Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
19033 | 2ec7 RC | 7384 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 14.154 -2.091 -17.879
2 H2 ALA 1 2HT ALA 1 13.226 -2.628 -19.196
3 H3 ALA 1 3HT ALA 1 12.469 -2.218 -17.732
4 HA ALA 1 HA ALA 1 13.958 -0.285 -19.437
5 HB1 ALA 1 3HB ALA 1 12.107 -0.901 -20.724
6 HB2 ALA 1 1HB ALA 1 11.429 0.411 -19.761
7 HB3 ALA 1 2HB ALA 1 11.122 -1.265 -19.309
8 H GLN 2 H GLN 2 10.944 0.179 -17.711
9 HA GLN 2 HA GLN 2 12.034 2.415 -16.201
10 HB2 GLN 2 2HB GLN 2 9.405 0.901 -16.203
11 HB3 GLN 2 1HB GLN 2 9.681 2.364 -15.257
12 HG2 GLN 2 2HG GLN 2 10.350 3.514 -17.413
13 HG3 GLN 2 1HG GLN 2 9.782 2.083 -18.272
14 HE21 GLN 2 1HE2 GLN 2 7.450 1.422 -16.897
15 HE22 GLN 2 2HE2 GLN 2 6.333 2.696 -16.995
16 H GLN 3 H GLN 3 13.764 1.094 -15.063
17 HA GLN 3 HA GLN 3 12.696 -0.620 -12.861
18 HB2 GLN 3 2HB GLN 3 14.893 -0.725 -14.656
19 HB3 GLN 3 1HB GLN 3 15.568 -0.486 -13.043
20 HG2 GLN 3 2HG GLN 3 13.476 -2.583 -13.677
21 HG3 GLN 3 1HG GLN 3 15.210 -2.910 -13.680
22 HE21 GLN 3 1HE2 GLN 3 16.277 -3.120 -11.643
23 HE22 GLN 3 2HE2 GLN 3 15.463 -3.029 -10.158
24 H ARG 4 H ARG 4 11.967 1.278 -11.604
25 HA ARG 4 HA ARG 4 13.980 2.207 -9.739
26 HB2 ARG 4 2HB ARG 4 14.354 4.358 -10.526
27 HB3 ARG 4 1HB ARG 4 14.120 3.520 -12.056
28 HG2 ARG 4 2HG ARG 4 11.900 4.932 -10.547
29 HG3 ARG 4 1HG ARG 4 12.823 5.666 -11.854
30 HD2 ARG 4 2HD ARG 4 11.804 4.375 -13.481
31 HD3 ARG 4 1HD ARG 4 11.582 2.995 -12.391
32 HE ARG 4 HE ARG 4 9.614 4.038 -11.507
33 HH11 ARG 4 1HH2 ARG 4 11.464 6.576 -12.693
34 HH12 ARG 4 2HH2 ARG 4 10.136 7.476 -13.338
35 HH21 ARG 4 1HH1 ARG 4 7.818 4.957 -12.801
36 HH22 ARG 4 2HH1 ARG 4 8.073 6.563 -13.398
37 H LYS 5 H LYS 5 12.965 2.959 -7.859
38 HA LYS 5 HA LYS 5 10.114 3.770 -7.956
39 HB2 LYS 5 2HB LYS 5 11.028 1.113 -7.447
40 HB3 LYS 5 1HB LYS 5 10.404 1.764 -5.932
41 HG2 LYS 5 2HG LYS 5 8.417 1.027 -6.815
42 HG3 LYS 5 1HG LYS 5 8.460 2.617 -7.580
43 HD2 LYS 5 2HD LYS 5 9.997 1.005 -9.265
44 HD3 LYS 5 1HD LYS 5 8.638 -0.021 -8.803
45 HE2 LYS 5 2HE LYS 5 8.138 2.831 -9.644
46 HE3 LYS 5 1HE LYS 5 8.340 1.560 -10.866
47 HZ1 LYS 5 3HZ LYS 5 6.738 0.239 -9.387
48 HZ2 LYS 5 1HZ LYS 5 6.085 1.459 -10.368
49 HZ3 LYS 5 2HZ LYS 5 6.328 1.742 -8.710
50 H VAL 6 H VAL 6 9.547 5.028 -6.140
51 HA VAL 6 HA VAL 6 11.797 5.798 -4.349
52 HB VAL 6 HB VAL 6 9.027 7.002 -4.495
53 HG11 VAL 6 1HG1 VAL 6 11.595 7.643 -3.267
54 HG12 VAL 6 2HG1 VAL 6 10.002 8.330 -2.951
55 HG13 VAL 6 3HG1 VAL 6 10.993 8.969 -4.263
56 HG21 VAL 6 3HG2 VAL 6 10.988 6.825 -6.619
57 HG22 VAL 6 1HG2 VAL 6 10.783 8.504 -6.122
58 HG23 VAL 6 2HG2 VAL 6 9.387 7.564 -6.652
59 H ILE 7 H ILE 7 11.005 6.275 -2.003
60 HA ILE 7 HA ILE 7 10.484 4.089 -0.522
61 HB ILE 7 HB ILE 7 10.268 6.936 -0.274
62 HG12 ILE 7 2HG1 ILE 7 11.784 5.220 0.873
63 HG13 ILE 7 1HG1 ILE 7 11.156 6.516 1.891
64 HG21 ILE 7 1HG2 ILE 7 8.070 5.370 1.097
65 HG22 ILE 7 2HG2 ILE 7 7.911 6.820 0.103
66 HG23 ILE 7 3HG2 ILE 7 8.647 6.923 1.703
67 HD11 ILE 7 3HD1 ILE 7 9.345 4.223 1.768
68 HD12 ILE 7 1HD1 ILE 7 9.987 5.070 3.176
69 HD13 ILE 7 2HD1 ILE 7 10.931 3.794 2.408
70 H ARG 8 H ARG 8 8.976 2.497 -0.978
71 HA ARG 8 HA ARG 8 6.371 3.136 -2.137
72 HB2 ARG 8 2HB ARG 8 6.109 0.718 -2.117
73 HB3 ARG 8 1HB ARG 8 7.759 1.094 -2.610
74 HG2 ARG 8 2HG ARG 8 8.332 0.885 -0.087
75 HG3 ARG 8 1HG ARG 8 6.783 0.050 0.041
76 HD2 ARG 8 2HD ARG 8 7.687 -1.842 -0.815
77 HD3 ARG 8 1HD ARG 8 8.285 -0.956 -2.232
78 HE ARG 8 HE ARG 8 9.988 -0.155 -0.202
79 HH11 ARG 8 1HH2 ARG 8 9.470 -2.815 1.061
80 HH12 ARG 8 2HH2 ARG 8 10.686 -3.811 0.335
81 HH21 ARG 8 1HH1 ARG 8 11.332 -1.590 -2.250
82 HH22 ARG 8 2HH1 ARG 8 11.741 -3.117 -1.541
83 H CYS 9 H CYS 9 4.620 3.689 -0.979
84 HA CYS 9 HA CYS 9 4.582 3.818 1.891
85 HB2 CYS 9 2HB CYS 9 3.250 5.413 0.889
86 HB3 CYS 9 1HB CYS 9 2.811 4.348 -0.444
87 H TRP 10 H TRP 10 4.598 1.999 3.077
88 HA TRP 10 HA TRP 10 3.452 -0.503 2.264
89 HB2 TRP 10 2HB TRP 10 5.264 -0.282 3.886
90 HB3 TRP 10 1HB TRP 10 4.250 0.685 4.939
91 HD1 TRP 10 HD TRP 10 5.276 -2.774 4.216
92 HE1 TRP 10 1HE TRP 10 3.934 -4.456 5.631
93 HE3 TRP 10 3HE TRP 10 1.630 0.298 6.008
94 HZ2 TRP 10 2HZ TRP 10 1.619 -4.486 7.309
95 HZ3 TRP 10 3HZ TRP 10 -0.126 -0.570 7.515
96 HH2 TRP 10 HH TRP 10 -0.132 -2.953 8.171
97 H ASN 11 H ASN 11 1.533 -1.451 3.258
98 HA ASN 11 HA ASN 11 -0.642 -1.422 4.282
99 HB2 ASN 11 2HB ASN 11 -1.238 0.401 5.517
100 HB3 ASN 11 1HB ASN 11 0.372 0.983 5.167
101 HD21 ASN 11 1HD2 ASN 11 -2.730 2.033 5.183
102 HD22 ASN 11 2HD2 ASN 11 -2.674 3.177 3.931
103 H CYS 12 H CYS 12 0.153 0.970 1.780
104 HA CYS 12 HA CYS 12 -2.245 0.024 0.240
105 HB2 CYS 12 2HB CYS 12 -2.451 2.339 -0.530
106 HB3 CYS 12 1HB CYS 12 -2.400 2.318 1.234
107 H GLY 13 H GLY 13 1.152 0.921 0.210
108 HA2 GLY 13 2HA GLY 13 2.800 0.240 -1.350
109 HA3 GLY 13 1HA GLY 13 1.525 -0.478 -2.334
110 H LYS 14 H LYS 14 2.833 2.706 -1.368
111 HA LYS 14 HA LYS 14 2.354 3.642 -4.160
112 HB2 LYS 14 2HB LYS 14 0.389 4.307 -2.914
113 HB3 LYS 14 1HB LYS 14 1.380 4.923 -1.590
114 HG2 LYS 14 2HG LYS 14 0.465 6.672 -3.226
115 HG3 LYS 14 1HG LYS 14 2.200 6.733 -2.911
116 HD2 LYS 14 2HD LYS 14 2.563 5.343 -4.970
117 HD3 LYS 14 1HD LYS 14 0.837 5.469 -5.308
118 HE2 LYS 14 2HE LYS 14 1.075 7.561 -6.151
119 HE3 LYS 14 1HE LYS 14 2.048 8.081 -4.761
120 HZ1 LYS 14 3HZ LYS 14 3.889 6.705 -5.717
121 HZ2 LYS 14 1HZ LYS 14 3.488 8.078 -6.629
122 HZ3 LYS 14 2HZ LYS 14 2.959 6.545 -7.130
123 H GLU 15 H GLU 15 4.387 4.259 -4.788
124 HA GLU 15 HA GLU 15 6.582 4.864 -3.107
125 HB2 GLU 15 2HB GLU 15 6.041 6.007 -5.861
126 HB3 GLU 15 1HB GLU 15 7.607 5.622 -5.153
127 HG2 GLU 15 2HG GLU 15 5.484 3.735 -6.166
128 HG3 GLU 15 1HG GLU 15 7.194 3.798 -6.584
129 H GLY 16 H GLY 16 6.219 6.446 -1.491
130 HA2 GLY 16 2HA GLY 16 6.506 9.170 -2.127
131 HA3 GLY 16 1HA GLY 16 4.773 8.887 -1.975
132 H HIS 17 H HIS 17 5.157 6.793 0.106
133 HA HIS 17 HA HIS 17 6.445 8.225 2.344
134 HB2 HIS 17 2HB HIS 17 4.190 8.214 3.568
135 HB3 HIS 17 1HB HIS 17 4.356 9.386 2.262
136 HD1 HIS 17 1HD HIS 17 3.558 8.222 -0.212
137 HD2 HIS 17 2HD HIS 17 1.845 6.811 3.318
138 HE1 HIS 17 1HE HIS 17 1.412 7.053 -0.873
139 H SER 18 H SER 18 5.060 6.804 4.415
140 HA SER 18 HA SER 18 5.803 3.973 3.736
141 HB2 SER 18 2HB SER 18 6.736 3.835 5.969
142 HB3 SER 18 1HB SER 18 7.385 5.281 5.192
143 HG SER 18 HG SER 18 6.650 6.161 6.980
144 H ALA 19 H ALA 19 4.998 3.091 6.409
145 HA ALA 19 HA ALA 19 2.089 2.842 5.922
146 HB1 ALA 19 3HB ALA 19 2.393 1.156 7.825
147 HB2 ALA 19 1HB ALA 19 4.112 1.538 7.762
148 HB3 ALA 19 2HB ALA 19 3.316 0.829 6.367
149 H ARG 20 H ARG 20 4.156 4.775 7.837
150 HA ARG 20 HA ARG 20 2.474 5.036 10.192
151 HB2 ARG 20 2HB ARG 20 4.780 5.488 10.423
152 HB3 ARG 20 1HB ARG 20 4.819 6.483 8.968
153 HG2 ARG 20 2HG ARG 20 3.990 8.336 10.044
154 HG3 ARG 20 1HG ARG 20 3.016 7.381 11.163
155 HD2 ARG 20 2HD ARG 20 4.650 7.935 12.675
156 HD3 ARG 20 1HD ARG 20 5.570 6.641 11.881
157 HE ARG 20 HE ARG 20 5.919 8.917 10.273
158 HH11 ARG 20 1HH1 ARG 20 5.798 9.797 13.336
159 HH12 ARG 20 2HH1 ARG 20 7.495 9.999 13.615
160 HH21 ARG 20 1HH2 ARG 20 8.438 8.381 10.697
161 HH22 ARG 20 2HH2 ARG 20 8.991 9.197 12.120
162 H GLN 21 H GLN 21 2.706 6.753 7.103
163 HA GLN 21 HA GLN 21 0.645 8.701 8.050
164 HB2 GLN 21 2HB GLN 21 2.542 9.800 7.173
165 HB3 GLN 21 1HB GLN 21 2.733 8.623 5.875
166 HG2 GLN 21 2HG GLN 21 0.873 9.486 4.672
167 HG3 GLN 21 1HG GLN 21 0.300 10.404 6.066
168 HE21 GLN 21 1HE2 GLN 21 0.494 12.545 5.256
169 HE22 GLN 21 2HE2 GLN 21 1.971 13.219 4.733
170 H CYS 22 H CYS 22 1.078 5.933 6.059
171 HA CYS 22 HA CYS 22 -1.209 6.547 4.283
172 HB2 CYS 22 2HB CYS 22 1.149 5.221 4.012
173 HB3 CYS 22 1HB CYS 22 0.053 3.875 4.320
174 H ARG 23 H ARG 23 -3.235 5.842 4.651
175 HA ARG 23 HA ARG 23 -3.747 3.413 6.247
176 HB2 ARG 23 2HB ARG 23 -3.791 6.040 7.335
177 HB3 ARG 23 1HB ARG 23 -5.471 5.514 7.192
178 HG2 ARG 23 2HG ARG 23 -3.239 3.950 8.515
179 HG3 ARG 23 1HG ARG 23 -4.527 4.816 9.355
180 HD2 ARG 23 2HD ARG 23 -5.217 2.723 7.289
181 HD3 ARG 23 1HD ARG 23 -4.845 2.251 8.959
182 HE ARG 23 HE ARG 23 -7.007 4.195 8.228
183 HH11 ARG 23 1HH1 ARG 23 -6.496 1.166 9.499
184 HH12 ARG 23 2HH1 ARG 23 -7.389 1.418 10.961
185 HH21 ARG 23 1HH2 ARG 23 -7.760 4.829 10.463
186 HH22 ARG 23 2HH2 ARG 23 -8.100 3.491 11.508
187 H ALA 24 H ALA 24 -4.145 4.696 3.473
188 HA ALA 24 HA ALA 24 -6.690 5.389 2.724
189 HB1 ALA 24 3HB ALA 24 -6.208 3.809 0.726
190 HB2 ALA 24 1HB ALA 24 -4.724 3.398 1.587
191 HB3 ALA 24 2HB ALA 24 -5.014 5.061 1.075
192 HA PRO 25 HA PRO 25 -9.499 2.167 3.758
193 HB2 PRO 25 2HB PRO 25 -11.137 2.094 1.568
194 HB3 PRO 25 1HB PRO 25 -11.172 3.415 2.755
195 HG2 PRO 25 2HG PRO 25 -9.897 3.318 0.069
196 HG3 PRO 25 1HG PRO 25 -10.737 4.653 0.873
197 HD2 PRO 25 2HD PRO 25 -8.016 4.455 0.708
198 HD3 PRO 25 1HD PRO 25 -8.867 5.315 2.012
199 H ARG 26 H ARG 26 -8.325 1.937 0.406
200 HA ARG 26 HA ARG 26 -8.814 -0.737 -0.137
201 HB2 ARG 26 2HB ARG 26 -6.827 -0.460 -1.669
202 HB3 ARG 26 1HB ARG 26 -8.011 0.842 -1.781
203 HG2 ARG 26 2HG ARG 26 -6.109 2.121 -1.553
204 HG3 ARG 26 1HG ARG 26 -6.473 1.878 0.154
205 HD2 ARG 26 2HD ARG 26 -4.110 1.365 -0.218
206 HD3 ARG 26 1HD ARG 26 -4.960 -0.158 0.101
207 HE ARG 26 HE ARG 26 -4.331 -0.782 -2.082
208 HH11 ARG 26 1HH2 ARG 26 -2.671 1.807 -2.290
209 HH12 ARG 26 2HH2 ARG 26 -3.293 2.466 -3.764
210 HH21 ARG 26 1HH1 ARG 26 -6.081 0.407 -3.817
211 HH22 ARG 26 2HH1 ARG 26 -5.223 1.672 -4.630
212 H ARG 27 H ARG 27 -6.645 0.600 2.159
213 HA ARG 27 HA ARG 27 -4.434 -0.828 2.480
214 HB2 ARG 27 2HB ARG 27 -6.296 0.473 4.132
215 HB3 ARG 27 1HB ARG 27 -5.912 -1.044 4.940
216 HG2 ARG 27 2HG ARG 27 -3.593 0.370 3.779
217 HG3 ARG 27 1HG ARG 27 -4.379 1.200 5.125
218 HD2 ARG 27 2HD ARG 27 -4.119 -1.657 5.657
219 HD3 ARG 27 1HD ARG 27 -2.544 -0.897 5.362
220 HE ARG 27 HE ARG 27 -3.079 0.736 7.135
221 HH11 ARG 27 1HH1 ARG 27 -6.096 -0.275 6.691
222 HH12 ARG 27 2HH1 ARG 27 -6.393 -0.878 8.286
223 HH21 ARG 27 1HH2 ARG 27 -3.060 -0.767 9.236
224 HH22 ARG 27 2HH2 ARG 27 -4.675 -1.155 9.729
225 H GLN 28 H GLN 28 -3.821 -2.793 3.595
226 HA GLN 28 HA GLN 28 -5.871 -4.973 3.588
227 HB2 GLN 28 2HB GLN 28 -3.955 -6.391 2.610
228 HB3 GLN 28 1HB GLN 28 -4.684 -5.213 1.520
229 HG2 GLN 28 2HG GLN 28 -2.851 -3.592 2.243
230 HG3 GLN 28 1HG GLN 28 -2.065 -4.968 3.017
231 HE21 GLN 28 1HE2 GLN 28 -0.567 -3.878 1.044
232 HE22 GLN 28 2HE2 GLN 28 -0.628 -4.806 -0.386
233 H GLY 29 H GLY 29 -5.923 -5.662 5.691
234 HA2 GLY 29 2HA GLY 29 -4.277 -5.070 7.793
235 HA3 GLY 29 1HA GLY 29 -5.072 -6.635 7.682
236 H CYS 30 H CYS 30 -3.884 -8.289 6.292
237 HA CYS 30 HA CYS 30 -1.125 -8.475 7.185
238 HB2 CYS 30 2HB CYS 30 -1.224 -10.605 6.005
239 HB3 CYS 30 1HB CYS 30 -2.743 -10.363 6.866
240 H TRP 31 H TRP 31 0.646 -8.940 5.532
241 HA TRP 31 HA TRP 31 0.278 -7.297 3.060
242 HB2 TRP 31 2HB TRP 31 1.767 -6.684 5.371
243 HB3 TRP 31 1HB TRP 31 2.954 -7.153 4.149
244 HD1 TRP 31 HD TRP 31 -0.353 -5.166 3.980
245 HE1 TRP 31 1HE TRP 31 0.070 -3.019 2.605
246 HE3 TRP 31 3HE TRP 31 4.598 -5.741 3.007
247 HZ2 TRP 31 2HZ TRP 31 2.248 -1.732 1.260
248 HZ3 TRP 31 3HZ TRP 31 5.839 -4.055 1.678
249 HH2 TRP 31 HH TRP 31 4.669 -2.049 0.804
250 H LYS 32 H LYS 32 1.905 -9.983 4.667
251 HA LYS 32 HA LYS 32 3.702 -10.730 2.596
252 HB2 LYS 32 2HB LYS 32 3.739 -11.656 4.859
253 HB3 LYS 32 1HB LYS 32 2.133 -12.350 4.633
254 HG2 LYS 32 2HG LYS 32 4.038 -13.989 4.330
255 HG3 LYS 32 1HG LYS 32 2.943 -13.872 2.951
256 HD2 LYS 32 2HD LYS 32 4.478 -12.397 1.785
257 HD3 LYS 32 1HD LYS 32 5.538 -12.327 3.194
258 HE2 LYS 32 2HE LYS 32 6.649 -14.045 2.166
259 HE3 LYS 32 1HE LYS 32 5.317 -15.051 2.770
260 HZ1 LYS 32 3HZ LYS 32 5.660 -15.163 0.309
261 HZ2 LYS 32 1HZ LYS 32 5.201 -13.534 0.222
262 HZ3 LYS 32 2HZ LYS 32 4.095 -14.695 0.781
263 H CYS 33 H CYS 33 0.240 -10.958 2.831
264 HA CYS 33 HA CYS 33 0.177 -12.448 0.229
265 HB2 CYS 33 2HB CYS 33 -1.928 -13.512 1.206
266 HB3 CYS 33 1HB CYS 33 -0.417 -13.995 1.978
267 H GLY 34 H GLY 34 -1.443 -10.187 2.442
268 HA2 GLY 34 2HA GLY 34 -2.613 -8.207 1.825
269 HA3 GLY 34 1HA GLY 34 -2.525 -8.713 0.136
270 H LYS 35 H LYS 35 -4.536 -8.532 2.870
271 HA LYS 35 HA LYS 35 -6.718 -9.879 1.382
272 HB2 LYS 35 2HB LYS 35 -5.318 -10.873 3.805
273 HB3 LYS 35 1HB LYS 35 -7.078 -11.005 3.818
274 HG2 LYS 35 2HG LYS 35 -6.617 -11.909 1.331
275 HG3 LYS 35 1HG LYS 35 -5.088 -12.374 2.077
276 HD2 LYS 35 2HD LYS 35 -6.589 -14.227 2.369
277 HD3 LYS 35 1HD LYS 35 -6.443 -13.439 3.940
278 HE2 LYS 35 2HE LYS 35 -8.803 -13.865 3.559
279 HE3 LYS 35 1HE LYS 35 -8.549 -12.121 3.345
280 HZ1 LYS 35 3HZ LYS 35 -9.260 -14.109 1.392
281 HZ2 LYS 35 1HZ LYS 35 -7.936 -13.166 0.910
282 HZ3 LYS 35 2HZ LYS 35 -9.406 -12.418 1.317
283 H THR 36 H THR 36 -6.411 -9.092 4.823
284 HA THR 36 HA THR 36 -7.739 -6.530 4.687
285 HB THR 36 HB THR 36 -9.514 -8.165 3.922
286 HG1 THR 36 1HG THR 36 -10.017 -6.190 5.001
287 HG21 THR 36 3HG2 THR 36 -8.533 -9.842 5.738
288 HG22 THR 36 1HG2 THR 36 -10.234 -9.894 5.272
289 HG23 THR 36 2HG2 THR 36 -9.750 -9.074 6.758
290 H GLY 37 H GLY 37 -9.137 -6.641 7.121
291 HA2 GLY 37 2HA GLY 37 -7.514 -6.015 9.148
292 HA3 GLY 37 1HA GLY 37 -8.898 -7.055 9.469
293 H HIS 38 H HIS 38 -8.095 -9.441 8.295
294 HA HIS 38 HA HIS 38 -6.561 -10.719 10.236
295 HB2 HIS 38 2HB HIS 38 -7.154 -12.424 8.869
296 HB3 HIS 38 1HB HIS 38 -7.704 -11.242 7.688
297 HD1 HIS 38 1HD HIS 38 -6.744 -11.852 5.476
298 HD2 HIS 38 2HD HIS 38 -3.982 -12.425 8.546
299 HE1 HIS 38 1HE HIS 38 -4.600 -12.625 4.373
300 H VAL 39 H VAL 39 -4.314 -11.155 10.476
301 HA VAL 39 HA VAL 39 -2.471 -9.632 8.671
302 HB VAL 39 HB VAL 39 -1.329 -8.793 10.656
303 HG11 VAL 39 1HG1 VAL 39 -3.603 -7.808 9.784
304 HG12 VAL 39 2HG1 VAL 39 -2.936 -7.230 11.311
305 HG13 VAL 39 3HG1 VAL 39 -4.239 -8.419 11.313
306 HG21 VAL 39 3HG2 VAL 39 -3.301 -9.733 12.613
307 HG22 VAL 39 1HG2 VAL 39 -1.540 -9.736 12.707
308 HG23 VAL 39 2HG2 VAL 39 -2.381 -11.050 11.887
309 H MET 40 H MET 40 -0.122 -10.376 9.103
310 HA MET 40 HA MET 40 0.258 -13.082 8.566
311 HB2 MET 40 2HB MET 40 1.877 -10.900 9.835
312 HB3 MET 40 1HB MET 40 2.557 -12.526 9.760
313 HG2 MET 40 2HG MET 40 1.546 -12.211 7.219
314 HG3 MET 40 1HG MET 40 2.101 -10.580 7.596
315 HE1 MET 40 3HE MET 40 3.570 -13.938 9.102
316 HE2 MET 40 1HE MET 40 4.621 -14.424 7.765
317 HE3 MET 40 2HE MET 40 2.879 -14.302 7.524
318 H ALA 41 H ALA 41 -0.006 -11.511 11.738
319 HA ALA 41 HA ALA 41 0.747 -13.608 13.463
320 HB1 ALA 41 3HB ALA 41 -1.712 -11.970 13.984
321 HB2 ALA 41 1HB ALA 41 -0.174 -11.130 13.772
322 HB3 ALA 41 2HB ALA 41 -0.361 -12.320 15.064
323 H LYS 42 H LYS 42 -2.107 -13.207 11.494
324 HA LYS 42 HA LYS 42 -3.055 -15.908 12.340
325 HB2 LYS 42 2HB LYS 42 -4.140 -13.251 12.881
326 HB3 LYS 42 1HB LYS 42 -5.325 -14.302 12.086
327 HG2 LYS 42 2HG LYS 42 -4.163 -15.981 13.956
328 HG3 LYS 42 1HG LYS 42 -4.225 -14.435 14.804
329 HD2 LYS 42 2HD LYS 42 -6.646 -15.329 13.280
330 HD3 LYS 42 1HD LYS 42 -6.311 -16.068 14.846
331 HE2 LYS 42 2HE LYS 42 -6.698 -14.105 16.008
332 HE3 LYS 42 1HE LYS 42 -6.144 -13.083 14.666
333 HZ1 LYS 42 3HZ LYS 42 -8.129 -13.217 13.608
334 HZ2 LYS 42 1HZ LYS 42 -8.706 -13.433 15.188
335 HZ3 LYS 42 2HZ LYS 42 -8.467 -14.782 14.181
336 H CYS 43 H CYS 43 -1.762 -14.832 9.864
337 HA CYS 43 HA CYS 43 -3.870 -14.621 7.842
338 HB2 CYS 43 2HB CYS 43 -1.578 -13.515 7.852
339 HB3 CYS 43 1HB CYS 43 -0.897 -15.105 7.511
340 HA PRO 44 HA PRO 44 -4.161 -19.036 7.413
341 HB2 PRO 44 2HB PRO 44 -5.917 -19.033 5.318
342 HB3 PRO 44 1HB PRO 44 -6.409 -18.702 6.989
343 HG2 PRO 44 2HG PRO 44 -5.963 -16.821 4.741
344 HG3 PRO 44 1HG PRO 44 -7.138 -16.748 6.061
345 HD2 PRO 44 2HD PRO 44 -4.803 -15.282 5.950
346 HD3 PRO 44 1HD PRO 44 -5.701 -15.650 7.438
347 H GLU 45 H GLU 45 -3.251 -16.787 4.886
348 HA GLU 45 HA GLU 45 -1.913 -17.065 2.957
349 HB2 GLU 45 2HB GLU 45 -0.997 -19.117 4.964
350 HB3 GLU 45 1HB GLU 45 -0.211 -19.007 3.388
351 HG2 GLU 45 2HG GLU 45 -0.219 -16.395 4.030
352 HG3 GLU 45 1HG GLU 45 -0.186 -17.078 5.656
353 H ARG 46 H ARG 46 -3.804 -17.706 1.653
354 HA ARG 46 HA ARG 46 -4.879 -19.150 0.129
355 HB2 ARG 46 2HB ARG 46 -2.375 -20.772 0.697
356 HB3 ARG 46 1HB ARG 46 -3.422 -20.951 -0.710
357 HG2 ARG 46 2HG ARG 46 -2.858 -18.234 -0.683
358 HG3 ARG 46 1HG ARG 46 -1.331 -18.970 -0.194
359 HD2 ARG 46 2HD ARG 46 -2.910 -19.491 -2.729
360 HD3 ARG 46 1HD ARG 46 -1.234 -18.931 -2.578
361 HE ARG 46 HE ARG 46 -0.705 -21.175 -1.574
362 HH11 ARG 46 1HH1 ARG 46 -3.968 -20.988 -2.488
363 HH12 ARG 46 2HH1 ARG 46 -4.005 -22.541 -3.252
364 HH21 ARG 46 1HH2 ARG 46 -0.598 -23.082 -2.934
365 HH22 ARG 46 2HH2 ARG 46 -2.102 -23.724 -3.506
366 H GLN 47 H GLN 47 -6.706 -19.957 1.133
367 HA GLN 47 HA GLN 47 -6.380 -22.468 2.743
368 HB2 GLN 47 2HB GLN 47 -6.918 -20.163 3.901
369 HB3 GLN 47 1HB GLN 47 -8.539 -20.436 3.261
370 HG2 GLN 47 2HG GLN 47 -8.760 -21.525 5.282
371 HG3 GLN 47 1HG GLN 47 -8.135 -22.861 4.313
372 HE21 GLN 47 1HE2 GLN 47 -6.562 -23.955 5.493
373 HE22 GLN 47 2HE2 GLN 47 -5.384 -23.217 6.467
374 H ALA 48 H ALA 48 -9.459 -22.237 2.979
375 HA ALA 48 HA ALA 48 -10.020 -23.566 0.372
376 HB1 ALA 48 3HB ALA 48 -12.024 -24.374 1.614
377 HB2 ALA 48 1HB ALA 48 -11.533 -23.399 3.000
378 HB3 ALA 48 2HB ALA 48 -10.526 -24.744 2.469
379 H GLY 49 H GLY 49 -9.796 -20.643 0.473
380 HA2 GLY 49 2HA GLY 49 -12.643 -19.926 -0.117
381 HA3 GLY 49 1HA GLY 49 -11.499 -18.778 0.581
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 20.207 14.211 3.328
2 H2 ALA 1 2HT ALA 1 18.641 13.557 3.254
3 H3 ALA 1 3HT ALA 1 18.857 15.239 3.362
4 HA ALA 1 HA ALA 1 18.277 14.402 1.079
5 HB1 ALA 1 3HB ALA 1 20.232 16.267 2.100
6 HB2 ALA 1 1HB ALA 1 19.170 16.444 0.702
7 HB3 ALA 1 2HB ALA 1 20.748 15.678 0.520
8 H GLN 2 H GLN 2 18.885 13.026 -0.606
9 HA GLN 2 HA GLN 2 20.040 11.263 -1.678
10 HB2 GLN 2 2HB GLN 2 21.877 13.290 -0.822
11 HB3 GLN 2 1HB GLN 2 22.655 11.719 -0.621
12 HG2 GLN 2 2HG GLN 2 22.056 11.138 -2.956
13 HG3 GLN 2 1HG GLN 2 21.330 12.734 -3.154
14 HE21 GLN 2 1HE2 GLN 2 23.831 11.433 -4.421
15 HE22 GLN 2 2HE2 GLN 2 25.057 12.578 -4.165
16 H GLN 3 H GLN 3 21.158 9.192 -1.186
17 HA GLN 3 HA GLN 3 21.459 7.284 0.181
18 HB2 GLN 3 2HB GLN 3 22.568 9.652 1.500
19 HB3 GLN 3 1HB GLN 3 22.133 8.384 2.646
20 HG2 GLN 3 2HG GLN 3 23.921 7.163 2.038
21 HG3 GLN 3 1HG GLN 3 23.414 7.204 0.349
22 HE21 GLN 3 1HE2 GLN 3 25.001 8.113 -0.957
23 HE22 GLN 3 2HE2 GLN 3 26.043 9.371 -0.498
24 H ARG 4 H ARG 4 20.757 6.440 2.499
25 HA ARG 4 HA ARG 4 18.961 5.934 3.954
26 HB2 ARG 4 2HB ARG 4 17.910 8.701 3.380
27 HB3 ARG 4 1HB ARG 4 17.911 7.816 4.904
28 HG2 ARG 4 2HG ARG 4 20.255 9.151 3.535
29 HG3 ARG 4 1HG ARG 4 19.589 9.499 5.128
30 HD2 ARG 4 2HD ARG 4 20.229 7.108 5.780
31 HD3 ARG 4 1HD ARG 4 21.168 7.059 4.274
32 HE ARG 4 HE ARG 4 21.641 8.998 6.501
33 HH11 ARG 4 1HH2 ARG 4 23.572 6.772 5.729
34 HH12 ARG 4 2HH2 ARG 4 24.736 7.647 4.792
35 HH21 ARG 4 1HH1 ARG 4 22.701 10.420 4.360
36 HH22 ARG 4 2HH1 ARG 4 24.244 9.711 4.017
37 H LYS 5 H LYS 5 16.530 5.657 3.902
38 HA LYS 5 HA LYS 5 15.557 5.526 1.068
39 HB2 LYS 5 2HB LYS 5 15.593 3.733 3.371
40 HB3 LYS 5 1HB LYS 5 13.966 3.909 2.709
41 HG2 LYS 5 2HG LYS 5 15.187 3.592 0.398
42 HG3 LYS 5 1HG LYS 5 16.443 2.846 1.387
43 HD2 LYS 5 2HD LYS 5 13.607 2.018 1.854
44 HD3 LYS 5 1HD LYS 5 14.429 1.402 0.421
45 HE2 LYS 5 2HE LYS 5 16.271 0.544 1.836
46 HE3 LYS 5 1HE LYS 5 15.434 1.151 3.280
47 HZ1 LYS 5 3HZ LYS 5 14.532 -0.932 1.379
48 HZ2 LYS 5 1HZ LYS 5 13.444 -0.133 2.405
49 HZ3 LYS 5 2HZ LYS 5 14.711 -1.052 3.064
50 H VAL 6 H VAL 6 13.039 5.657 1.001
51 HA VAL 6 HA VAL 6 12.219 7.973 2.701
52 HB VAL 6 HB VAL 6 10.959 6.950 0.146
53 HG11 VAL 6 1HG1 VAL 6 11.040 9.701 1.425
54 HG12 VAL 6 2HG1 VAL 6 9.681 8.582 1.532
55 HG13 VAL 6 3HG1 VAL 6 10.150 9.253 -0.030
56 HG21 VAL 6 3HG2 VAL 6 13.031 7.409 -0.735
57 HG22 VAL 6 1HG2 VAL 6 13.484 8.456 0.609
58 HG23 VAL 6 2HG2 VAL 6 12.432 9.066 -0.668
59 H ILE 7 H ILE 7 11.964 5.912 4.237
60 HA ILE 7 HA ILE 7 10.517 4.311 5.271
61 HB ILE 7 HB ILE 7 8.722 6.690 4.758
62 HG12 ILE 7 2HG1 ILE 7 11.289 6.486 6.072
63 HG13 ILE 7 1HG1 ILE 7 10.284 7.911 5.841
64 HG21 ILE 7 1HG2 ILE 7 7.753 4.582 5.809
65 HG22 ILE 7 2HG2 ILE 7 7.612 6.045 6.785
66 HG23 ILE 7 3HG2 ILE 7 8.853 4.850 7.161
67 HD11 ILE 7 3HD1 ILE 7 9.026 7.402 7.868
68 HD12 ILE 7 1HD1 ILE 7 10.748 7.440 8.245
69 HD13 ILE 7 2HD1 ILE 7 9.916 5.894 8.074
70 H ARG 8 H ARG 8 9.943 2.524 3.981
71 HA ARG 8 HA ARG 8 8.101 2.777 1.715
72 HB2 ARG 8 2HB ARG 8 10.057 1.106 2.187
73 HB3 ARG 8 1HB ARG 8 8.866 0.236 3.156
74 HG2 ARG 8 2HG ARG 8 7.432 0.697 0.883
75 HG3 ARG 8 1HG ARG 8 9.057 0.527 0.220
76 HD2 ARG 8 2HD ARG 8 8.158 -1.477 2.263
77 HD3 ARG 8 1HD ARG 8 7.551 -1.627 0.602
78 HE ARG 8 HE ARG 8 10.366 -1.898 1.438
79 HH11 ARG 8 1HH1 ARG 8 8.246 -3.113 -0.710
80 HH12 ARG 8 2HH1 ARG 8 9.216 -2.903 -2.129
81 HH21 ARG 8 1HH2 ARG 8 11.555 -0.885 -0.555
82 HH22 ARG 8 2HH2 ARG 8 11.089 -1.642 -2.042
83 H CYS 9 H CYS 9 6.045 3.419 2.378
84 HA CYS 9 HA CYS 9 4.782 2.722 4.839
85 HB2 CYS 9 2HB CYS 9 4.155 4.628 3.458
86 HB3 CYS 9 1HB CYS 9 3.688 3.553 2.137
87 H TRP 10 H TRP 10 3.189 1.188 5.306
88 HA TRP 10 HA TRP 10 3.202 -1.302 3.694
89 HB2 TRP 10 2HB TRP 10 2.077 -0.491 6.398
90 HB3 TRP 10 1HB TRP 10 1.918 -2.101 5.722
91 HD1 TRP 10 HD TRP 10 3.747 -3.731 6.219
92 HE1 TRP 10 1HE TRP 10 6.093 -3.619 7.264
93 HE3 TRP 10 3HE TRP 10 4.297 1.323 6.567
94 HZ2 TRP 10 2HZ TRP 10 7.958 -1.625 8.145
95 HZ3 TRP 10 3HZ TRP 10 6.351 2.304 7.518
96 HH2 TRP 10 HH TRP 10 8.172 0.842 8.308
97 H ASN 11 H ASN 11 0.913 0.741 5.414
98 HA ASN 11 HA ASN 11 -1.533 -0.018 4.750
99 HB2 ASN 11 2HB ASN 11 -1.106 2.015 5.946
100 HB3 ASN 11 1HB ASN 11 -0.348 2.750 4.533
101 HD21 ASN 11 1HD2 ASN 11 -3.382 0.848 4.607
102 HD22 ASN 11 2HD2 ASN 11 -4.372 2.109 4.057
103 H CYS 12 H CYS 12 -0.155 2.425 2.560
104 HA CYS 12 HA CYS 12 -1.778 1.303 0.348
105 HB2 CYS 12 2HB CYS 12 -1.424 3.434 -0.650
106 HB3 CYS 12 1HB CYS 12 -1.600 3.753 1.074
107 H GLY 13 H GLY 13 1.441 1.171 1.519
108 HA2 GLY 13 2HA GLY 13 3.293 -0.009 0.669
109 HA3 GLY 13 1HA GLY 13 2.280 -0.526 -0.678
110 H LYS 14 H LYS 14 4.201 2.202 0.531
111 HA LYS 14 HA LYS 14 5.353 2.753 -2.038
112 HB2 LYS 14 2HB LYS 14 2.704 3.505 -1.830
113 HB3 LYS 14 1HB LYS 14 3.553 5.002 -1.442
114 HG2 LYS 14 2HG LYS 14 3.933 3.296 -3.919
115 HG3 LYS 14 1HG LYS 14 3.209 4.901 -3.848
116 HD2 LYS 14 2HD LYS 14 5.923 4.683 -2.681
117 HD3 LYS 14 1HD LYS 14 5.829 4.468 -4.428
118 HE2 LYS 14 2HE LYS 14 4.836 6.622 -4.743
119 HE3 LYS 14 1HE LYS 14 4.509 6.800 -3.008
120 HZ1 LYS 14 3HZ LYS 14 7.160 6.687 -4.340
121 HZ2 LYS 14 1HZ LYS 14 6.957 6.556 -2.661
122 HZ3 LYS 14 2HZ LYS 14 6.503 7.984 -3.462
123 H GLU 15 H GLU 15 7.229 3.797 -1.531
124 HA GLU 15 HA GLU 15 7.861 4.753 1.075
125 HB2 GLU 15 2HB GLU 15 9.038 4.512 -1.567
126 HB3 GLU 15 1HB GLU 15 9.544 6.013 -0.793
127 HG2 GLU 15 2HG GLU 15 10.812 4.928 0.735
128 HG3 GLU 15 1HG GLU 15 9.567 3.715 1.029
129 H GLY 16 H GLY 16 7.933 6.887 1.918
130 HA2 GLY 16 2HA GLY 16 7.884 9.356 1.030
131 HA3 GLY 16 1HA GLY 16 6.309 8.872 0.402
132 H HIS 17 H HIS 17 6.139 7.085 2.961
133 HA HIS 17 HA HIS 17 5.869 9.080 5.100
134 HB2 HIS 17 2HB HIS 17 3.330 8.469 5.200
135 HB3 HIS 17 1HB HIS 17 3.864 9.654 4.010
136 HD1 HIS 17 1HD HIS 17 4.259 8.687 1.520
137 HD2 HIS 17 2HD HIS 17 2.139 6.204 4.110
138 HE1 HIS 17 1HE HIS 17 3.091 6.970 0.070
139 H SER 18 H SER 18 4.202 7.775 6.813
140 HA SER 18 HA SER 18 5.618 5.178 7.239
141 HB2 SER 18 2HB SER 18 4.357 5.760 9.576
142 HB3 SER 18 1HB SER 18 5.960 6.371 9.165
143 HG SER 18 HG SER 18 4.685 8.105 9.734
144 H ALA 19 H ALA 19 4.172 3.523 8.441
145 HA ALA 19 HA ALA 19 1.725 3.130 6.855
146 HB1 ALA 19 3HB ALA 19 2.609 1.065 7.131
147 HB2 ALA 19 1HB ALA 19 1.954 1.115 8.763
148 HB3 ALA 19 2HB ALA 19 3.623 1.597 8.469
149 H ARG 20 H ARG 20 2.506 4.616 9.807
150 HA ARG 20 HA ARG 20 -0.029 3.971 11.173
151 HB2 ARG 20 2HB ARG 20 2.074 4.225 12.409
152 HB3 ARG 20 1HB ARG 20 2.273 5.858 11.772
153 HG2 ARG 20 2HG ARG 20 0.153 6.527 12.879
154 HG3 ARG 20 1HG ARG 20 0.015 4.906 13.560
155 HD2 ARG 20 2HD ARG 20 1.079 6.709 15.076
156 HD3 ARG 20 1HD ARG 20 1.996 5.200 14.890
157 HE ARG 20 HE ARG 20 3.472 6.335 13.325
158 HH11 ARG 20 1HH1 ARG 20 0.756 8.274 13.448
159 HH12 ARG 20 2HH1 ARG 20 1.608 9.776 13.580
160 HH21 ARG 20 1HH2 ARG 20 4.700 8.283 14.060
161 HH22 ARG 20 2HH2 ARG 20 3.842 9.781 13.926
162 H GLN 21 H GLN 21 1.395 6.617 9.302
163 HA GLN 21 HA GLN 21 -0.869 8.423 9.872
164 HB2 GLN 21 2HB GLN 21 0.447 9.989 8.559
165 HB3 GLN 21 1HB GLN 21 1.544 9.121 9.633
166 HG2 GLN 21 2HG GLN 21 2.321 7.717 7.870
167 HG3 GLN 21 1HG GLN 21 1.007 8.209 6.801
168 HE21 GLN 21 1HE2 GLN 21 4.109 9.218 8.174
169 HE22 GLN 21 2HE2 GLN 21 4.321 10.569 7.153
170 H CYS 22 H CYS 22 0.223 6.251 7.319
171 HA CYS 22 HA CYS 22 -1.780 7.245 5.389
172 HB2 CYS 22 2HB CYS 22 0.687 5.918 5.317
173 HB3 CYS 22 1HB CYS 22 -0.482 4.698 4.811
174 H ARG 23 H ARG 23 -3.768 6.405 5.153
175 HA ARG 23 HA ARG 23 -4.410 3.855 6.581
176 HB2 ARG 23 2HB ARG 23 -5.653 5.362 7.785
177 HB3 ARG 23 1HB ARG 23 -5.581 6.576 6.511
178 HG2 ARG 23 2HG ARG 23 -7.887 5.819 6.817
179 HG3 ARG 23 1HG ARG 23 -7.293 5.311 5.236
180 HD2 ARG 23 2HD ARG 23 -8.068 3.249 5.884
181 HD3 ARG 23 1HD ARG 23 -6.552 3.175 6.804
182 HE ARG 23 HE ARG 23 -9.090 3.294 8.022
183 HH11 ARG 23 1HH2 ARG 23 -6.071 3.418 9.076
184 HH12 ARG 23 2HH2 ARG 23 -6.256 4.699 10.228
185 HH21 ARG 23 1HH1 ARG 23 -9.367 5.668 9.048
186 HH22 ARG 23 2HH1 ARG 23 -8.121 5.972 10.212
187 H ALA 24 H ALA 24 -4.371 5.583 3.601
188 HA ALA 24 HA ALA 24 -5.355 5.124 1.480
189 HB1 ALA 24 3HB ALA 24 -5.079 2.234 2.156
190 HB2 ALA 24 1HB ALA 24 -3.637 3.231 2.348
191 HB3 ALA 24 2HB ALA 24 -4.436 3.127 0.779
192 HA PRO 25 HA PRO 25 -9.481 3.566 1.729
193 HB2 PRO 25 2HB PRO 25 -9.805 1.720 -0.255
194 HB3 PRO 25 1HB PRO 25 -9.583 3.450 -0.576
195 HG2 PRO 25 2HG PRO 25 -7.685 1.218 -0.892
196 HG3 PRO 25 1HG PRO 25 -7.779 2.754 -1.760
197 HD2 PRO 25 2HD PRO 25 -5.988 2.103 0.302
198 HD3 PRO 25 1HD PRO 25 -6.284 3.719 -0.372
199 H ARG 26 H ARG 26 -8.622 0.391 0.532
200 HA ARG 26 HA ARG 26 -9.867 -0.920 2.720
201 HB2 ARG 26 2HB ARG 26 -9.828 -2.699 1.275
202 HB3 ARG 26 1HB ARG 26 -9.543 -1.396 0.127
203 HG2 ARG 26 2HG ARG 26 -7.493 -3.235 1.375
204 HG3 ARG 26 1HG ARG 26 -7.904 -3.082 -0.329
205 HD2 ARG 26 2HD ARG 26 -7.069 -0.525 0.806
206 HD3 ARG 26 1HD ARG 26 -5.812 -1.757 0.951
207 HE ARG 26 HE ARG 26 -7.228 -1.230 -1.631
208 HH11 ARG 26 1HH1 ARG 26 -4.367 -0.864 0.149
209 HH12 ARG 26 2HH1 ARG 26 -3.312 -1.358 -1.134
210 HH21 ARG 26 1HH2 ARG 26 -5.894 -2.279 -3.258
211 HH22 ARG 26 2HH2 ARG 26 -4.178 -2.162 -3.061
212 H ARG 27 H ARG 27 -6.634 0.180 2.356
213 HA ARG 27 HA ARG 27 -4.671 -0.291 3.609
214 HB2 ARG 27 2HB ARG 27 -6.785 -1.533 5.393
215 HB3 ARG 27 1HB ARG 27 -5.143 -1.120 5.888
216 HG2 ARG 27 2HG ARG 27 -5.611 1.234 5.151
217 HG3 ARG 27 1HG ARG 27 -7.301 0.768 4.949
218 HD2 ARG 27 2HD ARG 27 -7.425 1.456 7.162
219 HD3 ARG 27 1HD ARG 27 -6.845 -0.193 7.456
220 HE ARG 27 HE ARG 27 -4.707 1.737 6.910
221 HH11 ARG 27 1HH2 ARG 27 -5.963 -0.590 9.011
222 HH12 ARG 27 2HH2 ARG 27 -5.202 0.040 10.430
223 HH21 ARG 27 1HH1 ARG 27 -4.019 2.896 8.863
224 HH22 ARG 27 2HH1 ARG 27 -4.100 2.008 10.348
225 H GLN 28 H GLN 28 -3.241 -2.088 4.176
226 HA GLN 28 HA GLN 28 -3.883 -4.526 2.642
227 HB2 GLN 28 2HB GLN 28 -1.644 -4.407 2.306
228 HB3 GLN 28 1HB GLN 28 -1.579 -2.998 3.351
229 HG2 GLN 28 2HG GLN 28 -1.643 -5.671 4.680
230 HG3 GLN 28 1HG GLN 28 -0.165 -5.210 3.850
231 HE21 GLN 28 1HE2 GLN 28 -2.473 -3.079 5.598
232 HE22 GLN 28 2HE2 GLN 28 -1.322 -2.509 6.719
233 H GLY 29 H GLY 29 -5.284 -5.830 3.753
234 HA2 GLY 29 2HA GLY 29 -5.930 -6.065 6.380
235 HA3 GLY 29 1HA GLY 29 -5.793 -7.503 5.368
236 H CYS 30 H CYS 30 -3.873 -8.764 5.492
237 HA CYS 30 HA CYS 30 -2.581 -8.860 8.043
238 HB2 CYS 30 2HB CYS 30 -2.889 -10.484 5.906
239 HB3 CYS 30 1HB CYS 30 -1.234 -9.945 5.636
240 H TRP 31 H TRP 31 -0.767 -7.800 8.774
241 HA TRP 31 HA TRP 31 0.377 -5.667 7.123
242 HB2 TRP 31 2HB TRP 31 0.118 -6.444 9.894
243 HB3 TRP 31 1HB TRP 31 1.773 -5.940 9.538
244 HD1 TRP 31 HD TRP 31 -1.689 -4.674 8.378
245 HE1 TRP 31 1HE TRP 31 -1.710 -2.092 8.616
246 HE3 TRP 31 3HE TRP 31 2.978 -3.974 10.243
247 HZ2 TRP 31 2HZ TRP 31 0.068 -0.010 9.512
248 HZ3 TRP 31 3HZ TRP 31 3.812 -1.697 10.786
249 HH2 TRP 31 HH TRP 31 2.363 0.282 10.419
250 H LYS 32 H LYS 32 2.031 -8.174 9.081
251 HA LYS 32 HA LYS 32 4.379 -7.948 7.355
252 HB2 LYS 32 2HB LYS 32 5.225 -9.706 8.962
253 HB3 LYS 32 1HB LYS 32 4.650 -8.228 9.735
254 HG2 LYS 32 2HG LYS 32 2.427 -10.008 9.399
255 HG3 LYS 32 1HG LYS 32 3.744 -10.887 10.177
256 HD2 LYS 32 2HD LYS 32 2.918 -8.133 11.093
257 HD3 LYS 32 1HD LYS 32 2.147 -9.590 11.722
258 HE2 LYS 32 2HE LYS 32 4.165 -10.377 12.698
259 HE3 LYS 32 1HE LYS 32 5.159 -9.270 11.732
260 HZ1 LYS 32 3HZ LYS 32 3.122 -7.908 13.215
261 HZ2 LYS 32 1HZ LYS 32 4.789 -7.604 13.148
262 HZ3 LYS 32 2HZ LYS 32 4.180 -8.762 14.233
263 H CYS 33 H CYS 33 1.969 -8.962 5.979
264 HA CYS 33 HA CYS 33 3.084 -11.585 5.090
265 HB2 CYS 33 2HB CYS 33 0.167 -11.111 5.741
266 HB3 CYS 33 1HB CYS 33 0.922 -12.643 5.324
267 H GLY 34 H GLY 34 0.143 -9.629 4.489
268 HA2 GLY 34 2HA GLY 34 -0.132 -8.272 2.463
269 HA3 GLY 34 1HA GLY 34 1.006 -9.346 1.650
270 H LYS 35 H LYS 35 -2.073 -9.755 3.466
271 HA LYS 35 HA LYS 35 -3.159 -11.237 1.110
272 HB2 LYS 35 2HB LYS 35 -2.378 -12.259 3.762
273 HB3 LYS 35 1HB LYS 35 -3.998 -12.739 3.258
274 HG2 LYS 35 2HG LYS 35 -1.819 -12.945 1.230
275 HG3 LYS 35 1HG LYS 35 -1.829 -14.135 2.532
276 HD2 LYS 35 2HD LYS 35 -3.747 -15.128 1.793
277 HD3 LYS 35 1HD LYS 35 -4.455 -13.599 1.270
278 HE2 LYS 35 2HE LYS 35 -2.106 -14.765 -0.225
279 HE3 LYS 35 1HE LYS 35 -3.759 -15.303 -0.580
280 HZ1 LYS 35 3HZ LYS 35 -2.523 -12.713 -1.032
281 HZ2 LYS 35 1HZ LYS 35 -4.096 -12.659 -0.400
282 HZ3 LYS 35 2HZ LYS 35 -3.796 -13.468 -1.864
283 H THR 36 H THR 36 -5.539 -12.075 2.270
284 HA THR 36 HA THR 36 -6.791 -9.543 3.287
285 HB THR 36 HB THR 36 -8.713 -10.141 1.808
286 HG1 THR 36 1HG THR 36 -8.733 -12.003 0.861
287 HG21 THR 36 3HG2 THR 36 -6.339 -8.960 1.114
288 HG22 THR 36 1HG2 THR 36 -7.766 -9.019 0.080
289 HG23 THR 36 2HG2 THR 36 -6.486 -10.216 -0.115
290 H GLY 37 H GLY 37 -8.740 -9.927 4.596
291 HA2 GLY 37 2HA GLY 37 -10.119 -11.172 6.059
292 HA3 GLY 37 1HA GLY 37 -9.474 -12.652 5.344
293 H HIS 38 H HIS 38 -6.829 -12.576 5.812
294 HA HIS 38 HA HIS 38 -6.676 -12.818 8.750
295 HB2 HIS 38 2HB HIS 38 -5.731 -14.640 7.633
296 HB3 HIS 38 1HB HIS 38 -5.099 -13.639 6.329
297 HD1 HIS 38 1HD HIS 38 -2.765 -14.857 6.788
298 HD2 HIS 38 2HD HIS 38 -4.117 -12.402 9.873
299 HE1 HIS 38 1HE HIS 38 -0.776 -14.445 8.299
300 H VAL 39 H VAL 39 -6.626 -10.603 9.436
301 HA VAL 39 HA VAL 39 -4.403 -8.909 8.388
302 HB VAL 39 HB VAL 39 -5.679 -7.092 9.366
303 HG11 VAL 39 1HG1 VAL 39 -6.511 -7.994 7.220
304 HG12 VAL 39 2HG1 VAL 39 -7.835 -7.380 8.209
305 HG13 VAL 39 3HG1 VAL 39 -7.548 -9.117 8.098
306 HG21 VAL 39 3HG2 VAL 39 -6.589 -9.190 11.109
307 HG22 VAL 39 1HG2 VAL 39 -7.990 -8.414 10.370
308 HG23 VAL 39 2HG2 VAL 39 -6.823 -7.450 11.272
309 H MET 40 H MET 40 -3.231 -7.604 10.117
310 HA MET 40 HA MET 40 -1.851 -9.180 11.969
311 HB2 MET 40 2HB MET 40 -1.113 -7.063 12.865
312 HB3 MET 40 1HB MET 40 -1.401 -6.816 11.143
313 HG2 MET 40 2HG MET 40 -2.671 -5.057 11.824
314 HG3 MET 40 1HG MET 40 -3.879 -6.287 12.189
315 HE1 MET 40 3HE MET 40 -3.071 -3.364 13.163
316 HE2 MET 40 1HE MET 40 -1.417 -3.594 13.747
317 HE3 MET 40 2HE MET 40 -2.713 -3.229 14.883
318 H ALA 41 H ALA 41 -5.029 -7.749 12.249
319 HA ALA 41 HA ALA 41 -5.486 -7.643 15.017
320 HB1 ALA 41 3HB ALA 41 -7.340 -8.769 12.894
321 HB2 ALA 41 1HB ALA 41 -7.017 -7.045 13.087
322 HB3 ALA 41 2HB ALA 41 -7.813 -7.944 14.380
323 H LYS 42 H LYS 42 -5.618 -10.414 12.828
324 HA LYS 42 HA LYS 42 -5.905 -12.222 15.196
325 HB2 LYS 42 2HB LYS 42 -7.251 -11.817 12.659
326 HB3 LYS 42 1HB LYS 42 -6.706 -13.497 12.825
327 HG2 LYS 42 2HG LYS 42 -8.265 -11.984 14.943
328 HG3 LYS 42 1HG LYS 42 -8.997 -13.086 13.774
329 HD2 LYS 42 2HD LYS 42 -6.707 -13.968 15.531
330 HD3 LYS 42 1HD LYS 42 -8.377 -14.054 16.093
331 HE2 LYS 42 2HE LYS 42 -8.879 -15.326 13.910
332 HE3 LYS 42 1HE LYS 42 -7.119 -15.499 13.752
333 HZ1 LYS 42 3HZ LYS 42 -7.776 -17.338 15.020
334 HZ2 LYS 42 1HZ LYS 42 -8.861 -16.430 15.956
335 HZ3 LYS 42 2HZ LYS 42 -7.187 -16.231 16.167
336 H CYS 43 H CYS 43 -3.646 -11.185 12.982
337 HA CYS 43 HA CYS 43 -2.478 -13.759 12.225
338 HB2 CYS 43 2HB CYS 43 -2.374 -11.561 10.956
339 HB3 CYS 43 1HB CYS 43 -1.264 -10.978 12.196
340 HA PRO 44 HA PRO 44 -0.506 -13.941 16.261
341 HB2 PRO 44 2HB PRO 44 0.186 -16.578 16.088
342 HB3 PRO 44 1HB PRO 44 -1.447 -16.034 16.518
343 HG2 PRO 44 2HG PRO 44 -0.434 -17.132 13.966
344 HG3 PRO 44 1HG PRO 44 -2.038 -17.261 14.698
345 HD2 PRO 44 2HD PRO 44 -1.336 -15.552 12.618
346 HD3 PRO 44 1HD PRO 44 -2.782 -15.407 13.637
347 H GLU 45 H GLU 45 0.826 -15.049 13.176
348 HA GLU 45 HA GLU 45 3.033 -15.006 12.341
349 HB2 GLU 45 2HB GLU 45 3.190 -12.999 14.612
350 HB3 GLU 45 1HB GLU 45 4.441 -13.200 13.386
351 HG2 GLU 45 2HG GLU 45 3.291 -11.880 11.978
352 HG3 GLU 45 1HG GLU 45 1.918 -12.984 12.056
353 H ARG 46 H ARG 46 4.972 -16.147 12.700
354 HA ARG 46 HA ARG 46 6.293 -17.803 13.768
355 HB2 ARG 46 2HB ARG 46 5.849 -15.878 16.074
356 HB3 ARG 46 1HB ARG 46 7.237 -16.942 15.843
357 HG2 ARG 46 2HG ARG 46 6.493 -14.889 13.765
358 HG3 ARG 46 1HG ARG 46 7.496 -14.459 15.150
359 HD2 ARG 46 2HD ARG 46 8.255 -16.918 13.621
360 HD3 ARG 46 1HD ARG 46 8.606 -15.341 12.884
361 HE ARG 46 HE ARG 46 9.512 -14.905 15.388
362 HH11 ARG 46 1HH1 ARG 46 9.996 -17.415 13.081
363 HH12 ARG 46 2HH1 ARG 46 11.451 -17.996 13.818
364 HH21 ARG 46 1HH2 ARG 46 11.334 -15.745 16.451
365 HH22 ARG 46 2HH2 ARG 46 12.208 -17.051 15.726
366 H GLN 47 H GLN 47 4.610 -19.483 13.766
367 HA GLN 47 HA GLN 47 3.074 -19.752 16.315
368 HB2 GLN 47 2HB GLN 47 2.742 -20.479 13.470
369 HB3 GLN 47 1HB GLN 47 2.203 -21.715 14.609
370 HG2 GLN 47 2HG GLN 47 0.702 -20.187 15.692
371 HG3 GLN 47 1HG GLN 47 1.389 -18.808 14.830
372 HE21 GLN 47 1HE2 GLN 47 0.604 -18.366 12.711
373 HE22 GLN 47 2HE2 GLN 47 -0.595 -19.293 11.949
374 H ALA 48 H ALA 48 5.490 -21.337 14.292
375 HA ALA 48 HA ALA 48 5.700 -23.540 16.311
376 HB1 ALA 48 3HB ALA 48 6.457 -24.888 14.510
377 HB2 ALA 48 1HB ALA 48 6.869 -23.483 13.526
378 HB3 ALA 48 2HB ALA 48 5.179 -23.904 13.800
379 H GLY 49 H GLY 49 7.209 -22.734 17.798
380 HA2 GLY 49 2HA GLY 49 9.940 -22.867 17.364
381 HA3 GLY 49 1HA GLY 49 9.535 -21.199 16.956
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 17.835 17.496 -2.070
2 H2 ALA 1 2HT ALA 1 18.907 18.809 -2.189
3 H3 ALA 1 3HT ALA 1 19.489 17.268 -1.775
4 HA ALA 1 HA ALA 1 18.630 18.279 -4.406
5 HB1 ALA 1 3HB ALA 1 20.843 17.958 -4.798
6 HB2 ALA 1 1HB ALA 1 20.798 16.337 -4.105
7 HB3 ALA 1 2HB ALA 1 21.009 17.739 -3.057
8 H GLN 2 H GLN 2 16.522 16.895 -3.815
9 HA GLN 2 HA GLN 2 15.252 14.958 -4.288
10 HB2 GLN 2 2HB GLN 2 17.335 15.329 -6.255
11 HB3 GLN 2 1HB GLN 2 17.019 13.607 -6.042
12 HG2 GLN 2 2HG GLN 2 14.892 15.707 -6.555
13 HG3 GLN 2 1HG GLN 2 15.545 14.613 -7.774
14 HE21 GLN 2 1HE2 GLN 2 12.814 14.434 -7.292
15 HE22 GLN 2 2HE2 GLN 2 12.460 13.017 -6.426
16 H GLN 3 H GLN 3 15.781 12.345 -4.588
17 HA GLN 3 HA GLN 3 16.463 10.400 -3.428
18 HB2 GLN 3 2HB GLN 3 18.663 11.888 -4.135
19 HB3 GLN 3 1HB GLN 3 18.902 11.706 -2.397
20 HG2 GLN 3 2HG GLN 3 18.295 9.395 -4.260
21 HG3 GLN 3 1HG GLN 3 19.925 9.855 -3.767
22 HE21 GLN 3 1HE2 GLN 3 16.853 8.518 -2.583
23 HE22 GLN 3 2HE2 GLN 3 17.472 7.952 -1.108
24 H ARG 4 H ARG 4 14.958 10.340 -1.701
25 HA ARG 4 HA ARG 4 15.953 10.769 0.962
26 HB2 ARG 4 2HB ARG 4 14.460 12.724 1.496
27 HB3 ARG 4 1HB ARG 4 15.734 13.112 0.337
28 HG2 ARG 4 2HG ARG 4 14.219 13.651 -1.238
29 HG3 ARG 4 1HG ARG 4 13.400 12.102 -1.043
30 HD2 ARG 4 2HD ARG 4 11.801 12.979 0.351
31 HD3 ARG 4 1HD ARG 4 12.952 14.081 1.135
32 HE ARG 4 HE ARG 4 12.392 15.702 -0.486
33 HH11 ARG 4 1HH1 ARG 4 9.810 14.178 -0.952
34 HH12 ARG 4 2HH1 ARG 4 9.833 13.981 -2.673
35 HH21 ARG 4 1HH2 ARG 4 13.200 14.749 -2.981
36 HH22 ARG 4 2HH2 ARG 4 11.753 14.304 -3.821
37 H LYS 5 H LYS 5 14.894 9.109 1.957
38 HA LYS 5 HA LYS 5 11.945 8.822 1.504
39 HB2 LYS 5 2HB LYS 5 12.428 6.322 1.637
40 HB3 LYS 5 1HB LYS 5 13.049 7.123 0.195
41 HG2 LYS 5 2HG LYS 5 15.271 7.310 1.241
42 HG3 LYS 5 1HG LYS 5 14.657 6.523 2.695
43 HD2 LYS 5 2HD LYS 5 14.054 4.531 1.299
44 HD3 LYS 5 1HD LYS 5 14.832 5.310 -0.078
45 HE2 LYS 5 2HE LYS 5 16.926 5.490 1.423
46 HE3 LYS 5 1HE LYS 5 16.113 4.311 2.473
47 HZ1 LYS 5 3HZ LYS 5 15.780 2.888 0.536
48 HZ2 LYS 5 1HZ LYS 5 17.430 3.174 0.801
49 HZ3 LYS 5 2HZ LYS 5 16.615 3.999 -0.441
50 H VAL 6 H VAL 6 10.884 8.926 3.462
51 HA VAL 6 HA VAL 6 12.441 8.170 5.915
52 HB VAL 6 HB VAL 6 11.802 10.652 5.289
53 HG11 VAL 6 1HG1 VAL 6 9.649 11.364 5.711
54 HG12 VAL 6 2HG1 VAL 6 9.325 10.053 6.845
55 HG13 VAL 6 3HG1 VAL 6 9.310 9.741 5.111
56 HG21 VAL 6 3HG2 VAL 6 12.748 10.639 7.358
57 HG22 VAL 6 1HG2 VAL 6 11.884 9.179 7.841
58 HG23 VAL 6 2HG2 VAL 6 11.087 10.749 7.939
59 H ILE 7 H ILE 7 11.436 6.826 7.352
60 HA ILE 7 HA ILE 7 9.967 5.027 7.870
61 HB ILE 7 HB ILE 7 9.470 7.378 8.963
62 HG12 ILE 7 2HG1 ILE 7 9.027 5.034 9.846
63 HG13 ILE 7 1HG1 ILE 7 7.932 6.284 10.438
64 HG21 ILE 7 1HG2 ILE 7 6.852 6.791 7.563
65 HG22 ILE 7 2HG2 ILE 7 7.955 8.082 7.090
66 HG23 ILE 7 3HG2 ILE 7 7.181 8.119 8.674
67 HD11 ILE 7 3HD1 ILE 7 6.619 4.347 9.782
68 HD12 ILE 7 1HD1 ILE 7 7.387 4.325 8.194
69 HD13 ILE 7 2HD1 ILE 7 6.316 5.656 8.637
70 H ARG 8 H ARG 8 9.237 3.559 6.425
71 HA ARG 8 HA ARG 8 7.644 4.300 4.083
72 HB2 ARG 8 2HB ARG 8 7.653 1.763 3.825
73 HB3 ARG 8 1HB ARG 8 9.247 2.513 3.909
74 HG2 ARG 8 2HG ARG 8 9.698 1.650 5.997
75 HG3 ARG 8 1HG ARG 8 8.004 1.662 6.484
76 HD2 ARG 8 2HD ARG 8 9.309 -0.305 4.570
77 HD3 ARG 8 1HD ARG 8 8.679 -0.660 6.190
78 HE ARG 8 HE ARG 8 6.553 0.547 4.834
79 HH11 ARG 8 1HH2 ARG 8 8.366 -2.359 4.921
80 HH12 ARG 8 2HH2 ARG 8 7.286 -3.232 3.885
81 HH21 ARG 8 1HH1 ARG 8 5.242 -0.496 3.270
82 HH22 ARG 8 2HH1 ARG 8 5.516 -2.177 2.949
83 H CYS 9 H CYS 9 5.459 4.569 4.165
84 HA CYS 9 HA CYS 9 3.876 3.907 6.503
85 HB2 CYS 9 2HB CYS 9 3.275 5.797 5.179
86 HB3 CYS 9 1HB CYS 9 3.341 4.863 3.681
87 H TRP 10 H TRP 10 3.175 1.842 6.960
88 HA TRP 10 HA TRP 10 3.314 -0.325 5.071
89 HB2 TRP 10 2HB TRP 10 2.938 -1.533 6.975
90 HB3 TRP 10 1HB TRP 10 3.075 0.009 7.809
91 HD1 TRP 10 HD TRP 10 0.233 -1.892 5.956
92 HE1 TRP 10 1HE TRP 10 -1.923 -1.644 7.341
93 HE3 TRP 10 3HE TRP 10 1.992 0.955 9.792
94 HZ2 TRP 10 2HZ TRP 10 -2.787 -0.409 9.772
95 HZ3 TRP 10 3HZ TRP 10 0.488 1.651 11.640
96 HH2 TRP 10 HH TRP 10 -1.898 0.973 11.632
97 H ASN 11 H ASN 11 0.602 1.533 6.405
98 HA ASN 11 HA ASN 11 -1.610 0.355 5.284
99 HB2 ASN 11 2HB ASN 11 -1.023 2.644 6.610
100 HB3 ASN 11 1HB ASN 11 -1.469 3.299 5.032
101 HD21 ASN 11 1HD2 ASN 11 -3.539 1.950 4.111
102 HD22 ASN 11 2HD2 ASN 11 -4.818 1.835 5.221
103 H CYS 12 H CYS 12 0.709 2.417 3.518
104 HA CYS 12 HA CYS 12 -0.744 1.630 1.020
105 HB2 CYS 12 2HB CYS 12 -0.666 3.878 0.260
106 HB3 CYS 12 1HB CYS 12 -1.160 3.979 1.948
107 H GLY 13 H GLY 13 2.151 1.574 2.701
108 HA2 GLY 13 2HA GLY 13 4.319 0.946 2.068
109 HA3 GLY 13 1HA GLY 13 3.625 0.436 0.530
110 H LYS 14 H LYS 14 4.742 3.321 2.288
111 HA LYS 14 HA LYS 14 6.128 4.317 -0.064
112 HB2 LYS 14 2HB LYS 14 3.509 4.729 -0.235
113 HB3 LYS 14 1HB LYS 14 3.874 6.073 0.847
114 HG2 LYS 14 2HG LYS 14 5.536 5.647 -1.620
115 HG3 LYS 14 1HG LYS 14 3.977 6.464 -1.740
116 HD2 LYS 14 2HD LYS 14 4.656 8.205 -0.275
117 HD3 LYS 14 1HD LYS 14 6.056 7.292 0.287
118 HE2 LYS 14 2HE LYS 14 6.007 7.738 -2.635
119 HE3 LYS 14 1HE LYS 14 6.187 9.213 -1.662
120 HZ1 LYS 14 3HZ LYS 14 7.913 8.068 -0.369
121 HZ2 LYS 14 1HZ LYS 14 8.342 8.212 -2.004
122 HZ3 LYS 14 2HZ LYS 14 7.790 6.723 -1.401
123 H GLU 15 H GLU 15 7.853 5.414 0.780
124 HA GLU 15 HA GLU 15 7.943 6.121 3.608
125 HB2 GLU 15 2HB GLU 15 9.709 5.833 1.299
126 HB3 GLU 15 1HB GLU 15 10.142 7.227 2.289
127 HG2 GLU 15 2HG GLU 15 10.749 5.939 4.079
128 HG3 GLU 15 1HG GLU 15 9.487 4.745 3.776
129 H GLY 16 H GLY 16 8.271 8.289 4.424
130 HA2 GLY 16 2HA GLY 16 8.492 10.738 3.783
131 HA3 GLY 16 1HA GLY 16 7.222 10.421 2.599
132 H HIS 17 H HIS 17 6.131 8.513 4.817
133 HA HIS 17 HA HIS 17 5.147 10.381 6.855
134 HB2 HIS 17 2HB HIS 17 2.888 10.469 6.080
135 HB3 HIS 17 1HB HIS 17 3.874 10.783 4.653
136 HD1 HIS 17 1HD HIS 17 4.416 8.503 3.184
137 HD2 HIS 17 2HD HIS 17 1.126 8.377 5.739
138 HE1 HIS 17 1HE HIS 17 2.979 6.568 2.407
139 H SER 18 H SER 18 3.451 9.162 8.273
140 HA SER 18 HA SER 18 4.359 6.327 8.493
141 HB2 SER 18 2HB SER 18 2.896 6.935 10.742
142 HB3 SER 18 1HB SER 18 4.640 7.143 10.590
143 HG SER 18 HG SER 18 3.844 9.106 11.185
144 H ALA 19 H ALA 19 2.794 4.660 8.831
145 HA ALA 19 HA ALA 19 0.438 4.799 7.206
146 HB1 ALA 19 3HB ALA 19 0.015 2.576 8.276
147 HB2 ALA 19 1HB ALA 19 1.308 2.923 9.424
148 HB3 ALA 19 2HB ALA 19 1.677 2.746 7.708
149 H ARG 20 H ARG 20 0.960 5.132 10.704
150 HA ARG 20 HA ARG 20 -1.640 5.083 11.717
151 HB2 ARG 20 2HB ARG 20 -0.760 6.560 13.440
152 HB3 ARG 20 1HB ARG 20 0.545 5.490 12.929
153 HG2 ARG 20 2HG ARG 20 1.739 7.399 12.637
154 HG3 ARG 20 1HG ARG 20 0.798 7.584 11.159
155 HD2 ARG 20 2HD ARG 20 0.697 9.649 12.529
156 HD3 ARG 20 1HD ARG 20 -0.906 8.891 12.435
157 HE ARG 20 HE ARG 20 0.769 8.003 14.689
158 HH11 ARG 20 1HH2 ARG 20 -0.459 10.993 14.195
159 HH12 ARG 20 2HH2 ARG 20 -1.671 10.940 15.431
160 HH21 ARG 20 1HH1 ARG 20 -1.315 7.536 15.998
161 HH22 ARG 20 2HH1 ARG 20 -2.155 8.980 16.454
162 H GLN 21 H GLN 21 -0.150 7.412 9.598
163 HA GLN 21 HA GLN 21 -2.407 9.317 9.882
164 HB2 GLN 21 2HB GLN 21 -0.056 10.086 9.903
165 HB3 GLN 21 1HB GLN 21 0.181 9.384 8.302
166 HG2 GLN 21 2HG GLN 21 -0.928 11.068 7.257
167 HG3 GLN 21 1HG GLN 21 -2.148 11.177 8.525
168 HE21 GLN 21 1HE2 GLN 21 -1.016 13.547 7.463
169 HE22 GLN 21 2HE2 GLN 21 -0.035 14.275 8.654
170 H CYS 22 H CYS 22 -0.806 7.247 7.471
171 HA CYS 22 HA CYS 22 -2.844 7.879 5.418
172 HB2 CYS 22 2HB CYS 22 -0.135 7.035 5.540
173 HB3 CYS 22 1HB CYS 22 -1.035 5.730 4.773
174 H ARG 23 H ARG 23 -4.527 6.509 4.916
175 HA ARG 23 HA ARG 23 -4.608 3.854 6.266
176 HB2 ARG 23 2HB ARG 23 -6.713 5.981 5.833
177 HB3 ARG 23 1HB ARG 23 -7.123 4.327 6.294
178 HG2 ARG 23 2HG ARG 23 -5.200 6.083 7.847
179 HG3 ARG 23 1HG ARG 23 -6.908 5.899 8.250
180 HD2 ARG 23 2HD ARG 23 -6.638 3.721 8.997
181 HD3 ARG 23 1HD ARG 23 -5.273 3.406 7.911
182 HE ARG 23 HE ARG 23 -3.964 5.025 9.398
183 HH11 ARG 23 1HH1 ARG 23 -5.393 2.307 10.502
184 HH12 ARG 23 2HH1 ARG 23 -5.538 2.788 12.160
185 HH21 ARG 23 1HH2 ARG 23 -4.731 6.104 11.545
186 HH22 ARG 23 2HH2 ARG 23 -5.164 4.937 12.750
187 H ALA 24 H ALA 24 -4.454 5.487 3.335
188 HA ALA 24 HA ALA 24 -5.067 4.888 1.106
189 HB1 ALA 24 3HB ALA 24 -4.790 2.051 2.034
190 HB2 ALA 24 1HB ALA 24 -3.416 3.129 2.280
191 HB3 ALA 24 2HB ALA 24 -4.037 2.849 0.653
192 HA PRO 25 HA PRO 25 -9.152 3.200 0.886
193 HB2 PRO 25 2HB PRO 25 -9.253 0.723 -0.291
194 HB3 PRO 25 1HB PRO 25 -8.968 2.217 -1.203
195 HG2 PRO 25 2HG PRO 25 -7.030 0.157 -0.299
196 HG3 PRO 25 1HG PRO 25 -7.067 1.094 -1.800
197 HD2 PRO 25 2HD PRO 25 -5.420 1.644 0.299
198 HD3 PRO 25 1HD PRO 25 -5.958 2.867 -0.871
199 H ARG 26 H ARG 26 -8.645 -0.214 1.130
200 HA ARG 26 HA ARG 26 -9.581 -0.122 3.856
201 HB2 ARG 26 2HB ARG 26 -9.722 -1.863 1.560
202 HB3 ARG 26 1HB ARG 26 -9.305 -2.764 3.023
203 HG2 ARG 26 2HG ARG 26 -11.637 -0.879 2.661
204 HG3 ARG 26 1HG ARG 26 -11.716 -2.633 2.857
205 HD2 ARG 26 2HD ARG 26 -10.333 -2.106 5.082
206 HD3 ARG 26 1HD ARG 26 -11.125 -0.526 4.911
207 HE ARG 26 HE ARG 26 -13.088 -2.536 4.457
208 HH11 ARG 26 1HH2 ARG 26 -10.842 -2.157 6.976
209 HH12 ARG 26 2HH2 ARG 26 -12.023 -2.176 8.244
210 HH21 ARG 26 1HH1 ARG 26 -14.732 -2.195 6.078
211 HH22 ARG 26 2HH1 ARG 26 -14.226 -2.199 7.735
212 H ARG 27 H ARG 27 -6.773 0.648 3.457
213 HA ARG 27 HA ARG 27 -4.629 0.071 4.341
214 HB2 ARG 27 2HB ARG 27 -6.208 -1.748 6.146
215 HB3 ARG 27 1HB ARG 27 -4.791 -0.775 6.535
216 HG2 ARG 27 2HG ARG 27 -6.048 1.255 6.477
217 HG3 ARG 27 1HG ARG 27 -7.436 0.455 5.733
218 HD2 ARG 27 2HD ARG 27 -8.227 -0.202 7.742
219 HD3 ARG 27 1HD ARG 27 -6.647 -0.859 8.210
220 HE ARG 27 HE ARG 27 -6.301 1.895 8.309
221 HH11 ARG 27 1HH2 ARG 27 -6.490 -0.223 10.620
222 HH12 ARG 27 2HH2 ARG 27 -7.590 0.604 11.672
223 HH21 ARG 27 1HH1 ARG 27 -8.569 2.909 9.274
224 HH22 ARG 27 2HH1 ARG 27 -8.770 2.375 10.909
225 H GLN 28 H GLN 28 -3.321 -1.996 5.026
226 HA GLN 28 HA GLN 28 -3.634 -3.917 2.796
227 HB2 GLN 28 2HB GLN 28 -1.551 -3.041 4.727
228 HB3 GLN 28 1HB GLN 28 -1.437 -4.713 4.176
229 HG2 GLN 28 2HG GLN 28 -0.168 -3.425 2.612
230 HG3 GLN 28 1HG GLN 28 -1.689 -3.805 1.802
231 HE21 GLN 28 1HE2 GLN 28 -3.476 -2.028 2.239
232 HE22 GLN 28 2HE2 GLN 28 -2.952 -0.408 2.181
233 H GLY 29 H GLY 29 -5.248 -5.408 3.282
234 HA2 GLY 29 2HA GLY 29 -6.164 -6.403 5.671
235 HA3 GLY 29 1HA GLY 29 -6.008 -7.435 4.248
236 H CYS 30 H CYS 30 -3.616 -8.146 3.863
237 HA CYS 30 HA CYS 30 -2.712 -9.472 6.331
238 HB2 CYS 30 2HB CYS 30 -2.716 -9.943 3.550
239 HB3 CYS 30 1HB CYS 30 -1.019 -9.781 4.001
240 H TRP 31 H TRP 31 -0.949 -8.820 7.531
241 HA TRP 31 HA TRP 31 0.462 -6.340 6.710
242 HB2 TRP 31 2HB TRP 31 -0.351 -7.706 9.133
243 HB3 TRP 31 1HB TRP 31 1.364 -7.309 9.202
244 HD1 TRP 31 HD TRP 31 -1.674 -5.372 7.784
245 HE1 TRP 31 1HE TRP 31 -1.631 -2.983 8.761
246 HE3 TRP 31 3HE TRP 31 2.428 -5.760 10.753
247 HZ2 TRP 31 2HZ TRP 31 -0.025 -1.452 10.614
248 HZ3 TRP 31 3HZ TRP 31 3.202 -3.841 12.118
249 HH2 TRP 31 HH TRP 31 1.981 -1.686 12.044
250 H LYS 32 H LYS 32 1.590 -9.328 8.332
251 HA LYS 32 HA LYS 32 4.292 -9.141 7.532
252 HB2 LYS 32 2HB LYS 32 3.545 -10.640 9.269
253 HB3 LYS 32 1HB LYS 32 2.478 -11.490 8.150
254 HG2 LYS 32 2HG LYS 32 4.619 -12.016 6.804
255 HG3 LYS 32 1HG LYS 32 5.495 -11.531 8.257
256 HD2 LYS 32 2HD LYS 32 4.600 -13.285 9.537
257 HD3 LYS 32 1HD LYS 32 3.248 -13.526 8.430
258 HE2 LYS 32 2HE LYS 32 4.437 -15.098 7.319
259 HE3 LYS 32 1HE LYS 32 5.704 -13.903 6.974
260 HZ1 LYS 32 3HZ LYS 32 5.528 -14.900 9.709
261 HZ2 LYS 32 1HZ LYS 32 6.895 -14.489 8.794
262 HZ3 LYS 32 2HZ LYS 32 6.127 -15.984 8.545
263 H CYS 33 H CYS 33 1.494 -10.001 5.677
264 HA CYS 33 HA CYS 33 3.195 -11.158 3.502
265 HB2 CYS 33 2HB CYS 33 1.332 -12.527 4.336
266 HB3 CYS 33 1HB CYS 33 0.208 -11.199 4.047
267 H GLY 34 H GLY 34 0.579 -8.795 4.107
268 HA2 GLY 34 2HA GLY 34 0.234 -6.704 3.054
269 HA3 GLY 34 1HA GLY 34 1.661 -7.007 2.062
270 H LYS 35 H LYS 35 -1.774 -7.163 2.184
271 HA LYS 35 HA LYS 35 -1.823 -8.015 -0.663
272 HB2 LYS 35 2HB LYS 35 -2.722 -9.535 1.712
273 HB3 LYS 35 1HB LYS 35 -3.880 -9.486 0.382
274 HG2 LYS 35 2HG LYS 35 -0.964 -10.247 0.051
275 HG3 LYS 35 1HG LYS 35 -2.269 -11.417 0.253
276 HD2 LYS 35 2HD LYS 35 -2.533 -11.333 -1.987
277 HD3 LYS 35 1HD LYS 35 -3.200 -9.717 -1.749
278 HE2 LYS 35 2HE LYS 35 -0.378 -9.432 -1.636
279 HE3 LYS 35 1HE LYS 35 -0.737 -10.442 -3.051
280 HZ1 LYS 35 3HZ LYS 35 -2.042 -8.843 -3.990
281 HZ2 LYS 35 1HZ LYS 35 -0.948 -7.839 -3.172
282 HZ3 LYS 35 2HZ LYS 35 -2.478 -8.151 -2.501
283 H THR 36 H THR 36 -4.564 -8.033 1.540
284 HA THR 36 HA THR 36 -5.435 -5.325 1.149
285 HB THR 36 HB THR 36 -5.792 -5.648 -1.119
286 HG1 THR 36 1HG THR 36 -8.130 -7.001 -0.474
287 HG21 THR 36 3HG2 THR 36 -6.894 -8.108 -1.666
288 HG22 THR 36 1HG2 THR 36 -5.798 -8.489 -0.338
289 HG23 THR 36 2HG2 THR 36 -5.178 -7.723 -1.800
290 H GLY 37 H GLY 37 -7.247 -8.378 0.813
291 HA2 GLY 37 2HA GLY 37 -8.820 -7.599 3.215
292 HA3 GLY 37 1HA GLY 37 -9.325 -8.787 2.009
293 H HIS 38 H HIS 38 -7.574 -10.664 1.824
294 HA HIS 38 HA HIS 38 -7.655 -12.264 4.106
295 HB2 HIS 38 2HB HIS 38 -6.765 -13.606 2.515
296 HB3 HIS 38 1HB HIS 38 -6.422 -12.200 1.518
297 HD1 HIS 38 1HD HIS 38 -4.027 -12.133 0.875
298 HD2 HIS 38 2HD HIS 38 -4.522 -13.713 4.700
299 HE1 HIS 38 1HE HIS 38 -1.706 -12.668 1.733
300 H VAL 39 H VAL 39 -6.980 -11.591 6.121
301 HA VAL 39 HA VAL 39 -4.519 -9.944 6.382
302 HB VAL 39 HB VAL 39 -5.366 -9.672 8.694
303 HG11 VAL 39 1HG1 VAL 39 -6.421 -8.596 6.444
304 HG12 VAL 39 2HG1 VAL 39 -6.989 -8.186 8.062
305 HG13 VAL 39 3HG1 VAL 39 -7.856 -9.384 7.100
306 HG21 VAL 39 3HG2 VAL 39 -6.307 -12.057 8.735
307 HG22 VAL 39 1HG2 VAL 39 -7.693 -11.416 7.850
308 HG23 VAL 39 2HG2 VAL 39 -7.321 -10.813 9.465
309 H MET 40 H MET 40 -2.941 -10.587 8.117
310 HA MET 40 HA MET 40 -1.774 -13.094 7.810
311 HB2 MET 40 2HB MET 40 -0.526 -12.523 9.756
312 HB3 MET 40 1HB MET 40 -1.018 -10.970 9.079
313 HG2 MET 40 2HG MET 40 -3.140 -11.390 10.660
314 HG3 MET 40 1HG MET 40 -1.957 -12.342 11.559
315 HE1 MET 40 3HE MET 40 -0.323 -10.361 13.665
316 HE2 MET 40 1HE MET 40 0.798 -10.624 12.321
317 HE3 MET 40 2HE MET 40 -0.399 -11.851 12.727
318 H ALA 41 H ALA 41 -4.553 -12.220 9.751
319 HA ALA 41 HA ALA 41 -4.753 -14.456 11.503
320 HB1 ALA 41 3HB ALA 41 -6.916 -13.617 11.829
321 HB2 ALA 41 1HB ALA 41 -7.131 -13.252 10.117
322 HB3 ALA 41 2HB ALA 41 -6.124 -12.208 11.120
323 H LYS 42 H LYS 42 -6.228 -13.884 8.348
324 HA LYS 42 HA LYS 42 -7.013 -16.724 8.091
325 HB2 LYS 42 2HB LYS 42 -7.858 -14.071 7.328
326 HB3 LYS 42 1HB LYS 42 -7.800 -15.127 5.903
327 HG2 LYS 42 2HG LYS 42 -8.949 -16.495 8.200
328 HG3 LYS 42 1HG LYS 42 -9.837 -15.017 7.829
329 HD2 LYS 42 2HD LYS 42 -9.066 -16.842 5.580
330 HD3 LYS 42 1HD LYS 42 -10.443 -17.276 6.593
331 HE2 LYS 42 2HE LYS 42 -10.204 -14.500 5.419
332 HE3 LYS 42 1HE LYS 42 -10.941 -15.829 4.502
333 HZ1 LYS 42 3HZ LYS 42 -12.764 -15.222 5.672
334 HZ2 LYS 42 1HZ LYS 42 -11.872 -14.516 6.929
335 HZ3 LYS 42 2HZ LYS 42 -12.067 -16.204 6.871
336 H CYS 43 H CYS 43 -4.202 -15.240 7.559
337 HA CYS 43 HA CYS 43 -3.594 -15.615 4.786
338 HB2 CYS 43 2HB CYS 43 -2.345 -14.836 7.231
339 HB3 CYS 43 1HB CYS 43 -1.322 -16.061 6.478
340 HA PRO 44 HA PRO 44 -2.727 -19.928 4.560
341 HB2 PRO 44 2HB PRO 44 -0.306 -20.078 3.298
342 HB3 PRO 44 1HB PRO 44 -1.788 -19.549 2.480
343 HG2 PRO 44 2HG PRO 44 0.504 -17.957 3.440
344 HG3 PRO 44 1HG PRO 44 -0.598 -17.658 2.091
345 HD2 PRO 44 2HD PRO 44 -0.682 -16.423 4.602
346 HD3 PRO 44 1HD PRO 44 -1.962 -16.391 3.371
347 H GLU 45 H GLU 45 -1.161 -18.129 6.765
348 HA GLU 45 HA GLU 45 0.801 -20.221 7.589
349 HB2 GLU 45 2HB GLU 45 0.330 -17.412 8.637
350 HB3 GLU 45 1HB GLU 45 1.746 -18.421 8.923
351 HG2 GLU 45 2HG GLU 45 0.955 -17.785 6.099
352 HG3 GLU 45 1HG GLU 45 1.815 -16.572 7.046
353 H ARG 46 H ARG 46 0.291 -18.675 10.347
354 HA ARG 46 HA ARG 46 -2.206 -19.275 11.367
355 HB2 ARG 46 2HB ARG 46 -0.681 -21.601 10.629
356 HB3 ARG 46 1HB ARG 46 -0.931 -21.603 12.375
357 HG2 ARG 46 2HG ARG 46 -3.389 -21.087 11.874
358 HG3 ARG 46 1HG ARG 46 -3.027 -21.505 10.200
359 HD2 ARG 46 2HD ARG 46 -2.870 -23.737 10.660
360 HD3 ARG 46 1HD ARG 46 -2.061 -23.454 12.215
361 HE ARG 46 HE ARG 46 -4.988 -23.465 11.771
362 HH11 ARG 46 1HH1 ARG 46 -2.946 -21.578 13.609
363 HH12 ARG 46 2HH1 ARG 46 -3.575 -22.065 15.147
364 HH21 ARG 46 1HH2 ARG 46 -5.525 -24.615 13.845
365 HH22 ARG 46 2HH2 ARG 46 -5.032 -23.781 15.281
366 H GLN 47 H GLN 47 -1.482 -17.453 12.632
367 HA GLN 47 HA GLN 47 0.842 -17.709 14.397
368 HB2 GLN 47 2HB GLN 47 0.122 -15.590 13.352
369 HB3 GLN 47 1HB GLN 47 -1.415 -15.689 14.210
370 HG2 GLN 47 2HG GLN 47 0.203 -15.926 16.320
371 HG3 GLN 47 1HG GLN 47 1.303 -15.043 15.261
372 HE21 GLN 47 1HE2 GLN 47 1.163 -12.844 15.705
373 HE22 GLN 47 2HE2 GLN 47 -0.272 -12.004 16.043
374 H ALA 48 H ALA 48 0.096 -19.679 15.575
375 HA ALA 48 HA ALA 48 -2.263 -19.352 17.338
376 HB1 ALA 48 3HB ALA 48 -0.262 -21.619 17.066
377 HB2 ALA 48 1HB ALA 48 -1.701 -21.452 16.060
378 HB3 ALA 48 2HB ALA 48 -1.865 -21.710 17.797
379 H GLY 49 H GLY 49 0.433 -17.840 17.594
380 HA2 GLY 49 2HA GLY 49 1.343 -16.884 19.593
381 HA3 GLY 49 1HA GLY 49 0.656 -18.221 20.517
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 24.860 0.187 -0.105
2 H2 ALA 1 2HT ALA 1 25.015 -1.440 -0.567
3 H3 ALA 1 3HT ALA 1 24.682 -1.042 1.051
4 HA ALA 1 HA ALA 1 22.826 -0.314 -1.144
5 HB1 ALA 1 3HB ALA 1 23.656 -2.874 -0.527
6 HB2 ALA 1 1HB ALA 1 22.097 -2.469 -1.244
7 HB3 ALA 1 2HB ALA 1 22.237 -2.683 0.501
8 H GLN 2 H GLN 2 21.632 1.279 -0.172
9 HA GLN 2 HA GLN 2 20.996 1.001 2.745
10 HB2 GLN 2 2HB GLN 2 21.178 3.419 0.917
11 HB3 GLN 2 1HB GLN 2 20.771 3.482 2.633
12 HG2 GLN 2 2HG GLN 2 22.926 3.132 3.288
13 HG3 GLN 2 1HG GLN 2 23.239 1.987 1.983
14 HE21 GLN 2 1HE2 GLN 2 24.957 2.835 0.783
15 HE22 GLN 2 2HE2 GLN 2 25.068 4.446 0.259
16 H GLN 3 H GLN 3 19.495 3.025 0.258
17 HA GLN 3 HA GLN 3 17.068 1.378 0.128
18 HB2 GLN 3 2HB GLN 3 17.138 2.724 2.347
19 HB3 GLN 3 1HB GLN 3 16.848 4.139 1.333
20 HG2 GLN 3 2HG GLN 3 14.733 3.403 0.672
21 HG3 GLN 3 1HG GLN 3 15.104 1.714 1.020
22 HE21 GLN 3 1HE2 GLN 3 15.808 1.520 3.573
23 HE22 GLN 3 2HE2 GLN 3 14.694 2.244 4.630
24 H ARG 4 H ARG 4 15.333 2.704 -1.146
25 HA ARG 4 HA ARG 4 16.736 4.416 -3.174
26 HB2 ARG 4 2HB ARG 4 15.905 1.976 -3.672
27 HB3 ARG 4 1HB ARG 4 14.309 2.725 -3.732
28 HG2 ARG 4 2HG ARG 4 14.933 2.964 -5.946
29 HG3 ARG 4 1HG ARG 4 15.574 4.472 -5.290
30 HD2 ARG 4 2HD ARG 4 17.760 3.790 -5.505
31 HD3 ARG 4 1HD ARG 4 17.370 2.097 -5.139
32 HE ARG 4 HE ARG 4 16.181 2.979 -7.642
33 HH11 ARG 4 1HH1 ARG 4 19.268 3.490 -7.532
34 HH12 ARG 4 2HH1 ARG 4 19.827 2.063 -8.340
35 HH21 ARG 4 1HH2 ARG 4 16.795 0.403 -8.075
36 HH22 ARG 4 2HH2 ARG 4 18.427 0.315 -8.645
37 H LYS 5 H LYS 5 15.853 6.438 -3.404
38 HA LYS 5 HA LYS 5 14.313 8.222 -3.228
39 HB2 LYS 5 2HB LYS 5 12.275 5.986 -3.092
40 HB3 LYS 5 1HB LYS 5 12.046 7.610 -3.739
41 HG2 LYS 5 2HG LYS 5 13.907 7.031 -5.412
42 HG3 LYS 5 1HG LYS 5 13.690 5.357 -4.899
43 HD2 LYS 5 2HD LYS 5 11.131 5.907 -5.349
44 HD3 LYS 5 1HD LYS 5 11.819 7.132 -6.417
45 HE2 LYS 5 2HE LYS 5 13.267 5.258 -7.407
46 HE3 LYS 5 1HE LYS 5 12.202 4.129 -6.546
47 HZ1 LYS 5 3HZ LYS 5 11.344 6.236 -8.459
48 HZ2 LYS 5 1HZ LYS 5 10.293 5.245 -7.573
49 HZ3 LYS 5 2HZ LYS 5 11.320 4.561 -8.740
50 H VAL 6 H VAL 6 12.718 9.190 -1.669
51 HA VAL 6 HA VAL 6 13.454 8.729 1.062
52 HB VAL 6 HB VAL 6 11.456 10.279 1.422
53 HG11 VAL 6 1HG1 VAL 6 13.116 11.384 -0.810
54 HG12 VAL 6 2HG1 VAL 6 13.944 10.852 0.655
55 HG13 VAL 6 3HG1 VAL 6 12.707 12.106 0.746
56 HG21 VAL 6 3HG2 VAL 6 10.497 9.238 -0.864
57 HG22 VAL 6 1HG2 VAL 6 11.344 10.631 -1.538
58 HG23 VAL 6 2HG2 VAL 6 10.080 10.866 -0.331
59 H ILE 7 H ILE 7 12.121 7.882 2.786
60 HA ILE 7 HA ILE 7 11.049 5.420 2.649
61 HB ILE 7 HB ILE 7 10.873 7.749 4.358
62 HG12 ILE 7 2HG1 ILE 7 12.082 5.488 4.637
63 HG13 ILE 7 1HG1 ILE 7 11.290 6.161 6.062
64 HG21 ILE 7 1HG2 ILE 7 8.528 7.798 4.265
65 HG22 ILE 7 2HG2 ILE 7 8.844 6.761 5.657
66 HG23 ILE 7 3HG2 ILE 7 8.402 6.046 4.106
67 HD11 ILE 7 3HD1 ILE 7 9.323 4.736 5.655
68 HD12 ILE 7 1HD1 ILE 7 10.779 3.753 5.805
69 HD13 ILE 7 2HD1 ILE 7 10.092 4.074 4.212
70 H ARG 8 H ARG 8 9.560 4.565 1.252
71 HA ARG 8 HA ARG 8 7.435 6.233 0.060
72 HB2 ARG 8 2HB ARG 8 8.735 4.601 -1.251
73 HB3 ARG 8 1HB ARG 8 8.194 3.302 -0.187
74 HG2 ARG 8 2HG ARG 8 5.994 3.389 -0.976
75 HG3 ARG 8 1HG ARG 8 6.168 5.044 -1.565
76 HD2 ARG 8 2HD ARG 8 7.703 4.246 -3.346
77 HD3 ARG 8 1HD ARG 8 7.480 2.580 -2.772
78 HE ARG 8 HE ARG 8 4.912 3.270 -3.103
79 HH11 ARG 8 1HH2 ARG 8 7.163 2.328 -5.256
80 HH12 ARG 8 2HH2 ARG 8 6.503 3.131 -6.641
81 HH21 ARG 8 1HH1 ARG 8 4.259 5.030 -4.803
82 HH22 ARG 8 2HH1 ARG 8 4.860 4.661 -6.385
83 H CYS 9 H CYS 9 5.199 5.930 0.472
84 HA CYS 9 HA CYS 9 4.512 4.802 3.082
85 HB2 CYS 9 2HB CYS 9 3.432 6.813 2.432
86 HB3 CYS 9 1HB CYS 9 3.041 6.187 0.832
87 H TRP 10 H TRP 10 3.313 2.938 3.461
88 HA TRP 10 HA TRP 10 3.299 0.868 1.351
89 HB2 TRP 10 2HB TRP 10 3.636 1.094 4.112
90 HB3 TRP 10 1HB TRP 10 2.125 0.226 3.918
91 HD1 TRP 10 HD TRP 10 4.678 -0.376 1.213
92 HE1 TRP 10 1HE TRP 10 5.675 -2.736 1.548
93 HE3 TRP 10 3HE TRP 10 2.739 -1.530 5.777
94 HZ2 TRP 10 2HZ TRP 10 5.678 -4.814 3.523
95 HZ3 TRP 10 3HZ TRP 10 3.254 -3.668 6.872
96 HH2 TRP 10 HH TRP 10 4.712 -5.300 5.757
97 H ASN 11 H ASN 11 0.887 1.458 3.890
98 HA ASN 11 HA ASN 11 -1.306 0.357 2.556
99 HB2 ASN 11 2HB ASN 11 -0.695 1.718 4.950
100 HB3 ASN 11 1HB ASN 11 -2.085 2.551 4.254
101 HD21 ASN 11 1HD2 ASN 11 -4.104 1.443 4.232
102 HD22 ASN 11 2HD2 ASN 11 -4.320 -0.106 4.891
103 H CYS 12 H CYS 12 0.251 3.332 1.810
104 HA CYS 12 HA CYS 12 -2.108 4.056 0.117
105 HB2 CYS 12 2HB CYS 12 -2.070 6.247 0.898
106 HB3 CYS 12 1HB CYS 12 -1.653 5.328 2.339
107 H GLY 13 H GLY 13 1.033 3.101 0.043
108 HA2 GLY 13 2HA GLY 13 2.827 3.434 -1.462
109 HA3 GLY 13 1HA GLY 13 1.525 3.459 -2.649
110 H LYS 14 H LYS 14 3.643 5.450 -0.693
111 HA LYS 14 HA LYS 14 3.734 7.589 -2.585
112 HB2 LYS 14 2HB LYS 14 1.310 7.456 -1.283
113 HB3 LYS 14 1HB LYS 14 2.189 8.629 -0.302
114 HG2 LYS 14 2HG LYS 14 1.754 8.756 -3.302
115 HG3 LYS 14 1HG LYS 14 1.017 9.805 -2.091
116 HD2 LYS 14 2HD LYS 14 3.951 9.701 -1.924
117 HD3 LYS 14 1HD LYS 14 3.353 10.360 -3.444
118 HE2 LYS 14 2HE LYS 14 2.546 12.250 -2.441
119 HE3 LYS 14 1HE LYS 14 1.957 11.355 -1.026
120 HZ1 LYS 14 3HZ LYS 14 3.772 12.417 -0.136
121 HZ2 LYS 14 1HZ LYS 14 4.656 12.377 -1.582
122 HZ3 LYS 14 2HZ LYS 14 4.492 10.967 -0.649
123 H GLU 15 H GLU 15 5.709 8.436 -2.114
124 HA GLU 15 HA GLU 15 7.264 8.046 0.175
125 HB2 GLU 15 2HB GLU 15 7.082 10.229 -1.901
126 HB3 GLU 15 1HB GLU 15 8.328 10.267 -0.652
127 HG2 GLU 15 2HG GLU 15 9.122 8.051 -1.347
128 HG3 GLU 15 1HG GLU 15 7.850 7.962 -2.565
129 H GLY 16 H GLY 16 7.937 9.806 1.773
130 HA2 GLY 16 2HA GLY 16 7.245 11.914 2.909
131 HA3 GLY 16 1HA GLY 16 5.573 11.438 2.606
132 H HIS 17 H HIS 17 5.987 8.631 3.312
133 HA HIS 17 HA HIS 17 6.960 8.595 6.082
134 HB2 HIS 17 2HB HIS 17 4.625 8.034 6.923
135 HB3 HIS 17 1HB HIS 17 4.850 9.706 6.412
136 HD1 HIS 17 1HD HIS 17 4.182 10.085 3.727
137 HD2 HIS 17 2HD HIS 17 2.447 6.859 5.718
138 HE1 HIS 17 1HE HIS 17 2.159 9.409 2.364
139 H SER 18 H SER 18 6.118 6.344 7.081
140 HA SER 18 HA SER 18 6.675 4.292 4.986
141 HB2 SER 18 2HB SER 18 7.691 3.130 6.703
142 HB3 SER 18 1HB SER 18 7.803 4.749 7.390
143 HG SER 18 HG SER 18 6.794 3.709 8.963
144 H ALA 19 H ALA 19 5.543 2.143 6.603
145 HA ALA 19 HA ALA 19 2.736 2.414 5.757
146 HB1 ALA 19 3HB ALA 19 4.551 0.365 5.824
147 HB2 ALA 19 1HB ALA 19 2.808 0.145 5.722
148 HB3 ALA 19 2HB ALA 19 3.615 0.034 7.283
149 H ARG 20 H ARG 20 4.566 2.857 8.639
150 HA ARG 20 HA ARG 20 2.593 2.188 10.617
151 HB2 ARG 20 2HB ARG 20 4.974 2.550 11.089
152 HB3 ARG 20 1HB ARG 20 4.846 4.226 10.554
153 HG2 ARG 20 2HG ARG 20 3.150 4.612 12.362
154 HG3 ARG 20 1HG ARG 20 3.465 2.977 12.946
155 HD2 ARG 20 2HD ARG 20 4.912 4.302 14.271
156 HD3 ARG 20 1HD ARG 20 5.978 3.747 12.965
157 HE ARG 20 HE ARG 20 4.636 6.151 12.152
158 HH11 ARG 20 1HH1 ARG 20 7.644 4.972 12.723
159 HH12 ARG 20 2HH1 ARG 20 8.320 6.420 13.391
160 HH21 ARG 20 1HH2 ARG 20 5.261 8.032 13.675
161 HH22 ARG 20 2HH2 ARG 20 6.969 8.153 13.928
162 H GLN 21 H GLN 21 2.694 4.637 8.250
163 HA GLN 21 HA GLN 21 0.713 6.308 9.757
164 HB2 GLN 21 2HB GLN 21 2.782 6.891 7.627
165 HB3 GLN 21 1HB GLN 21 1.513 8.046 8.038
166 HG2 GLN 21 2HG GLN 21 2.260 7.949 10.422
167 HG3 GLN 21 1HG GLN 21 3.595 6.907 9.924
168 HE21 GLN 21 1HE2 GLN 21 2.171 9.931 8.545
169 HE22 GLN 21 2HE2 GLN 21 3.663 10.751 8.436
170 H CYS 22 H CYS 22 1.250 4.277 7.023
171 HA CYS 22 HA CYS 22 -1.011 5.348 5.451
172 HB2 CYS 22 2HB CYS 22 0.753 2.897 5.112
173 HB3 CYS 22 1HB CYS 22 -0.311 3.585 3.882
174 H ARG 23 H ARG 23 -2.992 4.516 5.401
175 HA ARG 23 HA ARG 23 -3.628 1.850 6.441
176 HB2 ARG 23 2HB ARG 23 -3.520 2.867 8.538
177 HB3 ARG 23 1HB ARG 23 -4.016 4.437 7.913
178 HG2 ARG 23 2HG ARG 23 -5.765 3.361 9.305
179 HG3 ARG 23 1HG ARG 23 -6.302 3.653 7.654
180 HD2 ARG 23 2HD ARG 23 -6.837 1.442 7.549
181 HD3 ARG 23 1HD ARG 23 -5.096 1.098 7.604
182 HE ARG 23 HE ARG 23 -5.468 0.348 9.805
183 HH11 ARG 23 1HH1 ARG 23 -8.502 0.810 9.239
184 HH12 ARG 23 2HH1 ARG 23 -8.928 1.727 10.645
185 HH21 ARG 23 1HH2 ARG 23 -5.644 2.424 11.510
186 HH22 ARG 23 2HH2 ARG 23 -7.309 2.640 11.932
187 H ALA 24 H ALA 24 -4.033 3.959 4.106
188 HA ALA 24 HA ALA 24 -6.622 4.777 3.680
189 HB1 ALA 24 3HB ALA 24 -4.800 3.222 1.808
190 HB2 ALA 24 1HB ALA 24 -4.754 4.963 2.086
191 HB3 ALA 24 2HB ALA 24 -6.147 4.233 1.287
192 HA PRO 25 HA PRO 25 -9.264 1.288 3.917
193 HB2 PRO 25 2HB PRO 25 -11.104 1.846 1.960
194 HB3 PRO 25 1HB PRO 25 -11.057 2.694 3.521
195 HG2 PRO 25 2HG PRO 25 -9.990 3.551 0.871
196 HG3 PRO 25 1HG PRO 25 -10.841 4.496 2.103
197 HD2 PRO 25 2HD PRO 25 -8.156 4.604 1.789
198 HD3 PRO 25 1HD PRO 25 -8.943 4.807 3.371
199 H ARG 26 H ARG 26 -8.312 2.198 0.621
200 HA ARG 26 HA ARG 26 -8.796 0.052 -0.931
201 HB2 ARG 26 2HB ARG 26 -7.121 2.242 -0.871
202 HB3 ARG 26 1HB ARG 26 -5.988 0.895 -0.988
203 HG2 ARG 26 2HG ARG 26 -8.225 0.454 -2.743
204 HG3 ARG 26 1HG ARG 26 -7.501 2.032 -3.066
205 HD2 ARG 26 2HD ARG 26 -5.342 1.081 -3.462
206 HD3 ARG 26 1HD ARG 26 -5.829 -0.480 -2.770
207 HE ARG 26 HE ARG 26 -7.279 -0.830 -4.719
208 HH11 ARG 26 1HH1 ARG 26 -6.929 2.382 -5.008
209 HH12 ARG 26 2HH1 ARG 26 -6.292 2.401 -6.618
210 HH21 ARG 26 1HH2 ARG 26 -5.714 -1.015 -6.716
211 HH22 ARG 26 2HH2 ARG 26 -5.605 0.479 -7.586
212 H ARG 27 H ARG 27 -5.767 0.275 0.914
213 HA ARG 27 HA ARG 27 -4.997 -2.405 0.576
214 HB2 ARG 27 2HB ARG 27 -4.261 -0.445 2.752
215 HB3 ARG 27 1HB ARG 27 -3.297 -1.823 2.221
216 HG2 ARG 27 2HG ARG 27 -4.076 0.527 0.466
217 HG3 ARG 27 1HG ARG 27 -2.507 0.308 1.223
218 HD2 ARG 27 2HD ARG 27 -3.434 -2.032 -0.328
219 HD3 ARG 27 1HD ARG 27 -3.091 -0.582 -1.291
220 HE ARG 27 HE ARG 27 -1.121 -1.616 0.713
221 HH11 ARG 27 1HH1 ARG 27 -0.747 0.966 -0.883
222 HH12 ARG 27 2HH1 ARG 27 0.311 0.424 -2.142
223 HH21 ARG 27 1HH2 ARG 27 -0.294 -2.941 -1.570
224 HH22 ARG 27 2HH2 ARG 27 0.568 -1.786 -2.530
225 H GLN 28 H GLN 28 -4.401 -3.605 2.791
226 HA GLN 28 HA GLN 28 -6.823 -3.711 4.546
227 HB2 GLN 28 2HB GLN 28 -5.586 -5.846 2.818
228 HB3 GLN 28 1HB GLN 28 -6.456 -6.298 4.285
229 HG2 GLN 28 2HG GLN 28 -8.458 -5.895 3.325
230 HG3 GLN 28 1HG GLN 28 -7.927 -4.321 2.730
231 HE21 GLN 28 1HE2 GLN 28 -6.022 -4.780 0.891
232 HE22 GLN 28 2HE2 GLN 28 -6.547 -5.846 -0.333
233 H GLY 29 H GLY 29 -5.340 -2.692 6.116
234 HA2 GLY 29 2HA GLY 29 -3.727 -2.723 7.824
235 HA3 GLY 29 1HA GLY 29 -4.222 -4.405 8.007
236 H CYS 30 H CYS 30 -2.719 -5.942 7.570
237 HA CYS 30 HA CYS 30 -0.003 -5.486 7.192
238 HB2 CYS 30 2HB CYS 30 -1.670 -7.627 7.472
239 HB3 CYS 30 1HB CYS 30 -1.108 -7.856 5.817
240 H TRP 31 H TRP 31 1.210 -6.414 5.146
241 HA TRP 31 HA TRP 31 0.077 -5.068 2.715
242 HB2 TRP 31 2HB TRP 31 2.419 -4.601 4.214
243 HB3 TRP 31 1HB TRP 31 2.937 -5.342 2.695
244 HD1 TRP 31 HD TRP 31 0.252 -2.738 3.665
245 HE1 TRP 31 1HE TRP 31 0.351 -0.815 1.953
246 HE3 TRP 31 3HE TRP 31 4.016 -4.416 0.718
247 HZ2 TRP 31 2HZ TRP 31 1.868 -0.087 -0.379
248 HZ3 TRP 31 3HZ TRP 31 4.781 -3.115 -1.253
249 HH2 TRP 31 HH TRP 31 3.707 -0.948 -1.803
250 H LYS 32 H LYS 32 2.246 -7.691 3.814
251 HA LYS 32 HA LYS 32 1.955 -9.001 1.158
252 HB2 LYS 32 2HB LYS 32 3.800 -10.407 2.027
253 HB3 LYS 32 1HB LYS 32 4.184 -8.692 2.184
254 HG2 LYS 32 2HG LYS 32 2.796 -9.385 4.540
255 HG3 LYS 32 1HG LYS 32 3.949 -10.690 4.258
256 HD2 LYS 32 2HD LYS 32 5.547 -8.588 3.721
257 HD3 LYS 32 1HD LYS 32 4.448 -7.821 4.869
258 HE2 LYS 32 2HE LYS 32 5.601 -8.799 6.553
259 HE3 LYS 32 1HE LYS 32 5.097 -10.385 5.932
260 HZ1 LYS 32 3HZ LYS 32 7.254 -8.905 4.585
261 HZ2 LYS 32 1HZ LYS 32 6.967 -10.577 4.626
262 HZ3 LYS 32 2HZ LYS 32 7.608 -9.793 5.990
263 H CYS 33 H CYS 33 0.051 -8.890 3.749
264 HA CYS 33 HA CYS 33 -0.500 -11.843 3.769
265 HB2 CYS 33 2HB CYS 33 -1.036 -9.765 5.914
266 HB3 CYS 33 1HB CYS 33 -1.212 -11.512 6.076
267 H GLY 34 H GLY 34 -2.006 -8.606 4.055
268 HA2 GLY 34 2HA GLY 34 -4.033 -7.887 3.039
269 HA3 GLY 34 1HA GLY 34 -4.296 -9.534 2.462
270 H LYS 35 H LYS 35 -4.552 -7.438 5.307
271 HA LYS 35 HA LYS 35 -6.704 -9.251 6.317
272 HB2 LYS 35 2HB LYS 35 -4.193 -8.283 7.677
273 HB3 LYS 35 1HB LYS 35 -5.616 -8.704 8.631
274 HG2 LYS 35 2HG LYS 35 -5.259 -10.778 6.723
275 HG3 LYS 35 1HG LYS 35 -3.679 -10.463 7.445
276 HD2 LYS 35 2HD LYS 35 -4.314 -11.560 9.301
277 HD3 LYS 35 1HD LYS 35 -5.612 -10.389 9.541
278 HE2 LYS 35 2HE LYS 35 -5.975 -12.614 7.540
279 HE3 LYS 35 1HE LYS 35 -6.252 -12.918 9.266
280 HZ1 LYS 35 3HZ LYS 35 -8.049 -11.600 9.299
281 HZ2 LYS 35 1HZ LYS 35 -8.063 -11.795 7.614
282 HZ3 LYS 35 2HZ LYS 35 -7.339 -10.420 8.302
283 H THR 36 H THR 36 -5.447 -6.659 8.272
284 HA THR 36 HA THR 36 -6.869 -4.418 7.325
285 HB THR 36 HB THR 36 -8.950 -5.441 7.436
286 HG1 THR 36 1HG THR 36 -9.275 -3.775 8.769
287 HG21 THR 36 3HG2 THR 36 -8.857 -7.573 8.194
288 HG22 THR 36 1HG2 THR 36 -9.269 -6.883 9.765
289 HG23 THR 36 2HG2 THR 36 -7.583 -7.201 9.353
290 H GLY 37 H GLY 37 -7.227 -5.836 10.572
291 HA2 GLY 37 2HA GLY 37 -6.102 -3.443 11.795
292 HA3 GLY 37 1HA GLY 37 -6.620 -4.895 12.653
293 H HIS 38 H HIS 38 -5.110 -6.890 11.930
294 HA HIS 38 HA HIS 38 -2.597 -6.587 13.106
295 HB2 HIS 38 2HB HIS 38 -2.987 -8.804 12.767
296 HB3 HIS 38 1HB HIS 38 -4.034 -8.483 11.390
297 HD1 HIS 38 1HD HIS 38 -3.146 -9.637 9.380
298 HD2 HIS 38 2HD HIS 38 -0.059 -8.157 11.758
299 HE1 HIS 38 1HE HIS 38 -0.989 -10.189 8.177
300 H VAL 39 H VAL 39 -0.446 -6.340 12.181
301 HA VAL 39 HA VAL 39 -0.302 -5.280 9.401
302 HB VAL 39 HB VAL 39 -0.684 -3.322 10.684
303 HG11 VAL 39 1HG1 VAL 39 -0.309 -4.464 12.894
304 HG12 VAL 39 2HG1 VAL 39 0.386 -2.845 12.805
305 HG13 VAL 39 3HG1 VAL 39 1.425 -4.260 12.642
306 HG21 VAL 39 3HG2 VAL 39 1.283 -3.205 9.154
307 HG22 VAL 39 1HG2 VAL 39 2.323 -3.590 10.521
308 HG23 VAL 39 2HG2 VAL 39 1.400 -2.090 10.514
309 H MET 40 H MET 40 2.107 -4.860 8.874
310 HA MET 40 HA MET 40 3.660 -7.150 8.957
311 HB2 MET 40 2HB MET 40 4.140 -5.095 7.668
312 HB3 MET 40 1HB MET 40 4.600 -4.267 9.156
313 HG2 MET 40 2HG MET 40 5.944 -6.856 8.460
314 HG3 MET 40 1HG MET 40 6.448 -5.384 7.632
315 HE1 MET 40 3HE MET 40 9.352 -5.206 9.940
316 HE2 MET 40 1HE MET 40 8.660 -4.749 8.377
317 HE3 MET 40 2HE MET 40 8.735 -6.445 8.848
318 H ALA 41 H ALA 41 3.193 -4.819 11.528
319 HA ALA 41 HA ALA 41 5.351 -5.387 13.267
320 HB1 ALA 41 3HB ALA 41 2.530 -5.019 14.238
321 HB2 ALA 41 1HB ALA 41 3.278 -3.730 13.295
322 HB3 ALA 41 2HB ALA 41 4.007 -4.247 14.815
323 H LYS 42 H LYS 42 2.189 -6.924 12.923
324 HA LYS 42 HA LYS 42 3.131 -9.213 14.609
325 HB2 LYS 42 2HB LYS 42 0.805 -7.441 14.510
326 HB3 LYS 42 1HB LYS 42 0.348 -9.155 14.560
327 HG2 LYS 42 2HG LYS 42 2.534 -8.522 16.395
328 HG3 LYS 42 1HG LYS 42 1.080 -7.586 16.741
329 HD2 LYS 42 2HD LYS 42 0.065 -10.109 16.245
330 HD3 LYS 42 1HD LYS 42 1.574 -10.458 17.090
331 HE2 LYS 42 2HE LYS 42 -0.068 -10.193 18.817
332 HE3 LYS 42 1HE LYS 42 0.822 -8.656 18.795
333 HZ1 LYS 42 3HZ LYS 42 -0.835 -7.626 17.541
334 HZ2 LYS 42 1HZ LYS 42 -1.711 -8.531 18.676
335 HZ3 LYS 42 2HZ LYS 42 -1.549 -9.099 17.083
336 H CYS 43 H CYS 43 3.486 -8.901 11.695
337 HA CYS 43 HA CYS 43 1.486 -10.672 10.453
338 HB2 CYS 43 2HB CYS 43 2.373 -8.627 9.376
339 HB3 CYS 43 1HB CYS 43 3.986 -9.341 9.384
340 HA PRO 44 HA PRO 44 5.525 -13.306 10.281
341 HB2 PRO 44 2HB PRO 44 6.853 -13.496 12.667
342 HB3 PRO 44 1HB PRO 44 7.285 -12.327 11.403
343 HG2 PRO 44 2HG PRO 44 5.749 -11.922 13.910
344 HG3 PRO 44 1HG PRO 44 6.906 -10.850 13.107
345 HD2 PRO 44 2HD PRO 44 4.199 -10.549 12.983
346 HD3 PRO 44 1HD PRO 44 5.315 -9.951 11.738
347 H GLU 45 H GLU 45 3.625 -14.701 10.264
348 HA GLU 45 HA GLU 45 2.915 -15.981 12.866
349 HB2 GLU 45 2HB GLU 45 1.636 -16.278 10.133
350 HB3 GLU 45 1HB GLU 45 0.918 -16.662 11.697
351 HG2 GLU 45 2HG GLU 45 1.154 -14.218 12.303
352 HG3 GLU 45 1HG GLU 45 1.619 -13.916 10.629
353 H ARG 46 H ARG 46 5.460 -16.533 11.452
354 HA ARG 46 HA ARG 46 6.772 -18.428 10.937
355 HB2 ARG 46 2HB ARG 46 4.420 -19.325 12.466
356 HB3 ARG 46 1HB ARG 46 5.161 -20.594 11.492
357 HG2 ARG 46 2HG ARG 46 6.224 -20.567 13.680
358 HG3 ARG 46 1HG ARG 46 7.379 -19.988 12.479
359 HD2 ARG 46 2HD ARG 46 5.884 -17.728 13.399
360 HD3 ARG 46 1HD ARG 46 6.471 -18.620 14.817
361 HE ARG 46 HE ARG 46 8.618 -18.593 13.021
362 HH11 ARG 46 1HH2 ARG 46 8.211 -17.190 15.803
363 HH12 ARG 46 2HH2 ARG 46 8.737 -15.591 15.396
364 HH21 ARG 46 1HH1 ARG 46 8.618 -16.138 11.973
365 HH22 ARG 46 2HH1 ARG 46 8.968 -14.996 13.227
366 H GLN 47 H GLN 47 7.167 -19.242 8.913
367 HA GLN 47 HA GLN 47 4.848 -19.568 7.055
368 HB2 GLN 47 2HB GLN 47 7.829 -19.173 6.643
369 HB3 GLN 47 1HB GLN 47 6.660 -19.348 5.333
370 HG2 GLN 47 2HG GLN 47 5.718 -17.367 7.202
371 HG3 GLN 47 1HG GLN 47 7.362 -16.970 6.699
372 HE21 GLN 47 1HE2 GLN 47 4.351 -16.139 5.877
373 HE22 GLN 47 2HE2 GLN 47 4.491 -16.019 4.190
374 H ALA 48 H ALA 48 4.370 -21.586 6.267
375 HA ALA 48 HA ALA 48 6.357 -23.703 6.016
376 HB1 ALA 48 3HB ALA 48 4.758 -23.345 8.454
377 HB2 ALA 48 1HB ALA 48 6.197 -24.330 8.197
378 HB3 ALA 48 2HB ALA 48 4.608 -24.959 7.762
379 H GLY 49 H GLY 49 2.873 -23.761 6.826
380 HA2 GLY 49 2HA GLY 49 2.395 -25.235 4.288
381 HA3 GLY 49 1HA GLY 49 1.288 -25.177 5.661
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 3.653 24.102 -6.378
2 H2 ALA 1 2HT ALA 1 4.831 24.757 -5.343
3 H3 ALA 1 3HT ALA 1 3.181 24.901 -4.959
4 HA ALA 1 HA ALA 1 3.030 22.465 -4.732
5 HB1 ALA 1 3HB ALA 1 4.668 21.340 -5.808
6 HB2 ALA 1 1HB ALA 1 5.792 21.878 -4.560
7 HB3 ALA 1 2HB ALA 1 5.588 22.828 -6.033
8 H GLN 2 H GLN 2 3.825 21.392 -2.658
9 HA GLN 2 HA GLN 2 5.403 22.923 -0.761
10 HB2 GLN 2 2HB GLN 2 3.607 23.742 0.611
11 HB3 GLN 2 1HB GLN 2 3.206 24.198 -1.045
12 HG2 GLN 2 2HG GLN 2 1.694 22.317 -1.260
13 HG3 GLN 2 1HG GLN 2 2.187 21.688 0.311
14 HE21 GLN 2 1HE2 GLN 2 2.164 24.966 0.801
15 HE22 GLN 2 2HE2 GLN 2 0.562 25.166 1.318
16 H GLN 3 H GLN 3 4.821 21.956 1.587
17 HA GLN 3 HA GLN 3 4.650 20.032 2.957
18 HB2 GLN 3 2HB GLN 3 2.700 19.854 0.921
19 HB3 GLN 3 1HB GLN 3 3.459 18.263 0.998
20 HG2 GLN 3 2HG GLN 3 2.960 18.030 3.323
21 HG3 GLN 3 1HG GLN 3 2.513 19.730 3.467
22 HE21 GLN 3 1HE2 GLN 3 1.555 17.403 0.902
23 HE22 GLN 3 2HE2 GLN 3 -0.110 17.521 1.204
24 H ARG 4 H ARG 4 7.002 19.785 2.789
25 HA ARG 4 HA ARG 4 8.163 18.152 0.656
26 HB2 ARG 4 2HB ARG 4 10.211 18.502 1.965
27 HB3 ARG 4 1HB ARG 4 9.313 20.017 1.862
28 HG2 ARG 4 2HG ARG 4 8.215 19.239 4.098
29 HG3 ARG 4 1HG ARG 4 9.600 18.153 4.208
30 HD2 ARG 4 2HD ARG 4 10.389 20.880 3.469
31 HD3 ARG 4 1HD ARG 4 9.584 20.800 5.050
32 HE ARG 4 HE ARG 4 11.232 19.074 5.714
33 HH11 ARG 4 1HH1 ARG 4 12.191 18.096 3.117
34 HH12 ARG 4 2HH1 ARG 4 13.701 18.918 2.916
35 HH21 ARG 4 1HH2 ARG 4 13.021 21.318 5.326
36 HH22 ARG 4 2HH2 ARG 4 14.173 20.740 4.167
37 H LYS 5 H LYS 5 8.875 15.976 0.877
38 HA LYS 5 HA LYS 5 7.394 14.052 2.143
39 HB2 LYS 5 2HB LYS 5 9.605 12.740 2.207
40 HB3 LYS 5 1HB LYS 5 9.148 13.431 0.651
41 HG2 LYS 5 2HG LYS 5 10.601 15.395 1.119
42 HG3 LYS 5 1HG LYS 5 11.092 14.648 2.638
43 HD2 LYS 5 2HD LYS 5 11.440 12.676 0.640
44 HD3 LYS 5 1HD LYS 5 12.111 14.168 -0.016
45 HE2 LYS 5 2HE LYS 5 13.780 14.278 1.576
46 HE3 LYS 5 1HE LYS 5 12.779 13.508 2.824
47 HZ1 LYS 5 3HZ LYS 5 12.935 11.422 1.645
48 HZ2 LYS 5 1HZ LYS 5 14.495 11.996 1.977
49 HZ3 LYS 5 2HZ LYS 5 13.853 12.143 0.411
50 H VAL 6 H VAL 6 6.947 13.514 4.228
51 HA VAL 6 HA VAL 6 8.931 14.148 6.366
52 HB VAL 6 HB VAL 6 6.135 15.182 5.983
53 HG11 VAL 6 1HG1 VAL 6 5.599 14.446 8.078
54 HG12 VAL 6 2HG1 VAL 6 6.600 15.803 8.596
55 HG13 VAL 6 3HG1 VAL 6 7.286 14.180 8.523
56 HG21 VAL 6 3HG2 VAL 6 8.856 16.214 6.638
57 HG22 VAL 6 1HG2 VAL 6 7.479 17.083 7.315
58 HG23 VAL 6 2HG2 VAL 6 7.627 16.889 5.568
59 H ILE 7 H ILE 7 9.307 12.000 6.949
60 HA ILE 7 HA ILE 7 8.851 9.899 7.912
61 HB ILE 7 HB ILE 7 7.115 11.851 8.999
62 HG12 ILE 7 2HG1 ILE 7 8.790 10.271 10.091
63 HG13 ILE 7 1HG1 ILE 7 7.281 10.512 10.973
64 HG21 ILE 7 1HG2 ILE 7 5.069 10.655 9.502
65 HG22 ILE 7 2HG2 ILE 7 5.647 9.220 8.656
66 HG23 ILE 7 3HG2 ILE 7 5.268 10.684 7.749
67 HD11 ILE 7 3HD1 ILE 7 6.846 8.309 10.870
68 HD12 ILE 7 1HD1 ILE 7 8.380 8.058 10.037
69 HD13 ILE 7 2HD1 ILE 7 6.912 8.366 9.109
70 H ARG 8 H ARG 8 8.126 7.963 7.033
71 HA ARG 8 HA ARG 8 6.195 8.172 4.753
72 HB2 ARG 8 2HB ARG 8 8.322 7.426 4.013
73 HB3 ARG 8 1HB ARG 8 8.546 6.401 5.430
74 HG2 ARG 8 2HG ARG 8 7.464 4.668 4.464
75 HG3 ARG 8 1HG ARG 8 6.138 5.701 3.929
76 HD2 ARG 8 2HD ARG 8 7.487 4.633 2.045
77 HD3 ARG 8 1HD ARG 8 7.395 6.404 1.971
78 HE ARG 8 HE ARG 8 9.687 6.518 2.603
79 HH11 ARG 8 1HH1 ARG 8 9.412 4.516 4.879
80 HH12 ARG 8 2HH1 ARG 8 10.474 3.255 4.350
81 HH21 ARG 8 1HH2 ARG 8 10.617 4.388 1.075
82 HH22 ARG 8 2HH2 ARG 8 11.156 3.182 2.195
83 H CYS 9 H CYS 9 4.196 7.703 5.622
84 HA CYS 9 HA CYS 9 3.611 6.069 7.852
85 HB2 CYS 9 2HB CYS 9 1.340 6.152 6.957
86 HB3 CYS 9 1HB CYS 9 2.130 7.702 6.648
87 H TRP 10 H TRP 10 3.321 3.846 8.092
88 HA TRP 10 HA TRP 10 4.280 2.130 5.909
89 HB2 TRP 10 2HB TRP 10 4.670 0.635 7.609
90 HB3 TRP 10 1HB TRP 10 4.541 2.085 8.594
91 HD1 TRP 10 HD TRP 10 2.210 -0.697 7.255
92 HE1 TRP 10 1HE TRP 10 0.453 -1.216 9.059
93 HE3 TRP 10 3HE TRP 10 3.500 2.790 10.729
94 HZ2 TRP 10 2HZ TRP 10 -0.307 -0.260 11.655
95 HZ3 TRP 10 3HZ TRP 10 2.252 2.971 12.864
96 HH2 TRP 10 HH TRP 10 0.349 1.451 13.328
97 H ASN 11 H ASN 11 1.217 3.199 7.158
98 HA ASN 11 HA ASN 11 -0.453 1.021 6.452
99 HB2 ASN 11 2HB ASN 11 -1.380 2.836 7.675
100 HB3 ASN 11 1HB ASN 11 -0.789 4.024 6.512
101 HD21 ASN 11 1HD2 ASN 11 -3.101 1.267 6.759
102 HD22 ASN 11 2HD2 ASN 11 -4.176 1.874 5.593
103 H CYS 12 H CYS 12 0.155 3.965 4.493
104 HA CYS 12 HA CYS 12 -0.502 2.395 2.043
105 HB2 CYS 12 2HB CYS 12 -1.055 4.522 1.097
106 HB3 CYS 12 1HB CYS 12 -1.688 4.540 2.743
107 H GLY 13 H GLY 13 2.150 3.696 3.769
108 HA2 GLY 13 2HA GLY 13 4.447 3.647 3.254
109 HA3 GLY 13 1HA GLY 13 4.035 2.828 1.751
110 H LYS 14 H LYS 14 4.116 6.057 3.269
111 HA LYS 14 HA LYS 14 5.034 7.187 0.702
112 HB2 LYS 14 2HB LYS 14 2.449 7.014 0.799
113 HB3 LYS 14 1HB LYS 14 2.547 8.318 1.983
114 HG2 LYS 14 2HG LYS 14 4.033 8.601 -0.605
115 HG3 LYS 14 1HG LYS 14 2.291 8.881 -0.586
116 HD2 LYS 14 2HD LYS 14 2.516 10.590 1.111
117 HD3 LYS 14 1HD LYS 14 4.229 10.222 1.318
118 HE2 LYS 14 2HE LYS 14 3.471 10.844 -1.468
119 HE3 LYS 14 1HE LYS 14 3.286 12.198 -0.336
120 HZ1 LYS 14 3HZ LYS 14 5.699 10.522 -0.761
121 HZ2 LYS 14 1HZ LYS 14 5.527 11.592 0.545
122 HZ3 LYS 14 2HZ LYS 14 5.541 12.191 -1.045
123 H GLU 15 H GLU 15 6.654 8.563 1.282
124 HA GLU 15 HA GLU 15 7.201 9.438 3.940
125 HB2 GLU 15 2HB GLU 15 8.304 9.580 1.321
126 HB3 GLU 15 1HB GLU 15 8.280 11.221 1.966
127 HG2 GLU 15 2HG GLU 15 9.370 10.378 4.048
128 HG3 GLU 15 1HG GLU 15 9.484 8.782 3.305
129 H GLY 16 H GLY 16 4.890 10.218 4.414
130 HA2 GLY 16 2HA GLY 16 4.793 13.146 3.969
131 HA3 GLY 16 1HA GLY 16 3.384 12.207 3.468
132 H HIS 17 H HIS 17 3.426 10.289 5.576
133 HA HIS 17 HA HIS 17 3.337 11.765 8.127
134 HB2 HIS 17 2HB HIS 17 0.850 11.137 8.320
135 HB3 HIS 17 1HB HIS 17 1.238 12.452 7.211
136 HD1 HIS 17 1HD HIS 17 1.611 11.608 4.606
137 HD2 HIS 17 2HD HIS 17 -0.566 9.093 7.121
138 HE1 HIS 17 1HE HIS 17 0.344 10.015 3.100
139 H SER 18 H SER 18 1.732 9.974 9.548
140 HA SER 18 HA SER 18 3.380 7.489 9.399
141 HB2 SER 18 2HB SER 18 1.910 7.403 11.722
142 HB3 SER 18 1HB SER 18 3.515 8.121 11.582
143 HG SER 18 HG SER 18 1.642 9.429 12.450
144 H ALA 19 H ALA 19 2.246 5.409 9.730
145 HA ALA 19 HA ALA 19 0.114 4.904 7.979
146 HB1 ALA 19 3HB ALA 19 0.811 3.508 10.579
147 HB2 ALA 19 1HB ALA 19 1.622 3.239 9.038
148 HB3 ALA 19 2HB ALA 19 -0.073 2.790 9.235
149 H ARG 20 H ARG 20 -0.100 5.318 11.536
150 HA ARG 20 HA ARG 20 -2.797 5.076 12.024
151 HB2 ARG 20 2HB ARG 20 -1.028 5.724 13.648
152 HB3 ARG 20 1HB ARG 20 -0.994 7.342 12.944
153 HG2 ARG 20 2HG ARG 20 -3.623 7.188 13.421
154 HG3 ARG 20 1HG ARG 20 -3.073 6.066 14.668
155 HD2 ARG 20 2HD ARG 20 -1.301 8.053 15.099
156 HD3 ARG 20 1HD ARG 20 -2.651 9.011 14.459
157 HE ARG 20 HE ARG 20 -3.999 7.474 16.193
158 HH11 ARG 20 1HH1 ARG 20 -0.810 7.436 16.969
159 HH12 ARG 20 2HH1 ARG 20 -0.947 8.282 18.475
160 HH21 ARG 20 1HH2 ARG 20 -4.239 9.233 17.946
161 HH22 ARG 20 2HH2 ARG 20 -2.886 9.301 19.026
162 H GLN 21 H GLN 21 -1.214 7.781 10.370
163 HA GLN 21 HA GLN 21 -3.684 9.348 10.126
164 HB2 GLN 21 2HB GLN 21 -0.814 9.504 9.247
165 HB3 GLN 21 1HB GLN 21 -1.999 10.571 8.493
166 HG2 GLN 21 2HG GLN 21 -2.666 10.856 11.114
167 HG3 GLN 21 1HG GLN 21 -0.928 10.591 11.248
168 HE21 GLN 21 1HE2 GLN 21 0.104 12.586 11.336
169 HE22 GLN 21 2HE2 GLN 21 -0.298 13.937 10.376
170 H CYS 22 H CYS 22 -1.622 7.389 7.973
171 HA CYS 22 HA CYS 22 -3.488 7.717 5.705
172 HB2 CYS 22 2HB CYS 22 -0.773 7.337 6.034
173 HB3 CYS 22 1HB CYS 22 -1.323 5.736 5.553
174 H ARG 23 H ARG 23 -4.817 6.105 4.927
175 HA ARG 23 HA ARG 23 -4.839 3.486 6.367
176 HB2 ARG 23 2HB ARG 23 -6.639 5.504 6.802
177 HB3 ARG 23 1HB ARG 23 -7.432 4.622 5.497
178 HG2 ARG 23 2HG ARG 23 -6.404 2.697 7.336
179 HG3 ARG 23 1HG ARG 23 -7.280 3.914 8.266
180 HD2 ARG 23 2HD ARG 23 -8.582 2.956 5.754
181 HD3 ARG 23 1HD ARG 23 -8.556 1.840 7.133
182 HE ARG 23 HE ARG 23 -9.488 4.658 7.484
183 HH11 ARG 23 1HH1 ARG 23 -10.950 1.860 6.628
184 HH12 ARG 23 2HH1 ARG 23 -11.926 1.680 8.048
185 HH21 ARG 23 1HH2 ARG 23 -10.288 4.178 9.810
186 HH22 ARG 23 2HH2 ARG 23 -11.551 2.994 9.849
187 H ALA 24 H ALA 24 -4.207 4.906 3.552
188 HA ALA 24 HA ALA 24 -4.489 4.356 1.259
189 HB1 ALA 24 3HB ALA 24 -3.196 2.509 2.577
190 HB2 ALA 24 1HB ALA 24 -3.787 2.106 0.965
191 HB3 ALA 24 2HB ALA 24 -4.669 1.558 2.392
192 HA PRO 25 HA PRO 25 -8.690 3.161 0.373
193 HB2 PRO 25 2HB PRO 25 -9.077 0.531 -0.332
194 HB3 PRO 25 1HB PRO 25 -8.387 1.736 -1.438
195 HG2 PRO 25 2HG PRO 25 -7.016 -0.342 0.190
196 HG3 PRO 25 1HG PRO 25 -6.665 0.220 -1.452
197 HD2 PRO 25 2HD PRO 25 -5.243 0.983 0.718
198 HD3 PRO 25 1HD PRO 25 -5.429 2.012 -0.717
199 H ARG 26 H ARG 26 -8.527 -0.180 1.419
200 HA ARG 26 HA ARG 26 -9.969 0.544 3.842
201 HB2 ARG 26 2HB ARG 26 -10.864 -1.581 3.700
202 HB3 ARG 26 1HB ARG 26 -10.388 -1.385 2.017
203 HG2 ARG 26 2HG ARG 26 -9.430 -3.450 2.515
204 HG3 ARG 26 1HG ARG 26 -8.086 -2.365 2.866
205 HD2 ARG 26 2HD ARG 26 -8.362 -3.959 4.723
206 HD3 ARG 26 1HD ARG 26 -8.813 -2.340 5.281
207 HE ARG 26 HE ARG 26 -10.928 -4.155 4.216
208 HH11 ARG 26 1HH2 ARG 26 -10.307 -4.865 7.005
209 HH12 ARG 26 2HH2 ARG 26 -11.326 -3.803 7.918
210 HH21 ARG 26 1HH1 ARG 26 -11.915 -1.655 5.262
211 HH22 ARG 26 2HH1 ARG 26 -12.234 -1.983 6.932
212 H ARG 27 H ARG 27 -6.931 -0.601 2.698
213 HA ARG 27 HA ARG 27 -4.979 -0.055 4.313
214 HB2 ARG 27 2HB ARG 27 -6.857 -1.784 5.908
215 HB3 ARG 27 1HB ARG 27 -5.126 -1.909 6.197
216 HG2 ARG 27 2HG ARG 27 -5.662 0.846 6.040
217 HG3 ARG 27 1HG ARG 27 -6.932 0.164 7.054
218 HD2 ARG 27 2HD ARG 27 -3.949 -0.259 7.446
219 HD3 ARG 27 1HD ARG 27 -4.998 0.761 8.453
220 HE ARG 27 HE ARG 27 -5.168 -2.209 8.265
221 HH11 ARG 27 1HH1 ARG 27 -7.002 0.515 9.052
222 HH12 ARG 27 2HH1 ARG 27 -7.471 -0.048 10.621
223 HH21 ARG 27 1HH2 ARG 27 -5.391 -2.826 10.530
224 HH22 ARG 27 2HH2 ARG 27 -6.557 -1.944 11.460
225 H GLN 28 H GLN 28 -3.369 -1.998 4.841
226 HA GLN 28 HA GLN 28 -3.405 -3.722 2.445
227 HB2 GLN 28 2HB GLN 28 -1.481 -2.843 4.530
228 HB3 GLN 28 1HB GLN 28 -1.178 -4.427 3.820
229 HG2 GLN 28 2HG GLN 28 -0.014 -2.626 2.578
230 HG3 GLN 28 1HG GLN 28 -1.204 -3.455 1.574
231 HE21 GLN 28 1HE2 GLN 28 -1.784 -0.945 4.084
232 HE22 GLN 28 2HE2 GLN 28 -2.508 0.170 3.013
233 H GLY 29 H GLY 29 -5.472 -4.330 4.137
234 HA2 GLY 29 2HA GLY 29 -6.288 -5.949 5.722
235 HA3 GLY 29 1HA GLY 29 -5.764 -6.966 4.382
236 H CYS 30 H CYS 30 -3.785 -8.055 4.535
237 HA CYS 30 HA CYS 30 -2.834 -8.557 7.294
238 HB2 CYS 30 2HB CYS 30 -3.268 -10.012 4.957
239 HB3 CYS 30 1HB CYS 30 -1.513 -9.891 5.066
240 H TRP 31 H TRP 31 -0.937 -7.614 8.033
241 HA TRP 31 HA TRP 31 0.872 -6.417 5.969
242 HB2 TRP 31 2HB TRP 31 -0.373 -5.347 8.277
243 HB3 TRP 31 1HB TRP 31 1.356 -5.458 8.633
244 HD1 TRP 31 HD TRP 31 -1.077 -3.982 6.086
245 HE1 TRP 31 1HE TRP 31 0.116 -2.057 4.820
246 HE3 TRP 31 3HE TRP 31 3.616 -4.517 7.952
247 HZ2 TRP 31 2HZ TRP 31 2.765 -0.941 4.616
248 HZ3 TRP 31 3HZ TRP 31 5.465 -3.038 7.213
249 HH2 TRP 31 HH TRP 31 5.043 -1.252 5.547
250 H LYS 32 H LYS 32 0.587 -8.524 8.733
251 HA LYS 32 HA LYS 32 3.475 -8.954 9.024
252 HB2 LYS 32 2HB LYS 32 1.949 -9.138 10.922
253 HB3 LYS 32 1HB LYS 32 0.982 -10.341 10.065
254 HG2 LYS 32 2HG LYS 32 2.666 -11.982 10.215
255 HG3 LYS 32 1HG LYS 32 3.917 -10.788 10.569
256 HD2 LYS 32 2HD LYS 32 2.013 -10.442 12.589
257 HD3 LYS 32 1HD LYS 32 2.155 -12.191 12.400
258 HE2 LYS 32 2HE LYS 32 4.545 -12.115 12.756
259 HE3 LYS 32 1HE LYS 32 4.546 -10.341 12.688
260 HZ1 LYS 32 3HZ LYS 32 3.644 -10.164 14.732
261 HZ2 LYS 32 1HZ LYS 32 4.307 -11.708 14.964
262 HZ3 LYS 32 2HZ LYS 32 2.667 -11.543 14.550
263 H CYS 33 H CYS 33 1.270 -9.769 6.689
264 HA CYS 33 HA CYS 33 2.596 -12.401 6.110
265 HB2 CYS 33 2HB CYS 33 0.079 -12.212 6.671
266 HB3 CYS 33 1HB CYS 33 -0.086 -11.436 5.097
267 H GLY 34 H GLY 34 0.765 -9.929 4.257
268 HA2 GLY 34 2HA GLY 34 2.331 -8.567 2.685
269 HA3 GLY 34 1HA GLY 34 2.837 -10.160 2.119
270 H LYS 35 H LYS 35 -0.442 -9.110 3.004
271 HA LYS 35 HA LYS 35 -1.301 -8.950 0.204
272 HB2 LYS 35 2HB LYS 35 -1.215 -11.440 1.622
273 HB3 LYS 35 1HB LYS 35 -2.906 -11.013 1.358
274 HG2 LYS 35 2HG LYS 35 -0.752 -11.118 -0.777
275 HG3 LYS 35 1HG LYS 35 -2.035 -12.306 -0.549
276 HD2 LYS 35 2HD LYS 35 -2.571 -9.370 -1.069
277 HD3 LYS 35 1HD LYS 35 -2.501 -10.582 -2.348
278 HE2 LYS 35 2HE LYS 35 -4.215 -11.407 -0.113
279 HE3 LYS 35 1HE LYS 35 -4.780 -9.929 -0.917
280 HZ1 LYS 35 3HZ LYS 35 -4.609 -10.994 -3.036
281 HZ2 LYS 35 1HZ LYS 35 -5.536 -11.995 -2.030
282 HZ3 LYS 35 2HZ LYS 35 -3.914 -12.383 -2.350
283 H THR 36 H THR 36 -3.051 -7.593 0.140
284 HA THR 36 HA THR 36 -4.166 -6.456 2.540
285 HB THR 36 HB THR 36 -3.993 -5.206 0.479
286 HG1 THR 36 1HG THR 36 -5.809 -4.298 0.935
287 HG21 THR 36 3HG2 THR 36 -5.644 -6.030 -1.412
288 HG22 THR 36 1HG2 THR 36 -5.420 -7.593 -0.630
289 HG23 THR 36 2HG2 THR 36 -4.029 -6.723 -1.275
290 H GLY 37 H GLY 37 -6.780 -6.344 2.513
291 HA2 GLY 37 2HA GLY 37 -8.783 -7.500 2.909
292 HA3 GLY 37 1HA GLY 37 -8.222 -8.704 1.750
293 H HIS 38 H HIS 38 -7.382 -10.619 2.521
294 HA HIS 38 HA HIS 38 -7.991 -11.688 4.985
295 HB2 HIS 38 2HB HIS 38 -6.939 -13.419 3.979
296 HB3 HIS 38 1HB HIS 38 -6.423 -12.307 2.717
297 HD1 HIS 38 1HD HIS 38 -3.974 -12.524 2.353
298 HD2 HIS 38 2HD HIS 38 -4.962 -12.944 6.379
299 HE1 HIS 38 1HE HIS 38 -1.790 -12.859 3.590
300 H VAL 39 H VAL 39 -7.004 -11.779 7.044
301 HA VAL 39 HA VAL 39 -4.771 -9.823 7.510
302 HB VAL 39 HB VAL 39 -6.930 -10.505 9.506
303 HG11 VAL 39 1HG1 VAL 39 -4.648 -8.901 9.551
304 HG12 VAL 39 2HG1 VAL 39 -5.980 -8.848 10.705
305 HG13 VAL 39 3HG1 VAL 39 -5.972 -7.759 9.319
306 HG21 VAL 39 3HG2 VAL 39 -8.186 -9.833 7.551
307 HG22 VAL 39 1HG2 VAL 39 -7.080 -8.496 7.237
308 HG23 VAL 39 2HG2 VAL 39 -8.138 -8.452 8.648
309 H MET 40 H MET 40 -3.438 -10.379 9.455
310 HA MET 40 HA MET 40 -2.371 -12.938 9.523
311 HB2 MET 40 2HB MET 40 -1.417 -12.264 11.615
312 HB3 MET 40 1HB MET 40 -1.684 -10.767 10.722
313 HG2 MET 40 2HG MET 40 -3.988 -10.715 11.915
314 HG3 MET 40 1HG MET 40 -3.278 -11.896 13.018
315 HE1 MET 40 3HE MET 40 -3.088 -7.525 13.327
316 HE2 MET 40 1HE MET 40 -4.381 -8.728 13.240
317 HE3 MET 40 2HE MET 40 -3.476 -8.296 11.790
318 H ALA 41 H ALA 41 -5.364 -11.814 10.934
319 HA ALA 41 HA ALA 41 -5.856 -14.094 12.675
320 HB1 ALA 41 3HB ALA 41 -7.555 -12.708 13.285
321 HB2 ALA 41 1HB ALA 41 -8.183 -12.673 11.637
322 HB3 ALA 41 2HB ALA 41 -6.912 -11.551 12.119
323 H LYS 42 H LYS 42 -7.142 -13.017 9.564
324 HA LYS 42 HA LYS 42 -8.355 -15.685 9.077
325 HB2 LYS 42 2HB LYS 42 -8.872 -12.876 8.610
326 HB3 LYS 42 1HB LYS 42 -9.013 -13.793 7.097
327 HG2 LYS 42 2HG LYS 42 -10.240 -15.256 9.266
328 HG3 LYS 42 1HG LYS 42 -10.906 -13.624 9.190
329 HD2 LYS 42 2HD LYS 42 -10.570 -15.146 6.632
330 HD3 LYS 42 1HD LYS 42 -11.922 -15.561 7.686
331 HE2 LYS 42 2HE LYS 42 -11.604 -12.662 7.358
332 HE3 LYS 42 1HE LYS 42 -11.943 -13.504 5.833
333 HZ1 LYS 42 3HZ LYS 42 -13.918 -14.297 6.588
334 HZ2 LYS 42 1HZ LYS 42 -13.864 -12.880 7.520
335 HZ3 LYS 42 2HZ LYS 42 -13.410 -14.366 8.208
336 H CYS 43 H CYS 43 -5.423 -15.253 8.785
337 HA CYS 43 HA CYS 43 -4.958 -15.177 5.865
338 HB2 CYS 43 2HB CYS 43 -3.534 -14.125 7.738
339 HB3 CYS 43 1HB CYS 43 -2.995 -15.768 8.091
340 HA PRO 44 HA PRO 44 -5.330 -19.610 5.750
341 HB2 PRO 44 2HB PRO 44 -4.719 -19.906 3.100
342 HB3 PRO 44 1HB PRO 44 -6.301 -19.339 3.670
343 HG2 PRO 44 2HG PRO 44 -4.036 -17.800 2.531
344 HG3 PRO 44 1HG PRO 44 -5.778 -17.536 2.370
345 HD2 PRO 44 2HD PRO 44 -4.115 -16.106 4.047
346 HD3 PRO 44 1HD PRO 44 -5.874 -16.251 4.243
347 H GLU 45 H GLU 45 -2.552 -17.759 5.581
348 HA GLU 45 HA GLU 45 -0.243 -18.284 5.577
349 HB2 GLU 45 2HB GLU 45 -1.804 -20.284 7.067
350 HB3 GLU 45 1HB GLU 45 -0.211 -20.862 6.574
351 HG2 GLU 45 2HG GLU 45 0.784 -18.772 7.545
352 HG3 GLU 45 1HG GLU 45 -0.816 -18.347 8.158
353 H ARG 46 H ARG 46 -0.704 -18.410 3.054
354 HA ARG 46 HA ARG 46 -0.376 -19.544 0.998
355 HB2 ARG 46 2HB ARG 46 1.536 -21.125 2.738
356 HB3 ARG 46 1HB ARG 46 1.715 -20.743 1.025
357 HG2 ARG 46 2HG ARG 46 1.529 -18.246 1.912
358 HG3 ARG 46 1HG ARG 46 2.102 -18.979 3.411
359 HD2 ARG 46 2HD ARG 46 4.049 -18.256 2.135
360 HD3 ARG 46 1HD ARG 46 3.986 -20.028 2.064
361 HE ARG 46 HE ARG 46 2.927 -19.810 -0.177
362 HH11 ARG 46 1HH1 ARG 46 2.039 -16.977 -0.041
363 HH12 ARG 46 2HH1 ARG 46 3.250 -16.156 -0.969
364 HH21 ARG 46 1HH2 ARG 46 5.508 -18.784 -0.838
365 HH22 ARG 46 2HH2 ARG 46 5.214 -17.179 -1.418
366 H GLN 47 H GLN 47 -2.451 -20.629 0.871
367 HA GLN 47 HA GLN 47 -2.362 -23.524 1.666
368 HB2 GLN 47 2HB GLN 47 -3.997 -21.621 2.669
369 HB3 GLN 47 1HB GLN 47 -4.946 -22.100 1.261
370 HG2 GLN 47 2HG GLN 47 -5.097 -24.352 1.989
371 HG3 GLN 47 1HG GLN 47 -3.801 -24.143 3.167
372 HE21 GLN 47 1HE2 GLN 47 -4.790 -24.330 5.193
373 HE22 GLN 47 2HE2 GLN 47 -6.194 -23.499 5.661
374 H ALA 48 H ALA 48 -4.997 -23.771 0.196
375 HA ALA 48 HA ALA 48 -4.085 -24.756 -2.289
376 HB1 ALA 48 3HB ALA 48 -6.493 -24.722 -2.859
377 HB2 ALA 48 1HB ALA 48 -6.793 -23.617 -1.517
378 HB3 ALA 48 2HB ALA 48 -6.250 -25.265 -1.198
379 H GLY 49 H GLY 49 -3.371 -23.682 -4.087
380 HA2 GLY 49 2HA GLY 49 -4.638 -21.310 -5.109
381 HA3 GLY 49 1HA GLY 49 -3.121 -20.892 -4.312
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 8.799 22.525 7.286
2 H2 ALA 1 2HT ALA 1 8.457 21.176 8.259
3 H3 ALA 1 3HT ALA 1 9.042 20.962 6.678
4 HA ALA 1 HA ALA 1 10.815 22.591 8.223
5 HB1 ALA 1 3HB ALA 1 10.650 19.753 9.161
6 HB2 ALA 1 1HB ALA 1 9.483 20.904 9.810
7 HB3 ALA 1 2HB ALA 1 11.210 21.183 10.025
8 H GLN 2 H GLN 2 12.498 20.056 8.493
9 HA GLN 2 HA GLN 2 13.664 20.131 5.822
10 HB2 GLN 2 2HB GLN 2 14.160 18.662 8.411
11 HB3 GLN 2 1HB GLN 2 15.094 18.286 6.964
12 HG2 GLN 2 2HG GLN 2 15.294 20.978 6.932
13 HG3 GLN 2 1HG GLN 2 15.144 20.717 8.670
14 HE21 GLN 2 1HE2 GLN 2 17.598 21.660 7.861
15 HE22 GLN 2 2HE2 GLN 2 18.763 20.427 7.897
16 H GLN 3 H GLN 3 12.093 17.601 7.780
17 HA GLN 3 HA GLN 3 10.888 15.680 7.110
18 HB2 GLN 3 2HB GLN 3 10.514 17.751 5.148
19 HB3 GLN 3 1HB GLN 3 10.593 16.192 4.325
20 HG2 GLN 3 2HG GLN 3 8.697 15.388 5.364
21 HG3 GLN 3 1HG GLN 3 8.957 16.355 6.817
22 HE21 GLN 3 1HE2 GLN 3 9.179 18.944 5.738
23 HE22 GLN 3 2HE2 GLN 3 7.718 19.369 4.984
24 H ARG 4 H ARG 4 13.055 14.595 7.437
25 HA ARG 4 HA ARG 4 15.025 14.145 5.502
26 HB2 ARG 4 2HB ARG 4 15.315 11.970 6.735
27 HB3 ARG 4 1HB ARG 4 15.150 13.361 7.807
28 HG2 ARG 4 2HG ARG 4 12.531 12.633 7.454
29 HG3 ARG 4 1HG ARG 4 13.341 11.065 7.418
30 HD2 ARG 4 2HD ARG 4 14.070 11.239 9.615
31 HD3 ARG 4 1HD ARG 4 14.128 13.012 9.560
32 HE ARG 4 HE ARG 4 11.484 11.643 9.393
33 HH11 ARG 4 1HH1 ARG 4 12.902 14.560 9.981
34 HH12 ARG 4 2HH1 ARG 4 12.122 14.867 11.496
35 HH21 ARG 4 1HH2 ARG 4 10.829 11.661 11.781
36 HH22 ARG 4 2HH2 ARG 4 10.947 13.225 12.516
37 H LYS 5 H LYS 5 14.589 13.612 3.383
38 HA LYS 5 HA LYS 5 13.745 12.400 1.538
39 HB2 LYS 5 2HB LYS 5 13.349 10.355 3.749
40 HB3 LYS 5 1HB LYS 5 13.434 10.000 2.023
41 HG2 LYS 5 2HG LYS 5 15.732 11.084 2.027
42 HG3 LYS 5 1HG LYS 5 15.634 11.097 3.788
43 HD2 LYS 5 2HD LYS 5 14.933 8.499 2.633
44 HD3 LYS 5 1HD LYS 5 16.582 8.997 2.249
45 HE2 LYS 5 2HE LYS 5 17.117 8.208 4.321
46 HE3 LYS 5 1HE LYS 5 16.319 9.668 4.941
47 HZ1 LYS 5 3HZ LYS 5 15.041 7.044 4.383
48 HZ2 LYS 5 1HZ LYS 5 14.186 8.453 4.783
49 HZ3 LYS 5 2HZ LYS 5 15.258 7.763 5.907
50 H VAL 6 H VAL 6 11.686 11.645 0.596
51 HA VAL 6 HA VAL 6 9.358 12.883 1.889
52 HB VAL 6 HB VAL 6 8.301 12.215 -0.274
53 HG11 VAL 6 1HG1 VAL 6 9.227 14.053 -1.203
54 HG12 VAL 6 2HG1 VAL 6 10.808 13.280 -1.311
55 HG13 VAL 6 3HG1 VAL 6 10.323 14.087 0.179
56 HG21 VAL 6 3HG2 VAL 6 9.157 10.475 -1.418
57 HG22 VAL 6 1HG2 VAL 6 10.480 10.355 -0.258
58 HG23 VAL 6 2HG2 VAL 6 10.643 11.389 -1.678
59 H ILE 7 H ILE 7 9.448 11.302 3.748
60 HA ILE 7 HA ILE 7 9.249 8.800 4.301
61 HB ILE 7 HB ILE 7 6.593 10.205 4.560
62 HG12 ILE 7 2HG1 ILE 7 8.457 11.859 5.015
63 HG13 ILE 7 1HG1 ILE 7 7.458 11.501 6.417
64 HG21 ILE 7 1HG2 ILE 7 6.928 7.919 5.483
65 HG22 ILE 7 2HG2 ILE 7 6.628 9.109 6.749
66 HG23 ILE 7 3HG2 ILE 7 8.268 8.530 6.453
67 HD11 ILE 7 3HD1 ILE 7 9.073 10.034 7.344
68 HD12 ILE 7 1HD1 ILE 7 9.981 11.447 6.808
69 HD13 ILE 7 2HD1 ILE 7 9.990 9.973 5.839
70 H ARG 8 H ARG 8 8.931 7.043 2.963
71 HA ARG 8 HA ARG 8 6.915 7.046 0.832
72 HB2 ARG 8 2HB ARG 8 9.282 5.913 1.045
73 HB3 ARG 8 1HB ARG 8 8.389 4.637 1.874
74 HG2 ARG 8 2HG ARG 8 7.324 3.959 -0.031
75 HG3 ARG 8 1HG ARG 8 7.193 5.602 -0.662
76 HD2 ARG 8 2HD ARG 8 9.619 5.564 -1.226
77 HD3 ARG 8 1HD ARG 8 9.701 3.883 -0.661
78 HE ARG 8 HE ARG 8 8.141 3.265 -2.455
79 HH11 ARG 8 1HH2 ARG 8 10.371 5.568 -3.186
80 HH12 ARG 8 2HH2 ARG 8 9.517 6.272 -4.518
81 HH21 ARG 8 1HH1 ARG 8 6.570 4.566 -3.876
82 HH22 ARG 8 2HH1 ARG 8 7.367 5.705 -4.909
83 H CYS 9 H CYS 9 4.800 6.987 1.631
84 HA CYS 9 HA CYS 9 3.967 5.660 4.035
85 HB2 CYS 9 2HB CYS 9 2.754 7.486 2.929
86 HB3 CYS 9 1HB CYS 9 2.471 6.462 1.517
87 H TRP 10 H TRP 10 4.045 3.471 4.328
88 HA TRP 10 HA TRP 10 3.857 1.636 2.016
89 HB2 TRP 10 2HB TRP 10 5.345 0.557 3.325
90 HB3 TRP 10 1HB TRP 10 5.104 1.745 4.595
91 HD1 TRP 10 HD TRP 10 5.171 -1.733 4.324
92 HE1 TRP 10 1HE TRP 10 3.595 -2.940 5.963
93 HE3 TRP 10 3HE TRP 10 2.122 2.149 5.639
94 HZ2 TRP 10 2HZ TRP 10 1.347 -2.342 7.621
95 HZ3 TRP 10 3HZ TRP 10 0.279 1.801 7.255
96 HH2 TRP 10 HH TRP 10 -0.114 -0.435 8.247
97 H ASN 11 H ASN 11 1.549 3.245 3.501
98 HA ASN 11 HA ASN 11 -0.229 0.916 4.077
99 HB2 ASN 11 2HB ASN 11 0.190 3.000 5.593
100 HB3 ASN 11 1HB ASN 11 -0.872 3.836 4.457
101 HD21 ASN 11 1HD2 ASN 11 -3.076 2.763 4.102
102 HD22 ASN 11 2HD2 ASN 11 -3.780 1.945 5.411
103 H CYS 12 H CYS 12 0.227 3.657 1.930
104 HA CYS 12 HA CYS 12 -2.139 2.729 0.325
105 HB2 CYS 12 2HB CYS 12 -2.546 5.042 -0.203
106 HB3 CYS 12 1HB CYS 12 -2.288 4.955 1.542
107 H GLY 13 H GLY 13 1.239 3.542 0.373
108 HA2 GLY 13 2HA GLY 13 2.817 2.878 -1.303
109 HA3 GLY 13 1HA GLY 13 1.482 2.659 -2.437
110 H LYS 14 H LYS 14 2.490 5.457 -0.442
111 HA LYS 14 HA LYS 14 3.257 6.984 -2.831
112 HB2 LYS 14 2HB LYS 14 0.911 7.202 -3.097
113 HB3 LYS 14 1HB LYS 14 0.648 7.375 -1.362
114 HG2 LYS 14 2HG LYS 14 0.505 9.525 -2.756
115 HG3 LYS 14 1HG LYS 14 1.550 9.578 -1.337
116 HD2 LYS 14 2HD LYS 14 3.520 9.401 -2.634
117 HD3 LYS 14 1HD LYS 14 2.639 8.829 -4.049
118 HE2 LYS 14 2HE LYS 14 2.491 10.970 -4.779
119 HE3 LYS 14 1HE LYS 14 1.551 11.376 -3.329
120 HZ1 LYS 14 3HZ LYS 14 4.432 11.615 -3.799
121 HZ2 LYS 14 1HZ LYS 14 3.922 11.206 -2.234
122 HZ3 LYS 14 2HZ LYS 14 3.386 12.650 -2.951
123 H GLU 15 H GLU 15 5.046 7.997 -2.020
124 HA GLU 15 HA GLU 15 5.759 8.441 0.636
125 HB2 GLU 15 2HB GLU 15 6.314 10.027 -1.887
126 HB3 GLU 15 1HB GLU 15 7.202 10.260 -0.381
127 HG2 GLU 15 2HG GLU 15 8.502 8.475 -0.816
128 HG3 GLU 15 1HG GLU 15 7.082 7.447 -1.021
129 H GLY 16 H GLY 16 6.097 10.878 1.468
130 HA2 GLY 16 2HA GLY 16 4.958 13.125 1.453
131 HA3 GLY 16 1HA GLY 16 3.441 12.243 1.272
132 H HIS 17 H HIS 17 4.328 10.130 3.183
133 HA HIS 17 HA HIS 17 4.743 11.498 5.743
134 HB2 HIS 17 2HB HIS 17 2.457 10.670 6.550
135 HB3 HIS 17 1HB HIS 17 2.426 12.025 5.422
136 HD1 HIS 17 1HD HIS 17 1.951 11.377 2.849
137 HD2 HIS 17 2HD HIS 17 1.136 8.393 5.644
138 HE1 HIS 17 1HE HIS 17 0.475 9.684 1.678
139 H SER 18 H SER 18 4.029 9.634 7.532
140 HA SER 18 HA SER 18 5.773 7.369 6.914
141 HB2 SER 18 2HB SER 18 5.219 6.763 9.255
142 HB3 SER 18 1HB SER 18 5.707 8.446 9.112
143 HG SER 18 HG SER 18 3.000 7.772 8.851
144 H ALA 19 H ALA 19 4.702 5.196 7.971
145 HA ALA 19 HA ALA 19 2.532 4.512 6.081
146 HB1 ALA 19 3HB ALA 19 4.754 3.238 7.449
147 HB2 ALA 19 1HB ALA 19 3.877 2.702 6.017
148 HB3 ALA 19 2HB ALA 19 3.279 2.289 7.623
149 H ARG 20 H ARG 20 3.116 4.428 9.612
150 HA ARG 20 HA ARG 20 0.563 3.308 10.303
151 HB2 ARG 20 2HB ARG 20 1.272 3.764 12.527
152 HB3 ARG 20 1HB ARG 20 2.760 3.492 11.628
153 HG2 ARG 20 2HG ARG 20 1.824 6.307 11.674
154 HG3 ARG 20 1HG ARG 20 2.340 5.656 13.224
155 HD2 ARG 20 2HD ARG 20 4.177 4.896 11.086
156 HD3 ARG 20 1HD ARG 20 4.030 6.658 11.249
157 HE ARG 20 HE ARG 20 4.218 5.322 13.828
158 HH11 ARG 20 1HH2 ARG 20 5.548 7.682 11.908
159 HH12 ARG 20 2HH2 ARG 20 7.182 7.471 12.444
160 HH21 ARG 20 1HH1 ARG 20 6.507 4.559 14.203
161 HH22 ARG 20 2HH1 ARG 20 7.724 5.702 13.745
162 H GLN 21 H GLN 21 1.332 6.391 9.091
163 HA GLN 21 HA GLN 21 -0.824 7.802 10.541
164 HB2 GLN 21 2HB GLN 21 1.480 8.710 9.843
165 HB3 GLN 21 1HB GLN 21 0.833 8.768 8.203
166 HG2 GLN 21 2HG GLN 21 -0.193 10.711 8.668
167 HG3 GLN 21 1HG GLN 21 -1.109 9.919 9.951
168 HE21 GLN 21 1HE2 GLN 21 0.102 12.669 9.960
169 HE22 GLN 21 2HE2 GLN 21 1.156 12.696 11.300
170 H CYS 22 H CYS 22 -0.154 6.572 7.271
171 HA CYS 22 HA CYS 22 -2.759 7.541 6.260
172 HB2 CYS 22 2HB CYS 22 -0.205 6.957 5.235
173 HB3 CYS 22 1HB CYS 22 -1.271 5.729 4.552
174 H ARG 23 H ARG 23 -4.449 6.172 5.652
175 HA ARG 23 HA ARG 23 -4.267 3.328 6.527
176 HB2 ARG 23 2HB ARG 23 -5.880 3.984 7.997
177 HB3 ARG 23 1HB ARG 23 -6.026 5.555 7.223
178 HG2 ARG 23 2HG ARG 23 -8.174 4.530 7.025
179 HG3 ARG 23 1HG ARG 23 -7.436 4.387 5.431
180 HD2 ARG 23 2HD ARG 23 -7.674 2.138 5.541
181 HD3 ARG 23 1HD ARG 23 -6.651 2.106 6.989
182 HE ARG 23 HE ARG 23 -9.509 1.870 7.007
183 HH11 ARG 23 1HH1 ARG 23 -6.953 1.864 9.052
184 HH12 ARG 23 2HH1 ARG 23 -7.721 2.696 10.364
185 HH21 ARG 23 1HH2 ARG 23 -10.490 3.630 8.498
186 HH22 ARG 23 2HH2 ARG 23 -9.724 3.691 10.051
187 H ALA 24 H ALA 24 -4.506 5.450 3.939
188 HA ALA 24 HA ALA 24 -5.365 5.246 1.728
189 HB1 ALA 24 3HB ALA 24 -3.547 3.363 2.395
190 HB2 ALA 24 1HB ALA 24 -4.280 3.433 0.793
191 HB3 ALA 24 2HB ALA 24 -4.906 2.310 2.000
192 HA PRO 25 HA PRO 25 -9.384 3.440 1.606
193 HB2 PRO 25 2HB PRO 25 -9.532 1.407 -0.227
194 HB3 PRO 25 1HB PRO 25 -9.417 3.117 -0.686
195 HG2 PRO 25 2HG PRO 25 -7.310 1.026 -0.655
196 HG3 PRO 25 1HG PRO 25 -7.560 2.366 -1.783
197 HD2 PRO 25 2HD PRO 25 -5.698 2.362 0.220
198 HD3 PRO 25 1HD PRO 25 -6.386 3.836 -0.489
199 H ARG 26 H ARG 26 -8.622 0.161 0.760
200 HA ARG 26 HA ARG 26 -9.203 -0.606 3.496
201 HB2 ARG 26 2HB ARG 26 -9.192 -2.026 0.854
202 HB3 ARG 26 1HB ARG 26 -9.380 -2.908 2.369
203 HG2 ARG 26 2HG ARG 26 -11.265 -1.017 1.032
204 HG3 ARG 26 1HG ARG 26 -11.609 -2.494 1.925
205 HD2 ARG 26 2HD ARG 26 -11.063 -1.305 4.064
206 HD3 ARG 26 1HD ARG 26 -10.814 0.189 3.136
207 HE ARG 26 HE ARG 26 -13.393 -0.901 3.808
208 HH11 ARG 26 1HH2 ARG 26 -12.839 1.933 2.925
209 HH12 ARG 26 2HH2 ARG 26 -13.662 1.995 1.402
210 HH21 ARG 26 1HH1 ARG 26 -13.926 -1.448 1.101
211 HH22 ARG 26 2HH1 ARG 26 -14.278 0.082 0.370
212 H ARG 27 H ARG 27 -6.551 0.375 2.334
213 HA ARG 27 HA ARG 27 -4.267 -0.596 2.245
214 HB2 ARG 27 2HB ARG 27 -3.657 -0.137 4.671
215 HB3 ARG 27 1HB ARG 27 -4.552 1.149 3.855
216 HG2 ARG 27 2HG ARG 27 -6.051 1.011 5.534
217 HG3 ARG 27 1HG ARG 27 -6.547 -0.521 4.843
218 HD2 ARG 27 2HD ARG 27 -5.890 -1.495 6.785
219 HD3 ARG 27 1HD ARG 27 -4.224 -1.149 6.287
220 HE ARG 27 HE ARG 27 -5.032 1.255 7.331
221 HH11 ARG 27 1HH2 ARG 27 -4.915 -2.022 8.407
222 HH12 ARG 27 2HH2 ARG 27 -4.910 -1.608 10.088
223 HH21 ARG 27 1HH1 ARG 27 -5.132 1.806 9.528
224 HH22 ARG 27 2HH1 ARG 27 -5.033 0.556 10.723
225 H GLN 28 H GLN 28 -5.402 -2.885 1.796
226 HA GLN 28 HA GLN 28 -5.932 -5.103 2.893
227 HB2 GLN 28 2HB GLN 28 -3.151 -4.603 1.822
228 HB3 GLN 28 1HB GLN 28 -3.774 -6.223 2.141
229 HG2 GLN 28 2HG GLN 28 -4.937 -4.171 0.248
230 HG3 GLN 28 1HG GLN 28 -4.183 -5.706 -0.183
231 HE21 GLN 28 1HE2 GLN 28 -7.107 -4.227 1.143
232 HE22 GLN 28 2HE2 GLN 28 -8.056 -5.644 1.108
233 H GLY 29 H GLY 29 -6.031 -5.792 4.966
234 HA2 GLY 29 2HA GLY 29 -4.794 -4.955 7.223
235 HA3 GLY 29 1HA GLY 29 -5.154 -6.665 6.992
236 H CYS 30 H CYS 30 -3.448 -8.069 6.287
237 HA CYS 30 HA CYS 30 -0.777 -7.237 7.101
238 HB2 CYS 30 2HB CYS 30 -2.147 -9.588 6.886
239 HB3 CYS 30 1HB CYS 30 -1.160 -9.649 5.428
240 H TRP 31 H TRP 31 1.091 -7.285 5.566
241 HA TRP 31 HA TRP 31 0.295 -6.125 2.948
242 HB2 TRP 31 2HB TRP 31 2.322 -5.699 4.922
243 HB3 TRP 31 1HB TRP 31 3.109 -6.108 3.395
244 HD1 TRP 31 HD TRP 31 -0.087 -4.080 4.144
245 HE1 TRP 31 1HE TRP 31 0.082 -1.818 2.900
246 HE3 TRP 31 3HE TRP 31 4.538 -4.585 2.108
247 HZ2 TRP 31 2HZ TRP 31 1.977 -0.422 1.240
248 HZ3 TRP 31 3HZ TRP 31 5.517 -2.795 0.697
249 HH2 TRP 31 HH TRP 31 4.239 -0.714 0.261
250 H LYS 32 H LYS 32 2.823 -8.406 4.104
251 HA LYS 32 HA LYS 32 3.433 -9.502 1.565
252 HB2 LYS 32 2HB LYS 32 3.438 -10.738 4.342
253 HB3 LYS 32 1HB LYS 32 4.283 -11.411 2.948
254 HG2 LYS 32 2HG LYS 32 6.024 -10.045 3.331
255 HG3 LYS 32 1HG LYS 32 4.970 -8.644 3.146
256 HD2 LYS 32 2HD LYS 32 4.837 -8.304 5.383
257 HD3 LYS 32 1HD LYS 32 4.640 -10.025 5.719
258 HE2 LYS 32 2HE LYS 32 6.973 -10.411 5.749
259 HE3 LYS 32 1HE LYS 32 7.320 -8.898 4.887
260 HZ1 LYS 32 3HZ LYS 32 6.071 -7.845 6.881
261 HZ2 LYS 32 1HZ LYS 32 7.701 -8.283 7.060
262 HZ3 LYS 32 2HZ LYS 32 6.478 -9.287 7.681
263 H CYS 33 H CYS 33 0.882 -10.309 3.896
264 HA CYS 33 HA CYS 33 -0.691 -11.645 1.802
265 HB2 CYS 33 2HB CYS 33 -0.709 -13.805 3.019
266 HB3 CYS 33 1HB CYS 33 0.929 -13.367 2.530
267 H GLY 34 H GLY 34 -1.867 -9.608 2.765
268 HA2 GLY 34 2HA GLY 34 -3.114 -10.159 5.396
269 HA3 GLY 34 1HA GLY 34 -3.240 -8.648 4.497
270 H LYS 35 H LYS 35 -4.765 -8.520 2.773
271 HA LYS 35 HA LYS 35 -6.854 -8.977 1.759
272 HB2 LYS 35 2HB LYS 35 -5.480 -11.613 2.144
273 HB3 LYS 35 1HB LYS 35 -7.159 -11.619 1.602
274 HG2 LYS 35 2HG LYS 35 -6.405 -9.889 -0.159
275 HG3 LYS 35 1HG LYS 35 -4.761 -10.385 0.245
276 HD2 LYS 35 2HD LYS 35 -4.974 -12.379 -0.820
277 HD3 LYS 35 1HD LYS 35 -6.610 -12.632 -0.210
278 HE2 LYS 35 2HE LYS 35 -6.097 -10.549 -2.334
279 HE3 LYS 35 1HE LYS 35 -6.320 -12.254 -2.774
280 HZ1 LYS 35 3HZ LYS 35 -8.159 -10.739 -1.000
281 HZ2 LYS 35 1HZ LYS 35 -8.383 -12.310 -1.600
282 HZ3 LYS 35 2HZ LYS 35 -8.432 -10.984 -2.660
283 H THR 36 H THR 36 -6.601 -8.711 4.755
284 HA THR 36 HA THR 36 -9.325 -9.325 5.469
285 HB THR 36 HB THR 36 -8.545 -11.612 5.459
286 HG1 THR 36 1HG THR 36 -9.543 -11.830 7.275
287 HG21 THR 36 3HG2 THR 36 -6.476 -11.427 7.484
288 HG22 THR 36 1HG2 THR 36 -6.076 -10.441 6.079
289 HG23 THR 36 2HG2 THR 36 -6.405 -12.162 5.882
290 H GLY 37 H GLY 37 -8.213 -9.968 8.317
291 HA2 GLY 37 2HA GLY 37 -7.572 -7.127 8.981
292 HA3 GLY 37 1HA GLY 37 -8.362 -8.256 10.084
293 H HIS 38 H HIS 38 -6.630 -10.497 9.601
294 HA HIS 38 HA HIS 38 -4.659 -10.230 11.533
295 HB2 HIS 38 2HB HIS 38 -4.424 -12.389 10.911
296 HB3 HIS 38 1HB HIS 38 -5.487 -12.067 9.548
297 HD1 HIS 38 1HD HIS 38 -4.414 -13.069 7.541
298 HD2 HIS 38 2HD HIS 38 -1.622 -11.149 9.965
299 HE1 HIS 38 1HE HIS 38 -2.194 -13.234 6.338
300 H VAL 39 H VAL 39 -2.740 -9.148 11.678
301 HA VAL 39 HA VAL 39 -1.759 -7.717 9.240
302 HB VAL 39 HB VAL 39 -0.835 -6.145 10.859
303 HG11 VAL 39 1HG1 VAL 39 -3.654 -7.079 11.408
304 HG12 VAL 39 2HG1 VAL 39 -3.132 -5.712 10.423
305 HG13 VAL 39 3HG1 VAL 39 -2.978 -5.645 12.178
306 HG21 VAL 39 3HG2 VAL 39 -0.688 -6.554 13.163
307 HG22 VAL 39 1HG2 VAL 39 -0.336 -8.147 12.493
308 HG23 VAL 39 2HG2 VAL 39 -1.944 -7.790 13.122
309 H MET 40 H MET 40 0.723 -7.324 9.358
310 HA MET 40 HA MET 40 2.103 -9.847 9.272
311 HB2 MET 40 2HB MET 40 4.022 -8.415 8.792
312 HB3 MET 40 1HB MET 40 2.603 -7.739 7.990
313 HG2 MET 40 2HG MET 40 2.409 -6.487 10.378
314 HG3 MET 40 1HG MET 40 4.160 -6.682 10.288
315 HE1 MET 40 3HE MET 40 3.536 -4.070 10.617
316 HE2 MET 40 1HE MET 40 4.001 -3.061 9.240
317 HE3 MET 40 2HE MET 40 5.104 -4.292 9.846
318 H ALA 41 H ALA 41 1.370 -7.678 11.848
319 HA ALA 41 HA ALA 41 3.559 -8.039 13.631
320 HB1 ALA 41 3HB ALA 41 2.078 -7.100 15.182
321 HB2 ALA 41 1HB ALA 41 0.693 -7.977 14.534
322 HB3 ALA 41 2HB ALA 41 1.347 -6.593 13.658
323 H LYS 42 H LYS 42 1.135 -10.249 12.561
324 HA LYS 42 HA LYS 42 2.146 -12.295 14.471
325 HB2 LYS 42 2HB LYS 42 -0.338 -10.798 14.539
326 HB3 LYS 42 1HB LYS 42 -0.657 -12.540 14.411
327 HG2 LYS 42 2HG LYS 42 1.423 -11.597 16.346
328 HG3 LYS 42 1HG LYS 42 -0.277 -11.396 16.774
329 HD2 LYS 42 2HD LYS 42 0.808 -14.036 15.782
330 HD3 LYS 42 1HD LYS 42 0.845 -13.602 17.491
331 HE2 LYS 42 2HE LYS 42 -1.344 -14.140 17.712
332 HE3 LYS 42 1HE LYS 42 -1.778 -13.044 16.383
333 HZ1 LYS 42 3HZ LYS 42 -0.737 -14.854 14.911
334 HZ2 LYS 42 1HZ LYS 42 -2.296 -15.121 15.524
335 HZ3 LYS 42 2HZ LYS 42 -0.957 -15.877 16.248
336 H CYS 43 H CYS 43 1.834 -11.619 11.372
337 HA CYS 43 HA CYS 43 0.345 -14.009 10.469
338 HB2 CYS 43 2HB CYS 43 0.236 -11.742 9.387
339 HB3 CYS 43 1HB CYS 43 1.927 -11.934 8.926
340 HA PRO 44 HA PRO 44 4.106 -16.377 10.376
341 HB2 PRO 44 2HB PRO 44 3.064 -18.579 9.132
342 HB3 PRO 44 1HB PRO 44 2.785 -18.220 10.848
343 HG2 PRO 44 2HG PRO 44 0.995 -17.807 8.512
344 HG3 PRO 44 1HG PRO 44 0.602 -18.297 10.166
345 HD2 PRO 44 2HD PRO 44 0.243 -15.760 9.186
346 HD3 PRO 44 1HD PRO 44 0.466 -16.145 10.907
347 H GLU 45 H GLU 45 5.341 -15.187 8.833
348 HA GLU 45 HA GLU 45 4.678 -15.436 5.955
349 HB2 GLU 45 2HB GLU 45 5.917 -13.559 7.686
350 HB3 GLU 45 1HB GLU 45 7.164 -14.102 6.563
351 HG2 GLU 45 2HG GLU 45 4.417 -13.287 5.609
352 HG3 GLU 45 1HG GLU 45 5.717 -12.112 5.811
353 H ARG 46 H ARG 46 5.395 -17.918 7.151
354 HA ARG 46 HA ARG 46 6.992 -19.672 7.011
355 HB2 ARG 46 2HB ARG 46 7.497 -18.199 4.404
356 HB3 ARG 46 1HB ARG 46 7.731 -19.923 4.703
357 HG2 ARG 46 2HG ARG 46 5.050 -18.544 4.986
358 HG3 ARG 46 1HG ARG 46 5.577 -19.342 3.504
359 HD2 ARG 46 2HD ARG 46 5.964 -21.440 4.887
360 HD3 ARG 46 1HD ARG 46 5.134 -20.614 6.221
361 HE ARG 46 HE ARG 46 3.866 -21.079 3.546
362 HH11 ARG 46 1HH1 ARG 46 3.306 -19.448 6.372
363 HH12 ARG 46 2HH1 ARG 46 1.820 -20.245 6.770
364 HH21 ARG 46 1HH2 ARG 46 2.147 -22.661 4.304
365 HH22 ARG 46 2HH2 ARG 46 1.164 -22.065 5.600
366 H GLN 47 H GLN 47 8.267 -18.375 8.757
367 HA GLN 47 HA GLN 47 10.762 -17.149 7.685
368 HB2 GLN 47 2HB GLN 47 11.025 -16.547 10.132
369 HB3 GLN 47 1HB GLN 47 9.563 -15.908 9.382
370 HG2 GLN 47 2HG GLN 47 8.184 -17.517 10.427
371 HG3 GLN 47 1HG GLN 47 9.548 -18.568 10.805
372 HE21 GLN 47 1HE2 GLN 47 11.322 -17.204 12.208
373 HE22 GLN 47 2HE2 GLN 47 10.652 -16.373 13.528
374 H ALA 48 H ALA 48 11.463 -19.407 6.965
375 HA ALA 48 HA ALA 48 12.139 -21.338 9.073
376 HB1 ALA 48 3HB ALA 48 13.321 -22.311 6.902
377 HB2 ALA 48 1HB ALA 48 12.336 -21.094 6.092
378 HB3 ALA 48 2HB ALA 48 11.565 -22.352 7.058
379 H GLY 49 H GLY 49 13.708 -20.318 10.413
380 HA2 GLY 49 2HA GLY 49 16.261 -20.544 10.480
381 HA3 GLY 49 1HA GLY 49 16.244 -19.514 9.047
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 11.693 0.137 -14.802
2 H2 ALA 1 2HT ALA 1 11.019 -1.342 -15.295
3 H3 ALA 1 3HT ALA 1 11.520 -1.128 -13.685
4 HA ALA 1 HA ALA 1 9.346 0.462 -14.945
5 HB1 ALA 1 3HB ALA 1 9.294 -2.212 -14.596
6 HB2 ALA 1 1HB ALA 1 7.871 -1.204 -14.337
7 HB3 ALA 1 2HB ALA 1 8.854 -1.711 -12.963
8 H GLN 2 H GLN 2 11.687 1.138 -13.143
9 HA GLN 2 HA GLN 2 12.055 2.323 -11.131
10 HB2 GLN 2 2HB GLN 2 9.622 3.120 -12.404
11 HB3 GLN 2 1HB GLN 2 9.355 3.161 -10.660
12 HG2 GLN 2 2HG GLN 2 10.682 4.969 -10.409
13 HG3 GLN 2 1HG GLN 2 11.963 4.247 -11.381
14 HE21 GLN 2 1HE2 GLN 2 8.822 5.966 -11.707
15 HE22 GLN 2 2HE2 GLN 2 9.179 6.646 -13.220
16 H GLN 3 H GLN 3 12.150 -0.112 -10.329
17 HA GLN 3 HA GLN 3 9.918 -0.854 -8.532
18 HB2 GLN 3 2HB GLN 3 11.913 -2.145 -10.060
19 HB3 GLN 3 1HB GLN 3 12.314 -2.477 -8.375
20 HG2 GLN 3 2HG GLN 3 9.497 -2.746 -8.619
21 HG3 GLN 3 1HG GLN 3 10.217 -3.621 -9.971
22 HE21 GLN 3 1HE2 GLN 3 9.344 -3.982 -6.740
23 HE22 GLN 3 2HE2 GLN 3 10.361 -5.281 -6.339
24 H ARG 4 H ARG 4 10.120 -0.903 -6.256
25 HA ARG 4 HA ARG 4 10.934 -0.253 -4.137
26 HB2 ARG 4 2HB ARG 4 12.619 -1.912 -4.635
27 HB3 ARG 4 1HB ARG 4 13.482 -0.794 -5.691
28 HG2 ARG 4 2HG ARG 4 14.636 -0.881 -3.557
29 HG3 ARG 4 1HG ARG 4 13.862 0.697 -3.710
30 HD2 ARG 4 2HD ARG 4 11.880 -0.295 -2.426
31 HD3 ARG 4 1HD ARG 4 12.943 -1.666 -2.051
32 HE ARG 4 HE ARG 4 13.122 0.920 -0.823
33 HH11 ARG 4 1HH2 ARG 4 14.626 -2.051 -1.121
34 HH12 ARG 4 2HH2 ARG 4 16.206 -1.500 -0.673
35 HH21 ARG 4 1HH1 ARG 4 15.344 1.856 -0.737
36 HH22 ARG 4 2HH1 ARG 4 16.612 0.710 -0.456
37 H LYS 5 H LYS 5 11.546 1.679 -3.067
38 HA LYS 5 HA LYS 5 13.186 3.759 -4.041
39 HB2 LYS 5 2HB LYS 5 10.759 3.401 -5.508
40 HB3 LYS 5 1HB LYS 5 10.634 4.924 -4.627
41 HG2 LYS 5 2HG LYS 5 12.862 5.592 -5.517
42 HG3 LYS 5 1HG LYS 5 12.905 4.102 -6.463
43 HD2 LYS 5 2HD LYS 5 12.089 5.776 -7.952
44 HD3 LYS 5 1HD LYS 5 10.671 4.849 -7.464
45 HE2 LYS 5 2HE LYS 5 10.869 6.814 -5.495
46 HE3 LYS 5 1HE LYS 5 11.262 7.670 -7.000
47 HZ1 LYS 5 3HZ LYS 5 8.910 5.918 -6.520
48 HZ2 LYS 5 1HZ LYS 5 9.325 6.573 -8.029
49 HZ3 LYS 5 2HZ LYS 5 8.886 7.602 -6.750
50 H VAL 6 H VAL 6 13.525 4.043 -1.780
51 HA VAL 6 HA VAL 6 13.119 4.996 0.339
52 HB VAL 6 HB VAL 6 10.826 6.254 -1.202
53 HG11 VAL 6 1HG1 VAL 6 10.355 6.993 0.905
54 HG12 VAL 6 2HG1 VAL 6 11.692 8.103 0.599
55 HG13 VAL 6 3HG1 VAL 6 11.970 6.615 1.503
56 HG21 VAL 6 3HG2 VAL 6 13.409 7.657 -0.695
57 HG22 VAL 6 1HG2 VAL 6 12.309 7.792 -2.067
58 HG23 VAL 6 2HG2 VAL 6 13.402 6.413 -1.946
59 H ILE 7 H ILE 7 11.804 4.625 2.182
60 HA ILE 7 HA ILE 7 10.523 2.312 2.605
61 HB ILE 7 HB ILE 7 10.919 4.665 3.935
62 HG12 ILE 7 2HG1 ILE 7 10.882 2.280 4.779
63 HG13 ILE 7 1HG1 ILE 7 10.210 3.470 5.894
64 HG21 ILE 7 1HG2 ILE 7 8.913 5.613 4.694
65 HG22 ILE 7 2HG2 ILE 7 7.952 4.229 4.181
66 HG23 ILE 7 3HG2 ILE 7 8.595 5.345 2.980
67 HD11 ILE 7 3HD1 ILE 7 8.916 1.194 5.245
68 HD12 ILE 7 1HD1 ILE 7 8.306 2.247 3.969
69 HD13 ILE 7 2HD1 ILE 7 8.070 2.686 5.660
70 H ARG 8 H ARG 8 8.514 1.364 2.271
71 HA ARG 8 HA ARG 8 6.627 2.816 0.449
72 HB2 ARG 8 2HB ARG 8 6.055 0.632 -0.352
73 HB3 ARG 8 1HB ARG 8 7.811 0.638 -0.191
74 HG2 ARG 8 2HG ARG 8 7.472 -0.330 2.146
75 HG3 ARG 8 1HG ARG 8 5.786 -0.586 1.694
76 HD2 ARG 8 2HD ARG 8 6.316 -2.217 0.108
77 HD3 ARG 8 1HD ARG 8 7.961 -1.593 -0.126
78 HE ARG 8 HE ARG 8 7.245 -3.552 1.825
79 HH11 ARG 8 1HH2 ARG 8 9.610 -1.346 0.890
80 HH12 ARG 8 2HH2 ARG 8 10.460 -1.352 2.399
81 HH21 ARG 8 1HH1 ARG 8 8.071 -3.259 4.039
82 HH22 ARG 8 2HH1 ARG 8 9.590 -2.440 4.181
83 H CYS 9 H CYS 9 4.571 3.231 1.206
84 HA CYS 9 HA CYS 9 3.910 2.951 3.980
85 HB2 CYS 9 2HB CYS 9 1.789 3.885 3.247
86 HB3 CYS 9 1HB CYS 9 3.080 4.639 2.306
87 H TRP 10 H TRP 10 2.229 1.621 4.929
88 HA TRP 10 HA TRP 10 2.128 -1.137 3.908
89 HB2 TRP 10 2HB TRP 10 1.234 0.419 6.300
90 HB3 TRP 10 1HB TRP 10 0.510 -1.156 6.003
91 HD1 TRP 10 HD TRP 10 3.472 -2.209 4.740
92 HE1 TRP 10 1HE TRP 10 5.192 -2.961 6.518
93 HE3 TRP 10 3HE TRP 10 1.505 0.067 8.810
94 HZ2 TRP 10 2HZ TRP 10 5.660 -2.611 9.342
95 HZ3 TRP 10 3HZ TRP 10 2.584 -0.137 11.045
96 HH2 TRP 10 HH TRP 10 4.655 -1.476 11.311
97 H ASN 11 H ASN 11 -0.475 0.734 5.322
98 HA ASN 11 HA ASN 11 -2.712 -0.373 4.357
99 HB2 ASN 11 2HB ASN 11 -3.740 1.778 4.637
100 HB3 ASN 11 1HB ASN 11 -2.369 1.729 5.746
101 HD21 ASN 11 1HD2 ASN 11 -3.438 2.979 2.595
102 HD22 ASN 11 2HD2 ASN 11 -2.295 4.224 2.509
103 H CYS 12 H CYS 12 -0.752 1.932 2.420
104 HA CYS 12 HA CYS 12 -2.460 1.328 0.064
105 HB2 CYS 12 2HB CYS 12 -1.541 3.315 -0.844
106 HB3 CYS 12 1HB CYS 12 -1.738 3.656 0.870
107 H GLY 13 H GLY 13 0.523 0.404 1.480
108 HA2 GLY 13 2HA GLY 13 2.348 -0.846 0.672
109 HA3 GLY 13 1HA GLY 13 1.121 -1.654 -0.301
110 H LYS 14 H LYS 14 3.282 1.181 -0.277
111 HA LYS 14 HA LYS 14 4.016 0.779 -3.037
112 HB2 LYS 14 2HB LYS 14 1.519 1.855 -2.705
113 HB3 LYS 14 1HB LYS 14 2.507 3.311 -2.823
114 HG2 LYS 14 2HG LYS 14 2.561 1.015 -4.804
115 HG3 LYS 14 1HG LYS 14 1.721 2.546 -5.053
116 HD2 LYS 14 2HD LYS 14 3.656 3.706 -5.421
117 HD3 LYS 14 1HD LYS 14 4.575 2.742 -4.269
118 HE2 LYS 14 2HE LYS 14 3.751 1.060 -6.471
119 HE3 LYS 14 1HE LYS 14 4.596 2.489 -7.094
120 HZ1 LYS 14 3HZ LYS 14 6.511 1.764 -6.255
121 HZ2 LYS 14 1HZ LYS 14 5.752 0.294 -5.890
122 HZ3 LYS 14 2HZ LYS 14 5.832 1.521 -4.718
123 H GLU 15 H GLU 15 6.095 1.432 -2.871
124 HA GLU 15 HA GLU 15 7.537 2.864 -1.108
125 HB2 GLU 15 2HB GLU 15 9.009 3.349 -2.941
126 HB3 GLU 15 1HB GLU 15 8.165 1.865 -3.367
127 HG2 GLU 15 2HG GLU 15 7.852 3.040 -5.326
128 HG3 GLU 15 1HG GLU 15 6.435 3.595 -4.435
129 H GLY 16 H GLY 16 7.755 5.018 -0.415
130 HA2 GLY 16 2HA GLY 16 7.350 7.404 -1.614
131 HA3 GLY 16 1HA GLY 16 5.682 6.907 -1.334
132 H HIS 17 H HIS 17 5.773 5.751 1.152
133 HA HIS 17 HA HIS 17 7.228 7.491 3.031
134 HB2 HIS 17 2HB HIS 17 4.967 8.245 4.001
135 HB3 HIS 17 1HB HIS 17 5.439 8.974 2.466
136 HD1 HIS 17 1HD HIS 17 4.458 7.622 0.271
137 HD2 HIS 17 2HD HIS 17 2.485 7.031 3.896
138 HE1 HIS 17 1HE HIS 17 2.183 6.666 -0.299
139 H SER 18 H SER 18 5.692 7.018 5.307
140 HA SER 18 HA SER 18 6.017 4.072 5.604
141 HB2 SER 18 2HB SER 18 5.477 5.099 8.083
142 HB3 SER 18 1HB SER 18 7.096 5.001 7.387
143 HG SER 18 HG SER 18 7.108 7.094 7.256
144 H ALA 19 H ALA 19 4.335 3.243 7.403
145 HA ALA 19 HA ALA 19 1.686 3.447 6.170
146 HB1 ALA 19 3HB ALA 19 1.177 1.661 7.743
147 HB2 ALA 19 1HB ALA 19 2.611 2.040 8.696
148 HB3 ALA 19 2HB ALA 19 2.780 1.364 7.075
149 H ARG 20 H ARG 20 3.361 5.089 8.668
150 HA ARG 20 HA ARG 20 1.135 5.699 10.418
151 HB2 ARG 20 2HB ARG 20 3.450 5.806 11.144
152 HB3 ARG 20 1HB ARG 20 3.832 6.978 9.882
153 HG2 ARG 20 2HG ARG 20 2.113 8.517 10.936
154 HG3 ARG 20 1HG ARG 20 2.044 7.387 12.290
155 HD2 ARG 20 2HD ARG 20 4.735 7.698 12.101
156 HD3 ARG 20 1HD ARG 20 4.197 9.293 11.538
157 HE ARG 20 HE ARG 20 2.659 9.179 13.661
158 HH11 ARG 20 1HH1 ARG 20 5.891 9.537 13.583
159 HH12 ARG 20 2HH1 ARG 20 6.231 8.878 15.148
160 HH21 ARG 20 1HH2 ARG 20 3.048 7.573 15.584
161 HH22 ARG 20 2HH2 ARG 20 4.622 7.771 16.282
162 H GLN 21 H GLN 21 2.406 7.118 7.457
163 HA GLN 21 HA GLN 21 0.811 9.583 7.754
164 HB2 GLN 21 2HB GLN 21 3.176 8.925 6.562
165 HB3 GLN 21 1HB GLN 21 2.084 8.870 5.179
166 HG2 GLN 21 2HG GLN 21 2.749 11.124 5.225
167 HG3 GLN 21 1HG GLN 21 1.204 11.152 6.076
168 HE21 GLN 21 1HE2 GLN 21 4.502 10.177 7.175
169 HE22 GLN 21 2HE2 GLN 21 4.531 11.244 8.504
170 H CYS 22 H CYS 22 0.971 6.913 5.371
171 HA CYS 22 HA CYS 22 -1.584 7.647 4.148
172 HB2 CYS 22 2HB CYS 22 0.608 5.675 3.832
173 HB3 CYS 22 1HB CYS 22 -0.969 5.168 3.240
174 H ARG 23 H ARG 23 -3.490 6.586 4.285
175 HA ARG 23 HA ARG 23 -3.837 4.375 6.225
176 HB2 ARG 23 2HB ARG 23 -4.090 6.244 7.651
177 HB3 ARG 23 1HB ARG 23 -4.833 7.219 6.385
178 HG2 ARG 23 2HG ARG 23 -6.403 6.388 8.187
179 HG3 ARG 23 1HG ARG 23 -6.885 6.015 6.536
180 HD2 ARG 23 2HD ARG 23 -6.935 3.814 7.086
181 HD3 ARG 23 1HD ARG 23 -5.196 3.888 7.443
182 HE ARG 23 HE ARG 23 -7.363 4.091 9.417
183 HH11 ARG 23 1HH2 ARG 23 -4.952 2.536 10.029
184 HH12 ARG 23 2HH2 ARG 23 -4.037 3.602 11.041
185 HH21 ARG 23 1HH1 ARG 23 -5.805 6.433 10.116
186 HH22 ARG 23 2HH1 ARG 23 -4.517 5.804 11.088
187 H ALA 24 H ALA 24 -4.065 5.065 3.249
188 HA ALA 24 HA ALA 24 -6.469 5.361 2.051
189 HB1 ALA 24 3HB ALA 24 -4.125 4.283 1.330
190 HB2 ALA 24 1HB ALA 24 -5.568 4.104 0.332
191 HB3 ALA 24 2HB ALA 24 -5.073 2.798 1.408
192 HA PRO 25 HA PRO 25 -9.560 2.681 3.576
193 HB2 PRO 25 2HB PRO 25 -10.879 1.983 1.271
194 HB3 PRO 25 1HB PRO 25 -11.016 3.577 2.040
195 HG2 PRO 25 2HG PRO 25 -9.320 2.731 -0.266
196 HG3 PRO 25 1HG PRO 25 -10.273 4.208 -0.051
197 HD2 PRO 25 2HD PRO 25 -7.607 4.174 0.310
198 HD3 PRO 25 1HD PRO 25 -8.675 5.207 1.287
199 H ARG 26 H ARG 26 -8.797 1.112 0.457
200 HA ARG 26 HA ARG 26 -9.209 -1.496 1.014
201 HB2 ARG 26 2HB ARG 26 -7.244 -1.942 -0.516
202 HB3 ARG 26 1HB ARG 26 -8.377 -0.731 -1.120
203 HG2 ARG 26 2HG ARG 26 -6.431 0.450 -1.425
204 HG3 ARG 26 1HG ARG 26 -6.736 0.896 0.251
205 HD2 ARG 26 2HD ARG 26 -4.504 0.168 0.367
206 HD3 ARG 26 1HD ARG 26 -5.363 -1.336 0.753
207 HE ARG 26 HE ARG 26 -4.849 -2.169 -1.408
208 HH11 ARG 26 1HH2 ARG 26 -2.446 -0.246 -0.926
209 HH12 ARG 26 2HH2 ARG 26 -2.336 0.491 -2.489
210 HH21 ARG 26 1HH1 ARG 26 -5.458 -0.626 -3.513
211 HH22 ARG 26 2HH1 ARG 26 -4.047 0.274 -3.959
212 H ARG 27 H ARG 27 -6.257 0.256 1.905
213 HA ARG 27 HA ARG 27 -4.506 -0.303 3.363
214 HB2 ARG 27 2HB ARG 27 -7.120 -0.661 4.566
215 HB3 ARG 27 1HB ARG 27 -5.895 -1.663 5.357
216 HG2 ARG 27 2HG ARG 27 -4.408 0.295 5.499
217 HG3 ARG 27 1HG ARG 27 -5.670 1.290 4.781
218 HD2 ARG 27 2HD ARG 27 -5.673 1.481 7.276
219 HD3 ARG 27 1HD ARG 27 -7.177 0.738 6.693
220 HE ARG 27 HE ARG 27 -5.150 -1.269 7.135
221 HH11 ARG 27 1HH1 ARG 27 -6.875 1.029 8.992
222 HH12 ARG 27 2HH1 ARG 27 -7.318 -0.094 10.234
223 HH21 ARG 27 1HH2 ARG 27 -5.960 -2.838 8.607
224 HH22 ARG 27 2HH2 ARG 27 -6.800 -2.283 10.016
225 H GLN 28 H GLN 28 -3.568 -2.192 4.724
226 HA GLN 28 HA GLN 28 -3.554 -4.613 2.990
227 HB2 GLN 28 2HB GLN 28 -1.675 -3.089 4.623
228 HB3 GLN 28 1HB GLN 28 -1.618 -4.807 5.017
229 HG2 GLN 28 2HG GLN 28 -0.057 -4.136 3.156
230 HG3 GLN 28 1HG GLN 28 -1.208 -5.395 2.711
231 HE21 GLN 28 1HE2 GLN 28 -2.150 -1.985 3.054
232 HE22 GLN 28 2HE2 GLN 28 -2.462 -1.730 1.397
233 H GLY 29 H GLY 29 -5.012 -6.152 3.670
234 HA2 GLY 29 2HA GLY 29 -6.408 -6.425 6.018
235 HA3 GLY 29 1HA GLY 29 -5.820 -7.843 5.144
236 H CYS 30 H CYS 30 -3.159 -7.813 5.470
237 HA CYS 30 HA CYS 30 -2.819 -8.262 8.377
238 HB2 CYS 30 2HB CYS 30 -1.750 -9.214 5.861
239 HB3 CYS 30 1HB CYS 30 -0.451 -8.755 6.958
240 H TRP 31 H TRP 31 -2.230 -6.448 9.504
241 HA TRP 31 HA TRP 31 -0.434 -4.464 8.160
242 HB2 TRP 31 2HB TRP 31 -2.886 -4.282 9.453
243 HB3 TRP 31 1HB TRP 31 -1.737 -3.734 10.674
244 HD1 TRP 31 HD TRP 31 -2.574 -3.082 6.970
245 HE1 TRP 31 1HE TRP 31 -2.062 -0.597 6.467
246 HE3 TRP 31 3HE TRP 31 -0.604 -1.703 11.441
247 HZ2 TRP 31 2HZ TRP 31 -0.944 1.679 7.814
248 HZ3 TRP 31 3HZ TRP 31 0.184 0.623 11.826
249 HH2 TRP 31 HH TRP 31 0.020 2.311 10.015
250 H LYS 32 H LYS 32 -0.083 -7.055 10.099
251 HA LYS 32 HA LYS 32 2.303 -5.900 11.400
252 HB2 LYS 32 2HB LYS 32 0.479 -5.336 12.915
253 HB3 LYS 32 1HB LYS 32 -0.096 -7.002 12.892
254 HG2 LYS 32 2HG LYS 32 1.317 -6.320 14.915
255 HG3 LYS 32 1HG LYS 32 1.818 -7.786 14.075
256 HD2 LYS 32 2HD LYS 32 3.745 -6.836 13.287
257 HD3 LYS 32 1HD LYS 32 2.996 -5.251 13.078
258 HE2 LYS 32 2HE LYS 32 4.415 -4.845 14.899
259 HE3 LYS 32 1HE LYS 32 2.917 -5.296 15.732
260 HZ1 LYS 32 3HZ LYS 32 5.358 -6.606 15.869
261 HZ2 LYS 32 1HZ LYS 32 4.347 -7.616 14.956
262 HZ3 LYS 32 2HZ LYS 32 3.875 -7.127 16.512
263 H CYS 33 H CYS 33 1.129 -8.375 9.632
264 HA CYS 33 HA CYS 33 3.136 -10.254 10.724
265 HB2 CYS 33 2HB CYS 33 1.303 -12.018 11.000
266 HB3 CYS 33 1HB CYS 33 1.336 -10.730 12.203
267 H GLY 34 H GLY 34 0.538 -9.746 8.295
268 HA2 GLY 34 2HA GLY 34 2.171 -11.485 6.500
269 HA3 GLY 34 1HA GLY 34 0.450 -11.795 6.668
270 H LYS 35 H LYS 35 -0.282 -11.314 4.674
271 HA LYS 35 HA LYS 35 0.513 -8.729 3.405
272 HB2 LYS 35 2HB LYS 35 -0.754 -11.285 2.381
273 HB3 LYS 35 1HB LYS 35 -0.429 -9.875 1.373
274 HG2 LYS 35 2HG LYS 35 1.746 -11.152 3.029
275 HG3 LYS 35 1HG LYS 35 1.360 -11.736 1.409
276 HD2 LYS 35 2HD LYS 35 1.517 -8.885 1.301
277 HD3 LYS 35 1HD LYS 35 2.956 -9.479 2.132
278 HE2 LYS 35 2HE LYS 35 3.767 -10.518 0.254
279 HE3 LYS 35 1HE LYS 35 2.149 -10.992 -0.302
280 HZ1 LYS 35 3HZ LYS 35 3.039 -9.231 -1.697
281 HZ2 LYS 35 1HZ LYS 35 3.265 -8.237 -0.341
282 HZ3 LYS 35 2HZ LYS 35 1.695 -8.668 -0.823
283 H THR 36 H THR 36 -2.432 -10.376 2.481
284 HA THR 36 HA THR 36 -4.083 -8.338 3.904
285 HB THR 36 HB THR 36 -3.512 -7.346 1.783
286 HG1 THR 36 1HG THR 36 -5.513 -6.841 1.499
287 HG21 THR 36 3HG2 THR 36 -2.869 -9.634 0.807
288 HG22 THR 36 1HG2 THR 36 -3.621 -8.482 -0.295
289 HG23 THR 36 2HG2 THR 36 -4.573 -9.800 0.385
290 H GLY 37 H GLY 37 -4.096 -11.213 1.791
291 HA2 GLY 37 2HA GLY 37 -6.711 -12.026 1.776
292 HA3 GLY 37 1HA GLY 37 -5.406 -13.184 2.037
293 H HIS 38 H HIS 38 -4.717 -13.526 4.301
294 HA HIS 38 HA HIS 38 -6.993 -13.719 6.113
295 HB2 HIS 38 2HB HIS 38 -5.474 -15.010 7.406
296 HB3 HIS 38 1HB HIS 38 -4.979 -15.302 5.738
297 HD1 HIS 38 1HD HIS 38 -2.484 -15.128 5.504
298 HD2 HIS 38 2HD HIS 38 -4.026 -12.489 8.312
299 HE1 HIS 38 1HE HIS 38 -0.508 -13.795 6.370
300 H VAL 39 H VAL 39 -7.158 -12.591 8.177
301 HA VAL 39 HA VAL 39 -5.774 -9.935 8.106
302 HB VAL 39 HB VAL 39 -7.729 -9.217 9.446
303 HG11 VAL 39 1HG1 VAL 39 -7.763 -9.306 6.917
304 HG12 VAL 39 2HG1 VAL 39 -9.353 -9.379 7.676
305 HG13 VAL 39 3HG1 VAL 39 -8.604 -10.850 7.051
306 HG21 VAL 39 3HG2 VAL 39 -7.923 -11.662 10.397
307 HG22 VAL 39 1HG2 VAL 39 -8.947 -11.928 8.986
308 HG23 VAL 39 2HG2 VAL 39 -9.385 -10.699 10.174
309 H MET 40 H MET 40 -5.696 -8.973 10.474
310 HA MET 40 HA MET 40 -3.786 -10.425 11.998
311 HB2 MET 40 2HB MET 40 -5.551 -8.036 12.336
312 HB3 MET 40 1HB MET 40 -4.743 -8.667 13.772
313 HG2 MET 40 2HG MET 40 -2.800 -8.648 11.716
314 HG3 MET 40 1HG MET 40 -3.633 -7.096 11.625
315 HE1 MET 40 3HE MET 40 -3.032 -9.223 15.149
316 HE2 MET 40 1HE MET 40 -1.286 -8.985 15.005
317 HE3 MET 40 2HE MET 40 -2.186 -9.744 13.694
318 H ALA 41 H ALA 41 -7.256 -10.545 11.950
319 HA ALA 41 HA ALA 41 -7.764 -11.613 14.568
320 HB1 ALA 41 3HB ALA 41 -9.826 -12.490 13.282
321 HB2 ALA 41 1HB ALA 41 -9.111 -11.720 11.867
322 HB3 ALA 41 2HB ALA 41 -9.562 -10.745 13.264
323 H LYS 42 H LYS 42 -6.084 -12.944 11.939
324 HA LYS 42 HA LYS 42 -6.168 -15.631 13.177
325 HB2 LYS 42 2HB LYS 42 -7.731 -14.682 10.912
326 HB3 LYS 42 1HB LYS 42 -6.740 -16.086 10.473
327 HG2 LYS 42 2HG LYS 42 -7.863 -16.562 13.059
328 HG3 LYS 42 1HG LYS 42 -9.162 -16.032 11.991
329 HD2 LYS 42 2HD LYS 42 -7.294 -17.959 10.768
330 HD3 LYS 42 1HD LYS 42 -8.228 -18.604 12.119
331 HE2 LYS 42 2HE LYS 42 -10.324 -17.870 11.046
332 HE3 LYS 42 1HE LYS 42 -9.397 -17.192 9.693
333 HZ1 LYS 42 3HZ LYS 42 -9.438 -20.029 10.576
334 HZ2 LYS 42 1HZ LYS 42 -8.379 -19.413 9.403
335 HZ3 LYS 42 2HZ LYS 42 -10.054 -19.411 9.117
336 H CYS 43 H CYS 43 -4.268 -13.298 12.022
337 HA CYS 43 HA CYS 43 -2.588 -14.955 10.246
338 HB2 CYS 43 2HB CYS 43 -1.587 -12.950 9.632
339 HB3 CYS 43 1HB CYS 43 -3.233 -12.442 9.986
340 HA PRO 44 HA PRO 44 0.239 -14.282 13.983
341 HB2 PRO 44 2HB PRO 44 -0.929 -14.033 16.439
342 HB3 PRO 44 1HB PRO 44 -0.543 -12.639 15.412
343 HG2 PRO 44 2HG PRO 44 -3.148 -13.899 15.974
344 HG3 PRO 44 1HG PRO 44 -2.764 -12.225 15.558
345 HD2 PRO 44 2HD PRO 44 -3.802 -14.173 13.834
346 HD3 PRO 44 1HD PRO 44 -3.125 -12.603 13.368
347 H GLU 45 H GLU 45 -2.230 -15.496 16.148
348 HA GLU 45 HA GLU 45 -1.725 -18.316 15.426
349 HB2 GLU 45 2HB GLU 45 -1.155 -17.693 18.267
350 HB3 GLU 45 1HB GLU 45 -0.310 -18.784 17.174
351 HG2 GLU 45 2HG GLU 45 0.819 -16.875 16.105
352 HG3 GLU 45 1HG GLU 45 -0.068 -15.752 17.136
353 H ARG 46 H ARG 46 -3.765 -19.163 15.562
354 HA ARG 46 HA ARG 46 -6.102 -18.209 16.448
355 HB2 ARG 46 2HB ARG 46 -4.869 -20.819 16.163
356 HB3 ARG 46 1HB ARG 46 -6.111 -20.843 17.415
357 HG2 ARG 46 2HG ARG 46 -7.710 -20.852 15.836
358 HG3 ARG 46 1HG ARG 46 -7.111 -19.312 15.218
359 HD2 ARG 46 2HD ARG 46 -5.242 -20.932 14.146
360 HD3 ARG 46 1HD ARG 46 -6.600 -22.073 14.216
361 HE ARG 46 HE ARG 46 -7.948 -20.241 13.048
362 HH11 ARG 46 1HH1 ARG 46 -5.814 -18.152 13.088
363 HH12 ARG 46 2HH1 ARG 46 -5.129 -18.293 11.503
364 HH21 ARG 46 1HH2 ARG 46 -6.512 -21.415 10.895
365 HH22 ARG 46 2HH2 ARG 46 -5.524 -20.142 10.263
366 H GLN 47 H GLN 47 -5.981 -16.807 18.289
367 HA GLN 47 HA GLN 47 -5.158 -18.036 20.883
368 HB2 GLN 47 2HB GLN 47 -5.379 -15.293 19.707
369 HB3 GLN 47 1HB GLN 47 -5.533 -15.455 21.456
370 HG2 GLN 47 2HG GLN 47 -3.314 -17.024 20.360
371 HG3 GLN 47 1HG GLN 47 -3.141 -15.292 20.069
372 HE21 GLN 47 1HE2 GLN 47 -2.287 -14.109 21.788
373 HE22 GLN 47 2HE2 GLN 47 -2.256 -14.627 23.404
374 H ALA 48 H ALA 48 -7.405 -19.248 20.511
375 HA ALA 48 HA ALA 48 -9.719 -17.558 21.306
376 HB1 ALA 48 3HB ALA 48 -10.944 -19.190 20.267
377 HB2 ALA 48 1HB ALA 48 -9.978 -20.491 20.965
378 HB3 ALA 48 2HB ALA 48 -9.392 -19.620 19.547
379 H GLY 49 H GLY 49 -7.292 -19.391 22.791
380 HA2 GLY 49 2HA GLY 49 -8.351 -19.097 25.415
381 HA3 GLY 49 1HA GLY 49 -8.703 -20.738 24.869
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 5.233 -2.487 -6.635
2 H2 ALA 1 2HT ALA 1 6.078 -1.076 -7.063
3 H3 ALA 1 3HT ALA 1 6.759 -2.603 -7.364
4 HA ALA 1 HA ALA 1 4.537 -2.905 -8.753
5 HB1 ALA 1 3HB ALA 1 3.418 -0.951 -8.908
6 HB2 ALA 1 1HB ALA 1 4.843 -0.189 -9.615
7 HB3 ALA 1 2HB ALA 1 4.621 -0.191 -7.865
8 H GLN 2 H GLN 2 7.196 -3.704 -8.898
9 HA GLN 2 HA GLN 2 9.072 -3.846 -10.357
10 HB2 GLN 2 2HB GLN 2 6.509 -3.716 -11.837
11 HB3 GLN 2 1HB GLN 2 7.955 -3.467 -12.818
12 HG2 GLN 2 2HG GLN 2 8.465 -5.657 -12.722
13 HG3 GLN 2 1HG GLN 2 8.367 -5.647 -10.960
14 HE21 GLN 2 1HE2 GLN 2 7.390 -7.935 -12.033
15 HE22 GLN 2 2HE2 GLN 2 5.693 -7.949 -12.056
16 H GLN 3 H GLN 3 9.235 -1.399 -9.223
17 HA GLN 3 HA GLN 3 10.383 0.269 -11.336
18 HB2 GLN 3 2HB GLN 3 7.643 0.478 -10.781
19 HB3 GLN 3 1HB GLN 3 8.371 1.834 -9.918
20 HG2 GLN 3 2HG GLN 3 9.645 1.690 -12.452
21 HG3 GLN 3 1HG GLN 3 7.909 1.556 -12.739
22 HE21 GLN 3 1HE2 GLN 3 9.802 3.903 -13.196
23 HE22 GLN 3 2HE2 GLN 3 9.095 5.193 -12.351
24 H ARG 4 H ARG 4 10.936 2.524 -10.212
25 HA ARG 4 HA ARG 4 12.824 2.246 -8.228
26 HB2 ARG 4 2HB ARG 4 10.939 4.381 -9.101
27 HB3 ARG 4 1HB ARG 4 11.767 4.656 -7.568
28 HG2 ARG 4 2HG ARG 4 13.230 3.836 -10.087
29 HG3 ARG 4 1HG ARG 4 12.975 5.523 -9.638
30 HD2 ARG 4 2HD ARG 4 13.941 4.481 -7.284
31 HD3 ARG 4 1HD ARG 4 14.850 3.555 -8.494
32 HE ARG 4 HE ARG 4 14.676 6.409 -9.105
33 HH11 ARG 4 1HH1 ARG 4 16.063 4.728 -6.564
34 HH12 ARG 4 2HH1 ARG 4 17.694 5.206 -6.899
35 HH21 ARG 4 1HH2 ARG 4 16.907 6.685 -9.941
36 HH22 ARG 4 2HH2 ARG 4 18.173 6.319 -8.816
37 H LYS 5 H LYS 5 12.732 2.607 -5.835
38 HA LYS 5 HA LYS 5 10.050 2.216 -4.613
39 HB2 LYS 5 2HB LYS 5 11.031 0.255 -3.330
40 HB3 LYS 5 1HB LYS 5 10.789 -0.025 -5.054
41 HG2 LYS 5 2HG LYS 5 13.312 0.989 -5.079
42 HG3 LYS 5 1HG LYS 5 13.308 0.181 -3.512
43 HD2 LYS 5 2HD LYS 5 13.855 -1.651 -4.764
44 HD3 LYS 5 1HD LYS 5 12.113 -1.725 -5.023
45 HE2 LYS 5 2HE LYS 5 12.306 -0.546 -7.134
46 HE3 LYS 5 1HE LYS 5 14.029 -0.234 -6.850
47 HZ1 LYS 5 3HZ LYS 5 14.018 -2.826 -6.473
48 HZ2 LYS 5 1HZ LYS 5 14.196 -2.164 -8.025
49 HZ3 LYS 5 2HZ LYS 5 12.681 -2.747 -7.519
50 H VAL 6 H VAL 6 10.615 4.439 -3.844
51 HA VAL 6 HA VAL 6 12.766 4.596 -1.792
52 HB VAL 6 HB VAL 6 10.798 6.790 -2.382
53 HG11 VAL 6 1HG1 VAL 6 13.138 7.998 -2.388
54 HG12 VAL 6 2HG1 VAL 6 13.694 6.505 -1.630
55 HG13 VAL 6 3HG1 VAL 6 12.432 7.466 -0.861
56 HG21 VAL 6 3HG2 VAL 6 11.158 6.458 -4.629
57 HG22 VAL 6 1HG2 VAL 6 12.634 5.528 -4.363
58 HG23 VAL 6 2HG2 VAL 6 12.674 7.290 -4.282
59 H ILE 7 H ILE 7 12.206 5.106 0.432
60 HA ILE 7 HA ILE 7 10.785 4.064 2.212
61 HB ILE 7 HB ILE 7 10.226 6.903 1.348
62 HG12 ILE 7 2HG1 ILE 7 12.473 6.052 2.303
63 HG13 ILE 7 1HG1 ILE 7 11.760 7.470 3.070
64 HG21 ILE 7 1HG2 ILE 7 8.275 6.595 2.559
65 HG22 ILE 7 2HG2 ILE 7 9.382 7.003 3.866
66 HG23 ILE 7 3HG2 ILE 7 8.967 5.318 3.556
67 HD11 ILE 7 3HD1 ILE 7 10.966 6.204 4.921
68 HD12 ILE 7 1HD1 ILE 7 12.606 5.618 4.640
69 HD13 ILE 7 2HD1 ILE 7 11.224 4.674 4.083
70 H ARG 8 H ARG 8 9.600 2.500 0.650
71 HA ARG 8 HA ARG 8 7.008 3.318 -0.397
72 HB2 ARG 8 2HB ARG 8 6.901 0.951 -1.024
73 HB3 ARG 8 1HB ARG 8 8.515 1.580 -1.357
74 HG2 ARG 8 2HG ARG 8 9.329 -0.105 -0.100
75 HG3 ARG 8 1HG ARG 8 8.632 0.707 1.302
76 HD2 ARG 8 2HD ARG 8 6.992 -0.856 1.506
77 HD3 ARG 8 1HD ARG 8 6.649 -0.826 -0.236
78 HE ARG 8 HE ARG 8 8.489 -2.399 -0.576
79 HH11 ARG 8 1HH1 ARG 8 9.400 -1.268 2.332
80 HH12 ARG 8 2HH1 ARG 8 9.495 -2.791 3.149
81 HH21 ARG 8 1HH2 ARG 8 7.868 -4.541 0.636
82 HH22 ARG 8 2HH2 ARG 8 8.620 -4.643 2.192
83 H CYS 9 H CYS 9 5.007 3.003 0.514
84 HA CYS 9 HA CYS 9 4.911 2.241 3.376
85 HB2 CYS 9 2HB CYS 9 2.825 3.438 3.310
86 HB3 CYS 9 1HB CYS 9 3.958 4.366 2.330
87 H TRP 10 H TRP 10 3.227 0.730 4.086
88 HA TRP 10 HA TRP 10 2.827 -1.544 2.231
89 HB2 TRP 10 2HB TRP 10 2.230 -1.052 5.168
90 HB3 TRP 10 1HB TRP 10 1.938 -2.575 4.352
91 HD1 TRP 10 HD TRP 10 3.839 -4.201 4.179
92 HE1 TRP 10 1HE TRP 10 6.321 -4.206 4.819
93 HE3 TRP 10 3HE TRP 10 4.439 0.733 5.290
94 HZ2 TRP 10 2HZ TRP 10 8.316 -2.336 5.697
95 HZ3 TRP 10 3HZ TRP 10 6.629 1.597 6.032
96 HH2 TRP 10 HH TRP 10 8.560 0.074 6.239
97 H ASN 11 H ASN 11 0.971 0.459 4.463
98 HA ASN 11 HA ASN 11 -1.592 -0.242 4.213
99 HB2 ASN 11 2HB ASN 11 -0.921 1.698 5.439
100 HB3 ASN 11 1HB ASN 11 -0.359 2.502 3.971
101 HD21 ASN 11 1HD2 ASN 11 -3.217 1.651 5.841
102 HD22 ASN 11 2HD2 ASN 11 -4.320 2.537 4.910
103 H CYS 12 H CYS 12 0.176 1.514 1.676
104 HA CYS 12 HA CYS 12 -2.055 0.819 -0.209
105 HB2 CYS 12 2HB CYS 12 -1.913 3.030 -1.118
106 HB3 CYS 12 1HB CYS 12 -1.932 3.214 0.635
107 H GLY 13 H GLY 13 1.366 0.940 0.392
108 HA2 GLY 13 2HA GLY 13 3.071 -0.152 -0.841
109 HA3 GLY 13 1HA GLY 13 1.871 -0.564 -2.063
110 H LYS 14 H LYS 14 3.752 2.211 -0.818
111 HA LYS 14 HA LYS 14 4.441 3.038 -3.523
112 HB2 LYS 14 2HB LYS 14 2.071 3.705 -3.416
113 HB3 LYS 14 1HB LYS 14 2.394 4.634 -1.953
114 HG2 LYS 14 2HG LYS 14 2.364 6.106 -3.931
115 HG3 LYS 14 1HG LYS 14 3.970 6.062 -3.205
116 HD2 LYS 14 2HD LYS 14 4.707 4.419 -4.869
117 HD3 LYS 14 1HD LYS 14 3.092 4.390 -5.580
118 HE2 LYS 14 2HE LYS 14 4.119 5.946 -6.983
119 HE3 LYS 14 1HE LYS 14 3.518 7.037 -5.719
120 HZ1 LYS 14 3HZ LYS 14 6.203 6.413 -6.381
121 HZ2 LYS 14 1HZ LYS 14 5.895 5.967 -4.776
122 HZ3 LYS 14 2HZ LYS 14 5.619 7.564 -5.277
123 H GLU 15 H GLU 15 6.062 4.638 -3.503
124 HA GLU 15 HA GLU 15 7.580 4.958 -1.077
125 HB2 GLU 15 2HB GLU 15 9.109 6.006 -2.517
126 HB3 GLU 15 1HB GLU 15 8.198 4.993 -3.634
127 HG2 GLU 15 2HG GLU 15 7.946 6.937 -4.803
128 HG3 GLU 15 1HG GLU 15 6.664 7.253 -3.632
129 H GLY 16 H GLY 16 8.191 7.201 -0.239
130 HA2 GLY 16 2HA GLY 16 7.442 9.609 -0.180
131 HA3 GLY 16 1HA GLY 16 5.793 8.992 -0.254
132 H HIS 17 H HIS 17 6.159 6.809 1.584
133 HA HIS 17 HA HIS 17 7.169 7.934 4.105
134 HB2 HIS 17 2HB HIS 17 4.838 7.858 5.117
135 HB3 HIS 17 1HB HIS 17 5.085 9.137 3.927
136 HD1 HIS 17 1HD HIS 17 4.396 8.314 1.345
137 HD2 HIS 17 2HD HIS 17 2.618 6.327 4.551
138 HE1 HIS 17 1HE HIS 17 2.340 7.159 0.420
139 H SER 18 H SER 18 5.738 6.341 5.876
140 HA SER 18 HA SER 18 6.507 3.589 4.981
141 HB2 SER 18 2HB SER 18 6.499 3.324 7.583
142 HB3 SER 18 1HB SER 18 7.811 4.231 6.833
143 HG SER 18 HG SER 18 5.433 5.519 7.624
144 H ALA 19 H ALA 19 5.126 2.200 7.017
145 HA ALA 19 HA ALA 19 2.385 2.273 5.944
146 HB1 ALA 19 3HB ALA 19 2.987 0.094 6.228
147 HB2 ALA 19 1HB ALA 19 2.468 0.350 7.887
148 HB3 ALA 19 2HB ALA 19 4.174 0.479 7.465
149 H ARG 20 H ARG 20 4.050 3.630 8.620
150 HA ARG 20 HA ARG 20 1.681 3.724 10.388
151 HB2 ARG 20 2HB ARG 20 3.247 4.710 11.939
152 HB3 ARG 20 1HB ARG 20 4.095 3.405 11.109
153 HG2 ARG 20 2HG ARG 20 5.216 4.952 9.649
154 HG3 ARG 20 1HG ARG 20 4.209 6.291 10.202
155 HD2 ARG 20 2HD ARG 20 6.461 6.331 11.276
156 HD3 ARG 20 1HD ARG 20 5.178 6.075 12.477
157 HE ARG 20 HE ARG 20 5.680 3.609 12.280
158 HH11 ARG 20 1HH2 ARG 20 8.020 5.170 13.489
159 HH12 ARG 20 2HH2 ARG 20 9.355 4.470 12.635
160 HH21 ARG 20 1HH1 ARG 20 7.372 3.035 10.178
161 HH22 ARG 20 2HH1 ARG 20 8.988 3.261 10.759
162 H GLN 21 H GLN 21 2.016 5.183 7.635
163 HA GLN 21 HA GLN 21 1.146 7.868 8.651
164 HB2 GLN 21 2HB GLN 21 3.180 7.037 6.608
165 HB3 GLN 21 1HB GLN 21 2.303 8.547 6.355
166 HG2 GLN 21 2HG GLN 21 3.563 7.958 9.024
167 HG3 GLN 21 1HG GLN 21 4.539 8.608 7.705
168 HE21 GLN 21 1HE2 GLN 21 4.503 10.855 7.478
169 HE22 GLN 21 2HE2 GLN 21 3.322 11.882 8.156
170 H CYS 22 H CYS 22 1.035 5.498 6.000
171 HA CYS 22 HA CYS 22 -1.260 6.859 4.720
172 HB2 CYS 22 2HB CYS 22 0.839 5.010 4.045
173 HB3 CYS 22 1HB CYS 22 -0.718 4.296 3.624
174 H ARG 23 H ARG 23 -3.312 6.410 5.244
175 HA ARG 23 HA ARG 23 -3.928 3.759 6.492
176 HB2 ARG 23 2HB ARG 23 -4.138 6.335 7.581
177 HB3 ARG 23 1HB ARG 23 -5.787 5.918 7.112
178 HG2 ARG 23 2HG ARG 23 -3.943 4.416 8.978
179 HG3 ARG 23 1HG ARG 23 -5.544 5.070 9.322
180 HD2 ARG 23 2HD ARG 23 -5.885 3.310 7.122
181 HD3 ARG 23 1HD ARG 23 -4.868 2.453 8.299
182 HE ARG 23 HE ARG 23 -6.954 3.794 9.714
183 HH11 ARG 23 1HH2 ARG 23 -7.011 1.661 7.067
184 HH12 ARG 23 2HH2 ARG 23 -8.096 0.529 7.803
185 HH21 ARG 23 1HH1 ARG 23 -8.117 2.140 10.873
186 HH22 ARG 23 2HH1 ARG 23 -8.725 0.802 9.956
187 H ALA 24 H ALA 24 -3.942 4.609 3.666
188 HA ALA 24 HA ALA 24 -6.280 5.347 2.439
189 HB1 ALA 24 3HB ALA 24 -5.123 2.747 1.548
190 HB2 ALA 24 1HB ALA 24 -4.001 4.101 1.697
191 HB3 ALA 24 2HB ALA 24 -5.396 4.225 0.626
192 HA PRO 25 HA PRO 25 -9.516 2.664 3.671
193 HB2 PRO 25 2HB PRO 25 -10.938 2.354 1.354
194 HB3 PRO 25 1HB PRO 25 -10.936 3.853 2.306
195 HG2 PRO 25 2HG PRO 25 -9.439 3.187 -0.179
196 HG3 PRO 25 1HG PRO 25 -10.195 4.711 0.311
197 HD2 PRO 25 2HD PRO 25 -7.511 4.235 0.475
198 HD3 PRO 25 1HD PRO 25 -8.379 5.372 1.531
199 H ARG 26 H ARG 26 -8.681 1.579 0.374
200 HA ARG 26 HA ARG 26 -9.309 -1.059 0.515
201 HB2 ARG 26 2HB ARG 26 -7.350 -1.356 -1.091
202 HB3 ARG 26 1HB ARG 26 -8.498 -0.083 -1.502
203 HG2 ARG 26 2HG ARG 26 -6.659 1.239 -1.660
204 HG3 ARG 26 1HG ARG 26 -6.724 1.269 0.101
205 HD2 ARG 26 2HD ARG 26 -4.513 0.562 -0.276
206 HD3 ARG 26 1HD ARG 26 -5.353 -0.994 -0.122
207 HE ARG 26 HE ARG 26 -5.638 -0.340 -2.808
208 HH11 ARG 26 1HH2 ARG 26 -2.910 0.985 -2.061
209 HH12 ARG 26 2HH2 ARG 26 -1.824 -0.246 -2.615
210 HH21 ARG 26 1HH1 ARG 26 -4.293 -2.665 -2.903
211 HH22 ARG 26 2HH1 ARG 26 -2.608 -2.314 -3.092
212 H ARG 27 H ARG 27 -6.056 0.165 1.411
213 HA ARG 27 HA ARG 27 -4.341 -0.871 2.654
214 HB2 ARG 27 2HB ARG 27 -6.907 -0.803 4.106
215 HB3 ARG 27 1HB ARG 27 -5.679 -1.858 4.811
216 HG2 ARG 27 2HG ARG 27 -4.072 0.157 4.400
217 HG3 ARG 27 1HG ARG 27 -5.554 1.100 4.307
218 HD2 ARG 27 2HD ARG 27 -5.261 1.246 6.593
219 HD3 ARG 27 1HD ARG 27 -6.039 -0.349 6.577
220 HE ARG 27 HE ARG 27 -3.386 -0.934 6.082
221 HH11 ARG 27 1HH2 ARG 27 -3.198 1.720 7.743
222 HH12 ARG 27 2HH2 ARG 27 -2.877 1.058 9.311
223 HH21 ARG 27 1HH1 ARG 27 -3.774 -2.172 8.425
224 HH22 ARG 27 2HH1 ARG 27 -3.200 -1.144 9.695
225 H GLN 28 H GLN 28 -3.920 -2.988 4.042
226 HA GLN 28 HA GLN 28 -5.097 -5.388 2.721
227 HB2 GLN 28 2HB GLN 28 -2.231 -4.447 2.696
228 HB3 GLN 28 1HB GLN 28 -2.580 -6.173 2.634
229 HG2 GLN 28 2HG GLN 28 -2.459 -5.514 0.357
230 HG3 GLN 28 1HG GLN 28 -4.186 -5.607 0.700
231 HE21 GLN 28 1HE2 GLN 28 -1.857 -3.007 1.584
232 HE22 GLN 28 2HE2 GLN 28 -2.688 -1.778 0.744
233 H GLY 29 H GLY 29 -5.757 -4.671 5.213
234 HA2 GLY 29 2HA GLY 29 -5.543 -5.182 7.523
235 HA3 GLY 29 1HA GLY 29 -5.306 -6.812 6.883
236 H CYS 30 H CYS 30 -3.437 -7.738 7.535
237 HA CYS 30 HA CYS 30 -1.229 -6.039 8.546
238 HB2 CYS 30 2HB CYS 30 -2.230 -8.154 9.636
239 HB3 CYS 30 1HB CYS 30 -1.377 -9.049 8.381
240 H TRP 31 H TRP 31 0.699 -5.790 7.419
241 HA TRP 31 HA TRP 31 0.871 -6.979 4.692
242 HB2 TRP 31 2HB TRP 31 3.159 -5.394 5.426
243 HB3 TRP 31 1HB TRP 31 1.940 -5.046 4.208
244 HD1 TRP 31 HD TRP 31 -0.445 -3.993 5.346
245 HE1 TRP 31 1HE TRP 31 -0.610 -2.143 7.135
246 HE3 TRP 31 3HE TRP 31 4.226 -4.291 7.306
247 HZ2 TRP 31 2HZ TRP 31 1.046 -0.954 9.139
248 HZ3 TRP 31 3HZ TRP 31 4.925 -2.800 9.165
249 HH2 TRP 31 HH TRP 31 3.336 -1.132 10.087
250 H LYS 32 H LYS 32 2.205 -7.168 7.869
251 HA LYS 32 HA LYS 32 4.483 -8.868 7.089
252 HB2 LYS 32 2HB LYS 32 4.758 -7.233 8.838
253 HB3 LYS 32 1HB LYS 32 3.312 -7.803 9.671
254 HG2 LYS 32 2HG LYS 32 4.372 -9.915 10.194
255 HG3 LYS 32 1HG LYS 32 5.781 -9.497 9.213
256 HD2 LYS 32 2HD LYS 32 5.280 -7.374 11.074
257 HD3 LYS 32 1HD LYS 32 5.341 -8.903 11.953
258 HE2 LYS 32 2HE LYS 32 7.469 -9.333 10.430
259 HE3 LYS 32 1HE LYS 32 7.486 -7.561 10.342
260 HZ1 LYS 32 3HZ LYS 32 8.486 -8.970 12.402
261 HZ2 LYS 32 1HZ LYS 32 6.918 -8.643 12.963
262 HZ3 LYS 32 2HZ LYS 32 7.942 -7.363 12.516
263 H CYS 33 H CYS 33 1.251 -9.410 7.256
264 HA CYS 33 HA CYS 33 1.661 -12.264 8.031
265 HB2 CYS 33 2HB CYS 33 -0.541 -10.489 9.136
266 HB3 CYS 33 1HB CYS 33 -0.217 -12.162 9.582
267 H GLY 34 H GLY 34 -0.505 -9.789 6.640
268 HA2 GLY 34 2HA GLY 34 -1.464 -10.115 4.420
269 HA3 GLY 34 1HA GLY 34 -1.405 -11.854 4.692
270 H LYS 35 H LYS 35 -2.562 -11.574 7.435
271 HA LYS 35 HA LYS 35 -5.252 -12.105 6.971
272 HB2 LYS 35 2HB LYS 35 -3.594 -11.088 9.204
273 HB3 LYS 35 1HB LYS 35 -5.334 -10.885 9.395
274 HG2 LYS 35 2HG LYS 35 -4.510 -13.535 8.385
275 HG3 LYS 35 1HG LYS 35 -3.982 -13.177 10.030
276 HD2 LYS 35 2HD LYS 35 -6.102 -13.225 10.858
277 HD3 LYS 35 1HD LYS 35 -6.778 -12.426 9.439
278 HE2 LYS 35 2HE LYS 35 -7.506 -14.851 9.748
279 HE3 LYS 35 1HE LYS 35 -6.752 -14.504 8.179
280 HZ1 LYS 35 3HZ LYS 35 -5.117 -15.302 10.502
281 HZ2 LYS 35 1HZ LYS 35 -4.735 -15.398 8.854
282 HZ3 LYS 35 2HZ LYS 35 -5.859 -16.478 9.527
283 H THR 36 H THR 36 -7.097 -10.576 7.894
284 HA THR 36 HA THR 36 -6.841 -7.954 6.473
285 HB THR 36 HB THR 36 -9.228 -8.160 6.134
286 HG1 THR 36 1HG THR 36 -10.108 -10.259 7.047
287 HG21 THR 36 3HG2 THR 36 -8.998 -10.889 5.515
288 HG22 THR 36 1HG2 THR 36 -7.360 -10.246 5.392
289 HG23 THR 36 2HG2 THR 36 -8.662 -9.529 4.442
290 H GLY 37 H GLY 37 -9.077 -9.078 9.001
291 HA2 GLY 37 2HA GLY 37 -9.367 -6.640 10.329
292 HA3 GLY 37 1HA GLY 37 -9.530 -8.199 11.138
293 H HIS 38 H HIS 38 -7.054 -9.237 11.207
294 HA HIS 38 HA HIS 38 -5.668 -7.502 13.104
295 HB2 HIS 38 2HB HIS 38 -4.983 -9.522 13.846
296 HB3 HIS 38 1HB HIS 38 -5.991 -10.234 12.597
297 HD1 HIS 38 1HD HIS 38 -4.560 -12.137 11.807
298 HD2 HIS 38 2HD HIS 38 -2.416 -8.569 11.998
299 HE1 HIS 38 1HE HIS 38 -2.284 -12.617 10.807
300 H VAL 39 H VAL 39 -3.996 -6.149 12.655
301 HA VAL 39 HA VAL 39 -2.664 -6.382 9.972
302 HB VAL 39 HB VAL 39 -2.551 -3.913 10.067
303 HG11 VAL 39 1HG1 VAL 39 -5.390 -4.451 10.785
304 HG12 VAL 39 2HG1 VAL 39 -4.714 -5.392 9.455
305 HG13 VAL 39 3HG1 VAL 39 -4.724 -3.629 9.374
306 HG21 VAL 39 3HG2 VAL 39 -4.392 -3.720 12.367
307 HG22 VAL 39 1HG2 VAL 39 -2.992 -2.724 11.961
308 HG23 VAL 39 2HG2 VAL 39 -2.769 -4.267 12.786
309 H MET 40 H MET 40 -0.620 -4.555 10.372
310 HA MET 40 HA MET 40 1.366 -5.996 11.753
311 HB2 MET 40 2HB MET 40 2.710 -4.088 11.353
312 HB3 MET 40 1HB MET 40 1.482 -4.006 10.093
313 HG2 MET 40 2HG MET 40 1.159 -2.575 12.737
314 HG3 MET 40 1HG MET 40 1.974 -1.836 11.363
315 HE1 MET 40 3HE MET 40 0.262 0.165 10.591
316 HE2 MET 40 1HE MET 40 0.161 -0.228 12.313
317 HE3 MET 40 2HE MET 40 -1.310 0.041 11.379
318 H ALA 41 H ALA 41 -0.843 -3.484 12.967
319 HA ALA 41 HA ALA 41 0.290 -3.101 15.559
320 HB1 ALA 41 3HB ALA 41 -1.517 -1.746 14.515
321 HB2 ALA 41 1HB ALA 41 -2.019 -2.359 16.091
322 HB3 ALA 41 2HB ALA 41 -2.602 -3.134 14.618
323 H LYS 42 H LYS 42 -1.437 -5.705 14.109
324 HA LYS 42 HA LYS 42 -1.257 -7.301 16.601
325 HB2 LYS 42 2HB LYS 42 -3.618 -6.042 15.401
326 HB3 LYS 42 1HB LYS 42 -3.813 -7.786 15.656
327 HG2 LYS 42 2HG LYS 42 -2.600 -6.199 17.873
328 HG3 LYS 42 1HG LYS 42 -4.327 -5.992 17.589
329 HD2 LYS 42 2HD LYS 42 -4.827 -8.181 18.148
330 HD3 LYS 42 1HD LYS 42 -3.237 -8.776 17.669
331 HE2 LYS 42 2HE LYS 42 -2.840 -8.822 19.927
332 HE3 LYS 42 1HE LYS 42 -2.591 -7.076 19.738
333 HZ1 LYS 42 3HZ LYS 42 -5.183 -8.415 20.316
334 HZ2 LYS 42 1HZ LYS 42 -4.976 -6.749 20.074
335 HZ3 LYS 42 2HZ LYS 42 -4.268 -7.506 21.420
336 H CYS 43 H CYS 43 0.366 -7.923 14.671
337 HA CYS 43 HA CYS 43 -0.500 -9.301 12.366
338 HB2 CYS 43 2HB CYS 43 1.713 -8.342 13.289
339 HB3 CYS 43 1HB CYS 43 1.946 -9.934 13.971
340 HA PRO 44 HA PRO 44 -1.183 -13.552 13.748
341 HB2 PRO 44 2HB PRO 44 0.806 -14.991 14.987
342 HB3 PRO 44 1HB PRO 44 0.689 -14.808 13.224
343 HG2 PRO 44 2HG PRO 44 2.368 -13.290 15.171
344 HG3 PRO 44 1HG PRO 44 2.810 -13.966 13.593
345 HD2 PRO 44 2HD PRO 44 2.290 -11.390 13.876
346 HD3 PRO 44 1HD PRO 44 1.775 -12.261 12.422
347 H GLU 45 H GLU 45 -2.411 -12.200 15.297
348 HA GLU 45 HA GLU 45 -2.249 -13.230 18.013
349 HB2 GLU 45 2HB GLU 45 -1.919 -10.709 18.805
350 HB3 GLU 45 1HB GLU 45 -0.525 -11.723 18.437
351 HG2 GLU 45 2HG GLU 45 -0.382 -10.782 16.186
352 HG3 GLU 45 1HG GLU 45 -1.850 -9.841 16.455
353 H ARG 46 H ARG 46 -4.485 -13.633 17.840
354 HA ARG 46 HA ARG 46 -6.780 -13.077 18.032
355 HB2 ARG 46 2HB ARG 46 -5.851 -10.206 18.197
356 HB3 ARG 46 1HB ARG 46 -7.233 -10.955 18.995
357 HG2 ARG 46 2HG ARG 46 -4.995 -12.436 19.845
358 HG3 ARG 46 1HG ARG 46 -4.492 -10.746 19.916
359 HD2 ARG 46 2HD ARG 46 -5.514 -10.965 22.003
360 HD3 ARG 46 1HD ARG 46 -6.908 -10.455 21.030
361 HE ARG 46 HE ARG 46 -6.272 -13.333 21.565
362 HH11 ARG 46 1HH2 ARG 46 -8.391 -10.890 22.363
363 HH12 ARG 46 2HH2 ARG 46 -9.835 -11.747 21.938
364 HH21 ARG 46 1HH1 ARG 46 -8.144 -14.378 20.439
365 HH22 ARG 46 2HH1 ARG 46 -9.694 -13.725 20.849
366 H GLN 47 H GLN 47 -7.859 -13.320 16.103
367 HA GLN 47 HA GLN 47 -7.233 -11.445 13.862
368 HB2 GLN 47 2HB GLN 47 -8.111 -13.182 12.464
369 HB3 GLN 47 1HB GLN 47 -7.144 -14.001 13.690
370 HG2 GLN 47 2HG GLN 47 -9.290 -14.258 15.039
371 HG3 GLN 47 1HG GLN 47 -10.156 -13.725 13.598
372 HE21 GLN 47 1HE2 GLN 47 -10.077 -15.135 11.681
373 HE22 GLN 47 2HE2 GLN 47 -9.627 -16.766 11.823
374 H ALA 48 H ALA 48 -9.561 -11.997 16.298
375 HA ALA 48 HA ALA 48 -11.826 -10.888 14.742
376 HB1 ALA 48 3HB ALA 48 -11.431 -12.608 16.968
377 HB2 ALA 48 1HB ALA 48 -12.967 -12.128 16.245
378 HB3 ALA 48 2HB ALA 48 -12.285 -11.188 17.573
379 H GLY 49 H GLY 49 -13.100 -9.096 15.987
380 HA2 GLY 49 2HA GLY 49 -11.246 -6.875 16.445
381 HA3 GLY 49 1HA GLY 49 -13.009 -6.768 16.436
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 18.801 12.866 19.487
2 H2 ALA 1 2HT ALA 1 18.757 13.607 17.959
3 H3 ALA 1 3HT ALA 1 20.238 13.095 18.615
4 HA ALA 1 HA ALA 1 19.886 10.905 18.119
5 HB1 ALA 1 3HB ALA 1 17.735 9.906 18.345
6 HB2 ALA 1 1HB ALA 1 16.911 11.441 18.070
7 HB3 ALA 1 2HB ALA 1 17.774 11.163 19.582
8 H GLN 2 H GLN 2 18.972 9.740 16.096
9 HA GLN 2 HA GLN 2 18.359 11.673 13.895
10 HB2 GLN 2 2HB GLN 2 20.005 10.037 12.595
11 HB3 GLN 2 1HB GLN 2 20.639 11.385 13.535
12 HG2 GLN 2 2HG GLN 2 21.825 9.217 13.975
13 HG3 GLN 2 1HG GLN 2 21.103 9.926 15.420
14 HE21 GLN 2 1HE2 GLN 2 20.755 7.300 13.044
15 HE22 GLN 2 2HE2 GLN 2 19.647 6.396 13.957
16 H GLN 3 H GLN 3 17.390 10.594 11.994
17 HA GLN 3 HA GLN 3 16.126 7.961 12.676
18 HB2 GLN 3 2HB GLN 3 14.070 8.801 11.851
19 HB3 GLN 3 1HB GLN 3 14.741 10.150 12.767
20 HG2 GLN 3 2HG GLN 3 15.860 10.694 10.399
21 HG3 GLN 3 1HG GLN 3 14.439 9.821 9.821
22 HE21 GLN 3 1HE2 GLN 3 12.407 10.584 11.486
23 HE22 GLN 3 2HE2 GLN 3 12.202 12.268 11.478
24 H ARG 4 H ARG 4 15.250 6.909 10.568
25 HA ARG 4 HA ARG 4 17.423 7.024 8.531
26 HB2 ARG 4 2HB ARG 4 15.317 5.042 9.391
27 HB3 ARG 4 1HB ARG 4 16.170 4.841 7.860
28 HG2 ARG 4 2HG ARG 4 17.966 4.009 8.926
29 HG3 ARG 4 1HG ARG 4 18.075 5.458 9.927
30 HD2 ARG 4 2HD ARG 4 15.896 4.105 11.009
31 HD3 ARG 4 1HD ARG 4 17.047 2.810 10.628
32 HE ARG 4 HE ARG 4 17.527 5.047 12.501
33 HH11 ARG 4 1HH1 ARG 4 18.068 2.114 13.042
34 HH12 ARG 4 2HH1 ARG 4 19.795 2.057 12.927
35 HH21 ARG 4 1HH2 ARG 4 20.051 5.115 11.311
36 HH22 ARG 4 2HH2 ARG 4 20.919 3.758 11.948
37 H LYS 5 H LYS 5 16.629 8.935 7.392
38 HA LYS 5 HA LYS 5 15.349 10.021 5.725
39 HB2 LYS 5 2HB LYS 5 14.817 7.073 5.308
40 HB3 LYS 5 1HB LYS 5 14.161 8.295 4.219
41 HG2 LYS 5 2HG LYS 5 16.992 8.735 4.769
42 HG3 LYS 5 1HG LYS 5 16.698 7.149 4.053
43 HD2 LYS 5 2HD LYS 5 15.430 8.191 2.223
44 HD3 LYS 5 1HD LYS 5 15.680 9.782 2.943
45 HE2 LYS 5 2HE LYS 5 18.092 8.084 2.376
46 HE3 LYS 5 1HE LYS 5 17.309 8.938 1.031
47 HZ1 LYS 5 3HZ LYS 5 17.683 10.974 1.972
48 HZ2 LYS 5 1HZ LYS 5 19.065 10.156 2.516
49 HZ3 LYS 5 2HZ LYS 5 17.740 10.368 3.558
50 H VAL 6 H VAL 6 12.996 10.389 5.029
51 HA VAL 6 HA VAL 6 11.301 10.618 7.347
52 HB VAL 6 HB VAL 6 10.479 10.740 4.437
53 HG11 VAL 6 1HG1 VAL 6 8.992 11.080 6.668
54 HG12 VAL 6 2HG1 VAL 6 8.697 11.978 5.178
55 HG13 VAL 6 3HG1 VAL 6 9.624 12.716 6.486
56 HG21 VAL 6 3HG2 VAL 6 11.158 13.253 4.834
57 HG22 VAL 6 1HG2 VAL 6 12.395 12.083 4.375
58 HG23 VAL 6 2HG2 VAL 6 12.225 12.570 6.062
59 H ILE 7 H ILE 7 10.074 9.022 8.232
60 HA ILE 7 HA ILE 7 9.864 6.408 7.597
61 HB ILE 7 HB ILE 7 8.746 8.062 9.399
62 HG12 ILE 7 2HG1 ILE 7 9.133 5.527 9.428
63 HG13 ILE 7 1HG1 ILE 7 7.778 6.127 10.382
64 HG21 ILE 7 1HG2 ILE 7 6.269 7.913 9.190
65 HG22 ILE 7 2HG2 ILE 7 6.471 7.217 7.582
66 HG23 ILE 7 3HG2 ILE 7 6.988 8.873 7.897
67 HD11 ILE 7 3HD1 ILE 7 7.672 4.163 8.380
68 HD12 ILE 7 1HD1 ILE 7 6.962 5.600 7.646
69 HD13 ILE 7 2HD1 ILE 7 6.298 4.959 9.149
70 H ARG 8 H ARG 8 9.142 5.256 5.846
71 HA ARG 8 HA ARG 8 7.638 6.635 3.724
72 HB2 ARG 8 2HB ARG 8 9.622 4.900 3.632
73 HB3 ARG 8 1HB ARG 8 8.323 3.713 3.758
74 HG2 ARG 8 2HG ARG 8 7.433 4.256 1.699
75 HG3 ARG 8 1HG ARG 8 7.991 5.929 1.782
76 HD2 ARG 8 2HD ARG 8 9.978 5.428 0.780
77 HD3 ARG 8 1HD ARG 8 10.173 3.935 1.720
78 HE ARG 8 HE ARG 8 8.068 3.326 0.063
79 HH11 ARG 8 1HH1 ARG 8 10.145 5.525 -1.226
80 HH12 ARG 8 2HH1 ARG 8 10.794 4.501 -2.462
81 HH21 ARG 8 1HH2 ARG 8 9.358 1.612 -1.192
82 HH22 ARG 8 2HH2 ARG 8 10.348 2.285 -2.442
83 H CYS 9 H CYS 9 5.436 6.750 3.916
84 HA CYS 9 HA CYS 9 3.751 5.400 5.677
85 HB2 CYS 9 2HB CYS 9 3.100 7.288 4.257
86 HB3 CYS 9 1HB CYS 9 3.266 6.284 2.813
87 H TRP 10 H TRP 10 4.044 3.170 5.935
88 HA TRP 10 HA TRP 10 4.490 1.312 3.777
89 HB2 TRP 10 2HB TRP 10 5.190 0.768 5.993
90 HB3 TRP 10 1HB TRP 10 3.607 1.123 6.668
91 HD1 TRP 10 HD TRP 10 5.674 -1.638 5.526
92 HE1 TRP 10 1HE TRP 10 4.298 -3.800 5.239
93 HE3 TRP 10 3HE TRP 10 0.948 0.278 5.708
94 HZ2 TRP 10 2HZ TRP 10 1.552 -4.586 5.116
95 HZ3 TRP 10 3HZ TRP 10 -1.010 -1.180 5.529
96 HH2 TRP 10 HH TRP 10 -0.715 -3.594 5.243
97 H ASN 11 H ASN 11 1.618 2.748 5.125
98 HA ASN 11 HA ASN 11 -0.252 0.691 4.341
99 HB2 ASN 11 2HB ASN 11 -0.792 2.275 6.057
100 HB3 ASN 11 1HB ASN 11 -0.441 3.637 4.994
101 HD21 ASN 11 1HD2 ASN 11 -2.476 0.661 4.709
102 HD22 ASN 11 2HD2 ASN 11 -3.851 1.487 4.156
103 H CYS 12 H CYS 12 0.974 3.619 2.734
104 HA CYS 12 HA CYS 12 -0.405 2.674 0.252
105 HB2 CYS 12 2HB CYS 12 -1.117 4.882 -0.165
106 HB3 CYS 12 1HB CYS 12 -1.347 4.681 1.568
107 H GLY 13 H GLY 13 2.522 3.313 1.730
108 HA2 GLY 13 2HA GLY 13 4.701 3.261 0.853
109 HA3 GLY 13 1HA GLY 13 3.998 3.034 -0.747
110 H LYS 14 H LYS 14 4.573 5.552 1.720
111 HA LYS 14 HA LYS 14 5.499 7.410 -0.334
112 HB2 LYS 14 2HB LYS 14 2.800 7.222 -0.093
113 HB3 LYS 14 1HB LYS 14 3.134 8.468 1.110
114 HG2 LYS 14 2HG LYS 14 4.146 8.549 -1.746
115 HG3 LYS 14 1HG LYS 14 2.711 9.401 -1.178
116 HD2 LYS 14 2HD LYS 14 3.960 10.832 0.216
117 HD3 LYS 14 1HD LYS 14 5.368 9.772 0.197
118 HE2 LYS 14 2HE LYS 14 4.908 10.409 -2.507
119 HE3 LYS 14 1HE LYS 14 4.710 11.934 -1.621
120 HZ1 LYS 14 3HZ LYS 14 7.028 10.102 -1.639
121 HZ2 LYS 14 1HZ LYS 14 6.771 11.159 -0.337
122 HZ3 LYS 14 2HZ LYS 14 6.999 11.779 -1.903
123 H GLU 15 H GLU 15 7.152 8.405 0.725
124 HA GLU 15 HA GLU 15 7.666 8.432 3.490
125 HB2 GLU 15 2HB GLU 15 8.504 9.904 1.057
126 HB3 GLU 15 1HB GLU 15 8.876 10.697 2.589
127 HG2 GLU 15 2HG GLU 15 10.465 9.170 3.120
128 HG3 GLU 15 1HG GLU 15 9.465 7.818 2.588
129 H GLY 16 H GLY 16 7.165 9.886 5.166
130 HA2 GLY 16 2HA GLY 16 6.348 12.349 5.486
131 HA3 GLY 16 1HA GLY 16 4.947 11.788 4.575
132 H HIS 17 H HIS 17 4.828 9.154 5.732
133 HA HIS 17 HA HIS 17 4.600 9.472 8.646
134 HB2 HIS 17 2HB HIS 17 2.096 9.117 8.529
135 HB3 HIS 17 1HB HIS 17 2.636 10.676 7.905
136 HD1 HIS 17 1HD HIS 17 2.680 10.967 5.287
137 HD2 HIS 17 2HD HIS 17 0.955 7.406 6.598
138 HE1 HIS 17 1HE HIS 17 1.457 9.990 3.298
139 H SER 18 H SER 18 3.376 7.397 9.514
140 HA SER 18 HA SER 18 4.610 5.067 8.181
141 HB2 SER 18 2HB SER 18 3.309 4.139 10.389
142 HB3 SER 18 1HB SER 18 4.925 4.850 10.434
143 HG SER 18 HG SER 18 2.474 6.263 10.744
144 H ALA 19 H ALA 19 2.865 3.027 8.831
145 HA ALA 19 HA ALA 19 0.703 3.431 6.854
146 HB1 ALA 19 3HB ALA 19 0.444 0.898 7.412
147 HB2 ALA 19 1HB ALA 19 1.940 1.098 8.327
148 HB3 ALA 19 2HB ALA 19 1.913 1.422 6.596
149 H ARG 20 H ARG 20 1.078 2.746 10.327
150 HA ARG 20 HA ARG 20 -1.621 2.188 10.986
151 HB2 ARG 20 2HB ARG 20 -0.911 3.059 13.234
152 HB3 ARG 20 1HB ARG 20 0.262 1.944 12.532
153 HG2 ARG 20 2HG ARG 20 1.006 4.447 11.535
154 HG3 ARG 20 1HG ARG 20 0.582 4.752 13.219
155 HD2 ARG 20 2HD ARG 20 2.010 2.518 13.600
156 HD3 ARG 20 1HD ARG 20 2.787 3.070 12.103
157 HE ARG 20 HE ARG 20 3.655 4.918 13.301
158 HH11 ARG 20 1HH2 ARG 20 3.190 3.046 15.734
159 HH12 ARG 20 2HH2 ARG 20 2.436 4.153 16.832
160 HH21 ARG 20 1HH1 ARG 20 1.763 6.526 14.394
161 HH22 ARG 20 2HH1 ARG 20 1.625 6.122 16.073
162 H GLN 21 H GLN 21 -0.063 5.163 10.052
163 HA GLN 21 HA GLN 21 -2.287 6.867 11.000
164 HB2 GLN 21 2HB GLN 21 0.094 7.565 11.110
165 HB3 GLN 21 1HB GLN 21 0.199 7.442 9.352
166 HG2 GLN 21 2HG GLN 21 -0.712 9.483 9.095
167 HG3 GLN 21 1HG GLN 21 -2.091 9.041 10.101
168 HE21 GLN 21 1HE2 GLN 21 -2.132 9.808 12.267
169 HE22 GLN 21 2HE2 GLN 21 -0.882 10.743 12.953
170 H CYS 22 H CYS 22 -0.828 5.872 7.882
171 HA CYS 22 HA CYS 22 -2.990 7.142 6.349
172 HB2 CYS 22 2HB CYS 22 -0.340 6.240 5.935
173 HB3 CYS 22 1HB CYS 22 -1.361 5.247 4.895
174 H ARG 23 H ARG 23 -4.803 6.111 5.623
175 HA ARG 23 HA ARG 23 -5.139 3.219 6.295
176 HB2 ARG 23 2HB ARG 23 -6.689 5.628 6.554
177 HB3 ARG 23 1HB ARG 23 -7.551 4.518 5.490
178 HG2 ARG 23 2HG ARG 23 -6.357 3.396 7.986
179 HG3 ARG 23 1HG ARG 23 -7.814 4.381 8.141
180 HD2 ARG 23 2HD ARG 23 -8.113 2.563 5.915
181 HD3 ARG 23 1HD ARG 23 -7.690 1.665 7.384
182 HE ARG 23 HE ARG 23 -9.727 3.748 7.761
183 HH11 ARG 23 1HH1 ARG 23 -10.040 1.097 5.903
184 HH12 ARG 23 2HH1 ARG 23 -11.089 0.203 6.953
185 HH21 ARG 23 1HH2 ARG 23 -10.618 2.325 9.659
186 HH22 ARG 23 2HH2 ARG 23 -11.417 0.900 9.083
187 H ALA 24 H ALA 24 -4.380 5.200 3.709
188 HA ALA 24 HA ALA 24 -4.681 5.059 1.363
189 HB1 ALA 24 3HB ALA 24 -3.900 2.888 0.641
190 HB2 ALA 24 1HB ALA 24 -4.532 2.116 2.098
191 HB3 ALA 24 2HB ALA 24 -3.145 3.197 2.204
192 HA PRO 25 HA PRO 25 -8.770 3.645 0.306
193 HB2 PRO 25 2HB PRO 25 -9.051 1.080 -0.628
194 HB3 PRO 25 1HB PRO 25 -8.412 2.406 -1.620
195 HG2 PRO 25 2HG PRO 25 -6.965 0.234 -0.203
196 HG3 PRO 25 1HG PRO 25 -6.626 0.983 -1.770
197 HD2 PRO 25 2HD PRO 25 -5.265 1.554 0.511
198 HD3 PRO 25 1HD PRO 25 -5.433 2.698 -0.836
199 H ARG 26 H ARG 26 -8.514 0.237 1.002
200 HA ARG 26 HA ARG 26 -10.066 0.634 3.423
201 HB2 ARG 26 2HB ARG 26 -11.088 -1.209 2.626
202 HB3 ARG 26 1HB ARG 26 -9.969 -1.191 1.268
203 HG2 ARG 26 2HG ARG 26 -9.770 -3.352 2.284
204 HG3 ARG 26 1HG ARG 26 -8.330 -2.446 2.754
205 HD2 ARG 26 2HD ARG 26 -8.919 -3.128 4.871
206 HD3 ARG 26 1HD ARG 26 -10.056 -1.768 4.776
207 HE ARG 26 HE ARG 26 -11.822 -3.316 4.258
208 HH11 ARG 26 1HH2 ARG 26 -10.440 -5.206 2.467
209 HH12 ARG 26 2HH2 ARG 26 -10.287 -6.629 3.444
210 HH21 ARG 26 1HH1 ARG 26 -10.895 -4.966 6.426
211 HH22 ARG 26 2HH1 ARG 26 -10.548 -6.493 5.687
212 H ARG 27 H ARG 27 -6.896 -0.353 2.406
213 HA ARG 27 HA ARG 27 -5.015 -0.118 4.105
214 HB2 ARG 27 2HB ARG 27 -7.059 -1.717 5.657
215 HB3 ARG 27 1HB ARG 27 -5.355 -1.763 6.065
216 HG2 ARG 27 2HG ARG 27 -6.679 0.904 5.723
217 HG3 ARG 27 1HG ARG 27 -6.897 0.009 7.229
218 HD2 ARG 27 2HD ARG 27 -4.151 0.488 6.041
219 HD3 ARG 27 1HD ARG 27 -4.898 1.610 7.196
220 HE ARG 27 HE ARG 27 -4.215 -1.236 7.777
221 HH11 ARG 27 1HH2 ARG 27 -6.620 -0.333 9.289
222 HH12 ARG 27 2HH2 ARG 27 -5.928 0.325 10.732
223 HH21 ARG 27 1HH1 ARG 27 -2.733 0.569 9.405
224 HH22 ARG 27 2HH1 ARG 27 -3.726 0.836 10.799
225 H GLN 28 H GLN 28 -3.899 -2.334 5.043
226 HA GLN 28 HA GLN 28 -4.159 -4.371 2.855
227 HB2 GLN 28 2HB GLN 28 -1.845 -2.838 3.956
228 HB3 GLN 28 1HB GLN 28 -1.550 -4.515 3.494
229 HG2 GLN 28 2HG GLN 28 -1.133 -2.941 1.613
230 HG3 GLN 28 1HG GLN 28 -2.432 -4.079 1.250
231 HE21 GLN 28 1HE2 GLN 28 -2.364 -0.997 3.136
232 HE22 GLN 28 2HE2 GLN 28 -3.641 -0.271 2.267
233 H GLY 29 H GLY 29 -5.233 -5.964 4.043
234 HA2 GLY 29 2HA GLY 29 -5.177 -6.637 6.697
235 HA3 GLY 29 1HA GLY 29 -5.241 -7.874 5.444
236 H CYS 30 H CYS 30 -3.009 -8.427 4.474
237 HA CYS 30 HA CYS 30 -1.267 -9.385 6.506
238 HB2 CYS 30 2HB CYS 30 -1.586 -9.982 3.989
239 HB3 CYS 30 1HB CYS 30 -0.410 -8.701 3.697
240 H TRP 31 H TRP 31 0.838 -8.605 7.168
241 HA TRP 31 HA TRP 31 1.402 -5.766 6.433
242 HB2 TRP 31 2HB TRP 31 0.538 -6.816 8.927
243 HB3 TRP 31 1HB TRP 31 2.223 -6.318 9.120
244 HD1 TRP 31 HD TRP 31 -1.169 -4.944 7.969
245 HE1 TRP 31 1HE TRP 31 -1.136 -2.371 8.173
246 HE3 TRP 31 3HE TRP 31 3.689 -4.258 9.303
247 HZ2 TRP 31 2HZ TRP 31 0.739 -0.300 8.822
248 HZ3 TRP 31 3HZ TRP 31 4.586 -1.982 9.707
249 HH2 TRP 31 HH TRP 31 3.114 -0.001 9.468
250 H LYS 32 H LYS 32 2.503 -8.613 5.829
251 HA LYS 32 HA LYS 32 5.367 -7.916 6.367
252 HB2 LYS 32 2HB LYS 32 4.220 -9.875 7.647
253 HB3 LYS 32 1HB LYS 32 4.290 -10.726 6.102
254 HG2 LYS 32 2HG LYS 32 6.796 -9.380 6.932
255 HG3 LYS 32 1HG LYS 32 6.309 -10.758 7.923
256 HD2 LYS 32 2HD LYS 32 5.882 -11.526 5.234
257 HD3 LYS 32 1HD LYS 32 7.470 -10.759 5.283
258 HE2 LYS 32 2HE LYS 32 7.961 -12.219 7.331
259 HE3 LYS 32 1HE LYS 32 6.502 -13.132 6.898
260 HZ1 LYS 32 3HZ LYS 32 9.036 -12.899 5.465
261 HZ2 LYS 32 1HZ LYS 32 7.627 -12.933 4.521
262 HZ3 LYS 32 2HZ LYS 32 7.970 -14.219 5.578
263 H CYS 33 H CYS 33 2.986 -8.271 4.054
264 HA CYS 33 HA CYS 33 5.014 -8.634 1.901
265 HB2 CYS 33 2HB CYS 33 2.364 -10.106 1.987
266 HB3 CYS 33 1HB CYS 33 3.697 -10.364 0.861
267 H GLY 34 H GLY 34 1.493 -8.150 2.455
268 HA2 GLY 34 2HA GLY 34 0.384 -6.052 1.889
269 HA3 GLY 34 1HA GLY 34 1.652 -5.748 0.704
270 H LYS 35 H LYS 35 -1.049 -7.998 1.375
271 HA LYS 35 HA LYS 35 -1.691 -7.936 -1.523
272 HB2 LYS 35 2HB LYS 35 -0.278 -10.022 -0.195
273 HB3 LYS 35 1HB LYS 35 -1.875 -10.643 -0.617
274 HG2 LYS 35 2HG LYS 35 -0.904 -9.100 -2.824
275 HG3 LYS 35 1HG LYS 35 0.360 -10.234 -2.344
276 HD2 LYS 35 2HD LYS 35 -1.154 -11.262 -3.994
277 HD3 LYS 35 1HD LYS 35 -1.270 -12.088 -2.440
278 HE2 LYS 35 2HE LYS 35 -3.515 -11.583 -3.519
279 HE3 LYS 35 1HE LYS 35 -3.325 -10.886 -1.898
280 HZ1 LYS 35 3HZ LYS 35 -2.938 -8.796 -2.734
281 HZ2 LYS 35 1HZ LYS 35 -4.067 -9.373 -3.859
282 HZ3 LYS 35 2HZ LYS 35 -2.414 -9.369 -4.246
283 H THR 36 H THR 36 -2.806 -7.653 1.548
284 HA THR 36 HA THR 36 -4.946 -7.765 2.499
285 HB THR 36 HB THR 36 -6.605 -6.940 1.039
286 HG1 THR 36 1HG THR 36 -5.257 -8.046 -1.175
287 HG21 THR 36 3HG2 THR 36 -5.494 -5.160 0.185
288 HG22 THR 36 1HG2 THR 36 -4.479 -6.176 -0.839
289 HG23 THR 36 2HG2 THR 36 -4.053 -5.927 0.854
290 H GLY 37 H GLY 37 -7.035 -9.121 2.522
291 HA2 GLY 37 2HA GLY 37 -8.108 -11.213 2.496
292 HA3 GLY 37 1HA GLY 37 -7.173 -11.591 1.048
293 H HIS 38 H HIS 38 -4.714 -11.911 1.601
294 HA HIS 38 HA HIS 38 -4.583 -14.069 3.592
295 HB2 HIS 38 2HB HIS 38 -2.906 -14.758 2.220
296 HB3 HIS 38 1HB HIS 38 -3.456 -13.488 1.134
297 HD1 HIS 38 1HD HIS 38 -1.472 -12.223 0.312
298 HD2 HIS 38 2HD HIS 38 -1.083 -13.287 4.316
299 HE1 HIS 38 1HE HIS 38 0.743 -11.265 1.088
300 H VAL 39 H VAL 39 -3.234 -14.012 5.479
301 HA VAL 39 HA VAL 39 -2.578 -11.234 6.383
302 HB VAL 39 HB VAL 39 -2.954 -12.162 8.633
303 HG11 VAL 39 1HG1 VAL 39 -4.900 -12.008 6.516
304 HG12 VAL 39 2HG1 VAL 39 -5.104 -11.636 8.228
305 HG13 VAL 39 3HG1 VAL 39 -5.367 -13.280 7.646
306 HG21 VAL 39 3HG2 VAL 39 -3.667 -14.483 8.916
307 HG22 VAL 39 1HG2 VAL 39 -2.099 -14.453 8.109
308 HG23 VAL 39 2HG2 VAL 39 -3.565 -14.755 7.177
309 H MET 40 H MET 40 -0.654 -10.982 7.727
310 HA MET 40 HA MET 40 1.759 -11.860 6.735
311 HB2 MET 40 2HB MET 40 2.381 -10.469 8.402
312 HB3 MET 40 1HB MET 40 0.728 -10.501 9.004
313 HG2 MET 40 2HG MET 40 1.392 -12.687 10.201
314 HG3 MET 40 1HG MET 40 3.059 -12.230 9.846
315 HE1 MET 40 3HE MET 40 4.375 -10.167 11.383
316 HE2 MET 40 1HE MET 40 4.128 -11.909 11.566
317 HE3 MET 40 2HE MET 40 3.894 -10.835 12.942
318 H ALA 41 H ALA 41 -0.384 -13.652 8.881
319 HA ALA 41 HA ALA 41 1.493 -15.696 9.684
320 HB1 ALA 41 3HB ALA 41 -1.145 -16.708 9.646
321 HB2 ALA 41 1HB ALA 41 -1.294 -14.980 9.961
322 HB3 ALA 41 2HB ALA 41 -0.304 -15.985 11.019
323 H LYS 42 H LYS 42 0.079 -15.080 6.647
324 HA LYS 42 HA LYS 42 0.885 -17.767 5.701
325 HB2 LYS 42 2HB LYS 42 -1.772 -16.976 6.501
326 HB3 LYS 42 1HB LYS 42 -1.727 -17.397 4.777
327 HG2 LYS 42 2HG LYS 42 -0.366 -19.173 6.790
328 HG3 LYS 42 1HG LYS 42 -2.112 -19.293 6.570
329 HD2 LYS 42 2HD LYS 42 -1.858 -19.810 4.228
330 HD3 LYS 42 1HD LYS 42 -0.132 -19.448 4.282
331 HE2 LYS 42 2HE LYS 42 0.371 -21.522 5.067
332 HE3 LYS 42 1HE LYS 42 -0.940 -21.470 6.260
333 HZ1 LYS 42 3HZ LYS 42 -1.113 -22.148 3.384
334 HZ2 LYS 42 1HZ LYS 42 -2.479 -21.691 4.278
335 HZ3 LYS 42 2HZ LYS 42 -1.606 -23.081 4.715
336 H CYS 43 H CYS 43 2.127 -15.623 4.715
337 HA CYS 43 HA CYS 43 0.633 -14.539 2.406
338 HB2 CYS 43 2HB CYS 43 3.474 -14.179 3.356
339 HB3 CYS 43 1HB CYS 43 2.616 -13.156 2.206
340 HA PRO 44 HA PRO 44 2.450 -17.590 -0.241
341 HB2 PRO 44 2HB PRO 44 1.552 -16.571 -2.610
342 HB3 PRO 44 1HB PRO 44 0.498 -17.423 -1.466
343 HG2 PRO 44 2HG PRO 44 0.682 -14.547 -2.065
344 HG3 PRO 44 1HG PRO 44 -0.680 -15.491 -1.451
345 HD2 PRO 44 2HD PRO 44 1.039 -13.816 0.040
346 HD3 PRO 44 1HD PRO 44 -0.186 -14.932 0.679
347 H GLU 45 H GLU 45 4.007 -15.076 0.551
348 HA GLU 45 HA GLU 45 5.942 -13.928 -0.148
349 HB2 GLU 45 2HB GLU 45 5.951 -16.685 -1.052
350 HB3 GLU 45 1HB GLU 45 6.885 -15.668 -2.151
351 HG2 GLU 45 2HG GLU 45 7.726 -14.688 0.238
352 HG3 GLU 45 1HG GLU 45 7.408 -16.366 0.682
353 H ARG 46 H ARG 46 3.438 -13.290 -1.506
354 HA ARG 46 HA ARG 46 2.599 -12.552 -3.641
355 HB2 ARG 46 2HB ARG 46 4.523 -10.526 -3.987
356 HB3 ARG 46 1HB ARG 46 3.014 -10.409 -3.093
357 HG2 ARG 46 2HG ARG 46 4.057 -10.694 -1.033
358 HG3 ARG 46 1HG ARG 46 5.402 -11.600 -1.718
359 HD2 ARG 46 2HD ARG 46 5.494 -9.050 -2.937
360 HD3 ARG 46 1HD ARG 46 5.260 -8.776 -1.198
361 HE ARG 46 HE ARG 46 7.339 -9.875 -0.779
362 HH11 ARG 46 1HH1 ARG 46 6.203 -11.305 -3.593
363 HH12 ARG 46 2HH1 ARG 46 7.745 -11.433 -4.364
364 HH21 ARG 46 1HH2 ARG 46 9.399 -9.550 -1.969
365 HH22 ARG 46 2HH2 ARG 46 9.554 -10.443 -3.445
366 H GLN 47 H GLN 47 3.005 -14.181 -5.212
367 HA GLN 47 HA GLN 47 5.638 -14.274 -6.544
368 HB2 GLN 47 2HB GLN 47 4.614 -16.154 -7.729
369 HB3 GLN 47 1HB GLN 47 4.246 -16.286 -6.009
370 HG2 GLN 47 2HG GLN 47 2.034 -15.319 -6.369
371 HG3 GLN 47 1HG GLN 47 2.397 -15.057 -8.071
372 HE21 GLN 47 1HE2 GLN 47 0.982 -16.553 -9.080
373 HE22 GLN 47 2HE2 GLN 47 0.983 -18.219 -8.754
374 H ALA 48 H ALA 48 2.393 -13.039 -7.122
375 HA ALA 48 HA ALA 48 1.484 -11.875 -8.989
376 HB1 ALA 48 3HB ALA 48 3.096 -10.386 -7.658
377 HB2 ALA 48 1HB ALA 48 2.736 -9.863 -9.303
378 HB3 ALA 48 2HB ALA 48 4.261 -10.675 -8.949
379 H GLY 49 H GLY 49 2.871 -14.404 -9.705
380 HA2 GLY 49 2HA GLY 49 2.767 -14.974 -12.194
381 HA3 GLY 49 1HA GLY 49 3.924 -13.658 -12.399
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 22.820 6.348 1.437
2 H2 ALA 1 2HT ALA 1 23.121 6.930 -0.131
3 H3 ALA 1 3HT ALA 1 23.842 5.484 0.396
4 HA ALA 1 HA ALA 1 21.820 4.306 0.339
5 HB1 ALA 1 3HB ALA 1 20.847 7.107 0.589
6 HB2 ALA 1 1HB ALA 1 20.268 5.644 1.386
7 HB3 ALA 1 2HB ALA 1 19.794 5.988 -0.277
8 H GLN 2 H GLN 2 21.450 3.325 -1.625
9 HA GLN 2 HA GLN 2 22.396 4.648 -4.073
10 HB2 GLN 2 2HB GLN 2 22.497 2.135 -3.144
11 HB3 GLN 2 1HB GLN 2 20.988 2.014 -4.050
12 HG2 GLN 2 2HG GLN 2 22.050 2.643 -6.092
13 HG3 GLN 2 1HG GLN 2 23.511 3.166 -5.252
14 HE21 GLN 2 1HE2 GLN 2 25.107 1.670 -5.857
15 HE22 GLN 2 2HE2 GLN 2 24.922 -0.015 -5.784
16 H GLN 3 H GLN 3 21.027 5.945 -5.231
17 HA GLN 3 HA GLN 3 19.055 6.695 -6.297
18 HB2 GLN 3 2HB GLN 3 19.068 3.831 -6.203
19 HB3 GLN 3 1HB GLN 3 17.412 4.385 -5.950
20 HG2 GLN 3 2HG GLN 3 18.789 5.882 -8.054
21 HG3 GLN 3 1HG GLN 3 18.673 4.158 -8.410
22 HE21 GLN 3 1HE2 GLN 3 17.115 6.607 -9.489
23 HE22 GLN 3 2HE2 GLN 3 15.487 6.159 -9.306
24 H ARG 4 H ARG 4 17.703 8.113 -5.277
25 HA ARG 4 HA ARG 4 16.787 7.628 -2.528
26 HB2 ARG 4 2HB ARG 4 17.587 9.820 -3.444
27 HB3 ARG 4 1HB ARG 4 16.180 9.852 -4.506
28 HG2 ARG 4 2HG ARG 4 14.669 10.012 -2.673
29 HG3 ARG 4 1HG ARG 4 15.916 9.568 -1.509
30 HD2 ARG 4 2HD ARG 4 16.910 11.678 -1.561
31 HD3 ARG 4 1HD ARG 4 16.311 12.028 -3.195
32 HE ARG 4 HE ARG 4 14.513 11.906 -0.798
33 HH11 ARG 4 1HH1 ARG 4 15.913 14.121 -2.811
34 HH12 ARG 4 2HH1 ARG 4 14.442 14.830 -3.387
35 HH21 ARG 4 1HH2 ARG 4 12.409 12.393 -1.991
36 HH22 ARG 4 2HH2 ARG 4 12.458 13.852 -2.922
37 H LYS 5 H LYS 5 15.517 5.632 -3.322
38 HA LYS 5 HA LYS 5 13.276 5.715 -5.028
39 HB2 LYS 5 2HB LYS 5 12.513 3.807 -3.539
40 HB3 LYS 5 1HB LYS 5 14.174 3.664 -4.118
41 HG2 LYS 5 2HG LYS 5 14.969 3.693 -2.011
42 HG3 LYS 5 1HG LYS 5 14.114 5.199 -1.670
43 HD2 LYS 5 2HD LYS 5 12.635 4.081 -0.397
44 HD3 LYS 5 1HD LYS 5 12.188 3.083 -1.782
45 HE2 LYS 5 2HE LYS 5 13.091 1.818 0.262
46 HE3 LYS 5 1HE LYS 5 13.911 1.469 -1.273
47 HZ1 LYS 5 3HZ LYS 5 15.745 2.611 -0.667
48 HZ2 LYS 5 1HZ LYS 5 15.210 2.269 0.905
49 HZ3 LYS 5 2HZ LYS 5 14.873 3.780 0.207
50 H VAL 6 H VAL 6 11.282 6.674 -4.846
51 HA VAL 6 HA VAL 6 10.639 8.476 -2.699
52 HB VAL 6 HB VAL 6 8.764 7.131 -4.667
53 HG11 VAL 6 1HG1 VAL 6 8.191 8.894 -2.682
54 HG12 VAL 6 2HG1 VAL 6 7.300 8.824 -4.203
55 HG13 VAL 6 3HG1 VAL 6 8.585 10.012 -3.988
56 HG21 VAL 6 3HG2 VAL 6 9.392 9.256 -6.045
57 HG22 VAL 6 1HG2 VAL 6 10.493 7.880 -6.072
58 HG23 VAL 6 2HG2 VAL 6 10.847 9.272 -5.047
59 H ILE 7 H ILE 7 10.556 7.492 -0.680
60 HA ILE 7 HA ILE 7 10.000 5.130 0.340
61 HB ILE 7 HB ILE 7 9.961 7.658 1.267
62 HG12 ILE 7 2HG1 ILE 7 10.478 5.461 2.445
63 HG13 ILE 7 1HG1 ILE 7 9.754 6.713 3.456
64 HG21 ILE 7 1HG2 ILE 7 7.596 8.019 0.638
65 HG22 ILE 7 2HG2 ILE 7 7.817 8.102 2.386
66 HG23 ILE 7 3HG2 ILE 7 7.128 6.654 1.651
67 HD11 ILE 7 3HD1 ILE 7 8.800 4.214 3.425
68 HD12 ILE 7 1HD1 ILE 7 7.904 4.847 2.045
69 HD13 ILE 7 2HD1 ILE 7 7.739 5.609 3.627
70 H ARG 8 H ARG 8 8.527 3.517 0.041
71 HA ARG 8 HA ARG 8 5.933 4.115 -1.287
72 HB2 ARG 8 2HB ARG 8 7.905 2.137 -1.462
73 HB3 ARG 8 1HB ARG 8 6.556 1.336 -0.658
74 HG2 ARG 8 2HG ARG 8 5.071 2.358 -2.493
75 HG3 ARG 8 1HG ARG 8 6.573 2.705 -3.350
76 HD2 ARG 8 2HD ARG 8 5.599 0.515 -4.051
77 HD3 ARG 8 1HD ARG 8 7.175 0.298 -3.266
78 HE ARG 8 HE ARG 8 4.978 0.251 -1.358
79 HH11 ARG 8 1HH2 ARG 8 6.458 -1.590 -3.861
80 HH12 ARG 8 2HH2 ARG 8 6.300 -3.101 -3.028
81 HH21 ARG 8 1HH1 ARG 8 4.912 -1.692 -0.181
82 HH22 ARG 8 2HH1 ARG 8 5.427 -3.158 -0.946
83 H CYS 9 H CYS 9 4.048 4.151 -0.110
84 HA CYS 9 HA CYS 9 4.088 3.534 2.759
85 HB2 CYS 9 2HB CYS 9 1.873 4.509 2.674
86 HB3 CYS 9 1HB CYS 9 2.911 5.467 1.617
87 H TRP 10 H TRP 10 3.189 1.693 3.700
88 HA TRP 10 HA TRP 10 2.673 -0.604 2.018
89 HB2 TRP 10 2HB TRP 10 3.348 -1.546 3.951
90 HB3 TRP 10 1HB TRP 10 3.276 0.022 4.740
91 HD1 TRP 10 HD TRP 10 0.465 -2.380 3.560
92 HE1 TRP 10 1HE TRP 10 -1.151 -2.736 5.534
93 HE3 TRP 10 3HE TRP 10 2.841 0.382 7.078
94 HZ2 TRP 10 2HZ TRP 10 -1.379 -1.944 8.292
95 HZ3 TRP 10 3HZ TRP 10 1.928 0.578 9.382
96 HH2 TRP 10 HH TRP 10 -0.180 -0.583 9.991
97 H ASN 11 H ASN 11 0.577 1.161 4.322
98 HA ASN 11 HA ASN 11 -1.846 -0.020 4.092
99 HB2 ASN 11 2HB ASN 11 -2.679 2.006 4.823
100 HB3 ASN 11 1HB ASN 11 -0.959 2.326 5.023
101 HD21 ASN 11 1HD2 ASN 11 -3.685 2.822 2.756
102 HD22 ASN 11 2HD2 ASN 11 -3.019 4.189 2.002
103 H CYS 12 H CYS 12 -0.431 2.003 1.519
104 HA CYS 12 HA CYS 12 -2.630 1.057 -0.287
105 HB2 CYS 12 2HB CYS 12 -2.463 3.187 -1.382
106 HB3 CYS 12 1HB CYS 12 -2.467 3.515 0.351
107 H GLY 13 H GLY 13 0.771 1.153 0.299
108 HA2 GLY 13 2HA GLY 13 2.567 0.214 -0.884
109 HA3 GLY 13 1HA GLY 13 1.367 -0.683 -1.813
110 H LYS 14 H LYS 14 2.904 2.526 -1.576
111 HA LYS 14 HA LYS 14 3.179 2.672 -4.473
112 HB2 LYS 14 2HB LYS 14 0.712 3.314 -3.477
113 HB3 LYS 14 1HB LYS 14 1.505 4.890 -3.468
114 HG2 LYS 14 2HG LYS 14 1.375 3.026 -5.857
115 HG3 LYS 14 1HG LYS 14 0.354 4.445 -5.625
116 HD2 LYS 14 2HD LYS 14 2.052 5.914 -6.080
117 HD3 LYS 14 1HD LYS 14 3.284 4.875 -5.365
118 HE2 LYS 14 2HE LYS 14 2.327 3.435 -7.591
119 HE3 LYS 14 1HE LYS 14 2.521 5.108 -8.152
120 HZ1 LYS 14 3HZ LYS 14 4.668 4.354 -8.316
121 HZ2 LYS 14 1HZ LYS 14 4.527 3.295 -7.001
122 HZ3 LYS 14 2HZ LYS 14 4.687 4.964 -6.732
123 H GLU 15 H GLU 15 5.089 3.742 -4.712
124 HA GLU 15 HA GLU 15 6.573 5.034 -2.729
125 HB2 GLU 15 2HB GLU 15 8.006 5.465 -4.493
126 HB3 GLU 15 1HB GLU 15 6.946 4.301 -5.280
127 HG2 GLU 15 2HG GLU 15 5.527 6.413 -5.915
128 HG3 GLU 15 1HG GLU 15 7.020 7.293 -5.587
129 H GLY 16 H GLY 16 6.684 7.171 -1.960
130 HA2 GLY 16 2HA GLY 16 6.011 9.584 -2.779
131 HA3 GLY 16 1HA GLY 16 4.385 8.908 -2.702
132 H HIS 17 H HIS 17 4.710 7.316 -0.355
133 HA HIS 17 HA HIS 17 5.663 9.090 1.800
134 HB2 HIS 17 2HB HIS 17 3.300 9.160 2.757
135 HB3 HIS 17 1HB HIS 17 3.548 10.120 1.298
136 HD1 HIS 17 1HD HIS 17 2.667 9.059 -0.976
137 HD2 HIS 17 2HD HIS 17 1.466 7.061 2.479
138 HE1 HIS 17 1HE HIS 17 0.774 7.521 -1.660
139 H SER 18 H SER 18 4.687 8.005 4.001
140 HA SER 18 HA SER 18 5.286 5.085 3.737
141 HB2 SER 18 2HB SER 18 5.403 5.728 6.406
142 HB3 SER 18 1HB SER 18 6.780 5.800 5.304
143 HG SER 18 HG SER 18 5.231 7.833 6.395
144 H ALA 19 H ALA 19 4.074 3.685 5.380
145 HA ALA 19 HA ALA 19 1.221 4.049 5.086
146 HB1 ALA 19 3HB ALA 19 1.166 1.896 5.923
147 HB2 ALA 19 1HB ALA 19 2.371 2.239 7.162
148 HB3 ALA 19 2HB ALA 19 2.874 1.961 5.496
149 H ARG 20 H ARG 20 3.560 4.898 7.563
150 HA ARG 20 HA ARG 20 1.841 5.241 9.809
151 HB2 ARG 20 2HB ARG 20 4.195 5.309 10.119
152 HB3 ARG 20 1HB ARG 20 4.411 6.502 8.838
153 HG2 ARG 20 2HG ARG 20 3.493 8.251 10.168
154 HG3 ARG 20 1HG ARG 20 2.834 7.114 11.344
155 HD2 ARG 20 2HD ARG 20 4.790 7.047 12.499
156 HD3 ARG 20 1HD ARG 20 5.735 6.819 11.013
157 HE ARG 20 HE ARG 20 4.682 9.506 11.821
158 HH11 ARG 20 1HH1 ARG 20 7.518 8.025 12.280
159 HH12 ARG 20 2HH1 ARG 20 8.472 8.996 11.209
160 HH21 ARG 20 1HH2 ARG 20 5.732 10.506 9.710
161 HH22 ARG 20 2HH2 ARG 20 7.461 10.403 9.754
162 H GLN 21 H GLN 21 2.055 7.001 6.851
163 HA GLN 21 HA GLN 21 0.573 9.322 8.032
164 HB2 GLN 21 2HB GLN 21 2.513 10.093 6.946
165 HB3 GLN 21 1HB GLN 21 2.398 8.876 5.676
166 HG2 GLN 21 2HG GLN 21 0.722 10.042 4.526
167 HG3 GLN 21 1HG GLN 21 0.244 10.957 5.957
168 HE21 GLN 21 1HE2 GLN 21 0.568 13.031 4.869
169 HE22 GLN 21 2HE2 GLN 21 2.134 13.609 4.516
170 H CYS 22 H CYS 22 0.629 7.191 5.151
171 HA CYS 22 HA CYS 22 -2.156 7.961 4.476
172 HB2 CYS 22 2HB CYS 22 -0.315 7.761 2.795
173 HB3 CYS 22 1HB CYS 22 -0.206 6.040 3.165
174 H ARG 23 H ARG 23 -3.835 6.863 5.079
175 HA ARG 23 HA ARG 23 -3.540 4.014 5.932
176 HB2 ARG 23 2HB ARG 23 -3.804 5.253 7.913
177 HB3 ARG 23 1HB ARG 23 -4.830 6.453 7.135
178 HG2 ARG 23 2HG ARG 23 -5.991 4.869 8.734
179 HG3 ARG 23 1HG ARG 23 -6.700 4.990 7.128
180 HD2 ARG 23 2HD ARG 23 -6.520 2.718 6.997
181 HD3 ARG 23 1HD ARG 23 -4.760 2.937 6.934
182 HE ARG 23 HE ARG 23 -4.648 2.359 9.229
183 HH11 ARG 23 1HH1 ARG 23 -7.306 0.900 8.515
184 HH12 ARG 23 2HH1 ARG 23 -8.272 1.353 9.879
185 HH21 ARG 23 1HH2 ARG 23 -6.132 3.882 10.895
186 HH22 ARG 23 2HH2 ARG 23 -7.608 3.038 11.223
187 H ALA 24 H ALA 24 -4.237 5.236 3.342
188 HA ALA 24 HA ALA 24 -6.789 5.562 2.502
189 HB1 ALA 24 3HB ALA 24 -6.125 4.239 0.493
190 HB2 ALA 24 1HB ALA 24 -4.751 3.607 1.401
191 HB3 ALA 24 2HB ALA 24 -4.850 5.329 1.037
192 HA PRO 25 HA PRO 25 -9.400 2.280 3.680
193 HB2 PRO 25 2HB PRO 25 -11.018 2.049 1.486
194 HB3 PRO 25 1HB PRO 25 -11.120 3.395 2.640
195 HG2 PRO 25 2HG PRO 25 -9.777 3.281 -0.022
196 HG3 PRO 25 1HG PRO 25 -10.750 4.577 0.695
197 HD2 PRO 25 2HD PRO 25 -8.049 4.655 0.639
198 HD3 PRO 25 1HD PRO 25 -8.998 5.378 1.960
199 H ARG 26 H ARG 26 -7.970 1.864 0.435
200 HA ARG 26 HA ARG 26 -8.597 -0.821 0.059
201 HB2 ARG 26 2HB ARG 26 -6.940 -0.748 -1.629
202 HB3 ARG 26 1HB ARG 26 -7.508 0.914 -1.486
203 HG2 ARG 26 2HG ARG 26 -5.115 -0.093 0.059
204 HG3 ARG 26 1HG ARG 26 -4.972 0.572 -1.566
205 HD2 ARG 26 2HD ARG 26 -6.146 2.010 0.837
206 HD3 ARG 26 1HD ARG 26 -4.593 2.361 0.053
207 HE ARG 26 HE ARG 26 -7.268 2.753 -1.217
208 HH11 ARG 26 1HH2 ARG 26 -4.254 2.169 -2.372
209 HH12 ARG 26 2HH2 ARG 26 -4.011 3.708 -3.127
210 HH21 ARG 26 1HH1 ARG 26 -6.796 5.163 -1.656
211 HH22 ARG 26 2HH1 ARG 26 -5.451 5.405 -2.720
212 H ARG 27 H ARG 27 -6.569 0.550 2.448
213 HA ARG 27 HA ARG 27 -4.447 -0.953 3.035
214 HB2 ARG 27 2HB ARG 27 -6.629 0.251 4.541
215 HB3 ARG 27 1HB ARG 27 -5.916 -1.107 5.409
216 HG2 ARG 27 2HG ARG 27 -3.686 0.194 4.452
217 HG3 ARG 27 1HG ARG 27 -4.775 1.536 4.798
218 HD2 ARG 27 2HD ARG 27 -3.312 0.813 6.763
219 HD3 ARG 27 1HD ARG 27 -5.055 0.802 7.100
220 HE ARG 27 HE ARG 27 -3.782 -1.703 6.115
221 HH11 ARG 27 1HH2 ARG 27 -4.737 0.134 8.840
222 HH12 ARG 27 2HH2 ARG 27 -5.375 -1.220 9.712
223 HH21 ARG 27 1HH1 ARG 27 -4.872 -3.467 7.120
224 HH22 ARG 27 2HH1 ARG 27 -5.450 -3.256 8.740
225 H GLN 28 H GLN 28 -3.932 -3.084 3.558
226 HA GLN 28 HA GLN 28 -6.196 -5.029 3.828
227 HB2 GLN 28 2HB GLN 28 -4.666 -6.528 2.387
228 HB3 GLN 28 1HB GLN 28 -5.483 -5.202 1.562
229 HG2 GLN 28 2HG GLN 28 -2.834 -4.568 2.751
230 HG3 GLN 28 1HG GLN 28 -2.825 -5.636 1.347
231 HE21 GLN 28 1HE2 GLN 28 -2.550 -2.437 2.090
232 HE22 GLN 28 2HE2 GLN 28 -3.228 -1.749 0.683
233 H GLY 29 H GLY 29 -5.936 -5.844 5.855
234 HA2 GLY 29 2HA GLY 29 -4.046 -5.784 7.730
235 HA3 GLY 29 1HA GLY 29 -4.855 -7.317 7.417
236 H CYS 30 H CYS 30 -3.788 -8.825 5.891
237 HA CYS 30 HA CYS 30 -0.836 -8.618 6.120
238 HB2 CYS 30 2HB CYS 30 -0.888 -10.967 5.663
239 HB3 CYS 30 1HB CYS 30 -2.281 -10.658 6.695
240 H TRP 31 H TRP 31 0.414 -7.966 4.394
241 HA TRP 31 HA TRP 31 -0.929 -7.518 1.787
242 HB2 TRP 31 2HB TRP 31 1.924 -6.852 2.085
243 HB3 TRP 31 1HB TRP 31 0.597 -5.857 1.503
244 HD1 TRP 31 HD TRP 31 -1.232 -5.420 3.817
245 HE1 TRP 31 1HE TRP 31 -0.474 -4.324 6.027
246 HE3 TRP 31 3HE TRP 31 3.743 -6.276 3.499
247 HZ2 TRP 31 2HZ TRP 31 1.979 -3.853 7.455
248 HZ3 TRP 31 3HZ TRP 31 5.296 -5.507 5.283
249 HH2 TRP 31 HH TRP 31 4.413 -4.301 7.264
250 H LYS 32 H LYS 32 1.436 -9.588 3.292
251 HA LYS 32 HA LYS 32 2.837 -10.530 0.996
252 HB2 LYS 32 2HB LYS 32 2.795 -10.909 3.746
253 HB3 LYS 32 1HB LYS 32 2.355 -12.494 3.111
254 HG2 LYS 32 2HG LYS 32 4.685 -10.956 1.973
255 HG3 LYS 32 1HG LYS 32 4.874 -11.975 3.401
256 HD2 LYS 32 2HD LYS 32 4.199 -13.935 2.204
257 HD3 LYS 32 1HD LYS 32 3.649 -12.982 0.825
258 HE2 LYS 32 2HE LYS 32 5.931 -12.322 0.294
259 HE3 LYS 32 1HE LYS 32 6.538 -13.107 1.765
260 HZ1 LYS 32 3HZ LYS 32 4.958 -14.982 0.483
261 HZ2 LYS 32 1HZ LYS 32 6.651 -14.989 0.611
262 HZ3 LYS 32 2HZ LYS 32 5.904 -14.279 -0.741
263 H CYS 33 H CYS 33 -0.459 -10.943 1.767
264 HA CYS 33 HA CYS 33 -0.575 -13.301 -0.078
265 HB2 CYS 33 2HB CYS 33 -2.506 -14.027 1.443
266 HB3 CYS 33 1HB CYS 33 -0.884 -14.145 2.127
267 H GLY 34 H GLY 34 -2.468 -10.613 1.366
268 HA2 GLY 34 2HA GLY 34 -3.635 -9.093 -0.219
269 HA3 GLY 34 1HA GLY 34 -3.986 -10.511 -1.209
270 H LYS 35 H LYS 35 -4.353 -9.828 2.283
271 HA LYS 35 HA LYS 35 -7.283 -10.339 1.994
272 HB2 LYS 35 2HB LYS 35 -5.219 -11.770 3.647
273 HB3 LYS 35 1HB LYS 35 -6.872 -11.663 4.246
274 HG2 LYS 35 2HG LYS 35 -7.233 -12.378 1.602
275 HG3 LYS 35 1HG LYS 35 -5.784 -13.278 2.052
276 HD2 LYS 35 2HD LYS 35 -6.886 -14.475 3.728
277 HD3 LYS 35 1HD LYS 35 -8.154 -13.261 3.899
278 HE2 LYS 35 2HE LYS 35 -7.876 -14.723 1.284
279 HE3 LYS 35 1HE LYS 35 -8.708 -15.505 2.642
280 HZ1 LYS 35 3HZ LYS 35 -10.074 -13.978 1.117
281 HZ2 LYS 35 1HZ LYS 35 -9.292 -12.703 1.918
282 HZ3 LYS 35 2HZ LYS 35 -10.249 -13.798 2.798
283 H THR 36 H THR 36 -7.785 -10.159 4.829
284 HA THR 36 HA THR 36 -6.719 -7.439 5.485
285 HB THR 36 HB THR 36 -8.987 -7.475 4.346
286 HG1 THR 36 1HG THR 36 -9.938 -6.187 6.124
287 HG21 THR 36 3HG2 THR 36 -10.787 -8.554 5.301
288 HG22 THR 36 1HG2 THR 36 -10.136 -8.413 6.935
289 HG23 THR 36 2HG2 THR 36 -9.496 -9.631 5.832
290 H GLY 37 H GLY 37 -7.528 -6.863 7.831
291 HA2 GLY 37 2HA GLY 37 -7.447 -7.351 10.120
292 HA3 GLY 37 1HA GLY 37 -8.132 -8.923 9.708
293 H HIS 38 H HIS 38 -6.781 -10.699 9.652
294 HA HIS 38 HA HIS 38 -4.424 -10.849 11.090
295 HB2 HIS 38 2HB HIS 38 -4.789 -12.995 10.476
296 HB3 HIS 38 1HB HIS 38 -5.973 -12.438 9.301
297 HD1 HIS 38 1HD HIS 38 -5.449 -13.210 6.996
298 HD2 HIS 38 2HD HIS 38 -1.984 -12.629 9.240
299 HE1 HIS 38 1HE HIS 38 -3.509 -13.774 5.471
300 H VAL 39 H VAL 39 -2.159 -10.837 10.490
301 HA VAL 39 HA VAL 39 -1.494 -9.526 7.886
302 HB VAL 39 HB VAL 39 -1.775 -7.893 9.775
303 HG11 VAL 39 1HG1 VAL 39 -0.856 -8.296 11.781
304 HG12 VAL 39 2HG1 VAL 39 0.745 -8.417 11.050
305 HG13 VAL 39 3HG1 VAL 39 -0.283 -9.845 11.163
306 HG21 VAL 39 3HG2 VAL 39 -0.020 -7.815 7.779
307 HG22 VAL 39 1HG2 VAL 39 1.127 -7.877 9.117
308 HG23 VAL 39 2HG2 VAL 39 -0.052 -6.568 9.026
309 H MET 40 H MET 40 1.107 -9.408 7.897
310 HA MET 40 HA MET 40 2.164 -11.998 7.654
311 HB2 MET 40 2HB MET 40 3.203 -9.916 6.818
312 HB3 MET 40 1HB MET 40 3.533 -9.407 8.474
313 HG2 MET 40 2HG MET 40 4.544 -12.085 8.005
314 HG3 MET 40 1HG MET 40 5.208 -10.949 6.830
315 HE1 MET 40 3HE MET 40 5.980 -8.897 7.193
316 HE2 MET 40 1HE MET 40 7.313 -8.632 8.326
317 HE3 MET 40 2HE MET 40 5.702 -8.024 8.698
318 H ALA 41 H ALA 41 1.616 -10.069 10.486
319 HA ALA 41 HA ALA 41 3.307 -11.130 12.482
320 HB1 ALA 41 3HB ALA 41 1.438 -9.335 12.553
321 HB2 ALA 41 1HB ALA 41 1.570 -10.387 13.963
322 HB3 ALA 41 2HB ALA 41 0.325 -10.688 12.752
323 H LYS 42 H LYS 42 0.407 -12.384 11.029
324 HA LYS 42 HA LYS 42 0.649 -14.863 12.666
325 HB2 LYS 42 2HB LYS 42 -0.862 -13.805 13.995
326 HB3 LYS 42 1HB LYS 42 -0.859 -12.451 12.898
327 HG2 LYS 42 2HG LYS 42 -3.083 -13.055 12.932
328 HG3 LYS 42 1HG LYS 42 -2.477 -13.788 11.451
329 HD2 LYS 42 2HD LYS 42 -3.134 -15.818 12.190
330 HD3 LYS 42 1HD LYS 42 -2.069 -15.649 13.586
331 HE2 LYS 42 2HE LYS 42 -3.870 -14.320 14.735
332 HE3 LYS 42 1HE LYS 42 -4.945 -14.697 13.373
333 HZ1 LYS 42 3HZ LYS 42 -4.730 -16.289 15.468
334 HZ2 LYS 42 1HZ LYS 42 -3.451 -16.913 14.544
335 HZ3 LYS 42 2HZ LYS 42 -5.025 -16.883 13.904
336 H CYS 43 H CYS 43 0.726 -13.957 9.668
337 HA CYS 43 HA CYS 43 -1.520 -14.961 8.263
338 HB2 CYS 43 2HB CYS 43 1.062 -13.928 7.843
339 HB3 CYS 43 1HB CYS 43 1.045 -15.479 7.008
340 HA PRO 44 HA PRO 44 -1.034 -19.342 8.370
341 HB2 PRO 44 2HB PRO 44 -0.494 -20.268 5.854
342 HB3 PRO 44 1HB PRO 44 -2.077 -19.625 6.332
343 HG2 PRO 44 2HG PRO 44 0.082 -18.347 4.756
344 HG3 PRO 44 1HG PRO 44 -1.673 -18.184 4.613
345 HD2 PRO 44 2HD PRO 44 -0.009 -16.345 5.806
346 HD3 PRO 44 1HD PRO 44 -1.753 -16.475 6.113
347 H GLU 45 H GLU 45 1.673 -17.600 7.134
348 HA GLU 45 HA GLU 45 3.549 -19.870 7.263
349 HB2 GLU 45 2HB GLU 45 3.964 -16.878 6.941
350 HB3 GLU 45 1HB GLU 45 5.159 -18.132 6.601
351 HG2 GLU 45 2HG GLU 45 2.501 -18.343 5.255
352 HG3 GLU 45 1HG GLU 45 3.626 -17.118 4.666
353 H ARG 46 H ARG 46 2.007 -18.078 9.566
354 HA ARG 46 HA ARG 46 2.580 -17.285 11.735
355 HB2 ARG 46 2HB ARG 46 4.020 -19.365 12.754
356 HB3 ARG 46 1HB ARG 46 2.277 -19.413 12.512
357 HG2 ARG 46 2HG ARG 46 2.610 -20.449 10.294
358 HG3 ARG 46 1HG ARG 46 4.357 -20.395 10.532
359 HD2 ARG 46 2HD ARG 46 3.110 -22.621 11.096
360 HD3 ARG 46 1HD ARG 46 4.279 -22.008 12.280
361 HE ARG 46 HE ARG 46 2.472 -21.525 13.730
362 HH11 ARG 46 1HH2 ARG 46 1.189 -23.445 11.451
363 HH12 ARG 46 2HH2 ARG 46 -0.390 -22.733 11.411
364 HH21 ARG 46 1HH1 ARG 46 0.529 -19.951 13.267
365 HH22 ARG 46 2HH1 ARG 46 -0.763 -20.753 12.438
366 H GLN 47 H GLN 47 4.070 -15.586 10.773
367 HA GLN 47 HA GLN 47 6.960 -16.212 11.246
368 HB2 GLN 47 2HB GLN 47 5.462 -14.151 9.611
369 HB3 GLN 47 1HB GLN 47 7.202 -14.058 9.878
370 HG2 GLN 47 2HG GLN 47 7.562 -16.178 8.799
371 HG3 GLN 47 1HG GLN 47 5.830 -16.505 8.740
372 HE21 GLN 47 1HE2 GLN 47 8.086 -15.931 6.588
373 HE22 GLN 47 2HE2 GLN 47 7.320 -14.830 5.548
374 H ALA 48 H ALA 48 5.695 -15.876 13.615
375 HA ALA 48 HA ALA 48 6.357 -13.054 14.391
376 HB1 ALA 48 3HB ALA 48 4.000 -13.214 14.480
377 HB2 ALA 48 1HB ALA 48 4.493 -13.525 16.144
378 HB3 ALA 48 2HB ALA 48 4.049 -14.868 15.089
379 H GLY 49 H GLY 49 5.741 -16.278 15.863
380 HA2 GLY 49 2HA GLY 49 8.122 -15.776 17.605
381 HA3 GLY 49 1HA GLY 49 6.685 -16.624 18.177
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 18.593 15.015 -0.845
2 H2 ALA 1 2HT ALA 1 19.956 15.471 -1.753
3 H3 ALA 1 3HT ALA 1 18.430 15.377 -2.495
4 HA ALA 1 HA ALA 1 19.520 17.465 -0.743
5 HB1 ALA 1 3HB ALA 1 18.876 17.109 -3.418
6 HB2 ALA 1 1HB ALA 1 19.109 18.667 -2.629
7 HB3 ALA 1 2HB ALA 1 17.487 17.996 -2.793
8 H GLN 2 H GLN 2 18.270 18.394 0.856
9 HA GLN 2 HA GLN 2 16.439 18.695 2.324
10 HB2 GLN 2 2HB GLN 2 15.759 19.382 -0.208
11 HB3 GLN 2 1HB GLN 2 14.560 18.124 0.090
12 HG2 GLN 2 2HG GLN 2 13.435 19.964 0.941
13 HG3 GLN 2 1HG GLN 2 14.272 19.410 2.393
14 HE21 GLN 2 1HE2 GLN 2 15.851 20.799 3.310
15 HE22 GLN 2 2HE2 GLN 2 16.290 22.295 2.635
16 H GLN 3 H GLN 3 17.432 16.133 2.541
17 HA GLN 3 HA GLN 3 16.815 13.976 3.286
18 HB2 GLN 3 2HB GLN 3 14.497 15.785 3.668
19 HB3 GLN 3 1HB GLN 3 14.120 14.062 3.706
20 HG2 GLN 3 2HG GLN 3 16.299 14.018 5.262
21 HG3 GLN 3 1HG GLN 3 15.792 15.679 5.572
22 HE21 GLN 3 1HE2 GLN 3 15.232 12.427 6.472
23 HE22 GLN 3 2HE2 GLN 3 13.776 12.665 7.311
24 H ARG 4 H ARG 4 16.311 12.069 2.201
25 HA ARG 4 HA ARG 4 15.172 12.320 -0.522
26 HB2 ARG 4 2HB ARG 4 16.832 10.419 1.060
27 HB3 ARG 4 1HB ARG 4 15.847 9.718 -0.225
28 HG2 ARG 4 2HG ARG 4 17.471 12.173 -0.808
29 HG3 ARG 4 1HG ARG 4 18.272 10.602 -0.765
30 HD2 ARG 4 2HD ARG 4 16.197 9.903 -2.299
31 HD3 ARG 4 1HD ARG 4 16.236 11.632 -2.698
32 HE ARG 4 HE ARG 4 18.760 11.231 -3.105
33 HH11 ARG 4 1HH2 ARG 4 18.751 8.323 -2.475
34 HH12 ARG 4 2HH2 ARG 4 18.572 7.599 -4.038
35 HH21 ARG 4 1HH1 ARG 4 17.487 10.523 -5.556
36 HH22 ARG 4 2HH1 ARG 4 17.861 8.847 -5.784
37 H LYS 5 H LYS 5 12.909 12.451 -0.302
38 HA LYS 5 HA LYS 5 10.716 11.659 0.095
39 HB2 LYS 5 2HB LYS 5 12.145 9.026 0.561
40 HB3 LYS 5 1HB LYS 5 10.506 9.263 -0.045
41 HG2 LYS 5 2HG LYS 5 12.334 10.731 -1.707
42 HG3 LYS 5 1HG LYS 5 12.898 9.066 -1.562
43 HD2 LYS 5 2HD LYS 5 11.119 8.228 -2.711
44 HD3 LYS 5 1HD LYS 5 9.985 9.355 -1.965
45 HE2 LYS 5 2HE LYS 5 9.995 10.508 -3.920
46 HE3 LYS 5 1HE LYS 5 11.679 10.950 -3.569
47 HZ1 LYS 5 3HZ LYS 5 12.459 8.993 -4.622
48 HZ2 LYS 5 1HZ LYS 5 11.352 9.697 -5.698
49 HZ3 LYS 5 2HZ LYS 5 10.891 8.351 -4.768
50 H VAL 6 H VAL 6 9.315 11.078 1.909
51 HA VAL 6 HA VAL 6 10.747 10.822 4.526
52 HB VAL 6 HB VAL 6 8.567 12.249 5.198
53 HG11 VAL 6 1HG1 VAL 6 11.310 12.983 4.316
54 HG12 VAL 6 2HG1 VAL 6 10.515 13.253 5.869
55 HG13 VAL 6 3HG1 VAL 6 10.158 14.308 4.500
56 HG21 VAL 6 3HG2 VAL 6 9.193 13.078 2.348
57 HG22 VAL 6 1HG2 VAL 6 8.151 13.968 3.459
58 HG23 VAL 6 2HG2 VAL 6 7.682 12.360 2.908
59 H ILE 7 H ILE 7 10.232 8.761 5.152
60 HA ILE 7 HA ILE 7 8.930 6.839 5.626
61 HB ILE 7 HB ILE 7 6.891 8.974 6.248
62 HG12 ILE 7 2HG1 ILE 7 9.634 8.779 7.123
63 HG13 ILE 7 1HG1 ILE 7 8.424 9.977 7.570
64 HG21 ILE 7 1HG2 ILE 7 6.464 6.432 6.507
65 HG22 ILE 7 2HG2 ILE 7 6.108 7.466 7.889
66 HG23 ILE 7 3HG2 ILE 7 7.594 6.517 7.856
67 HD11 ILE 7 3HD1 ILE 7 8.684 7.250 8.869
68 HD12 ILE 7 1HD1 ILE 7 7.620 8.561 9.373
69 HD13 ILE 7 2HD1 ILE 7 9.367 8.736 9.530
70 H ARG 8 H ARG 8 8.618 6.078 3.391
71 HA ARG 8 HA ARG 8 6.290 6.990 1.846
72 HB2 ARG 8 2HB ARG 8 7.062 5.069 0.376
73 HB3 ARG 8 1HB ARG 8 8.301 6.278 0.709
74 HG2 ARG 8 2HG ARG 8 9.451 4.885 2.194
75 HG3 ARG 8 1HG ARG 8 8.034 3.882 2.504
76 HD2 ARG 8 2HD ARG 8 9.585 3.978 -0.111
77 HD3 ARG 8 1HD ARG 8 9.613 2.651 1.068
78 HE ARG 8 HE ARG 8 6.896 3.163 0.478
79 HH11 ARG 8 1HH2 ARG 8 9.200 0.920 -0.153
80 HH12 ARG 8 2HH2 ARG 8 8.631 0.463 -1.724
81 HH21 ARG 8 1HH1 ARG 8 6.396 3.101 -1.975
82 HH22 ARG 8 2HH1 ARG 8 7.045 1.698 -2.756
83 H CYS 9 H CYS 9 4.240 6.122 2.019
84 HA CYS 9 HA CYS 9 3.723 4.010 3.975
85 HB2 CYS 9 2HB CYS 9 1.488 4.696 3.703
86 HB3 CYS 9 1HB CYS 9 2.398 6.163 3.355
87 H TRP 10 H TRP 10 2.801 1.937 3.486
88 HA TRP 10 HA TRP 10 3.691 0.817 0.907
89 HB2 TRP 10 2HB TRP 10 4.030 -1.002 2.214
90 HB3 TRP 10 1HB TRP 10 3.601 0.017 3.579
91 HD1 TRP 10 HD TRP 10 2.488 -2.945 1.640
92 HE1 TRP 10 1HE TRP 10 0.219 -3.797 2.514
93 HE3 TRP 10 3HE TRP 10 1.166 0.966 4.646
94 HZ2 TRP 10 2HZ TRP 10 -1.868 -2.940 4.268
95 HZ3 TRP 10 3HZ TRP 10 -0.956 0.915 5.913
96 HH2 TRP 10 HH TRP 10 -2.470 -1.028 5.725
97 H ASN 11 H ASN 11 0.598 1.242 2.639
98 HA ASN 11 HA ASN 11 -0.919 -0.257 0.653
99 HB2 ASN 11 2HB ASN 11 -2.833 0.568 2.016
100 HB3 ASN 11 1HB ASN 11 -1.566 -0.151 3.007
101 HD21 ASN 11 1HD2 ASN 11 -3.636 2.166 3.448
102 HD22 ASN 11 2HD2 ASN 11 -2.681 3.406 4.106
103 H CYS 12 H CYS 12 -0.036 3.093 1.155
104 HA CYS 12 HA CYS 12 -1.778 3.817 -1.184
105 HB2 CYS 12 2HB CYS 12 -1.954 5.997 -0.198
106 HB3 CYS 12 1HB CYS 12 -2.202 4.836 1.107
107 H GLY 13 H GLY 13 1.343 3.071 -0.458
108 HA2 GLY 13 2HA GLY 13 3.444 3.727 -1.320
109 HA3 GLY 13 1HA GLY 13 2.536 3.838 -2.831
110 H LYS 14 H LYS 14 3.513 5.696 0.036
111 HA LYS 14 HA LYS 14 3.926 8.099 -1.527
112 HB2 LYS 14 2HB LYS 14 1.560 8.170 -1.686
113 HB3 LYS 14 1HB LYS 14 1.353 7.645 -0.015
114 HG2 LYS 14 2HG LYS 14 0.894 10.020 -0.123
115 HG3 LYS 14 1HG LYS 14 2.428 9.794 0.721
116 HD2 LYS 14 2HD LYS 14 3.642 10.218 -1.391
117 HD3 LYS 14 1HD LYS 14 2.102 10.492 -2.209
118 HE2 LYS 14 2HE LYS 14 2.843 12.681 -1.626
119 HE3 LYS 14 1HE LYS 14 1.685 12.274 -0.344
120 HZ1 LYS 14 3HZ LYS 14 4.425 12.794 -0.084
121 HZ2 LYS 14 1HZ LYS 14 4.172 11.163 0.315
122 HZ3 LYS 14 2HZ LYS 14 3.320 12.378 1.137
123 H GLU 15 H GLU 15 5.141 9.558 -0.319
124 HA GLU 15 HA GLU 15 6.080 8.758 2.305
125 HB2 GLU 15 2HB GLU 15 7.535 10.640 2.047
126 HB3 GLU 15 1HB GLU 15 7.337 9.946 0.441
127 HG2 GLU 15 2HG GLU 15 5.870 11.662 -0.241
128 HG3 GLU 15 1HG GLU 15 5.591 12.201 1.415
129 H GLY 16 H GLY 16 6.029 10.335 4.174
130 HA2 GLY 16 2HA GLY 16 4.786 12.355 5.085
131 HA3 GLY 16 1HA GLY 16 3.348 11.653 4.337
132 H HIS 17 H HIS 17 3.925 8.918 5.002
133 HA HIS 17 HA HIS 17 4.198 8.777 7.934
134 HB2 HIS 17 2HB HIS 17 1.843 7.599 7.910
135 HB3 HIS 17 1HB HIS 17 1.927 9.357 7.957
136 HD1 HIS 17 1HD HIS 17 0.703 10.560 6.149
137 HD2 HIS 17 2HD HIS 17 1.483 6.601 5.103
138 HE1 HIS 17 1HE HIS 17 -0.460 10.164 3.936
139 H SER 18 H SER 18 3.462 6.287 8.495
140 HA SER 18 HA SER 18 4.873 4.616 6.444
141 HB2 SER 18 2HB SER 18 4.978 3.194 8.754
142 HB3 SER 18 1HB SER 18 6.186 4.403 8.309
143 HG SER 18 HG SER 18 4.013 4.586 10.091
144 H ALA 19 H ALA 19 4.183 2.148 6.932
145 HA ALA 19 HA ALA 19 1.352 1.983 6.255
146 HB1 ALA 19 3HB ALA 19 2.891 0.502 5.194
147 HB2 ALA 19 1HB ALA 19 1.962 -0.501 6.305
148 HB3 ALA 19 2HB ALA 19 3.595 0.012 6.733
149 H ARG 20 H ARG 20 2.836 2.452 9.167
150 HA ARG 20 HA ARG 20 1.274 0.540 10.771
151 HB2 ARG 20 2HB ARG 20 3.657 1.622 11.135
152 HB3 ARG 20 1HB ARG 20 2.728 2.954 11.824
153 HG2 ARG 20 2HG ARG 20 1.546 1.224 13.270
154 HG3 ARG 20 1HG ARG 20 2.763 0.067 12.727
155 HD2 ARG 20 2HD ARG 20 4.517 1.781 13.520
156 HD3 ARG 20 1HD ARG 20 3.177 2.574 14.371
157 HE ARG 20 HE ARG 20 4.384 0.058 15.139
158 HH11 ARG 20 1HH2 ARG 20 1.579 2.049 15.172
159 HH12 ARG 20 2HH2 ARG 20 0.739 1.082 16.336
160 HH21 ARG 20 1HH1 ARG 20 3.233 -1.315 16.544
161 HH22 ARG 20 2HH1 ARG 20 1.673 -0.821 17.112
162 H GLN 21 H GLN 21 0.952 3.757 9.513
163 HA GLN 21 HA GLN 21 -1.545 4.126 11.129
164 HB2 GLN 21 2HB GLN 21 -0.984 6.540 11.109
165 HB3 GLN 21 1HB GLN 21 0.303 5.591 11.854
166 HG2 GLN 21 2HG GLN 21 1.507 5.574 9.671
167 HG3 GLN 21 1HG GLN 21 0.252 6.620 9.002
168 HE21 GLN 21 1HE2 GLN 21 -0.099 8.747 10.303
169 HE22 GLN 21 2HE2 GLN 21 1.292 9.485 10.957
170 H CYS 22 H CYS 22 0.063 4.393 8.013
171 HA CYS 22 HA CYS 22 -1.943 5.889 6.614
172 HB2 CYS 22 2HB CYS 22 0.499 5.202 6.016
173 HB3 CYS 22 1HB CYS 22 -0.230 3.711 5.418
174 H ARG 23 H ARG 23 -4.011 5.268 6.308
175 HA ARG 23 HA ARG 23 -4.677 2.365 6.224
176 HB2 ARG 23 2HB ARG 23 -6.056 3.167 7.859
177 HB3 ARG 23 1HB ARG 23 -5.807 4.835 7.359
178 HG2 ARG 23 2HG ARG 23 -8.135 4.350 7.037
179 HG3 ARG 23 1HG ARG 23 -7.401 4.388 5.435
180 HD2 ARG 23 2HD ARG 23 -7.897 2.199 5.065
181 HD3 ARG 23 1HD ARG 23 -7.289 1.722 6.664
182 HE ARG 23 HE ARG 23 -10.049 2.674 6.088
183 HH11 ARG 23 1HH2 ARG 23 -8.626 3.500 8.745
184 HH12 ARG 23 2HH2 ARG 23 -9.287 2.309 9.815
185 HH21 ARG 23 1HH1 ARG 23 -10.486 0.294 7.258
186 HH22 ARG 23 2HH1 ARG 23 -10.343 0.495 8.973
187 H ALA 24 H ALA 24 -4.604 5.315 4.374
188 HA ALA 24 HA ALA 24 -5.449 5.836 2.207
189 HB1 ALA 24 3HB ALA 24 -4.960 2.905 1.699
190 HB2 ALA 24 1HB ALA 24 -3.614 3.949 2.155
191 HB3 ALA 24 2HB ALA 24 -4.531 4.288 0.690
192 HA PRO 25 HA PRO 25 -9.487 4.145 1.540
193 HB2 PRO 25 2HB PRO 25 -9.671 2.558 -0.688
194 HB3 PRO 25 1HB PRO 25 -9.504 4.321 -0.768
195 HG2 PRO 25 2HG PRO 25 -7.471 2.213 -1.202
196 HG3 PRO 25 1HG PRO 25 -7.651 3.790 -1.982
197 HD2 PRO 25 2HD PRO 25 -5.839 3.204 -0.004
198 HD3 PRO 25 1HD PRO 25 -6.397 4.843 -0.400
199 H ARG 26 H ARG 26 -8.851 1.081 0.023
200 HA ARG 26 HA ARG 26 -9.467 -0.225 2.526
201 HB2 ARG 26 2HB ARG 26 -10.880 -1.091 0.976
202 HB3 ARG 26 1HB ARG 26 -9.837 -0.608 -0.356
203 HG2 ARG 26 2HG ARG 26 -10.144 -3.086 -0.048
204 HG3 ARG 26 1HG ARG 26 -8.478 -2.534 -0.110
205 HD2 ARG 26 2HD ARG 26 -8.148 -3.571 1.900
206 HD3 ARG 26 1HD ARG 26 -9.245 -2.378 2.622
207 HE ARG 26 HE ARG 26 -9.929 -5.123 2.071
208 HH11 ARG 26 1HH1 ARG 26 -11.260 -2.977 3.892
209 HH12 ARG 26 2HH1 ARG 26 -12.846 -2.936 3.198
210 HH21 ARG 26 1HH2 ARG 26 -11.915 -4.617 0.310
211 HH22 ARG 26 2HH2 ARG 26 -13.218 -3.869 1.171
212 H ARG 27 H ARG 27 -7.295 -0.028 3.518
213 HA ARG 27 HA ARG 27 -4.963 -1.018 2.186
214 HB2 ARG 27 2HB ARG 27 -4.046 -0.876 4.552
215 HB3 ARG 27 1HB ARG 27 -4.747 0.619 3.925
216 HG2 ARG 27 2HG ARG 27 -6.348 0.617 5.492
217 HG3 ARG 27 1HG ARG 27 -6.770 -1.059 5.136
218 HD2 ARG 27 2HD ARG 27 -5.936 -0.691 7.506
219 HD3 ARG 27 1HD ARG 27 -4.982 -1.872 6.586
220 HE ARG 27 HE ARG 27 -3.679 0.443 5.981
221 HH11 ARG 27 1HH2 ARG 27 -3.161 -1.702 8.287
222 HH12 ARG 27 2HH2 ARG 27 -2.671 -0.616 9.545
223 HH21 ARG 27 1HH1 ARG 27 -3.773 2.224 7.882
224 HH22 ARG 27 2HH1 ARG 27 -3.019 1.610 9.315
225 H GLN 28 H GLN 28 -3.732 -2.981 3.104
226 HA GLN 28 HA GLN 28 -5.696 -5.140 3.813
227 HB2 GLN 28 2HB GLN 28 -2.993 -5.594 2.554
228 HB3 GLN 28 1HB GLN 28 -4.438 -6.597 2.448
229 HG2 GLN 28 2HG GLN 28 -4.085 -3.861 1.193
230 HG3 GLN 28 1HG GLN 28 -4.039 -5.399 0.333
231 HE21 GLN 28 1HE2 GLN 28 -6.290 -6.267 2.390
232 HE22 GLN 28 2HE2 GLN 28 -7.699 -5.625 1.676
233 H GLY 29 H GLY 29 -5.385 -6.034 5.820
234 HA2 GLY 29 2HA GLY 29 -3.452 -5.159 7.663
235 HA3 GLY 29 1HA GLY 29 -4.273 -6.720 7.778
236 H CYS 30 H CYS 30 -3.193 -8.580 7.077
237 HA CYS 30 HA CYS 30 -0.276 -8.318 6.743
238 HB2 CYS 30 2HB CYS 30 -1.745 -10.053 8.087
239 HB3 CYS 30 1HB CYS 30 -1.859 -10.867 6.526
240 H TRP 31 H TRP 31 0.530 -7.986 4.706
241 HA TRP 31 HA TRP 31 -1.098 -8.809 2.356
242 HB2 TRP 31 2HB TRP 31 1.453 -7.505 1.807
243 HB3 TRP 31 1HB TRP 31 -0.169 -7.003 1.353
244 HD1 TRP 31 HD TRP 31 -1.592 -5.944 3.622
245 HE1 TRP 31 1HE TRP 31 -0.716 -4.147 5.244
246 HE3 TRP 31 3HE TRP 31 3.385 -6.490 2.841
247 HZ2 TRP 31 2HZ TRP 31 1.823 -3.078 6.097
248 HZ3 TRP 31 3HZ TRP 31 5.032 -5.086 4.065
249 HH2 TRP 31 HH TRP 31 4.253 -3.385 5.694
250 H LYS 32 H LYS 32 1.725 -9.717 4.133
251 HA LYS 32 HA LYS 32 2.741 -11.396 1.901
252 HB2 LYS 32 2HB LYS 32 3.735 -10.218 4.443
253 HB3 LYS 32 1HB LYS 32 4.442 -11.766 3.976
254 HG2 LYS 32 2HG LYS 32 4.182 -9.621 1.901
255 HG3 LYS 32 1HG LYS 32 5.482 -9.501 3.086
256 HD2 LYS 32 2HD LYS 32 6.487 -11.496 2.379
257 HD3 LYS 32 1HD LYS 32 5.006 -12.088 1.628
258 HE2 LYS 32 2HE LYS 32 5.607 -11.170 -0.351
259 HE3 LYS 32 1HE LYS 32 5.790 -9.578 0.412
260 HZ1 LYS 32 3HZ LYS 32 7.785 -11.704 0.058
261 HZ2 LYS 32 1HZ LYS 32 7.902 -10.701 1.421
262 HZ3 LYS 32 2HZ LYS 32 7.954 -10.024 -0.137
263 H CYS 33 H CYS 33 0.218 -11.908 3.660
264 HA CYS 33 HA CYS 33 0.902 -14.760 4.222
265 HB2 CYS 33 2HB CYS 33 1.240 -13.325 6.263
266 HB3 CYS 33 1HB CYS 33 -0.473 -12.912 6.192
267 H GLY 34 H GLY 34 -1.846 -12.510 4.763
268 HA2 GLY 34 2HA GLY 34 -3.702 -12.800 2.984
269 HA3 GLY 34 1HA GLY 34 -3.586 -14.513 3.387
270 H LYS 35 H LYS 35 -3.366 -11.809 5.667
271 HA LYS 35 HA LYS 35 -5.991 -12.666 6.838
272 HB2 LYS 35 2HB LYS 35 -3.379 -12.046 8.258
273 HB3 LYS 35 1HB LYS 35 -4.898 -12.457 9.055
274 HG2 LYS 35 2HG LYS 35 -4.527 -14.481 7.156
275 HG3 LYS 35 1HG LYS 35 -2.927 -14.220 7.850
276 HD2 LYS 35 2HD LYS 35 -3.538 -15.266 9.745
277 HD3 LYS 35 1HD LYS 35 -4.893 -14.155 9.951
278 HE2 LYS 35 2HE LYS 35 -5.847 -15.750 7.941
279 HE3 LYS 35 1HE LYS 35 -4.881 -16.909 8.876
280 HZ1 LYS 35 3HZ LYS 35 -7.139 -15.240 9.764
281 HZ2 LYS 35 1HZ LYS 35 -5.956 -15.708 10.884
282 HZ3 LYS 35 2HZ LYS 35 -6.847 -16.889 10.051
283 H THR 36 H THR 36 -6.251 -10.848 8.832
284 HA THR 36 HA THR 36 -5.835 -8.172 7.545
285 HB THR 36 HB THR 36 -8.118 -7.617 8.174
286 HG1 THR 36 1HG THR 36 -8.354 -10.249 9.176
287 HG21 THR 36 3HG2 THR 36 -9.331 -9.127 6.735
288 HG22 THR 36 1HG2 THR 36 -8.130 -10.396 6.974
289 HG23 THR 36 2HG2 THR 36 -7.707 -8.943 6.068
290 H GLY 37 H GLY 37 -7.312 -9.268 10.595
291 HA2 GLY 37 2HA GLY 37 -6.492 -7.243 12.272
292 HA3 GLY 37 1HA GLY 37 -6.611 -8.915 12.826
293 H HIS 38 H HIS 38 -4.554 -10.121 11.421
294 HA HIS 38 HA HIS 38 -2.197 -8.981 12.797
295 HB2 HIS 38 2HB HIS 38 -1.784 -11.188 13.050
296 HB3 HIS 38 1HB HIS 38 -3.250 -11.542 12.141
297 HD1 HIS 38 1HD HIS 38 -2.843 -12.927 10.114
298 HD2 HIS 38 2HD HIS 38 0.486 -10.613 11.091
299 HE1 HIS 38 1HE HIS 38 -1.070 -13.475 8.395
300 H VAL 39 H VAL 39 -0.120 -8.832 11.555
301 HA VAL 39 HA VAL 39 -0.348 -8.498 8.621
302 HB VAL 39 HB VAL 39 -1.103 -6.367 9.313
303 HG11 VAL 39 1HG1 VAL 39 -0.608 -6.637 11.710
304 HG12 VAL 39 2HG1 VAL 39 -0.028 -5.078 11.127
305 HG13 VAL 39 3HG1 VAL 39 1.108 -6.401 11.384
306 HG21 VAL 39 3HG2 VAL 39 0.704 -4.824 8.744
307 HG22 VAL 39 1HG2 VAL 39 0.780 -6.243 7.701
308 HG23 VAL 39 2HG2 VAL 39 1.900 -6.081 9.054
309 H MET 40 H MET 40 1.915 -7.727 7.789
310 HA MET 40 HA MET 40 3.940 -9.524 8.242
311 HB2 MET 40 2HB MET 40 3.618 -7.035 6.997
312 HB3 MET 40 1HB MET 40 5.008 -6.813 8.060
313 HG2 MET 40 2HG MET 40 5.377 -9.344 6.901
314 HG3 MET 40 1HG MET 40 4.827 -8.310 5.582
315 HE1 MET 40 3HE MET 40 7.191 -9.753 7.401
316 HE2 MET 40 1HE MET 40 8.542 -8.693 7.827
317 HE3 MET 40 2HE MET 40 8.440 -9.390 6.211
318 H ALA 41 H ALA 41 3.066 -6.824 10.290
319 HA ALA 41 HA ALA 41 5.106 -6.340 12.065
320 HB1 ALA 41 3HB ALA 41 2.664 -5.647 12.196
321 HB2 ALA 41 1HB ALA 41 3.346 -6.143 13.745
322 HB3 ALA 41 2HB ALA 41 2.317 -7.251 12.841
323 H LYS 42 H LYS 42 3.033 -9.123 11.920
324 HA LYS 42 HA LYS 42 4.764 -10.597 13.849
325 HB2 LYS 42 2HB LYS 42 3.238 -9.713 15.303
326 HB3 LYS 42 1HB LYS 42 2.227 -9.177 13.984
327 HG2 LYS 42 2HG LYS 42 0.912 -10.670 15.214
328 HG3 LYS 42 1HG LYS 42 1.396 -11.516 13.746
329 HD2 LYS 42 2HD LYS 42 3.339 -12.484 15.122
330 HD3 LYS 42 1HD LYS 42 2.496 -11.873 16.544
331 HE2 LYS 42 2HE LYS 42 0.524 -13.222 16.011
332 HE3 LYS 42 1HE LYS 42 1.289 -13.784 14.511
333 HZ1 LYS 42 3HZ LYS 42 3.172 -14.572 15.903
334 HZ2 LYS 42 1HZ LYS 42 1.723 -15.404 16.190
335 HZ3 LYS 42 2HZ LYS 42 2.252 -14.219 17.287
336 H CYS 43 H CYS 43 3.460 -10.643 10.885
337 HA CYS 43 HA CYS 43 1.824 -12.841 10.501
338 HB2 CYS 43 2HB CYS 43 3.836 -11.283 9.086
339 HB3 CYS 43 1HB CYS 43 3.729 -12.934 8.474
340 HA PRO 44 HA PRO 44 4.572 -15.944 12.270
341 HB2 PRO 44 2HB PRO 44 2.607 -17.801 12.664
342 HB3 PRO 44 1HB PRO 44 2.890 -16.446 13.774
343 HG2 PRO 44 2HG PRO 44 0.785 -16.800 11.722
344 HG3 PRO 44 1HG PRO 44 0.718 -15.970 13.283
345 HD2 PRO 44 2HD PRO 44 0.965 -14.727 10.816
346 HD3 PRO 44 1HD PRO 44 1.372 -13.993 12.382
347 H GLU 45 H GLU 45 2.459 -16.070 9.514
348 HA GLU 45 HA GLU 45 2.299 -17.624 7.712
349 HB2 GLU 45 2HB GLU 45 4.636 -17.772 6.690
350 HB3 GLU 45 1HB GLU 45 4.069 -16.145 7.062
351 HG2 GLU 45 2HG GLU 45 5.357 -16.095 9.110
352 HG3 GLU 45 1HG GLU 45 5.804 -17.791 8.920
353 H ARG 46 H ARG 46 1.790 -19.281 9.687
354 HA ARG 46 HA ARG 46 2.004 -21.513 10.432
355 HB2 ARG 46 2HB ARG 46 3.183 -21.317 7.706
356 HB3 ARG 46 1HB ARG 46 3.532 -22.794 8.607
357 HG2 ARG 46 2HG ARG 46 1.300 -23.434 8.691
358 HG3 ARG 46 1HG ARG 46 0.713 -21.777 8.545
359 HD2 ARG 46 2HD ARG 46 1.939 -21.977 6.157
360 HD3 ARG 46 1HD ARG 46 1.527 -23.685 6.403
361 HE ARG 46 HE ARG 46 -0.795 -23.095 6.409
362 HH11 ARG 46 1HH1 ARG 46 -0.796 -20.668 8.063
363 HH12 ARG 46 2HH1 ARG 46 -1.120 -19.409 6.919
364 HH21 ARG 46 1HH2 ARG 46 -0.303 -21.341 4.160
365 HH22 ARG 46 2HH2 ARG 46 -0.838 -19.789 4.711
366 H GLN 47 H GLN 47 3.265 -21.132 12.327
367 HA GLN 47 HA GLN 47 6.234 -21.432 11.988
368 HB2 GLN 47 2HB GLN 47 5.195 -19.273 12.913
369 HB3 GLN 47 1HB GLN 47 4.733 -20.224 14.325
370 HG2 GLN 47 2HG GLN 47 6.908 -19.050 14.642
371 HG3 GLN 47 1HG GLN 47 7.069 -20.804 14.744
372 HE21 GLN 47 1HE2 GLN 47 6.626 -19.069 11.668
373 HE22 GLN 47 2HE2 GLN 47 8.172 -19.414 11.058
374 H ALA 48 H ALA 48 7.275 -22.966 13.368
375 HA ALA 48 HA ALA 48 5.475 -24.629 15.097
376 HB1 ALA 48 3HB ALA 48 5.956 -26.487 13.870
377 HB2 ALA 48 1HB ALA 48 7.651 -26.033 13.689
378 HB3 ALA 48 2HB ALA 48 6.433 -25.343 12.614
379 H GLY 49 H GLY 49 8.825 -23.709 14.296
380 HA2 GLY 49 2HA GLY 49 9.870 -22.979 16.655
381 HA3 GLY 49 1HA GLY 49 9.763 -24.722 16.912