Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
2255 | 1bm4 RC | 4221 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 -21.553 10.343 -6.598
2 2H CYS 1 2H CYS 1 -21.602 11.032 -5.118
3 HA CYS 1 HA CYS 1 -23.071 9.211 -5.050
4 1HB CYS 1 1HB CYS 1 -22.313 6.929 -5.785
5 2HB CYS 1 2HB CYS 1 -22.263 8.117 -7.083
6 HG CYS 1 HG CYS 1 -19.868 6.657 -5.384
7 H ALA 2 H ALA 2 -23.269 9.010 -2.906
8 HA ALA 2 HA ALA 2 -20.988 9.043 -1.016
9 1HB ALA 2 1HB ALA 2 -23.164 10.227 -0.609
10 2HB ALA 2 2HB ALA 2 -24.045 8.680 -0.561
11 3HB ALA 2 3HB ALA 2 -22.847 9.068 0.691
12 H LYS 3 H LYS 3 -23.578 6.515 -1.106
13 HA LYS 3 HA LYS 3 -22.145 4.641 0.452
14 1HB LYS 3 1HB LYS 3 -24.619 4.799 0.043
15 2HB LYS 3 2HB LYS 3 -24.448 4.245 -1.607
16 1HG LYS 3 1HG LYS 3 -23.443 2.462 0.689
17 2HG LYS 3 2HG LYS 3 -25.166 2.652 0.508
18 1HD LYS 3 1HD LYS 3 -25.318 1.572 -1.560
19 2HD LYS 3 2HD LYS 3 -23.695 1.927 -2.075
20 1HE LYS 3 1HE LYS 3 -24.284 -0.026 0.269
21 2HE LYS 3 2HE LYS 3 -24.269 -0.560 -1.407
22 1HZ LYS 3 1HZ LYS 3 -21.923 1.072 -0.605
23 2HZ LYS 3 2HZ LYS 3 -21.967 -0.451 0.053
24 3HZ LYS 3 3HZ LYS 3 -21.957 -0.228 -1.581
25 H VAL 4 H VAL 4 -21.324 5.175 -2.812
26 HA VAL 4 HA VAL 4 -20.109 2.356 -3.164
27 HB VAL 4 HB VAL 4 -21.023 4.276 -5.392
28 1HG1 VAL 4 1HG1 VAL 4 -18.994 2.963 -6.111
29 2HG1 VAL 4 2HG1 VAL 4 -19.792 1.440 -5.656
30 3HG1 VAL 4 3HG1 VAL 4 -20.429 2.433 -6.990
31 1HG2 VAL 4 1HG2 VAL 4 -23.011 3.077 -4.402
32 2HG2 VAL 4 2HG2 VAL 4 -22.677 2.493 -6.037
33 3HG2 VAL 4 3HG2 VAL 4 -22.201 1.507 -4.631
34 H LYS 5 H LYS 5 -18.505 3.252 -1.741
35 HA LYS 5 HA LYS 5 -16.227 4.423 -3.400
36 1HB LYS 5 1HB LYS 5 -16.796 5.467 -0.545
37 2HB LYS 5 2HB LYS 5 -15.405 5.844 -1.543
38 1HG LYS 5 1HG LYS 5 -17.137 6.875 -3.267
39 2HG LYS 5 2HG LYS 5 -18.309 6.755 -1.964
40 1HD LYS 5 1HD LYS 5 -16.530 8.066 -0.491
41 2HD LYS 5 2HD LYS 5 -15.678 8.390 -1.983
42 1HE LYS 5 1HE LYS 5 -18.526 9.310 -1.190
43 2HE LYS 5 2HE LYS 5 -17.087 10.319 -1.292
44 1HZ LYS 5 1HZ LYS 5 -17.100 9.529 -3.826
45 2HZ LYS 5 2HZ LYS 5 -18.674 9.120 -3.527
46 3HZ LYS 5 3HZ LYS 5 -18.202 10.684 -3.389
47 H GLY 6 H GLY 6 -16.307 1.943 -3.244
48 1HA GLY 6 1HA GLY 6 -15.377 0.814 -0.542
49 2HA GLY 6 2HA GLY 6 -16.587 0.146 -1.591
50 H ILE 7 H ILE 7 -12.802 -1.051 -2.569
51 HA ILE 7 HA ILE 7 -13.201 1.181 -0.474
52 HB ILE 7 HB ILE 7 -10.683 -0.531 -1.022
53 1HG1 ILE 7 1HG1 ILE 7 -12.379 -1.999 -0.043
54 2HG1 ILE 7 2HG1 ILE 7 -11.116 -1.679 1.111
55 1HG2 ILE 7 1HG2 ILE 7 -11.269 1.529 1.225
56 2HG2 ILE 7 2HG2 ILE 7 -9.878 0.420 1.199
57 3HG2 ILE 7 3HG2 ILE 7 -10.030 1.658 -0.044
58 1HD1 ILE 7 1HD1 ILE 7 -12.666 -0.045 2.346
59 2HD1 ILE 7 2HD1 ILE 7 -13.953 -0.427 1.174
60 3HD1 ILE 7 3HD1 ILE 7 -13.321 -1.692 2.246
61 H THR 8 H THR 8 -12.590 3.217 -0.958
62 HA THR 8 HA THR 8 -11.126 3.826 -3.600
63 HB THR 8 HB THR 8 -12.772 5.671 -1.765
64 HG1 THR 8 HG1 THR 8 -13.601 3.838 -3.250
65 1HG2 THR 8 1HG2 THR 8 -11.675 6.157 -4.633
66 2HG2 THR 8 2HG2 THR 8 -12.777 7.233 -3.748
67 3HG2 THR 8 3HG2 THR 8 -11.117 6.997 -3.161
68 H GLN 9 H GLN 9 -9.026 4.006 -3.349
69 HA GLN 9 HA GLN 9 -6.853 4.858 -2.705
70 1HB GLN 9 1HB GLN 9 -8.253 6.976 -1.850
71 2HB GLN 9 2HB GLN 9 -8.017 6.295 -0.260
72 1HG GLN 9 1HG GLN 9 -5.835 7.160 -2.283
73 2HG GLN 9 2HG GLN 9 -6.302 8.036 -0.850
74 1HE2 GLN 9 2HE2 GLN 9 -5.733 6.984 1.255
75 2HE2 GLN 9 1HE2 GLN 9 -4.268 5.872 1.252
76 H GLY 10 H GLY 10 -5.489 2.962 -0.910
77 1HA GLY 10 1HA GLY 10 -5.895 3.063 -3.398
78 2HA GLY 10 2HA GLY 10 -5.529 1.477 -2.808
79 HA PRO 11 HA PRO 11 -9.897 1.379 -5.165
80 1HB PRO 11 1HB PRO 11 -7.984 0.420 -7.360
81 2HB PRO 11 2HB PRO 11 -9.562 1.217 -7.521
82 1HG PRO 11 1HG PRO 11 -7.307 2.688 -7.845
83 2HG PRO 11 2HG PRO 11 -8.629 3.371 -6.867
84 1HD PRO 11 1HD PRO 11 -6.078 1.997 -5.835
85 2HD PRO 11 2HD PRO 11 -6.856 3.515 -5.297
86 H ASN 12 H ASN 12 -10.199 -0.092 -3.677
87 HA ASN 12 HA ASN 12 -10.455 -2.169 -2.475
88 1HB ASN 12 1HB ASN 12 -11.467 -2.847 -4.794
89 2HB ASN 12 2HB ASN 12 -9.924 -3.578 -5.185
90 1HD2 ASN 12 2HD2 ASN 12 -9.391 -5.511 -3.962
91 2HD2 ASN 12 1HD2 ASN 12 -10.727 -6.401 -3.067
92 H GLU 13 H GLU 13 -8.160 -0.950 -2.074
93 HA GLU 13 HA GLU 13 -5.771 -0.942 -1.867
94 1HB GLU 13 1HB GLU 13 -5.007 -2.586 -0.214
95 2HB GLU 13 2HB GLU 13 -6.591 -2.000 0.221
96 1HG GLU 13 1HG GLU 13 -7.643 -4.141 -0.589
97 2HG GLU 13 2HG GLU 13 -6.073 -4.757 -1.101
98 HE2 GLU 13 HE2 GLU 13 -5.200 -5.804 2.021
99 H SER 14 H SER 14 -6.507 -2.017 -4.449
100 HA SER 14 HA SER 14 -4.779 -4.181 -5.221
101 1HB SER 14 1HB SER 14 -5.801 -1.918 -7.082
102 2HB SER 14 2HB SER 14 -5.244 -3.514 -7.563
103 HG SER 14 HG SER 14 -7.595 -2.750 -6.203
104 HA PRO 15 HA PRO 15 -0.962 -1.329 -6.249
105 1HB PRO 15 1HB PRO 15 -0.993 1.364 -5.649
106 2HB PRO 15 2HB PRO 15 -1.581 0.733 -7.195
107 1HG PRO 15 1HG PRO 15 -3.279 1.421 -4.720
108 2HG PRO 15 2HG PRO 15 -3.516 1.990 -6.367
109 1HD PRO 15 1HD PRO 15 -4.914 -0.163 -5.424
110 2HD PRO 15 2HD PRO 15 -4.346 -0.149 -7.118
111 H SER 16 H SER 16 -2.750 0.035 -3.449
112 HA SER 16 HA SER 16 -0.593 0.368 -1.704
113 1HB SER 16 1HB SER 16 -3.025 1.141 -1.356
114 2HB SER 16 2HB SER 16 -3.450 -0.482 -0.806
115 HG SER 16 HG SER 16 -1.915 -0.207 0.924
116 H ALA 17 H ALA 17 -2.497 -2.752 -1.698
117 HA ALA 17 HA ALA 17 -0.815 -3.983 0.431
118 1HB ALA 17 1HB ALA 17 -3.169 -4.710 -0.169
119 2HB ALA 17 2HB ALA 17 -2.617 -5.254 -1.772
120 3HB ALA 17 3HB ALA 17 -2.043 -6.069 -0.293
121 H PHE 18 H PHE 18 -0.276 -3.710 -3.024
122 HA PHE 18 HA PHE 18 2.154 -5.559 -2.965
123 1HB PHE 18 1HB PHE 18 0.607 -5.335 -5.038
124 2HB PHE 18 2HB PHE 18 1.087 -3.665 -5.181
125 HD1 PHE 18 HD1 PHE 18 2.440 -7.200 -5.141
126 HD2 PHE 18 HD2 PHE 18 3.150 -3.140 -6.375
127 HE1 PHE 18 HE1 PHE 18 4.403 -7.928 -6.439
128 HE2 PHE 18 HE2 PHE 18 5.097 -3.888 -7.682
129 HZ PHE 18 HZ PHE 18 5.736 -6.276 -7.704
130 H LEU 19 H LEU 19 1.514 -2.042 -3.211
131 HA LEU 19 HA LEU 19 4.341 -1.200 -2.904
132 1HB LEU 19 1HB LEU 19 1.582 0.124 -2.636
133 2HB LEU 19 2HB LEU 19 2.876 0.932 -1.843
134 HG LEU 19 HG LEU 19 2.453 1.876 -4.026
135 1HD1 LEU 19 1HD1 LEU 19 4.786 2.030 -3.065
136 2HD1 LEU 19 2HD1 LEU 19 5.267 0.601 -4.008
137 3HD1 LEU 19 3HD1 LEU 19 4.768 2.086 -4.838
138 1HD2 LEU 19 1HD2 LEU 19 1.732 -0.148 -5.315
139 2HD2 LEU 19 2HD2 LEU 19 3.000 0.751 -6.170
140 3HD2 LEU 19 3HD2 LEU 19 3.399 -0.760 -5.320
141 H GLU 20 H GLU 20 1.913 -1.871 -0.257
142 HA GLU 20 HA GLU 20 3.830 -1.328 1.822
143 1HB GLU 20 1HB GLU 20 1.305 -3.137 1.660
144 2HB GLU 20 2HB GLU 20 2.136 -2.886 3.177
145 1HG GLU 20 1HG GLU 20 1.598 -0.514 3.278
146 2HG GLU 20 2HG GLU 20 1.081 -0.462 1.596
147 HE2 GLU 20 HE2 GLU 20 -1.391 -1.884 4.394
148 H ARG 21 H ARG 21 3.183 -4.548 0.266
149 HA ARG 21 HA ARG 21 5.276 -5.991 1.627
150 1HB ARG 21 1HB ARG 21 4.046 -6.185 -1.198
151 2HB ARG 21 2HB ARG 21 5.339 -7.257 -0.711
152 1HG ARG 21 1HG ARG 21 4.065 -8.170 1.185
153 2HG ARG 21 2HG ARG 21 2.731 -7.069 0.936
154 1HD ARG 21 1HD ARG 21 3.656 -9.108 -1.213
155 2HD ARG 21 2HD ARG 21 2.475 -9.502 0.052
156 HE ARG 21 HE ARG 21 1.489 -7.067 -1.121
157 1HH1 ARG 21 1HH1 ARG 21 2.009 -10.352 -2.173
158 2HH1 ARG 21 2HH1 ARG 21 0.652 -10.262 -3.397
159 1HH2 ARG 21 1HH2 ARG 21 -0.007 -6.993 -2.529
160 2HH2 ARG 21 2HH2 ARG 21 -0.450 -8.433 -3.562
161 H LEU 22 H LEU 22 5.561 -3.761 -1.217
162 HA LEU 22 HA LEU 22 8.453 -3.991 -1.434
163 1HB LEU 22 1HB LEU 22 6.484 -1.782 -2.296
164 2HB LEU 22 2HB LEU 22 8.178 -1.751 -2.701
165 HG LEU 22 HG LEU 22 6.261 -3.967 -3.645
166 1HD1 LEU 22 1HD1 LEU 22 7.359 -1.473 -5.114
167 2HD1 LEU 22 2HD1 LEU 22 6.473 -2.806 -5.890
168 3HD1 LEU 22 3HD1 LEU 22 5.659 -1.797 -4.687
169 1HD2 LEU 22 1HD2 LEU 22 9.185 -3.349 -4.470
170 2HD2 LEU 22 2HD2 LEU 22 8.629 -4.785 -3.577
171 3HD2 LEU 22 3HD2 LEU 22 8.121 -4.543 -5.253
172 H LYS 23 H LYS 23 6.362 -1.784 0.563
173 HA LYS 23 HA LYS 23 8.710 -0.040 1.318
174 1HB LYS 23 1HB LYS 23 5.799 -0.260 2.332
175 2HB LYS 23 2HB LYS 23 6.959 0.784 3.122
176 1HG LYS 23 1HG LYS 23 7.418 2.042 1.028
177 2HG LYS 23 2HG LYS 23 6.287 1.066 0.123
178 1HD LYS 23 1HD LYS 23 5.539 2.825 2.563
179 2HD LYS 23 2HD LYS 23 5.459 3.357 0.889
180 1HE LYS 23 1HE LYS 23 3.779 1.494 0.366
181 2HE LYS 23 2HE LYS 23 3.809 1.006 2.062
182 1HZ LYS 23 1HZ LYS 23 3.063 3.324 2.668
183 2HZ LYS 23 2HZ LYS 23 2.988 3.747 1.090
184 3HZ LYS 23 3HZ LYS 23 1.953 2.616 1.682
185 H GLU 24 H GLU 24 7.133 -2.853 2.975
186 HA GLU 24 HA GLU 24 8.881 -2.678 5.318
187 1HB GLU 24 1HB GLU 24 8.089 -4.904 5.885
188 2HB GLU 24 2HB GLU 24 6.741 -3.919 5.383
189 1HG GLU 24 1HG GLU 24 6.811 -5.107 3.085
190 2HG GLU 24 2HG GLU 24 8.073 -6.160 3.704
191 HE2 GLU 24 HE2 GLU 24 4.273 -6.687 4.754
192 H ALA 25 H ALA 25 9.271 -4.373 2.156
193 HA ALA 25 HA ALA 25 11.893 -5.469 2.691
194 1HB ALA 25 1HB ALA 25 10.442 -6.142 0.732
195 2HB ALA 25 2HB ALA 25 10.626 -4.525 0.013
196 3HB ALA 25 3HB ALA 25 12.032 -5.599 0.169
197 H TYR 26 H TYR 26 11.172 -2.375 0.857
198 HA TYR 26 HA TYR 26 13.821 -1.343 0.880
199 1HB TYR 26 1HB TYR 26 11.218 0.304 1.146
200 2HB TYR 26 2HB TYR 26 12.735 0.912 0.530
201 HD1 TYR 26 HD1 TYR 26 12.999 -1.854 -1.367
202 HD2 TYR 26 HD2 TYR 26 10.157 1.322 -0.799
203 HE1 TYR 26 HE1 TYR 26 12.186 -2.175 -3.650
204 HE2 TYR 26 HE2 TYR 26 9.344 0.985 -3.097
205 HH TYR 26 HH TYR 26 10.777 -1.463 -5.226
206 H ARG 27 H ARG 27 11.440 -0.945 3.553
207 HA ARG 27 HA ARG 27 13.332 0.665 5.223
208 1HB ARG 27 1HB ARG 27 10.728 0.536 5.412
209 2HB ARG 27 2HB ARG 27 10.909 -1.068 6.086
210 1HG ARG 27 1HG ARG 27 10.547 0.574 7.876
211 2HG ARG 27 2HG ARG 27 12.136 -0.124 8.061
212 1HD ARG 27 1HD ARG 27 12.255 2.256 8.534
213 2HD ARG 27 2HD ARG 27 13.222 1.947 7.134
214 HE ARG 27 HE ARG 27 10.454 3.294 7.204
215 1HH1 ARG 27 1HH1 ARG 27 13.362 2.701 5.297
216 2HH1 ARG 27 2HH1 ARG 27 12.754 3.804 3.980
217 1HH2 ARG 27 1HH2 ARG 27 9.864 4.532 5.676
218 2HH2 ARG 27 2HH2 ARG 27 10.907 4.804 4.208
219 H ARG 28 H ARG 28 13.178 -2.829 4.631
220 HA ARG 28 HA ARG 28 14.859 -3.568 6.907
221 1HB ARG 28 1HB ARG 28 13.403 -5.217 5.707
222 2HB ARG 28 2HB ARG 28 14.207 -4.887 4.184
223 1HG ARG 28 1HG ARG 28 14.927 -7.058 5.074
224 2HG ARG 28 2HG ARG 28 16.283 -5.965 4.929
225 1HD ARG 28 1HD ARG 28 15.957 -5.462 7.538
226 2HD ARG 28 2HD ARG 28 14.813 -6.779 7.524
227 HE ARG 28 HE ARG 28 16.619 -8.370 7.314
228 1HH1 ARG 28 1HH1 ARG 28 17.910 -5.159 6.638
229 2HH1 ARG 28 2HH1 ARG 28 19.618 -5.776 6.816
230 1HH2 ARG 28 1HH2 ARG 28 18.585 -8.985 7.476
231 2HH2 ARG 28 2HH2 ARG 28 19.965 -7.821 7.247
232 H TYR 29 H TYR 29 15.484 -2.359 3.640
233 HA TYR 29 HA TYR 29 18.486 -2.091 4.324
234 1HB TYR 29 1HB TYR 29 18.794 -2.219 1.755
235 2HB TYR 29 2HB TYR 29 18.528 -3.687 2.631
236 HD1 TYR 29 HD1 TYR 29 17.032 -1.259 0.208
237 HD2 TYR 29 HD2 TYR 29 16.597 -5.099 2.092
238 HE1 TYR 29 HE1 TYR 29 15.353 -1.904 -1.468
239 HE2 TYR 29 HE2 TYR 29 14.904 -5.722 0.441
240 HH TYR 29 HH TYR 29 13.915 -5.152 -1.495
241 H THR 30 H THR 30 16.417 -0.113 4.922
242 HA THR 30 HA THR 30 18.210 2.148 4.283
243 HB THR 30 HB THR 30 15.395 2.468 3.174
244 HG1 THR 30 HG1 THR 30 17.446 1.350 2.042
245 1HG2 THR 30 1HG2 THR 30 17.821 4.396 3.035
246 2HG2 THR 30 2HG2 THR 30 16.266 4.647 2.216
247 3HG2 THR 30 3HG2 THR 30 16.341 4.676 3.991
248 HA PRO 31 HA PRO 31 15.767 2.606 8.285
249 1HB PRO 31 1HB PRO 31 17.719 3.701 9.833
250 2HB PRO 31 2HB PRO 31 17.870 2.056 9.195
251 1HG PRO 31 1HG PRO 31 19.107 4.621 8.041
252 2HG PRO 31 2HG PRO 31 19.943 3.093 8.409
253 1HD PRO 31 1HD PRO 31 18.943 3.738 5.838
254 2HD PRO 31 2HD PRO 31 19.076 2.042 6.410
255 H TYR 32 H TYR 32 14.653 4.111 6.645
256 HA TYR 32 HA TYR 32 13.261 6.063 6.352
257 1HB TYR 32 1HB TYR 32 14.327 6.933 9.129
258 2HB TYR 32 2HB TYR 32 13.125 7.794 8.231
259 HD1 TYR 32 HD1 TYR 32 10.818 6.805 7.833
260 HD2 TYR 32 HD2 TYR 32 13.704 4.869 10.365
261 HE1 TYR 32 HE1 TYR 32 9.031 5.421 8.831
262 HE2 TYR 32 HE2 TYR 32 11.913 3.501 11.353
263 HH TYR 32 HH TYR 32 9.700 3.129 11.439
Start of MODEL 2
1 1H CYS 1 1H CYS 1 -19.345 -16.820 -2.370
2 2H CYS 1 2H CYS 1 -18.868 -18.255 -1.752
3 HA CYS 1 HA CYS 1 -16.530 -17.502 -1.732
4 1HB CYS 1 1HB CYS 1 -16.824 -15.927 -3.650
5 2HB CYS 1 2HB CYS 1 -17.853 -14.867 -2.673
6 HG CYS 1 HG CYS 1 -16.133 -14.045 -1.038
7 H ALA 2 H ALA 2 -16.564 -17.887 0.425
8 HA ALA 2 HA ALA 2 -18.442 -16.821 2.374
9 1HB ALA 2 1HB ALA 2 -17.115 -18.979 2.576
10 2HB ALA 2 2HB ALA 2 -15.608 -18.046 2.795
11 3HB ALA 2 3HB ALA 2 -16.905 -17.963 4.007
12 H LYS 3 H LYS 3 -15.682 -15.117 1.237
13 HA LYS 3 HA LYS 3 -16.319 -12.882 2.855
14 1HB LYS 3 1HB LYS 3 -14.477 -12.445 4.272
15 2HB LYS 3 2HB LYS 3 -14.896 -14.092 4.614
16 1HG LYS 3 1HG LYS 3 -12.465 -13.127 2.972
17 2HG LYS 3 2HG LYS 3 -12.427 -13.582 4.643
18 1HD LYS 3 1HD LYS 3 -12.498 -15.861 4.288
19 2HD LYS 3 2HD LYS 3 -13.494 -15.805 2.870
20 1HE LYS 3 1HE LYS 3 -10.520 -14.931 2.879
21 2HE LYS 3 2HE LYS 3 -11.046 -16.567 2.502
22 1HZ LYS 3 1HZ LYS 3 -12.365 -14.337 1.002
23 2HZ LYS 3 2HZ LYS 3 -10.828 -14.752 0.537
24 3HZ LYS 3 3HZ LYS 3 -12.062 -15.856 0.481
25 H VAL 4 H VAL 4 -16.308 -11.409 1.300
26 HA VAL 4 HA VAL 4 -14.325 -11.546 -1.018
27 HB VAL 4 HB VAL 4 -16.842 -11.468 -1.313
28 1HG1 VAL 4 1HG1 VAL 4 -17.527 -9.762 0.432
29 2HG1 VAL 4 2HG1 VAL 4 -16.730 -8.485 -0.511
30 3HG1 VAL 4 3HG1 VAL 4 -18.124 -9.358 -1.185
31 1HG2 VAL 4 1HG2 VAL 4 -15.314 -10.874 -3.180
32 2HG2 VAL 4 2HG2 VAL 4 -16.839 -9.975 -3.262
33 3HG2 VAL 4 3HG2 VAL 4 -15.363 -9.162 -2.700
34 H LYS 5 H LYS 5 -12.917 -10.899 1.120
35 HA LYS 5 HA LYS 5 -11.547 -8.514 0.144
36 1HB LYS 5 1HB LYS 5 -13.187 -7.282 1.563
37 2HB LYS 5 2HB LYS 5 -12.822 -8.285 2.948
38 1HG LYS 5 1HG LYS 5 -11.814 -6.080 3.200
39 2HG LYS 5 2HG LYS 5 -10.564 -7.310 3.180
40 1HD LYS 5 1HD LYS 5 -9.962 -6.747 0.813
41 2HD LYS 5 2HD LYS 5 -11.317 -5.622 0.696
42 1HE LYS 5 1HE LYS 5 -10.306 -4.174 2.517
43 2HE LYS 5 2HE LYS 5 -8.960 -5.303 2.708
44 1HZ LYS 5 1HZ LYS 5 -9.564 -4.153 -0.009
45 2HZ LYS 5 2HZ LYS 5 -8.607 -3.302 1.050
46 3HZ LYS 5 3HZ LYS 5 -8.154 -4.787 0.480
47 H GLY 6 H GLY 6 -10.437 -10.541 -0.187
48 1HA GLY 6 1HA GLY 6 -8.584 -11.617 1.915
49 2HA GLY 6 2HA GLY 6 -10.117 -12.473 1.843
50 H ILE 7 H ILE 7 -7.552 -11.377 -0.351
51 HA ILE 7 HA ILE 7 -7.653 -14.085 -1.826
52 HB ILE 7 HB ILE 7 -6.721 -11.351 -2.924
53 1HG1 ILE 7 1HG1 ILE 7 -9.132 -11.315 -2.922
54 2HG1 ILE 7 2HG1 ILE 7 -8.582 -11.519 -4.557
55 1HG2 ILE 7 1HG2 ILE 7 -6.824 -14.121 -4.328
56 2HG2 ILE 7 2HG2 ILE 7 -6.496 -12.575 -5.143
57 3HG2 ILE 7 3HG2 ILE 7 -5.358 -13.188 -3.946
58 1HD1 ILE 7 1HD1 ILE 7 -9.224 -14.004 -4.459
59 2HD1 ILE 7 2HD1 ILE 7 -9.806 -13.757 -2.792
60 3HD1 ILE 7 3HD1 ILE 7 -10.593 -12.916 -4.141
61 H THR 8 H THR 8 -5.860 -15.265 -1.671
62 HA THR 8 HA THR 8 -4.162 -15.067 0.508
63 HB THR 8 HB THR 8 -3.506 -16.537 -2.138
64 HG1 THR 8 HG1 THR 8 -4.664 -18.225 -0.758
65 1HG2 THR 8 1HG2 THR 8 -2.915 -17.370 0.802
66 2HG2 THR 8 2HG2 THR 8 -2.591 -18.372 -0.639
67 3HG2 THR 8 3HG2 THR 8 -1.691 -16.870 -0.387
68 H GLN 9 H GLN 9 -3.345 -13.219 -2.336
69 HA GLN 9 HA GLN 9 -1.140 -12.102 -0.995
70 1HB GLN 9 1HB GLN 9 -0.503 -13.721 -3.566
71 2HB GLN 9 2HB GLN 9 0.412 -12.288 -3.245
72 1HG GLN 9 1HG GLN 9 0.336 -14.766 -1.436
73 2HG GLN 9 2HG GLN 9 1.644 -14.247 -2.473
74 1HE2 GLN 9 2HE2 GLN 9 0.214 -13.813 0.605
75 2HE2 GLN 9 1HE2 GLN 9 1.507 -12.649 1.220
76 H GLY 10 H GLY 10 -3.664 -11.311 -1.597
77 1HA GLY 10 1HA GLY 10 -3.284 -8.942 -3.433
78 2HA GLY 10 2HA GLY 10 -4.241 -10.275 -4.057
79 HA PRO 11 HA PRO 11 -7.619 -8.594 -1.192
80 1HB PRO 11 1HB PRO 11 -7.211 -7.505 1.298
81 2HB PRO 11 2HB PRO 11 -6.997 -9.233 0.990
82 1HG PRO 11 1HG PRO 11 -4.786 -7.080 0.992
83 2HG PRO 11 2HG PRO 11 -4.836 -8.570 1.970
84 1HD PRO 11 1HD PRO 11 -3.474 -8.549 -0.428
85 2HD PRO 11 2HD PRO 11 -4.440 -9.971 0.052
86 H ASN 12 H ASN 12 -7.050 -7.216 -3.104
87 HA ASN 12 HA ASN 12 -7.242 -5.176 -4.369
88 1HB ASN 12 1HB ASN 12 -7.828 -3.613 -1.782
89 2HB ASN 12 2HB ASN 12 -8.045 -3.052 -3.409
90 1HD2 ASN 12 2HD2 ASN 12 -9.680 -4.657 -4.711
91 2HD2 ASN 12 1HD2 ASN 12 -11.202 -4.926 -3.712
92 H GLU 13 H GLU 13 -4.967 -5.728 -4.534
93 HA GLU 13 HA GLU 13 -3.012 -4.331 -2.780
94 1HB GLU 13 1HB GLU 13 -1.395 -5.768 -3.873
95 2HB GLU 13 2HB GLU 13 -2.804 -6.716 -3.528
96 1HG GLU 13 1HG GLU 13 -3.461 -6.616 -5.999
97 2HG GLU 13 2HG GLU 13 -2.058 -5.609 -6.331
98 HE2 GLU 13 HE2 GLU 13 -1.265 -8.941 -7.298
99 H SER 14 H SER 14 -4.114 -3.410 -5.945
100 HA SER 14 HA SER 14 -1.834 -1.641 -6.647
101 1HB SER 14 1HB SER 14 -3.497 -0.622 -8.231
102 2HB SER 14 2HB SER 14 -3.408 -2.371 -8.369
103 HG SER 14 HG SER 14 -5.567 -1.522 -8.355
104 HA PRO 15 HA PRO 15 -3.859 2.029 -4.214
105 1HB PRO 15 1HB PRO 15 -5.556 1.482 -2.051
106 2HB PRO 15 2HB PRO 15 -6.105 1.844 -3.693
107 1HG PRO 15 1HG PRO 15 -5.748 -0.921 -2.424
108 2HG PRO 15 2HG PRO 15 -7.157 -0.309 -3.320
109 1HD PRO 15 1HD PRO 15 -5.306 -1.876 -4.555
110 2HD PRO 15 2HD PRO 15 -6.017 -0.503 -5.443
111 H SER 16 H SER 16 -3.422 -0.879 -2.074
112 HA SER 16 HA SER 16 -0.788 -0.243 -1.369
113 1HB SER 16 1HB SER 16 -2.749 0.921 0.724
114 2HB SER 16 2HB SER 16 -1.119 0.445 1.182
115 HG SER 16 HG SER 16 -1.557 2.108 -1.068
116 H ALA 17 H ALA 17 -1.055 -2.489 -1.876
117 HA ALA 17 HA ALA 17 -0.473 -3.865 0.759
118 1HB ALA 17 1HB ALA 17 -2.920 -4.578 0.107
119 2HB ALA 17 2HB ALA 17 -2.198 -5.520 -1.221
120 3HB ALA 17 3HB ALA 17 -1.767 -5.876 0.454
121 H PHE 18 H PHE 18 -0.241 -4.114 -2.845
122 HA PHE 18 HA PHE 18 2.353 -5.693 -2.659
123 1HB PHE 18 1HB PHE 18 0.708 -5.787 -4.700
124 2HB PHE 18 2HB PHE 18 1.211 -4.168 -5.101
125 HD1 PHE 18 HD1 PHE 18 2.285 -7.734 -4.764
126 HD2 PHE 18 HD2 PHE 18 3.532 -3.820 -6.041
127 HE1 PHE 18 HE1 PHE 18 4.276 -8.708 -5.834
128 HE2 PHE 18 HE2 PHE 18 5.513 -4.812 -7.114
129 HZ PHE 18 HZ PHE 18 5.891 -7.252 -7.009
130 H LEU 19 H LEU 19 1.376 -2.314 -3.218
131 HA LEU 19 HA LEU 19 4.006 -1.002 -3.086
132 1HB LEU 19 1HB LEU 19 1.161 -0.155 -2.203
133 2HB LEU 19 2HB LEU 19 2.523 0.875 -1.954
134 HG LEU 19 HG LEU 19 2.996 0.826 -4.486
135 1HD1 LEU 19 1HD1 LEU 19 0.150 -0.412 -4.580
136 2HD1 LEU 19 2HD1 LEU 19 0.966 0.341 -5.965
137 3HD1 LEU 19 3HD1 LEU 19 1.642 -1.125 -5.251
138 1HD2 LEU 19 1HD2 LEU 19 1.923 2.770 -3.307
139 2HD2 LEU 19 2HD2 LEU 19 1.241 2.561 -4.928
140 3HD2 LEU 19 3HD2 LEU 19 0.316 2.029 -3.509
141 H GLU 20 H GLU 20 1.804 -1.756 -0.248
142 HA GLU 20 HA GLU 20 3.781 -1.214 1.738
143 1HB GLU 20 1HB GLU 20 1.274 -3.038 1.600
144 2HB GLU 20 2HB GLU 20 2.157 -2.997 3.065
145 1HG GLU 20 1HG GLU 20 1.806 -0.514 3.320
146 2HG GLU 20 2HG GLU 20 0.934 -0.472 1.794
147 HE2 GLU 20 HE2 GLU 20 -1.641 -0.494 4.116
148 H ARG 21 H ARG 21 3.228 -4.506 0.241
149 HA ARG 21 HA ARG 21 5.377 -5.823 1.600
150 1HB ARG 21 1HB ARG 21 4.118 -6.132 -1.188
151 2HB ARG 21 2HB ARG 21 5.521 -7.087 -0.790
152 1HG ARG 21 1HG ARG 21 4.485 -8.150 1.135
153 2HG ARG 21 2HG ARG 21 3.077 -7.115 1.091
154 1HD ARG 21 1HD ARG 21 3.824 -9.035 -1.233
155 2HD ARG 21 2HD ARG 21 2.823 -9.525 0.147
156 HE ARG 21 HE ARG 21 1.646 -7.066 -0.807
157 1HH1 ARG 21 1HH1 ARG 21 2.020 -10.366 -1.978
158 2HH1 ARG 21 2HH1 ARG 21 0.555 -10.148 -3.072
159 1HH2 ARG 21 1HH2 ARG 21 0.064 -6.947 -2.117
160 2HH2 ARG 21 2HH2 ARG 21 -0.380 -8.326 -3.239
161 H LEU 22 H LEU 22 5.675 -3.633 -1.271
162 HA LEU 22 HA LEU 22 8.581 -3.773 -1.380
163 1HB LEU 22 1HB LEU 22 6.621 -1.581 -2.309
164 2HB LEU 22 2HB LEU 22 8.321 -1.585 -2.695
165 HG LEU 22 HG LEU 22 6.358 -3.778 -3.611
166 1HD1 LEU 22 1HD1 LEU 22 5.811 -1.579 -4.653
167 2HD1 LEU 22 2HD1 LEU 22 7.504 -1.364 -5.172
168 3HD1 LEU 22 3HD1 LEU 22 6.508 -2.675 -5.857
169 1HD2 LEU 22 1HD2 LEU 22 9.284 -3.240 -4.478
170 2HD2 LEU 22 2HD2 LEU 22 8.716 -4.630 -3.523
171 3HD2 LEU 22 3HD2 LEU 22 8.181 -4.444 -5.198
172 H LYS 23 H LYS 23 6.346 -1.691 0.574
173 HA LYS 23 HA LYS 23 8.509 0.182 1.493
174 1HB LYS 23 1HB LYS 23 5.765 -0.516 2.750
175 2HB LYS 23 2HB LYS 23 6.812 0.729 3.369
176 1HG LYS 23 1HG LYS 23 5.505 0.809 0.587
177 2HG LYS 23 2HG LYS 23 4.919 1.613 2.028
178 1HD LYS 23 1HD LYS 23 7.116 2.972 2.117
179 2HD LYS 23 2HD LYS 23 7.638 2.145 0.665
180 1HE LYS 23 1HE LYS 23 6.835 4.229 -0.138
181 2HE LYS 23 2HE LYS 23 5.607 3.065 -0.609
182 1HZ LYS 23 1HZ LYS 23 5.449 4.844 1.838
183 2HZ LYS 23 2HZ LYS 23 4.571 5.069 0.466
184 3HZ LYS 23 3HZ LYS 23 4.294 3.761 1.423
185 H GLU 24 H GLU 24 7.136 -2.820 2.967
186 HA GLU 24 HA GLU 24 8.958 -2.707 5.269
187 1HB GLU 24 1HB GLU 24 8.108 -4.953 5.833
188 2HB GLU 24 2HB GLU 24 6.833 -3.832 5.486
189 1HG GLU 24 1HG GLU 24 5.970 -5.692 4.456
190 2HG GLU 24 2HG GLU 24 6.727 -4.924 3.084
191 HE2 GLU 24 HE2 GLU 24 7.389 -8.329 2.690
192 H ALA 25 H ALA 25 9.200 -4.414 2.086
193 HA ALA 25 HA ALA 25 11.760 -5.647 2.550
194 1HB ALA 25 1HB ALA 25 10.246 -6.134 0.576
195 2HB ALA 25 2HB ALA 25 10.542 -4.501 -0.069
196 3HB ALA 25 3HB ALA 25 11.865 -5.681 0.014
197 H TYR 26 H TYR 26 11.214 -2.416 0.923
198 HA TYR 26 HA TYR 26 13.972 -1.598 1.179
199 1HB TYR 26 1HB TYR 26 11.351 -0.003 0.754
200 2HB TYR 26 2HB TYR 26 12.922 0.738 0.639
201 HD1 TYR 26 HD1 TYR 26 14.677 -0.851 -0.951
202 HD2 TYR 26 HD2 TYR 26 10.444 -0.289 -1.445
203 HE1 TYR 26 HE1 TYR 26 14.887 -1.327 -3.354
204 HE2 TYR 26 HE2 TYR 26 10.665 -0.781 -3.839
205 HH TYR 26 HH TYR 26 12.065 -1.263 -5.503
206 H ARG 27 H ARG 27 11.706 -1.696 3.751
207 HA ARG 27 HA ARG 27 13.634 0.055 5.419
208 1HB ARG 27 1HB ARG 27 10.919 0.450 5.328
209 2HB ARG 27 2HB ARG 27 10.888 -0.922 6.394
210 1HG ARG 27 1HG ARG 27 10.864 1.031 7.789
211 2HG ARG 27 2HG ARG 27 12.461 0.356 7.986
212 1HD ARG 27 1HD ARG 27 12.687 2.762 7.816
213 2HD ARG 27 2HD ARG 27 13.413 2.119 6.376
214 HE ARG 27 HE ARG 27 10.752 3.625 6.598
215 1HH1 ARG 27 1HH1 ARG 27 12.935 2.025 4.371
216 2HH1 ARG 27 2HH1 ARG 27 12.297 2.994 2.970
217 1HH2 ARG 27 1HH2 ARG 27 10.047 4.664 4.957
218 2HH2 ARG 27 2HH2 ARG 27 10.732 4.382 3.296
219 H ARG 28 H ARG 28 14.825 -2.089 4.715
220 HA ARG 28 HA ARG 28 15.425 -3.574 7.065
221 1HB ARG 28 1HB ARG 28 13.226 -4.769 6.583
222 2HB ARG 28 2HB ARG 28 13.783 -5.215 4.983
223 1HG ARG 28 1HG ARG 28 15.530 -6.729 5.960
224 2HG ARG 28 2HG ARG 28 15.229 -6.114 7.570
225 1HD ARG 28 1HD ARG 28 14.249 -8.321 7.367
226 2HD ARG 28 2HD ARG 28 12.975 -7.173 7.650
227 HE ARG 28 HE ARG 28 13.596 -8.625 5.005
228 1HH1 ARG 28 1HH1 ARG 28 11.426 -6.449 6.651
229 2HH1 ARG 28 2HH1 ARG 28 10.109 -6.763 5.408
230 1HH2 ARG 28 1HH2 ARG 28 12.044 -8.908 3.622
231 2HH2 ARG 28 2HH2 ARG 28 10.447 -8.035 3.869
232 H TYR 29 H TYR 29 15.598 -3.738 3.454
233 HA TYR 29 HA TYR 29 17.959 -5.303 3.165
234 1HB TYR 29 1HB TYR 29 18.099 -4.421 1.002
235 2HB TYR 29 2HB TYR 29 16.408 -4.379 1.350
236 HD1 TYR 29 HD1 TYR 29 16.357 -1.524 2.853
237 HD2 TYR 29 HD2 TYR 29 18.139 -2.938 -0.808
238 HE1 TYR 29 HE1 TYR 29 16.261 0.726 1.934
239 HE2 TYR 29 HE2 TYR 29 18.000 -0.677 -1.725
240 HH TYR 29 HH TYR 29 17.360 1.421 -1.377
241 H THR 30 H THR 30 18.059 -2.044 4.401
242 HA THR 30 HA THR 30 21.091 -2.259 4.703
243 HB THR 30 HB THR 30 20.562 -0.095 3.761
244 HG1 THR 30 HG1 THR 30 20.981 0.728 6.360
245 1HG2 THR 30 1HG2 THR 30 18.801 0.542 6.251
246 2HG2 THR 30 2HG2 THR 30 19.312 1.702 5.001
247 3HG2 THR 30 3HG2 THR 30 18.202 0.384 4.583
248 HA PRO 31 HA PRO 31 19.628 -3.650 8.889
249 1HB PRO 31 1HB PRO 31 22.083 -3.861 10.199
250 2HB PRO 31 2HB PRO 31 21.539 -5.001 8.961
251 1HG PRO 31 1HG PRO 31 23.400 -2.594 8.572
252 2HG PRO 31 2HG PRO 31 23.671 -4.269 8.044
253 1HD PRO 31 1HD PRO 31 22.679 -2.356 6.325
254 2HD PRO 31 2HD PRO 31 22.098 -4.049 6.214
255 H TYR 32 H TYR 32 21.666 -0.817 8.587
256 HA TYR 32 HA TYR 32 20.072 0.549 10.840
257 1HB TYR 32 1HB TYR 32 23.020 1.137 10.093
258 2HB TYR 32 2HB TYR 32 22.057 2.106 11.171
259 HD1 TYR 32 HD1 TYR 32 21.265 1.164 13.419
260 HD2 TYR 32 HD2 TYR 32 24.037 -0.966 10.914
261 HE1 TYR 32 HE1 TYR 32 21.922 -0.240 15.328
262 HE2 TYR 32 HE2 TYR 32 24.685 -2.365 12.839
263 HH TYR 32 HH TYR 32 23.198 -1.923 16.027
Start of MODEL 3
1 1H CYS 1 1H CYS 1 0.321 -3.420 -6.859
2 2H CYS 1 2H CYS 1 0.952 -2.234 -7.783
3 HA CYS 1 HA CYS 1 -1.135 -4.107 -8.728
4 1HB CYS 1 1HB CYS 1 0.588 -1.999 -10.197
5 2HB CYS 1 2HB CYS 1 -0.487 -3.159 -10.986
6 HG CYS 1 HG CYS 1 -1.228 -0.729 -8.839
7 H ALA 2 H ALA 2 -0.370 -6.123 -8.994
8 HA ALA 2 HA ALA 2 2.628 -6.704 -8.780
9 1HB ALA 2 1HB ALA 2 0.998 -7.880 -7.289
10 2HB ALA 2 2HB ALA 2 0.154 -8.571 -8.692
11 3HB ALA 2 3HB ALA 2 1.835 -9.029 -8.343
12 H LYS 3 H LYS 3 2.844 -5.670 -10.882
13 HA LYS 3 HA LYS 3 3.658 -5.778 -13.124
14 1HB LYS 3 1HB LYS 3 4.640 -8.004 -12.360
15 2HB LYS 3 2HB LYS 3 3.196 -8.838 -12.892
16 1HG LYS 3 1HG LYS 3 3.636 -8.003 -15.280
17 2HG LYS 3 2HG LYS 3 5.098 -7.200 -14.710
18 1HD LYS 3 1HD LYS 3 6.042 -9.432 -13.960
19 2HD LYS 3 2HD LYS 3 4.564 -10.242 -14.487
20 1HE LYS 3 1HE LYS 3 4.985 -9.461 -16.888
21 2HE LYS 3 2HE LYS 3 6.468 -8.652 -16.367
22 1HZ LYS 3 1HZ LYS 3 5.956 -11.622 -16.065
23 2HZ LYS 3 2HZ LYS 3 6.945 -10.961 -17.200
24 3HZ LYS 3 3HZ LYS 3 7.336 -10.869 -15.605
25 H VAL 4 H VAL 4 1.134 -8.227 -13.243
26 HA VAL 4 HA VAL 4 -0.756 -6.312 -14.645
27 HB VAL 4 HB VAL 4 -0.211 -9.102 -15.844
28 1HG1 VAL 4 1HG1 VAL 4 -2.674 -8.583 -15.940
29 2HG1 VAL 4 2HG1 VAL 4 -2.335 -7.011 -16.703
30 3HG1 VAL 4 3HG1 VAL 4 -1.963 -8.528 -17.556
31 1HG2 VAL 4 1HG2 VAL 4 1.467 -7.405 -16.657
32 2HG2 VAL 4 2HG2 VAL 4 0.372 -7.876 -17.966
33 3HG2 VAL 4 3HG2 VAL 4 0.158 -6.309 -17.141
34 H LYS 5 H LYS 5 -1.631 -6.242 -12.571
35 HA LYS 5 HA LYS 5 -3.765 -8.017 -11.795
36 1HB LYS 5 1HB LYS 5 -1.076 -8.751 -10.598
37 2HB LYS 5 2HB LYS 5 -2.327 -8.569 -9.414
38 1HG LYS 5 1HG LYS 5 -3.669 -10.325 -10.170
39 2HG LYS 5 2HG LYS 5 -2.987 -10.399 -11.773
40 1HD LYS 5 1HD LYS 5 -1.126 -10.946 -9.366
41 2HD LYS 5 2HD LYS 5 -2.314 -12.142 -9.794
42 1HE LYS 5 1HE LYS 5 -0.146 -12.703 -10.825
43 2HE LYS 5 2HE LYS 5 -1.406 -12.496 -12.033
44 1HZ LYS 5 1HZ LYS 5 0.569 -10.282 -11.378
45 2HZ LYS 5 2HZ LYS 5 0.727 -11.309 -12.665
46 3HZ LYS 5 3HZ LYS 5 -0.560 -10.277 -12.564
47 H GLY 6 H GLY 6 -4.538 -5.863 -11.801
48 1HA GLY 6 1HA GLY 6 -3.784 -4.000 -9.526
49 2HA GLY 6 2HA GLY 6 -3.143 -3.586 -11.110
50 H ILE 7 H ILE 7 -4.254 -1.692 -11.327
51 HA ILE 7 HA ILE 7 -7.127 -1.288 -10.770
52 HB ILE 7 HB ILE 7 -5.305 0.461 -12.566
53 1HG1 ILE 7 1HG1 ILE 7 -4.127 0.353 -10.456
54 2HG1 ILE 7 2HG1 ILE 7 -4.875 1.913 -10.607
55 1HG2 ILE 7 1HG2 ILE 7 -7.898 1.143 -10.981
56 2HG2 ILE 7 2HG2 ILE 7 -6.905 2.313 -11.882
57 3HG2 ILE 7 3HG2 ILE 7 -7.754 1.031 -12.749
58 1HD1 ILE 7 1HD1 ILE 7 -6.683 1.199 -8.929
59 2HD1 ILE 7 2HD1 ILE 7 -5.868 -0.385 -8.785
60 3HD1 ILE 7 3HD1 ILE 7 -5.037 1.097 -8.272
61 H THR 8 H THR 8 -8.239 -2.814 -11.829
62 HA THR 8 HA THR 8 -8.311 -2.962 -14.909
63 HB THR 8 HB THR 8 -8.333 -5.524 -14.532
64 HG1 THR 8 HG1 THR 8 -7.201 -4.771 -12.003
65 1HG2 THR 8 1HG2 THR 8 -6.248 -4.383 -15.375
66 2HG2 THR 8 2HG2 THR 8 -5.704 -4.102 -13.708
67 3HG2 THR 8 3HG2 THR 8 -5.862 -5.763 -14.323
68 H GLN 9 H GLN 9 -10.008 -4.563 -12.160
69 HA GLN 9 HA GLN 9 -12.484 -3.315 -12.766
70 1HB GLN 9 1HB GLN 9 -13.953 -5.268 -13.229
71 2HB GLN 9 2HB GLN 9 -12.825 -4.965 -14.529
72 1HG GLN 9 1HG GLN 9 -11.377 -6.938 -13.662
73 2HG GLN 9 2HG GLN 9 -12.610 -7.259 -12.462
74 1HE2 GLN 9 2HE2 GLN 9 -11.835 -7.539 -15.841
75 2HE2 GLN 9 1HE2 GLN 9 -13.332 -8.551 -16.221
76 H GLY 10 H GLY 10 -11.362 -2.805 -10.797
77 1HA GLY 10 1HA GLY 10 -11.793 -3.970 -8.161
78 2HA GLY 10 2HA GLY 10 -10.606 -4.977 -8.983
79 HA PRO 11 HA PRO 11 -8.280 -0.750 -8.653
80 1HB PRO 11 1HB PRO 11 -9.294 1.344 -7.161
81 2HB PRO 11 2HB PRO 11 -9.771 1.012 -8.835
82 1HG PRO 11 1HG PRO 11 -11.251 0.181 -6.283
83 2HG PRO 11 2HG PRO 11 -11.930 1.000 -7.711
84 1HD PRO 11 1HD PRO 11 -12.152 -1.729 -7.398
85 2HD PRO 11 2HD PRO 11 -11.856 -1.046 -9.030
86 H ASN 12 H ASN 12 -7.212 -2.394 -7.546
87 HA ASN 12 HA ASN 12 -7.077 -2.897 -4.767
88 1HB ASN 12 1HB ASN 12 -5.091 -4.128 -5.189
89 2HB ASN 12 2HB ASN 12 -5.986 -4.225 -6.675
90 1HD2 ASN 12 2HD2 ASN 12 -3.021 -4.325 -5.840
91 2HD2 ASN 12 1HD2 ASN 12 -2.235 -3.181 -7.042
92 H GLU 13 H GLU 13 -5.364 -0.180 -6.204
93 HA GLU 13 HA GLU 13 -3.864 0.550 -3.612
94 1HB GLU 13 1HB GLU 13 -4.214 2.225 -6.158
95 2HB GLU 13 2HB GLU 13 -3.116 2.520 -4.831
96 1HG GLU 13 1HG GLU 13 -3.002 0.152 -6.773
97 2HG GLU 13 2HG GLU 13 -1.931 1.551 -6.818
98 HE2 GLU 13 HE2 GLU 13 -1.179 -1.636 -4.563
99 H SER 14 H SER 14 -5.925 0.264 -2.581
100 HA SER 14 HA SER 14 -7.267 3.042 -2.126
101 1HB SER 14 1HB SER 14 -8.814 1.225 -2.953
102 2HB SER 14 2HB SER 14 -8.345 0.174 -1.610
103 HG SER 14 HG SER 14 -9.034 1.936 -0.208
104 HA PRO 15 HA PRO 15 -4.498 3.087 -1.839
105 1HB PRO 15 1HB PRO 15 -2.483 4.147 -0.478
106 2HB PRO 15 2HB PRO 15 -4.085 4.855 -0.290
107 1HG PRO 15 1HG PRO 15 -2.840 2.663 1.516
108 2HG PRO 15 2HG PRO 15 -3.250 4.314 1.941
109 1HD PRO 15 1HD PRO 15 -5.092 2.149 2.194
110 2HD PRO 15 2HD PRO 15 -5.686 3.789 1.783
111 H SER 16 H SER 16 -2.010 2.714 -1.266
112 HA SER 16 HA SER 16 -0.270 0.901 -2.252
113 1HB SER 16 1HB SER 16 0.092 2.682 -0.435
114 2HB SER 16 2HB SER 16 -0.589 1.582 0.774
115 HG SER 16 HG SER 16 1.097 0.078 0.000
116 H ALA 17 H ALA 17 -2.609 -0.986 -1.936
117 HA ALA 17 HA ALA 17 -1.286 -3.361 -0.803
118 1HB ALA 17 1HB ALA 17 -3.746 -3.233 -1.458
119 2HB ALA 17 2HB ALA 17 -3.295 -3.152 -3.179
120 3HB ALA 17 3HB ALA 17 -2.955 -4.621 -2.230
121 H PHE 18 H PHE 18 0.035 -4.907 -1.725
122 HA PHE 18 HA PHE 18 2.037 -5.597 -2.795
123 1HB PHE 18 1HB PHE 18 0.628 -5.426 -4.982
124 2HB PHE 18 2HB PHE 18 1.269 -3.824 -5.213
125 HD1 PHE 18 HD1 PHE 18 2.339 -7.425 -4.808
126 HD2 PHE 18 HD2 PHE 18 3.387 -3.542 -6.334
127 HE1 PHE 18 HE1 PHE 18 4.272 -8.399 -5.980
128 HE2 PHE 18 HE2 PHE 18 5.312 -4.532 -7.505
129 HZ PHE 18 HZ PHE 18 5.762 -6.957 -7.329
130 H LEU 19 H LEU 19 1.510 -2.086 -3.164
131 HA LEU 19 HA LEU 19 4.377 -1.315 -2.860
132 1HB LEU 19 1HB LEU 19 1.642 0.075 -2.765
133 2HB LEU 19 2HB LEU 19 2.958 0.917 -2.039
134 HG LEU 19 HG LEU 19 2.481 1.641 -4.326
135 1HD1 LEU 19 1HD1 LEU 19 4.767 2.008 -3.406
136 2HD1 LEU 19 2HD1 LEU 19 5.321 0.457 -4.076
137 3HD1 LEU 19 3HD1 LEU 19 4.819 1.770 -5.162
138 1HD2 LEU 19 1HD2 LEU 19 1.812 -0.529 -5.390
139 2HD2 LEU 19 2HD2 LEU 19 3.040 0.332 -6.342
140 3HD2 LEU 19 3HD2 LEU 19 3.503 -1.078 -5.359
141 H GLU 20 H GLU 20 1.915 -1.979 -0.278
142 HA GLU 20 HA GLU 20 3.835 -1.364 1.822
143 1HB GLU 20 1HB GLU 20 1.266 -3.120 1.640
144 2HB GLU 20 2HB GLU 20 2.196 -3.135 3.114
145 1HG GLU 20 1HG GLU 20 0.855 -0.619 1.956
146 2HG GLU 20 2HG GLU 20 0.248 -1.615 3.254
147 HE2 GLU 20 HE2 GLU 20 2.283 -0.307 5.672
148 H ARG 21 H ARG 21 3.354 -4.445 0.068
149 HA ARG 21 HA ARG 21 5.365 -5.948 1.544
150 1HB ARG 21 1HB ARG 21 4.326 -6.194 -1.351
151 2HB ARG 21 2HB ARG 21 5.456 -7.329 -0.657
152 1HG ARG 21 1HG ARG 21 2.648 -6.813 0.516
153 2HG ARG 21 2HG ARG 21 3.015 -8.082 -0.634
154 1HD ARG 21 1HD ARG 21 4.478 -9.271 0.916
155 2HD ARG 21 2HD ARG 21 4.546 -7.963 2.063
156 HE ARG 21 HE ARG 21 2.149 -9.790 1.553
157 1HH1 ARG 21 1HH1 ARG 21 3.434 -7.157 3.498
158 2HH1 ARG 21 2HH1 ARG 21 2.080 -7.331 4.700
159 1HH2 ARG 21 1HH2 ARG 21 0.664 -9.942 2.978
160 2HH2 ARG 21 2HH2 ARG 21 0.609 -8.821 4.410
161 H LEU 22 H LEU 22 5.651 -3.772 -1.320
162 HA LEU 22 HA LEU 22 8.550 -3.928 -1.461
163 1HB LEU 22 1HB LEU 22 6.588 -1.721 -2.355
164 2HB LEU 22 2HB LEU 22 8.282 -1.738 -2.774
165 HG LEU 22 HG LEU 22 6.287 -3.915 -3.660
166 1HD1 LEU 22 1HD1 LEU 22 7.468 -1.529 -5.234
167 2HD1 LEU 22 2HD1 LEU 22 6.478 -2.839 -5.922
168 3HD1 LEU 22 3HD1 LEU 22 5.771 -1.736 -4.735
169 1HD2 LEU 22 1HD2 LEU 22 9.227 -3.429 -4.515
170 2HD2 LEU 22 2HD2 LEU 22 8.622 -4.818 -3.578
171 3HD2 LEU 22 3HD2 LEU 22 8.114 -4.605 -5.258
172 H LYS 23 H LYS 23 6.370 -1.832 0.536
173 HA LYS 23 HA LYS 23 8.595 0.053 1.289
174 1HB LYS 23 1HB LYS 23 6.095 0.526 1.105
175 2HB LYS 23 2HB LYS 23 5.825 -0.370 2.608
176 1HG LYS 23 1HG LYS 23 7.339 1.354 3.763
177 2HG LYS 23 2HG LYS 23 7.546 2.187 2.234
178 1HD LYS 23 1HD LYS 23 4.895 1.846 3.805
179 2HD LYS 23 2HD LYS 23 5.876 3.275 3.695
180 1HE LYS 23 1HE LYS 23 4.170 3.833 2.212
181 2HE LYS 23 2HE LYS 23 5.423 3.308 1.098
182 1HZ LYS 23 1HZ LYS 23 3.294 1.424 2.132
183 2HZ LYS 23 2HZ LYS 23 3.050 2.265 0.742
184 3HZ LYS 23 3HZ LYS 23 4.256 1.154 0.830
185 H GLU 24 H GLU 24 7.135 -2.780 2.984
186 HA GLU 24 HA GLU 24 8.888 -2.606 5.319
187 1HB GLU 24 1HB GLU 24 8.003 -4.810 5.889
188 2HB GLU 24 2HB GLU 24 6.704 -3.792 5.341
189 1HG GLU 24 1HG GLU 24 7.077 -5.049 2.971
190 2HG GLU 24 2HG GLU 24 7.972 -6.214 3.916
191 HE2 GLU 24 HE2 GLU 24 5.029 -4.588 3.570
192 H ALA 25 H ALA 25 9.211 -4.390 2.189
193 HA ALA 25 HA ALA 25 11.823 -5.507 2.668
194 1HB ALA 25 1HB ALA 25 10.284 -6.172 0.777
195 2HB ALA 25 2HB ALA 25 10.486 -4.573 0.023
196 3HB ALA 25 3HB ALA 25 11.865 -5.686 0.146
197 H TYR 26 H TYR 26 11.086 -2.342 0.952
198 HA TYR 26 HA TYR 26 13.757 -1.356 0.959
199 1HB TYR 26 1HB TYR 26 10.957 -0.133 0.784
200 2HB TYR 26 2HB TYR 26 12.169 0.982 1.285
201 HD1 TYR 26 HD1 TYR 26 11.165 -1.213 -1.563
202 HD2 TYR 26 HD2 TYR 26 14.029 1.677 -0.163
203 HE1 TYR 26 HE1 TYR 26 11.990 -0.898 -3.863
204 HE2 TYR 26 HE2 TYR 26 14.835 1.981 -2.463
205 HH TYR 26 HH TYR 26 14.576 1.411 -4.604
206 H ARG 27 H ARG 27 11.603 -1.333 3.775
207 HA ARG 27 HA ARG 27 13.673 0.112 5.440
208 1HB ARG 27 1HB ARG 27 10.895 -0.298 5.757
209 2HB ARG 27 2HB ARG 27 11.489 -1.637 6.692
210 1HG ARG 27 1HG ARG 27 11.304 0.022 8.317
211 2HG ARG 27 2HG ARG 27 13.000 0.199 7.961
212 1HD ARG 27 1HD ARG 27 10.689 1.912 6.795
213 2HD ARG 27 2HD ARG 27 11.709 2.393 8.158
214 HE ARG 27 HE ARG 27 13.646 1.955 6.140
215 1HH1 ARG 27 1HH1 ARG 27 10.827 3.979 6.272
216 2HH1 ARG 27 2HH1 ARG 27 11.511 5.102 4.997
217 1HH2 ARG 27 1HH2 ARG 27 14.360 3.177 4.752
218 2HH2 ARG 27 2HH2 ARG 27 13.439 4.648 4.157
219 H ARG 28 H ARG 28 13.753 -3.081 4.235
220 HA ARG 28 HA ARG 28 15.760 -3.878 6.280
221 1HB ARG 28 1HB ARG 28 15.144 -5.221 3.571
222 2HB ARG 28 2HB ARG 28 16.210 -5.845 4.803
223 1HG ARG 28 1HG ARG 28 13.153 -5.564 5.028
224 2HG ARG 28 2HG ARG 28 14.013 -7.049 4.690
225 1HD ARG 28 1HD ARG 28 15.002 -7.165 6.919
226 2HD ARG 28 2HD ARG 28 14.570 -5.526 7.334
227 HE ARG 28 HE ARG 28 12.744 -7.905 7.405
228 1HH1 ARG 28 1HH1 ARG 28 12.745 -4.436 7.178
229 2HH1 ARG 28 2HH1 ARG 28 11.096 -4.299 7.951
230 1HH2 ARG 28 1HH2 ARG 28 10.867 -7.725 8.275
231 2HH2 ARG 28 2HH2 ARG 28 10.106 -6.093 8.547
232 H TYR 29 H TYR 29 15.558 -2.856 2.846
233 HA TYR 29 HA TYR 29 18.438 -2.704 2.364
234 1HB TYR 29 1HB TYR 29 16.357 -0.941 0.946
235 2HB TYR 29 2HB TYR 29 17.874 -1.510 0.301
236 HD1 TYR 29 HD1 TYR 29 17.173 -4.632 1.220
237 HD2 TYR 29 HD2 TYR 29 15.197 -1.556 -1.054
238 HE1 TYR 29 HE1 TYR 29 15.737 -6.317 0.164
239 HE2 TYR 29 HE2 TYR 29 13.772 -3.243 -2.090
240 HH TYR 29 HH TYR 29 13.335 -5.421 -2.297
241 H THR 30 H THR 30 16.187 -0.025 3.235
242 HA THR 30 HA THR 30 18.596 1.550 4.354
243 HB THR 30 HB THR 30 16.116 2.701 3.114
244 HG1 THR 30 HG1 THR 30 18.012 1.782 1.851
245 1HG2 THR 30 1HG2 THR 30 18.645 4.144 4.179
246 2HG2 THR 30 2HG2 THR 30 17.324 4.937 3.291
247 3HG2 THR 30 3HG2 THR 30 17.014 4.247 4.900
248 HA PRO 31 HA PRO 31 15.448 0.519 7.746
249 1HB PRO 31 1HB PRO 31 17.190 -0.406 9.641
250 2HB PRO 31 2HB PRO 31 16.845 -1.320 8.165
251 1HG PRO 31 1HG PRO 31 19.250 0.520 8.683
252 2HG PRO 31 2HG PRO 31 19.279 -1.165 8.096
253 1HD PRO 31 1HD PRO 31 19.346 1.050 6.352
254 2HD PRO 31 2HD PRO 31 18.566 -0.487 5.866
255 H TYR 32 H TYR 32 15.596 3.055 7.281
256 HA TYR 32 HA TYR 32 16.152 4.481 9.965
257 1HB TYR 32 1HB TYR 32 16.824 5.420 7.084
258 2HB TYR 32 2HB TYR 32 16.892 6.464 8.473
259 HD1 TYR 32 HD1 TYR 32 18.568 6.048 10.346
260 HD2 TYR 32 HD2 TYR 32 18.671 3.792 6.687
261 HE1 TYR 32 HE1 TYR 32 20.864 5.329 10.846
262 HE2 TYR 32 HE2 TYR 32 20.976 3.083 7.199
263 HH TYR 32 HH TYR 32 22.616 4.142 10.160
Start of MODEL 4
1 1H CYS 1 1H CYS 1 -9.592 -5.043 -10.470
2 2H CYS 1 2H CYS 1 -11.055 -4.417 -10.788
3 HA CYS 1 HA CYS 1 -8.796 -4.779 -12.643
4 1HB CYS 1 1HB CYS 1 -11.757 -5.698 -12.553
5 2HB CYS 1 2HB CYS 1 -10.645 -6.013 -13.897
6 HG CYS 1 HG CYS 1 -10.921 -8.144 -12.388
7 H ALA 2 H ALA 2 -12.200 -3.527 -12.992
8 HA ALA 2 HA ALA 2 -11.314 -1.667 -15.185
9 1HB ALA 2 1HB ALA 2 -13.491 -2.934 -15.242
10 2HB ALA 2 2HB ALA 2 -14.078 -2.028 -13.823
11 3HB ALA 2 3HB ALA 2 -13.756 -1.187 -15.350
12 H LYS 3 H LYS 3 -9.798 -0.587 -13.793
13 HA LYS 3 HA LYS 3 -8.909 1.291 -12.581
14 1HB LYS 3 1HB LYS 3 -11.659 2.555 -13.205
15 2HB LYS 3 2HB LYS 3 -10.341 3.410 -12.440
16 1HG LYS 3 1HG LYS 3 -8.881 3.118 -14.465
17 2HG LYS 3 2HG LYS 3 -10.137 2.171 -15.261
18 1HD LYS 3 1HD LYS 3 -11.731 4.132 -15.113
19 2HD LYS 3 2HD LYS 3 -10.491 5.125 -14.383
20 1HE LYS 3 1HE LYS 3 -10.325 3.853 -17.223
21 2HE LYS 3 2HE LYS 3 -10.910 5.479 -16.902
22 1HZ LYS 3 1HZ LYS 3 -8.683 6.055 -15.940
23 2HZ LYS 3 2HZ LYS 3 -8.124 4.542 -16.213
24 3HZ LYS 3 3HZ LYS 3 -8.491 5.520 -17.483
25 H VAL 4 H VAL 4 -9.057 -0.391 -10.956
26 HA VAL 4 HA VAL 4 -9.651 -1.503 -8.977
27 HB VAL 4 HB VAL 4 -10.164 -0.207 -6.938
28 1HG1 VAL 4 1HG1 VAL 4 -7.793 -0.651 -7.638
29 2HG1 VAL 4 2HG1 VAL 4 -7.735 0.935 -8.438
30 3HG1 VAL 4 3HG1 VAL 4 -7.949 0.832 -6.675
31 1HG2 VAL 4 1HG2 VAL 4 -11.398 1.827 -7.759
32 2HG2 VAL 4 2HG2 VAL 4 -10.019 2.233 -6.725
33 3HG2 VAL 4 3HG2 VAL 4 -9.898 2.438 -8.486
34 H LYS 5 H LYS 5 -11.232 -2.801 -9.614
35 HA LYS 5 HA LYS 5 -13.975 -2.304 -8.623
36 1HB LYS 5 1HB LYS 5 -13.608 -1.482 -11.326
37 2HB LYS 5 2HB LYS 5 -14.080 -3.117 -11.555
38 1HG LYS 5 1HG LYS 5 -16.100 -1.862 -11.668
39 2HG LYS 5 2HG LYS 5 -16.167 -2.715 -10.147
40 1HD LYS 5 1HD LYS 5 -16.988 -0.562 -9.666
41 2HD LYS 5 2HD LYS 5 -15.407 -0.540 -8.941
42 1HE LYS 5 1HE LYS 5 -16.083 0.704 -11.721
43 2HE LYS 5 2HE LYS 5 -16.187 1.578 -10.201
44 1HZ LYS 5 1HZ LYS 5 -13.641 0.702 -9.965
45 2HZ LYS 5 2HZ LYS 5 -13.694 0.696 -11.597
46 3HZ LYS 5 3HZ LYS 5 -13.960 2.085 -10.783
47 H GLY 6 H GLY 6 -13.222 -3.966 -7.323
48 1HA GLY 6 1HA GLY 6 -12.632 -6.703 -8.576
49 2HA GLY 6 2HA GLY 6 -11.357 -5.802 -7.778
50 H ILE 7 H ILE 7 -10.985 -7.235 -6.126
51 HA ILE 7 HA ILE 7 -13.293 -8.489 -4.636
52 HB ILE 7 HB ILE 7 -11.537 -9.891 -5.707
53 1HG1 ILE 7 1HG1 ILE 7 -10.999 -11.388 -3.756
54 2HG1 ILE 7 2HG1 ILE 7 -11.486 -10.145 -2.619
55 1HG2 ILE 7 1HG2 ILE 7 -9.461 -8.476 -5.381
56 2HG2 ILE 7 2HG2 ILE 7 -9.521 -8.751 -3.631
57 3HG2 ILE 7 3HG2 ILE 7 -9.223 -10.102 -4.749
58 1HD1 ILE 7 1HD1 ILE 7 -13.374 -11.473 -4.703
59 2HD1 ILE 7 2HD1 ILE 7 -13.252 -11.925 -2.987
60 3HD1 ILE 7 3HD1 ILE 7 -13.880 -10.331 -3.431
61 H THR 8 H THR 8 -14.009 -7.694 -2.861
62 HA THR 8 HA THR 8 -12.929 -5.395 -1.549
63 HB THR 8 HB THR 8 -15.154 -7.293 -0.528
64 HG1 THR 8 HG1 THR 8 -15.542 -5.011 -2.133
65 1HG2 THR 8 1HG2 THR 8 -14.808 -4.213 -0.191
66 2HG2 THR 8 2HG2 THR 8 -16.241 -5.152 0.304
67 3HG2 THR 8 3HG2 THR 8 -14.684 -5.422 1.108
68 H GLN 9 H GLN 9 -12.749 -8.770 -0.245
69 HA GLN 9 HA GLN 9 -10.896 -7.807 1.855
70 1HB GLN 9 1HB GLN 9 -12.035 -8.963 3.708
71 2HB GLN 9 2HB GLN 9 -13.076 -7.727 3.047
72 1HG GLN 9 1HG GLN 9 -14.477 -9.453 1.872
73 2HG GLN 9 2HG GLN 9 -13.409 -10.742 2.380
74 1HE2 GLN 9 2HE2 GLN 9 -13.379 -11.275 4.683
75 2HE2 GLN 9 1HE2 GLN 9 -14.851 -10.805 5.694
76 H GLY 10 H GLY 10 -8.906 -9.883 1.332
77 1HA GLY 10 1HA GLY 10 -10.059 -8.790 -1.254
78 2HA GLY 10 2HA GLY 10 -9.643 -7.638 -0.011
79 HA PRO 11 HA PRO 11 -5.345 -8.707 -1.804
80 1HB PRO 11 1HB PRO 11 -4.933 -10.765 -3.594
81 2HB PRO 11 2HB PRO 11 -5.065 -11.042 -1.853
82 1HG PRO 11 1HG PRO 11 -7.284 -11.356 -3.951
83 2HG PRO 11 2HG PRO 11 -6.771 -12.547 -2.732
84 1HD PRO 11 1HD PRO 11 -8.929 -10.854 -2.297
85 2HD PRO 11 2HD PRO 11 -7.866 -11.361 -0.956
86 H ASN 12 H ASN 12 -7.250 -7.008 -2.752
87 HA ASN 12 HA ASN 12 -6.732 -6.558 -5.744
88 1HB ASN 12 1HB ASN 12 -9.050 -6.219 -4.672
89 2HB ASN 12 2HB ASN 12 -8.409 -4.907 -3.718
90 1HD2 ASN 12 2HD2 ASN 12 -7.621 -3.028 -4.988
91 2HD2 ASN 12 1HD2 ASN 12 -8.419 -2.724 -6.625
92 H GLU 13 H GLU 13 -4.534 -6.602 -5.021
93 HA GLU 13 HA GLU 13 -3.385 -4.424 -3.388
94 1HB GLU 13 1HB GLU 13 -1.481 -5.971 -3.316
95 2HB GLU 13 2HB GLU 13 -2.932 -6.908 -3.186
96 1HG GLU 13 1HG GLU 13 -2.673 -7.616 -5.636
97 2HG GLU 13 2HG GLU 13 -1.212 -6.646 -5.759
98 HE2 GLU 13 HE2 GLU 13 -0.426 -10.142 -5.183
99 H SER 14 H SER 14 -3.542 -4.386 -6.751
100 HA SER 14 HA SER 14 -1.101 -2.828 -7.381
101 1HB SER 14 1HB SER 14 -2.697 -3.886 -9.084
102 2HB SER 14 2HB SER 14 -3.919 -2.675 -8.681
103 HG SER 14 HG SER 14 -2.066 -1.118 -9.166
104 HA PRO 15 HA PRO 15 -3.262 1.363 -6.204
105 1HB PRO 15 1HB PRO 15 -5.287 1.438 -4.305
106 2HB PRO 15 2HB PRO 15 -5.592 1.224 -6.039
107 1HG PRO 15 1HG PRO 15 -5.319 -1.013 -3.926
108 2HG PRO 15 2HG PRO 15 -6.668 -0.748 -5.004
109 1HD PRO 15 1HD PRO 15 -4.765 -2.518 -5.681
110 2HD PRO 15 2HD PRO 15 -5.356 -1.438 -6.971
111 H SER 16 H SER 16 -3.427 -0.836 -3.352
112 HA SER 16 HA SER 16 -0.877 -0.012 -2.351
113 1HB SER 16 1HB SER 16 -3.209 1.439 -0.912
114 2HB SER 16 2HB SER 16 -1.639 1.202 -0.143
115 HG SER 16 HG SER 16 -1.700 2.251 -2.760
116 H ALA 17 H ALA 17 -1.112 -2.319 -2.489
117 HA ALA 17 HA ALA 17 -0.861 -3.122 0.399
118 1HB ALA 17 1HB ALA 17 -3.159 -4.032 -0.155
119 2HB ALA 17 2HB ALA 17 -2.470 -5.012 -1.465
120 3HB ALA 17 3HB ALA 17 -2.007 -5.326 0.215
121 H PHE 18 H PHE 18 -0.294 -4.225 -3.021
122 HA PHE 18 HA PHE 18 2.255 -5.652 -2.374
123 1HB PHE 18 1HB PHE 18 0.772 -5.885 -4.523
124 2HB PHE 18 2HB PHE 18 1.361 -4.330 -5.037
125 HD1 PHE 18 HD1 PHE 18 2.234 -7.898 -4.452
126 HD2 PHE 18 HD2 PHE 18 3.778 -4.108 -5.774
127 HE1 PHE 18 HE1 PHE 18 4.221 -9.020 -5.378
128 HE2 PHE 18 HE2 PHE 18 5.755 -5.248 -6.698
129 HZ PHE 18 HZ PHE 18 5.983 -7.699 -6.498
130 H LEU 19 H LEU 19 1.491 -2.323 -3.297
131 HA LEU 19 HA LEU 19 4.088 -1.001 -3.118
132 1HB LEU 19 1HB LEU 19 1.245 -0.174 -2.200
133 2HB LEU 19 2HB LEU 19 2.561 0.919 -2.129
134 HG LEU 19 HG LEU 19 1.284 1.507 -3.997
135 1HD1 LEU 19 1HD1 LEU 19 3.776 1.734 -4.296
136 2HD1 LEU 19 2HD1 LEU 19 3.817 0.167 -5.142
137 3HD1 LEU 19 3HD1 LEU 19 2.924 1.535 -5.840
138 1HD2 LEU 19 1HD2 LEU 19 0.121 -0.658 -4.526
139 2HD2 LEU 19 2HD2 LEU 19 0.755 0.162 -5.957
140 3HD2 LEU 19 3HD2 LEU 19 1.604 -1.255 -5.319
141 H GLU 20 H GLU 20 1.903 -1.828 -0.307
142 HA GLU 20 HA GLU 20 3.906 -1.095 1.654
143 1HB GLU 20 1HB GLU 20 1.353 -2.863 1.779
144 2HB GLU 20 2HB GLU 20 2.323 -2.556 3.197
145 1HG GLU 20 1HG GLU 20 1.922 -0.091 3.063
146 2HG GLU 20 2HG GLU 20 1.032 -0.274 1.558
147 HE2 GLU 20 HE2 GLU 20 -1.858 -1.390 3.004
148 H ARG 21 H ARG 21 3.163 -4.385 0.294
149 HA ARG 21 HA ARG 21 5.186 -5.858 1.673
150 1HB ARG 21 1HB ARG 21 4.554 -6.071 -1.347
151 2HB ARG 21 2HB ARG 21 5.399 -7.275 -0.403
152 1HG ARG 21 1HG ARG 21 3.273 -7.629 1.001
153 2HG ARG 21 2HG ARG 21 2.445 -6.491 -0.036
154 1HD ARG 21 1HD ARG 21 3.376 -8.095 -2.034
155 2HD ARG 21 2HD ARG 21 3.506 -9.291 -0.774
156 HE ARG 21 HE ARG 21 1.014 -8.336 -2.101
157 1HH1 ARG 21 1HH1 ARG 21 2.061 -9.570 0.968
158 2HH1 ARG 21 2HH1 ARG 21 0.405 -10.273 1.319
159 1HH2 ARG 21 1HH2 ARG 21 -0.770 -9.129 -1.717
160 2HH2 ARG 21 2HH2 ARG 21 -1.144 -10.015 -0.158
161 H LEU 22 H LEU 22 5.674 -3.797 -1.263
162 HA LEU 22 HA LEU 22 8.565 -3.980 -1.346
163 1HB LEU 22 1HB LEU 22 6.629 -1.790 -2.342
164 2HB LEU 22 2HB LEU 22 8.331 -1.827 -2.735
165 HG LEU 22 HG LEU 22 6.334 -4.012 -3.581
166 1HD1 LEU 22 1HD1 LEU 22 5.857 -1.826 -4.694
167 2HD1 LEU 22 2HD1 LEU 22 7.558 -1.676 -5.200
168 3HD1 LEU 22 3HD1 LEU 22 6.533 -2.974 -5.862
169 1HD2 LEU 22 1HD2 LEU 22 9.289 -3.562 -4.406
170 2HD2 LEU 22 2HD2 LEU 22 8.658 -4.933 -3.462
171 3HD2 LEU 22 3HD2 LEU 22 8.181 -4.740 -5.155
172 H LYS 23 H LYS 23 6.378 -1.735 0.448
173 HA LYS 23 HA LYS 23 8.567 0.037 1.469
174 1HB LYS 23 1HB LYS 23 5.649 -0.528 2.300
175 2HB LYS 23 2HB LYS 23 6.636 0.428 3.340
176 1HG LYS 23 1HG LYS 23 6.588 1.312 0.407
177 2HG LYS 23 2HG LYS 23 5.113 1.468 1.318
178 1HD LYS 23 1HD LYS 23 6.307 3.572 1.444
179 2HD LYS 23 2HD LYS 23 6.151 2.867 3.045
180 1HE LYS 23 1HE LYS 23 8.582 2.049 2.918
181 2HE LYS 23 2HE LYS 23 8.739 2.769 1.313
182 1HZ LYS 23 1HZ LYS 23 7.819 4.437 3.642
183 2HZ LYS 23 2HZ LYS 23 9.421 4.222 3.413
184 3HZ LYS 23 3HZ LYS 23 8.506 4.979 2.254
185 H GLU 24 H GLU 24 7.115 -2.982 2.787
186 HA GLU 24 HA GLU 24 8.670 -3.040 5.244
187 1HB GLU 24 1HB GLU 24 7.409 -5.284 3.526
188 2HB GLU 24 2HB GLU 24 8.181 -5.603 5.060
189 1HG GLU 24 1HG GLU 24 5.699 -3.783 4.747
190 2HG GLU 24 2HG GLU 24 5.662 -5.480 5.180
191 HE2 GLU 24 HE2 GLU 24 6.514 -2.733 7.900
192 H ALA 25 H ALA 25 9.293 -4.534 2.021
193 HA ALA 25 HA ALA 25 11.960 -5.495 2.556
194 1HB ALA 25 1HB ALA 25 10.556 -6.155 0.551
195 2HB ALA 25 2HB ALA 25 10.705 -4.510 -0.116
196 3HB ALA 25 3HB ALA 25 12.139 -5.550 0.028
197 H TYR 26 H TYR 26 11.133 -2.297 0.921
198 HA TYR 26 HA TYR 26 13.743 -1.161 1.011
199 1HB TYR 26 1HB TYR 26 11.075 0.299 1.512
200 2HB TYR 26 2HB TYR 26 12.556 1.079 1.015
201 HD1 TYR 26 HD1 TYR 26 13.237 -1.155 -1.267
202 HD2 TYR 26 HD2 TYR 26 9.817 1.273 -0.296
203 HE1 TYR 26 HE1 TYR 26 12.470 -1.290 -3.587
204 HE2 TYR 26 HE2 TYR 26 9.064 1.120 -2.633
205 HH TYR 26 HH TYR 26 10.893 -0.720 -5.048
206 H ARG 27 H ARG 27 11.389 -1.194 3.712
207 HA ARG 27 HA ARG 27 13.037 0.346 5.605
208 1HB ARG 27 1HB ARG 27 10.413 -0.800 5.583
209 2HB ARG 27 2HB ARG 27 11.194 -1.825 6.730
210 1HG ARG 27 1HG ARG 27 11.444 1.259 6.986
211 2HG ARG 27 2HG ARG 27 9.918 0.501 7.310
212 1HD ARG 27 1HD ARG 27 11.059 0.896 9.390
213 2HD ARG 27 2HD ARG 27 10.837 -0.853 9.170
214 HE ARG 27 HE ARG 27 13.411 -0.509 8.105
215 1HH1 ARG 27 1HH1 ARG 27 12.093 0.488 11.163
216 2HH1 ARG 27 2HH1 ARG 27 13.702 0.238 12.002
217 1HH2 ARG 27 1HH2 ARG 27 15.136 -0.784 9.029
218 2HH2 ARG 27 2HH2 ARG 27 15.369 -0.473 10.817
219 H ARG 28 H ARG 28 13.415 -3.106 4.641
220 HA ARG 28 HA ARG 28 15.260 -3.902 6.724
221 1HB ARG 28 1HB ARG 28 14.144 -5.448 5.101
222 2HB ARG 28 2HB ARG 28 14.899 -4.635 3.744
223 1HG ARG 28 1HG ARG 28 15.895 -6.778 4.054
224 2HG ARG 28 2HG ARG 28 17.109 -5.559 4.259
225 1HD ARG 28 1HD ARG 28 15.691 -6.874 6.687
226 2HD ARG 28 2HD ARG 28 17.057 -7.647 5.855
227 HE ARG 28 HE ARG 28 17.718 -4.825 6.506
228 1HH1 ARG 28 1HH1 ARG 28 17.506 -7.942 8.049
229 2HH1 ARG 28 2HH1 ARG 28 18.661 -7.440 9.378
230 1HH2 ARG 28 1HH2 ARG 28 19.006 -4.304 7.978
231 2HH2 ARG 28 2HH2 ARG 28 19.474 -5.444 9.323
232 H TYR 29 H TYR 29 15.684 -1.929 3.830
233 HA TYR 29 HA TYR 29 18.736 -1.904 4.117
234 1HB TYR 29 1HB TYR 29 16.994 -0.845 1.796
235 2HB TYR 29 2HB TYR 29 18.714 -1.086 1.766
236 HD1 TYR 29 HD1 TYR 29 19.501 -3.683 2.340
237 HD2 TYR 29 HD2 TYR 29 15.607 -2.552 0.912
238 HE1 TYR 29 HE1 TYR 29 18.989 -6.035 1.818
239 HE2 TYR 29 HE2 TYR 29 15.109 -4.878 0.402
240 HH TYR 29 HH TYR 29 15.912 -6.983 0.334
241 H THR 30 H THR 30 16.004 0.420 4.016
242 HA THR 30 HA THR 30 17.887 2.634 4.997
243 HB THR 30 HB THR 30 15.389 2.960 3.245
244 HG1 THR 30 HG1 THR 30 17.499 2.203 2.378
245 1HG2 THR 30 1HG2 THR 30 17.391 5.106 4.225
246 2HG2 THR 30 2HG2 THR 30 16.084 5.360 3.042
247 3HG2 THR 30 3HG2 THR 30 15.680 4.970 4.722
248 HA PRO 31 HA PRO 31 15.152 2.135 8.688
249 1HB PRO 31 1HB PRO 31 15.646 5.180 8.946
250 2HB PRO 31 2HB PRO 31 15.696 3.960 10.232
251 1HG PRO 31 1HG PRO 31 18.034 4.816 9.167
252 2HG PRO 31 2HG PRO 31 17.819 3.070 9.417
253 1HD PRO 31 1HD PRO 31 17.566 4.624 6.780
254 2HD PRO 31 2HD PRO 31 18.330 3.033 7.098
255 H TYR 32 H TYR 32 14.364 4.878 6.617
256 HA TYR 32 HA TYR 32 11.367 4.590 7.238
257 1HB TYR 32 1HB TYR 32 11.127 6.685 5.949
258 2HB TYR 32 2HB TYR 32 12.218 6.859 7.276
259 HD1 TYR 32 HD1 TYR 32 12.064 6.621 3.524
260 HD2 TYR 32 HD2 TYR 32 14.524 7.602 6.914
261 HE1 TYR 32 HE1 TYR 32 13.733 7.626 2.029
262 HE2 TYR 32 HE2 TYR 32 16.186 8.614 5.401
263 HH TYR 32 HH TYR 32 15.715 8.633 1.886
Start of MODEL 5
1 1H CYS 1 1H CYS 1 -5.926 9.139 2.020
2 2H CYS 1 2H CYS 1 -7.378 8.820 2.713
3 HA CYS 1 HA CYS 1 -7.608 8.627 0.330
4 1HB CYS 1 1HB CYS 1 -9.587 10.103 0.155
5 2HB CYS 1 2HB CYS 1 -9.529 9.352 1.747
6 HG CYS 1 HG CYS 1 -8.570 11.424 3.037
7 H ALA 2 H ALA 2 -5.498 9.071 -0.550
8 HA ALA 2 HA ALA 2 -5.308 11.742 -2.032
9 1HB ALA 2 1HB ALA 2 -3.950 11.923 0.083
10 2HB ALA 2 2HB ALA 2 -3.032 10.457 -0.339
11 3HB ALA 2 3HB ALA 2 -2.883 11.930 -1.331
12 H LYS 3 H LYS 3 -4.400 11.682 -3.944
13 HA LYS 3 HA LYS 3 -3.269 10.919 -5.960
14 1HB LYS 3 1HB LYS 3 -3.471 8.017 -4.966
15 2HB LYS 3 2HB LYS 3 -2.814 8.518 -6.499
16 1HG LYS 3 1HG LYS 3 -0.907 9.684 -5.481
17 2HG LYS 3 2HG LYS 3 -1.560 9.526 -3.870
18 1HD LYS 3 1HD LYS 3 -0.471 7.269 -5.652
19 2HD LYS 3 2HD LYS 3 0.266 7.917 -4.210
20 1HE LYS 3 1HE LYS 3 -2.238 6.119 -4.391
21 2HE LYS 3 2HE LYS 3 -0.673 5.705 -3.714
22 1HZ LYS 3 1HZ LYS 3 -1.109 7.509 -1.956
23 2HZ LYS 3 2HZ LYS 3 -2.621 7.716 -2.572
24 3HZ LYS 3 3HZ LYS 3 -2.211 6.282 -1.874
25 H VAL 4 H VAL 4 -4.790 11.302 -7.444
26 HA VAL 4 HA VAL 4 -7.580 10.015 -7.203
27 HB VAL 4 HB VAL 4 -8.381 12.012 -8.459
28 1HG1 VAL 4 1HG1 VAL 4 -8.628 11.908 -5.988
29 2HG1 VAL 4 2HG1 VAL 4 -7.068 12.726 -5.769
30 3HG1 VAL 4 3HG1 VAL 4 -8.428 13.579 -6.538
31 1HG2 VAL 4 1HG2 VAL 4 -6.275 12.893 -9.541
32 2HG2 VAL 4 2HG2 VAL 4 -7.139 14.134 -8.620
33 3HG2 VAL 4 3HG2 VAL 4 -5.671 13.397 -7.945
34 H LYS 5 H LYS 5 -6.445 8.232 -8.225
35 HA LYS 5 HA LYS 5 -7.449 8.193 -11.069
36 1HB LYS 5 1HB LYS 5 -4.679 7.002 -10.380
37 2HB LYS 5 2HB LYS 5 -5.615 6.550 -11.791
38 1HG LYS 5 1HG LYS 5 -5.593 8.968 -12.602
39 2HG LYS 5 2HG LYS 5 -4.608 9.409 -11.211
40 1HD LYS 5 1HD LYS 5 -2.810 7.766 -11.966
41 2HD LYS 5 2HD LYS 5 -3.786 7.360 -13.380
42 1HE LYS 5 1HE LYS 5 -3.689 9.812 -14.141
43 2HE LYS 5 2HE LYS 5 -2.706 10.206 -12.728
44 1HZ LYS 5 1HZ LYS 5 -1.000 8.558 -13.541
45 2HZ LYS 5 2HZ LYS 5 -1.908 8.207 -14.858
46 3HZ LYS 5 3HZ LYS 5 -1.254 9.707 -14.688
47 H GLY 6 H GLY 6 -9.071 7.575 -9.540
48 1HA GLY 6 1HA GLY 6 -9.610 4.977 -8.380
49 2HA GLY 6 2HA GLY 6 -8.325 5.739 -7.429
50 H ILE 7 H ILE 7 -11.027 5.112 -6.593
51 HA ILE 7 HA ILE 7 -12.372 7.757 -6.100
52 HB ILE 7 HB ILE 7 -13.630 5.559 -6.309
53 1HG1 ILE 7 1HG1 ILE 7 -14.147 6.937 -3.587
54 2HG1 ILE 7 2HG1 ILE 7 -14.485 7.717 -5.122
55 1HG2 ILE 7 1HG2 ILE 7 -12.100 4.065 -4.873
56 2HG2 ILE 7 2HG2 ILE 7 -12.633 4.931 -3.418
57 3HG2 ILE 7 3HG2 ILE 7 -13.790 3.978 -4.372
58 1HD1 ILE 7 1HD1 ILE 7 -16.094 5.865 -5.763
59 2HD1 ILE 7 2HD1 ILE 7 -15.832 5.111 -4.169
60 3HD1 ILE 7 3HD1 ILE 7 -16.563 6.725 -4.281
61 H THR 8 H THR 8 -12.171 9.070 -4.395
62 HA THR 8 HA THR 8 -10.439 8.305 -1.974
63 HB THR 8 HB THR 8 -9.353 10.629 -2.086
64 HG1 THR 8 HG1 THR 8 -10.118 10.436 -4.799
65 1HG2 THR 8 1HG2 THR 8 -8.018 8.593 -2.772
66 2HG2 THR 8 2HG2 THR 8 -8.615 8.743 -4.442
67 3HG2 THR 8 3HG2 THR 8 -7.585 10.012 -3.745
68 H GLN 9 H GLN 9 -12.762 8.056 -1.344
69 HA GLN 9 HA GLN 9 -13.350 10.172 0.476
70 1HB GLN 9 1HB GLN 9 -15.621 9.514 -1.531
71 2HB GLN 9 2HB GLN 9 -15.911 10.220 0.045
72 1HG GLN 9 1HG GLN 9 -14.493 12.241 -0.575
73 2HG GLN 9 2HG GLN 9 -14.261 11.560 -2.179
74 1HE2 GLN 9 2HE2 GLN 9 -15.326 13.214 -3.268
75 2HE2 GLN 9 1HE2 GLN 9 -17.124 13.545 -3.015
76 H GLY 10 H GLY 10 -12.459 8.341 1.497
77 1HA GLY 10 1HA GLY 10 -12.627 5.838 2.262
78 2HA GLY 10 2HA GLY 10 -13.806 5.629 0.988
79 HA PRO 11 HA PRO 11 -9.493 6.197 -1.239
80 1HB PRO 11 1HB PRO 11 -7.434 4.614 -0.077
81 2HB PRO 11 2HB PRO 11 -7.689 6.338 0.194
82 1HG PRO 11 1HG PRO 11 -8.711 4.010 1.909
83 2HG PRO 11 2HG PRO 11 -7.847 5.467 2.461
84 1HD PRO 11 1HD PRO 11 -10.534 5.409 2.680
85 2HD PRO 11 2HD PRO 11 -9.778 6.886 1.968
86 H ASN 12 H ASN 12 -9.249 5.087 -2.845
87 HA ASN 12 HA ASN 12 -10.446 2.687 -3.630
88 1HB ASN 12 1HB ASN 12 -9.199 4.603 -5.025
89 2HB ASN 12 2HB ASN 12 -7.771 3.611 -4.935
90 1HD2 ASN 12 2HD2 ASN 12 -7.875 1.564 -6.173
91 2HD2 ASN 12 1HD2 ASN 12 -9.171 1.405 -7.472
92 H GLU 13 H GLU 13 -7.209 2.707 -2.287
93 HA GLU 13 HA GLU 13 -5.778 1.008 -1.392
94 1HB GLU 13 1HB GLU 13 -8.629 -0.168 -1.029
95 2HB GLU 13 2HB GLU 13 -7.223 -0.877 -0.269
96 1HG GLU 13 1HG GLU 13 -6.717 1.198 1.001
97 2HG GLU 13 2HG GLU 13 -8.039 2.051 0.218
98 HE2 GLU 13 HE2 GLU 13 -9.260 1.167 3.382
99 H SER 14 H SER 14 -7.497 -0.308 -4.139
100 HA SER 14 HA SER 14 -6.579 -2.939 -4.288
101 1HB SER 14 1HB SER 14 -8.048 -1.847 -5.971
102 2HB SER 14 2HB SER 14 -6.727 -0.872 -6.602
103 HG SER 14 HG SER 14 -6.762 -3.731 -6.603
104 HA PRO 15 HA PRO 15 -1.986 -2.448 -5.632
105 1HB PRO 15 1HB PRO 15 -0.726 -0.012 -5.916
106 2HB PRO 15 2HB PRO 15 -1.723 -0.719 -7.194
107 1HG PRO 15 1HG PRO 15 -2.580 1.388 -5.130
108 2HG PRO 15 2HG PRO 15 -2.757 1.470 -6.899
109 1HD PRO 15 1HD PRO 15 -4.826 0.629 -5.272
110 2HD PRO 15 2HD PRO 15 -4.583 -0.089 -6.895
111 H SER 16 H SER 16 -3.278 -0.691 -2.957
112 HA SER 16 HA SER 16 -0.985 0.105 -1.541
113 1HB SER 16 1HB SER 16 -2.430 0.232 0.467
114 2HB SER 16 2HB SER 16 -3.327 0.771 -0.939
115 HG SER 16 HG SER 16 -4.404 -1.253 -0.990
116 H ALA 17 H ALA 17 -2.478 -3.149 -1.054
117 HA ALA 17 HA ALA 17 -0.446 -4.103 0.879
118 1HB ALA 17 1HB ALA 17 -2.707 -5.188 0.518
119 2HB ALA 17 2HB ALA 17 -2.234 -5.678 -1.131
120 3HB ALA 17 3HB ALA 17 -1.408 -6.369 0.283
121 H PHE 18 H PHE 18 -0.406 -4.182 -2.678
122 HA PHE 18 HA PHE 18 2.223 -5.624 -2.912
123 1HB PHE 18 1HB PHE 18 0.370 -5.453 -4.735
124 2HB PHE 18 2HB PHE 18 0.717 -3.758 -4.898
125 HD1 PHE 18 HD1 PHE 18 2.957 -3.023 -5.914
126 HD2 PHE 18 HD2 PHE 18 1.776 -7.156 -5.766
127 HE1 PHE 18 HE1 PHE 18 4.565 -3.555 -7.702
128 HE2 PHE 18 HE2 PHE 18 3.381 -7.672 -7.565
129 HZ PHE 18 HZ PHE 18 4.767 -5.872 -8.543
130 H LEU 19 H LEU 19 1.263 -2.199 -2.945
131 HA LEU 19 HA LEU 19 3.962 -1.013 -3.020
132 1HB LEU 19 1HB LEU 19 1.496 0.055 -3.239
133 2HB LEU 19 2HB LEU 19 1.501 0.103 -1.513
134 HG LEU 19 HG LEU 19 3.623 1.547 -1.593
135 1HD1 LEU 19 1HD1 LEU 19 2.989 1.659 -4.630
136 2HD1 LEU 19 2HD1 LEU 19 4.134 2.726 -3.785
137 3HD1 LEU 19 3HD1 LEU 19 4.465 0.993 -3.901
138 1HD2 LEU 19 1HD2 LEU 19 1.335 2.533 -1.271
139 2HD2 LEU 19 2HD2 LEU 19 2.345 3.625 -2.245
140 3HD2 LEU 19 3HD2 LEU 19 1.102 2.623 -3.033
141 H GLU 20 H GLU 20 1.928 -1.697 -0.106
142 HA GLU 20 HA GLU 20 4.046 -1.251 1.773
143 1HB GLU 20 1HB GLU 20 1.502 -3.027 1.916
144 2HB GLU 20 2HB GLU 20 2.532 -2.845 3.309
145 1HG GLU 20 1HG GLU 20 1.140 -0.452 1.928
146 2HG GLU 20 2HG GLU 20 0.487 -1.330 3.291
147 HE2 GLU 20 HE2 GLU 20 2.388 0.242 5.629
148 H ARG 21 H ARG 21 3.235 -4.480 0.277
149 HA ARG 21 HA ARG 21 5.324 -6.031 1.437
150 1HB ARG 21 1HB ARG 21 3.501 -6.763 -0.196
151 2HB ARG 21 2HB ARG 21 4.301 -5.869 -1.470
152 1HG ARG 21 1HG ARG 21 6.371 -7.492 -1.050
153 2HG ARG 21 2HG ARG 21 5.268 -8.424 -0.060
154 1HD ARG 21 1HD ARG 21 5.232 -9.449 -2.282
155 2HD ARG 21 2HD ARG 21 3.693 -8.666 -2.054
156 HE ARG 21 HE ARG 21 4.190 -7.083 -3.820
157 1HH1 ARG 21 1HH1 ARG 21 7.129 -8.705 -2.962
158 2HH1 ARG 21 2HH1 ARG 21 8.035 -7.986 -4.382
159 1HH2 ARG 21 1HH2 ARG 21 5.222 -6.283 -5.417
160 2HH2 ARG 21 2HH2 ARG 21 6.979 -6.674 -5.686
161 H LEU 22 H LEU 22 5.678 -3.662 -1.277
162 HA LEU 22 HA LEU 22 8.570 -3.937 -1.520
163 1HB LEU 22 1HB LEU 22 6.629 -1.694 -2.367
164 2HB LEU 22 2HB LEU 22 8.314 -1.713 -2.800
165 HG LEU 22 HG LEU 22 6.316 -3.891 -3.665
166 1HD1 LEU 22 1HD1 LEU 22 5.740 -1.676 -4.669
167 2HD1 LEU 22 2HD1 LEU 22 7.413 -1.462 -5.239
168 3HD1 LEU 22 3HD1 LEU 22 6.392 -2.756 -5.912
169 1HD2 LEU 22 1HD2 LEU 22 9.229 -3.321 -4.569
170 2HD2 LEU 22 2HD2 LEU 22 8.664 -4.761 -3.692
171 3HD2 LEU 22 3HD2 LEU 22 8.137 -4.476 -5.363
172 H LYS 23 H LYS 23 6.484 -1.606 0.366
173 HA LYS 23 HA LYS 23 8.832 0.025 1.298
174 1HB LYS 23 1HB LYS 23 5.922 -0.244 2.315
175 2HB LYS 23 2HB LYS 23 7.076 0.844 3.042
176 1HG LYS 23 1HG LYS 23 7.346 2.167 0.992
177 2HG LYS 23 2HG LYS 23 6.368 1.047 0.051
178 1HD LYS 23 1HD LYS 23 4.347 1.525 1.368
179 2HD LYS 23 2HD LYS 23 5.200 2.537 2.505
180 1HE LYS 23 1HE LYS 23 4.946 3.176 -0.533
181 2HE LYS 23 2HE LYS 23 3.780 3.719 0.668
182 1HZ LYS 23 1HZ LYS 23 5.618 4.920 1.848
183 2HZ LYS 23 2HZ LYS 23 6.717 4.414 0.748
184 3HZ LYS 23 3HZ LYS 23 5.527 5.455 0.294
185 H GLU 24 H GLU 24 7.065 -2.744 2.781
186 HA GLU 24 HA GLU 24 8.582 -2.836 5.258
187 1HB GLU 24 1HB GLU 24 7.048 -4.983 3.630
188 2HB GLU 24 2HB GLU 24 7.736 -5.317 5.208
189 1HG GLU 24 1HG GLU 24 6.261 -3.674 6.336
190 2HG GLU 24 2HG GLU 24 5.618 -3.109 4.800
191 HE2 GLU 24 HE2 GLU 24 4.235 -6.435 6.449
192 H ALA 25 H ALA 25 9.253 -4.269 2.034
193 HA ALA 25 HA ALA 25 11.805 -5.490 2.823
194 1HB ALA 25 1HB ALA 25 10.490 -6.220 0.784
195 2HB ALA 25 2HB ALA 25 10.717 -4.620 0.047
196 3HB ALA 25 3HB ALA 25 12.114 -5.682 0.320
197 H TYR 26 H TYR 26 11.101 -2.367 1.084
198 HA TYR 26 HA TYR 26 13.798 -1.454 1.031
199 1HB TYR 26 1HB TYR 26 11.192 0.222 1.151
200 2HB TYR 26 2HB TYR 26 12.727 0.829 0.592
201 HD1 TYR 26 HD1 TYR 26 12.819 -2.239 -1.107
202 HD2 TYR 26 HD2 TYR 26 10.535 1.409 -0.970
203 HE1 TYR 26 HE1 TYR 26 12.145 -2.566 -3.439
204 HE2 TYR 26 HE2 TYR 26 9.862 1.055 -3.309
205 HH TYR 26 HH TYR 26 11.017 -1.718 -5.181
206 H ARG 27 H ARG 27 11.605 -1.021 3.816
207 HA ARG 27 HA ARG 27 13.516 0.815 5.251
208 1HB ARG 27 1HB ARG 27 10.982 0.499 5.698
209 2HB ARG 27 2HB ARG 27 11.333 -1.026 6.473
210 1HG ARG 27 1HG ARG 27 12.808 1.545 7.359
211 2HG ARG 27 2HG ARG 27 11.120 1.368 7.783
212 1HD ARG 27 1HD ARG 27 11.486 -0.650 9.106
213 2HD ARG 27 2HD ARG 27 13.169 -0.802 8.566
214 HE ARG 27 HE ARG 27 13.280 1.761 9.622
215 1HH1 ARG 27 1HH1 ARG 27 12.332 -1.291 10.994
216 2HH1 ARG 27 2HH1 ARG 27 12.984 -0.807 12.636
217 1HH2 ARG 27 1HH2 ARG 27 13.876 2.298 11.432
218 2HH2 ARG 27 2HH2 ARG 27 13.810 1.174 12.871
219 H ARG 28 H ARG 28 15.300 -0.427 4.458
220 HA ARG 28 HA ARG 28 16.564 -2.198 6.403
221 1HB ARG 28 1HB ARG 28 14.970 -3.589 4.558
222 2HB ARG 28 2HB ARG 28 16.367 -3.423 3.568
223 1HG ARG 28 1HG ARG 28 16.857 -5.478 4.571
224 2HG ARG 28 2HG ARG 28 17.697 -4.435 5.687
225 1HD ARG 28 1HD ARG 28 16.496 -5.844 7.146
226 2HD ARG 28 2HD ARG 28 15.469 -4.434 7.152
227 HE ARG 28 HE ARG 28 14.954 -7.101 5.704
228 1HH1 ARG 28 1HH1 ARG 28 13.608 -3.918 6.474
229 2HH1 ARG 28 2HH1 ARG 28 11.980 -4.484 5.857
230 1HH2 ARG 28 1HH2 ARG 28 13.022 -7.620 5.138
231 2HH2 ARG 28 2HH2 ARG 28 11.666 -6.399 5.281
232 H TYR 29 H TYR 29 16.795 -1.149 2.935
233 HA TYR 29 HA TYR 29 19.691 -0.297 3.304
234 1HB TYR 29 1HB TYR 29 19.591 0.401 1.005
235 2HB TYR 29 2HB TYR 29 18.872 -1.176 1.125
236 HD1 TYR 29 HD1 TYR 29 18.018 2.458 0.636
237 HD2 TYR 29 HD2 TYR 29 16.697 -1.615 0.232
238 HE1 TYR 29 HE1 TYR 29 16.043 3.211 -0.631
239 HE2 TYR 29 HE2 TYR 29 14.815 -0.866 -1.120
240 HH TYR 29 HH TYR 29 13.713 0.882 -1.978
241 H THR 30 H THR 30 16.525 1.249 3.662
242 HA THR 30 HA THR 30 17.923 3.893 4.348
243 HB THR 30 HB THR 30 14.963 3.602 3.664
244 HG1 THR 30 HG1 THR 30 16.546 3.261 1.938
245 1HG2 THR 30 1HG2 THR 30 16.761 6.121 3.873
246 2HG2 THR 30 2HG2 THR 30 15.049 6.103 3.400
247 3HG2 THR 30 3HG2 THR 30 15.503 5.657 5.055
248 HA PRO 31 HA PRO 31 16.676 2.403 8.565
249 1HB PRO 31 1HB PRO 31 16.971 5.409 9.209
250 2HB PRO 31 2HB PRO 31 17.593 4.024 10.129
251 1HG PRO 31 1HG PRO 31 19.291 5.420 8.534
252 2HG PRO 31 2HG PRO 31 19.367 3.642 8.512
253 1HD PRO 31 1HD PRO 31 18.012 5.477 6.447
254 2HD PRO 31 2HD PRO 31 19.032 4.024 6.196
255 H TYR 32 H TYR 32 15.011 5.212 7.242
256 HA TYR 32 HA TYR 32 12.378 4.017 8.150
257 1HB TYR 32 1HB TYR 32 13.135 6.944 8.827
258 2HB TYR 32 2HB TYR 32 11.487 6.393 8.756
259 HD1 TYR 32 HD1 TYR 32 10.684 4.501 10.323
260 HD2 TYR 32 HD2 TYR 32 14.466 6.478 10.855
261 HE1 TYR 32 HE1 TYR 32 10.797 3.679 12.643
262 HE2 TYR 32 HE2 TYR 32 14.563 5.654 13.170
263 HH TYR 32 HH TYR 32 13.453 4.578 14.799
Start of MODEL 6
1 1H CYS 1 1H CYS 1 -23.232 1.344 -7.360
2 2H CYS 1 2H CYS 1 -21.758 0.870 -7.871
3 HA CYS 1 HA CYS 1 -23.386 -0.471 -5.786
4 1HB CYS 1 1HB CYS 1 -24.279 -0.652 -8.127
5 2HB CYS 1 2HB CYS 1 -22.718 -1.270 -8.700
6 HG CYS 1 HG CYS 1 -24.404 -3.237 -8.500
7 H ALA 2 H ALA 2 -21.893 -1.046 -4.281
8 HA ALA 2 HA ALA 2 -19.138 -2.119 -5.055
9 1HB ALA 2 1HB ALA 2 -19.428 -0.166 -3.475
10 2HB ALA 2 2HB ALA 2 -20.370 -1.196 -2.359
11 3HB ALA 2 3HB ALA 2 -18.660 -1.540 -2.670
12 H LYS 3 H LYS 3 -21.647 -3.948 -5.128
13 HA LYS 3 HA LYS 3 -21.418 -5.868 -3.048
14 1HB LYS 3 1HB LYS 3 -22.484 -6.195 -5.926
15 2HB LYS 3 2HB LYS 3 -22.660 -7.423 -4.692
16 1HG LYS 3 1HG LYS 3 -23.958 -5.814 -3.216
17 2HG LYS 3 2HG LYS 3 -23.853 -4.584 -4.475
18 1HD LYS 3 1HD LYS 3 -25.047 -6.132 -6.096
19 2HD LYS 3 2HD LYS 3 -25.136 -7.376 -4.848
20 1HE LYS 3 1HE LYS 3 -26.525 -5.801 -3.379
21 2HE LYS 3 2HE LYS 3 -26.454 -4.564 -4.637
22 1HZ LYS 3 1HZ LYS 3 -27.624 -7.326 -5.049
23 2HZ LYS 3 2HZ LYS 3 -28.524 -5.967 -4.846
24 3HZ LYS 3 3HZ LYS 3 -27.594 -6.153 -6.189
25 H VAL 4 H VAL 4 -19.474 -6.663 -2.621
26 HA VAL 4 HA VAL 4 -17.278 -7.549 -2.751
27 HB VAL 4 HB VAL 4 -16.971 -9.740 -3.858
28 1HG1 VAL 4 1HG1 VAL 4 -17.919 -9.665 -1.550
29 2HG1 VAL 4 2HG1 VAL 4 -19.568 -9.719 -2.217
30 3HG1 VAL 4 3HG1 VAL 4 -18.465 -11.094 -2.447
31 1HG2 VAL 4 1HG2 VAL 4 -18.451 -9.566 -5.890
32 2HG2 VAL 4 2HG2 VAL 4 -18.707 -11.061 -4.965
33 3HG2 VAL 4 3HG2 VAL 4 -19.882 -9.729 -4.851
34 H LYS 5 H LYS 5 -17.413 -5.334 -4.156
35 HA LYS 5 HA LYS 5 -15.089 -5.520 -5.982
36 1HB LYS 5 1HB LYS 5 -16.130 -4.608 -8.034
37 2HB LYS 5 2HB LYS 5 -16.641 -6.232 -7.709
38 1HG LYS 5 1HG LYS 5 -18.875 -5.714 -7.399
39 2HG LYS 5 2HG LYS 5 -18.594 -4.185 -6.642
40 1HD LYS 5 1HD LYS 5 -18.550 -4.786 -9.651
41 2HD LYS 5 2HD LYS 5 -19.751 -3.876 -8.768
42 1HE LYS 5 1HE LYS 5 -16.888 -2.978 -9.483
43 2HE LYS 5 2HE LYS 5 -18.396 -2.325 -10.087
44 1HZ LYS 5 1HZ LYS 5 -18.914 -1.514 -7.761
45 2HZ LYS 5 2HZ LYS 5 -17.508 -2.148 -7.203
46 3HZ LYS 5 3HZ LYS 5 -17.418 -0.900 -8.260
47 H GLY 6 H GLY 6 -14.545 -4.201 -4.166
48 1HA GLY 6 1HA GLY 6 -16.325 -2.169 -3.176
49 2HA GLY 6 2HA GLY 6 -14.721 -2.446 -2.560
50 H ILE 7 H ILE 7 -12.946 -1.168 -3.524
51 HA ILE 7 HA ILE 7 -13.913 1.630 -4.292
52 HB ILE 7 HB ILE 7 -11.070 0.711 -3.530
53 1HG1 ILE 7 1HG1 ILE 7 -12.988 2.312 -1.701
54 2HG1 ILE 7 2HG1 ILE 7 -12.900 0.573 -1.616
55 1HG2 ILE 7 1HG2 ILE 7 -11.138 2.871 -4.891
56 2HG2 ILE 7 2HG2 ILE 7 -12.330 3.562 -3.769
57 3HG2 ILE 7 3HG2 ILE 7 -10.673 3.229 -3.229
58 1HD1 ILE 7 1HD1 ILE 7 -10.437 0.636 -1.084
59 2HD1 ILE 7 2HD1 ILE 7 -10.481 2.416 -1.097
60 3HD1 ILE 7 3HD1 ILE 7 -11.421 1.513 0.108
61 H THR 8 H THR 8 -14.547 0.981 -6.398
62 HA THR 8 HA THR 8 -12.321 0.352 -8.432
63 HB THR 8 HB THR 8 -14.076 -0.557 -9.873
64 HG1 THR 8 HG1 THR 8 -15.679 0.894 -8.997
65 1HG2 THR 8 1HG2 THR 8 -13.098 -2.134 -8.129
66 2HG2 THR 8 2HG2 THR 8 -14.433 -1.724 -7.027
67 3HG2 THR 8 3HG2 THR 8 -14.766 -2.560 -8.562
68 H GLN 9 H GLN 9 -11.625 2.498 -8.756
69 HA GLN 9 HA GLN 9 -12.768 3.540 -11.109
70 1HB GLN 9 1HB GLN 9 -14.243 4.879 -9.458
71 2HB GLN 9 2HB GLN 9 -12.787 5.605 -8.795
72 1HG GLN 9 1HG GLN 9 -12.294 6.564 -11.177
73 2HG GLN 9 2HG GLN 9 -13.821 5.883 -11.707
74 1HE2 GLN 9 2HE2 GLN 9 -12.388 8.294 -9.562
75 2HE2 GLN 9 1HE2 GLN 9 -13.938 9.293 -9.473
76 H GLY 10 H GLY 10 -10.709 2.467 -11.256
77 1HA GLY 10 1HA GLY 10 -8.154 2.434 -11.023
78 2HA GLY 10 2HA GLY 10 -8.291 3.739 -9.859
79 HA PRO 11 HA PRO 11 -9.719 -0.524 -7.616
80 1HB PRO 11 1HB PRO 11 -7.444 -2.067 -8.999
81 2HB PRO 11 2HB PRO 11 -8.941 -2.703 -8.290
82 1HG PRO 11 1HG PRO 11 -8.822 -2.338 -10.973
83 2HG PRO 11 2HG PRO 11 -10.283 -1.792 -10.116
84 1HD PRO 11 1HD PRO 11 -7.951 -0.077 -11.127
85 2HD PRO 11 2HD PRO 11 -9.716 0.269 -11.101
86 H ASN 12 H ASN 12 -9.005 0.646 -6.026
87 HA ASN 12 HA ASN 12 -6.353 1.371 -5.253
88 1HB ASN 12 1HB ASN 12 -8.637 2.308 -4.444
89 2HB ASN 12 2HB ASN 12 -8.760 0.953 -3.341
90 1HD2 ASN 12 2HD2 ASN 12 -6.879 3.883 -4.051
91 2HD2 ASN 12 1HD2 ASN 12 -6.306 4.027 -2.305
92 H GLU 13 H GLU 13 -7.889 -1.614 -4.126
93 HA GLU 13 HA GLU 13 -5.891 -2.043 -1.967
94 1HB GLU 13 1HB GLU 13 -7.941 -4.054 -3.143
95 2HB GLU 13 2HB GLU 13 -7.074 -4.250 -1.636
96 1HG GLU 13 1HG GLU 13 -9.283 -2.182 -2.202
97 2HG GLU 13 2HG GLU 13 -9.363 -3.577 -1.144
98 HE2 GLU 13 HE2 GLU 13 -7.812 -0.121 0.085
99 H SER 14 H SER 14 -6.082 -3.549 -5.168
100 HA SER 14 HA SER 14 -3.837 -5.469 -4.806
101 1HB SER 14 1HB SER 14 -5.494 -5.585 -6.698
102 2HB SER 14 2HB SER 14 -4.893 -4.083 -7.381
103 HG SER 14 HG SER 14 -2.783 -5.170 -7.487
104 HA PRO 15 HA PRO 15 -0.590 -2.069 -6.099
105 1HB PRO 15 1HB PRO 15 -1.296 0.627 -6.154
106 2HB PRO 15 2HB PRO 15 -1.382 -0.448 -7.559
107 1HG PRO 15 1HG PRO 15 -3.671 0.343 -5.685
108 2HG PRO 15 2HG PRO 15 -3.670 0.350 -7.460
109 1HD PRO 15 1HD PRO 15 -4.741 -1.727 -6.032
110 2HD PRO 15 2HD PRO 15 -3.904 -2.031 -7.580
111 H SER 16 H SER 16 -2.991 -0.697 -3.616
112 HA SER 16 HA SER 16 -0.838 0.270 -1.937
113 1HB SER 16 1HB SER 16 -2.675 0.548 -0.212
114 2HB SER 16 2HB SER 16 -3.092 1.231 -1.772
115 HG SER 16 HG SER 16 -4.532 -0.352 -2.138
116 H ALA 17 H ALA 17 -2.500 -2.932 -1.818
117 HA ALA 17 HA ALA 17 -0.860 -3.957 0.463
118 1HB ALA 17 1HB ALA 17 -3.026 -5.015 -0.303
119 2HB ALA 17 2HB ALA 17 -2.292 -5.433 -1.873
120 3HB ALA 17 3HB ALA 17 -1.695 -6.185 -0.374
121 H PHE 18 H PHE 18 -0.312 -4.097 -3.126
122 HA PHE 18 HA PHE 18 2.302 -5.502 -2.863
123 1HB PHE 18 1HB PHE 18 0.683 -5.317 -4.955
124 2HB PHE 18 2HB PHE 18 1.333 -3.723 -5.211
125 HD1 PHE 18 HD1 PHE 18 2.075 -7.378 -5.185
126 HD2 PHE 18 HD2 PHE 18 3.695 -3.497 -6.087
127 HE1 PHE 18 HE1 PHE 18 3.939 -8.431 -6.401
128 HE2 PHE 18 HE2 PHE 18 5.551 -4.566 -7.305
129 HZ PHE 18 HZ PHE 18 5.681 -7.026 -7.461
130 H LEU 19 H LEU 19 1.528 -2.027 -3.161
131 HA LEU 19 HA LEU 19 4.278 -0.963 -2.850
132 1HB LEU 19 1HB LEU 19 1.415 0.072 -2.416
133 2HB LEU 19 2HB LEU 19 2.635 0.899 -1.541
134 HG LEU 19 HG LEU 19 3.935 1.388 -3.631
135 1HD1 LEU 19 1HD1 LEU 19 3.097 -0.466 -5.147
136 2HD1 LEU 19 2HD1 LEU 19 1.479 0.270 -5.155
137 3HD1 LEU 19 3HD1 LEU 19 2.858 1.132 -5.875
138 1HD2 LEU 19 1HD2 LEU 19 2.299 3.037 -2.665
139 2HD2 LEU 19 2HD2 LEU 19 2.349 3.161 -4.432
140 3HD2 LEU 19 3HD2 LEU 19 0.986 2.333 -3.641
141 H GLU 20 H GLU 20 1.935 -1.937 -0.227
142 HA GLU 20 HA GLU 20 3.907 -1.439 1.859
143 1HB GLU 20 1HB GLU 20 1.166 -2.871 1.635
144 2HB GLU 20 2HB GLU 20 2.066 -3.072 3.094
145 1HG GLU 20 1HG GLU 20 0.236 -1.212 3.017
146 2HG GLU 20 2HG GLU 20 1.711 -0.978 3.909
147 HE2 GLU 20 HE2 GLU 20 0.413 -0.373 0.759
148 H ARG 21 H ARG 21 3.098 -4.522 0.149
149 HA ARG 21 HA ARG 21 5.086 -6.208 1.347
150 1HB ARG 21 1HB ARG 21 3.319 -6.837 -0.354
151 2HB ARG 21 2HB ARG 21 4.149 -5.890 -1.576
152 1HG ARG 21 1HG ARG 21 6.170 -7.482 -1.343
153 2HG ARG 21 2HG ARG 21 5.202 -8.470 -0.256
154 1HD ARG 21 1HD ARG 21 3.475 -8.832 -2.039
155 2HD ARG 21 2HD ARG 21 4.263 -7.724 -3.135
156 HE ARG 21 HE ARG 21 5.125 -10.539 -2.489
157 1HH1 ARG 21 1HH1 ARG 21 6.214 -7.544 -3.883
158 2HH1 ARG 21 2HH1 ARG 21 7.527 -8.383 -4.845
159 1HH2 ARG 21 1HH2 ARG 21 6.599 -11.460 -3.612
160 2HH2 ARG 21 2HH2 ARG 21 7.712 -10.499 -4.685
161 H LEU 22 H LEU 22 5.579 -3.766 -1.310
162 HA LEU 22 HA LEU 22 8.465 -4.068 -1.411
163 1HB LEU 22 1HB LEU 22 6.575 -1.790 -2.284
164 2HB LEU 22 2HB LEU 22 8.278 -1.798 -2.648
165 HG LEU 22 HG LEU 22 6.345 -3.966 -3.658
166 1HD1 LEU 22 1HD1 LEU 22 7.458 -1.457 -5.093
167 2HD1 LEU 22 2HD1 LEU 22 6.502 -2.748 -5.860
168 3HD1 LEU 22 3HD1 LEU 22 5.766 -1.731 -4.610
169 1HD2 LEU 22 1HD2 LEU 22 9.267 -3.320 -4.469
170 2HD2 LEU 22 2HD2 LEU 22 8.725 -4.776 -3.600
171 3HD2 LEU 22 3HD2 LEU 22 8.211 -4.509 -5.275
172 H LYS 23 H LYS 23 6.363 -1.837 0.505
173 HA LYS 23 HA LYS 23 8.559 0.006 1.272
174 1HB LYS 23 1HB LYS 23 6.032 0.462 1.137
175 2HB LYS 23 2HB LYS 23 5.796 -0.521 2.575
176 1HG LYS 23 1HG LYS 23 7.264 1.142 3.871
177 2HG LYS 23 2HG LYS 23 7.429 2.099 2.395
178 1HD LYS 23 1HD LYS 23 4.878 2.293 2.267
179 2HD LYS 23 2HD LYS 23 4.719 1.418 3.767
180 1HE LYS 23 1HE LYS 23 6.217 4.126 3.452
181 2HE LYS 23 2HE LYS 23 4.521 3.978 3.896
182 1HZ LYS 23 1HZ LYS 23 5.207 2.653 5.899
183 2HZ LYS 23 2HZ LYS 23 6.789 2.807 5.509
184 3HZ LYS 23 3HZ LYS 23 5.920 4.137 5.941
185 H GLU 24 H GLU 24 7.134 -2.778 2.996
186 HA GLU 24 HA GLU 24 8.821 -2.584 5.376
187 1HB GLU 24 1HB GLU 24 7.904 -4.773 5.942
188 2HB GLU 24 2HB GLU 24 6.629 -3.776 5.313
189 1HG GLU 24 1HG GLU 24 7.025 -5.070 3.001
190 2HG GLU 24 2HG GLU 24 8.018 -6.169 3.930
191 HE2 GLU 24 HE2 GLU 24 4.966 -4.855 3.477
192 H ALA 25 H ALA 25 9.324 -4.224 2.237
193 HA ALA 25 HA ALA 25 11.938 -5.339 2.927
194 1HB ALA 25 1HB ALA 25 10.360 -6.277 1.158
195 2HB ALA 25 2HB ALA 25 10.555 -4.791 0.192
196 3HB ALA 25 3HB ALA 25 11.931 -5.874 0.464
197 H TYR 26 H TYR 26 11.056 -2.348 0.941
198 HA TYR 26 HA TYR 26 13.675 -1.309 0.621
199 1HB TYR 26 1HB TYR 26 11.089 0.252 1.252
200 2HB TYR 26 2HB TYR 26 12.534 0.987 0.607
201 HD1 TYR 26 HD1 TYR 26 12.846 -1.612 -1.525
202 HD2 TYR 26 HD2 TYR 26 9.912 1.389 -0.572
203 HE1 TYR 26 HE1 TYR 26 11.969 -1.743 -3.802
204 HE2 TYR 26 HE2 TYR 26 9.043 1.243 -2.868
205 HH TYR 26 HH TYR 26 10.514 -0.904 -5.273
206 H ARG 27 H ARG 27 11.631 -0.839 3.491
207 HA ARG 27 HA ARG 27 13.516 0.439 5.350
208 1HB ARG 27 1HB ARG 27 11.066 0.010 5.721
209 2HB ARG 27 2HB ARG 27 11.313 -1.709 5.574
210 1HG ARG 27 1HG ARG 27 12.831 -1.457 7.787
211 2HG ARG 27 2HG ARG 27 12.102 0.127 7.905
212 1HD ARG 27 1HD ARG 27 10.826 -1.411 9.292
213 2HD ARG 27 2HD ARG 27 9.776 -0.967 7.930
214 HE ARG 27 HE ARG 27 11.095 -3.308 6.980
215 1HH1 ARG 27 1HH1 ARG 27 9.126 -2.685 9.782
216 2HH1 ARG 27 2HH1 ARG 27 8.608 -4.437 9.884
217 1HH2 ARG 27 1HH2 ARG 27 10.513 -5.234 7.121
218 2HH2 ARG 27 2HH2 ARG 27 9.385 -5.823 8.433
219 H ARG 28 H ARG 28 13.626 -3.005 4.133
220 HA ARG 28 HA ARG 28 15.679 -3.704 6.140
221 1HB ARG 28 1HB ARG 28 13.915 -5.384 5.542
222 2HB ARG 28 2HB ARG 28 14.349 -5.297 3.848
223 1HG ARG 28 1HG ARG 28 15.164 -7.357 4.862
224 2HG ARG 28 2HG ARG 28 16.511 -6.443 4.250
225 1HD ARG 28 1HD ARG 28 15.653 -6.418 7.227
226 2HD ARG 28 2HD ARG 28 16.772 -7.624 6.554
227 HE ARG 28 HE ARG 28 17.802 -5.023 5.751
228 1HH1 ARG 28 1HH1 ARG 28 17.370 -6.618 8.799
229 2HH1 ARG 28 2HH1 ARG 28 18.375 -5.353 9.663
230 1HH2 ARG 28 1HH2 ARG 28 18.860 -3.634 6.706
231 2HH2 ARG 28 2HH2 ARG 28 19.208 -3.738 8.495
232 H TYR 29 H TYR 29 15.434 -3.198 2.575
233 HA TYR 29 HA TYR 29 18.350 -3.450 2.056
234 1HB TYR 29 1HB TYR 29 16.378 -1.730 0.443
235 2HB TYR 29 2HB TYR 29 17.845 -2.467 -0.142
236 HD1 TYR 29 HD1 TYR 29 17.413 -5.387 0.916
237 HD2 TYR 29 HD2 TYR 29 14.769 -2.608 -1.021
238 HE1 TYR 29 HE1 TYR 29 15.908 -7.219 0.342
239 HE2 TYR 29 HE2 TYR 29 13.254 -4.453 -1.587
240 HH TYR 29 HH TYR 29 14.052 -7.820 -0.750
241 H THR 30 H THR 30 16.648 -0.915 3.522
242 HA THR 30 HA THR 30 18.772 1.216 3.273
243 HB THR 30 HB THR 30 16.520 0.992 5.353
244 HG1 THR 30 HG1 THR 30 15.667 1.100 3.217
245 1HG2 THR 30 1HG2 THR 30 18.301 2.708 5.927
246 2HG2 THR 30 2HG2 THR 30 18.081 3.466 4.323
247 3HG2 THR 30 3HG2 THR 30 16.761 3.491 5.512
248 HA PRO 31 HA PRO 31 21.050 -1.655 5.868
249 1HB PRO 31 1HB PRO 31 23.451 -0.285 6.290
250 2HB PRO 31 2HB PRO 31 22.902 -0.827 4.699
251 1HG PRO 31 1HG PRO 31 22.542 1.971 5.920
252 2HG PRO 31 2HG PRO 31 23.241 1.564 4.333
253 1HD PRO 31 1HD PRO 31 20.589 2.288 4.558
254 2HD PRO 31 2HD PRO 31 21.067 0.997 3.408
255 H TYR 32 H TYR 32 20.358 1.331 7.521
256 HA TYR 32 HA TYR 32 21.966 0.828 9.912
257 1HB TYR 32 1HB TYR 32 19.588 2.779 9.559
258 2HB TYR 32 2HB TYR 32 20.782 2.865 10.816
259 HD1 TYR 32 HD1 TYR 32 23.320 3.195 10.110
260 HD2 TYR 32 HD2 TYR 32 20.002 3.980 7.487
261 HE1 TYR 32 HE1 TYR 32 24.761 4.604 8.688
262 HE2 TYR 32 HE2 TYR 32 21.451 5.381 6.082
263 HH TYR 32 HH TYR 32 23.497 6.238 5.806
Start of MODEL 7
1 1H CYS 1 1H CYS 1 -10.924 0.555 -10.318
2 2H CYS 1 2H CYS 1 -9.777 0.898 -9.221
3 HA CYS 1 HA CYS 1 -12.656 0.420 -8.664
4 1HB CYS 1 1HB CYS 1 -11.321 -1.587 -9.294
5 2HB CYS 1 2HB CYS 1 -10.081 -1.206 -8.089
6 HG CYS 1 HG CYS 1 -11.555 -3.173 -7.225
7 H ALA 2 H ALA 2 -10.042 -0.019 -6.332
8 HA ALA 2 HA ALA 2 -10.504 2.716 -5.043
9 1HB ALA 2 1HB ALA 2 -12.251 1.217 -4.038
10 2HB ALA 2 2HB ALA 2 -11.001 0.044 -3.550
11 3HB ALA 2 3HB ALA 2 -11.035 1.669 -2.827
12 H LYS 3 H LYS 3 -6.873 2.112 -4.633
13 HA LYS 3 HA LYS 3 -8.621 2.687 -6.835
14 1HB LYS 3 1HB LYS 3 -9.183 4.606 -5.008
15 2HB LYS 3 2HB LYS 3 -7.621 5.254 -5.410
16 1HG LYS 3 1HG LYS 3 -9.288 6.470 -6.689
17 2HG LYS 3 2HG LYS 3 -8.380 5.518 -7.851
18 1HD LYS 3 1HD LYS 3 -10.223 3.747 -7.806
19 2HD LYS 3 2HD LYS 3 -11.109 4.701 -6.620
20 1HE LYS 3 1HE LYS 3 -11.370 6.566 -8.345
21 2HE LYS 3 2HE LYS 3 -10.431 5.618 -9.512
22 1HZ LYS 3 1HZ LYS 3 -12.125 3.769 -9.232
23 2HZ LYS 3 2HZ LYS 3 -13.008 4.684 -8.224
24 3HZ LYS 3 3HZ LYS 3 -12.862 5.131 -9.805
25 H VAL 4 H VAL 4 -7.469 3.067 -8.672
26 HA VAL 4 HA VAL 4 -4.428 2.887 -8.503
27 HB VAL 4 HB VAL 4 -5.379 0.828 -9.357
28 1HG1 VAL 4 1HG1 VAL 4 -7.551 1.517 -10.429
29 2HG1 VAL 4 2HG1 VAL 4 -6.657 2.299 -11.753
30 3HG1 VAL 4 3HG1 VAL 4 -6.551 0.544 -11.516
31 1HG2 VAL 4 1HG2 VAL 4 -3.177 1.610 -10.247
32 2HG2 VAL 4 2HG2 VAL 4 -4.042 0.602 -11.418
33 3HG2 VAL 4 3HG2 VAL 4 -3.997 2.368 -11.636
34 H LYS 5 H LYS 5 -4.357 4.966 -8.283
35 HA LYS 5 HA LYS 5 -4.539 6.666 -10.834
36 1HB LYS 5 1HB LYS 5 -5.295 8.610 -9.843
37 2HB LYS 5 2HB LYS 5 -6.378 7.407 -9.229
38 1HG LYS 5 1HG LYS 5 -4.142 8.854 -7.678
39 2HG LYS 5 2HG LYS 5 -5.828 9.206 -7.600
40 1HD LYS 5 1HD LYS 5 -6.353 7.562 -6.116
41 2HD LYS 5 2HD LYS 5 -5.372 6.337 -6.839
42 1HE LYS 5 1HE LYS 5 -4.269 8.607 -5.042
43 2HE LYS 5 2HE LYS 5 -4.664 6.984 -4.478
44 1HZ LYS 5 1HZ LYS 5 -2.706 7.427 -6.738
45 2HZ LYS 5 2HZ LYS 5 -2.199 7.275 -5.164
46 3HZ LYS 5 3HZ LYS 5 -2.943 6.036 -5.977
47 H GLY 6 H GLY 6 -2.535 5.762 -11.139
48 1HA GLY 6 1HA GLY 6 -0.568 5.779 -8.801
49 2HA GLY 6 2HA GLY 6 -0.865 4.481 -9.911
50 H ILE 7 H ILE 7 1.108 7.163 -9.271
51 HA ILE 7 HA ILE 7 2.877 6.448 -11.692
52 HB ILE 7 HB ILE 7 2.462 9.244 -10.448
53 1HG1 ILE 7 1HG1 ILE 7 1.854 8.323 -13.349
54 2HG1 ILE 7 2HG1 ILE 7 0.635 8.437 -12.102
55 1HG2 ILE 7 1HG2 ILE 7 4.890 8.859 -11.176
56 2HG2 ILE 7 2HG2 ILE 7 4.338 8.352 -12.790
57 3HG2 ILE 7 3HG2 ILE 7 4.116 10.027 -12.240
58 1HD1 ILE 7 1HD1 ILE 7 1.056 10.917 -11.821
59 2HD1 ILE 7 2HD1 ILE 7 2.206 10.852 -13.184
60 3HD1 ILE 7 3HD1 ILE 7 0.496 10.459 -13.446
61 H THR 8 H THR 8 4.143 5.012 -10.504
62 HA THR 8 HA THR 8 6.049 6.193 -8.425
63 HB THR 8 HB THR 8 4.142 3.835 -7.818
64 HG1 THR 8 HG1 THR 8 3.873 6.435 -7.557
65 1HG2 THR 8 1HG2 THR 8 6.304 5.134 -6.000
66 2HG2 THR 8 2HG2 THR 8 5.090 3.955 -5.467
67 3HG2 THR 8 3HG2 THR 8 6.350 3.463 -6.620
68 H GLN 9 H GLN 9 5.245 3.106 -10.217
69 HA GLN 9 HA GLN 9 7.962 2.740 -10.925
70 1HB GLN 9 1HB GLN 9 6.881 0.594 -8.969
71 2HB GLN 9 2HB GLN 9 8.228 0.334 -10.050
72 1HG GLN 9 1HG GLN 9 9.551 2.184 -8.889
73 2HG GLN 9 2HG GLN 9 8.214 2.431 -7.790
74 1HE2 GLN 9 2HE2 GLN 9 10.388 -0.188 -8.886
75 2HE2 GLN 9 1HE2 GLN 9 10.478 -0.949 -7.211
76 H GLY 10 H GLY 10 6.309 3.254 -12.559
77 1HA GLY 10 1HA GLY 10 4.433 2.870 -13.988
78 2HA GLY 10 2HA GLY 10 4.370 1.169 -13.510
79 HA PRO 11 HA PRO 11 0.854 3.179 -11.011
80 1HB PRO 11 1HB PRO 11 -0.501 0.986 -12.677
81 2HB PRO 11 2HB PRO 11 -1.188 2.512 -12.090
82 1HG PRO 11 1HG PRO 11 -0.386 2.303 -14.688
83 2HG PRO 11 2HG PRO 11 -0.003 3.786 -13.784
84 1HD PRO 11 1HD PRO 11 1.921 1.483 -14.452
85 2HD PRO 11 2HD PRO 11 2.211 3.245 -14.369
86 H ASN 12 H ASN 12 2.248 2.267 -9.462
87 HA ASN 12 HA ASN 12 2.294 -0.643 -8.877
88 1HB ASN 12 1HB ASN 12 4.161 1.215 -8.824
89 2HB ASN 12 2HB ASN 12 3.460 1.741 -7.289
90 1HD2 ASN 12 2HD2 ASN 12 5.587 1.351 -6.489
91 2HD2 ASN 12 1HD2 ASN 12 6.166 -0.374 -6.221
92 H GLU 13 H GLU 13 -0.372 0.608 -8.271
93 HA GLU 13 HA GLU 13 -0.949 -0.680 -5.634
94 1HB GLU 13 1HB GLU 13 -1.599 1.367 -4.381
95 2HB GLU 13 2HB GLU 13 0.091 1.346 -4.772
96 1HG GLU 13 1HG GLU 13 -0.499 3.601 -5.040
97 2HG GLU 13 2HG GLU 13 -0.371 3.013 -6.684
98 HE1 GLU 13 HE1 GLU 13 -4.220 3.312 -5.605
99 H SER 14 H SER 14 -3.023 -1.044 -5.335
100 HA SER 14 HA SER 14 -5.025 0.976 -6.364
101 1HB SER 14 1HB SER 14 -5.614 -0.899 -7.790
102 2HB SER 14 2HB SER 14 -5.663 -2.045 -6.474
103 HG SER 14 HG SER 14 -7.338 -0.543 -5.531
104 HA PRO 15 HA PRO 15 -5.981 0.204 -1.747
105 1HB PRO 15 1HB PRO 15 -5.842 -2.200 -0.476
106 2HB PRO 15 2HB PRO 15 -7.091 -1.919 -1.702
107 1HG PRO 15 1HG PRO 15 -4.326 -3.220 -2.154
108 2HG PRO 15 2HG PRO 15 -5.915 -3.980 -2.475
109 1HD PRO 15 1HD PRO 15 -4.500 -2.673 -4.449
110 2HD PRO 15 2HD PRO 15 -6.291 -2.549 -4.374
111 H SER 16 H SER 16 -3.150 0.041 -2.976
112 HA SER 16 HA SER 16 -0.825 0.234 -2.436
113 1HB SER 16 1HB SER 16 -0.026 0.765 -0.219
114 2HB SER 16 2HB SER 16 -1.476 1.720 -0.498
115 HG SER 16 HG SER 16 -2.614 -0.089 0.613
116 H ALA 17 H ALA 17 -0.965 -1.712 0.396
117 HA ALA 17 HA ALA 17 -0.444 -3.988 0.863
118 1HB ALA 17 1HB ALA 17 -2.872 -4.004 0.053
119 2HB ALA 17 2HB ALA 17 -2.323 -4.399 -1.592
120 3HB ALA 17 3HB ALA 17 -2.066 -5.551 -0.263
121 H PHE 18 H PHE 18 -0.190 -3.878 -2.698
122 HA PHE 18 HA PHE 18 2.282 -5.664 -2.767
123 1HB PHE 18 1HB PHE 18 0.615 -5.599 -4.706
124 2HB PHE 18 2HB PHE 18 0.949 -3.902 -4.946
125 HD1 PHE 18 HD1 PHE 18 2.509 -7.314 -4.989
126 HD2 PHE 18 HD2 PHE 18 2.970 -3.215 -6.206
127 HE1 PHE 18 HE1 PHE 18 4.422 -7.947 -6.416
128 HE2 PHE 18 HE2 PHE 18 4.868 -3.868 -7.638
129 HZ PHE 18 HZ PHE 18 5.602 -6.223 -7.737
130 H LEU 19 H LEU 19 1.507 -2.233 -3.225
131 HA LEU 19 HA LEU 19 4.185 -1.065 -3.059
132 1HB LEU 19 1HB LEU 19 1.806 0.034 -3.512
133 2HB LEU 19 2HB LEU 19 1.586 0.047 -1.798
134 HG LEU 19 HG LEU 19 3.689 1.510 -1.566
135 1HD1 LEU 19 1HD1 LEU 19 3.479 1.639 -4.656
136 2HD1 LEU 19 2HD1 LEU 19 4.491 2.703 -3.643
137 3HD1 LEU 19 3HD1 LEU 19 4.843 0.974 -3.730
138 1HD2 LEU 19 1HD2 LEU 19 1.363 2.477 -1.566
139 2HD2 LEU 19 2HD2 LEU 19 2.523 3.584 -2.329
140 3HD2 LEU 19 3HD2 LEU 19 1.415 2.631 -3.339
141 H GLU 20 H GLU 20 1.950 -1.737 -0.352
142 HA GLU 20 HA GLU 20 3.858 -1.198 1.731
143 1HB GLU 20 1HB GLU 20 1.307 -2.960 1.603
144 2HB GLU 20 2HB GLU 20 2.151 -2.852 3.092
145 1HG GLU 20 1HG GLU 20 1.891 -0.291 3.071
146 2HG GLU 20 2HG GLU 20 0.908 -0.438 1.618
147 HE2 GLU 20 HE2 GLU 20 -1.723 -2.034 3.373
148 H ARG 21 H ARG 21 3.269 -4.491 0.276
149 HA ARG 21 HA ARG 21 5.351 -5.861 1.703
150 1HB ARG 21 1HB ARG 21 4.344 -6.064 -1.212
151 2HB ARG 21 2HB ARG 21 5.571 -7.149 -0.603
152 1HG ARG 21 1HG ARG 21 4.119 -8.155 1.062
153 2HG ARG 21 2HG ARG 21 2.883 -6.925 0.866
154 1HD ARG 21 1HD ARG 21 2.473 -7.704 -1.543
155 2HD ARG 21 2HD ARG 21 3.730 -8.907 -1.352
156 HE ARG 21 HE ARG 21 2.250 -10.313 -0.095
157 1HH1 ARG 21 1HH1 ARG 21 0.837 -7.113 -0.173
158 2HH1 ARG 21 2HH1 ARG 21 -0.771 -7.759 0.414
159 1HH2 ARG 21 1HH2 ARG 21 0.412 -10.977 0.574
160 2HH2 ARG 21 2HH2 ARG 21 -0.979 -9.830 0.816
161 H LEU 22 H LEU 22 5.697 -3.749 -1.218
162 HA LEU 22 HA LEU 22 8.594 -3.902 -1.353
163 1HB LEU 22 1HB LEU 22 6.588 -1.791 -2.369
164 2HB LEU 22 2HB LEU 22 8.290 -1.734 -2.735
165 HG LEU 22 HG LEU 22 6.452 -4.057 -3.580
166 1HD1 LEU 22 1HD1 LEU 22 5.814 -1.932 -4.706
167 2HD1 LEU 22 2HD1 LEU 22 7.507 -1.652 -5.211
168 3HD1 LEU 22 3HD1 LEU 22 6.581 -3.026 -5.865
169 1HD2 LEU 22 1HD2 LEU 22 9.364 -3.383 -4.420
170 2HD2 LEU 22 2HD2 LEU 22 8.854 -4.789 -3.456
171 3HD2 LEU 22 3HD2 LEU 22 8.350 -4.653 -5.147
172 H LYS 23 H LYS 23 6.392 -1.638 0.456
173 HA LYS 23 HA LYS 23 8.649 0.084 1.461
174 1HB LYS 23 1HB LYS 23 5.778 -0.405 2.500
175 2HB LYS 23 2HB LYS 23 6.877 0.734 3.241
176 1HG LYS 23 1HG LYS 23 6.974 2.179 1.260
177 2HG LYS 23 2HG LYS 23 6.172 0.992 0.263
178 1HD LYS 23 1HD LYS 23 4.560 2.685 0.738
179 2HD LYS 23 2HD LYS 23 4.043 1.216 1.545
180 1HE LYS 23 1HE LYS 23 4.961 2.126 3.767
181 2HE LYS 23 2HE LYS 23 5.508 3.583 2.939
182 1HZ LYS 23 1HZ LYS 23 2.620 2.680 3.070
183 2HZ LYS 23 2HZ LYS 23 3.247 3.925 3.937
184 3HZ LYS 23 3HZ LYS 23 3.130 4.036 2.304
185 H GLU 24 H GLU 24 7.069 -2.866 2.806
186 HA GLU 24 HA GLU 24 8.646 -2.951 5.245
187 1HB GLU 24 1HB GLU 24 6.385 -4.289 4.314
188 2HB GLU 24 2HB GLU 24 7.557 -5.512 3.925
189 1HG GLU 24 1HG GLU 24 7.039 -4.227 6.705
190 2HG GLU 24 2HG GLU 24 6.348 -5.736 6.149
191 HE2 GLU 24 HE2 GLU 24 9.002 -6.443 8.428
192 H ALA 25 H ALA 25 9.183 -4.457 2.008
193 HA ALA 25 HA ALA 25 11.827 -5.522 2.569
194 1HB ALA 25 1HB ALA 25 10.360 -6.189 0.603
195 2HB ALA 25 2HB ALA 25 10.546 -4.559 -0.091
196 3HB ALA 25 3HB ALA 25 11.952 -5.637 0.045
197 H TYR 26 H TYR 26 11.003 -2.307 1.015
198 HA TYR 26 HA TYR 26 13.723 -1.434 0.959
199 1HB TYR 26 1HB TYR 26 11.156 0.281 1.064
200 2HB TYR 26 2HB TYR 26 12.716 0.864 0.532
201 HD1 TYR 26 HD1 TYR 26 12.885 -2.118 -1.222
202 HD2 TYR 26 HD2 TYR 26 10.442 1.424 -1.040
203 HE1 TYR 26 HE1 TYR 26 12.151 -2.490 -3.535
204 HE2 TYR 26 HE2 TYR 26 9.734 1.038 -3.362
205 HH TYR 26 HH TYR 26 9.886 -0.293 -5.180
206 H ARG 27 H ARG 27 11.412 -0.990 3.647
207 HA ARG 27 HA ARG 27 13.337 0.644 5.304
208 1HB ARG 27 1HB ARG 27 10.711 0.529 5.490
209 2HB ARG 27 2HB ARG 27 10.913 -1.086 6.128
210 1HG ARG 27 1HG ARG 27 10.677 0.095 8.080
211 2HG ARG 27 2HG ARG 27 12.414 0.052 8.016
212 1HD ARG 27 1HD ARG 27 10.559 2.398 7.202
213 2HD ARG 27 2HD ARG 27 11.451 2.316 8.693
214 HE ARG 27 HE ARG 27 12.496 3.205 6.053
215 1HH1 ARG 27 1HH1 ARG 27 13.552 1.806 9.041
216 2HH1 ARG 27 2HH1 ARG 27 15.251 2.483 8.867
217 1HH2 ARG 27 1HH2 ARG 27 14.434 3.862 5.801
218 2HH2 ARG 27 2HH2 ARG 27 15.745 3.368 6.961
219 H ARG 28 H ARG 28 15.025 -0.964 4.468
220 HA ARG 28 HA ARG 28 15.896 -2.783 6.589
221 1HB ARG 28 1HB ARG 28 15.402 -3.977 3.762
222 2HB ARG 28 2HB ARG 28 16.242 -4.793 5.064
223 1HG ARG 28 1HG ARG 28 14.028 -4.756 6.422
224 2HG ARG 28 2HG ARG 28 13.255 -4.107 4.978
225 1HD ARG 28 1HD ARG 28 14.141 -6.142 3.655
226 2HD ARG 28 2HD ARG 28 14.737 -6.808 5.191
227 HE ARG 28 HE ARG 28 11.818 -6.080 5.277
228 1HH1 ARG 28 1HH1 ARG 28 13.989 -8.579 4.186
229 2HH1 ARG 28 2HH1 ARG 28 12.655 -9.831 4.145
230 1HH2 ARG 28 1HH2 ARG 28 10.349 -7.548 5.309
231 2HH2 ARG 28 2HH2 ARG 28 10.696 -9.253 4.734
232 H TYR 29 H TYR 29 16.552 -1.946 3.082
233 HA TYR 29 HA TYR 29 19.451 -2.435 3.320
234 1HB TYR 29 1HB TYR 29 19.639 -1.355 1.118
235 2HB TYR 29 2HB TYR 29 18.382 -2.531 1.162
236 HD1 TYR 29 HD1 TYR 29 18.946 1.222 1.216
237 HD2 TYR 29 HD2 TYR 29 16.232 -1.976 0.250
238 HE1 TYR 29 HE1 TYR 29 17.471 2.811 0.067
239 HE2 TYR 29 HE2 TYR 29 14.802 -0.372 -0.954
240 HH TYR 29 HH TYR 29 15.585 3.070 -1.118
241 H THR 30 H THR 30 17.697 0.605 3.874
242 HA THR 30 HA THR 30 20.261 1.630 5.241
243 HB THR 30 HB THR 30 19.885 3.190 3.557
244 HG1 THR 30 HG1 THR 30 18.717 4.417 5.825
245 1HG2 THR 30 1HG2 THR 30 17.379 3.015 3.026
246 2HG2 THR 30 2HG2 THR 30 16.996 3.766 4.592
247 3HG2 THR 30 3HG2 THR 30 17.868 4.688 3.351
248 HA PRO 31 HA PRO 31 17.354 0.531 8.787
249 1HB PRO 31 1HB PRO 31 20.041 1.185 10.136
250 2HB PRO 31 2HB PRO 31 18.879 -0.091 10.547
251 1HG PRO 31 1HG PRO 31 21.105 -0.759 9.144
252 2HG PRO 31 2HG PRO 31 19.545 -1.436 8.620
253 1HD PRO 31 1HD PRO 31 21.048 0.950 7.393
254 2HD PRO 31 2HD PRO 31 20.230 -0.414 6.571
255 H TYR 32 H TYR 32 19.573 3.265 8.577
256 HA TYR 32 HA TYR 32 17.733 5.104 10.196
257 1HB TYR 32 1HB TYR 32 20.426 5.681 8.770
258 2HB TYR 32 2HB TYR 32 19.516 6.857 9.672
259 HD1 TYR 32 HD1 TYR 32 19.023 6.382 12.222
260 HD2 TYR 32 HD2 TYR 32 22.042 4.307 9.967
261 HE1 TYR 32 HE1 TYR 32 20.164 5.745 14.314
262 HE2 TYR 32 HE2 TYR 32 23.170 3.685 12.060
263 HH TYR 32 HH TYR 32 23.120 3.783 14.288
Start of MODEL 8
1 1H CYS 1 1H CYS 1 10.096 17.315 -6.390
2 2H CYS 1 2H CYS 1 9.293 18.114 -7.551
3 HA CYS 1 HA CYS 1 8.136 17.109 -5.003
4 1HB CYS 1 1HB CYS 1 9.700 19.031 -4.773
5 2HB CYS 1 2HB CYS 1 8.865 19.936 -6.042
6 HG CYS 1 HG CYS 1 7.750 18.898 -3.086
7 H ALA 2 H ALA 2 6.892 19.833 -6.923
8 HA ALA 2 HA ALA 2 4.282 18.313 -7.402
9 1HB ALA 2 1HB ALA 2 4.255 20.581 -6.328
10 2HB ALA 2 2HB ALA 2 5.038 21.294 -7.766
11 3HB ALA 2 3HB ALA 2 3.410 20.599 -7.888
12 H LYS 3 H LYS 3 5.185 16.888 -8.995
13 HA LYS 3 HA LYS 3 4.597 17.678 -11.652
14 1HB LYS 3 1HB LYS 3 6.983 18.704 -11.503
15 2HB LYS 3 2HB LYS 3 7.629 17.083 -11.349
16 1HG LYS 3 1HG LYS 3 6.675 16.530 -13.676
17 2HG LYS 3 2HG LYS 3 5.937 18.112 -13.736
18 1HD LYS 3 1HD LYS 3 7.909 18.260 -15.096
19 2HD LYS 3 2HD LYS 3 8.161 19.242 -13.681
20 1HE LYS 3 1HE LYS 3 10.254 18.118 -14.154
21 2HE LYS 3 2HE LYS 3 9.639 17.453 -12.650
22 1HZ LYS 3 1HZ LYS 3 9.304 16.130 -15.354
23 2HZ LYS 3 2HZ LYS 3 10.377 15.639 -14.207
24 3HZ LYS 3 3HZ LYS 3 8.761 15.505 -13.940
25 H VAL 4 H VAL 4 3.395 15.968 -11.842
26 HA VAL 4 HA VAL 4 2.566 13.730 -11.978
27 HB VAL 4 HB VAL 4 3.714 14.481 -14.109
28 1HG1 VAL 4 1HG1 VAL 4 6.181 14.247 -13.516
29 2HG1 VAL 4 2HG1 VAL 4 5.997 12.485 -13.535
30 3HG1 VAL 4 3HG1 VAL 4 5.722 13.424 -15.016
31 1HG2 VAL 4 1HG2 VAL 4 2.202 12.511 -14.076
32 2HG2 VAL 4 2HG2 VAL 4 3.486 12.324 -15.282
33 3HG2 VAL 4 3HG2 VAL 4 3.580 11.434 -13.746
34 H LYS 5 H LYS 5 2.888 13.327 -9.668
35 HA LYS 5 HA LYS 5 3.195 10.476 -9.711
36 1HB LYS 5 1HB LYS 5 4.655 10.007 -7.787
37 2HB LYS 5 2HB LYS 5 5.533 10.558 -9.175
38 1HG LYS 5 1HG LYS 5 4.931 12.423 -6.776
39 2HG LYS 5 2HG LYS 5 6.289 11.312 -6.800
40 1HD LYS 5 1HD LYS 5 7.155 12.377 -8.940
41 2HD LYS 5 2HD LYS 5 5.814 13.514 -8.890
42 1HE LYS 5 1HE LYS 5 6.594 14.401 -6.649
43 2HE LYS 5 2HE LYS 5 7.980 13.302 -6.683
44 1HZ LYS 5 1HZ LYS 5 7.409 15.185 -8.973
45 2HZ LYS 5 2HZ LYS 5 8.373 15.659 -7.718
46 3HZ LYS 5 3HZ LYS 5 8.814 14.401 -8.699
47 H GLY 6 H GLY 6 1.021 11.275 -9.526
48 1HA GLY 6 1HA GLY 6 -0.066 11.826 -6.757
49 2HA GLY 6 2HA GLY 6 0.149 13.247 -7.770
50 H ILE 7 H ILE 7 -1.648 10.258 -7.458
51 HA ILE 7 HA ILE 7 -3.592 10.876 -9.636
52 HB ILE 7 HB ILE 7 -3.988 8.978 -7.217
53 1HG1 ILE 7 1HG1 ILE 7 -2.013 8.173 -8.390
54 2HG1 ILE 7 2HG1 ILE 7 -3.344 7.104 -8.711
55 1HG2 ILE 7 1HG2 ILE 7 -5.437 9.089 -9.970
56 2HG2 ILE 7 2HG2 ILE 7 -5.653 7.818 -8.749
57 3HG2 ILE 7 3HG2 ILE 7 -6.157 9.474 -8.393
58 1HD1 ILE 7 1HD1 ILE 7 -2.208 9.197 -10.706
59 2HD1 ILE 7 2HD1 ILE 7 -1.954 7.441 -10.754
60 3HD1 ILE 7 3HD1 ILE 7 -3.572 8.103 -11.063
61 H THR 8 H THR 8 -5.205 12.276 -9.590
62 HA THR 8 HA THR 8 -5.359 14.273 -7.584
63 HB THR 8 HB THR 8 -7.349 13.748 -9.882
64 HG1 THR 8 HG1 THR 8 -5.810 15.432 -10.769
65 1HG2 THR 8 1HG2 THR 8 -8.095 15.660 -8.367
66 2HG2 THR 8 2HG2 THR 8 -6.505 16.437 -8.561
67 3HG2 THR 8 3HG2 THR 8 -7.599 16.257 -9.957
68 H GLN 9 H GLN 9 -6.068 13.819 -5.624
69 HA GLN 9 HA GLN 9 -7.548 13.515 -3.739
70 1HB GLN 9 1HB GLN 9 -8.378 15.626 -5.104
71 2HB GLN 9 2HB GLN 9 -9.635 14.589 -5.764
72 1HG GLN 9 1HG GLN 9 -10.456 14.180 -3.326
73 2HG GLN 9 2HG GLN 9 -9.196 15.260 -2.763
74 1HE2 GLN 9 2HE2 GLN 9 -12.237 15.125 -4.514
75 2HE2 GLN 9 1HE2 GLN 9 -12.521 16.944 -4.378
76 H GLY 10 H GLY 10 -8.692 10.907 -3.178
77 1HA GLY 10 1HA GLY 10 -6.504 10.965 -5.323
78 2HA GLY 10 2HA GLY 10 -6.188 11.363 -3.641
79 HA PRO 11 HA PRO 11 -6.329 6.528 -3.664
80 1HB PRO 11 1HB PRO 11 -7.190 5.077 -5.832
81 2HB PRO 11 2HB PRO 11 -8.315 5.858 -4.712
82 1HG PRO 11 1HG PRO 11 -7.345 6.933 -7.417
83 2HG PRO 11 2HG PRO 11 -9.026 6.766 -6.865
84 1HD PRO 11 1HD PRO 11 -7.668 9.179 -6.643
85 2HD PRO 11 2HD PRO 11 -8.852 8.665 -5.411
86 H ASN 12 H ASN 12 -4.193 7.784 -3.928
87 HA ASN 12 HA ASN 12 -2.390 6.735 -6.160
88 1HB ASN 12 1HB ASN 12 -2.461 9.178 -5.246
89 2HB ASN 12 2HB ASN 12 -1.734 8.598 -3.764
90 1HD2 ASN 12 2HD2 ASN 12 0.487 7.654 -4.039
91 2HD2 ASN 12 1HD2 ASN 12 1.497 8.365 -5.409
92 H GLU 13 H GLU 13 -3.086 4.637 -5.188
93 HA GLU 13 HA GLU 13 -2.815 2.588 -3.944
94 1HB GLU 13 1HB GLU 13 0.068 3.670 -4.001
95 2HB GLU 13 2HB GLU 13 -0.257 2.339 -2.947
96 1HG GLU 13 1HG GLU 13 -1.105 2.141 -5.904
97 2HG GLU 13 2HG GLU 13 0.551 1.873 -5.406
98 HE1 GLU 13 HE1 GLU 13 -2.020 -0.770 -3.830
99 H SER 14 H SER 14 -4.164 4.471 -2.700
100 HA SER 14 HA SER 14 -3.475 4.963 0.089
101 1HB SER 14 1HB SER 14 -5.280 6.137 -1.170
102 2HB SER 14 2HB SER 14 -6.262 4.669 -1.247
103 HG SER 14 HG SER 14 -6.779 6.110 0.515
104 HA PRO 15 HA PRO 15 -5.045 0.622 1.631
105 1HB PRO 15 1HB PRO 15 -5.795 -1.334 -0.188
106 2HB PRO 15 2HB PRO 15 -6.932 -0.163 0.497
107 1HG PRO 15 1HG PRO 15 -5.497 0.011 -2.212
108 2HG PRO 15 2HG PRO 15 -7.242 0.179 -1.902
109 1HD PRO 15 1HD PRO 15 -5.623 2.380 -2.144
110 2HD PRO 15 2HD PRO 15 -6.963 2.387 -0.960
111 H SER 16 H SER 16 -3.097 1.070 -1.191
112 HA SER 16 HA SER 16 -0.867 0.368 -1.807
113 1HB SER 16 1HB SER 16 -0.895 0.371 1.278
114 2HB SER 16 2HB SER 16 0.546 -0.118 0.417
115 HG SER 16 HG SER 16 -0.793 2.308 -0.286
116 H ALA 17 H ALA 17 -1.274 -2.059 0.733
117 HA ALA 17 HA ALA 17 -0.544 -4.330 0.799
118 1HB ALA 17 1HB ALA 17 -2.954 -4.295 -0.014
119 2HB ALA 17 2HB ALA 17 -2.410 -4.261 -1.707
120 3HB ALA 17 3HB ALA 17 -2.094 -5.690 -0.696
121 H PHE 18 H PHE 18 -0.365 -3.858 -2.749
122 HA PHE 18 HA PHE 18 2.177 -5.495 -2.983
123 1HB PHE 18 1HB PHE 18 0.472 -5.358 -4.860
124 2HB PHE 18 2HB PHE 18 0.688 -3.628 -4.969
125 HD1 PHE 18 HD1 PHE 18 2.502 -6.918 -5.385
126 HD2 PHE 18 HD2 PHE 18 2.490 -2.721 -6.329
127 HE1 PHE 18 HE1 PHE 18 4.354 -7.260 -6.978
128 HE2 PHE 18 HE2 PHE 18 4.336 -3.081 -7.917
129 HZ PHE 18 HZ PHE 18 5.276 -5.344 -8.238
130 H LEU 19 H LEU 19 1.367 -2.034 -3.089
131 HA LEU 19 HA LEU 19 4.104 -0.927 -2.953
132 1HB LEU 19 1HB LEU 19 1.635 0.182 -3.225
133 2HB LEU 19 2HB LEU 19 1.659 0.290 -1.520
134 HG LEU 19 HG LEU 19 2.208 2.385 -2.612
135 1HD1 LEU 19 1HD1 LEU 19 3.186 1.954 -0.334
136 2HD1 LEU 19 2HD1 LEU 19 4.716 1.449 -1.098
137 3HD1 LEU 19 3HD1 LEU 19 4.128 3.113 -1.295
138 1HD2 LEU 19 1HD2 LEU 19 3.355 1.506 -4.678
139 2HD2 LEU 19 2HD2 LEU 19 4.251 2.825 -3.898
140 3HD2 LEU 19 3HD2 LEU 19 4.808 1.150 -3.713
141 H GLU 20 H GLU 20 1.901 -1.938 -0.282
142 HA GLU 20 HA GLU 20 3.833 -1.363 1.798
143 1HB GLU 20 1HB GLU 20 1.134 -1.985 1.832
144 2HB GLU 20 2HB GLU 20 1.689 -3.600 2.078
145 1HG GLU 20 1HG GLU 20 2.165 -1.169 3.927
146 2HG GLU 20 2HG GLU 20 1.075 -2.511 4.212
147 HE2 GLU 20 HE2 GLU 20 3.729 -4.791 4.908
148 H ARG 21 H ARG 21 3.119 -4.533 0.264
149 HA ARG 21 HA ARG 21 5.189 -6.098 1.459
150 1HB ARG 21 1HB ARG 21 3.296 -6.762 -0.167
151 2HB ARG 21 2HB ARG 21 4.237 -6.157 -1.503
152 1HG ARG 21 1HG ARG 21 5.418 -8.349 0.350
153 2HG ARG 21 2HG ARG 21 4.102 -8.747 -0.710
154 1HD ARG 21 1HD ARG 21 5.982 -9.420 -1.927
155 2HD ARG 21 2HD ARG 21 5.446 -7.935 -2.738
156 HE ARG 21 HE ARG 21 7.370 -7.085 -0.753
157 1HH1 ARG 21 1HH1 ARG 21 7.451 -9.047 -3.626
158 2HH1 ARG 21 2HH1 ARG 21 9.195 -8.601 -3.962
159 1HH2 ARG 21 1HH2 ARG 21 9.293 -6.624 -1.134
160 2HH2 ARG 21 2HH2 ARG 21 10.189 -7.268 -2.591
161 H LEU 22 H LEU 22 5.575 -3.787 -1.293
162 HA LEU 22 HA LEU 22 8.471 -4.078 -1.483
163 1HB LEU 22 1HB LEU 22 6.537 -1.844 -2.359
164 2HB LEU 22 2HB LEU 22 8.229 -1.863 -2.781
165 HG LEU 22 HG LEU 22 6.282 -4.089 -3.638
166 1HD1 LEU 22 1HD1 LEU 22 7.241 -1.606 -5.217
167 2HD1 LEU 22 2HD1 LEU 22 6.294 -2.958 -5.883
168 3HD1 LEU 22 3HD1 LEU 22 5.584 -1.921 -4.638
169 1HD2 LEU 22 1HD2 LEU 22 9.137 -3.383 -4.637
170 2HD2 LEU 22 2HD2 LEU 22 8.697 -4.818 -3.682
171 3HD2 LEU 22 3HD2 LEU 22 8.078 -4.634 -5.332
172 H LYS 23 H LYS 23 6.358 -1.851 0.481
173 HA LYS 23 HA LYS 23 8.545 0.017 1.222
174 1HB LYS 23 1HB LYS 23 6.004 0.457 1.198
175 2HB LYS 23 2HB LYS 23 5.845 -0.637 2.561
176 1HG LYS 23 1HG LYS 23 7.484 1.017 3.848
177 2HG LYS 23 2HG LYS 23 7.299 2.081 2.471
178 1HD LYS 23 1HD LYS 23 5.739 2.847 4.099
179 2HD LYS 23 2HD LYS 23 4.758 2.092 2.850
180 1HE LYS 23 1HE LYS 23 4.528 -0.014 4.282
181 2HE LYS 23 2HE LYS 23 5.621 0.661 5.485
182 1HZ LYS 23 1HZ LYS 23 3.990 2.524 5.831
183 2HZ LYS 23 2HZ LYS 23 2.971 1.902 4.711
184 3HZ LYS 23 3HZ LYS 23 3.253 1.082 6.113
185 H GLU 24 H GLU 24 7.149 -2.822 2.951
186 HA GLU 24 HA GLU 24 8.843 -2.581 5.312
187 1HB GLU 24 1HB GLU 24 7.978 -4.803 5.895
188 2HB GLU 24 2HB GLU 24 6.694 -3.781 5.314
189 1HG GLU 24 1HG GLU 24 6.968 -5.039 2.987
190 2HG GLU 24 2HG GLU 24 7.999 -6.166 3.847
191 HE2 GLU 24 HE2 GLU 24 5.109 -7.942 4.176
192 H ALA 25 H ALA 25 9.357 -4.310 2.244
193 HA ALA 25 HA ALA 25 11.978 -5.414 2.883
194 1HB ALA 25 1HB ALA 25 10.606 -6.227 0.955
195 2HB ALA 25 2HB ALA 25 10.657 -4.617 0.184
196 3HB ALA 25 3HB ALA 25 12.138 -5.583 0.335
197 H TYR 26 H TYR 26 11.216 -2.388 0.934
198 HA TYR 26 HA TYR 26 13.847 -1.343 0.934
199 1HB TYR 26 1HB TYR 26 11.164 0.195 1.053
200 2HB TYR 26 2HB TYR 26 12.678 0.970 0.678
201 HD1 TYR 26 HD1 TYR 26 14.060 -0.737 -1.299
202 HD2 TYR 26 HD2 TYR 26 9.891 0.275 -0.948
203 HE1 TYR 26 HE1 TYR 26 13.769 -1.069 -3.709
204 HE2 TYR 26 HE2 TYR 26 9.628 -0.029 -3.377
205 HH TYR 26 HH TYR 26 12.354 -0.998 -5.425
206 H ARG 27 H ARG 27 11.432 -0.726 3.554
207 HA ARG 27 HA ARG 27 13.278 0.926 5.205
208 1HB ARG 27 1HB ARG 27 10.772 0.884 5.447
209 2HB ARG 27 2HB ARG 27 10.811 -0.799 5.934
210 1HG ARG 27 1HG ARG 27 10.410 0.625 7.845
211 2HG ARG 27 2HG ARG 27 11.906 -0.225 8.096
212 1HD ARG 27 1HD ARG 27 11.807 2.702 7.056
213 2HD ARG 27 2HD ARG 27 11.739 2.289 8.778
214 HE ARG 27 HE ARG 27 14.061 0.929 7.543
215 1HH1 ARG 27 1HH1 ARG 27 13.079 4.095 8.668
216 2HH1 ARG 27 2HH1 ARG 27 14.830 4.600 8.930
217 1HH2 ARG 27 1HH2 ARG 27 16.029 1.583 7.820
218 2HH2 ARG 27 2HH2 ARG 27 16.344 3.224 8.541
219 H ARG 28 H ARG 28 12.930 -2.724 5.014
220 HA ARG 28 HA ARG 28 14.666 -3.265 7.263
221 1HB ARG 28 1HB ARG 28 12.987 -4.835 6.095
222 2HB ARG 28 2HB ARG 28 14.063 -4.909 4.702
223 1HG ARG 28 1HG ARG 28 15.858 -5.956 6.176
224 2HG ARG 28 2HG ARG 28 14.794 -5.805 7.574
225 1HD ARG 28 1HD ARG 28 13.082 -7.315 6.408
226 2HD ARG 28 2HD ARG 28 14.155 -7.456 5.027
227 HE ARG 28 HE ARG 28 14.944 -8.318 7.895
228 1HH1 ARG 28 1HH1 ARG 28 15.043 -9.082 4.452
229 2HH1 ARG 28 2HH1 ARG 28 15.872 -10.665 4.813
230 1HH2 ARG 28 1HH2 ARG 28 15.912 -10.101 8.187
231 2HH2 ARG 28 2HH2 ARG 28 16.357 -11.182 6.793
232 H TYR 29 H TYR 29 15.334 -2.766 3.774
233 HA TYR 29 HA TYR 29 18.349 -3.055 4.261
234 1HB TYR 29 1HB TYR 29 16.911 -2.630 1.578
235 2HB TYR 29 2HB TYR 29 18.508 -3.279 1.833
236 HD1 TYR 29 HD1 TYR 29 18.225 -5.478 3.781
237 HD2 TYR 29 HD2 TYR 29 15.448 -4.261 0.732
238 HE1 TYR 29 HE1 TYR 29 16.999 -7.574 4.050
239 HE2 TYR 29 HE2 TYR 29 14.244 -6.363 0.991
240 HH TYR 29 HH TYR 29 14.246 -8.384 1.941
241 H THR 30 H THR 30 16.594 -0.465 4.788
242 HA THR 30 HA THR 30 18.456 1.544 3.398
243 HB THR 30 HB THR 30 15.855 2.114 4.909
244 HG1 THR 30 HG1 THR 30 15.423 1.145 2.923
245 1HG2 THR 30 1HG2 THR 30 17.560 4.003 3.141
246 2HG2 THR 30 2HG2 THR 30 15.985 4.394 3.862
247 3HG2 THR 30 3HG2 THR 30 17.389 4.131 4.915
248 HA PRO 31 HA PRO 31 20.329 1.377 7.616
249 1HB PRO 31 1HB PRO 31 22.413 3.190 7.303
250 2HB PRO 31 2HB PRO 31 22.357 1.635 6.460
251 1HG PRO 31 1HG PRO 31 21.508 4.371 5.355
252 2HG PRO 31 2HG PRO 31 22.602 3.188 4.599
253 1HD PRO 31 1HD PRO 31 19.901 3.329 3.943
254 2HD PRO 31 2HD PRO 31 20.756 1.755 3.949
255 H TYR 32 H TYR 32 19.087 4.461 6.493
256 HA TYR 32 HA TYR 32 19.493 5.980 8.977
257 1HB TYR 32 1HB TYR 32 17.428 6.444 6.711
258 2HB TYR 32 2HB TYR 32 17.826 7.603 7.941
259 HD1 TYR 32 HD1 TYR 32 20.293 8.477 8.116
260 HD2 TYR 32 HD2 TYR 32 18.786 6.372 4.678
261 HE1 TYR 32 HE1 TYR 32 22.148 9.357 6.748
262 HE2 TYR 32 HE2 TYR 32 20.637 7.262 3.331
263 HH TYR 32 HH TYR 32 22.448 8.553 3.305
Start of MODEL 9
1 1H CYS 1 1H CYS 1 -12.825 -16.764 -5.711
2 2H CYS 1 2H CYS 1 -12.387 -17.490 -4.322
3 HA CYS 1 HA CYS 1 -14.139 -15.872 -3.966
4 1HB CYS 1 1HB CYS 1 -11.402 -15.308 -2.615
5 2HB CYS 1 2HB CYS 1 -12.954 -14.708 -2.029
6 HG CYS 1 HG CYS 1 -11.812 -17.792 -2.260
7 H ALA 2 H ALA 2 -14.952 -14.183 -5.124
8 HA ALA 2 HA ALA 2 -13.169 -12.021 -6.341
9 1HB ALA 2 1HB ALA 2 -14.988 -13.169 -7.677
10 2HB ALA 2 2HB ALA 2 -16.221 -12.575 -6.526
11 3HB ALA 2 3HB ALA 2 -15.294 -11.432 -7.518
12 H LYS 3 H LYS 3 -13.140 -11.869 -3.546
13 HA LYS 3 HA LYS 3 -13.647 -9.134 -3.133
14 1HB LYS 3 1HB LYS 3 -16.128 -10.366 -2.735
15 2HB LYS 3 2HB LYS 3 -15.500 -10.578 -1.136
16 1HG LYS 3 1HG LYS 3 -16.779 -8.578 -1.080
17 2HG LYS 3 2HG LYS 3 -15.116 -8.002 -1.028
18 1HD LYS 3 1HD LYS 3 -15.158 -7.371 -3.413
19 2HD LYS 3 2HD LYS 3 -16.659 -8.244 -3.704
20 1HE LYS 3 1HE LYS 3 -17.942 -6.630 -2.236
21 2HE LYS 3 2HE LYS 3 -16.449 -5.759 -1.851
22 1HZ LYS 3 1HZ LYS 3 -17.356 -6.123 -4.717
23 2HZ LYS 3 2HZ LYS 3 -17.734 -4.770 -3.860
24 3HZ LYS 3 3HZ LYS 3 -16.175 -5.116 -4.166
25 H VAL 4 H VAL 4 -13.524 -12.095 -1.163
26 HA VAL 4 HA VAL 4 -11.578 -10.727 0.804
27 HB VAL 4 HB VAL 4 -13.143 -13.359 1.166
28 1HG1 VAL 4 1HG1 VAL 4 -11.049 -13.312 2.576
29 2HG1 VAL 4 2HG1 VAL 4 -11.507 -11.729 3.243
30 3HG1 VAL 4 3HG1 VAL 4 -12.482 -13.177 3.592
31 1HG2 VAL 4 1HG2 VAL 4 -13.727 -10.583 2.437
32 2HG2 VAL 4 2HG2 VAL 4 -14.762 -11.429 1.266
33 3HG2 VAL 4 3HG2 VAL 4 -14.535 -12.108 2.881
34 H LYS 5 H LYS 5 -10.157 -10.840 -1.122
35 HA LYS 5 HA LYS 5 -8.049 -12.332 -0.005
36 1HB LYS 5 1HB LYS 5 -7.082 -13.611 -1.840
37 2HB LYS 5 2HB LYS 5 -8.627 -14.283 -1.388
38 1HG LYS 5 1HG LYS 5 -9.708 -13.335 -3.441
39 2HG LYS 5 2HG LYS 5 -8.220 -12.504 -3.887
40 1HD LYS 5 1HD LYS 5 -7.003 -14.747 -3.959
41 2HD LYS 5 2HD LYS 5 -8.502 -15.588 -3.637
42 1HE LYS 5 1HE LYS 5 -8.038 -13.727 -6.092
43 2HE LYS 5 2HE LYS 5 -7.676 -15.450 -6.107
44 1HZ LYS 5 1HZ LYS 5 -10.086 -15.907 -5.556
45 2HZ LYS 5 2HZ LYS 5 -10.439 -14.331 -5.541
46 3HZ LYS 5 3HZ LYS 5 -9.985 -15.048 -6.956
47 H GLY 6 H GLY 6 -8.679 -9.773 -0.174
48 1HA GLY 6 1HA GLY 6 -7.979 -7.634 -0.753
49 2HA GLY 6 2HA GLY 6 -6.637 -8.324 -1.688
50 H ILE 7 H ILE 7 -10.215 -8.312 -2.100
51 HA ILE 7 HA ILE 7 -9.937 -6.687 -4.691
52 HB ILE 7 HB ILE 7 -11.591 -9.254 -4.242
53 1HG1 ILE 7 1HG1 ILE 7 -9.578 -8.607 -6.509
54 2HG1 ILE 7 2HG1 ILE 7 -9.087 -9.393 -5.031
55 1HG2 ILE 7 1HG2 ILE 7 -13.027 -7.561 -5.487
56 2HG2 ILE 7 2HG2 ILE 7 -11.720 -7.298 -6.667
57 3HG2 ILE 7 3HG2 ILE 7 -12.555 -8.866 -6.566
58 1HD1 ILE 7 1HD1 ILE 7 -10.692 -11.309 -5.443
59 2HD1 ILE 7 2HD1 ILE 7 -11.101 -10.591 -7.024
60 3HD1 ILE 7 3HD1 ILE 7 -9.440 -11.128 -6.696
61 H THR 8 H THR 8 -11.029 -4.836 -4.363
62 HA THR 8 HA THR 8 -13.310 -4.705 -2.278
63 HB THR 8 HB THR 8 -12.798 -2.268 -1.996
64 HG1 THR 8 HG1 THR 8 -10.275 -2.111 -2.534
65 1HG2 THR 8 1HG2 THR 8 -11.976 -3.922 -0.275
66 2HG2 THR 8 2HG2 THR 8 -10.464 -4.141 -1.184
67 3HG2 THR 8 3HG2 THR 8 -10.841 -2.565 -0.443
68 H GLN 9 H GLN 9 -12.284 -2.540 -5.025
69 HA GLN 9 HA GLN 9 -14.626 -3.210 -6.590
70 1HB GLN 9 1HB GLN 9 -15.515 -1.610 -4.583
71 2HB GLN 9 2HB GLN 9 -14.690 -0.337 -5.446
72 1HG GLN 9 1HG GLN 9 -17.019 -0.272 -6.086
73 2HG GLN 9 2HG GLN 9 -16.147 -0.847 -7.494
74 1HE2 GLN 9 2HE2 GLN 9 -18.211 -1.636 -8.201
75 2HE2 GLN 9 1HE2 GLN 9 -18.907 -3.182 -7.484
76 H GLY 10 H GLY 10 -13.198 -2.410 -9.062
77 1HA GLY 10 1HA GLY 10 -13.064 -4.565 -7.229
78 2HA GLY 10 2HA GLY 10 -12.562 -4.665 -8.878
79 HA PRO 11 HA PRO 11 -8.572 -5.858 -7.574
80 1HB PRO 11 1HB PRO 11 -6.746 -4.856 -9.368
81 2HB PRO 11 2HB PRO 11 -8.097 -5.896 -9.856
82 1HG PRO 11 1HG PRO 11 -7.964 -2.831 -9.975
83 2HG PRO 11 2HG PRO 11 -8.426 -3.947 -11.288
84 1HD PRO 11 1HD PRO 11 -10.305 -2.684 -9.656
85 2HD PRO 11 2HD PRO 11 -10.600 -4.323 -10.326
86 H ASN 12 H ASN 12 -8.606 -4.953 -5.508
87 HA ASN 12 HA ASN 12 -7.369 -2.408 -4.787
88 1HB ASN 12 1HB ASN 12 -9.115 -3.909 -3.506
89 2HB ASN 12 2HB ASN 12 -7.780 -4.854 -2.913
90 1HD2 ASN 12 2HD2 ASN 12 -6.261 -3.677 -1.435
91 2HD2 ASN 12 1HD2 ASN 12 -6.942 -2.211 -0.554
92 H GLU 13 H GLU 13 -5.955 -5.663 -4.507
93 HA GLU 13 HA GLU 13 -3.533 -4.601 -3.123
94 1HB GLU 13 1HB GLU 13 -3.025 -6.879 -2.710
95 2HB GLU 13 2HB GLU 13 -4.758 -6.803 -2.659
96 1HG GLU 13 1HG GLU 13 -4.696 -7.701 -5.168
97 2HG GLU 13 2HG GLU 13 -2.984 -8.005 -4.907
98 HE2 GLU 13 HE2 GLU 13 -5.838 -10.351 -3.472
99 H SER 14 H SER 14 -3.946 -4.337 -6.304
100 HA SER 14 HA SER 14 -0.968 -4.658 -7.002
101 1HB SER 14 1HB SER 14 -2.587 -5.382 -8.735
102 2HB SER 14 2HB SER 14 -3.364 -3.809 -8.777
103 HG SER 14 HG SER 14 -1.237 -2.943 -9.355
104 HA PRO 15 HA PRO 15 -1.089 0.181 -6.864
105 1HB PRO 15 1HB PRO 15 -3.359 1.604 -6.108
106 2HB PRO 15 2HB PRO 15 -3.036 1.094 -7.771
107 1HG PRO 15 1HG PRO 15 -4.800 -0.338 -5.703
108 2HG PRO 15 2HG PRO 15 -5.235 0.108 -7.367
109 1HD PRO 15 1HD PRO 15 -4.387 -2.412 -6.767
110 2HD PRO 15 2HD PRO 15 -3.883 -1.647 -8.301
111 H SER 16 H SER 16 -3.016 -1.318 -4.258
112 HA SER 16 HA SER 16 -1.190 -0.105 -2.239
113 1HB SER 16 1HB SER 16 -3.601 0.696 -1.957
114 2HB SER 16 2HB SER 16 -4.129 -0.987 -1.798
115 HG SER 16 HG SER 16 -3.657 0.258 0.193
116 H ALA 17 H ALA 17 -1.253 -1.672 -0.261
117 HA ALA 17 HA ALA 17 -0.372 -3.696 0.699
118 1HB ALA 17 1HB ALA 17 -2.795 -4.283 0.176
119 2HB ALA 17 2HB ALA 17 -2.274 -5.024 -1.353
120 3HB ALA 17 3HB ALA 17 -1.737 -5.705 0.196
121 H PHE 18 H PHE 18 -0.228 -4.166 -2.849
122 HA PHE 18 HA PHE 18 2.428 -5.637 -2.821
123 1HB PHE 18 1HB PHE 18 0.918 -5.788 -4.792
124 2HB PHE 18 2HB PHE 18 0.860 -4.054 -4.962
125 HD1 PHE 18 HD1 PHE 18 3.395 -6.889 -4.887
126 HD2 PHE 18 HD2 PHE 18 2.348 -3.063 -6.551
127 HE1 PHE 18 HE1 PHE 18 5.330 -7.014 -6.410
128 HE2 PHE 18 HE2 PHE 18 4.277 -3.208 -8.075
129 HZ PHE 18 HZ PHE 18 5.771 -5.178 -8.005
130 H LEU 19 H LEU 19 1.412 -2.254 -3.210
131 HA LEU 19 HA LEU 19 4.005 -0.917 -3.025
132 1HB LEU 19 1HB LEU 19 1.709 0.099 -3.565
133 2HB LEU 19 2HB LEU 19 1.234 -0.115 -1.891
134 HG LEU 19 HG LEU 19 3.063 1.519 -1.194
135 1HD1 LEU 19 1HD1 LEU 19 3.382 1.923 -4.255
136 2HD1 LEU 19 2HD1 LEU 19 4.071 2.992 -3.012
137 3HD1 LEU 19 3HD1 LEU 19 4.634 1.316 -3.145
138 1HD2 LEU 19 1HD2 LEU 19 0.690 2.238 -1.515
139 2HD2 LEU 19 2HD2 LEU 19 1.799 3.534 -2.007
140 3HD2 LEU 19 3HD2 LEU 19 0.987 2.544 -3.243
141 H GLU 20 H GLU 20 1.883 -1.754 -0.163
142 HA GLU 20 HA GLU 20 3.965 -1.180 1.726
143 1HB GLU 20 1HB GLU 20 1.333 -2.805 1.899
144 2HB GLU 20 2HB GLU 20 2.399 -2.728 3.266
145 1HG GLU 20 1HG GLU 20 0.752 -1.027 3.651
146 2HG GLU 20 2HG GLU 20 2.280 -0.232 3.372
147 HE2 GLU 20 HE2 GLU 20 -0.679 -1.067 2.047
148 H ARG 21 H ARG 21 3.225 -4.441 0.299
149 HA ARG 21 HA ARG 21 5.302 -5.888 1.656
150 1HB ARG 21 1HB ARG 21 4.073 -6.067 -1.177
151 2HB ARG 21 2HB ARG 21 5.356 -7.154 -0.714
152 1HG ARG 21 1HG ARG 21 4.111 -8.108 1.140
153 2HG ARG 21 2HG ARG 21 2.808 -6.952 1.019
154 1HD ARG 21 1HD ARG 21 3.488 -8.920 -1.279
155 2HD ARG 21 2HD ARG 21 2.454 -9.353 0.090
156 HE ARG 21 HE ARG 21 1.503 -6.822 -1.111
157 1HH1 ARG 21 1HH1 ARG 21 1.324 -10.282 -1.472
158 2HH1 ARG 21 2HH1 ARG 21 -0.244 -10.190 -2.411
159 1HH2 ARG 21 1HH2 ARG 21 -0.179 -6.753 -2.362
160 2HH2 ARG 21 2HH2 ARG 21 -1.044 -8.278 -2.871
161 H LEU 22 H LEU 22 5.674 -3.815 -1.315
162 HA LEU 22 HA LEU 22 8.570 -3.960 -1.399
163 1HB LEU 22 1HB LEU 22 6.595 -1.799 -2.371
164 2HB LEU 22 2HB LEU 22 8.296 -1.784 -2.771
165 HG LEU 22 HG LEU 22 6.386 -4.055 -3.599
166 1HD1 LEU 22 1HD1 LEU 22 7.408 -1.629 -5.228
167 2HD1 LEU 22 2HD1 LEU 22 6.465 -2.992 -5.874
168 3HD1 LEU 22 3HD1 LEU 22 5.735 -1.908 -4.678
169 1HD2 LEU 22 1HD2 LEU 22 9.275 -3.405 -4.541
170 2HD2 LEU 22 2HD2 LEU 22 8.797 -4.803 -3.546
171 3HD2 LEU 22 3HD2 LEU 22 8.223 -4.674 -5.214
172 H LYS 23 H LYS 23 6.373 -1.812 0.443
173 HA LYS 23 HA LYS 23 8.507 0.078 1.352
174 1HB LYS 23 1HB LYS 23 5.877 0.377 1.184
175 2HB LYS 23 2HB LYS 23 5.796 -0.486 2.719
176 1HG LYS 23 1HG LYS 23 7.270 1.342 3.742
177 2HG LYS 23 2HG LYS 23 7.297 2.173 2.202
178 1HD LYS 23 1HD LYS 23 4.834 1.598 3.976
179 2HD LYS 23 2HD LYS 23 5.602 3.148 3.784
180 1HE LYS 23 1HE LYS 23 4.002 1.634 1.587
181 2HE LYS 23 2HE LYS 23 3.397 2.952 2.561
182 1HZ LYS 23 1HZ LYS 23 5.148 4.434 1.571
183 2HZ LYS 23 2HZ LYS 23 5.737 3.199 0.671
184 3HZ LYS 23 3HZ LYS 23 4.228 3.781 0.369
185 H GLU 24 H GLU 24 7.049 -2.854 2.883
186 HA GLU 24 HA GLU 24 8.715 -2.862 5.270
187 1HB GLU 24 1HB GLU 24 7.088 -4.958 3.697
188 2HB GLU 24 2HB GLU 24 8.178 -5.527 4.926
189 1HG GLU 24 1HG GLU 24 5.957 -3.468 5.520
190 2HG GLU 24 2HG GLU 24 5.768 -5.200 5.693
191 HE2 GLU 24 HE2 GLU 24 7.039 -3.305 8.739
192 H ALA 25 H ALA 25 9.169 -4.442 2.048
193 HA ALA 25 HA ALA 25 11.763 -5.555 2.527
194 1HB ALA 25 1HB ALA 25 10.307 -6.073 0.529
195 2HB ALA 25 2HB ALA 25 10.570 -4.433 -0.112
196 3HB ALA 25 3HB ALA 25 11.925 -5.574 0.001
197 H TYR 26 H TYR 26 11.223 -2.304 0.889
198 HA TYR 26 HA TYR 26 13.960 -1.470 1.149
199 1HB TYR 26 1HB TYR 26 11.264 -0.038 0.682
200 2HB TYR 26 2HB TYR 26 12.614 0.961 1.083
201 HD1 TYR 26 HD1 TYR 26 14.566 1.242 -0.376
202 HD2 TYR 26 HD2 TYR 26 11.322 -1.324 -1.554
203 HE1 TYR 26 HE1 TYR 26 15.418 1.215 -2.681
204 HE2 TYR 26 HE2 TYR 26 12.194 -1.350 -3.859
205 HH TYR 26 HH TYR 26 15.085 0.491 -4.768
206 H ARG 27 H ARG 27 11.349 -1.016 3.588
207 HA ARG 27 HA ARG 27 13.012 0.635 5.434
208 1HB ARG 27 1HB ARG 27 10.464 0.475 5.368
209 2HB ARG 27 2HB ARG 27 10.548 -1.194 5.921
210 1HG ARG 27 1HG ARG 27 11.616 -0.391 8.089
211 2HG ARG 27 2HG ARG 27 11.523 1.277 7.507
212 1HD ARG 27 1HD ARG 27 8.996 1.105 7.359
213 2HD ARG 27 2HD ARG 27 9.077 -0.600 7.881
214 HE ARG 27 HE ARG 27 10.549 1.032 9.813
215 1HH1 ARG 27 1HH1 ARG 27 7.246 0.478 8.856
216 2HH1 ARG 27 2HH1 ARG 27 6.604 0.926 10.511
217 1HH2 ARG 27 1HH2 ARG 27 9.779 1.532 11.693
218 2HH2 ARG 27 2HH2 ARG 27 7.991 1.481 12.028
219 H ARG 28 H ARG 28 12.499 -3.021 5.402
220 HA ARG 28 HA ARG 28 14.429 -3.461 7.533
221 1HB ARG 28 1HB ARG 28 13.461 -5.267 5.235
222 2HB ARG 28 2HB ARG 28 14.381 -5.832 6.619
223 1HG ARG 28 1HG ARG 28 12.486 -5.364 8.178
224 2HG ARG 28 2HG ARG 28 11.562 -4.615 6.882
225 1HD ARG 28 1HD ARG 28 11.822 -6.895 5.572
226 2HD ARG 28 2HD ARG 28 12.410 -7.573 7.099
227 HE ARG 28 HE ARG 28 9.799 -6.155 7.467
228 1HH1 ARG 28 1HH1 ARG 28 11.107 -9.134 6.230
229 2HH1 ARG 28 2HH1 ARG 28 9.496 -9.990 6.395
230 1HH2 ARG 28 1HH2 ARG 28 8.019 -7.107 7.588
231 2HH2 ARG 28 2HH2 ARG 28 7.817 -8.875 7.151
232 H TYR 29 H TYR 29 14.683 -3.408 3.953
233 HA TYR 29 HA TYR 29 17.734 -3.793 4.116
234 1HB TYR 29 1HB TYR 29 16.029 -4.805 1.786
235 2HB TYR 29 2HB TYR 29 17.616 -5.312 2.266
236 HD1 TYR 29 HD1 TYR 29 17.580 -6.479 4.848
237 HD2 TYR 29 HD2 TYR 29 14.253 -6.274 2.134
238 HE1 TYR 29 HE1 TYR 29 16.409 -8.206 6.136
239 HE2 TYR 29 HE2 TYR 29 13.087 -7.993 3.430
240 HH TYR 29 HH TYR 29 14.641 -9.598 6.186
241 H THR 30 H THR 30 17.516 -1.332 4.165
242 HA THR 30 HA THR 30 16.600 0.035 1.723
243 HB THR 30 HB THR 30 18.188 1.417 3.915
244 HG1 THR 30 HG1 THR 30 15.504 0.458 3.987
245 1HG2 THR 30 1HG2 THR 30 17.356 2.825 1.977
246 2HG2 THR 30 2HG2 THR 30 15.690 2.271 2.282
247 3HG2 THR 30 3HG2 THR 30 16.537 3.267 3.486
248 HA PRO 31 HA PRO 31 20.772 -0.904 0.254
249 1HB PRO 31 1HB PRO 31 20.374 -0.863 -2.474
250 2HB PRO 31 2HB PRO 31 19.445 -1.937 -1.417
251 1HG PRO 31 1HG PRO 31 18.577 0.828 -2.467
252 2HG PRO 31 2HG PRO 31 17.684 -0.711 -2.613
253 1HD PRO 31 1HD PRO 31 17.189 1.085 -0.522
254 2HD PRO 31 2HD PRO 31 17.060 -0.687 -0.298
255 H TYR 32 H TYR 32 21.185 1.402 1.315
256 HA TYR 32 HA TYR 32 22.859 3.077 -0.680
257 1HB TYR 32 1HB TYR 32 20.888 4.172 1.443
258 2HB TYR 32 2HB TYR 32 21.998 5.152 0.529
259 HD1 TYR 32 HD1 TYR 32 21.743 5.300 -2.062
260 HD2 TYR 32 HD2 TYR 32 18.757 3.513 0.448
261 HE1 TYR 32 HE1 TYR 32 20.092 5.505 -3.873
262 HE2 TYR 32 HE2 TYR 32 17.100 3.737 -1.371
263 HH TYR 32 HH TYR 32 17.987 5.141 -4.503