Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
594967 | 2mvt RC | 25283 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 -7.411 5.238 -9.937
2 H2 ALA 1 H2 ALA 1 -6.366 6.489 -10.414
3 H3 ALA 1 H3 ALA 1 -5.791 4.894 -10.303
4 HA ALA 1 HA ALA 1 -7.046 6.203 -12.486
5 HB1 ALA 1 HB1 ALA 1 -6.139 3.346 -12.483
6 HB2 ALA 1 HB2 ALA 1 -4.945 4.614 -12.211
7 HB3 ALA 1 HB3 ALA 1 -5.888 4.596 -13.701
8 H ASP 2 H ASP 2 -8.608 4.832 -10.075
9 HA ASP 2 HA ASP 2 -10.589 3.697 -9.794
10 HB2 ASP 2 HB2 ASP 2 -11.166 5.711 -11.318
11 HB3 ASP 2 HB3 ASP 2 -11.282 4.512 -12.604
12 H ASP 3 H ASP 3 -8.258 2.378 -11.298
13 HA ASP 3 HA ASP 3 -9.691 0.387 -12.898
14 HB2 ASP 3 HB2 ASP 3 -7.306 1.513 -13.338
15 HB3 ASP 3 HB3 ASP 3 -6.773 0.152 -12.353
16 H LYS 4 H LYS 4 -7.613 0.563 -10.020
17 HA LYS 4 HA LYS 4 -8.993 -1.723 -8.868
18 HB2 LYS 4 HB2 LYS 4 -6.866 -2.398 -10.343
19 HB3 LYS 4 HB3 LYS 4 -6.025 -1.966 -8.853
20 HG2 LYS 4 HG2 LYS 4 -7.411 -3.521 -7.576
21 HG3 LYS 4 HG3 LYS 4 -8.351 -3.905 -9.018
22 HD2 LYS 4 HD2 LYS 4 -6.587 -5.076 -10.018
23 HD3 LYS 4 HD3 LYS 4 -5.366 -4.266 -9.037
24 HE2 LYS 4 HE2 LYS 4 -5.748 -6.630 -8.330
25 HE3 LYS 4 HE3 LYS 4 -6.102 -5.472 -7.048
26 HZ1 LYS 4 HZ1 LYS 4 -7.828 -7.177 -7.287
27 HZ2 LYS 4 HZ2 LYS 4 -8.123 -6.653 -8.876
28 HZ3 LYS 4 HZ3 LYS 4 -8.432 -5.617 -7.565
29 H CYS 5 H CYS 5 -7.921 1.266 -8.566
30 HA CYS 5 HA CYS 5 -7.164 0.959 -5.721
31 HB2 CYS 5 HB2 CYS 5 -6.538 3.434 -7.290
32 HB3 CYS 5 HB3 CYS 5 -5.706 2.757 -5.890
33 H GLU 6 H GLU 6 -8.508 3.460 -7.894
34 HA GLU 6 HA GLU 6 -10.027 4.690 -5.812
35 HB2 GLU 6 HB2 GLU 6 -9.366 5.251 -8.526
36 HB3 GLU 6 HB3 GLU 6 -11.123 5.300 -8.384
37 HG2 GLU 6 HG2 GLU 6 -10.384 7.500 -7.845
38 HG3 GLU 6 HG3 GLU 6 -10.772 6.743 -6.301
39 H ASP 7 H ASP 7 -10.641 2.179 -8.163
40 HA ASP 7 HA ASP 7 -13.428 2.112 -8.178
41 HB2 ASP 7 HB2 ASP 7 -11.705 0.698 -9.507
42 HB3 ASP 7 HB3 ASP 7 -11.778 -0.402 -8.131
43 H SER 8 H SER 8 -11.140 0.560 -5.943
44 HA SER 8 HA SER 8 -13.394 -0.184 -4.195
45 HB2 SER 8 HB2 SER 8 -10.859 -1.124 -3.234
46 HB3 SER 8 HB3 SER 8 -12.239 -2.060 -3.800
47 HG SER 8 HG SER 8 -11.179 -2.414 -5.569
48 H LEU 9 H LEU 9 -13.871 1.250 -2.660
49 HA LEU 9 HA LEU 9 -12.039 3.298 -1.837
50 HB2 LEU 9 HB2 LEU 9 -14.843 2.535 -1.220
51 HB3 LEU 9 HB3 LEU 9 -13.987 3.479 -0.000
52 HG LEU 9 HG LEU 9 -13.352 5.114 -1.789
53 HD11 LEU 9 HD11 LEU 9 -13.510 3.662 -3.732
54 HD12 LEU 9 HD12 LEU 9 -14.666 4.980 -3.921
55 HD13 LEU 9 HD13 LEU 9 -15.225 3.382 -3.429
56 HD21 LEU 9 HD21 LEU 9 -15.338 6.289 -1.570
57 HD22 LEU 9 HD22 LEU 9 -15.573 5.069 -0.319
58 HD23 LEU 9 HD23 LEU 9 -16.334 4.871 -1.897
59 H ARG 10 H ARG 10 -12.214 0.085 -1.070
60 HA ARG 10 HA ARG 10 -11.411 0.434 1.733
61 HB2 ARG 10 HB2 ARG 10 -12.488 -1.794 0.104
62 HB3 ARG 10 HB3 ARG 10 -11.312 -2.239 1.342
63 HG2 ARG 10 HG2 ARG 10 -13.447 -0.314 2.131
64 HG3 ARG 10 HG3 ARG 10 -13.927 -1.995 1.895
65 HD2 ARG 10 HD2 ARG 10 -11.527 -1.259 3.569
66 HD3 ARG 10 HD3 ARG 10 -13.148 -1.316 4.256
67 HE ARG 10 HE ARG 10 -12.229 -3.693 2.810
68 HH11 ARG 10 HH21 ARG 10 -12.824 -2.035 5.788
69 HH12 ARG 10 HH22 ARG 10 -12.840 -3.477 6.748
70 HH21 ARG 10 HH11 ARG 10 -12.245 -5.588 4.063
71 HH22 ARG 10 HH12 ARG 10 -12.511 -5.487 5.771
72 H ARG 11 H ARG 11 -10.183 -0.586 -1.398
73 HA ARG 11 HA ARG 11 -7.666 -1.547 -0.396
74 HB2 ARG 11 HB2 ARG 11 -8.672 -0.841 -3.155
75 HB3 ARG 11 HB3 ARG 11 -7.021 -1.387 -2.857
76 HG2 ARG 11 HG2 ARG 11 -7.868 -3.460 -1.846
77 HG3 ARG 11 HG3 ARG 11 -9.528 -2.914 -2.093
78 HD2 ARG 11 HD2 ARG 11 -9.350 -3.067 -4.446
79 HD3 ARG 11 HD3 ARG 11 -7.591 -3.122 -4.395
80 HE ARG 11 HE ARG 11 -8.215 -5.371 -3.074
81 HH11 ARG 11 HH21 ARG 11 -9.448 -3.974 -5.991
82 HH12 ARG 11 HH22 ARG 11 -9.853 -5.496 -6.712
83 HH21 ARG 11 HH11 ARG 11 -8.741 -7.369 -4.014
84 HH22 ARG 11 HH12 ARG 11 -9.451 -7.418 -5.593
85 H GLU 12 H GLU 12 -8.922 1.502 -1.599
86 HA GLU 12 HA GLU 12 -6.495 2.856 -2.027
87 HB2 GLU 12 HB2 GLU 12 -8.530 3.829 -2.837
88 HB3 GLU 12 HB3 GLU 12 -9.231 3.855 -1.219
89 HG2 GLU 12 HG2 GLU 12 -7.840 5.602 -0.503
90 HG3 GLU 12 HG3 GLU 12 -6.657 5.308 -1.777
91 H ILE 13 H ILE 13 -8.611 2.828 0.850
92 HA ILE 13 HA ILE 13 -7.111 4.443 2.522
93 HB ILE 13 HB ILE 13 -8.580 1.934 3.363
94 HG12 ILE 13 HG12 ILE 13 -9.612 4.764 2.977
95 HG13 ILE 13 HG13 ILE 13 -9.963 3.404 1.909
96 HG21 ILE 13 HG21 ILE 13 -8.985 3.439 5.406
97 HG22 ILE 13 HG22 ILE 13 -7.700 4.463 4.764
98 HG23 ILE 13 HG23 ILE 13 -7.355 2.792 5.212
99 HD11 ILE 13 HD11 ILE 13 -10.492 2.962 4.798
100 HD12 ILE 13 HD12 ILE 13 -11.417 2.439 3.391
101 HD13 ILE 13 HD13 ILE 13 -11.564 4.095 3.977
102 H ALA 14 H ALA 14 -6.475 1.204 1.441
103 HA ALA 14 HA ALA 14 -4.421 0.723 3.446
104 HB1 ALA 14 HB1 ALA 14 -5.389 -0.857 1.059
105 HB2 ALA 14 HB2 ALA 14 -5.669 -1.204 2.765
106 HB3 ALA 14 HB3 ALA 14 -4.052 -1.377 2.084
107 H CYS 15 H CYS 15 -4.564 1.104 -0.099
108 HA CYS 15 HA CYS 15 -1.717 1.193 -0.397
109 HB2 CYS 15 HB2 CYS 15 -3.973 1.986 -2.252
110 HB3 CYS 15 HB3 CYS 15 -2.270 1.987 -2.713
111 H THR 16 H THR 16 -4.016 3.417 0.696
112 HA THR 16 HA THR 16 -2.723 5.819 -0.241
113 HB THR 16 HB THR 16 -4.936 5.231 1.713
114 HG1 THR 16 HG1 THR 16 -6.066 5.727 0.033
115 HG21 THR 16 HG21 THR 16 -3.353 7.753 1.342
116 HG22 THR 16 HG22 THR 16 -3.991 7.046 2.827
117 HG23 THR 16 HG23 THR 16 -5.078 7.854 1.697
118 H LYS 17 H LYS 17 -2.611 3.796 2.623
119 HA LYS 17 HA LYS 17 -0.979 5.687 4.107
120 HB2 LYS 17 HB2 LYS 17 -1.842 2.845 4.684
121 HB3 LYS 17 HB3 LYS 17 -0.881 3.831 5.787
122 HG2 LYS 17 HG2 LYS 17 -2.692 5.540 5.790
123 HG3 LYS 17 HG3 LYS 17 -3.662 4.480 4.766
124 HD2 LYS 17 HD2 LYS 17 -3.683 2.757 6.484
125 HD3 LYS 17 HD3 LYS 17 -2.588 3.703 7.493
126 HE2 LYS 17 HE2 LYS 17 -4.707 5.445 6.889
127 HE3 LYS 17 HE3 LYS 17 -5.473 3.898 7.249
128 HZ1 LYS 17 HZ1 LYS 17 -4.255 5.729 9.022
129 HZ2 LYS 17 HZ2 LYS 17 -3.454 4.233 9.111
130 HZ3 LYS 17 HZ3 LYS 17 -5.129 4.320 9.381
131 H CYS 18 H CYS 18 -0.540 3.012 1.960
132 HA CYS 18 HA CYS 18 2.083 2.252 2.773
133 HB2 CYS 18 HB2 CYS 18 0.542 1.882 0.202
134 HB3 CYS 18 HB3 CYS 18 2.166 1.239 0.444
135 H ARG 19 H ARG 19 0.813 4.669 0.554
136 HA ARG 19 HA ARG 19 3.363 5.298 -0.619
137 HB2 ARG 19 HB2 ARG 19 2.207 7.119 -1.697
138 HB3 ARG 19 HB3 ARG 19 1.150 5.707 -1.733
139 HG2 ARG 19 HG2 ARG 19 -0.422 7.021 -0.783
140 HG3 ARG 19 HG3 ARG 19 0.536 6.926 0.692
141 HD2 ARG 19 HD2 ARG 19 1.744 8.942 0.108
142 HD3 ARG 19 HD3 ARG 19 0.975 8.994 -1.475
143 HE ARG 19 HE ARG 19 -0.754 9.129 0.896
144 HH11 ARG 19 HH21 ARG 19 0.789 10.647 -1.806
145 HH12 ARG 19 HH22 ARG 19 -0.236 12.042 -1.782
146 HH21 ARG 19 HH11 ARG 19 -2.101 10.953 0.930
147 HH22 ARG 19 HH12 ARG 19 -1.874 12.215 -0.234
148 H ASP 20 H ASP 20 1.539 6.356 2.161
149 HA ASP 20 HA ASP 20 3.200 8.698 2.608
150 HB2 ASP 20 HB2 ASP 20 0.805 7.482 3.892
151 HB3 ASP 20 HB3 ASP 20 1.848 8.475 4.907
152 H ARG 21 H ARG 21 3.282 5.366 3.340
153 HA ARG 21 HA ARG 21 4.719 5.477 5.804
154 HB2 ARG 21 HB2 ARG 21 3.541 3.480 4.285
155 HB3 ARG 21 HB3 ARG 21 5.266 3.136 4.145
156 HG2 ARG 21 HG2 ARG 21 3.900 3.683 6.791
157 HG3 ARG 21 HG3 ARG 21 4.124 2.059 6.138
158 HD2 ARG 21 HD2 ARG 21 6.635 2.907 5.869
159 HD3 ARG 21 HD3 ARG 21 6.159 3.984 7.179
160 HE ARG 21 HE ARG 21 5.344 1.654 8.171
161 HH11 ARG 21 HH21 ARG 21 8.231 2.487 6.450
162 HH12 ARG 21 HH22 ARG 21 9.206 1.287 7.231
163 HH21 ARG 21 HH11 ARG 21 6.616 0.081 9.196
164 HH22 ARG 21 HH12 ARG 21 8.291 -0.075 8.785
165 H VAL 22 H VAL 22 5.745 4.874 2.439
166 HA VAL 22 HA VAL 22 8.541 5.287 3.230
167 HB VAL 22 HB VAL 22 7.399 4.457 0.553
168 HG11 VAL 22 HG11 VAL 22 10.061 5.146 1.526
169 HG12 VAL 22 HG12 VAL 22 9.513 4.868 -0.127
170 HG13 VAL 22 HG13 VAL 22 10.005 3.505 0.879
171 HG21 VAL 22 HG21 VAL 22 6.921 2.547 1.706
172 HG22 VAL 22 HG22 VAL 22 7.972 2.984 3.054
173 HG23 VAL 22 HG23 VAL 22 8.659 2.266 1.597
174 H ARG 23 H ARG 23 6.005 7.161 2.304
175 HA ARG 23 HA ARG 23 5.774 9.230 1.334
176 HB2 ARG 23 HB2 ARG 23 8.590 9.294 2.404
177 HB3 ARG 23 HB3 ARG 23 7.868 10.689 1.606
178 HG2 ARG 23 HG2 ARG 23 5.929 10.497 3.215
179 HG3 ARG 23 HG3 ARG 23 6.864 9.284 4.091
180 HD2 ARG 23 HD2 ARG 23 8.602 10.859 4.589
181 HD3 ARG 23 HD3 ARG 23 7.927 12.049 3.480
182 HE ARG 23 HE ARG 23 6.972 11.440 6.168
183 HH11 ARG 23 HH21 ARG 23 6.421 12.922 3.090
184 HH12 ARG 23 HH22 ARG 23 5.224 14.026 3.680
185 HH21 ARG 23 HH11 ARG 23 5.399 12.883 6.949
186 HH22 ARG 23 HH12 ARG 23 4.643 14.001 5.865
187 H THR 24 H THR 24 6.434 7.072 -0.439
188 HA THR 24 HA THR 24 7.819 8.600 -2.555
189 HB THR 24 HB THR 24 8.016 5.607 -2.155
190 HG1 THR 24 HG1 THR 24 10.320 6.495 -1.790
191 HG21 THR 24 HG21 THR 24 8.618 7.394 -4.333
192 HG22 THR 24 HG22 THR 24 8.798 5.641 -4.261
193 HG23 THR 24 HG23 THR 24 10.113 6.684 -3.721
194 H ASP 25 H ASP 25 6.485 8.998 -4.186
195 HA ASP 25 HA ASP 25 3.895 7.998 -4.451
196 HB2 ASP 25 HB2 ASP 25 5.773 9.511 -6.169
197 HB3 ASP 25 HB3 ASP 25 4.458 8.686 -7.003
198 H ASP 26 H ASP 26 6.872 6.491 -5.171
199 HA ASP 26 HA ASP 26 5.891 4.738 -7.241
200 HB2 ASP 26 HB2 ASP 26 8.386 5.488 -6.441
201 HB3 ASP 26 HB3 ASP 26 8.258 3.894 -5.700
202 H TYR 27 H TYR 27 5.859 4.787 -3.792
203 HA TYR 27 HA TYR 27 5.557 1.945 -3.430
204 HB2 TYR 27 HB2 TYR 27 5.966 4.208 -1.761
205 HB3 TYR 27 HB3 TYR 27 4.472 3.436 -1.233
206 HD1 TYR 27 HD1 TYR 27 7.987 2.591 -2.236
207 HD2 TYR 27 HD2 TYR 27 4.579 1.570 0.171
208 HE1 TYR 27 HE1 TYR 27 9.299 0.793 -1.140
209 HE2 TYR 27 HE2 TYR 27 5.890 -0.227 1.267
210 HH TYR 27 HH TYR 27 9.282 -0.488 0.938
211 H PHE 28 H PHE 28 3.449 4.664 -4.003
212 HA PHE 28 HA PHE 28 1.008 3.550 -3.134
213 HB2 PHE 28 HB2 PHE 28 1.703 5.972 -4.043
214 HB3 PHE 28 HB3 PHE 28 1.023 5.314 -5.531
215 HD1 PHE 28 HD1 PHE 28 -1.149 3.633 -4.729
216 HD2 PHE 28 HD2 PHE 28 0.136 7.349 -3.005
217 HE1 PHE 28 HE1 PHE 28 -3.436 4.016 -3.851
218 HE2 PHE 28 HE2 PHE 28 -2.150 7.733 -2.127
219 HZ PHE 28 HZ PHE 28 -3.937 6.066 -2.549
220 H TYR 29 H TYR 29 2.132 3.920 -6.499
221 HA TYR 29 HA TYR 29 0.243 2.248 -7.683
222 HB2 TYR 29 HB2 TYR 29 1.741 3.780 -8.927
223 HB3 TYR 29 HB3 TYR 29 3.098 2.710 -8.580
224 HD1 TYR 29 HD1 TYR 29 -0.439 2.347 -9.801
225 HD2 TYR 29 HD2 TYR 29 3.690 1.279 -10.310
226 HE1 TYR 29 HE1 TYR 29 -1.043 0.947 -11.757
227 HE2 TYR 29 HE2 TYR 29 3.087 -0.121 -12.265
228 HH TYR 29 HH TYR 29 1.400 -0.474 -13.822
229 H GLU 30 H GLU 30 3.252 1.476 -6.058
230 HA GLU 30 HA GLU 30 3.458 -1.216 -6.966
231 HB2 GLU 30 HB2 GLU 30 4.702 0.427 -4.810
232 HB3 GLU 30 HB3 GLU 30 4.818 -1.329 -4.681
233 HG2 GLU 30 HG2 GLU 30 5.684 -1.371 -7.045
234 HG3 GLU 30 HG3 GLU 30 5.734 0.391 -7.001
235 H CYS 31 H CYS 31 1.289 0.295 -4.867
236 HA CYS 31 HA CYS 31 0.814 -2.095 -3.245
237 HB2 CYS 31 HB2 CYS 31 0.753 0.062 -2.105
238 HB3 CYS 31 HB3 CYS 31 -0.493 0.635 -3.214
239 H CYS 32 H CYS 32 -0.579 -0.309 -5.914
240 HA CYS 32 HA CYS 32 -3.062 -1.822 -5.850
241 HB2 CYS 32 HB2 CYS 32 -2.249 0.649 -6.928
242 HB3 CYS 32 HB3 CYS 32 -2.643 -0.377 -8.307
243 H THR 33 H THR 33 -0.044 -2.655 -6.690
244 HA THR 33 HA THR 33 -0.996 -4.445 -8.843
245 HB THR 33 HB THR 33 1.711 -4.161 -9.316
246 HG1 THR 33 HG1 THR 33 1.163 -2.204 -7.806
247 HG21 THR 33 HG21 THR 33 0.789 -2.554 -11.172
248 HG22 THR 33 HG22 THR 33 -0.786 -2.992 -10.509
249 HG23 THR 33 HG23 THR 33 0.277 -4.241 -11.158
250 H SER 34 H SER 34 0.762 -6.245 -9.166
251 HA SER 34 HA SER 34 1.598 -8.198 -8.286
252 HB2 SER 34 HB2 SER 34 3.567 -6.964 -7.843
253 HB3 SER 34 HB3 SER 34 2.818 -6.089 -6.511
254 HG SER 34 HG SER 34 3.942 -8.610 -6.596
255 H GLU 35 H GLU 35 1.769 -9.555 -6.228
256 HA GLU 35 HA GLU 35 -0.684 -9.128 -4.638
257 HB2 GLU 35 HB2 GLU 35 -0.748 -11.176 -5.947
258 HB3 GLU 35 HB3 GLU 35 0.813 -11.676 -5.295
259 HG2 GLU 35 HG2 GLU 35 -0.070 -12.279 -3.270
260 HG3 GLU 35 HG3 GLU 35 -1.282 -10.999 -3.301
261 H SER 36 H SER 36 2.726 -10.070 -4.458
262 HA SER 36 HA SER 36 2.844 -10.515 -1.675
263 HB2 SER 36 HB2 SER 36 5.347 -9.593 -2.296
264 HB3 SER 36 HB3 SER 36 4.806 -11.255 -2.516
265 HG SER 36 HG SER 36 5.723 -9.892 -4.382
266 H THR 37 H THR 37 3.717 -7.619 -3.573
267 HA THR 37 HA THR 37 4.349 -5.946 -1.421
268 HB THR 37 HB THR 37 3.078 -5.136 -4.047
269 HG1 THR 37 HG1 THR 37 4.861 -5.960 -4.780
270 HG21 THR 37 HG21 THR 37 4.761 -3.144 -3.423
271 HG22 THR 37 HG22 THR 37 4.384 -3.695 -1.790
272 HG23 THR 37 HG23 THR 37 3.089 -3.166 -2.863
273 H PHE 38 H PHE 38 1.276 -6.951 -2.718
274 HA PHE 38 HA PHE 38 -0.316 -4.929 -1.471
275 HB2 PHE 38 HB2 PHE 38 -0.806 -6.744 -3.405
276 HB3 PHE 38 HB3 PHE 38 -1.515 -7.583 -2.026
277 HD1 PHE 38 HD2 PHE 38 -2.754 -5.720 -0.357
278 HD2 PHE 38 HD1 PHE 38 -2.357 -5.523 -4.630
279 HE1 PHE 38 HE2 PHE 38 -4.737 -4.235 -0.473
280 HE2 PHE 38 HE1 PHE 38 -4.341 -4.038 -4.746
281 HZ PHE 38 HZ PHE 38 -5.530 -3.395 -2.667
282 H LYS 39 H LYS 39 0.573 -8.260 -0.622
283 HA LYS 39 HA LYS 39 -0.927 -8.230 1.838
284 HB2 LYS 39 HB2 LYS 39 0.719 -10.141 0.333
285 HB3 LYS 39 HB3 LYS 39 0.872 -10.289 2.084
286 HG2 LYS 39 HG2 LYS 39 -0.968 -11.698 1.299
287 HG3 LYS 39 HG3 LYS 39 -1.608 -10.370 2.269
288 HD2 LYS 39 HD2 LYS 39 -1.908 -9.104 0.059
289 HD3 LYS 39 HD3 LYS 39 -1.624 -10.651 -0.740
290 HE2 LYS 39 HE2 LYS 39 -3.707 -10.314 1.425
291 HE3 LYS 39 HE3 LYS 39 -4.071 -10.057 -0.282
292 HZ1 LYS 39 HZ1 LYS 39 -2.905 -12.376 -0.494
293 HZ2 LYS 39 HZ2 LYS 39 -4.550 -12.259 -0.088
294 HZ3 LYS 39 HZ3 LYS 39 -3.390 -12.535 1.123
295 H LYS 40 H LYS 40 2.351 -7.508 0.852
296 HA LYS 40 HA LYS 40 3.491 -7.545 3.476
297 HB2 LYS 40 HB2 LYS 40 4.375 -6.411 0.828
298 HB3 LYS 40 HB3 LYS 40 5.315 -6.173 2.301
299 HG2 LYS 40 HG2 LYS 40 4.528 -8.942 2.085
300 HG3 LYS 40 HG3 LYS 40 5.339 -8.435 0.604
301 HD2 LYS 40 HD2 LYS 40 7.308 -7.825 1.744
302 HD3 LYS 40 HD3 LYS 40 6.488 -7.747 3.303
303 HE2 LYS 40 HE2 LYS 40 6.632 -10.002 3.644
304 HE3 LYS 40 HE3 LYS 40 6.393 -10.376 1.937
305 HZ1 LYS 40 HZ1 LYS 40 8.577 -10.389 1.561
306 HZ2 LYS 40 HZ2 LYS 40 8.751 -10.511 3.246
307 HZ3 LYS 40 HZ3 LYS 40 8.855 -8.995 2.486
308 H CYS 41 H CYS 41 1.685 -5.224 1.632
309 HA CYS 41 HA CYS 41 2.518 -2.847 2.902
310 HB2 CYS 41 HB2 CYS 41 0.451 -3.659 1.068
311 HB3 CYS 41 HB3 CYS 41 -0.226 -2.586 2.293
312 H GLN 42 H GLN 42 -0.438 -4.763 3.508
313 HA GLN 42 HA GLN 42 -1.329 -3.446 5.772
314 HB2 GLN 42 HB2 GLN 42 -2.081 -5.710 4.378
315 HB3 GLN 42 HB3 GLN 42 -1.643 -6.347 5.964
316 HG2 GLN 42 HG2 GLN 42 -3.085 -4.558 6.996
317 HG3 GLN 42 HG3 GLN 42 -3.631 -4.139 5.373
318 HE21 GLN 42 HE21 GLN 42 -2.977 -7.481 5.611
319 HE22 GLN 42 HE22 GLN 42 -4.571 -8.013 5.854
320 H THR 43 H THR 43 0.748 -6.352 5.690
321 HA THR 43 HA THR 43 1.203 -6.597 8.421
322 HB THR 43 HB THR 43 3.438 -7.123 6.501
323 HG1 THR 43 HG1 THR 43 0.850 -8.003 6.301
324 HG21 THR 43 HG21 THR 43 3.431 -7.695 8.992
325 HG22 THR 43 HG22 THR 43 3.792 -9.026 7.892
326 HG23 THR 43 HG23 THR 43 2.188 -8.887 8.611
327 H MET 44 H MET 44 2.547 -4.346 6.121
328 HA MET 44 HA MET 44 4.688 -3.471 7.856
329 HB2 MET 44 HB2 MET 44 3.928 -3.097 5.117
330 HB3 MET 44 HB3 MET 44 4.129 -1.515 5.870
331 HG2 MET 44 HG2 MET 44 6.253 -2.446 4.898
332 HG3 MET 44 HG3 MET 44 6.360 -2.088 6.621
333 HE1 MET 44 HE1 MET 44 7.064 -4.391 3.927
334 HE2 MET 44 HE2 MET 44 7.879 -5.663 4.833
335 HE3 MET 44 HE3 MET 44 8.377 -3.986 5.040
336 H LEU 45 H LEU 45 1.350 -2.756 7.427
337 HA LEU 45 HA LEU 45 1.489 -0.117 8.630
338 HB2 LEU 45 HB2 LEU 45 -0.709 -1.880 7.598
339 HB3 LEU 45 HB3 LEU 45 -1.096 -0.504 8.632
340 HG LEU 45 HG LEU 45 0.703 -0.191 6.231
341 HD11 LEU 45 HD11 LEU 45 -2.236 0.437 6.138
342 HD12 LEU 45 HD12 LEU 45 -1.679 -1.192 5.758
343 HD13 LEU 45 HD13 LEU 45 -1.113 0.178 4.803
344 HD21 LEU 45 HD21 LEU 45 0.022 1.489 8.308
345 HD22 LEU 45 HD22 LEU 45 -1.147 1.942 7.067
346 HD23 LEU 45 HD23 LEU 45 0.581 2.025 6.723
347 H HIS 46 H HIS 46 0.468 -3.383 9.547
348 HA HIS 46 HA HIS 46 -0.160 -2.496 12.261
349 HB2 HIS 46 HB2 HIS 46 -1.473 -4.255 10.848
350 HB3 HIS 46 HB3 HIS 46 -0.194 -5.358 11.355
351 HD1 HIS 46 HD1 HIS 46 0.129 -5.640 13.998
352 HD2 HIS 46 HD2 HIS 46 -3.364 -3.688 12.827
353 HE1 HIS 46 HE1 HIS 46 -1.401 -5.636 16.016
354 H GLN 47 H GLN 47 2.311 -4.213 10.483
355 HA GLN 47 HA GLN 47 4.179 -5.400 11.239
356 HB2 GLN 47 HB2 GLN 47 5.702 -3.838 12.450
357 HB3 GLN 47 HB3 GLN 47 4.964 -3.115 11.020
358 HG2 GLN 47 HG2 GLN 47 3.405 -1.876 12.322
359 HG3 GLN 47 HG3 GLN 47 3.752 -2.819 13.771
360 HE21 GLN 47 HE21 GLN 47 6.168 -1.460 11.501
361 HE22 GLN 47 HE22 GLN 47 6.882 -0.425 12.642
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 -6.218 7.221 -11.101
2 H2 ALA 1 H2 ALA 1 -6.294 5.541 -10.859
3 H3 ALA 1 H3 ALA 1 -7.496 6.552 -10.210
4 HA ALA 1 HA ALA 1 -8.190 7.176 -12.454
5 HB1 ALA 1 HB1 ALA 1 -7.236 6.122 -14.366
6 HB2 ALA 1 HB2 ALA 1 -6.370 4.945 -13.378
7 HB3 ALA 1 HB3 ALA 1 -5.862 6.634 -13.387
8 H ASP 2 H ASP 2 -8.952 5.616 -10.183
9 HA ASP 2 HA ASP 2 -10.119 3.686 -9.564
10 HB2 ASP 2 HB2 ASP 2 -11.758 4.321 -12.000
11 HB3 ASP 2 HB3 ASP 2 -12.299 3.828 -10.396
12 H ASP 3 H ASP 3 -7.890 3.004 -11.234
13 HA ASP 3 HA ASP 3 -8.771 1.159 -13.260
14 HB2 ASP 3 HB2 ASP 3 -6.536 2.398 -13.195
15 HB3 ASP 3 HB3 ASP 3 -6.045 1.225 -11.974
16 H LYS 4 H LYS 4 -7.169 0.759 -10.098
17 HA LYS 4 HA LYS 4 -8.746 -1.609 -9.545
18 HB2 LYS 4 HB2 LYS 4 -6.682 -2.273 -10.989
19 HB3 LYS 4 HB3 LYS 4 -5.762 -1.973 -9.514
20 HG2 LYS 4 HG2 LYS 4 -6.884 -3.676 -8.324
21 HG3 LYS 4 HG3 LYS 4 -8.211 -3.733 -9.485
22 HD2 LYS 4 HD2 LYS 4 -6.801 -4.735 -11.163
23 HD3 LYS 4 HD3 LYS 4 -5.360 -4.486 -10.176
24 HE2 LYS 4 HE2 LYS 4 -6.494 -6.846 -10.194
25 HE3 LYS 4 HE3 LYS 4 -5.949 -6.169 -8.659
26 HZ1 LYS 4 HZ1 LYS 4 -8.129 -5.503 -8.121
27 HZ2 LYS 4 HZ2 LYS 4 -8.263 -7.101 -8.685
28 HZ3 LYS 4 HZ3 LYS 4 -8.704 -5.802 -9.688
29 H CYS 5 H CYS 5 -7.541 1.175 -8.575
30 HA CYS 5 HA CYS 5 -7.307 0.292 -5.770
31 HB2 CYS 5 HB2 CYS 5 -5.327 1.732 -7.388
32 HB3 CYS 5 HB3 CYS 5 -5.706 2.524 -5.859
33 H GLU 6 H GLU 6 -7.518 3.260 -7.771
34 HA GLU 6 HA GLU 6 -8.889 4.748 -5.770
35 HB2 GLU 6 HB2 GLU 6 -7.682 5.362 -8.169
36 HB3 GLU 6 HB3 GLU 6 -9.394 5.577 -8.538
37 HG2 GLU 6 HG2 GLU 6 -9.611 6.988 -6.483
38 HG3 GLU 6 HG3 GLU 6 -7.867 6.858 -6.254
39 H ASP 7 H ASP 7 -9.896 2.118 -7.437
40 HA ASP 7 HA ASP 7 -12.640 2.992 -7.915
41 HB2 ASP 7 HB2 ASP 7 -12.982 0.758 -8.813
42 HB3 ASP 7 HB3 ASP 7 -11.509 1.444 -9.498
43 H SER 8 H SER 8 -10.827 0.835 -5.773
44 HA SER 8 HA SER 8 -13.264 0.335 -4.202
45 HB2 SER 8 HB2 SER 8 -10.548 -0.985 -4.240
46 HB3 SER 8 HB3 SER 8 -11.767 -1.337 -3.020
47 HG SER 8 HG SER 8 -13.061 -2.190 -4.545
48 H LEU 9 H LEU 9 -13.572 1.237 -2.253
49 HA LEU 9 HA LEU 9 -11.635 3.174 -1.294
50 HB2 LEU 9 HB2 LEU 9 -14.411 2.975 -1.206
51 HB3 LEU 9 HB3 LEU 9 -13.905 2.684 0.459
52 HG LEU 9 HG LEU 9 -12.389 4.743 0.182
53 HD11 LEU 9 HD11 LEU 9 -12.349 5.152 -2.128
54 HD12 LEU 9 HD12 LEU 9 -13.510 6.347 -1.551
55 HD13 LEU 9 HD13 LEU 9 -14.080 4.859 -2.307
56 HD21 LEU 9 HD21 LEU 9 -15.302 5.457 -0.071
57 HD22 LEU 9 HD22 LEU 9 -14.086 6.130 1.014
58 HD23 LEU 9 HD23 LEU 9 -14.747 4.524 1.318
59 H ARG 10 H ARG 10 -11.900 -0.076 -0.976
60 HA ARG 10 HA ARG 10 -11.085 -0.136 1.853
61 HB2 ARG 10 HB2 ARG 10 -11.311 -2.691 0.408
62 HB3 ARG 10 HB3 ARG 10 -11.987 -2.211 1.965
63 HG2 ARG 10 HG2 ARG 10 -13.614 -0.745 0.601
64 HG3 ARG 10 HG3 ARG 10 -13.096 -1.691 -0.794
65 HD2 ARG 10 HD2 ARG 10 -13.935 -3.705 0.111
66 HD3 ARG 10 HD3 ARG 10 -14.036 -3.034 1.737
67 HE ARG 10 HE ARG 10 -16.066 -2.902 -0.248
68 HH11 ARG 10 HH21 ARG 10 -14.481 -1.044 2.204
69 HH12 ARG 10 HH22 ARG 10 -15.855 -0.040 2.524
70 HH21 ARG 10 HH11 ARG 10 -17.873 -1.590 0.170
71 HH22 ARG 10 HH12 ARG 10 -17.775 -0.349 1.375
72 H ARG 11 H ARG 11 -9.933 -0.608 -1.390
73 HA ARG 11 HA ARG 11 -7.392 -1.730 -0.435
74 HB2 ARG 11 HB2 ARG 11 -8.214 -1.193 -3.294
75 HB3 ARG 11 HB3 ARG 11 -6.928 -2.255 -2.721
76 HG2 ARG 11 HG2 ARG 11 -9.158 -3.211 -1.386
77 HG3 ARG 11 HG3 ARG 11 -9.802 -2.778 -2.968
78 HD2 ARG 11 HD2 ARG 11 -7.276 -4.408 -2.655
79 HD3 ARG 11 HD3 ARG 11 -8.870 -5.153 -2.724
80 HE ARG 11 HE ARG 11 -8.767 -3.492 -4.924
81 HH11 ARG 11 HH21 ARG 11 -6.891 -6.096 -3.627
82 HH12 ARG 11 HH22 ARG 11 -6.372 -6.674 -5.175
83 HH21 ARG 11 HH11 ARG 11 -8.089 -4.247 -6.956
84 HH22 ARG 11 HH12 ARG 11 -7.051 -5.630 -7.058
85 H GLU 12 H GLU 12 -8.820 1.236 -1.183
86 HA GLU 12 HA GLU 12 -6.424 2.549 -2.156
87 HB2 GLU 12 HB2 GLU 12 -8.928 3.132 -2.653
88 HB3 GLU 12 HB3 GLU 12 -8.834 4.008 -1.124
89 HG2 GLU 12 HG2 GLU 12 -6.660 5.039 -2.100
90 HG3 GLU 12 HG3 GLU 12 -7.267 4.470 -3.654
91 H ILE 13 H ILE 13 -8.410 2.665 0.804
92 HA ILE 13 HA ILE 13 -6.755 4.457 2.223
93 HB ILE 13 HB ILE 13 -8.546 2.276 3.323
94 HG12 ILE 13 HG12 ILE 13 -9.101 5.175 2.610
95 HG13 ILE 13 HG13 ILE 13 -9.756 3.759 1.786
96 HG21 ILE 13 HG21 ILE 13 -8.662 3.821 5.288
97 HG22 ILE 13 HG22 ILE 13 -7.430 4.828 4.526
98 HG23 ILE 13 HG23 ILE 13 -7.042 3.179 5.017
99 HD11 ILE 13 HD11 ILE 13 -10.644 5.037 4.259
100 HD12 ILE 13 HD12 ILE 13 -10.377 3.306 4.462
101 HD13 ILE 13 HD13 ILE 13 -11.493 3.888 3.227
102 H ALA 14 H ALA 14 -6.468 1.093 1.499
103 HA ALA 14 HA ALA 14 -4.469 0.624 3.576
104 HB1 ALA 14 HB1 ALA 14 -6.156 -1.020 1.857
105 HB2 ALA 14 HB2 ALA 14 -5.396 -1.419 3.397
106 HB3 ALA 14 HB3 ALA 14 -4.486 -1.585 1.895
107 H CYS 15 H CYS 15 -4.621 1.683 0.336
108 HA CYS 15 HA CYS 15 -1.762 1.054 -0.068
109 HB2 CYS 15 HB2 CYS 15 -4.016 1.525 -2.013
110 HB3 CYS 15 HB3 CYS 15 -2.325 1.626 -2.504
111 H THR 16 H THR 16 -3.909 3.517 0.715
112 HA THR 16 HA THR 16 -2.379 5.660 -0.540
113 HB THR 16 HB THR 16 -4.796 5.679 1.281
114 HG1 THR 16 HG1 THR 16 -5.833 5.618 -0.530
115 HG21 THR 16 HG21 THR 16 -4.694 8.156 0.175
116 HG22 THR 16 HG22 THR 16 -2.972 7.823 0.358
117 HG23 THR 16 HG23 THR 16 -4.034 7.775 1.766
118 H LYS 17 H LYS 17 -2.744 4.094 2.557
119 HA LYS 17 HA LYS 17 -1.286 6.133 4.010
120 HB2 LYS 17 HB2 LYS 17 -2.572 3.520 4.663
121 HB3 LYS 17 HB3 LYS 17 -1.306 4.112 5.739
122 HG2 LYS 17 HG2 LYS 17 -3.702 5.759 4.880
123 HG3 LYS 17 HG3 LYS 17 -3.614 4.860 6.396
124 HD2 LYS 17 HD2 LYS 17 -1.268 6.210 6.522
125 HD3 LYS 17 HD3 LYS 17 -2.234 7.363 5.601
126 HE2 LYS 17 HE2 LYS 17 -2.544 7.879 7.933
127 HE3 LYS 17 HE3 LYS 17 -4.032 7.125 7.362
128 HZ1 LYS 17 HZ1 LYS 17 -3.016 6.303 9.543
129 HZ2 LYS 17 HZ2 LYS 17 -1.877 5.508 8.564
130 HZ3 LYS 17 HZ3 LYS 17 -3.530 5.141 8.418
131 H CYS 18 H CYS 18 -0.558 3.319 2.169
132 HA CYS 18 HA CYS 18 1.900 2.596 3.404
133 HB2 CYS 18 HB2 CYS 18 0.453 1.926 0.922
134 HB3 CYS 18 HB3 CYS 18 2.208 1.784 0.823
135 H ARG 19 H ARG 19 1.144 4.599 0.554
136 HA ARG 19 HA ARG 19 3.899 5.322 0.144
137 HB2 ARG 19 HB2 ARG 19 2.547 5.338 -1.802
138 HB3 ARG 19 HB3 ARG 19 1.296 6.305 -1.023
139 HG2 ARG 19 HG2 ARG 19 4.050 7.457 -1.158
140 HG3 ARG 19 HG3 ARG 19 3.116 7.407 -2.652
141 HD2 ARG 19 HD2 ARG 19 1.530 8.355 -0.383
142 HD3 ARG 19 HD3 ARG 19 2.939 9.365 -0.685
143 HE ARG 19 HE ARG 19 1.532 8.757 -3.108
144 HH11 ARG 19 HH21 ARG 19 1.536 10.720 -0.256
145 HH12 ARG 19 HH22 ARG 19 0.679 12.032 -0.993
146 HH21 ARG 19 HH11 ARG 19 0.412 10.474 -4.078
147 HH22 ARG 19 HH12 ARG 19 0.043 11.894 -3.156
148 H ASP 20 H ASP 20 1.031 6.961 1.456
149 HA ASP 20 HA ASP 20 1.990 9.474 1.931
150 HB2 ASP 20 HB2 ASP 20 -0.295 8.513 2.543
151 HB3 ASP 20 HB3 ASP 20 0.456 7.946 4.034
152 H ARG 21 H ARG 21 2.834 6.509 3.610
153 HA ARG 21 HA ARG 21 4.277 7.836 5.726
154 HB2 ARG 21 HB2 ARG 21 3.218 5.476 5.768
155 HB3 ARG 21 HB3 ARG 21 4.670 4.967 4.905
156 HG2 ARG 21 HG2 ARG 21 5.321 4.658 7.124
157 HG3 ARG 21 HG3 ARG 21 5.919 6.286 6.805
158 HD2 ARG 21 HD2 ARG 21 3.936 7.262 7.829
159 HD3 ARG 21 HD3 ARG 21 3.228 5.665 8.052
160 HE ARG 21 HE ARG 21 5.323 6.872 9.663
161 HH11 ARG 21 HH21 ARG 21 3.702 3.991 8.638
162 HH12 ARG 21 HH22 ARG 21 4.152 3.075 10.038
163 HH21 ARG 21 HH11 ARG 21 5.917 5.677 11.499
164 HH22 ARG 21 HH12 ARG 21 5.407 4.030 11.658
165 H VAL 22 H VAL 22 5.176 6.016 2.800
166 HA VAL 22 HA VAL 22 7.983 6.671 3.120
167 HB VAL 22 HB VAL 22 6.707 5.484 0.661
168 HG11 VAL 22 HG11 VAL 22 9.102 6.136 0.590
169 HG12 VAL 22 HG12 VAL 22 8.895 4.389 0.466
170 HG13 VAL 22 HG13 VAL 22 9.408 5.112 1.991
171 HG21 VAL 22 HG21 VAL 22 7.167 4.282 3.373
172 HG22 VAL 22 HG22 VAL 22 7.413 3.280 1.943
173 HG23 VAL 22 HG23 VAL 22 5.838 4.012 2.246
174 H ARG 23 H ARG 23 5.309 8.307 2.019
175 HA ARG 23 HA ARG 23 4.958 10.033 0.508
176 HB2 ARG 23 HB2 ARG 23 7.680 10.861 1.534
177 HB3 ARG 23 HB3 ARG 23 6.385 11.913 0.960
178 HG2 ARG 23 HG2 ARG 23 4.963 11.262 2.825
179 HG3 ARG 23 HG3 ARG 23 6.153 10.076 3.362
180 HD2 ARG 23 HD2 ARG 23 7.268 11.650 4.515
181 HD3 ARG 23 HD3 ARG 23 7.421 12.649 3.072
182 HE ARG 23 HE ARG 23 5.757 13.983 3.953
183 HH11 ARG 23 HH21 ARG 23 5.503 10.766 5.205
184 HH12 ARG 23 HH22 ARG 23 4.168 11.129 6.247
185 HH21 ARG 23 HH11 ARG 23 4.004 14.465 5.314
186 HH22 ARG 23 HH12 ARG 23 3.318 13.224 6.309
187 H THR 24 H THR 24 5.801 7.892 -0.950
188 HA THR 24 HA THR 24 7.447 9.200 -3.008
189 HB THR 24 HB THR 24 7.901 6.298 -2.425
190 HG1 THR 24 HG1 THR 24 9.601 6.953 -1.048
191 HG21 THR 24 HG21 THR 24 9.940 8.321 -3.285
192 HG22 THR 24 HG22 THR 24 8.743 7.759 -4.453
193 HG23 THR 24 HG23 THR 24 9.833 6.606 -3.683
194 H ASP 25 H ASP 25 6.130 9.310 -4.705
195 HA ASP 25 HA ASP 25 3.798 7.959 -5.197
196 HB2 ASP 25 HB2 ASP 25 5.835 9.226 -6.984
197 HB3 ASP 25 HB3 ASP 25 4.521 8.304 -7.714
198 H ASP 26 H ASP 26 7.072 6.836 -5.688
199 HA ASP 26 HA ASP 26 6.496 4.630 -7.374
200 HB2 ASP 26 HB2 ASP 26 8.767 5.198 -5.467
201 HB3 ASP 26 HB3 ASP 26 8.710 3.765 -6.492
202 H TYR 27 H TYR 27 6.158 5.136 -3.950
203 HA TYR 27 HA TYR 27 6.032 2.328 -3.291
204 HB2 TYR 27 HB2 TYR 27 6.227 4.780 -1.852
205 HB3 TYR 27 HB3 TYR 27 4.789 3.933 -1.285
206 HD1 TYR 27 HD1 TYR 27 8.427 3.446 -1.993
207 HD2 TYR 27 HD2 TYR 27 4.972 2.079 0.163
208 HE1 TYR 27 HE1 TYR 27 9.851 1.877 -0.702
209 HE2 TYR 27 HE2 TYR 27 6.396 0.512 1.453
210 HH TYR 27 HH TYR 27 9.917 0.342 0.890
211 H PHE 28 H PHE 28 3.698 4.972 -3.701
212 HA PHE 28 HA PHE 28 1.354 3.708 -2.966
213 HB2 PHE 28 HB2 PHE 28 1.884 6.122 -3.973
214 HB3 PHE 28 HB3 PHE 28 1.296 5.355 -5.448
215 HD1 PHE 28 HD1 PHE 28 -0.811 3.618 -4.737
216 HD2 PHE 28 HD2 PHE 28 0.225 7.374 -2.930
217 HE1 PHE 28 HE1 PHE 28 -3.146 3.880 -3.944
218 HE2 PHE 28 HE2 PHE 28 -2.109 7.636 -2.136
219 HZ PHE 28 HZ PHE 28 -3.795 5.889 -2.642
220 H TYR 29 H TYR 29 2.839 3.722 -6.212
221 HA TYR 29 HA TYR 29 0.933 1.949 -7.353
222 HB2 TYR 29 HB2 TYR 29 2.886 3.535 -8.374
223 HB3 TYR 29 HB3 TYR 29 3.657 1.953 -8.498
224 HD1 TYR 29 HD1 TYR 29 2.658 0.159 -9.847
225 HD2 TYR 29 HD2 TYR 29 0.878 4.062 -9.639
226 HE1 TYR 29 HE1 TYR 29 1.249 -0.380 -11.816
227 HE2 TYR 29 HE2 TYR 29 -0.530 3.525 -11.609
228 HH TYR 29 HH TYR 29 -1.398 1.584 -12.771
229 H GLU 30 H GLU 30 3.582 1.461 -5.254
230 HA GLU 30 HA GLU 30 4.185 -1.243 -6.047
231 HB2 GLU 30 HB2 GLU 30 5.523 0.626 -4.589
232 HB3 GLU 30 HB3 GLU 30 4.873 -0.395 -3.306
233 HG2 GLU 30 HG2 GLU 30 5.732 -2.349 -4.876
234 HG3 GLU 30 HG3 GLU 30 6.804 -1.091 -5.485
235 H CYS 31 H CYS 31 1.684 0.218 -4.294
236 HA CYS 31 HA CYS 31 1.180 -2.080 -2.571
237 HB2 CYS 31 HB2 CYS 31 0.780 0.260 -1.784
238 HB3 CYS 31 HB3 CYS 31 -0.504 0.399 -2.985
239 H CYS 32 H CYS 32 -0.347 -0.420 -5.320
240 HA CYS 32 HA CYS 32 -2.482 -2.338 -5.527
241 HB2 CYS 32 HB2 CYS 32 -2.022 0.211 -6.517
242 HB3 CYS 32 HB3 CYS 32 -1.920 -0.812 -7.950
243 H THR 33 H THR 33 0.728 -2.641 -6.145
244 HA THR 33 HA THR 33 0.732 -3.929 -8.694
245 HB THR 33 HB THR 33 2.800 -4.745 -6.757
246 HG1 THR 33 HG1 THR 33 2.096 -2.520 -6.205
247 HG21 THR 33 HG21 THR 33 4.253 -4.182 -8.605
248 HG22 THR 33 HG22 THR 33 2.958 -3.294 -9.412
249 HG23 THR 33 HG23 THR 33 2.861 -5.048 -9.256
250 H SER 34 H SER 34 2.103 -6.299 -8.246
251 HA SER 34 HA SER 34 0.260 -8.258 -8.186
252 HB2 SER 34 HB2 SER 34 2.292 -9.441 -6.723
253 HB3 SER 34 HB3 SER 34 2.206 -9.345 -8.480
254 HG SER 34 HG SER 34 3.441 -7.501 -8.420
255 H GLU 35 H GLU 35 -0.885 -9.471 -6.716
256 HA GLU 35 HA GLU 35 -1.797 -8.295 -4.374
257 HB2 GLU 35 HB2 GLU 35 -1.956 -10.967 -5.601
258 HB3 GLU 35 HB3 GLU 35 -2.155 -10.953 -3.848
259 HG2 GLU 35 HG2 GLU 35 -3.686 -9.176 -5.768
260 HG3 GLU 35 HG3 GLU 35 -4.316 -10.661 -5.061
261 H SER 36 H SER 36 0.761 -10.726 -4.790
262 HA SER 36 HA SER 36 1.398 -11.315 -2.188
263 HB2 SER 36 HB2 SER 36 3.783 -11.511 -3.014
264 HB3 SER 36 HB3 SER 36 2.589 -12.399 -3.956
265 HG SER 36 HG SER 36 3.939 -9.998 -4.551
266 H THR 37 H THR 37 2.666 -8.569 -4.078
267 HA THR 37 HA THR 37 4.125 -7.412 -1.941
268 HB THR 37 HB THR 37 2.951 -5.872 -4.254
269 HG1 THR 37 HG1 THR 37 4.304 -8.052 -4.487
270 HG21 THR 37 HG21 THR 37 5.655 -5.655 -2.919
271 HG22 THR 37 HG22 THR 37 4.244 -4.755 -2.362
272 HG23 THR 37 HG23 THR 37 4.876 -4.485 -3.985
273 H PHE 38 H PHE 38 0.796 -7.182 -2.993
274 HA PHE 38 HA PHE 38 0.035 -4.867 -1.568
275 HB2 PHE 38 HB2 PHE 38 -1.246 -6.285 -3.362
276 HB3 PHE 38 HB3 PHE 38 -1.840 -7.174 -1.960
277 HD1 PHE 38 HD1 PHE 38 -2.531 -5.522 0.089
278 HD2 PHE 38 HD2 PHE 38 -2.564 -4.514 -4.086
279 HE1 PHE 38 HE1 PHE 38 -4.177 -3.721 0.537
280 HE2 PHE 38 HE2 PHE 38 -4.208 -2.714 -3.639
281 HZ PHE 38 HZ PHE 38 -5.015 -2.316 -1.327
282 H LYS 39 H LYS 39 -0.351 -8.310 -0.721
283 HA LYS 39 HA LYS 39 -1.375 -7.918 1.860
284 HB2 LYS 39 HB2 LYS 39 -0.682 -10.103 0.248
285 HB3 LYS 39 HB3 LYS 39 0.302 -10.276 1.701
286 HG2 LYS 39 HG2 LYS 39 -1.772 -9.934 3.073
287 HG3 LYS 39 HG3 LYS 39 -2.709 -9.952 1.579
288 HD2 LYS 39 HD2 LYS 39 -0.942 -12.198 2.594
289 HD3 LYS 39 HD3 LYS 39 -2.706 -12.185 2.605
290 HE2 LYS 39 HE2 LYS 39 -2.304 -11.646 0.002
291 HE3 LYS 39 HE3 LYS 39 -0.826 -12.552 0.324
292 HZ1 LYS 39 HZ1 LYS 39 -2.130 -14.320 -0.026
293 HZ2 LYS 39 HZ2 LYS 39 -3.569 -13.459 0.247
294 HZ3 LYS 39 HZ3 LYS 39 -2.669 -14.053 1.559
295 H LYS 40 H LYS 40 1.784 -7.418 0.635
296 HA LYS 40 HA LYS 40 3.148 -7.796 3.163
297 HB2 LYS 40 HB2 LYS 40 3.978 -7.800 0.552
298 HB3 LYS 40 HB3 LYS 40 4.506 -6.206 1.095
299 HG2 LYS 40 HG2 LYS 40 5.464 -7.407 3.157
300 HG3 LYS 40 HG3 LYS 40 5.227 -8.902 2.254
301 HD2 LYS 40 HD2 LYS 40 6.500 -7.601 0.345
302 HD3 LYS 40 HD3 LYS 40 7.100 -6.629 1.689
303 HE2 LYS 40 HE2 LYS 40 7.824 -8.739 2.825
304 HE3 LYS 40 HE3 LYS 40 7.349 -9.634 1.382
305 HZ1 LYS 40 HZ1 LYS 40 9.452 -9.242 0.767
306 HZ2 LYS 40 HZ2 LYS 40 9.647 -7.935 1.834
307 HZ3 LYS 40 HZ3 LYS 40 8.877 -7.706 0.337
308 H CYS 41 H CYS 41 1.865 -5.109 1.272
309 HA CYS 41 HA CYS 41 3.012 -3.032 2.846
310 HB2 CYS 41 HB2 CYS 41 1.585 -3.144 0.491
311 HB3 CYS 41 HB3 CYS 41 0.435 -2.403 1.604
312 H GLN 42 H GLN 42 0.322 -5.146 3.292
313 HA GLN 42 HA GLN 42 -0.910 -3.440 5.326
314 HB2 GLN 42 HB2 GLN 42 -1.661 -5.975 3.926
315 HB3 GLN 42 HB3 GLN 42 -2.379 -5.631 5.501
316 HG2 GLN 42 HG2 GLN 42 -2.348 -3.360 3.604
317 HG3 GLN 42 HG3 GLN 42 -3.391 -4.706 3.150
318 HE21 GLN 42 HE21 GLN 42 -5.436 -4.699 4.100
319 HE22 GLN 42 HE22 GLN 42 -5.848 -3.839 5.503
320 H THR 43 H THR 43 1.204 -6.181 5.039
321 HA THR 43 HA THR 43 0.884 -7.109 7.743
322 HB THR 43 HB THR 43 3.107 -7.637 5.756
323 HG1 THR 43 HG1 THR 43 1.582 -9.708 6.012
324 HG21 THR 43 HG21 THR 43 2.251 -9.322 8.111
325 HG22 THR 43 HG22 THR 43 3.511 -8.096 8.244
326 HG23 THR 43 HG23 THR 43 3.722 -9.463 7.150
327 H MET 44 H MET 44 2.886 -4.770 6.101
328 HA MET 44 HA MET 44 4.797 -4.516 8.253
329 HB2 MET 44 HB2 MET 44 4.321 -3.208 5.622
330 HB3 MET 44 HB3 MET 44 5.206 -2.284 6.835
331 HG2 MET 44 HG2 MET 44 7.018 -3.676 6.765
332 HG3 MET 44 HG3 MET 44 6.030 -5.116 6.523
333 HE1 MET 44 HE1 MET 44 8.806 -4.445 3.796
334 HE2 MET 44 HE2 MET 44 7.980 -5.935 4.239
335 HE3 MET 44 HE3 MET 44 8.534 -4.835 5.499
336 H LEU 45 H LEU 45 2.082 -2.580 7.005
337 HA LEU 45 HA LEU 45 2.221 -0.407 8.713
338 HB2 LEU 45 HB2 LEU 45 -0.074 -1.815 7.384
339 HB3 LEU 45 HB3 LEU 45 -0.375 -0.466 8.480
340 HG LEU 45 HG LEU 45 1.481 -0.368 6.083
341 HD11 LEU 45 HD11 LEU 45 -1.353 0.606 6.516
342 HD12 LEU 45 HD12 LEU 45 -0.772 -0.494 5.268
343 HD13 LEU 45 HD13 LEU 45 -0.322 1.209 5.220
344 HD21 LEU 45 HD21 LEU 45 0.968 1.392 8.381
345 HD22 LEU 45 HD22 LEU 45 0.795 2.208 6.826
346 HD23 LEU 45 HD23 LEU 45 2.310 1.403 7.236
347 H HIS 46 H HIS 46 0.977 -3.641 9.331
348 HA HIS 46 HA HIS 46 0.201 -2.839 12.056
349 HB2 HIS 46 HB2 HIS 46 -0.518 -5.121 10.256
350 HB3 HIS 46 HB3 HIS 46 -0.642 -5.334 12.002
351 HD1 HIS 46 HD1 HIS 46 -1.902 -3.041 9.245
352 HD2 HIS 46 HD2 HIS 46 -2.873 -4.124 13.151
353 HE1 HIS 46 HE1 HIS 46 -4.130 -1.950 9.758
354 H GLN 47 H GLN 47 1.757 -5.684 10.548
355 HA GLN 47 HA GLN 47 3.233 -6.201 13.002
356 HB2 GLN 47 HB2 GLN 47 2.178 -7.943 11.363
357 HB3 GLN 47 HB3 GLN 47 3.658 -7.695 10.435
358 HG2 GLN 47 HG2 GLN 47 4.226 -9.470 11.867
359 HG3 GLN 47 HG3 GLN 47 4.878 -8.060 12.700
360 HE21 GLN 47 HE21 GLN 47 2.693 -10.716 12.999
361 HE22 GLN 47 HE22 GLN 47 1.994 -10.253 14.474
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 -6.751 3.256 -16.574
2 H2 ALA 1 H2 ALA 1 -6.163 3.282 -14.981
3 H3 ALA 1 H3 ALA 1 -6.508 4.737 -15.786
4 HA ALA 1 HA ALA 1 -8.346 4.509 -14.443
5 HB1 ALA 1 HB1 ALA 1 -9.109 2.981 -16.947
6 HB2 ALA 1 HB2 ALA 1 -8.922 4.733 -16.878
7 HB3 ALA 1 HB3 ALA 1 -10.179 3.944 -15.927
8 H ASP 2 H ASP 2 -9.271 3.309 -12.882
9 HA ASP 2 HA ASP 2 -9.563 1.512 -11.469
10 HB2 ASP 2 HB2 ASP 2 -10.086 -0.214 -13.852
11 HB3 ASP 2 HB3 ASP 2 -10.974 -0.100 -12.334
12 H ASP 3 H ASP 3 -6.871 1.912 -12.137
13 HA ASP 3 HA ASP 3 -5.607 -0.497 -13.004
14 HB2 ASP 3 HB2 ASP 3 -4.006 1.188 -11.232
15 HB3 ASP 3 HB3 ASP 3 -3.725 0.739 -12.912
16 H LYS 4 H LYS 4 -7.452 -1.347 -11.226
17 HA LYS 4 HA LYS 4 -7.641 -2.828 -9.476
18 HB2 LYS 4 HB2 LYS 4 -5.130 -3.261 -10.261
19 HB3 LYS 4 HB3 LYS 4 -4.781 -2.539 -8.692
20 HG2 LYS 4 HG2 LYS 4 -6.278 -4.171 -7.601
21 HG3 LYS 4 HG3 LYS 4 -6.626 -4.898 -9.170
22 HD2 LYS 4 HD2 LYS 4 -4.183 -5.371 -9.440
23 HD3 LYS 4 HD3 LYS 4 -3.923 -4.767 -7.806
24 HE2 LYS 4 HE2 LYS 4 -4.952 -6.582 -6.817
25 HE3 LYS 4 HE3 LYS 4 -6.009 -6.868 -8.199
26 HZ1 LYS 4 HZ1 LYS 4 -3.139 -7.195 -8.616
27 HZ2 LYS 4 HZ2 LYS 4 -4.440 -8.065 -9.277
28 HZ3 LYS 4 HZ3 LYS 4 -3.922 -8.381 -7.689
29 H CYS 5 H CYS 5 -6.867 0.352 -9.293
30 HA CYS 5 HA CYS 5 -7.024 0.414 -6.339
31 HB2 CYS 5 HB2 CYS 5 -6.328 2.904 -7.761
32 HB3 CYS 5 HB3 CYS 5 -5.621 2.196 -6.308
33 H GLU 6 H GLU 6 -7.955 2.477 -9.108
34 HA GLU 6 HA GLU 6 -10.062 3.779 -7.739
35 HB2 GLU 6 HB2 GLU 6 -8.782 4.187 -10.103
36 HB3 GLU 6 HB3 GLU 6 -10.314 3.521 -10.670
37 HG2 GLU 6 HG2 GLU 6 -11.572 5.213 -9.518
38 HG3 GLU 6 HG3 GLU 6 -10.140 5.774 -8.655
39 H ASP 7 H ASP 7 -9.830 0.651 -9.066
40 HA ASP 7 HA ASP 7 -12.526 0.236 -9.854
41 HB2 ASP 7 HB2 ASP 7 -10.459 -1.212 -10.358
42 HB3 ASP 7 HB3 ASP 7 -10.720 -1.912 -8.762
43 H SER 8 H SER 8 -10.890 0.200 -6.770
44 HA SER 8 HA SER 8 -13.465 -0.062 -5.421
45 HB2 SER 8 HB2 SER 8 -12.742 -1.876 -3.979
46 HB3 SER 8 HB3 SER 8 -12.614 -2.389 -5.659
47 HG SER 8 HG SER 8 -10.343 -1.441 -5.344
48 H LEU 9 H LEU 9 -13.503 1.629 -4.094
49 HA LEU 9 HA LEU 9 -11.256 3.119 -3.297
50 HB2 LEU 9 HB2 LEU 9 -13.994 3.441 -3.134
51 HB3 LEU 9 HB3 LEU 9 -13.516 3.270 -1.444
52 HG LEU 9 HG LEU 9 -11.645 4.964 -2.002
53 HD11 LEU 9 HD11 LEU 9 -11.658 5.098 -4.347
54 HD12 LEU 9 HD12 LEU 9 -12.544 6.547 -3.873
55 HD13 LEU 9 HD13 LEU 9 -13.419 5.122 -4.430
56 HD21 LEU 9 HD21 LEU 9 -13.170 5.966 -0.626
57 HD22 LEU 9 HD22 LEU 9 -14.546 5.401 -1.574
58 HD23 LEU 9 HD23 LEU 9 -13.637 6.819 -2.098
59 H ARG 10 H ARG 10 -12.229 0.083 -2.282
60 HA ARG 10 HA ARG 10 -11.552 0.237 0.495
61 HB2 ARG 10 HB2 ARG 10 -12.062 -1.969 -1.465
62 HB3 ARG 10 HB3 ARG 10 -11.293 -2.354 0.075
63 HG2 ARG 10 HG2 ARG 10 -13.671 -2.587 0.388
64 HG3 ARG 10 HG3 ARG 10 -13.174 -1.115 1.223
65 HD2 ARG 10 HD2 ARG 10 -14.321 0.235 -0.205
66 HD3 ARG 10 HD3 ARG 10 -13.905 -0.737 -1.612
67 HE ARG 10 HE ARG 10 -16.287 -0.978 -0.002
68 HH11 ARG 10 HH21 ARG 10 -14.028 -2.601 -2.061
69 HH12 ARG 10 HH22 ARG 10 -15.155 -3.811 -2.574
70 HH21 ARG 10 HH11 ARG 10 -17.770 -2.563 -0.672
71 HH22 ARG 10 HH12 ARG 10 -17.274 -3.790 -1.788
72 H ARG 11 H ARG 11 -9.773 -0.139 -2.452
73 HA ARG 11 HA ARG 11 -7.343 -0.945 -1.008
74 HB2 ARG 11 HB2 ARG 11 -8.139 -0.897 -3.910
75 HB3 ARG 11 HB3 ARG 11 -6.442 -0.999 -3.441
76 HG2 ARG 11 HG2 ARG 11 -6.810 -3.040 -2.231
77 HG3 ARG 11 HG3 ARG 11 -8.561 -2.878 -2.373
78 HD2 ARG 11 HD2 ARG 11 -7.087 -2.855 -4.937
79 HD3 ARG 11 HD3 ARG 11 -7.035 -4.382 -4.060
80 HE ARG 11 HE ARG 11 -9.299 -3.295 -5.423
81 HH11 ARG 11 HH21 ARG 11 -8.299 -5.073 -2.628
82 HH12 ARG 11 HH22 ARG 11 -9.793 -5.936 -2.471
83 HH21 ARG 11 HH11 ARG 11 -11.260 -4.422 -5.225
84 HH22 ARG 11 HH12 ARG 11 -11.469 -5.567 -3.943
85 H GLU 12 H GLU 12 -8.785 1.704 -2.783
86 HA GLU 12 HA GLU 12 -6.450 3.269 -3.145
87 HB2 GLU 12 HB2 GLU 12 -8.818 3.525 -4.194
88 HB3 GLU 12 HB3 GLU 12 -9.177 4.465 -2.745
89 HG2 GLU 12 HG2 GLU 12 -8.367 6.172 -4.049
90 HG3 GLU 12 HG3 GLU 12 -6.833 5.601 -3.393
91 H ILE 13 H ILE 13 -8.590 2.767 -0.436
92 HA ILE 13 HA ILE 13 -7.533 5.039 1.047
93 HB ILE 13 HB ILE 13 -9.490 2.848 1.769
94 HG12 ILE 13 HG12 ILE 13 -9.885 5.836 1.428
95 HG13 ILE 13 HG13 ILE 13 -10.200 4.657 0.152
96 HG21 ILE 13 HG21 ILE 13 -8.856 3.327 3.901
97 HG22 ILE 13 HG22 ILE 13 -9.777 4.812 3.659
98 HG23 ILE 13 HG23 ILE 13 -8.030 4.809 3.422
99 HD11 ILE 13 HD11 ILE 13 -11.436 4.275 2.864
100 HD12 ILE 13 HD12 ILE 13 -12.000 3.703 1.295
101 HD13 ILE 13 HD13 ILE 13 -12.166 5.405 1.724
102 H ALA 14 H ALA 14 -7.089 1.577 0.821
103 HA ALA 14 HA ALA 14 -5.470 1.460 3.236
104 HB1 ALA 14 HB1 ALA 14 -5.153 -0.943 2.502
105 HB2 ALA 14 HB2 ALA 14 -6.245 -0.592 1.162
106 HB3 ALA 14 HB3 ALA 14 -6.819 -0.465 2.825
107 H CYS 15 H CYS 15 -5.014 1.938 -0.154
108 HA CYS 15 HA CYS 15 -2.199 1.177 -0.070
109 HB2 CYS 15 HB2 CYS 15 -3.997 2.235 -2.253
110 HB3 CYS 15 HB3 CYS 15 -2.261 2.018 -2.473
111 H THR 16 H THR 16 -3.951 3.805 0.886
112 HA THR 16 HA THR 16 -2.059 5.844 0.009
113 HB THR 16 HB THR 16 -4.258 6.267 2.017
114 HG1 THR 16 HG1 THR 16 -5.702 6.384 0.389
115 HG21 THR 16 HG21 THR 16 -2.798 7.926 -0.040
116 HG22 THR 16 HG22 THR 16 -2.906 8.191 1.701
117 HG23 THR 16 HG23 THR 16 -4.316 8.463 0.678
118 H LYS 17 H LYS 17 -3.253 4.567 3.115
119 HA LYS 17 HA LYS 17 -1.535 5.892 4.835
120 HB2 LYS 17 HB2 LYS 17 -1.807 3.848 6.312
121 HB3 LYS 17 HB3 LYS 17 -3.312 4.568 5.741
122 HG2 LYS 17 HG2 LYS 17 -3.522 2.900 3.997
123 HG3 LYS 17 HG3 LYS 17 -1.930 2.243 4.377
124 HD2 LYS 17 HD2 LYS 17 -3.715 0.854 5.366
125 HD3 LYS 17 HD3 LYS 17 -2.729 1.604 6.623
126 HE2 LYS 17 HE2 LYS 17 -5.141 3.089 5.671
127 HE3 LYS 17 HE3 LYS 17 -5.391 1.694 6.722
128 HZ1 LYS 17 HZ1 LYS 17 -4.495 4.279 7.403
129 HZ2 LYS 17 HZ2 LYS 17 -3.289 3.150 7.796
130 HZ3 LYS 17 HZ3 LYS 17 -4.856 2.976 8.426
131 H CYS 18 H CYS 18 -0.963 3.062 2.837
132 HA CYS 18 HA CYS 18 1.513 2.274 3.956
133 HB2 CYS 18 HB2 CYS 18 -0.151 1.506 1.754
134 HB3 CYS 18 HB3 CYS 18 1.510 1.667 1.183
135 H ARG 19 H ARG 19 0.838 4.145 0.981
136 HA ARG 19 HA ARG 19 3.569 4.835 0.552
137 HB2 ARG 19 HB2 ARG 19 2.207 4.903 -1.365
138 HB3 ARG 19 HB3 ARG 19 0.964 5.856 -0.559
139 HG2 ARG 19 HG2 ARG 19 3.657 7.089 -0.640
140 HG3 ARG 19 HG3 ARG 19 2.851 6.930 -2.200
141 HD2 ARG 19 HD2 ARG 19 1.188 7.947 0.045
142 HD3 ARG 19 HD3 ARG 19 2.443 9.028 -0.550
143 HE ARG 19 HE ARG 19 0.897 7.892 -2.688
144 HH11 ARG 19 HH21 ARG 19 0.978 10.308 -0.211
145 HH12 ARG 19 HH22 ARG 19 -0.078 11.397 -1.046
146 HH21 ARG 19 HH11 ARG 19 -0.488 9.318 -3.790
147 HH22 ARG 19 HH12 ARG 19 -0.908 10.837 -3.072
148 H ASP 20 H ASP 20 0.833 6.514 2.051
149 HA ASP 20 HA ASP 20 1.933 9.026 2.438
150 HB2 ASP 20 HB2 ASP 20 -0.006 7.374 4.023
151 HB3 ASP 20 HB3 ASP 20 0.543 8.926 4.653
152 H ARG 21 H ARG 21 2.716 6.014 3.975
153 HA ARG 21 HA ARG 21 4.089 7.126 6.234
154 HB2 ARG 21 HB2 ARG 21 3.142 4.737 5.944
155 HB3 ARG 21 HB3 ARG 21 4.631 4.406 5.060
156 HG2 ARG 21 HG2 ARG 21 5.581 4.005 7.070
157 HG3 ARG 21 HG3 ARG 21 5.509 5.748 7.333
158 HD2 ARG 21 HD2 ARG 21 3.419 5.581 8.483
159 HD3 ARG 21 HD3 ARG 21 3.195 3.910 7.975
160 HE ARG 21 HE ARG 21 4.700 4.805 10.238
161 HH11 ARG 21 HH21 ARG 21 4.543 2.447 7.710
162 HH12 ARG 21 HH22 ARG 21 5.406 1.235 8.597
163 HH21 ARG 21 HH11 ARG 21 5.837 3.222 11.406
164 HH22 ARG 21 HH12 ARG 21 6.139 1.674 10.690
165 H VAL 22 H VAL 22 5.278 5.442 3.318
166 HA VAL 22 HA VAL 22 7.974 6.369 3.742
167 HB VAL 22 HB VAL 22 6.910 5.149 1.201
168 HG11 VAL 22 HG11 VAL 22 9.208 4.164 1.195
169 HG12 VAL 22 HG12 VAL 22 9.567 5.074 2.663
170 HG13 VAL 22 HG13 VAL 22 9.223 5.928 1.159
171 HG21 VAL 22 HG21 VAL 22 7.170 3.971 3.917
172 HG22 VAL 22 HG22 VAL 22 7.833 3.014 2.592
173 HG23 VAL 22 HG23 VAL 22 6.132 3.486 2.576
174 H ARG 23 H ARG 23 5.228 7.821 2.563
175 HA ARG 23 HA ARG 23 4.800 9.627 1.194
176 HB2 ARG 23 HB2 ARG 23 7.549 10.652 1.756
177 HB3 ARG 23 HB3 ARG 23 6.002 11.498 1.800
178 HG2 ARG 23 HG2 ARG 23 5.390 10.200 3.840
179 HG3 ARG 23 HG3 ARG 23 6.995 9.469 3.822
180 HD2 ARG 23 HD2 ARG 23 8.012 11.367 4.576
181 HD3 ARG 23 HD3 ARG 23 6.948 12.424 3.652
182 HE ARG 23 HE ARG 23 6.507 11.453 6.362
183 HH11 ARG 23 HH21 ARG 23 5.218 12.892 3.491
184 HH12 ARG 23 HH22 ARG 23 3.850 13.593 4.290
185 HH21 ARG 23 HH11 ARG 23 4.715 12.370 7.417
186 HH22 ARG 23 HH12 ARG 23 3.566 13.297 6.512
187 H THR 24 H THR 24 5.849 7.366 -0.199
188 HA THR 24 HA THR 24 7.300 8.751 -2.373
189 HB THR 24 HB THR 24 7.620 5.812 -1.793
190 HG1 THR 24 HG1 THR 24 9.287 7.919 -0.893
191 HG21 THR 24 HG21 THR 24 8.268 6.925 -4.010
192 HG22 THR 24 HG22 THR 24 9.530 6.002 -3.195
193 HG23 THR 24 HG23 THR 24 9.522 7.762 -3.097
194 H ASP 25 H ASP 25 5.830 9.040 -3.931
195 HA ASP 25 HA ASP 25 3.445 7.752 -4.349
196 HB2 ASP 25 HB2 ASP 25 3.529 8.546 -6.637
197 HB3 ASP 25 HB3 ASP 25 4.233 9.770 -5.581
198 H ASP 26 H ASP 26 6.638 6.562 -4.965
199 HA ASP 26 HA ASP 26 5.980 4.549 -6.863
200 HB2 ASP 26 HB2 ASP 26 8.298 5.446 -6.298
201 HB3 ASP 26 HB3 ASP 26 8.240 4.416 -4.869
202 H TYR 27 H TYR 27 5.738 4.761 -3.392
203 HA TYR 27 HA TYR 27 5.548 1.965 -2.869
204 HB2 TYR 27 HB2 TYR 27 5.303 4.445 -1.366
205 HB3 TYR 27 HB3 TYR 27 4.098 3.257 -0.873
206 HD1 TYR 27 HD2 TYR 27 7.753 3.589 -1.614
207 HD2 TYR 27 HD1 TYR 27 4.697 1.509 0.573
208 HE1 TYR 27 HE2 TYR 27 9.495 2.329 -0.378
209 HE2 TYR 27 HE1 TYR 27 6.439 0.249 1.810
210 HH TYR 27 HH TYR 27 9.209 -0.315 1.015
211 H PHE 28 H PHE 28 3.066 4.523 -3.114
212 HA PHE 28 HA PHE 28 0.772 3.110 -2.721
213 HB2 PHE 28 HB2 PHE 28 1.164 5.589 -3.492
214 HB3 PHE 28 HB3 PHE 28 0.903 4.924 -5.104
215 HD1 PHE 28 HD1 PHE 28 -1.176 3.285 -5.308
216 HD2 PHE 28 HD2 PHE 28 -0.692 6.270 -2.258
217 HE1 PHE 28 HE1 PHE 28 -3.623 3.274 -4.908
218 HE2 PHE 28 HE2 PHE 28 -3.138 6.259 -1.859
219 HZ PHE 28 HZ PHE 28 -4.604 4.761 -3.184
220 H TYR 29 H TYR 29 2.429 3.432 -5.863
221 HA TYR 29 HA TYR 29 0.788 1.699 -7.323
222 HB2 TYR 29 HB2 TYR 29 2.886 3.234 -7.984
223 HB3 TYR 29 HB3 TYR 29 3.704 1.673 -7.914
224 HD1 TYR 29 HD2 TYR 29 2.679 -0.290 -9.214
225 HD2 TYR 29 HD1 TYR 29 1.538 3.803 -9.837
226 HE1 TYR 29 HE2 TYR 29 1.720 -0.893 -11.420
227 HE2 TYR 29 HE1 TYR 29 0.578 3.201 -12.041
228 HH TYR 29 HH TYR 29 -0.384 0.611 -12.979
229 H GLU 30 H GLU 30 3.382 1.072 -5.073
230 HA GLU 30 HA GLU 30 3.786 -1.673 -5.746
231 HB2 GLU 30 HB2 GLU 30 5.163 0.078 -4.228
232 HB3 GLU 30 HB3 GLU 30 4.277 -0.770 -2.960
233 HG2 GLU 30 HG2 GLU 30 6.222 -2.067 -3.200
234 HG3 GLU 30 HG3 GLU 30 5.044 -2.932 -4.186
235 H CYS 31 H CYS 31 1.442 0.056 -3.879
236 HA CYS 31 HA CYS 31 0.542 -2.261 -2.388
237 HB2 CYS 31 HB2 CYS 31 0.353 -0.062 -1.361
238 HB3 CYS 31 HB3 CYS 31 -0.638 0.509 -2.705
239 H CYS 32 H CYS 32 -0.655 -0.274 -5.085
240 HA CYS 32 HA CYS 32 -3.029 -1.814 -5.477
241 HB2 CYS 32 HB2 CYS 32 -2.382 0.618 -6.272
242 HB3 CYS 32 HB3 CYS 32 -1.799 -0.238 -7.698
243 H THR 33 H THR 33 0.198 -2.485 -6.099
244 HA THR 33 HA THR 33 0.164 -3.769 -8.585
245 HB THR 33 HB THR 33 1.740 -4.899 -6.293
246 HG1 THR 33 HG1 THR 33 3.196 -3.036 -7.147
247 HG21 THR 33 HG21 THR 33 3.050 -5.712 -7.950
248 HG22 THR 33 HG22 THR 33 3.042 -4.177 -8.819
249 HG23 THR 33 HG23 THR 33 1.711 -5.316 -9.026
250 H SER 34 H SER 34 1.101 -6.427 -7.561
251 HA SER 34 HA SER 34 -1.406 -7.797 -7.805
252 HB2 SER 34 HB2 SER 34 0.293 -9.748 -7.046
253 HB3 SER 34 HB3 SER 34 0.208 -9.134 -8.695
254 HG SER 34 HG SER 34 1.771 -7.556 -7.175
255 H GLU 35 H GLU 35 -1.936 -9.610 -6.217
256 HA GLU 35 HA GLU 35 -2.568 -8.481 -3.705
257 HB2 GLU 35 HB2 GLU 35 -4.045 -10.157 -4.275
258 HB3 GLU 35 HB3 GLU 35 -2.780 -11.195 -4.934
259 HG2 GLU 35 HG2 GLU 35 -2.066 -11.884 -2.782
260 HG3 GLU 35 HG3 GLU 35 -2.923 -10.564 -1.985
261 H SER 36 H SER 36 -0.176 -10.962 -4.620
262 HA SER 36 HA SER 36 0.895 -11.616 -2.190
263 HB2 SER 36 HB2 SER 36 2.055 -12.771 -3.756
264 HB3 SER 36 HB3 SER 36 1.916 -11.481 -4.947
265 HG SER 36 HG SER 36 3.586 -10.394 -3.882
266 H THR 37 H THR 37 1.561 -8.703 -4.093
267 HA THR 37 HA THR 37 3.509 -7.697 -2.221
268 HB THR 37 HB THR 37 2.843 -5.525 -3.685
269 HG1 THR 37 HG1 THR 37 1.543 -7.621 -4.765
270 HG21 THR 37 HG21 THR 37 5.073 -6.333 -3.665
271 HG22 THR 37 HG22 THR 37 4.574 -6.435 -5.354
272 HG23 THR 37 HG23 THR 37 4.600 -7.887 -4.352
273 H PHE 38 H PHE 38 0.061 -7.389 -2.716
274 HA PHE 38 HA PHE 38 -0.481 -5.050 -1.302
275 HB2 PHE 38 HB2 PHE 38 -2.073 -6.645 -2.605
276 HB3 PHE 38 HB3 PHE 38 -2.254 -7.461 -1.051
277 HD1 PHE 38 HD1 PHE 38 -3.257 -6.307 0.876
278 HD2 PHE 38 HD2 PHE 38 -2.906 -4.389 -2.951
279 HE1 PHE 38 HE1 PHE 38 -4.850 -4.553 1.608
280 HE2 PHE 38 HE2 PHE 38 -4.497 -2.634 -2.220
281 HZ PHE 38 HZ PHE 38 -5.471 -2.716 0.060
282 H LYS 39 H LYS 39 -0.043 -8.364 -0.110
283 HA LYS 39 HA LYS 39 -0.586 -7.711 2.622
284 HB2 LYS 39 HB2 LYS 39 0.760 -10.073 1.303
285 HB3 LYS 39 HB3 LYS 39 0.508 -9.958 3.045
286 HG2 LYS 39 HG2 LYS 39 -1.907 -9.320 1.527
287 HG3 LYS 39 HG3 LYS 39 -1.324 -10.954 1.210
288 HD2 LYS 39 HD2 LYS 39 -1.219 -11.371 3.656
289 HD3 LYS 39 HD3 LYS 39 -1.871 -9.758 3.943
290 HE2 LYS 39 HE2 LYS 39 -3.824 -10.468 2.421
291 HE3 LYS 39 HE3 LYS 39 -3.229 -12.114 2.632
292 HZ1 LYS 39 HZ1 LYS 39 -4.812 -11.784 4.311
293 HZ2 LYS 39 HZ2 LYS 39 -4.208 -10.247 4.710
294 HZ3 LYS 39 HZ3 LYS 39 -3.312 -11.640 5.090
295 H LYS 40 H LYS 40 2.336 -7.951 0.649
296 HA LYS 40 HA LYS 40 4.307 -7.860 2.587
297 HB2 LYS 40 HB2 LYS 40 4.256 -7.664 -0.154
298 HB3 LYS 40 HB3 LYS 40 4.826 -6.064 0.324
299 HG2 LYS 40 HG2 LYS 40 6.005 -8.663 1.347
300 HG3 LYS 40 HG3 LYS 40 6.681 -7.726 0.015
301 HD2 LYS 40 HD2 LYS 40 7.201 -5.888 1.422
302 HD3 LYS 40 HD3 LYS 40 6.159 -6.481 2.716
303 HE2 LYS 40 HE2 LYS 40 8.358 -8.287 1.840
304 HE3 LYS 40 HE3 LYS 40 8.828 -6.842 2.735
305 HZ1 LYS 40 HZ1 LYS 40 7.748 -7.526 4.599
306 HZ2 LYS 40 HZ2 LYS 40 8.153 -9.046 3.958
307 HZ3 LYS 40 HZ3 LYS 40 6.585 -8.423 3.752
308 H CYS 41 H CYS 41 2.671 -5.088 1.045
309 HA CYS 41 HA CYS 41 3.929 -3.023 2.404
310 HB2 CYS 41 HB2 CYS 41 1.974 -3.103 0.564
311 HB3 CYS 41 HB3 CYS 41 0.996 -2.765 1.993
312 H GLN 42 H GLN 42 1.018 -4.838 3.360
313 HA GLN 42 HA GLN 42 0.492 -3.494 5.759
314 HB2 GLN 42 HB2 GLN 42 -0.030 -6.331 4.872
315 HB3 GLN 42 HB3 GLN 42 -0.564 -5.722 6.439
316 HG2 GLN 42 HG2 GLN 42 -1.952 -4.063 5.434
317 HG3 GLN 42 HG3 GLN 42 -1.217 -4.305 3.850
318 HE21 GLN 42 HE21 GLN 42 -3.597 -4.671 3.210
319 HE22 GLN 42 HE22 GLN 42 -4.224 -6.238 3.398
320 H THR 43 H THR 43 2.730 -6.101 5.000
321 HA THR 43 HA THR 43 3.436 -6.863 7.610
322 HB THR 43 HB THR 43 5.398 -6.785 5.325
323 HG1 THR 43 HG1 THR 43 2.996 -7.736 5.154
324 HG21 THR 43 HG21 THR 43 6.527 -8.328 6.539
325 HG22 THR 43 HG22 THR 43 5.053 -9.186 6.986
326 HG23 THR 43 HG23 THR 43 5.553 -7.756 7.892
327 H MET 44 H MET 44 4.406 -4.143 5.631
328 HA MET 44 HA MET 44 6.603 -3.376 7.342
329 HB2 MET 44 HB2 MET 44 6.316 -2.885 4.821
330 HB3 MET 44 HB3 MET 44 5.252 -1.578 5.343
331 HG2 MET 44 HG2 MET 44 7.218 -0.949 6.943
332 HG3 MET 44 HG3 MET 44 8.197 -1.928 5.851
333 HE1 MET 44 HE1 MET 44 9.518 -0.527 3.877
334 HE2 MET 44 HE2 MET 44 9.608 -0.125 5.590
335 HE3 MET 44 HE3 MET 44 9.449 1.162 4.398
336 H LEU 45 H LEU 45 3.197 -2.629 7.047
337 HA LEU 45 HA LEU 45 3.257 -0.285 8.699
338 HB2 LEU 45 HB2 LEU 45 1.067 -2.094 7.697
339 HB3 LEU 45 HB3 LEU 45 0.734 -0.788 8.835
340 HG LEU 45 HG LEU 45 2.323 -0.226 6.347
341 HD11 LEU 45 HD11 LEU 45 -0.615 -0.772 6.575
342 HD12 LEU 45 HD12 LEU 45 0.489 -1.129 5.248
343 HD13 LEU 45 HD13 LEU 45 -0.080 0.521 5.500
344 HD21 LEU 45 HD21 LEU 45 0.264 1.587 7.521
345 HD22 LEU 45 HD22 LEU 45 1.842 1.975 6.835
346 HD23 LEU 45 HD23 LEU 45 1.728 1.315 8.466
347 H HIS 46 H HIS 46 3.184 -3.690 9.268
348 HA HIS 46 HA HIS 46 2.513 -3.255 12.111
349 HB2 HIS 46 HB2 HIS 46 1.118 -4.894 10.861
350 HB3 HIS 46 HB3 HIS 46 2.569 -5.844 10.543
351 HD1 HIS 46 HD1 HIS 46 3.755 -6.942 12.635
352 HD2 HIS 46 HD2 HIS 46 0.076 -5.165 13.461
353 HE1 HIS 46 HE1 HIS 46 3.048 -7.787 14.915
354 H GLN 47 H GLN 47 4.808 -4.886 9.946
355 HA GLN 47 HA GLN 47 6.831 -5.932 10.444
356 HB2 GLN 47 HB2 GLN 47 7.134 -3.350 10.218
357 HB3 GLN 47 HB3 GLN 47 7.431 -3.409 11.956
358 HG2 GLN 47 HG2 GLN 47 8.938 -5.526 10.937
359 HG3 GLN 47 HG3 GLN 47 9.162 -4.231 9.761
360 HE21 GLN 47 HE21 GLN 47 8.606 -3.814 13.273
361 HE22 GLN 47 HE22 GLN 47 10.108 -3.085 13.580
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 -9.292 0.737 -14.832
2 H2 ALA 1 H2 ALA 1 -8.511 2.243 -14.727
3 H3 ALA 1 H3 ALA 1 -9.941 2.086 -15.631
4 HA ALA 1 HA ALA 1 -9.646 2.716 -12.908
5 HB1 ALA 1 HB1 ALA 1 -11.273 3.914 -14.056
6 HB2 ALA 1 HB2 ALA 1 -12.272 2.703 -13.253
7 HB3 ALA 1 HB3 ALA 1 -11.832 2.500 -14.948
8 H ASP 2 H ASP 2 -11.331 1.854 -11.294
9 HA ASP 2 HA ASP 2 -11.541 0.040 -9.824
10 HB2 ASP 2 HB2 ASP 2 -13.260 -1.567 -10.851
11 HB3 ASP 2 HB3 ASP 2 -13.716 0.132 -10.735
12 H ASP 3 H ASP 3 -9.091 -0.200 -11.239
13 HA ASP 3 HA ASP 3 -8.819 -2.806 -12.388
14 HB2 ASP 3 HB2 ASP 3 -7.278 -0.589 -12.430
15 HB3 ASP 3 HB3 ASP 3 -6.442 -1.512 -11.184
16 H LYS 4 H LYS 4 -8.412 -1.455 -9.161
17 HA LYS 4 HA LYS 4 -8.712 -4.005 -7.920
18 HB2 LYS 4 HB2 LYS 4 -6.062 -3.309 -8.703
19 HB3 LYS 4 HB3 LYS 4 -6.151 -3.192 -6.945
20 HG2 LYS 4 HG2 LYS 4 -7.287 -5.472 -6.974
21 HG3 LYS 4 HG3 LYS 4 -6.830 -5.581 -8.674
22 HD2 LYS 4 HD2 LYS 4 -4.707 -6.120 -8.143
23 HD3 LYS 4 HD3 LYS 4 -4.574 -4.741 -7.050
24 HE2 LYS 4 HE2 LYS 4 -5.762 -6.039 -5.299
25 HE3 LYS 4 HE3 LYS 4 -5.820 -7.426 -6.388
26 HZ1 LYS 4 HZ1 LYS 4 -3.914 -7.263 -4.699
27 HZ2 LYS 4 HZ2 LYS 4 -3.254 -6.117 -5.766
28 HZ3 LYS 4 HZ3 LYS 4 -3.544 -7.706 -6.293
29 H CYS 5 H CYS 5 -7.536 -0.680 -7.627
30 HA CYS 5 HA CYS 5 -8.434 -0.588 -4.831
31 HB2 CYS 5 HB2 CYS 5 -7.022 1.569 -6.414
32 HB3 CYS 5 HB3 CYS 5 -7.214 1.477 -4.663
33 H GLU 6 H GLU 6 -8.925 1.038 -7.947
34 HA GLU 6 HA GLU 6 -10.831 2.921 -7.107
35 HB2 GLU 6 HB2 GLU 6 -10.052 1.693 -9.704
36 HB3 GLU 6 HB3 GLU 6 -11.611 2.515 -9.634
37 HG2 GLU 6 HG2 GLU 6 -10.575 4.560 -8.870
38 HG3 GLU 6 HG3 GLU 6 -9.017 3.758 -8.686
39 H ASP 7 H ASP 7 -11.042 -0.479 -7.430
40 HA ASP 7 HA ASP 7 -13.891 -0.603 -7.874
41 HB2 ASP 7 HB2 ASP 7 -12.521 -2.436 -8.654
42 HB3 ASP 7 HB3 ASP 7 -11.874 -2.695 -7.034
43 H SER 8 H SER 8 -11.714 -0.653 -5.119
44 HA SER 8 HA SER 8 -14.075 -0.591 -3.342
45 HB2 SER 8 HB2 SER 8 -12.107 -1.678 -1.768
46 HB3 SER 8 HB3 SER 8 -13.380 -2.595 -2.571
47 HG SER 8 HG SER 8 -11.913 -3.419 -3.818
48 H LEU 9 H LEU 9 -14.150 1.429 -2.576
49 HA LEU 9 HA LEU 9 -12.026 3.247 -2.476
50 HB2 LEU 9 HB2 LEU 9 -13.461 4.608 -1.056
51 HB3 LEU 9 HB3 LEU 9 -14.420 3.880 -2.344
52 HG LEU 9 HG LEU 9 -14.547 1.964 -0.365
53 HD11 LEU 9 HD11 LEU 9 -13.495 3.397 1.289
54 HD12 LEU 9 HD12 LEU 9 -15.211 3.268 1.676
55 HD13 LEU 9 HD13 LEU 9 -14.590 4.722 0.894
56 HD21 LEU 9 HD21 LEU 9 -16.424 2.738 -1.727
57 HD22 LEU 9 HD22 LEU 9 -16.404 4.302 -0.911
58 HD23 LEU 9 HD23 LEU 9 -16.859 2.848 -0.021
59 H ARG 10 H ARG 10 -13.144 0.884 -0.116
60 HA ARG 10 HA ARG 10 -11.601 1.825 2.078
61 HB2 ARG 10 HB2 ARG 10 -13.546 -0.020 1.850
62 HB3 ARG 10 HB3 ARG 10 -12.140 -1.087 1.844
63 HG2 ARG 10 HG2 ARG 10 -11.333 -0.033 3.927
64 HG3 ARG 10 HG3 ARG 10 -12.745 1.025 3.937
65 HD2 ARG 10 HD2 ARG 10 -12.532 -1.617 4.981
66 HD3 ARG 10 HD3 ARG 10 -13.946 -0.568 4.964
67 HE ARG 10 HE ARG 10 -13.791 -1.665 2.423
68 HH11 ARG 10 HH21 ARG 10 -14.036 -2.777 5.691
69 HH12 ARG 10 HH22 ARG 10 -14.934 -4.202 5.283
70 HH21 ARG 10 HH11 ARG 10 -14.969 -3.528 1.881
71 HH22 ARG 10 HH12 ARG 10 -15.464 -4.626 3.126
72 H ARG 11 H ARG 11 -10.971 -0.382 -0.586
73 HA ARG 11 HA ARG 11 -8.482 -1.371 0.384
74 HB2 ARG 11 HB2 ARG 11 -9.853 -1.324 -2.287
75 HB3 ARG 11 HB3 ARG 11 -8.178 -1.857 -2.159
76 HG2 ARG 11 HG2 ARG 11 -10.365 -2.973 -0.396
77 HG3 ARG 11 HG3 ARG 11 -9.954 -3.688 -1.956
78 HD2 ARG 11 HD2 ARG 11 -8.268 -4.800 -0.973
79 HD3 ARG 11 HD3 ARG 11 -7.507 -3.261 -0.583
80 HE ARG 11 HE ARG 11 -8.085 -3.680 1.610
81 HH11 ARG 11 HH21 ARG 11 -10.333 -5.205 -0.534
82 HH12 ARG 11 HH22 ARG 11 -11.274 -5.913 0.736
83 HH21 ARG 11 HH11 ARG 11 -9.317 -4.602 3.280
84 HH22 ARG 11 HH12 ARG 11 -10.698 -5.572 2.896
85 H GLU 12 H GLU 12 -9.473 1.519 -1.258
86 HA GLU 12 HA GLU 12 -6.920 2.261 -2.307
87 HB2 GLU 12 HB2 GLU 12 -9.385 3.157 -2.789
88 HB3 GLU 12 HB3 GLU 12 -8.925 4.338 -1.562
89 HG2 GLU 12 HG2 GLU 12 -6.711 4.513 -2.973
90 HG3 GLU 12 HG3 GLU 12 -7.711 3.847 -4.263
91 H ILE 13 H ILE 13 -8.793 3.595 0.425
92 HA ILE 13 HA ILE 13 -6.966 5.269 1.550
93 HB ILE 13 HB ILE 13 -8.962 3.409 2.817
94 HG12 ILE 13 HG12 ILE 13 -8.784 6.433 2.640
95 HG13 ILE 13 HG13 ILE 13 -9.697 5.425 1.516
96 HG21 ILE 13 HG21 ILE 13 -8.468 5.010 4.864
97 HG22 ILE 13 HG22 ILE 13 -6.877 5.129 4.115
98 HG23 ILE 13 HG23 ILE 13 -7.499 3.558 4.618
99 HD11 ILE 13 HD11 ILE 13 -10.555 4.523 3.989
100 HD12 ILE 13 HD12 ILE 13 -11.425 5.660 2.958
101 HD13 ILE 13 HD13 ILE 13 -10.377 6.260 4.243
102 H ALA 14 H ALA 14 -6.835 1.805 1.413
103 HA ALA 14 HA ALA 14 -4.836 1.471 3.451
104 HB1 ALA 14 HB1 ALA 14 -5.885 -0.540 3.157
105 HB2 ALA 14 HB2 ALA 14 -4.593 -0.771 1.978
106 HB3 ALA 14 HB3 ALA 14 -6.191 -0.248 1.444
107 H CYS 15 H CYS 15 -4.849 1.740 -0.077
108 HA CYS 15 HA CYS 15 -2.024 1.331 -0.358
109 HB2 CYS 15 HB2 CYS 15 -4.132 2.441 -2.219
110 HB3 CYS 15 HB3 CYS 15 -2.444 2.228 -2.681
111 H THR 16 H THR 16 -4.076 4.029 0.348
112 HA THR 16 HA THR 16 -2.218 6.078 -0.430
113 HB THR 16 HB THR 16 -4.588 6.204 1.451
114 HG1 THR 16 HG1 THR 16 -4.970 7.385 -0.888
115 HG21 THR 16 HG21 THR 16 -4.490 8.648 0.830
116 HG22 THR 16 HG22 THR 16 -2.925 8.331 0.083
117 HG23 THR 16 HG23 THR 16 -3.137 8.094 1.817
118 H LYS 17 H LYS 17 -2.707 4.085 2.363
119 HA LYS 17 HA LYS 17 -1.142 5.774 4.132
120 HB2 LYS 17 HB2 LYS 17 -2.244 2.975 4.468
121 HB3 LYS 17 HB3 LYS 17 -1.425 3.892 5.733
122 HG2 LYS 17 HG2 LYS 17 -3.531 5.455 4.461
123 HG3 LYS 17 HG3 LYS 17 -4.156 3.962 5.161
124 HD2 LYS 17 HD2 LYS 17 -2.928 4.528 7.283
125 HD3 LYS 17 HD3 LYS 17 -2.530 6.093 6.573
126 HE2 LYS 17 HE2 LYS 17 -4.773 6.794 6.548
127 HE3 LYS 17 HE3 LYS 17 -5.386 5.146 6.678
128 HZ1 LYS 17 HZ1 LYS 17 -4.195 5.143 8.924
129 HZ2 LYS 17 HZ2 LYS 17 -5.653 6.006 8.798
130 HZ3 LYS 17 HZ3 LYS 17 -4.169 6.833 8.771
131 H CYS 18 H CYS 18 -0.614 3.191 1.904
132 HA CYS 18 HA CYS 18 1.862 2.257 3.026
133 HB2 CYS 18 HB2 CYS 18 0.385 1.839 0.453
134 HB3 CYS 18 HB3 CYS 18 2.080 1.364 0.561
135 H ARG 19 H ARG 19 0.990 4.385 0.312
136 HA ARG 19 HA ARG 19 3.546 4.988 -0.611
137 HB2 ARG 19 HB2 ARG 19 2.561 6.736 -1.781
138 HB3 ARG 19 HB3 ARG 19 1.165 5.704 -1.466
139 HG2 ARG 19 HG2 ARG 19 0.810 7.065 0.666
140 HG3 ARG 19 HG3 ARG 19 1.996 8.202 0.025
141 HD2 ARG 19 HD2 ARG 19 -0.125 7.426 -1.879
142 HD3 ARG 19 HD3 ARG 19 -0.686 8.339 -0.482
143 HE ARG 19 HE ARG 19 1.631 9.411 -1.914
144 HH11 ARG 19 HH21 ARG 19 -1.772 9.440 -1.280
145 HH12 ARG 19 HH22 ARG 19 -2.010 11.045 -1.886
146 HH21 ARG 19 HH11 ARG 19 1.326 11.515 -2.709
147 HH22 ARG 19 HH12 ARG 19 -0.256 12.220 -2.694
148 H ASP 20 H ASP 20 1.736 6.278 2.112
149 HA ASP 20 HA ASP 20 3.463 8.445 2.720
150 HB2 ASP 20 HB2 ASP 20 1.200 8.329 3.620
151 HB3 ASP 20 HB3 ASP 20 1.604 6.860 4.506
152 H ARG 21 H ARG 21 3.483 5.033 3.547
153 HA ARG 21 HA ARG 21 5.354 5.097 5.649
154 HB2 ARG 21 HB2 ARG 21 3.949 3.121 4.953
155 HB3 ARG 21 HB3 ARG 21 5.061 2.891 3.603
156 HG2 ARG 21 HG2 ARG 21 6.946 2.789 5.271
157 HG3 ARG 21 HG3 ARG 21 5.737 2.804 6.555
158 HD2 ARG 21 HD2 ARG 21 5.608 0.785 4.322
159 HD3 ARG 21 HD3 ARG 21 6.608 0.504 5.743
160 HE ARG 21 HE ARG 21 4.629 0.413 7.070
161 HH11 ARG 21 HH21 ARG 21 4.060 0.927 3.690
162 HH12 ARG 21 HH22 ARG 21 2.389 0.481 3.766
163 HH21 ARG 21 HH11 ARG 21 2.440 -0.169 7.170
164 HH22 ARG 21 HH12 ARG 21 1.473 -0.141 5.733
165 H VAL 22 H VAL 22 5.728 5.341 2.190
166 HA VAL 22 HA VAL 22 8.666 5.419 2.550
167 HB VAL 22 HB VAL 22 7.433 4.901 -0.122
168 HG11 VAL 22 HG11 VAL 22 9.969 4.128 1.339
169 HG12 VAL 22 HG12 VAL 22 9.813 5.170 -0.075
170 HG13 VAL 22 HG13 VAL 22 9.519 3.437 -0.220
171 HG21 VAL 22 HG21 VAL 22 6.246 3.332 1.321
172 HG22 VAL 22 HG22 VAL 22 7.755 2.866 2.106
173 HG23 VAL 22 HG23 VAL 22 7.477 2.453 0.414
174 H ARG 23 H ARG 23 5.871 7.150 1.671
175 HA ARG 23 HA ARG 23 5.527 9.265 0.842
176 HB2 ARG 23 HB2 ARG 23 8.451 9.746 1.417
177 HB3 ARG 23 HB3 ARG 23 7.143 10.929 1.391
178 HG2 ARG 23 HG2 ARG 23 6.126 9.926 3.356
179 HG3 ARG 23 HG3 ARG 23 7.307 8.615 3.344
180 HD2 ARG 23 HD2 ARG 23 7.550 11.027 4.721
181 HD3 ARG 23 HD3 ARG 23 8.841 9.870 4.416
182 HE ARG 23 HE ARG 23 8.328 11.812 2.295
183 HH11 ARG 23 HH21 ARG 23 10.147 10.863 5.083
184 HH12 ARG 23 HH22 ARG 23 11.501 11.877 4.716
185 HH21 ARG 23 HH11 ARG 23 10.101 13.143 1.806
186 HH22 ARG 23 HH12 ARG 23 11.475 13.170 2.860
187 H THR 24 H THR 24 5.969 7.374 -1.121
188 HA THR 24 HA THR 24 7.197 9.038 -3.195
189 HB THR 24 HB THR 24 7.909 6.114 -2.985
190 HG1 THR 24 HG1 THR 24 9.290 8.412 -2.071
191 HG21 THR 24 HG21 THR 24 9.198 8.407 -4.485
192 HG22 THR 24 HG22 THR 24 8.030 7.297 -5.199
193 HG23 THR 24 HG23 THR 24 9.586 6.692 -4.630
194 H ASP 25 H ASP 25 5.803 9.193 -4.816
195 HA ASP 25 HA ASP 25 3.380 7.873 -5.029
196 HB2 ASP 25 HB2 ASP 25 3.588 8.504 -7.530
197 HB3 ASP 25 HB3 ASP 25 3.605 9.805 -6.341
198 H ASP 26 H ASP 26 6.549 6.924 -6.215
199 HA ASP 26 HA ASP 26 5.731 4.837 -7.936
200 HB2 ASP 26 HB2 ASP 26 8.261 5.575 -6.535
201 HB3 ASP 26 HB3 ASP 26 8.125 3.952 -7.207
202 H TYR 27 H TYR 27 5.652 5.122 -4.539
203 HA TYR 27 HA TYR 27 5.596 2.204 -4.168
204 HB2 TYR 27 HB2 TYR 27 6.396 4.458 -2.518
205 HB3 TYR 27 HB3 TYR 27 5.250 3.414 -1.677
206 HD1 TYR 27 HD1 TYR 27 5.697 0.831 -1.867
207 HD2 TYR 27 HD2 TYR 27 8.659 3.857 -2.584
208 HE1 TYR 27 HE1 TYR 27 7.493 -0.839 -1.494
209 HE2 TYR 27 HE2 TYR 27 10.455 2.189 -2.210
210 HH TYR 27 HH TYR 27 10.444 -0.610 -2.479
211 H PHE 28 H PHE 28 3.465 4.473 -5.049
212 HA PHE 28 HA PHE 28 1.288 3.641 -3.273
213 HB2 PHE 28 HB2 PHE 28 1.224 5.966 -3.686
214 HB3 PHE 28 HB3 PHE 28 1.566 5.755 -5.405
215 HD1 PHE 28 HD1 PHE 28 -0.960 4.848 -2.797
216 HD2 PHE 28 HD2 PHE 28 -0.197 5.681 -6.938
217 HE1 PHE 28 HE1 PHE 28 -3.388 4.723 -3.268
218 HE2 PHE 28 HE2 PHE 28 -2.623 5.558 -7.411
219 HZ PHE 28 HZ PHE 28 -4.225 5.079 -5.577
220 H TYR 29 H TYR 29 2.250 3.543 -6.679
221 HA TYR 29 HA TYR 29 -0.061 2.116 -7.571
222 HB2 TYR 29 HB2 TYR 29 1.774 3.490 -8.901
223 HB3 TYR 29 HB3 TYR 29 2.555 1.912 -9.003
224 HD1 TYR 29 HD1 TYR 29 -0.545 3.796 -9.794
225 HD2 TYR 29 HD2 TYR 29 1.671 0.163 -10.383
226 HE1 TYR 29 HE1 TYR 29 -2.104 3.140 -11.607
227 HE2 TYR 29 HE2 TYR 29 0.112 -0.492 -12.198
228 HH TYR 29 HH TYR 29 -1.560 0.200 -13.523
229 H GLU 30 H GLU 30 2.883 1.253 -6.004
230 HA GLU 30 HA GLU 30 3.060 -1.463 -6.820
231 HB2 GLU 30 HB2 GLU 30 4.271 0.250 -4.734
232 HB3 GLU 30 HB3 GLU 30 4.213 -1.474 -4.366
233 HG2 GLU 30 HG2 GLU 30 5.633 -2.034 -6.088
234 HG3 GLU 30 HG3 GLU 30 5.106 -0.691 -7.100
235 H CYS 31 H CYS 31 1.100 0.230 -4.510
236 HA CYS 31 HA CYS 31 0.364 -2.090 -2.973
237 HB2 CYS 31 HB2 CYS 31 0.250 0.103 -1.939
238 HB3 CYS 31 HB3 CYS 31 -0.873 0.665 -3.178
239 H CYS 32 H CYS 32 -1.176 -0.139 -5.514
240 HA CYS 32 HA CYS 32 -3.575 -1.645 -5.643
241 HB2 CYS 32 HB2 CYS 32 -2.720 0.686 -6.765
242 HB3 CYS 32 HB3 CYS 32 -2.638 -0.403 -8.150
243 H THR 33 H THR 33 -0.478 -2.597 -6.318
244 HA THR 33 HA THR 33 -1.442 -4.845 -7.932
245 HB THR 33 HB THR 33 1.135 -3.685 -8.829
246 HG1 THR 33 HG1 THR 33 -1.166 -2.622 -9.968
247 HG21 THR 33 HG21 THR 33 -1.277 -4.968 -10.133
248 HG22 THR 33 HG22 THR 33 0.315 -5.686 -9.884
249 HG23 THR 33 HG23 THR 33 0.112 -4.367 -11.038
250 H SER 34 H SER 34 1.324 -5.631 -8.516
251 HA SER 34 HA SER 34 2.633 -7.290 -7.514
252 HB2 SER 34 HB2 SER 34 3.998 -5.276 -7.440
253 HB3 SER 34 HB3 SER 34 3.242 -4.786 -5.927
254 HG SER 34 HG SER 34 4.030 -6.887 -5.122
255 H GLU 35 H GLU 35 1.267 -8.766 -6.543
256 HA GLU 35 HA GLU 35 -0.088 -8.381 -4.094
257 HB2 GLU 35 HB2 GLU 35 -0.233 -10.867 -4.049
258 HB3 GLU 35 HB3 GLU 35 -0.713 -10.183 -5.603
259 HG2 GLU 35 HG2 GLU 35 1.474 -10.686 -6.550
260 HG3 GLU 35 HG3 GLU 35 2.056 -11.251 -4.985
261 H SER 36 H SER 36 3.158 -9.477 -4.878
262 HA SER 36 HA SER 36 3.933 -10.557 -2.424
263 HB2 SER 36 HB2 SER 36 5.721 -10.872 -3.754
264 HB3 SER 36 HB3 SER 36 5.245 -9.555 -4.822
265 HG SER 36 HG SER 36 6.341 -9.072 -2.266
266 H THR 37 H THR 37 4.563 -7.236 -3.586
267 HA THR 37 HA THR 37 5.438 -6.250 -1.086
268 HB THR 37 HB THR 37 4.269 -4.800 -3.474
269 HG1 THR 37 HG1 THR 37 6.840 -4.377 -3.083
270 HG21 THR 37 HG21 THR 37 5.051 -3.885 -0.810
271 HG22 THR 37 HG22 THR 37 4.182 -3.026 -2.081
272 HG23 THR 37 HG23 THR 37 5.945 -3.072 -2.094
273 H PHE 38 H PHE 38 2.265 -6.452 -2.602
274 HA PHE 38 HA PHE 38 0.797 -4.773 -0.931
275 HB2 PHE 38 HB2 PHE 38 -0.046 -5.930 -2.996
276 HB3 PHE 38 HB3 PHE 38 -0.157 -7.416 -2.053
277 HD1 PHE 38 HD2 PHE 38 -1.339 -3.880 -2.191
278 HD2 PHE 38 HD1 PHE 38 -2.007 -7.828 -0.635
279 HE1 PHE 38 HE2 PHE 38 -3.543 -3.162 -1.314
280 HE2 PHE 38 HE1 PHE 38 -4.212 -7.109 0.241
281 HZ PHE 38 HZ PHE 38 -4.980 -4.775 -0.098
282 H LYS 39 H LYS 39 1.273 -8.298 -0.595
283 HA LYS 39 HA LYS 39 -0.030 -8.723 1.791
284 HB2 LYS 39 HB2 LYS 39 2.363 -9.989 0.510
285 HB3 LYS 39 HB3 LYS 39 1.916 -10.463 2.150
286 HG2 LYS 39 HG2 LYS 39 -0.001 -11.507 1.471
287 HG3 LYS 39 HG3 LYS 39 -0.313 -10.326 0.198
288 HD2 LYS 39 HD2 LYS 39 1.585 -11.333 -1.109
289 HD3 LYS 39 HD3 LYS 39 1.694 -12.596 0.119
290 HE2 LYS 39 HE2 LYS 39 -0.962 -12.688 -0.411
291 HE3 LYS 39 HE3 LYS 39 -0.355 -12.177 -1.985
292 HZ1 LYS 39 HZ1 LYS 39 -0.238 -14.467 -2.093
293 HZ2 LYS 39 HZ2 LYS 39 0.251 -14.635 -0.475
294 HZ3 LYS 39 HZ3 LYS 39 1.343 -14.052 -1.639
295 H LYS 40 H LYS 40 3.348 -7.688 1.343
296 HA LYS 40 HA LYS 40 4.044 -7.566 4.065
297 HB2 LYS 40 HB2 LYS 40 5.774 -7.475 2.400
298 HB3 LYS 40 HB3 LYS 40 5.078 -6.023 1.680
299 HG2 LYS 40 HG2 LYS 40 5.946 -4.652 3.283
300 HG3 LYS 40 HG3 LYS 40 5.674 -5.826 4.571
301 HD2 LYS 40 HD2 LYS 40 7.598 -7.172 3.596
302 HD3 LYS 40 HD3 LYS 40 7.945 -5.779 2.572
303 HE2 LYS 40 HE2 LYS 40 7.599 -5.267 5.487
304 HE3 LYS 40 HE3 LYS 40 9.079 -6.081 4.984
305 HZ1 LYS 40 HZ1 LYS 40 9.088 -3.553 5.031
306 HZ2 LYS 40 HZ2 LYS 40 8.124 -3.632 3.633
307 HZ3 LYS 40 HZ3 LYS 40 9.685 -4.302 3.630
308 H CYS 41 H CYS 41 2.938 -4.973 1.877
309 HA CYS 41 HA CYS 41 2.921 -2.830 3.586
310 HB2 CYS 41 HB2 CYS 41 1.715 -3.481 1.099
311 HB3 CYS 41 HB3 CYS 41 0.464 -2.770 2.119
312 H GLN 42 H GLN 42 0.507 -5.407 3.341
313 HA GLN 42 HA GLN 42 -1.272 -4.269 5.276
314 HB2 GLN 42 HB2 GLN 42 -1.010 -6.990 4.009
315 HB3 GLN 42 HB3 GLN 42 -2.184 -6.677 5.288
316 HG2 GLN 42 HG2 GLN 42 -2.198 -4.611 3.215
317 HG3 GLN 42 HG3 GLN 42 -2.584 -6.211 2.583
318 HE21 GLN 42 HE21 GLN 42 -3.628 -3.733 4.914
319 HE22 GLN 42 HE22 GLN 42 -5.183 -4.372 5.144
320 H THR 43 H THR 43 1.048 -6.973 5.369
321 HA THR 43 HA THR 43 0.770 -7.776 7.988
322 HB THR 43 HB THR 43 3.175 -7.629 6.185
323 HG1 THR 43 HG1 THR 43 2.055 -9.326 5.608
324 HG21 THR 43 HG21 THR 43 3.021 -8.445 9.079
325 HG22 THR 43 HG22 THR 43 4.241 -7.458 8.273
326 HG23 THR 43 HG23 THR 43 4.187 -9.198 7.990
327 H MET 44 H MET 44 2.442 -4.949 6.729
328 HA MET 44 HA MET 44 3.623 -4.223 9.254
329 HB2 MET 44 HB2 MET 44 4.602 -3.563 7.065
330 HB3 MET 44 HB3 MET 44 3.199 -2.532 6.779
331 HG2 MET 44 HG2 MET 44 3.780 -1.042 8.486
332 HG3 MET 44 HG3 MET 44 4.778 -2.234 9.321
333 HE1 MET 44 HE1 MET 44 7.301 -1.419 9.451
334 HE2 MET 44 HE2 MET 44 8.135 -2.051 8.033
335 HE3 MET 44 HE3 MET 44 6.873 -3.009 8.806
336 H LEU 45 H LEU 45 0.855 -3.100 7.328
337 HA LEU 45 HA LEU 45 0.016 -1.002 8.964
338 HB2 LEU 45 HB2 LEU 45 -1.346 -2.822 7.022
339 HB3 LEU 45 HB3 LEU 45 -2.337 -1.776 8.041
340 HG LEU 45 HG LEU 45 -0.035 -0.814 6.317
341 HD11 LEU 45 HD11 LEU 45 -2.772 0.057 5.687
342 HD12 LEU 45 HD12 LEU 45 -2.504 -1.668 5.436
343 HD13 LEU 45 HD13 LEU 45 -1.489 -0.487 4.607
344 HD21 LEU 45 HD21 LEU 45 -1.807 0.409 8.351
345 HD22 LEU 45 HD22 LEU 45 -1.622 1.338 6.864
346 HD23 LEU 45 HD23 LEU 45 -0.201 0.904 7.814
347 H HIS 46 H HIS 46 0.147 -4.309 9.653
348 HA HIS 46 HA HIS 46 -1.727 -3.963 11.918
349 HB2 HIS 46 HB2 HIS 46 -1.463 -6.113 9.926
350 HB3 HIS 46 HB3 HIS 46 -1.548 -6.674 11.596
351 HD1 HIS 46 HD1 HIS 46 -3.412 -4.309 12.609
352 HD2 HIS 46 HD2 HIS 46 -4.147 -6.714 9.284
353 HE1 HIS 46 HE1 HIS 46 -5.909 -4.217 12.196
354 H GLN 47 H GLN 47 1.329 -5.277 10.776
355 HA GLN 47 HA GLN 47 2.092 -5.882 13.564
356 HB2 GLN 47 HB2 GLN 47 2.297 -7.475 11.342
357 HB3 GLN 47 HB3 GLN 47 3.905 -6.753 11.419
358 HG2 GLN 47 HG2 GLN 47 2.490 -8.197 13.679
359 HG3 GLN 47 HG3 GLN 47 3.846 -8.819 12.741
360 HE21 GLN 47 HE21 GLN 47 3.382 -7.772 15.724
361 HE22 GLN 47 HE22 GLN 47 4.778 -6.843 15.984
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 -9.128 6.855 -13.256
2 H2 ALA 1 H2 ALA 1 -9.587 6.085 -11.813
3 H3 ALA 1 H3 ALA 1 -9.972 5.386 -13.313
4 HA ALA 1 HA ALA 1 -7.413 5.427 -13.669
5 HB1 ALA 1 HB1 ALA 1 -6.121 5.346 -11.694
6 HB2 ALA 1 HB2 ALA 1 -7.540 5.100 -10.673
7 HB3 ALA 1 HB3 ALA 1 -7.242 6.677 -11.405
8 H ASP 2 H ASP 2 -9.723 3.974 -11.406
9 HA ASP 2 HA ASP 2 -10.075 1.741 -10.848
10 HB2 ASP 2 HB2 ASP 2 -10.003 1.070 -13.738
11 HB3 ASP 2 HB3 ASP 2 -11.263 0.775 -12.541
12 H ASP 3 H ASP 3 -7.183 2.560 -11.345
13 HA ASP 3 HA ASP 3 -5.891 0.293 -12.530
14 HB2 ASP 3 HB2 ASP 3 -4.977 2.658 -10.919
15 HB3 ASP 3 HB3 ASP 3 -3.869 1.327 -11.252
16 H LYS 4 H LYS 4 -7.349 -1.183 -11.138
17 HA LYS 4 HA LYS 4 -7.530 -2.743 -9.462
18 HB2 LYS 4 HB2 LYS 4 -4.579 -2.201 -9.065
19 HB3 LYS 4 HB3 LYS 4 -5.462 -3.657 -8.607
20 HG2 LYS 4 HG2 LYS 4 -5.513 -2.745 -11.467
21 HG3 LYS 4 HG3 LYS 4 -4.106 -3.618 -10.861
22 HD2 LYS 4 HD2 LYS 4 -6.959 -4.608 -10.603
23 HD3 LYS 4 HD3 LYS 4 -5.844 -5.119 -11.870
24 HE2 LYS 4 HE2 LYS 4 -4.287 -5.537 -9.697
25 HE3 LYS 4 HE3 LYS 4 -5.876 -5.820 -8.986
26 HZ1 LYS 4 HZ1 LYS 4 -6.168 -7.680 -10.174
27 HZ2 LYS 4 HZ2 LYS 4 -4.476 -7.657 -10.339
28 HZ3 LYS 4 HZ3 LYS 4 -5.462 -7.036 -11.576
29 H CYS 5 H CYS 5 -7.042 0.417 -8.889
30 HA CYS 5 HA CYS 5 -7.019 0.104 -5.949
31 HB2 CYS 5 HB2 CYS 5 -6.083 2.293 -7.774
32 HB3 CYS 5 HB3 CYS 5 -6.561 2.674 -6.119
33 H GLU 6 H GLU 6 -8.107 2.890 -7.802
34 HA GLU 6 HA GLU 6 -10.265 3.631 -6.382
35 HB2 GLU 6 HB2 GLU 6 -9.326 4.231 -8.909
36 HB3 GLU 6 HB3 GLU 6 -10.944 3.604 -9.229
37 HG2 GLU 6 HG2 GLU 6 -11.703 5.147 -7.291
38 HG3 GLU 6 HG3 GLU 6 -10.146 5.946 -7.504
39 H ASP 7 H ASP 7 -10.023 0.756 -8.319
40 HA ASP 7 HA ASP 7 -12.731 0.133 -8.679
41 HB2 ASP 7 HB2 ASP 7 -10.202 -1.451 -8.542
42 HB3 ASP 7 HB3 ASP 7 -11.738 -2.313 -8.493
43 H SER 8 H SER 8 -11.014 0.484 -5.814
44 HA SER 8 HA SER 8 -13.231 -0.525 -4.255
45 HB2 SER 8 HB2 SER 8 -11.495 -1.911 -2.853
46 HB3 SER 8 HB3 SER 8 -12.240 -2.621 -4.282
47 HG SER 8 HG SER 8 -9.872 -1.128 -4.525
48 H LEU 9 H LEU 9 -13.305 1.675 -3.620
49 HA LEU 9 HA LEU 9 -11.355 3.332 -2.695
50 HB2 LEU 9 HB2 LEU 9 -14.213 2.971 -2.098
51 HB3 LEU 9 HB3 LEU 9 -13.304 3.799 -0.833
52 HG LEU 9 HG LEU 9 -13.277 4.561 -3.768
53 HD11 LEU 9 HD11 LEU 9 -15.425 4.941 -2.343
54 HD12 LEU 9 HD12 LEU 9 -14.772 6.302 -3.254
55 HD13 LEU 9 HD13 LEU 9 -14.470 6.174 -1.520
56 HD21 LEU 9 HD21 LEU 9 -12.410 6.659 -2.079
57 HD22 LEU 9 HD22 LEU 9 -11.427 5.721 -3.202
58 HD23 LEU 9 HD23 LEU 9 -11.574 5.209 -1.521
59 H ARG 10 H ARG 10 -12.212 0.315 -1.365
60 HA ARG 10 HA ARG 10 -11.336 0.839 1.330
61 HB2 ARG 10 HB2 ARG 10 -12.955 -1.025 0.359
62 HB3 ARG 10 HB3 ARG 10 -11.448 -1.928 0.209
63 HG2 ARG 10 HG2 ARG 10 -11.013 -1.805 2.542
64 HG3 ARG 10 HG3 ARG 10 -12.214 -0.534 2.779
65 HD2 ARG 10 HD2 ARG 10 -13.843 -2.050 3.090
66 HD3 ARG 10 HD3 ARG 10 -13.451 -2.849 1.570
67 HE ARG 10 HE ARG 10 -12.180 -4.407 2.761
68 HH11 ARG 10 HH21 ARG 10 -13.125 -1.726 4.736
69 HH12 ARG 10 HH22 ARG 10 -12.635 -2.470 6.222
70 HH21 ARG 10 HH11 ARG 10 -11.535 -5.389 4.706
71 HH22 ARG 10 HH12 ARG 10 -11.735 -4.544 6.204
72 H ARG 11 H ARG 11 -9.983 -0.877 -1.481
73 HA ARG 11 HA ARG 11 -7.542 -1.591 -0.218
74 HB2 ARG 11 HB2 ARG 11 -8.745 -1.840 -2.836
75 HB3 ARG 11 HB3 ARG 11 -7.052 -1.367 -2.977
76 HG2 ARG 11 HG2 ARG 11 -6.507 -3.222 -1.331
77 HG3 ARG 11 HG3 ARG 11 -8.175 -3.768 -1.514
78 HD2 ARG 11 HD2 ARG 11 -6.762 -3.263 -4.055
79 HD3 ARG 11 HD3 ARG 11 -6.103 -4.590 -3.103
80 HE ARG 11 HE ARG 11 -8.580 -4.604 -4.527
81 HH11 ARG 11 HH21 ARG 11 -6.995 -5.680 -1.645
82 HH12 ARG 11 HH22 ARG 11 -8.004 -7.074 -1.446
83 HH21 ARG 11 HH11 ARG 11 -9.908 -6.429 -4.272
84 HH22 ARG 11 HH12 ARG 11 -9.652 -7.498 -2.933
85 H GLU 12 H GLU 12 -8.716 1.372 -1.449
86 HA GLU 12 HA GLU 12 -6.205 2.544 -2.179
87 HB2 GLU 12 HB2 GLU 12 -8.602 3.275 -2.843
88 HB3 GLU 12 HB3 GLU 12 -8.611 4.116 -1.294
89 HG2 GLU 12 HG2 GLU 12 -6.335 5.097 -2.040
90 HG3 GLU 12 HG3 GLU 12 -6.788 4.558 -3.657
91 H ILE 13 H ILE 13 -8.249 2.644 0.721
92 HA ILE 13 HA ILE 13 -6.819 4.504 2.219
93 HB ILE 13 HB ILE 13 -8.227 2.021 3.227
94 HG12 ILE 13 HG12 ILE 13 -9.351 4.818 3.075
95 HG13 ILE 13 HG13 ILE 13 -9.486 3.711 1.707
96 HG21 ILE 13 HG21 ILE 13 -7.528 4.646 4.581
97 HG22 ILE 13 HG22 ILE 13 -6.776 3.085 4.911
98 HG23 ILE 13 HG23 ILE 13 -8.476 3.346 5.301
99 HD11 ILE 13 HD11 ILE 13 -10.681 2.093 3.050
100 HD12 ILE 13 HD12 ILE 13 -11.466 3.657 3.266
101 HD13 ILE 13 HD13 ILE 13 -10.392 3.029 4.517
102 H ALA 14 H ALA 14 -6.472 0.950 2.280
103 HA ALA 14 HA ALA 14 -4.262 0.872 4.013
104 HB1 ALA 14 HB1 ALA 14 -3.987 -1.400 3.325
105 HB2 ALA 14 HB2 ALA 14 -4.796 -1.101 1.787
106 HB3 ALA 14 HB3 ALA 14 -5.720 -1.073 3.288
107 H CYS 15 H CYS 15 -4.427 1.005 0.471
108 HA CYS 15 HA CYS 15 -1.646 0.824 -0.003
109 HB2 CYS 15 HB2 CYS 15 -3.210 0.440 -1.803
110 HB3 CYS 15 HB3 CYS 15 -3.865 2.070 -1.640
111 H THR 16 H THR 16 -3.812 3.626 0.316
112 HA THR 16 HA THR 16 -1.930 5.641 -0.170
113 HB THR 16 HB THR 16 -4.231 5.813 1.784
114 HG1 THR 16 HG1 THR 16 -4.367 6.447 -0.949
115 HG21 THR 16 HG21 THR 16 -3.059 7.909 -0.055
116 HG22 THR 16 HG22 THR 16 -2.545 7.702 1.619
117 HG23 THR 16 HG23 THR 16 -4.211 8.152 1.258
118 H LYS 17 H LYS 17 -2.927 4.137 2.890
119 HA LYS 17 HA LYS 17 -1.292 5.617 4.608
120 HB2 LYS 17 HB2 LYS 17 -2.762 3.066 4.716
121 HB3 LYS 17 HB3 LYS 17 -1.398 3.183 5.827
122 HG2 LYS 17 HG2 LYS 17 -2.306 5.438 6.546
123 HG3 LYS 17 HG3 LYS 17 -3.755 5.069 5.610
124 HD2 LYS 17 HD2 LYS 17 -4.189 3.098 6.956
125 HD3 LYS 17 HD3 LYS 17 -2.663 3.303 7.817
126 HE2 LYS 17 HE2 LYS 17 -5.069 5.140 7.893
127 HE3 LYS 17 HE3 LYS 17 -4.405 4.196 9.226
128 HZ1 LYS 17 HZ1 LYS 17 -3.206 6.540 7.875
129 HZ2 LYS 17 HZ2 LYS 17 -2.295 5.499 8.859
130 HZ3 LYS 17 HZ3 LYS 17 -3.601 6.366 9.514
131 H CYS 18 H CYS 18 -0.505 3.091 2.373
132 HA CYS 18 HA CYS 18 1.993 2.357 3.610
133 HB2 CYS 18 HB2 CYS 18 0.404 1.494 1.342
134 HB3 CYS 18 HB3 CYS 18 2.107 1.641 0.907
135 H ARG 19 H ARG 19 1.119 4.205 0.677
136 HA ARG 19 HA ARG 19 3.812 5.055 0.205
137 HB2 ARG 19 HB2 ARG 19 2.295 4.925 -1.663
138 HB3 ARG 19 HB3 ARG 19 1.167 6.036 -0.887
139 HG2 ARG 19 HG2 ARG 19 3.989 6.946 -1.287
140 HG3 ARG 19 HG3 ARG 19 2.926 6.900 -2.692
141 HD2 ARG 19 HD2 ARG 19 1.643 8.092 -0.344
142 HD3 ARG 19 HD3 ARG 19 3.082 8.968 -0.852
143 HE ARG 19 HE ARG 19 2.037 9.386 -2.955
144 HH11 ARG 19 HH21 ARG 19 0.079 7.626 -0.700
145 HH12 ARG 19 HH22 ARG 19 -1.403 7.935 -1.541
146 HH21 ARG 19 HH11 ARG 19 0.096 9.787 -4.057
147 HH22 ARG 19 HH12 ARG 19 -1.393 9.155 -3.439
148 H ASP 20 H ASP 20 0.926 6.626 1.579
149 HA ASP 20 HA ASP 20 1.984 9.170 1.990
150 HB2 ASP 20 HB2 ASP 20 -0.406 8.071 2.502
151 HB3 ASP 20 HB3 ASP 20 0.260 8.037 4.134
152 H ARG 21 H ARG 21 2.894 6.211 3.386
153 HA ARG 21 HA ARG 21 4.049 7.426 5.784
154 HB2 ARG 21 HB2 ARG 21 3.058 4.873 5.172
155 HB3 ARG 21 HB3 ARG 21 4.801 4.665 5.320
156 HG2 ARG 21 HG2 ARG 21 4.801 5.671 7.521
157 HG3 ARG 21 HG3 ARG 21 3.102 6.117 7.366
158 HD2 ARG 21 HD2 ARG 21 2.804 3.514 6.949
159 HD3 ARG 21 HD3 ARG 21 4.319 3.423 7.841
160 HE ARG 21 HE ARG 21 2.340 5.069 9.144
161 HH11 ARG 21 HH21 ARG 21 3.509 1.855 8.606
162 HH12 ARG 21 HH22 ARG 21 2.863 1.224 10.084
163 HH21 ARG 21 HH11 ARG 21 1.493 4.249 11.083
164 HH22 ARG 21 HH12 ARG 21 1.723 2.580 11.487
165 H VAL 22 H VAL 22 4.956 6.245 2.634
166 HA VAL 22 HA VAL 22 7.809 6.658 3.261
167 HB VAL 22 HB VAL 22 6.781 5.441 0.714
168 HG11 VAL 22 HG11 VAL 22 9.226 4.685 2.299
169 HG12 VAL 22 HG12 VAL 22 9.242 6.121 1.275
170 HG13 VAL 22 HG13 VAL 22 8.941 4.535 0.565
171 HG21 VAL 22 HG21 VAL 22 7.405 3.283 2.280
172 HG22 VAL 22 HG22 VAL 22 5.760 3.859 2.000
173 HG23 VAL 22 HG23 VAL 22 6.630 4.346 3.455
174 H ARG 23 H ARG 23 5.166 8.178 1.889
175 HA ARG 23 HA ARG 23 4.890 9.955 0.449
176 HB2 ARG 23 HB2 ARG 23 7.693 10.731 1.246
177 HB3 ARG 23 HB3 ARG 23 6.328 11.784 0.869
178 HG2 ARG 23 HG2 ARG 23 5.142 10.837 2.883
179 HG3 ARG 23 HG3 ARG 23 6.639 9.997 3.297
180 HD2 ARG 23 HD2 ARG 23 6.060 12.942 3.299
181 HD3 ARG 23 HD3 ARG 23 6.851 11.964 4.532
182 HE ARG 23 HE ARG 23 8.492 11.872 2.286
183 HH11 ARG 23 HH21 ARG 23 7.191 14.223 4.467
184 HH12 ARG 23 HH22 ARG 23 8.528 15.312 4.308
185 HH21 ARG 23 HH11 ARG 23 10.248 13.293 2.072
186 HH22 ARG 23 HH12 ARG 23 10.260 14.785 2.951
187 H THR 24 H THR 24 5.810 7.598 -0.831
188 HA THR 24 HA THR 24 7.539 8.754 -2.937
189 HB THR 24 HB THR 24 7.347 5.798 -2.567
190 HG1 THR 24 HG1 THR 24 8.675 5.816 -0.877
191 HG21 THR 24 HG21 THR 24 9.272 5.798 -3.800
192 HG22 THR 24 HG22 THR 24 9.892 7.255 -3.022
193 HG23 THR 24 HG23 THR 24 8.688 7.384 -4.304
194 H ASP 25 H ASP 25 6.443 9.124 -4.743
195 HA ASP 25 HA ASP 25 3.831 8.230 -5.264
196 HB2 ASP 25 HB2 ASP 25 5.578 8.847 -7.583
197 HB3 ASP 25 HB3 ASP 25 3.979 9.468 -7.177
198 H ASP 26 H ASP 26 6.487 6.372 -5.054
199 HA ASP 26 HA ASP 26 5.773 4.582 -7.280
200 HB2 ASP 26 HB2 ASP 26 8.240 5.181 -5.807
201 HB3 ASP 26 HB3 ASP 26 7.964 3.460 -6.067
202 H TYR 27 H TYR 27 6.153 4.663 -3.755
203 HA TYR 27 HA TYR 27 5.764 2.004 -3.129
204 HB2 TYR 27 HB2 TYR 27 5.595 4.511 -1.743
205 HB3 TYR 27 HB3 TYR 27 4.240 3.491 -1.258
206 HD1 TYR 27 HD1 TYR 27 7.895 3.064 -2.040
207 HD2 TYR 27 HD2 TYR 27 4.616 2.097 0.563
208 HE1 TYR 27 HE1 TYR 27 9.415 1.704 -0.628
209 HE2 TYR 27 HE2 TYR 27 6.138 0.738 1.973
210 HH TYR 27 HH TYR 27 9.128 0.961 2.193
211 H PHE 28 H PHE 28 3.215 4.481 -3.515
212 HA PHE 28 HA PHE 28 0.992 2.891 -3.111
213 HB2 PHE 28 HB2 PHE 28 1.169 5.431 -3.589
214 HB3 PHE 28 HB3 PHE 28 1.054 4.965 -5.288
215 HD1 PHE 28 HD1 PHE 28 -0.951 3.756 -6.127
216 HD2 PHE 28 HD2 PHE 28 -0.718 5.258 -2.110
217 HE1 PHE 28 HE1 PHE 28 -3.404 3.503 -5.891
218 HE2 PHE 28 HE2 PHE 28 -3.170 5.004 -1.874
219 HZ PHE 28 HZ PHE 28 -4.517 4.126 -3.764
220 H TYR 29 H TYR 29 2.373 3.713 -6.300
221 HA TYR 29 HA TYR 29 0.869 2.068 -7.897
222 HB2 TYR 29 HB2 TYR 29 2.753 3.697 -8.551
223 HB3 TYR 29 HB3 TYR 29 3.838 2.326 -8.324
224 HD1 TYR 29 HD1 TYR 29 0.563 3.135 -9.975
225 HD2 TYR 29 HD2 TYR 29 4.249 0.936 -10.147
226 HE1 TYR 29 HE1 TYR 29 -0.060 2.267 -12.213
227 HE2 TYR 29 HE2 TYR 29 3.627 0.069 -12.385
228 HH TYR 29 HH TYR 29 1.781 1.209 -14.350
229 H GLU 30 H GLU 30 3.601 1.171 -5.857
230 HA GLU 30 HA GLU 30 3.857 -1.492 -6.858
231 HB2 GLU 30 HB2 GLU 30 4.799 -0.117 -4.345
232 HB3 GLU 30 HB3 GLU 30 5.087 -1.833 -4.634
233 HG2 GLU 30 HG2 GLU 30 5.914 0.404 -6.507
234 HG3 GLU 30 HG3 GLU 30 6.992 -0.423 -5.385
235 H CYS 31 H CYS 31 1.708 0.052 -4.651
236 HA CYS 31 HA CYS 31 0.952 -2.304 -3.186
237 HB2 CYS 31 HB2 CYS 31 -0.567 -0.929 -2.072
238 HB3 CYS 31 HB3 CYS 31 0.697 0.211 -2.533
239 H CYS 32 H CYS 32 -0.580 -0.389 -5.779
240 HA CYS 32 HA CYS 32 -2.781 -2.188 -6.076
241 HB2 CYS 32 HB2 CYS 32 -2.067 0.368 -7.049
242 HB3 CYS 32 HB3 CYS 32 -2.312 -0.659 -8.462
243 H THR 33 H THR 33 0.397 -2.649 -6.764
244 HA THR 33 HA THR 33 0.199 -3.870 -9.361
245 HB THR 33 HB THR 33 2.387 -4.502 -7.410
246 HG1 THR 33 HG1 THR 33 2.013 -2.263 -7.260
247 HG21 THR 33 HG21 THR 33 2.120 -5.355 -9.862
248 HG22 THR 33 HG22 THR 33 3.691 -4.744 -9.345
249 HG23 THR 33 HG23 THR 33 2.621 -3.725 -10.307
250 H SER 34 H SER 34 1.901 -6.173 -8.395
251 HA SER 34 HA SER 34 0.029 -8.206 -8.452
252 HB2 SER 34 HB2 SER 34 2.707 -8.183 -8.447
253 HB3 SER 34 HB3 SER 34 2.444 -8.647 -6.768
254 HG SER 34 HG SER 34 2.350 -10.542 -7.789
255 H GLU 35 H GLU 35 -0.574 -9.738 -6.722
256 HA GLU 35 HA GLU 35 -1.808 -8.372 -4.542
257 HB2 GLU 35 HB2 GLU 35 -2.702 -10.444 -5.648
258 HB3 GLU 35 HB3 GLU 35 -1.414 -11.353 -4.859
259 HG2 GLU 35 HG2 GLU 35 -2.773 -9.645 -2.952
260 HG3 GLU 35 HG3 GLU 35 -3.922 -10.702 -3.771
261 H SER 36 H SER 36 1.058 -10.406 -4.877
262 HA SER 36 HA SER 36 1.688 -10.871 -2.219
263 HB2 SER 36 HB2 SER 36 4.082 -10.213 -3.678
264 HB3 SER 36 HB3 SER 36 3.503 -11.791 -3.151
265 HG SER 36 HG SER 36 2.694 -12.135 -5.077
266 H THR 37 H THR 37 2.684 -8.096 -4.232
267 HA THR 37 HA THR 37 4.128 -6.679 -2.329
268 HB THR 37 HB THR 37 2.866 -4.683 -3.729
269 HG1 THR 37 HG1 THR 37 2.383 -7.102 -4.922
270 HG21 THR 37 HG21 THR 37 4.821 -5.138 -5.403
271 HG22 THR 37 HG22 THR 37 5.262 -6.417 -4.270
272 HG23 THR 37 HG23 THR 37 5.206 -4.738 -3.729
273 H PHE 38 H PHE 38 0.648 -6.496 -3.046
274 HA PHE 38 HA PHE 38 -0.079 -4.558 -1.181
275 HB2 PHE 38 HB2 PHE 38 -1.399 -6.303 -2.940
276 HB3 PHE 38 HB3 PHE 38 -2.066 -6.662 -1.349
277 HD1 PHE 38 HD2 PHE 38 -1.879 -4.039 0.000
278 HD2 PHE 38 HD1 PHE 38 -3.043 -5.010 -4.019
279 HE1 PHE 38 HE2 PHE 38 -3.238 -1.967 -0.108
280 HE2 PHE 38 HE1 PHE 38 -4.402 -2.939 -4.127
281 HZ PHE 38 HZ PHE 38 -4.499 -1.416 -2.172
282 H LYS 39 H LYS 39 -0.226 -8.103 -0.782
283 HA LYS 39 HA LYS 39 -1.034 -8.333 1.807
284 HB2 LYS 39 HB2 LYS 39 -0.227 -10.136 0.085
285 HB3 LYS 39 HB3 LYS 39 1.317 -9.967 0.921
286 HG2 LYS 39 HG2 LYS 39 0.373 -11.592 2.253
287 HG3 LYS 39 HG3 LYS 39 -0.268 -10.167 3.070
288 HD2 LYS 39 HD2 LYS 39 -2.337 -10.322 1.746
289 HD3 LYS 39 HD3 LYS 39 -1.699 -11.733 0.903
290 HE2 LYS 39 HE2 LYS 39 -2.660 -12.971 2.532
291 HE3 LYS 39 HE3 LYS 39 -1.374 -12.382 3.586
292 HZ1 LYS 39 HZ1 LYS 39 -4.151 -11.478 3.356
293 HZ2 LYS 39 HZ2 LYS 39 -2.965 -10.339 3.783
294 HZ3 LYS 39 HZ3 LYS 39 -3.206 -11.720 4.743
295 H LYS 40 H LYS 40 2.101 -7.242 0.670
296 HA LYS 40 HA LYS 40 3.446 -7.384 3.178
297 HB2 LYS 40 HB2 LYS 40 4.261 -6.935 0.631
298 HB3 LYS 40 HB3 LYS 40 4.287 -5.289 1.267
299 HG2 LYS 40 HG2 LYS 40 5.559 -6.261 3.278
300 HG3 LYS 40 HG3 LYS 40 5.780 -7.708 2.292
301 HD2 LYS 40 HD2 LYS 40 6.571 -4.920 1.404
302 HD3 LYS 40 HD3 LYS 40 7.688 -6.079 2.127
303 HE2 LYS 40 HE2 LYS 40 8.034 -6.602 -0.088
304 HE3 LYS 40 HE3 LYS 40 6.657 -7.659 0.222
305 HZ1 LYS 40 HZ1 LYS 40 5.865 -4.996 -0.458
306 HZ2 LYS 40 HZ2 LYS 40 5.375 -6.477 -1.132
307 HZ3 LYS 40 HZ3 LYS 40 6.791 -5.715 -1.683
308 H CYS 41 H CYS 41 1.880 -4.698 1.431
309 HA CYS 41 HA CYS 41 2.328 -2.562 3.028
310 HB2 CYS 41 HB2 CYS 41 0.807 -2.623 1.027
311 HB3 CYS 41 HB3 CYS 41 -0.445 -3.299 2.069
312 H GLN 42 H GLN 42 0.210 -5.283 3.762
313 HA GLN 42 HA GLN 42 -0.854 -4.148 6.173
314 HB2 GLN 42 HB2 GLN 42 -1.425 -6.367 4.573
315 HB3 GLN 42 HB3 GLN 42 -0.873 -7.052 6.101
316 HG2 GLN 42 HG2 GLN 42 -2.452 -5.350 7.223
317 HG3 GLN 42 HG3 GLN 42 -3.169 -5.154 5.625
318 HE21 GLN 42 HE21 GLN 42 -3.462 -7.575 4.552
319 HE22 GLN 42 HE22 GLN 42 -4.278 -8.655 5.577
320 H THR 43 H THR 43 1.724 -6.465 5.416
321 HA THR 43 HA THR 43 2.443 -7.256 7.975
322 HB THR 43 HB THR 43 4.266 -6.712 5.620
323 HG1 THR 43 HG1 THR 43 3.128 -8.308 4.875
324 HG21 THR 43 HG21 THR 43 5.772 -7.011 7.348
325 HG22 THR 43 HG22 THR 43 5.479 -8.694 6.906
326 HG23 THR 43 HG23 THR 43 4.650 -7.990 8.295
327 H MET 44 H MET 44 3.306 -4.319 6.211
328 HA MET 44 HA MET 44 5.164 -3.356 8.158
329 HB2 MET 44 HB2 MET 44 5.011 -2.656 5.714
330 HB3 MET 44 HB3 MET 44 3.621 -1.674 6.182
331 HG2 MET 44 HG2 MET 44 4.943 -0.363 7.691
332 HG3 MET 44 HG3 MET 44 6.308 -1.472 7.560
333 HE1 MET 44 HE1 MET 44 7.477 0.456 7.510
334 HE2 MET 44 HE2 MET 44 7.570 1.704 6.270
335 HE3 MET 44 HE3 MET 44 8.450 0.194 6.056
336 H LEU 45 H LEU 45 1.745 -2.668 7.463
337 HA LEU 45 HA LEU 45 1.228 -0.630 9.226
338 HB2 LEU 45 HB2 LEU 45 -0.376 -2.918 8.192
339 HB3 LEU 45 HB3 LEU 45 -1.037 -2.006 9.550
340 HG LEU 45 HG LEU 45 0.004 -0.671 7.041
341 HD11 LEU 45 HD11 LEU 45 -2.317 -0.516 6.293
342 HD12 LEU 45 HD12 LEU 45 -2.864 -1.389 7.725
343 HD13 LEU 45 HD13 LEU 45 -1.884 -2.212 6.510
344 HD21 LEU 45 HD21 LEU 45 -0.146 0.996 8.641
345 HD22 LEU 45 HD22 LEU 45 -1.410 0.161 9.544
346 HD23 LEU 45 HD23 LEU 45 -1.808 1.011 8.050
347 H HIS 46 H HIS 46 1.103 -4.119 9.986
348 HA HIS 46 HA HIS 46 2.284 -3.873 12.523
349 HB2 HIS 46 HB2 HIS 46 -0.227 -2.806 12.619
350 HB3 HIS 46 HB3 HIS 46 -0.551 -4.481 13.063
351 HD1 HIS 46 HD1 HIS 46 1.598 -5.350 14.822
352 HD2 HIS 46 HD2 HIS 46 0.296 -1.390 14.921
353 HE1 HIS 46 HE1 HIS 46 2.314 -4.416 17.064
354 H GLN 47 H GLN 47 3.048 -5.667 10.954
355 HA GLN 47 HA GLN 47 3.355 -7.918 10.616
356 HB2 GLN 47 HB2 GLN 47 2.952 -7.762 13.216
357 HB3 GLN 47 HB3 GLN 47 1.434 -8.566 12.817
358 HG2 GLN 47 HG2 GLN 47 4.159 -9.558 11.939
359 HG3 GLN 47 HG3 GLN 47 3.300 -10.160 13.355
360 HE21 GLN 47 HE21 GLN 47 3.960 -11.198 10.390
361 HE22 GLN 47 HE22 GLN 47 2.498 -11.943 9.961
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 -9.743 3.383 -13.564
2 H2 ALA 1 H2 ALA 1 -10.796 2.051 -13.612
3 H3 ALA 1 H3 ALA 1 -10.263 2.768 -15.057
4 HA ALA 1 HA ALA 1 -8.656 1.263 -15.124
5 HB1 ALA 1 HB1 ALA 1 -6.699 1.801 -13.915
6 HB2 ALA 1 HB2 ALA 1 -7.613 2.379 -12.522
7 HB3 ALA 1 HB3 ALA 1 -7.570 3.332 -14.006
8 H ASP 2 H ASP 2 -10.208 1.516 -11.985
9 HA ASP 2 HA ASP 2 -10.409 -0.044 -10.260
10 HB2 ASP 2 HB2 ASP 2 -11.678 -2.028 -11.074
11 HB3 ASP 2 HB3 ASP 2 -12.314 -0.503 -11.687
12 H ASP 3 H ASP 3 -7.725 0.008 -11.285
13 HA ASP 3 HA ASP 3 -6.833 -2.705 -11.680
14 HB2 ASP 3 HB2 ASP 3 -4.548 -1.639 -11.351
15 HB3 ASP 3 HB3 ASP 3 -5.503 -1.011 -12.694
16 H LYS 4 H LYS 4 -8.112 -3.318 -9.632
17 HA LYS 4 HA LYS 4 -8.068 -4.127 -7.486
18 HB2 LYS 4 HB2 LYS 4 -5.085 -3.663 -7.599
19 HB3 LYS 4 HB3 LYS 4 -5.958 -4.828 -6.604
20 HG2 LYS 4 HG2 LYS 4 -6.734 -5.974 -8.672
21 HG3 LYS 4 HG3 LYS 4 -5.775 -4.845 -9.630
22 HD2 LYS 4 HD2 LYS 4 -4.058 -5.873 -7.614
23 HD3 LYS 4 HD3 LYS 4 -4.914 -7.251 -8.308
24 HE2 LYS 4 HE2 LYS 4 -4.286 -6.467 -10.582
25 HE3 LYS 4 HE3 LYS 4 -3.373 -5.145 -9.854
26 HZ1 LYS 4 HZ1 LYS 4 -1.941 -7.012 -10.382
27 HZ2 LYS 4 HZ2 LYS 4 -2.882 -8.041 -9.412
28 HZ3 LYS 4 HZ3 LYS 4 -2.005 -6.770 -8.705
29 H CYS 5 H CYS 5 -7.114 -1.024 -8.274
30 HA CYS 5 HA CYS 5 -6.931 -0.198 -5.444
31 HB2 CYS 5 HB2 CYS 5 -6.102 1.235 -7.977
32 HB3 CYS 5 HB3 CYS 5 -6.014 1.931 -6.358
33 H GLU 6 H GLU 6 -8.074 1.374 -8.438
34 HA GLU 6 HA GLU 6 -10.059 2.898 -7.109
35 HB2 GLU 6 HB2 GLU 6 -9.235 3.669 -9.227
36 HB3 GLU 6 HB3 GLU 6 -9.694 2.162 -10.020
37 HG2 GLU 6 HG2 GLU 6 -12.030 2.629 -9.747
38 HG3 GLU 6 HG3 GLU 6 -11.698 3.979 -8.665
39 H ASP 7 H ASP 7 -9.936 -0.377 -7.861
40 HA ASP 7 HA ASP 7 -12.653 -0.891 -8.521
41 HB2 ASP 7 HB2 ASP 7 -10.861 -2.515 -8.951
42 HB3 ASP 7 HB3 ASP 7 -10.601 -2.695 -7.217
43 H SER 8 H SER 8 -10.868 -0.784 -5.464
44 HA SER 8 HA SER 8 -13.462 -0.748 -4.051
45 HB2 SER 8 HB2 SER 8 -12.047 -1.907 -2.165
46 HB3 SER 8 HB3 SER 8 -12.752 -2.873 -3.459
47 HG SER 8 HG SER 8 -10.783 -2.916 -4.476
48 H LEU 9 H LEU 9 -13.610 1.318 -3.416
49 HA LEU 9 HA LEU 9 -11.481 3.065 -2.877
50 HB2 LEU 9 HB2 LEU 9 -13.996 3.564 -3.257
51 HB3 LEU 9 HB3 LEU 9 -14.159 3.294 -1.523
52 HG LEU 9 HG LEU 9 -12.435 5.017 -1.098
53 HD11 LEU 9 HD11 LEU 9 -10.996 5.274 -2.851
54 HD12 LEU 9 HD12 LEU 9 -12.173 6.474 -3.385
55 HD13 LEU 9 HD13 LEU 9 -12.219 4.839 -4.045
56 HD21 LEU 9 HD21 LEU 9 -14.456 6.098 -0.953
57 HD22 LEU 9 HD22 LEU 9 -14.973 5.563 -2.551
58 HD23 LEU 9 HD23 LEU 9 -13.858 6.920 -2.393
59 H ARG 10 H ARG 10 -12.702 0.457 -1.073
60 HA ARG 10 HA ARG 10 -11.905 1.463 1.529
61 HB2 ARG 10 HB2 ARG 10 -13.083 -1.086 0.484
62 HB3 ARG 10 HB3 ARG 10 -12.318 -1.078 2.073
63 HG2 ARG 10 HG2 ARG 10 -13.765 0.818 2.748
64 HG3 ARG 10 HG3 ARG 10 -14.551 0.765 1.170
65 HD2 ARG 10 HD2 ARG 10 -15.063 -1.698 1.697
66 HD3 ARG 10 HD3 ARG 10 -14.612 -1.316 3.357
67 HE ARG 10 HE ARG 10 -16.978 -0.346 1.929
68 HH11 ARG 10 HH21 ARG 10 -14.897 -0.252 4.694
69 HH12 ARG 10 HH22 ARG 10 -16.066 0.510 5.720
70 HH21 ARG 10 HH11 ARG 10 -18.514 0.655 3.270
71 HH22 ARG 10 HH12 ARG 10 -18.113 1.022 4.914
72 H ARG 11 H ARG 11 -10.714 -0.909 -0.832
73 HA ARG 11 HA ARG 11 -8.428 -1.627 0.763
74 HB2 ARG 11 HB2 ARG 11 -8.919 -2.098 -2.187
75 HB3 ARG 11 HB3 ARG 11 -7.742 -2.929 -1.171
76 HG2 ARG 11 HG2 ARG 11 -10.695 -2.947 -0.535
77 HG3 ARG 11 HG3 ARG 11 -9.959 -4.156 -1.588
78 HD2 ARG 11 HD2 ARG 11 -8.329 -3.887 0.750
79 HD3 ARG 11 HD3 ARG 11 -9.999 -4.101 1.264
80 HE ARG 11 HE ARG 11 -9.219 -5.961 -0.793
81 HH11 ARG 11 HH21 ARG 11 -9.159 -5.232 2.589
82 HH12 ARG 11 HH22 ARG 11 -9.035 -6.886 3.085
83 HH21 ARG 11 HH11 ARG 11 -9.057 -8.135 -0.149
84 HH22 ARG 11 HH12 ARG 11 -8.975 -8.529 1.536
85 H GLU 12 H GLU 12 -9.179 0.814 -1.577
86 HA GLU 12 HA GLU 12 -6.517 1.411 -2.404
87 HB2 GLU 12 HB2 GLU 12 -8.757 2.111 -3.495
88 HB3 GLU 12 HB3 GLU 12 -8.747 3.430 -2.323
89 HG2 GLU 12 HG2 GLU 12 -6.680 4.286 -3.161
90 HG3 GLU 12 HG3 GLU 12 -6.385 2.834 -4.115
91 H ILE 13 H ILE 13 -8.710 3.161 -0.183
92 HA ILE 13 HA ILE 13 -6.983 5.068 0.772
93 HB ILE 13 HB ILE 13 -9.166 3.531 2.175
94 HG12 ILE 13 HG12 ILE 13 -9.096 6.459 1.466
95 HG13 ILE 13 HG13 ILE 13 -9.504 5.258 0.240
96 HG21 ILE 13 HG21 ILE 13 -7.317 5.675 3.205
97 HG22 ILE 13 HG22 ILE 13 -7.854 4.199 4.007
98 HG23 ILE 13 HG23 ILE 13 -8.968 5.553 3.813
99 HD11 ILE 13 HD11 ILE 13 -11.573 5.986 1.241
100 HD12 ILE 13 HD12 ILE 13 -10.930 5.753 2.866
101 HD13 ILE 13 HD13 ILE 13 -11.248 4.357 1.835
102 H ALA 14 H ALA 14 -7.076 1.651 1.549
103 HA ALA 14 HA ALA 14 -5.297 1.799 3.791
104 HB1 ALA 14 HB1 ALA 14 -6.421 -0.185 3.909
105 HB2 ALA 14 HB2 ALA 14 -5.038 -0.756 2.976
106 HB3 ALA 14 HB3 ALA 14 -6.544 -0.341 2.157
107 H CYS 15 H CYS 15 -4.938 1.374 0.324
108 HA CYS 15 HA CYS 15 -2.148 0.678 0.434
109 HB2 CYS 15 HB2 CYS 15 -4.023 1.491 -1.784
110 HB3 CYS 15 HB3 CYS 15 -2.300 1.239 -2.065
111 H THR 16 H THR 16 -3.945 3.577 0.641
112 HA THR 16 HA THR 16 -1.894 5.332 -0.387
113 HB THR 16 HB THR 16 -4.228 6.094 1.372
114 HG1 THR 16 HG1 THR 16 -5.238 6.439 -0.735
115 HG21 THR 16 HG21 THR 16 -3.968 8.247 0.435
116 HG22 THR 16 HG22 THR 16 -2.967 7.643 -0.886
117 HG23 THR 16 HG23 THR 16 -2.316 7.714 0.751
118 H LYS 17 H LYS 17 -3.163 4.504 2.836
119 HA LYS 17 HA LYS 17 -1.521 6.139 4.382
120 HB2 LYS 17 HB2 LYS 17 -3.057 3.648 4.814
121 HB3 LYS 17 HB3 LYS 17 -1.761 3.955 5.970
122 HG2 LYS 17 HG2 LYS 17 -3.843 4.973 6.763
123 HG3 LYS 17 HG3 LYS 17 -2.677 6.232 6.358
124 HD2 LYS 17 HD2 LYS 17 -3.789 6.228 4.019
125 HD3 LYS 17 HD3 LYS 17 -5.108 5.357 4.803
126 HE2 LYS 17 HE2 LYS 17 -4.052 8.104 5.517
127 HE3 LYS 17 HE3 LYS 17 -5.651 7.707 4.886
128 HZ1 LYS 17 HZ1 LYS 17 -4.663 7.568 7.575
129 HZ2 LYS 17 HZ2 LYS 17 -5.426 6.132 7.083
130 HZ3 LYS 17 HZ3 LYS 17 -6.261 7.609 7.010
131 H CYS 18 H CYS 18 -0.746 3.341 2.535
132 HA CYS 18 HA CYS 18 1.645 2.636 3.980
133 HB2 CYS 18 HB2 CYS 18 0.108 1.218 2.342
134 HB3 CYS 18 HB3 CYS 18 1.238 1.833 1.136
135 H ARG 19 H ARG 19 1.031 4.120 0.783
136 HA ARG 19 HA ARG 19 3.761 4.709 0.279
137 HB2 ARG 19 HB2 ARG 19 3.029 5.789 -1.652
138 HB3 ARG 19 HB3 ARG 19 1.754 4.609 -1.370
139 HG2 ARG 19 HG2 ARG 19 0.449 6.484 -1.665
140 HG3 ARG 19 HG3 ARG 19 0.736 6.627 0.067
141 HD2 ARG 19 HD2 ARG 19 1.427 8.731 -0.525
142 HD3 ARG 19 HD3 ARG 19 2.939 7.890 -0.852
143 HE ARG 19 HE ARG 19 2.621 8.377 -3.084
144 HH11 ARG 19 HH21 ARG 19 -0.406 8.407 -1.406
145 HH12 ARG 19 HH22 ARG 19 -1.321 8.923 -2.783
146 HH21 ARG 19 HH11 ARG 19 1.426 9.054 -4.893
147 HH22 ARG 19 HH12 ARG 19 -0.283 9.292 -4.756
148 H ASP 20 H ASP 20 1.179 6.460 1.878
149 HA ASP 20 HA ASP 20 2.495 8.984 1.985
150 HB2 ASP 20 HB2 ASP 20 0.086 7.755 3.139
151 HB3 ASP 20 HB3 ASP 20 0.833 8.982 4.161
152 H ARG 21 H ARG 21 2.500 6.124 4.020
153 HA ARG 21 HA ARG 21 3.862 7.306 6.234
154 HB2 ARG 21 HB2 ARG 21 2.513 5.132 6.218
155 HB3 ARG 21 HB3 ARG 21 3.930 4.385 5.480
156 HG2 ARG 21 HG2 ARG 21 4.670 4.074 7.597
157 HG3 ARG 21 HG3 ARG 21 5.016 5.804 7.593
158 HD2 ARG 21 HD2 ARG 21 2.363 4.596 8.419
159 HD3 ARG 21 HD3 ARG 21 3.625 5.086 9.546
160 HE ARG 21 HE ARG 21 2.737 7.149 7.691
161 HH11 ARG 21 HH21 ARG 21 2.448 5.635 10.790
162 HH12 ARG 21 HH22 ARG 21 1.720 7.011 11.547
163 HH21 ARG 21 HH11 ARG 21 1.781 8.957 8.677
164 HH22 ARG 21 HH12 ARG 21 1.340 8.892 10.352
165 H VAL 22 H VAL 22 4.831 6.205 3.133
166 HA VAL 22 HA VAL 22 7.674 6.368 3.942
167 HB VAL 22 HB VAL 22 6.694 4.874 1.520
168 HG11 VAL 22 HG11 VAL 22 9.175 5.589 2.161
169 HG12 VAL 22 HG12 VAL 22 8.841 4.008 1.454
170 HG13 VAL 22 HG13 VAL 22 9.069 4.165 3.196
171 HG21 VAL 22 HG21 VAL 22 5.732 3.339 2.867
172 HG22 VAL 22 HG22 VAL 22 6.263 4.203 4.310
173 HG23 VAL 22 HG23 VAL 22 7.328 3.021 3.548
174 H ARG 23 H ARG 23 5.223 7.893 2.297
175 HA ARG 23 HA ARG 23 5.174 9.263 0.384
176 HB2 ARG 23 HB2 ARG 23 7.487 10.507 1.871
177 HB3 ARG 23 HB3 ARG 23 6.243 11.318 0.918
178 HG2 ARG 23 HG2 ARG 23 4.533 10.676 2.541
179 HG3 ARG 23 HG3 ARG 23 5.725 9.765 3.471
180 HD2 ARG 23 HD2 ARG 23 5.279 12.030 4.425
181 HD3 ARG 23 HD3 ARG 23 6.964 11.796 3.967
182 HE ARG 23 HE ARG 23 6.696 13.467 2.383
183 HH11 ARG 23 HH21 ARG 23 3.629 12.229 3.396
184 HH12 ARG 23 HH22 ARG 23 2.708 13.402 2.516
185 HH21 ARG 23 HH11 ARG 23 5.497 15.010 1.226
186 HH22 ARG 23 HH12 ARG 23 3.766 14.977 1.286
187 H THR 24 H THR 24 6.333 7.157 -0.662
188 HA THR 24 HA THR 24 8.882 8.082 -1.842
189 HB THR 24 HB THR 24 7.908 5.268 -2.123
190 HG1 THR 24 HG1 THR 24 8.526 4.771 -0.114
191 HG21 THR 24 HG21 THR 24 10.609 6.603 -1.800
192 HG22 THR 24 HG22 THR 24 9.934 5.942 -3.290
193 HG23 THR 24 HG23 THR 24 10.369 4.864 -1.964
194 H ASP 25 H ASP 25 5.591 7.677 -2.458
195 HA ASP 25 HA ASP 25 4.344 7.960 -4.371
196 HB2 ASP 25 HB2 ASP 25 6.196 9.665 -4.856
197 HB3 ASP 25 HB3 ASP 25 6.921 8.419 -5.870
198 H ASP 26 H ASP 26 7.112 5.878 -4.324
199 HA ASP 26 HA ASP 26 6.202 4.292 -6.595
200 HB2 ASP 26 HB2 ASP 26 8.526 3.957 -4.686
201 HB3 ASP 26 HB3 ASP 26 8.192 2.886 -6.045
202 H TYR 27 H TYR 27 6.276 4.167 -3.082
203 HA TYR 27 HA TYR 27 5.652 1.493 -2.643
204 HB2 TYR 27 HB2 TYR 27 5.397 4.003 -1.145
205 HB3 TYR 27 HB3 TYR 27 4.196 2.789 -0.705
206 HD1 TYR 27 HD1 TYR 27 7.865 3.247 -1.262
207 HD2 TYR 27 HD2 TYR 27 4.781 0.979 0.684
208 HE1 TYR 27 HE1 TYR 27 9.587 2.005 0.018
209 HE2 TYR 27 HE2 TYR 27 6.504 -0.264 1.966
210 HH TYR 27 HH TYR 27 8.793 -0.018 2.682
211 H PHE 28 H PHE 28 3.450 4.233 -3.211
212 HA PHE 28 HA PHE 28 1.021 2.930 -2.967
213 HB2 PHE 28 HB2 PHE 28 1.505 5.416 -3.422
214 HB3 PHE 28 HB3 PHE 28 1.546 4.962 -5.127
215 HD1 PHE 28 HD2 PHE 28 -0.557 4.560 -2.059
216 HD2 PHE 28 HD1 PHE 28 -0.450 4.861 -6.340
217 HE1 PHE 28 HE2 PHE 28 -3.029 4.563 -2.119
218 HE2 PHE 28 HE1 PHE 28 -2.926 4.864 -6.401
219 HZ PHE 28 HZ PHE 28 -4.221 4.716 -4.291
220 H TYR 29 H TYR 29 2.704 3.558 -6.054
221 HA TYR 29 HA TYR 29 1.137 1.967 -7.689
222 HB2 TYR 29 HB2 TYR 29 3.808 3.145 -7.815
223 HB3 TYR 29 HB3 TYR 29 3.693 1.632 -8.715
224 HD1 TYR 29 HD2 TYR 29 2.107 1.387 -10.581
225 HD2 TYR 29 HD1 TYR 29 2.515 5.099 -8.459
226 HE1 TYR 29 HE2 TYR 29 0.889 2.558 -12.397
227 HE2 TYR 29 HE1 TYR 29 1.297 6.271 -10.274
228 HH TYR 29 HH TYR 29 0.213 6.056 -12.193
229 H GLU 30 H GLU 30 3.269 1.021 -5.193
230 HA GLU 30 HA GLU 30 3.863 -1.615 -6.180
231 HB2 GLU 30 HB2 GLU 30 5.029 -0.098 -4.307
232 HB3 GLU 30 HB3 GLU 30 3.955 -1.032 -3.265
233 HG2 GLU 30 HG2 GLU 30 4.874 -3.112 -4.047
234 HG3 GLU 30 HG3 GLU 30 5.773 -2.299 -5.326
235 H CYS 31 H CYS 31 1.260 -0.123 -4.436
236 HA CYS 31 HA CYS 31 0.203 -2.579 -3.348
237 HB2 CYS 31 HB2 CYS 31 -0.173 0.050 -2.745
238 HB3 CYS 31 HB3 CYS 31 -1.623 -0.285 -3.690
239 H CYS 32 H CYS 32 -0.529 -0.467 -6.102
240 HA CYS 32 HA CYS 32 -2.782 -1.935 -7.022
241 HB2 CYS 32 HB2 CYS 32 -1.385 0.411 -7.775
242 HB3 CYS 32 HB3 CYS 32 -1.409 -0.643 -9.190
243 H THR 33 H THR 33 0.387 -2.850 -6.815
244 HA THR 33 HA THR 33 0.727 -4.196 -9.325
245 HB THR 33 HB THR 33 2.177 -5.036 -6.845
246 HG1 THR 33 HG1 THR 33 3.479 -3.026 -7.854
247 HG21 THR 33 HG21 THR 33 3.581 -4.308 -9.335
248 HG22 THR 33 HG22 THR 33 2.436 -5.638 -9.501
249 HG23 THR 33 HG23 THR 33 3.747 -5.745 -8.327
250 H SER 34 H SER 34 1.725 -6.686 -8.181
251 HA SER 34 HA SER 34 -0.634 -8.254 -8.405
252 HB2 SER 34 HB2 SER 34 1.487 -9.194 -9.072
253 HB3 SER 34 HB3 SER 34 2.158 -8.943 -7.463
254 HG SER 34 HG SER 34 -0.208 -10.400 -7.667
255 H GLU 35 H GLU 35 -1.191 -9.937 -6.695
256 HA GLU 35 HA GLU 35 -2.101 -8.625 -4.365
257 HB2 GLU 35 HB2 GLU 35 -3.147 -10.651 -5.408
258 HB3 GLU 35 HB3 GLU 35 -1.806 -11.607 -4.777
259 HG2 GLU 35 HG2 GLU 35 -2.510 -10.322 -2.518
260 HG3 GLU 35 HG3 GLU 35 -4.076 -10.339 -3.328
261 H SER 36 H SER 36 0.690 -10.697 -4.993
262 HA SER 36 HA SER 36 1.550 -11.270 -2.437
263 HB2 SER 36 HB2 SER 36 3.915 -10.995 -3.531
264 HB3 SER 36 HB3 SER 36 2.827 -12.259 -4.100
265 HG SER 36 HG SER 36 2.628 -9.724 -5.254
266 H THR 37 H THR 37 2.546 -8.424 -4.361
267 HA THR 37 HA THR 37 3.990 -7.165 -2.301
268 HB THR 37 HB THR 37 3.029 -5.099 -3.881
269 HG1 THR 37 HG1 THR 37 3.554 -7.193 -5.650
270 HG21 THR 37 HG21 THR 37 5.400 -6.953 -4.172
271 HG22 THR 37 HG22 THR 37 5.355 -5.376 -3.382
272 HG23 THR 37 HG23 THR 37 5.205 -5.491 -5.136
273 H PHE 38 H PHE 38 0.574 -7.205 -3.054
274 HA PHE 38 HA PHE 38 -0.326 -4.954 -1.699
275 HB2 PHE 38 HB2 PHE 38 -1.540 -6.978 -3.021
276 HB3 PHE 38 HB3 PHE 38 -1.952 -7.402 -1.360
277 HD1 PHE 38 HD1 PHE 38 -2.677 -5.292 0.141
278 HD2 PHE 38 HD2 PHE 38 -2.967 -5.518 -4.140
279 HE1 PHE 38 HE1 PHE 38 -4.417 -3.524 0.165
280 HE2 PHE 38 HE2 PHE 38 -4.705 -3.750 -4.115
281 HZ PHE 38 HZ PHE 38 -5.432 -2.753 -1.963
282 H LYS 39 H LYS 39 0.474 -8.161 -0.411
283 HA LYS 39 HA LYS 39 -0.387 -7.552 2.258
284 HB2 LYS 39 HB2 LYS 39 1.597 -9.699 1.536
285 HB3 LYS 39 HB3 LYS 39 0.408 -9.690 2.839
286 HG2 LYS 39 HG2 LYS 39 -1.416 -9.909 1.283
287 HG3 LYS 39 HG3 LYS 39 -0.344 -9.654 -0.094
288 HD2 LYS 39 HD2 LYS 39 -0.800 -12.038 0.120
289 HD3 LYS 39 HD3 LYS 39 0.888 -11.736 0.535
290 HE2 LYS 39 HE2 LYS 39 -1.134 -11.649 2.737
291 HE3 LYS 39 HE3 LYS 39 -0.667 -13.227 2.103
292 HZ1 LYS 39 HZ1 LYS 39 0.687 -12.216 4.016
293 HZ2 LYS 39 HZ2 LYS 39 1.382 -11.232 2.819
294 HZ3 LYS 39 HZ3 LYS 39 1.523 -12.922 2.721
295 H LYS 40 H LYS 40 2.741 -7.582 0.587
296 HA LYS 40 HA LYS 40 4.503 -7.239 2.657
297 HB2 LYS 40 HB2 LYS 40 4.423 -6.277 -0.159
298 HB3 LYS 40 HB3 LYS 40 5.631 -5.563 0.912
299 HG2 LYS 40 HG2 LYS 40 5.293 -8.540 0.917
300 HG3 LYS 40 HG3 LYS 40 6.167 -7.791 -0.421
301 HD2 LYS 40 HD2 LYS 40 7.767 -6.798 1.070
302 HD3 LYS 40 HD3 LYS 40 6.807 -7.232 2.485
303 HE2 LYS 40 HE2 LYS 40 8.354 -8.954 2.511
304 HE3 LYS 40 HE3 LYS 40 7.101 -9.685 1.508
305 HZ1 LYS 40 HZ1 LYS 40 8.774 -8.123 -0.116
306 HZ2 LYS 40 HZ2 LYS 40 8.530 -9.803 -0.157
307 HZ3 LYS 40 HZ3 LYS 40 9.750 -9.143 0.824
308 H CYS 41 H CYS 41 2.505 -4.723 1.129
309 HA CYS 41 HA CYS 41 3.554 -2.563 2.646
310 HB2 CYS 41 HB2 CYS 41 1.666 -2.899 0.575
311 HB3 CYS 41 HB3 CYS 41 0.814 -2.106 1.900
312 H GLN 42 H GLN 42 0.469 -4.343 2.971
313 HA GLN 42 HA GLN 42 -0.401 -3.109 5.324
314 HB2 GLN 42 HB2 GLN 42 -1.670 -4.722 3.778
315 HB3 GLN 42 HB3 GLN 42 -0.908 -6.015 4.703
316 HG2 GLN 42 HG2 GLN 42 -2.538 -5.786 6.237
317 HG3 GLN 42 HG3 GLN 42 -1.876 -4.198 6.620
318 HE21 GLN 42 HE21 GLN 42 -2.520 -2.843 4.175
319 HE22 GLN 42 HE22 GLN 42 -4.209 -2.730 4.062
320 H THR 43 H THR 43 2.073 -5.470 4.813
321 HA THR 43 HA THR 43 2.143 -6.487 7.498
322 HB THR 43 HB THR 43 4.503 -6.535 5.644
323 HG1 THR 43 HG1 THR 43 2.006 -7.365 5.080
324 HG21 THR 43 HG21 THR 43 4.821 -8.729 6.645
325 HG22 THR 43 HG22 THR 43 3.265 -8.616 7.466
326 HG23 THR 43 HG23 THR 43 4.587 -7.545 7.931
327 H MET 44 H MET 44 3.957 -4.039 5.681
328 HA MET 44 HA MET 44 5.758 -3.389 7.786
329 HB2 MET 44 HB2 MET 44 4.876 -1.946 5.288
330 HB3 MET 44 HB3 MET 44 6.025 -1.237 6.421
331 HG2 MET 44 HG2 MET 44 6.919 -3.876 6.003
332 HG3 MET 44 HG3 MET 44 6.476 -3.267 4.409
333 HE1 MET 44 HE1 MET 44 9.298 -3.208 7.161
334 HE2 MET 44 HE2 MET 44 7.893 -2.302 7.718
335 HE3 MET 44 HE3 MET 44 9.410 -1.461 7.407
336 H LEU 45 H LEU 45 2.557 -2.270 6.875
337 HA LEU 45 HA LEU 45 2.451 0.051 8.475
338 HB2 LEU 45 HB2 LEU 45 0.423 -1.776 7.250
339 HB3 LEU 45 HB3 LEU 45 -0.110 -0.592 8.443
340 HG LEU 45 HG LEU 45 1.667 0.228 6.153
341 HD11 LEU 45 HD11 LEU 45 -1.276 -0.352 6.144
342 HD12 LEU 45 HD12 LEU 45 -0.080 -0.621 4.875
343 HD13 LEU 45 HD13 LEU 45 -0.672 1.009 5.199
344 HD21 LEU 45 HD21 LEU 45 1.162 2.362 6.826
345 HD22 LEU 45 HD22 LEU 45 0.847 1.564 8.367
346 HD23 LEU 45 HD23 LEU 45 -0.489 1.937 7.276
347 H HIS 46 H HIS 46 1.124 -3.201 9.135
348 HA HIS 46 HA HIS 46 0.453 -2.657 11.831
349 HB2 HIS 46 HB2 HIS 46 0.754 -5.125 10.169
350 HB3 HIS 46 HB3 HIS 46 0.641 -5.290 11.921
351 HD1 HIS 46 HD1 HIS 46 -1.357 -4.445 8.902
352 HD2 HIS 46 HD2 HIS 46 -1.853 -4.325 13.039
353 HE1 HIS 46 HE1 HIS 46 -3.831 -4.099 9.316
354 H GLN 47 H GLN 47 3.404 -3.679 10.268
355 HA GLN 47 HA GLN 47 4.685 -4.192 12.864
356 HB2 GLN 47 HB2 GLN 47 4.896 -5.567 10.544
357 HB3 GLN 47 HB3 GLN 47 6.247 -4.447 10.363
358 HG2 GLN 47 HG2 GLN 47 6.740 -5.140 12.869
359 HG3 GLN 47 HG3 GLN 47 5.813 -6.573 12.429
360 HE21 GLN 47 HE21 GLN 47 8.192 -4.591 10.566
361 HE22 GLN 47 HE22 GLN 47 9.190 -5.907 10.175
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 -9.366 4.934 -12.591
2 H2 ALA 1 H2 ALA 1 -9.940 3.773 -11.491
3 H3 ALA 1 H3 ALA 1 -11.034 4.681 -12.420
4 HA ALA 1 HA ALA 1 -10.692 3.484 -14.303
5 HB1 ALA 1 HB1 ALA 1 -8.072 2.374 -13.337
6 HB2 ALA 1 HB2 ALA 1 -8.140 4.010 -13.991
7 HB3 ALA 1 HB3 ALA 1 -8.623 2.640 -14.990
8 H ASP 2 H ASP 2 -10.855 2.688 -11.129
9 HA ASP 2 HA ASP 2 -11.252 0.726 -9.931
10 HB2 ASP 2 HB2 ASP 2 -13.054 0.164 -12.290
11 HB3 ASP 2 HB3 ASP 2 -13.319 -0.247 -10.596
12 H ASP 3 H ASP 3 -8.911 0.214 -10.978
13 HA ASP 3 HA ASP 3 -9.027 -2.167 -12.670
14 HB2 ASP 3 HB2 ASP 3 -7.301 -0.316 -12.949
15 HB3 ASP 3 HB3 ASP 3 -6.570 -0.901 -11.455
16 H LYS 4 H LYS 4 -7.964 -1.219 -9.412
17 HA LYS 4 HA LYS 4 -8.615 -3.819 -8.365
18 HB2 LYS 4 HB2 LYS 4 -5.901 -3.290 -9.250
19 HB3 LYS 4 HB3 LYS 4 -5.957 -3.641 -7.522
20 HG2 LYS 4 HG2 LYS 4 -7.449 -5.352 -9.510
21 HG3 LYS 4 HG3 LYS 4 -5.750 -5.648 -9.141
22 HD2 LYS 4 HD2 LYS 4 -7.251 -5.253 -6.697
23 HD3 LYS 4 HD3 LYS 4 -7.981 -6.535 -7.663
24 HE2 LYS 4 HE2 LYS 4 -6.345 -7.640 -6.349
25 HE3 LYS 4 HE3 LYS 4 -5.587 -7.456 -7.931
26 HZ1 LYS 4 HZ1 LYS 4 -3.944 -6.624 -6.633
27 HZ2 LYS 4 HZ2 LYS 4 -5.003 -6.094 -5.414
28 HZ3 LYS 4 HZ3 LYS 4 -4.830 -5.192 -6.843
29 H CYS 5 H CYS 5 -7.395 -0.586 -8.014
30 HA CYS 5 HA CYS 5 -7.874 -0.736 -5.104
31 HB2 CYS 5 HB2 CYS 5 -6.095 1.121 -6.697
32 HB3 CYS 5 HB3 CYS 5 -6.438 1.317 -4.979
33 H GLU 6 H GLU 6 -8.444 1.140 -8.039
34 HA GLU 6 HA GLU 6 -10.024 3.150 -6.731
35 HB2 GLU 6 HB2 GLU 6 -9.444 2.411 -9.579
36 HB3 GLU 6 HB3 GLU 6 -10.747 3.541 -9.213
37 HG2 GLU 6 HG2 GLU 6 -8.585 4.703 -9.620
38 HG3 GLU 6 HG3 GLU 6 -9.200 4.984 -7.991
39 H ASP 7 H ASP 7 -10.610 -0.058 -7.691
40 HA ASP 7 HA ASP 7 -13.341 0.101 -8.431
41 HB2 ASP 7 HB2 ASP 7 -11.961 -1.879 -8.885
42 HB3 ASP 7 HB3 ASP 7 -11.821 -2.185 -7.155
43 H SER 8 H SER 8 -11.723 -0.405 -5.316
44 HA SER 8 HA SER 8 -14.321 0.092 -3.990
45 HB2 SER 8 HB2 SER 8 -12.379 -1.345 -2.362
46 HB3 SER 8 HB3 SER 8 -14.067 -1.724 -2.693
47 HG SER 8 HG SER 8 -11.739 -2.493 -4.036
48 H LEU 9 H LEU 9 -14.198 2.157 -3.331
49 HA LEU 9 HA LEU 9 -12.052 3.756 -2.827
50 HB2 LEU 9 HB2 LEU 9 -14.618 3.663 -1.224
51 HB3 LEU 9 HB3 LEU 9 -13.485 5.015 -1.260
52 HG LEU 9 HG LEU 9 -14.867 3.887 -3.710
53 HD11 LEU 9 HD11 LEU 9 -16.538 5.450 -3.478
54 HD12 LEU 9 HD12 LEU 9 -15.495 6.595 -2.635
55 HD13 LEU 9 HD13 LEU 9 -16.172 5.216 -1.768
56 HD21 LEU 9 HD21 LEU 9 -14.100 6.285 -4.487
57 HD22 LEU 9 HD22 LEU 9 -12.938 4.959 -4.480
58 HD23 LEU 9 HD23 LEU 9 -12.944 6.133 -3.164
59 H ARG 10 H ARG 10 -13.068 1.033 -0.985
60 HA ARG 10 HA ARG 10 -11.718 1.763 1.456
61 HB2 ARG 10 HB2 ARG 10 -13.671 0.232 1.420
62 HB3 ARG 10 HB3 ARG 10 -12.704 -0.946 0.531
63 HG2 ARG 10 HG2 ARG 10 -11.271 -1.334 2.355
64 HG3 ARG 10 HG3 ARG 10 -11.725 0.174 3.150
65 HD2 ARG 10 HD2 ARG 10 -13.857 -1.863 2.659
66 HD3 ARG 10 HD3 ARG 10 -12.715 -2.154 3.967
67 HE ARG 10 HE ARG 10 -14.865 -0.323 4.042
68 HH11 ARG 10 HH21 ARG 10 -11.505 -0.604 4.819
69 HH12 ARG 10 HH22 ARG 10 -11.568 0.538 6.118
70 HH21 ARG 10 HH11 ARG 10 -14.956 1.176 5.745
71 HH22 ARG 10 HH12 ARG 10 -13.522 1.545 6.644
72 H ARG 11 H ARG 11 -11.111 -0.640 -1.111
73 HA ARG 11 HA ARG 11 -8.595 -1.478 -0.141
74 HB2 ARG 11 HB2 ARG 11 -9.866 -1.561 -2.879
75 HB3 ARG 11 HB3 ARG 11 -8.271 -2.241 -2.555
76 HG2 ARG 11 HG2 ARG 11 -10.279 -3.040 -0.573
77 HG3 ARG 11 HG3 ARG 11 -10.675 -3.571 -2.208
78 HD2 ARG 11 HD2 ARG 11 -8.001 -4.015 -0.854
79 HD3 ARG 11 HD3 ARG 11 -9.275 -5.226 -0.975
80 HE ARG 11 HE ARG 11 -7.575 -4.264 -3.153
81 HH11 ARG 11 HH21 ARG 11 -10.331 -6.065 -2.085
82 HH12 ARG 11 HH22 ARG 11 -10.436 -7.022 -3.526
83 HH21 ARG 11 HH11 ARG 11 -7.709 -5.511 -5.046
84 HH22 ARG 11 HH12 ARG 11 -8.951 -6.708 -5.202
85 H GLU 12 H GLU 12 -9.360 1.539 -0.899
86 HA GLU 12 HA GLU 12 -6.906 2.161 -2.401
87 HB2 GLU 12 HB2 GLU 12 -9.057 3.115 -3.202
88 HB3 GLU 12 HB3 GLU 12 -9.221 3.969 -1.668
89 HG2 GLU 12 HG2 GLU 12 -7.357 5.347 -2.093
90 HG3 GLU 12 HG3 GLU 12 -6.734 4.270 -3.342
91 H ILE 13 H ILE 13 -8.682 3.266 0.494
92 HA ILE 13 HA ILE 13 -6.796 5.024 1.515
93 HB ILE 13 HB ILE 13 -8.412 3.172 3.261
94 HG12 ILE 13 HG12 ILE 13 -9.289 5.414 1.454
95 HG13 ILE 13 HG13 ILE 13 -10.068 3.858 1.749
96 HG21 ILE 13 HG21 ILE 13 -7.969 6.126 3.615
97 HG22 ILE 13 HG22 ILE 13 -6.704 4.987 4.078
98 HG23 ILE 13 HG23 ILE 13 -8.293 4.897 4.838
99 HD11 ILE 13 HD11 ILE 13 -9.931 6.224 3.636
100 HD12 ILE 13 HD12 ILE 13 -10.499 4.626 4.120
101 HD13 ILE 13 HD13 ILE 13 -11.372 5.537 2.888
102 H ALA 14 H ALA 14 -6.998 1.503 1.922
103 HA ALA 14 HA ALA 14 -4.869 1.243 3.762
104 HB1 ALA 14 HB1 ALA 14 -5.202 -0.973 1.855
105 HB2 ALA 14 HB2 ALA 14 -6.695 -0.471 2.649
106 HB3 ALA 14 HB3 ALA 14 -5.307 -0.973 3.616
107 H CYS 15 H CYS 15 -4.947 1.796 0.351
108 HA CYS 15 HA CYS 15 -2.217 0.929 -0.109
109 HB2 CYS 15 HB2 CYS 15 -3.722 0.644 -1.945
110 HB3 CYS 15 HB3 CYS 15 -4.274 2.316 -1.834
111 H THR 16 H THR 16 -3.935 3.865 0.641
112 HA THR 16 HA THR 16 -1.868 5.688 -0.132
113 HB THR 16 HB THR 16 -3.880 6.321 2.000
114 HG1 THR 16 HG1 THR 16 -4.575 5.109 -0.143
115 HG21 THR 16 HG21 THR 16 -2.122 7.934 1.044
116 HG22 THR 16 HG22 THR 16 -3.795 8.494 1.049
117 HG23 THR 16 HG23 THR 16 -3.069 7.899 -0.443
118 H LYS 17 H LYS 17 -2.959 4.439 3.025
119 HA LYS 17 HA LYS 17 -1.164 5.679 4.699
120 HB2 LYS 17 HB2 LYS 17 -2.441 2.961 4.763
121 HB3 LYS 17 HB3 LYS 17 -1.290 3.433 6.014
122 HG2 LYS 17 HG2 LYS 17 -2.629 5.321 6.653
123 HG3 LYS 17 HG3 LYS 17 -3.678 5.128 5.248
124 HD2 LYS 17 HD2 LYS 17 -4.742 3.248 6.130
125 HD3 LYS 17 HD3 LYS 17 -3.393 2.863 7.199
126 HE2 LYS 17 HE2 LYS 17 -3.948 4.604 8.711
127 HE3 LYS 17 HE3 LYS 17 -5.010 5.389 7.543
128 HZ1 LYS 17 HZ1 LYS 17 -6.650 3.830 7.847
129 HZ2 LYS 17 HZ2 LYS 17 -6.015 3.944 9.418
130 HZ3 LYS 17 HZ3 LYS 17 -5.583 2.640 8.418
131 H CYS 18 H CYS 18 -0.536 3.255 2.318
132 HA CYS 18 HA CYS 18 1.964 2.342 3.396
133 HB2 CYS 18 HB2 CYS 18 0.425 1.957 0.884
134 HB3 CYS 18 HB3 CYS 18 2.166 1.691 0.801
135 H ARG 19 H ARG 19 1.144 4.399 0.599
136 HA ARG 19 HA ARG 19 3.853 5.248 0.208
137 HB2 ARG 19 HB2 ARG 19 2.451 5.243 -1.710
138 HB3 ARG 19 HB3 ARG 19 1.200 6.171 -0.891
139 HG2 ARG 19 HG2 ARG 19 3.791 7.537 -0.890
140 HG3 ARG 19 HG3 ARG 19 3.183 7.228 -2.516
141 HD2 ARG 19 HD2 ARG 19 1.319 8.322 -0.436
142 HD3 ARG 19 HD3 ARG 19 2.445 9.409 -1.241
143 HE ARG 19 HE ARG 19 0.241 7.937 -2.519
144 HH11 ARG 19 HH21 ARG 19 2.915 10.132 -2.685
145 HH12 ARG 19 HH22 ARG 19 2.467 10.774 -4.229
146 HH21 ARG 19 HH11 ARG 19 -0.348 8.775 -4.544
147 HH22 ARG 19 HH12 ARG 19 0.623 10.006 -5.282
148 H ASP 20 H ASP 20 1.008 6.590 1.807
149 HA ASP 20 HA ASP 20 1.951 9.191 2.264
150 HB2 ASP 20 HB2 ASP 20 -0.388 8.111 2.721
151 HB3 ASP 20 HB3 ASP 20 0.288 7.764 4.312
152 H ARG 21 H ARG 21 2.913 6.188 3.641
153 HA ARG 21 HA ARG 21 4.055 7.363 6.039
154 HB2 ARG 21 HB2 ARG 21 3.131 4.917 5.641
155 HB3 ARG 21 HB3 ARG 21 4.779 4.626 5.080
156 HG2 ARG 21 HG2 ARG 21 5.712 5.306 7.178
157 HG3 ARG 21 HG3 ARG 21 4.169 5.959 7.728
158 HD2 ARG 21 HD2 ARG 21 3.421 3.414 7.214
159 HD3 ARG 21 HD3 ARG 21 5.110 3.142 7.634
160 HE ARG 21 HE ARG 21 3.021 4.179 9.414
161 HH11 ARG 21 HH21 ARG 21 6.334 3.389 8.801
162 HH12 ARG 21 HH22 ARG 21 6.779 3.357 10.475
163 HH21 ARG 21 HH11 ARG 21 3.597 4.141 11.609
164 HH22 ARG 21 HH12 ARG 21 5.230 3.785 12.064
165 H VAL 22 H VAL 22 5.291 5.822 3.071
166 HA VAL 22 HA VAL 22 8.003 6.689 3.678
167 HB VAL 22 HB VAL 22 7.157 5.455 1.075
168 HG11 VAL 22 HG11 VAL 22 9.611 5.437 2.841
169 HG12 VAL 22 HG12 VAL 22 9.466 6.035 1.189
170 HG13 VAL 22 HG13 VAL 22 9.406 4.302 1.506
171 HG21 VAL 22 HG21 VAL 22 6.874 4.310 3.766
172 HG22 VAL 22 HG22 VAL 22 7.876 3.330 2.696
173 HG23 VAL 22 HG23 VAL 22 6.225 3.737 2.229
174 H ARG 23 H ARG 23 5.289 8.039 2.285
175 HA ARG 23 HA ARG 23 4.906 9.833 0.894
176 HB2 ARG 23 HB2 ARG 23 7.660 10.746 1.728
177 HB3 ARG 23 HB3 ARG 23 6.267 11.739 1.306
178 HG2 ARG 23 HG2 ARG 23 5.449 11.645 3.409
179 HG3 ARG 23 HG3 ARG 23 5.670 9.897 3.493
180 HD2 ARG 23 HD2 ARG 23 7.960 10.126 4.146
181 HD3 ARG 23 HD3 ARG 23 7.967 11.844 3.756
182 HE ARG 23 HE ARG 23 6.774 10.606 6.133
183 HH11 ARG 23 HH21 ARG 23 7.340 13.387 4.153
184 HH12 ARG 23 HH22 ARG 23 6.970 14.526 5.406
185 HH21 ARG 23 HH11 ARG 23 6.291 12.094 7.782
186 HH22 ARG 23 HH12 ARG 23 6.377 13.793 7.460
187 H THR 24 H THR 24 5.830 7.625 -0.519
188 HA THR 24 HA THR 24 7.395 8.957 -2.636
189 HB THR 24 HB THR 24 7.812 6.041 -2.151
190 HG1 THR 24 HG1 THR 24 8.077 7.419 -0.161
191 HG21 THR 24 HG21 THR 24 9.888 8.090 -2.848
192 HG22 THR 24 HG22 THR 24 8.715 7.605 -4.072
193 HG23 THR 24 HG23 THR 24 9.778 6.401 -3.343
194 H ASP 25 H ASP 25 6.085 9.097 -4.332
195 HA ASP 25 HA ASP 25 3.716 7.735 -4.772
196 HB2 ASP 25 HB2 ASP 25 3.842 8.498 -7.056
197 HB3 ASP 25 HB3 ASP 25 4.517 9.756 -6.023
198 H ASP 26 H ASP 26 6.859 6.504 -4.871
199 HA ASP 26 HA ASP 26 6.401 4.451 -6.852
200 HB2 ASP 26 HB2 ASP 26 8.624 5.240 -5.036
201 HB3 ASP 26 HB3 ASP 26 8.583 3.567 -5.593
202 H TYR 27 H TYR 27 5.878 4.842 -3.457
203 HA TYR 27 HA TYR 27 5.806 2.033 -2.827
204 HB2 TYR 27 HB2 TYR 27 5.537 4.557 -1.397
205 HB3 TYR 27 HB3 TYR 27 4.350 3.365 -0.866
206 HD1 TYR 27 HD2 TYR 27 7.999 3.673 -1.680
207 HD2 TYR 27 HD1 TYR 27 4.983 1.726 0.679
208 HE1 TYR 27 HE2 TYR 27 9.763 2.477 -0.410
209 HE2 TYR 27 HE1 TYR 27 6.747 0.530 1.947
210 HH TYR 27 HH TYR 27 10.134 1.315 1.571
211 H PHE 28 H PHE 28 3.343 4.566 -3.274
212 HA PHE 28 HA PHE 28 1.033 3.183 -2.820
213 HB2 PHE 28 HB2 PHE 28 1.435 5.615 -3.679
214 HB3 PHE 28 HB3 PHE 28 1.247 4.892 -5.276
215 HD1 PHE 28 HD1 PHE 28 -0.843 3.492 -5.734
216 HD2 PHE 28 HD2 PHE 28 -0.450 6.085 -2.336
217 HE1 PHE 28 HE1 PHE 28 -3.305 3.487 -5.445
218 HE2 PHE 28 HE2 PHE 28 -2.908 6.079 -2.044
219 HZ PHE 28 HZ PHE 28 -4.340 4.781 -3.599
220 H TYR 29 H TYR 29 2.761 3.312 -5.938
221 HA TYR 29 HA TYR 29 1.115 1.584 -7.378
222 HB2 TYR 29 HB2 TYR 29 3.947 2.470 -7.591
223 HB3 TYR 29 HB3 TYR 29 3.473 1.053 -8.526
224 HD1 TYR 29 HD2 TYR 29 2.001 4.400 -7.638
225 HD2 TYR 29 HD1 TYR 29 2.754 1.473 -10.691
226 HE1 TYR 29 HE2 TYR 29 0.908 5.865 -9.314
227 HE2 TYR 29 HE1 TYR 29 1.661 2.939 -12.367
228 HH TYR 29 HH TYR 29 0.137 4.752 -12.504
229 H GLU 30 H GLU 30 3.719 0.868 -5.117
230 HA GLU 30 HA GLU 30 3.941 -1.904 -5.718
231 HB2 GLU 30 HB2 GLU 30 5.211 -0.062 -4.003
232 HB3 GLU 30 HB3 GLU 30 4.556 -1.323 -2.960
233 HG2 GLU 30 HG2 GLU 30 6.669 -2.165 -3.570
234 HG3 GLU 30 HG3 GLU 30 5.568 -2.981 -4.679
235 H CYS 31 H CYS 31 1.478 -0.130 -4.294
236 HA CYS 31 HA CYS 31 0.574 -2.205 -2.467
237 HB2 CYS 31 HB2 CYS 31 -1.004 -0.675 -1.723
238 HB3 CYS 31 HB3 CYS 31 0.304 0.388 -2.239
239 H CYS 32 H CYS 32 -0.691 -0.672 -5.440
240 HA CYS 32 HA CYS 32 -2.798 -2.622 -5.688
241 HB2 CYS 32 HB2 CYS 32 -2.354 -0.076 -6.687
242 HB3 CYS 32 HB3 CYS 32 -2.178 -1.112 -8.105
243 H THR 33 H THR 33 0.462 -2.794 -6.249
244 HA THR 33 HA THR 33 0.658 -4.090 -8.745
245 HB THR 33 HB THR 33 2.667 -5.236 -7.328
246 HG1 THR 33 HG1 THR 33 2.418 -2.738 -6.095
247 HG21 THR 33 HG21 THR 33 2.333 -2.595 -8.690
248 HG22 THR 33 HG22 THR 33 3.346 -3.967 -9.137
249 HG23 THR 33 HG23 THR 33 3.839 -2.899 -7.823
250 H SER 34 H SER 34 1.798 -6.533 -8.389
251 HA SER 34 HA SER 34 -0.277 -8.326 -8.352
252 HB2 SER 34 HB2 SER 34 1.316 -9.950 -8.509
253 HB3 SER 34 HB3 SER 34 2.384 -8.569 -8.739
254 HG SER 34 HG SER 34 3.110 -8.781 -6.729
255 H GLU 35 H GLU 35 -0.688 -10.097 -6.735
256 HA GLU 35 HA GLU 35 -1.637 -9.014 -4.315
257 HB2 GLU 35 HB2 GLU 35 -1.218 -11.818 -5.319
258 HB3 GLU 35 HB3 GLU 35 -1.762 -11.524 -3.668
259 HG2 GLU 35 HG2 GLU 35 -3.671 -11.839 -5.220
260 HG3 GLU 35 HG3 GLU 35 -3.670 -10.232 -4.497
261 H SER 36 H SER 36 1.053 -11.317 -4.816
262 HA SER 36 HA SER 36 2.076 -11.583 -2.333
263 HB2 SER 36 HB2 SER 36 4.397 -11.155 -3.712
264 HB3 SER 36 HB3 SER 36 3.489 -12.664 -3.732
265 HG SER 36 HG SER 36 3.157 -10.484 -5.528
266 H THR 37 H THR 37 2.476 -8.740 -4.407
267 HA THR 37 HA THR 37 4.181 -7.335 -2.594
268 HB THR 37 HB THR 37 2.891 -5.431 -4.178
269 HG1 THR 37 HG1 THR 37 2.317 -7.773 -5.144
270 HG21 THR 37 HG21 THR 37 5.283 -5.513 -3.780
271 HG22 THR 37 HG22 THR 37 5.004 -5.582 -5.520
272 HG23 THR 37 HG23 THR 37 5.411 -7.051 -4.632
273 H PHE 38 H PHE 38 0.695 -7.437 -3.148
274 HA PHE 38 HA PHE 38 -0.101 -5.235 -1.638
275 HB2 PHE 38 HB2 PHE 38 -1.423 -7.153 -3.017
276 HB3 PHE 38 HB3 PHE 38 -1.760 -7.672 -1.366
277 HD1 PHE 38 HD1 PHE 38 -2.511 -5.791 0.303
278 HD2 PHE 38 HD2 PHE 38 -2.718 -5.450 -3.974
279 HE1 PHE 38 HE1 PHE 38 -4.199 -3.988 0.528
280 HE2 PHE 38 HE2 PHE 38 -4.406 -3.649 -3.748
281 HZ PHE 38 HZ PHE 38 -5.147 -2.917 -1.498
282 H LYS 39 H LYS 39 0.147 -8.628 -0.545
283 HA LYS 39 HA LYS 39 -0.384 -8.205 2.156
284 HB2 LYS 39 HB2 LYS 39 0.063 -10.402 0.740
285 HB3 LYS 39 HB3 LYS 39 1.692 -10.209 1.386
286 HG2 LYS 39 HG2 LYS 39 0.680 -10.022 3.684
287 HG3 LYS 39 HG3 LYS 39 -0.881 -10.430 2.972
288 HD2 LYS 39 HD2 LYS 39 0.051 -12.484 3.795
289 HD3 LYS 39 HD3 LYS 39 0.219 -12.523 2.040
290 HE2 LYS 39 HE2 LYS 39 2.500 -12.351 2.119
291 HE3 LYS 39 HE3 LYS 39 2.473 -11.299 3.533
292 HZ1 LYS 39 HZ1 LYS 39 3.234 -13.188 4.494
293 HZ2 LYS 39 HZ2 LYS 39 2.466 -14.215 3.381
294 HZ3 LYS 39 HZ3 LYS 39 1.573 -13.501 4.638
295 H LYS 40 H LYS 40 2.526 -7.652 0.304
296 HA LYS 40 HA LYS 40 4.393 -7.465 2.402
297 HB2 LYS 40 HB2 LYS 40 4.736 -7.456 -0.183
298 HB3 LYS 40 HB3 LYS 40 4.535 -5.709 -0.032
299 HG2 LYS 40 HG2 LYS 40 6.313 -5.778 1.784
300 HG3 LYS 40 HG3 LYS 40 6.620 -7.448 1.305
301 HD2 LYS 40 HD2 LYS 40 6.569 -5.976 -1.096
302 HD3 LYS 40 HD3 LYS 40 7.506 -5.000 0.035
303 HE2 LYS 40 HE2 LYS 40 8.879 -7.008 0.579
304 HE3 LYS 40 HE3 LYS 40 7.986 -7.917 -0.639
305 HZ1 LYS 40 HZ1 LYS 40 8.724 -6.326 -2.306
306 HZ2 LYS 40 HZ2 LYS 40 10.049 -7.059 -1.536
307 HZ3 LYS 40 HZ3 LYS 40 9.598 -5.472 -1.131
308 H CYS 41 H CYS 41 2.070 -5.166 1.104
309 HA CYS 41 HA CYS 41 3.091 -2.885 2.491
310 HB2 CYS 41 HB2 CYS 41 1.062 -3.414 0.584
311 HB3 CYS 41 HB3 CYS 41 0.282 -2.644 1.965
312 H GLN 42 H GLN 42 0.506 -5.228 3.148
313 HA GLN 42 HA GLN 42 -0.558 -4.031 5.446
314 HB2 GLN 42 HB2 GLN 42 -1.360 -6.106 4.087
315 HB3 GLN 42 HB3 GLN 42 -0.324 -7.013 5.190
316 HG2 GLN 42 HG2 GLN 42 -1.534 -6.237 7.108
317 HG3 GLN 42 HG3 GLN 42 -2.413 -5.047 6.150
318 HE21 GLN 42 HE21 GLN 42 -2.959 -7.887 7.665
319 HE22 GLN 42 HE22 GLN 42 -4.101 -8.580 6.617
320 H THR 43 H THR 43 2.295 -6.025 4.985
321 HA THR 43 HA THR 43 2.804 -6.623 7.704
322 HB THR 43 HB THR 43 5.106 -6.223 5.870
323 HG1 THR 43 HG1 THR 43 3.695 -8.529 5.411
324 HG21 THR 43 HG21 THR 43 4.798 -7.449 8.244
325 HG22 THR 43 HG22 THR 43 5.976 -7.987 7.049
326 HG23 THR 43 HG23 THR 43 4.418 -8.803 7.180
327 H MET 44 H MET 44 3.541 -3.850 5.679
328 HA MET 44 HA MET 44 5.242 -2.613 7.677
329 HB2 MET 44 HB2 MET 44 5.077 -2.362 4.967
330 HB3 MET 44 HB3 MET 44 4.171 -0.944 5.493
331 HG2 MET 44 HG2 MET 44 6.129 -0.488 7.093
332 HG3 MET 44 HG3 MET 44 7.025 -1.681 6.153
333 HE1 MET 44 HE1 MET 44 8.261 1.353 6.204
334 HE2 MET 44 HE2 MET 44 8.815 1.079 4.554
335 HE3 MET 44 HE3 MET 44 8.755 -0.266 5.690
336 H LEU 45 H LEU 45 1.919 -2.900 7.134
337 HA LEU 45 HA LEU 45 1.139 -0.321 8.184
338 HB2 LEU 45 HB2 LEU 45 -0.368 -2.850 7.517
339 HB3 LEU 45 HB3 LEU 45 -1.150 -1.456 8.263
340 HG LEU 45 HG LEU 45 0.438 -1.331 5.685
341 HD11 LEU 45 HD11 LEU 45 -2.341 -0.795 5.313
342 HD12 LEU 45 HD12 LEU 45 -2.204 -2.329 6.172
343 HD13 LEU 45 HD13 LEU 45 -1.387 -2.109 4.624
344 HD21 LEU 45 HD21 LEU 45 -1.339 0.796 5.824
345 HD22 LEU 45 HD22 LEU 45 0.384 0.878 6.191
346 HD23 LEU 45 HD23 LEU 45 -0.784 0.630 7.490
347 H HIS 46 H HIS 46 2.129 -3.318 9.488
348 HA HIS 46 HA HIS 46 1.002 -2.596 12.126
349 HB2 HIS 46 HB2 HIS 46 0.120 -4.717 11.527
350 HB3 HIS 46 HB3 HIS 46 1.678 -5.277 10.916
351 HD1 HIS 46 HD1 HIS 46 2.163 -7.168 12.528
352 HD2 HIS 46 HD2 HIS 46 1.147 -3.635 14.493
353 HE1 HIS 46 HE1 HIS 46 2.586 -7.572 14.992
354 H GLN 47 H GLN 47 3.760 -4.450 10.808
355 HA GLN 47 HA GLN 47 5.994 -4.425 11.341
356 HB2 GLN 47 HB2 GLN 47 5.133 -1.730 11.609
357 HB3 GLN 47 HB3 GLN 47 6.185 -2.083 12.978
358 HG2 GLN 47 HG2 GLN 47 7.969 -2.792 11.533
359 HG3 GLN 47 HG3 GLN 47 6.913 -2.766 10.123
360 HE21 GLN 47 HE21 GLN 47 7.948 -0.471 12.721
361 HE22 GLN 47 HE22 GLN 47 8.117 0.853 11.672
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 -17.478 -1.540 -11.364
2 H2 ALA 1 H2 ALA 1 -16.671 -0.546 -10.246
3 H3 ALA 1 H3 ALA 1 -16.108 -2.120 -10.550
4 HA ALA 1 HA ALA 1 -15.928 -1.257 -12.990
5 HB1 ALA 1 HB1 ALA 1 -16.045 1.192 -11.246
6 HB2 ALA 1 HB2 ALA 1 -16.795 0.915 -12.817
7 HB3 ALA 1 HB3 ALA 1 -15.057 1.193 -12.706
8 H ASP 2 H ASP 2 -14.456 -0.196 -9.913
9 HA ASP 2 HA ASP 2 -12.225 -0.154 -9.268
10 HB2 ASP 2 HB2 ASP 2 -11.417 -2.730 -10.037
11 HB3 ASP 2 HB3 ASP 2 -12.123 -2.256 -8.495
12 H ASP 3 H ASP 3 -12.228 1.268 -11.471
13 HA ASP 3 HA ASP 3 -10.840 0.321 -13.720
14 HB2 ASP 3 HB2 ASP 3 -11.426 2.981 -12.538
15 HB3 ASP 3 HB3 ASP 3 -10.094 2.905 -13.690
16 H LYS 4 H LYS 4 -9.779 0.175 -10.684
17 HA LYS 4 HA LYS 4 -7.648 -0.527 -10.014
18 HB2 LYS 4 HB2 LYS 4 -7.149 -0.495 -12.609
19 HB3 LYS 4 HB3 LYS 4 -6.317 1.008 -12.207
20 HG2 LYS 4 HG2 LYS 4 -5.137 -0.290 -10.358
21 HG3 LYS 4 HG3 LYS 4 -5.787 -1.755 -11.095
22 HD2 LYS 4 HD2 LYS 4 -4.456 -1.571 -12.971
23 HD3 LYS 4 HD3 LYS 4 -4.388 0.189 -12.879
24 HE2 LYS 4 HE2 LYS 4 -2.603 0.183 -11.449
25 HE3 LYS 4 HE3 LYS 4 -3.140 -1.279 -10.621
26 HZ1 LYS 4 HZ1 LYS 4 -1.538 -0.998 -13.052
27 HZ2 LYS 4 HZ2 LYS 4 -2.583 -2.332 -12.943
28 HZ3 LYS 4 HZ3 LYS 4 -1.375 -2.097 -11.772
29 H CYS 5 H CYS 5 -7.770 0.690 -8.191
30 HA CYS 5 HA CYS 5 -7.384 2.420 -6.736
31 HB2 CYS 5 HB2 CYS 5 -5.407 3.804 -8.392
32 HB3 CYS 5 HB3 CYS 5 -5.230 3.087 -6.792
33 H GLU 6 H GLU 6 -8.732 2.849 -9.677
34 HA GLU 6 HA GLU 6 -9.060 5.765 -9.381
35 HB2 GLU 6 HB2 GLU 6 -9.232 3.868 -11.678
36 HB3 GLU 6 HB3 GLU 6 -10.243 5.312 -11.715
37 HG2 GLU 6 HG2 GLU 6 -8.178 6.670 -11.212
38 HG3 GLU 6 HG3 GLU 6 -7.231 5.201 -11.433
39 H ASP 7 H ASP 7 -10.688 2.717 -9.157
40 HA ASP 7 HA ASP 7 -13.142 4.127 -8.339
41 HB2 ASP 7 HB2 ASP 7 -13.108 3.072 -10.776
42 HB3 ASP 7 HB3 ASP 7 -13.431 1.588 -9.880
43 H SER 8 H SER 8 -10.878 2.721 -6.975
44 HA SER 8 HA SER 8 -12.463 0.640 -5.590
45 HB2 SER 8 HB2 SER 8 -10.332 -0.453 -5.043
46 HB3 SER 8 HB3 SER 8 -10.532 -0.304 -6.787
47 HG SER 8 HG SER 8 -8.466 0.424 -5.579
48 H LEU 9 H LEU 9 -12.918 1.041 -3.519
49 HA LEU 9 HA LEU 9 -11.580 3.295 -2.195
50 HB2 LEU 9 HB2 LEU 9 -14.140 1.792 -1.657
51 HB3 LEU 9 HB3 LEU 9 -13.450 2.918 -0.487
52 HG LEU 9 HG LEU 9 -13.650 3.909 -3.277
53 HD11 LEU 9 HD11 LEU 9 -16.059 3.363 -1.522
54 HD12 LEU 9 HD12 LEU 9 -15.791 2.818 -3.178
55 HD13 LEU 9 HD13 LEU 9 -16.076 4.527 -2.849
56 HD21 LEU 9 HD21 LEU 9 -12.823 5.240 -1.318
57 HD22 LEU 9 HD22 LEU 9 -14.426 5.106 -0.598
58 HD23 LEU 9 HD23 LEU 9 -14.211 5.977 -2.117
59 H ARG 10 H ARG 10 -12.753 0.064 -1.223
60 HA ARG 10 HA ARG 10 -11.318 -0.174 1.139
61 HB2 ARG 10 HB2 ARG 10 -13.092 -1.745 -0.061
62 HB3 ARG 10 HB3 ARG 10 -11.633 -2.594 -0.576
63 HG2 ARG 10 HG2 ARG 10 -11.079 -2.164 2.065
64 HG3 ARG 10 HG3 ARG 10 -12.830 -2.372 2.116
65 HD2 ARG 10 HD2 ARG 10 -12.358 -4.430 0.559
66 HD3 ARG 10 HD3 ARG 10 -10.723 -4.310 1.202
67 HE ARG 10 HE ARG 10 -11.525 -5.203 3.177
68 HH11 ARG 10 HH21 ARG 10 -14.097 -3.770 1.358
69 HH12 ARG 10 HH22 ARG 10 -15.339 -4.279 2.454
70 HH21 ARG 10 HH11 ARG 10 -13.149 -5.874 4.616
71 HH22 ARG 10 HH12 ARG 10 -14.803 -5.469 4.298
72 H ARG 11 H ARG 11 -10.040 0.224 -1.899
73 HA ARG 11 HA ARG 11 -7.555 -1.218 -1.204
74 HB2 ARG 11 HB2 ARG 11 -8.699 -1.880 -3.337
75 HB3 ARG 11 HB3 ARG 11 -8.417 -0.243 -3.934
76 HG2 ARG 11 HG2 ARG 11 -5.945 -0.630 -3.377
77 HG3 ARG 11 HG3 ARG 11 -6.364 -2.336 -3.201
78 HD2 ARG 11 HD2 ARG 11 -7.536 -1.895 -5.563
79 HD3 ARG 11 HD3 ARG 11 -6.306 -0.637 -5.656
80 HE ARG 11 HE ARG 11 -4.745 -2.309 -5.992
81 HH11 ARG 11 HH21 ARG 11 -7.569 -3.581 -4.445
82 HH12 ARG 11 HH22 ARG 11 -7.020 -5.223 -4.489
83 HH21 ARG 11 HH11 ARG 11 -4.021 -4.461 -6.051
84 HH22 ARG 11 HH12 ARG 11 -5.013 -5.721 -5.398
85 H GLU 12 H GLU 12 -8.964 1.863 -2.039
86 HA GLU 12 HA GLU 12 -6.452 3.212 -2.442
87 HB2 GLU 12 HB2 GLU 12 -8.355 4.134 -3.551
88 HB3 GLU 12 HB3 GLU 12 -9.283 4.188 -2.051
89 HG2 GLU 12 HG2 GLU 12 -8.070 6.000 -1.209
90 HG3 GLU 12 HG3 GLU 12 -6.679 5.675 -2.243
91 H ILE 13 H ILE 13 -8.510 2.487 0.271
92 HA ILE 13 HA ILE 13 -7.354 4.465 2.024
93 HB ILE 13 HB ILE 13 -8.977 2.007 2.719
94 HG12 ILE 13 HG12 ILE 13 -9.966 4.851 2.421
95 HG13 ILE 13 HG13 ILE 13 -10.016 3.698 1.086
96 HG21 ILE 13 HG21 ILE 13 -8.120 4.487 4.209
97 HG22 ILE 13 HG22 ILE 13 -7.974 2.802 4.706
98 HG23 ILE 13 HG23 ILE 13 -9.554 3.583 4.692
99 HD11 ILE 13 HD11 ILE 13 -12.121 3.394 2.054
100 HD12 ILE 13 HD12 ILE 13 -11.511 3.637 3.691
101 HD13 ILE 13 HD13 ILE 13 -11.176 2.129 2.841
102 H ALA 14 H ALA 14 -6.667 1.176 1.113
103 HA ALA 14 HA ALA 14 -4.820 0.799 3.347
104 HB1 ALA 14 HB1 ALA 14 -6.414 -0.965 2.086
105 HB2 ALA 14 HB2 ALA 14 -4.914 -1.433 2.886
106 HB3 ALA 14 HB3 ALA 14 -4.941 -1.178 1.140
107 H CYS 15 H CYS 15 -4.793 1.653 -0.023
108 HA CYS 15 HA CYS 15 -1.937 1.168 -0.311
109 HB2 CYS 15 HB2 CYS 15 -3.979 2.398 -2.175
110 HB3 CYS 15 HB3 CYS 15 -2.285 2.131 -2.587
111 H THR 16 H THR 16 -4.060 3.757 0.551
112 HA THR 16 HA THR 16 -2.177 5.870 -0.038
113 HB THR 16 HB THR 16 -4.778 5.809 1.499
114 HG1 THR 16 HG1 THR 16 -5.574 6.233 -0.382
115 HG21 THR 16 HG21 THR 16 -4.610 8.283 1.482
116 HG22 THR 16 HG22 THR 16 -2.983 8.153 0.816
117 HG23 THR 16 HG23 THR 16 -3.323 7.544 2.436
118 H LYS 17 H LYS 17 -2.840 3.730 2.594
119 HA LYS 17 HA LYS 17 -1.520 5.359 4.596
120 HB2 LYS 17 HB2 LYS 17 -2.777 2.641 4.530
121 HB3 LYS 17 HB3 LYS 17 -1.679 3.051 5.848
122 HG2 LYS 17 HG2 LYS 17 -3.975 4.847 5.048
123 HG3 LYS 17 HG3 LYS 17 -4.158 3.562 6.242
124 HD2 LYS 17 HD2 LYS 17 -1.997 4.672 7.295
125 HD3 LYS 17 HD3 LYS 17 -2.561 6.091 6.411
126 HE2 LYS 17 HE2 LYS 17 -3.743 4.741 8.769
127 HE3 LYS 17 HE3 LYS 17 -3.813 6.438 8.290
128 HZ1 LYS 17 HZ1 LYS 17 -5.496 4.190 7.404
129 HZ2 LYS 17 HZ2 LYS 17 -5.296 5.547 6.399
130 HZ3 LYS 17 HZ3 LYS 17 -5.962 5.726 7.951
131 H CYS 18 H CYS 18 -0.575 3.178 2.153
132 HA CYS 18 HA CYS 18 1.893 2.372 3.486
133 HB2 CYS 18 HB2 CYS 18 0.332 1.462 1.209
134 HB3 CYS 18 HB3 CYS 18 2.044 1.603 0.812
135 H ARG 19 H ARG 19 0.843 4.422 0.794
136 HA ARG 19 HA ARG 19 3.471 5.161 -0.030
137 HB2 ARG 19 HB2 ARG 19 2.423 6.626 -1.529
138 HB3 ARG 19 HB3 ARG 19 1.239 5.333 -1.331
139 HG2 ARG 19 HG2 ARG 19 0.186 6.733 0.510
140 HG3 ARG 19 HG3 ARG 19 1.232 8.056 -0.009
141 HD2 ARG 19 HD2 ARG 19 0.296 7.771 -2.335
142 HD3 ARG 19 HD3 ARG 19 -0.864 6.629 -1.665
143 HE ARG 19 HE ARG 19 -0.850 9.172 -0.297
144 HH11 ARG 19 HH21 ARG 19 -2.029 7.356 -2.997
145 HH12 ARG 19 HH22 ARG 19 -3.458 8.315 -3.195
146 HH21 ARG 19 HH11 ARG 19 -2.721 10.434 -0.551
147 HH22 ARG 19 HH12 ARG 19 -3.849 10.059 -1.810
148 H ASP 20 H ASP 20 1.135 6.497 2.245
149 HA ASP 20 HA ASP 20 2.416 8.983 2.684
150 HB2 ASP 20 HB2 ASP 20 0.089 8.442 3.392
151 HB3 ASP 20 HB3 ASP 20 0.749 7.388 4.641
152 H ARG 21 H ARG 21 3.053 5.762 3.807
153 HA ARG 21 HA ARG 21 4.592 6.394 6.102
154 HB2 ARG 21 HB2 ARG 21 3.696 4.128 5.603
155 HB3 ARG 21 HB3 ARG 21 4.855 3.990 4.279
156 HG2 ARG 21 HG2 ARG 21 5.837 2.902 6.189
157 HG3 ARG 21 HG3 ARG 21 6.689 4.431 5.968
158 HD2 ARG 21 HD2 ARG 21 5.870 5.317 7.902
159 HD3 ARG 21 HD3 ARG 21 4.288 4.577 7.686
160 HE ARG 21 HE ARG 21 6.319 2.646 8.332
161 HH11 ARG 21 HH21 ARG 21 4.164 5.051 9.575
162 HH12 ARG 21 HH22 ARG 21 4.058 4.341 11.151
163 HH21 ARG 21 HH11 ARG 21 6.186 1.709 10.397
164 HH22 ARG 21 HH12 ARG 21 5.203 2.449 11.616
165 H VAL 22 H VAL 22 5.545 5.651 2.749
166 HA VAL 22 HA VAL 22 8.262 6.605 3.330
167 HB VAL 22 HB VAL 22 7.408 5.518 0.671
168 HG11 VAL 22 HG11 VAL 22 9.788 6.412 1.685
169 HG12 VAL 22 HG12 VAL 22 9.648 5.251 0.365
170 HG13 VAL 22 HG13 VAL 22 9.901 4.683 2.016
171 HG21 VAL 22 HG21 VAL 22 6.532 3.750 1.882
172 HG22 VAL 22 HG22 VAL 22 7.564 4.060 3.279
173 HG23 VAL 22 HG23 VAL 22 8.227 3.265 1.851
174 H ARG 23 H ARG 23 5.369 7.840 2.287
175 HA ARG 23 HA ARG 23 4.735 9.698 1.088
176 HB2 ARG 23 HB2 ARG 23 7.515 10.597 1.890
177 HB3 ARG 23 HB3 ARG 23 6.202 11.648 1.358
178 HG2 ARG 23 HG2 ARG 23 4.869 10.457 3.301
179 HG3 ARG 23 HG3 ARG 23 6.485 10.125 3.926
180 HD2 ARG 23 HD2 ARG 23 5.524 12.882 3.123
181 HD3 ARG 23 HD3 ARG 23 5.477 12.272 4.774
182 HE ARG 23 HE ARG 23 7.887 12.957 3.242
183 HH11 ARG 23 HH21 ARG 23 6.379 11.717 6.100
184 HH12 ARG 23 HH22 ARG 23 7.792 11.887 7.087
185 HH21 ARG 23 HH11 ARG 23 9.744 13.182 4.531
186 HH22 ARG 23 HH12 ARG 23 9.698 12.715 6.198
187 H THR 24 H THR 24 6.094 7.515 -0.367
188 HA THR 24 HA THR 24 7.173 9.089 -2.630
189 HB THR 24 HB THR 24 7.795 6.186 -2.083
190 HG1 THR 24 HG1 THR 24 9.890 7.445 -1.486
191 HG21 THR 24 HG21 THR 24 8.280 7.967 -4.237
192 HG22 THR 24 HG22 THR 24 8.914 6.336 -4.024
193 HG23 THR 24 HG23 THR 24 9.824 7.721 -3.421
194 H ASP 25 H ASP 25 5.929 9.084 -4.380
195 HA ASP 25 HA ASP 25 3.503 7.731 -4.621
196 HB2 ASP 25 HB2 ASP 25 3.872 9.634 -6.001
197 HB3 ASP 25 HB3 ASP 25 5.336 8.938 -6.693
198 H ASP 26 H ASP 26 6.753 6.750 -5.484
199 HA ASP 26 HA ASP 26 6.075 4.557 -7.147
200 HB2 ASP 26 HB2 ASP 26 8.411 5.778 -6.413
201 HB3 ASP 26 HB3 ASP 26 8.507 4.261 -5.520
202 H TYR 27 H TYR 27 5.930 5.041 -3.745
203 HA TYR 27 HA TYR 27 5.905 2.185 -3.136
204 HB2 TYR 27 HB2 TYR 27 6.262 4.655 -1.637
205 HB3 TYR 27 HB3 TYR 27 5.105 3.578 -0.856
206 HD1 TYR 27 HD1 TYR 27 8.391 3.329 -2.667
207 HD2 TYR 27 HD2 TYR 27 5.970 2.011 0.629
208 HE1 TYR 27 HE1 TYR 27 10.255 1.902 -1.869
209 HE2 TYR 27 HE2 TYR 27 7.835 0.583 1.426
210 HH TYR 27 HH TYR 27 10.114 0.255 1.223
211 H PHE 28 H PHE 28 3.744 4.392 -4.332
212 HA PHE 28 HA PHE 28 1.410 3.444 -2.879
213 HB2 PHE 28 HB2 PHE 28 1.385 5.764 -3.471
214 HB3 PHE 28 HB3 PHE 28 1.801 5.402 -5.147
215 HD1 PHE 28 HD2 PHE 28 -0.779 4.502 -2.582
216 HD2 PHE 28 HD1 PHE 28 0.088 5.294 -6.711
217 HE1 PHE 28 HE2 PHE 28 -3.180 4.260 -3.132
218 HE2 PHE 28 HE1 PHE 28 -2.311 5.049 -7.262
219 HZ PHE 28 HZ PHE 28 -3.953 4.532 -5.474
220 H TYR 29 H TYR 29 2.448 3.546 -6.294
221 HA TYR 29 HA TYR 29 0.491 1.925 -7.390
222 HB2 TYR 29 HB2 TYR 29 2.412 3.208 -8.545
223 HB3 TYR 29 HB3 TYR 29 3.365 1.749 -8.272
224 HD1 TYR 29 HD2 TYR 29 2.225 -0.511 -8.991
225 HD2 TYR 29 HD1 TYR 29 1.080 3.359 -10.462
226 HE1 TYR 29 HE2 TYR 29 1.167 -1.576 -10.965
227 HE2 TYR 29 HE1 TYR 29 0.021 2.294 -12.437
228 HH TYR 29 HH TYR 29 0.447 -1.085 -13.150
229 H GLU 30 H GLU 30 3.421 1.022 -5.653
230 HA GLU 30 HA GLU 30 3.562 -1.691 -6.219
231 HB2 GLU 30 HB2 GLU 30 4.103 -0.298 -3.584
232 HB3 GLU 30 HB3 GLU 30 4.645 -1.923 -4.005
233 HG2 GLU 30 HG2 GLU 30 5.303 0.183 -5.979
234 HG3 GLU 30 HG3 GLU 30 6.133 0.314 -4.430
235 H CYS 31 H CYS 31 1.453 0.031 -3.976
236 HA CYS 31 HA CYS 31 0.376 -2.296 -2.722
237 HB2 CYS 31 HB2 CYS 31 0.238 -0.116 -1.641
238 HB3 CYS 31 HB3 CYS 31 -0.738 0.508 -2.971
239 H CYS 32 H CYS 32 -0.773 -0.190 -5.352
240 HA CYS 32 HA CYS 32 -3.171 -1.674 -5.805
241 HB2 CYS 32 HB2 CYS 32 -1.997 0.730 -6.766
242 HB3 CYS 32 HB3 CYS 32 -2.364 -0.278 -8.165
243 H THR 33 H THR 33 -0.170 -2.763 -6.092
244 HA THR 33 HA THR 33 -0.291 -3.921 -8.750
245 HB THR 33 HB THR 33 1.637 -4.977 -6.762
246 HG1 THR 33 HG1 THR 33 2.705 -2.763 -7.552
247 HG21 THR 33 HG21 THR 33 2.974 -5.193 -8.618
248 HG22 THR 33 HG22 THR 33 2.384 -3.697 -9.345
249 HG23 THR 33 HG23 THR 33 1.408 -5.164 -9.429
250 H SER 34 H SER 34 0.792 -6.472 -8.135
251 HA SER 34 HA SER 34 -1.411 -8.100 -8.057
252 HB2 SER 34 HB2 SER 34 0.791 -9.338 -6.624
253 HB3 SER 34 HB3 SER 34 0.119 -9.736 -8.202
254 HG SER 34 HG SER 34 1.998 -7.697 -7.579
255 H GLU 35 H GLU 35 -1.590 -9.878 -6.171
256 HA GLU 35 HA GLU 35 -2.547 -8.378 -3.862
257 HB2 GLU 35 HB2 GLU 35 -3.627 -10.464 -5.169
258 HB3 GLU 35 HB3 GLU 35 -2.723 -11.344 -3.935
259 HG2 GLU 35 HG2 GLU 35 -3.793 -9.521 -2.330
260 HG3 GLU 35 HG3 GLU 35 -5.000 -9.427 -3.613
261 H SER 36 H SER 36 0.257 -10.017 -4.784
262 HA SER 36 HA SER 36 0.993 -11.059 -2.199
263 HB2 SER 36 HB2 SER 36 1.828 -11.893 -4.468
264 HB3 SER 36 HB3 SER 36 2.866 -10.470 -4.491
265 HG SER 36 HG SER 36 3.838 -12.375 -3.559
266 H THR 37 H THR 37 2.437 -8.480 -4.213
267 HA THR 37 HA THR 37 4.046 -7.356 -2.240
268 HB THR 37 HB THR 37 2.733 -5.538 -4.209
269 HG1 THR 37 HG1 THR 37 3.436 -7.898 -4.935
270 HG21 THR 37 HG21 THR 37 4.639 -4.898 -2.675
271 HG22 THR 37 HG22 THR 37 4.964 -4.654 -4.392
272 HG23 THR 37 HG23 THR 37 5.643 -6.050 -3.556
273 H PHE 38 H PHE 38 0.647 -7.352 -2.522
274 HA PHE 38 HA PHE 38 -0.001 -4.912 -1.247
275 HB2 PHE 38 HB2 PHE 38 -1.451 -6.897 -2.409
276 HB3 PHE 38 HB3 PHE 38 -1.753 -7.229 -0.702
277 HD1 PHE 38 HD1 PHE 38 -2.653 -5.403 0.779
278 HD2 PHE 38 HD2 PHE 38 -2.405 -4.992 -3.490
279 HE1 PHE 38 HE1 PHE 38 -4.252 -3.509 0.869
280 HE2 PHE 38 HE2 PHE 38 -4.004 -3.099 -3.400
281 HZ PHE 38 HZ PHE 38 -4.928 -2.357 -1.221
282 H LYS 39 H LYS 39 0.462 -8.203 0.036
283 HA LYS 39 HA LYS 39 -0.026 -7.550 2.746
284 HB2 LYS 39 HB2 LYS 39 0.736 -9.860 1.250
285 HB3 LYS 39 HB3 LYS 39 1.871 -9.678 2.588
286 HG2 LYS 39 HG2 LYS 39 0.041 -10.972 3.436
287 HG3 LYS 39 HG3 LYS 39 -0.150 -9.350 4.102
288 HD2 LYS 39 HD2 LYS 39 -1.631 -8.903 2.015
289 HD3 LYS 39 HD3 LYS 39 -1.696 -10.660 1.871
290 HE2 LYS 39 HE2 LYS 39 -2.187 -10.232 4.566
291 HE3 LYS 39 HE3 LYS 39 -3.043 -8.903 3.786
292 HZ1 LYS 39 HZ1 LYS 39 -4.617 -10.322 3.207
293 HZ2 LYS 39 HZ2 LYS 39 -3.764 -11.614 3.909
294 HZ3 LYS 39 HZ3 LYS 39 -3.502 -11.202 2.281
295 H LYS 40 H LYS 40 3.081 -8.099 1.057
296 HA LYS 40 HA LYS 40 4.889 -7.509 2.988
297 HB2 LYS 40 HB2 LYS 40 5.163 -7.868 0.378
298 HB3 LYS 40 HB3 LYS 40 5.261 -6.106 0.374
299 HG2 LYS 40 HG2 LYS 40 7.088 -6.173 2.003
300 HG3 LYS 40 HG3 LYS 40 6.963 -7.930 2.098
301 HD2 LYS 40 HD2 LYS 40 7.221 -7.587 -0.594
302 HD3 LYS 40 HD3 LYS 40 8.187 -6.237 0.003
303 HE2 LYS 40 HE2 LYS 40 9.696 -8.079 -0.150
304 HE3 LYS 40 HE3 LYS 40 9.313 -7.923 1.565
305 HZ1 LYS 40 HZ1 LYS 40 7.590 -9.640 -0.048
306 HZ2 LYS 40 HZ2 LYS 40 8.089 -9.811 1.567
307 HZ3 LYS 40 HZ3 LYS 40 9.147 -10.217 0.300
308 H CYS 41 H CYS 41 2.522 -5.384 1.687
309 HA CYS 41 HA CYS 41 3.815 -2.995 2.789
310 HB2 CYS 41 HB2 CYS 41 2.313 -3.351 0.536
311 HB3 CYS 41 HB3 CYS 41 1.098 -2.763 1.671
312 H GLN 42 H GLN 42 0.723 -4.750 3.054
313 HA GLN 42 HA GLN 42 -0.294 -3.246 5.220
314 HB2 GLN 42 HB2 GLN 42 -0.879 -6.068 4.301
315 HB3 GLN 42 HB3 GLN 42 -1.796 -5.231 5.554
316 HG2 GLN 42 HG2 GLN 42 -1.397 -3.772 2.991
317 HG3 GLN 42 HG3 GLN 42 -2.498 -5.148 2.957
318 HE21 GLN 42 HE21 GLN 42 -4.534 -4.112 2.965
319 HE22 GLN 42 HE22 GLN 42 -5.031 -3.023 4.168
320 H THR 43 H THR 43 1.837 -6.028 5.037
321 HA THR 43 HA THR 43 1.709 -6.801 7.759
322 HB THR 43 HB THR 43 4.124 -7.110 5.974
323 HG1 THR 43 HG1 THR 43 2.880 -8.204 4.712
324 HG21 THR 43 HG21 THR 43 4.847 -8.392 7.668
325 HG22 THR 43 HG22 THR 43 3.423 -9.418 7.497
326 HG23 THR 43 HG23 THR 43 3.381 -8.026 8.578
327 H MET 44 H MET 44 3.323 -4.217 6.112
328 HA MET 44 HA MET 44 5.161 -3.701 8.316
329 HB2 MET 44 HB2 MET 44 4.797 -2.715 5.549
330 HB3 MET 44 HB3 MET 44 5.405 -1.535 6.710
331 HG2 MET 44 HG2 MET 44 7.353 -2.725 7.111
332 HG3 MET 44 HG3 MET 44 6.616 -4.273 6.697
333 HE1 MET 44 HE1 MET 44 7.303 -0.780 5.393
334 HE2 MET 44 HE2 MET 44 5.932 -1.180 4.361
335 HE3 MET 44 HE3 MET 44 7.528 -0.962 3.648
336 H LEU 45 H LEU 45 1.974 -2.907 7.438
337 HA LEU 45 HA LEU 45 1.873 -0.299 8.651
338 HB2 LEU 45 HB2 LEU 45 -0.007 -2.142 7.326
339 HB3 LEU 45 HB3 LEU 45 -0.720 -1.147 8.597
340 HG LEU 45 HG LEU 45 0.983 -0.065 6.333
341 HD11 LEU 45 HD11 LEU 45 -1.273 -1.040 5.665
342 HD12 LEU 45 HD12 LEU 45 -1.051 0.670 5.295
343 HD13 LEU 45 HD13 LEU 45 -2.014 0.187 6.692
344 HD21 LEU 45 HD21 LEU 45 -0.662 1.919 7.451
345 HD22 LEU 45 HD22 LEU 45 1.080 1.750 7.673
346 HD23 LEU 45 HD23 LEU 45 -0.031 1.023 8.833
347 H HIS 46 H HIS 46 1.179 -3.606 9.663
348 HA HIS 46 HA HIS 46 1.477 -2.930 12.429
349 HB2 HIS 46 HB2 HIS 46 -0.806 -2.075 12.084
350 HB3 HIS 46 HB3 HIS 46 -1.304 -3.652 11.472
351 HD1 HIS 46 HD1 HIS 46 1.060 -4.308 14.059
352 HD2 HIS 46 HD2 HIS 46 -2.971 -3.244 14.033
353 HE1 HIS 46 HE1 HIS 46 0.139 -4.932 16.334
354 H GLN 47 H GLN 47 2.926 -4.705 11.133
355 HA GLN 47 HA GLN 47 3.598 -6.900 11.043
356 HB2 GLN 47 HB2 GLN 47 2.820 -6.399 13.600
357 HB3 GLN 47 HB3 GLN 47 1.771 -7.758 13.197
358 HG2 GLN 47 HG2 GLN 47 4.041 -8.731 12.185
359 HG3 GLN 47 HG3 GLN 47 4.750 -7.654 13.386
360 HE21 GLN 47 HE21 GLN 47 1.803 -9.748 13.436
361 HE22 GLN 47 HE22 GLN 47 2.231 -10.551 14.869
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 -17.265 0.922 -11.816
2 H2 ALA 1 H2 ALA 1 -15.586 0.774 -12.033
3 H3 ALA 1 H3 ALA 1 -16.220 2.077 -11.145
4 HA ALA 1 HA ALA 1 -16.581 0.857 -9.289
5 HB1 ALA 1 HB1 ALA 1 -17.518 -1.037 -11.265
6 HB2 ALA 1 HB2 ALA 1 -17.952 -0.909 -9.560
7 HB3 ALA 1 HB3 ALA 1 -16.549 -1.861 -10.043
8 H ASP 2 H ASP 2 -14.899 0.381 -7.972
9 HA ASP 2 HA ASP 2 -12.598 0.272 -7.534
10 HB2 ASP 2 HB2 ASP 2 -12.978 -2.467 -8.736
11 HB3 ASP 2 HB3 ASP 2 -11.953 -2.001 -7.379
12 H ASP 3 H ASP 3 -13.111 1.404 -10.159
13 HA ASP 3 HA ASP 3 -11.952 0.564 -12.385
14 HB2 ASP 3 HB2 ASP 3 -12.300 3.093 -11.240
15 HB3 ASP 3 HB3 ASP 3 -10.599 3.037 -11.695
16 H LYS 4 H LYS 4 -9.807 2.140 -10.010
17 HA LYS 4 HA LYS 4 -7.947 0.038 -9.814
18 HB2 LYS 4 HB2 LYS 4 -7.692 0.715 -12.277
19 HB3 LYS 4 HB3 LYS 4 -6.967 2.204 -11.670
20 HG2 LYS 4 HG2 LYS 4 -5.069 0.892 -11.882
21 HG3 LYS 4 HG3 LYS 4 -5.523 0.509 -10.222
22 HD2 LYS 4 HD2 LYS 4 -5.277 -1.632 -11.069
23 HD3 LYS 4 HD3 LYS 4 -6.987 -1.362 -11.414
24 HE2 LYS 4 HE2 LYS 4 -6.124 -2.154 -13.465
25 HE3 LYS 4 HE3 LYS 4 -6.168 -0.404 -13.679
26 HZ1 LYS 4 HZ1 LYS 4 -4.049 -1.478 -14.360
27 HZ2 LYS 4 HZ2 LYS 4 -3.779 -1.885 -12.732
28 HZ3 LYS 4 HZ3 LYS 4 -3.863 -0.254 -13.202
29 H CYS 5 H CYS 5 -7.784 0.616 -7.691
30 HA CYS 5 HA CYS 5 -7.189 1.828 -5.828
31 HB2 CYS 5 HB2 CYS 5 -5.144 3.389 -7.267
32 HB3 CYS 5 HB3 CYS 5 -4.984 2.342 -5.856
33 H GLU 6 H GLU 6 -8.729 3.201 -8.310
34 HA GLU 6 HA GLU 6 -8.663 5.917 -7.147
35 HB2 GLU 6 HB2 GLU 6 -8.065 5.581 -9.618
36 HB3 GLU 6 HB3 GLU 6 -9.770 5.201 -9.859
37 HG2 GLU 6 HG2 GLU 6 -9.936 7.487 -8.359
38 HG3 GLU 6 HG3 GLU 6 -8.483 7.797 -9.308
39 H ASP 7 H ASP 7 -10.595 3.126 -7.803
40 HA ASP 7 HA ASP 7 -12.961 4.553 -6.743
41 HB2 ASP 7 HB2 ASP 7 -12.953 3.710 -9.226
42 HB3 ASP 7 HB3 ASP 7 -13.232 2.134 -8.489
43 H SER 8 H SER 8 -10.894 1.763 -6.611
44 HA SER 8 HA SER 8 -12.561 0.092 -5.023
45 HB2 SER 8 HB2 SER 8 -9.696 -0.200 -4.540
46 HB3 SER 8 HB3 SER 8 -10.850 -1.362 -5.186
47 HG SER 8 HG SER 8 -10.183 0.800 -6.801
48 H LEU 9 H LEU 9 -13.426 1.577 -3.467
49 HA LEU 9 HA LEU 9 -11.912 3.113 -1.672
50 HB2 LEU 9 HB2 LEU 9 -14.680 2.132 -1.852
51 HB3 LEU 9 HB3 LEU 9 -14.116 2.428 -0.208
52 HG LEU 9 HG LEU 9 -13.294 4.689 -1.004
53 HD11 LEU 9 HD11 LEU 9 -13.360 3.925 -3.454
54 HD12 LEU 9 HD12 LEU 9 -14.006 5.530 -3.116
55 HD13 LEU 9 HD13 LEU 9 -15.103 4.174 -3.371
56 HD21 LEU 9 HD21 LEU 9 -16.210 3.906 -1.030
57 HD22 LEU 9 HD22 LEU 9 -15.717 5.588 -1.235
58 HD23 LEU 9 HD23 LEU 9 -15.304 4.721 0.244
59 H ARG 10 H ARG 10 -11.600 -0.086 -2.070
60 HA ARG 10 HA ARG 10 -11.240 -0.647 0.807
61 HB2 ARG 10 HB2 ARG 10 -11.534 -2.535 -1.541
62 HB3 ARG 10 HB3 ARG 10 -11.224 -3.041 0.121
63 HG2 ARG 10 HG2 ARG 10 -13.319 -2.170 0.878
64 HG3 ARG 10 HG3 ARG 10 -13.582 -1.303 -0.635
65 HD2 ARG 10 HD2 ARG 10 -14.815 -3.577 -0.249
66 HD3 ARG 10 HD3 ARG 10 -14.089 -3.254 -1.820
67 HE ARG 10 HE ARG 10 -12.641 -5.012 -1.419
68 HH11 ARG 10 HH21 ARG 10 -13.946 -3.811 1.553
69 HH12 ARG 10 HH22 ARG 10 -13.206 -5.034 2.531
70 HH21 ARG 10 HH11 ARG 10 -11.669 -6.618 -0.143
71 HH22 ARG 10 HH12 ARG 10 -11.916 -6.623 1.571
72 H ARG 11 H ARG 11 -9.601 -0.262 -2.210
73 HA ARG 11 HA ARG 11 -7.090 -1.227 -0.984
74 HB2 ARG 11 HB2 ARG 11 -7.678 -0.775 -3.920
75 HB3 ARG 11 HB3 ARG 11 -6.225 -1.502 -3.234
76 HG2 ARG 11 HG2 ARG 11 -7.415 -3.423 -2.478
77 HG3 ARG 11 HG3 ARG 11 -8.978 -2.649 -2.743
78 HD2 ARG 11 HD2 ARG 11 -7.393 -2.677 -5.179
79 HD3 ARG 11 HD3 ARG 11 -7.613 -4.305 -4.543
80 HE ARG 11 HE ARG 11 -9.631 -2.667 -5.742
81 HH11 ARG 11 HH21 ARG 11 -9.003 -5.026 -3.290
82 HH12 ARG 11 HH22 ARG 11 -10.615 -5.661 -3.293
83 HH21 ARG 11 HH11 ARG 11 -11.747 -3.492 -5.750
84 HH22 ARG 11 HH12 ARG 11 -12.169 -4.790 -4.685
85 H GLU 12 H GLU 12 -8.832 1.518 -1.715
86 HA GLU 12 HA GLU 12 -6.539 3.206 -2.350
87 HB2 GLU 12 HB2 GLU 12 -8.631 3.699 -3.484
88 HB3 GLU 12 HB3 GLU 12 -9.469 3.847 -1.939
89 HG2 GLU 12 HG2 GLU 12 -7.049 5.534 -2.276
90 HG3 GLU 12 HG3 GLU 12 -8.440 5.970 -3.266
91 H ILE 13 H ILE 13 -8.488 2.268 0.370
92 HA ILE 13 HA ILE 13 -7.650 4.464 2.054
93 HB ILE 13 HB ILE 13 -9.151 1.896 2.570
94 HG12 ILE 13 HG12 ILE 13 -9.949 4.817 2.794
95 HG13 ILE 13 HG13 ILE 13 -10.294 3.795 1.397
96 HG21 ILE 13 HG21 ILE 13 -7.809 3.749 4.445
97 HG22 ILE 13 HG22 ILE 13 -8.333 2.082 4.690
98 HG23 ILE 13 HG23 ILE 13 -9.496 3.402 4.823
99 HD11 ILE 13 HD11 ILE 13 -11.889 2.568 2.515
100 HD12 ILE 13 HD12 ILE 13 -12.043 4.078 3.410
101 HD13 ILE 13 HD13 ILE 13 -11.089 2.753 4.075
102 H ALA 14 H ALA 14 -6.616 1.190 1.375
103 HA ALA 14 HA ALA 14 -4.769 1.118 3.614
104 HB1 ALA 14 HB1 ALA 14 -4.363 -0.870 1.512
105 HB2 ALA 14 HB2 ALA 14 -6.026 -0.820 2.095
106 HB3 ALA 14 HB3 ALA 14 -4.703 -1.099 3.227
107 H CYS 15 H CYS 15 -4.499 1.154 0.054
108 HA CYS 15 HA CYS 15 -1.700 1.341 -0.061
109 HB2 CYS 15 HB2 CYS 15 -3.844 2.258 -1.978
110 HB3 CYS 15 HB3 CYS 15 -2.123 2.351 -2.347
111 H THR 16 H THR 16 -3.997 3.623 0.979
112 HA THR 16 HA THR 16 -2.498 5.986 0.277
113 HB THR 16 HB THR 16 -4.842 5.495 2.118
114 HG1 THR 16 HG1 THR 16 -4.633 7.044 -0.236
115 HG21 THR 16 HG21 THR 16 -4.236 7.400 3.169
116 HG22 THR 16 HG22 THR 16 -4.680 8.223 1.673
117 HG23 THR 16 HG23 THR 16 -3.002 7.764 1.962
118 H LYS 17 H LYS 17 -2.772 3.841 3.041
119 HA LYS 17 HA LYS 17 -1.213 5.526 4.793
120 HB2 LYS 17 HB2 LYS 17 -2.181 2.669 4.990
121 HB3 LYS 17 HB3 LYS 17 -1.227 3.453 6.248
122 HG2 LYS 17 HG2 LYS 17 -2.922 5.145 6.576
123 HG3 LYS 17 HG3 LYS 17 -3.833 4.570 5.179
124 HD2 LYS 17 HD2 LYS 17 -4.126 2.370 6.330
125 HD3 LYS 17 HD3 LYS 17 -3.330 3.045 7.753
126 HE2 LYS 17 HE2 LYS 17 -5.614 4.581 6.598
127 HE3 LYS 17 HE3 LYS 17 -5.992 3.099 7.476
128 HZ1 LYS 17 HZ1 LYS 17 -4.942 5.616 8.455
129 HZ2 LYS 17 HZ2 LYS 17 -4.214 4.227 9.111
130 HZ3 LYS 17 HZ3 LYS 17 -5.892 4.454 9.245
131 H CYS 18 H CYS 18 -0.587 3.066 2.436
132 HA CYS 18 HA CYS 18 2.002 2.304 3.419
133 HB2 CYS 18 HB2 CYS 18 0.396 1.784 0.962
134 HB3 CYS 18 HB3 CYS 18 2.138 1.527 0.878
135 H ARG 19 H ARG 19 0.955 4.235 0.601
136 HA ARG 19 HA ARG 19 3.486 5.076 -0.218
137 HB2 ARG 19 HB2 ARG 19 2.390 6.539 -1.636
138 HB3 ARG 19 HB3 ARG 19 1.095 5.395 -1.282
139 HG2 ARG 19 HG2 ARG 19 0.405 6.919 0.622
140 HG3 ARG 19 HG3 ARG 19 1.552 8.103 -0.007
141 HD2 ARG 19 HD2 ARG 19 0.248 7.546 -2.286
142 HD3 ARG 19 HD3 ARG 19 -1.044 7.184 -1.146
143 HE ARG 19 HE ARG 19 -0.171 9.771 -1.877
144 HH11 ARG 19 HH21 ARG 19 -1.032 7.868 0.882
145 HH12 ARG 19 HH22 ARG 19 -1.597 9.217 1.808
146 HH21 ARG 19 HH11 ARG 19 -0.909 11.545 -0.669
147 HH22 ARG 19 HH12 ARG 19 -1.528 11.300 0.930
148 H ASP 20 H ASP 20 1.291 6.460 2.188
149 HA ASP 20 HA ASP 20 2.686 8.854 2.675
150 HB2 ASP 20 HB2 ASP 20 0.398 7.661 3.661
151 HB3 ASP 20 HB3 ASP 20 1.476 7.664 5.055
152 H ARG 21 H ARG 21 3.212 5.574 3.786
153 HA ARG 21 HA ARG 21 5.028 6.205 5.891
154 HB2 ARG 21 HB2 ARG 21 3.810 4.021 5.632
155 HB3 ARG 21 HB3 ARG 21 4.888 3.645 4.287
156 HG2 ARG 21 HG2 ARG 21 6.336 4.561 6.658
157 HG3 ARG 21 HG3 ARG 21 5.395 3.102 6.963
158 HD2 ARG 21 HD2 ARG 21 7.499 3.522 4.831
159 HD3 ARG 21 HD3 ARG 21 7.544 2.383 6.174
160 HE ARG 21 HE ARG 21 5.296 1.966 4.415
161 HH11 ARG 21 HH21 ARG 21 8.658 1.372 4.980
162 HH12 ARG 21 HH22 ARG 21 8.700 -0.085 4.044
163 HH21 ARG 21 HH11 ARG 21 5.342 0.057 3.186
164 HH22 ARG 21 HH12 ARG 21 6.821 -0.830 3.028
165 H VAL 22 H VAL 22 5.478 5.192 2.509
166 HA VAL 22 HA VAL 22 8.356 5.482 2.678
167 HB VAL 22 HB VAL 22 6.657 5.118 0.203
168 HG11 VAL 22 HG11 VAL 22 8.634 4.496 -0.864
169 HG12 VAL 22 HG12 VAL 22 9.436 4.070 0.648
170 HG13 VAL 22 HG13 VAL 22 9.211 5.766 0.216
171 HG21 VAL 22 HG21 VAL 22 6.029 3.227 1.380
172 HG22 VAL 22 HG22 VAL 22 7.495 3.224 2.361
173 HG23 VAL 22 HG23 VAL 22 7.547 2.647 0.695
174 H ARG 23 H ARG 23 5.625 7.411 1.726
175 HA ARG 23 HA ARG 23 5.449 9.609 1.094
176 HB2 ARG 23 HB2 ARG 23 8.386 9.837 1.762
177 HB3 ARG 23 HB3 ARG 23 7.184 11.127 1.731
178 HG2 ARG 23 HG2 ARG 23 5.938 9.846 3.544
179 HG3 ARG 23 HG3 ARG 23 7.369 8.825 3.684
180 HD2 ARG 23 HD2 ARG 23 7.965 10.404 5.234
181 HD3 ARG 23 HD3 ARG 23 8.559 11.234 3.798
182 HE ARG 23 HE ARG 23 5.817 11.870 4.293
183 HH11 ARG 23 HH21 ARG 23 9.065 12.455 5.331
184 HH12 ARG 23 HH22 ARG 23 8.732 14.042 5.941
185 HH21 ARG 23 HH11 ARG 23 5.371 13.950 5.089
186 HH22 ARG 23 HH12 ARG 23 6.639 14.889 5.804
187 H THR 24 H THR 24 5.938 7.679 -0.903
188 HA THR 24 HA THR 24 7.231 9.385 -2.916
189 HB THR 24 HB THR 24 7.915 6.494 -2.374
190 HG1 THR 24 HG1 THR 24 9.913 7.311 -2.086
191 HG21 THR 24 HG21 THR 24 7.813 6.369 -4.668
192 HG22 THR 24 HG22 THR 24 9.419 7.084 -4.510
193 HG23 THR 24 HG23 THR 24 8.030 8.108 -4.876
194 H ASP 25 H ASP 25 5.769 9.719 -4.450
195 HA ASP 25 HA ASP 25 3.345 8.376 -4.734
196 HB2 ASP 25 HB2 ASP 25 4.223 9.375 -7.287
197 HB3 ASP 25 HB3 ASP 25 2.988 10.023 -6.207
198 H ASP 26 H ASP 26 6.508 7.515 -5.838
199 HA ASP 26 HA ASP 26 5.611 5.654 -7.857
200 HB2 ASP 26 HB2 ASP 26 7.973 6.923 -7.419
201 HB3 ASP 26 HB3 ASP 26 8.321 5.340 -6.725
202 H TYR 27 H TYR 27 5.728 5.628 -4.493
203 HA TYR 27 HA TYR 27 6.137 2.729 -4.298
204 HB2 TYR 27 HB2 TYR 27 7.149 4.452 -2.669
205 HB3 TYR 27 HB3 TYR 27 5.520 4.577 -2.003
206 HD1 TYR 27 HD1 TYR 27 4.424 2.617 -0.965
207 HD2 TYR 27 HD2 TYR 27 8.481 2.451 -2.371
208 HE1 TYR 27 HE1 TYR 27 4.786 0.530 0.325
209 HE2 TYR 27 HE2 TYR 27 8.842 0.364 -1.079
210 HH TYR 27 HH TYR 27 7.410 -0.609 1.277
211 H PHE 28 H PHE 28 3.622 5.048 -4.483
212 HA PHE 28 HA PHE 28 1.607 3.647 -3.042
213 HB2 PHE 28 HB2 PHE 28 1.251 5.964 -3.434
214 HB3 PHE 28 HB3 PHE 28 1.538 5.791 -5.166
215 HD1 PHE 28 HD1 PHE 28 -0.830 5.157 -2.414
216 HD2 PHE 28 HD2 PHE 28 -0.152 4.885 -6.643
217 HE1 PHE 28 HE1 PHE 28 -3.240 4.712 -2.770
218 HE2 PHE 28 HE2 PHE 28 -2.558 4.442 -7.002
219 HZ PHE 28 HZ PHE 28 -4.110 4.354 -5.067
220 H TYR 29 H TYR 29 2.396 3.875 -6.515
221 HA TYR 29 HA TYR 29 0.377 2.162 -7.452
222 HB2 TYR 29 HB2 TYR 29 1.838 3.592 -8.897
223 HB3 TYR 29 HB3 TYR 29 3.163 2.465 -8.602
224 HD1 TYR 29 HD2 TYR 29 -0.312 2.695 -9.936
225 HD2 TYR 29 HD1 TYR 29 3.344 0.444 -9.827
226 HE1 TYR 29 HE2 TYR 29 -1.170 1.217 -11.732
227 HE2 TYR 29 HE1 TYR 29 2.486 -1.036 -11.623
228 HH TYR 29 HH TYR 29 -0.648 -1.285 -12.459
229 H GLU 30 H GLU 30 3.494 1.527 -5.992
230 HA GLU 30 HA GLU 30 3.763 -1.193 -6.672
231 HB2 GLU 30 HB2 GLU 30 5.425 0.470 -5.501
232 HB3 GLU 30 HB3 GLU 30 4.693 -0.153 -4.021
233 HG2 GLU 30 HG2 GLU 30 5.128 -2.459 -5.457
234 HG3 GLU 30 HG3 GLU 30 6.522 -1.478 -5.906
235 H CYS 31 H CYS 31 1.748 0.449 -4.385
236 HA CYS 31 HA CYS 31 1.190 -1.833 -2.729
237 HB2 CYS 31 HB2 CYS 31 0.916 0.397 -1.815
238 HB3 CYS 31 HB3 CYS 31 -0.250 0.807 -3.073
239 H CYS 32 H CYS 32 -0.292 -0.300 -5.534
240 HA CYS 32 HA CYS 32 -2.610 -2.034 -5.483
241 HB2 CYS 32 HB2 CYS 32 -1.873 0.395 -6.778
242 HB3 CYS 32 HB3 CYS 32 -2.291 -0.782 -8.026
243 H THR 33 H THR 33 0.509 -2.665 -6.190
244 HA THR 33 HA THR 33 0.324 -3.997 -8.705
245 HB THR 33 HB THR 33 2.328 -4.984 -6.775
246 HG1 THR 33 HG1 THR 33 1.725 -2.454 -6.730
247 HG21 THR 33 HG21 THR 33 2.139 -5.221 -9.375
248 HG22 THR 33 HG22 THR 33 3.717 -4.916 -8.652
249 HG23 THR 33 HG23 THR 33 2.816 -3.593 -9.392
250 H SER 34 H SER 34 1.633 -6.459 -7.903
251 HA SER 34 HA SER 34 -0.499 -8.224 -7.852
252 HB2 SER 34 HB2 SER 34 1.720 -8.975 -8.445
253 HB3 SER 34 HB3 SER 34 2.325 -8.600 -6.834
254 HG SER 34 HG SER 34 0.160 -10.367 -7.241
255 H GLU 35 H GLU 35 -1.015 -9.822 -6.113
256 HA GLU 35 HA GLU 35 -1.866 -8.433 -3.754
257 HB2 GLU 35 HB2 GLU 35 -1.980 -11.344 -4.566
258 HB3 GLU 35 HB3 GLU 35 -2.672 -10.722 -3.069
259 HG2 GLU 35 HG2 GLU 35 -4.064 -9.147 -4.379
260 HG3 GLU 35 HG3 GLU 35 -3.397 -9.813 -5.868
261 H SER 36 H SER 36 0.678 -10.760 -4.521
262 HA SER 36 HA SER 36 1.500 -11.455 -1.953
263 HB2 SER 36 HB2 SER 36 3.863 -11.433 -3.219
264 HB3 SER 36 HB3 SER 36 2.652 -12.679 -3.504
265 HG SER 36 HG SER 36 3.234 -11.875 -5.481
266 H THR 37 H THR 37 2.141 -8.555 -3.840
267 HA THR 37 HA THR 37 4.013 -7.506 -1.875
268 HB THR 37 HB THR 37 3.191 -5.470 -3.668
269 HG1 THR 37 HG1 THR 37 2.470 -6.650 -5.248
270 HG21 THR 37 HG21 THR 37 5.512 -6.027 -4.650
271 HG22 THR 37 HG22 THR 37 5.596 -7.271 -3.402
272 HG23 THR 37 HG23 THR 37 5.440 -5.575 -2.946
273 H PHE 38 H PHE 38 0.630 -7.335 -2.617
274 HA PHE 38 HA PHE 38 0.033 -4.896 -1.274
275 HB2 PHE 38 HB2 PHE 38 -1.393 -6.368 -2.936
276 HB3 PHE 38 HB3 PHE 38 -1.953 -7.126 -1.446
277 HD1 PHE 38 HD1 PHE 38 -2.604 -5.426 0.492
278 HD2 PHE 38 HD2 PHE 38 -2.501 -4.460 -3.691
279 HE1 PHE 38 HE1 PHE 38 -4.130 -3.513 0.896
280 HE2 PHE 38 HE2 PHE 38 -4.026 -2.548 -3.288
281 HZ PHE 38 HZ PHE 38 -4.841 -2.073 -0.994
282 H LYS 39 H LYS 39 -0.198 -8.310 -0.291
283 HA LYS 39 HA LYS 39 -1.174 -7.905 2.300
284 HB2 LYS 39 HB2 LYS 39 -0.902 -10.103 1.008
285 HB3 LYS 39 HB3 LYS 39 0.770 -10.092 1.570
286 HG2 LYS 39 HG2 LYS 39 0.040 -10.042 3.891
287 HG3 LYS 39 HG3 LYS 39 -1.645 -9.899 3.391
288 HD2 LYS 39 HD2 LYS 39 -1.618 -12.172 3.653
289 HD3 LYS 39 HD3 LYS 39 -0.951 -12.127 2.020
290 HE2 LYS 39 HE2 LYS 39 0.603 -13.465 3.155
291 HE3 LYS 39 HE3 LYS 39 1.349 -11.868 3.235
292 HZ1 LYS 39 HZ1 LYS 39 -0.156 -13.294 5.348
293 HZ2 LYS 39 HZ2 LYS 39 0.137 -11.622 5.422
294 HZ3 LYS 39 HZ3 LYS 39 1.438 -12.714 5.402
295 H LYS 40 H LYS 40 2.179 -8.092 1.125
296 HA LYS 40 HA LYS 40 3.515 -7.950 3.561
297 HB2 LYS 40 HB2 LYS 40 4.263 -7.950 0.914
298 HB3 LYS 40 HB3 LYS 40 4.747 -6.337 1.443
299 HG2 LYS 40 HG2 LYS 40 6.052 -7.254 3.263
300 HG3 LYS 40 HG3 LYS 40 5.443 -8.878 2.940
301 HD2 LYS 40 HD2 LYS 40 7.674 -8.666 1.984
302 HD3 LYS 40 HD3 LYS 40 6.496 -8.774 0.675
303 HE2 LYS 40 HE2 LYS 40 6.633 -6.459 0.205
304 HE3 LYS 40 HE3 LYS 40 7.401 -6.105 1.753
305 HZ1 LYS 40 HZ1 LYS 40 9.049 -6.056 0.045
306 HZ2 LYS 40 HZ2 LYS 40 8.589 -7.589 -0.526
307 HZ3 LYS 40 HZ3 LYS 40 9.323 -7.432 0.999
308 H CYS 41 H CYS 41 2.269 -5.317 1.529
309 HA CYS 41 HA CYS 41 3.277 -3.158 3.007
310 HB2 CYS 41 HB2 CYS 41 1.762 -3.422 0.742
311 HB3 CYS 41 HB3 CYS 41 0.589 -2.762 1.881
312 H GLN 42 H GLN 42 0.596 -5.298 3.604
313 HA GLN 42 HA GLN 42 -0.606 -3.606 5.625
314 HB2 GLN 42 HB2 GLN 42 -1.594 -5.593 4.061
315 HB3 GLN 42 HB3 GLN 42 -1.292 -6.480 5.555
316 HG2 GLN 42 HG2 GLN 42 -2.437 -4.310 6.621
317 HG3 GLN 42 HG3 GLN 42 -3.194 -4.242 5.030
318 HE21 GLN 42 HE21 GLN 42 -5.119 -4.725 6.700
319 HE22 GLN 42 HE22 GLN 42 -5.493 -6.371 6.890
320 H THR 43 H THR 43 1.771 -6.130 5.459
321 HA THR 43 HA THR 43 1.669 -6.914 8.208
322 HB THR 43 HB THR 43 4.163 -7.135 6.559
323 HG1 THR 43 HG1 THR 43 2.144 -7.623 5.334
324 HG21 THR 43 HG21 THR 43 4.409 -9.196 7.741
325 HG22 THR 43 HG22 THR 43 2.729 -9.168 8.277
326 HG23 THR 43 HG23 THR 43 3.884 -8.011 8.937
327 H MET 44 H MET 44 3.348 -4.434 6.385
328 HA MET 44 HA MET 44 5.064 -3.693 8.603
329 HB2 MET 44 HB2 MET 44 4.593 -2.621 5.831
330 HB3 MET 44 HB3 MET 44 5.519 -1.695 7.011
331 HG2 MET 44 HG2 MET 44 6.860 -3.891 7.364
332 HG3 MET 44 HG3 MET 44 6.148 -4.397 5.833
333 HE1 MET 44 HE1 MET 44 8.908 -2.961 7.546
334 HE2 MET 44 HE2 MET 44 8.089 -1.402 7.592
335 HE3 MET 44 HE3 MET 44 9.558 -1.591 6.637
336 H LEU 45 H LEU 45 1.912 -2.936 7.458
337 HA LEU 45 HA LEU 45 1.766 -0.367 8.814
338 HB2 LEU 45 HB2 LEU 45 -0.242 -2.034 7.293
339 HB3 LEU 45 HB3 LEU 45 -0.675 -0.537 8.119
340 HG LEU 45 HG LEU 45 1.534 -0.742 6.056
341 HD11 LEU 45 HD11 LEU 45 -1.402 -0.135 5.825
342 HD12 LEU 45 HD12 LEU 45 -0.382 -1.109 4.765
343 HD13 LEU 45 HD13 LEU 45 -0.258 0.650 4.737
344 HD21 LEU 45 HD21 LEU 45 0.760 1.848 6.118
345 HD22 LEU 45 HD22 LEU 45 2.031 1.210 7.163
346 HD23 LEU 45 HD23 LEU 45 0.390 1.396 7.782
347 H HIS 46 H HIS 46 1.287 -3.669 9.558
348 HA HIS 46 HA HIS 46 -0.437 -3.043 11.859
349 HB2 HIS 46 HB2 HIS 46 -0.758 -5.039 10.161
350 HB3 HIS 46 HB3 HIS 46 0.446 -5.822 11.186
351 HD1 HIS 46 HD1 HIS 46 -2.612 -3.647 11.934
352 HD2 HIS 46 HD2 HIS 46 -0.888 -7.253 13.120
353 HE1 HIS 46 HE1 HIS 46 -4.108 -4.595 13.747
354 H GLN 47 H GLN 47 2.701 -4.451 11.021
355 HA GLN 47 HA GLN 47 3.943 -3.564 13.405
356 HB2 GLN 47 HB2 GLN 47 4.395 -5.960 14.270
357 HB3 GLN 47 HB3 GLN 47 2.838 -5.223 14.647
358 HG2 GLN 47 HG2 GLN 47 1.688 -6.537 13.105
359 HG3 GLN 47 HG3 GLN 47 3.127 -6.831 12.131
360 HE21 GLN 47 HE21 GLN 47 4.854 -7.603 14.376
361 HE22 GLN 47 HE22 GLN 47 4.303 -9.114 14.920
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 -7.092 5.811 -13.866
2 H2 ALA 1 H2 ALA 1 -7.038 4.207 -14.424
3 H3 ALA 1 H3 ALA 1 -7.128 4.528 -12.758
4 HA ALA 1 HA ALA 1 -9.323 5.609 -13.161
5 HB1 ALA 1 HB1 ALA 1 -9.641 4.084 -15.660
6 HB2 ALA 1 HB2 ALA 1 -8.536 5.451 -15.791
7 HB3 ALA 1 HB3 ALA 1 -10.196 5.708 -15.255
8 H ASP 2 H ASP 2 -10.281 4.354 -11.687
9 HA ASP 2 HA ASP 2 -10.903 2.456 -10.517
10 HB2 ASP 2 HB2 ASP 2 -11.687 1.422 -13.240
11 HB3 ASP 2 HB3 ASP 2 -12.479 1.134 -11.692
12 H ASP 3 H ASP 3 -8.134 2.449 -11.506
13 HA ASP 3 HA ASP 3 -7.485 -0.139 -12.508
14 HB2 ASP 3 HB2 ASP 3 -6.035 2.231 -11.542
15 HB3 ASP 3 HB3 ASP 3 -5.209 0.705 -11.233
16 H LYS 4 H LYS 4 -9.198 -0.871 -10.685
17 HA LYS 4 HA LYS 4 -9.480 -2.326 -8.930
18 HB2 LYS 4 HB2 LYS 4 -7.129 -3.094 -9.901
19 HB3 LYS 4 HB3 LYS 4 -6.550 -2.437 -8.370
20 HG2 LYS 4 HG2 LYS 4 -7.927 -3.916 -7.100
21 HG3 LYS 4 HG3 LYS 4 -8.863 -4.382 -8.520
22 HD2 LYS 4 HD2 LYS 4 -6.073 -4.889 -9.020
23 HD3 LYS 4 HD3 LYS 4 -6.537 -5.644 -7.495
24 HE2 LYS 4 HE2 LYS 4 -7.011 -7.263 -9.187
25 HE3 LYS 4 HE3 LYS 4 -8.570 -6.575 -8.731
26 HZ1 LYS 4 HZ1 LYS 4 -8.273 -4.995 -10.620
27 HZ2 LYS 4 HZ2 LYS 4 -8.476 -6.617 -11.081
28 HZ3 LYS 4 HZ3 LYS 4 -6.932 -5.908 -11.110
29 H CYS 5 H CYS 5 -7.584 0.529 -8.656
30 HA CYS 5 HA CYS 5 -7.793 0.578 -5.731
31 HB2 CYS 5 HB2 CYS 5 -6.330 2.240 -7.766
32 HB3 CYS 5 HB3 CYS 5 -6.573 2.838 -6.125
33 H GLU 6 H GLU 6 -8.150 3.247 -8.034
34 HA GLU 6 HA GLU 6 -9.933 4.782 -6.649
35 HB2 GLU 6 HB2 GLU 6 -9.822 4.319 -9.638
36 HB3 GLU 6 HB3 GLU 6 -10.715 5.631 -8.868
37 HG2 GLU 6 HG2 GLU 6 -7.961 5.435 -7.904
38 HG3 GLU 6 HG3 GLU 6 -8.050 5.723 -9.641
39 H ASP 7 H ASP 7 -10.567 1.810 -8.345
40 HA ASP 7 HA ASP 7 -13.366 2.000 -8.612
41 HB2 ASP 7 HB2 ASP 7 -11.668 0.239 -9.537
42 HB3 ASP 7 HB3 ASP 7 -12.002 -0.606 -8.027
43 H SER 8 H SER 8 -11.531 0.151 -6.167
44 HA SER 8 HA SER 8 -13.876 0.169 -4.420
45 HB2 SER 8 HB2 SER 8 -11.489 -1.498 -4.736
46 HB3 SER 8 HB3 SER 8 -11.878 -1.145 -3.055
47 HG SER 8 HG SER 8 -14.118 -1.730 -3.754
48 H LEU 9 H LEU 9 -14.103 2.009 -3.285
49 HA LEU 9 HA LEU 9 -11.999 3.738 -2.531
50 HB2 LEU 9 HB2 LEU 9 -14.885 3.471 -1.916
51 HB3 LEU 9 HB3 LEU 9 -13.918 4.342 -0.726
52 HG LEU 9 HG LEU 9 -13.038 5.805 -2.509
53 HD11 LEU 9 HD11 LEU 9 -14.584 3.878 -4.187
54 HD12 LEU 9 HD12 LEU 9 -13.040 4.666 -4.517
55 HD13 LEU 9 HD13 LEU 9 -14.546 5.564 -4.706
56 HD21 LEU 9 HD21 LEU 9 -16.046 5.544 -2.274
57 HD22 LEU 9 HD22 LEU 9 -15.274 6.888 -3.116
58 HD23 LEU 9 HD23 LEU 9 -14.985 6.644 -1.393
59 H ARG 10 H ARG 10 -12.509 0.678 -1.530
60 HA ARG 10 HA ARG 10 -11.757 1.138 1.275
61 HB2 ARG 10 HB2 ARG 10 -13.622 -0.476 0.564
62 HB3 ARG 10 HB3 ARG 10 -12.328 -1.530 -0.003
63 HG2 ARG 10 HG2 ARG 10 -11.351 -1.626 2.211
64 HG3 ARG 10 HG3 ARG 10 -12.485 -0.415 2.810
65 HD2 ARG 10 HD2 ARG 10 -13.692 -2.806 1.535
66 HD3 ARG 10 HD3 ARG 10 -12.888 -3.081 3.077
67 HE ARG 10 HE ARG 10 -14.511 -1.730 4.125
68 HH11 ARG 10 HH21 ARG 10 -14.815 -1.784 0.679
69 HH12 ARG 10 HH22 ARG 10 -16.391 -1.063 0.668
70 HH21 ARG 10 HH11 ARG 10 -16.577 -0.786 4.119
71 HH22 ARG 10 HH12 ARG 10 -17.388 -0.498 2.615
72 H ARG 11 H ARG 11 -10.572 -0.203 -1.744
73 HA ARG 11 HA ARG 11 -8.162 -1.274 -0.516
74 HB2 ARG 11 HB2 ARG 11 -9.511 -1.472 -3.100
75 HB3 ARG 11 HB3 ARG 11 -7.766 -1.272 -3.258
76 HG2 ARG 11 HG2 ARG 11 -8.208 -3.638 -3.089
77 HG3 ARG 11 HG3 ARG 11 -7.486 -3.125 -1.563
78 HD2 ARG 11 HD2 ARG 11 -9.429 -3.425 -0.383
79 HD3 ARG 11 HD3 ARG 11 -10.450 -2.970 -1.745
80 HE ARG 11 HE ARG 11 -9.395 -5.640 -1.174
81 HH11 ARG 11 HH21 ARG 11 -11.005 -3.462 -3.330
82 HH12 ARG 11 HH22 ARG 11 -11.729 -4.717 -4.278
83 HH21 ARG 11 HH11 ARG 11 -10.339 -7.290 -2.413
84 HH22 ARG 11 HH12 ARG 11 -11.352 -6.886 -3.758
85 H GLU 12 H GLU 12 -9.222 1.740 -1.540
86 HA GLU 12 HA GLU 12 -6.666 2.698 -2.531
87 HB2 GLU 12 HB2 GLU 12 -8.815 3.569 -3.423
88 HB3 GLU 12 HB3 GLU 12 -9.172 4.247 -1.834
89 HG2 GLU 12 HG2 GLU 12 -6.809 5.363 -2.082
90 HG3 GLU 12 HG3 GLU 12 -7.052 5.059 -3.801
91 H ILE 13 H ILE 13 -8.611 2.941 0.410
92 HA ILE 13 HA ILE 13 -7.017 4.876 1.727
93 HB ILE 13 HB ILE 13 -8.516 2.722 3.191
94 HG12 ILE 13 HG12 ILE 13 -10.041 3.316 1.422
95 HG13 ILE 13 HG13 ILE 13 -10.553 4.203 2.858
96 HG21 ILE 13 HG21 ILE 13 -9.114 4.775 4.571
97 HG22 ILE 13 HG22 ILE 13 -7.956 5.670 3.588
98 HG23 ILE 13 HG23 ILE 13 -7.408 4.326 4.589
99 HD11 ILE 13 HD11 ILE 13 -10.545 5.693 0.907
100 HD12 ILE 13 HD12 ILE 13 -8.853 5.306 0.602
101 HD13 ILE 13 HD13 ILE 13 -9.305 6.192 2.058
102 H ALA 14 H ALA 14 -6.799 1.381 1.441
103 HA ALA 14 HA ALA 14 -4.779 1.084 3.465
104 HB1 ALA 14 HB1 ALA 14 -6.447 -0.683 2.442
105 HB2 ALA 14 HB2 ALA 14 -4.839 -1.178 2.973
106 HB3 ALA 14 HB3 ALA 14 -5.157 -0.904 1.259
107 H CYS 15 H CYS 15 -4.807 1.187 -0.084
108 HA CYS 15 HA CYS 15 -2.010 0.829 -0.405
109 HB2 CYS 15 HB2 CYS 15 -4.127 2.027 -2.196
110 HB3 CYS 15 HB3 CYS 15 -2.447 1.832 -2.691
111 H THR 16 H THR 16 -3.950 3.533 0.508
112 HA THR 16 HA THR 16 -2.003 5.541 -0.240
113 HB THR 16 HB THR 16 -4.414 5.752 1.580
114 HG1 THR 16 HG1 THR 16 -5.476 6.396 -0.223
115 HG21 THR 16 HG21 THR 16 -3.066 7.615 2.060
116 HG22 THR 16 HG22 THR 16 -4.138 8.216 0.796
117 HG23 THR 16 HG23 THR 16 -2.486 7.741 0.400
118 H LYS 17 H LYS 17 -3.169 4.109 2.805
119 HA LYS 17 HA LYS 17 -1.485 5.485 4.561
120 HB2 LYS 17 HB2 LYS 17 -2.761 2.757 4.671
121 HB3 LYS 17 HB3 LYS 17 -1.744 3.351 5.984
122 HG2 LYS 17 HG2 LYS 17 -3.183 5.284 6.297
123 HG3 LYS 17 HG3 LYS 17 -4.145 4.841 4.886
124 HD2 LYS 17 HD2 LYS 17 -4.834 2.754 5.996
125 HD3 LYS 17 HD3 LYS 17 -3.855 3.172 7.403
126 HE2 LYS 17 HE2 LYS 17 -5.359 4.717 8.154
127 HE3 LYS 17 HE3 LYS 17 -5.765 5.258 6.526
128 HZ1 LYS 17 HZ1 LYS 17 -7.141 3.429 8.171
129 HZ2 LYS 17 HZ2 LYS 17 -6.644 2.635 6.754
130 HZ3 LYS 17 HZ3 LYS 17 -7.593 4.041 6.655
131 H CYS 18 H CYS 18 -0.787 3.038 2.253
132 HA CYS 18 HA CYS 18 1.646 2.097 3.484
133 HB2 CYS 18 HB2 CYS 18 -0.019 1.209 1.436
134 HB3 CYS 18 HB3 CYS 18 1.467 1.679 0.613
135 H ARG 19 H ARG 19 0.993 3.955 0.499
136 HA ARG 19 HA ARG 19 3.638 4.679 -0.038
137 HB2 ARG 19 HB2 ARG 19 2.777 6.090 -1.649
138 HB3 ARG 19 HB3 ARG 19 1.396 5.023 -1.397
139 HG2 ARG 19 HG2 ARG 19 0.558 6.680 0.325
140 HG3 ARG 19 HG3 ARG 19 1.829 7.776 -0.215
141 HD2 ARG 19 HD2 ARG 19 0.922 7.575 -2.547
142 HD3 ARG 19 HD3 ARG 19 -0.421 6.640 -1.895
143 HE ARG 19 HE ARG 19 -0.323 9.009 -0.434
144 HH11 ARG 19 HH21 ARG 19 -0.743 7.979 -3.710
145 HH12 ARG 19 HH22 ARG 19 -1.754 9.316 -4.147
146 HH21 ARG 19 HH11 ARG 19 -1.648 10.767 -1.000
147 HH22 ARG 19 HH12 ARG 19 -2.266 10.893 -2.612
148 H ASP 20 H ASP 20 1.230 6.164 2.060
149 HA ASP 20 HA ASP 20 2.496 8.589 2.619
150 HB2 ASP 20 HB2 ASP 20 0.188 7.891 3.346
151 HB3 ASP 20 HB3 ASP 20 0.945 6.922 4.608
152 H ARG 21 H ARG 21 3.036 5.364 3.937
153 HA ARG 21 HA ARG 21 4.706 6.059 6.093
154 HB2 ARG 21 HB2 ARG 21 3.659 3.766 5.445
155 HB3 ARG 21 HB3 ARG 21 5.121 3.558 4.478
156 HG2 ARG 21 HG2 ARG 21 6.481 4.054 6.525
157 HG3 ARG 21 HG3 ARG 21 4.985 4.082 7.461
158 HD2 ARG 21 HD2 ARG 21 4.512 1.756 6.710
159 HD3 ARG 21 HD3 ARG 21 6.059 1.736 5.870
160 HE ARG 21 HE ARG 21 7.148 1.590 7.948
161 HH11 ARG 21 HH21 ARG 21 3.740 2.102 8.260
162 HH12 ARG 21 HH22 ARG 21 3.698 1.727 9.951
163 HH21 ARG 21 HH11 ARG 21 7.101 1.098 10.164
164 HH22 ARG 21 HH12 ARG 21 5.602 1.160 11.029
165 H VAL 22 H VAL 22 5.501 5.199 2.731
166 HA VAL 22 HA VAL 22 8.291 5.986 3.186
167 HB VAL 22 HB VAL 22 7.331 5.057 0.522
168 HG11 VAL 22 HG11 VAL 22 9.697 5.572 0.905
169 HG12 VAL 22 HG12 VAL 22 9.496 3.840 0.643
170 HG13 VAL 22 HG13 VAL 22 9.735 4.462 2.275
171 HG21 VAL 22 HG21 VAL 22 6.146 3.428 1.705
172 HG22 VAL 22 HG22 VAL 22 7.266 3.459 3.066
173 HG23 VAL 22 HG23 VAL 22 7.730 2.665 1.561
174 H ARG 23 H ARG 23 5.409 7.359 2.189
175 HA ARG 23 HA ARG 23 4.843 9.253 1.009
176 HB2 ARG 23 HB2 ARG 23 7.610 10.105 1.889
177 HB3 ARG 23 HB3 ARG 23 6.290 11.172 1.412
178 HG2 ARG 23 HG2 ARG 23 4.920 10.254 3.284
179 HG3 ARG 23 HG3 ARG 23 6.308 9.293 3.792
180 HD2 ARG 23 HD2 ARG 23 7.535 11.166 4.450
181 HD3 ARG 23 HD3 ARG 23 6.620 12.254 3.410
182 HE ARG 23 HE ARG 23 5.079 12.507 5.126
183 HH11 ARG 23 HH21 ARG 23 7.074 9.729 5.649
184 HH12 ARG 23 HH22 ARG 23 6.468 9.421 7.242
185 HH21 ARG 23 HH11 ARG 23 4.280 12.111 7.215
186 HH22 ARG 23 HH12 ARG 23 4.886 10.769 8.128
187 H THR 24 H THR 24 6.055 7.136 -0.560
188 HA THR 24 HA THR 24 7.388 8.761 -2.645
189 HB THR 24 HB THR 24 7.644 5.778 -2.537
190 HG1 THR 24 HG1 THR 24 8.188 6.567 -0.460
191 HG21 THR 24 HG21 THR 24 8.471 7.101 -4.474
192 HG22 THR 24 HG22 THR 24 9.776 6.277 -3.619
193 HG23 THR 24 HG23 THR 24 9.518 8.005 -3.378
194 H ASP 25 H ASP 25 6.203 9.080 -4.405
195 HA ASP 25 HA ASP 25 3.656 8.025 -4.844
196 HB2 ASP 25 HB2 ASP 25 4.999 10.026 -5.966
197 HB3 ASP 25 HB3 ASP 25 5.318 8.804 -7.196
198 H ASP 26 H ASP 26 6.446 6.323 -4.837
199 HA ASP 26 HA ASP 26 5.739 4.552 -7.068
200 HB2 ASP 26 HB2 ASP 26 8.068 5.105 -6.984
201 HB3 ASP 26 HB3 ASP 26 8.161 4.713 -5.269
202 H TYR 27 H TYR 27 6.289 4.456 -3.554
203 HA TYR 27 HA TYR 27 5.719 1.724 -3.191
204 HB2 TYR 27 HB2 TYR 27 6.142 4.046 -1.513
205 HB3 TYR 27 HB3 TYR 27 4.840 3.042 -0.875
206 HD1 TYR 27 HD1 TYR 27 8.364 2.924 -2.102
207 HD2 TYR 27 HD2 TYR 27 5.300 0.980 0.197
208 HE1 TYR 27 HE1 TYR 27 10.029 1.287 -1.267
209 HE2 TYR 27 HE2 TYR 27 6.966 -0.657 1.032
210 HH TYR 27 HH TYR 27 9.307 -0.914 1.310
211 H PHE 28 H PHE 28 3.682 4.281 -4.100
212 HA PHE 28 HA PHE 28 1.262 3.339 -2.894
213 HB2 PHE 28 HB2 PHE 28 1.419 5.663 -3.517
214 HB3 PHE 28 HB3 PHE 28 1.799 5.238 -5.187
215 HD1 PHE 28 HD2 PHE 28 -0.776 4.208 -2.661
216 HD2 PHE 28 HD1 PHE 28 0.034 5.545 -6.659
217 HE1 PHE 28 HE2 PHE 28 -3.190 4.094 -3.188
218 HE2 PHE 28 HE1 PHE 28 -2.379 5.429 -7.187
219 HZ PHE 28 HZ PHE 28 -4.000 4.704 -5.453
220 H TYR 29 H TYR 29 2.271 3.479 -6.320
221 HA TYR 29 HA TYR 29 0.321 1.836 -7.386
222 HB2 TYR 29 HB2 TYR 29 2.876 2.870 -8.228
223 HB3 TYR 29 HB3 TYR 29 2.714 1.196 -8.756
224 HD1 TYR 29 HD2 TYR 29 0.276 4.020 -8.328
225 HD2 TYR 29 HD1 TYR 29 1.991 1.096 -10.967
226 HE1 TYR 29 HE2 TYR 29 -1.272 4.736 -10.128
227 HE2 TYR 29 HE1 TYR 29 0.442 1.813 -12.767
228 HH TYR 29 HH TYR 29 -1.849 2.944 -12.877
229 H GLU 30 H GLU 30 3.448 0.912 -5.981
230 HA GLU 30 HA GLU 30 3.562 -1.768 -6.471
231 HB2 GLU 30 HB2 GLU 30 4.819 -0.030 -4.706
232 HB3 GLU 30 HB3 GLU 30 4.079 -1.234 -3.651
233 HG2 GLU 30 HG2 GLU 30 5.081 -3.020 -5.125
234 HG3 GLU 30 HG3 GLU 30 5.963 -1.745 -5.966
235 H CYS 31 H CYS 31 1.292 -0.088 -4.432
236 HA CYS 31 HA CYS 31 0.316 -2.481 -3.131
237 HB2 CYS 31 HB2 CYS 31 0.237 -0.279 -2.006
238 HB3 CYS 31 HB3 CYS 31 -0.876 0.302 -3.244
239 H CYS 32 H CYS 32 -0.951 -0.197 -5.556
240 HA CYS 32 HA CYS 32 -3.366 -1.515 -6.081
241 HB2 CYS 32 HB2 CYS 32 -2.215 0.780 -6.969
242 HB3 CYS 32 HB3 CYS 32 -2.045 -0.242 -8.396
243 H THR 33 H THR 33 -0.259 -2.650 -6.573
244 HA THR 33 HA THR 33 -1.264 -4.781 -8.313
245 HB THR 33 HB THR 33 1.407 -3.836 -9.103
246 HG1 THR 33 HG1 THR 33 0.028 -1.909 -8.685
247 HG21 THR 33 HG21 THR 33 0.332 -4.177 -11.360
248 HG22 THR 33 HG22 THR 33 -1.149 -4.632 -10.518
249 HG23 THR 33 HG23 THR 33 0.311 -5.603 -10.323
250 H SER 34 H SER 34 0.922 -6.226 -8.766
251 HA SER 34 HA SER 34 2.215 -7.849 -7.772
252 HB2 SER 34 HB2 SER 34 3.835 -6.066 -7.662
253 HB3 SER 34 HB3 SER 34 3.073 -5.397 -6.223
254 HG SER 34 HG SER 34 3.649 -8.015 -5.895
255 H GLU 35 H GLU 35 0.758 -9.213 -6.803
256 HA GLU 35 HA GLU 35 -0.765 -8.754 -4.525
257 HB2 GLU 35 HB2 GLU 35 -1.084 -11.104 -4.408
258 HB3 GLU 35 HB3 GLU 35 -0.860 -10.745 -6.121
259 HG2 GLU 35 HG2 GLU 35 1.551 -11.330 -5.897
260 HG3 GLU 35 HG3 GLU 35 1.263 -11.774 -4.216
261 H SER 36 H SER 36 2.573 -9.885 -4.814
262 HA SER 36 HA SER 36 3.061 -10.629 -2.173
263 HB2 SER 36 HB2 SER 36 4.659 -10.972 -4.032
264 HB3 SER 36 HB3 SER 36 4.968 -9.238 -4.071
265 HG SER 36 HG SER 36 6.412 -9.698 -2.613
266 H THR 37 H THR 37 3.105 -7.432 -3.681
267 HA THR 37 HA THR 37 4.047 -6.076 -1.330
268 HB THR 37 HB THR 37 2.631 -4.956 -3.761
269 HG1 THR 37 HG1 THR 37 5.325 -5.531 -3.158
270 HG21 THR 37 HG21 THR 37 2.918 -2.919 -2.840
271 HG22 THR 37 HG22 THR 37 4.584 -3.284 -2.394
272 HG23 THR 37 HG23 THR 37 3.263 -3.753 -1.325
273 H PHE 38 H PHE 38 0.889 -6.619 -2.843
274 HA PHE 38 HA PHE 38 -0.703 -4.982 -1.274
275 HB2 PHE 38 HB2 PHE 38 -1.141 -6.967 -3.173
276 HB3 PHE 38 HB3 PHE 38 -1.939 -7.583 -1.727
277 HD1 PHE 38 HD2 PHE 38 -3.176 -5.567 -0.338
278 HD2 PHE 38 HD1 PHE 38 -2.483 -5.685 -4.575
279 HE1 PHE 38 HE2 PHE 38 -5.045 -3.975 -0.688
280 HE2 PHE 38 HE1 PHE 38 -4.352 -4.093 -4.925
281 HZ PHE 38 HZ PHE 38 -5.632 -3.238 -2.981
282 H LYS 39 H LYS 39 0.823 -8.026 -0.484
283 HA LYS 39 HA LYS 39 -0.612 -8.210 2.062
284 HB2 LYS 39 HB2 LYS 39 -0.115 -10.233 0.604
285 HB3 LYS 39 HB3 LYS 39 1.579 -10.029 1.055
286 HG2 LYS 39 HG2 LYS 39 0.852 -11.512 2.698
287 HG3 LYS 39 HG3 LYS 39 0.611 -9.963 3.505
288 HD2 LYS 39 HD2 LYS 39 -1.764 -10.139 2.274
289 HD3 LYS 39 HD3 LYS 39 -1.408 -11.862 2.406
290 HE2 LYS 39 HE2 LYS 39 -1.948 -9.870 4.551
291 HE3 LYS 39 HE3 LYS 39 -2.383 -11.577 4.466
292 HZ1 LYS 39 HZ1 LYS 39 0.340 -11.584 4.529
293 HZ2 LYS 39 HZ2 LYS 39 -0.688 -11.910 5.842
294 HZ3 LYS 39 HZ3 LYS 39 -0.070 -10.344 5.611
295 H LYS 40 H LYS 40 2.608 -7.565 0.775
296 HA LYS 40 HA LYS 40 3.999 -7.517 3.240
297 HB2 LYS 40 HB2 LYS 40 4.709 -7.293 0.599
298 HB3 LYS 40 HB3 LYS 40 4.957 -5.647 1.185
299 HG2 LYS 40 HG2 LYS 40 6.315 -6.541 3.063
300 HG3 LYS 40 HG3 LYS 40 6.111 -8.169 2.413
301 HD2 LYS 40 HD2 LYS 40 7.683 -7.843 0.819
302 HD3 LYS 40 HD3 LYS 40 7.045 -6.251 0.404
303 HE2 LYS 40 HE2 LYS 40 8.925 -6.940 2.675
304 HE3 LYS 40 HE3 LYS 40 9.260 -5.912 1.281
305 HZ1 LYS 40 HZ1 LYS 40 6.954 -4.981 2.598
306 HZ2 LYS 40 HZ2 LYS 40 8.437 -4.187 2.365
307 HZ3 LYS 40 HZ3 LYS 40 8.197 -5.159 3.738
308 H CYS 41 H CYS 41 1.862 -5.273 1.706
309 HA CYS 41 HA CYS 41 2.734 -2.896 3.006
310 HB2 CYS 41 HB2 CYS 41 1.329 -2.832 1.002
311 HB3 CYS 41 HB3 CYS 41 0.019 -3.623 1.879
312 H GLN 42 H GLN 42 -0.196 -4.853 3.602
313 HA GLN 42 HA GLN 42 -1.012 -3.678 5.962
314 HB2 GLN 42 HB2 GLN 42 -1.823 -5.841 4.474
315 HB3 GLN 42 HB3 GLN 42 -1.287 -6.601 5.973
316 HG2 GLN 42 HG2 GLN 42 -3.247 -4.295 5.771
317 HG3 GLN 42 HG3 GLN 42 -3.670 -5.973 6.104
318 HE21 GLN 42 HE21 GLN 42 -1.318 -6.464 7.839
319 HE22 GLN 42 HE22 GLN 42 -1.609 -5.616 9.280
320 H THR 43 H THR 43 1.641 -5.880 5.424
321 HA THR 43 HA THR 43 2.020 -6.455 8.241
322 HB THR 43 HB THR 43 4.044 -6.971 6.075
323 HG1 THR 43 HG1 THR 43 2.762 -8.375 5.212
324 HG21 THR 43 HG21 THR 43 3.395 -8.973 8.136
325 HG22 THR 43 HG22 THR 43 4.036 -7.459 8.772
326 HG23 THR 43 HG23 THR 43 4.966 -8.383 7.594
327 H MET 44 H MET 44 3.400 -4.324 5.796
328 HA MET 44 HA MET 44 5.590 -3.432 7.409
329 HB2 MET 44 HB2 MET 44 4.787 -3.129 4.743
330 HB3 MET 44 HB3 MET 44 4.731 -1.503 5.422
331 HG2 MET 44 HG2 MET 44 6.973 -1.959 4.544
332 HG3 MET 44 HG3 MET 44 7.036 -1.814 6.300
333 HE1 MET 44 HE1 MET 44 9.100 -2.615 6.370
334 HE2 MET 44 HE2 MET 44 9.625 -3.550 4.972
335 HE3 MET 44 HE3 MET 44 9.550 -4.315 6.556
336 H LEU 45 H LEU 45 2.293 -2.923 7.629
337 HA LEU 45 HA LEU 45 2.480 -0.188 8.640
338 HB2 LEU 45 HB2 LEU 45 0.223 -2.084 8.058
339 HB3 LEU 45 HB3 LEU 45 -0.043 -0.668 9.075
340 HG LEU 45 HG LEU 45 1.243 -0.509 6.340
341 HD11 LEU 45 HD11 LEU 45 -1.602 0.278 6.924
342 HD12 LEU 45 HD12 LEU 45 -1.217 -1.387 6.487
343 HD13 LEU 45 HD13 LEU 45 -0.846 -0.074 5.369
344 HD21 LEU 45 HD21 LEU 45 1.603 1.628 6.964
345 HD22 LEU 45 HD22 LEU 45 0.816 1.332 8.515
346 HD23 LEU 45 HD23 LEU 45 -0.139 1.850 7.126
347 H HIS 46 H HIS 46 1.650 -3.439 9.813
348 HA HIS 46 HA HIS 46 1.268 -2.596 12.527
349 HB2 HIS 46 HB2 HIS 46 1.431 -5.218 11.096
350 HB3 HIS 46 HB3 HIS 46 1.598 -5.196 12.851
351 HD1 HIS 46 HD1 HIS 46 -0.703 -6.170 13.409
352 HD2 HIS 46 HD2 HIS 46 -0.918 -2.796 10.970
353 HE1 HIS 46 HE1 HIS 46 -3.146 -5.507 13.317
354 H GLN 47 H GLN 47 3.981 -3.602 10.597
355 HA GLN 47 HA GLN 47 5.823 -2.852 12.689
356 HB2 GLN 47 HB2 GLN 47 7.004 -5.067 12.671
357 HB3 GLN 47 HB3 GLN 47 5.415 -5.110 13.436
358 HG2 GLN 47 HG2 GLN 47 4.520 -5.791 11.114
359 HG3 GLN 47 HG3 GLN 47 6.203 -6.120 10.704
360 HE21 GLN 47 HE21 GLN 47 7.349 -7.756 12.106
361 HE22 GLN 47 HE22 GLN 47 6.434 -8.969 12.863
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 -7.453 7.030 -14.141
2 H2 ALA 1 H2 ALA 1 -8.536 5.933 -13.428
3 H3 ALA 1 H3 ALA 1 -8.943 6.708 -14.885
4 HA ALA 1 HA ALA 1 -7.764 5.300 -16.146
5 HB1 ALA 1 HB1 ALA 1 -5.672 6.231 -14.967
6 HB2 ALA 1 HB2 ALA 1 -5.547 4.608 -15.646
7 HB3 ALA 1 HB3 ALA 1 -5.786 4.822 -13.912
8 H ASP 2 H ASP 2 -8.686 4.697 -12.884
9 HA ASP 2 HA ASP 2 -9.541 2.862 -11.806
10 HB2 ASP 2 HB2 ASP 2 -10.152 1.936 -14.620
11 HB3 ASP 2 HB3 ASP 2 -10.930 1.381 -13.139
12 H ASP 3 H ASP 3 -6.762 2.788 -12.240
13 HA ASP 3 HA ASP 3 -5.956 0.247 -13.299
14 HB2 ASP 3 HB2 ASP 3 -4.426 2.189 -13.188
15 HB3 ASP 3 HB3 ASP 3 -4.478 2.114 -11.428
16 H LYS 4 H LYS 4 -7.946 -0.526 -11.789
17 HA LYS 4 HA LYS 4 -8.546 -1.979 -10.119
18 HB2 LYS 4 HB2 LYS 4 -5.590 -2.239 -9.541
19 HB3 LYS 4 HB3 LYS 4 -6.867 -3.398 -9.171
20 HG2 LYS 4 HG2 LYS 4 -6.858 -2.712 -11.996
21 HG3 LYS 4 HG3 LYS 4 -5.294 -3.346 -11.487
22 HD2 LYS 4 HD2 LYS 4 -6.331 -5.338 -10.572
23 HD3 LYS 4 HD3 LYS 4 -7.942 -4.686 -10.874
24 HE2 LYS 4 HE2 LYS 4 -7.827 -5.812 -12.840
25 HE3 LYS 4 HE3 LYS 4 -6.765 -4.502 -13.359
26 HZ1 LYS 4 HZ1 LYS 4 -5.192 -6.233 -11.895
27 HZ2 LYS 4 HZ2 LYS 4 -5.177 -6.007 -13.579
28 HZ3 LYS 4 HZ3 LYS 4 -6.142 -7.225 -12.891
29 H CYS 5 H CYS 5 -7.169 0.945 -9.669
30 HA CYS 5 HA CYS 5 -7.244 0.825 -6.727
31 HB2 CYS 5 HB2 CYS 5 -6.334 3.186 -8.359
32 HB3 CYS 5 HB3 CYS 5 -5.915 2.767 -6.698
33 H GLU 6 H GLU 6 -7.903 3.566 -8.876
34 HA GLU 6 HA GLU 6 -9.876 4.751 -7.377
35 HB2 GLU 6 HB2 GLU 6 -9.402 4.690 -10.349
36 HB3 GLU 6 HB3 GLU 6 -10.747 5.600 -9.659
37 HG2 GLU 6 HG2 GLU 6 -7.971 5.935 -8.548
38 HG3 GLU 6 HG3 GLU 6 -8.453 6.807 -10.002
39 H ASP 7 H ASP 7 -10.076 1.850 -9.232
40 HA ASP 7 HA ASP 7 -12.868 1.776 -9.694
41 HB2 ASP 7 HB2 ASP 7 -10.780 0.208 -10.432
42 HB3 ASP 7 HB3 ASP 7 -11.501 -0.791 -9.171
43 H SER 8 H SER 8 -10.848 0.816 -6.970
44 HA SER 8 HA SER 8 -13.308 0.307 -5.405
45 HB2 SER 8 HB2 SER 8 -11.663 -1.169 -4.010
46 HB3 SER 8 HB3 SER 8 -12.342 -1.812 -5.501
47 HG SER 8 HG SER 8 -9.757 -0.952 -4.914
48 H LEU 9 H LEU 9 -13.598 1.804 -3.892
49 HA LEU 9 HA LEU 9 -11.652 3.740 -3.196
50 HB2 LEU 9 HB2 LEU 9 -14.419 3.133 -2.510
51 HB3 LEU 9 HB3 LEU 9 -13.508 3.745 -1.129
52 HG LEU 9 HG LEU 9 -14.564 5.565 -2.483
53 HD11 LEU 9 HD11 LEU 9 -12.792 6.968 -2.098
54 HD12 LEU 9 HD12 LEU 9 -11.649 5.926 -2.945
55 HD13 LEU 9 HD13 LEU 9 -12.138 5.540 -1.295
56 HD21 LEU 9 HD21 LEU 9 -14.443 5.487 -4.731
57 HD22 LEU 9 HD22 LEU 9 -13.468 4.021 -4.624
58 HD23 LEU 9 HD23 LEU 9 -12.684 5.600 -4.647
59 H ARG 10 H ARG 10 -13.063 1.116 -1.221
60 HA ARG 10 HA ARG 10 -11.674 1.296 1.086
61 HB2 ARG 10 HB2 ARG 10 -11.475 -1.446 0.339
62 HB3 ARG 10 HB3 ARG 10 -12.665 -0.688 1.398
63 HG2 ARG 10 HG2 ARG 10 -14.137 -0.225 -0.433
64 HG3 ARG 10 HG3 ARG 10 -12.899 -0.642 -1.619
65 HD2 ARG 10 HD2 ARG 10 -13.860 -2.692 -1.630
66 HD3 ARG 10 HD3 ARG 10 -13.030 -2.931 -0.096
67 HE ARG 10 HE ARG 10 -15.325 -1.747 0.690
68 HH11 ARG 10 HH21 ARG 10 -14.619 -4.343 -1.483
69 HH12 ARG 10 HH22 ARG 10 -16.106 -5.180 -1.188
70 HH21 ARG 10 HH11 ARG 10 -17.279 -2.839 1.086
71 HH22 ARG 10 HH12 ARG 10 -17.613 -4.329 0.268
72 H ARG 11 H ARG 11 -10.422 -0.166 -1.904
73 HA ARG 11 HA ARG 11 -7.906 -0.930 -0.919
74 HB2 ARG 11 HB2 ARG 11 -9.081 -1.404 -3.217
75 HB3 ARG 11 HB3 ARG 11 -8.238 0.056 -3.733
76 HG2 ARG 11 HG2 ARG 11 -6.109 -0.883 -3.329
77 HG3 ARG 11 HG3 ARG 11 -6.770 -2.164 -2.311
78 HD2 ARG 11 HD2 ARG 11 -7.796 -2.077 -5.089
79 HD3 ARG 11 HD3 ARG 11 -6.101 -2.524 -4.917
80 HE ARG 11 HE ARG 11 -8.405 -4.060 -4.006
81 HH11 ARG 11 HH21 ARG 11 -4.992 -3.493 -3.892
82 HH12 ARG 11 HH22 ARG 11 -4.608 -5.083 -3.325
83 HH21 ARG 11 HH11 ARG 11 -7.907 -6.147 -3.262
84 HH22 ARG 11 HH12 ARG 11 -6.258 -6.586 -2.969
85 H GLU 12 H GLU 12 -8.992 2.107 -2.401
86 HA GLU 12 HA GLU 12 -6.484 3.391 -2.481
87 HB2 GLU 12 HB2 GLU 12 -9.082 4.036 -3.210
88 HB3 GLU 12 HB3 GLU 12 -8.719 5.185 -1.922
89 HG2 GLU 12 HG2 GLU 12 -7.883 6.304 -3.790
90 HG3 GLU 12 HG3 GLU 12 -6.443 5.475 -3.200
91 H ILE 13 H ILE 13 -8.885 3.045 0.065
92 HA ILE 13 HA ILE 13 -7.750 4.949 1.855
93 HB ILE 13 HB ILE 13 -9.413 2.533 2.587
94 HG12 ILE 13 HG12 ILE 13 -10.142 5.166 1.316
95 HG13 ILE 13 HG13 ILE 13 -10.718 3.548 0.916
96 HG21 ILE 13 HG21 ILE 13 -9.353 5.287 3.835
97 HG22 ILE 13 HG22 ILE 13 -8.275 3.996 4.364
98 HG23 ILE 13 HG23 ILE 13 -10.022 3.800 4.509
99 HD11 ILE 13 HD11 ILE 13 -11.492 5.290 3.252
100 HD12 ILE 13 HD12 ILE 13 -11.735 3.544 3.300
101 HD13 ILE 13 HD13 ILE 13 -12.538 4.513 2.065
102 H ALA 14 H ALA 14 -7.077 1.609 1.117
103 HA ALA 14 HA ALA 14 -5.382 1.286 3.477
104 HB1 ALA 14 HB1 ALA 14 -4.970 -0.946 1.952
105 HB2 ALA 14 HB2 ALA 14 -6.606 -0.491 1.475
106 HB3 ALA 14 HB3 ALA 14 -6.232 -0.789 3.174
107 H CYS 15 H CYS 15 -5.095 1.502 -0.049
108 HA CYS 15 HA CYS 15 -2.250 1.155 -0.074
109 HB2 CYS 15 HB2 CYS 15 -4.176 2.241 -2.138
110 HB3 CYS 15 HB3 CYS 15 -2.454 1.999 -2.431
111 H THR 16 H THR 16 -4.310 3.746 0.715
112 HA THR 16 HA THR 16 -2.587 5.902 -0.082
113 HB THR 16 HB THR 16 -4.997 5.679 1.708
114 HG1 THR 16 HG1 THR 16 -4.490 6.230 -0.849
115 HG21 THR 16 HG21 THR 16 -2.948 7.828 1.583
116 HG22 THR 16 HG22 THR 16 -4.034 7.383 2.899
117 HG23 THR 16 HG23 THR 16 -4.634 8.346 1.549
118 H LYS 17 H LYS 17 -2.955 3.882 2.746
119 HA LYS 17 HA LYS 17 -1.264 5.521 4.426
120 HB2 LYS 17 HB2 LYS 17 -2.354 2.717 4.756
121 HB3 LYS 17 HB3 LYS 17 -1.423 3.572 5.984
122 HG2 LYS 17 HG2 LYS 17 -3.614 5.191 4.924
123 HG3 LYS 17 HG3 LYS 17 -4.182 3.695 5.666
124 HD2 LYS 17 HD2 LYS 17 -2.671 4.263 7.647
125 HD3 LYS 17 HD3 LYS 17 -2.496 5.866 6.929
126 HE2 LYS 17 HE2 LYS 17 -4.817 6.330 7.142
127 HE3 LYS 17 HE3 LYS 17 -5.206 4.638 7.449
128 HZ1 LYS 17 HZ1 LYS 17 -3.538 6.315 9.240
129 HZ2 LYS 17 HZ2 LYS 17 -4.104 4.742 9.547
130 HZ3 LYS 17 HZ3 LYS 17 -5.197 6.041 9.466
131 H CYS 18 H CYS 18 -0.860 2.956 2.139
132 HA CYS 18 HA CYS 18 1.663 1.998 3.089
133 HB2 CYS 18 HB2 CYS 18 0.001 1.636 0.646
134 HB3 CYS 18 HB3 CYS 18 1.722 1.277 0.513
135 H ARG 19 H ARG 19 0.648 4.564 0.912
136 HA ARG 19 HA ARG 19 3.359 5.056 -0.009
137 HB2 ARG 19 HB2 ARG 19 2.433 6.460 -1.565
138 HB3 ARG 19 HB3 ARG 19 1.016 5.471 -1.222
139 HG2 ARG 19 HG2 ARG 19 0.348 7.159 0.524
140 HG3 ARG 19 HG3 ARG 19 1.677 8.178 -0.030
141 HD2 ARG 19 HD2 ARG 19 0.392 7.498 -2.386
142 HD3 ARG 19 HD3 ARG 19 -0.942 7.707 -1.254
143 HE ARG 19 HE ARG 19 -0.430 9.984 -1.136
144 HH11 ARG 19 HH21 ARG 19 2.057 8.188 -2.736
145 HH12 ARG 19 HH22 ARG 19 2.900 9.590 -3.300
146 HH21 ARG 19 HH11 ARG 19 0.670 11.829 -1.873
147 HH22 ARG 19 HH12 ARG 19 2.114 11.653 -2.812
148 H ASP 20 H ASP 20 0.991 6.600 2.136
149 HA ASP 20 HA ASP 20 2.585 8.860 2.776
150 HB2 ASP 20 HB2 ASP 20 0.205 7.525 4.020
151 HB3 ASP 20 HB3 ASP 20 1.055 8.791 4.902
152 H ARG 21 H ARG 21 2.794 5.573 3.651
153 HA ARG 21 HA ARG 21 4.028 5.907 6.220
154 HB2 ARG 21 HB2 ARG 21 3.178 3.726 4.542
155 HB3 ARG 21 HB3 ARG 21 4.825 3.436 5.101
156 HG2 ARG 21 HG2 ARG 21 2.630 4.322 6.981
157 HG3 ARG 21 HG3 ARG 21 2.938 2.619 6.637
158 HD2 ARG 21 HD2 ARG 21 5.394 4.072 7.243
159 HD3 ARG 21 HD3 ARG 21 4.231 4.162 8.563
160 HE ARG 21 HE ARG 21 4.685 1.505 7.444
161 HH11 ARG 21 HH21 ARG 21 5.418 3.881 9.851
162 HH12 ARG 21 HH22 ARG 21 6.048 2.735 10.987
163 HH21 ARG 21 HH11 ARG 21 5.510 -0.003 8.928
164 HH22 ARG 21 HH12 ARG 21 6.101 0.536 10.464
165 H VAL 22 H VAL 22 5.218 5.298 2.927
166 HA VAL 22 HA VAL 22 7.973 5.740 3.875
167 HB VAL 22 HB VAL 22 7.047 4.734 1.176
168 HG11 VAL 22 HG11 VAL 22 9.220 5.141 0.693
169 HG12 VAL 22 HG12 VAL 22 9.588 3.779 1.751
170 HG13 VAL 22 HG13 VAL 22 9.624 5.424 2.386
171 HG21 VAL 22 HG21 VAL 22 7.225 3.427 3.786
172 HG22 VAL 22 HG22 VAL 22 8.246 2.646 2.579
173 HG23 VAL 22 HG23 VAL 22 6.517 2.833 2.285
174 H ARG 23 H ARG 23 5.409 7.331 2.362
175 HA ARG 23 HA ARG 23 5.216 9.361 1.306
176 HB2 ARG 23 HB2 ARG 23 8.044 9.969 2.133
177 HB3 ARG 23 HB3 ARG 23 6.673 11.069 1.990
178 HG2 ARG 23 HG2 ARG 23 5.614 10.129 3.937
179 HG3 ARG 23 HG3 ARG 23 6.789 8.815 4.009
180 HD2 ARG 23 HD2 ARG 23 7.657 10.270 5.600
181 HD3 ARG 23 HD3 ARG 23 8.535 10.779 4.162
182 HE ARG 23 HE ARG 23 6.345 12.237 5.467
183 HH11 ARG 23 HH21 ARG 23 8.646 11.912 2.901
184 HH12 ARG 23 HH22 ARG 23 8.543 13.571 2.414
185 HH21 ARG 23 HH11 ARG 23 6.205 14.412 4.832
186 HH22 ARG 23 HH12 ARG 23 7.160 14.986 3.507
187 H THR 24 H THR 24 5.846 7.302 -0.375
188 HA THR 24 HA THR 24 7.538 8.666 -2.364
189 HB THR 24 HB THR 24 7.798 5.834 -1.387
190 HG1 THR 24 HG1 THR 24 9.591 7.939 -2.010
191 HG21 THR 24 HG21 THR 24 7.608 5.421 -3.691
192 HG22 THR 24 HG22 THR 24 9.344 5.634 -3.470
193 HG23 THR 24 HG23 THR 24 8.369 6.952 -4.123
194 H ASP 25 H ASP 25 6.314 9.045 -4.085
195 HA ASP 25 HA ASP 25 3.778 8.024 -4.579
196 HB2 ASP 25 HB2 ASP 25 5.856 9.327 -6.300
197 HB3 ASP 25 HB3 ASP 25 4.400 8.670 -7.048
198 H ASP 26 H ASP 26 6.772 6.452 -4.886
199 HA ASP 26 HA ASP 26 5.926 4.605 -6.965
200 HB2 ASP 26 HB2 ASP 26 8.384 5.474 -6.109
201 HB3 ASP 26 HB3 ASP 26 8.276 3.883 -5.359
202 H TYR 27 H TYR 27 5.988 4.781 -3.489
203 HA TYR 27 HA TYR 27 5.635 1.947 -3.077
204 HB2 TYR 27 HB2 TYR 27 5.890 4.355 -1.398
205 HB3 TYR 27 HB3 TYR 27 4.836 3.104 -0.738
206 HD1 TYR 27 HD2 TYR 27 8.243 3.728 -2.112
207 HD2 TYR 27 HD1 TYR 27 5.722 1.082 0.145
208 HE1 TYR 27 HE2 TYR 27 10.229 2.394 -1.457
209 HE2 TYR 27 HE1 TYR 27 7.707 -0.253 0.799
210 HH TYR 27 HH TYR 27 9.901 -0.639 0.314
211 H PHE 28 H PHE 28 3.616 4.388 -4.167
212 HA PHE 28 HA PHE 28 1.190 3.503 -2.876
213 HB2 PHE 28 HB2 PHE 28 1.334 5.824 -3.493
214 HB3 PHE 28 HB3 PHE 28 1.739 5.409 -5.160
215 HD1 PHE 28 HD2 PHE 28 -0.904 4.755 -2.589
216 HD2 PHE 28 HD1 PHE 28 0.032 5.327 -6.738
217 HE1 PHE 28 HE2 PHE 28 -3.312 4.641 -3.146
218 HE2 PHE 28 HE1 PHE 28 -2.374 5.213 -7.298
219 HZ PHE 28 HZ PHE 28 -4.055 4.870 -5.503
220 H TYR 29 H TYR 29 2.228 3.596 -6.298
221 HA TYR 29 HA TYR 29 0.245 1.921 -7.307
222 HB2 TYR 29 HB2 TYR 29 3.011 2.646 -8.188
223 HB3 TYR 29 HB3 TYR 29 2.171 1.337 -9.020
224 HD1 TYR 29 HD1 TYR 29 1.883 4.914 -8.015
225 HD2 TYR 29 HD2 TYR 29 0.414 1.776 -10.555
226 HE1 TYR 29 HE1 TYR 29 0.555 6.571 -9.293
227 HE2 TYR 29 HE2 TYR 29 -0.914 3.434 -11.834
228 HH TYR 29 HH TYR 29 -1.877 5.659 -11.512
229 H GLU 30 H GLU 30 3.151 1.184 -5.540
230 HA GLU 30 HA GLU 30 3.467 -1.533 -6.177
231 HB2 GLU 30 HB2 GLU 30 5.088 -0.128 -4.879
232 HB3 GLU 30 HB3 GLU 30 3.995 -0.229 -3.498
233 HG2 GLU 30 HG2 GLU 30 4.212 -2.640 -3.426
234 HG3 GLU 30 HG3 GLU 30 5.145 -2.644 -4.921
235 H CYS 31 H CYS 31 1.248 0.122 -4.042
236 HA CYS 31 HA CYS 31 0.364 -2.225 -2.644
237 HB2 CYS 31 HB2 CYS 31 0.145 0.010 -1.653
238 HB3 CYS 31 HB3 CYS 31 -0.940 0.491 -2.958
239 H CYS 32 H CYS 32 -0.768 -0.373 -5.437
240 HA CYS 32 HA CYS 32 -3.197 -1.845 -5.766
241 HB2 CYS 32 HB2 CYS 32 -1.697 0.208 -7.289
242 HB3 CYS 32 HB3 CYS 32 -2.780 -0.823 -8.223
243 H THR 33 H THR 33 0.036 -2.652 -6.351
244 HA THR 33 HA THR 33 -0.114 -4.139 -8.728
245 HB THR 33 HB THR 33 1.582 -5.056 -6.433
246 HG1 THR 33 HG1 THR 33 2.260 -2.861 -8.059
247 HG21 THR 33 HG21 THR 33 1.431 -5.828 -9.023
248 HG22 THR 33 HG22 THR 33 2.921 -5.899 -8.082
249 HG23 THR 33 HG23 THR 33 2.622 -4.535 -9.160
250 H SER 34 H SER 34 0.848 -6.704 -7.683
251 HA SER 34 HA SER 34 -1.698 -8.032 -7.504
252 HB2 SER 34 HB2 SER 34 -0.279 -9.417 -8.633
253 HB3 SER 34 HB3 SER 34 1.144 -8.831 -7.777
254 HG SER 34 HG SER 34 -0.807 -10.700 -6.941
255 H GLU 35 H GLU 35 -1.470 -10.069 -5.811
256 HA GLU 35 HA GLU 35 -1.898 -8.846 -3.248
257 HB2 GLU 35 HB2 GLU 35 -1.707 -11.802 -3.838
258 HB3 GLU 35 HB3 GLU 35 -2.572 -11.016 -2.517
259 HG2 GLU 35 HG2 GLU 35 -4.154 -10.024 -4.055
260 HG3 GLU 35 HG3 GLU 35 -3.224 -10.585 -5.444
261 H SER 36 H SER 36 0.654 -10.759 -4.739
262 HA SER 36 HA SER 36 2.143 -11.533 -2.543
263 HB2 SER 36 HB2 SER 36 3.340 -10.444 -5.094
264 HB3 SER 36 HB3 SER 36 4.042 -11.633 -4.000
265 HG SER 36 HG SER 36 2.781 -12.277 -6.046
266 H THR 37 H THR 37 2.192 -8.406 -4.227
267 HA THR 37 HA THR 37 4.175 -7.295 -2.452
268 HB THR 37 HB THR 37 3.019 -5.148 -3.699
269 HG1 THR 37 HG1 THR 37 1.733 -6.991 -4.735
270 HG21 THR 37 HG21 THR 37 4.824 -5.669 -5.495
271 HG22 THR 37 HG22 THR 37 5.200 -7.067 -4.488
272 HG23 THR 37 HG23 THR 37 5.349 -5.439 -3.826
273 H PHE 38 H PHE 38 0.674 -7.339 -2.668
274 HA PHE 38 HA PHE 38 0.091 -5.218 -0.913
275 HB2 PHE 38 HB2 PHE 38 -1.423 -6.867 -2.415
276 HB3 PHE 38 HB3 PHE 38 -1.674 -7.598 -0.829
277 HD1 PHE 38 HD1 PHE 38 -2.461 -6.140 1.091
278 HD2 PHE 38 HD2 PHE 38 -2.440 -4.796 -2.989
279 HE1 PHE 38 HE1 PHE 38 -4.033 -4.316 1.684
280 HE2 PHE 38 HE2 PHE 38 -4.012 -2.973 -2.396
281 HZ PHE 38 HZ PHE 38 -4.809 -2.733 -0.060
282 H LYS 39 H LYS 39 0.973 -8.574 -0.331
283 HA LYS 39 HA LYS 39 0.292 -8.652 2.428
284 HB2 LYS 39 HB2 LYS 39 0.787 -10.628 0.878
285 HB3 LYS 39 HB3 LYS 39 2.493 -10.261 1.136
286 HG2 LYS 39 HG2 LYS 39 1.946 -10.331 3.653
287 HG3 LYS 39 HG3 LYS 39 0.434 -11.106 3.179
288 HD2 LYS 39 HD2 LYS 39 3.038 -12.156 2.105
289 HD3 LYS 39 HD3 LYS 39 2.525 -12.595 3.735
290 HE2 LYS 39 HE2 LYS 39 0.940 -13.024 1.186
291 HE3 LYS 39 HE3 LYS 39 1.726 -14.275 2.149
292 HZ1 LYS 39 HZ1 LYS 39 -0.513 -14.271 2.801
293 HZ2 LYS 39 HZ2 LYS 39 -0.579 -12.576 2.896
294 HZ3 LYS 39 HZ3 LYS 39 0.308 -13.459 4.044
295 H LYS 40 H LYS 40 3.295 -7.895 0.696
296 HA LYS 40 HA LYS 40 5.004 -7.639 2.894
297 HB2 LYS 40 HB2 LYS 40 5.556 -7.555 0.380
298 HB3 LYS 40 HB3 LYS 40 5.159 -5.839 0.484
299 HG2 LYS 40 HG2 LYS 40 6.818 -5.588 2.318
300 HG3 LYS 40 HG3 LYS 40 7.249 -7.288 2.136
301 HD2 LYS 40 HD2 LYS 40 7.288 -5.702 -0.364
302 HD3 LYS 40 HD3 LYS 40 8.518 -5.270 0.824
303 HE2 LYS 40 HE2 LYS 40 8.022 -8.148 0.073
304 HE3 LYS 40 HE3 LYS 40 9.105 -7.129 -0.875
305 HZ1 LYS 40 HZ1 LYS 40 10.675 -7.431 0.633
306 HZ2 LYS 40 HZ2 LYS 40 9.644 -8.447 1.523
307 HZ3 LYS 40 HZ3 LYS 40 9.685 -6.780 1.847
308 H CYS 41 H CYS 41 2.821 -5.277 1.400
309 HA CYS 41 HA CYS 41 3.599 -3.063 2.988
310 HB2 CYS 41 HB2 CYS 41 1.855 -3.484 0.868
311 HB3 CYS 41 HB3 CYS 41 0.793 -3.037 2.204
312 H GLN 42 H GLN 42 1.041 -5.496 3.354
313 HA GLN 42 HA GLN 42 -0.259 -4.466 5.589
314 HB2 GLN 42 HB2 GLN 42 -0.911 -6.499 4.212
315 HB3 GLN 42 HB3 GLN 42 0.279 -7.406 5.148
316 HG2 GLN 42 HG2 GLN 42 -1.258 -5.930 7.018
317 HG3 GLN 42 HG3 GLN 42 -2.402 -6.657 5.892
318 HE21 GLN 42 HE21 GLN 42 -3.150 -8.338 7.308
319 HE22 GLN 42 HE22 GLN 42 -2.139 -9.588 7.853
320 H THR 43 H THR 43 2.817 -6.100 5.321
321 HA THR 43 HA THR 43 3.107 -6.587 8.148
322 HB THR 43 HB THR 43 5.224 -6.570 5.985
323 HG1 THR 43 HG1 THR 43 3.175 -8.265 6.562
324 HG21 THR 43 HG21 THR 43 6.667 -7.304 7.562
325 HG22 THR 43 HG22 THR 43 5.472 -8.397 8.261
326 HG23 THR 43 HG23 THR 43 5.496 -6.697 8.735
327 H MET 44 H MET 44 3.881 -4.026 5.910
328 HA MET 44 HA MET 44 5.653 -2.651 7.746
329 HB2 MET 44 HB2 MET 44 4.586 -2.137 4.998
330 HB3 MET 44 HB3 MET 44 5.225 -0.782 5.928
331 HG2 MET 44 HG2 MET 44 6.843 -3.292 5.841
332 HG3 MET 44 HG3 MET 44 6.815 -2.281 4.397
333 HE1 MET 44 HE1 MET 44 9.635 -2.614 5.566
334 HE2 MET 44 HE2 MET 44 10.096 -0.920 5.425
335 HE3 MET 44 HE3 MET 44 9.039 -1.641 4.214
336 H LEU 45 H LEU 45 2.362 -2.189 6.477
337 HA LEU 45 HA LEU 45 1.693 0.199 7.696
338 HB2 LEU 45 HB2 LEU 45 -0.033 -2.244 7.240
339 HB3 LEU 45 HB3 LEU 45 -0.655 -0.652 7.677
340 HG LEU 45 HG LEU 45 1.030 -1.241 5.224
341 HD11 LEU 45 HD11 LEU 45 -1.823 -1.482 5.752
342 HD12 LEU 45 HD12 LEU 45 -0.909 -1.962 4.323
343 HD13 LEU 45 HD13 LEU 45 -1.502 -0.307 4.475
344 HD21 LEU 45 HD21 LEU 45 -0.114 1.228 6.476
345 HD22 LEU 45 HD22 LEU 45 -0.073 1.128 4.715
346 HD23 LEU 45 HD23 LEU 45 1.424 1.007 5.641
347 H HIS 46 H HIS 46 1.885 -3.022 9.098
348 HA HIS 46 HA HIS 46 1.065 -1.916 11.711
349 HB2 HIS 46 HB2 HIS 46 -0.053 -4.011 10.620
350 HB3 HIS 46 HB3 HIS 46 1.401 -4.847 11.165
351 HD1 HIS 46 HD1 HIS 46 1.950 -4.536 13.818
352 HD2 HIS 46 HD2 HIS 46 -1.941 -3.642 12.620
353 HE1 HIS 46 HE1 HIS 46 0.539 -4.524 15.922
354 H GLN 47 H GLN 47 3.165 -4.631 10.760
355 HA GLN 47 HA GLN 47 5.318 -5.172 11.355
356 HB2 GLN 47 HB2 GLN 47 5.653 -2.724 10.579
357 HB3 GLN 47 HB3 GLN 47 5.733 -2.346 12.301
358 HG2 GLN 47 HG2 GLN 47 7.917 -2.904 12.188
359 HG3 GLN 47 HG3 GLN 47 7.374 -4.575 12.050
360 HE21 GLN 47 HE21 GLN 47 6.769 -5.210 9.652
361 HE22 GLN 47 HE22 GLN 47 7.816 -4.626 8.450
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 -7.951 3.622 -15.238
2 H2 ALA 1 H2 ALA 1 -7.689 3.009 -13.675
3 H3 ALA 1 H3 ALA 1 -7.351 4.638 -14.019
4 HA ALA 1 HA ALA 1 -9.356 5.004 -13.112
5 HB1 ALA 1 HB1 ALA 1 -9.497 5.326 -15.673
6 HB2 ALA 1 HB2 ALA 1 -11.016 5.237 -14.782
7 HB3 ALA 1 HB3 ALA 1 -10.435 3.832 -15.676
8 H ASP 2 H ASP 2 -10.672 4.075 -11.668
9 HA ASP 2 HA ASP 2 -11.283 2.221 -10.338
10 HB2 ASP 2 HB2 ASP 2 -13.046 1.751 -12.734
11 HB3 ASP 2 HB3 ASP 2 -13.442 1.568 -11.026
12 H ASP 3 H ASP 3 -8.972 1.487 -11.819
13 HA ASP 3 HA ASP 3 -9.452 -1.044 -13.119
14 HB2 ASP 3 HB2 ASP 3 -7.064 0.611 -12.443
15 HB3 ASP 3 HB3 ASP 3 -6.822 -1.109 -12.744
16 H LYS 4 H LYS 4 -7.940 -0.023 -10.061
17 HA LYS 4 HA LYS 4 -8.884 -2.423 -8.742
18 HB2 LYS 4 HB2 LYS 4 -6.457 -2.661 -9.978
19 HB3 LYS 4 HB3 LYS 4 -5.980 -2.115 -8.369
20 HG2 LYS 4 HG2 LYS 4 -7.584 -3.912 -7.468
21 HG3 LYS 4 HG3 LYS 4 -7.588 -4.562 -9.107
22 HD2 LYS 4 HD2 LYS 4 -5.111 -4.724 -9.029
23 HD3 LYS 4 HD3 LYS 4 -5.141 -4.136 -7.366
24 HE2 LYS 4 HE2 LYS 4 -5.196 -6.375 -6.887
25 HE3 LYS 4 HE3 LYS 4 -6.925 -6.157 -7.161
26 HZ1 LYS 4 HZ1 LYS 4 -5.595 -7.996 -8.422
27 HZ2 LYS 4 HZ2 LYS 4 -5.192 -6.712 -9.460
28 HZ3 LYS 4 HZ3 LYS 4 -6.822 -7.126 -9.208
29 H CYS 5 H CYS 5 -7.770 0.764 -8.793
30 HA CYS 5 HA CYS 5 -7.718 0.883 -5.839
31 HB2 CYS 5 HB2 CYS 5 -6.254 2.408 -7.956
32 HB3 CYS 5 HB3 CYS 5 -6.629 3.215 -6.434
33 H GLU 6 H GLU 6 -8.580 2.897 -8.667
34 HA GLU 6 HA GLU 6 -10.343 4.586 -7.204
35 HB2 GLU 6 HB2 GLU 6 -9.923 4.042 -10.137
36 HB3 GLU 6 HB3 GLU 6 -11.207 5.115 -9.578
37 HG2 GLU 6 HG2 GLU 6 -9.465 6.394 -8.281
38 HG3 GLU 6 HG3 GLU 6 -8.236 5.409 -9.071
39 H ASP 7 H ASP 7 -10.600 1.386 -7.983
40 HA ASP 7 HA ASP 7 -13.485 1.384 -8.467
41 HB2 ASP 7 HB2 ASP 7 -11.797 -0.165 -9.632
42 HB3 ASP 7 HB3 ASP 7 -11.723 -1.034 -8.100
43 H SER 8 H SER 8 -11.179 -0.003 -6.124
44 HA SER 8 HA SER 8 -13.398 -0.265 -4.193
45 HB2 SER 8 HB2 SER 8 -11.357 -1.609 -3.034
46 HB3 SER 8 HB3 SER 8 -12.512 -2.359 -4.132
47 HG SER 8 HG SER 8 -9.914 -1.377 -4.671
48 H LEU 9 H LEU 9 -13.500 1.178 -2.606
49 HA LEU 9 HA LEU 9 -11.521 3.187 -2.231
50 HB2 LEU 9 HB2 LEU 9 -14.156 2.986 -1.611
51 HB3 LEU 9 HB3 LEU 9 -13.429 2.706 -0.028
52 HG LEU 9 HG LEU 9 -11.936 4.780 -0.679
53 HD11 LEU 9 HD11 LEU 9 -12.679 5.081 -2.945
54 HD12 LEU 9 HD12 LEU 9 -13.360 6.410 -2.007
55 HD13 LEU 9 HD13 LEU 9 -14.374 5.040 -2.457
56 HD21 LEU 9 HD21 LEU 9 -13.428 4.809 1.224
57 HD22 LEU 9 HD22 LEU 9 -14.843 4.911 0.176
58 HD23 LEU 9 HD23 LEU 9 -13.731 6.274 0.292
59 H ARG 10 H ARG 10 -12.525 0.417 -0.225
60 HA ARG 10 HA ARG 10 -10.867 0.721 1.941
61 HB2 ARG 10 HB2 ARG 10 -11.816 -1.740 0.494
62 HB3 ARG 10 HB3 ARG 10 -10.795 -1.861 1.927
63 HG2 ARG 10 HG2 ARG 10 -12.439 -1.100 3.334
64 HG3 ARG 10 HG3 ARG 10 -13.127 -0.026 2.116
65 HD2 ARG 10 HD2 ARG 10 -14.728 -1.774 2.456
66 HD3 ARG 10 HD3 ARG 10 -13.951 -2.100 0.910
67 HE ARG 10 HE ARG 10 -13.200 -4.082 1.824
68 HH11 ARG 10 HH21 ARG 10 -13.805 -1.761 4.318
69 HH12 ARG 10 HH22 ARG 10 -13.431 -2.849 5.612
70 HH21 ARG 10 HH11 ARG 10 -12.707 -5.515 3.515
71 HH22 ARG 10 HH12 ARG 10 -12.809 -4.975 5.158
72 H ARG 11 H ARG 11 -9.983 -0.116 -1.315
73 HA ARG 11 HA ARG 11 -7.390 -1.177 -0.662
74 HB2 ARG 11 HB2 ARG 11 -8.996 -1.167 -2.920
75 HB3 ARG 11 HB3 ARG 11 -7.674 -0.084 -3.355
76 HG2 ARG 11 HG2 ARG 11 -6.864 -2.214 -3.962
77 HG3 ARG 11 HG3 ARG 11 -6.123 -1.924 -2.388
78 HD2 ARG 11 HD2 ARG 11 -7.042 -4.178 -2.426
79 HD3 ARG 11 HD3 ARG 11 -7.989 -3.188 -1.320
80 HE ARG 11 HE ARG 11 -9.366 -2.945 -3.640
81 HH11 ARG 11 HH21 ARG 11 -8.052 -5.635 -1.905
82 HH12 ARG 11 HH22 ARG 11 -9.272 -6.747 -2.430
83 HH21 ARG 11 HH11 ARG 11 -10.971 -4.397 -4.333
84 HH22 ARG 11 HH12 ARG 11 -10.926 -6.046 -3.804
85 H GLU 12 H GLU 12 -8.666 1.960 -1.675
86 HA GLU 12 HA GLU 12 -6.192 3.259 -2.081
87 HB2 GLU 12 HB2 GLU 12 -8.513 4.080 -2.745
88 HB3 GLU 12 HB3 GLU 12 -8.702 4.596 -1.069
89 HG2 GLU 12 HG2 GLU 12 -6.198 5.569 -1.736
90 HG3 GLU 12 HG3 GLU 12 -7.120 5.803 -3.220
91 H ILE 13 H ILE 13 -8.381 3.363 0.740
92 HA ILE 13 HA ILE 13 -6.843 4.878 2.454
93 HB ILE 13 HB ILE 13 -8.608 2.499 3.073
94 HG12 ILE 13 HG12 ILE 13 -9.096 5.482 3.324
95 HG13 ILE 13 HG13 ILE 13 -9.638 4.505 1.958
96 HG21 ILE 13 HG21 ILE 13 -7.194 2.769 4.979
97 HG22 ILE 13 HG22 ILE 13 -8.689 3.617 5.372
98 HG23 ILE 13 HG23 ILE 13 -7.265 4.528 4.870
99 HD11 ILE 13 HD11 ILE 13 -11.371 3.644 3.132
100 HD12 ILE 13 HD12 ILE 13 -11.063 4.930 4.299
101 HD13 ILE 13 HD13 ILE 13 -10.359 3.332 4.543
102 H ALA 14 H ALA 14 -6.405 1.548 1.482
103 HA ALA 14 HA ALA 14 -4.393 1.011 3.504
104 HB1 ALA 14 HB1 ALA 14 -5.243 -1.030 3.038
105 HB2 ALA 14 HB2 ALA 14 -4.160 -0.996 1.646
106 HB3 ALA 14 HB3 ALA 14 -5.848 -0.519 1.462
107 H CYS 15 H CYS 15 -4.532 1.851 0.087
108 HA CYS 15 HA CYS 15 -1.665 1.568 -0.263
109 HB2 CYS 15 HB2 CYS 15 -3.773 2.734 -2.097
110 HB3 CYS 15 HB3 CYS 15 -2.100 2.390 -2.539
111 H THR 16 H THR 16 -3.851 3.961 0.810
112 HA THR 16 HA THR 16 -2.250 6.247 0.061
113 HB THR 16 HB THR 16 -4.465 6.113 2.114
114 HG1 THR 16 HG1 THR 16 -5.824 6.052 0.518
115 HG21 THR 16 HG21 THR 16 -2.773 8.204 1.036
116 HG22 THR 16 HG22 THR 16 -3.948 8.290 2.347
117 HG23 THR 16 HG23 THR 16 -4.470 8.528 0.679
118 H LYS 17 H LYS 17 -2.385 4.002 2.682
119 HA LYS 17 HA LYS 17 -0.823 5.734 4.454
120 HB2 LYS 17 HB2 LYS 17 -2.172 3.062 4.774
121 HB3 LYS 17 HB3 LYS 17 -0.999 3.641 5.958
122 HG2 LYS 17 HG2 LYS 17 -2.336 5.724 6.222
123 HG3 LYS 17 HG3 LYS 17 -3.535 5.068 5.105
124 HD2 LYS 17 HD2 LYS 17 -4.044 3.247 6.596
125 HD3 LYS 17 HD3 LYS 17 -2.687 3.657 7.647
126 HE2 LYS 17 HE2 LYS 17 -4.947 5.591 7.103
127 HE3 LYS 17 HE3 LYS 17 -4.995 4.436 8.436
128 HZ1 LYS 17 HZ1 LYS 17 -2.969 5.365 9.306
129 HZ2 LYS 17 HZ2 LYS 17 -4.112 6.605 9.103
130 HZ3 LYS 17 HZ3 LYS 17 -2.839 6.429 7.992
131 H CYS 18 H CYS 18 -0.424 3.149 2.207
132 HA CYS 18 HA CYS 18 2.078 2.176 3.237
133 HB2 CYS 18 HB2 CYS 18 0.272 1.131 1.532
134 HB3 CYS 18 HB3 CYS 18 1.420 1.795 0.370
135 H ARG 19 H ARG 19 1.101 4.374 0.630
136 HA ARG 19 HA ARG 19 3.770 4.881 -0.271
137 HB2 ARG 19 HB2 ARG 19 2.799 6.425 -1.761
138 HB3 ARG 19 HB3 ARG 19 1.551 5.199 -1.549
139 HG2 ARG 19 HG2 ARG 19 0.296 7.117 -1.198
140 HG3 ARG 19 HG3 ARG 19 0.797 6.757 0.453
141 HD2 ARG 19 HD2 ARG 19 1.763 8.780 0.564
142 HD3 ARG 19 HD3 ARG 19 2.885 8.292 -0.699
143 HE ARG 19 HE ARG 19 1.692 9.630 -2.165
144 HH11 ARG 19 HH21 ARG 19 -0.227 8.816 0.596
145 HH12 ARG 19 HH22 ARG 19 -1.561 9.821 0.139
146 HH21 ARG 19 HH11 ARG 19 -0.058 10.950 -2.773
147 HH22 ARG 19 HH12 ARG 19 -1.465 11.031 -1.767
148 H ASP 20 H ASP 20 1.589 6.391 2.043
149 HA ASP 20 HA ASP 20 2.931 8.821 2.425
150 HB2 ASP 20 HB2 ASP 20 0.666 7.953 3.394
151 HB3 ASP 20 HB3 ASP 20 1.665 7.356 4.719
152 H ARG 21 H ARG 21 3.648 5.594 3.548
153 HA ARG 21 HA ARG 21 5.506 6.338 5.585
154 HB2 ARG 21 HB2 ARG 21 4.485 4.135 5.611
155 HB3 ARG 21 HB3 ARG 21 5.172 3.764 4.029
156 HG2 ARG 21 HG2 ARG 21 7.319 3.515 4.863
157 HG3 ARG 21 HG3 ARG 21 7.029 4.601 6.223
158 HD2 ARG 21 HD2 ARG 21 5.405 2.113 6.140
159 HD3 ARG 21 HD3 ARG 21 7.118 1.921 6.499
160 HE ARG 21 HE ARG 21 5.991 4.009 8.079
161 HH11 ARG 21 HH21 ARG 21 6.129 0.573 7.693
162 HH12 ARG 21 HH22 ARG 21 5.851 0.235 9.368
163 HH21 ARG 21 HH11 ARG 21 5.624 3.573 10.278
164 HH22 ARG 21 HH12 ARG 21 5.564 1.933 10.832
165 H VAL 22 H VAL 22 5.976 5.032 2.291
166 HA VAL 22 HA VAL 22 8.800 5.682 2.355
167 HB VAL 22 HB VAL 22 7.222 4.816 -0.064
168 HG11 VAL 22 HG11 VAL 22 9.968 5.345 0.506
169 HG12 VAL 22 HG12 VAL 22 9.271 4.724 -0.990
170 HG13 VAL 22 HG13 VAL 22 9.801 3.605 0.266
171 HG21 VAL 22 HG21 VAL 22 7.483 2.525 0.610
172 HG22 VAL 22 HG22 VAL 22 6.765 3.368 1.981
173 HG23 VAL 22 HG23 VAL 22 8.485 2.980 1.988
174 H ARG 23 H ARG 23 5.976 7.376 1.719
175 HA ARG 23 HA ARG 23 5.493 9.360 0.655
176 HB2 ARG 23 HB2 ARG 23 8.379 10.121 0.899
177 HB3 ARG 23 HB3 ARG 23 6.936 11.093 1.191
178 HG2 ARG 23 HG2 ARG 23 6.451 9.562 3.166
179 HG3 ARG 23 HG3 ARG 23 8.072 8.903 2.942
180 HD2 ARG 23 HD2 ARG 23 8.798 10.594 4.247
181 HD3 ARG 23 HD3 ARG 23 8.479 11.649 2.873
182 HE ARG 23 HE ARG 23 6.106 11.221 4.406
183 HH11 ARG 23 HH21 ARG 23 9.136 12.890 4.337
184 HH12 ARG 23 HH22 ARG 23 8.587 14.214 5.308
185 HH21 ARG 23 HH11 ARG 23 5.378 12.956 5.681
186 HH22 ARG 23 HH12 ARG 23 6.460 14.252 6.069
187 H THR 24 H THR 24 5.989 7.292 -1.148
188 HA THR 24 HA THR 24 7.122 8.819 -3.393
189 HB THR 24 HB THR 24 7.647 5.878 -3.234
190 HG1 THR 24 HG1 THR 24 8.401 7.392 -1.339
191 HG21 THR 24 HG21 THR 24 9.324 6.359 -4.794
192 HG22 THR 24 HG22 THR 24 9.449 8.042 -4.285
193 HG23 THR 24 HG23 THR 24 8.060 7.509 -5.232
194 H ASP 25 H ASP 25 5.358 9.132 -4.620
195 HA ASP 25 HA ASP 25 3.005 7.749 -4.712
196 HB2 ASP 25 HB2 ASP 25 4.518 9.307 -6.768
197 HB3 ASP 25 HB3 ASP 25 3.083 8.414 -7.270
198 H ASP 26 H ASP 26 6.008 6.963 -6.406
199 HA ASP 26 HA ASP 26 5.124 4.914 -8.066
200 HB2 ASP 26 HB2 ASP 26 7.712 5.537 -6.708
201 HB3 ASP 26 HB3 ASP 26 7.523 3.954 -7.460
202 H TYR 27 H TYR 27 5.625 4.965 -4.614
203 HA TYR 27 HA TYR 27 5.583 2.130 -4.227
204 HB2 TYR 27 HB2 TYR 27 6.330 4.153 -2.645
205 HB3 TYR 27 HB3 TYR 27 4.678 3.954 -2.059
206 HD1 TYR 27 HD2 TYR 27 7.837 2.086 -2.750
207 HD2 TYR 27 HD1 TYR 27 4.104 2.164 -0.627
208 HE1 TYR 27 HE2 TYR 27 8.532 0.089 -1.453
209 HE2 TYR 27 HE1 TYR 27 4.798 0.168 0.670
210 HH TYR 27 HH TYR 27 6.828 -0.980 1.326
211 H PHE 28 H PHE 28 3.147 4.696 -4.185
212 HA PHE 28 HA PHE 28 0.974 3.389 -3.121
213 HB2 PHE 28 HB2 PHE 28 1.039 5.771 -3.862
214 HB3 PHE 28 HB3 PHE 28 0.928 5.215 -5.533
215 HD1 PHE 28 HD2 PHE 28 -0.829 5.446 -2.301
216 HD2 PHE 28 HD1 PHE 28 -1.115 4.280 -6.420
217 HE1 PHE 28 HE2 PHE 28 -3.284 5.254 -2.074
218 HE2 PHE 28 HE1 PHE 28 -3.573 4.086 -6.195
219 HZ PHE 28 HZ PHE 28 -4.664 4.575 -4.021
220 H TYR 29 H TYR 29 1.746 3.580 -6.603
221 HA TYR 29 HA TYR 29 -0.158 1.846 -7.579
222 HB2 TYR 29 HB2 TYR 29 2.148 3.097 -8.582
223 HB3 TYR 29 HB3 TYR 29 2.370 1.380 -8.912
224 HD1 TYR 29 HD2 TYR 29 -0.120 4.153 -9.229
225 HD2 TYR 29 HD1 TYR 29 1.222 0.342 -10.685
226 HE1 TYR 29 HE2 TYR 29 -1.738 4.300 -11.103
227 HE2 TYR 29 HE1 TYR 29 -0.396 0.489 -12.560
228 HH TYR 29 HH TYR 29 -1.731 3.119 -13.631
229 H GLU 30 H GLU 30 2.937 1.068 -6.064
230 HA GLU 30 HA GLU 30 3.018 -1.678 -6.637
231 HB2 GLU 30 HB2 GLU 30 4.720 -0.032 -5.410
232 HB3 GLU 30 HB3 GLU 30 3.970 -0.732 -3.976
233 HG2 GLU 30 HG2 GLU 30 5.552 -2.354 -4.287
234 HG3 GLU 30 HG3 GLU 30 4.363 -2.981 -5.427
235 H CYS 31 H CYS 31 1.090 0.146 -4.402
236 HA CYS 31 HA CYS 31 0.303 -2.175 -2.842
237 HB2 CYS 31 HB2 CYS 31 0.411 -0.102 -1.646
238 HB3 CYS 31 HB3 CYS 31 -0.592 0.713 -2.847
239 H CYS 32 H CYS 32 -0.700 -0.550 -5.699
240 HA CYS 32 HA CYS 32 -3.425 -1.580 -5.611
241 HB2 CYS 32 HB2 CYS 32 -2.389 0.638 -6.756
242 HB3 CYS 32 HB3 CYS 32 -2.331 -0.465 -8.131
243 H THR 33 H THR 33 -0.430 -2.829 -6.329
244 HA THR 33 HA THR 33 -1.621 -5.080 -7.751
245 HB THR 33 HB THR 33 0.879 -4.206 -9.025
246 HG1 THR 33 HG1 THR 33 -1.418 -2.813 -9.788
247 HG21 THR 33 HG21 THR 33 -0.090 -5.185 -10.884
248 HG22 THR 33 HG22 THR 33 -1.719 -4.694 -10.422
249 HG23 THR 33 HG23 THR 33 -0.939 -6.048 -9.602
250 H SER 34 H SER 34 1.100 -5.944 -8.579
251 HA SER 34 HA SER 34 2.586 -7.485 -7.698
252 HB2 SER 34 HB2 SER 34 4.009 -5.654 -7.399
253 HB3 SER 34 HB3 SER 34 2.992 -4.946 -6.148
254 HG SER 34 HG SER 34 4.917 -5.997 -5.357
255 H GLU 35 H GLU 35 1.628 -9.218 -6.803
256 HA GLU 35 HA GLU 35 0.007 -9.192 -4.485
257 HB2 GLU 35 HB2 GLU 35 1.343 -11.291 -6.133
258 HB3 GLU 35 HB3 GLU 35 0.756 -11.741 -4.532
259 HG2 GLU 35 HG2 GLU 35 -0.913 -12.045 -6.431
260 HG3 GLU 35 HG3 GLU 35 -1.482 -11.085 -5.066
261 H SER 36 H SER 36 3.246 -8.612 -4.762
262 HA SER 36 HA SER 36 4.074 -9.958 -2.311
263 HB2 SER 36 HB2 SER 36 5.728 -7.941 -3.797
264 HB3 SER 36 HB3 SER 36 6.257 -9.338 -2.864
265 HG SER 36 HG SER 36 5.421 -9.146 -5.484
266 H THR 37 H THR 37 4.131 -6.583 -3.482
267 HA THR 37 HA THR 37 4.528 -5.452 -0.910
268 HB THR 37 HB THR 37 3.282 -4.090 -3.304
269 HG1 THR 37 HG1 THR 37 5.160 -4.165 -4.218
270 HG21 THR 37 HG21 THR 37 4.743 -3.192 -0.825
271 HG22 THR 37 HG22 THR 37 3.178 -2.652 -1.433
272 HG23 THR 37 HG23 THR 37 4.659 -2.170 -2.260
273 H PHE 38 H PHE 38 1.790 -6.791 -2.412
274 HA PHE 38 HA PHE 38 -0.189 -5.194 -1.036
275 HB2 PHE 38 HB2 PHE 38 -0.538 -6.336 -3.269
276 HB3 PHE 38 HB3 PHE 38 -0.589 -7.864 -2.390
277 HD1 PHE 38 HD1 PHE 38 -2.426 -8.391 -0.865
278 HD2 PHE 38 HD2 PHE 38 -2.310 -4.670 -3.012
279 HE1 PHE 38 HE1 PHE 38 -4.806 -7.989 -0.299
280 HE2 PHE 38 HE2 PHE 38 -4.690 -4.270 -2.445
281 HZ PHE 38 HZ PHE 38 -5.938 -5.929 -1.088
282 H LYS 39 H LYS 39 1.219 -8.431 -0.686
283 HA LYS 39 HA LYS 39 -0.374 -8.999 1.676
284 HB2 LYS 39 HB2 LYS 39 0.559 -10.647 -0.171
285 HB3 LYS 39 HB3 LYS 39 1.978 -10.660 0.878
286 HG2 LYS 39 HG2 LYS 39 0.350 -11.122 2.808
287 HG3 LYS 39 HG3 LYS 39 -0.851 -11.467 1.563
288 HD2 LYS 39 HD2 LYS 39 0.726 -13.141 0.576
289 HD3 LYS 39 HD3 LYS 39 1.818 -12.859 1.932
290 HE2 LYS 39 HE2 LYS 39 0.645 -14.639 2.799
291 HE3 LYS 39 HE3 LYS 39 -0.424 -13.337 3.321
292 HZ1 LYS 39 HZ1 LYS 39 -2.016 -14.309 2.151
293 HZ2 LYS 39 HZ2 LYS 39 -0.932 -15.439 1.490
294 HZ3 LYS 39 HZ3 LYS 39 -1.163 -13.935 0.734
295 H LYS 40 H LYS 40 2.593 -7.468 0.969
296 HA LYS 40 HA LYS 40 3.772 -8.028 3.582
297 HB2 LYS 40 HB2 LYS 40 5.002 -7.741 1.272
298 HB3 LYS 40 HB3 LYS 40 4.892 -6.024 1.662
299 HG2 LYS 40 HG2 LYS 40 5.766 -6.908 4.036
300 HG3 LYS 40 HG3 LYS 40 6.446 -8.178 3.017
301 HD2 LYS 40 HD2 LYS 40 8.104 -6.443 3.163
302 HD3 LYS 40 HD3 LYS 40 7.399 -6.342 1.548
303 HE2 LYS 40 HE2 LYS 40 5.899 -4.760 3.483
304 HE3 LYS 40 HE3 LYS 40 7.586 -4.254 3.388
305 HZ1 LYS 40 HZ1 LYS 40 6.603 -3.057 1.704
306 HZ2 LYS 40 HZ2 LYS 40 5.544 -4.313 1.267
307 HZ3 LYS 40 HZ3 LYS 40 7.192 -4.406 0.862
308 H CYS 41 H CYS 41 2.543 -5.235 1.754
309 HA CYS 41 HA CYS 41 2.943 -3.326 3.811
310 HB2 CYS 41 HB2 CYS 41 2.583 -2.754 1.424
311 HB3 CYS 41 HB3 CYS 41 0.908 -3.282 1.572
312 H GLN 42 H GLN 42 0.454 -5.672 3.202
313 HA GLN 42 HA GLN 42 -1.605 -4.496 4.770
314 HB2 GLN 42 HB2 GLN 42 -1.762 -6.416 3.045
315 HB3 GLN 42 HB3 GLN 42 -1.280 -7.462 4.381
316 HG2 GLN 42 HG2 GLN 42 -3.528 -7.534 4.777
317 HG3 GLN 42 HG3 GLN 42 -3.215 -6.007 5.599
318 HE21 GLN 42 HE21 GLN 42 -4.249 -7.352 2.436
319 HE22 GLN 42 HE22 GLN 42 -5.112 -5.969 1.962
320 H THR 43 H THR 43 1.148 -6.530 5.536
321 HA THR 43 HA THR 43 0.242 -7.125 8.214
322 HB THR 43 HB THR 43 3.089 -7.395 7.304
323 HG1 THR 43 HG1 THR 43 0.867 -9.002 6.593
324 HG21 THR 43 HG21 THR 43 1.349 -9.281 8.897
325 HG22 THR 43 HG22 THR 43 2.227 -7.950 9.651
326 HG23 THR 43 HG23 THR 43 3.110 -9.229 8.818
327 H MET 44 H MET 44 2.327 -4.756 6.671
328 HA MET 44 HA MET 44 3.453 -3.763 9.120
329 HB2 MET 44 HB2 MET 44 3.554 -3.038 6.247
330 HB3 MET 44 HB3 MET 44 3.844 -1.730 7.394
331 HG2 MET 44 HG2 MET 44 5.789 -2.666 8.185
332 HG3 MET 44 HG3 MET 44 5.226 -4.316 7.920
333 HE1 MET 44 HE1 MET 44 6.197 -1.106 6.687
334 HE2 MET 44 HE2 MET 44 5.831 -1.210 4.968
335 HE3 MET 44 HE3 MET 44 7.490 -1.418 5.523
336 H LEU 45 H LEU 45 0.410 -3.514 7.742
337 HA LEU 45 HA LEU 45 -0.168 -0.798 8.564
338 HB2 LEU 45 HB2 LEU 45 -1.699 -3.034 7.304
339 HB3 LEU 45 HB3 LEU 45 -2.596 -1.740 8.100
340 HG LEU 45 HG LEU 45 -0.380 -0.979 6.242
341 HD11 LEU 45 HD11 LEU 45 -1.346 -2.304 4.638
342 HD12 LEU 45 HD12 LEU 45 -2.474 -0.951 4.536
343 HD13 LEU 45 HD13 LEU 45 -2.892 -2.378 5.484
344 HD21 LEU 45 HD21 LEU 45 -1.550 1.025 6.106
345 HD22 LEU 45 HD22 LEU 45 -2.011 0.501 7.727
346 HD23 LEU 45 HD23 LEU 45 -3.112 0.248 6.372
347 H HIS 46 H HIS 46 -1.098 -4.062 9.648
348 HA HIS 46 HA HIS 46 -1.169 -3.221 12.399
349 HB2 HIS 46 HB2 HIS 46 -3.532 -3.639 12.799
350 HB3 HIS 46 HB3 HIS 46 -3.360 -2.377 11.579
351 HD1 HIS 46 HD1 HIS 46 -4.537 -5.885 12.064
352 HD2 HIS 46 HD2 HIS 46 -4.042 -3.207 8.908
353 HE1 HIS 46 HE1 HIS 46 -5.763 -6.878 10.082
354 H GLN 47 H GLN 47 0.446 -4.984 12.124
355 HA GLN 47 HA GLN 47 0.299 -7.515 11.387
356 HB2 GLN 47 HB2 GLN 47 0.913 -7.121 14.295
357 HB3 GLN 47 HB3 GLN 47 1.748 -8.117 13.103
358 HG2 GLN 47 HG2 GLN 47 2.198 -5.775 11.947
359 HG3 GLN 47 HG3 GLN 47 1.951 -5.169 13.584
360 HE21 GLN 47 HE21 GLN 47 4.364 -6.199 11.534
361 HE22 GLN 47 HE22 GLN 47 5.490 -6.737 12.684
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 -10.932 3.773 -14.984
2 H2 ALA 1 H2 ALA 1 -12.210 4.894 -14.971
3 H3 ALA 1 H3 ALA 1 -12.501 3.262 -14.592
4 HA ALA 1 HA ALA 1 -10.564 4.749 -12.971
5 HB1 ALA 1 HB1 ALA 1 -12.973 5.000 -11.610
6 HB2 ALA 1 HB2 ALA 1 -13.397 5.415 -13.271
7 HB3 ALA 1 HB3 ALA 1 -12.120 6.302 -12.440
8 H ASP 2 H ASP 2 -9.666 2.770 -12.413
9 HA ASP 2 HA ASP 2 -11.032 1.277 -10.395
10 HB2 ASP 2 HB2 ASP 2 -10.986 -0.911 -11.602
11 HB3 ASP 2 HB3 ASP 2 -12.157 0.231 -12.260
12 H ASP 3 H ASP 3 -8.501 0.826 -12.883
13 HA ASP 3 HA ASP 3 -6.389 -0.125 -12.650
14 HB2 ASP 3 HB2 ASP 3 -6.651 2.351 -11.121
15 HB3 ASP 3 HB3 ASP 3 -5.341 1.324 -10.536
16 H LYS 4 H LYS 4 -8.473 -1.481 -11.124
17 HA LYS 4 HA LYS 4 -8.552 -3.272 -9.677
18 HB2 LYS 4 HB2 LYS 4 -5.933 -3.245 -10.418
19 HB3 LYS 4 HB3 LYS 4 -5.789 -2.986 -8.678
20 HG2 LYS 4 HG2 LYS 4 -7.564 -4.941 -8.557
21 HG3 LYS 4 HG3 LYS 4 -6.927 -5.333 -10.155
22 HD2 LYS 4 HD2 LYS 4 -4.636 -5.391 -9.220
23 HD3 LYS 4 HD3 LYS 4 -5.288 -5.032 -7.620
24 HE2 LYS 4 HE2 LYS 4 -6.834 -7.145 -8.228
25 HE3 LYS 4 HE3 LYS 4 -5.420 -7.556 -9.197
26 HZ1 LYS 4 HZ1 LYS 4 -5.311 -8.444 -6.925
27 HZ2 LYS 4 HZ2 LYS 4 -5.347 -6.860 -6.312
28 HZ3 LYS 4 HZ3 LYS 4 -4.037 -7.377 -7.261
29 H CYS 5 H CYS 5 -7.027 -0.288 -8.681
30 HA CYS 5 HA CYS 5 -7.700 -0.739 -5.871
31 HB2 CYS 5 HB2 CYS 5 -6.672 1.895 -6.745
32 HB3 CYS 5 HB3 CYS 5 -6.175 0.881 -5.389
33 H GLU 6 H GLU 6 -8.113 2.093 -7.993
34 HA GLU 6 HA GLU 6 -10.112 3.379 -6.647
35 HB2 GLU 6 HB2 GLU 6 -9.733 3.120 -9.635
36 HB3 GLU 6 HB3 GLU 6 -10.840 4.268 -8.880
37 HG2 GLU 6 HG2 GLU 6 -8.853 5.104 -7.527
38 HG3 GLU 6 HG3 GLU 6 -7.832 4.142 -8.595
39 H ASP 7 H ASP 7 -10.337 0.333 -8.176
40 HA ASP 7 HA ASP 7 -13.100 0.323 -8.832
41 HB2 ASP 7 HB2 ASP 7 -11.168 -1.355 -9.449
42 HB3 ASP 7 HB3 ASP 7 -11.679 -2.168 -7.971
43 H SER 8 H SER 8 -11.300 -0.377 -5.889
44 HA SER 8 HA SER 8 -13.878 -0.616 -4.456
45 HB2 SER 8 HB2 SER 8 -11.340 -2.205 -4.096
46 HB3 SER 8 HB3 SER 8 -12.555 -2.082 -2.827
47 HG SER 8 HG SER 8 -13.899 -3.259 -3.986
48 H LEU 9 H LEU 9 -14.071 1.324 -3.494
49 HA LEU 9 HA LEU 9 -12.042 3.061 -2.722
50 HB2 LEU 9 HB2 LEU 9 -14.722 3.224 -2.741
51 HB3 LEU 9 HB3 LEU 9 -14.468 2.972 -1.014
52 HG LEU 9 HG LEU 9 -12.593 4.811 -1.349
53 HD11 LEU 9 HD11 LEU 9 -13.203 4.754 -3.890
54 HD12 LEU 9 HD12 LEU 9 -12.932 6.316 -3.117
55 HD13 LEU 9 HD13 LEU 9 -14.577 5.749 -3.409
56 HD21 LEU 9 HD21 LEU 9 -14.578 6.547 -1.099
57 HD22 LEU 9 HD22 LEU 9 -14.270 5.361 0.168
58 HD23 LEU 9 HD23 LEU 9 -15.559 5.085 -1.001
59 H ARG 10 H ARG 10 -12.627 0.027 -1.509
60 HA ARG 10 HA ARG 10 -11.777 0.638 1.228
61 HB2 ARG 10 HB2 ARG 10 -12.648 -1.931 -0.111
62 HB3 ARG 10 HB3 ARG 10 -12.114 -1.827 1.567
63 HG2 ARG 10 HG2 ARG 10 -14.372 -0.158 0.434
64 HG3 ARG 10 HG3 ARG 10 -14.622 -1.698 1.257
65 HD2 ARG 10 HD2 ARG 10 -12.926 -0.293 2.965
66 HD3 ARG 10 HD3 ARG 10 -14.051 0.932 2.385
67 HE ARG 10 HE ARG 10 -15.335 -1.518 3.238
68 HH11 ARG 10 HH21 ARG 10 -14.056 1.561 4.164
69 HH12 ARG 10 HH22 ARG 10 -15.055 1.708 5.571
70 HH21 ARG 10 HH11 ARG 10 -16.649 -1.332 5.083
71 HH22 ARG 10 HH12 ARG 10 -16.524 0.072 6.090
72 H ARG 11 H ARG 11 -10.475 -0.414 -1.777
73 HA ARG 11 HA ARG 11 -8.098 -1.571 -0.510
74 HB2 ARG 11 HB2 ARG 11 -9.421 -2.382 -2.701
75 HB3 ARG 11 HB3 ARG 11 -8.267 -1.285 -3.461
76 HG2 ARG 11 HG2 ARG 11 -7.047 -3.271 -3.430
77 HG3 ARG 11 HG3 ARG 11 -6.523 -2.520 -1.920
78 HD2 ARG 11 HD2 ARG 11 -8.712 -3.821 -1.030
79 HD3 ARG 11 HD3 ARG 11 -8.262 -4.891 -2.355
80 HE ARG 11 HE ARG 11 -6.166 -4.131 -0.444
81 HH11 ARG 11 HH21 ARG 11 -8.420 -6.444 -1.686
82 HH12 ARG 11 HH22 ARG 11 -7.644 -7.804 -0.946
83 HH21 ARG 11 HH11 ARG 11 -5.141 -5.909 0.528
84 HH22 ARG 11 HH12 ARG 11 -5.788 -7.501 0.308
85 H GLU 12 H GLU 12 -9.187 1.322 -2.074
86 HA GLU 12 HA GLU 12 -6.618 2.332 -2.821
87 HB2 GLU 12 HB2 GLU 12 -8.701 3.158 -3.845
88 HB3 GLU 12 HB3 GLU 12 -9.205 3.815 -2.287
89 HG2 GLU 12 HG2 GLU 12 -6.518 4.687 -2.926
90 HG3 GLU 12 HG3 GLU 12 -7.625 5.098 -4.235
91 H ILE 13 H ILE 13 -8.713 2.723 0.008
92 HA ILE 13 HA ILE 13 -7.189 4.687 1.339
93 HB ILE 13 HB ILE 13 -8.858 2.513 2.617
94 HG12 ILE 13 HG12 ILE 13 -9.784 4.129 0.655
95 HG13 ILE 13 HG13 ILE 13 -10.777 3.629 2.023
96 HG21 ILE 13 HG21 ILE 13 -7.568 3.761 4.234
97 HG22 ILE 13 HG22 ILE 13 -9.230 4.345 4.310
98 HG23 ILE 13 HG23 ILE 13 -8.001 5.291 3.472
99 HD11 ILE 13 HD11 ILE 13 -9.102 6.152 2.023
100 HD12 ILE 13 HD12 ILE 13 -10.328 5.681 3.201
101 HD13 ILE 13 HD13 ILE 13 -10.804 6.116 1.559
102 H ALA 14 H ALA 14 -6.812 1.230 1.041
103 HA ALA 14 HA ALA 14 -4.945 0.982 3.225
104 HB1 ALA 14 HB1 ALA 14 -4.568 -1.305 2.224
105 HB2 ALA 14 HB2 ALA 14 -5.748 -0.878 0.984
106 HB3 ALA 14 HB3 ALA 14 -6.236 -0.957 2.677
107 H CYS 15 H CYS 15 -4.765 1.784 -0.141
108 HA CYS 15 HA CYS 15 -1.876 1.297 -0.231
109 HB2 CYS 15 HB2 CYS 15 -3.858 2.186 -2.335
110 HB3 CYS 15 HB3 CYS 15 -2.125 2.032 -2.621
111 H THR 16 H THR 16 -4.095 3.823 0.388
112 HA THR 16 HA THR 16 -2.393 5.996 -0.448
113 HB THR 16 HB THR 16 -4.592 6.332 1.555
114 HG1 THR 16 HG1 THR 16 -5.458 4.922 0.042
115 HG21 THR 16 HG21 THR 16 -4.255 7.950 -0.925
116 HG22 THR 16 HG22 THR 16 -3.013 8.108 0.317
117 HG23 THR 16 HG23 THR 16 -4.696 8.465 0.703
118 H LYS 17 H LYS 17 -3.006 4.214 2.515
119 HA LYS 17 HA LYS 17 -1.536 6.021 4.205
120 HB2 LYS 17 HB2 LYS 17 -1.837 4.337 5.926
121 HB3 LYS 17 HB3 LYS 17 -3.351 4.529 5.042
122 HG2 LYS 17 HG2 LYS 17 -2.375 2.595 3.539
123 HG3 LYS 17 HG3 LYS 17 -1.391 2.260 4.965
124 HD2 LYS 17 HD2 LYS 17 -4.418 2.377 4.843
125 HD3 LYS 17 HD3 LYS 17 -3.427 0.941 5.107
126 HE2 LYS 17 HE2 LYS 17 -3.773 3.312 6.951
127 HE3 LYS 17 HE3 LYS 17 -4.182 1.627 7.271
128 HZ1 LYS 17 HZ1 LYS 17 -1.426 2.592 6.744
129 HZ2 LYS 17 HZ2 LYS 17 -1.890 1.040 7.260
130 HZ3 LYS 17 HZ3 LYS 17 -2.069 2.373 8.298
131 H CYS 18 H CYS 18 -0.799 3.255 2.225
132 HA CYS 18 HA CYS 18 1.678 2.548 3.428
133 HB2 CYS 18 HB2 CYS 18 0.274 1.949 0.880
134 HB3 CYS 18 HB3 CYS 18 2.024 1.726 0.893
135 H ARG 19 H ARG 19 0.847 4.628 0.659
136 HA ARG 19 HA ARG 19 3.559 5.372 0.124
137 HB2 ARG 19 HB2 ARG 19 2.704 6.681 -1.583
138 HB3 ARG 19 HB3 ARG 19 1.410 5.496 -1.398
139 HG2 ARG 19 HG2 ARG 19 0.263 7.090 0.173
140 HG3 ARG 19 HG3 ARG 19 1.497 8.288 -0.218
141 HD2 ARG 19 HD2 ARG 19 -0.151 6.927 -2.351
142 HD3 ARG 19 HD3 ARG 19 -0.678 8.413 -1.567
143 HE ARG 19 HE ARG 19 1.952 8.806 -2.465
144 HH11 ARG 19 HH21 ARG 19 -1.227 8.211 -3.702
145 HH12 ARG 19 HH22 ARG 19 -0.951 9.045 -5.194
146 HH21 ARG 19 HH11 ARG 19 2.318 9.902 -4.418
147 HH22 ARG 19 HH12 ARG 19 1.056 10.005 -5.599
148 H ASP 20 H ASP 20 0.883 6.838 1.921
149 HA ASP 20 HA ASP 20 2.050 9.318 2.487
150 HB2 ASP 20 HB2 ASP 20 0.027 7.615 3.921
151 HB3 ASP 20 HB3 ASP 20 0.582 9.136 4.619
152 H ARG 21 H ARG 21 2.741 6.158 3.716
153 HA ARG 21 HA ARG 21 3.998 6.936 6.156
154 HB2 ARG 21 HB2 ARG 21 3.170 4.590 5.394
155 HB3 ARG 21 HB3 ARG 21 4.746 4.468 4.610
156 HG2 ARG 21 HG2 ARG 21 5.078 3.538 6.769
157 HG3 ARG 21 HG3 ARG 21 5.737 5.170 6.879
158 HD2 ARG 21 HD2 ARG 21 4.337 5.580 8.587
159 HD3 ARG 21 HD3 ARG 21 2.981 5.388 7.479
160 HE ARG 21 HE ARG 21 3.721 2.819 8.196
161 HH11 ARG 21 HH21 ARG 21 2.719 5.729 9.779
162 HH12 ARG 21 HH22 ARG 21 1.946 4.911 11.095
163 HH21 ARG 21 HH11 ARG 21 2.709 1.739 9.919
164 HH22 ARG 21 HH12 ARG 21 1.941 2.652 11.174
165 H VAL 22 H VAL 22 5.372 5.839 3.047
166 HA VAL 22 HA VAL 22 7.960 6.983 3.783
167 HB VAL 22 HB VAL 22 7.212 5.517 1.246
168 HG11 VAL 22 HG11 VAL 22 9.291 6.394 0.801
169 HG12 VAL 22 HG12 VAL 22 9.803 4.967 1.704
170 HG13 VAL 22 HG13 VAL 22 9.713 6.534 2.508
171 HG21 VAL 22 HG21 VAL 22 6.802 4.298 3.506
172 HG22 VAL 22 HG22 VAL 22 8.559 4.290 3.652
173 HG23 VAL 22 HG23 VAL 22 7.784 3.477 2.293
174 H ARG 23 H ARG 23 5.167 8.084 2.434
175 HA ARG 23 HA ARG 23 4.601 9.797 0.997
176 HB2 ARG 23 HB2 ARG 23 7.220 10.920 2.016
177 HB3 ARG 23 HB3 ARG 23 5.868 11.839 1.353
178 HG2 ARG 23 HG2 ARG 23 4.424 10.961 3.193
179 HG3 ARG 23 HG3 ARG 23 5.841 10.171 3.885
180 HD2 ARG 23 HD2 ARG 23 6.038 13.083 3.255
181 HD3 ARG 23 HD3 ARG 23 5.089 12.611 4.661
182 HE ARG 23 HE ARG 23 7.647 11.318 4.626
183 HH11 ARG 23 HH21 ARG 23 5.978 14.272 5.306
184 HH12 ARG 23 HH22 ARG 23 7.133 14.818 6.475
185 HH21 ARG 23 HH11 ARG 23 9.168 12.026 6.157
186 HH22 ARG 23 HH12 ARG 23 8.941 13.546 6.956
187 H THR 24 H THR 24 5.841 7.682 -0.345
188 HA THR 24 HA THR 24 7.255 9.153 -2.482
189 HB THR 24 HB THR 24 7.920 6.334 -1.607
190 HG1 THR 24 HG1 THR 24 9.940 7.628 -1.045
191 HG21 THR 24 HG21 THR 24 9.617 8.155 -3.287
192 HG22 THR 24 HG22 THR 24 8.296 7.254 -4.032
193 HG23 THR 24 HG23 THR 24 9.605 6.393 -3.222
194 H ASP 25 H ASP 25 5.982 9.125 -4.218
195 HA ASP 25 HA ASP 25 3.716 7.648 -4.664
196 HB2 ASP 25 HB2 ASP 25 5.489 8.213 -7.005
197 HB3 ASP 25 HB3 ASP 25 3.749 8.445 -6.835
198 H ASP 26 H ASP 26 7.048 6.767 -5.483
199 HA ASP 26 HA ASP 26 6.564 4.444 -6.945
200 HB2 ASP 26 HB2 ASP 26 8.801 5.753 -6.015
201 HB3 ASP 26 HB3 ASP 26 8.842 4.237 -5.117
202 H TYR 27 H TYR 27 5.943 5.086 -3.655
203 HA TYR 27 HA TYR 27 5.957 2.243 -2.923
204 HB2 TYR 27 HB2 TYR 27 6.524 4.599 -1.504
205 HB3 TYR 27 HB3 TYR 27 4.986 4.027 -0.859
206 HD1 TYR 27 HD1 TYR 27 4.868 1.401 -0.437
207 HD2 TYR 27 HD2 TYR 27 8.491 3.701 -0.629
208 HE1 TYR 27 HE1 TYR 27 6.055 -0.362 0.840
209 HE2 TYR 27 HE2 TYR 27 9.677 1.938 0.648
210 HH TYR 27 HH TYR 27 8.202 -1.152 1.321
211 H PHE 28 H PHE 28 3.847 4.564 -4.163
212 HA PHE 28 HA PHE 28 1.445 3.638 -2.871
213 HB2 PHE 28 HB2 PHE 28 1.508 5.924 -3.614
214 HB3 PHE 28 HB3 PHE 28 1.951 5.435 -5.250
215 HD1 PHE 28 HD1 PHE 28 -0.638 4.362 -2.758
216 HD2 PHE 28 HD2 PHE 28 0.210 5.659 -6.760
217 HE1 PHE 28 HE1 PHE 28 -3.030 4.125 -3.340
218 HE2 PHE 28 HE2 PHE 28 -2.183 5.422 -7.345
219 HZ PHE 28 HZ PHE 28 -3.810 4.655 -5.637
220 H TYR 29 H TYR 29 3.027 3.200 -6.014
221 HA TYR 29 HA TYR 29 0.966 1.538 -7.098
222 HB2 TYR 29 HB2 TYR 29 3.634 2.482 -7.912
223 HB3 TYR 29 HB3 TYR 29 3.205 0.885 -8.525
224 HD1 TYR 29 HD1 TYR 29 0.619 0.736 -9.321
225 HD2 TYR 29 HD2 TYR 29 3.013 4.299 -9.225
226 HE1 TYR 29 HE1 TYR 29 -0.871 1.782 -11.005
227 HE2 TYR 29 HE2 TYR 29 1.524 5.346 -10.909
228 HH TYR 29 HH TYR 29 -1.470 4.309 -11.608
229 H GLU 30 H GLU 30 3.761 1.025 -5.093
230 HA GLU 30 HA GLU 30 4.144 -1.741 -5.517
231 HB2 GLU 30 HB2 GLU 30 4.904 0.243 -3.448
232 HB3 GLU 30 HB3 GLU 30 4.897 -1.447 -2.940
233 HG2 GLU 30 HG2 GLU 30 6.595 -2.036 -4.386
234 HG3 GLU 30 HG3 GLU 30 6.169 -0.794 -5.561
235 H CYS 31 H CYS 31 1.606 -0.017 -4.062
236 HA CYS 31 HA CYS 31 0.752 -2.268 -2.388
237 HB2 CYS 31 HB2 CYS 31 0.581 -0.043 -1.408
238 HB3 CYS 31 HB3 CYS 31 -0.408 0.503 -2.762
239 H CYS 32 H CYS 32 -0.253 -0.439 -5.243
240 HA CYS 32 HA CYS 32 -2.697 -1.932 -5.582
241 HB2 CYS 32 HB2 CYS 32 -1.240 0.183 -7.113
242 HB3 CYS 32 HB3 CYS 32 -2.459 -0.777 -7.949
243 H THR 33 H THR 33 0.487 -2.720 -6.029
244 HA THR 33 HA THR 33 0.416 -4.073 -8.533
245 HB THR 33 HB THR 33 2.265 -5.237 -6.619
246 HG1 THR 33 HG1 THR 33 3.384 -3.049 -6.596
247 HG21 THR 33 HG21 THR 33 2.681 -3.463 -9.042
248 HG22 THR 33 HG22 THR 33 2.497 -5.216 -9.097
249 HG23 THR 33 HG23 THR 33 3.891 -4.501 -8.287
250 H SER 34 H SER 34 1.348 -6.599 -8.068
251 HA SER 34 HA SER 34 -0.849 -8.204 -7.953
252 HB2 SER 34 HB2 SER 34 0.595 -10.013 -7.800
253 HB3 SER 34 HB3 SER 34 1.688 -8.754 -8.368
254 HG SER 34 HG SER 34 2.707 -9.570 -6.637
255 H GLU 35 H GLU 35 -1.951 -9.397 -6.394
256 HA GLU 35 HA GLU 35 -2.517 -8.181 -3.958
257 HB2 GLU 35 HB2 GLU 35 -2.829 -11.053 -4.850
258 HB3 GLU 35 HB3 GLU 35 -3.461 -10.445 -3.319
259 HG2 GLU 35 HG2 GLU 35 -4.655 -8.645 -4.665
260 HG3 GLU 35 HG3 GLU 35 -4.211 -9.552 -6.111
261 H SER 36 H SER 36 0.182 -10.068 -4.870
262 HA SER 36 HA SER 36 0.883 -11.084 -2.286
263 HB2 SER 36 HB2 SER 36 1.693 -11.838 -4.652
264 HB3 SER 36 HB3 SER 36 2.884 -10.555 -4.463
265 HG SER 36 HG SER 36 2.515 -12.916 -2.988
266 H THR 37 H THR 37 2.227 -8.441 -4.280
267 HA THR 37 HA THR 37 3.956 -7.403 -2.325
268 HB THR 37 HB THR 37 2.589 -5.648 -4.345
269 HG1 THR 37 HG1 THR 37 3.311 -6.862 -5.877
270 HG21 THR 37 HG21 THR 37 4.616 -5.214 -2.559
271 HG22 THR 37 HG22 THR 37 4.410 -4.318 -4.063
272 HG23 THR 37 HG23 THR 37 5.518 -5.688 -3.998
273 H PHE 38 H PHE 38 0.531 -7.136 -2.749
274 HA PHE 38 HA PHE 38 0.079 -4.782 -1.222
275 HB2 PHE 38 HB2 PHE 38 -1.494 -6.307 -2.785
276 HB3 PHE 38 HB3 PHE 38 -1.965 -6.936 -1.206
277 HD1 PHE 38 HD1 PHE 38 -1.681 -4.559 0.517
278 HD2 PHE 38 HD2 PHE 38 -3.273 -4.924 -3.455
279 HE1 PHE 38 HE1 PHE 38 -3.087 -2.551 0.897
280 HE2 PHE 38 HE2 PHE 38 -4.679 -2.917 -3.077
281 HZ PHE 38 HZ PHE 38 -4.587 -1.730 -0.902
282 H LYS 39 H LYS 39 -0.480 -8.201 -0.357
283 HA LYS 39 HA LYS 39 -0.983 -7.861 2.343
284 HB2 LYS 39 HB2 LYS 39 -0.256 -10.057 0.593
285 HB3 LYS 39 HB3 LYS 39 0.496 -10.235 2.178
286 HG2 LYS 39 HG2 LYS 39 -1.688 -11.284 2.259
287 HG3 LYS 39 HG3 LYS 39 -1.751 -9.807 3.221
288 HD2 LYS 39 HD2 LYS 39 -3.292 -8.872 1.861
289 HD3 LYS 39 HD3 LYS 39 -2.389 -9.318 0.412
290 HE2 LYS 39 HE2 LYS 39 -4.641 -10.414 0.548
291 HE3 LYS 39 HE3 LYS 39 -3.308 -11.567 0.468
292 HZ1 LYS 39 HZ1 LYS 39 -3.424 -11.904 2.806
293 HZ2 LYS 39 HZ2 LYS 39 -4.996 -12.082 2.188
294 HZ3 LYS 39 HZ3 LYS 39 -4.556 -10.656 3.000
295 H LYS 40 H LYS 40 1.961 -7.428 0.637
296 HA LYS 40 HA LYS 40 3.712 -7.836 2.892
297 HB2 LYS 40 HB2 LYS 40 4.013 -6.921 0.070
298 HB3 LYS 40 HB3 LYS 40 5.273 -6.478 1.224
299 HG2 LYS 40 HG2 LYS 40 5.632 -8.797 1.819
300 HG3 LYS 40 HG3 LYS 40 4.253 -9.306 0.845
301 HD2 LYS 40 HD2 LYS 40 6.475 -9.658 -0.282
302 HD3 LYS 40 HD3 LYS 40 5.367 -8.636 -1.196
303 HE2 LYS 40 HE2 LYS 40 6.535 -6.669 -0.661
304 HE3 LYS 40 HE3 LYS 40 7.332 -7.411 0.726
305 HZ1 LYS 40 HZ1 LYS 40 7.966 -7.635 -2.124
306 HZ2 LYS 40 HZ2 LYS 40 8.280 -8.973 -1.126
307 HZ3 LYS 40 HZ3 LYS 40 9.007 -7.474 -0.794
308 H CYS 41 H CYS 41 2.003 -5.143 1.437
309 HA CYS 41 HA CYS 41 3.436 -3.088 2.829
310 HB2 CYS 41 HB2 CYS 41 1.718 -3.067 0.729
311 HB3 CYS 41 HB3 CYS 41 0.637 -2.565 2.029
312 H GLN 42 H GLN 42 0.771 -5.185 3.557
313 HA GLN 42 HA GLN 42 -0.260 -3.667 5.764
314 HB2 GLN 42 HB2 GLN 42 -1.536 -5.398 4.420
315 HB3 GLN 42 HB3 GLN 42 -0.598 -6.629 5.268
316 HG2 GLN 42 HG2 GLN 42 -1.461 -5.936 7.400
317 HG3 GLN 42 HG3 GLN 42 -2.198 -4.497 6.699
318 HE21 GLN 42 HE21 GLN 42 -4.161 -4.783 5.408
319 HE22 GLN 42 HE22 GLN 42 -5.047 -6.228 5.471
320 H THR 43 H THR 43 1.822 -6.538 5.458
321 HA THR 43 HA THR 43 2.237 -6.861 8.256
322 HB THR 43 HB THR 43 3.840 -7.822 5.875
323 HG1 THR 43 HG1 THR 43 1.781 -8.869 7.487
324 HG21 THR 43 HG21 THR 43 5.322 -7.828 7.754
325 HG22 THR 43 HG22 THR 43 4.728 -9.480 7.586
326 HG23 THR 43 HG23 THR 43 4.058 -8.425 8.830
327 H MET 44 H MET 44 3.896 -5.064 5.723
328 HA MET 44 HA MET 44 6.187 -4.394 7.307
329 HB2 MET 44 HB2 MET 44 5.092 -3.612 4.654
330 HB3 MET 44 HB3 MET 44 6.205 -2.482 5.428
331 HG2 MET 44 HG2 MET 44 7.991 -3.899 5.235
332 HG3 MET 44 HG3 MET 44 7.006 -5.338 5.495
333 HE1 MET 44 HE1 MET 44 9.358 -4.221 3.436
334 HE2 MET 44 HE2 MET 44 9.015 -5.038 1.913
335 HE3 MET 44 HE3 MET 44 9.035 -5.960 3.414
336 H LEU 45 H LEU 45 3.008 -3.029 6.833
337 HA LEU 45 HA LEU 45 3.376 -0.407 7.680
338 HB2 LEU 45 HB2 LEU 45 1.123 -2.326 7.652
339 HB3 LEU 45 HB3 LEU 45 0.966 -0.978 8.778
340 HG LEU 45 HG LEU 45 1.688 -0.648 5.855
341 HD11 LEU 45 HD11 LEU 45 -0.955 -0.687 7.293
342 HD12 LEU 45 HD12 LEU 45 -0.525 -1.409 5.743
343 HD13 LEU 45 HD13 LEU 45 -0.741 0.336 5.872
344 HD21 LEU 45 HD21 LEU 45 2.318 1.371 6.713
345 HD22 LEU 45 HD22 LEU 45 1.402 1.131 8.200
346 HD23 LEU 45 HD23 LEU 45 0.584 1.694 6.743
347 H HIS 46 H HIS 46 2.818 -3.327 9.627
348 HA HIS 46 HA HIS 46 4.407 -2.484 11.789
349 HB2 HIS 46 HB2 HIS 46 2.557 -0.819 12.054
350 HB3 HIS 46 HB3 HIS 46 1.442 -2.163 12.303
351 HD1 HIS 46 HD1 HIS 46 1.039 -2.518 14.729
352 HD2 HIS 46 HD2 HIS 46 4.968 -1.335 13.998
353 HE1 HIS 46 HE1 HIS 46 2.204 -2.475 16.978
354 H GLN 47 H GLN 47 4.283 -4.835 10.466
355 HA GLN 47 HA GLN 47 4.119 -7.104 10.764
356 HB2 GLN 47 HB2 GLN 47 3.616 -6.359 13.653
357 HB3 GLN 47 HB3 GLN 47 4.161 -7.923 13.049
358 HG2 GLN 47 HG2 GLN 47 5.817 -5.688 12.118
359 HG3 GLN 47 HG3 GLN 47 5.819 -5.871 13.871
360 HE21 GLN 47 HE21 GLN 47 6.110 -7.937 10.920
361 HE22 GLN 47 HE22 GLN 47 7.270 -8.977 11.594
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 -9.245 4.019 -14.674
2 H2 ALA 1 H2 ALA 1 -9.105 2.714 -13.594
3 H3 ALA 1 H3 ALA 1 -9.615 4.233 -13.033
4 HA ALA 1 HA ALA 1 -11.724 3.869 -13.575
5 HB1 ALA 1 HB1 ALA 1 -10.907 2.425 -16.098
6 HB2 ALA 1 HB2 ALA 1 -10.892 4.186 -15.994
7 HB3 ALA 1 HB3 ALA 1 -12.403 3.302 -15.777
8 H ASP 2 H ASP 2 -11.472 2.414 -11.722
9 HA ASP 2 HA ASP 2 -11.676 0.396 -10.636
10 HB2 ASP 2 HB2 ASP 2 -13.116 -0.610 -13.073
11 HB3 ASP 2 HB3 ASP 2 -13.457 -0.927 -11.374
12 H ASP 3 H ASP 3 -9.318 0.746 -12.329
13 HA ASP 3 HA ASP 3 -8.721 -1.556 -13.835
14 HB2 ASP 3 HB2 ASP 3 -6.418 -0.869 -13.673
15 HB3 ASP 3 HB3 ASP 3 -7.409 0.582 -13.830
16 H LYS 4 H LYS 4 -7.694 -0.751 -10.508
17 HA LYS 4 HA LYS 4 -7.976 -3.562 -9.753
18 HB2 LYS 4 HB2 LYS 4 -5.368 -2.052 -9.748
19 HB3 LYS 4 HB3 LYS 4 -5.653 -3.412 -8.661
20 HG2 LYS 4 HG2 LYS 4 -6.339 -4.744 -10.731
21 HG3 LYS 4 HG3 LYS 4 -5.666 -3.421 -11.684
22 HD2 LYS 4 HD2 LYS 4 -3.568 -3.747 -10.133
23 HD3 LYS 4 HD3 LYS 4 -4.255 -5.349 -9.865
24 HE2 LYS 4 HE2 LYS 4 -4.475 -5.210 -12.556
25 HE3 LYS 4 HE3 LYS 4 -3.053 -4.193 -12.322
26 HZ1 LYS 4 HZ1 LYS 4 -3.285 -6.823 -11.001
27 HZ2 LYS 4 HZ2 LYS 4 -1.886 -5.914 -11.323
28 HZ3 LYS 4 HZ3 LYS 4 -2.708 -6.693 -12.591
29 H CYS 5 H CYS 5 -7.230 -0.236 -8.845
30 HA CYS 5 HA CYS 5 -8.068 -0.804 -6.080
31 HB2 CYS 5 HB2 CYS 5 -7.118 1.904 -6.734
32 HB3 CYS 5 HB3 CYS 5 -6.661 0.836 -5.405
33 H GLU 6 H GLU 6 -8.612 1.524 -8.720
34 HA GLU 6 HA GLU 6 -10.651 3.027 -7.594
35 HB2 GLU 6 HB2 GLU 6 -10.306 2.153 -10.471
36 HB3 GLU 6 HB3 GLU 6 -11.404 3.424 -9.936
37 HG2 GLU 6 HG2 GLU 6 -9.684 4.866 -10.117
38 HG3 GLU 6 HG3 GLU 6 -8.945 4.048 -8.743
39 H ASP 7 H ASP 7 -10.649 -0.277 -8.303
40 HA ASP 7 HA ASP 7 -13.488 -0.538 -8.816
41 HB2 ASP 7 HB2 ASP 7 -11.929 -2.135 -9.811
42 HB3 ASP 7 HB3 ASP 7 -11.362 -2.608 -8.211
43 H SER 8 H SER 8 -11.315 -0.672 -6.094
44 HA SER 8 HA SER 8 -13.635 -1.010 -4.308
45 HB2 SER 8 HB2 SER 8 -12.656 -3.176 -4.259
46 HB3 SER 8 HB3 SER 8 -11.022 -2.519 -4.220
47 HG SER 8 HG SER 8 -12.995 -2.558 -2.201
48 H LEU 9 H LEU 9 -13.731 1.003 -3.469
49 HA LEU 9 HA LEU 9 -11.584 2.755 -3.074
50 HB2 LEU 9 HB2 LEU 9 -14.109 3.241 -3.023
51 HB3 LEU 9 HB3 LEU 9 -14.038 2.749 -1.330
52 HG LEU 9 HG LEU 9 -11.953 4.419 -1.325
53 HD11 LEU 9 HD11 LEU 9 -11.968 6.057 -2.935
54 HD12 LEU 9 HD12 LEU 9 -13.719 5.983 -3.141
55 HD13 LEU 9 HD13 LEU 9 -12.691 4.765 -3.894
56 HD21 LEU 9 HD21 LEU 9 -13.692 6.254 -0.750
57 HD22 LEU 9 HD22 LEU 9 -13.724 4.772 0.205
58 HD23 LEU 9 HD23 LEU 9 -14.903 5.015 -1.084
59 H ARG 10 H ARG 10 -13.059 0.394 -0.878
60 HA ARG 10 HA ARG 10 -11.688 1.072 1.463
61 HB2 ARG 10 HB2 ARG 10 -13.584 -0.693 0.993
62 HB3 ARG 10 HB3 ARG 10 -12.222 -1.800 0.814
63 HG2 ARG 10 HG2 ARG 10 -11.429 -1.311 3.031
64 HG3 ARG 10 HG3 ARG 10 -12.575 0.019 3.208
65 HD2 ARG 10 HD2 ARG 10 -13.071 -2.418 4.205
66 HD3 ARG 10 HD3 ARG 10 -14.355 -1.378 3.594
67 HE ARG 10 HE ARG 10 -13.182 -3.089 1.576
68 HH11 ARG 10 HH21 ARG 10 -15.533 -2.763 4.094
69 HH12 ARG 10 HH22 ARG 10 -16.587 -3.983 3.458
70 HH21 ARG 10 HH11 ARG 10 -14.554 -4.688 0.736
71 HH22 ARG 10 HH12 ARG 10 -16.030 -5.074 1.555
72 H ARG 11 H ARG 11 -10.449 -0.103 -1.452
73 HA ARG 11 HA ARG 11 -8.150 -1.436 -0.233
74 HB2 ARG 11 HB2 ARG 11 -9.497 -1.644 -2.717
75 HB3 ARG 11 HB3 ARG 11 -7.876 -1.050 -3.069
76 HG2 ARG 11 HG2 ARG 11 -7.645 -3.408 -3.059
77 HG3 ARG 11 HG3 ARG 11 -7.040 -2.901 -1.484
78 HD2 ARG 11 HD2 ARG 11 -9.903 -3.316 -1.375
79 HD3 ARG 11 HD3 ARG 11 -9.098 -4.756 -1.992
80 HE ARG 11 HE ARG 11 -9.031 -3.821 0.695
81 HH11 ARG 11 HH21 ARG 11 -7.090 -5.224 -1.803
82 HH12 ARG 11 HH22 ARG 11 -6.016 -6.029 -0.706
83 HH21 ARG 11 HH11 ARG 11 -7.626 -4.868 2.138
84 HH22 ARG 11 HH12 ARG 11 -6.319 -5.825 1.525
85 H GLU 12 H GLU 12 -8.898 1.456 -2.146
86 HA GLU 12 HA GLU 12 -6.226 2.377 -2.394
87 HB2 GLU 12 HB2 GLU 12 -8.248 3.140 -3.736
88 HB3 GLU 12 HB3 GLU 12 -8.693 4.117 -2.337
89 HG2 GLU 12 HG2 GLU 12 -7.305 5.715 -3.100
90 HG3 GLU 12 HG3 GLU 12 -5.960 4.629 -2.756
91 H ILE 13 H ILE 13 -8.519 2.464 0.192
92 HA ILE 13 HA ILE 13 -7.447 4.690 1.615
93 HB ILE 13 HB ILE 13 -9.149 2.337 2.438
94 HG12 ILE 13 HG12 ILE 13 -9.961 4.324 0.960
95 HG13 ILE 13 HG13 ILE 13 -10.938 3.868 2.355
96 HG21 ILE 13 HG21 ILE 13 -9.441 4.120 4.464
97 HG22 ILE 13 HG22 ILE 13 -7.738 4.363 4.078
98 HG23 ILE 13 HG23 ILE 13 -8.320 2.760 4.524
99 HD11 ILE 13 HD11 ILE 13 -10.457 5.790 3.487
100 HD12 ILE 13 HD12 ILE 13 -10.109 6.412 1.874
101 HD13 ILE 13 HD13 ILE 13 -8.795 5.839 2.899
102 H ALA 14 H ALA 14 -6.796 1.220 1.614
103 HA ALA 14 HA ALA 14 -4.965 1.358 3.838
104 HB1 ALA 14 HB1 ALA 14 -5.841 -0.761 3.727
105 HB2 ALA 14 HB2 ALA 14 -4.379 -1.012 2.772
106 HB3 ALA 14 HB3 ALA 14 -5.925 -0.750 1.965
107 H CYS 15 H CYS 15 -4.775 1.839 0.428
108 HA CYS 15 HA CYS 15 -1.906 1.375 0.306
109 HB2 CYS 15 HB2 CYS 15 -3.943 2.318 -1.710
110 HB3 CYS 15 HB3 CYS 15 -2.215 2.284 -2.056
111 H THR 16 H THR 16 -4.074 3.992 0.913
112 HA THR 16 HA THR 16 -2.324 6.124 0.157
113 HB THR 16 HB THR 16 -4.494 6.289 2.248
114 HG1 THR 16 HG1 THR 16 -4.695 6.310 -0.580
115 HG21 THR 16 HG21 THR 16 -4.700 8.552 0.922
116 HG22 THR 16 HG22 THR 16 -3.052 8.180 0.417
117 HG23 THR 16 HG23 THR 16 -3.430 8.358 2.130
118 H LYS 17 H LYS 17 -2.837 4.237 3.074
119 HA LYS 17 HA LYS 17 -1.169 5.902 4.730
120 HB2 LYS 17 HB2 LYS 17 -2.462 3.202 5.056
121 HB3 LYS 17 HB3 LYS 17 -1.321 3.819 6.251
122 HG2 LYS 17 HG2 LYS 17 -3.390 4.561 7.071
123 HG3 LYS 17 HG3 LYS 17 -2.787 5.970 6.205
124 HD2 LYS 17 HD2 LYS 17 -4.102 5.254 4.207
125 HD3 LYS 17 HD3 LYS 17 -4.768 3.926 5.159
126 HE2 LYS 17 HE2 LYS 17 -6.289 5.893 5.113
127 HE3 LYS 17 HE3 LYS 17 -5.743 5.516 6.747
128 HZ1 LYS 17 HZ1 LYS 17 -5.490 7.920 5.418
129 HZ2 LYS 17 HZ2 LYS 17 -3.923 7.266 5.466
130 HZ3 LYS 17 HZ3 LYS 17 -4.794 7.495 6.907
131 H CYS 18 H CYS 18 -0.648 3.474 2.396
132 HA CYS 18 HA CYS 18 1.894 2.572 3.488
133 HB2 CYS 18 HB2 CYS 18 0.037 1.632 1.523
134 HB3 CYS 18 HB3 CYS 18 1.620 1.807 0.766
135 H ARG 19 H ARG 19 0.723 4.690 0.909
136 HA ARG 19 HA ARG 19 3.335 5.221 -0.164
137 HB2 ARG 19 HB2 ARG 19 2.257 6.725 -1.626
138 HB3 ARG 19 HB3 ARG 19 1.066 5.455 -1.354
139 HG2 ARG 19 HG2 ARG 19 -0.268 7.293 -0.948
140 HG3 ARG 19 HG3 ARG 19 0.375 7.045 0.674
141 HD2 ARG 19 HD2 ARG 19 1.078 9.188 0.562
142 HD3 ARG 19 HD3 ARG 19 2.326 8.601 -0.531
143 HE ARG 19 HE ARG 19 0.178 9.033 -2.170
144 HH11 ARG 19 HH21 ARG 19 1.893 10.891 0.194
145 HH12 ARG 19 HH22 ARG 19 1.587 12.411 -0.578
146 HH21 ARG 19 HH11 ARG 19 -0.229 11.026 -3.186
147 HH22 ARG 19 HH12 ARG 19 0.386 12.488 -2.488
148 H ASP 20 H ASP 20 1.271 6.673 2.269
149 HA ASP 20 HA ASP 20 2.737 9.117 2.513
150 HB2 ASP 20 HB2 ASP 20 0.313 8.329 3.385
151 HB3 ASP 20 HB3 ASP 20 1.248 8.079 4.858
152 H ARG 21 H ARG 21 3.180 5.899 3.692
153 HA ARG 21 HA ARG 21 4.754 6.486 5.986
154 HB2 ARG 21 HB2 ARG 21 3.709 4.277 5.564
155 HB3 ARG 21 HB3 ARG 21 4.828 4.026 4.225
156 HG2 ARG 21 HG2 ARG 21 6.696 4.487 5.948
157 HG3 ARG 21 HG3 ARG 21 5.451 4.228 7.170
158 HD2 ARG 21 HD2 ARG 21 5.116 1.988 6.531
159 HD3 ARG 21 HD3 ARG 21 5.870 2.230 4.957
160 HE ARG 21 HE ARG 21 7.633 2.610 7.239
161 HH11 ARG 21 HH21 ARG 21 6.325 0.472 4.855
162 HH12 ARG 21 HH22 ARG 21 7.645 -0.647 4.934
163 HH21 ARG 21 HH11 ARG 21 9.368 1.149 7.348
164 HH22 ARG 21 HH12 ARG 21 9.368 -0.264 6.346
165 H VAL 22 H VAL 22 5.619 5.644 2.635
166 HA VAL 22 HA VAL 22 8.408 6.389 3.188
167 HB VAL 22 HB VAL 22 7.309 5.224 0.630
168 HG11 VAL 22 HG11 VAL 22 9.819 6.212 1.382
169 HG12 VAL 22 HG12 VAL 22 9.470 5.199 -0.018
170 HG13 VAL 22 HG13 VAL 22 9.979 4.460 1.500
171 HG21 VAL 22 HG21 VAL 22 8.442 3.104 1.854
172 HG22 VAL 22 HG22 VAL 22 6.725 3.474 2.004
173 HG23 VAL 22 HG23 VAL 22 7.846 3.962 3.274
174 H ARG 23 H ARG 23 5.589 7.781 2.081
175 HA ARG 23 HA ARG 23 5.089 9.634 0.802
176 HB2 ARG 23 HB2 ARG 23 7.831 10.611 1.581
177 HB3 ARG 23 HB3 ARG 23 6.354 11.549 1.354
178 HG2 ARG 23 HG2 ARG 23 5.392 10.124 3.292
179 HG3 ARG 23 HG3 ARG 23 7.072 9.704 3.628
180 HD2 ARG 23 HD2 ARG 23 5.750 12.405 3.743
181 HD3 ARG 23 HD3 ARG 23 6.714 11.598 4.975
182 HE ARG 23 HE ARG 23 7.722 13.105 2.690
183 HH11 ARG 23 HH21 ARG 23 8.317 10.865 5.260
184 HH12 ARG 23 HH22 ARG 23 10.026 11.146 5.295
185 HH21 ARG 23 HH11 ARG 23 9.961 13.480 2.730
186 HH22 ARG 23 HH12 ARG 23 10.957 12.628 3.863
187 H THR 24 H THR 24 5.861 7.665 -0.857
188 HA THR 24 HA THR 24 7.408 9.123 -2.898
189 HB THR 24 HB THR 24 7.763 6.158 -2.594
190 HG1 THR 24 HG1 THR 24 9.638 7.882 -1.485
191 HG21 THR 24 HG21 THR 24 9.996 6.815 -3.600
192 HG22 THR 24 HG22 THR 24 9.354 8.449 -3.765
193 HG23 THR 24 HG23 THR 24 8.597 7.113 -4.632
194 H ASP 25 H ASP 25 6.218 9.314 -4.674
195 HA ASP 25 HA ASP 25 3.727 8.109 -5.082
196 HB2 ASP 25 HB2 ASP 25 4.685 10.176 -6.223
197 HB3 ASP 25 HB3 ASP 25 5.537 9.069 -7.298
198 H ASP 26 H ASP 26 6.562 6.531 -4.947
199 HA ASP 26 HA ASP 26 5.959 4.650 -7.131
200 HB2 ASP 26 HB2 ASP 26 8.318 5.697 -6.597
201 HB3 ASP 26 HB3 ASP 26 8.378 4.417 -5.386
202 H TYR 27 H TYR 27 6.096 4.944 -3.650
203 HA TYR 27 HA TYR 27 5.885 2.114 -3.146
204 HB2 TYR 27 HB2 TYR 27 6.118 4.568 -1.566
205 HB3 TYR 27 HB3 TYR 27 5.029 3.380 -0.847
206 HD1 TYR 27 HD2 TYR 27 8.444 3.780 -2.307
207 HD2 TYR 27 HD1 TYR 27 5.876 1.462 0.241
208 HE1 TYR 27 HE2 TYR 27 10.392 2.437 -1.563
209 HE2 TYR 27 HE1 TYR 27 7.824 0.120 0.983
210 HH TYR 27 HH TYR 27 10.296 -0.393 -0.301
211 H PHE 28 H PHE 28 3.713 4.535 -4.111
212 HA PHE 28 HA PHE 28 1.364 3.533 -2.810
213 HB2 PHE 28 HB2 PHE 28 1.403 5.840 -3.494
214 HB3 PHE 28 HB3 PHE 28 1.783 5.392 -5.157
215 HD1 PHE 28 HD2 PHE 28 -0.791 4.958 -2.493
216 HD2 PHE 28 HD1 PHE 28 0.070 4.945 -6.697
217 HE1 PHE 28 HE2 PHE 28 -3.204 4.729 -2.984
218 HE2 PHE 28 HE1 PHE 28 -2.341 4.715 -7.193
219 HZ PHE 28 HZ PHE 28 -3.988 4.608 -5.338
220 H TYR 29 H TYR 29 2.666 3.336 -6.121
221 HA TYR 29 HA TYR 29 0.620 1.656 -7.133
222 HB2 TYR 29 HB2 TYR 29 3.206 2.690 -8.037
223 HB3 TYR 29 HB3 TYR 29 2.865 1.067 -8.637
224 HD1 TYR 29 HD1 TYR 29 1.478 4.516 -8.378
225 HD2 TYR 29 HD2 TYR 29 1.239 0.698 -10.329
226 HE1 TYR 29 HE1 TYR 29 -0.106 5.462 -10.034
227 HE2 TYR 29 HE2 TYR 29 -0.346 1.642 -11.986
228 HH TYR 29 HH TYR 29 -0.760 4.195 -12.883
229 H GLU 30 H GLU 30 3.503 1.059 -5.280
230 HA GLU 30 HA GLU 30 3.747 -1.727 -5.839
231 HB2 GLU 30 HB2 GLU 30 4.832 0.137 -3.761
232 HB3 GLU 30 HB3 GLU 30 4.993 -1.605 -3.527
233 HG2 GLU 30 HG2 GLU 30 6.083 -1.808 -5.725
234 HG3 GLU 30 HG3 GLU 30 5.912 -0.072 -5.976
235 H CYS 31 H CYS 31 1.501 0.070 -4.038
236 HA CYS 31 HA CYS 31 0.910 -2.031 -2.114
237 HB2 CYS 31 HB2 CYS 31 0.673 0.278 -1.398
238 HB3 CYS 31 HB3 CYS 31 -0.459 0.601 -2.710
239 H CYS 32 H CYS 32 -0.642 -0.557 -4.955
240 HA CYS 32 HA CYS 32 -2.863 -2.414 -4.847
241 HB2 CYS 32 HB2 CYS 32 -2.572 0.093 -5.873
242 HB3 CYS 32 HB3 CYS 32 -2.433 -0.892 -7.330
243 H THR 33 H THR 33 0.274 -2.749 -5.796
244 HA THR 33 HA THR 33 0.176 -3.990 -8.300
245 HB THR 33 HB THR 33 2.064 -5.286 -6.509
246 HG1 THR 33 HG1 THR 33 2.100 -2.456 -6.654
247 HG21 THR 33 HG21 THR 33 3.609 -4.624 -8.174
248 HG22 THR 33 HG22 THR 33 2.619 -3.250 -8.664
249 HG23 THR 33 HG23 THR 33 2.107 -4.891 -9.058
250 H SER 34 H SER 34 1.210 -6.533 -8.003
251 HA SER 34 HA SER 34 -0.982 -8.180 -8.036
252 HB2 SER 34 HB2 SER 34 0.891 -9.916 -7.133
253 HB3 SER 34 HB3 SER 34 0.801 -9.357 -8.801
254 HG SER 34 HG SER 34 2.890 -9.078 -7.920
255 H GLU 35 H GLU 35 -0.883 -10.247 -6.365
256 HA GLU 35 HA GLU 35 -2.067 -9.204 -3.965
257 HB2 GLU 35 HB2 GLU 35 -1.502 -11.987 -4.980
258 HB3 GLU 35 HB3 GLU 35 -2.183 -11.694 -3.379
259 HG2 GLU 35 HG2 GLU 35 -4.093 -11.964 -4.723
260 HG3 GLU 35 HG3 GLU 35 -3.914 -10.212 -4.631
261 H SER 36 H SER 36 0.876 -11.072 -4.695
262 HA SER 36 HA SER 36 1.818 -11.427 -2.101
263 HB2 SER 36 HB2 SER 36 3.707 -10.793 -4.344
264 HB3 SER 36 HB3 SER 36 3.872 -11.978 -3.052
265 HG SER 36 HG SER 36 1.656 -12.418 -4.551
266 H THR 37 H THR 37 2.854 -8.868 -4.372
267 HA THR 37 HA THR 37 4.340 -7.356 -2.577
268 HB THR 37 HB THR 37 2.959 -5.594 -4.374
269 HG1 THR 37 HG1 THR 37 3.423 -8.184 -5.242
270 HG21 THR 37 HG21 THR 37 5.265 -5.572 -5.429
271 HG22 THR 37 HG22 THR 37 5.727 -6.811 -4.263
272 HG23 THR 37 HG23 THR 37 5.233 -5.213 -3.703
273 H PHE 38 H PHE 38 0.882 -7.590 -2.967
274 HA PHE 38 HA PHE 38 0.116 -5.208 -1.665
275 HB2 PHE 38 HB2 PHE 38 -1.218 -7.274 -2.883
276 HB3 PHE 38 HB3 PHE 38 -1.621 -7.530 -1.185
277 HD1 PHE 38 HD1 PHE 38 -1.812 -4.958 0.013
278 HD2 PHE 38 HD2 PHE 38 -2.930 -6.119 -3.967
279 HE1 PHE 38 HE1 PHE 38 -3.423 -3.076 -0.083
280 HE2 PHE 38 HE2 PHE 38 -4.542 -4.236 -4.064
281 HZ PHE 38 HZ PHE 38 -4.788 -2.715 -2.121
282 H LYS 39 H LYS 39 0.096 -8.525 -0.325
283 HA LYS 39 HA LYS 39 -0.360 -7.922 2.320
284 HB2 LYS 39 HB2 LYS 39 1.381 -10.077 1.110
285 HB3 LYS 39 HB3 LYS 39 0.990 -10.003 2.828
286 HG2 LYS 39 HG2 LYS 39 -1.447 -9.663 1.393
287 HG3 LYS 39 HG3 LYS 39 -0.610 -11.042 0.683
288 HD2 LYS 39 HD2 LYS 39 -0.237 -11.856 3.088
289 HD3 LYS 39 HD3 LYS 39 -1.431 -10.646 3.563
290 HE2 LYS 39 HE2 LYS 39 -2.897 -11.719 1.684
291 HE3 LYS 39 HE3 LYS 39 -1.803 -13.092 1.852
292 HZ1 LYS 39 HZ1 LYS 39 -2.340 -12.601 4.397
293 HZ2 LYS 39 HZ2 LYS 39 -3.269 -13.659 3.445
294 HZ3 LYS 39 HZ3 LYS 39 -3.794 -12.064 3.706
295 H LYS 40 H LYS 40 2.710 -7.828 0.561
296 HA LYS 40 HA LYS 40 4.511 -7.442 2.616
297 HB2 LYS 40 HB2 LYS 40 4.455 -7.001 -0.215
298 HB3 LYS 40 HB3 LYS 40 5.203 -5.603 0.557
299 HG2 LYS 40 HG2 LYS 40 6.814 -7.004 1.688
300 HG3 LYS 40 HG3 LYS 40 5.985 -8.468 1.160
301 HD2 LYS 40 HD2 LYS 40 7.457 -8.449 -0.567
302 HD3 LYS 40 HD3 LYS 40 6.434 -7.172 -1.226
303 HE2 LYS 40 HE2 LYS 40 7.833 -5.497 0.020
304 HE3 LYS 40 HE3 LYS 40 8.914 -6.813 0.479
305 HZ1 LYS 40 HZ1 LYS 40 8.662 -5.446 -2.033
306 HZ2 LYS 40 HZ2 LYS 40 8.635 -7.137 -2.197
307 HZ3 LYS 40 HZ3 LYS 40 9.946 -6.375 -1.430
308 H CYS 41 H CYS 41 2.660 -4.916 0.903
309 HA CYS 41 HA CYS 41 3.543 -2.785 2.565
310 HB2 CYS 41 HB2 CYS 41 2.098 -2.985 0.218
311 HB3 CYS 41 HB3 CYS 41 0.892 -2.428 1.378
312 H GLN 42 H GLN 42 0.541 -4.706 2.518
313 HA GLN 42 HA GLN 42 -0.708 -3.433 4.699
314 HB2 GLN 42 HB2 GLN 42 -1.509 -5.299 2.933
315 HB3 GLN 42 HB3 GLN 42 -1.186 -6.338 4.322
316 HG2 GLN 42 HG2 GLN 42 -3.376 -5.735 4.771
317 HG3 GLN 42 HG3 GLN 42 -2.519 -4.450 5.622
318 HE21 GLN 42 HE21 GLN 42 -4.746 -3.340 5.155
319 HE22 GLN 42 HE22 GLN 42 -4.873 -2.500 3.687
320 H THR 43 H THR 43 1.894 -5.694 4.551
321 HA THR 43 HA THR 43 1.622 -6.769 7.189
322 HB THR 43 HB THR 43 4.068 -6.581 5.413
323 HG1 THR 43 HG1 THR 43 1.962 -8.429 5.693
324 HG21 THR 43 HG21 THR 43 4.453 -8.766 6.927
325 HG22 THR 43 HG22 THR 43 3.502 -7.810 8.063
326 HG23 THR 43 HG23 THR 43 5.013 -7.168 7.421
327 H MET 44 H MET 44 3.459 -4.098 5.763
328 HA MET 44 HA MET 44 4.756 -3.389 8.231
329 HB2 MET 44 HB2 MET 44 4.562 -2.194 5.491
330 HB3 MET 44 HB3 MET 44 5.162 -1.208 6.826
331 HG2 MET 44 HG2 MET 44 7.062 -2.489 7.103
332 HG3 MET 44 HG3 MET 44 6.280 -3.961 6.526
333 HE1 MET 44 HE1 MET 44 9.405 -3.025 4.272
334 HE2 MET 44 HE2 MET 44 8.937 -3.601 5.871
335 HE3 MET 44 HE3 MET 44 9.182 -1.877 5.600
336 H LEU 45 H LEU 45 1.630 -3.007 7.074
337 HA LEU 45 HA LEU 45 1.143 -0.442 8.380
338 HB2 LEU 45 HB2 LEU 45 -0.431 -2.273 6.616
339 HB3 LEU 45 HB3 LEU 45 -1.299 -1.142 7.655
340 HG LEU 45 HG LEU 45 1.006 -0.166 5.991
341 HD11 LEU 45 HD11 LEU 45 -0.190 -1.059 4.216
342 HD12 LEU 45 HD12 LEU 45 -0.996 0.499 4.382
343 HD13 LEU 45 HD13 LEU 45 -1.731 -0.952 5.064
344 HD21 LEU 45 HD21 LEU 45 -1.580 1.242 6.627
345 HD22 LEU 45 HD22 LEU 45 0.009 1.939 6.311
346 HD23 LEU 45 HD23 LEU 45 -0.308 1.128 7.844
347 H HIS 46 H HIS 46 0.733 -3.855 8.965
348 HA HIS 46 HA HIS 46 -0.490 -3.202 11.577
349 HB2 HIS 46 HB2 HIS 46 -1.223 -5.367 9.618
350 HB3 HIS 46 HB3 HIS 46 -1.596 -5.518 11.336
351 HD1 HIS 46 HD1 HIS 46 -3.527 -4.872 8.682
352 HD2 HIS 46 HD2 HIS 46 -2.543 -2.381 11.877
353 HE1 HIS 46 HE1 HIS 46 -5.343 -3.112 8.804
354 H GLN 47 H GLN 47 1.823 -5.040 9.755
355 HA GLN 47 HA GLN 47 3.645 -6.274 10.423
356 HB2 GLN 47 HB2 GLN 47 3.430 -4.363 12.336
357 HB3 GLN 47 HB3 GLN 47 3.228 -5.819 13.313
358 HG2 GLN 47 HG2 GLN 47 5.316 -6.729 12.532
359 HG3 GLN 47 HG3 GLN 47 5.480 -5.455 11.324
360 HE21 GLN 47 HE21 GLN 47 7.298 -6.139 13.649
361 HE22 GLN 47 HE22 GLN 47 7.422 -4.699 14.542
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 -9.800 7.396 -11.148
2 H2 ALA 1 H2 ALA 1 -8.671 7.467 -12.415
3 H3 ALA 1 H3 ALA 1 -8.925 6.009 -11.581
4 HA ALA 1 HA ALA 1 -11.331 7.090 -12.717
5 HB1 ALA 1 HB1 ALA 1 -9.309 7.645 -14.330
6 HB2 ALA 1 HB2 ALA 1 -10.804 6.967 -14.978
7 HB3 ALA 1 HB3 ALA 1 -9.409 5.923 -14.701
8 H ASP 2 H ASP 2 -11.265 5.298 -10.836
9 HA ASP 2 HA ASP 2 -11.648 3.111 -10.219
10 HB2 ASP 2 HB2 ASP 2 -12.763 3.005 -13.031
11 HB3 ASP 2 HB3 ASP 2 -13.132 1.875 -11.730
12 H ASP 3 H ASP 3 -9.038 3.661 -11.346
13 HA ASP 3 HA ASP 3 -8.349 1.466 -13.091
14 HB2 ASP 3 HB2 ASP 3 -5.960 2.326 -12.182
15 HB3 ASP 3 HB3 ASP 3 -6.839 3.128 -13.483
16 H LYS 4 H LYS 4 -9.519 0.063 -11.317
17 HA LYS 4 HA LYS 4 -9.260 -1.734 -9.905
18 HB2 LYS 4 HB2 LYS 4 -6.970 -1.762 -11.268
19 HB3 LYS 4 HB3 LYS 4 -6.314 -1.338 -9.687
20 HG2 LYS 4 HG2 LYS 4 -6.322 -3.751 -9.855
21 HG3 LYS 4 HG3 LYS 4 -7.592 -3.287 -8.722
22 HD2 LYS 4 HD2 LYS 4 -9.213 -4.136 -10.045
23 HD3 LYS 4 HD3 LYS 4 -8.552 -3.350 -11.479
24 HE2 LYS 4 HE2 LYS 4 -7.115 -5.141 -11.960
25 HE3 LYS 4 HE3 LYS 4 -7.179 -5.759 -10.309
26 HZ1 LYS 4 HZ1 LYS 4 -9.773 -5.810 -11.146
27 HZ2 LYS 4 HZ2 LYS 4 -8.726 -7.145 -11.056
28 HZ3 LYS 4 HZ3 LYS 4 -8.909 -6.302 -12.520
29 H CYS 5 H CYS 5 -7.876 1.347 -9.217
30 HA CYS 5 HA CYS 5 -7.750 0.767 -6.336
31 HB2 CYS 5 HB2 CYS 5 -6.954 3.337 -7.706
32 HB3 CYS 5 HB3 CYS 5 -6.475 2.762 -6.109
33 H GLU 6 H GLU 6 -8.559 3.834 -7.899
34 HA GLU 6 HA GLU 6 -10.340 4.849 -6.162
35 HB2 GLU 6 HB2 GLU 6 -9.647 5.498 -8.705
36 HB3 GLU 6 HB3 GLU 6 -11.322 5.000 -8.946
37 HG2 GLU 6 HG2 GLU 6 -11.673 6.496 -6.754
38 HG3 GLU 6 HG3 GLU 6 -10.231 7.294 -7.381
39 H ASP 7 H ASP 7 -10.837 2.051 -8.143
40 HA ASP 7 HA ASP 7 -13.631 1.871 -8.160
41 HB2 ASP 7 HB2 ASP 7 -11.834 0.386 -9.315
42 HB3 ASP 7 HB3 ASP 7 -11.883 -0.551 -7.823
43 H SER 8 H SER 8 -11.327 0.399 -5.860
44 HA SER 8 HA SER 8 -13.548 -0.046 -3.983
45 HB2 SER 8 HB2 SER 8 -10.705 -1.080 -4.025
46 HB3 SER 8 HB3 SER 8 -11.863 -1.418 -2.742
47 HG SER 8 HG SER 8 -11.775 -2.312 -5.383
48 H LEU 9 H LEU 9 -13.923 1.791 -2.858
49 HA LEU 9 HA LEU 9 -11.997 3.726 -2.166
50 HB2 LEU 9 HB2 LEU 9 -14.801 3.266 -1.694
51 HB3 LEU 9 HB3 LEU 9 -14.025 3.794 -0.202
52 HG LEU 9 HG LEU 9 -13.646 5.193 -2.861
53 HD11 LEU 9 HD11 LEU 9 -15.143 6.777 -1.037
54 HD12 LEU 9 HD12 LEU 9 -15.924 5.197 -1.104
55 HD13 LEU 9 HD13 LEU 9 -15.676 6.123 -2.584
56 HD21 LEU 9 HD21 LEU 9 -12.083 6.363 -1.737
57 HD22 LEU 9 HD22 LEU 9 -12.354 5.357 -0.315
58 HD23 LEU 9 HD23 LEU 9 -13.289 6.836 -0.541
59 H ARG 10 H ARG 10 -12.159 0.605 -1.146
60 HA ARG 10 HA ARG 10 -11.277 1.138 1.602
61 HB2 ARG 10 HB2 ARG 10 -11.342 -1.630 0.518
62 HB3 ARG 10 HB3 ARG 10 -11.848 -1.023 2.095
63 HG2 ARG 10 HG2 ARG 10 -13.812 0.071 0.982
64 HG3 ARG 10 HG3 ARG 10 -13.341 -0.719 -0.525
65 HD2 ARG 10 HD2 ARG 10 -13.631 -2.909 0.462
66 HD3 ARG 10 HD3 ARG 10 -13.901 -2.206 2.054
67 HE ARG 10 HE ARG 10 -16.060 -1.514 1.340
68 HH11 ARG 10 HH21 ARG 10 -14.224 -3.142 -1.103
69 HH12 ARG 10 HH22 ARG 10 -15.593 -3.455 -2.116
70 HH21 ARG 10 HH11 ARG 10 -17.858 -1.925 0.015
71 HH22 ARG 10 HH12 ARG 10 -17.649 -2.767 -1.483
72 H ARG 11 H ARG 11 -10.164 -0.820 -1.176
73 HA ARG 11 HA ARG 11 -7.601 -1.372 -0.253
74 HB2 ARG 11 HB2 ARG 11 -8.534 -0.906 -3.095
75 HB3 ARG 11 HB3 ARG 11 -6.993 -1.640 -2.649
76 HG2 ARG 11 HG2 ARG 11 -8.140 -3.465 -1.512
77 HG3 ARG 11 HG3 ARG 11 -9.705 -2.706 -1.809
78 HD2 ARG 11 HD2 ARG 11 -9.807 -3.826 -3.758
79 HD3 ARG 11 HD3 ARG 11 -8.450 -2.856 -4.327
80 HE ARG 11 HE ARG 11 -7.541 -5.044 -2.733
81 HH11 ARG 11 HH21 ARG 11 -8.827 -4.181 -5.828
82 HH12 ARG 11 HH22 ARG 11 -8.064 -5.492 -6.664
83 HH21 ARG 11 HH11 ARG 11 -6.538 -6.766 -3.823
84 HH22 ARG 11 HH12 ARG 11 -6.770 -6.957 -5.529
85 H GLU 12 H GLU 12 -8.834 1.474 -1.942
86 HA GLU 12 HA GLU 12 -6.443 2.782 -2.516
87 HB2 GLU 12 HB2 GLU 12 -9.169 3.406 -2.618
88 HB3 GLU 12 HB3 GLU 12 -8.468 4.632 -1.561
89 HG2 GLU 12 HG2 GLU 12 -6.674 4.978 -3.313
90 HG3 GLU 12 HG3 GLU 12 -7.612 3.935 -4.381
91 H ILE 13 H ILE 13 -8.349 2.744 0.471
92 HA ILE 13 HA ILE 13 -6.789 4.615 1.908
93 HB ILE 13 HB ILE 13 -8.460 2.305 2.930
94 HG12 ILE 13 HG12 ILE 13 -9.179 5.239 2.690
95 HG13 ILE 13 HG13 ILE 13 -9.591 4.048 1.456
96 HG21 ILE 13 HG21 ILE 13 -7.192 4.703 4.258
97 HG22 ILE 13 HG22 ILE 13 -7.074 3.007 4.725
98 HG23 ILE 13 HG23 ILE 13 -8.586 3.883 4.960
99 HD11 ILE 13 HD11 ILE 13 -10.956 4.606 3.919
100 HD12 ILE 13 HD12 ILE 13 -10.357 2.948 3.966
101 HD13 ILE 13 HD13 ILE 13 -11.408 3.468 2.649
102 H ALA 14 H ALA 14 -6.510 1.142 1.404
103 HA ALA 14 HA ALA 14 -4.447 0.735 3.353
104 HB1 ALA 14 HB1 ALA 14 -5.610 -0.878 1.107
105 HB2 ALA 14 HB2 ALA 14 -5.583 -1.232 2.834
106 HB3 ALA 14 HB3 ALA 14 -4.111 -1.400 1.878
107 H CYS 15 H CYS 15 -4.548 2.121 0.265
108 HA CYS 15 HA CYS 15 -1.674 1.657 -0.201
109 HB2 CYS 15 HB2 CYS 15 -3.753 2.838 -2.057
110 HB3 CYS 15 HB3 CYS 15 -2.092 2.421 -2.474
111 H THR 16 H THR 16 -3.931 3.967 0.889
112 HA THR 16 HA THR 16 -2.459 6.330 0.154
113 HB THR 16 HB THR 16 -4.582 6.025 2.287
114 HG1 THR 16 HG1 THR 16 -4.937 6.789 -0.410
115 HG21 THR 16 HG21 THR 16 -4.184 8.218 2.582
116 HG22 THR 16 HG22 THR 16 -4.738 8.486 0.930
117 HG23 THR 16 HG23 THR 16 -3.024 8.232 1.255
118 H LYS 17 H LYS 17 -2.497 4.105 2.831
119 HA LYS 17 HA LYS 17 -0.847 5.856 4.497
120 HB2 LYS 17 HB2 LYS 17 -2.050 3.121 4.944
121 HB3 LYS 17 HB3 LYS 17 -1.013 3.934 6.114
122 HG2 LYS 17 HG2 LYS 17 -3.321 5.478 5.015
123 HG3 LYS 17 HG3 LYS 17 -3.677 4.196 6.172
124 HD2 LYS 17 HD2 LYS 17 -1.795 5.270 7.613
125 HD3 LYS 17 HD3 LYS 17 -2.008 6.675 6.569
126 HE2 LYS 17 HE2 LYS 17 -4.196 7.053 7.306
127 HE3 LYS 17 HE3 LYS 17 -4.405 5.389 7.853
128 HZ1 LYS 17 HZ1 LYS 17 -3.369 5.797 9.796
129 HZ2 LYS 17 HZ2 LYS 17 -3.875 7.390 9.497
130 HZ3 LYS 17 HZ3 LYS 17 -2.285 6.918 9.130
131 H CYS 18 H CYS 18 -0.577 3.151 2.352
132 HA CYS 18 HA CYS 18 1.985 2.249 3.293
133 HB2 CYS 18 HB2 CYS 18 0.047 1.478 1.252
134 HB3 CYS 18 HB3 CYS 18 1.714 1.340 0.684
135 H ARG 19 H ARG 19 0.837 4.369 0.695
136 HA ARG 19 HA ARG 19 3.387 4.748 -0.521
137 HB2 ARG 19 HB2 ARG 19 2.329 6.257 -1.912
138 HB3 ARG 19 HB3 ARG 19 0.943 5.312 -1.367
139 HG2 ARG 19 HG2 ARG 19 0.685 7.016 0.517
140 HG3 ARG 19 HG3 ARG 19 1.859 8.010 -0.348
141 HD2 ARG 19 HD2 ARG 19 -0.845 7.081 -1.331
142 HD3 ARG 19 HD3 ARG 19 -0.318 8.738 -1.052
143 HE ARG 19 HE ARG 19 1.287 7.331 -3.002
144 HH11 ARG 19 HH21 ARG 19 -1.579 9.172 -2.404
145 HH12 ARG 19 HH22 ARG 19 -1.704 9.766 -4.026
146 HH21 ARG 19 HH11 ARG 19 1.131 8.104 -5.134
147 HH22 ARG 19 HH12 ARG 19 -0.170 9.160 -5.572
148 H ASP 20 H ASP 20 1.589 6.475 1.994
149 HA ASP 20 HA ASP 20 3.395 8.659 2.235
150 HB2 ASP 20 HB2 ASP 20 1.001 7.712 3.549
151 HB3 ASP 20 HB3 ASP 20 2.185 8.245 4.741
152 H ARG 21 H ARG 21 3.557 5.390 3.190
153 HA ARG 21 HA ARG 21 5.252 5.656 5.468
154 HB2 ARG 21 HB2 ARG 21 3.854 3.606 4.560
155 HB3 ARG 21 HB3 ARG 21 5.351 3.244 3.700
156 HG2 ARG 21 HG2 ARG 21 5.802 2.140 5.673
157 HG3 ARG 21 HG3 ARG 21 6.400 3.741 6.114
158 HD2 ARG 21 HD2 ARG 21 3.906 4.149 6.845
159 HD3 ARG 21 HD3 ARG 21 3.842 2.390 6.909
160 HE ARG 21 HE ARG 21 6.097 2.993 8.321
161 HH11 ARG 21 HH21 ARG 21 2.802 4.048 8.395
162 HH12 ARG 21 HH22 ARG 21 2.798 4.367 10.098
163 HH21 ARG 21 HH11 ARG 21 6.100 3.407 10.553
164 HH22 ARG 21 HH12 ARG 21 4.666 4.003 11.320
165 H VAL 22 H VAL 22 5.834 5.134 2.009
166 HA VAL 22 HA VAL 22 8.731 5.325 2.449
167 HB VAL 22 HB VAL 22 7.226 4.750 -0.113
168 HG11 VAL 22 HG11 VAL 22 9.531 3.691 -0.619
169 HG12 VAL 22 HG12 VAL 22 10.119 4.644 0.744
170 HG13 VAL 22 HG13 VAL 22 9.421 5.451 -0.660
171 HG21 VAL 22 HG21 VAL 22 6.681 2.891 1.174
172 HG22 VAL 22 HG22 VAL 22 8.139 3.018 2.159
173 HG23 VAL 22 HG23 VAL 22 8.236 2.379 0.518
174 H ARG 23 H ARG 23 6.068 7.246 1.562
175 HA ARG 23 HA ARG 23 5.901 9.432 0.869
176 HB2 ARG 23 HB2 ARG 23 8.896 9.652 1.120
177 HB3 ARG 23 HB3 ARG 23 7.677 10.906 1.354
178 HG2 ARG 23 HG2 ARG 23 6.802 9.560 3.309
179 HG3 ARG 23 HG3 ARG 23 8.213 8.516 3.137
180 HD2 ARG 23 HD2 ARG 23 8.018 11.261 4.208
181 HD3 ARG 23 HD3 ARG 23 9.184 9.991 4.570
182 HE ARG 23 HE ARG 23 9.929 10.714 2.086
183 HH11 ARG 23 HH21 ARG 23 9.098 12.534 4.909
184 HH12 ARG 23 HH22 ARG 23 10.149 13.859 4.533
185 HH21 ARG 23 HH11 ARG 23 11.310 12.449 1.586
186 HH22 ARG 23 HH12 ARG 23 11.401 13.810 2.653
187 H THR 24 H THR 24 6.473 7.195 -0.996
188 HA THR 24 HA THR 24 7.457 8.829 -3.253
189 HB THR 24 HB THR 24 8.002 5.880 -2.836
190 HG1 THR 24 HG1 THR 24 10.203 7.269 -2.983
191 HG21 THR 24 HG21 THR 24 9.565 7.406 -4.794
192 HG22 THR 24 HG22 THR 24 7.849 7.313 -5.190
193 HG23 THR 24 HG23 THR 24 8.782 5.835 -4.959
194 H ASP 25 H ASP 25 5.926 9.068 -4.740
195 HA ASP 25 HA ASP 25 3.417 7.864 -4.694
196 HB2 ASP 25 HB2 ASP 25 4.511 8.666 -7.341
197 HB3 ASP 25 HB3 ASP 25 2.973 9.081 -6.583
198 H ASP 26 H ASP 26 6.416 6.755 -6.096
199 HA ASP 26 HA ASP 26 5.300 4.784 -7.827
200 HB2 ASP 26 HB2 ASP 26 7.757 5.815 -7.609
201 HB3 ASP 26 HB3 ASP 26 7.996 4.365 -6.637
202 H TYR 27 H TYR 27 5.587 4.983 -4.448
203 HA TYR 27 HA TYR 27 5.659 2.090 -4.045
204 HB2 TYR 27 HB2 TYR 27 6.557 4.218 -2.534
205 HB3 TYR 27 HB3 TYR 27 5.070 3.753 -1.708
206 HD1 TYR 27 HD2 TYR 27 8.419 2.624 -2.775
207 HD2 TYR 27 HD1 TYR 27 4.836 1.575 -0.651
208 HE1 TYR 27 HE2 TYR 27 9.578 0.668 -1.788
209 HE2 TYR 27 HE1 TYR 27 5.994 -0.381 0.337
210 HH TYR 27 HH TYR 27 8.632 -0.900 0.824
211 H PHE 28 H PHE 28 3.352 4.402 -4.748
212 HA PHE 28 HA PHE 28 1.217 3.341 -3.112
213 HB2 PHE 28 HB2 PHE 28 1.112 5.677 -3.645
214 HB3 PHE 28 HB3 PHE 28 1.300 5.350 -5.368
215 HD1 PHE 28 HD2 PHE 28 -0.987 5.167 -2.485
216 HD2 PHE 28 HD1 PHE 28 -0.530 4.473 -6.697
217 HE1 PHE 28 HE2 PHE 28 -3.439 4.914 -2.708
218 HE2 PHE 28 HE1 PHE 28 -2.980 4.217 -6.921
219 HZ PHE 28 HZ PHE 28 -4.442 4.439 -4.928
220 H TYR 29 H TYR 29 1.819 3.533 -6.628
221 HA TYR 29 HA TYR 29 -0.249 1.919 -7.501
222 HB2 TYR 29 HB2 TYR 29 2.272 2.884 -8.577
223 HB3 TYR 29 HB3 TYR 29 1.894 1.266 -9.171
224 HD1 TYR 29 HD2 TYR 29 0.717 4.766 -8.969
225 HD2 TYR 29 HD1 TYR 29 -0.035 0.854 -10.575
226 HE1 TYR 29 HE2 TYR 29 -0.979 5.723 -10.506
227 HE2 TYR 29 HE1 TYR 29 -1.731 1.809 -12.110
228 HH TYR 29 HH TYR 29 -2.491 5.295 -12.068
229 H GLU 30 H GLU 30 2.812 0.991 -6.054
230 HA GLU 30 HA GLU 30 2.782 -1.750 -6.737
231 HB2 GLU 30 HB2 GLU 30 4.082 -0.131 -4.575
232 HB3 GLU 30 HB3 GLU 30 4.137 -1.892 -4.493
233 HG2 GLU 30 HG2 GLU 30 5.302 -2.067 -6.545
234 HG3 GLU 30 HG3 GLU 30 4.898 -0.417 -7.012
235 H CYS 31 H CYS 31 1.092 0.092 -4.304
236 HA CYS 31 HA CYS 31 0.306 -2.145 -2.689
237 HB2 CYS 31 HB2 CYS 31 0.302 0.006 -1.647
238 HB3 CYS 31 HB3 CYS 31 -0.710 0.692 -2.918
239 H CYS 32 H CYS 32 -1.155 -0.325 -5.346
240 HA CYS 32 HA CYS 32 -3.665 -1.706 -5.254
241 HB2 CYS 32 HB2 CYS 32 -2.649 0.547 -6.559
242 HB3 CYS 32 HB3 CYS 32 -3.002 -0.596 -7.854
243 H THR 33 H THR 33 -0.562 -2.481 -6.463
244 HA THR 33 HA THR 33 -1.693 -4.832 -7.840
245 HB THR 33 HB THR 33 0.702 -3.338 -8.904
246 HG1 THR 33 HG1 THR 33 -0.621 -1.965 -9.741
247 HG21 THR 33 HG21 THR 33 -0.928 -4.806 -10.786
248 HG22 THR 33 HG22 THR 33 -0.458 -5.847 -9.443
249 HG23 THR 33 HG23 THR 33 0.777 -5.021 -10.392
250 H SER 34 H SER 34 1.128 -5.461 -8.667
251 HA SER 34 HA SER 34 2.621 -7.042 -7.842
252 HB2 SER 34 HB2 SER 34 3.880 -5.041 -7.495
253 HB3 SER 34 HB3 SER 34 2.956 -4.633 -6.053
254 HG SER 34 HG SER 34 4.172 -5.934 -4.936
255 H GLU 35 H GLU 35 1.230 -8.677 -7.122
256 HA GLU 35 HA GLU 35 -0.231 -8.822 -4.788
257 HB2 GLU 35 HB2 GLU 35 -0.256 -10.561 -6.532
258 HB3 GLU 35 HB3 GLU 35 1.372 -11.054 -6.063
259 HG2 GLU 35 HG2 GLU 35 -0.047 -11.034 -3.661
260 HG3 GLU 35 HG3 GLU 35 -1.184 -11.711 -4.826
261 H SER 36 H SER 36 3.231 -9.092 -5.226
262 HA SER 36 HA SER 36 3.900 -10.221 -2.725
263 HB2 SER 36 HB2 SER 36 5.672 -8.222 -4.086
264 HB3 SER 36 HB3 SER 36 6.107 -9.714 -3.255
265 HG SER 36 HG SER 36 5.140 -9.296 -5.842
266 H THR 37 H THR 37 4.204 -6.808 -3.740
267 HA THR 37 HA THR 37 4.727 -5.720 -1.239
268 HB THR 37 HB THR 37 3.068 -4.344 -3.352
269 HG1 THR 37 HG1 THR 37 4.712 -4.545 -4.611
270 HG21 THR 37 HG21 THR 37 3.576 -2.438 -2.241
271 HG22 THR 37 HG22 THR 37 5.250 -2.933 -1.988
272 HG23 THR 37 HG23 THR 37 3.988 -3.497 -0.892
273 H PHE 38 H PHE 38 1.632 -6.494 -2.750
274 HA PHE 38 HA PHE 38 -0.187 -5.244 -1.132
275 HB2 PHE 38 HB2 PHE 38 -0.165 -7.576 -2.834
276 HB3 PHE 38 HB3 PHE 38 -1.171 -7.871 -1.418
277 HD1 PHE 38 HD1 PHE 38 -2.383 -5.365 -0.756
278 HD2 PHE 38 HD2 PHE 38 -1.488 -6.954 -4.645
279 HE1 PHE 38 HE1 PHE 38 -4.184 -3.972 -1.741
280 HE2 PHE 38 HE2 PHE 38 -3.286 -5.560 -5.629
281 HZ PHE 38 HZ PHE 38 -4.635 -4.068 -4.178
282 H LYS 39 H LYS 39 1.444 -8.336 -0.461
283 HA LYS 39 HA LYS 39 0.199 -8.791 2.042
284 HB2 LYS 39 HB2 LYS 39 2.246 -10.031 0.409
285 HB3 LYS 39 HB3 LYS 39 2.696 -10.055 2.114
286 HG2 LYS 39 HG2 LYS 39 0.011 -10.965 1.038
287 HG3 LYS 39 HG3 LYS 39 1.342 -12.048 1.443
288 HD2 LYS 39 HD2 LYS 39 1.124 -10.469 3.707
289 HD3 LYS 39 HD3 LYS 39 -0.556 -10.687 3.216
290 HE2 LYS 39 HE2 LYS 39 1.451 -12.934 3.564
291 HE3 LYS 39 HE3 LYS 39 0.218 -12.494 4.745
292 HZ1 LYS 39 HZ1 LYS 39 -0.043 -14.130 2.483
293 HZ2 LYS 39 HZ2 LYS 39 -1.025 -12.761 2.260
294 HZ3 LYS 39 HZ3 LYS 39 -1.219 -13.735 3.638
295 H LYS 40 H LYS 40 3.347 -7.346 1.191
296 HA LYS 40 HA LYS 40 4.278 -6.966 3.816
297 HB2 LYS 40 HB2 LYS 40 4.960 -5.943 1.139
298 HB3 LYS 40 HB3 LYS 40 5.395 -4.874 2.474
299 HG2 LYS 40 HG2 LYS 40 7.264 -6.349 2.116
300 HG3 LYS 40 HG3 LYS 40 6.465 -6.876 3.599
301 HD2 LYS 40 HD2 LYS 40 5.155 -8.524 2.173
302 HD3 LYS 40 HD3 LYS 40 6.244 -8.115 0.846
303 HE2 LYS 40 HE2 LYS 40 8.011 -9.228 1.775
304 HE3 LYS 40 HE3 LYS 40 7.557 -8.782 3.419
305 HZ1 LYS 40 HZ1 LYS 40 7.279 -11.228 2.487
306 HZ2 LYS 40 HZ2 LYS 40 5.778 -10.602 1.998
307 HZ3 LYS 40 HZ3 LYS 40 6.218 -10.575 3.638
308 H CYS 41 H CYS 41 2.054 -5.078 1.861
309 HA CYS 41 HA CYS 41 2.122 -2.702 3.410
310 HB2 CYS 41 HB2 CYS 41 0.426 -3.830 1.284
311 HB3 CYS 41 HB3 CYS 41 -0.404 -2.727 2.380
312 H GLN 42 H GLN 42 0.146 -5.640 3.610
313 HA GLN 42 HA GLN 42 -1.500 -4.622 5.743
314 HB2 GLN 42 HB2 GLN 42 -1.098 -7.481 4.827
315 HB3 GLN 42 HB3 GLN 42 -2.419 -6.877 5.830
316 HG2 GLN 42 HG2 GLN 42 -2.661 -5.177 3.765
317 HG3 GLN 42 HG3 GLN 42 -1.955 -6.545 2.906
318 HE21 GLN 42 HE21 GLN 42 -4.291 -6.435 1.907
319 HE22 GLN 42 HE22 GLN 42 -5.482 -7.354 2.696
320 H THR 43 H THR 43 1.413 -6.562 5.474
321 HA THR 43 HA THR 43 1.528 -7.512 8.133
322 HB THR 43 HB THR 43 4.019 -6.873 6.601
323 HG1 THR 43 HG1 THR 43 3.504 -8.178 5.036
324 HG21 THR 43 HG21 THR 43 4.498 -9.248 7.405
325 HG22 THR 43 HG22 THR 43 3.007 -9.127 8.341
326 HG23 THR 43 HG23 THR 43 4.343 -8.023 8.665
327 H MET 44 H MET 44 2.289 -4.428 6.707
328 HA MET 44 HA MET 44 3.738 -3.534 9.086
329 HB2 MET 44 HB2 MET 44 3.716 -2.800 6.332
330 HB3 MET 44 HB3 MET 44 3.212 -1.393 7.269
331 HG2 MET 44 HG2 MET 44 5.727 -3.034 7.686
332 HG3 MET 44 HG3 MET 44 5.636 -1.378 7.089
333 HE1 MET 44 HE1 MET 44 7.566 -1.699 9.045
334 HE2 MET 44 HE2 MET 44 6.937 -3.076 9.947
335 HE3 MET 44 HE3 MET 44 7.208 -1.542 10.770
336 H LEU 45 H LEU 45 0.620 -3.179 7.525
337 HA LEU 45 HA LEU 45 -0.306 -0.924 8.948
338 HB2 LEU 45 HB2 LEU 45 -1.656 -3.200 7.525
339 HB3 LEU 45 HB3 LEU 45 -2.607 -2.024 8.434
340 HG LEU 45 HG LEU 45 -0.533 -1.082 6.470
341 HD11 LEU 45 HD11 LEU 45 -1.680 -2.209 4.853
342 HD12 LEU 45 HD12 LEU 45 -2.865 -0.918 5.057
343 HD13 LEU 45 HD13 LEU 45 -3.085 -2.458 5.888
344 HD21 LEU 45 HD21 LEU 45 -1.987 0.295 8.229
345 HD22 LEU 45 HD22 LEU 45 -3.209 0.171 6.965
346 HD23 LEU 45 HD23 LEU 45 -1.660 0.941 6.621
347 H HIS 46 H HIS 46 -0.194 -4.343 9.733
348 HA HIS 46 HA HIS 46 -1.732 -3.944 12.187
349 HB2 HIS 46 HB2 HIS 46 -1.574 -6.061 10.491
350 HB3 HIS 46 HB3 HIS 46 -0.396 -6.535 11.714
351 HD1 HIS 46 HD1 HIS 46 -1.575 -5.643 14.291
352 HD2 HIS 46 HD2 HIS 46 -3.956 -7.225 11.257
353 HE1 HIS 46 HE1 HIS 46 -3.693 -6.472 15.403
354 H GLN 47 H GLN 47 1.369 -5.563 11.474
355 HA GLN 47 HA GLN 47 2.638 -4.101 13.671
356 HB2 GLN 47 HB2 GLN 47 3.591 -6.459 14.370
357 HB3 GLN 47 HB3 GLN 47 2.036 -5.905 14.993
358 HG2 GLN 47 HG2 GLN 47 0.887 -7.493 13.857
359 HG3 GLN 47 HG3 GLN 47 1.837 -7.253 12.391
360 HE21 GLN 47 HE21 GLN 47 1.566 -9.161 15.331
361 HE22 GLN 47 HE22 GLN 47 2.826 -10.238 14.966
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 -5.164 1.718 -13.545
2 H2 ALA 1 H2 ALA 1 -5.462 3.230 -12.829
3 H3 ALA 1 H3 ALA 1 -4.897 3.141 -14.428
4 HA ALA 1 HA ALA 1 -7.440 3.509 -13.845
5 HB1 ALA 1 HB1 ALA 1 -6.603 3.629 -16.094
6 HB2 ALA 1 HB2 ALA 1 -7.900 2.435 -16.101
7 HB3 ALA 1 HB3 ALA 1 -6.218 1.907 -16.106
8 H ASP 2 H ASP 2 -8.735 2.455 -12.465
9 HA ASP 2 HA ASP 2 -9.768 0.739 -11.322
10 HB2 ASP 2 HB2 ASP 2 -9.731 -0.679 -13.984
11 HB3 ASP 2 HB3 ASP 2 -10.953 -0.769 -12.716
12 H ASP 3 H ASP 3 -6.702 0.499 -12.173
13 HA ASP 3 HA ASP 3 -6.155 -2.298 -12.070
14 HB2 ASP 3 HB2 ASP 3 -4.532 0.205 -11.803
15 HB3 ASP 3 HB3 ASP 3 -3.819 -1.337 -11.331
16 H LYS 4 H LYS 4 -7.855 -2.321 -10.154
17 HA LYS 4 HA LYS 4 -8.195 -2.949 -7.975
18 HB2 LYS 4 HB2 LYS 4 -5.184 -2.910 -7.713
19 HB3 LYS 4 HB3 LYS 4 -6.337 -3.780 -6.702
20 HG2 LYS 4 HG2 LYS 4 -6.995 -5.187 -8.576
21 HG3 LYS 4 HG3 LYS 4 -5.967 -4.262 -9.672
22 HD2 LYS 4 HD2 LYS 4 -4.052 -5.265 -8.936
23 HD3 LYS 4 HD3 LYS 4 -4.617 -5.353 -7.267
24 HE2 LYS 4 HE2 LYS 4 -5.957 -7.283 -7.726
25 HE3 LYS 4 HE3 LYS 4 -5.744 -7.097 -9.467
26 HZ1 LYS 4 HZ1 LYS 4 -3.245 -7.305 -8.857
27 HZ2 LYS 4 HZ2 LYS 4 -4.204 -8.702 -8.980
28 HZ3 LYS 4 HZ3 LYS 4 -3.832 -8.056 -7.453
29 H CYS 5 H CYS 5 -7.239 -0.061 -8.944
30 HA CYS 5 HA CYS 5 -7.061 1.049 -6.205
31 HB2 CYS 5 HB2 CYS 5 -6.243 2.790 -8.437
32 HB3 CYS 5 HB3 CYS 5 -5.477 2.523 -6.872
33 H GLU 6 H GLU 6 -8.246 1.716 -9.498
34 HA GLU 6 HA GLU 6 -10.145 3.677 -8.464
35 HB2 GLU 6 HB2 GLU 6 -8.765 3.438 -10.852
36 HB3 GLU 6 HB3 GLU 6 -10.404 2.949 -11.281
37 HG2 GLU 6 HG2 GLU 6 -11.302 5.011 -10.308
38 HG3 GLU 6 HG3 GLU 6 -9.686 5.495 -9.799
39 H ASP 7 H ASP 7 -10.032 0.356 -8.962
40 HA ASP 7 HA ASP 7 -12.880 0.088 -9.590
41 HB2 ASP 7 HB2 ASP 7 -10.771 -1.395 -10.383
42 HB3 ASP 7 HB3 ASP 7 -11.249 -2.302 -8.948
43 H SER 8 H SER 8 -10.736 0.044 -6.889
44 HA SER 8 HA SER 8 -12.987 -0.750 -5.152
45 HB2 SER 8 HB2 SER 8 -10.523 -1.514 -3.926
46 HB3 SER 8 HB3 SER 8 -11.877 -2.537 -4.397
47 HG SER 8 HG SER 8 -10.741 -3.185 -6.034
48 H LEU 9 H LEU 9 -13.487 0.965 -3.955
49 HA LEU 9 HA LEU 9 -11.685 3.139 -3.501
50 HB2 LEU 9 HB2 LEU 9 -14.486 2.578 -3.094
51 HB3 LEU 9 HB3 LEU 9 -13.797 3.298 -1.639
52 HG LEU 9 HG LEU 9 -12.749 5.058 -3.153
53 HD11 LEU 9 HD11 LEU 9 -13.809 3.320 -5.139
54 HD12 LEU 9 HD12 LEU 9 -12.962 4.847 -5.383
55 HD13 LEU 9 HD13 LEU 9 -14.718 4.826 -5.237
56 HD21 LEU 9 HD21 LEU 9 -15.700 5.247 -3.525
57 HD22 LEU 9 HD22 LEU 9 -14.580 6.411 -2.819
58 HD23 LEU 9 HD23 LEU 9 -15.126 5.028 -1.871
59 H ARG 10 H ARG 10 -12.296 0.162 -1.906
60 HA ARG 10 HA ARG 10 -11.444 0.980 0.718
61 HB2 ARG 10 HB2 ARG 10 -12.292 -1.518 -0.601
62 HB3 ARG 10 HB3 ARG 10 -11.109 -1.725 0.690
63 HG2 ARG 10 HG2 ARG 10 -13.562 -0.003 1.056
64 HG3 ARG 10 HG3 ARG 10 -13.593 -1.738 1.372
65 HD2 ARG 10 HD2 ARG 10 -11.273 -0.439 2.577
66 HD3 ARG 10 HD3 ARG 10 -12.791 0.234 3.165
67 HE ARG 10 HE ARG 10 -12.519 -2.689 3.148
68 HH11 ARG 10 HH21 ARG 10 -12.542 0.326 4.844
69 HH12 ARG 10 HH22 ARG 10 -12.787 -0.391 6.401
70 HH21 ARG 10 HH11 ARG 10 -12.843 -3.640 5.187
71 HH22 ARG 10 HH12 ARG 10 -12.957 -2.638 6.595
72 H ARG 11 H ARG 11 -9.953 -0.882 -1.930
73 HA ARG 11 HA ARG 11 -7.488 -1.399 -0.739
74 HB2 ARG 11 HB2 ARG 11 -8.358 -1.041 -3.593
75 HB3 ARG 11 HB3 ARG 11 -6.659 -1.308 -3.202
76 HG2 ARG 11 HG2 ARG 11 -7.241 -3.377 -2.009
77 HG3 ARG 11 HG3 ARG 11 -8.949 -3.109 -2.358
78 HD2 ARG 11 HD2 ARG 11 -8.289 -3.075 -4.829
79 HD3 ARG 11 HD3 ARG 11 -6.725 -3.704 -4.316
80 HE ARG 11 HE ARG 11 -8.394 -5.460 -3.164
81 HH11 ARG 11 HH21 ARG 11 -8.321 -4.063 -6.328
82 HH12 ARG 11 HH22 ARG 11 -9.031 -5.440 -7.103
83 HH21 ARG 11 HH11 ARG 11 -9.326 -7.268 -4.172
84 HH22 ARG 11 HH12 ARG 11 -9.602 -7.254 -5.882
85 H GLU 12 H GLU 12 -8.740 1.546 -2.125
86 HA GLU 12 HA GLU 12 -6.254 2.891 -2.469
87 HB2 GLU 12 HB2 GLU 12 -8.521 3.508 -3.477
88 HB3 GLU 12 HB3 GLU 12 -8.898 4.229 -1.912
89 HG2 GLU 12 HG2 GLU 12 -6.779 5.576 -2.106
90 HG3 GLU 12 HG3 GLU 12 -6.604 4.963 -3.749
91 H ILE 13 H ILE 13 -8.742 3.142 0.082
92 HA ILE 13 HA ILE 13 -7.513 4.959 1.750
93 HB ILE 13 HB ILE 13 -9.185 2.539 2.443
94 HG12 ILE 13 HG12 ILE 13 -10.067 5.388 2.680
95 HG13 ILE 13 HG13 ILE 13 -9.956 4.692 1.063
96 HG21 ILE 13 HG21 ILE 13 -8.138 2.987 4.486
97 HG22 ILE 13 HG22 ILE 13 -9.563 4.022 4.574
98 HG23 ILE 13 HG23 ILE 13 -7.997 4.711 4.148
99 HD11 ILE 13 HD11 ILE 13 -11.264 2.959 3.066
100 HD12 ILE 13 HD12 ILE 13 -11.729 3.304 1.399
101 HD13 ILE 13 HD13 ILE 13 -12.141 4.441 2.683
102 H ALA 14 H ALA 14 -6.819 1.526 1.375
103 HA ALA 14 HA ALA 14 -4.960 1.492 3.601
104 HB1 ALA 14 HB1 ALA 14 -6.367 -0.486 2.865
105 HB2 ALA 14 HB2 ALA 14 -4.650 -0.819 3.090
106 HB3 ALA 14 HB3 ALA 14 -5.303 -0.615 1.464
107 H CYS 15 H CYS 15 -4.724 1.180 0.055
108 HA CYS 15 HA CYS 15 -1.924 1.035 -0.095
109 HB2 CYS 15 HB2 CYS 15 -3.987 2.040 -2.060
110 HB3 CYS 15 HB3 CYS 15 -2.273 1.899 -2.451
111 H THR 16 H THR 16 -4.018 3.688 0.570
112 HA THR 16 HA THR 16 -2.173 5.758 -0.222
113 HB THR 16 HB THR 16 -4.580 5.941 1.604
114 HG1 THR 16 HG1 THR 16 -5.723 5.852 -0.140
115 HG21 THR 16 HG21 THR 16 -3.418 7.945 1.881
116 HG22 THR 16 HG22 THR 16 -4.475 8.329 0.521
117 HG23 THR 16 HG23 THR 16 -2.783 7.919 0.236
118 H LYS 17 H LYS 17 -2.939 3.996 2.718
119 HA LYS 17 HA LYS 17 -1.478 5.690 4.495
120 HB2 LYS 17 HB2 LYS 17 -2.494 2.857 4.689
121 HB3 LYS 17 HB3 LYS 17 -1.580 3.619 5.990
122 HG2 LYS 17 HG2 LYS 17 -3.292 5.555 5.777
123 HG3 LYS 17 HG3 LYS 17 -4.277 4.390 4.889
124 HD2 LYS 17 HD2 LYS 17 -4.014 2.806 6.834
125 HD3 LYS 17 HD3 LYS 17 -3.245 4.121 7.722
126 HE2 LYS 17 HE2 LYS 17 -5.212 5.394 7.800
127 HE3 LYS 17 HE3 LYS 17 -5.934 4.535 6.440
128 HZ1 LYS 17 HZ1 LYS 17 -5.587 3.609 9.224
129 HZ2 LYS 17 HZ2 LYS 17 -5.847 2.513 7.953
130 HZ3 LYS 17 HZ3 LYS 17 -7.013 3.697 8.309
131 H CYS 18 H CYS 18 -0.658 3.002 2.421
132 HA CYS 18 HA CYS 18 1.825 2.318 3.613
133 HB2 CYS 18 HB2 CYS 18 0.409 1.733 1.090
134 HB3 CYS 18 HB3 CYS 18 2.168 1.650 0.998
135 H ARG 19 H ARG 19 1.153 4.191 0.645
136 HA ARG 19 HA ARG 19 3.793 5.080 0.256
137 HB2 ARG 19 HB2 ARG 19 2.887 6.601 -1.343
138 HB3 ARG 19 HB3 ARG 19 1.882 5.153 -1.411
139 HG2 ARG 19 HG2 ARG 19 0.164 6.632 -1.186
140 HG3 ARG 19 HG3 ARG 19 0.591 6.571 0.525
141 HD2 ARG 19 HD2 ARG 19 0.698 8.850 0.214
142 HD3 ARG 19 HD3 ARG 19 2.349 8.432 -0.236
143 HE ARG 19 HE ARG 19 1.833 9.216 -2.343
144 HH11 ARG 19 HH21 ARG 19 -1.011 8.018 -0.780
145 HH12 ARG 19 HH22 ARG 19 -2.068 8.410 -2.095
146 HH21 ARG 19 HH11 ARG 19 0.454 9.732 -4.074
147 HH22 ARG 19 HH12 ARG 19 -1.239 9.381 -3.960
148 H ASP 20 H ASP 20 1.185 6.303 2.255
149 HA ASP 20 HA ASP 20 2.120 8.895 2.749
150 HB2 ASP 20 HB2 ASP 20 0.410 6.956 4.245
151 HB3 ASP 20 HB3 ASP 20 0.982 8.396 5.085
152 H ARG 21 H ARG 21 3.134 5.797 4.032
153 HA ARG 21 HA ARG 21 4.691 6.817 6.196
154 HB2 ARG 21 HB2 ARG 21 3.884 4.458 6.023
155 HB3 ARG 21 HB3 ARG 21 5.036 4.202 4.712
156 HG2 ARG 21 HG2 ARG 21 6.906 4.618 6.154
157 HG3 ARG 21 HG3 ARG 21 5.859 5.213 7.443
158 HD2 ARG 21 HD2 ARG 21 5.849 2.382 6.362
159 HD3 ARG 21 HD3 ARG 21 6.620 2.887 7.860
160 HE ARG 21 HE ARG 21 3.700 3.094 7.386
161 HH11 ARG 21 HH21 ARG 21 6.460 2.470 9.406
162 HH12 ARG 21 HH22 ARG 21 5.510 2.124 10.810
163 HH21 ARG 21 HH11 ARG 21 2.474 2.641 9.228
164 HH22 ARG 21 HH12 ARG 21 3.263 2.218 10.712
165 H VAL 22 H VAL 22 5.664 5.454 3.037
166 HA VAL 22 HA VAL 22 8.356 6.439 3.294
167 HB VAL 22 HB VAL 22 7.219 5.639 0.650
168 HG11 VAL 22 HG11 VAL 22 9.699 6.217 1.372
169 HG12 VAL 22 HG12 VAL 22 9.385 4.886 0.259
170 HG13 VAL 22 HG13 VAL 22 9.690 4.556 1.963
171 HG21 VAL 22 HG21 VAL 22 7.468 3.884 3.093
172 HG22 VAL 22 HG22 VAL 22 7.663 3.213 1.475
173 HG23 VAL 22 HG23 VAL 22 6.141 3.976 1.935
174 H ARG 23 H ARG 23 5.369 7.699 2.190
175 HA ARG 23 HA ARG 23 4.766 9.713 1.280
176 HB2 ARG 23 HB2 ARG 23 7.508 10.818 1.684
177 HB3 ARG 23 HB3 ARG 23 5.939 11.559 1.998
178 HG2 ARG 23 HG2 ARG 23 5.859 9.470 3.743
179 HG3 ARG 23 HG3 ARG 23 7.587 9.820 3.738
180 HD2 ARG 23 HD2 ARG 23 7.209 12.107 4.370
181 HD3 ARG 23 HD3 ARG 23 5.473 11.952 4.115
182 HE ARG 23 HE ARG 23 6.218 10.056 6.041
183 HH11 ARG 23 HH21 ARG 23 6.124 13.485 5.587
184 HH12 ARG 23 HH22 ARG 23 5.889 13.839 7.266
185 HH21 ARG 23 HH11 ARG 23 5.911 10.513 8.243
186 HH22 ARG 23 HH12 ARG 23 5.770 12.157 8.770
187 H THR 24 H THR 24 5.593 7.765 -0.547
188 HA THR 24 HA THR 24 6.763 9.479 -2.647
189 HB THR 24 HB THR 24 7.351 6.528 -2.443
190 HG1 THR 24 HG1 THR 24 9.500 7.742 -1.840
191 HG21 THR 24 HG21 THR 24 7.592 7.713 -4.637
192 HG22 THR 24 HG22 THR 24 9.114 7.069 -4.020
193 HG23 THR 24 HG23 THR 24 8.762 8.792 -3.878
194 H ASP 25 H ASP 25 5.728 9.422 -4.570
195 HA ASP 25 HA ASP 25 3.137 8.279 -4.734
196 HB2 ASP 25 HB2 ASP 25 4.166 10.317 -5.995
197 HB3 ASP 25 HB3 ASP 25 4.703 9.106 -7.157
198 H ASP 26 H ASP 26 6.304 7.147 -5.625
199 HA ASP 26 HA ASP 26 5.466 5.108 -7.441
200 HB2 ASP 26 HB2 ASP 26 8.000 5.457 -5.826
201 HB3 ASP 26 HB3 ASP 26 7.765 4.193 -7.033
202 H TYR 27 H TYR 27 6.013 5.252 -3.958
203 HA TYR 27 HA TYR 27 5.873 2.471 -3.449
204 HB2 TYR 27 HB2 TYR 27 5.970 4.918 -1.903
205 HB3 TYR 27 HB3 TYR 27 4.819 3.782 -1.201
206 HD1 TYR 27 HD1 TYR 27 5.538 1.573 -0.414
207 HD2 TYR 27 HD2 TYR 27 8.345 4.383 -2.048
208 HE1 TYR 27 HE1 TYR 27 7.413 0.233 0.503
209 HE2 TYR 27 HE2 TYR 27 10.219 3.044 -1.131
210 HH TYR 27 HH TYR 27 10.773 1.348 0.228
211 H PHE 28 H PHE 28 3.469 4.814 -4.229
212 HA PHE 28 HA PHE 28 1.232 3.495 -3.053
213 HB2 PHE 28 HB2 PHE 28 1.163 5.871 -3.601
214 HB3 PHE 28 HB3 PHE 28 1.406 5.504 -5.309
215 HD1 PHE 28 HD1 PHE 28 -0.915 5.094 -2.448
216 HD2 PHE 28 HD2 PHE 28 -0.381 4.759 -6.692
217 HE1 PHE 28 HE1 PHE 28 -3.349 4.755 -2.725
218 HE2 PHE 28 HE2 PHE 28 -2.815 4.422 -6.974
219 HZ PHE 28 HZ PHE 28 -4.309 4.418 -4.990
220 H TYR 29 H TYR 29 2.494 3.677 -6.386
221 HA TYR 29 HA TYR 29 0.594 1.939 -7.538
222 HB2 TYR 29 HB2 TYR 29 3.200 3.093 -8.316
223 HB3 TYR 29 HB3 TYR 29 2.780 1.575 -9.113
224 HD1 TYR 29 HD2 TYR 29 0.276 1.417 -9.971
225 HD2 TYR 29 HD1 TYR 29 2.374 5.085 -9.205
226 HE1 TYR 29 HE2 TYR 29 -1.305 2.629 -11.448
227 HE2 TYR 29 HE1 TYR 29 0.794 6.298 -10.683
228 HH TYR 29 HH TYR 29 -0.798 5.373 -12.822
229 H GLU 30 H GLU 30 3.118 1.325 -5.367
230 HA GLU 30 HA GLU 30 3.716 -1.365 -6.238
231 HB2 GLU 30 HB2 GLU 30 5.166 0.338 -4.826
232 HB3 GLU 30 HB3 GLU 30 4.309 -0.399 -3.472
233 HG2 GLU 30 HG2 GLU 30 6.229 -1.749 -3.714
234 HG3 GLU 30 HG3 GLU 30 4.970 -2.660 -4.545
235 H CYS 31 H CYS 31 1.461 0.186 -4.085
236 HA CYS 31 HA CYS 31 0.763 -2.206 -2.638
237 HB2 CYS 31 HB2 CYS 31 0.480 -0.025 -1.588
238 HB3 CYS 31 HB3 CYS 31 -0.633 0.470 -2.864
239 H CYS 32 H CYS 32 -0.604 -0.381 -5.354
240 HA CYS 32 HA CYS 32 -2.942 -2.025 -5.577
241 HB2 CYS 32 HB2 CYS 32 -2.132 0.409 -6.627
242 HB3 CYS 32 HB3 CYS 32 -2.139 -0.664 -8.026
243 H THR 33 H THR 33 0.213 -2.767 -6.106
244 HA THR 33 HA THR 33 0.183 -4.069 -8.620
245 HB THR 33 HB THR 33 1.864 -5.211 -6.458
246 HG1 THR 33 HG1 THR 33 1.526 -2.577 -6.748
247 HG21 THR 33 HG21 THR 33 1.949 -5.557 -9.043
248 HG22 THR 33 HG22 THR 33 3.461 -5.327 -8.166
249 HG23 THR 33 HG23 THR 33 2.745 -3.983 -9.057
250 H SER 34 H SER 34 1.191 -6.663 -7.714
251 HA SER 34 HA SER 34 -1.240 -8.127 -7.788
252 HB2 SER 34 HB2 SER 34 1.467 -8.705 -8.145
253 HB3 SER 34 HB3 SER 34 1.002 -9.645 -6.731
254 HG SER 34 HG SER 34 0.521 -10.842 -8.547
255 H GLU 35 H GLU 35 -1.122 -10.134 -6.001
256 HA GLU 35 HA GLU 35 -2.007 -8.848 -3.568
257 HB2 GLU 35 HB2 GLU 35 -1.790 -11.767 -4.343
258 HB3 GLU 35 HB3 GLU 35 -2.508 -11.180 -2.842
259 HG2 GLU 35 HG2 GLU 35 -3.635 -9.711 -5.034
260 HG3 GLU 35 HG3 GLU 35 -3.756 -11.434 -5.386
261 H SER 36 H SER 36 0.702 -10.874 -4.587
262 HA SER 36 HA SER 36 1.874 -11.538 -2.192
263 HB2 SER 36 HB2 SER 36 4.091 -11.084 -3.562
264 HB3 SER 36 HB3 SER 36 3.012 -12.406 -4.000
265 HG SER 36 HG SER 36 3.750 -10.771 -5.674
266 H THR 37 H THR 37 2.162 -8.461 -3.944
267 HA THR 37 HA THR 37 3.877 -7.306 -1.920
268 HB THR 37 HB THR 37 3.167 -5.176 -3.364
269 HG1 THR 37 HG1 THR 37 2.104 -7.356 -4.627
270 HG21 THR 37 HG21 THR 37 4.915 -6.299 -5.117
271 HG22 THR 37 HG22 THR 37 5.151 -7.343 -3.716
272 HG23 THR 37 HG23 THR 37 5.397 -5.603 -3.570
273 H PHE 38 H PHE 38 0.468 -7.268 -2.756
274 HA PHE 38 HA PHE 38 -0.347 -5.066 -1.202
275 HB2 PHE 38 HB2 PHE 38 -1.655 -6.530 -2.939
276 HB3 PHE 38 HB3 PHE 38 -2.088 -7.486 -1.521
277 HD1 PHE 38 HD1 PHE 38 -3.042 -6.208 0.524
278 HD2 PHE 38 HD2 PHE 38 -2.829 -4.551 -3.433
279 HE1 PHE 38 HE1 PHE 38 -4.763 -4.530 1.134
280 HE2 PHE 38 HE2 PHE 38 -4.550 -2.873 -2.823
281 HZ PHE 38 HZ PHE 38 -5.516 -2.863 -0.539
282 H LYS 39 H LYS 39 0.390 -8.381 -0.352
283 HA LYS 39 HA LYS 39 -0.803 -8.258 2.261
284 HB2 LYS 39 HB2 LYS 39 0.431 -10.249 0.603
285 HB3 LYS 39 HB3 LYS 39 1.194 -10.270 2.192
286 HG2 LYS 39 HG2 LYS 39 -1.808 -10.259 1.803
287 HG3 LYS 39 HG3 LYS 39 -0.864 -11.739 1.978
288 HD2 LYS 39 HD2 LYS 39 0.073 -10.669 4.131
289 HD3 LYS 39 HD3 LYS 39 -1.264 -9.528 3.994
290 HE2 LYS 39 HE2 LYS 39 -2.874 -11.385 3.994
291 HE3 LYS 39 HE3 LYS 39 -1.549 -12.545 4.089
292 HZ1 LYS 39 HZ1 LYS 39 -2.599 -10.747 6.138
293 HZ2 LYS 39 HZ2 LYS 39 -0.927 -11.053 6.149
294 HZ3 LYS 39 HZ3 LYS 39 -2.031 -12.338 6.283
295 H LYS 40 H LYS 40 2.472 -7.900 0.956
296 HA LYS 40 HA LYS 40 3.850 -7.727 3.400
297 HB2 LYS 40 HB2 LYS 40 4.415 -7.269 0.606
298 HB3 LYS 40 HB3 LYS 40 5.138 -5.994 1.586
299 HG2 LYS 40 HG2 LYS 40 5.444 -8.954 2.166
300 HG3 LYS 40 HG3 LYS 40 6.632 -7.992 1.286
301 HD2 LYS 40 HD2 LYS 40 6.143 -6.468 3.551
302 HD3 LYS 40 HD3 LYS 40 6.112 -8.121 4.164
303 HE2 LYS 40 HE2 LYS 40 8.325 -6.961 2.446
304 HE3 LYS 40 HE3 LYS 40 8.405 -7.145 4.198
305 HZ1 LYS 40 HZ1 LYS 40 8.454 -9.426 4.047
306 HZ2 LYS 40 HZ2 LYS 40 9.362 -8.982 2.681
307 HZ3 LYS 40 HZ3 LYS 40 7.741 -9.462 2.509
308 H CYS 41 H CYS 41 2.432 -5.170 1.366
309 HA CYS 41 HA CYS 41 3.190 -2.908 2.698
310 HB2 CYS 41 HB2 CYS 41 1.218 -3.561 0.817
311 HB3 CYS 41 HB3 CYS 41 0.353 -2.765 2.132
312 H GLN 42 H GLN 42 0.482 -5.047 3.565
313 HA GLN 42 HA GLN 42 -0.275 -3.535 5.870
314 HB2 GLN 42 HB2 GLN 42 -1.236 -5.826 4.451
315 HB3 GLN 42 HB3 GLN 42 -1.083 -6.250 6.156
316 HG2 GLN 42 HG2 GLN 42 -2.298 -4.075 6.679
317 HG3 GLN 42 HG3 GLN 42 -2.649 -3.955 4.957
318 HE21 GLN 42 HE21 GLN 42 -4.392 -4.587 7.478
319 HE22 GLN 42 HE22 GLN 42 -5.260 -5.965 7.003
320 H THR 43 H THR 43 1.624 -6.496 5.372
321 HA THR 43 HA THR 43 2.138 -7.089 8.066
322 HB THR 43 HB THR 43 4.082 -7.567 5.804
323 HG1 THR 43 HG1 THR 43 2.041 -9.353 6.504
324 HG21 THR 43 HG21 THR 43 4.284 -9.750 7.186
325 HG22 THR 43 HG22 THR 43 3.464 -8.848 8.461
326 HG23 THR 43 HG23 THR 43 5.018 -8.288 7.844
327 H MET 44 H MET 44 3.449 -4.668 5.955
328 HA MET 44 HA MET 44 5.751 -4.120 7.638
329 HB2 MET 44 HB2 MET 44 5.630 -3.825 5.087
330 HB3 MET 44 HB3 MET 44 4.707 -2.361 5.425
331 HG2 MET 44 HG2 MET 44 6.625 -1.255 5.817
332 HG3 MET 44 HG3 MET 44 6.973 -2.353 7.151
333 HE1 MET 44 HE1 MET 44 9.049 -0.904 5.707
334 HE2 MET 44 HE2 MET 44 8.476 -0.932 4.042
335 HE3 MET 44 HE3 MET 44 9.989 -1.732 4.458
336 H LEU 45 H LEU 45 2.458 -3.198 7.453
337 HA LEU 45 HA LEU 45 2.764 -0.623 8.729
338 HB2 LEU 45 HB2 LEU 45 0.500 -2.311 7.789
339 HB3 LEU 45 HB3 LEU 45 0.161 -1.138 9.063
340 HG LEU 45 HG LEU 45 1.534 -0.481 6.440
341 HD11 LEU 45 HD11 LEU 45 -1.316 -0.531 7.295
342 HD12 LEU 45 HD12 LEU 45 -0.620 -0.739 5.689
343 HD13 LEU 45 HD13 LEU 45 -0.797 0.878 6.370
344 HD21 LEU 45 HD21 LEU 45 1.156 0.927 8.969
345 HD22 LEU 45 HD22 LEU 45 0.455 1.814 7.615
346 HD23 LEU 45 HD23 LEU 45 2.160 1.365 7.586
347 H HIS 46 H HIS 46 2.501 -3.910 9.730
348 HA HIS 46 HA HIS 46 1.850 -3.107 12.490
349 HB2 HIS 46 HB2 HIS 46 1.701 -5.720 11.004
350 HB3 HIS 46 HB3 HIS 46 1.686 -5.671 12.768
351 HD1 HIS 46 HD1 HIS 46 -0.312 -4.353 13.903
352 HD2 HIS 46 HD2 HIS 46 -0.694 -4.891 9.786
353 HE1 HIS 46 HE1 HIS 46 -2.723 -3.825 13.332
354 H GLN 47 H GLN 47 3.972 -5.527 10.928
355 HA GLN 47 HA GLN 47 5.732 -5.787 13.110
356 HB2 GLN 47 HB2 GLN 47 6.416 -6.200 10.192
357 HB3 GLN 47 HB3 GLN 47 7.201 -6.942 11.587
358 HG2 GLN 47 HG2 GLN 47 4.732 -7.759 12.116
359 HG3 GLN 47 HG3 GLN 47 4.527 -7.532 10.380
360 HE21 GLN 47 HE21 GLN 47 6.789 -8.434 9.213
361 HE22 GLN 47 HE22 GLN 47 7.147 -10.029 9.670
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 -5.925 5.541 -14.543
2 H2 ALA 1 H2 ALA 1 -6.066 7.233 -14.599
3 H3 ALA 1 H3 ALA 1 -7.215 6.255 -15.379
4 HA ALA 1 HA ALA 1 -6.764 6.374 -12.448
5 HB1 ALA 1 HB1 ALA 1 -9.382 7.153 -13.465
6 HB2 ALA 1 HB2 ALA 1 -8.100 8.184 -14.101
7 HB3 ALA 1 HB3 ALA 1 -8.313 8.013 -12.358
8 H ASP 2 H ASP 2 -8.800 5.414 -11.381
9 HA ASP 2 HA ASP 2 -9.902 3.446 -10.900
10 HB2 ASP 2 HB2 ASP 2 -11.119 4.680 -13.017
11 HB3 ASP 2 HB3 ASP 2 -10.818 3.072 -13.672
12 H ASP 3 H ASP 3 -7.125 3.312 -12.086
13 HA ASP 3 HA ASP 3 -7.114 0.831 -13.590
14 HB2 ASP 3 HB2 ASP 3 -5.465 2.561 -14.105
15 HB3 ASP 3 HB3 ASP 3 -4.852 2.492 -12.454
16 H LYS 4 H LYS 4 -8.392 0.075 -11.454
17 HA LYS 4 HA LYS 4 -8.293 -1.720 -9.973
18 HB2 LYS 4 HB2 LYS 4 -5.894 -2.006 -11.179
19 HB3 LYS 4 HB3 LYS 4 -5.363 -1.555 -9.558
20 HG2 LYS 4 HG2 LYS 4 -6.575 -3.373 -8.562
21 HG3 LYS 4 HG3 LYS 4 -7.406 -3.727 -10.078
22 HD2 LYS 4 HD2 LYS 4 -5.036 -4.104 -11.054
23 HD3 LYS 4 HD3 LYS 4 -4.512 -4.194 -9.371
24 HE2 LYS 4 HE2 LYS 4 -5.116 -6.368 -9.420
25 HE3 LYS 4 HE3 LYS 4 -6.787 -5.806 -9.455
26 HZ1 LYS 4 HZ1 LYS 4 -6.103 -7.355 -11.294
27 HZ2 LYS 4 HZ2 LYS 4 -5.144 -6.091 -11.903
28 HZ3 LYS 4 HZ3 LYS 4 -6.830 -5.905 -11.789
29 H CYS 5 H CYS 5 -6.580 1.269 -9.562
30 HA CYS 5 HA CYS 5 -6.498 1.074 -6.661
31 HB2 CYS 5 HB2 CYS 5 -5.967 3.521 -8.354
32 HB3 CYS 5 HB3 CYS 5 -5.399 3.191 -6.717
33 H GLU 6 H GLU 6 -7.888 3.507 -8.875
34 HA GLU 6 HA GLU 6 -9.729 4.466 -6.913
35 HB2 GLU 6 HB2 GLU 6 -8.813 5.288 -9.457
36 HB3 GLU 6 HB3 GLU 6 -10.562 5.100 -9.596
37 HG2 GLU 6 HG2 GLU 6 -10.909 6.539 -7.657
38 HG3 GLU 6 HG3 GLU 6 -9.169 6.661 -7.401
39 H ASP 7 H ASP 7 -9.697 1.593 -8.454
40 HA ASP 7 HA ASP 7 -12.551 1.441 -9.060
41 HB2 ASP 7 HB2 ASP 7 -10.632 0.309 -10.392
42 HB3 ASP 7 HB3 ASP 7 -10.648 -0.885 -9.096
43 H SER 8 H SER 8 -10.435 0.891 -6.442
44 HA SER 8 HA SER 8 -12.585 -0.539 -5.003
45 HB2 SER 8 HB2 SER 8 -10.188 -1.692 -5.671
46 HB3 SER 8 HB3 SER 8 -9.849 -1.063 -4.061
47 HG SER 8 HG SER 8 -12.275 -2.386 -4.523
48 H LEU 9 H LEU 9 -13.381 0.987 -3.687
49 HA LEU 9 HA LEU 9 -11.900 3.164 -2.627
50 HB2 LEU 9 HB2 LEU 9 -14.595 1.966 -2.093
51 HB3 LEU 9 HB3 LEU 9 -13.952 3.183 -0.992
52 HG LEU 9 HG LEU 9 -15.368 4.082 -2.908
53 HD11 LEU 9 HD11 LEU 9 -13.346 5.218 -1.590
54 HD12 LEU 9 HD12 LEU 9 -14.132 6.036 -2.941
55 HD13 LEU 9 HD13 LEU 9 -12.605 5.189 -3.191
56 HD21 LEU 9 HD21 LEU 9 -14.273 2.427 -4.548
57 HD22 LEU 9 HD22 LEU 9 -12.898 3.531 -4.562
58 HD23 LEU 9 HD23 LEU 9 -14.479 4.084 -5.114
59 H ARG 10 H ARG 10 -11.765 -0.069 -1.887
60 HA ARG 10 HA ARG 10 -11.348 0.233 0.981
61 HB2 ARG 10 HB2 ARG 10 -12.482 -1.772 0.172
62 HB3 ARG 10 HB3 ARG 10 -11.093 -2.172 -0.839
63 HG2 ARG 10 HG2 ARG 10 -9.675 -2.315 1.192
64 HG3 ARG 10 HG3 ARG 10 -11.093 -1.979 2.187
65 HD2 ARG 10 HD2 ARG 10 -11.955 -4.073 1.900
66 HD3 ARG 10 HD3 ARG 10 -11.403 -4.181 0.231
67 HE ARG 10 HE ARG 10 -9.385 -4.370 2.358
68 HH11 ARG 10 HH21 ARG 10 -11.345 -5.847 -0.084
69 HH12 ARG 10 HH22 ARG 10 -10.389 -7.288 -0.174
70 HH21 ARG 10 HH11 ARG 10 -8.129 -6.258 2.247
71 HH22 ARG 10 HH12 ARG 10 -8.570 -7.522 1.146
72 H ARG 11 H ARG 11 -9.424 -0.947 -1.790
73 HA ARG 11 HA ARG 11 -6.976 -1.016 -0.342
74 HB2 ARG 11 HB2 ARG 11 -7.353 -0.815 -3.337
75 HB3 ARG 11 HB3 ARG 11 -5.938 -1.430 -2.483
76 HG2 ARG 11 HG2 ARG 11 -7.304 -3.250 -1.523
77 HG3 ARG 11 HG3 ARG 11 -8.717 -2.641 -2.385
78 HD2 ARG 11 HD2 ARG 11 -7.232 -2.871 -4.510
79 HD3 ARG 11 HD3 ARG 11 -6.232 -3.918 -3.507
80 HE ARG 11 HE ARG 11 -8.874 -4.792 -3.232
81 HH11 ARG 11 HH21 ARG 11 -6.449 -4.450 -5.677
82 HH12 ARG 11 HH22 ARG 11 -7.021 -5.782 -6.625
83 HH21 ARG 11 HH11 ARG 11 -9.629 -6.540 -4.469
84 HH22 ARG 11 HH12 ARG 11 -8.822 -6.966 -5.940
85 H GLU 12 H GLU 12 -8.611 1.429 -2.249
86 HA GLU 12 HA GLU 12 -6.520 3.212 -2.715
87 HB2 GLU 12 HB2 GLU 12 -8.917 3.344 -3.559
88 HB3 GLU 12 HB3 GLU 12 -9.327 4.053 -1.997
89 HG2 GLU 12 HG2 GLU 12 -8.879 5.949 -3.294
90 HG3 GLU 12 HG3 GLU 12 -7.336 5.670 -2.490
91 H ILE 13 H ILE 13 -8.306 2.540 0.217
92 HA ILE 13 HA ILE 13 -7.259 4.874 1.600
93 HB ILE 13 HB ILE 13 -8.980 2.546 2.461
94 HG12 ILE 13 HG12 ILE 13 -9.577 5.513 2.431
95 HG13 ILE 13 HG13 ILE 13 -9.886 4.475 1.038
96 HG21 ILE 13 HG21 ILE 13 -7.469 4.544 4.054
97 HG22 ILE 13 HG22 ILE 13 -8.049 2.943 4.514
98 HG23 ILE 13 HG23 ILE 13 -9.157 4.315 4.508
99 HD11 ILE 13 HD11 ILE 13 -11.904 4.711 2.454
100 HD12 ILE 13 HD12 ILE 13 -11.012 4.046 3.821
101 HD13 ILE 13 HD13 ILE 13 -11.339 3.042 2.409
102 H ALA 14 H ALA 14 -6.853 1.342 1.739
103 HA ALA 14 HA ALA 14 -4.891 1.390 3.807
104 HB1 ALA 14 HB1 ALA 14 -5.360 -0.737 1.704
105 HB2 ALA 14 HB2 ALA 14 -6.251 -0.612 3.221
106 HB3 ALA 14 HB3 ALA 14 -4.519 -0.945 3.241
107 H CYS 15 H CYS 15 -4.737 1.301 0.276
108 HA CYS 15 HA CYS 15 -1.945 0.996 0.020
109 HB2 CYS 15 HB2 CYS 15 -3.250 0.612 -1.918
110 HB3 CYS 15 HB3 CYS 15 -4.061 2.171 -1.780
111 H THR 16 H THR 16 -3.992 3.835 0.450
112 HA THR 16 HA THR 16 -2.074 5.818 -0.122
113 HB THR 16 HB THR 16 -4.465 5.849 1.733
114 HG1 THR 16 HG1 THR 16 -5.496 6.229 -0.041
115 HG21 THR 16 HG21 THR 16 -2.361 7.850 1.168
116 HG22 THR 16 HG22 THR 16 -3.445 7.713 2.554
117 HG23 THR 16 HG23 THR 16 -4.018 8.446 1.054
118 H LYS 17 H LYS 17 -2.936 4.148 2.867
119 HA LYS 17 HA LYS 17 -1.285 5.559 4.638
120 HB2 LYS 17 HB2 LYS 17 -2.451 2.793 4.598
121 HB3 LYS 17 HB3 LYS 17 -1.309 3.243 5.859
122 HG2 LYS 17 HG2 LYS 17 -3.241 5.355 5.544
123 HG3 LYS 17 HG3 LYS 17 -4.084 3.823 5.752
124 HD2 LYS 17 HD2 LYS 17 -2.459 3.401 7.712
125 HD3 LYS 17 HD3 LYS 17 -2.091 5.124 7.606
126 HE2 LYS 17 HE2 LYS 17 -3.843 5.110 9.152
127 HE3 LYS 17 HE3 LYS 17 -4.702 5.401 7.641
128 HZ1 LYS 17 HZ1 LYS 17 -4.379 2.635 7.989
129 HZ2 LYS 17 HZ2 LYS 17 -5.821 3.532 7.935
130 HZ3 LYS 17 HZ3 LYS 17 -5.029 3.278 9.417
131 H CYS 18 H CYS 18 -0.616 2.767 2.570
132 HA CYS 18 HA CYS 18 1.965 2.195 3.562
133 HB2 CYS 18 HB2 CYS 18 0.291 1.358 1.338
134 HB3 CYS 18 HB3 CYS 18 1.990 1.462 0.877
135 H ARG 19 H ARG 19 0.909 4.207 0.811
136 HA ARG 19 HA ARG 19 3.627 4.987 0.201
137 HB2 ARG 19 HB2 ARG 19 2.042 4.804 -1.622
138 HB3 ARG 19 HB3 ARG 19 0.967 5.970 -0.853
139 HG2 ARG 19 HG2 ARG 19 3.587 7.127 -1.035
140 HG3 ARG 19 HG3 ARG 19 3.135 6.501 -2.620
141 HD2 ARG 19 HD2 ARG 19 1.011 7.729 -2.520
142 HD3 ARG 19 HD3 ARG 19 1.419 8.326 -0.914
143 HE ARG 19 HE ARG 19 3.421 8.974 -2.882
144 HH11 ARG 19 HH21 ARG 19 0.359 9.836 -1.519
145 HH12 ARG 19 HH22 ARG 19 0.491 11.512 -1.934
146 HH21 ARG 19 HH11 ARG 19 3.598 11.169 -3.433
147 HH22 ARG 19 HH12 ARG 19 2.325 12.267 -3.017
148 H ASP 20 H ASP 20 0.832 6.412 1.827
149 HA ASP 20 HA ASP 20 1.908 9.020 2.125
150 HB2 ASP 20 HB2 ASP 20 -0.519 8.241 2.467
151 HB3 ASP 20 HB3 ASP 20 0.002 7.736 4.074
152 H ARG 21 H ARG 21 2.616 6.033 3.637
153 HA ARG 21 HA ARG 21 3.637 7.124 6.105
154 HB2 ARG 21 HB2 ARG 21 2.766 4.776 5.842
155 HB3 ARG 21 HB3 ARG 21 4.203 4.414 4.886
156 HG2 ARG 21 HG2 ARG 21 5.644 5.008 6.772
157 HG3 ARG 21 HG3 ARG 21 4.236 5.472 7.728
158 HD2 ARG 21 HD2 ARG 21 3.380 3.098 7.388
159 HD3 ARG 21 HD3 ARG 21 4.971 2.707 6.743
160 HE ARG 21 HE ARG 21 4.298 3.088 9.511
161 HH11 ARG 21 HH21 ARG 21 6.762 3.432 7.106
162 HH12 ARG 21 HH22 ARG 21 8.072 3.297 8.231
163 HH21 ARG 21 HH11 ARG 21 6.010 2.912 10.992
164 HH22 ARG 21 HH12 ARG 21 7.646 3.003 10.432
165 H VAL 22 H VAL 22 4.924 6.195 2.966
166 HA VAL 22 HA VAL 22 7.632 6.977 3.834
167 HB VAL 22 HB VAL 22 6.893 5.668 1.218
168 HG11 VAL 22 HG11 VAL 22 9.116 6.606 1.266
169 HG12 VAL 22 HG12 VAL 22 9.277 4.860 1.463
170 HG13 VAL 22 HG13 VAL 22 9.424 5.923 2.862
171 HG21 VAL 22 HG21 VAL 22 6.152 3.969 2.580
172 HG22 VAL 22 HG22 VAL 22 7.090 4.531 3.965
173 HG23 VAL 22 HG23 VAL 22 7.880 3.625 2.675
174 H ARG 23 H ARG 23 4.924 8.055 2.087
175 HA ARG 23 HA ARG 23 4.524 9.907 0.794
176 HB2 ARG 23 HB2 ARG 23 7.201 10.880 1.810
177 HB3 ARG 23 HB3 ARG 23 5.858 11.859 1.217
178 HG2 ARG 23 HG2 ARG 23 4.464 10.815 3.099
179 HG3 ARG 23 HG3 ARG 23 5.993 10.238 3.764
180 HD2 ARG 23 HD2 ARG 23 5.157 13.105 3.286
181 HD3 ARG 23 HD3 ARG 23 5.533 12.340 4.825
182 HE ARG 23 HE ARG 23 7.483 13.126 2.761
183 HH11 ARG 23 HH21 ARG 23 6.722 11.829 5.885
184 HH12 ARG 23 HH22 ARG 23 8.335 11.991 6.492
185 HH21 ARG 23 HH11 ARG 23 9.592 13.339 3.559
186 HH22 ARG 23 HH12 ARG 23 9.959 12.843 5.177
187 H THR 24 H THR 24 5.527 7.768 -0.600
188 HA THR 24 HA THR 24 7.216 9.107 -2.620
189 HB THR 24 HB THR 24 7.425 6.151 -2.182
190 HG1 THR 24 HG1 THR 24 9.295 6.818 -0.825
191 HG21 THR 24 HG21 THR 24 9.512 8.194 -2.961
192 HG22 THR 24 HG22 THR 24 8.438 7.437 -4.138
193 HG23 THR 24 HG23 THR 24 9.560 6.448 -3.205
194 H ASP 25 H ASP 25 5.801 9.485 -4.224
195 HA ASP 25 HA ASP 25 3.451 8.204 -4.837
196 HB2 ASP 25 HB2 ASP 25 4.291 10.283 -5.929
197 HB3 ASP 25 HB3 ASP 25 5.410 9.297 -6.870
198 H ASP 26 H ASP 26 6.671 7.035 -5.267
199 HA ASP 26 HA ASP 26 6.034 5.061 -7.266
200 HB2 ASP 26 HB2 ASP 26 8.423 5.523 -5.482
201 HB3 ASP 26 HB3 ASP 26 8.311 4.139 -6.569
202 H TYR 27 H TYR 27 6.025 5.222 -3.776
203 HA TYR 27 HA TYR 27 6.034 2.437 -3.238
204 HB2 TYR 27 HB2 TYR 27 5.507 4.913 -1.751
205 HB3 TYR 27 HB3 TYR 27 4.559 3.535 -1.191
206 HD1 TYR 27 HD1 TYR 27 8.045 4.013 -2.513
207 HD2 TYR 27 HD2 TYR 27 5.546 2.425 0.598
208 HE1 TYR 27 HE1 TYR 27 10.048 3.100 -1.370
209 HE2 TYR 27 HE2 TYR 27 7.549 1.511 1.742
210 HH TYR 27 HH TYR 27 9.823 1.611 1.821
211 H PHE 28 H PHE 28 3.347 4.777 -3.458
212 HA PHE 28 HA PHE 28 1.174 3.184 -3.035
213 HB2 PHE 28 HB2 PHE 28 1.322 5.679 -3.730
214 HB3 PHE 28 HB3 PHE 28 1.241 5.071 -5.383
215 HD1 PHE 28 HD1 PHE 28 -0.717 3.626 -6.072
216 HD2 PHE 28 HD2 PHE 28 -0.612 5.775 -2.357
217 HE1 PHE 28 HE1 PHE 28 -3.173 3.385 -5.863
218 HE2 PHE 28 HE2 PHE 28 -3.066 5.532 -2.145
219 HZ PHE 28 HZ PHE 28 -4.351 4.337 -3.900
220 H TYR 29 H TYR 29 2.632 3.756 -6.228
221 HA TYR 29 HA TYR 29 1.211 2.024 -7.784
222 HB2 TYR 29 HB2 TYR 29 4.058 2.915 -7.821
223 HB3 TYR 29 HB3 TYR 29 3.572 1.621 -8.917
224 HD1 TYR 29 HD2 TYR 29 1.311 2.040 -10.221
225 HD2 TYR 29 HD1 TYR 29 3.743 5.130 -8.493
226 HE1 TYR 29 HE2 TYR 29 0.267 3.705 -11.732
227 HE2 TYR 29 HE1 TYR 29 2.698 6.796 -10.003
228 HH TYR 29 HH TYR 29 1.536 6.752 -12.263
229 H GLU 30 H GLU 30 3.634 1.193 -5.396
230 HA GLU 30 HA GLU 30 3.994 -1.522 -6.192
231 HB2 GLU 30 HB2 GLU 30 5.352 0.075 -4.535
232 HB3 GLU 30 HB3 GLU 30 4.333 -0.731 -3.342
233 HG2 GLU 30 HG2 GLU 30 6.193 -2.153 -3.471
234 HG3 GLU 30 HG3 GLU 30 5.041 -2.920 -4.563
235 H CYS 31 H CYS 31 1.686 0.168 -4.212
236 HA CYS 31 HA CYS 31 0.615 -2.118 -2.879
237 HB2 CYS 31 HB2 CYS 31 -1.023 -0.644 -2.037
238 HB3 CYS 31 HB3 CYS 31 0.417 0.354 -2.212
239 H CYS 32 H CYS 32 -0.598 -0.132 -5.588
240 HA CYS 32 HA CYS 32 -2.826 -1.779 -6.151
241 HB2 CYS 32 HB2 CYS 32 -1.556 0.566 -7.297
242 HB3 CYS 32 HB3 CYS 32 -2.141 -0.530 -8.548
243 H THR 33 H THR 33 0.345 -2.593 -6.374
244 HA THR 33 HA THR 33 0.472 -3.858 -8.924
245 HB THR 33 HB THR 33 2.016 -4.834 -6.539
246 HG1 THR 33 HG1 THR 33 2.642 -2.522 -8.045
247 HG21 THR 33 HG21 THR 33 3.313 -5.765 -8.125
248 HG22 THR 33 HG22 THR 33 3.434 -4.242 -9.007
249 HG23 THR 33 HG23 THR 33 2.069 -5.322 -9.293
250 H SER 34 H SER 34 1.434 -6.452 -7.879
251 HA SER 34 HA SER 34 -0.947 -7.941 -8.159
252 HB2 SER 34 HB2 SER 34 1.818 -8.492 -8.003
253 HB3 SER 34 HB3 SER 34 1.056 -9.430 -6.722
254 HG SER 34 HG SER 34 0.265 -9.346 -9.452
255 H GLU 35 H GLU 35 -1.598 -9.626 -6.441
256 HA GLU 35 HA GLU 35 -2.447 -8.181 -4.104
257 HB2 GLU 35 HB2 GLU 35 -3.855 -9.900 -5.243
258 HB3 GLU 35 HB3 GLU 35 -2.718 -11.136 -4.700
259 HG2 GLU 35 HG2 GLU 35 -3.392 -9.520 -2.443
260 HG3 GLU 35 HG3 GLU 35 -4.892 -9.975 -3.247
261 H SER 36 H SER 36 -0.100 -10.730 -4.800
262 HA SER 36 HA SER 36 0.578 -11.517 -2.228
263 HB2 SER 36 HB2 SER 36 2.167 -12.687 -3.304
264 HB3 SER 36 HB3 SER 36 1.584 -11.945 -4.791
265 HG SER 36 HG SER 36 3.863 -11.469 -3.341
266 H THR 37 H THR 37 1.845 -8.785 -4.119
267 HA THR 37 HA THR 37 3.714 -7.878 -2.214
268 HB THR 37 HB THR 37 2.183 -6.160 -4.177
269 HG1 THR 37 HG1 THR 37 3.767 -8.246 -4.619
270 HG21 THR 37 HG21 THR 37 3.620 -4.535 -3.585
271 HG22 THR 37 HG22 THR 37 5.001 -5.611 -3.797
272 HG23 THR 37 HG23 THR 37 4.146 -5.568 -2.256
273 H PHE 38 H PHE 38 0.270 -7.270 -2.632
274 HA PHE 38 HA PHE 38 -0.097 -5.114 -0.918
275 HB2 PHE 38 HB2 PHE 38 -1.766 -6.615 -2.388
276 HB3 PHE 38 HB3 PHE 38 -2.106 -7.303 -0.800
277 HD1 PHE 38 HD2 PHE 38 -2.753 -5.748 1.099
278 HD2 PHE 38 HD1 PHE 38 -2.580 -4.468 -2.997
279 HE1 PHE 38 HE2 PHE 38 -4.149 -3.777 1.658
280 HE2 PHE 38 HE1 PHE 38 -3.976 -2.495 -2.438
281 HZ PHE 38 HZ PHE 38 -4.760 -2.151 -0.111
282 H LYS 39 H LYS 39 -0.271 -8.589 -0.127
283 HA LYS 39 HA LYS 39 -0.769 -8.439 2.583
284 HB2 LYS 39 HB2 LYS 39 -0.262 -10.467 0.870
285 HB3 LYS 39 HB3 LYS 39 1.257 -10.441 1.765
286 HG2 LYS 39 HG2 LYS 39 -0.180 -10.390 3.891
287 HG3 LYS 39 HG3 LYS 39 -1.538 -10.819 2.849
288 HD2 LYS 39 HD2 LYS 39 1.044 -12.394 3.080
289 HD3 LYS 39 HD3 LYS 39 -0.481 -12.827 3.854
290 HE2 LYS 39 HE2 LYS 39 -1.255 -12.445 1.240
291 HE3 LYS 39 HE3 LYS 39 0.353 -13.145 1.050
292 HZ1 LYS 39 HZ1 LYS 39 -1.001 -14.524 3.083
293 HZ2 LYS 39 HZ2 LYS 39 -0.463 -15.114 1.582
294 HZ3 LYS 39 HZ3 LYS 39 -2.019 -14.447 1.728
295 H LYS 40 H LYS 40 2.319 -8.091 0.895
296 HA LYS 40 HA LYS 40 3.983 -8.027 3.181
297 HB2 LYS 40 HB2 LYS 40 4.305 -7.802 0.387
298 HB3 LYS 40 HB3 LYS 40 4.984 -6.327 1.075
299 HG2 LYS 40 HG2 LYS 40 6.281 -7.746 2.689
300 HG3 LYS 40 HG3 LYS 40 5.698 -9.174 1.832
301 HD2 LYS 40 HD2 LYS 40 6.712 -8.330 -0.260
302 HD3 LYS 40 HD3 LYS 40 7.315 -6.917 0.610
303 HE2 LYS 40 HE2 LYS 40 7.984 -9.568 1.778
304 HE3 LYS 40 HE3 LYS 40 8.789 -9.154 0.265
305 HZ1 LYS 40 HZ1 LYS 40 8.723 -6.980 2.133
306 HZ2 LYS 40 HZ2 LYS 40 10.035 -7.631 1.271
307 HZ3 LYS 40 HZ3 LYS 40 9.548 -8.333 2.739
308 H CYS 41 H CYS 41 2.824 -5.320 1.159
309 HA CYS 41 HA CYS 41 3.738 -3.236 2.761
310 HB2 CYS 41 HB2 CYS 41 2.416 -3.365 0.408
311 HB3 CYS 41 HB3 CYS 41 1.106 -2.835 1.464
312 H GLN 42 H GLN 42 1.332 -5.526 3.466
313 HA GLN 42 HA GLN 42 -0.187 -3.803 5.253
314 HB2 GLN 42 HB2 GLN 42 -0.944 -5.953 3.852
315 HB3 GLN 42 HB3 GLN 42 -0.477 -6.762 5.347
316 HG2 GLN 42 HG2 GLN 42 -1.904 -5.091 6.594
317 HG3 GLN 42 HG3 GLN 42 -2.492 -4.525 5.033
318 HE21 GLN 42 HE21 GLN 42 -2.398 -7.394 7.167
319 HE22 GLN 42 HE22 GLN 42 -3.731 -8.163 6.449
320 H THR 43 H THR 43 2.218 -6.386 5.467
321 HA THR 43 HA THR 43 2.141 -6.600 8.315
322 HB THR 43 HB THR 43 4.651 -7.267 6.877
323 HG1 THR 43 HG1 THR 43 3.150 -9.256 6.331
324 HG21 THR 43 HG21 THR 43 4.363 -9.344 8.193
325 HG22 THR 43 HG22 THR 43 2.796 -8.760 8.753
326 HG23 THR 43 HG23 THR 43 4.270 -7.911 9.215
327 H MET 44 H MET 44 3.814 -4.552 6.039
328 HA MET 44 HA MET 44 5.803 -3.565 7.833
329 HB2 MET 44 HB2 MET 44 4.663 -2.576 5.221
330 HB3 MET 44 HB3 MET 44 5.867 -1.650 6.118
331 HG2 MET 44 HG2 MET 44 6.628 -3.405 4.291
332 HG3 MET 44 HG3 MET 44 7.530 -3.242 5.798
333 HE1 MET 44 HE1 MET 44 7.537 -7.048 4.851
334 HE2 MET 44 HE2 MET 44 8.371 -5.503 4.709
335 HE3 MET 44 HE3 MET 44 7.056 -5.891 3.603
336 H LEU 45 H LEU 45 2.453 -2.936 7.360
337 HA LEU 45 HA LEU 45 2.474 -0.314 8.596
338 HB2 LEU 45 HB2 LEU 45 0.316 -2.185 7.639
339 HB3 LEU 45 HB3 LEU 45 -0.068 -0.730 8.558
340 HG LEU 45 HG LEU 45 1.693 -0.648 6.105
341 HD11 LEU 45 HD11 LEU 45 -1.218 0.090 6.037
342 HD12 LEU 45 HD12 LEU 45 -0.748 -1.596 5.813
343 HD13 LEU 45 HD13 LEU 45 -0.151 -0.359 4.707
344 HD21 LEU 45 HD21 LEU 45 0.796 1.239 8.081
345 HD22 LEU 45 HD22 LEU 45 0.102 1.680 6.520
346 HD23 LEU 45 HD23 LEU 45 1.849 1.521 6.695
347 H HIS 46 H HIS 46 1.353 -3.580 9.472
348 HA HIS 46 HA HIS 46 0.415 -2.972 12.045
349 HB2 HIS 46 HB2 HIS 46 1.465 -5.489 10.774
350 HB3 HIS 46 HB3 HIS 46 0.989 -5.458 12.471
351 HD1 HIS 46 HD1 HIS 46 -1.096 -3.082 10.817
352 HD2 HIS 46 HD2 HIS 46 -1.121 -7.241 11.107
353 HE1 HIS 46 HE1 HIS 46 -3.437 -3.830 10.203
354 H GLN 47 H GLN 47 3.563 -4.372 11.100
355 HA GLN 47 HA GLN 47 4.638 -3.756 13.748
356 HB2 GLN 47 HB2 GLN 47 5.687 -5.287 11.370
357 HB3 GLN 47 HB3 GLN 47 6.705 -4.893 12.755
358 HG2 GLN 47 HG2 GLN 47 5.660 -6.388 14.116
359 HG3 GLN 47 HG3 GLN 47 4.071 -6.043 13.436
360 HE21 GLN 47 HE21 GLN 47 3.526 -8.300 13.114
361 HE22 GLN 47 HE22 GLN 47 4.310 -9.249 11.946
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 -4.368 2.569 -14.923
2 H2 ALA 1 H2 ALA 1 -3.673 3.007 -13.436
3 H3 ALA 1 H3 ALA 1 -3.513 4.027 -14.785
4 HA ALA 1 HA ALA 1 -5.189 4.776 -13.123
5 HB1 ALA 1 HB1 ALA 1 -6.850 4.310 -15.474
6 HB2 ALA 1 HB2 ALA 1 -5.219 4.813 -15.913
7 HB3 ALA 1 HB3 ALA 1 -6.197 5.825 -14.850
8 H ASP 2 H ASP 2 -6.943 4.259 -11.905
9 HA ASP 2 HA ASP 2 -8.184 2.682 -10.696
10 HB2 ASP 2 HB2 ASP 2 -9.558 2.209 -13.318
11 HB3 ASP 2 HB3 ASP 2 -10.258 2.460 -11.719
12 H ASP 3 H ASP 3 -6.143 1.241 -10.770
13 HA ASP 3 HA ASP 3 -6.559 -1.172 -12.394
14 HB2 ASP 3 HB2 ASP 3 -4.243 -0.202 -10.712
15 HB3 ASP 3 HB3 ASP 3 -4.299 -1.808 -11.437
16 H LYS 4 H LYS 4 -8.545 -1.020 -10.622
17 HA LYS 4 HA LYS 4 -9.597 -2.461 -9.139
18 HB2 LYS 4 HB2 LYS 4 -7.650 -4.060 -9.880
19 HB3 LYS 4 HB3 LYS 4 -6.974 -3.648 -8.304
20 HG2 LYS 4 HG2 LYS 4 -8.856 -4.522 -7.147
21 HG3 LYS 4 HG3 LYS 4 -9.831 -4.579 -8.616
22 HD2 LYS 4 HD2 LYS 4 -8.806 -6.499 -9.391
23 HD3 LYS 4 HD3 LYS 4 -7.285 -6.145 -8.569
24 HE2 LYS 4 HE2 LYS 4 -9.688 -6.655 -6.871
25 HE3 LYS 4 HE3 LYS 4 -8.944 -8.038 -7.674
26 HZ1 LYS 4 HZ1 LYS 4 -7.718 -6.160 -5.747
27 HZ2 LYS 4 HZ2 LYS 4 -6.774 -7.150 -6.755
28 HZ3 LYS 4 HZ3 LYS 4 -7.846 -7.848 -5.637
29 H CYS 5 H CYS 5 -7.000 -0.378 -8.485
30 HA CYS 5 HA CYS 5 -7.591 -0.342 -5.595
31 HB2 CYS 5 HB2 CYS 5 -5.497 1.256 -5.697
32 HB3 CYS 5 HB3 CYS 5 -5.286 -0.494 -5.749
33 H GLU 6 H GLU 6 -6.635 2.095 -8.026
34 HA GLU 6 HA GLU 6 -7.814 4.279 -6.734
35 HB2 GLU 6 HB2 GLU 6 -6.504 3.772 -9.232
36 HB3 GLU 6 HB3 GLU 6 -7.956 4.724 -9.540
37 HG2 GLU 6 HG2 GLU 6 -7.253 6.315 -7.757
38 HG3 GLU 6 HG3 GLU 6 -5.767 5.390 -7.550
39 H ASP 7 H ASP 7 -9.271 1.639 -8.243
40 HA ASP 7 HA ASP 7 -11.686 3.016 -9.085
41 HB2 ASP 7 HB2 ASP 7 -10.612 0.859 -10.100
42 HB3 ASP 7 HB3 ASP 7 -11.453 0.039 -8.787
43 H SER 8 H SER 8 -10.783 0.648 -6.580
44 HA SER 8 HA SER 8 -13.353 1.033 -5.242
45 HB2 SER 8 HB2 SER 8 -11.039 -0.848 -4.868
46 HB3 SER 8 HB3 SER 8 -12.249 -0.653 -3.605
47 HG SER 8 HG SER 8 -12.392 -2.050 -5.882
48 H LEU 9 H LEU 9 -13.560 2.746 -3.958
49 HA LEU 9 HA LEU 9 -11.454 4.295 -2.932
50 HB2 LEU 9 HB2 LEU 9 -14.385 4.090 -2.427
51 HB3 LEU 9 HB3 LEU 9 -13.405 4.966 -1.250
52 HG LEU 9 HG LEU 9 -13.054 5.517 -4.184
53 HD11 LEU 9 HD11 LEU 9 -14.747 7.509 -3.236
54 HD12 LEU 9 HD12 LEU 9 -15.450 6.027 -2.588
55 HD13 LEU 9 HD13 LEU 9 -15.203 6.200 -4.326
56 HD21 LEU 9 HD21 LEU 9 -12.438 7.749 -3.284
57 HD22 LEU 9 HD22 LEU 9 -11.456 6.467 -2.574
58 HD23 LEU 9 HD23 LEU 9 -12.785 7.173 -1.653
59 H ARG 10 H ARG 10 -12.265 1.209 -2.079
60 HA ARG 10 HA ARG 10 -11.688 1.498 0.775
61 HB2 ARG 10 HB2 ARG 10 -12.446 -0.872 -0.943
62 HB3 ARG 10 HB3 ARG 10 -12.033 -1.008 0.766
63 HG2 ARG 10 HG2 ARG 10 -13.935 0.125 1.459
64 HG3 ARG 10 HG3 ARG 10 -14.082 1.017 -0.055
65 HD2 ARG 10 HD2 ARG 10 -14.843 -0.972 -1.217
66 HD3 ARG 10 HD3 ARG 10 -14.542 -1.966 0.206
67 HE ARG 10 HE ARG 10 -16.502 -1.110 1.176
68 HH11 ARG 10 HH21 ARG 10 -15.669 0.492 -1.776
69 HH12 ARG 10 HH22 ARG 10 -17.192 1.304 -1.927
70 HH21 ARG 10 HH11 ARG 10 -18.502 -0.050 0.983
71 HH22 ARG 10 HH12 ARG 10 -18.796 0.996 -0.365
72 H ARG 11 H ARG 11 -10.400 -0.338 -2.003
73 HA ARG 11 HA ARG 11 -8.041 -1.170 -0.638
74 HB2 ARG 11 HB2 ARG 11 -8.575 -0.990 -3.613
75 HB3 ARG 11 HB3 ARG 11 -7.280 -1.909 -2.844
76 HG2 ARG 11 HG2 ARG 11 -8.786 -3.441 -1.866
77 HG3 ARG 11 HG3 ARG 11 -10.165 -2.369 -2.101
78 HD2 ARG 11 HD2 ARG 11 -10.554 -3.201 -4.156
79 HD3 ARG 11 HD3 ARG 11 -8.876 -2.961 -4.632
80 HE ARG 11 HE ARG 11 -10.069 -5.429 -3.782
81 HH11 ARG 11 HH21 ARG 11 -7.176 -3.531 -3.801
82 HH12 ARG 11 HH22 ARG 11 -6.114 -4.896 -3.698
83 HH21 ARG 11 HH11 ARG 11 -8.683 -7.225 -3.645
84 HH22 ARG 11 HH12 ARG 11 -6.968 -6.987 -3.609
85 H GLU 12 H GLU 12 -8.982 1.797 -1.978
86 HA GLU 12 HA GLU 12 -6.374 2.713 -2.791
87 HB2 GLU 12 HB2 GLU 12 -8.253 3.739 -3.853
88 HB3 GLU 12 HB3 GLU 12 -9.001 4.125 -2.302
89 HG2 GLU 12 HG2 GLU 12 -7.178 5.671 -1.773
90 HG3 GLU 12 HG3 GLU 12 -6.357 5.247 -3.275
91 H ILE 13 H ILE 13 -8.522 3.396 -0.028
92 HA ILE 13 HA ILE 13 -6.794 5.111 1.362
93 HB ILE 13 HB ILE 13 -8.987 3.257 2.293
94 HG12 ILE 13 HG12 ILE 13 -8.876 6.279 2.281
95 HG13 ILE 13 HG13 ILE 13 -9.412 5.362 0.873
96 HG21 ILE 13 HG21 ILE 13 -7.001 4.825 3.838
97 HG22 ILE 13 HG22 ILE 13 -7.956 3.426 4.326
98 HG23 ILE 13 HG23 ILE 13 -8.683 5.032 4.328
99 HD11 ILE 13 HD11 ILE 13 -11.013 6.136 3.008
100 HD12 ILE 13 HD12 ILE 13 -10.670 4.439 3.345
101 HD13 ILE 13 HD13 ILE 13 -11.414 4.901 1.814
102 H ALA 14 H ALA 14 -7.036 1.590 1.324
103 HA ALA 14 HA ALA 14 -5.164 1.174 3.456
104 HB1 ALA 14 HB1 ALA 14 -5.904 -0.788 1.280
105 HB2 ALA 14 HB2 ALA 14 -6.929 -0.473 2.680
106 HB3 ALA 14 HB3 ALA 14 -5.314 -1.146 2.904
107 H CYS 15 H CYS 15 -4.932 1.747 0.046
108 HA CYS 15 HA CYS 15 -2.188 0.791 -0.136
109 HB2 CYS 15 HB2 CYS 15 -4.094 2.084 -2.083
110 HB3 CYS 15 HB3 CYS 15 -2.394 1.823 -2.474
111 H THR 16 H THR 16 -3.889 3.702 0.556
112 HA THR 16 HA THR 16 -1.743 5.504 -0.129
113 HB THR 16 HB THR 16 -3.856 6.310 1.805
114 HG1 THR 16 HG1 THR 16 -4.377 5.846 -0.941
115 HG21 THR 16 HG21 THR 16 -2.606 7.475 -0.694
116 HG22 THR 16 HG22 THR 16 -2.336 7.986 0.972
117 HG23 THR 16 HG23 THR 16 -3.902 8.261 0.208
118 H LYS 17 H LYS 17 -3.187 4.396 2.942
119 HA LYS 17 HA LYS 17 -1.516 5.629 4.743
120 HB2 LYS 17 HB2 LYS 17 -2.687 2.843 4.849
121 HB3 LYS 17 HB3 LYS 17 -1.935 3.650 6.226
122 HG2 LYS 17 HG2 LYS 17 -4.207 4.884 4.653
123 HG3 LYS 17 HG3 LYS 17 -4.474 3.873 6.073
124 HD2 LYS 17 HD2 LYS 17 -2.577 5.590 7.022
125 HD3 LYS 17 HD3 LYS 17 -3.437 6.638 5.894
126 HE2 LYS 17 HE2 LYS 17 -5.592 5.731 7.003
127 HE3 LYS 17 HE3 LYS 17 -4.529 5.169 8.292
128 HZ1 LYS 17 HZ1 LYS 17 -3.658 7.492 8.397
129 HZ2 LYS 17 HZ2 LYS 17 -5.275 7.315 8.887
130 HZ3 LYS 17 HZ3 LYS 17 -4.913 7.955 7.356
131 H CYS 18 H CYS 18 -0.768 3.058 2.545
132 HA CYS 18 HA CYS 18 1.632 2.188 3.884
133 HB2 CYS 18 HB2 CYS 18 0.027 1.219 1.804
134 HB3 CYS 18 HB3 CYS 18 1.565 1.618 1.041
135 H ARG 19 H ARG 19 0.911 4.157 1.016
136 HA ARG 19 HA ARG 19 3.682 4.861 0.620
137 HB2 ARG 19 HB2 ARG 19 2.408 4.811 -1.364
138 HB3 ARG 19 HB3 ARG 19 1.086 5.726 -0.639
139 HG2 ARG 19 HG2 ARG 19 3.712 7.090 -0.622
140 HG3 ARG 19 HG3 ARG 19 3.005 6.844 -2.220
141 HD2 ARG 19 HD2 ARG 19 1.214 8.222 -1.791
142 HD3 ARG 19 HD3 ARG 19 1.195 7.841 -0.072
143 HE ARG 19 HE ARG 19 2.857 9.493 0.277
144 HH11 ARG 19 HH21 ARG 19 1.987 9.070 -3.046
145 HH12 ARG 19 HH22 ARG 19 2.708 10.557 -3.566
146 HH21 ARG 19 HH11 ARG 19 3.800 11.446 -0.399
147 HH22 ARG 19 HH12 ARG 19 3.732 11.902 -2.069
148 H ASP 20 H ASP 20 0.763 6.526 1.782
149 HA ASP 20 HA ASP 20 1.705 9.058 2.214
150 HB2 ASP 20 HB2 ASP 20 -0.419 7.422 3.276
151 HB3 ASP 20 HB3 ASP 20 0.266 8.423 4.555
152 H ARG 21 H ARG 21 2.552 6.132 3.925
153 HA ARG 21 HA ARG 21 3.803 7.449 6.152
154 HB2 ARG 21 HB2 ARG 21 2.954 5.094 6.214
155 HB3 ARG 21 HB3 ARG 21 4.275 4.638 5.135
156 HG2 ARG 21 HG2 ARG 21 5.879 4.897 6.761
157 HG3 ARG 21 HG3 ARG 21 4.999 6.196 7.570
158 HD2 ARG 21 HD2 ARG 21 3.485 4.652 8.596
159 HD3 ARG 21 HD3 ARG 21 4.054 3.323 7.590
160 HE ARG 21 HE ARG 21 5.767 3.012 9.113
161 HH11 ARG 21 HH21 ARG 21 4.494 6.221 9.354
162 HH12 ARG 21 HH22 ARG 21 5.468 6.655 10.718
163 HH21 ARG 21 HH11 ARG 21 7.048 3.573 10.903
164 HH22 ARG 21 HH12 ARG 21 6.914 5.156 11.595
165 H VAL 22 H VAL 22 5.033 5.822 3.225
166 HA VAL 22 HA VAL 22 7.726 6.805 3.760
167 HB VAL 22 HB VAL 22 6.768 5.289 1.329
168 HG11 VAL 22 HG11 VAL 22 9.430 4.748 2.381
169 HG12 VAL 22 HG12 VAL 22 9.219 6.459 2.011
170 HG13 VAL 22 HG13 VAL 22 8.953 5.247 0.758
171 HG21 VAL 22 HG21 VAL 22 6.266 3.628 2.799
172 HG22 VAL 22 HG22 VAL 22 7.091 4.440 4.130
173 HG23 VAL 22 HG23 VAL 22 8.013 3.465 2.985
174 H ARG 23 H ARG 23 4.980 8.048 2.365
175 HA ARG 23 HA ARG 23 4.548 9.712 0.823
176 HB2 ARG 23 HB2 ARG 23 7.197 10.949 1.340
177 HB3 ARG 23 HB3 ARG 23 5.585 11.664 1.399
178 HG2 ARG 23 HG2 ARG 23 5.149 10.411 3.515
179 HG3 ARG 23 HG3 ARG 23 6.813 9.826 3.475
180 HD2 ARG 23 HD2 ARG 23 7.708 11.925 3.917
181 HD3 ARG 23 HD3 ARG 23 6.312 12.772 3.257
182 HE ARG 23 HE ARG 23 5.229 11.593 5.408
183 HH11 ARG 23 HH21 ARG 23 8.211 13.290 4.953
184 HH12 ARG 23 HH22 ARG 23 8.275 13.893 6.575
185 HH21 ARG 23 HH11 ARG 23 5.306 12.382 7.536
186 HH22 ARG 23 HH12 ARG 23 6.630 13.379 8.037
187 H THR 24 H THR 24 5.466 7.507 -0.492
188 HA THR 24 HA THR 24 7.253 8.673 -2.545
189 HB THR 24 HB THR 24 7.071 5.727 -1.908
190 HG1 THR 24 HG1 THR 24 7.923 6.612 -0.100
191 HG21 THR 24 HG21 THR 24 9.127 7.412 -3.363
192 HG22 THR 24 HG22 THR 24 7.923 6.382 -4.137
193 HG23 THR 24 HG23 THR 24 9.191 5.663 -3.146
194 H ASP 25 H ASP 25 5.879 9.243 -4.137
195 HA ASP 25 HA ASP 25 3.401 8.288 -4.776
196 HB2 ASP 25 HB2 ASP 25 4.209 8.793 -7.249
197 HB3 ASP 25 HB3 ASP 25 3.985 10.094 -6.081
198 H ASP 26 H ASP 26 6.342 6.579 -4.964
199 HA ASP 26 HA ASP 26 5.465 4.692 -6.987
200 HB2 ASP 26 HB2 ASP 26 7.923 5.465 -6.227
201 HB3 ASP 26 HB3 ASP 26 7.745 4.045 -5.197
202 H TYR 27 H TYR 27 6.050 4.655 -3.472
203 HA TYR 27 HA TYR 27 5.485 2.057 -2.835
204 HB2 TYR 27 HB2 TYR 27 5.121 4.649 -1.459
205 HB3 TYR 27 HB3 TYR 27 4.164 3.310 -0.828
206 HD1 TYR 27 HD1 TYR 27 7.614 3.573 -2.293
207 HD2 TYR 27 HD2 TYR 27 5.181 2.349 1.029
208 HE1 TYR 27 HE1 TYR 27 9.623 2.666 -1.155
209 HE2 TYR 27 HE2 TYR 27 7.188 1.442 2.166
210 HH TYR 27 HH TYR 27 10.403 1.606 0.626
211 H PHE 28 H PHE 28 3.127 4.645 -3.464
212 HA PHE 28 HA PHE 28 0.785 3.286 -2.881
213 HB2 PHE 28 HB2 PHE 28 0.957 5.699 -3.473
214 HB3 PHE 28 HB3 PHE 28 1.211 5.232 -5.157
215 HD1 PHE 28 HD2 PHE 28 -1.113 4.475 -2.319
216 HD2 PHE 28 HD1 PHE 28 -0.652 5.115 -6.538
217 HE1 PHE 28 HE2 PHE 28 -3.554 4.237 -2.621
218 HE2 PHE 28 HE1 PHE 28 -3.096 4.874 -6.843
219 HZ PHE 28 HZ PHE 28 -4.556 4.437 -4.884
220 H TYR 29 H TYR 29 2.424 3.539 -6.039
221 HA TYR 29 HA TYR 29 0.704 1.801 -7.430
222 HB2 TYR 29 HB2 TYR 29 3.499 2.790 -7.862
223 HB3 TYR 29 HB3 TYR 29 2.864 1.505 -8.891
224 HD1 TYR 29 HD2 TYR 29 2.441 5.018 -7.831
225 HD2 TYR 29 HD1 TYR 29 1.063 1.916 -10.461
226 HE1 TYR 29 HE2 TYR 29 1.183 6.698 -9.151
227 HE2 TYR 29 HE1 TYR 29 -0.196 3.595 -11.782
228 HH TYR 29 HH TYR 29 -1.086 6.411 -10.802
229 H GLU 30 H GLU 30 3.183 1.170 -5.123
230 HA GLU 30 HA GLU 30 3.714 -1.534 -5.981
231 HB2 GLU 30 HB2 GLU 30 4.615 0.246 -3.793
232 HB3 GLU 30 HB3 GLU 30 4.626 -1.482 -3.439
233 HG2 GLU 30 HG2 GLU 30 6.778 -0.805 -4.402
234 HG3 GLU 30 HG3 GLU 30 5.928 -1.881 -5.508
235 H CYS 31 H CYS 31 1.215 -0.007 -4.265
236 HA CYS 31 HA CYS 31 0.535 -2.326 -2.635
237 HB2 CYS 31 HB2 CYS 31 0.115 -0.089 -1.733
238 HB3 CYS 31 HB3 CYS 31 -0.929 0.284 -3.103
239 H CYS 32 H CYS 32 -0.536 -0.717 -5.579
240 HA CYS 32 HA CYS 32 -2.847 -2.396 -5.948
241 HB2 CYS 32 HB2 CYS 32 -2.297 0.007 -6.896
242 HB3 CYS 32 HB3 CYS 32 -1.559 -0.915 -8.204
243 H THR 33 H THR 33 0.491 -2.776 -6.451
244 HA THR 33 HA THR 33 0.698 -4.273 -8.772
245 HB THR 33 HB THR 33 2.198 -4.970 -6.250
246 HG1 THR 33 HG1 THR 33 3.319 -3.099 -7.878
247 HG21 THR 33 HG21 THR 33 3.861 -4.786 -8.513
248 HG22 THR 33 HG22 THR 33 2.402 -5.609 -9.068
249 HG23 THR 33 HG23 THR 33 3.322 -6.260 -7.711
250 H SER 34 H SER 34 1.663 -6.779 -8.092
251 HA SER 34 HA SER 34 -0.554 -8.414 -8.259
252 HB2 SER 34 HB2 SER 34 1.027 -9.986 -8.481
253 HB3 SER 34 HB3 SER 34 2.232 -8.766 -8.079
254 HG SER 34 HG SER 34 2.286 -10.578 -6.662
255 H GLU 35 H GLU 35 -0.655 -10.341 -6.439
256 HA GLU 35 HA GLU 35 -1.933 -9.038 -4.183
257 HB2 GLU 35 HB2 GLU 35 -1.605 -12.002 -4.683
258 HB3 GLU 35 HB3 GLU 35 -2.790 -11.213 -3.641
259 HG2 GLU 35 HG2 GLU 35 -3.524 -9.977 -5.816
260 HG3 GLU 35 HG3 GLU 35 -2.671 -11.278 -6.648
261 H SER 36 H SER 36 1.000 -10.814 -4.852
262 HA SER 36 HA SER 36 1.724 -11.598 -2.264
263 HB2 SER 36 HB2 SER 36 3.326 -10.869 -4.705
264 HB3 SER 36 HB3 SER 36 4.112 -11.331 -3.198
265 HG SER 36 HG SER 36 3.742 -13.295 -3.836
266 H THR 37 H THR 37 3.041 -8.777 -4.010
267 HA THR 37 HA THR 37 4.272 -7.546 -1.851
268 HB THR 37 HB THR 37 2.930 -6.116 -4.153
269 HG1 THR 37 HG1 THR 37 4.577 -7.995 -4.408
270 HG21 THR 37 HG21 THR 37 5.034 -5.431 -2.127
271 HG22 THR 37 HG22 THR 37 3.688 -4.452 -2.709
272 HG23 THR 37 HG23 THR 37 5.105 -4.697 -3.729
273 H PHE 38 H PHE 38 0.902 -7.401 -2.871
274 HA PHE 38 HA PHE 38 -0.012 -5.249 -1.371
275 HB2 PHE 38 HB2 PHE 38 -1.212 -6.980 -3.016
276 HB3 PHE 38 HB3 PHE 38 -1.723 -7.682 -1.481
277 HD1 PHE 38 HD1 PHE 38 -2.336 -5.681 0.333
278 HD2 PHE 38 HD2 PHE 38 -2.731 -5.491 -3.941
279 HE1 PHE 38 HE1 PHE 38 -4.050 -3.904 0.570
280 HE2 PHE 38 HE2 PHE 38 -4.445 -3.715 -3.704
281 HZ PHE 38 HZ PHE 38 -5.105 -2.922 -1.448
282 H LYS 39 H LYS 39 0.176 -8.671 -0.395
283 HA LYS 39 HA LYS 39 -0.801 -8.330 2.221
284 HB2 LYS 39 HB2 LYS 39 1.055 -10.400 1.038
285 HB3 LYS 39 HB3 LYS 39 0.402 -10.497 2.672
286 HG2 LYS 39 HG2 LYS 39 -1.911 -10.174 1.510
287 HG3 LYS 39 HG3 LYS 39 -1.059 -10.671 0.047
288 HD2 LYS 39 HD2 LYS 39 -0.241 -12.696 1.307
289 HD3 LYS 39 HD3 LYS 39 -1.311 -12.232 2.630
290 HE2 LYS 39 HE2 LYS 39 -3.242 -12.679 1.405
291 HE3 LYS 39 HE3 LYS 39 -2.429 -12.463 -0.145
292 HZ1 LYS 39 HZ1 LYS 39 -1.062 -14.513 0.802
293 HZ2 LYS 39 HZ2 LYS 39 -2.485 -14.705 -0.107
294 HZ3 LYS 39 HZ3 LYS 39 -2.537 -14.802 1.587
295 H LYS 40 H LYS 40 2.389 -7.853 0.853
296 HA LYS 40 HA LYS 40 3.795 -7.832 3.338
297 HB2 LYS 40 HB2 LYS 40 4.404 -7.236 0.512
298 HB3 LYS 40 HB3 LYS 40 5.392 -6.385 1.700
299 HG2 LYS 40 HG2 LYS 40 5.911 -8.532 2.806
300 HG3 LYS 40 HG3 LYS 40 4.934 -9.381 1.609
301 HD2 LYS 40 HD2 LYS 40 7.075 -9.602 0.709
302 HD3 LYS 40 HD3 LYS 40 6.488 -8.160 -0.120
303 HE2 LYS 40 HE2 LYS 40 8.782 -7.844 0.788
304 HE3 LYS 40 HE3 LYS 40 7.624 -6.726 1.509
305 HZ1 LYS 40 HZ1 LYS 40 7.721 -7.761 3.503
306 HZ2 LYS 40 HZ2 LYS 40 9.274 -8.177 2.954
307 HZ3 LYS 40 HZ3 LYS 40 8.000 -9.296 2.835
308 H CYS 41 H CYS 41 2.515 -5.246 1.244
309 HA CYS 41 HA CYS 41 3.469 -3.016 2.524
310 HB2 CYS 41 HB2 CYS 41 1.525 -3.489 0.621
311 HB3 CYS 41 HB3 CYS 41 0.612 -2.774 1.948
312 H GLN 42 H GLN 42 0.660 -4.976 3.465
313 HA GLN 42 HA GLN 42 0.005 -3.381 5.747
314 HB2 GLN 42 HB2 GLN 42 -0.887 -5.944 4.567
315 HB3 GLN 42 HB3 GLN 42 -1.093 -5.797 6.313
316 HG2 GLN 42 HG2 GLN 42 -3.033 -4.962 4.850
317 HG3 GLN 42 HG3 GLN 42 -2.452 -3.861 6.098
318 HE21 GLN 42 HE21 GLN 42 -2.911 -1.867 5.025
319 HE22 GLN 42 HE22 GLN 42 -2.175 -1.418 3.563
320 H THR 43 H THR 43 2.039 -6.178 5.151
321 HA THR 43 HA THR 43 2.500 -6.915 7.847
322 HB THR 43 HB THR 43 4.271 -7.280 5.417
323 HG1 THR 43 HG1 THR 43 1.926 -8.217 5.875
324 HG21 THR 43 HG21 THR 43 5.724 -8.346 6.762
325 HG22 THR 43 HG22 THR 43 4.430 -9.323 7.457
326 HG23 THR 43 HG23 THR 43 4.807 -7.743 8.142
327 H MET 44 H MET 44 4.067 -4.627 5.664
328 HA MET 44 HA MET 44 6.266 -4.019 7.371
329 HB2 MET 44 HB2 MET 44 5.093 -2.925 4.885
330 HB3 MET 44 HB3 MET 44 5.988 -1.772 5.875
331 HG2 MET 44 HG2 MET 44 7.981 -3.044 5.763
332 HG3 MET 44 HG3 MET 44 7.126 -4.486 5.211
333 HE1 MET 44 HE1 MET 44 9.738 -2.766 4.094
334 HE2 MET 44 HE2 MET 44 8.886 -1.248 4.372
335 HE3 MET 44 HE3 MET 44 9.379 -1.687 2.739
336 H LEU 45 H LEU 45 3.148 -2.413 6.765
337 HA LEU 45 HA LEU 45 3.241 -0.160 8.227
338 HB2 LEU 45 HB2 LEU 45 1.117 -2.220 7.881
339 HB3 LEU 45 HB3 LEU 45 0.858 -0.986 9.113
340 HG LEU 45 HG LEU 45 1.665 -0.330 6.271
341 HD11 LEU 45 HD11 LEU 45 -1.003 -0.886 7.492
342 HD12 LEU 45 HD12 LEU 45 -0.442 -1.169 5.844
343 HD13 LEU 45 HD13 LEU 45 -0.889 0.459 6.356
344 HD21 LEU 45 HD21 LEU 45 2.015 1.667 7.293
345 HD22 LEU 45 HD22 LEU 45 1.162 1.165 8.752
346 HD23 LEU 45 HD23 LEU 45 0.257 1.781 7.371
347 H HIS 46 H HIS 46 3.265 -3.425 9.514
348 HA HIS 46 HA HIS 46 4.536 -2.707 11.918
349 HB2 HIS 46 HB2 HIS 46 2.330 -1.677 12.424
350 HB3 HIS 46 HB3 HIS 46 1.578 -3.262 12.240
351 HD1 HIS 46 HD1 HIS 46 4.950 -2.873 13.851
352 HD2 HIS 46 HD2 HIS 46 0.999 -3.516 15.015
353 HE1 HIS 46 HE1 HIS 46 5.019 -3.505 16.302
354 H GLN 47 H GLN 47 5.477 -4.582 10.587
355 HA GLN 47 HA GLN 47 4.487 -7.090 10.294
356 HB2 GLN 47 HB2 GLN 47 6.776 -6.515 9.675
357 HB3 GLN 47 HB3 GLN 47 7.223 -6.375 11.376
358 HG2 GLN 47 HG2 GLN 47 7.452 -8.610 11.602
359 HG3 GLN 47 HG3 GLN 47 5.925 -8.924 10.779
360 HE21 GLN 47 HE21 GLN 47 9.334 -8.000 10.057
361 HE22 GLN 47 HE22 GLN 47 9.378 -8.786 8.553
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 -13.039 3.676 -12.635
2 H2 ALA 1 H2 ALA 1 -14.168 4.411 -13.671
3 H3 ALA 1 H3 ALA 1 -12.671 5.158 -13.374
4 HA ALA 1 HA ALA 1 -13.304 3.428 -15.437
5 HB1 ALA 1 HB1 ALA 1 -11.552 5.365 -15.088
6 HB2 ALA 1 HB2 ALA 1 -11.204 4.063 -16.227
7 HB3 ALA 1 HB3 ALA 1 -10.482 4.044 -14.617
8 H ASP 2 H ASP 2 -12.712 2.499 -12.335
9 HA ASP 2 HA ASP 2 -11.680 0.641 -11.345
10 HB2 ASP 2 HB2 ASP 2 -12.699 -1.422 -12.822
11 HB3 ASP 2 HB3 ASP 2 -13.594 -0.543 -11.584
12 H ASP 3 H ASP 3 -10.012 1.846 -13.423
13 HA ASP 3 HA ASP 3 -8.869 -0.333 -14.945
14 HB2 ASP 3 HB2 ASP 3 -8.607 2.573 -14.832
15 HB3 ASP 3 HB3 ASP 3 -7.054 1.759 -15.013
16 H LYS 4 H LYS 4 -8.400 1.117 -11.847
17 HA LYS 4 HA LYS 4 -6.614 -0.890 -10.972
18 HB2 LYS 4 HB2 LYS 4 -5.244 0.816 -12.534
19 HB3 LYS 4 HB3 LYS 4 -5.137 1.687 -11.005
20 HG2 LYS 4 HG2 LYS 4 -4.285 -0.373 -9.912
21 HG3 LYS 4 HG3 LYS 4 -4.332 -1.199 -11.470
22 HD2 LYS 4 HD2 LYS 4 -2.849 0.728 -12.331
23 HD3 LYS 4 HD3 LYS 4 -2.577 1.108 -10.631
24 HE2 LYS 4 HE2 LYS 4 -0.800 -0.370 -11.412
25 HE3 LYS 4 HE3 LYS 4 -1.818 -1.243 -10.266
26 HZ1 LYS 4 HZ1 LYS 4 -3.024 -2.196 -12.143
27 HZ2 LYS 4 HZ2 LYS 4 -1.373 -2.588 -12.206
28 HZ3 LYS 4 HZ3 LYS 4 -2.003 -1.385 -13.227
29 H CYS 5 H CYS 5 -7.327 -1.071 -8.960
30 HA CYS 5 HA CYS 5 -7.880 -0.547 -6.797
31 HB2 CYS 5 HB2 CYS 5 -6.933 2.265 -7.072
32 HB3 CYS 5 HB3 CYS 5 -6.683 1.116 -5.756
33 H GLU 6 H GLU 6 -8.717 1.714 -9.334
34 HA GLU 6 HA GLU 6 -10.698 3.204 -8.015
35 HB2 GLU 6 HB2 GLU 6 -10.063 2.538 -10.846
36 HB3 GLU 6 HB3 GLU 6 -11.684 3.145 -10.507
37 HG2 GLU 6 HG2 GLU 6 -10.741 5.110 -9.385
38 HG3 GLU 6 HG3 GLU 6 -9.109 4.497 -9.651
39 H ASP 7 H ASP 7 -10.686 -0.036 -9.290
40 HA ASP 7 HA ASP 7 -13.503 -0.432 -9.392
41 HB2 ASP 7 HB2 ASP 7 -12.467 -2.925 -8.925
42 HB3 ASP 7 HB3 ASP 7 -12.596 -2.176 -10.515
43 H SER 8 H SER 8 -11.059 -0.769 -6.883
44 HA SER 8 HA SER 8 -13.233 -1.254 -4.937
45 HB2 SER 8 HB2 SER 8 -10.474 -2.435 -4.658
46 HB3 SER 8 HB3 SER 8 -11.933 -2.847 -3.762
47 HG SER 8 HG SER 8 -11.053 -3.705 -6.206
48 H LEU 9 H LEU 9 -13.216 1.023 -4.519
49 HA LEU 9 HA LEU 9 -10.967 2.539 -3.829
50 HB2 LEU 9 HB2 LEU 9 -13.638 3.052 -4.056
51 HB3 LEU 9 HB3 LEU 9 -13.420 3.139 -2.308
52 HG LEU 9 HG LEU 9 -11.425 4.654 -2.747
53 HD11 LEU 9 HD11 LEU 9 -10.771 4.539 -4.936
54 HD12 LEU 9 HD12 LEU 9 -11.972 5.813 -5.139
55 HD13 LEU 9 HD13 LEU 9 -12.393 4.140 -5.505
56 HD21 LEU 9 HD21 LEU 9 -13.915 5.878 -3.905
57 HD22 LEU 9 HD22 LEU 9 -12.782 6.559 -2.736
58 HD23 LEU 9 HD23 LEU 9 -13.922 5.309 -2.235
59 H ARG 10 H ARG 10 -12.436 -0.056 -2.196
60 HA ARG 10 HA ARG 10 -11.791 0.683 0.494
61 HB2 ARG 10 HB2 ARG 10 -12.480 -1.940 -0.831
62 HB3 ARG 10 HB3 ARG 10 -12.095 -1.823 0.886
63 HG2 ARG 10 HG2 ARG 10 -14.017 0.210 0.027
64 HG3 ARG 10 HG3 ARG 10 -14.605 -1.432 -0.234
65 HD2 ARG 10 HD2 ARG 10 -13.943 -1.960 2.140
66 HD3 ARG 10 HD3 ARG 10 -13.593 -0.248 2.363
67 HE ARG 10 HE ARG 10 -15.905 0.201 2.288
68 HH11 ARG 10 HH21 ARG 10 -15.149 -3.106 1.610
69 HH12 ARG 10 HH22 ARG 10 -16.782 -3.658 1.780
70 HH21 ARG 10 HH11 ARG 10 -18.048 -0.514 2.513
71 HH22 ARG 10 HH12 ARG 10 -18.423 -2.190 2.291
72 H ARG 11 H ARG 11 -10.007 -0.528 -2.169
73 HA ARG 11 HA ARG 11 -7.826 -1.501 -0.456
74 HB2 ARG 11 HB2 ARG 11 -8.601 -1.871 -3.312
75 HB3 ARG 11 HB3 ARG 11 -6.887 -1.959 -2.906
76 HG2 ARG 11 HG2 ARG 11 -7.227 -3.765 -1.398
77 HG3 ARG 11 HG3 ARG 11 -8.973 -3.508 -1.362
78 HD2 ARG 11 HD2 ARG 11 -9.149 -4.185 -3.708
79 HD3 ARG 11 HD3 ARG 11 -7.401 -4.372 -3.806
80 HE ARG 11 HE ARG 11 -7.682 -6.467 -2.881
81 HH11 ARG 11 HH21 ARG 11 -10.299 -4.393 -1.967
82 HH12 ARG 11 HH22 ARG 11 -11.154 -5.625 -1.101
83 HH21 ARG 11 HH11 ARG 11 -8.800 -8.087 -1.746
84 HH22 ARG 11 HH12 ARG 11 -10.305 -7.716 -0.976
85 H GLU 12 H GLU 12 -8.812 1.230 -2.258
86 HA GLU 12 HA GLU 12 -6.171 2.240 -2.838
87 HB2 GLU 12 HB2 GLU 12 -8.034 2.871 -4.272
88 HB3 GLU 12 HB3 GLU 12 -8.889 3.574 -2.899
89 HG2 GLU 12 HG2 GLU 12 -6.183 4.627 -3.125
90 HG3 GLU 12 HG3 GLU 12 -7.112 4.905 -4.597
91 H ILE 13 H ILE 13 -8.509 2.532 -0.252
92 HA ILE 13 HA ILE 13 -7.313 4.819 0.992
93 HB ILE 13 HB ILE 13 -9.081 2.712 2.253
94 HG12 ILE 13 HG12 ILE 13 -10.071 5.325 1.156
95 HG13 ILE 13 HG13 ILE 13 -9.834 3.971 0.053
96 HG21 ILE 13 HG21 ILE 13 -7.988 5.347 3.059
97 HG22 ILE 13 HG22 ILE 13 -8.511 3.991 4.059
98 HG23 ILE 13 HG23 ILE 13 -9.704 5.105 3.389
99 HD11 ILE 13 HD11 ILE 13 -11.553 3.959 2.550
100 HD12 ILE 13 HD12 ILE 13 -11.269 2.561 1.514
101 HD13 ILE 13 HD13 ILE 13 -12.136 3.962 0.886
102 H ALA 14 H ALA 14 -6.911 1.338 1.247
103 HA ALA 14 HA ALA 14 -5.269 1.424 3.603
104 HB1 ALA 14 HB1 ALA 14 -5.328 -0.787 1.549
105 HB2 ALA 14 HB2 ALA 14 -6.607 -0.577 2.744
106 HB3 ALA 14 HB3 ALA 14 -4.956 -0.907 3.267
107 H CYS 15 H CYS 15 -4.636 1.016 0.126
108 HA CYS 15 HA CYS 15 -1.828 0.843 0.313
109 HB2 CYS 15 HB2 CYS 15 -3.687 1.713 -1.898
110 HB3 CYS 15 HB3 CYS 15 -1.938 1.681 -2.107
111 H THR 16 H THR 16 -3.931 3.439 0.889
112 HA THR 16 HA THR 16 -2.145 5.563 0.093
113 HB THR 16 HB THR 16 -4.654 5.553 1.783
114 HG1 THR 16 HG1 THR 16 -4.096 5.608 -0.865
115 HG21 THR 16 HG21 THR 16 -2.625 7.617 1.280
116 HG22 THR 16 HG22 THR 16 -3.898 7.564 2.500
117 HG23 THR 16 HG23 THR 16 -4.264 8.122 0.868
118 H LYS 17 H LYS 17 -2.860 3.779 3.034
119 HA LYS 17 HA LYS 17 -1.424 5.540 4.780
120 HB2 LYS 17 HB2 LYS 17 -2.452 2.717 5.056
121 HB3 LYS 17 HB3 LYS 17 -1.528 3.510 6.334
122 HG2 LYS 17 HG2 LYS 17 -3.228 5.456 6.055
123 HG3 LYS 17 HG3 LYS 17 -4.226 4.263 5.222
124 HD2 LYS 17 HD2 LYS 17 -4.446 2.922 7.139
125 HD3 LYS 17 HD3 LYS 17 -3.038 3.642 7.921
126 HE2 LYS 17 HE2 LYS 17 -4.301 5.811 8.049
127 HE3 LYS 17 HE3 LYS 17 -5.723 4.962 7.442
128 HZ1 LYS 17 HZ1 LYS 17 -5.277 5.203 9.998
129 HZ2 LYS 17 HZ2 LYS 17 -4.307 3.832 9.742
130 HZ3 LYS 17 HZ3 LYS 17 -5.962 3.787 9.361
131 H CYS 18 H CYS 18 -0.568 2.938 2.660
132 HA CYS 18 HA CYS 18 1.968 2.365 3.919
133 HB2 CYS 18 HB2 CYS 18 0.398 0.989 2.171
134 HB3 CYS 18 HB3 CYS 18 1.616 1.645 1.079
135 H ARG 19 H ARG 19 0.871 4.243 1.113
136 HA ARG 19 HA ARG 19 3.449 4.970 0.191
137 HB2 ARG 19 HB2 ARG 19 2.357 6.279 -1.344
138 HB3 ARG 19 HB3 ARG 19 1.010 5.249 -0.861
139 HG2 ARG 19 HG2 ARG 19 0.442 6.988 0.894
140 HG3 ARG 19 HG3 ARG 19 1.640 8.038 0.137
141 HD2 ARG 19 HD2 ARG 19 -0.606 6.774 -1.436
142 HD3 ARG 19 HD3 ARG 19 -0.790 8.329 -0.630
143 HE ARG 19 HE ARG 19 1.465 7.997 -2.486
144 HH11 ARG 19 HH21 ARG 19 -1.653 9.289 -1.715
145 HH12 ARG 19 HH22 ARG 19 -1.620 10.484 -2.969
146 HH21 ARG 19 HH11 ARG 19 1.511 9.561 -4.134
147 HH22 ARG 19 HH12 ARG 19 0.170 10.639 -4.336
148 H ASP 20 H ASP 20 1.197 6.488 2.467
149 HA ASP 20 HA ASP 20 2.577 8.894 2.877
150 HB2 ASP 20 HB2 ASP 20 0.440 7.417 4.174
151 HB3 ASP 20 HB3 ASP 20 1.484 8.202 5.358
152 H ARG 21 H ARG 21 3.247 5.663 3.925
153 HA ARG 21 HA ARG 21 4.996 6.352 6.088
154 HB2 ARG 21 HB2 ARG 21 3.818 4.122 5.743
155 HB3 ARG 21 HB3 ARG 21 5.026 3.782 4.504
156 HG2 ARG 21 HG2 ARG 21 6.321 4.777 6.887
157 HG3 ARG 21 HG3 ARG 21 5.287 3.407 7.293
158 HD2 ARG 21 HD2 ARG 21 6.339 2.100 5.460
159 HD3 ARG 21 HD3 ARG 21 7.410 3.457 5.131
160 HE ARG 21 HE ARG 21 7.504 2.562 7.877
161 HH11 ARG 21 HH21 ARG 21 8.666 2.115 4.647
162 HH12 ARG 21 HH22 ARG 21 10.160 1.388 5.138
163 HH21 ARG 21 HH11 ARG 21 9.460 1.609 8.527
164 HH22 ARG 21 HH12 ARG 21 10.609 1.101 7.335
165 H VAL 22 H VAL 22 5.342 5.883 2.635
166 HA VAL 22 HA VAL 22 8.260 6.276 2.875
167 HB VAL 22 HB VAL 22 6.729 5.368 0.432
168 HG11 VAL 22 HG11 VAL 22 9.245 4.347 0.275
169 HG12 VAL 22 HG12 VAL 22 9.566 5.839 1.157
170 HG13 VAL 22 HG13 VAL 22 8.782 5.899 -0.422
171 HG21 VAL 22 HG21 VAL 22 8.034 3.156 1.334
172 HG22 VAL 22 HG22 VAL 22 6.346 3.505 1.705
173 HG23 VAL 22 HG23 VAL 22 7.607 3.917 2.867
174 H ARG 23 H ARG 23 5.472 7.975 2.318
175 HA ARG 23 HA ARG 23 4.949 9.953 1.252
176 HB2 ARG 23 HB2 ARG 23 7.752 10.307 2.271
177 HB3 ARG 23 HB3 ARG 23 6.941 11.609 1.402
178 HG2 ARG 23 HG2 ARG 23 5.089 11.568 2.999
179 HG3 ARG 23 HG3 ARG 23 5.824 10.205 3.846
180 HD2 ARG 23 HD2 ARG 23 6.252 12.906 4.398
181 HD3 ARG 23 HD3 ARG 23 7.213 11.556 4.994
182 HE ARG 23 HE ARG 23 8.272 12.056 2.526
183 HH11 ARG 23 HH21 ARG 23 7.552 13.967 5.321
184 HH12 ARG 23 HH22 ARG 23 8.846 15.088 5.060
185 HH21 ARG 23 HH11 ARG 23 9.972 13.520 2.178
186 HH22 ARG 23 HH12 ARG 23 10.217 14.834 3.279
187 H THR 24 H THR 24 5.815 7.855 -0.553
188 HA THR 24 HA THR 24 6.804 9.575 -2.734
189 HB THR 24 HB THR 24 7.750 6.757 -2.164
190 HG1 THR 24 HG1 THR 24 9.778 7.938 -2.023
191 HG21 THR 24 HG21 THR 24 8.264 8.685 -4.435
192 HG22 THR 24 HG22 THR 24 7.603 7.053 -4.538
193 HG23 THR 24 HG23 THR 24 9.295 7.293 -4.104
194 H ASP 25 H ASP 25 5.389 9.593 -4.337
195 HA ASP 25 HA ASP 25 3.058 8.094 -4.476
196 HB2 ASP 25 HB2 ASP 25 3.706 10.211 -5.776
197 HB3 ASP 25 HB3 ASP 25 4.475 9.122 -6.929
198 H ASP 26 H ASP 26 6.250 7.406 -5.806
199 HA ASP 26 HA ASP 26 5.539 5.240 -7.465
200 HB2 ASP 26 HB2 ASP 26 7.839 6.571 -7.019
201 HB3 ASP 26 HB3 ASP 26 8.150 5.123 -6.064
202 H TYR 27 H TYR 27 5.769 5.526 -4.034
203 HA TYR 27 HA TYR 27 6.010 2.660 -3.592
204 HB2 TYR 27 HB2 TYR 27 6.759 4.806 -2.098
205 HB3 TYR 27 HB3 TYR 27 5.225 4.390 -1.336
206 HD1 TYR 27 HD1 TYR 27 8.575 3.095 -2.273
207 HD2 TYR 27 HD2 TYR 27 4.961 2.371 -0.066
208 HE1 TYR 27 HE1 TYR 27 9.660 1.184 -1.121
209 HE2 TYR 27 HE2 TYR 27 6.046 0.460 1.084
210 HH TYR 27 HH TYR 27 9.304 -0.034 1.153
211 H PHE 28 H PHE 28 3.537 4.884 -4.233
212 HA PHE 28 HA PHE 28 1.457 3.577 -2.724
213 HB2 PHE 28 HB2 PHE 28 1.137 5.897 -3.129
214 HB3 PHE 28 HB3 PHE 28 1.483 5.720 -4.849
215 HD1 PHE 28 HD1 PHE 28 -0.869 4.467 -2.219
216 HD2 PHE 28 HD2 PHE 28 -0.282 5.477 -6.348
217 HE1 PHE 28 HE1 PHE 28 -3.269 4.052 -2.659
218 HE2 PHE 28 HE2 PHE 28 -2.680 5.064 -6.792
219 HZ PHE 28 HZ PHE 28 -4.182 4.351 -4.948
220 H TYR 29 H TYR 29 2.130 3.951 -6.216
221 HA TYR 29 HA TYR 29 0.197 2.132 -7.119
222 HB2 TYR 29 HB2 TYR 29 2.853 2.935 -8.327
223 HB3 TYR 29 HB3 TYR 29 1.634 1.981 -9.171
224 HD1 TYR 29 HD1 TYR 29 -0.859 3.029 -8.932
225 HD2 TYR 29 HD2 TYR 29 2.825 5.228 -8.710
226 HE1 TYR 29 HE1 TYR 29 -2.063 5.109 -9.539
227 HE2 TYR 29 HE2 TYR 29 1.619 7.308 -9.317
228 HH TYR 29 HH TYR 29 -0.965 8.080 -9.038
229 H GLU 30 H GLU 30 3.328 1.651 -5.701
230 HA GLU 30 HA GLU 30 3.864 -0.973 -6.590
231 HB2 GLU 30 HB2 GLU 30 4.691 0.617 -4.172
232 HB3 GLU 30 HB3 GLU 30 5.167 -1.071 -4.353
233 HG2 GLU 30 HG2 GLU 30 5.579 0.536 -6.780
234 HG3 GLU 30 HG3 GLU 30 6.542 1.071 -5.404
235 H CYS 31 H CYS 31 1.787 0.322 -4.109
236 HA CYS 31 HA CYS 31 1.343 -2.107 -2.680
237 HB2 CYS 31 HB2 CYS 31 0.906 0.094 -1.688
238 HB3 CYS 31 HB3 CYS 31 -0.351 0.393 -2.886
239 H CYS 32 H CYS 32 -0.693 -0.316 -5.011
240 HA CYS 32 HA CYS 32 -2.699 -2.286 -5.224
241 HB2 CYS 32 HB2 CYS 32 -2.134 0.257 -6.370
242 HB3 CYS 32 HB3 CYS 32 -2.457 -0.862 -7.693
243 H THR 33 H THR 33 0.445 -2.679 -5.956
244 HA THR 33 HA THR 33 0.261 -3.951 -8.534
245 HB THR 33 HB THR 33 2.503 -4.498 -6.633
246 HG1 THR 33 HG1 THR 33 3.197 -2.495 -6.723
247 HG21 THR 33 HG21 THR 33 2.955 -3.560 -9.391
248 HG22 THR 33 HG22 THR 33 2.049 -5.067 -9.271
249 HG23 THR 33 HG23 THR 33 3.650 -4.941 -8.544
250 H SER 34 H SER 34 1.968 -6.200 -7.857
251 HA SER 34 HA SER 34 0.380 -8.341 -7.853
252 HB2 SER 34 HB2 SER 34 2.468 -9.186 -7.771
253 HB3 SER 34 HB3 SER 34 3.065 -7.829 -6.820
254 HG SER 34 HG SER 34 1.338 -9.530 -5.502
255 H GLU 35 H GLU 35 -1.154 -9.243 -6.634
256 HA GLU 35 HA GLU 35 -2.252 -8.063 -4.376
257 HB2 GLU 35 HB2 GLU 35 -3.012 -10.096 -5.954
258 HB3 GLU 35 HB3 GLU 35 -2.433 -11.025 -4.571
259 HG2 GLU 35 HG2 GLU 35 -4.782 -10.554 -4.226
260 HG3 GLU 35 HG3 GLU 35 -3.856 -9.575 -3.090
261 H SER 36 H SER 36 0.329 -10.438 -4.640
262 HA SER 36 HA SER 36 0.479 -11.165 -1.911
263 HB2 SER 36 HB2 SER 36 2.192 -12.461 -2.601
264 HB3 SER 36 HB3 SER 36 1.774 -11.922 -4.225
265 HG SER 36 HG SER 36 3.732 -10.911 -2.450
266 H THR 37 H THR 37 1.760 -8.455 -3.735
267 HA THR 37 HA THR 37 3.532 -7.537 -1.670
268 HB THR 37 HB THR 37 2.388 -6.171 -4.117
269 HG1 THR 37 HG1 THR 37 5.023 -7.034 -3.570
270 HG21 THR 37 HG21 THR 37 2.918 -4.372 -2.706
271 HG22 THR 37 HG22 THR 37 4.412 -4.610 -3.612
272 HG23 THR 37 HG23 THR 37 4.271 -5.228 -1.967
273 H PHE 38 H PHE 38 0.172 -7.075 -2.484
274 HA PHE 38 HA PHE 38 -0.361 -4.721 -1.040
275 HB2 PHE 38 HB2 PHE 38 -1.859 -6.194 -2.650
276 HB3 PHE 38 HB3 PHE 38 -2.379 -6.928 -1.133
277 HD1 PHE 38 HD2 PHE 38 -2.822 -5.105 0.818
278 HD2 PHE 38 HD1 PHE 38 -3.082 -4.368 -3.405
279 HE1 PHE 38 HE2 PHE 38 -4.305 -3.166 1.249
280 HE2 PHE 38 HE1 PHE 38 -4.567 -2.428 -2.975
281 HZ PHE 38 HZ PHE 38 -5.179 -1.827 -0.647
282 H LYS 39 H LYS 39 -0.327 -8.123 -0.055
283 HA LYS 39 HA LYS 39 -1.126 -7.530 2.656
284 HB2 LYS 39 HB2 LYS 39 -1.597 -9.702 1.433
285 HB3 LYS 39 HB3 LYS 39 0.113 -10.087 1.628
286 HG2 LYS 39 HG2 LYS 39 -0.122 -9.829 4.083
287 HG3 LYS 39 HG3 LYS 39 -1.842 -9.498 3.870
288 HD2 LYS 39 HD2 LYS 39 -1.874 -11.786 4.314
289 HD3 LYS 39 HD3 LYS 39 -1.821 -11.776 2.551
290 HE2 LYS 39 HE2 LYS 39 0.716 -11.889 2.751
291 HE3 LYS 39 HE3 LYS 39 0.478 -12.222 4.466
292 HZ1 LYS 39 HZ1 LYS 39 -0.807 -14.154 3.918
293 HZ2 LYS 39 HZ2 LYS 39 0.682 -14.245 3.108
294 HZ3 LYS 39 HZ3 LYS 39 -0.723 -13.805 2.260
295 H LYS 40 H LYS 40 1.829 -7.703 0.874
296 HA LYS 40 HA LYS 40 3.619 -8.256 3.003
297 HB2 LYS 40 HB2 LYS 40 4.214 -8.406 0.588
298 HB3 LYS 40 HB3 LYS 40 4.141 -6.646 0.492
299 HG2 LYS 40 HG2 LYS 40 6.285 -6.575 1.176
300 HG3 LYS 40 HG3 LYS 40 5.762 -7.227 2.731
301 HD2 LYS 40 HD2 LYS 40 6.159 -9.475 2.034
302 HD3 LYS 40 HD3 LYS 40 6.329 -8.997 0.345
303 HE2 LYS 40 HE2 LYS 40 8.180 -7.686 2.262
304 HE3 LYS 40 HE3 LYS 40 8.449 -9.405 1.975
305 HZ1 LYS 40 HZ1 LYS 40 8.738 -9.050 -0.303
306 HZ2 LYS 40 HZ2 LYS 40 9.607 -7.788 0.432
307 HZ3 LYS 40 HZ3 LYS 40 8.078 -7.488 -0.246
308 H CYS 41 H CYS 41 2.222 -5.276 1.729
309 HA CYS 41 HA CYS 41 3.798 -3.473 3.256
310 HB2 CYS 41 HB2 CYS 41 2.702 -2.434 1.488
311 HB3 CYS 41 HB3 CYS 41 1.194 -3.297 1.781
312 H GLN 42 H GLN 42 0.400 -4.477 3.707
313 HA GLN 42 HA GLN 42 -0.233 -3.342 6.078
314 HB2 GLN 42 HB2 GLN 42 -1.723 -4.864 4.815
315 HB3 GLN 42 HB3 GLN 42 -0.776 -6.239 5.383
316 HG2 GLN 42 HG2 GLN 42 -1.288 -5.033 7.751
317 HG3 GLN 42 HG3 GLN 42 -2.724 -4.544 6.852
318 HE21 GLN 42 HE21 GLN 42 -2.348 -6.616 9.090
319 HE22 GLN 42 HE22 GLN 42 -3.029 -8.036 8.454
320 H THR 43 H THR 43 1.861 -6.155 5.630
321 HA THR 43 HA THR 43 2.189 -6.689 8.423
322 HB THR 43 HB THR 43 4.000 -7.478 6.129
323 HG1 THR 43 HG1 THR 43 2.530 -9.476 6.802
324 HG21 THR 43 HG21 THR 43 5.231 -8.240 7.874
325 HG22 THR 43 HG22 THR 43 3.993 -9.490 8.000
326 HG23 THR 43 HG23 THR 43 3.897 -8.049 9.012
327 H MET 44 H MET 44 3.900 -4.751 6.037
328 HA MET 44 HA MET 44 5.866 -3.950 8.082
329 HB2 MET 44 HB2 MET 44 5.918 -4.226 5.162
330 HB3 MET 44 HB3 MET 44 6.603 -2.704 5.733
331 HG2 MET 44 HG2 MET 44 7.951 -4.073 7.404
332 HG3 MET 44 HG3 MET 44 7.426 -5.508 6.520
333 HE1 MET 44 HE1 MET 44 9.515 -6.326 6.087
334 HE2 MET 44 HE2 MET 44 10.613 -5.074 6.664
335 HE3 MET 44 HE3 MET 44 10.774 -5.687 5.021
336 H LEU 45 H LEU 45 2.910 -3.090 7.197
337 HA LEU 45 HA LEU 45 3.424 -0.188 7.411
338 HB2 LEU 45 HB2 LEU 45 2.336 -0.402 5.372
339 HB3 LEU 45 HB3 LEU 45 1.383 -1.785 5.906
340 HG LEU 45 HG LEU 45 0.018 -0.333 7.329
341 HD11 LEU 45 HD11 LEU 45 2.216 1.526 6.773
342 HD12 LEU 45 HD12 LEU 45 1.052 1.532 8.099
343 HD13 LEU 45 HD13 LEU 45 0.628 2.257 6.549
344 HD21 LEU 45 HD21 LEU 45 0.366 0.713 4.502
345 HD22 LEU 45 HD22 LEU 45 -1.025 1.051 5.532
346 HD23 LEU 45 HD23 LEU 45 -0.698 -0.601 5.008
347 H HIS 46 H HIS 46 1.180 -2.795 8.344
348 HA HIS 46 HA HIS 46 -0.089 -1.149 10.359
349 HB2 HIS 46 HB2 HIS 46 -1.083 -3.146 8.970
350 HB3 HIS 46 HB3 HIS 46 -0.378 -4.128 10.254
351 HD1 HIS 46 HD1 HIS 46 -0.911 -2.691 12.764
352 HD2 HIS 46 HD2 HIS 46 -3.705 -2.668 9.670
353 HE1 HIS 46 HE1 HIS 46 -3.144 -2.129 13.820
354 H GLN 47 H GLN 47 2.058 -3.994 10.355
355 HA GLN 47 HA GLN 47 3.223 -4.991 12.093
356 HB2 GLN 47 HB2 GLN 47 3.916 -2.118 11.956
357 HB3 GLN 47 HB3 GLN 47 4.422 -2.958 13.422
358 HG2 GLN 47 HG2 GLN 47 5.661 -4.582 12.174
359 HG3 GLN 47 HG3 GLN 47 4.950 -4.051 10.651
360 HE21 GLN 47 HE21 GLN 47 7.567 -3.525 12.857
361 HE22 GLN 47 HE22 GLN 47 8.229 -2.170 12.076
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 -8.290 4.717 -14.680
2 H2 ALA 1 H2 ALA 1 -8.286 3.026 -14.518
3 H3 ALA 1 H3 ALA 1 -7.751 4.007 -13.238
4 HA ALA 1 HA ALA 1 -9.819 4.518 -12.542
5 HB1 ALA 1 HB1 ALA 1 -11.707 4.832 -14.038
6 HB2 ALA 1 HB2 ALA 1 -10.820 4.096 -15.373
7 HB3 ALA 1 HB3 ALA 1 -10.306 5.654 -14.725
8 H ASP 2 H ASP 2 -10.567 2.935 -11.287
9 HA ASP 2 HA ASP 2 -11.354 0.896 -10.574
10 HB2 ASP 2 HB2 ASP 2 -13.089 1.484 -12.353
11 HB3 ASP 2 HB3 ASP 2 -12.197 0.414 -13.433
12 H ASP 3 H ASP 3 -8.765 1.287 -12.429
13 HA ASP 3 HA ASP 3 -7.951 -0.910 -13.727
14 HB2 ASP 3 HB2 ASP 3 -6.645 1.142 -12.297
15 HB3 ASP 3 HB3 ASP 3 -5.919 -0.371 -11.756
16 H LYS 4 H LYS 4 -7.309 -0.741 -10.221
17 HA LYS 4 HA LYS 4 -8.320 -3.459 -9.880
18 HB2 LYS 4 HB2 LYS 4 -5.806 -3.469 -10.559
19 HB3 LYS 4 HB3 LYS 4 -5.535 -2.893 -8.914
20 HG2 LYS 4 HG2 LYS 4 -5.498 -5.136 -8.453
21 HG3 LYS 4 HG3 LYS 4 -7.246 -4.911 -8.392
22 HD2 LYS 4 HD2 LYS 4 -7.440 -5.583 -10.744
23 HD3 LYS 4 HD3 LYS 4 -5.688 -5.755 -10.853
24 HE2 LYS 4 HE2 LYS 4 -6.942 -7.240 -8.627
25 HE3 LYS 4 HE3 LYS 4 -7.382 -7.806 -10.239
26 HZ1 LYS 4 HZ1 LYS 4 -5.336 -8.830 -9.271
27 HZ2 LYS 4 HZ2 LYS 4 -4.584 -7.312 -9.401
28 HZ3 LYS 4 HZ3 LYS 4 -5.122 -8.118 -10.795
29 H CYS 5 H CYS 5 -7.086 -0.460 -8.563
30 HA CYS 5 HA CYS 5 -8.155 -1.206 -5.912
31 HB2 CYS 5 HB2 CYS 5 -6.791 1.054 -5.392
32 HB3 CYS 5 HB3 CYS 5 -6.038 -0.541 -5.371
33 H GLU 6 H GLU 6 -8.234 1.236 -8.454
34 HA GLU 6 HA GLU 6 -9.780 3.188 -7.182
35 HB2 GLU 6 HB2 GLU 6 -9.319 2.375 -10.010
36 HB3 GLU 6 HB3 GLU 6 -10.690 3.435 -9.680
37 HG2 GLU 6 HG2 GLU 6 -8.694 4.773 -10.159
38 HG3 GLU 6 HG3 GLU 6 -9.179 4.991 -8.479
39 H ASP 7 H ASP 7 -10.651 0.067 -8.451
40 HA ASP 7 HA ASP 7 -13.418 0.406 -8.780
41 HB2 ASP 7 HB2 ASP 7 -13.333 -2.152 -8.033
42 HB3 ASP 7 HB3 ASP 7 -12.748 -1.624 -9.609
43 H SER 8 H SER 8 -11.705 -0.993 -5.971
44 HA SER 8 HA SER 8 -14.079 -0.453 -4.321
45 HB2 SER 8 HB2 SER 8 -11.869 -1.812 -2.997
46 HB3 SER 8 HB3 SER 8 -13.545 -2.320 -3.191
47 HG SER 8 HG SER 8 -11.930 -3.643 -4.284
48 H LEU 9 H LEU 9 -14.038 1.588 -3.572
49 HA LEU 9 HA LEU 9 -11.937 3.297 -3.190
50 HB2 LEU 9 HB2 LEU 9 -14.384 3.031 -1.425
51 HB3 LEU 9 HB3 LEU 9 -13.328 4.441 -1.501
52 HG LEU 9 HG LEU 9 -14.680 3.316 -3.958
53 HD11 LEU 9 HD11 LEU 9 -16.425 3.927 -2.330
54 HD12 LEU 9 HD12 LEU 9 -16.385 5.086 -3.658
55 HD13 LEU 9 HD13 LEU 9 -15.669 5.504 -2.102
56 HD21 LEU 9 HD21 LEU 9 -13.235 5.859 -3.217
57 HD22 LEU 9 HD22 LEU 9 -14.345 5.815 -4.586
58 HD23 LEU 9 HD23 LEU 9 -12.923 4.772 -4.569
59 H ARG 10 H ARG 10 -12.808 0.547 -1.247
60 HA ARG 10 HA ARG 10 -11.389 1.235 1.112
61 HB2 ARG 10 HB2 ARG 10 -12.915 -0.505 1.403
62 HB3 ARG 10 HB3 ARG 10 -12.398 -1.338 -0.063
63 HG2 ARG 10 HG2 ARG 10 -10.376 -2.083 0.941
64 HG3 ARG 10 HG3 ARG 10 -10.543 -0.963 2.292
65 HD2 ARG 10 HD2 ARG 10 -12.883 -2.419 2.442
66 HD3 ARG 10 HD3 ARG 10 -11.719 -3.630 1.914
67 HE ARG 10 HE ARG 10 -10.630 -3.428 3.974
68 HH11 ARG 10 HH21 ARG 10 -13.018 -0.965 3.517
69 HH12 ARG 10 HH22 ARG 10 -12.959 -0.410 5.157
70 HH21 ARG 10 HH11 ARG 10 -10.546 -2.706 6.125
71 HH22 ARG 10 HH12 ARG 10 -11.560 -1.396 6.634
72 H ARG 11 H ARG 11 -10.488 -0.661 -1.760
73 HA ARG 11 HA ARG 11 -7.913 -1.407 -0.906
74 HB2 ARG 11 HB2 ARG 11 -9.475 -1.647 -3.266
75 HB3 ARG 11 HB3 ARG 11 -7.924 -0.953 -3.738
76 HG2 ARG 11 HG2 ARG 11 -6.706 -2.770 -2.802
77 HG3 ARG 11 HG3 ARG 11 -8.112 -3.354 -1.914
78 HD2 ARG 11 HD2 ARG 11 -8.869 -3.256 -4.643
79 HD3 ARG 11 HD3 ARG 11 -7.276 -4.008 -4.592
80 HE ARG 11 HE ARG 11 -8.528 -5.363 -2.658
81 HH11 ARG 11 HH21 ARG 11 -9.563 -4.388 -5.813
82 HH12 ARG 11 HH22 ARG 11 -10.619 -5.743 -6.036
83 HH21 ARG 11 HH11 ARG 11 -9.911 -7.142 -2.941
84 HH22 ARG 11 HH12 ARG 11 -10.815 -7.302 -4.410
85 H GLU 12 H GLU 12 -9.162 1.585 -2.158
86 HA GLU 12 HA GLU 12 -6.625 2.717 -2.888
87 HB2 GLU 12 HB2 GLU 12 -9.144 3.366 -3.526
88 HB3 GLU 12 HB3 GLU 12 -8.915 4.477 -2.176
89 HG2 GLU 12 HG2 GLU 12 -6.990 5.471 -3.216
90 HG3 GLU 12 HG3 GLU 12 -6.947 4.224 -4.462
91 H ILE 13 H ILE 13 -8.697 2.791 -0.029
92 HA ILE 13 HA ILE 13 -7.263 4.788 1.389
93 HB ILE 13 HB ILE 13 -9.028 2.539 2.375
94 HG12 ILE 13 HG12 ILE 13 -9.844 4.515 0.818
95 HG13 ILE 13 HG13 ILE 13 -10.801 4.044 2.223
96 HG21 ILE 13 HG21 ILE 13 -7.580 4.767 3.758
97 HG22 ILE 13 HG22 ILE 13 -7.891 3.122 4.311
98 HG23 ILE 13 HG23 ILE 13 -9.185 4.320 4.335
99 HD11 ILE 13 HD11 ILE 13 -10.413 6.533 2.015
100 HD12 ILE 13 HD12 ILE 13 -8.699 6.223 2.292
101 HD13 ILE 13 HD13 ILE 13 -9.879 5.837 3.545
102 H ALA 14 H ALA 14 -7.008 1.260 1.266
103 HA ALA 14 HA ALA 14 -5.047 1.079 3.342
104 HB1 ALA 14 HB1 ALA 14 -5.715 -0.886 1.138
105 HB2 ALA 14 HB2 ALA 14 -6.493 -0.821 2.720
106 HB3 ALA 14 HB3 ALA 14 -4.784 -1.238 2.593
107 H CYS 15 H CYS 15 -4.960 1.437 -0.154
108 HA CYS 15 HA CYS 15 -2.135 0.962 -0.375
109 HB2 CYS 15 HB2 CYS 15 -4.194 2.123 -2.249
110 HB3 CYS 15 HB3 CYS 15 -2.489 2.007 -2.672
111 H THR 16 H THR 16 -4.166 3.698 0.303
112 HA THR 16 HA THR 16 -2.222 5.711 -0.316
113 HB THR 16 HB THR 16 -4.629 5.835 1.520
114 HG1 THR 16 HG1 THR 16 -4.549 5.498 -1.026
115 HG21 THR 16 HG21 THR 16 -2.920 7.999 0.261
116 HG22 THR 16 HG22 THR 16 -3.027 7.621 1.980
117 HG23 THR 16 HG23 THR 16 -4.425 8.286 1.136
118 H LYS 17 H LYS 17 -3.029 3.755 2.465
119 HA LYS 17 HA LYS 17 -1.455 5.206 4.365
120 HB2 LYS 17 HB2 LYS 17 -2.611 2.415 4.333
121 HB3 LYS 17 HB3 LYS 17 -1.682 3.048 5.691
122 HG2 LYS 17 HG2 LYS 17 -3.303 4.629 6.238
123 HG3 LYS 17 HG3 LYS 17 -3.968 4.662 4.604
124 HD2 LYS 17 HD2 LYS 17 -5.316 2.853 4.973
125 HD3 LYS 17 HD3 LYS 17 -4.132 2.053 6.006
126 HE2 LYS 17 HE2 LYS 17 -5.818 4.439 6.820
127 HE3 LYS 17 HE3 LYS 17 -6.135 2.767 7.286
128 HZ1 LYS 17 HZ1 LYS 17 -4.789 3.122 8.995
129 HZ2 LYS 17 HZ2 LYS 17 -4.279 4.623 8.385
130 HZ3 LYS 17 HZ3 LYS 17 -3.497 3.195 7.899
131 H CYS 18 H CYS 18 -0.759 3.012 1.842
132 HA CYS 18 HA CYS 18 1.709 1.988 2.945
133 HB2 CYS 18 HB2 CYS 18 0.127 0.926 1.140
134 HB3 CYS 18 HB3 CYS 18 1.046 1.934 0.021
135 H ARG 19 H ARG 19 0.725 4.488 0.650
136 HA ARG 19 HA ARG 19 3.408 5.208 -0.080
137 HB2 ARG 19 HB2 ARG 19 2.431 6.662 -1.552
138 HB3 ARG 19 HB3 ARG 19 1.027 5.639 -1.249
139 HG2 ARG 19 HG2 ARG 19 0.372 7.214 0.607
140 HG3 ARG 19 HG3 ARG 19 1.674 8.282 0.083
141 HD2 ARG 19 HD2 ARG 19 -0.420 7.308 -1.853
142 HD3 ARG 19 HD3 ARG 19 -0.691 8.733 -0.854
143 HE ARG 19 HE ARG 19 1.173 8.502 -3.081
144 HH11 ARG 19 HH21 ARG 19 0.143 10.213 -0.255
145 HH12 ARG 19 HH22 ARG 19 0.879 11.709 -0.724
146 HH21 ARG 19 HH11 ARG 19 2.140 10.461 -3.703
147 HH22 ARG 19 HH12 ARG 19 2.011 11.850 -2.675
148 H ASP 20 H ASP 20 0.980 6.442 2.177
149 HA ASP 20 HA ASP 20 2.334 8.765 3.000
150 HB2 ASP 20 HB2 ASP 20 -0.077 8.018 3.510
151 HB3 ASP 20 HB3 ASP 20 0.629 7.095 4.836
152 H ARG 21 H ARG 21 2.780 5.404 3.807
153 HA ARG 21 HA ARG 21 4.255 5.747 6.208
154 HB2 ARG 21 HB2 ARG 21 3.226 3.590 5.313
155 HB3 ARG 21 HB3 ARG 21 4.622 3.487 4.240
156 HG2 ARG 21 HG2 ARG 21 6.101 3.681 6.275
157 HG3 ARG 21 HG3 ARG 21 4.650 3.546 7.269
158 HD2 ARG 21 HD2 ARG 21 4.351 1.324 6.779
159 HD3 ARG 21 HD3 ARG 21 5.012 1.487 5.154
160 HE ARG 21 HE ARG 21 7.075 0.901 6.019
161 HH11 ARG 21 HH21 ARG 21 4.997 2.081 8.521
162 HH12 ARG 21 HH22 ARG 21 6.109 1.729 9.801
163 HH21 ARG 21 HH11 ARG 21 8.539 0.438 7.692
164 HH22 ARG 21 HH12 ARG 21 8.116 0.801 9.332
165 H VAL 22 H VAL 22 5.292 5.245 2.836
166 HA VAL 22 HA VAL 22 8.028 6.017 3.583
167 HB VAL 22 HB VAL 22 7.234 5.168 0.821
168 HG11 VAL 22 HG11 VAL 22 9.562 5.934 1.491
169 HG12 VAL 22 HG12 VAL 22 9.484 4.326 0.770
170 HG13 VAL 22 HG13 VAL 22 9.654 4.502 2.516
171 HG21 VAL 22 HG21 VAL 22 6.165 3.430 2.002
172 HG22 VAL 22 HG22 VAL 22 7.358 3.457 3.302
173 HG23 VAL 22 HG23 VAL 22 7.784 2.785 1.728
174 H ARG 23 H ARG 23 5.224 7.432 2.513
175 HA ARG 23 HA ARG 23 4.706 9.393 1.425
176 HB2 ARG 23 HB2 ARG 23 7.464 10.291 2.259
177 HB3 ARG 23 HB3 ARG 23 6.010 11.272 2.065
178 HG2 ARG 23 HG2 ARG 23 4.993 9.751 3.904
179 HG3 ARG 23 HG3 ARG 23 6.661 9.294 4.243
180 HD2 ARG 23 HD2 ARG 23 6.675 12.102 4.008
181 HD3 ARG 23 HD3 ARG 23 5.255 11.713 4.975
182 HE ARG 23 HE ARG 23 7.094 10.216 6.195
183 HH11 ARG 23 HH21 ARG 23 7.235 13.455 4.984
184 HH12 ARG 23 HH22 ARG 23 8.386 13.992 6.163
185 HH21 ARG 23 HH11 ARG 23 8.600 10.914 7.745
186 HH22 ARG 23 HH12 ARG 23 9.156 12.555 7.726
187 H THR 24 H THR 24 5.899 7.342 -0.204
188 HA THR 24 HA THR 24 7.203 9.038 -2.246
189 HB THR 24 HB THR 24 7.745 6.122 -2.253
190 HG1 THR 24 HG1 THR 24 8.502 6.166 -0.312
191 HG21 THR 24 HG21 THR 24 9.642 8.453 -2.529
192 HG22 THR 24 HG22 THR 24 8.622 7.919 -3.866
193 HG23 THR 24 HG23 THR 24 9.816 6.821 -3.175
194 H ASP 25 H ASP 25 5.849 9.315 -3.891
195 HA ASP 25 HA ASP 25 3.473 8.016 -4.382
196 HB2 ASP 25 HB2 ASP 25 3.872 10.008 -5.581
197 HB3 ASP 25 HB3 ASP 25 5.394 9.408 -6.239
198 H ASP 26 H ASP 26 6.684 6.885 -4.990
199 HA ASP 26 HA ASP 26 5.982 4.921 -6.966
200 HB2 ASP 26 HB2 ASP 26 8.291 5.923 -6.589
201 HB3 ASP 26 HB3 ASP 26 8.410 4.880 -5.174
202 H TYR 27 H TYR 27 5.979 5.073 -3.496
203 HA TYR 27 HA TYR 27 5.831 2.195 -3.138
204 HB2 TYR 27 HB2 TYR 27 6.111 4.557 -1.430
205 HB3 TYR 27 HB3 TYR 27 5.020 3.345 -0.761
206 HD1 TYR 27 HD1 TYR 27 5.816 0.982 -0.457
207 HD2 TYR 27 HD2 TYR 27 8.470 4.172 -1.566
208 HE1 TYR 27 HE1 TYR 27 7.763 -0.407 0.199
209 HE2 TYR 27 HE2 TYR 27 10.416 2.784 -0.910
210 HH TYR 27 HH TYR 27 9.966 -0.520 0.363
211 H PHE 28 H PHE 28 3.699 4.422 -4.278
212 HA PHE 28 HA PHE 28 1.340 3.442 -2.881
213 HB2 PHE 28 HB2 PHE 28 1.294 5.770 -3.423
214 HB3 PHE 28 HB3 PHE 28 1.769 5.456 -5.094
215 HD1 PHE 28 HD2 PHE 28 0.194 4.505 -6.700
216 HD2 PHE 28 HD1 PHE 28 -0.969 5.317 -2.649
217 HE1 PHE 28 HE2 PHE 28 -2.183 4.239 -7.331
218 HE2 PHE 28 HE1 PHE 28 -3.348 5.048 -3.277
219 HZ PHE 28 HZ PHE 28 -3.961 4.509 -5.620
220 H TYR 29 H TYR 29 2.631 3.462 -6.199
221 HA TYR 29 HA TYR 29 0.616 1.821 -7.317
222 HB2 TYR 29 HB2 TYR 29 2.772 3.225 -8.293
223 HB3 TYR 29 HB3 TYR 29 3.277 1.551 -8.520
224 HD1 TYR 29 HD1 TYR 29 1.890 -0.009 -9.870
225 HD2 TYR 29 HD2 TYR 29 0.936 4.166 -9.534
226 HE1 TYR 29 HE1 TYR 29 0.381 -0.196 -11.829
227 HE2 TYR 29 HE2 TYR 29 -0.572 3.979 -11.494
228 HH TYR 29 HH TYR 29 -1.535 2.590 -12.944
229 H GLU 30 H GLU 30 3.338 1.155 -5.324
230 HA GLU 30 HA GLU 30 3.762 -1.560 -6.075
231 HB2 GLU 30 HB2 GLU 30 4.645 0.244 -3.908
232 HB3 GLU 30 HB3 GLU 30 4.591 -1.468 -3.484
233 HG2 GLU 30 HG2 GLU 30 5.910 -0.459 -6.012
234 HG3 GLU 30 HG3 GLU 30 6.787 -0.648 -4.493
235 H CYS 31 H CYS 31 1.382 0.067 -4.223
236 HA CYS 31 HA CYS 31 0.571 -2.230 -2.668
237 HB2 CYS 31 HB2 CYS 31 0.185 0.014 -1.786
238 HB3 CYS 31 HB3 CYS 31 -0.816 0.409 -3.185
239 H CYS 32 H CYS 32 -1.037 -0.325 -5.233
240 HA CYS 32 HA CYS 32 -3.151 -2.115 -5.655
241 HB2 CYS 32 HB2 CYS 32 -2.732 0.307 -6.580
242 HB3 CYS 32 HB3 CYS 32 -2.027 -0.552 -7.950
243 H THR 33 H THR 33 0.141 -2.483 -6.367
244 HA THR 33 HA THR 33 0.175 -3.956 -8.729
245 HB THR 33 HB THR 33 1.917 -4.946 -6.550
246 HG1 THR 33 HG1 THR 33 1.579 -2.261 -7.190
247 HG21 THR 33 HG21 THR 33 2.853 -3.642 -9.067
248 HG22 THR 33 HG22 THR 33 1.988 -5.173 -9.204
249 HG23 THR 33 HG23 THR 33 3.470 -5.079 -8.251
250 H SER 34 H SER 34 1.403 -6.410 -7.497
251 HA SER 34 HA SER 34 -0.945 -8.058 -7.604
252 HB2 SER 34 HB2 SER 34 1.676 -8.502 -8.147
253 HB3 SER 34 HB3 SER 34 1.561 -9.216 -6.541
254 HG SER 34 HG SER 34 0.087 -9.832 -8.878
255 H GLU 35 H GLU 35 -1.488 -9.645 -5.899
256 HA GLU 35 HA GLU 35 -2.137 -8.431 -3.477
257 HB2 GLU 35 HB2 GLU 35 -3.248 -10.461 -4.294
258 HB3 GLU 35 HB3 GLU 35 -1.767 -11.384 -4.034
259 HG2 GLU 35 HG2 GLU 35 -1.856 -10.713 -1.612
260 HG3 GLU 35 HG3 GLU 35 -3.433 -9.988 -1.922
261 H SER 36 H SER 36 0.623 -10.508 -4.291
262 HA SER 36 HA SER 36 1.758 -10.890 -1.810
263 HB2 SER 36 HB2 SER 36 2.959 -11.967 -3.446
264 HB3 SER 36 HB3 SER 36 2.850 -10.614 -4.570
265 HG SER 36 HG SER 36 4.918 -10.608 -3.834
266 H THR 37 H THR 37 2.183 -8.083 -3.962
267 HA THR 37 HA THR 37 3.906 -6.660 -2.201
268 HB THR 37 HB THR 37 2.207 -5.086 -4.036
269 HG1 THR 37 HG1 THR 37 2.331 -6.683 -5.438
270 HG21 THR 37 HG21 THR 37 4.479 -4.293 -4.733
271 HG22 THR 37 HG22 THR 37 5.181 -5.438 -3.590
272 HG23 THR 37 HG23 THR 37 4.176 -4.113 -3.005
273 H PHE 38 H PHE 38 0.417 -6.803 -2.621
274 HA PHE 38 HA PHE 38 -0.251 -4.561 -1.022
275 HB2 PHE 38 HB2 PHE 38 -1.657 -6.315 -2.587
276 HB3 PHE 38 HB3 PHE 38 -2.144 -6.811 -0.967
277 HD1 PHE 38 HD1 PHE 38 -2.670 -4.792 0.694
278 HD2 PHE 38 HD2 PHE 38 -2.818 -4.564 -3.594
279 HE1 PHE 38 HE1 PHE 38 -4.171 -2.823 0.849
280 HE2 PHE 38 HE2 PHE 38 -4.318 -2.596 -3.437
281 HZ PHE 38 HZ PHE 38 -4.995 -1.724 -1.216
282 H LYS 39 H LYS 39 0.054 -8.024 -0.273
283 HA LYS 39 HA LYS 39 -0.677 -7.815 2.455
284 HB2 LYS 39 HB2 LYS 39 -0.019 -9.879 0.695
285 HB3 LYS 39 HB3 LYS 39 1.243 -9.934 1.927
286 HG2 LYS 39 HG2 LYS 39 -0.545 -9.878 3.684
287 HG3 LYS 39 HG3 LYS 39 -1.750 -9.995 2.401
288 HD2 LYS 39 HD2 LYS 39 -0.045 -12.048 1.753
289 HD3 LYS 39 HD3 LYS 39 0.009 -12.077 3.515
290 HE2 LYS 39 HE2 LYS 39 -2.511 -12.046 3.518
291 HE3 LYS 39 HE3 LYS 39 -2.458 -12.239 1.766
292 HZ1 LYS 39 HZ1 LYS 39 -2.696 -14.355 2.983
293 HZ2 LYS 39 HZ2 LYS 39 -1.175 -14.094 3.694
294 HZ3 LYS 39 HZ3 LYS 39 -1.305 -14.303 2.013
295 H LYS 40 H LYS 40 2.538 -8.044 0.912
296 HA LYS 40 HA LYS 40 4.183 -7.924 3.093
297 HB2 LYS 40 HB2 LYS 40 5.016 -8.075 0.787
298 HB3 LYS 40 HB3 LYS 40 4.549 -6.397 0.503
299 HG2 LYS 40 HG2 LYS 40 6.145 -5.581 2.078
300 HG3 LYS 40 HG3 LYS 40 6.431 -7.195 2.730
301 HD2 LYS 40 HD2 LYS 40 7.357 -7.889 0.523
302 HD3 LYS 40 HD3 LYS 40 7.149 -6.236 -0.056
303 HE2 LYS 40 HE2 LYS 40 9.461 -7.057 0.999
304 HE3 LYS 40 HE3 LYS 40 8.869 -5.414 1.246
305 HZ1 LYS 40 HZ1 LYS 40 9.596 -6.760 3.279
306 HZ2 LYS 40 HZ2 LYS 40 8.124 -7.589 3.097
307 HZ3 LYS 40 HZ3 LYS 40 8.130 -5.912 3.370
308 H CYS 41 H CYS 41 2.859 -5.087 1.376
309 HA CYS 41 HA CYS 41 3.890 -3.107 3.051
310 HB2 CYS 41 HB2 CYS 41 2.813 -2.590 0.917
311 HB3 CYS 41 HB3 CYS 41 1.259 -3.129 1.551
312 H GLN 42 H GLN 42 0.734 -4.752 3.220
313 HA GLN 42 HA GLN 42 -0.278 -3.474 5.480
314 HB2 GLN 42 HB2 GLN 42 -1.531 -5.053 3.991
315 HB3 GLN 42 HB3 GLN 42 -0.673 -6.386 4.762
316 HG2 GLN 42 HG2 GLN 42 -2.756 -6.178 5.921
317 HG3 GLN 42 HG3 GLN 42 -1.528 -5.495 6.985
318 HE21 GLN 42 HE21 GLN 42 -4.030 -4.589 7.530
319 HE22 GLN 42 HE22 GLN 42 -4.269 -3.018 6.932
320 H THR 43 H THR 43 2.226 -5.843 5.177
321 HA THR 43 HA THR 43 2.174 -6.611 7.976
322 HB THR 43 HB THR 43 4.492 -7.180 6.172
323 HG1 THR 43 HG1 THR 43 2.071 -8.633 6.091
324 HG21 THR 43 HG21 THR 43 3.006 -9.110 7.926
325 HG22 THR 43 HG22 THR 43 4.081 -7.920 8.658
326 HG23 THR 43 HG23 THR 43 4.717 -9.086 7.497
327 H MET 44 H MET 44 4.210 -4.634 5.840
328 HA MET 44 HA MET 44 6.056 -3.921 7.925
329 HB2 MET 44 HB2 MET 44 6.060 -3.773 5.158
330 HB3 MET 44 HB3 MET 44 5.933 -2.087 5.658
331 HG2 MET 44 HG2 MET 44 7.854 -2.508 7.248
332 HG3 MET 44 HG3 MET 44 8.047 -4.089 6.491
333 HE1 MET 44 HE1 MET 44 10.052 -2.017 6.934
334 HE2 MET 44 HE2 MET 44 9.449 -0.478 6.325
335 HE3 MET 44 HE3 MET 44 10.775 -1.287 5.493
336 H LEU 45 H LEU 45 2.915 -2.954 7.187
337 HA LEU 45 HA LEU 45 3.131 -0.182 7.909
338 HB2 LEU 45 HB2 LEU 45 0.958 -2.071 7.215
339 HB3 LEU 45 HB3 LEU 45 0.507 -0.722 8.259
340 HG LEU 45 HG LEU 45 2.121 -0.303 5.741
341 HD11 LEU 45 HD11 LEU 45 -0.544 0.513 5.296
342 HD12 LEU 45 HD12 LEU 45 -0.649 -1.115 5.965
343 HD13 LEU 45 HD13 LEU 45 0.306 -0.820 4.512
344 HD21 LEU 45 HD21 LEU 45 1.814 1.925 6.160
345 HD22 LEU 45 HD22 LEU 45 1.580 1.370 7.818
346 HD23 LEU 45 HD23 LEU 45 0.184 1.685 6.788
347 H HIS 46 H HIS 46 2.261 -3.169 9.596
348 HA HIS 46 HA HIS 46 2.493 -1.695 12.141
349 HB2 HIS 46 HB2 HIS 46 0.077 -2.138 11.485
350 HB3 HIS 46 HB3 HIS 46 0.434 -3.854 11.677
351 HD1 HIS 46 HD1 HIS 46 -0.209 -4.666 13.936
352 HD2 HIS 46 HD2 HIS 46 1.116 -0.715 14.063
353 HE1 HIS 46 HE1 HIS 46 -0.330 -3.947 16.362
354 H GLN 47 H GLN 47 4.105 -3.692 10.419
355 HA GLN 47 HA GLN 47 5.154 -5.779 10.710
356 HB2 GLN 47 HB2 GLN 47 5.882 -3.896 12.929
357 HB3 GLN 47 HB3 GLN 47 6.583 -5.514 12.890
358 HG2 GLN 47 HG2 GLN 47 6.616 -4.113 10.295
359 HG3 GLN 47 HG3 GLN 47 7.606 -3.357 11.544
360 HE21 GLN 47 HE21 GLN 47 6.918 -6.737 10.447
361 HE22 GLN 47 HE22 GLN 47 8.543 -7.226 10.493