1.570 7.932
8 HB2 SER 0 HB2 SER 0 -7.602 -0.396 9.802
9 HB3 SER 0 HB3 SER 0 -7.445 -0.326 8.048
10 HG SER 0 HG SER 0 -6.426 1.694 8.277
11 H MET 1 H MET 1 -9.780 -0.351 10.815
12 HA MET 1 HA MET 1 -11.818 -1.716 9.183
13 HB2 MET 1 HB2 MET 1 -10.243 -2.651 11.572
14 HB3 MET 1 HB3 MET 1 -11.748 -3.429 11.112
15 HG2 MET 1 HG2 MET 1 -9.960 -4.695 10.203
16 HG3 MET 1 HG3 MET 1 -10.768 -3.871 8.874
17 HE1 MET 1 HE1 MET 1 -8.164 -2.462 11.506
18 HE2 MET 1 HE2 MET 1 -6.662 -2.655 10.604
19 HE3 MET 1 HE3 MET 1 -7.570 -4.075 11.119
20 H ALA 2 H ALA 2 -13.312 -0.018 9.489
21 HA ALA 2 HA ALA 2 -14.886 -0.314 11.880
22 HB1 ALA 2 HB1 ALA 2 -13.673 2.383 11.279
23 HB2 ALA 2 HB2 ALA 2 -13.218 1.330 12.619
24 HB3 ALA 2 HB3 ALA 2 -14.839 2.023 12.552
25 H GLU 3 H GLU 3 -15.816 -1.092 9.640
26 HA GLU 3 HA GLU 3 -17.610 -0.959 8.253
27 HB2 GLU 3 HB2 GLU 3 -18.800 0.296 9.973
28 HB3 GLU 3 HB3 GLU 3 -18.018 1.783 9.458
29 HG2 GLU 3 HG2 GLU 3 -19.140 1.632 7.305
30 HG3 GLU 3 HG3 GLU 3 -19.940 0.148 7.821
31 H ALA 4 H ALA 4 -16.241 2.330 8.318
32 HA ALA 4 HA ALA 4 -16.224 2.459 5.434
33 HB1 ALA 4 HB1 ALA 4 -16.712 4.460 6.738
34 HB2 ALA 4 HB2 ALA 4 -15.261 4.690 5.766
35 HB3 ALA 4 HB3 ALA 4 -15.123 4.371 7.494
36 H SER 5 H SER 5 -13.953 3.634 4.711
37 HA SER 5 HA SER 5 -11.823 3.262 4.056
38 HB2 SER 5 HB2 SER 5 -11.512 1.875 6.731
39 HB3 SER 5 HB3 SER 5 -10.204 2.450 5.697
40 HG SER 5 HG SER 5 -11.567 3.797 7.545
41 HA PRO 6 HA PRO 6 -12.838 -0.885 2.514
42 HB2 PRO 6 HB2 PRO 6 -12.096 -0.424 -0.037
43 HB3 PRO 6 HB3 PRO 6 -13.657 0.097 0.606
44 HG2 PRO 6 HG2 PRO 6 -11.159 1.679 0.181
45 HG3 PRO 6 HG3 PRO 6 -12.843 2.135 -0.135
46 HD2 PRO 6 HD2 PRO 6 -11.455 2.920 2.078
47 HD3 PRO 6 HD3 PRO 6 -13.217 2.736 2.045
48 H HIS 7 H HIS 7 -11.308 -2.045 0.591
49 HA HIS 7 HA HIS 7 -9.090 -2.977 1.967
50 HB2 HIS 7 HB2 HIS 7 -8.390 -4.025 -0.143
51 HB3 HIS 7 HB3 HIS 7 -10.099 -4.248 0.154
52 HD1 HIS 7 HD1 HIS 7 -11.748 -3.167 -1.512
53 HD2 HIS 7 HD2 HIS 7 -7.748 -2.428 -2.374
54 HE1 HIS 7 HE1 HIS 7 -11.722 -2.214 -3.835
55 HE2 HIS 7 HE2 HIS 7 -9.287 -1.882 -4.380
56 HA PRO 8 HA PRO 8 -6.140 0.334 1.436
57 HB2 PRO 8 HB2 PRO 8 -4.159 -1.697 2.224
58 HB3 PRO 8 HB3 PRO 8 -4.580 -0.177 3.018
59 HG2 PRO 8 HG2 PRO 8 -5.261 -2.555 4.064
60 HG3 PRO 8 HG3 PRO 8 -6.304 -1.129 4.219
61 HD2 PRO 8 HD2 PRO 8 -6.545 -3.461 2.356
62 HD3 PRO 8 HD3 PRO 8 -7.810 -2.593 3.253
63 H GLY 9 H GLY 9 -4.828 0.946 -0.225
64 HA2 GLY 9 HA2 GLY 9 -3.606 -1.101 -1.905
65 HA3 GLY 9 HA3 GLY 9 -4.801 -0.064 -2.668
66 H ARG 10 H ARG 10 -4.326 2.359 -1.724
67 HA ARG 10 HA ARG 10 -1.854 3.107 -2.936
68 HB2 ARG 10 HB2 ARG 10 -2.513 5.416 -2.155
69 HB3 ARG 10 HB3 ARG 10 -3.660 4.620 -3.219
70 HG2 ARG 10 HG2 ARG 10 -5.200 4.294 -1.543
71 HG3 ARG 10 HG3 ARG 10 -3.994 4.418 -0.262
72 HD2 ARG 10 HD2 ARG 10 -4.832 6.489 -0.024
73 HD3 ARG 10 HD3 ARG 10 -3.785 6.846 -1.393
74 HE ARG 10 HE ARG 10 -6.019 6.165 -2.654
75 HH11 ARG 10 HH11 ARG 10 -5.517 8.193 0.146
76 HH12 ARG 10 HH12 ARG 10 -6.836 9.261 -0.217
77 HH21 ARG 10 HH21 ARG 10 -7.794 7.560 -3.138
78 HH22 ARG 10 HH22 ARG 10 -8.137 8.893 -2.081
79 H TYR 11 H TYR 11 -0.028 2.629 -1.918
80 HA TYR 11 HA TYR 11 0.272 3.582 0.855
81 HB2 TYR 11 HB2 TYR 11 1.284 1.100 -0.460
82 HB3 TYR 11 HB3 TYR 11 2.297 1.880 0.744
83 HD1 TYR 11 HD2 TYR 11 -1.219 0.672 0.301
84 HD2 TYR 11 HD1 TYR 11 2.054 1.309 2.944
85 HE1 TYR 11 HE2 TYR 11 -2.462 -0.442 2.114
86 HE2 TYR 11 HE1 TYR 11 0.832 0.203 4.752
87 HH TYR 11 HH TYR 11 -1.989 -1.616 4.237
88 H PHE 12 H PHE 12 2.560 4.153 1.364
89 HA PHE 12 HA PHE 12 4.000 5.123 -1.001
90 HB2 PHE 12 HB2 PHE 12 2.690 6.897 0.315
91 HB3 PHE 12 HB3 PHE 12 3.897 6.670 1.579
92 HD1 PHE 12 HD1 PHE 12 3.257 7.850 -1.800
93 HD2 PHE 12 HD2 PHE 12 6.156 7.434 1.282
94 HE1 PHE 12 HE1 PHE 12 4.748 9.404 -2.999
95 HE2 PHE 12 HE2 PHE 12 7.662 8.989 0.089
96 HZ PHE 12 HZ PHE 12 6.948 9.977 -2.051
97 H CYS 13 H CYS 13 5.832 4.027 -1.076
98 HA CYS 13 HA CYS 13 6.950 2.786 1.262
99 HB2 CYS 13 HB2 CYS 13 7.111 1.579 -0.804
100 HB3 CYS 13 HB3 CYS 13 7.869 2.945 -1.608
101 H HIS 14 H HIS 14 8.660 3.401 2.445
102 HA HIS 14 HA HIS 14 9.637 6.105 2.100
103 HB2 HIS 14 HB2 HIS 14 9.746 4.045 4.236
104 HB3 HIS 14 HB3 HIS 14 11.069 5.210 4.187
105 HD1 HIS 14 HD1 HIS 14 10.651 7.151 5.626
106 HD2 HIS 14 HD2 HIS 14 7.122 5.609 4.066
107 HE1 HIS 14 HE1 HIS 14 8.813 8.582 6.573
108 HE2 HIS 14 HE2 HIS 14 6.716 7.769 5.430
109 H CYS 15 H CYS 15 10.724 2.882 1.491
110 HA CYS 15 HA CYS 15 13.508 3.529 1.289
111 HB2 CYS 15 HB2 CYS 15 12.567 1.250 1.811
112 HB3 CYS 15 HB3 CYS 15 12.061 1.141 0.133
113 HG CYS 15 HG CYS 15 15.334 1.717 0.839
114 H CYS 16 H CYS 16 10.804 3.224 -0.928
115 HA CYS 16 HA CYS 16 12.520 3.902 -3.204
116 HB2 CYS 16 HB2 CYS 16 9.584 3.183 -3.132
117 HB3 CYS 16 HB3 CYS 16 10.523 3.476 -4.581
118 H SER 17 H SER 17 10.498 5.340 -0.961
119 HA SER 17 HA SER 17 9.324 7.238 -0.712
120 HB2 SER 17 HB2 SER 17 10.409 9.317 -1.582
121 HB3 SER 17 HB3 SER 17 11.478 8.270 -0.654
122 HG SER 17 HG SER 17 11.564 7.620 -3.275
123 H VAL 18 H VAL 18 8.192 5.608 -2.602
124 HA VAL 18 HA VAL 18 6.849 7.580 -4.302
125 HB VAL 18 HB VAL 18 6.738 6.053 -6.189
126 HG11 VAL 18 HG11 VAL 18 9.590 6.400 -5.284
127 HG12 VAL 18 HG12 VAL 18 8.613 7.623 -6.099
128 HG13 VAL 18 HG13 VAL 18 9.044 6.134 -6.941
129 HG21 VAL 18 HG21 VAL 18 8.068 3.990 -6.235
130 HG22 VAL 18 HG22 VAL 18 6.803 3.946 -5.007
131 HG23 VAL 18 HG23 VAL 18 8.478 4.234 -4.538
132 H GLU 19 H GLU 19 4.797 6.726 -5.163
133 HA GLU 19 HA GLU 19 3.320 5.443 -3.034
134 HB2 GLU 19 HB2 GLU 19 2.502 7.452 -4.293
135 HB3 GLU 19 HB3 GLU 19 2.341 6.437 -5.718
136 HG2 GLU 19 HG2 GLU 19 0.984 5.339 -3.399
137 HG3 GLU 19 HG3 GLU 19 0.401 6.941 -3.840
138 H ILE 20 H ILE 20 2.509 3.417 -3.045
139 HA ILE 20 HA ILE 20 2.970 1.712 -5.402
140 HB ILE 20 HB ILE 20 3.924 -0.047 -3.933
141 HG12 ILE 20 HG12 ILE 20 4.736 1.790 -1.829
142 HG13 ILE 20 HG13 ILE 20 2.995 1.565 -1.888
143 HG21 ILE 20 HG21 ILE 20 5.476 2.532 -3.976
144 HG22 ILE 20 HG22 ILE 20 5.410 1.330 -5.265
145 HG23 ILE 20 HG23 ILE 20 6.158 0.926 -3.720
146 HD11 ILE 20 HD11 ILE 20 3.952 -0.000 -0.356
147 HD12 ILE 20 HD12 ILE 20 5.087 -0.571 -1.580
148 HD13 ILE 20 HD13 ILE 20 3.359 -0.874 -1.769
149 H VAL 21 H VAL 21 1.983 -0.402 -5.190
150 HA VAL 21 HA VAL 21 -0.192 -0.546 -3.218
151 HB VAL 21 HB VAL 21 -1.206 -0.484 -5.371
152 HG11 VAL 21 HG11 VAL 21 0.718 -2.628 -6.243
153 HG12 VAL 21 HG12 VAL 21 0.777 -0.929 -6.710
154 HG13 VAL 21 HG13 VAL 21 -0.580 -1.939 -7.219
155 HG21 VAL 21 HG21 VAL 21 -2.178 -2.137 -3.905
156 HG22 VAL 21 HG22 VAL 21 -1.024 -3.348 -4.460
157 HG23 VAL 21 HG23 VAL 21 -2.237 -2.713 -5.571
158 HA PRO 22 HA PRO 22 2.825 -3.419 -1.644
159 HB2 PRO 22 HB2 PRO 22 0.798 -3.968 0.418
160 HB3 PRO 22 HB3 PRO 22 2.434 -3.333 0.588
161 HG2 PRO 22 HG2 PRO 22 0.301 -1.777 0.941
162 HG3 PRO 22 HG3 PRO 22 1.778 -1.162 0.179
163 HD2 PRO 22 HD2 PRO 22 -0.786 -2.036 -1.097
164 HD3 PRO 22 HD3 PRO 22 0.231 -0.625 -1.459
165 H ARG 23 H ARG 23 3.206 -5.558 -1.646
166 HA ARG 23 HA ARG 23 1.234 -7.362 -2.698
167 HB2 ARG 23 HB2 ARG 23 4.003 -7.830 -1.563
168 HB3 ARG 23 HB3 ARG 23 3.028 -9.065 -2.344
169 HG2 ARG 23 HG2 ARG 23 3.073 -7.809 -4.426
170 HG3 ARG 23 HG3 ARG 23 4.001 -6.530 -3.646
171 HD2 ARG 23 HD2 ARG 23 5.817 -8.128 -3.232
172 HD3 ARG 23 HD3 ARG 23 4.887 -9.385 -4.045
173 HE ARG 23 HE ARG 23 5.040 -7.354 -5.866
174 HH11 ARG 23 HH11 ARG 23 7.389 -9.269 -4.107
175 HH12 ARG 23 HH12 ARG 23 8.603 -9.131 -5.340
176 HH21 ARG 23 HH21 ARG 23 6.619 -7.173 -7.474
177 HH22 ARG 23 HH22 ARG 23 8.166 -7.931 -7.260
178 H LEU 24 H LEU 24 -0.419 -7.879 -1.374
179 HA LEU 24 HA LEU 24 -0.436 -7.148 1.288
180 HB2 LEU 24 HB2 LEU 24 -2.269 -8.166 -0.614
181 HB3 LEU 24 HB3 LEU 24 -2.498 -9.004 0.899
182 HG LEU 24 HG LEU 24 -3.938 -7.027 0.696
183 HD11 LEU 24 HD11 LEU 24 -1.841 -6.779 2.836
184 HD12 LEU 24 HD12 LEU 24 -3.276 -7.800 2.906
185 HD13 LEU 24 HD13 LEU 24 -3.443 -6.045 2.867
186 HD21 LEU 24 HD21 LEU 24 -1.370 -5.457 0.751
187 HD22 LEU 24 HD22 LEU 24 -3.008 -4.798 0.745
188 HD23 LEU 24 HD23 LEU 24 -2.403 -5.670 -0.663
189 HA PRO 25 HA PRO 25 -0.271 -11.971 2.425
190 HB2 PRO 25 HB2 PRO 25 1.885 -12.578 0.456
191 HB3 PRO 25 HB3 PRO 25 0.622 -13.635 1.093
192 HG2 PRO 25 HG2 PRO 25 0.400 -12.652 -1.343
193 HG3 PRO 25 HG3 PRO 25 -1.017 -12.685 -0.273
194 HD2 PRO 25 HD2 PRO 25 0.749 -10.385 -1.006
195 HD3 PRO 25 HD3 PRO 25 -1.008 -10.439 -0.803
196 H ASP 26 H ASP 26 2.496 -10.091 1.251
197 HA ASP 26 HA ASP 26 3.944 -10.755 3.730
198 HB2 ASP 26 HB2 ASP 26 4.904 -9.676 1.082
199 HB3 ASP 26 HB3 ASP 26 5.917 -9.695 2.519
200 H TYR 27 H TYR 27 2.168 -8.389 2.210
201 HA TYR 27 HA TYR 27 1.683 -6.217 2.515
202 HB2 TYR 27 HB2 TYR 27 1.792 -7.348 5.047
203 HB3 TYR 27 HB3 TYR 27 2.765 -5.889 5.199
204 HD1 TYR 27 HD1 TYR 27 0.990 -4.507 2.902
205 HD2 TYR 27 HD2 TYR 27 0.166 -6.386 6.632
206 HE1 TYR 27 HE1 TYR 27 -1.063 -3.178 3.113
207 HE2 TYR 27 HE2 TYR 27 -1.892 -5.059 6.848
208 HH TYR 27 HH TYR 27 -2.824 -2.938 6.001
209 H ILE 28 H ILE 28 4.100 -6.660 1.233
210 HA ILE 28 HA ILE 28 5.841 -4.577 2.365
211 HB ILE 28 HB ILE 28 7.673 -5.657 1.032
212 HG12 ILE 28 HG12 ILE 28 5.633 -7.875 0.793
213 HG13 ILE 28 HG13 ILE 28 6.278 -6.917 -0.532
214 HG21 ILE 28 HG21 ILE 28 8.074 -7.424 2.662
215 HG22 ILE 28 HG22 ILE 28 6.392 -7.327 3.186
216 HG23 ILE 28 HG23 ILE 28 7.475 -5.957 3.436
217 HD11 ILE 28 HD11 ILE 28 8.493 -7.839 -0.112
218 HD12 ILE 28 HD12 ILE 28 7.314 -9.105 -0.441
219 HD13 ILE 28 HD13 ILE 28 7.843 -8.800 1.212
220 H CYS 29 H CYS 29 7.494 -4.174 0.288
221 HA CYS 29 HA CYS 29 5.866 -2.512 -1.445
222 HB2 CYS 29 HB2 CYS 29 7.914 -1.686 -0.284
223 HB3 CYS 29 HB3 CYS 29 8.864 -2.837 -1.195
224 HA PRO 30 HA PRO 30 6.328 -5.434 -4.788
225 HB2 PRO 30 HB2 PRO 30 5.372 -3.945 -6.807
226 HB3 PRO 30 HB3 PRO 30 4.315 -4.533 -5.519
227 HG2 PRO 30 HG2 PRO 30 5.462 -1.815 -5.942
228 HG3 PRO 30 HG3 PRO 30 3.870 -2.276 -5.320
229 HD2 PRO 30 HD2 PRO 30 6.054 -1.504 -3.781
230 HD3 PRO 30 HD3 PRO 30 4.633 -2.391 -3.181
231 H ARG 31 H ARG 31 8.024 -2.584 -4.373
232 HA ARG 31 HA ARG 31 9.635 -2.901 -6.787
233 HB2 ARG 31 HB2 ARG 31 10.019 -0.673 -4.850
234 HB3 ARG 31 HB3 ARG 31 10.186 -0.673 -6.594
235 HG2 ARG 31 HG2 ARG 31 7.682 -0.916 -6.688
236 HG3 ARG 31 HG3 ARG 31 7.675 -0.583 -4.969
237 HD2 ARG 31 HD2 ARG 31 7.255 1.410 -6.357
238 HD3 ARG 31 HD3 ARG 31 8.659 1.558 -5.310
239 HE ARG 31 HE ARG 31 9.990 0.984 -7.366
240 HH11 ARG 31 HH11 ARG 31 6.829 2.465 -7.638
241 HH12 ARG 31 HH12 ARG 31 7.224 3.327 -9.087
242 HH21 ARG 31 HH21 ARG 31 10.501 2.103 -9.284
243 HH22 ARG 31 HH22 ARG 31 9.308 3.120 -10.028
244 H CYS 32 H CYS 32 10.008 -2.585 -3.231
245 HA CYS 32 HA CYS 32 12.741 -3.608 -3.608
246 HB2 CYS 32 HB2 CYS 32 13.537 -2.215 -1.801
247 HB3 CYS 32 HB3 CYS 32 12.741 -1.215 -3.008
248 H GLU 33 H GLU 33 9.777 -4.238 -2.210
249 HA GLU 33 HA GLU 33 8.998 -5.768 -0.722
250 HB2 GLU 33 HB2 GLU 33 11.688 -6.997 -1.332
251 HB3 GLU 33 HB3 GLU 33 10.426 -7.810 -0.422
252 HG2 GLU 33 HG2 GLU 33 8.932 -7.612 -2.371
253 HG3 GLU 33 HG3 GLU 33 10.255 -6.878 -3.276
254 H SER 34 H SER 34 10.119 -3.495 0.449
255 HA SER 34 HA SER 34 11.886 -4.328 2.576
256 HB2 SER 34 HB2 SER 34 12.493 -2.240 1.724
257 HB3 SER 34 HB3 SER 34 10.822 -1.689 1.621
258 HG SER 34 HG SER 34 12.573 -1.712 3.783
259 H GLY 35 H GLY 35 8.714 -2.689 2.452
260 HA2 GLY 35 HA2 GLY 35 6.935 -3.500 3.922
261 HA3 GLY 35 HA3 GLY 35 8.188 -3.784 5.119
262 H PHE 36 H PHE 36 9.526 -1.244 4.291
263 HA PHE 36 HA PHE 36 8.241 0.566 6.064
264 HB2 PHE 36 HB2 PHE 36 10.538 0.763 4.148
265 HB3 PHE 36 HB3 PHE 36 9.905 2.210 4.920
266 HD1 PHE 36 HD1 PHE 36 11.555 -1.027 5.520
267 HD2 PHE 36 HD2 PHE 36 10.306 2.678 7.177
268 HE1 PHE 36 HE1 PHE 36 12.922 -1.468 7.518
269 HE2 PHE 36 HE2 PHE 36 11.668 2.249 9.186
270 HZ PHE 36 HZ PHE 36 12.979 0.172 9.355
271 H ILE 37 H ILE 37 6.092 0.678 5.185
272 HA ILE 37 HA ILE 37 5.884 2.597 2.982
273 HB ILE 37 HB ILE 37 3.925 1.378 2.093
274 HG12 ILE 37 HG12 ILE 37 4.740 -0.659 4.158
275 HG13 ILE 37 HG13 ILE 37 3.176 0.093 3.949
276 HG21 ILE 37 HG21 ILE 37 5.985 1.118 0.954
277 HG22 ILE 37 HG22 ILE 37 5.238 -0.479 1.050
278 HG23 ILE 37 HG23 ILE 37 6.563 -0.056 2.136
279 HD11 ILE 37 HD11 ILE 37 2.858 -1.125 1.868
280 HD12 ILE 37 HD12 ILE 37 3.147 -2.217 3.221
281 HD13 ILE 37 HD13 ILE 37 4.438 -1.882 2.066
282 H GLU 38 H GLU 38 4.011 3.886 3.010
283 HA GLU 38 HA GLU 38 2.638 3.925 5.610
284 HB2 GLU 38 HB2 GLU 38 3.355 6.192 3.764
285 HB3 GLU 38 HB3 GLU 38 2.290 6.371 5.155
286 HG2 GLU 38 HG2 GLU 38 4.188 5.468 6.552
287 HG3 GLU 38 HG3 GLU 38 5.204 5.662 5.126
288 H GLU 39 H GLU 39 0.525 3.677 5.641
289 HA GLU 39 HA GLU 39 -0.920 3.254 3.192
290 HB2 GLU 39 HB2 GLU 39 -1.146 1.949 5.381
291 HB3 GLU 39 HB3 GLU 39 -2.029 3.330 5.999
292 HG2 GLU 39 HG2 GLU 39 -2.882 1.942 3.492
293 HG3 GLU 39 HG3 GLU 39 -3.333 1.326 5.077
294 H LEU 40 H LEU 40 -1.801 4.845 2.078
295 HA LEU 40 HA LEU 40 -1.884 7.503 3.179
296 HB2 LEU 40 HB2 LEU 40 -2.632 6.484 0.451
297 HB3 LEU 40 HB3 LEU 40 -2.524 8.174 0.897
298 HG LEU 40 HG LEU 40 -0.221 6.217 0.844
299 HD11 LEU 40 HD11 LEU 40 -0.942 8.487 -0.991
300 HD12 LEU 40 HD12 LEU 40 -0.956 6.767 -1.378
301 HD13 LEU 40 HD13 LEU 40 0.569 7.579 -1.032
302 HD21 LEU 40 HD21 LEU 40 -0.296 9.168 1.450
303 HD22 LEU 40 HD22 LEU 40 1.170 8.219 1.206
304 HD23 LEU 40 HD23 LEU 40 0.113 7.872 2.575
Start of MODEL 17
1 H1 GLY -1 H1 GLY -1 -10.701 2.191 14.772
2 H2 GLY -1 H2 GLY -1 -12.330 1.927 15.127
3 H3 GLY -1 H3 GLY -1 -11.784 3.485 14.774
4 HA2 GLY -1 HA3 GLY -1 -11.254 2.830 12.519
5 HA3 GLY -1 HA2 GLY -1 -11.806 1.202 12.883
6 H SER 0 H SER 0 -12.685 3.863 11.298
7 HA SER 0 HA SER 0 -15.540 3.506 11.921
8 HB2 SER 0 HB2 SER 0 -14.128 6.011 10.971
9 HB3 SER 0 HB3 SER 0 -15.872 5.852 11.193
10 HG SER 0 HG SER 0 -15.485 5.435 13.403
11 H MET 1 H MET 1 -15.860 1.908 10.383
12 HA MET 1 HA MET 1 -15.642 2.811 7.590
13 HB2 MET 1 HB2 MET 1 -15.470 -0.032 8.608
14 HB3 MET 1 HB3 MET 1 -15.427 0.450 6.922
15 HG2 MET 1 HG2 MET 1 -13.207 0.058 7.441
16 HG3 MET 1 HG3 MET 1 -13.356 1.809 7.555
17 HE1 MET 1 HE1 MET 1 -13.106 -1.560 9.486
18 HE2 MET 1 HE2 MET 1 -14.580 -0.907 10.200
19 HE3 MET 1 HE3 MET 1 -13.117 -1.049 11.172
20 H ALA 2 H ALA 2 -17.521 2.969 6.533
21 HA ALA 2 HA ALA 2 -19.778 1.309 7.390
22 HB1 ALA 2 HB1 ALA 2 -19.984 4.297 7.046
23 HB2 ALA 2 HB2 ALA 2 -19.978 3.447 8.591
24 HB3 ALA 2 HB3 ALA 2 -21.298 3.192 7.450
25 H GLU 3 H GLU 3 -18.036 1.221 5.097
26 HA GLU 3 HA GLU 3 -19.788 2.056 2.921
27 HB2 GLU 3 HB2 GLU 3 -16.940 1.064 2.949
28 HB3 GLU 3 HB3 GLU 3 -17.853 1.285 1.467
29 HG2 GLU 3 HG2 GLU 3 -16.451 3.181 1.808
30 HG3 GLU 3 HG3 GLU 3 -18.125 3.672 2.033
31 H ALA 4 H ALA 4 -17.651 -0.732 2.978
32 HA ALA 4 HA ALA 4 -19.787 -2.638 3.243
33 HB1 ALA 4 HB1 ALA 4 -20.038 -2.022 0.880
34 HB2 ALA 4 HB2 ALA 4 -19.494 -3.691 1.061
35 HB3 ALA 4 HB3 ALA 4 -18.348 -2.434 0.597
36 H SER 5 H SER 5 -16.497 -2.187 2.007
37 HA SER 5 HA SER 5 -15.294 -3.653 4.106
38 HB2 SER 5 HB2 SER 5 -16.288 -5.536 2.757
39 HB3 SER 5 HB3 SER 5 -15.267 -5.041 1.409
40 HG SER 5 HG SER 5 -13.932 -5.404 3.802
41 HA PRO 6 HA PRO 6 -12.820 -0.479 1.724
42 HB2 PRO 6 HB2 PRO 6 -11.882 0.043 4.488
43 HB3 PRO 6 HB3 PRO 6 -12.420 1.181 3.248
44 HG2 PRO 6 HG2 PRO 6 -13.958 0.617 5.352
45 HG3 PRO 6 HG3 PRO 6 -14.661 0.863 3.741
46 HD2 PRO 6 HD2 PRO 6 -14.145 -1.690 5.218
47 HD3 PRO 6 HD3 PRO 6 -15.533 -1.232 4.208
48 H HIS 7 H HIS 7 -10.807 -0.840 0.982
49 HA HIS 7 HA HIS 7 -9.039 -2.565 2.555
50 HB2 HIS 7 HB2 HIS 7 -8.403 -3.816 0.537
51 HB3 HIS 7 HB3 HIS 7 -10.094 -4.025 0.928
52 HD1 HIS 7 HD1 HIS 7 -7.848 -3.015 -1.770
53 HD2 HIS 7 HD2 HIS 7 -11.868 -2.555 -0.833
54 HE1 HIS 7 HE1 HIS 7 -8.964 -2.316 -3.911
55 HE2 HIS 7 HE2 HIS 7 -11.419 -2.200 -3.353
56 HA PRO 8 HA PRO 8 -6.205 0.733 1.557
57 HB2 PRO 8 HB2 PRO 8 -4.155 -1.026 2.687
58 HB3 PRO 8 HB3 PRO 8 -4.716 0.545 3.263
59 HG2 PRO 8 HG2 PRO 8 -5.252 -1.755 4.570
60 HG3 PRO 8 HG3 PRO 8 -6.368 -0.377 4.567
61 HD2 PRO 8 HD2 PRO 8 -6.475 -2.912 2.979
62 HD3 PRO 8 HD3 PRO 8 -7.791 -2.007 3.759
63 H GLY 9 H GLY 9 -4.984 1.114 -0.202
64 HA2 GLY 9 HA2 GLY 9 -3.628 -1.143 -1.487
65 HA3 GLY 9 HA3 GLY 9 -4.775 -0.208 -2.435
66 H ARG 10 H ARG 10 -4.252 2.321 -1.488
67 HA ARG 10 HA ARG 10 -1.798 2.931 -2.839
68 HB2 ARG 10 HB2 ARG 10 -2.396 5.296 -2.234
69 HB3 ARG 10 HB3 ARG 10 -3.612 4.444 -3.174
70 HG2 ARG 10 HG2 ARG 10 -5.058 4.263 -1.385
71 HG3 ARG 10 HG3 ARG 10 -3.785 4.511 -0.193
72 HD2 ARG 10 HD2 ARG 10 -4.488 6.625 -0.111
73 HD3 ARG 10 HD3 ARG 10 -3.738 6.820 -1.691
74 HE ARG 10 HE ARG 10 -5.974 6.209 -2.623
75 HH11 ARG 10 HH11 ARG 10 -5.687 7.532 0.610
76 HH12 ARG 10 HH12 ARG 10 -7.259 8.276 0.575
77 HH21 ARG 10 HH21 ARG 10 -8.040 7.172 -2.662
78 HH22 ARG 10 HH22 ARG 10 -8.598 8.072 -1.290
79 H TYR 11 H TYR 11 0.069 2.647 -1.861
80 HA TYR 11 HA TYR 11 0.358 3.648 0.895
81 HB2 TYR 11 HB2 TYR 11 1.439 1.176 -0.391
82 HB3 TYR 11 HB3 TYR 11 2.395 1.982 0.845
83 HD1 TYR 11 HD1 TYR 11 -1.104 0.745 0.314
84 HD2 TYR 11 HD2 TYR 11 2.131 1.325 3.013
85 HE1 TYR 11 HE1 TYR 11 -2.353 -0.444 2.069
86 HE2 TYR 11 HE2 TYR 11 0.902 0.145 4.769
87 HH TYR 11 HH TYR 11 -1.825 -1.732 4.153
88 H PHE 12 H PHE 12 2.598 4.341 1.381
89 HA PHE 12 HA PHE 12 4.053 5.215 -1.018
90 HB2 PHE 12 HB2 PHE 12 2.731 7.026 0.256
91 HB3 PHE 12 HB3 PHE 12 3.968 6.864 1.496
92 HD1 PHE 12 HD2 PHE 12 3.279 7.833 -1.957
93 HD2 PHE 12 HD1 PHE 12 6.178 7.704 1.149
94 HE1 PHE 12 HE2 PHE 12 4.721 9.360 -3.245
95 HE2 PHE 12 HE1 PHE 12 7.636 9.225 -0.136
96 HZ PHE 12 HZ PHE 12 6.898 10.060 -2.333
97 H CYS 13 H CYS 13 5.887 4.140 -1.049
98 HA CYS 13 HA CYS 13 6.946 2.897 1.305
99 HB2 CYS 13 HB2 CYS 13 7.114 1.698 -0.764
100 HB3 CYS 13 HB3 CYS 13 7.925 3.048 -1.543
101 H HIS 14 H HIS 14 8.542 3.544 2.588
102 HA HIS 14 HA HIS 14 9.646 6.196 2.245
103 HB2 HIS 14 HB2 HIS 14 9.691 4.118 4.397
104 HB3 HIS 14 HB3 HIS 14 10.916 5.383 4.414
105 HD1 HIS 14 HD1 HIS 14 10.115 6.756 6.354
106 HD2 HIS 14 HD2 HIS 14 7.107 5.979 3.596
107 HE1 HIS 14 HE1 HIS 14 8.167 8.175 7.062
108 HE2 HIS 14 HE2 HIS 14 6.403 7.794 5.300
109 H CYS 15 H CYS 15 10.515 3.019 1.467
110 HA CYS 15 HA CYS 15 13.371 3.482 1.445
111 HB2 CYS 15 HB2 CYS 15 11.721 1.143 0.465
112 HB3 CYS 15 HB3 CYS 15 13.470 1.156 0.610
113 HG CYS 15 HG CYS 15 12.860 -0.280 2.770
114 H CYS 16 H CYS 16 10.698 3.449 -0.807
115 HA CYS 16 HA CYS 16 12.543 3.935 -3.048
116 HB2 CYS 16 HB2 CYS 16 9.602 3.236 -3.074
117 HB3 CYS 16 HB3 CYS 16 10.580 3.534 -4.502
118 H SER 17 H SER 17 10.443 5.465 -0.939
119 HA SER 17 HA SER 17 9.290 7.386 -0.810
120 HB2 SER 17 HB2 SER 17 10.416 9.411 -1.696
121 HB3 SER 17 HB3 SER 17 11.486 8.370 -0.766
122 HG SER 17 HG SER 17 11.606 7.618 -3.320
123 H VAL 18 H VAL 18 8.226 5.660 -2.669
124 HA VAL 18 HA VAL 18 6.930 7.572 -4.474
125 HB VAL 18 HB VAL 18 6.798 5.942 -6.276
126 HG11 VAL 18 HG11 VAL 18 9.150 5.883 -6.971
127 HG12 VAL 18 HG12 VAL 18 9.630 6.356 -5.340
128 HG13 VAL 18 HG13 VAL 18 8.676 7.458 -6.336
129 HG21 VAL 18 HG21 VAL 18 8.054 3.849 -6.214
130 HG22 VAL 18 HG22 VAL 18 6.826 3.906 -4.950
131 HG23 VAL 18 HG23 VAL 18 8.519 4.178 -4.547
132 H GLU 19 H GLU 19 4.863 6.739 -5.302
133 HA GLU 19 HA GLU 19 3.360 5.598 -3.103
134 HB2 GLU 19 HB2 GLU 19 2.741 7.585 -4.754
135 HB3 GLU 19 HB3 GLU 19 2.112 6.272 -5.733
136 HG2 GLU 19 HG2 GLU 19 0.810 5.573 -3.707
137 HG3 GLU 19 HG3 GLU 19 1.297 7.087 -2.970
138 H ILE 20 H ILE 20 2.636 3.545 -3.025
139 HA ILE 20 HA ILE 20 3.045 1.832 -5.389
140 HB ILE 20 HB ILE 20 3.991 0.074 -3.894
141 HG12 ILE 20 HG12 ILE 20 4.813 1.990 -1.844
142 HG13 ILE 20 HG13 ILE 20 3.082 1.682 -1.864
143 HG21 ILE 20 HG21 ILE 20 5.474 1.398 -5.275
144 HG22 ILE 20 HG22 ILE 20 6.236 1.039 -3.725
145 HG23 ILE 20 HG23 ILE 20 5.559 2.640 -4.027
146 HD11 ILE 20 HD11 ILE 20 3.566 -0.735 -1.716
147 HD12 ILE 20 HD12 ILE 20 4.138 0.190 -0.330
148 HD13 ILE 20 HD13 ILE 20 5.279 -0.345 -1.563
149 H VAL 21 H VAL 21 2.074 -0.277 -5.186
150 HA VAL 21 HA VAL 21 -0.076 -0.458 -3.188
151 HB VAL 21 HB VAL 21 -1.144 -0.404 -5.309
152 HG11 VAL 21 HG11 VAL 21 0.813 -0.770 -6.704
153 HG12 VAL 21 HG12 VAL 21 -0.514 -1.826 -7.190
154 HG13 VAL 21 HG13 VAL 21 0.831 -2.474 -6.250
155 HG21 VAL 21 HG21 VAL 21 -1.990 -2.136 -3.815
156 HG22 VAL 21 HG22 VAL 21 -0.861 -3.299 -4.513
157 HG23 VAL 21 HG23 VAL 21 -2.153 -2.621 -5.502
158 HA PRO 22 HA PRO 22 2.977 -3.314 -1.632
159 HB2 PRO 22 HB2 PRO 22 0.887 -3.896 0.367
160 HB3 PRO 22 HB3 PRO 22 2.530 -3.312 0.599
161 HG2 PRO 22 HG2 PRO 22 0.441 -1.706 0.942
162 HG3 PRO 22 HG3 PRO 22 1.947 -1.114 0.216
163 HD2 PRO 22 HD2 PRO 22 -0.621 -1.881 -1.112
164 HD3 PRO 22 HD3 PRO 22 0.450 -0.505 -1.443
165 H ARG 23 H ARG 23 3.363 -5.473 -1.575
166 HA ARG 23 HA ARG 23 1.459 -7.281 -2.737
167 HB2 ARG 23 HB2 ARG 23 4.133 -7.760 -1.393
168 HB3 ARG 23 HB3 ARG 23 3.183 -9.017 -2.169
169 HG2 ARG 23 HG2 ARG 23 3.383 -7.865 -4.303
170 HG3 ARG 23 HG3 ARG 23 4.308 -6.578 -3.532
171 HD2 ARG 23 HD2 ARG 23 6.048 -8.167 -2.939
172 HD3 ARG 23 HD3 ARG 23 5.110 -9.480 -3.648
173 HE ARG 23 HE ARG 23 5.474 -7.538 -5.615
174 HH11 ARG 23 HH11 ARG 23 7.404 -9.793 -3.755
175 HH12 ARG 23 HH12 ARG 23 8.610 -9.969 -4.987
176 HH21 ARG 23 HH21 ARG 23 7.058 -7.777 -7.240
177 HH22 ARG 23 HH22 ARG 23 8.416 -8.826 -6.972
178 H LEU 24 H LEU 24 -0.291 -7.776 -1.562
179 HA LEU 24 HA LEU 24 -0.529 -6.960 1.070
180 HB2 LEU 24 HB2 LEU 24 -2.210 -7.881 -0.965
181 HB3 LEU 24 HB3 LEU 24 -2.561 -8.836 0.455
182 HG LEU 24 HG LEU 24 -3.975 -6.815 0.243
183 HD11 LEU 24 HD11 LEU 24 -3.615 -7.836 2.419
184 HD12 LEU 24 HD12 LEU 24 -3.746 -6.084 2.555
185 HD13 LEU 24 HD13 LEU 24 -2.164 -6.859 2.642
186 HD21 LEU 24 HD21 LEU 24 -3.058 -4.630 0.607
187 HD22 LEU 24 HD22 LEU 24 -2.213 -5.377 -0.750
188 HD23 LEU 24 HD23 LEU 24 -1.442 -5.300 0.835
189 HA PRO 25 HA PRO 25 -0.475 -11.743 2.354
190 HB2 PRO 25 HB2 PRO 25 1.679 -12.452 0.411
191 HB3 PRO 25 HB3 PRO 25 0.396 -13.468 1.082
192 HG2 PRO 25 HG2 PRO 25 0.179 -12.567 -1.377
193 HG3 PRO 25 HG3 PRO 25 -1.232 -12.509 -0.301
194 HD2 PRO 25 HD2 PRO 25 0.631 -10.303 -1.104
195 HD3 PRO 25 HD3 PRO 25 -1.132 -10.282 -0.934
196 H ASP 26 H ASP 26 2.180 -9.692 1.346
197 HA ASP 26 HA ASP 26 3.693 -10.558 3.728
198 HB2 ASP 26 HB2 ASP 26 4.647 -9.521 1.070
199 HB3 ASP 26 HB3 ASP 26 5.682 -9.514 2.491
200 H TYR 27 H TYR 27 1.997 -8.023 2.314
201 HA TYR 27 HA TYR 27 1.768 -5.801 2.643
202 HB2 TYR 27 HB2 TYR 27 2.360 -6.897 5.299
203 HB3 TYR 27 HB3 TYR 27 2.701 -5.179 5.141
204 HD1 TYR 27 HD1 TYR 27 0.555 -4.298 3.322
205 HD2 TYR 27 HD2 TYR 27 0.431 -7.017 6.595
206 HE1 TYR 27 HE1 TYR 27 -1.814 -3.757 3.672
207 HE2 TYR 27 HE2 TYR 27 -1.946 -6.488 6.947
208 HH TYR 27 HH TYR 27 -3.484 -4.560 6.467
209 H ILE 28 H ILE 28 4.143 -6.587 1.342
210 HA ILE 28 HA ILE 28 6.066 -4.610 2.343
211 HB ILE 28 HB ILE 28 7.742 -5.764 0.907
212 HG12 ILE 28 HG12 ILE 28 5.560 -7.849 0.659
213 HG13 ILE 28 HG13 ILE 28 6.183 -6.852 -0.647
214 HG21 ILE 28 HG21 ILE 28 8.061 -7.664 2.427
215 HG22 ILE 28 HG22 ILE 28 6.429 -7.421 3.055
216 HG23 ILE 28 HG23 ILE 28 7.658 -6.177 3.284
217 HD11 ILE 28 HD11 ILE 28 7.099 -9.088 -0.741
218 HD12 ILE 28 HD12 ILE 28 7.730 -8.918 0.895
219 HD13 ILE 28 HD13 ILE 28 8.368 -7.912 -0.405
220 H CYS 29 H CYS 29 7.575 -4.116 0.300
221 HA CYS 29 HA CYS 29 5.902 -2.466 -1.409
222 HB2 CYS 29 HB2 CYS 29 7.920 -1.603 -0.240
223 HB3 CYS 29 HB3 CYS 29 8.902 -2.734 -1.145
224 HA PRO 30 HA PRO 30 6.388 -5.331 -4.790
225 HB2 PRO 30 HB2 PRO 30 5.475 -3.777 -6.790
226 HB3 PRO 30 HB3 PRO 30 4.399 -4.442 -5.559
227 HG2 PRO 30 HG2 PRO 30 5.529 -1.688 -5.799
228 HG3 PRO 30 HG3 PRO 30 3.904 -2.190 -5.305
229 HD2 PRO 30 HD2 PRO 30 5.909 -1.465 -3.564
230 HD3 PRO 30 HD3 PRO 30 4.542 -2.513 -3.131
231 H ARG 31 H ARG 31 7.955 -2.316 -4.451
232 HA ARG 31 HA ARG 31 9.634 -2.711 -6.790
233 HB2 ARG 31 HB2 ARG 31 9.927 -0.433 -4.875
234 HB3 ARG 31 HB3 ARG 31 10.228 -0.479 -6.603
235 HG2 ARG 31 HG2 ARG 31 7.539 -1.025 -6.383
236 HG3 ARG 31 HG3 ARG 31 7.826 0.194 -5.149
237 HD2 ARG 31 HD2 ARG 31 7.248 1.280 -7.182
238 HD3 ARG 31 HD3 ARG 31 8.944 1.583 -6.850
239 HE ARG 31 HE ARG 31 9.175 -0.486 -8.461
240 HH11 ARG 31 HH11 ARG 31 7.030 2.267 -8.768
241 HH12 ARG 31 HH12 ARG 31 7.025 2.225 -10.500
242 HH21 ARG 31 HH21 ARG 31 9.169 -0.542 -10.730
243 HH22 ARG 31 HH22 ARG 31 8.239 0.623 -11.620
244 H CYS 32 H CYS 32 9.972 -2.492 -3.222
245 HA CYS 32 HA CYS 32 12.719 -3.475 -3.623
246 HB2 CYS 32 HB2 CYS 32 13.518 -2.148 -1.774
247 HB3 CYS 32 HB3 CYS 32 12.724 -1.108 -2.947
248 H GLU 33 H GLU 33 9.758 -4.126 -2.191
249 HA GLU 33 HA GLU 33 9.010 -5.792 -0.839
250 HB2 GLU 33 HB2 GLU 33 11.742 -6.948 -1.414
251 HB3 GLU 33 HB3 GLU 33 10.392 -7.835 -0.724
252 HG2 GLU 33 HG2 GLU 33 9.116 -7.567 -2.741
253 HG3 GLU 33 HG3 GLU 33 10.359 -6.526 -3.433
254 H SER 34 H SER 34 10.228 -3.545 0.425
255 HA SER 34 HA SER 34 11.908 -4.598 2.538
256 HB2 SER 34 HB2 SER 34 12.720 -2.583 1.573
257 HB3 SER 34 HB3 SER 34 11.157 -1.784 1.733
258 HG SER 34 HG SER 34 12.501 -2.760 4.013
259 H GLY 35 H GLY 35 8.972 -2.557 2.428
260 HA2 GLY 35 HA2 GLY 35 7.068 -3.441 3.748
261 HA3 GLY 35 HA3 GLY 35 8.250 -3.764 5.001
262 H PHE 36 H PHE 36 9.621 -1.173 4.298
263 HA PHE 36 HA PHE 36 8.205 0.511 6.111
264 HB2 PHE 36 HB2 PHE 36 10.612 0.899 4.357
265 HB3 PHE 36 HB3 PHE 36 9.893 2.262 5.204
266 HD1 PHE 36 HD1 PHE 36 10.805 -1.262 6.042
267 HD2 PHE 36 HD2 PHE 36 10.947 2.847 7.123
268 HE1 PHE 36 HE1 PHE 36 12.072 -1.846 8.068
269 HE2 PHE 36 HE2 PHE 36 12.215 2.274 9.155
270 HZ PHE 36 HZ PHE 36 12.779 -0.077 9.629
271 H ILE 37 H ILE 37 6.143 0.812 5.266
272 HA ILE 37 HA ILE 37 5.983 2.661 3.005
273 HB ILE 37 HB ILE 37 4.001 1.430 2.145
274 HG12 ILE 37 HG12 ILE 37 4.842 -0.572 4.239
275 HG13 ILE 37 HG13 ILE 37 3.271 0.168 4.027
276 HG21 ILE 37 HG21 ILE 37 6.640 -0.017 2.202
277 HG22 ILE 37 HG22 ILE 37 6.083 1.162 1.012
278 HG23 ILE 37 HG23 ILE 37 5.317 -0.425 1.109
279 HD11 ILE 37 HD11 ILE 37 4.527 -1.806 2.135
280 HD12 ILE 37 HD12 ILE 37 2.918 -1.100 1.991
281 HD13 ILE 37 HD13 ILE 37 3.291 -2.174 3.338
282 H GLU 38 H GLU 38 4.039 3.914 2.945
283 HA GLU 38 HA GLU 38 2.698 4.078 5.561
284 HB2 GLU 38 HB2 GLU 38 3.562 6.174 3.623
285 HB3 GLU 38 HB3 GLU 38 2.162 6.479 4.642
286 HG2 GLU 38 HG2 GLU 38 3.622 5.934 6.614
287 HG3 GLU 38 HG3 GLU 38 4.989 5.951 5.498
288 H GLU 39 H GLU 39 0.646 3.539 5.584
289 HA GLU 39 HA GLU 39 -0.890 3.171 3.207
290 HB2 GLU 39 HB2 GLU 39 -1.098 1.884 5.393
291 HB3 GLU 39 HB3 GLU 39 -1.888 3.299 6.056
292 HG2 GLU 39 HG2 GLU 39 -2.908 1.929 3.596
293 HG3 GLU 39 HG3 GLU 39 -3.347 1.391 5.216
294 H LEU 40 H LEU 40 -1.704 4.796 2.084
295 HA LEU 40 HA LEU 40 -1.690 7.450 3.199
296 HB2 LEU 40 HB2 LEU 40 -2.363 6.452 0.445
297 HB3 LEU 40 HB3 LEU 40 -2.268 8.142 0.891
298 HG LEU 40 HG LEU 40 0.039 6.195 0.990
299 HD11 LEU 40 HD11 LEU 40 -0.648 6.649 -1.284
300 HD12 LEU 40 HD12 LEU 40 0.889 7.433 -0.923
301 HD13 LEU 40 HD13 LEU 40 -0.594 8.383 -0.969
302 HD21 LEU 40 HD21 LEU 40 -0.079 9.176 1.428
303 HD22 LEU 40 HD22 LEU 40 1.398 8.219 1.319
304 HD23 LEU 40 HD23 LEU 40 0.270 7.951 2.648
Start of MODEL 18
1 H1 GLY -1 H1 GLY -1 -16.675 12.331 2.489
2 H2 GLY -1 H2 GLY -1 -17.335 10.888 3.069
3 H3 GLY -1 H3 GLY -1 -18.344 12.203 2.734
4 HA2 GLY -1 HA3 GLY -1 -18.522 10.562 0.988
5 HA3 GLY -1 HA2 GLY -1 -17.814 12.053 0.387
6 H SER 0 H SER 0 -17.090 10.544 -1.335
7 HA SER 0 HA SER 0 -14.523 9.331 -0.575
8 HB2 SER 0 HB2 SER 0 -16.260 7.595 -1.036
9 HB3 SER 0 HB3 SER 0 -16.433 8.250 -2.662
10 HG SER 0 HG SER 0 -14.641 6.491 -1.755
11 H MET 1 H MET 1 -13.175 10.891 -1.303
12 HA MET 1 HA MET 1 -13.606 12.095 -3.916
13 HB2 MET 1 HB2 MET 1 -11.637 13.484 -3.355
14 HB3 MET 1 HB3 MET 1 -12.904 13.581 -2.140
15 HG2 MET 1 HG2 MET 1 -11.651 11.975 -0.753
16 HG3 MET 1 HG3 MET 1 -10.361 11.984 -1.955
17 HE1 MET 1 HE1 MET 1 -8.708 12.606 0.139
18 HE2 MET 1 HE2 MET 1 -10.108 12.650 1.210
19 HE3 MET 1 HE3 MET 1 -8.979 14.005 1.176
20 H ALA 2 H ALA 2 -12.448 9.272 -2.990
21 HA ALA 2 HA ALA 2 -11.167 8.739 -5.448
22 HB1 ALA 2 HB1 ALA 2 -8.922 8.225 -4.673
23 HB2 ALA 2 HB2 ALA 2 -9.339 8.754 -3.044
24 HB3 ALA 2 HB3 ALA 2 -9.291 9.921 -4.365
25 H GLU 3 H GLU 3 -10.873 7.664 -2.080
26 HA GLU 3 HA GLU 3 -12.545 5.416 -2.373
27 HB2 GLU 3 HB2 GLU 3 -10.562 4.653 -3.717
28 HB3 GLU 3 HB3 GLU 3 -9.589 4.772 -2.261
29 HG2 GLU 3 HG2 GLU 3 -10.876 3.049 -1.198
30 HG3 GLU 3 HG3 GLU 3 -11.988 2.986 -2.563
31 H ALA 4 H ALA 4 -9.675 4.839 -0.555
32 HA ALA 4 HA ALA 4 -9.225 4.786 1.668
33 HB1 ALA 4 HB1 ALA 4 -9.345 6.929 2.793
34 HB2 ALA 4 HB2 ALA 4 -10.451 7.533 1.560
35 HB3 ALA 4 HB3 ALA 4 -8.789 7.130 1.132
36 H SER 5 H SER 5 -11.200 3.164 1.596
37 HA SER 5 HA SER 5 -12.435 3.438 4.100
38 HB2 SER 5 HB2 SER 5 -13.915 5.019 2.927
39 HB3 SER 5 HB3 SER 5 -14.353 3.756 1.780
40 HG SER 5 HG SER 5 -14.913 3.881 4.557
41 HA PRO 6 HA PRO 6 -14.220 -0.577 2.051
42 HB2 PRO 6 HB2 PRO 6 -13.176 -1.237 -0.405
43 HB3 PRO 6 HB3 PRO 6 -14.733 -0.440 -0.162
44 HG2 PRO 6 HG2 PRO 6 -12.082 0.749 -0.866
45 HG3 PRO 6 HG3 PRO 6 -13.692 1.144 -1.498
46 HD2 PRO 6 HD2 PRO 6 -12.495 2.683 0.341
47 HD3 PRO 6 HD3 PRO 6 -14.247 2.412 0.361
48 H HIS 7 H HIS 7 -10.910 0.338 1.231
49 HA HIS 7 HA HIS 7 -9.742 -1.646 2.863
50 HB2 HIS 7 HB2 HIS 7 -8.693 -3.020 1.068
51 HB3 HIS 7 HB3 HIS 7 -10.431 -3.217 1.146
52 HD1 HIS 7 HD1 HIS 7 -11.676 -2.905 -0.988
53 HD2 HIS 7 HD2 HIS 7 -7.849 -1.297 -1.158
54 HE1 HIS 7 HE1 HIS 7 -11.361 -2.165 -3.366
55 HE2 HIS 7 HE2 HIS 7 -9.071 -1.124 -3.433
56 HA PRO 8 HA PRO 8 -6.301 1.066 1.954
57 HB2 PRO 8 HB2 PRO 8 -4.315 -0.371 3.115
58 HB3 PRO 8 HB3 PRO 8 -5.483 0.570 4.043
59 HG2 PRO 8 HG2 PRO 8 -5.304 -2.356 3.633
60 HG3 PRO 8 HG3 PRO 8 -5.933 -1.448 5.015
61 HD2 PRO 8 HD2 PRO 8 -7.445 -2.675 3.012
62 HD3 PRO 8 HD3 PRO 8 -8.031 -1.484 4.181
63 H GLY 9 H GLY 9 -4.943 1.259 0.236
64 HA2 GLY 9 HA2 GLY 9 -3.810 -1.098 -1.020
65 HA3 GLY 9 HA3 GLY 9 -5.046 -0.280 -1.963
66 H ARG 10 H ARG 10 -4.373 2.359 -1.077
67 HA ARG 10 HA ARG 10 -2.042 2.840 -2.710
68 HB2 ARG 10 HB2 ARG 10 -2.571 5.241 -2.257
69 HB3 ARG 10 HB3 ARG 10 -3.889 4.348 -3.000
70 HG2 ARG 10 HG2 ARG 10 -5.158 4.350 -1.075
71 HG3 ARG 10 HG3 ARG 10 -3.768 4.653 -0.034
72 HD2 ARG 10 HD2 ARG 10 -4.478 6.775 -0.043
73 HD3 ARG 10 HD3 ARG 10 -3.767 6.841 -1.653
74 HE ARG 10 HE ARG 10 -5.994 6.362 -2.541
75 HH11 ARG 10 HH11 ARG 10 -5.764 7.432 0.787
76 HH12 ARG 10 HH12 ARG 10 -7.351 8.141 0.795
77 HH21 ARG 10 HH21 ARG 10 -8.092 7.256 -2.518
78 HH22 ARG 10 HH22 ARG 10 -8.676 8.040 -1.081
79 H TYR 11 H TYR 11 -0.097 2.637 -1.836
80 HA TYR 11 HA TYR 11 0.297 3.648 0.901
81 HB2 TYR 11 HB2 TYR 11 1.328 1.155 -0.393
82 HB3 TYR 11 HB3 TYR 11 2.299 1.960 0.832
83 HD1 TYR 11 HD1 TYR 11 -1.216 0.758 0.336
84 HD2 TYR 11 HD2 TYR 11 2.048 1.328 3.003
85 HE1 TYR 11 HE1 TYR 11 -2.472 -0.382 2.121
86 HE2 TYR 11 HE2 TYR 11 0.820 0.191 4.784
87 HH TYR 11 HH TYR 11 -1.464 -0.345 5.396
88 H PHE 12 H PHE 12 2.557 4.262 1.329
89 HA PHE 12 HA PHE 12 3.959 5.150 -1.091
90 HB2 PHE 12 HB2 PHE 12 2.679 6.960 0.227
91 HB3 PHE 12 HB3 PHE 12 3.935 6.765 1.447
92 HD1 PHE 12 HD2 PHE 12 3.198 7.792 -1.975
93 HD2 PHE 12 HD1 PHE 12 6.142 7.585 1.083
94 HE1 PHE 12 HE2 PHE 12 4.631 9.328 -3.261
95 HE2 PHE 12 HE1 PHE 12 7.597 9.117 -0.203
96 HZ PHE 12 HZ PHE 12 6.829 9.992 -2.373
97 H CYS 13 H CYS 13 5.796 4.068 -1.173
98 HA CYS 13 HA CYS 13 6.940 2.876 1.188
99 HB2 CYS 13 HB2 CYS 13 7.042 1.574 -0.821
100 HB3 CYS 13 HB3 CYS 13 7.788 2.894 -1.710
101 H HIS 14 H HIS 14 8.588 3.582 2.361
102 HA HIS 14 HA HIS 14 9.650 6.220 1.881
103 HB2 HIS 14 HB2 HIS 14 9.845 4.191 4.061
104 HB3 HIS 14 HB3 HIS 14 11.075 5.450 3.976
105 HD1 HIS 14 HD1 HIS 14 10.476 7.074 5.748
106 HD2 HIS 14 HD2 HIS 14 7.158 5.851 3.568
107 HE1 HIS 14 HE1 HIS 14 8.561 8.456 6.604
108 HE2 HIS 14 HE2 HIS 14 6.613 7.846 5.120
109 H CYS 15 H CYS 15 10.648 2.951 1.418
110 HA CYS 15 HA CYS 15 13.434 3.476 1.120
111 HB2 CYS 15 HB2 CYS 15 11.715 1.133 0.288
112 HB3 CYS 15 HB3 CYS 15 13.470 1.139 0.209
113 HG CYS 15 HG CYS 15 13.952 0.639 2.699
114 H CYS 16 H CYS 16 10.672 3.413 -1.032
115 HA CYS 16 HA CYS 16 12.432 3.887 -3.337
116 HB2 CYS 16 HB2 CYS 16 9.491 3.195 -3.232
117 HB3 CYS 16 HB3 CYS 16 10.402 3.481 -4.702
118 H SER 17 H SER 17 10.447 5.448 -1.149
119 HA SER 17 HA SER 17 9.246 7.337 -0.998
120 HB2 SER 17 HB2 SER 17 10.330 9.387 -1.887
121 HB3 SER 17 HB3 SER 17 11.414 8.361 -0.957
122 HG SER 17 HG SER 17 11.668 7.547 -3.423
123 H VAL 18 H VAL 18 8.087 5.667 -2.759
124 HA VAL 18 HA VAL 18 6.771 7.559 -4.557
125 HB VAL 18 HB VAL 18 6.638 5.969 -6.385
126 HG11 VAL 18 HG11 VAL 18 9.493 6.337 -5.497
127 HG12 VAL 18 HG12 VAL 18 8.521 7.518 -6.375
128 HG13 VAL 18 HG13 VAL 18 8.955 5.989 -7.140
129 HG21 VAL 18 HG21 VAL 18 8.355 4.187 -4.670
130 HG22 VAL 18 HG22 VAL 18 7.972 3.896 -6.366
131 HG23 VAL 18 HG23 VAL 18 6.687 3.896 -5.158
132 H GLU 19 H GLU 19 4.694 6.725 -5.342
133 HA GLU 19 HA GLU 19 3.262 5.530 -3.128
134 HB2 GLU 19 HB2 GLU 19 2.552 7.486 -4.797
135 HB3 GLU 19 HB3 GLU 19 1.913 6.135 -5.718
136 HG2 GLU 19 HG2 GLU 19 0.729 5.452 -3.604
137 HG3 GLU 19 HG3 GLU 19 1.186 7.013 -2.949
138 H ILE 20 H ILE 20 2.574 3.471 -3.029
139 HA ILE 20 HA ILE 20 2.972 1.751 -5.393
140 HB ILE 20 HB ILE 20 3.940 0.007 -3.907
141 HG12 ILE 20 HG12 ILE 20 4.774 1.865 -1.829
142 HG13 ILE 20 HG13 ILE 20 3.030 1.650 -1.870
143 HG21 ILE 20 HG21 ILE 20 6.175 1.020 -3.697
144 HG22 ILE 20 HG22 ILE 20 5.468 2.599 -4.040
145 HG23 ILE 20 HG23 ILE 20 5.428 1.329 -5.264
146 HD11 ILE 20 HD11 ILE 20 5.107 -0.503 -1.579
147 HD12 ILE 20 HD12 ILE 20 3.371 -0.782 -1.718
148 HD13 ILE 20 HD13 ILE 20 4.013 0.099 -0.331
149 H VAL 21 H VAL 21 2.003 -0.347 -5.185
150 HA VAL 21 HA VAL 21 -0.177 -0.514 -3.211
151 HB VAL 21 HB VAL 21 -1.167 -0.537 -5.381
152 HG11 VAL 21 HG11 VAL 21 0.811 -2.661 -6.188
153 HG12 VAL 21 HG12 VAL 21 0.877 -0.964 -6.665
154 HG13 VAL 21 HG13 VAL 21 -0.466 -1.979 -7.198
155 HG21 VAL 21 HG21 VAL 21 -0.898 -3.390 -4.434
156 HG22 VAL 21 HG22 VAL 21 -2.144 -2.782 -5.523
157 HG23 VAL 21 HG23 VAL 21 -2.071 -2.205 -3.859
158 HA PRO 22 HA PRO 22 2.869 -3.295 -1.510
159 HB2 PRO 22 HB2 PRO 22 0.695 -3.879 0.413
160 HB3 PRO 22 HB3 PRO 22 2.330 -3.305 0.712
161 HG2 PRO 22 HG2 PRO 22 0.259 -1.672 0.967
162 HG3 PRO 22 HG3 PRO 22 1.783 -1.103 0.260
163 HD2 PRO 22 HD2 PRO 22 -0.759 -1.898 -1.112
164 HD3 PRO 22 HD3 PRO 22 0.311 -0.516 -1.435
165 H ARG 23 H ARG 23 3.298 -5.423 -1.601
166 HA ARG 23 HA ARG 23 1.393 -7.226 -2.757
167 HB2 ARG 23 HB2 ARG 23 4.104 -7.703 -1.491
168 HB3 ARG 23 HB3 ARG 23 3.159 -8.943 -2.304
169 HG2 ARG 23 HG2 ARG 23 3.277 -7.658 -4.385
170 HG3 ARG 23 HG3 ARG 23 4.240 -6.432 -3.565
171 HD2 ARG 23 HD2 ARG 23 5.982 -8.076 -3.136
172 HD3 ARG 23 HD3 ARG 23 5.011 -9.326 -3.911
173 HE ARG 23 HE ARG 23 5.307 -7.277 -5.758
174 HH11 ARG 23 HH11 ARG 23 7.380 -9.529 -4.054
175 HH12 ARG 23 HH12 ARG 23 8.557 -9.596 -5.324
176 HH21 ARG 23 HH21 ARG 23 6.849 -7.351 -7.414
177 HH22 ARG 23 HH22 ARG 23 8.258 -8.348 -7.240
178 H LEU 24 H LEU 24 -0.320 -7.671 -1.547
179 HA LEU 24 HA LEU 24 -0.502 -7.160 1.160
180 HB2 LEU 24 HB2 LEU 24 -2.231 -7.858 -0.896
181 HB3 LEU 24 HB3 LEU 24 -2.475 -9.070 0.343
182 HG LEU 24 HG LEU 24 -3.998 -7.118 0.526
183 HD11 LEU 24 HD11 LEU 24 -3.726 -6.814 2.935
184 HD12 LEU 24 HD12 LEU 24 -2.117 -7.527 2.837
185 HD13 LEU 24 HD13 LEU 24 -3.537 -8.503 2.465
186 HD21 LEU 24 HD21 LEU 24 -3.176 -4.993 1.276
187 HD22 LEU 24 HD22 LEU 24 -2.345 -5.428 -0.216
188 HD23 LEU 24 HD23 LEU 24 -1.522 -5.604 1.334
189 HA PRO 25 HA PRO 25 -0.155 -12.139 1.782
190 HB2 PRO 25 HB2 PRO 25 2.198 -12.130 -0.069
191 HB3 PRO 25 HB3 PRO 25 1.136 -13.471 0.379
192 HG2 PRO 25 HG2 PRO 25 0.800 -12.266 -1.933
193 HG3 PRO 25 HG3 PRO 25 -0.615 -12.670 -0.940
194 HD2 PRO 25 HD2 PRO 25 0.688 -10.027 -1.397
195 HD3 PRO 25 HD3 PRO 25 -1.021 -10.422 -1.164
196 H ASP 26 H ASP 26 2.337 -9.681 1.290
197 HA ASP 26 HA ASP 26 3.601 -10.578 3.798
198 HB2 ASP 26 HB2 ASP 26 4.896 -9.691 1.236
199 HB3 ASP 26 HB3 ASP 26 5.756 -9.625 2.769
200 H TYR 27 H TYR 27 1.940 -8.171 2.326
201 HA TYR 27 HA TYR 27 1.641 -5.942 2.556
202 HB2 TYR 27 HB2 TYR 27 2.112 -6.997 5.237
203 HB3 TYR 27 HB3 TYR 27 2.472 -5.280 5.101
204 HD1 TYR 27 HD1 TYR 27 0.548 -4.047 3.536
205 HD2 TYR 27 HD2 TYR 27 -0.003 -7.439 6.044
206 HE1 TYR 27 HE1 TYR 27 -1.838 -3.499 3.739
207 HE2 TYR 27 HE2 TYR 27 -2.395 -6.904 6.246
208 HH TYR 27 HH TYR 27 -3.868 -4.918 6.043
209 H ILE 28 H ILE 28 4.059 -6.574 1.317
210 HA ILE 28 HA ILE 28 5.881 -4.544 2.417
211 HB ILE 28 HB ILE 28 7.637 -5.688 0.985
212 HG12 ILE 28 HG12 ILE 28 5.548 -7.878 0.963
213 HG13 ILE 28 HG13 ILE 28 6.081 -6.962 -0.437
214 HG21 ILE 28 HG21 ILE 28 6.432 -7.232 3.276
215 HG22 ILE 28 HG22 ILE 28 7.580 -5.899 3.402
216 HG23 ILE 28 HG23 ILE 28 8.072 -7.418 2.654
217 HD11 ILE 28 HD11 ILE 28 8.311 -7.896 -0.210
218 HD12 ILE 28 HD12 ILE 28 7.099 -9.167 -0.362
219 HD13 ILE 28 HD13 ILE 28 7.797 -8.797 1.214
220 H CYS 29 H CYS 29 7.497 -4.148 0.314
221 HA CYS 29 HA CYS 29 5.856 -2.487 -1.407
222 HB2 CYS 29 HB2 CYS 29 7.953 -1.687 -0.316
223 HB3 CYS 29 HB3 CYS 29 8.853 -2.865 -1.244
224 HA PRO 30 HA PRO 30 6.117 -5.477 -4.694
225 HB2 PRO 30 HB2 PRO 30 5.232 -3.972 -6.740
226 HB3 PRO 30 HB3 PRO 30 4.153 -4.495 -5.443
227 HG2 PRO 30 HG2 PRO 30 5.444 -1.842 -5.886
228 HG3 PRO 30 HG3 PRO 30 3.818 -2.211 -5.288
229 HD2 PRO 30 HD2 PRO 30 5.977 -1.523 -3.704
230 HD3 PRO 30 HD3 PRO 30 4.539 -2.402 -3.134
231 H ARG 31 H ARG 31 7.923 -2.663 -4.403
232 HA ARG 31 HA ARG 31 9.532 -3.179 -6.781
233 HB2 ARG 31 HB2 ARG 31 10.104 -0.914 -4.951
234 HB3 ARG 31 HB3 ARG 31 10.187 -0.985 -6.699
235 HG2 ARG 31 HG2 ARG 31 7.634 -1.086 -6.602
236 HG3 ARG 31 HG3 ARG 31 7.815 -0.553 -4.941
237 HD2 ARG 31 HD2 ARG 31 7.456 1.327 -6.452
238 HD3 ARG 31 HD3 ARG 31 9.028 1.403 -5.669
239 HE ARG 31 HE ARG 31 8.589 0.575 -8.464
240 HH11 ARG 31 HH11 ARG 31 10.640 1.937 -5.970
241 HH12 ARG 31 HH12 ARG 31 11.879 2.424 -7.076
242 HH21 ARG 31 HH21 ARG 31 10.236 1.183 -9.912
243 HH22 ARG 31 HH22 ARG 31 11.655 1.985 -9.319
244 H CYS 32 H CYS 32 10.028 -2.489 -3.292
245 HA CYS 32 HA CYS 32 12.694 -3.674 -3.620
246 HB2 CYS 32 HB2 CYS 32 13.513 -2.211 -1.888
247 HB3 CYS 32 HB3 CYS 32 12.688 -1.255 -3.109
248 H GLU 33 H GLU 33 9.736 -4.258 -2.267
249 HA GLU 33 HA GLU 33 8.920 -5.753 -0.763
250 HB2 GLU 33 HB2 GLU 33 11.608 -7.024 -1.277
251 HB3 GLU 33 HB3 GLU 33 10.262 -7.822 -0.481
252 HG2 GLU 33 HG2 GLU 33 8.920 -7.598 -2.501
253 HG3 GLU 33 HG3 GLU 33 10.257 -6.771 -3.300
254 H SER 34 H SER 34 10.104 -3.482 0.426
255 HA SER 34 HA SER 34 11.743 -4.450 2.610
256 HB2 SER 34 HB2 SER 34 12.671 -2.470 1.924
257 HB3 SER 34 HB3 SER 34 11.125 -1.753 1.477
258 HG SER 34 HG SER 34 12.433 -1.179 3.576
259 H GLY 35 H GLY 35 8.775 -2.466 2.377
260 HA2 GLY 35 HA2 GLY 35 6.844 -3.179 3.702
261 HA3 GLY 35 HA3 GLY 35 7.990 -3.614 4.957
262 H PHE 36 H PHE 36 9.492 -1.055 4.156
263 HA PHE 36 HA PHE 36 8.298 0.709 6.035
264 HB2 PHE 36 HB2 PHE 36 10.526 0.993 4.041
265 HB3 PHE 36 HB3 PHE 36 9.938 2.387 4.937
266 HD1 PHE 36 HD1 PHE 36 10.852 -1.150 5.705
267 HD2 PHE 36 HD2 PHE 36 11.181 2.957 6.742
268 HE1 PHE 36 HE1 PHE 36 12.311 -1.748 7.591
269 HE2 PHE 36 HE2 PHE 36 12.640 2.368 8.632
270 HZ PHE 36 HZ PHE 36 13.207 0.012 9.061
271 H ILE 37 H ILE 37 6.126 0.780 5.168
272 HA ILE 37 HA ILE 37 5.861 2.704 2.967
273 HB ILE 37 HB ILE 37 3.910 1.444 2.123
274 HG12 ILE 37 HG12 ILE 37 4.762 -0.560 4.214
275 HG13 ILE 37 HG13 ILE 37 3.195 0.193 4.029
276 HG21 ILE 37 HG21 ILE 37 5.251 -0.434 1.133
277 HG22 ILE 37 HG22 ILE 37 6.574 0.057 2.191
278 HG23 ILE 37 HG23 ILE 37 5.957 1.174 0.974
279 HD11 ILE 37 HD11 ILE 37 3.180 -2.143 3.322
280 HD12 ILE 37 HD12 ILE 37 4.407 -1.782 2.108
281 HD13 ILE 37 HD13 ILE 37 2.804 -1.056 1.988
282 H GLU 38 H GLU 38 3.957 3.938 2.967
283 HA GLU 38 HA GLU 38 2.651 4.107 5.598
284 HB2 GLU 38 HB2 GLU 38 3.376 6.219 3.589
285 HB3 GLU 38 HB3 GLU 38 2.169 6.513 4.838
286 HG2 GLU 38 HG2 GLU 38 3.901 5.927 6.531
287 HG3 GLU 38 HG3 GLU 38 5.080 5.862 5.220
288 H GLU 39 H GLU 39 0.557 3.657 5.663
289 HA GLU 39 HA GLU 39 -0.972 3.267 3.260
290 HB2 GLU 39 HB2 GLU 39 -1.174 1.928 5.411
291 HB3 GLU 39 HB3 GLU 39 -1.973 3.321 6.113
292 HG2 GLU 39 HG2 GLU 39 -2.995 2.049 3.605
293 HG3 GLU 39 HG3 GLU 39 -3.398 1.399 5.192
294 H LEU 40 H LEU 40 -1.692 4.948 2.156
295 HA LEU 40 HA LEU 40 -1.664 7.565 3.328
296 HB2 LEU 40 HB2 LEU 40 -2.410 6.661 0.561
297 HB3 LEU 40 HB3 LEU 40 -2.205 8.329 1.050
298 HG LEU 40 HG LEU 40 -0.026 6.237 1.037
299 HD11 LEU 40 HD11 LEU 40 -0.557 8.541 -0.819
300 HD12 LEU 40 HD12 LEU 40 -0.698 6.825 -1.204
301 HD13 LEU 40 HD13 LEU 40 0.879 7.517 -0.832
302 HD21 LEU 40 HD21 LEU 40 1.471 8.137 1.445
303 HD22 LEU 40 HD22 LEU 40 0.332 7.903 2.769
304 HD23 LEU 40 HD23 LEU 40 0.072 9.197 1.599
Start of MODEL 19
1 H1 GLY -1 H1 GLY -1 -10.937 3.346 4.598
2 H2 GLY -1 H2 GLY -1 -9.449 2.595 4.887
3 H3 GLY -1 H3 GLY -1 -9.655 4.229 5.257
4 HA2 GLY -1 HA3 GLY -1 -11.298 3.661 6.943
5 HA3 GLY -1 HA2 GLY -1 -11.037 1.963 6.575
6 H SER 0 H SER 0 -10.357 1.538 8.709
7 HA SER 0 HA SER 0 -7.678 2.593 9.332
8 HB2 SER 0 HB2 SER 0 -8.321 2.167 11.751
9 HB3 SER 0 HB3 SER 0 -9.183 3.486 10.959
10 HG SER 0 HG SER 0 -10.133 1.108 11.950
11 H MET 1 H MET 1 -9.348 -0.092 8.384
12 HA MET 1 HA MET 1 -7.268 -1.866 9.423
13 HB2 MET 1 HB2 MET 1 -8.850 -3.570 10.076
14 HB3 MET 1 HB3 MET 1 -9.245 -2.078 10.917
15 HG2 MET 1 HG2 MET 1 -11.064 -1.657 9.396
16 HG3 MET 1 HG3 MET 1 -10.630 -3.070 8.437
17 HE1 MET 1 HE1 MET 1 -13.130 -3.998 8.592
18 HE2 MET 1 HE2 MET 1 -13.567 -2.555 9.506
19 HE3 MET 1 HE3 MET 1 -14.010 -4.152 10.111
20 H ALA 2 H ALA 2 -7.309 -4.001 8.308
21 HA ALA 2 HA ALA 2 -8.267 -3.735 5.531
22 HB1 ALA 2 HB1 ALA 2 -5.822 -3.645 5.674
23 HB2 ALA 2 HB2 ALA 2 -6.362 -5.103 4.841
24 HB3 ALA 2 HB3 ALA 2 -5.814 -5.195 6.515
25 H GLU 3 H GLU 3 -9.595 -4.855 7.904
26 HA GLU 3 HA GLU 3 -9.625 -7.712 7.284
27 HB2 GLU 3 HB2 GLU 3 -10.644 -6.335 9.771
28 HB3 GLU 3 HB3 GLU 3 -10.468 -8.066 9.520
29 HG2 GLU 3 HG2 GLU 3 -8.054 -7.798 9.351
30 HG3 GLU 3 HG3 GLU 3 -8.229 -6.068 9.634
31 H ALA 4 H ALA 4 -11.728 -8.796 7.497
32 HA ALA 4 HA ALA 4 -13.880 -9.137 6.913
33 HB1 ALA 4 HB1 ALA 4 -14.418 -7.578 8.713
34 HB2 ALA 4 HB2 ALA 4 -15.555 -7.432 7.373
35 HB3 ALA 4 HB3 ALA 4 -14.286 -6.228 7.589
36 H SER 5 H SER 5 -13.729 -5.778 5.777
37 HA SER 5 HA SER 5 -13.871 -6.776 3.031
38 HB2 SER 5 HB2 SER 5 -15.736 -4.648 4.095
39 HB3 SER 5 HB3 SER 5 -15.724 -5.328 2.469
40 HG SER 5 HG SER 5 -17.001 -6.219 4.625
41 HA PRO 6 HA PRO 6 -12.519 -2.030 2.916
42 HB2 PRO 6 HB2 PRO 6 -11.456 -1.298 5.398
43 HB3 PRO 6 HB3 PRO 6 -12.982 -0.731 4.717
44 HG2 PRO 6 HG2 PRO 6 -12.477 -2.917 6.681
45 HG3 PRO 6 HG3 PRO 6 -13.813 -1.750 6.613
46 HD2 PRO 6 HD2 PRO 6 -14.173 -4.264 5.833
47 HD3 PRO 6 HD3 PRO 6 -14.920 -2.931 4.938
48 H HIS 7 H HIS 7 -10.559 -1.896 2.047
49 HA HIS 7 HA HIS 7 -8.255 -3.001 3.413
50 HB2 HIS 7 HB2 HIS 7 -7.539 -4.378 1.522
51 HB3 HIS 7 HB3 HIS 7 -9.079 -4.933 2.138
52 HD1 HIS 7 HD1 HIS 7 -7.404 -3.907 -0.932
53 HD2 HIS 7 HD2 HIS 7 -11.325 -4.147 0.433
54 HE1 HIS 7 HE1 HIS 7 -8.843 -3.831 -2.989
55 HE2 HIS 7 HE2 HIS 7 -11.205 -3.767 -2.123
56 HA PRO 8 HA PRO 8 -6.660 0.606 1.411
57 HB2 PRO 8 HB2 PRO 8 -4.177 0.504 2.452
58 HB3 PRO 8 HB3 PRO 8 -5.585 0.967 3.409
59 HG2 PRO 8 HG2 PRO 8 -4.056 -1.570 3.389
60 HG3 PRO 8 HG3 PRO 8 -4.919 -0.786 4.718
61 HD2 PRO 8 HD2 PRO 8 -5.830 -2.936 3.174
62 HD3 PRO 8 HD3 PRO 8 -6.803 -1.945 4.273
63 H GLY 9 H GLY 9 -4.954 1.211 -0.104
64 HA2 GLY 9 HA2 GLY 9 -3.593 -1.025 -1.399
65 HA3 GLY 9 HA3 GLY 9 -4.769 -0.141 -2.357
66 H ARG 10 H ARG 10 -4.313 2.429 -1.486
67 HA ARG 10 HA ARG 10 -1.886 3.080 -2.850
68 HB2 ARG 10 HB2 ARG 10 -2.477 5.432 -2.191
69 HB3 ARG 10 HB3 ARG 10 -3.707 4.598 -3.122
70 HG2 ARG 10 HG2 ARG 10 -5.114 4.368 -1.304
71 HG3 ARG 10 HG3 ARG 10 -3.820 4.634 -0.139
72 HD2 ARG 10 HD2 ARG 10 -4.769 6.686 -0.051
73 HD3 ARG 10 HD3 ARG 10 -3.712 6.941 -1.433
74 HE ARG 10 HE ARG 10 -5.837 6.195 -2.733
75 HH11 ARG 10 HH11 ARG 10 -5.741 8.132 0.170
76 HH12 ARG 10 HH12 ARG 10 -7.118 9.093 -0.265
77 HH21 ARG 10 HH21 ARG 10 -7.666 7.444 -3.315
78 HH22 ARG 10 HH22 ARG 10 -8.222 8.695 -2.249
79 H TYR 11 H TYR 11 -0.038 2.618 -1.878
80 HA TYR 11 HA TYR 11 0.337 3.582 0.878
81 HB2 TYR 11 HB2 TYR 11 1.276 1.092 -0.468
82 HB3 TYR 11 HB3 TYR 11 2.322 1.842 0.730
83 HD1 TYR 11 HD2 TYR 11 -1.177 0.611 0.289
84 HD2 TYR 11 HD1 TYR 11 2.037 1.390 2.960
85 HE1 TYR 11 HE2 TYR 11 -2.427 -0.472 2.110
86 HE2 TYR 11 HE1 TYR 11 0.813 0.319 4.778
87 HH TYR 11 HH TYR 11 -1.995 -1.559 4.269
88 H PHE 12 H PHE 12 2.537 4.256 1.368
89 HA PHE 12 HA PHE 12 3.990 5.162 -1.018
90 HB2 PHE 12 HB2 PHE 12 2.663 6.941 0.273
91 HB3 PHE 12 HB3 PHE 12 3.885 6.759 1.529
92 HD1 PHE 12 HD1 PHE 12 3.212 7.790 -1.901
93 HD2 PHE 12 HD2 PHE 12 6.098 7.606 1.219
94 HE1 PHE 12 HE1 PHE 12 4.661 9.349 -3.151
95 HE2 PHE 12 HE2 PHE 12 7.561 9.159 -0.025
96 HZ PHE 12 HZ PHE 12 6.833 10.036 -2.211
97 H CYS 13 H CYS 13 5.825 4.098 -1.088
98 HA CYS 13 HA CYS 13 6.911 2.823 1.244
99 HB2 CYS 13 HB2 CYS 13 7.057 1.649 -0.849
100 HB3 CYS 13 HB3 CYS 13 7.875 3.006 -1.611
101 H HIS 14 H HIS 14 8.512 3.483 2.518
102 HA HIS 14 HA HIS 14 9.634 6.118 2.142
103 HB2 HIS 14 HB2 HIS 14 9.644 4.067 4.303
104 HB3 HIS 14 HB3 HIS 14 10.970 5.228 4.279
105 HD1 HIS 14 HD1 HIS 14 10.414 6.847 6.075
106 HD2 HIS 14 HD2 HIS 14 7.123 5.967 3.690
107 HE1 HIS 14 HE1 HIS 14 8.575 8.368 6.869
108 HE2 HIS 14 HE2 HIS 14 6.557 7.735 5.497
109 H CYS 15 H CYS 15 10.528 2.880 1.477
110 HA CYS 15 HA CYS 15 13.363 3.351 1.357
111 HB2 CYS 15 HB2 CYS 15 11.684 1.036 0.372
112 HB3 CYS 15 HB3 CYS 15 13.436 1.038 0.477
113 HG CYS 15 HG CYS 15 13.661 0.736 3.089
114 H CYS 16 H CYS 16 10.674 3.428 -0.846
115 HA CYS 16 HA CYS 16 12.503 3.921 -3.103
116 HB2 CYS 16 HB2 CYS 16 9.567 3.202 -3.135
117 HB3 CYS 16 HB3 CYS 16 10.550 3.504 -4.555
118 H SER 17 H SER 17 10.416 5.418 -0.958
119 HA SER 17 HA SER 17 9.218 7.309 -0.800
120 HB2 SER 17 HB2 SER 17 10.293 9.376 -1.642
121 HB3 SER 17 HB3 SER 17 11.393 8.341 -0.740
122 HG SER 17 HG SER 17 11.526 7.652 -3.311
123 H VAL 18 H VAL 18 8.100 5.641 -2.605
124 HA VAL 18 HA VAL 18 6.799 7.540 -4.403
125 HB VAL 18 HB VAL 18 6.709 5.945 -6.243
126 HG11 VAL 18 HG11 VAL 18 8.547 7.560 -6.205
127 HG12 VAL 18 HG12 VAL 18 9.020 6.051 -6.989
128 HG13 VAL 18 HG13 VAL 18 9.549 6.391 -5.341
129 HG21 VAL 18 HG21 VAL 18 6.817 3.881 -4.996
130 HG22 VAL 18 HG22 VAL 18 8.480 4.225 -4.524
131 HG23 VAL 18 HG23 VAL 18 8.091 3.912 -6.215
132 H GLU 19 H GLU 19 4.749 6.664 -5.247
133 HA GLU 19 HA GLU 19 3.285 5.420 -3.074
134 HB2 GLU 19 HB2 GLU 19 2.594 7.419 -4.664
135 HB3 GLU 19 HB3 GLU 19 2.025 6.118 -5.695
136 HG2 GLU 19 HG2 GLU 19 0.832 5.308 -3.555
137 HG3 GLU 19 HG3 GLU 19 1.086 6.950 -2.996
138 H ILE 20 H ILE 20 2.507 3.368 -3.064
139 HA ILE 20 HA ILE 20 2.895 1.683 -5.455
140 HB ILE 20 HB ILE 20 3.844 -0.104 -3.996
141 HG12 ILE 20 HG12 ILE 20 4.734 1.722 -1.917
142 HG13 ILE 20 HG13 ILE 20 2.986 1.543 -1.938
143 HG21 ILE 20 HG21 ILE 20 6.097 0.844 -3.833
144 HG22 ILE 20 HG22 ILE 20 5.429 2.456 -4.089
145 HG23 ILE 20 HG23 ILE 20 5.323 1.243 -5.365
146 HD11 ILE 20 HD11 ILE 20 3.289 -0.902 -1.810
147 HD12 ILE 20 HD12 ILE 20 3.939 -0.035 -0.417
148 HD13 ILE 20 HD13 ILE 20 5.028 -0.644 -1.667
149 H VAL 21 H VAL 21 1.863 -0.396 -5.289
150 HA VAL 21 HA VAL 21 -0.250 -0.586 -3.249
151 HB VAL 21 HB VAL 21 -1.334 -0.557 -5.363
152 HG11 VAL 21 HG11 VAL 21 0.647 -2.614 -6.317
153 HG12 VAL 21 HG12 VAL 21 0.619 -0.909 -6.767
154 HG13 VAL 21 HG13 VAL 21 -0.707 -1.971 -7.247
155 HG21 VAL 21 HG21 VAL 21 -2.312 -2.797 -5.552
156 HG22 VAL 21 HG22 VAL 21 -2.170 -2.285 -3.870
157 HG23 VAL 21 HG23 VAL 21 -1.019 -3.440 -4.541
158 HA PRO 22 HA PRO 22 2.817 -3.449 -1.749
159 HB2 PRO 22 HB2 PRO 22 0.864 -4.035 0.361
160 HB3 PRO 22 HB3 PRO 22 2.480 -3.342 0.488
161 HG2 PRO 22 HG2 PRO 22 0.281 -1.871 0.890
162 HG3 PRO 22 HG3 PRO 22 1.734 -1.196 0.135
163 HD2 PRO 22 HD2 PRO 22 -0.810 -2.117 -1.137
164 HD3 PRO 22 HD3 PRO 22 0.178 -0.684 -1.495
165 H ARG 23 H ARG 23 3.182 -5.626 -1.602
166 HA ARG 23 HA ARG 23 1.178 -7.439 -2.624
167 HB2 ARG 23 HB2 ARG 23 3.887 -8.012 -1.391
168 HB3 ARG 23 HB3 ARG 23 2.894 -9.167 -2.263
169 HG2 ARG 23 HG2 ARG 23 3.165 -7.877 -4.308
170 HG3 ARG 23 HG3 ARG 23 4.132 -6.685 -3.437
171 HD2 ARG 23 HD2 ARG 23 5.731 -8.502 -2.868
172 HD3 ARG 23 HD3 ARG 23 4.802 -9.586 -3.897
173 HE ARG 23 HE ARG 23 5.375 -7.537 -5.554
174 HH11 ARG 23 HH11 ARG 23 7.326 -9.588 -3.500
175 HH12 ARG 23 HH12 ARG 23 8.763 -9.411 -4.453
176 HH21 ARG 23 HH21 ARG 23 7.245 -7.311 -6.838
177 HH22 ARG 23 HH22 ARG 23 8.716 -8.110 -6.368
178 H LEU 24 H LEU 24 -0.479 -7.779 -1.257
179 HA LEU 24 HA LEU 24 -0.463 -7.065 1.401
180 HB2 LEU 24 HB2 LEU 24 -2.316 -8.071 -0.489
181 HB3 LEU 24 HB3 LEU 24 -2.541 -8.904 1.029
182 HG LEU 24 HG LEU 24 -3.958 -6.890 0.792
183 HD11 LEU 24 HD11 LEU 24 -3.406 -7.715 3.005
184 HD12 LEU 24 HD12 LEU 24 -3.476 -5.952 3.000
185 HD13 LEU 24 HD13 LEU 24 -1.915 -6.773 2.998
186 HD21 LEU 24 HD21 LEU 24 -2.987 -4.692 0.894
187 HD22 LEU 24 HD22 LEU 24 -2.323 -5.556 -0.491
188 HD23 LEU 24 HD23 LEU 24 -1.364 -5.375 0.978
189 HA PRO 25 HA PRO 25 -0.203 -12.009 2.389
190 HB2 PRO 25 HB2 PRO 25 2.090 -12.129 0.459
191 HB3 PRO 25 HB3 PRO 25 1.067 -13.444 1.051
192 HG2 PRO 25 HG2 PRO 25 0.612 -12.419 -1.329
193 HG3 PRO 25 HG3 PRO 25 -0.752 -12.761 -0.246
194 HD2 PRO 25 HD2 PRO 25 0.474 -10.149 -0.980
195 HD3 PRO 25 HD3 PRO 25 -1.207 -10.544 -0.595
196 H ASP 26 H ASP 26 2.679 -10.171 1.340
197 HA ASP 26 HA ASP 26 3.896 -10.652 3.968
198 HB2 ASP 26 HB2 ASP 26 4.994 -9.892 1.283
199 HB3 ASP 26 HB3 ASP 26 5.924 -9.550 2.737
200 H TYR 27 H TYR 27 2.230 -8.341 2.253
201 HA TYR 27 HA TYR 27 1.766 -6.150 2.463
202 HB2 TYR 27 HB2 TYR 27 1.956 -7.143 5.077
203 HB3 TYR 27 HB3 TYR 27 2.853 -5.627 5.092
204 HD1 TYR 27 HD1 TYR 27 1.153 -4.267 2.907
205 HD2 TYR 27 HD2 TYR 27 0.130 -6.412 6.439
206 HE1 TYR 27 HE1 TYR 27 -0.952 -3.012 3.052
207 HE2 TYR 27 HE2 TYR 27 -1.984 -5.162 6.588
208 HH TYR 27 HH TYR 27 -2.933 -3.052 5.826
209 H ILE 28 H ILE 28 4.191 -6.795 1.230
210 HA ILE 28 HA ILE 28 6.046 -4.748 2.221
211 HB ILE 28 HB ILE 28 7.723 -5.879 0.700
212 HG12 ILE 28 HG12 ILE 28 5.673 -8.105 0.753
213 HG13 ILE 28 HG13 ILE 28 6.037 -7.119 -0.653
214 HG21 ILE 28 HG21 ILE 28 7.784 -6.142 3.104
215 HG22 ILE 28 HG22 ILE 28 8.212 -7.657 2.309
216 HG23 ILE 28 HG23 ILE 28 6.607 -7.453 3.013
217 HD11 ILE 28 HD11 ILE 28 7.140 -9.277 -0.767
218 HD12 ILE 28 HD12 ILE 28 7.959 -8.949 0.759
219 HD13 ILE 28 HD13 ILE 28 8.319 -7.971 -0.663
220 H CYS 29 H CYS 29 7.555 -4.211 0.186
221 HA CYS 29 HA CYS 29 5.888 -2.585 -1.547
222 HB2 CYS 29 HB2 CYS 29 7.932 -1.751 -0.352
223 HB3 CYS 29 HB3 CYS 29 8.894 -2.857 -1.305
224 HA PRO 30 HA PRO 30 6.441 -5.508 -4.875
225 HB2 PRO 30 HB2 PRO 30 5.506 -4.035 -6.923
226 HB3 PRO 30 HB3 PRO 30 4.438 -4.656 -5.660
227 HG2 PRO 30 HG2 PRO 30 5.504 -1.907 -6.058
228 HG3 PRO 30 HG3 PRO 30 3.924 -2.420 -5.449
229 HD2 PRO 30 HD2 PRO 30 6.075 -1.574 -3.897
230 HD3 PRO 30 HD3 PRO 30 4.673 -2.493 -3.304
231 H ARG 31 H ARG 31 8.086 -2.640 -4.448
232 HA ARG 31 HA ARG 31 9.739 -2.929 -6.836
233 HB2 ARG 31 HB2 ARG 31 10.068 -0.704 -4.882
234 HB3 ARG 31 HB3 ARG 31 10.254 -0.691 -6.625
235 HG2 ARG 31 HG2 ARG 31 7.765 -0.952 -6.771
236 HG3 ARG 31 HG3 ARG 31 7.711 -0.684 -5.040
237 HD2 ARG 31 HD2 ARG 31 7.279 1.350 -6.384
238 HD3 ARG 31 HD3 ARG 31 8.629 1.492 -5.268
239 HE ARG 31 HE ARG 31 10.083 1.072 -7.255
240 HH11 ARG 31 HH11 ARG 31 6.844 2.346 -7.732
241 HH12 ARG 31 HH12 ARG 31 7.283 3.255 -9.140
242 HH21 ARG 31 HH21 ARG 31 10.646 2.243 -9.099
243 HH22 ARG 31 HH22 ARG 31 9.450 3.195 -9.922
244 H CYS 32 H CYS 32 10.152 -2.387 -3.308
245 HA CYS 32 HA CYS 32 12.873 -3.452 -3.625
246 HB2 CYS 32 HB2 CYS 32 13.557 -2.114 -1.720
247 HB3 CYS 32 HB3 CYS 32 12.790 -1.087 -2.924
248 H GLU 33 H GLU 33 9.875 -4.147 -2.343
249 HA GLU 33 HA GLU 33 9.053 -5.804 -1.025
250 HB2 GLU 33 HB2 GLU 33 11.780 -7.017 -1.513
251 HB3 GLU 33 HB3 GLU 33 10.354 -7.883 -0.959
252 HG2 GLU 33 HG2 GLU 33 9.232 -7.511 -3.029
253 HG3 GLU 33 HG3 GLU 33 10.494 -6.411 -3.577
254 H SER 34 H SER 34 10.178 -3.618 0.355
255 HA SER 34 HA SER 34 11.771 -4.742 2.508
256 HB2 SER 34 HB2 SER 34 12.714 -2.737 1.765
257 HB3 SER 34 HB3 SER 34 11.153 -1.926 1.638
258 HG SER 34 HG SER 34 12.843 -1.936 3.684
259 H GLY 35 H GLY 35 8.881 -2.642 2.318
260 HA2 GLY 35 HA2 GLY 35 6.909 -3.467 3.570
261 HA3 GLY 35 HA3 GLY 35 8.041 -3.851 4.853
262 H PHE 36 H PHE 36 9.522 -1.291 4.173
263 HA PHE 36 HA PHE 36 8.175 0.470 5.946
264 HB2 PHE 36 HB2 PHE 36 10.515 0.766 4.094
265 HB3 PHE 36 HB3 PHE 36 9.838 2.175 4.899
266 HD1 PHE 36 HD1 PHE 36 11.498 -1.071 5.441
267 HD2 PHE 36 HD2 PHE 36 10.207 2.590 7.173
268 HE1 PHE 36 HE1 PHE 36 12.827 -1.564 7.453
269 HE2 PHE 36 HE2 PHE 36 11.532 2.109 9.192
270 HZ PHE 36 HZ PHE 36 12.846 0.029 9.332
271 H ILE 37 H ILE 37 6.065 0.700 5.123
272 HA ILE 37 HA ILE 37 5.857 2.621 2.927
273 HB ILE 37 HB ILE 37 3.899 1.410 2.020
274 HG12 ILE 37 HG12 ILE 37 4.707 -0.640 4.073
275 HG13 ILE 37 HG13 ILE 37 3.140 0.095 3.840
276 HG21 ILE 37 HG21 ILE 37 5.931 1.160 0.860
277 HG22 ILE 37 HG22 ILE 37 5.230 -0.456 0.981
278 HG23 ILE 37 HG23 ILE 37 6.554 0.016 2.047
279 HD11 ILE 37 HD11 ILE 37 2.876 -1.109 1.740
280 HD12 ILE 37 HD12 ILE 37 3.141 -2.206 3.092
281 HD13 ILE 37 HD13 ILE 37 4.455 -1.857 1.970
282 H GLU 38 H GLU 38 4.006 3.933 2.993
283 HA GLU 38 HA GLU 38 2.625 3.915 5.591
284 HB2 GLU 38 HB2 GLU 38 3.516 6.165 3.826
285 HB3 GLU 38 HB3 GLU 38 2.205 6.396 4.980
286 HG2 GLU 38 HG2 GLU 38 3.847 5.483 6.722
287 HG3 GLU 38 HG3 GLU 38 5.087 5.783 5.505
288 H GLU 39 H GLU 39 0.520 3.664 5.623
289 HA GLU 39 HA GLU 39 -0.976 3.327 3.199
290 HB2 GLU 39 HB2 GLU 39 -1.198 2.031 5.402
291 HB3 GLU 39 HB3 GLU 39 -2.063 3.426 6.014
292 HG2 GLU 39 HG2 GLU 39 -2.915 1.987 3.529
293 HG3 GLU 39 HG3 GLU 39 -3.417 1.464 5.133
294 H LEU 40 H LEU 40 -1.856 4.930 2.118
295 HA LEU 40 HA LEU 40 -1.804 7.594 3.247
296 HB2 LEU 40 HB2 LEU 40 -2.517 6.663 0.479
297 HB3 LEU 40 HB3 LEU 40 -2.294 8.331 0.961
298 HG LEU 40 HG LEU 40 -0.154 6.206 0.959
299 HD11 LEU 40 HD11 LEU 40 -0.648 8.527 -0.879
300 HD12 LEU 40 HD12 LEU 40 -0.754 6.812 -1.277
301 HD13 LEU 40 HD13 LEU 40 0.804 7.527 -0.870
302 HD21 LEU 40 HD21 LEU 40 0.228 7.832 2.721
303 HD22 LEU 40 HD22 LEU 40 -0.013 9.154 1.578
304 HD23 LEU 40 HD23 LEU 40 1.375 8.081 1.405
Start of MODEL 20
1 H1 GLY -1 H1 GLY -1 -17.858 4.107 1.378
2 H2 GLY -1 H2 GLY -1 -18.983 4.326 2.617
3 H3 GLY -1 H3 GLY -1 -18.215 5.663 1.930
4 HA2 GLY -1 HA3 GLY -1 -20.459 5.495 1.104
5 HA3 GLY -1 HA2 GLY -1 -19.291 5.236 -0.183
6 H SER 0 H SER 0 -22.109 4.333 0.160
7 HA SER 0 HA SER 0 -22.133 1.551 0.657
8 HB2 SER 0 HB2 SER 0 -24.056 3.226 -0.976
9 HB3 SER 0 HB3 SER 0 -24.371 1.606 -0.350
10 HG SER 0 HG SER 0 -23.929 2.572 1.780
11 H MET 1 H MET 1 -21.958 -0.176 -0.659
12 HA MET 1 HA MET 1 -21.329 -1.474 -2.392
13 HB2 MET 1 HB2 MET 1 -22.216 0.912 -4.005
14 HB3 MET 1 HB3 MET 1 -21.586 -0.548 -4.751
15 HG2 MET 1 HG2 MET 1 -23.895 -0.795 -4.843
16 HG3 MET 1 HG3 MET 1 -23.407 -1.789 -3.475
17 HE1 MET 1 HE1 MET 1 -25.513 2.304 -3.185
18 HE2 MET 1 HE2 MET 1 -25.210 1.435 -4.689
19 HE3 MET 1 HE3 MET 1 -23.865 2.136 -3.788
20 H ALA 2 H ALA 2 -19.620 0.903 -1.224
21 HA ALA 2 HA ALA 2 -17.384 0.507 -3.101
22 HB1 ALA 2 HB1 ALA 2 -17.943 2.934 -1.398
23 HB2 ALA 2 HB2 ALA 2 -18.177 2.817 -3.143
24 HB3 ALA 2 HB3 ALA 2 -16.555 2.715 -2.462
25 H GLU 3 H GLU 3 -18.544 0.137 0.078
26 HA GLU 3 HA GLU 3 -15.962 0.200 1.357
27 HB2 GLU 3 HB2 GLU 3 -18.075 0.929 2.497
28 HB3 GLU 3 HB3 GLU 3 -18.591 -0.750 2.488
29 HG2 GLU 3 HG2 GLU 3 -16.583 -1.326 3.793
30 HG3 GLU 3 HG3 GLU 3 -16.216 0.393 3.920
31 H ALA 4 H ALA 4 -15.256 -1.477 -0.301
32 HA ALA 4 HA ALA 4 -15.615 -4.140 0.916
33 HB1 ALA 4 HB1 ALA 4 -16.592 -4.061 -1.329
34 HB2 ALA 4 HB2 ALA 4 -15.193 -5.134 -1.274
35 HB3 ALA 4 HB3 ALA 4 -15.044 -3.526 -1.984
36 H SER 5 H SER 5 -13.700 -1.826 1.295
37 HA SER 5 HA SER 5 -11.231 -3.354 0.937
38 HB2 SER 5 HB2 SER 5 -10.091 -1.174 0.445
39 HB3 SER 5 HB3 SER 5 -11.228 -1.687 -0.800
40 HG SER 5 HG SER 5 -11.878 0.118 1.295
41 HA PRO 6 HA PRO 6 -11.148 -2.166 5.376
42 HB2 PRO 6 HB2 PRO 6 -9.394 -4.529 5.449
43 HB3 PRO 6 HB3 PRO 6 -10.820 -4.171 6.426
44 HG2 PRO 6 HG2 PRO 6 -10.842 -6.083 4.535
45 HG3 PRO 6 HG3 PRO 6 -12.271 -5.092 4.885
46 HD2 PRO 6 HD2 PRO 6 -10.303 -4.858 2.638
47 HD3 PRO 6 HD3 PRO 6 -12.071 -4.681 2.611
48 H HIS 7 H HIS 7 -8.820 -3.195 3.017
49 HA HIS 7 HA HIS 7 -6.989 -1.087 3.922
50 HB2 HIS 7 HB2 HIS 7 -5.150 -2.473 2.856
51 HB3 HIS 7 HB3 HIS 7 -5.804 -3.116 4.346
52 HD1 HIS 7 HD1 HIS 7 -5.851 -3.734 0.620
53 HD2 HIS 7 HD2 HIS 7 -6.907 -5.633 4.162
54 HE1 HIS 7 HE1 HIS 7 -6.428 -6.091 -0.022
55 HE2 HIS 7 HE2 HIS 7 -7.206 -7.176 2.111
56 HA PRO 8 HA PRO 8 -8.104 0.479 -0.008
57 HB2 PRO 8 HB2 PRO 8 -6.305 2.520 -0.170
58 HB3 PRO 8 HB3 PRO 8 -7.755 2.566 0.833
59 HG2 PRO 8 HG2 PRO 8 -4.929 2.176 1.608
60 HG3 PRO 8 HG3 PRO 8 -6.266 2.872 2.532
61 HD2 PRO 8 HD2 PRO 8 -5.208 0.303 2.822
62 HD3 PRO 8 HD3 PRO 8 -6.746 0.877 3.480
63 H GLY 9 H GLY 9 -4.585 1.000 0.102
64 HA2 GLY 9 HA2 GLY 9 -3.402 -0.920 -1.224
65 HA3 GLY 9 HA3 GLY 9 -4.393 -0.279 -2.530
66 H ARG 10 H ARG 10 -4.235 2.434 -1.657
67 HA ARG 10 HA ARG 10 -1.814 3.253 -2.859
68 HB2 ARG 10 HB2 ARG 10 -2.524 5.535 -2.014
69 HB3 ARG 10 HB3 ARG 10 -3.660 4.712 -3.073
70 HG2 ARG 10 HG2 ARG 10 -5.131 4.239 -1.340
71 HG3 ARG 10 HG3 ARG 10 -3.905 4.495 -0.098
72 HD2 ARG 10 HD2 ARG 10 -4.756 6.538 0.135
73 HD3 ARG 10 HD3 ARG 10 -4.029 6.914 -1.423
74 HE ARG 10 HE ARG 10 -6.290 6.022 -2.310
75 HH11 ARG 10 HH11 ARG 10 -5.825 7.808 0.669
76 HH12 ARG 10 HH12 ARG 10 -7.382 8.581 0.598
77 HH21 ARG 10 HH21 ARG 10 -8.351 7.024 -2.400
78 HH22 ARG 10 HH22 ARG 10 -8.814 8.144 -1.158
79 H TYR 11 H TYR 11 0.051 2.817 -1.905
80 HA TYR 11 HA TYR 11 0.408 3.728 0.869
81 HB2 TYR 11 HB2 TYR 11 1.366 1.230 -0.465
82 HB3 TYR 11 HB3 TYR 11 2.363 1.972 0.777
83 HD1 TYR 11 HD1 TYR 11 -1.223 0.989 0.278
84 HD2 TYR 11 HD2 TYR 11 2.110 1.235 2.904
85 HE1 TYR 11 HE1 TYR 11 -2.523 -0.146 2.032
86 HE2 TYR 11 HE2 TYR 11 0.836 0.107 4.659
87 HH TYR 11 HH TYR 11 -1.382 -0.389 5.302
88 H PHE 12 H PHE 12 2.650 4.318 1.366
89 HA PHE 12 HA PHE 12 4.122 5.240 -1.003
90 HB2 PHE 12 HB2 PHE 12 2.819 7.021 0.301
91 HB3 PHE 12 HB3 PHE 12 4.015 6.791 1.574
92 HD1 PHE 12 HD1 PHE 12 3.410 7.956 -1.817
93 HD2 PHE 12 HD2 PHE 12 6.269 7.582 1.304
94 HE1 PHE 12 HE1 PHE 12 4.901 9.520 -3.005
95 HE2 PHE 12 HE2 PHE 12 7.770 9.148 0.129
96 HZ PHE 12 HZ PHE 12 7.080 10.121 -2.027
97 H CYS 13 H CYS 13 5.941 4.139 -1.072
98 HA CYS 13 HA CYS 13 7.017 2.841 1.252
99 HB2 CYS 13 HB2 CYS 13 7.167 1.637 -0.796
100 HB3 CYS 13 HB3 CYS 13 7.896 3.002 -1.624
101 H HIS 14 H HIS 14 8.606 3.486 2.535
102 HA HIS 14 HA HIS 14 9.597 6.155 2.355
103 HB2 HIS 14 HB2 HIS 14 9.970 3.860 4.228
104 HB3 HIS 14 HB3 HIS 14 11.138 5.176 4.283
105 HD1 HIS 14 HD1 HIS 14 10.418 6.105 6.535
106 HD2 HIS 14 HD2 HIS 14 7.298 5.846 3.803
107 HE1 HIS 14 HE1 HIS 14 8.509 7.366 7.570
108 HE2 HIS 14 HE2 HIS 14 6.698 7.347 5.824
109 H CYS 15 H CYS 15 10.807 3.041 1.426
110 HA CYS 15 HA CYS 15 13.536 3.836 1.100
111 HB2 CYS 15 HB2 CYS 15 13.039 1.515 1.483
112 HB3 CYS 15 HB3 CYS 15 11.957 1.461 0.104
113 HG CYS 15 HG CYS 15 15.266 1.069 0.226
114 H CYS 16 H CYS 16 10.848 3.233 -1.121
115 HA CYS 16 HA CYS 16 12.434 4.044 -3.397
116 HB2 CYS 16 HB2 CYS 16 9.521 3.265 -3.213
117 HB3 CYS 16 HB3 CYS 16 10.393 3.568 -4.705
118 H SER 17 H SER 17 10.411 5.514 -1.153
119 HA SER 17 HA SER 17 9.252 7.426 -0.946
120 HB2 SER 17 HB2 SER 17 10.338 9.474 -1.763
121 HB3 SER 17 HB3 SER 17 11.484 8.389 -0.983
122 HG SER 17 HG SER 17 11.667 7.663 -3.409
123 H VAL 18 H VAL 18 8.147 5.735 -2.780
124 HA VAL 18 HA VAL 18 6.781 7.637 -4.541
125 HB VAL 18 HB VAL 18 6.647 6.024 -6.352
126 HG11 VAL 18 HG11 VAL 18 8.963 6.037 -7.108
127 HG12 VAL 18 HG12 VAL 18 9.500 6.416 -5.471
128 HG13 VAL 18 HG13 VAL 18 8.522 7.579 -6.370
129 HG21 VAL 18 HG21 VAL 18 8.371 4.267 -4.620
130 HG22 VAL 18 HG22 VAL 18 7.985 3.954 -6.310
131 HG23 VAL 18 HG23 VAL 18 6.702 3.966 -5.100
132 H GLU 19 H GLU 19 4.711 6.753 -5.321
133 HA GLU 19 HA GLU 19 3.305 5.524 -3.104
134 HB2 GLU 19 HB2 GLU 19 2.470 7.525 -4.461
135 HB3 GLU 19 HB3 GLU 19 2.135 6.382 -5.754
136 HG2 GLU 19 HG2 GLU 19 1.022 5.512 -3.230
137 HG3 GLU 19 HG3 GLU 19 0.438 7.109 -3.696
138 H ILE 20 H ILE 20 2.602 3.475 -3.048
139 HA ILE 20 HA ILE 20 2.991 1.763 -5.416
140 HB ILE 20 HB ILE 20 3.970 0.017 -3.938
141 HG12 ILE 20 HG12 ILE 20 4.813 1.868 -1.859
142 HG13 ILE 20 HG13 ILE 20 3.067 1.660 -1.900
143 HG21 ILE 20 HG21 ILE 20 6.208 1.028 -3.728
144 HG22 ILE 20 HG22 ILE 20 5.501 2.607 -4.072
145 HG23 ILE 20 HG23 ILE 20 5.461 1.335 -5.294
146 HD11 ILE 20 HD11 ILE 20 5.133 -0.502 -1.613
147 HD12 ILE 20 HD12 ILE 20 3.396 -0.777 -1.765
148 HD13 ILE 20 HD13 ILE 20 4.033 0.095 -0.369
149 H VAL 21 H VAL 21 1.990 -0.340 -5.188
150 HA VAL 21 HA VAL 21 -0.142 -0.459 -3.159
151 HB VAL 21 HB VAL 21 -1.205 -0.436 -5.288
152 HG11 VAL 21 HG11 VAL 21 0.714 -2.584 -6.170
153 HG12 VAL 21 HG12 VAL 21 0.749 -0.891 -6.665
154 HG13 VAL 21 HG13 VAL 21 -0.610 -1.919 -7.129
155 HG21 VAL 21 HG21 VAL 21 -2.131 -2.074 -3.775
156 HG22 VAL 21 HG22 VAL 21 -0.984 -3.288 -4.341
157 HG23 VAL 21 HG23 VAL 21 -2.228 -2.674 -5.430
158 HA PRO 22 HA PRO 22 2.849 -3.329 -1.527
159 HB2 PRO 22 HB2 PRO 22 0.695 -3.916 0.409
160 HB3 PRO 22 HB3 PRO 22 2.337 -3.347 0.693
161 HG2 PRO 22 HG2 PRO 22 0.264 -1.712 0.988
162 HG3 PRO 22 HG3 PRO 22 1.785 -1.138 0.280
163 HD2 PRO 22 HD2 PRO 22 -0.766 -1.902 -1.086
164 HD3 PRO 22 HD3 PRO 22 0.311 -0.525 -1.397
165 H ARG 23 H ARG 23 3.255 -5.467 -1.562
166 HA ARG 23 HA ARG 23 1.357 -7.299 -2.688
167 HB2 ARG 23 HB2 ARG 23 4.003 -7.820 -1.301
168 HB3 ARG 23 HB3 ARG 23 3.081 -9.008 -2.205
169 HG2 ARG 23 HG2 ARG 23 3.387 -7.681 -4.244
170 HG3 ARG 23 HG3 ARG 23 4.344 -6.517 -3.327
171 HD2 ARG 23 HD2 ARG 23 5.921 -8.337 -2.758
172 HD3 ARG 23 HD3 ARG 23 4.995 -9.426 -3.785
173 HE ARG 23 HE ARG 23 5.663 -7.250 -5.357
174 HH11 ARG 23 HH11 ARG 23 7.324 -9.791 -3.626
175 HH12 ARG 23 HH12 ARG 23 8.711 -9.772 -4.667
176 HH21 ARG 23 HH21 ARG 23 7.504 -7.207 -6.729
177 HH22 ARG 23 HH22 ARG 23 8.817 -8.302 -6.429
178 H LEU 24 H LEU 24 -0.377 -7.754 -1.491
179 HA LEU 24 HA LEU 24 -0.638 -7.013 1.150
180 HB2 LEU 24 HB2 LEU 24 -2.271 -8.013 -0.900
181 HB3 LEU 24 HB3 LEU 24 -2.593 -8.963 0.532
182 HG LEU 24 HG LEU 24 -4.084 -7.010 0.306
183 HD11 LEU 24 HD11 LEU 24 -3.627 -7.970 2.502
184 HD12 LEU 24 HD12 LEU 24 -3.869 -6.225 2.596
185 HD13 LEU 24 HD13 LEU 24 -2.240 -6.896 2.680
186 HD21 LEU 24 HD21 LEU 24 -1.584 -5.395 0.776
187 HD22 LEU 24 HD22 LEU 24 -3.231 -4.774 0.651
188 HD23 LEU 24 HD23 LEU 24 -2.455 -5.504 -0.753
189 HA PRO 25 HA PRO 25 -0.442 -11.817 2.341
190 HB2 PRO 25 HB2 PRO 25 1.820 -12.393 0.487
191 HB3 PRO 25 HB3 PRO 25 0.556 -13.474 1.079
192 HG2 PRO 25 HG2 PRO 25 0.412 -12.527 -1.368
193 HG3 PRO 25 HG3 PRO 25 -1.047 -12.564 -0.357
194 HD2 PRO 25 HD2 PRO 25 0.730 -10.253 -1.041
195 HD3 PRO 25 HD3 PRO 25 -1.036 -10.323 -0.930
196 H ASP 26 H ASP 26 2.253 -9.728 1.431
197 HA ASP 26 HA ASP 26 3.577 -10.478 3.960
198 HB2 ASP 26 HB2 ASP 26 4.756 -9.692 1.309
199 HB3 ASP 26 HB3 ASP 26 5.692 -9.606 2.797
200 H TYR 27 H TYR 27 2.031 -8.013 2.310
201 HA TYR 27 HA TYR 27 1.782 -5.783 2.558
202 HB2 TYR 27 HB2 TYR 27 2.375 -6.735 5.291
203 HB3 TYR 27 HB3 TYR 27 2.566 -5.007 5.026
204 HD1 TYR 27 HD2 TYR 27 0.426 -4.329 3.201
205 HD2 TYR 27 HD1 TYR 27 0.404 -7.058 6.466
206 HE1 TYR 27 HE2 TYR 27 -1.996 -4.006 3.447
207 HE2 TYR 27 HE1 TYR 27 -2.021 -6.739 6.719
208 HH TYR 27 HH TYR 27 -3.703 -4.830 6.112
209 H ILE 28 H ILE 28 4.164 -6.558 1.318
210 HA ILE 28 HA ILE 28 6.059 -4.551 2.322
211 HB ILE 28 HB ILE 28 7.737 -5.744 0.842
212 HG12 ILE 28 HG12 ILE 28 5.657 -7.938 0.961
213 HG13 ILE 28 HG13 ILE 28 6.057 -7.015 -0.479
214 HG21 ILE 28 HG21 ILE 28 8.198 -7.460 2.524
215 HG22 ILE 28 HG22 ILE 28 6.590 -7.222 3.205
216 HG23 ILE 28 HG23 ILE 28 7.774 -5.915 3.259
217 HD11 ILE 28 HD11 ILE 28 8.326 -7.903 -0.420
218 HD12 ILE 28 HD12 ILE 28 7.126 -9.194 -0.491
219 HD13 ILE 28 HD13 ILE 28 7.929 -8.818 1.034
220 H CYS 29 H CYS 29 7.614 -4.123 0.237
221 HA CYS 29 HA CYS 29 5.954 -2.462 -1.475
222 HB2 CYS 29 HB2 CYS 29 8.025 -1.630 -0.350
223 HB3 CYS 29 HB3 CYS 29 8.960 -2.778 -1.283
224 HA PRO 30 HA PRO 30 6.272 -5.421 -4.782
225 HB2 PRO 30 HB2 PRO 30 5.416 -3.883 -6.831
226 HB3 PRO 30 HB3 PRO 30 4.318 -4.480 -5.582
227 HG2 PRO 30 HG2 PRO 30 5.525 -1.774 -5.913
228 HG3 PRO 30 HG3 PRO 30 3.903 -2.219 -5.358
229 HD2 PRO 30 HD2 PRO 30 5.995 -1.496 -3.710
230 HD3 PRO 30 HD3 PRO 30 4.591 -2.457 -3.195
231 H ARG 31 H ARG 31 7.920 -2.421 -4.629
232 HA ARG 31 HA ARG 31 9.626 -2.996 -6.900
233 HB2 ARG 31 HB2 ARG 31 10.092 -0.720 -5.024
234 HB3 ARG 31 HB3 ARG 31 10.362 -0.806 -6.755
235 HG2 ARG 31 HG2 ARG 31 7.657 -1.096 -6.568
236 HG3 ARG 31 HG3 ARG 31 8.011 0.013 -5.249
237 HD2 ARG 31 HD2 ARG 31 7.574 1.292 -7.208
238 HD3 ARG 31 HD3 ARG 31 9.287 1.411 -6.838
239 HE ARG 31 HE ARG 31 8.777 -0.687 -8.686
240 HH11 ARG 31 HH11 ARG 31 9.073 2.789 -8.451
241 HH12 ARG 31 HH12 ARG 31 9.506 2.997 -10.115
242 HH21 ARG 31 HH21 ARG 31 9.366 -0.422 -10.880
243 HH22 ARG 31 HH22 ARG 31 9.677 1.168 -11.499
244 H CYS 32 H CYS 32 10.114 -2.330 -3.389
245 HA CYS 32 HA CYS 32 12.781 -3.516 -3.745
246 HB2 CYS 32 HB2 CYS 32 13.617 -2.088 -1.998
247 HB3 CYS 32 HB3 CYS 32 12.774 -1.101 -3.184
248 H GLU 33 H GLU 33 9.836 -4.128 -2.346
249 HA GLU 33 HA GLU 33 9.048 -5.656 -0.858
250 HB2 GLU 33 HB2 GLU 33 11.752 -6.903 -1.362
251 HB3 GLU 33 HB3 GLU 33 10.384 -7.714 -0.618
252 HG2 GLU 33 HG2 GLU 33 9.117 -7.583 -2.634
253 HG3 GLU 33 HG3 GLU 33 10.336 -6.556 -3.389
254 H SER 34 H SER 34 10.063 -3.410 0.379
255 HA SER 34 HA SER 34 11.878 -4.234 2.480
256 HB2 SER 34 HB2 SER 34 12.442 -2.124 1.649
257 HB3 SER 34 HB3 SER 34 10.762 -1.604 1.558
258 HG SER 34 HG SER 34 12.501 -1.199 3.518
259 H GLY 35 H GLY 35 8.690 -2.620 2.399
260 HA2 GLY 35 HA2 GLY 35 6.912 -3.519 3.826
261 HA3 GLY 35 HA3 GLY 35 8.162 -3.814 5.023
262 H PHE 36 H PHE 36 9.487 -1.250 4.387
263 HA PHE 36 HA PHE 36 8.054 0.447 6.167
264 HB2 PHE 36 HB2 PHE 36 10.537 0.732 4.520
265 HB3 PHE 36 HB3 PHE 36 9.815 2.160 5.251
266 HD1 PHE 36 HD2 PHE 36 10.625 -1.339 6.293
267 HD2 PHE 36 HD1 PHE 36 10.708 2.809 7.227
268 HE1 PHE 36 HE2 PHE 36 11.734 -1.851 8.430
269 HE2 PHE 36 HE1 PHE 36 11.813 2.308 9.370
270 HZ PHE 36 HZ PHE 36 12.328 -0.023 9.973
271 H ILE 37 H ILE 37 6.025 0.680 5.221
272 HA ILE 37 HA ILE 37 5.923 2.600 3.012
273 HB ILE 37 HB ILE 37 3.952 1.390 2.092
274 HG12 ILE 37 HG12 ILE 37 4.781 -0.669 4.138
275 HG13 ILE 37 HG13 ILE 37 3.213 0.080 3.945
276 HG21 ILE 37 HG21 ILE 37 6.029 1.161 0.965
277 HG22 ILE 37 HG22 ILE 37 5.296 -0.443 1.041
278 HG23 ILE 37 HG23 ILE 37 6.607 -0.019 2.143
279 HD11 ILE 37 HD11 ILE 37 4.472 -1.840 2.003
280 HD12 ILE 37 HD12 ILE 37 2.868 -1.120 1.868
281 HD13 ILE 37 HD13 ILE 37 3.225 -2.236 3.185
282 H GLU 38 H GLU 38 4.032 3.887 2.960
283 HA GLU 38 HA GLU 38 2.684 4.050 5.565
284 HB2 GLU 38 HB2 GLU 38 3.419 6.202 3.607
285 HB3 GLU 38 HB3 GLU 38 2.375 6.467 4.998
286 HG2 GLU 38 HG2 GLU 38 5.256 5.611 5.035
287 HG3 GLU 38 HG3 GLU 38 4.598 7.170 5.508
288 H GLU 39 H GLU 39 0.538 3.816 5.593
289 HA GLU 39 HA GLU 39 -0.880 3.462 3.097
290 HB2 GLU 39 HB2 GLU 39 -1.214 1.981 5.092
291 HB3 GLU 39 HB3 GLU 39 -1.942 3.339 5.927
292 HG2 GLU 39 HG2 GLU 39 -3.110 2.687 3.306
293 HG3 GLU 39 HG3 GLU 39 -3.317 1.471 4.565
294 H LEU 40 H LEU 40 -1.716 5.098 2.052
295 HA LEU 40 HA LEU 40 -1.708 7.716 3.237
296 HB2 LEU 40 HB2 LEU 40 -2.504 6.819 0.476
297 HB3 LEU 40 HB3 LEU 40 -2.298 8.485 0.976
298 HG LEU 40 HG LEU 40 -0.104 6.408 0.891
299 HD11 LEU 40 HD11 LEU 40 -0.695 8.718 -0.940
300 HD12 LEU 40 HD12 LEU 40 -0.828 7.001 -1.329
301 HD13 LEU 40 HD13 LEU 40 0.751 7.708 -0.989
302 HD21 LEU 40 HD21 LEU 40 -0.014 9.364 1.474
303 HD22 LEU 40 HD22 LEU 40 1.389 8.317 1.276
304 HD23 LEU 40 HD23 LEU 40 0.285 8.063 2.626