Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25870 | 2kcr RC | 16094 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 1HT PRO 1 14.954 -3.372 -1.134
2 H3 PRO 1 2HT PRO 1 15.049 -2.062 -2.102
3 HA PRO 1 HA PRO 1 12.941 -1.999 -1.792
4 HB2 PRO 1 2HB PRO 1 12.036 -3.900 -3.640
5 HB3 PRO 1 1HB PRO 1 12.474 -2.222 -3.989
6 HG2 PRO 1 2HG PRO 1 13.848 -4.509 -4.860
7 HG3 PRO 1 1HG PRO 1 14.436 -2.840 -4.923
8 HD2 PRO 1 2HD PRO 1 15.005 -4.979 -2.903
9 HD3 PRO 1 1HD PRO 1 16.083 -3.728 -3.552
10 H ALA 2 H ALA 2 13.891 -3.601 0.229
11 HA ALA 2 HA ALA 2 11.757 -5.206 1.045
12 HB1 ALA 2 1HB ALA 2 12.667 -7.455 0.814
13 HB2 ALA 2 2HB ALA 2 14.063 -6.815 -0.055
14 HB3 ALA 2 3HB ALA 2 12.454 -6.705 -0.769
15 H GLN 3 H GLN 3 13.384 -3.264 2.178
16 HA GLN 3 HA GLN 3 15.433 -4.167 3.816
17 HB2 GLN 3 2HB GLN 3 15.198 -2.126 4.940
18 HB3 GLN 3 1HB GLN 3 14.602 -1.803 3.332
19 HG2 GLN 3 2HG GLN 3 12.321 -1.937 4.087
20 HG3 GLN 3 1HG GLN 3 12.862 -2.364 5.709
21 HE21 GLN 3 1HE2 GLN 3 15.126 -0.468 5.540
22 HE22 GLN 3 2HE2 GLN 3 14.421 1.102 5.766
23 H ASP 4 H ASP 4 12.006 -4.149 4.229
24 HA ASP 4 HA ASP 4 12.105 -6.281 6.172
25 HB2 ASP 4 2HB ASP 4 12.332 -4.419 7.649
26 HB3 ASP 4 1HB ASP 4 11.046 -3.539 6.856
27 H TYR 5 H TYR 5 9.740 -6.768 6.858
28 HA TYR 5 HA TYR 5 8.274 -7.300 4.488
29 HB2 TYR 5 2HB TYR 5 7.725 -7.686 7.397
30 HB3 TYR 5 1HB TYR 5 6.415 -7.852 6.232
31 HD1 TYR 5 1HD TYR 5 9.873 -9.085 6.896
32 HD2 TYR 5 2HD TYR 5 6.059 -9.882 5.184
33 HE1 TYR 5 1HE TYR 5 10.574 -11.393 6.413
34 HE2 TYR 5 2HE TYR 5 6.752 -12.188 4.697
35 HH TYR 5 HH TYR 5 9.543 -13.592 6.023
36 H ARG 6 H ARG 6 8.384 -4.564 6.526
37 HA ARG 6 HA ARG 6 5.850 -3.456 5.976
38 HB2 ARG 6 2HB ARG 6 6.843 -1.334 6.628
39 HB3 ARG 6 1HB ARG 6 7.335 -2.614 7.733
40 HG2 ARG 6 2HG ARG 6 9.436 -2.825 6.399
41 HG3 ARG 6 1HG ARG 6 8.937 -1.376 5.535
42 HD2 ARG 6 2HD ARG 6 10.467 -0.782 7.314
43 HD3 ARG 6 1HD ARG 6 8.855 -0.163 7.685
44 HE ARG 6 HE ARG 6 9.188 -2.727 8.828
45 HH11 ARG 6 1HH1 ARG 6 10.339 0.553 9.213
46 HH12 ARG 6 2HH1 ARG 6 10.514 0.428 10.938
47 HH21 ARG 6 1HH2 ARG 6 9.456 -2.922 11.087
48 HH22 ARG 6 2HH2 ARG 6 10.042 -1.560 11.998
49 H CYS 7 H CYS 7 8.535 -4.017 3.990
50 HA CYS 7 HA CYS 7 7.630 -2.120 1.937
51 HB2 CYS 7 2HB CYS 7 10.100 -2.471 2.674
52 HB3 CYS 7 1HB CYS 7 10.010 -3.964 1.752
53 H GLN 8 H GLN 8 6.823 -5.051 3.021
54 HA GLN 8 HA GLN 8 6.187 -6.124 0.356
55 HB2 GLN 8 2HB GLN 8 6.279 -7.890 2.730
56 HB3 GLN 8 1HB GLN 8 6.485 -8.304 1.046
57 HG2 GLN 8 2HG GLN 8 8.509 -6.734 2.593
58 HG3 GLN 8 1HG GLN 8 8.506 -8.493 2.535
59 HE21 GLN 8 1HE2 GLN 8 10.478 -8.600 1.522
60 HE22 GLN 8 2HE2 GLN 8 10.692 -8.179 -0.150
61 H LEU 9 H LEU 9 5.108 -7.589 3.238
62 HA LEU 9 HA LEU 9 3.066 -8.135 4.020
63 HB2 LEU 9 2HB LEU 9 2.793 -5.159 3.696
64 HB3 LEU 9 1HB LEU 9 1.571 -6.143 4.478
65 HG LEU 9 HG LEU 9 4.428 -5.801 5.382
66 HD11 LEU 9 1HD1 LEU 9 1.820 -4.908 6.602
67 HD12 LEU 9 2HD1 LEU 9 3.040 -3.869 5.868
68 HD13 LEU 9 3HD1 LEU 9 3.409 -4.750 7.350
69 HD21 LEU 9 3HD2 LEU 9 3.777 -7.165 7.311
70 HD22 LEU 9 1HD2 LEU 9 3.679 -8.070 5.801
71 HD23 LEU 9 2HD2 LEU 9 2.209 -7.463 6.564
72 H SER 10 H SER 10 0.506 -7.088 3.562
73 HA SER 10 HA SER 10 0.026 -8.172 0.892
74 HB2 SER 10 2HB SER 10 -2.296 -8.468 1.710
75 HB3 SER 10 1HB SER 10 -1.108 -9.342 2.671
76 HG SER 10 HG SER 10 -2.887 -7.625 3.540
77 H ARG 11 H ARG 11 -1.569 -7.191 -0.451
78 HA ARG 11 HA ARG 11 -1.912 -4.301 -0.009
79 HB2 ARG 11 2HB ARG 11 -2.498 -4.596 -2.597
80 HB3 ARG 11 1HB ARG 11 -0.874 -4.250 -2.018
81 HG2 ARG 11 2HG ARG 11 -0.505 -6.703 -1.987
82 HG3 ARG 11 1HG ARG 11 -2.031 -6.884 -2.833
83 HD2 ARG 11 2HD ARG 11 -1.130 -5.443 -4.632
84 HD3 ARG 11 1HD ARG 11 0.405 -5.398 -3.763
85 HE ARG 11 HE ARG 11 -0.064 -8.051 -3.976
86 HH11 ARG 11 1HH1 ARG 11 -0.040 -5.531 -6.427
87 HH12 ARG 11 2HH1 ARG 11 0.453 -6.617 -7.684
88 HH21 ARG 11 1HH2 ARG 11 0.607 -9.436 -5.623
89 HH22 ARG 11 2HH2 ARG 11 0.853 -8.820 -7.227
90 H ASN 12 H ASN 12 -3.352 -7.322 -0.491
91 HA ASN 12 HA ASN 12 -5.433 -8.162 -0.534
92 HB2 ASN 12 2HB ASN 12 -5.884 -6.791 1.415
93 HB3 ASN 12 1HB ASN 12 -6.204 -5.401 0.415
94 HD21 ASN 12 1HD2 ASN 12 -7.358 -8.496 1.473
95 HD22 ASN 12 2HD2 ASN 12 -9.015 -8.255 1.019
96 H TYR 13 H TYR 13 -6.713 -5.034 -1.392
97 HA TYR 13 HA TYR 13 -6.094 -5.010 -4.097
98 HB2 TYR 13 2HB TYR 13 -7.680 -7.029 -3.975
99 HB3 TYR 13 1HB TYR 13 -8.948 -5.835 -3.717
100 HD1 TYR 13 2HD TYR 13 -6.198 -6.699 -6.066
101 HD2 TYR 13 1HD TYR 13 -9.985 -4.823 -5.559
102 HE1 TYR 13 2HE TYR 13 -6.329 -6.330 -8.489
103 HE2 TYR 13 1HE TYR 13 -10.122 -4.447 -7.987
104 HH TYR 13 HH TYR 13 -8.722 -4.296 -9.905
105 H GLY 14 H GLY 14 -9.205 -4.464 -2.596
106 HA2 GLY 14 2HA GLY 14 -9.552 -2.330 -1.480
107 HA3 GLY 14 1HA GLY 14 -8.598 -1.587 -2.743
108 H LYS 15 H LYS 15 -11.323 -3.891 -2.836
109 HA LYS 15 HA LYS 15 -12.648 -2.825 -5.019
110 HB2 LYS 15 2HB LYS 15 -14.107 -3.863 -2.641
111 HB3 LYS 15 1HB LYS 15 -14.591 -3.970 -4.319
112 HG2 LYS 15 2HG LYS 15 -12.141 -5.313 -3.303
113 HG3 LYS 15 1HG LYS 15 -13.727 -6.073 -3.179
114 HD2 LYS 15 2HD LYS 15 -12.471 -5.098 -5.746
115 HD3 LYS 15 1HD LYS 15 -12.497 -6.781 -5.207
116 HE2 LYS 15 2HE LYS 15 -14.992 -6.637 -5.144
117 HE3 LYS 15 1HE LYS 15 -14.868 -5.037 -5.870
118 HZ1 LYS 15 3HZ LYS 15 -13.970 -5.958 -7.842
119 HZ2 LYS 15 1HZ LYS 15 -15.321 -6.897 -7.439
120 HZ3 LYS 15 2HZ LYS 15 -13.762 -7.486 -7.132
121 H GLY 16 H GLY 16 -13.815 -2.481 -1.794
122 HA2 GLY 16 2HA GLY 16 -13.811 -0.175 -0.835
123 HA3 GLY 16 1HA GLY 16 -14.470 0.339 -2.377
124 H SER 17 H SER 17 -15.253 -0.439 0.739
125 HA SER 17 HA SER 17 -18.036 -0.987 -0.003
126 HB2 SER 17 2HB SER 17 -18.268 -1.512 2.471
127 HB3 SER 17 1HB SER 17 -17.241 -2.617 1.558
128 HG SER 17 HG SER 17 -16.594 -0.800 3.551
129 H GLY 18 H GLY 18 -15.998 0.999 2.043
130 HA2 GLY 18 2HA GLY 18 -18.011 3.155 1.846
131 HA3 GLY 18 1HA GLY 18 -16.891 2.980 3.193
132 H SER 19 H SER 19 -14.875 2.143 1.062
133 HA SER 19 HA SER 19 -13.078 3.016 0.046
134 HB2 SER 19 2HB SER 19 -13.471 4.805 -1.642
135 HB3 SER 19 1HB SER 19 -14.451 3.355 -1.835
136 HG SER 19 HG SER 19 -15.724 5.151 -0.263
137 H PHE 20 H PHE 20 -11.532 3.861 1.082
138 HA PHE 20 HA PHE 20 -11.781 6.495 2.327
139 HB2 PHE 20 2HB PHE 20 -10.038 4.100 2.816
140 HB3 PHE 20 1HB PHE 20 -9.577 5.680 3.405
141 HD1 PHE 20 2HD PHE 20 -12.165 3.065 3.602
142 HD2 PHE 20 1HD PHE 20 -10.543 6.581 5.370
143 HE1 PHE 20 2HE PHE 20 -13.557 2.700 5.594
144 HE2 PHE 20 1HE PHE 20 -11.935 6.221 7.367
145 HZ PHE 20 HZ PHE 20 -13.445 4.281 7.480
146 H THR 21 H THR 21 -9.854 4.488 0.271
147 HA THR 21 HA THR 21 -8.330 4.879 -1.372
148 HB THR 21 HB THR 21 -8.957 7.797 -1.133
149 HG1 THR 21 1HG THR 21 -10.881 7.179 -1.844
150 HG21 THR 21 3HG2 THR 21 -8.352 7.544 -3.653
151 HG22 THR 21 1HG2 THR 21 -7.571 6.052 -3.123
152 HG23 THR 21 2HG2 THR 21 -7.059 7.605 -2.454
153 H ASN 22 H ASN 22 -6.654 4.260 -0.378
154 HA ASN 22 HA ASN 22 -4.834 6.325 0.638
155 HB2 ASN 22 2HB ASN 22 -5.437 3.607 1.820
156 HB3 ASN 22 1HB ASN 22 -3.867 4.366 2.059
157 HD21 ASN 22 1HD2 ASN 22 -7.268 4.534 2.773
158 HD22 ASN 22 2HD2 ASN 22 -7.147 5.691 4.054
159 H TYR 23 H TYR 23 -2.519 5.064 0.579
160 HA TYR 23 HA TYR 23 -2.439 3.912 -2.114
161 HB2 TYR 23 2HB TYR 23 -0.187 5.080 -0.436
162 HB3 TYR 23 1HB TYR 23 -0.008 4.424 -2.056
163 HD1 TYR 23 1HD TYR 23 -2.039 6.973 -0.244
164 HD2 TYR 23 2HD TYR 23 -0.022 5.908 -3.828
165 HE1 TYR 23 1HE TYR 23 -2.546 9.193 -1.179
166 HE2 TYR 23 2HE TYR 23 -0.526 8.119 -4.778
167 HH TYR 23 HH TYR 23 -1.921 10.677 -2.841
168 H TYR 24 H TYR 24 -0.995 2.092 -2.449
169 HA TYR 24 HA TYR 24 0.016 0.681 -0.112
170 HB2 TYR 24 2HB TYR 24 -0.973 -1.415 -0.671
171 HB3 TYR 24 1HB TYR 24 -2.284 -0.245 -0.665
172 HD1 TYR 24 2HD TYR 24 -3.106 0.642 -2.915
173 HD2 TYR 24 1HD TYR 24 -0.540 -2.740 -2.577
174 HE1 TYR 24 2HE TYR 24 -3.773 -0.096 -5.162
175 HE2 TYR 24 1HE TYR 24 -1.196 -3.493 -4.768
176 HH TYR 24 HH TYR 24 -2.954 -3.214 -6.389
177 H TYR 25 H TYR 25 1.742 -0.745 -0.690
178 HA TYR 25 HA TYR 25 3.044 0.141 -3.109
179 HB2 TYR 25 2HB TYR 25 4.346 0.104 -1.058
180 HB3 TYR 25 1HB TYR 25 4.010 -1.601 -0.863
181 HD1 TYR 25 2HD TYR 25 5.852 0.867 -2.864
182 HD2 TYR 25 1HD TYR 25 5.304 -3.261 -2.004
183 HE1 TYR 25 2HE TYR 25 7.913 0.341 -4.095
184 HE2 TYR 25 1HE TYR 25 7.364 -3.797 -3.231
185 HH TYR 25 HH TYR 25 9.588 -1.399 -4.210
186 H ASP 26 H ASP 26 2.455 -0.804 -4.883
187 HA ASP 26 HA ASP 26 1.555 -3.549 -4.931
188 HB2 ASP 26 2HB ASP 26 0.404 -1.840 -6.275
189 HB3 ASP 26 1HB ASP 26 1.891 -1.540 -7.165
190 H LYS 27 H LYS 27 3.006 -5.139 -5.001
191 HA LYS 27 HA LYS 27 5.660 -4.613 -5.943
192 HB2 LYS 27 2HB LYS 27 5.629 -7.272 -5.313
193 HB3 LYS 27 1HB LYS 27 6.042 -5.959 -4.213
194 HG2 LYS 27 2HG LYS 27 3.502 -5.835 -3.846
195 HG3 LYS 27 1HG LYS 27 3.497 -7.485 -4.471
196 HD2 LYS 27 2HD LYS 27 3.639 -7.592 -2.075
197 HD3 LYS 27 1HD LYS 27 5.203 -8.065 -2.741
198 HE2 LYS 27 2HE LYS 27 4.721 -5.214 -2.012
199 HE3 LYS 27 1HE LYS 27 5.051 -6.381 -0.733
200 HZ1 LYS 27 3HZ LYS 27 7.095 -5.369 -1.400
201 HZ2 LYS 27 1HZ LYS 27 6.809 -5.718 -3.034
202 HZ3 LYS 27 2HZ LYS 27 7.114 -6.975 -1.946
203 H ALA 28 H ALA 28 3.198 -4.964 -7.783
204 HA ALA 28 HA ALA 28 4.434 -6.910 -9.599
205 HB1 ALA 28 1HB ALA 28 1.828 -5.404 -9.876
206 HB2 ALA 28 2HB ALA 28 1.997 -7.070 -9.323
207 HB3 ALA 28 3HB ALA 28 2.432 -6.641 -10.979
208 H THR 29 H THR 29 4.041 -3.577 -8.943
209 HA THR 29 HA THR 29 5.533 -2.902 -11.395
210 HB THR 29 HB THR 29 3.347 -1.829 -11.435
211 HG1 THR 29 1HG THR 29 4.815 0.402 -10.695
212 HG21 THR 29 3HG2 THR 29 4.101 -0.609 -8.778
213 HG22 THR 29 1HG2 THR 29 2.877 -1.854 -9.036
214 HG23 THR 29 2HG2 THR 29 2.651 -0.241 -9.713
215 H SER 30 H SER 30 5.763 -3.343 -8.162
216 HA SER 30 HA SER 30 7.171 -2.773 -6.498
217 HB2 SER 30 2HB SER 30 8.936 -2.154 -8.867
218 HB3 SER 30 1HB SER 30 9.511 -2.220 -7.200
219 HG SER 30 HG SER 30 8.819 -4.396 -7.114
220 H SER 31 H SER 31 5.290 -0.827 -7.132
221 HA SER 31 HA SER 31 6.605 1.487 -6.012
222 HB2 SER 31 2HB SER 31 5.126 2.793 -7.881
223 HB3 SER 31 1HB SER 31 6.846 2.438 -8.050
224 HG SER 31 HG SER 31 6.382 0.740 -9.358
225 H CYS 32 H CYS 32 4.969 3.170 -5.408
226 HA CYS 32 HA CYS 32 2.795 1.775 -4.069
227 HB2 CYS 32 2HB CYS 32 3.682 4.659 -3.811
228 HB3 CYS 32 1HB CYS 32 2.653 3.761 -2.693
229 H LYS 33 H LYS 33 0.739 1.883 -4.744
230 HA LYS 33 HA LYS 33 -0.158 4.232 -6.276
231 HB2 LYS 33 2HB LYS 33 0.162 2.343 -7.832
232 HB3 LYS 33 1HB LYS 33 -0.920 1.358 -6.879
233 HG2 LYS 33 2HG LYS 33 -2.110 2.101 -8.788
234 HG3 LYS 33 1HG LYS 33 -2.726 3.013 -7.412
235 HD2 LYS 33 2HD LYS 33 -0.601 4.094 -9.242
236 HD3 LYS 33 1HD LYS 33 -2.315 4.313 -9.561
237 HE2 LYS 33 2HE LYS 33 -2.467 5.333 -7.269
238 HE3 LYS 33 1HE LYS 33 -0.710 5.312 -7.221
239 HZ1 LYS 33 3HZ LYS 33 -0.701 6.687 -9.239
240 HZ2 LYS 33 1HZ LYS 33 -1.486 7.454 -7.941
241 HZ3 LYS 33 2HZ LYS 33 -2.398 6.760 -9.189
242 H THR 34 H THR 34 -2.806 3.854 -6.343
243 HA THR 34 HA THR 34 -3.359 3.856 -3.471
244 HB THR 34 HB THR 34 -5.518 5.021 -4.259
245 HG1 THR 34 1HG THR 34 -4.788 6.390 -6.198
246 HG21 THR 34 3HG2 THR 34 -2.849 6.400 -4.318
247 HG22 THR 34 1HG2 THR 34 -3.816 6.032 -2.886
248 HG23 THR 34 2HG2 THR 34 -4.414 7.186 -4.087
249 H PHE 35 H PHE 35 -5.610 3.405 -2.847
250 HA PHE 35 HA PHE 35 -7.266 1.707 -4.395
251 HB2 PHE 35 2HB PHE 35 -6.959 -0.379 -3.361
252 HB3 PHE 35 1HB PHE 35 -5.324 0.171 -3.674
253 HD1 PHE 35 1HD PHE 35 -5.008 2.054 -1.296
254 HD2 PHE 35 2HD PHE 35 -6.629 -1.877 -1.648
255 HE1 PHE 35 1HE PHE 35 -4.459 1.592 1.061
256 HE2 PHE 35 2HE PHE 35 -6.067 -2.326 0.700
257 HZ PHE 35 HZ PHE 35 -4.979 -0.588 2.058
258 H ARG 36 H ARG 36 -9.204 1.393 -3.426
259 HA ARG 36 HA ARG 36 -10.107 3.468 -1.834
260 HB2 ARG 36 2HB ARG 36 -11.228 0.764 -2.413
261 HB3 ARG 36 1HB ARG 36 -12.153 2.051 -1.664
262 HG2 ARG 36 2HG ARG 36 -10.940 2.082 -4.415
263 HG3 ARG 36 1HG ARG 36 -12.656 1.930 -4.028
264 HD2 ARG 36 2HD ARG 36 -12.565 4.164 -2.958
265 HD3 ARG 36 1HD ARG 36 -10.882 4.309 -3.475
266 HE ARG 36 HE ARG 36 -12.645 3.724 -5.656
267 HH11 ARG 36 1HH1 ARG 36 -11.344 6.322 -3.671
268 HH12 ARG 36 2HH1 ARG 36 -11.650 7.543 -4.866
269 HH21 ARG 36 1HH2 ARG 36 -13.032 5.347 -7.220
270 HH22 ARG 36 2HH2 ARG 36 -12.621 7.002 -6.858
271 H TYR 37 H TYR 37 -8.558 0.593 -0.965
272 HA TYR 37 HA TYR 37 -7.939 -0.358 0.968
273 HB2 TYR 37 2HB TYR 37 -7.415 1.797 1.881
274 HB3 TYR 37 1HB TYR 37 -9.117 2.149 2.175
275 HD1 TYR 37 1HD TYR 37 -6.287 0.006 3.247
276 HD2 TYR 37 2HD TYR 37 -10.125 1.560 4.220
277 HE1 TYR 37 1HE TYR 37 -6.045 -0.850 5.535
278 HE2 TYR 37 2HE TYR 37 -9.895 0.705 6.514
279 HH TYR 37 HH TYR 37 -8.583 -1.137 7.673
280 H ARG 38 H ARG 38 -11.046 0.229 0.107
281 HA ARG 38 HA ARG 38 -12.994 -0.885 0.302
282 HB2 ARG 38 2HB ARG 38 -11.365 -2.582 2.153
283 HB3 ARG 38 1HB ARG 38 -13.102 -2.805 2.027
284 HG2 ARG 38 2HG ARG 38 -12.789 -3.186 -0.420
285 HG3 ARG 38 1HG ARG 38 -11.044 -3.142 -0.144
286 HD2 ARG 38 2HD ARG 38 -12.014 -5.442 -0.190
287 HD3 ARG 38 1HD ARG 38 -11.160 -5.048 1.303
288 HE ARG 38 HE ARG 38 -13.206 -4.980 2.443
289 HH11 ARG 38 1HH1 ARG 38 -13.607 -5.816 -0.926
290 HH12 ARG 38 2HH1 ARG 38 -15.275 -6.267 -0.756
291 HH21 ARG 38 1HH2 ARG 38 -15.387 -5.613 2.699
292 HH22 ARG 38 2HH2 ARG 38 -16.275 -6.200 1.321
293 H GLY 39 H GLY 39 -11.496 -0.682 3.495
294 HA2 GLY 39 2HA GLY 39 -12.282 0.809 5.214
295 HA3 GLY 39 1HA GLY 39 -13.865 0.797 4.443
296 H SER 40 H SER 40 -14.622 -1.655 4.169
297 HA SER 40 HA SER 40 -14.494 -2.839 6.830
298 HB2 SER 40 2HB SER 40 -16.550 -3.106 4.621
299 HB3 SER 40 1HB SER 40 -16.617 -3.934 6.167
300 HG SER 40 HG SER 40 -17.398 -2.196 7.037
301 H GLY 41 H GLY 41 -12.338 -3.569 5.920
302 HA2 GLY 41 2HA GLY 41 -11.802 -6.057 5.937
303 HA3 GLY 41 1HA GLY 41 -12.694 -6.083 4.432
304 H GLY 42 H GLY 42 -10.503 -3.583 5.472
305 HA2 GLY 42 2HA GLY 42 -8.972 -3.907 3.021
306 HA3 GLY 42 1HA GLY 42 -8.803 -2.606 4.194
307 H ASN 43 H ASN 43 -7.914 -5.888 3.393
308 HA ASN 43 HA ASN 43 -6.217 -6.035 5.770
309 HB2 ASN 43 2HB ASN 43 -7.166 -8.116 3.807
310 HB3 ASN 43 1HB ASN 43 -5.858 -8.443 4.939
311 HD21 ASN 43 1HD2 ASN 43 -8.495 -9.667 4.738
312 HD22 ASN 43 2HD2 ASN 43 -9.255 -9.423 6.275
313 H GLY 44 H GLY 44 -4.996 -4.268 4.637
314 HA2 GLY 44 2HA GLY 44 -2.781 -5.501 3.196
315 HA3 GLY 44 1HA GLY 44 -3.622 -4.177 2.400
316 H ASN 45 H ASN 45 -1.007 -3.921 2.839
317 HA ASN 45 HA ASN 45 -0.464 -2.509 5.286
318 HB2 ASN 45 2HB ASN 45 1.239 -3.848 4.038
319 HB3 ASN 45 1HB ASN 45 1.167 -2.665 2.739
320 HD21 ASN 45 1HD2 ASN 45 3.393 -2.342 3.031
321 HD22 ASN 45 2HD2 ASN 45 3.987 -1.350 4.313
322 H ARG 46 H ARG 46 -2.052 -0.892 5.249
323 HA ARG 46 HA ARG 46 -2.541 0.833 3.078
324 HB2 ARG 46 2HB ARG 46 -4.228 0.597 4.764
325 HB3 ARG 46 1HB ARG 46 -3.122 1.133 6.029
326 HG2 ARG 46 2HG ARG 46 -3.033 3.284 4.471
327 HG3 ARG 46 1HG ARG 46 -4.627 2.692 4.015
328 HD2 ARG 46 2HD ARG 46 -3.657 3.426 6.772
329 HD3 ARG 46 1HD ARG 46 -4.873 4.261 5.811
330 HE ARG 46 HE ARG 46 -5.484 1.510 6.478
331 HH11 ARG 46 1HH1 ARG 46 -5.860 4.896 7.278
332 HH12 ARG 46 2HH1 ARG 46 -7.208 4.624 8.353
333 HH21 ARG 46 1HH2 ARG 46 -7.259 1.145 7.899
334 HH22 ARG 46 2HH2 ARG 46 -8.000 2.500 8.700
335 H PHE 47 H PHE 47 -1.699 2.676 2.453
336 HA PHE 47 HA PHE 47 0.273 4.045 4.165
337 HB2 PHE 47 2HB PHE 47 0.361 3.446 1.211
338 HB3 PHE 47 1HB PHE 47 1.304 4.752 1.911
339 HD1 PHE 47 1HD PHE 47 2.712 4.052 4.017
340 HD2 PHE 47 2HD PHE 47 1.355 1.391 0.995
341 HE1 PHE 47 1HE PHE 47 4.500 2.484 4.606
342 HE2 PHE 47 2HE PHE 47 3.148 -0.190 1.577
343 HZ PHE 47 HZ PHE 47 4.728 0.356 3.389
344 H LYS 48 H LYS 48 -0.298 6.090 4.582
345 HA LYS 48 HA LYS 48 -2.708 7.201 3.622
346 HB2 LYS 48 2HB LYS 48 -0.366 8.384 5.115
347 HB3 LYS 48 1HB LYS 48 -1.728 9.372 4.621
348 HG2 LYS 48 2HG LYS 48 -1.792 8.581 6.987
349 HG3 LYS 48 1HG LYS 48 -3.219 8.190 6.031
350 HD2 LYS 48 2HD LYS 48 -2.717 5.935 5.964
351 HD3 LYS 48 1HD LYS 48 -1.001 6.203 6.271
352 HE2 LYS 48 2HE LYS 48 -3.038 6.899 8.352
353 HE3 LYS 48 1HE LYS 48 -2.515 5.228 8.146
354 HZ1 LYS 48 3HZ LYS 48 -0.593 7.455 8.539
355 HZ2 LYS 48 1HZ LYS 48 -0.312 5.790 8.684
356 HZ3 LYS 48 2HZ LYS 48 -1.260 6.587 9.837
357 H THR 49 H THR 49 0.657 7.773 2.748
358 HA THR 49 HA THR 49 -0.271 8.952 0.228
359 HB THR 49 HB THR 49 1.617 10.579 0.334
360 HG1 THR 49 1HG THR 49 1.880 10.689 3.002
361 HG21 THR 49 3HG2 THR 49 0.501 12.164 1.832
362 HG22 THR 49 1HG2 THR 49 -0.426 10.842 2.541
363 HG23 THR 49 2HG2 THR 49 -0.672 11.284 0.851
364 H LEU 50 H LEU 50 1.428 8.901 -1.466
365 HA LEU 50 HA LEU 50 2.821 6.382 -1.322
366 HB2 LEU 50 2HB LEU 50 2.236 6.358 -3.462
367 HB3 LEU 50 1HB LEU 50 1.735 8.021 -3.384
368 HG LEU 50 HG LEU 50 3.203 7.626 -5.259
369 HD11 LEU 50 1HD1 LEU 50 4.379 9.369 -3.130
370 HD12 LEU 50 2HD1 LEU 50 3.290 9.823 -4.441
371 HD13 LEU 50 3HD1 LEU 50 4.950 9.345 -4.798
372 HD21 LEU 50 3HD2 LEU 50 4.499 5.753 -4.388
373 HD22 LEU 50 1HD2 LEU 50 5.353 6.842 -3.295
374 HD23 LEU 50 2HD2 LEU 50 5.535 7.022 -5.042
375 H GLU 51 H GLU 51 3.515 9.725 -1.037
376 HA GLU 51 HA GLU 51 6.331 9.546 -1.321
377 HB2 GLU 51 2HB GLU 51 6.344 11.719 -0.063
378 HB3 GLU 51 1HB GLU 51 5.315 11.699 -1.488
379 HG2 GLU 51 2HG GLU 51 3.446 11.076 0.196
380 HG3 GLU 51 1HG GLU 51 4.557 11.735 1.393
381 H ASP 52 H ASP 52 4.151 8.951 1.316
382 HA ASP 52 HA ASP 52 6.168 8.537 3.326
383 HB2 ASP 52 2HB ASP 52 3.730 9.057 3.770
384 HB3 ASP 52 1HB ASP 52 3.343 7.439 3.210
385 H CYS 53 H CYS 53 4.115 6.486 1.354
386 HA CYS 53 HA CYS 53 5.089 3.981 2.025
387 HB2 CYS 53 2HB CYS 53 3.077 4.244 0.724
388 HB3 CYS 53 1HB CYS 53 3.964 5.031 -0.575
389 H GLU 54 H GLU 54 6.169 6.159 -0.582
390 HA GLU 54 HA GLU 54 8.139 4.363 -1.546
391 HB2 GLU 54 2HB GLU 54 8.870 6.126 -2.974
392 HB3 GLU 54 1HB GLU 54 7.125 6.279 -2.873
393 HG2 GLU 54 2HG GLU 54 7.343 8.118 -1.329
394 HG3 GLU 54 1HG GLU 54 9.088 7.903 -1.273
395 H ALA 55 H ALA 55 8.111 6.911 0.842
396 HA ALA 55 HA ALA 55 10.801 7.334 1.138
397 HB1 ALA 55 1HB ALA 55 8.566 7.343 3.157
398 HB2 ALA 55 2HB ALA 55 9.385 8.718 2.408
399 HB3 ALA 55 3HB ALA 55 10.228 7.738 3.607
400 H THR 56 H THR 56 8.895 5.114 3.155
401 HA THR 56 HA THR 56 11.156 3.790 4.156
402 HB THR 56 HB THR 56 9.174 3.667 5.457
403 HG1 THR 56 1HG THR 56 10.542 1.541 4.834
404 HG21 THR 56 3HG2 THR 56 7.861 2.269 3.124
405 HG22 THR 56 1HG2 THR 56 7.509 3.901 3.692
406 HG23 THR 56 2HG2 THR 56 7.138 2.513 4.714
407 H CYS 57 H CYS 57 8.893 2.754 1.590
408 HA CYS 57 HA CYS 57 10.267 0.222 1.425
409 HB2 CYS 57 2HB CYS 57 7.750 0.697 1.103
410 HB3 CYS 57 1HB CYS 57 8.188 1.228 -0.513
411 H VAL 58 H VAL 58 9.741 2.945 -0.817
412 HA VAL 58 HA VAL 58 11.340 1.731 -2.848
413 HB VAL 58 HB VAL 58 10.114 4.486 -2.680
414 HG11 VAL 58 1HG1 VAL 58 12.097 4.521 -4.118
415 HG12 VAL 58 2HG1 VAL 58 10.612 4.726 -5.048
416 HG13 VAL 58 3HG1 VAL 58 11.444 3.171 -5.047
417 HG21 VAL 58 3HG2 VAL 58 8.486 2.698 -2.822
418 HG22 VAL 58 1HG2 VAL 58 9.334 2.000 -4.203
419 HG23 VAL 58 2HG2 VAL 58 8.548 3.572 -4.353
420 H THR 59 H THR 59 11.953 4.374 -0.477
421 HA THR 59 HA THR 59 14.493 4.778 -1.854
422 HB THR 59 HB THR 59 14.651 6.670 -0.085
423 HG1 THR 59 1HG THR 59 12.472 5.948 0.725
424 HG21 THR 59 3HG2 THR 59 13.497 8.143 -1.803
425 HG22 THR 59 1HG2 THR 59 13.145 6.652 -2.675
426 HG23 THR 59 2HG2 THR 59 14.818 7.131 -2.388
427 H ALA 60 H ALA 60 13.325 3.645 1.247
428 HA ALA 60 HA ALA 60 15.989 3.553 2.331
429 HB1 ALA 60 1HB ALA 60 14.085 3.717 3.842
430 HB2 ALA 60 2HB ALA 60 15.030 2.264 4.167
431 HB3 ALA 60 3HB ALA 60 13.504 2.146 3.291
432 H GLU 61 H GLU 61 13.949 1.502 0.435
433 HA GLU 61 HA GLU 61 14.411 -0.254 -0.890
434 HB2 GLU 61 2HB GLU 61 17.223 0.628 -0.318
435 HB3 GLU 61 1HB GLU 61 16.820 -0.621 -1.488
436 HG2 GLU 61 2HG GLU 61 15.388 1.055 -2.657
437 HG3 GLU 61 1HG GLU 61 16.023 2.278 -1.559
Start of MODEL 2
1 H2 PRO 1 1HT PRO 1 13.962 -6.281 -0.430
2 H3 PRO 1 2HT PRO 1 12.950 -5.098 -0.929
3 HA PRO 1 HA PRO 1 11.663 -5.233 0.752
4 HB2 PRO 1 2HB PRO 1 11.604 -7.913 1.644
5 HB3 PRO 1 1HB PRO 1 10.341 -7.050 0.752
6 HG2 PRO 1 2HG PRO 1 12.477 -8.852 -0.257
7 HG3 PRO 1 1HG PRO 1 10.838 -8.587 -0.879
8 HD2 PRO 1 2HD PRO 1 12.953 -7.576 -2.152
9 HD3 PRO 1 1HD PRO 1 11.452 -6.641 -2.016
10 H ALA 2 H ALA 2 14.374 -4.721 0.903
11 HA ALA 2 HA ALA 2 15.505 -6.195 3.128
12 HB1 ALA 2 1HB ALA 2 16.512 -3.731 1.706
13 HB2 ALA 2 2HB ALA 2 16.951 -5.396 1.325
14 HB3 ALA 2 3HB ALA 2 17.412 -4.696 2.877
15 H GLN 3 H GLN 3 13.546 -3.429 2.614
16 HA GLN 3 HA GLN 3 13.818 -1.964 4.958
17 HB2 GLN 3 2HB GLN 3 11.727 -2.493 3.006
18 HB3 GLN 3 1HB GLN 3 11.066 -2.284 4.617
19 HG2 GLN 3 2HG GLN 3 12.763 -0.325 3.109
20 HG3 GLN 3 1HG GLN 3 11.034 -0.219 3.396
21 HE21 GLN 3 1HE2 GLN 3 13.043 1.691 4.105
22 HE22 GLN 3 2HE2 GLN 3 12.991 1.871 5.831
23 H ASP 4 H ASP 4 11.405 -4.354 4.407
24 HA ASP 4 HA ASP 4 11.603 -6.112 6.473
25 HB2 ASP 4 2HB ASP 4 11.379 -4.289 8.018
26 HB3 ASP 4 1HB ASP 4 10.013 -3.630 7.161
27 H TYR 5 H TYR 5 9.084 -6.812 6.950
28 HA TYR 5 HA TYR 5 8.029 -7.361 4.339
29 HB2 TYR 5 2HB TYR 5 7.003 -7.937 7.116
30 HB3 TYR 5 1HB TYR 5 6.113 -8.383 5.660
31 HD1 TYR 5 2HD TYR 5 7.019 -10.061 4.115
32 HD2 TYR 5 1HD TYR 5 9.001 -9.133 7.762
33 HE1 TYR 5 2HE TYR 5 8.362 -12.107 3.900
34 HE2 TYR 5 1HE TYR 5 10.354 -11.177 7.551
35 HH TYR 5 HH TYR 5 10.518 -12.981 4.679
36 H ARG 6 H ARG 6 7.821 -4.726 6.381
37 HA ARG 6 HA ARG 6 5.192 -3.852 5.717
38 HB2 ARG 6 2HB ARG 6 5.833 -1.743 6.740
39 HB3 ARG 6 1HB ARG 6 6.309 -3.102 7.749
40 HG2 ARG 6 2HG ARG 6 8.593 -2.919 6.825
41 HG3 ARG 6 1HG ARG 6 8.070 -1.475 5.961
42 HD2 ARG 6 2HD ARG 6 9.208 -0.894 8.045
43 HD3 ARG 6 1HD ARG 6 7.516 -0.398 8.083
44 HE ARG 6 HE ARG 6 8.239 -2.980 9.277
45 HH11 ARG 6 1HH1 ARG 6 7.231 0.354 9.690
46 HH12 ARG 6 2HH1 ARG 6 6.760 0.140 11.350
47 HH21 ARG 6 1HH2 ARG 6 7.606 -3.264 11.465
48 HH22 ARG 6 2HH2 ARG 6 6.971 -1.909 12.359
49 H CYS 7 H CYS 7 8.076 -3.943 3.945
50 HA CYS 7 HA CYS 7 7.274 -1.777 2.151
51 HB2 CYS 7 2HB CYS 7 9.698 -2.133 2.689
52 HB3 CYS 7 1HB CYS 7 9.600 -3.708 1.905
53 H GLN 8 H GLN 8 5.709 -4.298 2.651
54 HA GLN 8 HA GLN 8 4.837 -4.641 -0.014
55 HB2 GLN 8 2HB GLN 8 5.201 -7.134 -0.127
56 HB3 GLN 8 1HB GLN 8 6.630 -6.141 -0.354
57 HG2 GLN 8 2HG GLN 8 7.304 -6.592 1.954
58 HG3 GLN 8 1HG GLN 8 5.872 -7.600 2.169
59 HE21 GLN 8 1HE2 GLN 8 7.042 -9.459 2.578
60 HE22 GLN 8 2HE2 GLN 8 7.924 -10.297 1.345
61 H LEU 9 H LEU 9 4.855 -6.651 2.920
62 HA LEU 9 HA LEU 9 3.186 -7.756 3.991
63 HB2 LEU 9 2HB LEU 9 1.906 -5.062 3.588
64 HB3 LEU 9 1HB LEU 9 1.213 -6.316 4.599
65 HG LEU 9 HG LEU 9 3.943 -5.108 5.044
66 HD11 LEU 9 1HD1 LEU 9 2.906 -3.896 6.894
67 HD12 LEU 9 2HD1 LEU 9 1.324 -4.503 6.406
68 HD13 LEU 9 3HD1 LEU 9 2.220 -3.421 5.341
69 HD21 LEU 9 3HD2 LEU 9 2.209 -6.872 6.773
70 HD22 LEU 9 1HD2 LEU 9 3.760 -6.173 7.239
71 HD23 LEU 9 2HD2 LEU 9 3.683 -7.362 5.939
72 H SER 10 H SER 10 0.530 -6.106 2.711
73 HA SER 10 HA SER 10 0.103 -7.883 0.482
74 HB2 SER 10 2HB SER 10 -2.065 -8.687 1.375
75 HB3 SER 10 1HB SER 10 -0.675 -9.272 2.283
76 HG SER 10 HG SER 10 -1.583 -8.440 3.965
77 H ARG 11 H ARG 11 -0.773 -6.744 -1.079
78 HA ARG 11 HA ARG 11 -1.869 -4.148 -0.573
79 HB2 ARG 11 2HB ARG 11 -2.242 -4.124 -3.056
80 HB3 ARG 11 1HB ARG 11 -0.574 -4.228 -2.512
81 HG2 ARG 11 2HG ARG 11 -0.703 -6.650 -2.819
82 HG3 ARG 11 1HG ARG 11 -2.295 -6.447 -3.537
83 HD2 ARG 11 2HD ARG 11 -1.242 -4.896 -5.183
84 HD3 ARG 11 1HD ARG 11 0.318 -5.370 -4.516
85 HE ARG 11 HE ARG 11 -0.746 -7.753 -5.112
86 HH11 ARG 11 1HH1 ARG 11 -0.390 -4.840 -7.035
87 HH12 ARG 11 2HH1 ARG 11 -0.454 -5.685 -8.541
88 HH21 ARG 11 1HH2 ARG 11 -0.881 -8.847 -7.106
89 HH22 ARG 11 2HH2 ARG 11 -0.754 -7.950 -8.595
90 H ASN 12 H ASN 12 -2.980 -7.180 -1.866
91 HA ASN 12 HA ASN 12 -4.973 -8.111 -2.322
92 HB2 ASN 12 2HB ASN 12 -5.064 -8.210 0.091
93 HB3 ASN 12 1HB ASN 12 -5.723 -6.590 0.167
94 HD21 ASN 12 1HD2 ASN 12 -6.343 -9.880 -0.785
95 HD22 ASN 12 2HD2 ASN 12 -8.070 -9.771 -0.781
96 H TYR 13 H TYR 13 -6.487 -5.291 -0.936
97 HA TYR 13 HA TYR 13 -7.230 -3.909 -3.240
98 HB2 TYR 13 2HB TYR 13 -8.375 -6.196 -3.585
99 HB3 TYR 13 1HB TYR 13 -9.444 -5.711 -2.284
100 HD1 TYR 13 2HD TYR 13 -8.178 -4.504 -5.578
101 HD2 TYR 13 1HD TYR 13 -11.377 -4.535 -2.778
102 HE1 TYR 13 2HE TYR 13 -9.584 -3.278 -7.179
103 HE2 TYR 13 1HE TYR 13 -12.791 -3.315 -4.371
104 HH TYR 13 HH TYR 13 -12.630 -1.922 -6.266
105 H GLY 14 H GLY 14 -8.297 -5.200 -0.200
106 HA2 GLY 14 2HA GLY 14 -8.059 -3.152 1.465
107 HA3 GLY 14 1HA GLY 14 -9.515 -2.674 0.599
108 H LYS 15 H LYS 15 -9.910 -2.966 3.184
109 HA LYS 15 HA LYS 15 -10.433 -5.569 4.104
110 HB2 LYS 15 2HB LYS 15 -11.992 -3.241 5.052
111 HB3 LYS 15 1HB LYS 15 -11.406 -4.611 5.970
112 HG2 LYS 15 2HG LYS 15 -9.724 -2.413 4.833
113 HG3 LYS 15 1HG LYS 15 -10.207 -2.557 6.520
114 HD2 LYS 15 2HD LYS 15 -8.441 -4.446 4.961
115 HD3 LYS 15 1HD LYS 15 -7.938 -3.356 6.253
116 HE2 LYS 15 2HE LYS 15 -9.837 -5.684 6.551
117 HE3 LYS 15 1HE LYS 15 -8.139 -5.679 7.023
118 HZ1 LYS 15 3HZ LYS 15 -8.661 -3.847 8.567
119 HZ2 LYS 15 1HZ LYS 15 -9.483 -5.281 8.936
120 HZ3 LYS 15 2HZ LYS 15 -10.308 -4.010 8.181
121 H GLY 16 H GLY 16 -12.903 -3.151 3.602
122 HA2 GLY 16 2HA GLY 16 -14.279 -3.843 1.482
123 HA3 GLY 16 1HA GLY 16 -14.648 -5.222 2.494
124 H SER 17 H SER 17 -15.321 -1.934 1.810
125 HA SER 17 HA SER 17 -17.888 -2.351 3.003
126 HB2 SER 17 2HB SER 17 -17.909 -0.355 4.414
127 HB3 SER 17 1HB SER 17 -16.664 -1.487 4.932
128 HG SER 17 HG SER 17 -16.431 1.077 4.062
129 H GLY 18 H GLY 18 -16.141 0.573 2.090
130 HA2 GLY 18 2HA GLY 18 -17.518 0.745 -0.421
131 HA3 GLY 18 1HA GLY 18 -18.136 1.867 0.777
132 H SER 19 H SER 19 -14.972 0.736 -0.266
133 HA SER 19 HA SER 19 -13.016 1.756 -0.735
134 HB2 SER 19 2HB SER 19 -13.180 3.791 -2.215
135 HB3 SER 19 1HB SER 19 -14.006 2.345 -2.780
136 HG SER 19 HG SER 19 -15.885 3.302 -2.551
137 H PHE 20 H PHE 20 -12.101 4.287 -0.917
138 HA PHE 20 HA PHE 20 -12.505 6.066 1.148
139 HB2 PHE 20 2HB PHE 20 -11.943 3.922 2.473
140 HB3 PHE 20 1HB PHE 20 -10.315 4.158 1.877
141 HD1 PHE 20 2HD PHE 20 -12.921 5.501 4.065
142 HD2 PHE 20 1HD PHE 20 -8.915 5.911 2.706
143 HE1 PHE 20 2HE PHE 20 -12.457 7.055 5.916
144 HE2 PHE 20 1HE PHE 20 -8.440 7.465 4.552
145 HZ PHE 20 HZ PHE 20 -10.215 8.035 6.164
146 H THR 21 H THR 21 -10.027 4.156 -0.323
147 HA THR 21 HA THR 21 -8.445 4.602 -1.907
148 HB THR 21 HB THR 21 -9.190 7.501 -1.831
149 HG1 THR 21 1HG THR 21 -10.888 7.058 -3.067
150 HG21 THR 21 3HG2 THR 21 -8.402 7.228 -4.264
151 HG22 THR 21 1HG2 THR 21 -7.694 5.708 -3.710
152 HG23 THR 21 2HG2 THR 21 -7.179 7.238 -2.993
153 H ASN 22 H ASN 22 -6.741 4.144 -0.876
154 HA ASN 22 HA ASN 22 -5.108 6.362 0.134
155 HB2 ASN 22 2HB ASN 22 -5.585 3.679 1.433
156 HB3 ASN 22 1HB ASN 22 -4.048 4.506 1.652
157 HD21 ASN 22 1HD2 ASN 22 -5.195 7.158 1.658
158 HD22 ASN 22 2HD2 ASN 22 -6.019 7.335 3.170
159 H TYR 23 H TYR 23 -2.690 5.150 0.236
160 HA TYR 23 HA TYR 23 -2.491 3.977 -2.447
161 HB2 TYR 23 2HB TYR 23 -0.323 5.279 -0.767
162 HB3 TYR 23 1HB TYR 23 -0.064 4.528 -2.331
163 HD1 TYR 23 1HD TYR 23 -2.206 7.142 -0.763
164 HD2 TYR 23 2HD TYR 23 -0.056 5.873 -4.198
165 HE1 TYR 23 1HE TYR 23 -2.713 9.286 -1.860
166 HE2 TYR 23 2HE TYR 23 -0.558 8.006 -5.312
167 HH TYR 23 HH TYR 23 -2.131 9.809 -5.213
168 H TYR 24 H TYR 24 -0.901 2.293 -2.745
169 HA TYR 24 HA TYR 24 0.084 0.856 -0.417
170 HB2 TYR 24 2HB TYR 24 -0.856 -1.256 -1.039
171 HB3 TYR 24 1HB TYR 24 -2.195 -0.114 -1.029
172 HD1 TYR 24 2HD TYR 24 -2.993 0.813 -3.277
173 HD2 TYR 24 1HD TYR 24 -0.355 -2.507 -2.978
174 HE1 TYR 24 2HE TYR 24 -3.569 0.137 -5.572
175 HE2 TYR 24 1HE TYR 24 -0.912 -3.189 -5.220
176 HH TYR 24 HH TYR 24 -2.737 -2.901 -6.862
177 H TYR 25 H TYR 25 1.825 -0.626 -1.092
178 HA TYR 25 HA TYR 25 3.105 0.427 -3.473
179 HB2 TYR 25 2HB TYR 25 4.463 0.301 -1.477
180 HB3 TYR 25 1HB TYR 25 4.129 -1.411 -1.327
181 HD1 TYR 25 2HD TYR 25 5.973 1.121 -3.239
182 HD2 TYR 25 1HD TYR 25 5.311 -3.036 -2.637
183 HE1 TYR 25 2HE TYR 25 7.973 0.613 -4.578
184 HE2 TYR 25 1HE TYR 25 7.303 -3.553 -3.969
185 HH TYR 25 HH TYR 25 9.619 -1.271 -4.792
186 H ASP 26 H ASP 26 3.022 -0.497 -5.342
187 HA ASP 26 HA ASP 26 1.979 -3.221 -5.578
188 HB2 ASP 26 2HB ASP 26 0.740 -1.574 -6.820
189 HB3 ASP 26 1HB ASP 26 2.216 -0.930 -7.530
190 H LYS 27 H LYS 27 3.403 -4.819 -5.919
191 HA LYS 27 HA LYS 27 6.026 -4.176 -6.940
192 HB2 LYS 27 2HB LYS 27 6.064 -6.867 -6.457
193 HB3 LYS 27 1HB LYS 27 6.569 -5.611 -5.331
194 HG2 LYS 27 2HG LYS 27 4.041 -5.547 -4.774
195 HG3 LYS 27 1HG LYS 27 4.061 -7.192 -5.415
196 HD2 LYS 27 2HD LYS 27 4.391 -7.231 -3.006
197 HD3 LYS 27 1HD LYS 27 5.864 -7.758 -3.826
198 HE2 LYS 27 2HE LYS 27 5.550 -4.875 -3.166
199 HE3 LYS 27 1HE LYS 27 5.926 -5.994 -1.854
200 HZ1 LYS 27 3HZ LYS 27 7.539 -5.518 -4.311
201 HZ2 LYS 27 1HZ LYS 27 7.861 -6.748 -3.187
202 HZ3 LYS 27 2HZ LYS 27 7.961 -5.122 -2.719
203 H ALA 28 H ALA 28 3.574 -4.305 -8.689
204 HA ALA 28 HA ALA 28 4.520 -6.365 -10.561
205 HB1 ALA 28 1HB ALA 28 2.069 -4.599 -10.680
206 HB2 ALA 28 2HB ALA 28 2.104 -6.296 -10.202
207 HB3 ALA 28 3HB ALA 28 2.497 -5.840 -11.860
208 H THR 29 H THR 29 4.400 -3.015 -9.878
209 HA THR 29 HA THR 29 6.056 -2.479 -12.258
210 HB THR 29 HB THR 29 3.795 -1.488 -12.495
211 HG1 THR 29 1HG THR 29 5.408 0.760 -12.076
212 HG21 THR 29 3HG2 THR 29 4.544 0.187 -10.099
213 HG22 THR 29 1HG2 THR 29 3.383 -1.143 -10.077
214 HG23 THR 29 2HG2 THR 29 3.060 0.301 -11.044
215 H SER 30 H SER 30 6.023 -2.778 -9.039
216 HA SER 30 HA SER 30 7.370 -2.242 -7.323
217 HB2 SER 30 2HB SER 30 9.182 -1.382 -9.574
218 HB3 SER 30 1HB SER 30 9.696 -1.576 -7.896
219 HG SER 30 HG SER 30 9.851 -3.641 -8.249
220 H SER 31 H SER 31 5.410 -0.361 -7.723
221 HA SER 31 HA SER 31 6.674 1.906 -6.458
222 HB2 SER 31 2HB SER 31 4.997 2.385 -8.933
223 HB3 SER 31 1HB SER 31 5.790 3.604 -7.930
224 HG SER 31 HG SER 31 7.670 1.915 -8.658
225 H CYS 32 H CYS 32 4.848 3.573 -5.904
226 HA CYS 32 HA CYS 32 2.858 1.983 -4.496
227 HB2 CYS 32 2HB CYS 32 3.474 4.938 -4.297
228 HB3 CYS 32 1HB CYS 32 2.524 3.985 -3.152
229 H LYS 33 H LYS 33 0.833 1.843 -5.097
230 HA LYS 33 HA LYS 33 -0.349 3.806 -6.974
231 HB2 LYS 33 2HB LYS 33 -0.024 1.737 -8.131
232 HB3 LYS 33 1HB LYS 33 -0.682 0.796 -6.810
233 HG2 LYS 33 2HG LYS 33 -2.259 0.881 -8.605
234 HG3 LYS 33 1HG LYS 33 -2.878 1.845 -7.264
235 HD2 LYS 33 2HD LYS 33 -1.582 3.765 -8.591
236 HD3 LYS 33 1HD LYS 33 -1.950 2.692 -9.942
237 HE2 LYS 33 2HE LYS 33 -3.903 3.843 -7.973
238 HE3 LYS 33 1HE LYS 33 -3.717 4.329 -9.659
239 HZ1 LYS 33 3HZ LYS 33 -4.461 2.168 -10.367
240 HZ2 LYS 33 1HZ LYS 33 -5.609 2.813 -9.301
241 HZ3 LYS 33 2HZ LYS 33 -4.539 1.606 -8.773
242 H THR 34 H THR 34 -2.851 3.652 -6.765
243 HA THR 34 HA THR 34 -3.402 3.759 -3.882
244 HB THR 34 HB THR 34 -5.579 4.862 -4.655
245 HG1 THR 34 1HG THR 34 -4.096 5.774 -6.862
246 HG21 THR 34 3HG2 THR 34 -2.965 6.315 -4.954
247 HG22 THR 34 1HG2 THR 34 -3.796 5.966 -3.433
248 HG23 THR 34 2HG2 THR 34 -4.539 7.045 -4.623
249 H PHE 35 H PHE 35 -5.585 3.193 -3.184
250 HA PHE 35 HA PHE 35 -7.012 1.168 -4.629
251 HB2 PHE 35 2HB PHE 35 -6.461 -0.728 -3.374
252 HB3 PHE 35 1HB PHE 35 -4.900 0.032 -3.624
253 HD1 PHE 35 1HD PHE 35 -4.934 2.139 -1.505
254 HD2 PHE 35 2HD PHE 35 -6.235 -1.921 -1.454
255 HE1 PHE 35 1HE PHE 35 -4.573 2.030 0.929
256 HE2 PHE 35 2HE PHE 35 -5.862 -2.017 0.969
257 HZ PHE 35 HZ PHE 35 -5.027 -0.037 2.164
258 H ARG 36 H ARG 36 -8.792 0.389 -3.344
259 HA ARG 36 HA ARG 36 -10.129 2.667 -2.389
260 HB2 ARG 36 2HB ARG 36 -10.787 -0.237 -2.508
261 HB3 ARG 36 1HB ARG 36 -11.954 0.981 -2.019
262 HG2 ARG 36 2HG ARG 36 -10.612 0.688 -4.690
263 HG3 ARG 36 1HG ARG 36 -12.330 0.508 -4.325
264 HD2 ARG 36 2HD ARG 36 -12.404 2.888 -3.684
265 HD3 ARG 36 1HD ARG 36 -10.710 3.044 -4.139
266 HE ARG 36 HE ARG 36 -12.227 2.017 -6.305
267 HH11 ARG 36 1HH1 ARG 36 -11.532 4.973 -4.545
268 HH12 ARG 36 2HH1 ARG 36 -11.962 6.013 -5.862
269 HH21 ARG 36 1HH2 ARG 36 -12.779 3.403 -8.061
270 HH22 ARG 36 2HH2 ARG 36 -12.656 5.128 -7.859
271 H TYR 37 H TYR 37 -8.397 0.146 -0.866
272 HA TYR 37 HA TYR 37 -7.795 -0.290 1.244
273 HB2 TYR 37 2HB TYR 37 -7.307 2.013 1.606
274 HB3 TYR 37 1HB TYR 37 -9.014 2.414 1.792
275 HD1 TYR 37 1HD TYR 37 -6.614 -0.007 3.342
276 HD2 TYR 37 2HD TYR 37 -9.595 2.966 3.946
277 HE1 TYR 37 1HE TYR 37 -6.369 -0.267 5.773
278 HE2 TYR 37 2HE TYR 37 -9.361 2.716 6.382
279 HH TYR 37 HH TYR 37 -8.582 1.181 8.012
280 H ARG 38 H ARG 38 -11.081 0.675 0.752
281 HA ARG 38 HA ARG 38 -11.980 -1.416 2.627
282 HB2 ARG 38 2HB ARG 38 -13.237 1.240 1.942
283 HB3 ARG 38 1HB ARG 38 -14.122 -0.055 2.736
284 HG2 ARG 38 2HG ARG 38 -12.547 0.011 4.605
285 HG3 ARG 38 1HG ARG 38 -11.660 1.311 3.803
286 HD2 ARG 38 2HD ARG 38 -13.417 2.831 4.068
287 HD3 ARG 38 1HD ARG 38 -14.591 1.558 4.391
288 HE ARG 38 HE ARG 38 -12.628 2.650 6.272
289 HH11 ARG 38 1HH1 ARG 38 -15.262 0.439 5.609
290 HH12 ARG 38 2HH1 ARG 38 -15.640 0.184 7.291
291 HH21 ARG 38 1HH2 ARG 38 -13.146 2.319 8.492
292 HH22 ARG 38 2HH2 ARG 38 -14.453 1.257 8.907
293 H GLY 39 H GLY 39 -11.323 -2.359 0.305
294 HA2 GLY 39 2HA GLY 39 -13.514 -2.149 -1.601
295 HA3 GLY 39 1HA GLY 39 -11.991 -2.990 -1.848
296 H SER 40 H SER 40 -11.739 -5.116 -1.021
297 HA SER 40 HA SER 40 -13.842 -6.534 0.230
298 HB2 SER 40 2HB SER 40 -14.886 -6.137 -2.003
299 HB3 SER 40 1HB SER 40 -13.540 -6.991 -2.751
300 HG SER 40 HG SER 40 -15.698 -7.972 -1.291
301 H GLY 41 H GLY 41 -12.088 -7.329 1.464
302 HA2 GLY 41 2HA GLY 41 -11.159 -9.824 0.863
303 HA3 GLY 41 1HA GLY 41 -9.938 -8.755 0.189
304 H GLY 42 H GLY 42 -8.320 -9.365 1.585
305 HA2 GLY 42 2HA GLY 42 -8.785 -9.066 4.455
306 HA3 GLY 42 1HA GLY 42 -7.367 -9.785 3.704
307 H ASN 43 H ASN 43 -5.831 -8.397 2.691
308 HA ASN 43 HA ASN 43 -4.506 -6.582 2.479
309 HB2 ASN 43 2HB ASN 43 -6.292 -5.269 1.620
310 HB3 ASN 43 1HB ASN 43 -7.027 -5.094 3.210
311 HD21 ASN 43 1HD2 ASN 43 -4.355 -4.117 1.166
312 HD22 ASN 43 2HD2 ASN 43 -3.944 -2.695 2.067
313 H GLY 44 H GLY 44 -2.909 -5.940 3.716
314 HA2 GLY 44 2HA GLY 44 -3.483 -5.202 6.507
315 HA3 GLY 44 1HA GLY 44 -2.207 -6.360 6.151
316 H ASN 45 H ASN 45 -2.727 -3.826 3.894
317 HA ASN 45 HA ASN 45 -0.480 -2.283 4.980
318 HB2 ASN 45 2HB ASN 45 0.483 -3.856 3.359
319 HB3 ASN 45 1HB ASN 45 -0.658 -3.313 2.132
320 HD21 ASN 45 1HD2 ASN 45 2.213 -2.555 3.917
321 HD22 ASN 45 2HD2 ASN 45 2.698 -1.203 2.961
322 H ARG 46 H ARG 46 -0.811 -0.161 4.878
323 HA ARG 46 HA ARG 46 -2.491 0.993 2.804
324 HB2 ARG 46 2HB ARG 46 -4.169 0.658 4.444
325 HB3 ARG 46 1HB ARG 46 -3.102 1.160 5.755
326 HG2 ARG 46 2HG ARG 46 -3.089 3.446 4.610
327 HG3 ARG 46 1HG ARG 46 -4.464 2.844 3.685
328 HD2 ARG 46 2HD ARG 46 -5.252 4.082 5.604
329 HD3 ARG 46 1HD ARG 46 -5.643 2.374 5.798
330 HE ARG 46 HE ARG 46 -3.327 2.533 7.118
331 HH11 ARG 46 1HH1 ARG 46 -6.166 4.586 7.252
332 HH12 ARG 46 2HH1 ARG 46 -5.909 5.034 8.907
333 HH21 ARG 46 1HH2 ARG 46 -2.999 3.115 9.279
334 HH22 ARG 46 2HH2 ARG 46 -4.119 4.199 10.063
335 H PHE 47 H PHE 47 -1.626 2.788 2.078
336 HA PHE 47 HA PHE 47 0.175 4.341 3.823
337 HB2 PHE 47 2HB PHE 47 0.374 3.694 0.878
338 HB3 PHE 47 1HB PHE 47 1.271 5.018 1.605
339 HD1 PHE 47 1HD PHE 47 2.593 4.324 3.797
340 HD2 PHE 47 2HD PHE 47 1.437 1.673 0.676
341 HE1 PHE 47 1HE PHE 47 4.365 2.769 4.470
342 HE2 PHE 47 2HE PHE 47 3.212 0.104 1.347
343 HZ PHE 47 HZ PHE 47 4.682 0.652 3.247
344 H LYS 48 H LYS 48 -0.090 6.597 3.757
345 HA LYS 48 HA LYS 48 -2.690 7.425 2.749
346 HB2 LYS 48 2HB LYS 48 -0.662 8.702 4.546
347 HB3 LYS 48 1HB LYS 48 -1.927 9.673 3.813
348 HG2 LYS 48 2HG LYS 48 -2.511 8.987 6.073
349 HG3 LYS 48 1HG LYS 48 -3.628 8.322 4.883
350 HD2 LYS 48 2HD LYS 48 -2.881 6.174 5.183
351 HD3 LYS 48 1HD LYS 48 -1.286 6.692 5.726
352 HE2 LYS 48 2HE LYS 48 -3.830 7.053 7.303
353 HE3 LYS 48 1HE LYS 48 -2.710 5.709 7.524
354 HZ1 LYS 48 3HZ LYS 48 -1.006 7.208 8.201
355 HZ2 LYS 48 1HZ LYS 48 -2.389 7.557 9.112
356 HZ3 LYS 48 2HZ LYS 48 -1.951 8.568 7.825
357 H THR 49 H THR 49 0.698 8.378 2.325
358 HA THR 49 HA THR 49 -0.087 9.524 -0.273
359 HB THR 49 HB THR 49 1.822 11.096 -0.043
360 HG1 THR 49 1HG THR 49 1.876 10.147 2.658
361 HG21 THR 49 3HG2 THR 49 0.759 12.610 1.571
362 HG22 THR 49 1HG2 THR 49 -0.239 11.276 2.151
363 HG23 THR 49 2HG2 THR 49 -0.423 11.862 0.496
364 H LEU 50 H LEU 50 1.375 9.174 -2.003
365 HA LEU 50 HA LEU 50 2.776 6.704 -1.770
366 HB2 LEU 50 2HB LEU 50 2.168 6.595 -3.892
367 HB3 LEU 50 1HB LEU 50 1.652 8.256 -3.844
368 HG LEU 50 HG LEU 50 3.049 7.846 -5.752
369 HD11 LEU 50 1HD1 LEU 50 4.318 9.613 -3.696
370 HD12 LEU 50 2HD1 LEU 50 3.186 10.055 -4.975
371 HD13 LEU 50 3HD1 LEU 50 4.828 9.554 -5.383
372 HD21 LEU 50 3HD2 LEU 50 4.368 5.981 -4.979
373 HD22 LEU 50 1HD2 LEU 50 5.220 7.014 -3.827
374 HD23 LEU 50 2HD2 LEU 50 5.422 7.267 -5.563
375 H GLU 51 H GLU 51 3.613 10.021 -1.618
376 HA GLU 51 HA GLU 51 6.392 9.787 -2.020
377 HB2 GLU 51 2HB GLU 51 6.579 11.926 -0.826
378 HB3 GLU 51 1HB GLU 51 5.263 11.966 -1.991
379 HG2 GLU 51 2HG GLU 51 3.663 11.575 -0.185
380 HG3 GLU 51 1HG GLU 51 4.986 11.557 0.977
381 H ASP 52 H ASP 52 4.355 9.350 0.768
382 HA ASP 52 HA ASP 52 6.371 8.838 2.715
383 HB2 ASP 52 2HB ASP 52 3.991 9.391 3.250
384 HB3 ASP 52 1HB ASP 52 3.497 7.871 2.534
385 H CYS 53 H CYS 53 4.200 6.764 0.897
386 HA CYS 53 HA CYS 53 5.198 4.279 1.548
387 HB2 CYS 53 2HB CYS 53 3.128 4.472 0.388
388 HB3 CYS 53 1HB CYS 53 3.883 5.326 -0.955
389 H GLU 54 H GLU 54 6.193 6.392 -1.152
390 HA GLU 54 HA GLU 54 8.062 4.499 -2.167
391 HB2 GLU 54 2HB GLU 54 8.707 6.148 -3.749
392 HB3 GLU 54 1HB GLU 54 6.981 6.359 -3.529
393 HG2 GLU 54 2HG GLU 54 7.362 8.283 -2.127
394 HG3 GLU 54 1HG GLU 54 9.102 8.025 -2.198
395 H ALA 55 H ALA 55 8.195 7.106 0.114
396 HA ALA 55 HA ALA 55 10.923 7.511 0.170
397 HB1 ALA 55 1HB ALA 55 8.811 7.726 2.312
398 HB2 ALA 55 2HB ALA 55 9.647 9.020 1.446
399 HB3 ALA 55 3HB ALA 55 10.512 8.068 2.653
400 H THR 56 H THR 56 9.083 5.507 2.441
401 HA THR 56 HA THR 56 11.380 4.203 3.406
402 HB THR 56 HB THR 56 9.528 4.329 4.871
403 HG1 THR 56 1HG THR 56 10.703 2.371 5.050
404 HG21 THR 56 3HG2 THR 56 7.926 2.803 2.815
405 HG22 THR 56 1HG2 THR 56 7.717 4.498 3.258
406 HG23 THR 56 2HG2 THR 56 7.370 3.230 4.434
407 H CYS 57 H CYS 57 8.910 3.108 1.077
408 HA CYS 57 HA CYS 57 10.059 0.434 1.149
409 HB2 CYS 57 2HB CYS 57 7.581 0.888 1.151
410 HB3 CYS 57 1HB CYS 57 7.740 1.401 -0.525
411 H VAL 58 H VAL 58 9.806 3.143 -1.116
412 HA VAL 58 HA VAL 58 10.817 1.563 -3.292
413 HB VAL 58 HB VAL 58 10.152 4.498 -3.093
414 HG11 VAL 58 1HG1 VAL 58 12.083 4.261 -4.582
415 HG12 VAL 58 2HG1 VAL 58 10.622 4.689 -5.479
416 HG13 VAL 58 3HG1 VAL 58 11.219 3.030 -5.503
417 HG21 VAL 58 3HG2 VAL 58 8.241 3.044 -3.240
418 HG22 VAL 58 1HG2 VAL 58 8.954 2.177 -4.601
419 HG23 VAL 58 2HG2 VAL 58 8.452 3.856 -4.793
420 H THR 59 H THR 59 12.244 3.887 -0.976
421 HA THR 59 HA THR 59 14.676 3.931 -2.517
422 HB THR 59 HB THR 59 15.685 5.214 -0.762
423 HG1 THR 59 1HG THR 59 13.343 5.204 0.789
424 HG21 THR 59 3HG2 THR 59 12.854 6.160 -1.169
425 HG22 THR 59 1HG2 THR 59 14.144 6.311 -2.363
426 HG23 THR 59 2HG2 THR 59 14.268 7.157 -0.820
427 H ALA 60 H ALA 60 13.784 2.605 0.633
428 HA ALA 60 HA ALA 60 16.303 1.303 0.966
429 HB1 ALA 60 1HB ALA 60 15.011 2.053 2.882
430 HB2 ALA 60 2HB ALA 60 15.324 0.319 2.969
431 HB3 ALA 60 3HB ALA 60 13.733 0.905 2.479
432 H GLU 61 H GLU 61 13.230 0.364 -0.314
433 HA GLU 61 HA GLU 61 12.412 -1.520 -1.265
434 HB2 GLU 61 2HB GLU 61 15.318 -1.872 -1.979
435 HB3 GLU 61 1HB GLU 61 13.986 -2.735 -2.734
436 HG2 GLU 61 2HG GLU 61 13.081 -0.479 -3.411
437 HG3 GLU 61 1HG GLU 61 14.618 0.197 -2.878
Start of MODEL 3
1 H2 PRO 1 1HT PRO 1 17.951 -3.215 0.492
2 H3 PRO 1 2HT PRO 1 16.897 -2.737 -0.669
3 HA PRO 1 HA PRO 1 17.146 -4.473 -1.907
4 HB2 PRO 1 2HB PRO 1 19.695 -5.580 -1.158
5 HB3 PRO 1 1HB PRO 1 19.169 -4.972 -2.735
6 HG2 PRO 1 2HG PRO 1 20.663 -3.594 -0.596
7 HG3 PRO 1 1HG PRO 1 20.600 -3.243 -2.332
8 HD2 PRO 1 2HD PRO 1 19.410 -1.633 -0.554
9 HD3 PRO 1 1HD PRO 1 18.667 -1.960 -2.132
10 H ALA 2 H ALA 2 17.126 -4.090 1.313
11 HA ALA 2 HA ALA 2 15.947 -6.643 1.781
12 HB1 ALA 2 1HB ALA 2 18.307 -7.302 1.979
13 HB2 ALA 2 2HB ALA 2 17.467 -7.423 3.527
14 HB3 ALA 2 3HB ALA 2 18.545 -6.061 3.207
15 H GLN 3 H GLN 3 14.322 -5.007 2.206
16 HA GLN 3 HA GLN 3 14.816 -3.157 4.373
17 HB2 GLN 3 2HB GLN 3 12.093 -3.094 3.507
18 HB3 GLN 3 1HB GLN 3 13.335 -1.869 3.328
19 HG2 GLN 3 2HG GLN 3 12.642 -2.264 1.162
20 HG3 GLN 3 1HG GLN 3 14.108 -3.229 1.300
21 HE21 GLN 3 1HE2 GLN 3 11.968 -3.544 -0.571
22 HE22 GLN 3 2HE2 GLN 3 11.301 -5.133 -0.319
23 H ASP 4 H ASP 4 11.842 -4.883 3.770
24 HA ASP 4 HA ASP 4 11.712 -6.427 6.097
25 HB2 ASP 4 2HB ASP 4 11.862 -4.189 7.168
26 HB3 ASP 4 1HB ASP 4 10.392 -3.719 6.356
27 H TYR 5 H TYR 5 9.124 -6.438 6.723
28 HA TYR 5 HA TYR 5 7.836 -7.077 4.191
29 HB2 TYR 5 2HB TYR 5 7.188 -7.703 7.048
30 HB3 TYR 5 1HB TYR 5 5.957 -7.854 5.795
31 HD1 TYR 5 1HD TYR 5 9.386 -8.994 6.701
32 HD2 TYR 5 2HD TYR 5 5.850 -9.766 4.462
33 HE1 TYR 5 1HE TYR 5 10.272 -11.200 6.067
34 HE2 TYR 5 2HE TYR 5 6.725 -11.971 3.830
35 HH TYR 5 HH TYR 5 9.533 -13.332 5.299
36 H ARG 6 H ARG 6 7.972 -4.540 6.435
37 HA ARG 6 HA ARG 6 5.428 -3.374 6.001
38 HB2 ARG 6 2HB ARG 6 6.385 -1.373 6.945
39 HB3 ARG 6 1HB ARG 6 6.979 -2.763 7.846
40 HG2 ARG 6 2HG ARG 6 9.050 -2.696 6.523
41 HG3 ARG 6 1HG ARG 6 8.444 -1.252 5.719
42 HD2 ARG 6 2HD ARG 6 9.920 -0.540 7.453
43 HD3 ARG 6 1HD ARG 6 8.275 -0.177 7.975
44 HE ARG 6 HE ARG 6 9.074 -2.731 8.909
45 HH11 ARG 6 1HH1 ARG 6 9.500 0.702 9.498
46 HH12 ARG 6 2HH1 ARG 6 9.961 0.490 11.162
47 HH21 ARG 6 1HH2 ARG 6 9.673 -3.016 11.099
48 HH22 ARG 6 2HH2 ARG 6 10.036 -1.628 12.078
49 H CYS 7 H CYS 7 8.024 -3.859 3.952
50 HA CYS 7 HA CYS 7 7.314 -1.626 2.183
51 HB2 CYS 7 2HB CYS 7 9.726 -2.081 2.853
52 HB3 CYS 7 1HB CYS 7 9.625 -3.565 1.923
53 H GLN 8 H GLN 8 5.795 -4.162 2.726
54 HA GLN 8 HA GLN 8 5.087 -4.689 -0.000
55 HB2 GLN 8 2HB GLN 8 5.260 -7.266 0.502
56 HB3 GLN 8 1HB GLN 8 6.635 -6.379 -0.134
57 HG2 GLN 8 2HG GLN 8 7.547 -6.188 2.133
58 HG3 GLN 8 1HG GLN 8 6.176 -7.100 2.753
59 HE21 GLN 8 1HE2 GLN 8 9.102 -7.623 2.737
60 HE22 GLN 8 2HE2 GLN 8 9.265 -9.200 2.040
61 H LEU 9 H LEU 9 4.646 -6.693 2.890
62 HA LEU 9 HA LEU 9 2.794 -7.396 3.998
63 HB2 LEU 9 2HB LEU 9 2.104 -4.499 3.535
64 HB3 LEU 9 1HB LEU 9 1.167 -5.554 4.574
65 HG LEU 9 HG LEU 9 4.084 -4.907 4.984
66 HD11 LEU 9 1HD1 LEU 9 1.646 -3.817 6.377
67 HD12 LEU 9 2HD1 LEU 9 2.714 -2.925 5.294
68 HD13 LEU 9 3HD1 LEU 9 3.321 -3.514 6.840
69 HD21 LEU 9 3HD2 LEU 9 3.427 -7.067 5.895
70 HD22 LEU 9 1HD2 LEU 9 2.079 -6.310 6.745
71 HD23 LEU 9 2HD2 LEU 9 3.738 -5.905 7.185
72 H SER 10 H SER 10 0.056 -6.454 3.705
73 HA SER 10 HA SER 10 -0.546 -7.827 1.190
74 HB2 SER 10 2HB SER 10 -2.745 -8.297 2.163
75 HB3 SER 10 1HB SER 10 -1.438 -8.941 3.150
76 HG SER 10 HG SER 10 -1.687 -7.150 4.546
77 H ARG 11 H ARG 11 -1.200 -6.692 -0.435
78 HA ARG 11 HA ARG 11 -2.368 -4.049 -0.120
79 HB2 ARG 11 2HB ARG 11 -2.601 -4.473 -2.732
80 HB3 ARG 11 1HB ARG 11 -1.114 -3.889 -2.001
81 HG2 ARG 11 2HG ARG 11 -0.337 -6.220 -1.905
82 HG3 ARG 11 1HG ARG 11 -1.772 -6.704 -2.801
83 HD2 ARG 11 2HD ARG 11 -1.091 -5.161 -4.615
84 HD3 ARG 11 1HD ARG 11 0.377 -4.808 -3.705
85 HE ARG 11 HE ARG 11 0.723 -7.358 -3.871
86 HH11 ARG 11 1HH1 ARG 11 -0.652 -5.344 -6.411
87 HH12 ARG 11 2HH1 ARG 11 -0.207 -6.448 -7.672
88 HH21 ARG 11 1HH2 ARG 11 1.309 -8.784 -5.553
89 HH22 ARG 11 2HH2 ARG 11 0.901 -8.385 -7.199
90 H ASN 12 H ASN 12 -3.157 -7.289 -0.812
91 HA ASN 12 HA ASN 12 -5.002 -8.508 -1.146
92 HB2 ASN 12 2HB ASN 12 -5.612 -7.543 1.044
93 HB3 ASN 12 1HB ASN 12 -6.394 -6.207 0.219
94 HD21 ASN 12 1HD2 ASN 12 -6.568 -9.547 1.072
95 HD22 ASN 12 2HD2 ASN 12 -8.221 -9.799 0.608
96 H TYR 13 H TYR 13 -7.080 -5.776 -1.329
97 HA TYR 13 HA TYR 13 -7.046 -5.145 -4.018
98 HB2 TYR 13 2HB TYR 13 -7.732 -7.664 -4.044
99 HB3 TYR 13 1HB TYR 13 -9.282 -7.060 -3.474
100 HD1 TYR 13 2HD TYR 13 -6.963 -7.203 -6.302
101 HD2 TYR 13 1HD TYR 13 -10.733 -5.763 -4.950
102 HE1 TYR 13 2HE TYR 13 -7.610 -6.735 -8.624
103 HE2 TYR 13 1HE TYR 13 -11.387 -5.293 -7.275
104 HH TYR 13 HH TYR 13 -10.280 -4.837 -9.434
105 H GLY 14 H GLY 14 -9.399 -6.097 -1.647
106 HA2 GLY 14 2HA GLY 14 -10.860 -4.899 -0.435
107 HA3 GLY 14 1HA GLY 14 -9.944 -3.464 -0.812
108 H LYS 15 H LYS 15 -12.752 -5.343 -1.528
109 HA LYS 15 HA LYS 15 -13.544 -4.187 -3.940
110 HB2 LYS 15 2HB LYS 15 -15.501 -4.868 -1.824
111 HB3 LYS 15 1HB LYS 15 -15.674 -5.040 -3.556
112 HG2 LYS 15 2HG LYS 15 -13.874 -6.666 -1.805
113 HG3 LYS 15 1HG LYS 15 -15.442 -7.190 -2.410
114 HD2 LYS 15 2HD LYS 15 -14.424 -6.692 -4.745
115 HD3 LYS 15 1HD LYS 15 -12.877 -6.764 -3.899
116 HE2 LYS 15 2HE LYS 15 -14.954 -8.932 -4.130
117 HE3 LYS 15 1HE LYS 15 -13.323 -8.935 -4.795
118 HZ1 LYS 15 3HZ LYS 15 -12.426 -9.047 -2.572
119 HZ2 LYS 15 1HZ LYS 15 -13.547 -10.301 -2.784
120 HZ3 LYS 15 2HZ LYS 15 -13.976 -8.927 -1.893
121 H GLY 16 H GLY 16 -14.680 -3.435 -0.724
122 HA2 GLY 16 2HA GLY 16 -14.218 -1.003 -0.135
123 HA3 GLY 16 1HA GLY 16 -15.108 -0.654 -1.601
124 H SER 17 H SER 17 -15.297 -1.598 1.697
125 HA SER 17 HA SER 17 -18.178 -1.806 1.685
126 HB2 SER 17 2HB SER 17 -17.743 -1.844 4.236
127 HB3 SER 17 1HB SER 17 -17.203 -3.223 3.280
128 HG SER 17 HG SER 17 -15.718 -1.918 4.887
129 H GLY 18 H GLY 18 -15.685 0.407 2.723
130 HA2 GLY 18 2HA GLY 18 -17.733 2.528 2.906
131 HA3 GLY 18 1HA GLY 18 -16.263 2.513 3.868
132 H SER 19 H SER 19 -14.715 1.540 1.551
133 HA SER 19 HA SER 19 -13.218 2.405 0.113
134 HB2 SER 19 2HB SER 19 -14.194 3.785 -1.773
135 HB3 SER 19 1HB SER 19 -14.802 2.146 -1.564
136 HG SER 19 HG SER 19 -16.203 4.101 -0.190
137 H PHE 20 H PHE 20 -11.682 3.678 0.603
138 HA PHE 20 HA PHE 20 -12.256 6.407 1.539
139 HB2 PHE 20 2HB PHE 20 -11.393 4.586 3.175
140 HB3 PHE 20 1HB PHE 20 -9.863 4.836 2.363
141 HD1 PHE 20 1HD PHE 20 -8.755 7.050 2.449
142 HD2 PHE 20 2HD PHE 20 -12.206 6.146 4.764
143 HE1 PHE 20 1HE PHE 20 -8.272 8.969 3.908
144 HE2 PHE 20 2HE PHE 20 -11.729 8.065 6.225
145 HZ PHE 20 HZ PHE 20 -9.761 9.477 5.799
146 H THR 21 H THR 21 -9.968 4.300 0.033
147 HA THR 21 HA THR 21 -8.463 4.575 -1.688
148 HB THR 21 HB THR 21 -9.121 7.499 -1.740
149 HG1 THR 21 1HG THR 21 -10.804 7.035 -3.026
150 HG21 THR 21 3HG2 THR 21 -8.364 7.131 -4.156
151 HG22 THR 21 1HG2 THR 21 -7.714 5.592 -3.584
152 HG23 THR 21 2HG2 THR 21 -7.118 7.111 -2.907
153 H ASN 22 H ASN 22 -6.731 4.119 -0.729
154 HA ASN 22 HA ASN 22 -5.050 6.290 0.304
155 HB2 ASN 22 2HB ASN 22 -5.492 3.545 1.524
156 HB3 ASN 22 1HB ASN 22 -4.052 4.500 1.859
157 HD21 ASN 22 1HD2 ASN 22 -7.498 4.273 2.286
158 HD22 ASN 22 2HD2 ASN 22 -7.620 5.444 3.547
159 H TYR 23 H TYR 23 -2.670 5.279 0.295
160 HA TYR 23 HA TYR 23 -2.407 4.040 -2.341
161 HB2 TYR 23 2HB TYR 23 -0.339 5.353 -0.553
162 HB3 TYR 23 1HB TYR 23 0.037 4.574 -2.079
163 HD1 TYR 23 1HD TYR 23 -2.256 7.196 -0.726
164 HD2 TYR 23 2HD TYR 23 0.175 5.890 -3.955
165 HE1 TYR 23 1HE TYR 23 -2.715 9.303 -1.912
166 HE2 TYR 23 2HE TYR 23 -0.273 7.990 -5.153
167 HH TYR 23 HH TYR 23 -1.787 9.782 -5.225
168 H TYR 24 H TYR 24 -0.919 2.288 -2.632
169 HA TYR 24 HA TYR 24 0.000 0.826 -0.293
170 HB2 TYR 24 2HB TYR 24 -1.110 -1.208 -0.765
171 HB3 TYR 24 1HB TYR 24 -2.365 0.019 -0.871
172 HD1 TYR 24 2HD TYR 24 -3.259 0.680 -3.099
173 HD2 TYR 24 1HD TYR 24 -0.463 -2.495 -2.668
174 HE1 TYR 24 2HE TYR 24 -3.829 -0.137 -5.348
175 HE2 TYR 24 1HE TYR 24 -1.020 -3.319 -4.859
176 HH TYR 24 HH TYR 24 -2.202 -2.998 -6.728
177 H TYR 25 H TYR 25 1.837 -0.381 -0.803
178 HA TYR 25 HA TYR 25 3.099 0.311 -3.278
179 HB2 TYR 25 2HB TYR 25 4.304 0.116 -1.102
180 HB3 TYR 25 1HB TYR 25 4.025 -1.610 -1.159
181 HD1 TYR 25 2HD TYR 25 5.920 1.173 -2.608
182 HD2 TYR 25 1HD TYR 25 5.304 -3.038 -2.639
183 HE1 TYR 25 2HE TYR 25 7.987 0.885 -3.909
184 HE2 TYR 25 1HE TYR 25 7.366 -3.336 -3.943
185 HH TYR 25 HH TYR 25 8.734 -1.834 -5.583
186 H ASP 26 H ASP 26 2.678 -0.665 -5.103
187 HA ASP 26 HA ASP 26 1.548 -3.366 -5.048
188 HB2 ASP 26 2HB ASP 26 0.214 -1.563 -6.101
189 HB3 ASP 26 1HB ASP 26 1.506 -1.327 -7.273
190 H LYS 27 H LYS 27 2.643 -5.030 -5.791
191 HA LYS 27 HA LYS 27 5.311 -4.599 -6.773
192 HB2 LYS 27 2HB LYS 27 4.709 -7.366 -6.690
193 HB3 LYS 27 1HB LYS 27 5.720 -6.430 -5.598
194 HG2 LYS 27 2HG LYS 27 3.281 -5.754 -4.714
195 HG3 LYS 27 1HG LYS 27 2.979 -7.404 -5.256
196 HD2 LYS 27 2HD LYS 27 3.589 -7.476 -2.942
197 HD3 LYS 27 1HD LYS 27 4.932 -8.133 -3.878
198 HE2 LYS 27 2HE LYS 27 4.888 -5.233 -3.174
199 HE3 LYS 27 1HE LYS 27 5.372 -6.412 -1.955
200 HZ1 LYS 27 3HZ LYS 27 6.683 -5.814 -4.548
201 HZ2 LYS 27 1HZ LYS 27 7.010 -7.237 -3.682
202 HZ3 LYS 27 2HZ LYS 27 7.342 -5.727 -2.989
203 H ALA 28 H ALA 28 2.561 -4.505 -8.398
204 HA ALA 28 HA ALA 28 3.636 -5.978 -10.710
205 HB1 ALA 28 1HB ALA 28 0.900 -4.763 -10.309
206 HB2 ALA 28 2HB ALA 28 1.303 -6.474 -10.165
207 HB3 ALA 28 3HB ALA 28 1.427 -5.667 -11.729
208 H THR 29 H THR 29 3.504 -2.958 -9.300
209 HA THR 29 HA THR 29 4.249 -1.685 -11.851
210 HB THR 29 HB THR 29 2.047 -0.869 -11.028
211 HG1 THR 29 1HG THR 29 4.274 0.738 -11.433
212 HG21 THR 29 3HG2 THR 29 3.634 0.154 -8.673
213 HG22 THR 29 1HG2 THR 29 2.422 -1.124 -8.627
214 HG23 THR 29 2HG2 THR 29 1.946 0.530 -9.019
215 H SER 30 H SER 30 5.348 -2.819 -9.030
216 HA SER 30 HA SER 30 7.221 -2.609 -7.790
217 HB2 SER 30 2HB SER 30 8.145 -1.147 -10.262
218 HB3 SER 30 1HB SER 30 9.211 -1.698 -8.971
219 HG SER 30 HG SER 30 8.599 -3.070 -11.025
220 H SER 31 H SER 31 5.181 -0.546 -7.450
221 HA SER 31 HA SER 31 6.626 1.221 -5.787
222 HB2 SER 31 2HB SER 31 5.878 3.335 -7.060
223 HB3 SER 31 1HB SER 31 7.295 2.470 -7.657
224 HG SER 31 HG SER 31 5.910 1.455 -9.199
225 H CYS 32 H CYS 32 4.869 3.327 -5.580
226 HA CYS 32 HA CYS 32 2.793 1.950 -4.122
227 HB2 CYS 32 2HB CYS 32 3.351 4.919 -4.325
228 HB3 CYS 32 1HB CYS 32 2.407 4.098 -3.072
229 H LYS 33 H LYS 33 0.823 1.657 -4.771
230 HA LYS 33 HA LYS 33 -0.358 3.282 -6.930
231 HB2 LYS 33 2HB LYS 33 -0.180 0.496 -6.547
232 HB3 LYS 33 1HB LYS 33 -1.863 0.944 -6.412
233 HG2 LYS 33 2HG LYS 33 -0.099 1.728 -8.717
234 HG3 LYS 33 1HG LYS 33 -1.118 0.295 -8.685
235 HD2 LYS 33 2HD LYS 33 -2.114 3.107 -8.344
236 HD3 LYS 33 1HD LYS 33 -2.188 2.179 -9.839
237 HE2 LYS 33 2HE LYS 33 -3.447 1.401 -7.238
238 HE3 LYS 33 1HE LYS 33 -4.312 2.112 -8.602
239 HZ1 LYS 33 3HZ LYS 33 -4.619 -0.256 -8.604
240 HZ2 LYS 33 1HZ LYS 33 -2.949 -0.528 -8.534
241 HZ3 LYS 33 2HZ LYS 33 -3.632 0.149 -9.924
242 H THR 34 H THR 34 -3.010 2.636 -6.480
243 HA THR 34 HA THR 34 -3.472 3.304 -3.660
244 HB THR 34 HB THR 34 -5.499 4.658 -4.492
245 HG1 THR 34 1HG THR 34 -3.736 5.020 -6.722
246 HG21 THR 34 3HG2 THR 34 -2.695 5.736 -4.687
247 HG22 THR 34 1HG2 THR 34 -3.677 5.591 -3.225
248 HG23 THR 34 2HG2 THR 34 -4.160 6.706 -4.511
249 H PHE 35 H PHE 35 -5.716 3.019 -2.973
250 HA PHE 35 HA PHE 35 -7.415 1.218 -4.402
251 HB2 PHE 35 2HB PHE 35 -7.217 -0.694 -2.898
252 HB3 PHE 35 1HB PHE 35 -5.686 -0.384 -3.696
253 HD1 PHE 35 1HD PHE 35 -5.665 2.101 -1.340
254 HD2 PHE 35 2HD PHE 35 -5.538 -2.151 -1.580
255 HE1 PHE 35 1HE PHE 35 -4.555 2.003 0.849
256 HE2 PHE 35 2HE PHE 35 -4.415 -2.241 0.604
257 HZ PHE 35 HZ PHE 35 -3.921 -0.163 1.821
258 H ARG 36 H ARG 36 -9.300 0.718 -3.217
259 HA ARG 36 HA ARG 36 -10.362 2.977 -1.970
260 HB2 ARG 36 2HB ARG 36 -11.219 0.128 -2.162
261 HB3 ARG 36 1HB ARG 36 -12.251 1.381 -1.487
262 HG2 ARG 36 2HG ARG 36 -11.193 1.234 -4.298
263 HG3 ARG 36 1HG ARG 36 -12.862 0.976 -3.783
264 HD2 ARG 36 2HD ARG 36 -12.951 3.299 -2.978
265 HD3 ARG 36 1HD ARG 36 -11.301 3.546 -3.556
266 HE ARG 36 HE ARG 36 -13.160 2.623 -5.570
267 HH11 ARG 36 1HH1 ARG 36 -11.680 5.407 -4.021
268 HH12 ARG 36 2HH1 ARG 36 -12.029 6.480 -5.344
269 HH21 ARG 36 1HH2 ARG 36 -13.627 4.070 -7.305
270 HH22 ARG 36 2HH2 ARG 36 -13.114 5.729 -7.186
271 H TYR 37 H TYR 37 -8.615 0.330 -0.747
272 HA TYR 37 HA TYR 37 -7.794 -0.142 1.304
273 HB2 TYR 37 2HB TYR 37 -7.532 2.086 2.000
274 HB3 TYR 37 1HB TYR 37 -9.263 2.387 1.985
275 HD1 TYR 37 1HD TYR 37 -6.581 0.619 3.874
276 HD2 TYR 37 2HD TYR 37 -10.525 2.218 3.946
277 HE1 TYR 37 1HE TYR 37 -6.675 0.274 6.308
278 HE2 TYR 37 2HE TYR 37 -10.629 1.875 6.378
279 HH TYR 37 HH TYR 37 -7.943 1.270 8.270
280 H ARG 38 H ARG 38 -10.902 -0.141 0.352
281 HA ARG 38 HA ARG 38 -12.684 -1.493 0.664
282 HB2 ARG 38 2HB ARG 38 -10.993 -3.264 1.265
283 HB3 ARG 38 1HB ARG 38 -11.167 -2.777 2.946
284 HG2 ARG 38 2HG ARG 38 -13.690 -3.227 2.549
285 HG3 ARG 38 1HG ARG 38 -13.122 -4.156 1.161
286 HD2 ARG 38 2HD ARG 38 -11.711 -5.503 2.619
287 HD3 ARG 38 1HD ARG 38 -12.231 -4.557 4.014
288 HE ARG 38 HE ARG 38 -14.152 -6.114 2.408
289 HH11 ARG 38 1HH1 ARG 38 -12.665 -5.320 5.476
290 HH12 ARG 38 2HH1 ARG 38 -13.780 -6.261 6.419
291 HH21 ARG 38 1HH2 ARG 38 -15.617 -7.368 3.633
292 HH22 ARG 38 2HH2 ARG 38 -15.473 -7.412 5.370
293 H GLY 39 H GLY 39 -11.266 -0.916 3.843
294 HA2 GLY 39 2HA GLY 39 -12.221 0.854 5.254
295 HA3 GLY 39 1HA GLY 39 -13.797 0.390 4.637
296 H SER 40 H SER 40 -11.218 -0.429 6.834
297 HA SER 40 HA SER 40 -11.267 -1.359 8.875
298 HB2 SER 40 2HB SER 40 -13.289 -0.011 9.172
299 HB3 SER 40 1HB SER 40 -14.256 -1.308 8.482
300 HG SER 40 HG SER 40 -14.053 -2.464 10.283
301 H GLY 41 H GLY 41 -10.233 -3.262 8.408
302 HA2 GLY 41 2HA GLY 41 -10.563 -5.516 9.336
303 HA3 GLY 41 1HA GLY 41 -12.065 -5.588 8.429
304 H GLY 42 H GLY 42 -10.025 -4.083 6.415
305 HA2 GLY 42 2HA GLY 42 -8.692 -6.487 5.434
306 HA3 GLY 42 1HA GLY 42 -9.886 -5.751 4.373
307 H ASN 43 H ASN 43 -7.410 -5.957 3.418
308 HA ASN 43 HA ASN 43 -5.668 -4.840 2.501
309 HB2 ASN 43 2HB ASN 43 -7.501 -2.504 3.027
310 HB3 ASN 43 1HB ASN 43 -6.059 -2.418 2.019
311 HD21 ASN 43 1HD2 ASN 43 -7.207 -1.885 0.175
312 HD22 ASN 43 2HD2 ASN 43 -8.226 -3.003 -0.654
313 H GLY 44 H GLY 44 -4.300 -5.414 4.231
314 HA2 GLY 44 2HA GLY 44 -4.181 -3.955 6.657
315 HA3 GLY 44 1HA GLY 44 -3.014 -5.143 6.106
316 H ASN 45 H ASN 45 -2.187 -3.821 3.718
317 HA ASN 45 HA ASN 45 -0.355 -1.993 5.029
318 HB2 ASN 45 2HB ASN 45 0.423 -3.798 3.469
319 HB3 ASN 45 1HB ASN 45 -0.324 -2.900 2.150
320 HD21 ASN 45 1HD2 ASN 45 1.796 -2.789 1.230
321 HD22 ASN 45 2HD2 ASN 45 2.920 -1.601 1.789
322 H ARG 46 H ARG 46 -1.790 -0.276 5.407
323 HA ARG 46 HA ARG 46 -2.762 1.187 3.082
324 HB2 ARG 46 2HB ARG 46 -4.391 1.044 4.812
325 HB3 ARG 46 1HB ARG 46 -3.228 1.513 6.045
326 HG2 ARG 46 2HG ARG 46 -3.072 3.747 4.941
327 HG3 ARG 46 1HG ARG 46 -4.392 3.251 3.882
328 HD2 ARG 46 2HD ARG 46 -5.886 3.036 5.738
329 HD3 ARG 46 1HD ARG 46 -4.571 3.267 6.889
330 HE ARG 46 HE ARG 46 -5.261 5.436 5.020
331 HH11 ARG 46 1HH1 ARG 46 -5.056 4.192 8.290
332 HH12 ARG 46 2HH1 ARG 46 -5.335 5.736 9.041
333 HH21 ARG 46 1HH2 ARG 46 -5.632 7.484 6.001
334 HH22 ARG 46 2HH2 ARG 46 -5.642 7.605 7.741
335 H PHE 47 H PHE 47 -1.635 2.739 2.200
336 HA PHE 47 HA PHE 47 0.210 4.318 3.880
337 HB2 PHE 47 2HB PHE 47 0.277 3.662 0.930
338 HB3 PHE 47 1HB PHE 47 1.252 4.941 1.640
339 HD1 PHE 47 1HD PHE 47 2.569 4.123 3.833
340 HD2 PHE 47 2HD PHE 47 1.311 1.646 0.612
341 HE1 PHE 47 1HE PHE 47 4.318 2.503 4.404
342 HE2 PHE 47 2HE PHE 47 3.064 0.015 1.179
343 HZ PHE 47 HZ PHE 47 4.572 0.442 3.076
344 H LYS 48 H LYS 48 -0.004 6.580 3.774
345 HA LYS 48 HA LYS 48 -2.663 7.411 3.001
346 HB2 LYS 48 2HB LYS 48 -0.413 8.817 4.437
347 HB3 LYS 48 1HB LYS 48 -1.865 9.666 3.939
348 HG2 LYS 48 2HG LYS 48 -1.930 8.986 6.295
349 HG3 LYS 48 1HG LYS 48 -3.228 8.257 5.351
350 HD2 LYS 48 2HD LYS 48 -2.338 6.150 5.496
351 HD3 LYS 48 1HD LYS 48 -0.691 6.743 5.691
352 HE2 LYS 48 2HE LYS 48 -1.289 7.519 7.968
353 HE3 LYS 48 1HE LYS 48 -2.891 6.818 7.756
354 HZ1 LYS 48 3HZ LYS 48 -1.984 4.652 7.686
355 HZ2 LYS 48 1HZ LYS 48 -1.242 5.417 8.999
356 HZ3 LYS 48 2HZ LYS 48 -0.397 5.222 7.545
357 H THR 49 H THR 49 0.648 8.170 2.083
358 HA THR 49 HA THR 49 -0.367 9.171 -0.478
359 HB THR 49 HB THR 49 1.450 10.874 -0.503
360 HG1 THR 49 1HG THR 49 1.939 11.295 2.004
361 HG21 THR 49 3HG2 THR 49 0.331 12.486 0.954
362 HG22 THR 49 1HG2 THR 49 -0.521 11.169 1.761
363 HG23 THR 49 2HG2 THR 49 -0.845 11.519 0.063
364 H LEU 50 H LEU 50 1.466 9.196 -2.162
365 HA LEU 50 HA LEU 50 2.811 6.664 -1.928
366 HB2 LEU 50 2HB LEU 50 2.316 6.647 -4.091
367 HB3 LEU 50 1HB LEU 50 1.935 8.348 -4.076
368 HG LEU 50 HG LEU 50 3.510 7.790 -5.826
369 HD11 LEU 50 1HD1 LEU 50 4.548 9.547 -3.650
370 HD12 LEU 50 2HD1 LEU 50 3.720 9.993 -5.142
371 HD13 LEU 50 3HD1 LEU 50 5.373 9.380 -5.199
372 HD21 LEU 50 3HD2 LEU 50 4.622 5.869 -4.924
373 HD22 LEU 50 1HD2 LEU 50 5.364 6.828 -3.640
374 HD23 LEU 50 2HD2 LEU 50 5.820 7.097 -5.324
375 H GLU 51 H GLU 51 3.592 10.013 -1.669
376 HA GLU 51 HA GLU 51 6.406 9.667 -1.780
377 HB2 GLU 51 2HB GLU 51 6.547 11.903 -0.751
378 HB3 GLU 51 1HB GLU 51 5.480 11.860 -2.144
379 HG2 GLU 51 2HG GLU 51 3.540 11.824 -0.683
380 HG3 GLU 51 1HG GLU 51 4.597 11.813 0.731
381 H ASP 52 H ASP 52 4.049 9.414 0.764
382 HA ASP 52 HA ASP 52 5.921 9.022 2.904
383 HB2 ASP 52 2HB ASP 52 3.547 9.653 3.279
384 HB3 ASP 52 1HB ASP 52 3.043 8.104 2.630
385 H CYS 53 H CYS 53 3.885 6.919 0.986
386 HA CYS 53 HA CYS 53 4.737 4.435 1.833
387 HB2 CYS 53 2HB CYS 53 2.838 4.545 0.444
388 HB3 CYS 53 1HB CYS 53 3.688 5.456 -0.797
389 H GLU 54 H GLU 54 6.057 6.396 -0.843
390 HA GLU 54 HA GLU 54 8.062 4.482 -1.491
391 HB2 GLU 54 2HB GLU 54 8.900 6.057 -3.038
392 HB3 GLU 54 1HB GLU 54 7.164 6.272 -3.061
393 HG2 GLU 54 2HG GLU 54 7.328 8.274 -1.779
394 HG3 GLU 54 1HG GLU 54 9.035 7.983 -1.451
395 H ALA 55 H ALA 55 7.827 7.139 0.721
396 HA ALA 55 HA ALA 55 10.499 7.698 1.076
397 HB1 ALA 55 1HB ALA 55 8.226 7.755 3.055
398 HB2 ALA 55 2HB ALA 55 8.906 9.106 2.145
399 HB3 ALA 55 3HB ALA 55 9.847 8.346 3.428
400 H THR 56 H THR 56 8.533 5.539 3.096
401 HA THR 56 HA THR 56 10.793 4.366 4.328
402 HB THR 56 HB THR 56 8.785 4.290 5.567
403 HG1 THR 56 1HG THR 56 10.000 2.391 5.840
404 HG21 THR 56 3HG2 THR 56 7.508 2.798 3.271
405 HG22 THR 56 1HG2 THR 56 7.180 4.467 3.740
406 HG23 THR 56 2HG2 THR 56 6.749 3.146 4.825
407 H CYS 57 H CYS 57 8.689 3.212 1.720
408 HA CYS 57 HA CYS 57 9.950 0.625 1.734
409 HB2 CYS 57 2HB CYS 57 7.496 1.112 1.285
410 HB3 CYS 57 1HB CYS 57 7.989 1.694 -0.297
411 H VAL 58 H VAL 58 9.968 3.445 -0.429
412 HA VAL 58 HA VAL 58 11.478 2.026 -2.412
413 HB VAL 58 HB VAL 58 10.509 4.868 -2.241
414 HG11 VAL 58 1HG1 VAL 58 12.232 3.710 -4.434
415 HG12 VAL 58 2HG1 VAL 58 12.750 4.923 -3.261
416 HG13 VAL 58 3HG1 VAL 58 11.481 5.305 -4.430
417 HG21 VAL 58 3HG2 VAL 58 8.896 3.162 -2.880
418 HG22 VAL 58 1HG2 VAL 58 9.975 2.594 -4.157
419 HG23 VAL 58 2HG2 VAL 58 9.266 4.205 -4.255
420 H THR 59 H THR 59 12.312 4.355 0.186
421 HA THR 59 HA THR 59 14.972 4.718 -0.765
422 HB THR 59 HB THR 59 15.558 5.470 1.472
423 HG1 THR 59 1HG THR 59 12.895 5.118 2.306
424 HG21 THR 59 3HG2 THR 59 12.902 6.597 0.606
425 HG22 THR 59 1HG2 THR 59 14.449 6.986 -0.144
426 HG23 THR 59 2HG2 THR 59 14.151 7.423 1.539
427 H ALA 60 H ALA 60 13.541 2.562 1.591
428 HA ALA 60 HA ALA 60 15.871 1.172 2.306
429 HB1 ALA 60 1HB ALA 60 13.030 0.171 2.284
430 HB2 ALA 60 2HB ALA 60 13.812 1.044 3.602
431 HB3 ALA 60 3HB ALA 60 14.378 -0.564 3.149
432 H GLU 61 H GLU 61 13.779 0.911 -0.435
433 HA GLU 61 HA GLU 61 13.830 -0.254 -2.358
434 HB2 GLU 61 2HB GLU 61 16.717 -0.522 -1.557
435 HB3 GLU 61 1HB GLU 61 16.095 -1.116 -3.091
436 HG2 GLU 61 2HG GLU 61 15.273 1.229 -3.518
437 HG3 GLU 61 1HG GLU 61 16.215 1.719 -2.111
Start of MODEL 4
1 H2 PRO 1 1HT PRO 1 17.040 -5.605 -0.156
2 H3 PRO 1 2HT PRO 1 17.462 -5.363 -1.722
3 HA PRO 1 HA PRO 1 15.446 -5.605 -2.237
4 HB2 PRO 1 2HB PRO 1 14.976 -8.355 -1.481
5 HB3 PRO 1 1HB PRO 1 15.206 -7.668 -3.096
6 HG2 PRO 1 2HG PRO 1 17.040 -9.274 -1.865
7 HG3 PRO 1 1HG PRO 1 17.456 -8.051 -3.080
8 HD2 PRO 1 2HD PRO 1 17.644 -7.894 -0.087
9 HD3 PRO 1 1HD PRO 1 18.797 -7.339 -1.313
10 H ALA 2 H ALA 2 14.214 -4.390 -0.928
11 HA ALA 2 HA ALA 2 12.650 -3.840 0.612
12 HB1 ALA 2 1HB ALA 2 11.529 -5.885 -0.153
13 HB2 ALA 2 2HB ALA 2 11.229 -5.565 1.555
14 HB3 ALA 2 3HB ALA 2 12.387 -6.809 1.079
15 H GLN 3 H GLN 3 13.727 -2.730 2.122
16 HA GLN 3 HA GLN 3 15.557 -3.678 3.971
17 HB2 GLN 3 2HB GLN 3 15.232 -1.578 5.105
18 HB3 GLN 3 1HB GLN 3 15.173 -1.316 3.384
19 HG2 GLN 3 2HG GLN 3 12.826 -1.014 3.395
20 HG3 GLN 3 1HG GLN 3 12.709 -1.568 5.068
21 HE21 GLN 3 1HE2 GLN 3 11.881 0.951 3.804
22 HE22 GLN 3 2HE2 GLN 3 12.672 2.207 4.699
23 H ASP 4 H ASP 4 12.140 -3.153 4.249
24 HA ASP 4 HA ASP 4 11.979 -5.145 6.378
25 HB2 ASP 4 2HB ASP 4 12.036 -3.126 7.621
26 HB3 ASP 4 1HB ASP 4 10.914 -2.327 6.538
27 H TYR 5 H TYR 5 9.684 -5.708 6.812
28 HA TYR 5 HA TYR 5 8.625 -6.639 4.344
29 HB2 TYR 5 2HB TYR 5 7.745 -6.909 7.198
30 HB3 TYR 5 1HB TYR 5 6.757 -7.516 5.872
31 HD1 TYR 5 2HD TYR 5 7.491 -9.390 4.522
32 HD2 TYR 5 1HD TYR 5 9.866 -7.987 7.764
33 HE1 TYR 5 2HE TYR 5 8.815 -11.455 4.438
34 HE2 TYR 5 1HE TYR 5 11.201 -10.055 7.682
35 HH TYR 5 HH TYR 5 11.142 -12.169 5.086
36 H ARG 6 H ARG 6 8.073 -3.751 6.079
37 HA ARG 6 HA ARG 6 5.410 -3.255 5.229
38 HB2 ARG 6 2HB ARG 6 5.833 -0.951 5.820
39 HB3 ARG 6 1HB ARG 6 6.555 -1.996 7.037
40 HG2 ARG 6 2HG ARG 6 8.733 -1.729 5.929
41 HG3 ARG 6 1HG ARG 6 7.978 -0.612 4.796
42 HD2 ARG 6 2HD ARG 6 8.190 -0.273 7.783
43 HD3 ARG 6 1HD ARG 6 9.124 0.598 6.568
44 HE ARG 6 HE ARG 6 7.043 1.663 5.873
45 HH11 ARG 6 1HH1 ARG 6 7.005 -0.028 8.936
46 HH12 ARG 6 2HH1 ARG 6 5.747 0.967 9.615
47 HH21 ARG 6 1HH2 ARG 6 5.395 2.993 6.767
48 HH22 ARG 6 2HH2 ARG 6 4.862 2.701 8.398
49 H CYS 7 H CYS 7 8.291 -3.518 3.539
50 HA CYS 7 HA CYS 7 7.401 -1.841 1.309
51 HB2 CYS 7 2HB CYS 7 9.770 -1.740 2.099
52 HB3 CYS 7 1HB CYS 7 9.961 -3.423 1.636
53 H GLN 8 H GLN 8 6.642 -4.761 2.407
54 HA GLN 8 HA GLN 8 6.028 -5.730 -0.250
55 HB2 GLN 8 2HB GLN 8 6.759 -8.095 0.514
56 HB3 GLN 8 1HB GLN 8 7.964 -6.973 -0.096
57 HG2 GLN 8 2HG GLN 8 8.654 -6.444 2.163
58 HG3 GLN 8 1HG GLN 8 7.402 -7.500 2.814
59 HE21 GLN 8 1HE2 GLN 8 7.770 -9.532 0.770
60 HE22 GLN 8 2HE2 GLN 8 9.253 -10.338 1.158
61 H LEU 9 H LEU 9 5.895 -7.849 2.513
62 HA LEU 9 HA LEU 9 4.139 -9.095 3.254
63 HB2 LEU 9 2HB LEU 9 3.097 -6.295 3.607
64 HB3 LEU 9 1HB LEU 9 2.266 -7.705 4.232
65 HG LEU 9 HG LEU 9 5.056 -6.855 5.014
66 HD11 LEU 9 1HD1 LEU 9 4.017 -6.246 7.155
67 HD12 LEU 9 2HD1 LEU 9 2.429 -6.593 6.471
68 HD13 LEU 9 3HD1 LEU 9 3.401 -5.275 5.818
69 HD21 LEU 9 3HD2 LEU 9 4.846 -8.543 6.755
70 HD22 LEU 9 1HD2 LEU 9 4.684 -9.274 5.158
71 HD23 LEU 9 2HD2 LEU 9 3.252 -8.991 6.149
72 H SER 10 H SER 10 1.694 -6.899 2.478
73 HA SER 10 HA SER 10 1.009 -8.071 -0.068
74 HB2 SER 10 2HB SER 10 -1.263 -8.683 0.785
75 HB3 SER 10 1HB SER 10 0.048 -9.688 1.396
76 HG SER 10 HG SER 10 -1.634 -7.975 2.739
77 H ARG 11 H ARG 11 -0.859 -6.946 -1.031
78 HA ARG 11 HA ARG 11 -0.527 -4.118 -0.523
79 HB2 ARG 11 2HB ARG 11 -2.132 -4.133 -2.622
80 HB3 ARG 11 1HB ARG 11 -0.389 -4.321 -2.762
81 HG2 ARG 11 2HG ARG 11 -0.735 -6.750 -2.730
82 HG3 ARG 11 1HG ARG 11 -2.475 -6.482 -2.772
83 HD2 ARG 11 2HD ARG 11 -2.130 -5.181 -4.865
84 HD3 ARG 11 1HD ARG 11 -0.434 -5.660 -4.815
85 HE ARG 11 HE ARG 11 -2.469 -7.770 -4.799
86 HH11 ARG 11 1HH1 ARG 11 -0.027 -6.001 -6.582
87 HH12 ARG 11 2HH1 ARG 11 0.160 -7.227 -7.786
88 HH21 ARG 11 1HH2 ARG 11 -2.232 -9.383 -6.395
89 HH22 ARG 11 2HH2 ARG 11 -1.086 -9.152 -7.678
90 H ASN 12 H ASN 12 -2.872 -6.543 -0.127
91 HA ASN 12 HA ASN 12 -5.213 -4.934 -0.037
92 HB2 ASN 12 2HB ASN 12 -4.821 -7.579 -0.192
93 HB3 ASN 12 1HB ASN 12 -5.074 -7.459 1.533
94 HD21 ASN 12 1HD2 ASN 12 -6.667 -8.711 -0.581
95 HD22 ASN 12 2HD2 ASN 12 -8.246 -8.017 -0.444
96 H TYR 13 H TYR 13 -6.484 -5.697 2.193
97 HA TYR 13 HA TYR 13 -5.083 -5.266 4.637
98 HB2 TYR 13 2HB TYR 13 -5.368 -2.913 3.643
99 HB3 TYR 13 1HB TYR 13 -7.087 -3.132 3.909
100 HD1 TYR 13 1HD TYR 13 -7.982 -3.340 6.201
101 HD2 TYR 13 2HD TYR 13 -3.882 -2.457 5.485
102 HE1 TYR 13 1HE TYR 13 -7.739 -2.609 8.534
103 HE2 TYR 13 2HE TYR 13 -3.629 -1.720 7.818
104 HH TYR 13 HH TYR 13 -5.120 -0.844 9.654
105 H GLY 14 H GLY 14 -8.013 -5.165 2.832
106 HA2 GLY 14 2HA GLY 14 -9.371 -7.291 3.549
107 HA3 GLY 14 1HA GLY 14 -9.573 -6.330 5.009
108 H LYS 15 H LYS 15 -11.515 -5.415 5.033
109 HA LYS 15 HA LYS 15 -12.422 -4.142 2.575
110 HB2 LYS 15 2HB LYS 15 -14.597 -4.048 4.152
111 HB3 LYS 15 1HB LYS 15 -14.277 -5.344 3.007
112 HG2 LYS 15 2HG LYS 15 -13.087 -6.507 4.892
113 HG3 LYS 15 1HG LYS 15 -13.797 -5.305 5.966
114 HD2 LYS 15 2HD LYS 15 -16.043 -5.972 5.137
115 HD3 LYS 15 1HD LYS 15 -15.276 -7.256 4.202
116 HE2 LYS 15 2HE LYS 15 -16.109 -8.188 6.251
117 HE3 LYS 15 1HE LYS 15 -14.346 -8.167 6.315
118 HZ1 LYS 15 3HZ LYS 15 -16.169 -6.215 7.617
119 HZ2 LYS 15 1HZ LYS 15 -14.473 -6.132 7.646
120 HZ3 LYS 15 2HZ LYS 15 -15.274 -7.422 8.402
121 H GLY 16 H GLY 16 -13.794 -3.276 5.611
122 HA2 GLY 16 2HA GLY 16 -12.591 -1.684 7.059
123 HA3 GLY 16 1HA GLY 16 -12.067 -0.883 5.600
124 H SER 17 H SER 17 -13.576 0.295 4.388
125 HA SER 17 HA SER 17 -15.826 1.231 6.035
126 HB2 SER 17 2HB SER 17 -15.409 3.477 4.953
127 HB3 SER 17 1HB SER 17 -14.152 2.932 6.062
128 HG SER 17 HG SER 17 -12.910 3.362 4.400
129 H GLY 18 H GLY 18 -15.090 2.385 2.860
130 HA2 GLY 18 2HA GLY 18 -17.118 0.750 1.594
131 HA3 GLY 18 1HA GLY 18 -17.523 2.455 1.743
132 H SER 19 H SER 19 -16.037 3.992 0.793
133 HA SER 19 HA SER 19 -13.916 3.001 -0.856
134 HB2 SER 19 2HB SER 19 -14.825 4.312 -2.855
135 HB3 SER 19 1HB SER 19 -15.520 2.733 -2.502
136 HG SER 19 HG SER 19 -16.618 5.307 -2.002
137 H PHE 20 H PHE 20 -12.297 4.242 -0.594
138 HA PHE 20 HA PHE 20 -12.613 7.147 -0.562
139 HB2 PHE 20 2HB PHE 20 -12.293 6.197 1.788
140 HB3 PHE 20 1HB PHE 20 -10.699 5.707 1.264
141 HD1 PHE 20 2HD PHE 20 -12.696 8.827 0.812
142 HD2 PHE 20 1HD PHE 20 -9.100 7.038 2.227
143 HE1 PHE 20 2HE PHE 20 -11.825 11.052 1.397
144 HE2 PHE 20 1HE PHE 20 -8.223 9.260 2.813
145 HZ PHE 20 HZ PHE 20 -9.584 11.269 2.396
146 H THR 21 H THR 21 -9.684 7.378 -0.164
147 HA THR 21 HA THR 21 -8.598 5.756 -2.336
148 HB THR 21 HB THR 21 -7.960 8.663 -2.479
149 HG1 THR 21 1HG THR 21 -10.127 8.875 -2.687
150 HG21 THR 21 3HG2 THR 21 -8.333 6.673 -4.692
151 HG22 THR 21 1HG2 THR 21 -6.842 6.751 -3.749
152 HG23 THR 21 2HG2 THR 21 -7.367 8.150 -4.689
153 H ASN 22 H ASN 22 -7.236 4.789 -1.028
154 HA ASN 22 HA ASN 22 -5.095 6.418 0.197
155 HB2 ASN 22 2HB ASN 22 -6.060 3.617 0.868
156 HB3 ASN 22 1HB ASN 22 -4.604 4.350 1.536
157 HD21 ASN 22 1HD2 ASN 22 -8.059 4.272 1.601
158 HD22 ASN 22 2HD2 ASN 22 -8.265 5.296 2.977
159 H TYR 23 H TYR 23 -2.970 4.965 0.082
160 HA TYR 23 HA TYR 23 -2.856 4.153 -2.741
161 HB2 TYR 23 2HB TYR 23 -0.603 5.134 -0.966
162 HB3 TYR 23 1HB TYR 23 -0.474 4.743 -2.675
163 HD1 TYR 23 1HD TYR 23 -2.493 6.927 -0.432
164 HD2 TYR 23 2HD TYR 23 -0.524 6.511 -4.165
165 HE1 TYR 23 1HE TYR 23 -3.025 9.267 -0.958
166 HE2 TYR 23 2HE TYR 23 -1.052 8.852 -4.711
167 HH TYR 23 HH TYR 23 -2.737 10.573 -4.052
168 H TYR 24 H TYR 24 -1.368 2.378 -3.253
169 HA TYR 24 HA TYR 24 -0.428 0.757 -1.037
170 HB2 TYR 24 2HB TYR 24 -1.641 -1.170 -1.465
171 HB3 TYR 24 1HB TYR 24 -2.852 0.069 -1.747
172 HD1 TYR 24 2HD TYR 24 -3.601 0.566 -4.061
173 HD2 TYR 24 1HD TYR 24 -0.821 -2.546 -3.242
174 HE1 TYR 24 2HE TYR 24 -4.027 -0.412 -6.284
175 HE2 TYR 24 1HE TYR 24 -1.232 -3.532 -5.404
176 HH TYR 24 HH TYR 24 -3.039 -1.889 -7.877
177 H TYR 25 H TYR 25 1.331 -0.520 -1.604
178 HA TYR 25 HA TYR 25 2.625 0.386 -4.024
179 HB2 TYR 25 2HB TYR 25 3.839 0.336 -1.868
180 HB3 TYR 25 1HB TYR 25 3.654 -1.405 -1.829
181 HD1 TYR 25 1HD TYR 25 4.909 -2.826 -3.414
182 HD2 TYR 25 2HD TYR 25 5.530 1.377 -3.221
183 HE1 TYR 25 1HE TYR 25 7.009 -3.084 -4.664
184 HE2 TYR 25 2HE TYR 25 7.636 1.130 -4.468
185 HH TYR 25 HH TYR 25 8.445 -1.600 -6.175
186 H ASP 26 H ASP 26 2.805 -0.696 -5.840
187 HA ASP 26 HA ASP 26 2.061 -3.542 -5.864
188 HB2 ASP 26 2HB ASP 26 0.610 -2.188 -7.261
189 HB3 ASP 26 1HB ASP 26 2.004 -1.483 -8.073
190 H LYS 27 H LYS 27 3.735 -4.858 -5.936
191 HA LYS 27 HA LYS 27 6.310 -3.885 -6.746
192 HB2 LYS 27 2HB LYS 27 6.717 -6.501 -6.141
193 HB3 LYS 27 1HB LYS 27 6.797 -5.175 -4.985
194 HG2 LYS 27 2HG LYS 27 4.276 -5.536 -4.779
195 HG3 LYS 27 1HG LYS 27 4.597 -7.125 -5.475
196 HD2 LYS 27 2HD LYS 27 4.608 -7.320 -3.073
197 HD3 LYS 27 1HD LYS 27 6.259 -7.515 -3.661
198 HE2 LYS 27 2HE LYS 27 5.337 -4.795 -2.898
199 HE3 LYS 27 1HE LYS 27 5.689 -5.946 -1.607
200 HZ1 LYS 27 3HZ LYS 27 7.577 -5.070 -3.742
201 HZ2 LYS 27 1HZ LYS 27 7.916 -6.236 -2.554
202 HZ3 LYS 27 2HZ LYS 27 7.629 -4.629 -2.106
203 H ALA 28 H ALA 28 4.064 -4.514 -8.709
204 HA ALA 28 HA ALA 28 5.500 -6.436 -10.395
205 HB1 ALA 28 1HB ALA 28 2.801 -5.144 -10.808
206 HB2 ALA 28 2HB ALA 28 3.084 -6.766 -10.174
207 HB3 ALA 28 3HB ALA 28 3.527 -6.379 -11.837
208 H THR 29 H THR 29 4.967 -3.114 -9.895
209 HA THR 29 HA THR 29 6.487 -2.509 -12.335
210 HB THR 29 HB THR 29 4.165 -1.824 -12.683
211 HG1 THR 29 1HG THR 29 5.987 -0.463 -13.424
212 HG21 THR 29 3HG2 THR 29 4.534 -0.061 -10.260
213 HG22 THR 29 1HG2 THR 29 3.558 -1.532 -10.315
214 HG23 THR 29 2HG2 THR 29 3.110 -0.134 -11.295
215 H SER 30 H SER 30 6.300 -2.408 -9.032
216 HA SER 30 HA SER 30 7.677 -1.670 -7.414
217 HB2 SER 30 2HB SER 30 9.469 -2.177 -9.106
218 HB3 SER 30 1HB SER 30 9.415 -0.483 -9.587
219 HG SER 30 HG SER 30 9.709 -1.045 -6.866
220 H SER 31 H SER 31 5.481 -0.198 -7.720
221 HA SER 31 HA SER 31 6.365 2.307 -6.647
222 HB2 SER 31 2HB SER 31 4.880 3.631 -8.273
223 HB3 SER 31 1HB SER 31 6.452 3.090 -8.859
224 HG SER 31 HG SER 31 5.149 2.416 -10.442
225 H CYS 32 H CYS 32 4.182 3.744 -6.450
226 HA CYS 32 HA CYS 32 2.410 1.942 -4.944
227 HB2 CYS 32 2HB CYS 32 2.912 4.894 -4.537
228 HB3 CYS 32 1HB CYS 32 1.985 3.829 -3.479
229 H LYS 33 H LYS 33 0.416 1.722 -5.621
230 HA LYS 33 HA LYS 33 -0.753 3.668 -7.495
231 HB2 LYS 33 2HB LYS 33 -0.601 1.239 -8.153
232 HB3 LYS 33 1HB LYS 33 -1.699 0.860 -6.846
233 HG2 LYS 33 2HG LYS 33 -2.855 0.913 -8.976
234 HG3 LYS 33 1HG LYS 33 -3.434 2.208 -7.926
235 HD2 LYS 33 2HD LYS 33 -1.201 2.892 -9.737
236 HD3 LYS 33 1HD LYS 33 -2.756 2.566 -10.494
237 HE2 LYS 33 2HE LYS 33 -2.623 4.410 -8.154
238 HE3 LYS 33 1HE LYS 33 -2.145 4.995 -9.752
239 HZ1 LYS 33 3HZ LYS 33 -4.339 4.263 -10.579
240 HZ2 LYS 33 1HZ LYS 33 -4.451 5.469 -9.390
241 HZ3 LYS 33 2HZ LYS 33 -4.788 3.855 -8.995
242 H THR 34 H THR 34 -3.427 3.113 -7.054
243 HA THR 34 HA THR 34 -3.782 3.779 -4.213
244 HB THR 34 HB THR 34 -5.753 5.218 -5.023
245 HG1 THR 34 1HG THR 34 -5.470 6.122 -7.071
246 HG21 THR 34 3HG2 THR 34 -2.913 6.150 -5.350
247 HG22 THR 34 1HG2 THR 34 -3.826 6.064 -3.841
248 HG23 THR 34 2HG2 THR 34 -4.322 7.188 -5.111
249 H PHE 35 H PHE 35 -6.111 3.662 -3.542
250 HA PHE 35 HA PHE 35 -7.897 1.932 -4.910
251 HB2 PHE 35 2HB PHE 35 -7.686 -0.088 -3.683
252 HB3 PHE 35 1HB PHE 35 -6.069 0.306 -4.235
253 HD1 PHE 35 1HD PHE 35 -5.492 2.415 -2.035
254 HD2 PHE 35 2HD PHE 35 -7.102 -1.528 -1.953
255 HE1 PHE 35 1HE PHE 35 -4.676 2.121 0.266
256 HE2 PHE 35 2HE PHE 35 -6.286 -1.820 0.346
257 HZ PHE 35 HZ PHE 35 -5.071 0.008 1.460
258 H ARG 36 H ARG 36 -9.701 1.360 -3.578
259 HA ARG 36 HA ARG 36 -10.594 3.687 -2.221
260 HB2 ARG 36 2HB ARG 36 -11.713 0.922 -2.566
261 HB3 ARG 36 1HB ARG 36 -12.642 2.287 -1.964
262 HG2 ARG 36 2HG ARG 36 -11.407 2.010 -4.693
263 HG3 ARG 36 1HG ARG 36 -13.129 1.921 -4.306
264 HD2 ARG 36 2HD ARG 36 -13.182 4.209 -3.686
265 HD3 ARG 36 1HD ARG 36 -11.427 4.326 -3.722
266 HE ARG 36 HE ARG 36 -12.828 3.705 -6.214
267 HH11 ARG 36 1HH1 ARG 36 -11.039 5.970 -4.242
268 HH12 ARG 36 2HH1 ARG 36 -10.651 7.018 -5.570
269 HH21 ARG 36 1HH2 ARG 36 -12.339 5.095 -7.967
270 HH22 ARG 36 2HH2 ARG 36 -11.373 6.519 -7.695
271 H TYR 37 H TYR 37 -8.834 1.030 -1.303
272 HA TYR 37 HA TYR 37 -8.021 0.265 0.612
273 HB2 TYR 37 2HB TYR 37 -7.828 2.307 1.704
274 HB3 TYR 37 1HB TYR 37 -9.576 2.543 1.770
275 HD1 TYR 37 1HD TYR 37 -6.734 0.713 3.260
276 HD2 TYR 37 2HD TYR 37 -10.853 1.727 3.604
277 HE1 TYR 37 1HE TYR 37 -6.749 -0.143 5.568
278 HE2 TYR 37 2HE TYR 37 -10.878 0.877 5.907
279 HH TYR 37 HH TYR 37 -9.564 -0.760 7.280
280 H ARG 38 H ARG 38 -11.447 0.714 0.490
281 HA ARG 38 HA ARG 38 -11.996 -1.651 2.039
282 HB2 ARG 38 2HB ARG 38 -13.481 0.458 1.830
283 HB3 ARG 38 1HB ARG 38 -13.958 -0.196 0.272
284 HG2 ARG 38 2HG ARG 38 -14.217 -1.830 2.768
285 HG3 ARG 38 1HG ARG 38 -15.439 -0.642 2.325
286 HD2 ARG 38 2HD ARG 38 -14.575 -3.062 0.751
287 HD3 ARG 38 1HD ARG 38 -16.138 -2.783 1.518
288 HE ARG 38 HE ARG 38 -15.335 -0.877 -0.525
289 HH11 ARG 38 1HH1 ARG 38 -17.295 -3.638 0.351
290 HH12 ARG 38 2HH1 ARG 38 -18.265 -3.564 -1.095
291 HH21 ARG 38 1HH2 ARG 38 -16.564 -0.795 -2.435
292 HH22 ARG 38 2HH2 ARG 38 -17.825 -1.969 -2.692
293 H GLY 39 H GLY 39 -10.400 -2.699 0.576
294 HA2 GLY 39 2HA GLY 39 -10.866 -3.266 -2.121
295 HA3 GLY 39 1HA GLY 39 -9.921 -4.269 -1.032
296 H SER 40 H SER 40 -11.205 -5.735 0.401
297 HA SER 40 HA SER 40 -13.798 -6.561 -0.212
298 HB2 SER 40 2HB SER 40 -12.682 -7.091 -2.419
299 HB3 SER 40 1HB SER 40 -11.705 -8.272 -1.551
300 HG SER 40 HG SER 40 -13.771 -8.959 -2.646
301 H GLY 41 H GLY 41 -10.928 -8.520 0.022
302 HA2 GLY 41 2HA GLY 41 -11.238 -8.881 2.857
303 HA3 GLY 41 1HA GLY 41 -11.650 -10.295 1.898
304 H GLY 42 H GLY 42 -9.342 -9.420 3.781
305 HA2 GLY 42 2HA GLY 42 -7.338 -11.039 3.021
306 HA3 GLY 42 1HA GLY 42 -7.045 -9.624 2.018
307 H ASN 43 H ASN 43 -5.167 -8.947 2.955
308 HA ASN 43 HA ASN 43 -5.372 -7.473 5.391
309 HB2 ASN 43 2HB ASN 43 -5.115 -9.811 6.247
310 HB3 ASN 43 1HB ASN 43 -3.567 -9.903 5.419
311 HD21 ASN 43 1HD2 ASN 43 -5.339 -8.367 8.016
312 HD22 ASN 43 2HD2 ASN 43 -3.945 -7.838 8.901
313 H GLY 44 H GLY 44 -3.236 -6.410 5.909
314 HA2 GLY 44 2HA GLY 44 -0.931 -6.438 4.510
315 HA3 GLY 44 1HA GLY 44 -2.020 -5.587 3.421
316 H ASN 45 H ASN 45 -1.601 -3.481 3.524
317 HA ASN 45 HA ASN 45 -1.697 -2.130 6.085
318 HB2 ASN 45 2HB ASN 45 0.694 -2.778 5.870
319 HB3 ASN 45 1HB ASN 45 0.769 -1.913 4.338
320 HD21 ASN 45 1HD2 ASN 45 2.290 -0.443 4.980
321 HD22 ASN 45 2HD2 ASN 45 1.972 0.797 6.142
322 H ARG 46 H ARG 46 -2.285 0.020 5.891
323 HA ARG 46 HA ARG 46 -3.103 0.880 3.222
324 HB2 ARG 46 2HB ARG 46 -4.859 1.156 4.802
325 HB3 ARG 46 1HB ARG 46 -3.772 1.869 5.996
326 HG2 ARG 46 2HG ARG 46 -3.452 3.711 4.183
327 HG3 ARG 46 1HG ARG 46 -4.972 3.086 3.552
328 HD2 ARG 46 2HD ARG 46 -4.490 4.129 6.343
329 HD3 ARG 46 1HD ARG 46 -5.322 4.986 5.051
330 HE ARG 46 HE ARG 46 -6.409 2.429 5.981
331 HH11 ARG 46 1HH1 ARG 46 -6.655 5.913 5.721
332 HH12 ARG 46 2HH1 ARG 46 -8.306 5.973 6.278
333 HH21 ARG 46 1HH2 ARG 46 -8.591 2.509 6.734
334 HH22 ARG 46 2HH2 ARG 46 -9.397 4.042 6.864
335 H PHE 47 H PHE 47 -2.038 2.394 2.108
336 HA PHE 47 HA PHE 47 0.004 3.965 3.526
337 HB2 PHE 47 2HB PHE 47 -0.321 3.355 0.578
338 HB3 PHE 47 1HB PHE 47 0.873 4.480 1.227
339 HD1 PHE 47 1HD PHE 47 2.319 3.473 3.189
340 HD2 PHE 47 2HD PHE 47 0.363 1.193 0.182
341 HE1 PHE 47 1HE PHE 47 3.875 1.620 3.591
342 HE2 PHE 47 2HE PHE 47 1.920 -0.672 0.574
343 HZ PHE 47 HZ PHE 47 3.685 -0.459 2.282
344 H LYS 48 H LYS 48 -0.316 6.044 3.820
345 HA LYS 48 HA LYS 48 -2.918 7.105 3.214
346 HB2 LYS 48 2HB LYS 48 -0.511 8.206 4.684
347 HB3 LYS 48 1HB LYS 48 -1.982 9.132 4.460
348 HG2 LYS 48 2HG LYS 48 -1.720 8.010 6.693
349 HG3 LYS 48 1HG LYS 48 -3.227 7.670 5.845
350 HD2 LYS 48 2HD LYS 48 -2.651 5.484 5.424
351 HD3 LYS 48 1HD LYS 48 -0.922 5.816 5.484
352 HE2 LYS 48 2HE LYS 48 -2.654 5.991 7.929
353 HE3 LYS 48 1HE LYS 48 -1.957 4.462 7.393
354 HZ1 LYS 48 3HZ LYS 48 -0.442 5.325 8.928
355 HZ2 LYS 48 1HZ LYS 48 -0.541 6.899 8.299
356 HZ3 LYS 48 2HZ LYS 48 0.245 5.681 7.422
357 H THR 49 H THR 49 0.396 7.762 2.285
358 HA THR 49 HA THR 49 -0.593 9.131 -0.112
359 HB THR 49 HB THR 49 1.377 10.663 0.027
360 HG1 THR 49 1HG THR 49 2.009 10.791 2.483
361 HG21 THR 49 3HG2 THR 49 0.410 12.180 1.693
362 HG22 THR 49 1HG2 THR 49 -0.560 10.855 2.335
363 HG23 THR 49 2HG2 THR 49 -0.846 11.441 0.697
364 H LEU 50 H LEU 50 0.966 9.017 -1.915
365 HA LEU 50 HA LEU 50 2.315 6.474 -1.881
366 HB2 LEU 50 2HB LEU 50 1.733 6.502 -4.018
367 HB3 LEU 50 1HB LEU 50 1.188 8.148 -3.861
368 HG LEU 50 HG LEU 50 2.610 7.908 -5.777
369 HD11 LEU 50 1HD1 LEU 50 3.882 9.513 -3.593
370 HD12 LEU 50 2HD1 LEU 50 2.717 10.049 -4.803
371 HD13 LEU 50 3HD1 LEU 50 4.352 9.604 -5.289
372 HD21 LEU 50 3HD2 LEU 50 3.944 6.007 -5.198
373 HD22 LEU 50 1HD2 LEU 50 4.755 6.900 -3.907
374 HD23 LEU 50 2HD2 LEU 50 5.006 7.357 -5.594
375 H GLU 51 H GLU 51 3.107 9.778 -1.517
376 HA GLU 51 HA GLU 51 5.892 9.577 -1.931
377 HB2 GLU 51 2HB GLU 51 6.070 11.648 -0.611
378 HB3 GLU 51 1HB GLU 51 4.789 11.754 -1.810
379 HG2 GLU 51 2HG GLU 51 3.107 11.489 -0.172
380 HG3 GLU 51 1HG GLU 51 4.280 11.016 1.055
381 H ASP 52 H ASP 52 3.845 8.923 0.809
382 HA ASP 52 HA ASP 52 5.934 8.363 2.687
383 HB2 ASP 52 2HB ASP 52 3.564 8.910 3.312
384 HB3 ASP 52 1HB ASP 52 3.067 7.371 2.634
385 H CYS 53 H CYS 53 3.729 6.424 0.785
386 HA CYS 53 HA CYS 53 4.686 3.884 1.298
387 HB2 CYS 53 2HB CYS 53 2.624 4.163 0.153
388 HB3 CYS 53 1HB CYS 53 3.375 5.112 -1.125
389 H GLU 54 H GLU 54 5.722 6.149 -1.265
390 HA GLU 54 HA GLU 54 7.629 4.312 -2.334
391 HB2 GLU 54 2HB GLU 54 8.251 6.016 -3.847
392 HB3 GLU 54 1HB GLU 54 6.526 6.213 -3.617
393 HG2 GLU 54 2HG GLU 54 6.859 8.102 -2.211
394 HG3 GLU 54 1HG GLU 54 8.598 7.824 -2.164
395 H ALA 55 H ALA 55 7.676 6.822 0.066
396 HA ALA 55 HA ALA 55 10.375 7.368 0.136
397 HB1 ALA 55 1HB ALA 55 8.330 7.297 2.355
398 HB2 ALA 55 2HB ALA 55 8.954 8.705 1.489
399 HB3 ALA 55 3HB ALA 55 9.995 7.825 2.610
400 H THR 56 H THR 56 8.672 5.138 2.298
401 HA THR 56 HA THR 56 11.038 3.973 3.253
402 HB THR 56 HB THR 56 9.039 3.905 4.593
403 HG1 THR 56 1HG THR 56 10.100 2.212 5.296
404 HG21 THR 56 3HG2 THR 56 7.877 2.100 2.469
405 HG22 THR 56 1HG2 THR 56 7.355 3.744 2.843
406 HG23 THR 56 2HG2 THR 56 7.134 2.456 4.030
407 H CYS 57 H CYS 57 8.798 2.901 0.713
408 HA CYS 57 HA CYS 57 10.180 0.345 0.621
409 HB2 CYS 57 2HB CYS 57 7.674 0.561 0.540
410 HB3 CYS 57 1HB CYS 57 7.848 1.244 -1.073
411 H VAL 58 H VAL 58 9.612 3.119 -1.547
412 HA VAL 58 HA VAL 58 10.884 1.853 -3.757
413 HB VAL 58 HB VAL 58 9.936 4.673 -3.294
414 HG11 VAL 58 1HG1 VAL 58 10.630 5.278 -5.545
415 HG12 VAL 58 2HG1 VAL 58 11.386 3.700 -5.761
416 HG13 VAL 58 3HG1 VAL 58 12.040 4.835 -4.578
417 HG21 VAL 58 3HG2 VAL 58 8.487 4.110 -5.219
418 HG22 VAL 58 1HG2 VAL 58 8.260 3.021 -3.848
419 HG23 VAL 58 2HG2 VAL 58 9.195 2.495 -5.249
420 H THR 59 H THR 59 12.058 4.032 -1.179
421 HA THR 59 HA THR 59 14.580 4.410 -2.465
422 HB THR 59 HB THR 59 15.427 5.233 -0.357
423 HG1 THR 59 1HG THR 59 12.941 4.919 0.898
424 HG21 THR 59 3HG2 THR 59 12.646 6.267 -0.868
425 HG22 THR 59 1HG2 THR 59 14.071 6.694 -1.815
426 HG23 THR 59 2HG2 THR 59 13.975 7.147 -0.112
427 H ALA 60 H ALA 60 13.487 2.328 0.153
428 HA ALA 60 HA ALA 60 15.859 0.973 0.632
429 HB1 ALA 60 1HB ALA 60 14.518 -0.672 1.725
430 HB2 ALA 60 2HB ALA 60 13.080 -0.126 0.875
431 HB3 ALA 60 3HB ALA 60 13.860 0.923 2.061
432 H GLU 61 H GLU 61 13.294 0.251 -1.642
433 HA GLU 61 HA GLU 61 13.120 -1.094 -3.440
434 HB2 GLU 61 2HB GLU 61 16.121 -1.174 -3.235
435 HB3 GLU 61 1HB GLU 61 15.201 -1.821 -4.590
436 HG2 GLU 61 2HG GLU 61 14.244 0.524 -4.829
437 HG3 GLU 61 1HG GLU 61 15.525 1.032 -3.728
Start of MODEL 5
1 H2 PRO 1 1HT PRO 1 15.719 -10.489 2.259
2 H3 PRO 1 2HT PRO 1 15.020 -10.204 0.804
3 HA PRO 1 HA PRO 1 13.862 -8.498 1.468
4 HB2 PRO 1 2HB PRO 1 13.819 -8.796 4.346
5 HB3 PRO 1 1HB PRO 1 12.462 -8.665 3.218
6 HG2 PRO 1 2HG PRO 1 13.722 -11.063 4.346
7 HG3 PRO 1 1HG PRO 1 12.122 -10.874 3.611
8 HD2 PRO 1 2HD PRO 1 14.083 -12.241 2.378
9 HD3 PRO 1 1HD PRO 1 12.927 -11.253 1.462
10 H ALA 2 H ALA 2 14.534 -6.485 2.446
11 HA ALA 2 HA ALA 2 17.384 -6.563 3.216
12 HB1 ALA 2 1HB ALA 2 15.909 -4.351 1.792
13 HB2 ALA 2 2HB ALA 2 16.947 -5.547 1.017
14 HB3 ALA 2 3HB ALA 2 17.633 -4.394 2.164
15 H GLN 3 H GLN 3 14.517 -4.476 3.542
16 HA GLN 3 HA GLN 3 15.556 -3.338 5.989
17 HB2 GLN 3 2HB GLN 3 12.792 -2.710 5.287
18 HB3 GLN 3 1HB GLN 3 14.124 -1.633 5.644
19 HG2 GLN 3 2HG GLN 3 13.422 -1.178 3.442
20 HG3 GLN 3 1HG GLN 3 14.959 -2.025 3.325
21 HE21 GLN 3 1HE2 GLN 3 14.539 -2.639 1.217
22 HE22 GLN 3 2HE2 GLN 3 13.384 -3.873 0.826
23 H ASP 4 H ASP 4 12.359 -4.479 5.169
24 HA ASP 4 HA ASP 4 12.127 -6.227 7.437
25 HB2 ASP 4 2HB ASP 4 11.898 -3.911 8.407
26 HB3 ASP 4 1HB ASP 4 10.490 -3.682 7.396
27 H TYR 5 H TYR 5 9.267 -6.046 7.567
28 HA TYR 5 HA TYR 5 8.605 -7.316 5.024
29 HB2 TYR 5 2HB TYR 5 6.896 -6.956 7.501
30 HB3 TYR 5 1HB TYR 5 6.541 -8.001 6.126
31 HD1 TYR 5 2HD TYR 5 8.339 -9.822 5.600
32 HD2 TYR 5 1HD TYR 5 7.971 -7.854 9.353
33 HE1 TYR 5 2HE TYR 5 9.564 -11.659 6.677
34 HE2 TYR 5 1HE TYR 5 9.201 -9.686 10.441
35 HH TYR 5 HH TYR 5 10.991 -11.943 8.757
36 H ARG 6 H ARG 6 8.404 -4.314 6.520
37 HA ARG 6 HA ARG 6 5.920 -3.362 5.580
38 HB2 ARG 6 2HB ARG 6 6.733 -1.168 6.265
39 HB3 ARG 6 1HB ARG 6 7.037 -2.393 7.491
40 HG2 ARG 6 2HG ARG 6 9.358 -2.590 6.582
41 HG3 ARG 6 1HG ARG 6 8.990 -1.190 5.576
42 HD2 ARG 6 2HD ARG 6 10.164 -0.545 7.635
43 HD3 ARG 6 1HD ARG 6 8.539 0.143 7.565
44 HE ARG 6 HE ARG 6 8.424 -2.310 8.918
45 HH11 ARG 6 1HH1 ARG 6 9.711 0.916 9.368
46 HH12 ARG 6 2HH1 ARG 6 9.581 0.856 11.101
47 HH21 ARG 6 1HH2 ARG 6 8.236 -2.385 11.183
48 HH22 ARG 6 2HH2 ARG 6 8.723 -1.016 12.136
49 H CYS 7 H CYS 7 8.645 -4.035 3.764
50 HA CYS 7 HA CYS 7 7.836 -2.042 1.750
51 HB2 CYS 7 2HB CYS 7 10.182 -1.846 2.605
52 HB3 CYS 7 1HB CYS 7 10.507 -3.441 1.940
53 H GLN 8 H GLN 8 7.376 -5.128 2.562
54 HA GLN 8 HA GLN 8 7.033 -5.894 -0.251
55 HB2 GLN 8 2HB GLN 8 7.062 -8.316 0.739
56 HB3 GLN 8 1HB GLN 8 8.574 -7.490 0.400
57 HG2 GLN 8 2HG GLN 8 8.736 -6.865 2.774
58 HG3 GLN 8 1HG GLN 8 7.248 -7.755 3.088
59 HE21 GLN 8 1HE2 GLN 8 9.992 -8.122 4.103
60 HE22 GLN 8 2HE2 GLN 8 10.395 -9.762 3.738
61 H LEU 9 H LEU 9 5.838 -7.150 2.841
62 HA LEU 9 HA LEU 9 3.736 -7.405 3.690
63 HB2 LEU 9 2HB LEU 9 3.388 -4.848 2.131
64 HB3 LEU 9 1HB LEU 9 2.195 -5.467 3.255
65 HG LEU 9 HG LEU 9 5.021 -4.777 4.044
66 HD11 LEU 9 1HD1 LEU 9 2.514 -3.123 4.290
67 HD12 LEU 9 2HD1 LEU 9 3.883 -2.784 3.230
68 HD13 LEU 9 3HD1 LEU 9 4.087 -2.727 4.981
69 HD21 LEU 9 3HD2 LEU 9 3.920 -6.360 5.521
70 HD22 LEU 9 1HD2 LEU 9 2.516 -5.299 5.643
71 HD23 LEU 9 2HD2 LEU 9 4.068 -4.789 6.307
72 H SER 10 H SER 10 1.234 -6.772 2.760
73 HA SER 10 HA SER 10 0.958 -8.078 0.153
74 HB2 SER 10 2HB SER 10 -1.090 -9.184 1.031
75 HB3 SER 10 1HB SER 10 0.390 -9.758 1.791
76 HG SER 10 HG SER 10 -1.593 -8.033 2.849
77 H ARG 11 H ARG 11 -0.193 -6.866 -1.220
78 HA ARG 11 HA ARG 11 -1.632 -4.545 -0.265
79 HB2 ARG 11 2HB ARG 11 -2.125 -4.123 -2.637
80 HB3 ARG 11 1HB ARG 11 -0.403 -4.347 -2.367
81 HG2 ARG 11 2HG ARG 11 -1.501 -6.846 -2.903
82 HG3 ARG 11 1HG ARG 11 -2.148 -5.744 -4.105
83 HD2 ARG 11 2HD ARG 11 -0.104 -5.319 -5.025
84 HD3 ARG 11 1HD ARG 11 0.751 -5.569 -3.505
85 HE ARG 11 HE ARG 11 0.340 -8.001 -3.856
86 HH11 ARG 11 1HH1 ARG 11 0.362 -5.856 -6.659
87 HH12 ARG 11 2HH1 ARG 11 0.936 -7.105 -7.726
88 HH21 ARG 11 1HH2 ARG 11 1.061 -9.599 -5.278
89 HH22 ARG 11 2HH2 ARG 11 1.337 -9.212 -6.956
90 H ASN 12 H ASN 12 -3.824 -4.416 -1.866
91 HA ASN 12 HA ASN 12 -5.366 -6.832 -1.479
92 HB2 ASN 12 2HB ASN 12 -5.671 -5.757 0.649
93 HB3 ASN 12 1HB ASN 12 -6.088 -4.242 -0.108
94 HD21 ASN 12 1HD2 ASN 12 -7.120 -7.533 0.429
95 HD22 ASN 12 2HD2 ASN 12 -8.816 -7.232 0.245
96 H TYR 13 H TYR 13 -7.635 -6.430 -2.258
97 HA TYR 13 HA TYR 13 -7.412 -5.024 -4.843
98 HB2 TYR 13 2HB TYR 13 -7.284 -7.742 -4.407
99 HB3 TYR 13 1HB TYR 13 -8.924 -7.484 -4.973
100 HD1 TYR 13 2HD TYR 13 -5.373 -6.825 -5.835
101 HD2 TYR 13 1HD TYR 13 -9.367 -7.173 -7.252
102 HE1 TYR 13 2HE TYR 13 -4.557 -6.706 -8.148
103 HE2 TYR 13 1HE TYR 13 -8.559 -7.053 -9.573
104 HH TYR 13 HH TYR 13 -5.340 -7.451 -10.417
105 H GLY 14 H GLY 14 -9.207 -5.686 -2.123
106 HA2 GLY 14 2HA GLY 14 -11.836 -5.752 -2.872
107 HA3 GLY 14 1HA GLY 14 -11.268 -4.977 -1.403
108 H LYS 15 H LYS 15 -13.359 -4.406 -3.529
109 HA LYS 15 HA LYS 15 -12.617 -2.141 -5.023
110 HB2 LYS 15 2HB LYS 15 -15.407 -2.625 -4.146
111 HB3 LYS 15 1HB LYS 15 -14.839 -1.986 -5.673
112 HG2 LYS 15 2HG LYS 15 -14.410 -4.816 -4.789
113 HG3 LYS 15 1HG LYS 15 -15.782 -4.294 -5.768
114 HD2 LYS 15 2HD LYS 15 -12.895 -3.894 -6.546
115 HD3 LYS 15 1HD LYS 15 -13.888 -5.253 -7.082
116 HE2 LYS 15 2HE LYS 15 -14.468 -2.334 -7.579
117 HE3 LYS 15 1HE LYS 15 -13.817 -3.472 -8.757
118 HZ1 LYS 15 3HZ LYS 15 -16.480 -3.654 -7.450
119 HZ2 LYS 15 1HZ LYS 15 -15.857 -4.771 -8.564
120 HZ3 LYS 15 2HZ LYS 15 -16.191 -3.179 -9.049
121 H GLY 16 H GLY 16 -14.825 -2.354 -2.316
122 HA2 GLY 16 2HA GLY 16 -13.937 -0.605 -0.523
123 HA3 GLY 16 1HA GLY 16 -14.453 0.496 -1.790
124 H SER 17 H SER 17 -15.438 0.190 0.925
125 HA SER 17 HA SER 17 -18.260 -0.246 0.269
126 HB2 SER 17 2HB SER 17 -18.443 -0.910 2.754
127 HB3 SER 17 1HB SER 17 -17.767 -2.089 1.632
128 HG SER 17 HG SER 17 -16.560 -0.710 3.706
129 H GLY 18 H GLY 18 -16.003 1.281 2.488
130 HA2 GLY 18 2HA GLY 18 -17.817 3.587 2.708
131 HA3 GLY 18 1HA GLY 18 -16.451 3.259 3.771
132 H SER 19 H SER 19 -14.751 2.529 1.545
133 HA SER 19 HA SER 19 -13.163 3.360 0.212
134 HB2 SER 19 2HB SER 19 -13.863 5.026 -1.525
135 HB3 SER 19 1HB SER 19 -14.776 3.522 -1.484
136 HG SER 19 HG SER 19 -15.875 5.460 0.097
137 H PHE 20 H PHE 20 -11.506 4.326 0.910
138 HA PHE 20 HA PHE 20 -11.690 7.026 2.028
139 HB2 PHE 20 2HB PHE 20 -9.995 4.637 2.662
140 HB3 PHE 20 1HB PHE 20 -9.462 6.246 3.089
141 HD1 PHE 20 2HD PHE 20 -12.097 3.734 3.623
142 HD2 PHE 20 1HD PHE 20 -10.365 7.378 4.970
143 HE1 PHE 20 2HE PHE 20 -13.435 3.606 5.682
144 HE2 PHE 20 1HE PHE 20 -11.700 7.258 7.032
145 HZ PHE 20 HZ PHE 20 -13.249 5.366 7.380
146 H THR 21 H THR 21 -9.916 4.857 0.020
147 HA THR 21 HA THR 21 -8.445 5.097 -1.704
148 HB THR 21 HB THR 21 -8.621 8.070 -1.626
149 HG1 THR 21 1HG THR 21 -10.736 7.820 -1.847
150 HG21 THR 21 3HG2 THR 21 -8.676 6.348 -4.062
151 HG22 THR 21 1HG2 THR 21 -7.161 6.492 -3.162
152 HG23 THR 21 2HG2 THR 21 -7.941 7.933 -3.825
153 H ASN 22 H ASN 22 -6.836 4.365 -0.591
154 HA ASN 22 HA ASN 22 -4.876 6.302 0.446
155 HB2 ASN 22 2HB ASN 22 -5.625 3.579 1.566
156 HB3 ASN 22 1HB ASN 22 -4.212 4.504 2.073
157 HD21 ASN 22 1HD2 ASN 22 -5.475 7.068 1.932
158 HD22 ASN 22 2HD2 ASN 22 -6.602 7.166 3.239
159 H TYR 23 H TYR 23 -2.656 4.937 0.479
160 HA TYR 23 HA TYR 23 -2.542 3.870 -2.254
161 HB2 TYR 23 2HB TYR 23 -0.350 5.069 -0.530
162 HB3 TYR 23 1HB TYR 23 -0.094 4.383 -2.126
163 HD1 TYR 23 1HD TYR 23 -2.257 6.922 -0.450
164 HD2 TYR 23 2HD TYR 23 -0.067 5.826 -3.923
165 HE1 TYR 23 1HE TYR 23 -2.776 9.107 -1.460
166 HE2 TYR 23 2HE TYR 23 -0.575 8.006 -4.942
167 HH TYR 23 HH TYR 23 -1.819 10.611 -3.182
168 H TYR 24 H TYR 24 -0.904 2.189 -2.637
169 HA TYR 24 HA TYR 24 -0.050 0.586 -0.374
170 HB2 TYR 24 2HB TYR 24 -1.127 -1.418 -1.000
171 HB3 TYR 24 1HB TYR 24 -2.389 -0.198 -1.091
172 HD1 TYR 24 2HD TYR 24 -3.113 0.642 -3.359
173 HD2 TYR 24 1HD TYR 24 -0.482 -2.674 -2.900
174 HE1 TYR 24 2HE TYR 24 -3.601 -0.078 -5.665
175 HE2 TYR 24 1HE TYR 24 -0.959 -3.400 -5.140
176 HH TYR 24 HH TYR 24 -2.563 -3.167 -6.875
177 H TYR 25 H TYR 25 1.831 -0.532 -0.867
178 HA TYR 25 HA TYR 25 3.046 0.184 -3.384
179 HB2 TYR 25 2HB TYR 25 4.398 0.324 -1.352
180 HB3 TYR 25 1HB TYR 25 4.147 -1.386 -1.061
181 HD1 TYR 25 1HD TYR 25 5.270 -3.074 -2.480
182 HD2 TYR 25 2HD TYR 25 6.017 1.088 -2.950
183 HE1 TYR 25 1HE TYR 25 7.300 -3.588 -3.778
184 HE2 TYR 25 2HE TYR 25 8.037 0.586 -4.247
185 HH TYR 25 HH TYR 25 8.722 -2.370 -5.571
186 H ASP 26 H ASP 26 3.056 -0.985 -5.107
187 HA ASP 26 HA ASP 26 2.139 -3.777 -4.943
188 HB2 ASP 26 2HB ASP 26 0.602 -2.180 -6.060
189 HB3 ASP 26 1HB ASP 26 1.875 -1.805 -7.215
190 H LYS 27 H LYS 27 3.732 -5.192 -5.304
191 HA LYS 27 HA LYS 27 6.186 -4.366 -6.487
192 HB2 LYS 27 2HB LYS 27 6.081 -7.201 -6.239
193 HB3 LYS 27 1HB LYS 27 7.010 -6.040 -5.301
194 HG2 LYS 27 2HG LYS 27 4.634 -5.685 -4.175
195 HG3 LYS 27 1HG LYS 27 4.455 -7.366 -4.678
196 HD2 LYS 27 2HD LYS 27 5.325 -7.406 -2.470
197 HD3 LYS 27 1HD LYS 27 6.667 -7.814 -3.543
198 HE2 LYS 27 2HE LYS 27 6.257 -4.958 -2.878
199 HE3 LYS 27 1HE LYS 27 6.873 -6.002 -1.592
200 HZ1 LYS 27 3HZ LYS 27 8.727 -5.065 -2.731
201 HZ2 LYS 27 1HZ LYS 27 8.111 -5.498 -4.253
202 HZ3 LYS 27 2HZ LYS 27 8.645 -6.698 -3.179
203 H ALA 28 H ALA 28 3.417 -5.013 -8.040
204 HA ALA 28 HA ALA 28 4.685 -6.513 -10.220
205 HB1 ALA 28 1HB ALA 28 1.835 -5.565 -9.903
206 HB2 ALA 28 2HB ALA 28 2.429 -7.203 -9.627
207 HB3 ALA 28 3HB ALA 28 2.451 -6.518 -11.252
208 H THR 29 H THR 29 4.082 -3.389 -9.155
209 HA THR 29 HA THR 29 4.858 -2.319 -11.787
210 HB THR 29 HB THR 29 2.559 -1.644 -11.163
211 HG1 THR 29 1HG THR 29 3.967 -0.213 -12.367
212 HG21 THR 29 3HG2 THR 29 3.862 -0.218 -8.840
213 HG22 THR 29 1HG2 THR 29 2.877 -1.679 -8.712
214 HG23 THR 29 2HG2 THR 29 2.155 -0.171 -9.279
215 H SER 30 H SER 30 5.831 -2.981 -8.748
216 HA SER 30 HA SER 30 7.570 -2.452 -7.422
217 HB2 SER 30 2HB SER 30 8.611 -1.285 -10.001
218 HB3 SER 30 1HB SER 30 9.594 -1.588 -8.567
219 HG SER 30 HG SER 30 9.267 -3.765 -8.803
220 H SER 31 H SER 31 5.413 -0.650 -7.307
221 HA SER 31 HA SER 31 6.665 1.510 -5.967
222 HB2 SER 31 2HB SER 31 5.549 3.299 -7.439
223 HB3 SER 31 1HB SER 31 7.024 2.547 -8.047
224 HG SER 31 HG SER 31 5.739 1.216 -9.364
225 H CYS 32 H CYS 32 4.639 3.353 -5.874
226 HA CYS 32 HA CYS 32 2.700 1.770 -4.336
227 HB2 CYS 32 2HB CYS 32 3.383 4.717 -4.163
228 HB3 CYS 32 1HB CYS 32 2.324 3.831 -3.062
229 H LYS 33 H LYS 33 0.637 1.668 -4.964
230 HA LYS 33 HA LYS 33 -0.399 3.721 -6.820
231 HB2 LYS 33 2HB LYS 33 -0.169 1.376 -7.756
232 HB3 LYS 33 1HB LYS 33 -1.387 0.870 -6.609
233 HG2 LYS 33 2HG LYS 33 -2.333 1.228 -8.817
234 HG3 LYS 33 1HG LYS 33 -2.997 2.370 -7.648
235 HD2 LYS 33 2HD LYS 33 -0.615 3.227 -9.202
236 HD3 LYS 33 1HD LYS 33 -2.150 3.104 -10.053
237 HE2 LYS 33 2HE LYS 33 -1.975 4.589 -7.463
238 HE3 LYS 33 1HE LYS 33 -1.491 5.363 -8.977
239 HZ1 LYS 33 3HZ LYS 33 -4.167 4.255 -8.299
240 HZ2 LYS 33 1HZ LYS 33 -3.730 4.775 -9.854
241 HZ3 LYS 33 2HZ LYS 33 -3.765 5.881 -8.570
242 H THR 34 H THR 34 -3.082 3.170 -6.615
243 HA THR 34 HA THR 34 -3.538 3.563 -3.731
244 HB THR 34 HB THR 34 -5.577 4.930 -4.488
245 HG1 THR 34 1HG THR 34 -5.557 5.690 -6.510
246 HG21 THR 34 3HG2 THR 34 -2.802 6.059 -4.721
247 HG22 THR 34 1HG2 THR 34 -3.696 5.787 -3.223
248 HG23 THR 34 2HG2 THR 34 -4.281 6.970 -4.399
249 H PHE 35 H PHE 35 -5.855 3.394 -3.119
250 HA PHE 35 HA PHE 35 -7.664 1.761 -4.538
251 HB2 PHE 35 2HB PHE 35 -7.459 -0.334 -3.479
252 HB3 PHE 35 1HB PHE 35 -5.803 0.091 -3.869
253 HD1 PHE 35 1HD PHE 35 -5.139 1.931 -1.597
254 HD2 PHE 35 2HD PHE 35 -7.295 -1.748 -1.703
255 HE1 PHE 35 1HE PHE 35 -4.536 1.492 0.752
256 HE2 PHE 35 2HE PHE 35 -6.687 -2.178 0.636
257 HZ PHE 35 HZ PHE 35 -5.306 -0.557 1.868
258 H ARG 36 H ARG 36 -9.561 1.454 -3.320
259 HA ARG 36 HA ARG 36 -10.194 3.763 -1.875
260 HB2 ARG 36 2HB ARG 36 -11.545 1.142 -2.305
261 HB3 ARG 36 1HB ARG 36 -12.334 2.479 -1.478
262 HG2 ARG 36 2HG ARG 36 -11.355 2.464 -4.329
263 HG3 ARG 36 1HG ARG 36 -13.036 2.386 -3.799
264 HD2 ARG 36 2HD ARG 36 -12.691 4.613 -2.694
265 HD3 ARG 36 1HD ARG 36 -11.119 4.691 -3.493
266 HE ARG 36 HE ARG 36 -13.393 4.206 -5.231
267 HH11 ARG 36 1HH1 ARG 36 -11.241 6.625 -3.854
268 HH12 ARG 36 2HH1 ARG 36 -11.580 7.801 -5.093
269 HH21 ARG 36 1HH2 ARG 36 -13.835 5.753 -6.837
270 HH22 ARG 36 2HH2 ARG 36 -13.054 7.309 -6.782
271 H TYR 37 H TYR 37 -8.847 0.816 -0.910
272 HA TYR 37 HA TYR 37 -8.179 -0.033 1.053
273 HB2 TYR 37 2HB TYR 37 -7.475 2.108 1.822
274 HB3 TYR 37 1HB TYR 37 -9.134 2.628 2.099
275 HD1 TYR 37 1HD TYR 37 -6.710 0.029 3.253
276 HD2 TYR 37 2HD TYR 37 -9.924 2.624 4.280
277 HE1 TYR 37 1HE TYR 37 -6.501 -0.654 5.605
278 HE2 TYR 37 2HE TYR 37 -9.722 1.947 6.635
279 HH TYR 37 HH TYR 37 -7.054 0.226 7.837
280 H ARG 38 H ARG 38 -11.288 0.700 0.300
281 HA ARG 38 HA ARG 38 -13.290 -0.253 0.649
282 HB2 ARG 38 2HB ARG 38 -11.657 -2.068 2.386
283 HB3 ARG 38 1HB ARG 38 -13.405 -2.219 2.295
284 HG2 ARG 38 2HG ARG 38 -13.161 -2.509 -0.178
285 HG3 ARG 38 1HG ARG 38 -11.413 -2.557 0.065
286 HD2 ARG 38 2HD ARG 38 -12.373 -4.810 -0.065
287 HD3 ARG 38 1HD ARG 38 -11.647 -4.498 1.511
288 HE ARG 38 HE ARG 38 -14.061 -3.956 2.191
289 HH11 ARG 38 1HH1 ARG 38 -13.179 -6.389 -0.178
290 HH12 ARG 38 2HH1 ARG 38 -14.591 -7.358 0.112
291 HH21 ARG 38 1HH2 ARG 38 -15.894 -5.209 2.565
292 HH22 ARG 38 2HH2 ARG 38 -16.159 -6.674 1.668
293 H GLY 39 H GLY 39 -11.525 -0.047 3.705
294 HA2 GLY 39 2HA GLY 39 -12.186 1.766 5.255
295 HA3 GLY 39 1HA GLY 39 -13.853 1.387 4.834
296 H SER 40 H SER 40 -14.424 -0.975 5.201
297 HA SER 40 HA SER 40 -13.434 -1.756 7.848
298 HB2 SER 40 2HB SER 40 -15.932 -1.378 7.384
299 HB3 SER 40 1HB SER 40 -15.869 -2.870 6.449
300 HG SER 40 HG SER 40 -15.729 -4.005 8.229
301 H GLY 41 H GLY 41 -11.552 -2.311 6.248
302 HA2 GLY 41 2HA GLY 41 -11.204 -5.081 6.173
303 HA3 GLY 41 1HA GLY 41 -11.712 -4.566 4.569
304 H GLY 42 H GLY 42 -9.739 -5.036 3.579
305 HA2 GLY 42 2HA GLY 42 -7.791 -4.073 2.657
306 HA3 GLY 42 1HA GLY 42 -7.675 -3.025 4.063
307 H ASN 43 H ASN 43 -6.794 -6.058 2.677
308 HA ASN 43 HA ASN 43 -5.713 -7.065 5.193
309 HB2 ASN 43 2HB ASN 43 -5.871 -8.335 2.453
310 HB3 ASN 43 1HB ASN 43 -5.217 -9.123 3.884
311 HD21 ASN 43 1HD2 ASN 43 -6.601 -9.749 5.529
312 HD22 ASN 43 2HD2 ASN 43 -8.311 -9.879 5.296
313 H GLY 44 H GLY 44 -4.266 -5.070 5.009
314 HA2 GLY 44 2HA GLY 44 -1.634 -5.936 4.552
315 HA3 GLY 44 1HA GLY 44 -2.138 -4.940 3.190
316 H ASN 45 H ASN 45 -0.419 -3.485 3.910
317 HA ASN 45 HA ASN 45 -1.096 -1.992 6.335
318 HB2 ASN 45 2HB ASN 45 1.256 -2.817 6.029
319 HB3 ASN 45 1HB ASN 45 1.397 -1.729 4.651
320 HD21 ASN 45 1HD2 ASN 45 3.065 -0.590 5.669
321 HD22 ASN 45 2HD2 ASN 45 2.767 0.490 6.988
322 H ARG 46 H ARG 46 -2.392 -0.376 6.055
323 HA ARG 46 HA ARG 46 -2.934 0.851 3.560
324 HB2 ARG 46 2HB ARG 46 -4.717 0.834 5.048
325 HB3 ARG 46 1HB ARG 46 -3.720 1.330 6.409
326 HG2 ARG 46 2HG ARG 46 -3.528 3.577 5.265
327 HG3 ARG 46 1HG ARG 46 -4.802 3.017 4.176
328 HD2 ARG 46 2HD ARG 46 -6.243 2.568 6.122
329 HD3 ARG 46 1HD ARG 46 -4.981 3.178 7.186
330 HE ARG 46 HE ARG 46 -6.230 4.890 5.139
331 HH11 ARG 46 1HH1 ARG 46 -5.248 4.282 8.454
332 HH12 ARG 46 2HH1 ARG 46 -5.836 5.809 9.037
333 HH21 ARG 46 1HH2 ARG 46 -6.997 6.906 5.919
334 HH22 ARG 46 2HH2 ARG 46 -6.816 7.307 7.599
335 H PHE 47 H PHE 47 -1.964 2.475 2.577
336 HA PHE 47 HA PHE 47 -0.018 4.088 4.098
337 HB2 PHE 47 2HB PHE 47 -0.114 3.358 1.165
338 HB3 PHE 47 1HB PHE 47 0.958 4.596 1.818
339 HD1 PHE 47 1HD PHE 47 2.357 3.779 3.916
340 HD2 PHE 47 2HD PHE 47 0.732 1.242 0.911
341 HE1 PHE 47 1HE PHE 47 4.008 2.057 4.483
342 HE2 PHE 47 2HE PHE 47 2.387 -0.488 1.473
343 HZ PHE 47 HZ PHE 47 4.032 -0.083 3.262
344 H LYS 48 H LYS 48 -0.182 6.275 4.053
345 HA LYS 48 HA LYS 48 -2.773 7.335 3.473
346 HB2 LYS 48 2HB LYS 48 -0.542 9.228 3.914
347 HB3 LYS 48 1HB LYS 48 -2.103 9.148 4.691
348 HG2 LYS 48 2HG LYS 48 0.363 7.571 5.351
349 HG3 LYS 48 1HG LYS 48 -0.440 8.784 6.344
350 HD2 LYS 48 2HD LYS 48 -2.446 7.226 6.339
351 HD3 LYS 48 1HD LYS 48 -1.368 6.006 5.671
352 HE2 LYS 48 2HE LYS 48 -1.081 7.424 8.316
353 HE3 LYS 48 1HE LYS 48 -1.460 5.721 8.057
354 HZ1 LYS 48 3HZ LYS 48 0.847 5.942 8.624
355 HZ2 LYS 48 1HZ LYS 48 1.097 7.089 7.406
356 HZ3 LYS 48 2HZ LYS 48 0.748 5.482 6.999
357 H THR 49 H THR 49 0.450 8.075 2.317
358 HA THR 49 HA THR 49 -0.677 8.837 -0.283
359 HB THR 49 HB THR 49 1.122 10.602 -0.393
360 HG1 THR 49 1HG THR 49 1.592 11.325 1.934
361 HG21 THR 49 3HG2 THR 49 -0.176 12.250 0.887
362 HG22 THR 49 1HG2 THR 49 -1.042 10.936 1.683
363 HG23 THR 49 2HG2 THR 49 -1.218 11.184 -0.054
364 H LEU 50 H LEU 50 1.133 8.918 -2.001
365 HA LEU 50 HA LEU 50 2.535 6.425 -1.784
366 HB2 LEU 50 2HB LEU 50 2.160 6.431 -3.969
367 HB3 LEU 50 1HB LEU 50 1.608 8.082 -3.897
368 HG LEU 50 HG LEU 50 3.244 7.764 -5.644
369 HD11 LEU 50 1HD1 LEU 50 3.142 9.936 -4.554
370 HD12 LEU 50 2HD1 LEU 50 4.757 9.570 -5.166
371 HD13 LEU 50 3HD1 LEU 50 4.415 9.433 -3.441
372 HD21 LEU 50 3HD2 LEU 50 4.533 5.936 -4.879
373 HD22 LEU 50 1HD2 LEU 50 5.098 6.831 -3.464
374 HD23 LEU 50 2HD2 LEU 50 5.624 7.306 -5.081
375 H GLU 51 H GLU 51 3.252 9.771 -1.461
376 HA GLU 51 HA GLU 51 6.067 9.594 -1.538
377 HB2 GLU 51 2HB GLU 51 5.964 11.722 -0.163
378 HB3 GLU 51 1HB GLU 51 5.133 11.756 -1.712
379 HG2 GLU 51 2HG GLU 51 3.007 11.376 -0.592
380 HG3 GLU 51 1HG GLU 51 3.832 11.321 0.964
381 H ASP 52 H ASP 52 3.735 9.058 0.978
382 HA ASP 52 HA ASP 52 5.585 8.597 3.113
383 HB2 ASP 52 2HB ASP 52 3.291 9.153 3.614
384 HB3 ASP 52 1HB ASP 52 2.693 7.825 2.647
385 H CYS 53 H CYS 53 3.587 6.508 1.138
386 HA CYS 53 HA CYS 53 4.548 4.021 1.833
387 HB2 CYS 53 2HB CYS 53 2.598 4.229 0.476
388 HB3 CYS 53 1HB CYS 53 3.481 5.086 -0.782
389 H GLU 54 H GLU 54 5.802 6.201 -0.681
390 HA GLU 54 HA GLU 54 7.817 4.361 -1.523
391 HB2 GLU 54 2HB GLU 54 8.563 6.058 -3.006
392 HB3 GLU 54 1HB GLU 54 6.813 6.202 -2.968
393 HG2 GLU 54 2HG GLU 54 6.969 8.108 -1.498
394 HG3 GLU 54 1HG GLU 54 8.715 7.917 -1.384
395 H ALA 55 H ALA 55 7.610 6.909 0.819
396 HA ALA 55 HA ALA 55 10.300 7.477 1.116
397 HB1 ALA 55 1HB ALA 55 8.024 7.491 3.087
398 HB2 ALA 55 2HB ALA 55 8.804 8.863 2.295
399 HB3 ALA 55 3HB ALA 55 9.661 7.963 3.547
400 H THR 56 H THR 56 8.387 5.318 3.159
401 HA THR 56 HA THR 56 10.576 4.132 4.409
402 HB THR 56 HB THR 56 8.431 4.015 5.447
403 HG1 THR 56 1HG THR 56 8.408 1.875 6.036
404 HG21 THR 56 3HG2 THR 56 7.510 2.328 3.118
405 HG22 THR 56 1HG2 THR 56 7.021 3.990 3.451
406 HG23 THR 56 2HG2 THR 56 6.568 2.699 4.563
407 H CYS 57 H CYS 57 8.662 2.910 1.656
408 HA CYS 57 HA CYS 57 10.226 0.471 1.665
409 HB2 CYS 57 2HB CYS 57 7.781 0.439 1.273
410 HB3 CYS 57 1HB CYS 57 8.020 1.351 -0.210
411 H VAL 58 H VAL 58 9.548 3.024 -0.755
412 HA VAL 58 HA VAL 58 11.205 1.914 -2.711
413 HB VAL 58 HB VAL 58 10.109 4.699 -2.385
414 HG11 VAL 58 1HG1 VAL 58 11.668 3.625 -4.736
415 HG12 VAL 58 2HG1 VAL 58 12.225 4.869 -3.614
416 HG13 VAL 58 3HG1 VAL 58 10.838 5.180 -4.664
417 HG21 VAL 58 3HG2 VAL 58 8.492 2.963 -2.899
418 HG22 VAL 58 1HG2 VAL 58 9.469 2.421 -4.262
419 HG23 VAL 58 2HG2 VAL 58 8.711 4.011 -4.301
420 H THR 59 H THR 59 12.038 4.185 -0.065
421 HA THR 59 HA THR 59 14.605 4.661 -1.276
422 HB THR 59 HB THR 59 15.266 5.806 0.721
423 HG1 THR 59 1HG THR 59 12.767 5.255 1.915
424 HG21 THR 59 3HG2 THR 59 12.419 6.535 0.081
425 HG22 THR 59 1HG2 THR 59 13.805 6.941 -0.929
426 HG23 THR 59 2HG2 THR 59 13.678 7.606 0.701
427 H ALA 60 H ALA 60 13.457 2.774 1.457
428 HA ALA 60 HA ALA 60 16.067 1.795 2.091
429 HB1 ALA 60 1HB ALA 60 13.401 0.796 3.063
430 HB2 ALA 60 2HB ALA 60 14.326 2.113 3.783
431 HB3 ALA 60 3HB ALA 60 14.976 0.474 3.787
432 H GLU 61 H GLU 61 14.138 0.998 -0.442
433 HA GLU 61 HA GLU 61 13.879 -1.628 -0.837
434 HB2 GLU 61 2HB GLU 61 15.068 0.398 -2.706
435 HB3 GLU 61 1HB GLU 61 14.743 -1.257 -3.206
436 HG2 GLU 61 2HG GLU 61 12.577 0.337 -1.938
437 HG3 GLU 61 1HG GLU 61 13.012 0.631 -3.613
Start of MODEL 6
1 H2 PRO 1 1HT PRO 1 17.350 -6.547 5.318
2 H3 PRO 1 2HT PRO 1 17.918 -5.781 6.646
3 HA PRO 1 HA PRO 1 18.769 -4.093 5.570
4 HB2 PRO 1 2HB PRO 1 18.898 -5.067 2.845
5 HB3 PRO 1 1HB PRO 1 20.187 -4.399 3.856
6 HG2 PRO 1 2HG PRO 1 19.433 -7.205 3.407
7 HG3 PRO 1 1HG PRO 1 20.960 -6.531 4.002
8 HD2 PRO 1 2HD PRO 1 19.320 -7.885 5.634
9 HD3 PRO 1 1HD PRO 1 20.216 -6.466 6.214
10 H ALA 2 H ALA 2 16.437 -3.834 6.153
11 HA ALA 2 HA ALA 2 15.071 -2.603 3.998
12 HB1 ALA 2 1HB ALA 2 14.433 -4.904 3.448
13 HB2 ALA 2 2HB ALA 2 13.036 -3.968 3.981
14 HB3 ALA 2 3HB ALA 2 13.796 -5.120 5.078
15 H GLN 3 H GLN 3 12.767 -1.902 4.849
16 HA GLN 3 HA GLN 3 13.159 -0.758 7.451
17 HB2 GLN 3 2HB GLN 3 10.415 -0.578 6.633
18 HB3 GLN 3 1HB GLN 3 11.595 0.705 6.804
19 HG2 GLN 3 2HG GLN 3 10.722 0.786 4.602
20 HG3 GLN 3 1HG GLN 3 12.380 0.203 4.501
21 HE21 GLN 3 1HE2 GLN 3 12.101 -0.782 2.564
22 HE22 GLN 3 2HE2 GLN 3 11.163 -2.222 2.343
23 H ASP 4 H ASP 4 10.332 -2.429 6.302
24 HA ASP 4 HA ASP 4 10.365 -4.379 8.441
25 HB2 ASP 4 2HB ASP 4 9.330 -2.200 9.349
26 HB3 ASP 4 1HB ASP 4 8.009 -2.499 8.238
27 H TYR 5 H TYR 5 7.437 -4.768 8.066
28 HA TYR 5 HA TYR 5 7.546 -5.976 5.405
29 HB2 TYR 5 2HB TYR 5 5.607 -6.252 7.699
30 HB3 TYR 5 1HB TYR 5 5.271 -6.910 6.095
31 HD1 TYR 5 1HD TYR 5 7.688 -7.047 8.906
32 HD2 TYR 5 2HD TYR 5 6.149 -9.007 5.463
33 HE1 TYR 5 1HE TYR 5 8.961 -9.065 9.499
34 HE2 TYR 5 2HE TYR 5 7.414 -11.035 6.044
35 HH TYR 5 HH TYR 5 8.853 -11.521 9.074
36 H ARG 6 H ARG 6 6.625 -3.071 6.742
37 HA ARG 6 HA ARG 6 4.126 -2.596 5.603
38 HB2 ARG 6 2HB ARG 6 4.570 -0.215 5.911
39 HB3 ARG 6 1HB ARG 6 5.004 -1.155 7.329
40 HG2 ARG 6 2HG ARG 6 7.346 -1.032 6.718
41 HG3 ARG 6 1HG ARG 6 6.916 -0.150 5.252
42 HD2 ARG 6 2HD ARG 6 6.307 0.801 8.051
43 HD3 ARG 6 1HD ARG 6 7.718 1.305 7.123
44 HE ARG 6 HE ARG 6 5.859 2.033 5.439
45 HH11 ARG 6 1HH1 ARG 6 5.708 2.268 8.929
46 HH12 ARG 6 2HH1 ARG 6 4.787 3.736 8.915
47 HH21 ARG 6 1HH2 ARG 6 4.631 3.989 5.431
48 HH22 ARG 6 2HH2 ARG 6 4.168 4.708 6.936
49 H CYS 7 H CYS 7 7.226 -2.641 4.082
50 HA CYS 7 HA CYS 7 6.299 -1.216 1.730
51 HB2 CYS 7 2HB CYS 7 8.615 -0.912 2.369
52 HB3 CYS 7 1HB CYS 7 8.888 -2.651 2.315
53 H GLN 8 H GLN 8 6.984 -4.514 2.714
54 HA GLN 8 HA GLN 8 6.565 -5.505 0.016
55 HB2 GLN 8 2HB GLN 8 7.155 -7.724 1.065
56 HB3 GLN 8 1HB GLN 8 8.409 -6.494 1.129
57 HG2 GLN 8 2HG GLN 8 7.690 -5.992 3.460
58 HG3 GLN 8 1HG GLN 8 6.607 -7.382 3.362
59 HE21 GLN 8 1HE2 GLN 8 9.904 -6.321 3.522
60 HE22 GLN 8 2HE2 GLN 8 10.604 -7.863 3.883
61 H LEU 9 H LEU 9 4.908 -5.514 3.117
62 HA LEU 9 HA LEU 9 2.787 -7.227 2.439
63 HB2 LEU 9 2HB LEU 9 2.831 -4.771 4.179
64 HB3 LEU 9 1HB LEU 9 1.435 -5.818 4.024
65 HG LEU 9 HG LEU 9 4.118 -6.666 5.100
66 HD11 LEU 9 1HD1 LEU 9 1.526 -6.086 6.523
67 HD12 LEU 9 2HD1 LEU 9 2.940 -5.033 6.511
68 HD13 LEU 9 3HD1 LEU 9 3.033 -6.629 7.264
69 HD21 LEU 9 3HD2 LEU 9 2.955 -8.689 5.771
70 HD22 LEU 9 1HD2 LEU 9 2.838 -8.469 4.026
71 HD23 LEU 9 2HD2 LEU 9 1.459 -8.089 5.057
72 H SER 10 H SER 10 2.708 -3.762 2.624
73 HA SER 10 HA SER 10 1.731 -2.103 1.449
74 HB2 SER 10 2HB SER 10 1.889 -2.214 -1.004
75 HB3 SER 10 1HB SER 10 3.393 -2.649 -0.204
76 HG SER 10 HG SER 10 2.408 -4.922 -0.457
77 H ARG 11 H ARG 11 0.518 -4.312 -0.910
78 HA ARG 11 HA ARG 11 -2.207 -3.650 -0.205
79 HB2 ARG 11 2HB ARG 11 -2.799 -4.901 -2.245
80 HB3 ARG 11 1HB ARG 11 -1.612 -3.639 -2.556
81 HG2 ARG 11 2HG ARG 11 0.025 -5.637 -2.061
82 HG3 ARG 11 1HG ARG 11 -1.339 -6.565 -2.666
83 HD2 ARG 11 2HD ARG 11 -1.365 -5.066 -4.657
84 HD3 ARG 11 1HD ARG 11 0.118 -4.337 -4.049
85 HE ARG 11 HE ARG 11 0.806 -6.922 -4.112
86 HH11 ARG 11 1HH1 ARG 11 -0.767 -4.924 -6.528
87 HH12 ARG 11 2HH1 ARG 11 -0.169 -5.848 -7.865
88 HH21 ARG 11 1HH2 ARG 11 1.614 -8.130 -5.880
89 HH22 ARG 11 2HH2 ARG 11 1.178 -7.680 -7.505
90 H ASN 12 H ASN 12 -3.263 -6.221 -1.163
91 HA ASN 12 HA ASN 12 -2.153 -8.267 0.510
92 HB2 ASN 12 2HB ASN 12 -3.473 -6.981 2.157
93 HB3 ASN 12 1HB ASN 12 -4.912 -7.220 1.180
94 HD21 ASN 12 1HD2 ASN 12 -2.588 -8.737 3.269
95 HD22 ASN 12 2HD2 ASN 12 -3.511 -10.168 3.589
96 H TYR 13 H TYR 13 -5.548 -8.224 -0.103
97 HA TYR 13 HA TYR 13 -5.788 -9.277 -2.641
98 HB2 TYR 13 2HB TYR 13 -4.338 -11.084 -1.507
99 HB3 TYR 13 1HB TYR 13 -5.786 -11.494 -0.605
100 HD1 TYR 13 2HD TYR 13 -4.400 -11.265 -4.035
101 HD2 TYR 13 1HD TYR 13 -7.472 -12.838 -1.550
102 HE1 TYR 13 2HE TYR 13 -5.160 -12.684 -5.889
103 HE2 TYR 13 1HE TYR 13 -8.242 -14.269 -3.398
104 HH TYR 13 HH TYR 13 -8.137 -14.356 -5.830
105 H GLY 14 H GLY 14 -6.698 -9.733 0.688
106 HA2 GLY 14 2HA GLY 14 -9.461 -10.135 0.356
107 HA3 GLY 14 1HA GLY 14 -8.690 -9.507 1.806
108 H LYS 15 H LYS 15 -11.063 -8.462 1.370
109 HA LYS 15 HA LYS 15 -11.153 -6.498 -0.688
110 HB2 LYS 15 2HB LYS 15 -13.117 -6.449 1.503
111 HB3 LYS 15 1HB LYS 15 -13.365 -6.240 -0.220
112 HG2 LYS 15 2HG LYS 15 -12.684 -8.848 1.087
113 HG3 LYS 15 1HG LYS 15 -14.326 -8.335 0.706
114 HD2 LYS 15 2HD LYS 15 -13.875 -8.367 -1.629
115 HD3 LYS 15 1HD LYS 15 -12.140 -8.538 -1.356
116 HE2 LYS 15 2HE LYS 15 -13.237 -10.654 -2.046
117 HE3 LYS 15 1HE LYS 15 -12.441 -10.757 -0.476
118 HZ1 LYS 15 3HZ LYS 15 -15.352 -10.314 -0.875
119 HZ2 LYS 15 1HZ LYS 15 -14.561 -10.518 0.609
120 HZ3 LYS 15 2HZ LYS 15 -14.639 -11.805 -0.492
121 H GLY 16 H GLY 16 -12.136 -5.820 2.571
122 HA2 GLY 16 2HA GLY 16 -10.308 -4.230 3.663
123 HA3 GLY 16 1HA GLY 16 -10.906 -3.189 2.378
124 H SER 17 H SER 17 -11.893 -1.657 3.641
125 HA SER 17 HA SER 17 -14.019 -2.586 5.434
126 HB2 SER 17 2HB SER 17 -13.871 -0.224 6.356
127 HB3 SER 17 1HB SER 17 -12.463 -1.247 6.644
128 HG SER 17 HG SER 17 -11.504 0.488 5.840
129 H GLY 18 H GLY 18 -13.733 0.602 4.064
130 HA2 GLY 18 2HA GLY 18 -16.211 0.136 2.518
131 HA3 GLY 18 1HA GLY 18 -15.955 1.596 3.464
132 H SER 19 H SER 19 -14.596 3.191 2.702
133 HA SER 19 HA SER 19 -12.811 2.800 0.551
134 HB2 SER 19 2HB SER 19 -13.945 4.358 -1.041
135 HB3 SER 19 1HB SER 19 -14.707 2.778 -0.855
136 HG SER 19 HG SER 19 -15.796 4.342 0.948
137 H PHE 20 H PHE 20 -11.220 3.998 1.104
138 HA PHE 20 HA PHE 20 -11.671 6.634 2.316
139 HB2 PHE 20 2HB PHE 20 -9.684 4.478 2.741
140 HB3 PHE 20 1HB PHE 20 -9.105 6.126 2.871
141 HD1 PHE 20 1HD PHE 20 -10.102 7.641 4.577
142 HD2 PHE 20 2HD PHE 20 -10.993 3.486 4.426
143 HE1 PHE 20 1HE PHE 20 -10.963 7.748 6.878
144 HE2 PHE 20 2HE PHE 20 -11.857 3.580 6.729
145 HZ PHE 20 HZ PHE 20 -11.803 5.705 7.968
146 H THR 21 H THR 21 -10.067 4.837 -0.101
147 HA THR 21 HA THR 21 -8.794 5.304 -1.910
148 HB THR 21 HB THR 21 -9.364 8.221 -1.657
149 HG1 THR 21 1HG THR 21 -11.401 7.904 -2.227
150 HG21 THR 21 3HG2 THR 21 -9.436 6.810 -4.232
151 HG22 THR 21 1HG2 THR 21 -7.880 6.742 -3.393
152 HG23 THR 21 2HG2 THR 21 -8.614 8.306 -3.785
153 H ASN 22 H ASN 22 -7.063 4.709 -0.708
154 HA ASN 22 HA ASN 22 -5.200 6.898 -0.115
155 HB2 ASN 22 2HB ASN 22 -5.453 4.250 1.354
156 HB3 ASN 22 1HB ASN 22 -4.106 5.362 1.548
157 HD21 ASN 22 1HD2 ASN 22 -5.950 7.693 1.331
158 HD22 ASN 22 2HD2 ASN 22 -6.742 7.781 2.865
159 H TYR 23 H TYR 23 -2.864 5.717 -0.139
160 HA TYR 23 HA TYR 23 -2.833 4.418 -2.749
161 HB2 TYR 23 2HB TYR 23 -0.554 5.584 -1.124
162 HB3 TYR 23 1HB TYR 23 -0.401 4.888 -2.733
163 HD1 TYR 23 1HD TYR 23 -2.231 7.556 -0.908
164 HD2 TYR 23 2HD TYR 23 -0.517 6.286 -4.577
165 HE1 TYR 23 1HE TYR 23 -2.639 9.792 -1.861
166 HE2 TYR 23 2HE TYR 23 -0.924 8.507 -5.551
167 HH TYR 23 HH TYR 23 -1.711 11.217 -3.694
168 H TYR 24 H TYR 24 -1.417 2.579 -3.065
169 HA TYR 24 HA TYR 24 -0.294 1.263 -0.728
170 HB2 TYR 24 2HB TYR 24 -1.316 -0.837 -1.087
171 HB3 TYR 24 1HB TYR 24 -2.636 0.319 -1.171
172 HD1 TYR 24 2HD TYR 24 -3.630 0.887 -3.396
173 HD2 TYR 24 1HD TYR 24 -0.744 -2.213 -2.960
174 HE1 TYR 24 2HE TYR 24 -4.307 -0.063 -5.564
175 HE2 TYR 24 1HE TYR 24 -1.409 -3.158 -5.081
176 HH TYR 24 HH TYR 24 -3.322 -1.513 -7.334
177 H TYR 25 H TYR 25 1.512 0.017 -1.281
178 HA TYR 25 HA TYR 25 2.693 0.705 -3.779
179 HB2 TYR 25 2HB TYR 25 4.137 0.548 -1.869
180 HB3 TYR 25 1HB TYR 25 3.612 -1.093 -1.551
181 HD1 TYR 25 2HD TYR 25 5.658 1.034 -3.724
182 HD2 TYR 25 1HD TYR 25 4.543 -2.957 -2.768
183 HE1 TYR 25 2HE TYR 25 7.524 0.194 -5.084
184 HE2 TYR 25 1HE TYR 25 6.405 -3.810 -4.129
185 HH TYR 25 HH TYR 25 7.797 -2.949 -6.114
186 H ASP 26 H ASP 26 2.464 -0.274 -5.606
187 HA ASP 26 HA ASP 26 1.382 -3.000 -5.656
188 HB2 ASP 26 2HB ASP 26 -0.004 -1.401 -6.822
189 HB3 ASP 26 1HB ASP 26 1.382 -0.787 -7.712
190 H LYS 27 H LYS 27 2.956 -4.461 -5.797
191 HA LYS 27 HA LYS 27 5.476 -3.870 -6.950
192 HB2 LYS 27 2HB LYS 27 5.428 -6.602 -6.613
193 HB3 LYS 27 1HB LYS 27 5.988 -5.417 -5.436
194 HG2 LYS 27 2HG LYS 27 3.585 -5.252 -4.707
195 HG3 LYS 27 1HG LYS 27 3.303 -6.728 -5.629
196 HD2 LYS 27 2HD LYS 27 3.694 -7.369 -3.358
197 HD3 LYS 27 1HD LYS 27 5.132 -7.804 -4.282
198 HE2 LYS 27 2HE LYS 27 5.023 -5.140 -2.958
199 HE3 LYS 27 1HE LYS 27 5.314 -6.569 -1.961
200 HZ1 LYS 27 3HZ LYS 27 7.197 -7.111 -3.455
201 HZ2 LYS 27 1HZ LYS 27 7.404 -5.640 -2.629
202 HZ3 LYS 27 2HZ LYS 27 6.955 -5.642 -4.262
203 H ALA 28 H ALA 28 2.870 -4.099 -8.660
204 HA ALA 28 HA ALA 28 4.002 -5.869 -10.715
205 HB1 ALA 28 1HB ALA 28 1.303 -4.518 -10.580
206 HB2 ALA 28 2HB ALA 28 1.635 -6.218 -10.243
207 HB3 ALA 28 3HB ALA 28 1.850 -5.584 -11.875
208 H THR 29 H THR 29 3.595 -2.631 -9.762
209 HA THR 29 HA THR 29 4.724 -1.718 -12.330
210 HB THR 29 HB THR 29 2.482 -0.765 -11.889
211 HG1 THR 29 1HG THR 29 3.251 0.924 -12.878
212 HG21 THR 29 3HG2 THR 29 3.768 0.521 -9.476
213 HG22 THR 29 1HG2 THR 29 2.586 -0.788 -9.424
214 HG23 THR 29 2HG2 THR 29 2.126 0.794 -10.057
215 H SER 30 H SER 30 5.253 -2.292 -9.106
216 HA SER 30 HA SER 30 7.019 -2.013 -7.726
217 HB2 SER 30 2HB SER 30 8.339 -2.432 -9.827
218 HB3 SER 30 1HB SER 30 8.432 -0.687 -10.055
219 HG SER 30 HG SER 30 9.401 -0.659 -7.889
220 H SER 31 H SER 31 4.919 0.001 -7.987
221 HA SER 31 HA SER 31 6.252 2.112 -6.512
222 HB2 SER 31 2HB SER 31 4.544 2.863 -8.894
223 HB3 SER 31 1HB SER 31 5.477 3.937 -7.848
224 HG SER 31 HG SER 31 7.222 2.247 -8.753
225 H CYS 32 H CYS 32 4.324 3.862 -6.062
226 HA CYS 32 HA CYS 32 2.318 2.188 -4.725
227 HB2 CYS 32 2HB CYS 32 3.164 5.038 -4.160
228 HB3 CYS 32 1HB CYS 32 2.092 4.053 -3.168
229 H LYS 33 H LYS 33 0.253 2.261 -5.340
230 HA LYS 33 HA LYS 33 -0.763 4.620 -6.787
231 HB2 LYS 33 2HB LYS 33 -0.396 2.950 -8.456
232 HB3 LYS 33 1HB LYS 33 -1.173 1.709 -7.502
233 HG2 LYS 33 2HG LYS 33 -2.744 2.199 -9.118
234 HG3 LYS 33 1HG LYS 33 -3.278 3.191 -7.763
235 HD2 LYS 33 2HD LYS 33 -1.530 4.237 -9.979
236 HD3 LYS 33 1HD LYS 33 -3.284 4.311 -10.032
237 HE2 LYS 33 2HE LYS 33 -3.168 5.558 -7.858
238 HE3 LYS 33 1HE LYS 33 -1.425 5.646 -8.082
239 HZ1 LYS 33 3HZ LYS 33 -3.442 6.708 -9.990
240 HZ2 LYS 33 1HZ LYS 33 -1.759 6.840 -10.135
241 HZ3 LYS 33 2HZ LYS 33 -2.563 7.645 -8.878
242 H THR 34 H THR 34 -3.245 4.561 -6.775
243 HA THR 34 HA THR 34 -3.876 4.342 -3.946
244 HB THR 34 HB THR 34 -5.999 5.592 -4.757
245 HG1 THR 34 1HG THR 34 -5.764 6.635 -6.699
246 HG21 THR 34 3HG2 THR 34 -3.304 6.929 -4.717
247 HG22 THR 34 1HG2 THR 34 -4.271 6.503 -3.302
248 HG23 THR 34 2HG2 THR 34 -4.864 7.710 -4.447
249 H PHE 35 H PHE 35 -6.125 3.901 -3.332
250 HA PHE 35 HA PHE 35 -7.874 2.316 -4.888
251 HB2 PHE 35 2HB PHE 35 -7.587 0.151 -3.934
252 HB3 PHE 35 1HB PHE 35 -6.005 0.654 -4.499
253 HD1 PHE 35 1HD PHE 35 -5.568 2.527 -1.959
254 HD2 PHE 35 2HD PHE 35 -6.693 -1.545 -2.534
255 HE1 PHE 35 1HE PHE 35 -4.644 1.953 0.247
256 HE2 PHE 35 2HE PHE 35 -5.763 -2.117 -0.331
257 HZ PHE 35 HZ PHE 35 -4.738 -0.364 1.062
258 H ARG 36 H ARG 36 -9.640 1.497 -3.556
259 HA ARG 36 HA ARG 36 -10.529 3.531 -1.774
260 HB2 ARG 36 2HB ARG 36 -11.528 0.850 -2.641
261 HB3 ARG 36 1HB ARG 36 -12.451 1.881 -1.557
262 HG2 ARG 36 2HG ARG 36 -11.642 2.524 -4.386
263 HG3 ARG 36 1HG ARG 36 -13.268 2.125 -3.822
264 HD2 ARG 36 2HD ARG 36 -13.156 4.130 -2.335
265 HD3 ARG 36 1HD ARG 36 -11.626 4.550 -3.104
266 HE ARG 36 HE ARG 36 -13.269 4.332 -5.219
267 HH11 ARG 36 1HH1 ARG 36 -13.583 6.025 -2.179
268 HH12 ARG 36 2HH1 ARG 36 -14.598 7.276 -2.816
269 HH21 ARG 36 1HH2 ARG 36 -14.610 5.989 -6.077
270 HH22 ARG 36 2HH2 ARG 36 -15.194 7.253 -5.034
271 H TYR 37 H TYR 37 -8.669 0.797 -1.449
272 HA TYR 37 HA TYR 37 -7.747 -0.312 0.251
273 HB2 TYR 37 2HB TYR 37 -7.835 1.675 1.685
274 HB3 TYR 37 1HB TYR 37 -9.511 1.308 2.101
275 HD1 TYR 37 1HD TYR 37 -6.021 0.082 2.424
276 HD2 TYR 37 2HD TYR 37 -10.018 -0.182 3.860
277 HE1 TYR 37 1HE TYR 37 -5.236 -1.239 4.343
278 HE2 TYR 37 2HE TYR 37 -9.247 -1.506 5.781
279 HH TYR 37 HH TYR 37 -6.087 -1.695 6.731
280 H ARG 38 H ARG 38 -10.912 -0.260 -0.601
281 HA ARG 38 HA ARG 38 -11.382 -2.890 0.596
282 HB2 ARG 38 2HB ARG 38 -13.031 -1.017 1.148
283 HB3 ARG 38 1HB ARG 38 -13.510 -1.072 -0.542
284 HG2 ARG 38 2HG ARG 38 -13.569 -3.567 1.102
285 HG3 ARG 38 1HG ARG 38 -14.870 -2.384 1.248
286 HD2 ARG 38 2HD ARG 38 -13.982 -3.769 -1.286
287 HD3 ARG 38 1HD ARG 38 -15.449 -4.113 -0.366
288 HE ARG 38 HE ARG 38 -15.788 -1.530 -0.891
289 HH11 ARG 38 1HH1 ARG 38 -14.810 -4.173 -2.987
290 HH12 ARG 38 2HH1 ARG 38 -15.450 -3.434 -4.428
291 HH21 ARG 38 1HH2 ARG 38 -16.612 -0.552 -2.769
292 HH22 ARG 38 2HH2 ARG 38 -16.476 -1.360 -4.302
293 H GLY 39 H GLY 39 -9.977 -3.626 -1.029
294 HA2 GLY 39 2HA GLY 39 -11.431 -4.617 -3.301
295 HA3 GLY 39 1HA GLY 39 -10.145 -3.501 -3.746
296 H SER 40 H SER 40 -7.972 -4.033 -3.138
297 HA SER 40 HA SER 40 -7.554 -6.877 -2.585
298 HB2 SER 40 2HB SER 40 -5.419 -6.420 -3.999
299 HB3 SER 40 1HB SER 40 -6.952 -6.649 -4.836
300 HG SER 40 HG SER 40 -5.805 -4.807 -5.593
301 H GLY 41 H GLY 41 -7.690 -5.087 -0.492
302 HA2 GLY 41 2HA GLY 41 -4.987 -5.185 0.536
303 HA3 GLY 41 1HA GLY 41 -5.586 -3.571 0.237
304 H GLY 42 H GLY 42 -7.676 -6.122 1.267
305 HA2 GLY 42 2HA GLY 42 -8.836 -4.785 3.391
306 HA3 GLY 42 1HA GLY 42 -8.802 -6.532 3.231
307 H ASN 43 H ASN 43 -6.146 -7.080 3.537
308 HA ASN 43 HA ASN 43 -5.540 -6.054 6.225
309 HB2 ASN 43 2HB ASN 43 -5.049 -8.761 4.993
310 HB3 ASN 43 1HB ASN 43 -4.139 -8.213 6.396
311 HD21 ASN 43 1HD2 ASN 43 -6.292 -6.759 7.594
312 HD22 ASN 43 2HD2 ASN 43 -7.429 -7.921 8.193
313 H GLY 44 H GLY 44 -4.817 -4.496 4.178
314 HA2 GLY 44 2HA GLY 44 -2.002 -5.064 3.603
315 HA3 GLY 44 1HA GLY 44 -2.983 -3.821 2.838
316 H ASN 45 H ASN 45 -0.879 -2.656 3.398
317 HA ASN 45 HA ASN 45 -0.663 -1.892 6.193
318 HB2 ASN 45 2HB ASN 45 1.344 -2.282 4.697
319 HB3 ASN 45 1HB ASN 45 0.916 -0.787 3.869
320 HD21 ASN 45 1HD2 ASN 45 1.130 1.190 4.975
321 HD22 ASN 45 2HD2 ASN 45 2.072 1.323 6.415
322 H ARG 46 H ARG 46 -1.686 -0.526 3.132
323 HA ARG 46 HA ARG 46 -2.904 1.294 2.570
324 HB2 ARG 46 2HB ARG 46 -4.467 0.629 4.282
325 HB3 ARG 46 1HB ARG 46 -3.481 1.380 5.533
326 HG2 ARG 46 2HG ARG 46 -3.908 3.575 4.491
327 HG3 ARG 46 1HG ARG 46 -4.970 2.782 3.325
328 HD2 ARG 46 2HD ARG 46 -6.254 3.751 5.167
329 HD3 ARG 46 1HD ARG 46 -6.390 1.992 5.149
330 HE ARG 46 HE ARG 46 -4.324 3.091 6.878
331 HH11 ARG 46 1HH1 ARG 46 -7.611 1.907 6.625
332 HH12 ARG 46 2HH1 ARG 46 -7.761 1.567 8.317
333 HH21 ARG 46 1HH2 ARG 46 -4.506 2.616 9.116
334 HH22 ARG 46 2HH2 ARG 46 -5.998 1.971 9.732
335 H PHE 47 H PHE 47 -2.025 3.080 1.856
336 HA PHE 47 HA PHE 47 -0.209 4.592 3.629
337 HB2 PHE 47 2HB PHE 47 0.064 3.886 0.708
338 HB3 PHE 47 1HB PHE 47 1.003 5.171 1.458
339 HD1 PHE 47 1HD PHE 47 2.300 4.501 3.597
340 HD2 PHE 47 2HD PHE 47 0.898 1.740 0.684
341 HE1 PHE 47 1HE PHE 47 3.959 2.870 4.353
342 HE2 PHE 47 2HE PHE 47 2.565 0.092 1.439
343 HZ PHE 47 HZ PHE 47 4.104 0.659 3.275
344 H LYS 48 H LYS 48 -1.326 6.370 4.147
345 HA LYS 48 HA LYS 48 -3.349 7.648 2.889
346 HB2 LYS 48 2HB LYS 48 -1.103 9.000 4.381
347 HB3 LYS 48 1HB LYS 48 -2.709 9.657 4.116
348 HG2 LYS 48 2HG LYS 48 -1.863 7.418 5.911
349 HG3 LYS 48 1HG LYS 48 -2.811 8.859 6.292
350 HD2 LYS 48 2HD LYS 48 -4.448 7.753 4.513
351 HD3 LYS 48 1HD LYS 48 -3.648 6.291 5.068
352 HE2 LYS 48 2HE LYS 48 -4.307 6.671 7.318
353 HE3 LYS 48 1HE LYS 48 -4.879 8.295 6.940
354 HZ1 LYS 48 3HZ LYS 48 -6.605 7.308 5.542
355 HZ2 LYS 48 1HZ LYS 48 -6.723 6.776 7.148
356 HZ3 LYS 48 2HZ LYS 48 -6.073 5.756 5.965
357 H THR 49 H THR 49 0.086 8.363 2.397
358 HA THR 49 HA THR 49 -0.648 9.532 -0.203
359 HB THR 49 HB THR 49 1.304 11.036 0.015
360 HG1 THR 49 1HG THR 49 2.065 11.252 2.301
361 HG21 THR 49 3HG2 THR 49 0.313 12.584 1.649
362 HG22 THR 49 1HG2 THR 49 -0.723 11.283 2.235
363 HG23 THR 49 2HG2 THR 49 -0.907 11.881 0.586
364 H LEU 50 H LEU 50 0.995 9.326 -1.869
365 HA LEU 50 HA LEU 50 2.351 6.789 -1.667
366 HB2 LEU 50 2HB LEU 50 1.742 6.694 -3.800
367 HB3 LEU 50 1HB LEU 50 1.228 8.352 -3.757
368 HG LEU 50 HG LEU 50 2.653 7.926 -5.650
369 HD11 LEU 50 1HD1 LEU 50 3.924 9.711 -3.609
370 HD12 LEU 50 2HD1 LEU 50 2.732 10.140 -4.835
371 HD13 LEU 50 3HD1 LEU 50 4.363 9.673 -5.318
372 HD21 LEU 50 3HD2 LEU 50 3.980 6.080 -4.753
373 HD22 LEU 50 1HD2 LEU 50 4.870 7.214 -3.733
374 HD23 LEU 50 2HD2 LEU 50 4.982 7.328 -5.490
375 H GLU 51 H GLU 51 3.058 10.133 -1.471
376 HA GLU 51 HA GLU 51 5.861 9.940 -1.778
377 HB2 GLU 51 2HB GLU 51 5.983 12.088 -0.594
378 HB3 GLU 51 1HB GLU 51 4.744 12.100 -1.839
379 HG2 GLU 51 2HG GLU 51 3.034 11.760 -0.144
380 HG3 GLU 51 1HG GLU 51 4.273 11.752 1.110
381 H ASP 52 H ASP 52 3.720 9.367 0.909
382 HA ASP 52 HA ASP 52 5.772 8.865 2.849
383 HB2 ASP 52 2HB ASP 52 3.319 9.379 3.342
384 HB3 ASP 52 1HB ASP 52 2.961 7.740 2.824
385 H CYS 53 H CYS 53 3.678 6.892 0.846
386 HA CYS 53 HA CYS 53 4.612 4.364 1.508
387 HB2 CYS 53 2HB CYS 53 2.587 4.729 0.212
388 HB3 CYS 53 1HB CYS 53 3.523 5.404 -1.115
389 H GLU 54 H GLU 54 5.691 6.535 -1.100
390 HA GLU 54 HA GLU 54 7.660 4.760 -2.091
391 HB2 GLU 54 2HB GLU 54 8.403 6.568 -3.465
392 HB3 GLU 54 1HB GLU 54 6.654 6.685 -3.381
393 HG2 GLU 54 2HG GLU 54 6.849 8.456 -1.721
394 HG3 GLU 54 1HG GLU 54 8.603 8.310 -1.767
395 H ALA 55 H ALA 55 7.645 7.228 0.367
396 HA ALA 55 HA ALA 55 10.362 7.611 0.639
397 HB1 ALA 55 1HB ALA 55 8.141 7.665 2.674
398 HB2 ALA 55 2HB ALA 55 8.947 9.028 1.895
399 HB3 ALA 55 3HB ALA 55 9.811 8.059 3.088
400 H THR 56 H THR 56 8.404 5.505 2.705
401 HA THR 56 HA THR 56 10.641 4.113 3.698
402 HB THR 56 HB THR 56 8.634 4.272 5.032
403 HG1 THR 56 1HG THR 56 9.528 2.460 5.728
404 HG21 THR 56 3HG2 THR 56 7.303 2.603 2.901
405 HG22 THR 56 1HG2 THR 56 6.960 4.292 3.270
406 HG23 THR 56 2HG2 THR 56 6.588 3.038 4.453
407 H CYS 57 H CYS 57 8.329 3.301 1.111
408 HA CYS 57 HA CYS 57 9.369 0.586 1.052
409 HB2 CYS 57 2HB CYS 57 6.922 1.048 0.914
410 HB3 CYS 57 1HB CYS 57 7.192 1.782 -0.663
411 H VAL 58 H VAL 58 9.297 3.434 -1.059
412 HA VAL 58 HA VAL 58 10.461 1.983 -3.238
413 HB VAL 58 HB VAL 58 9.782 4.889 -2.854
414 HG11 VAL 58 1HG1 VAL 58 11.127 3.698 -5.283
415 HG12 VAL 58 2HG1 VAL 58 11.894 4.791 -4.129
416 HG13 VAL 58 3HG1 VAL 58 10.542 5.355 -5.116
417 HG21 VAL 58 3HG2 VAL 58 7.939 3.405 -3.372
418 HG22 VAL 58 1HG2 VAL 58 8.821 2.740 -4.747
419 HG23 VAL 58 2HG2 VAL 58 8.284 4.419 -4.775
420 H THR 59 H THR 59 11.750 3.990 -0.596
421 HA THR 59 HA THR 59 14.313 4.055 -1.940
422 HB THR 59 HB THR 59 15.185 5.276 -0.085
423 HG1 THR 59 1HG THR 59 12.759 5.306 1.299
424 HG21 THR 59 3HG2 THR 59 12.401 6.269 -0.673
425 HG22 THR 59 1HG2 THR 59 13.780 6.440 -1.760
426 HG23 THR 59 2HG2 THR 59 13.796 7.235 -0.187
427 H ALA 60 H ALA 60 13.114 2.670 1.086
428 HA ALA 60 HA ALA 60 15.547 1.247 1.556
429 HB1 ALA 60 1HB ALA 60 12.890 0.859 2.910
430 HB2 ALA 60 2HB ALA 60 14.093 2.060 3.376
431 HB3 ALA 60 3HB ALA 60 14.467 0.340 3.505
432 H GLU 61 H GLU 61 12.435 0.431 0.225
433 HA GLU 61 HA GLU 61 11.591 -1.381 -0.826
434 HB2 GLU 61 2HB GLU 61 14.473 -1.683 -1.646
435 HB3 GLU 61 1HB GLU 61 13.105 -2.449 -2.444
436 HG2 GLU 61 2HG GLU 61 12.208 -0.118 -2.838
437 HG3 GLU 61 1HG GLU 61 13.783 0.472 -2.312
Start of MODEL 7
1 H2 PRO 1 1HT PRO 1 21.404 -6.480 2.326
2 H3 PRO 1 2HT PRO 1 21.950 -7.379 1.070
3 HA PRO 1 HA PRO 1 20.089 -8.341 0.750
4 HB2 PRO 1 2HB PRO 1 18.821 -8.807 3.209
5 HB3 PRO 1 1HB PRO 1 19.731 -9.984 2.245
6 HG2 PRO 1 2HG PRO 1 20.618 -8.328 4.552
7 HG3 PRO 1 1HG PRO 1 21.103 -9.970 4.094
8 HD2 PRO 1 2HD PRO 1 22.737 -7.905 3.680
9 HD3 PRO 1 1HD PRO 1 22.609 -9.208 2.485
10 H ALA 2 H ALA 2 17.601 -8.010 1.512
11 HA ALA 2 HA ALA 2 17.217 -5.160 1.293
12 HB1 ALA 2 1HB ALA 2 15.180 -7.381 1.440
13 HB2 ALA 2 2HB ALA 2 15.878 -6.721 -0.039
14 HB3 ALA 2 3HB ALA 2 14.865 -5.704 0.986
15 H GLN 3 H GLN 3 15.018 -4.497 2.624
16 HA GLN 3 HA GLN 3 15.905 -4.438 5.332
17 HB2 GLN 3 2HB GLN 3 13.575 -3.162 5.482
18 HB3 GLN 3 1HB GLN 3 15.035 -2.400 4.892
19 HG2 GLN 3 2HG GLN 3 13.156 -1.830 3.488
20 HG3 GLN 3 1HG GLN 3 14.302 -2.814 2.586
21 HE21 GLN 3 1HE2 GLN 3 13.599 -4.667 1.658
22 HE22 GLN 3 2HE2 GLN 3 12.008 -5.318 1.862
23 H ASP 4 H ASP 4 12.509 -4.580 4.913
24 HA ASP 4 HA ASP 4 12.349 -7.235 6.161
25 HB2 ASP 4 2HB ASP 4 12.218 -5.324 7.845
26 HB3 ASP 4 1HB ASP 4 10.720 -4.855 7.066
27 H TYR 5 H TYR 5 9.366 -6.578 6.478
28 HA TYR 5 HA TYR 5 8.576 -7.347 3.802
29 HB2 TYR 5 2HB TYR 5 7.060 -6.935 6.367
30 HB3 TYR 5 1HB TYR 5 6.236 -7.235 4.840
31 HD1 TYR 5 2HD TYR 5 7.499 -9.328 3.524
32 HD2 TYR 5 1HD TYR 5 7.197 -8.769 7.730
33 HE1 TYR 5 2HE TYR 5 7.797 -11.743 3.861
34 HE2 TYR 5 1HE TYR 5 7.500 -11.183 8.080
35 HH TYR 5 HH TYR 5 7.111 -13.306 6.715
36 H ARG 6 H ARG 6 9.068 -4.430 5.375
37 HA ARG 6 HA ARG 6 6.751 -3.011 4.596
38 HB2 ARG 6 2HB ARG 6 7.977 -1.026 5.374
39 HB3 ARG 6 1HB ARG 6 7.959 -2.347 6.536
40 HG2 ARG 6 2HG ARG 6 10.218 -2.995 5.617
41 HG3 ARG 6 1HG ARG 6 10.198 -1.439 4.793
42 HD2 ARG 6 2HD ARG 6 11.394 -1.271 6.916
43 HD3 ARG 6 1HD ARG 6 9.911 -0.313 6.963
44 HE ARG 6 HE ARG 6 9.301 -2.851 7.950
45 HH11 ARG 6 1HH1 ARG 6 11.284 -0.107 8.863
46 HH12 ARG 6 2HH1 ARG 6 11.145 -0.424 10.571
47 HH21 ARG 6 1HH2 ARG 6 9.158 -3.289 10.163
48 HH22 ARG 6 2HH2 ARG 6 9.957 -2.258 11.314
49 H CYS 7 H CYS 7 9.225 -4.021 2.627
50 HA CYS 7 HA CYS 7 8.467 -1.932 0.695
51 HB2 CYS 7 2HB CYS 7 10.856 -1.792 1.492
52 HB3 CYS 7 1HB CYS 7 11.132 -3.342 0.708
53 H GLN 8 H GLN 8 7.536 -4.750 1.376
54 HA GLN 8 HA GLN 8 7.241 -5.511 -1.429
55 HB2 GLN 8 2HB GLN 8 7.261 -7.969 -0.605
56 HB3 GLN 8 1HB GLN 8 8.793 -7.156 -0.886
57 HG2 GLN 8 2HG GLN 8 8.918 -6.690 1.554
58 HG3 GLN 8 1HG GLN 8 7.465 -7.666 1.766
59 HE21 GLN 8 1HE2 GLN 8 10.225 -8.027 2.754
60 HE22 GLN 8 2HE2 GLN 8 10.699 -9.606 2.217
61 H LEU 9 H LEU 9 6.179 -6.307 1.856
62 HA LEU 9 HA LEU 9 4.212 -5.979 2.899
63 HB2 LEU 9 2HB LEU 9 3.812 -4.132 0.558
64 HB3 LEU 9 1HB LEU 9 2.752 -4.184 1.957
65 HG LEU 9 HG LEU 9 5.705 -3.580 2.112
66 HD11 LEU 9 1HD1 LEU 9 5.051 -1.248 2.398
67 HD12 LEU 9 2HD1 LEU 9 3.367 -1.677 2.098
68 HD13 LEU 9 3HD1 LEU 9 4.565 -1.860 0.817
69 HD21 LEU 9 3HD2 LEU 9 4.801 -4.461 4.175
70 HD22 LEU 9 1HD2 LEU 9 3.450 -3.322 4.104
71 HD23 LEU 9 2HD2 LEU 9 5.092 -2.728 4.350
72 H SER 10 H SER 10 1.694 -5.529 2.185
73 HA SER 10 HA SER 10 0.858 -7.709 0.442
74 HB2 SER 10 2HB SER 10 -0.612 -8.578 2.221
75 HB3 SER 10 1HB SER 10 1.096 -8.735 2.626
76 HG SER 10 HG SER 10 -0.041 -6.364 3.443
77 H ARG 11 H ARG 11 -0.815 -7.069 -0.748
78 HA ARG 11 HA ARG 11 -2.377 -4.773 0.168
79 HB2 ARG 11 2HB ARG 11 -3.296 -4.751 -2.146
80 HB3 ARG 11 1HB ARG 11 -1.566 -4.460 -2.053
81 HG2 ARG 11 2HG ARG 11 -2.401 -7.224 -2.408
82 HG3 ARG 11 1HG ARG 11 -2.703 -6.149 -3.766
83 HD2 ARG 11 2HD ARG 11 -0.330 -5.483 -3.718
84 HD3 ARG 11 1HD ARG 11 -0.054 -6.603 -2.385
85 HE ARG 11 HE ARG 11 -0.473 -8.422 -3.898
86 HH11 ARG 11 1HH1 ARG 11 -0.216 -5.277 -5.361
87 HH12 ARG 11 2HH1 ARG 11 0.231 -5.869 -6.934
88 HH21 ARG 11 1HH2 ARG 11 0.174 -9.255 -5.937
89 HH22 ARG 11 2HH2 ARG 11 0.456 -8.157 -7.257
90 H ASN 12 H ASN 12 -4.745 -5.206 -1.138
91 HA ASN 12 HA ASN 12 -5.900 -7.732 -0.698
92 HB2 ASN 12 2HB ASN 12 -5.508 -7.180 1.661
93 HB3 ASN 12 1HB ASN 12 -6.394 -5.677 1.478
94 HD21 ASN 12 1HD2 ASN 12 -6.621 -9.100 1.863
95 HD22 ASN 12 2HD2 ASN 12 -8.338 -9.169 2.072
96 H TYR 13 H TYR 13 -7.664 -5.005 0.451
97 HA TYR 13 HA TYR 13 -8.411 -3.762 -1.923
98 HB2 TYR 13 2HB TYR 13 -9.563 -6.173 -1.968
99 HB3 TYR 13 1HB TYR 13 -10.735 -5.341 -0.952
100 HD1 TYR 13 1HD TYR 13 -11.757 -3.167 -1.877
101 HD2 TYR 13 2HD TYR 13 -9.644 -5.958 -4.289
102 HE1 TYR 13 1HE TYR 13 -12.802 -2.211 -3.885
103 HE2 TYR 13 2HE TYR 13 -10.679 -5.009 -6.309
104 HH TYR 13 HH TYR 13 -12.196 -2.067 -6.382
105 H GLY 14 H GLY 14 -9.570 -4.895 1.194
106 HA2 GLY 14 2HA GLY 14 -9.155 -2.904 2.809
107 HA3 GLY 14 1HA GLY 14 -10.408 -2.157 1.835
108 H LYS 15 H LYS 15 -10.920 -2.247 4.409
109 HA LYS 15 HA LYS 15 -12.170 -4.613 5.362
110 HB2 LYS 15 2HB LYS 15 -12.904 -1.898 6.313
111 HB3 LYS 15 1HB LYS 15 -12.829 -3.384 7.230
112 HG2 LYS 15 2HG LYS 15 -10.374 -2.140 6.094
113 HG3 LYS 15 1HG LYS 15 -11.044 -1.591 7.631
114 HD2 LYS 15 2HD LYS 15 -10.964 -3.986 8.401
115 HD3 LYS 15 1HD LYS 15 -10.057 -4.353 6.933
116 HE2 LYS 15 2HE LYS 15 -8.248 -2.994 7.589
117 HE3 LYS 15 1HE LYS 15 -9.190 -2.221 8.865
118 HZ1 LYS 15 3HZ LYS 15 -8.301 -5.061 8.823
119 HZ2 LYS 15 1HZ LYS 15 -9.254 -4.348 10.036
120 HZ3 LYS 15 2HZ LYS 15 -7.660 -3.820 9.789
121 H GLY 16 H GLY 16 -13.505 -1.515 4.578
122 HA2 GLY 16 2HA GLY 16 -15.474 -1.680 2.931
123 HA3 GLY 16 1HA GLY 16 -16.125 -2.761 4.151
124 H SER 17 H SER 17 -14.202 -0.218 5.312
125 HA SER 17 HA SER 17 -16.341 0.751 6.911
126 HB2 SER 17 2HB SER 17 -14.472 2.404 7.604
127 HB3 SER 17 1HB SER 17 -14.293 0.697 8.009
128 HG SER 17 HG SER 17 -12.770 2.265 6.382
129 H GLY 18 H GLY 18 -14.554 2.028 4.200
130 HA2 GLY 18 2HA GLY 18 -16.594 3.745 3.374
131 HA3 GLY 18 1HA GLY 18 -15.437 4.668 4.326
132 H SER 19 H SER 19 -16.144 3.313 1.323
133 HA SER 19 HA SER 19 -13.623 2.993 0.182
134 HB2 SER 19 2HB SER 19 -14.846 3.595 -1.986
135 HB3 SER 19 1HB SER 19 -15.354 2.151 -1.110
136 HG SER 19 HG SER 19 -17.064 3.385 -0.216
137 H PHE 20 H PHE 20 -12.086 4.291 0.033
138 HA PHE 20 HA PHE 20 -12.523 7.124 -0.641
139 HB2 PHE 20 2HB PHE 20 -11.459 6.097 1.757
140 HB3 PHE 20 1HB PHE 20 -10.073 6.657 0.833
141 HD1 PHE 20 1HD PHE 20 -9.831 9.018 0.256
142 HD2 PHE 20 2HD PHE 20 -13.081 7.625 2.628
143 HE1 PHE 20 1HE PHE 20 -10.305 11.327 0.961
144 HE2 PHE 20 2HE PHE 20 -13.562 9.933 3.334
145 HZ PHE 20 HZ PHE 20 -12.170 11.785 2.499
146 H THR 21 H THR 21 -9.529 7.375 -0.628
147 HA THR 21 HA THR 21 -8.710 5.375 -2.595
148 HB THR 21 HB THR 21 -8.079 8.241 -3.189
149 HG1 THR 21 1HG THR 21 -10.458 6.825 -3.746
150 HG21 THR 21 3HG2 THR 21 -8.441 6.014 -5.145
151 HG22 THR 21 1HG2 THR 21 -6.978 6.092 -4.157
152 HG23 THR 21 2HG2 THR 21 -7.387 7.427 -5.240
153 H ASN 22 H ASN 22 -7.372 4.596 -1.080
154 HA ASN 22 HA ASN 22 -5.124 6.305 -0.226
155 HB2 ASN 22 2HB ASN 22 -6.165 3.675 0.887
156 HB3 ASN 22 1HB ASN 22 -4.661 4.430 1.400
157 HD21 ASN 22 1HD2 ASN 22 -5.767 7.138 1.207
158 HD22 ASN 22 2HD2 ASN 22 -6.820 7.320 2.565
159 H TYR 23 H TYR 23 -3.054 4.857 -0.130
160 HA TYR 23 HA TYR 23 -2.897 3.601 -2.780
161 HB2 TYR 23 2HB TYR 23 -0.787 4.872 -1.012
162 HB3 TYR 23 1HB TYR 23 -0.406 3.989 -2.486
163 HD1 TYR 23 1HD TYR 23 -2.623 6.772 -1.342
164 HD2 TYR 23 2HD TYR 23 -0.124 5.229 -4.419
165 HE1 TYR 23 1HE TYR 23 -2.941 8.843 -2.628
166 HE2 TYR 23 2HE TYR 23 -0.436 7.298 -5.716
167 HH TYR 23 HH TYR 23 -1.835 9.174 -5.909
168 H TYR 24 H TYR 24 -1.542 1.739 -3.010
169 HA TYR 24 HA TYR 24 -0.709 0.313 -0.610
170 HB2 TYR 24 2HB TYR 24 -1.909 -1.664 -1.017
171 HB3 TYR 24 1HB TYR 24 -3.105 -0.416 -1.347
172 HD1 TYR 24 2HD TYR 24 -3.746 0.093 -3.697
173 HD2 TYR 24 1HD TYR 24 -1.117 -3.117 -2.749
174 HE1 TYR 24 2HE TYR 24 -4.116 -0.879 -5.929
175 HE2 TYR 24 1HE TYR 24 -1.469 -4.085 -4.936
176 HH TYR 24 HH TYR 24 -2.920 -2.408 -7.495
177 H TYR 25 H TYR 25 1.003 -1.159 -1.101
178 HA TYR 25 HA TYR 25 2.424 -0.338 -3.461
179 HB2 TYR 25 2HB TYR 25 3.704 -0.458 -1.462
180 HB3 TYR 25 1HB TYR 25 3.160 -2.092 -1.144
181 HD1 TYR 25 2HD TYR 25 5.162 -0.069 -3.502
182 HD2 TYR 25 1HD TYR 25 4.420 -3.939 -1.905
183 HE1 TYR 25 2HE TYR 25 7.154 -0.917 -4.652
184 HE2 TYR 25 1HE TYR 25 6.418 -4.799 -3.055
185 HH TYR 25 HH TYR 25 7.821 -4.217 -5.006
186 H ASP 26 H ASP 26 2.739 -1.390 -5.260
187 HA ASP 26 HA ASP 26 1.896 -4.195 -5.490
188 HB2 ASP 26 2HB ASP 26 0.042 -3.063 -6.391
189 HB3 ASP 26 1HB ASP 26 1.052 -1.840 -7.154
190 H LYS 27 H LYS 27 3.393 -5.426 -6.526
191 HA LYS 27 HA LYS 27 5.626 -4.072 -7.734
192 HB2 LYS 27 2HB LYS 27 6.274 -6.688 -7.920
193 HB3 LYS 27 1HB LYS 27 6.646 -5.655 -6.545
194 HG2 LYS 27 2HG LYS 27 4.327 -6.329 -5.725
195 HG3 LYS 27 1HG LYS 27 4.474 -7.666 -6.867
196 HD2 LYS 27 2HD LYS 27 5.230 -8.385 -4.674
197 HD3 LYS 27 1HD LYS 27 6.603 -8.314 -5.784
198 HE2 LYS 27 2HE LYS 27 5.945 -5.922 -4.147
199 HE3 LYS 27 1HE LYS 27 6.741 -7.286 -3.358
200 HZ1 LYS 27 3HZ LYS 27 8.619 -7.068 -4.731
201 HZ2 LYS 27 1HZ LYS 27 8.223 -5.477 -4.305
202 HZ3 LYS 27 2HZ LYS 27 7.821 -6.064 -5.840
203 H ALA 28 H ALA 28 2.882 -4.525 -9.077
204 HA ALA 28 HA ALA 28 3.922 -5.677 -11.565
205 HB1 ALA 28 1HB ALA 28 1.166 -4.637 -10.892
206 HB2 ALA 28 2HB ALA 28 1.658 -6.331 -10.945
207 HB3 ALA 28 3HB ALA 28 1.638 -5.372 -12.426
208 H THR 29 H THR 29 3.126 -2.728 -9.967
209 HA THR 29 HA THR 29 4.008 -1.180 -12.311
210 HB THR 29 HB THR 29 1.841 -0.509 -11.296
211 HG1 THR 29 1HG THR 29 3.018 1.129 -12.299
212 HG21 THR 29 3HG2 THR 29 3.485 0.213 -8.869
213 HG22 THR 29 1HG2 THR 29 2.361 -1.144 -8.974
214 HG23 THR 29 2HG2 THR 29 1.761 0.512 -9.095
215 H SER 30 H SER 30 5.081 -2.570 -9.518
216 HA SER 30 HA SER 30 7.025 -2.574 -8.383
217 HB2 SER 30 2HB SER 30 7.891 -0.814 -10.675
218 HB3 SER 30 1HB SER 30 8.997 -1.503 -9.482
219 HG SER 30 HG SER 30 8.782 -3.424 -10.371
220 H SER 31 H SER 31 4.964 -0.465 -7.937
221 HA SER 31 HA SER 31 6.429 1.000 -5.954
222 HB2 SER 31 2HB SER 31 4.942 2.661 -8.002
223 HB3 SER 31 1HB SER 31 5.986 3.228 -6.695
224 HG SER 31 HG SER 31 7.483 1.643 -8.122
225 H CYS 32 H CYS 32 4.317 2.973 -5.557
226 HA CYS 32 HA CYS 32 2.305 1.119 -4.538
227 HB2 CYS 32 2HB CYS 32 3.424 3.603 -3.575
228 HB3 CYS 32 1HB CYS 32 1.659 3.686 -3.660
229 H LYS 33 H LYS 33 0.353 0.972 -5.285
230 HA LYS 33 HA LYS 33 -0.663 2.930 -7.239
231 HB2 LYS 33 2HB LYS 33 -0.457 0.588 -8.032
232 HB3 LYS 33 1HB LYS 33 -1.495 0.050 -6.736
233 HG2 LYS 33 2HG LYS 33 -2.723 0.096 -8.794
234 HG3 LYS 33 1HG LYS 33 -3.338 1.350 -7.723
235 HD2 LYS 33 2HD LYS 33 -1.308 1.941 -9.854
236 HD3 LYS 33 1HD LYS 33 -3.033 1.935 -10.196
237 HE2 LYS 33 2HE LYS 33 -3.234 3.569 -8.255
238 HE3 LYS 33 1HE LYS 33 -1.486 3.729 -8.353
239 HZ1 LYS 33 3HZ LYS 33 -3.406 4.301 -10.547
240 HZ2 LYS 33 1HZ LYS 33 -1.718 4.427 -10.660
241 HZ3 LYS 33 2HZ LYS 33 -2.575 5.456 -9.621
242 H THR 34 H THR 34 -3.422 2.211 -6.874
243 HA THR 34 HA THR 34 -3.816 3.141 -4.118
244 HB THR 34 HB THR 34 -5.846 4.385 -5.132
245 HG1 THR 34 1HG THR 34 -5.715 3.866 -7.271
246 HG21 THR 34 3HG2 THR 34 -3.029 5.406 -5.400
247 HG22 THR 34 1HG2 THR 34 -4.015 5.410 -3.934
248 HG23 THR 34 2HG2 THR 34 -4.487 6.400 -5.321
249 H PHE 35 H PHE 35 -6.200 3.111 -3.496
250 HA PHE 35 HA PHE 35 -7.945 1.203 -4.618
251 HB2 PHE 35 2HB PHE 35 -7.707 -0.677 -3.234
252 HB3 PHE 35 1HB PHE 35 -6.058 -0.273 -3.670
253 HD1 PHE 35 1HD PHE 35 -5.812 2.070 -1.608
254 HD2 PHE 35 2HD PHE 35 -7.181 -1.959 -1.360
255 HE1 PHE 35 1HE PHE 35 -5.240 1.999 0.787
256 HE2 PHE 35 2HE PHE 35 -6.589 -2.024 1.020
257 HZ PHE 35 HZ PHE 35 -5.619 -0.039 2.098
258 H ARG 36 H ARG 36 -9.759 0.800 -3.177
259 HA ARG 36 HA ARG 36 -10.658 3.313 -2.217
260 HB2 ARG 36 2HB ARG 36 -11.745 0.521 -2.277
261 HB3 ARG 36 1HB ARG 36 -12.672 1.853 -1.610
262 HG2 ARG 36 2HG ARG 36 -11.642 1.730 -4.431
263 HG3 ARG 36 1HG ARG 36 -13.278 1.290 -3.933
264 HD2 ARG 36 2HD ARG 36 -13.503 3.591 -2.976
265 HD3 ARG 36 1HD ARG 36 -11.964 3.988 -3.742
266 HE ARG 36 HE ARG 36 -13.597 2.920 -5.720
267 HH11 ARG 36 1HH1 ARG 36 -13.572 5.707 -3.597
268 HH12 ARG 36 2HH1 ARG 36 -14.454 6.722 -4.700
269 HH21 ARG 36 1HH2 ARG 36 -14.747 4.276 -7.192
270 HH22 ARG 36 2HH2 ARG 36 -15.100 5.915 -6.731
271 H TYR 37 H TYR 37 -9.135 0.647 -0.766
272 HA TYR 37 HA TYR 37 -8.643 0.005 1.341
273 HB2 TYR 37 2HB TYR 37 -8.158 2.392 1.778
274 HB3 TYR 37 1HB TYR 37 -9.857 2.624 2.198
275 HD1 TYR 37 1HD TYR 37 -7.285 0.054 3.127
276 HD2 TYR 37 2HD TYR 37 -10.088 2.965 4.465
277 HE1 TYR 37 1HE TYR 37 -6.766 -0.522 5.463
278 HE2 TYR 37 2HE TYR 37 -9.578 2.393 6.797
279 HH TYR 37 HH TYR 37 -8.685 0.559 8.087
280 H ARG 38 H ARG 38 -11.484 0.215 0.064
281 HA ARG 38 HA ARG 38 -12.955 -1.042 2.248
282 HB2 ARG 38 2HB ARG 38 -13.848 1.196 2.064
283 HB3 ARG 38 1HB ARG 38 -13.966 1.059 0.317
284 HG2 ARG 38 2HG ARG 38 -15.468 -0.952 1.861
285 HG3 ARG 38 1HG ARG 38 -16.033 0.715 2.003
286 HD2 ARG 38 2HD ARG 38 -16.744 0.797 -0.146
287 HD3 ARG 38 1HD ARG 38 -15.421 -0.210 -0.731
288 HE ARG 38 HE ARG 38 -17.463 -1.564 0.824
289 HH11 ARG 38 1HH1 ARG 38 -16.299 -0.667 -2.355
290 HH12 ARG 38 2HH1 ARG 38 -17.126 -1.967 -3.154
291 HH21 ARG 38 1HH2 ARG 38 -18.530 -3.288 -0.228
292 HH22 ARG 38 2HH2 ARG 38 -18.402 -3.447 -1.960
293 H GLY 39 H GLY 39 -12.471 -3.025 1.401
294 HA2 GLY 39 2HA GLY 39 -13.677 -3.651 -1.199
295 HA3 GLY 39 1HA GLY 39 -12.459 -4.629 -0.393
296 H SER 40 H SER 40 -13.108 -6.313 0.752
297 HA SER 40 HA SER 40 -15.873 -6.428 1.704
298 HB2 SER 40 2HB SER 40 -15.768 -7.434 -0.590
299 HB3 SER 40 1HB SER 40 -14.616 -8.614 0.029
300 HG SER 40 HG SER 40 -16.277 -9.227 1.555
301 H GLY 41 H GLY 41 -13.076 -6.249 2.815
302 HA2 GLY 41 2HA GLY 41 -12.919 -7.008 5.165
303 HA3 GLY 41 1HA GLY 41 -13.273 -8.620 4.565
304 H GLY 42 H GLY 42 -10.858 -6.529 5.468
305 HA2 GLY 42 2HA GLY 42 -8.712 -8.041 5.458
306 HA3 GLY 42 1HA GLY 42 -8.830 -7.708 3.734
307 H ASN 43 H ASN 43 -6.576 -6.905 4.614
308 HA ASN 43 HA ASN 43 -6.796 -4.004 4.813
309 HB2 ASN 43 2HB ASN 43 -6.651 -4.732 7.142
310 HB3 ASN 43 1HB ASN 43 -5.215 -5.684 6.776
311 HD21 ASN 43 1HD2 ASN 43 -3.901 -4.626 8.188
312 HD22 ASN 43 2HD2 ASN 43 -3.382 -2.979 7.957
313 H GLY 44 H GLY 44 -5.396 -3.069 3.471
314 HA2 GLY 44 2HA GLY 44 -3.158 -4.706 2.461
315 HA3 GLY 44 1HA GLY 44 -3.946 -3.418 1.557
316 H ASN 45 H ASN 45 -2.968 -3.345 4.925
317 HA ASN 45 HA ASN 45 -1.465 -2.133 6.104
318 HB2 ASN 45 2HB ASN 45 -0.176 -1.917 3.401
319 HB3 ASN 45 1HB ASN 45 0.444 -0.995 4.768
320 HD21 ASN 45 1HD2 ASN 45 1.375 -2.069 6.501
321 HD22 ASN 45 2HD2 ASN 45 1.889 -3.719 6.386
322 H ARG 46 H ARG 46 -2.506 -0.549 3.128
323 HA ARG 46 HA ARG 46 -3.545 1.412 2.726
324 HB2 ARG 46 2HB ARG 46 -5.011 1.046 4.584
325 HB3 ARG 46 1HB ARG 46 -3.777 1.568 5.729
326 HG2 ARG 46 2HG ARG 46 -3.863 3.826 4.695
327 HG3 ARG 46 1HG ARG 46 -5.208 3.268 3.698
328 HD2 ARG 46 2HD ARG 46 -6.396 2.657 5.835
329 HD3 ARG 46 1HD ARG 46 -5.108 3.489 6.703
330 HE ARG 46 HE ARG 46 -6.774 4.887 4.707
331 HH11 ARG 46 1HH1 ARG 46 -5.347 4.657 7.899
332 HH12 ARG 46 2HH1 ARG 46 -6.032 6.156 8.457
333 HH21 ARG 46 1HH2 ARG 46 -7.690 6.869 5.444
334 HH22 ARG 46 2HH2 ARG 46 -7.345 7.427 7.051
335 H PHE 47 H PHE 47 -2.459 2.918 1.859
336 HA PHE 47 HA PHE 47 -0.395 4.341 3.396
337 HB2 PHE 47 2HB PHE 47 -0.386 3.377 0.537
338 HB3 PHE 47 1HB PHE 47 0.703 4.642 1.085
339 HD1 PHE 47 1HD PHE 47 2.063 4.082 3.232
340 HD2 PHE 47 2HD PHE 47 0.307 1.185 0.662
341 HE1 PHE 47 1HE PHE 47 3.613 2.392 4.095
342 HE2 PHE 47 2HE PHE 47 1.861 -0.517 1.519
343 HZ PHE 47 HZ PHE 47 3.519 0.084 3.240
344 H LYS 48 H LYS 48 -0.493 6.543 3.315
345 HA LYS 48 HA LYS 48 -2.918 7.749 2.474
346 HB2 LYS 48 2HB LYS 48 -0.523 9.471 2.810
347 HB3 LYS 48 1HB LYS 48 -2.132 9.662 3.463
348 HG2 LYS 48 2HG LYS 48 0.099 7.948 4.509
349 HG3 LYS 48 1HG LYS 48 -0.653 9.342 5.283
350 HD2 LYS 48 2HD LYS 48 -2.798 7.974 5.287
351 HD3 LYS 48 1HD LYS 48 -1.792 6.593 4.860
352 HE2 LYS 48 2HE LYS 48 -1.698 8.257 7.365
353 HE3 LYS 48 1HE LYS 48 -1.992 6.525 7.215
354 HZ1 LYS 48 3HZ LYS 48 0.219 6.749 7.951
355 HZ2 LYS 48 1HZ LYS 48 0.564 7.978 6.831
356 HZ3 LYS 48 2HZ LYS 48 0.338 6.384 6.297
357 H THR 49 H THR 49 0.380 8.129 1.354
358 HA THR 49 HA THR 49 -0.598 8.588 -1.373
359 HB THR 49 HB THR 49 1.354 10.186 -1.630
360 HG1 THR 49 1HG THR 49 1.169 10.725 1.111
361 HG21 THR 49 3HG2 THR 49 0.103 12.098 -0.709
362 HG22 THR 49 1HG2 THR 49 -0.928 10.976 0.181
363 HG23 THR 49 2HG2 THR 49 -0.946 10.981 -1.583
364 H LEU 50 H LEU 50 1.307 8.379 -2.974
365 HA LEU 50 HA LEU 50 2.624 5.919 -2.392
366 HB2 LEU 50 2HB LEU 50 2.133 5.841 -4.587
367 HB3 LEU 50 1HB LEU 50 2.109 7.581 -4.749
368 HG LEU 50 HG LEU 50 3.703 6.436 -6.242
369 HD11 LEU 50 1HD1 LEU 50 4.554 8.514 -4.312
370 HD12 LEU 50 2HD1 LEU 50 4.248 8.625 -6.048
371 HD13 LEU 50 3HD1 LEU 50 5.734 7.876 -5.461
372 HD21 LEU 50 3HD2 LEU 50 4.384 4.632 -4.696
373 HD22 LEU 50 1HD2 LEU 50 5.314 5.813 -3.764
374 HD23 LEU 50 2HD2 LEU 50 5.744 5.467 -5.444
375 H GLU 51 H GLU 51 3.385 9.269 -2.202
376 HA GLU 51 HA GLU 51 6.199 8.993 -2.248
377 HB2 GLU 51 2HB GLU 51 6.210 11.277 -1.201
378 HB3 GLU 51 1HB GLU 51 5.310 11.153 -2.706
379 HG2 GLU 51 2HG GLU 51 3.225 10.998 -1.412
380 HG3 GLU 51 1HG GLU 51 4.158 11.209 0.071
381 H ASP 52 H ASP 52 3.826 8.823 0.303
382 HA ASP 52 HA ASP 52 5.668 8.589 2.481
383 HB2 ASP 52 2HB ASP 52 3.299 9.172 2.811
384 HB3 ASP 52 1HB ASP 52 2.811 7.615 2.170
385 H CYS 53 H CYS 53 3.739 6.313 0.668
386 HA CYS 53 HA CYS 53 4.660 3.891 1.595
387 HB2 CYS 53 2HB CYS 53 2.806 4.004 0.117
388 HB3 CYS 53 1HB CYS 53 3.763 4.779 -1.137
389 H GLU 54 H GLU 54 5.978 5.810 -1.101
390 HA GLU 54 HA GLU 54 8.089 3.982 -1.655
391 HB2 GLU 54 2HB GLU 54 8.890 5.588 -3.209
392 HB3 GLU 54 1HB GLU 54 7.142 5.673 -3.295
393 HG2 GLU 54 2HG GLU 54 7.119 7.688 -2.020
394 HG3 GLU 54 1HG GLU 54 8.837 7.543 -1.662
395 H ALA 55 H ALA 55 7.641 6.582 0.568
396 HA ALA 55 HA ALA 55 10.283 7.316 0.939
397 HB1 ALA 55 1HB ALA 55 7.954 7.291 2.850
398 HB2 ALA 55 2HB ALA 55 8.658 8.665 1.997
399 HB3 ALA 55 3HB ALA 55 9.547 7.896 3.310
400 H THR 56 H THR 56 8.388 5.037 2.907
401 HA THR 56 HA THR 56 10.653 4.019 4.233
402 HB THR 56 HB THR 56 8.561 3.748 5.316
403 HG1 THR 56 1HG THR 56 10.143 2.008 5.509
404 HG21 THR 56 3HG2 THR 56 7.664 2.028 2.999
405 HG22 THR 56 1HG2 THR 56 7.113 3.671 3.329
406 HG23 THR 56 2HG2 THR 56 6.743 2.372 4.462
407 H CYS 57 H CYS 57 8.805 2.646 1.520
408 HA CYS 57 HA CYS 57 10.446 0.298 1.419
409 HB2 CYS 57 2HB CYS 57 8.186 0.034 0.748
410 HB3 CYS 57 1HB CYS 57 8.273 1.391 -0.363
411 H VAL 58 H VAL 58 10.013 3.010 -0.878
412 HA VAL 58 HA VAL 58 11.870 1.948 -2.691
413 HB VAL 58 HB VAL 58 10.624 4.676 -2.467
414 HG11 VAL 58 1HG1 VAL 58 12.896 4.890 -3.455
415 HG12 VAL 58 2HG1 VAL 58 11.592 5.296 -4.577
416 HG13 VAL 58 3HG1 VAL 58 12.413 3.739 -4.705
417 HG21 VAL 58 3HG2 VAL 58 9.444 3.955 -4.487
418 HG22 VAL 58 1HG2 VAL 58 9.196 2.819 -3.161
419 HG23 VAL 58 2HG2 VAL 58 10.326 2.427 -4.457
420 H THR 59 H THR 59 12.373 4.156 0.072
421 HA THR 59 HA THR 59 15.027 4.762 -0.844
422 HB THR 59 HB THR 59 15.449 5.782 1.291
423 HG1 THR 59 1HG THR 59 12.855 5.226 2.208
424 HG21 THR 59 3HG2 THR 59 12.669 6.484 0.364
425 HG22 THR 59 1HG2 THR 59 14.154 6.997 -0.438
426 HG23 THR 59 2HG2 THR 59 13.805 7.543 1.202
427 H ALA 60 H ALA 60 13.726 2.725 1.719
428 HA ALA 60 HA ALA 60 16.179 1.722 2.642
429 HB1 ALA 60 1HB ALA 60 14.119 1.605 3.946
430 HB2 ALA 60 2HB ALA 60 14.877 0.020 3.793
431 HB3 ALA 60 3HB ALA 60 13.469 0.423 2.809
432 H GLU 61 H GLU 61 13.857 0.294 0.417
433 HA GLU 61 HA GLU 61 13.980 -1.316 -1.157
434 HB2 GLU 61 2HB GLU 61 16.915 -0.665 -1.066
435 HB3 GLU 61 1HB GLU 61 16.130 -1.595 -2.337
436 HG2 GLU 61 2HG GLU 61 14.720 0.405 -2.812
437 HG3 GLU 61 1HG GLU 61 15.689 1.298 -1.645
Start of MODEL 8
1 H2 PRO 1 1HT PRO 1 17.866 -1.379 8.247
2 H3 PRO 1 2HT PRO 1 17.906 -3.014 8.227
3 HA PRO 1 HA PRO 1 15.938 -3.287 9.095
4 HB2 PRO 1 2HB PRO 1 15.380 -0.703 10.285
5 HB3 PRO 1 1HB PRO 1 15.374 -2.305 11.035
6 HG2 PRO 1 2HG PRO 1 17.518 -0.296 10.938
7 HG3 PRO 1 1HG PRO 1 17.302 -1.660 12.048
8 HD2 PRO 1 2HD PRO 1 19.241 -1.678 10.198
9 HD3 PRO 1 1HD PRO 1 18.358 -3.157 10.614
10 H ALA 2 H ALA 2 15.628 -3.158 6.796
11 HA ALA 2 HA ALA 2 13.797 -1.093 6.005
12 HB1 ALA 2 1HB ALA 2 16.463 -1.240 4.591
13 HB2 ALA 2 2HB ALA 2 15.925 0.077 5.633
14 HB3 ALA 2 3HB ALA 2 15.089 -0.243 4.113
15 H GLN 3 H GLN 3 12.656 -1.651 4.103
16 HA GLN 3 HA GLN 3 11.756 -2.972 2.518
17 HB2 GLN 3 2HB GLN 3 14.517 -3.129 2.193
18 HB3 GLN 3 1HB GLN 3 13.933 -4.785 2.079
19 HG2 GLN 3 2HG GLN 3 12.571 -2.594 0.604
20 HG3 GLN 3 1HG GLN 3 14.058 -3.303 -0.046
21 HE21 GLN 3 1HE2 GLN 3 14.051 -5.446 -0.720
22 HE22 GLN 3 2HE2 GLN 3 12.592 -6.317 -1.041
23 H ASP 4 H ASP 4 12.697 -4.209 5.422
24 HA ASP 4 HA ASP 4 12.631 -6.861 5.496
25 HB2 ASP 4 2HB ASP 4 11.595 -6.735 7.688
26 HB3 ASP 4 1HB ASP 4 12.766 -5.454 7.485
27 H TYR 5 H TYR 5 9.523 -5.116 5.788
28 HA TYR 5 HA TYR 5 8.367 -6.893 3.794
29 HB2 TYR 5 2HB TYR 5 7.261 -6.674 6.598
30 HB3 TYR 5 1HB TYR 5 6.314 -7.243 5.221
31 HD1 TYR 5 2HD TYR 5 7.097 -9.310 4.003
32 HD2 TYR 5 1HD TYR 5 8.697 -8.128 7.761
33 HE1 TYR 5 2HE TYR 5 7.958 -11.586 4.344
34 HE2 TYR 5 1HE TYR 5 9.567 -10.399 8.112
35 HH TYR 5 HH TYR 5 9.130 -12.675 7.355
36 H ARG 6 H ARG 6 8.643 -3.941 5.376
37 HA ARG 6 HA ARG 6 6.115 -2.790 4.890
38 HB2 ARG 6 2HB ARG 6 7.210 -0.697 5.437
39 HB3 ARG 6 1HB ARG 6 7.736 -1.963 6.543
40 HG2 ARG 6 2HG ARG 6 9.717 -2.280 5.005
41 HG3 ARG 6 1HG ARG 6 9.222 -0.772 4.250
42 HD2 ARG 6 2HD ARG 6 10.834 -0.141 5.841
43 HD3 ARG 6 1HD ARG 6 9.287 0.215 6.612
44 HE ARG 6 HE ARG 6 10.133 -2.423 7.234
45 HH11 ARG 6 1HH1 ARG 6 10.763 0.935 8.050
46 HH12 ARG 6 2HH1 ARG 6 11.415 0.556 9.620
47 HH21 ARG 6 1HH2 ARG 6 10.955 -2.914 9.282
48 HH22 ARG 6 2HH2 ARG 6 11.509 -1.638 10.328
49 H CYS 7 H CYS 7 8.362 -3.786 2.723
50 HA CYS 7 HA CYS 7 7.337 -1.958 0.673
51 HB2 CYS 7 2HB CYS 7 9.645 -1.353 1.294
52 HB3 CYS 7 1HB CYS 7 10.170 -2.990 0.931
53 H GLN 8 H GLN 8 7.366 -5.080 1.751
54 HA GLN 8 HA GLN 8 7.067 -6.091 -0.984
55 HB2 GLN 8 2HB GLN 8 8.178 -8.189 -0.416
56 HB3 GLN 8 1HB GLN 8 9.252 -6.809 -0.257
57 HG2 GLN 8 2HG GLN 8 8.910 -6.853 2.174
58 HG3 GLN 8 1HG GLN 8 7.893 -8.282 1.983
59 HE21 GLN 8 1HE2 GLN 8 11.121 -7.014 1.776
60 HE22 GLN 8 2HE2 GLN 8 11.939 -8.540 1.719
61 H LEU 9 H LEU 9 5.607 -5.762 2.009
62 HA LEU 9 HA LEU 9 3.921 -7.963 2.151
63 HB2 LEU 9 2HB LEU 9 3.385 -5.042 2.668
64 HB3 LEU 9 1HB LEU 9 2.200 -6.292 2.998
65 HG LEU 9 HG LEU 9 4.940 -6.162 4.263
66 HD11 LEU 9 1HD1 LEU 9 3.616 -4.291 5.018
67 HD12 LEU 9 2HD1 LEU 9 3.709 -5.501 6.301
68 HD13 LEU 9 3HD1 LEU 9 2.240 -5.350 5.334
69 HD21 LEU 9 3HD2 LEU 9 2.536 -7.876 4.874
70 HD22 LEU 9 1HD2 LEU 9 4.052 -7.858 5.776
71 HD23 LEU 9 2HD2 LEU 9 4.027 -8.421 4.104
72 H SER 10 H SER 10 1.700 -8.216 1.404
73 HA SER 10 HA SER 10 1.505 -7.609 -1.414
74 HB2 SER 10 2HB SER 10 -0.537 -9.058 -1.257
75 HB3 SER 10 1HB SER 10 0.976 -9.843 -0.817
76 HG SER 10 HG SER 10 -0.331 -10.379 0.819
77 H ARG 11 H ARG 11 -0.417 -6.741 -2.371
78 HA ARG 11 HA ARG 11 -0.775 -4.176 -1.400
79 HB2 ARG 11 2HB ARG 11 -2.571 -4.062 -3.203
80 HB3 ARG 11 1HB ARG 11 -0.885 -4.262 -3.657
81 HG2 ARG 11 2HG ARG 11 -1.292 -6.663 -3.840
82 HG3 ARG 11 1HG ARG 11 -3.006 -6.383 -3.533
83 HD2 ARG 11 2HD ARG 11 -2.923 -4.764 -5.475
84 HD3 ARG 11 1HD ARG 11 -1.329 -5.423 -5.824
85 HE ARG 11 HE ARG 11 -3.328 -7.464 -5.604
86 HH11 ARG 11 1HH1 ARG 11 -1.812 -5.207 -7.821
87 HH12 ARG 11 2HH1 ARG 11 -2.526 -5.929 -9.230
88 HH21 ARG 11 1HH2 ARG 11 -4.221 -8.432 -7.449
89 HH22 ARG 11 2HH2 ARG 11 -3.874 -7.786 -9.028
90 H ASN 12 H ASN 12 -2.867 -6.920 -1.133
91 HA ASN 12 HA ASN 12 -5.246 -5.604 -0.485
92 HB2 ASN 12 2HB ASN 12 -4.286 -8.356 0.245
93 HB3 ASN 12 1HB ASN 12 -5.898 -7.778 0.543
94 HD21 ASN 12 1HD2 ASN 12 -4.985 -9.996 -1.099
95 HD22 ASN 12 2HD2 ASN 12 -5.628 -9.704 -2.681
96 H TYR 13 H TYR 13 -6.342 -5.834 1.607
97 HA TYR 13 HA TYR 13 -5.240 -5.958 4.098
98 HB2 TYR 13 2HB TYR 13 -3.710 -4.180 3.228
99 HB3 TYR 13 1HB TYR 13 -5.101 -3.127 3.073
100 HD1 TYR 13 2HD TYR 13 -3.780 -5.395 5.746
101 HD2 TYR 13 1HD TYR 13 -5.232 -1.531 4.728
102 HE1 TYR 13 2HE TYR 13 -3.557 -4.699 8.090
103 HE2 TYR 13 1HE TYR 13 -5.013 -0.827 7.073
104 HH TYR 13 HH TYR 13 -4.964 -1.867 9.302
105 H GLY 14 H GLY 14 -7.000 -3.523 2.287
106 HA2 GLY 14 2HA GLY 14 -8.908 -3.096 4.381
107 HA3 GLY 14 1HA GLY 14 -8.935 -2.368 2.784
108 H LYS 15 H LYS 15 -10.742 -4.066 4.748
109 HA LYS 15 HA LYS 15 -11.682 -6.119 2.951
110 HB2 LYS 15 2HB LYS 15 -13.472 -6.019 5.025
111 HB3 LYS 15 1HB LYS 15 -12.069 -7.063 4.933
112 HG2 LYS 15 2HG LYS 15 -10.753 -5.484 6.152
113 HG3 LYS 15 1HG LYS 15 -12.079 -4.326 6.160
114 HD2 LYS 15 2HD LYS 15 -12.248 -7.064 7.411
115 HD3 LYS 15 1HD LYS 15 -11.794 -5.608 8.301
116 HE2 LYS 15 2HE LYS 15 -13.934 -4.585 7.763
117 HE3 LYS 15 1HE LYS 15 -14.384 -5.992 6.800
118 HZ1 LYS 15 3HZ LYS 15 -13.813 -6.073 9.715
119 HZ2 LYS 15 1HZ LYS 15 -14.417 -7.338 8.759
120 HZ3 LYS 15 2HZ LYS 15 -15.370 -5.963 9.047
121 H GLY 16 H GLY 16 -13.446 -3.821 4.866
122 HA2 GLY 16 2HA GLY 16 -14.941 -2.734 2.698
123 HA3 GLY 16 1HA GLY 16 -15.850 -3.924 3.614
124 H SER 17 H SER 17 -14.530 -0.763 3.570
125 HA SER 17 HA SER 17 -15.860 -0.195 6.125
126 HB2 SER 17 2HB SER 17 -14.264 1.763 6.278
127 HB3 SER 17 1HB SER 17 -13.517 0.174 6.432
128 HG SER 17 HG SER 17 -12.700 1.965 4.841
129 H GLY 18 H GLY 18 -14.780 1.520 3.277
130 HA2 GLY 18 2HA GLY 18 -17.256 2.321 2.356
131 HA3 GLY 18 1HA GLY 18 -16.691 3.570 3.461
132 H SER 19 H SER 19 -16.500 2.319 0.344
133 HA SER 19 HA SER 19 -14.028 2.583 -0.622
134 HB2 SER 19 2HB SER 19 -15.082 3.498 -2.744
135 HB3 SER 19 1HB SER 19 -15.673 1.952 -2.139
136 HG SER 19 HG SER 19 -16.966 4.307 -1.307
137 H PHE 20 H PHE 20 -12.513 3.928 -0.452
138 HA PHE 20 HA PHE 20 -13.010 6.834 -0.507
139 HB2 PHE 20 2HB PHE 20 -11.981 5.315 1.614
140 HB3 PHE 20 1HB PHE 20 -10.570 6.032 0.856
141 HD1 PHE 20 1HD PHE 20 -10.295 8.464 0.786
142 HD2 PHE 20 2HD PHE 20 -13.563 6.641 2.811
143 HE1 PHE 20 1HE PHE 20 -10.723 10.569 1.986
144 HE2 PHE 20 2HE PHE 20 -13.998 8.743 4.013
145 HZ PHE 20 HZ PHE 20 -12.577 10.712 3.599
146 H THR 21 H THR 21 -10.089 7.236 -0.389
147 HA THR 21 HA THR 21 -9.016 5.703 -2.617
148 HB THR 21 HB THR 21 -8.930 8.707 -2.747
149 HG1 THR 21 1HG THR 21 -10.832 6.898 -3.659
150 HG21 THR 21 3HG2 THR 21 -8.302 8.063 -5.165
151 HG22 THR 21 1HG2 THR 21 -7.992 6.463 -4.490
152 HG23 THR 21 2HG2 THR 21 -7.090 7.860 -3.900
153 H ASN 22 H ASN 22 -7.429 4.907 -1.523
154 HA ASN 22 HA ASN 22 -5.400 6.768 -0.491
155 HB2 ASN 22 2HB ASN 22 -6.624 4.410 0.838
156 HB3 ASN 22 1HB ASN 22 -4.869 4.517 0.935
157 HD21 ASN 22 1HD2 ASN 22 -6.788 7.416 0.735
158 HD22 ASN 22 2HD2 ASN 22 -6.545 7.917 2.380
159 H TYR 23 H TYR 23 -3.245 5.306 -0.362
160 HA TYR 23 HA TYR 23 -3.071 4.252 -3.094
161 HB2 TYR 23 2HB TYR 23 -0.914 5.296 -1.235
162 HB3 TYR 23 1HB TYR 23 -0.604 4.608 -2.824
163 HD1 TYR 23 1HD TYR 23 -2.663 7.279 -1.231
164 HD2 TYR 23 2HD TYR 23 -0.395 6.065 -4.609
165 HE1 TYR 23 1HE TYR 23 -2.947 9.516 -2.214
166 HE2 TYR 23 2HE TYR 23 -0.675 8.295 -5.607
167 HH TYR 23 HH TYR 23 -2.223 10.205 -5.449
168 H TYR 24 H TYR 24 -1.735 2.377 -3.461
169 HA TYR 24 HA TYR 24 -0.937 0.813 -1.142
170 HB2 TYR 24 2HB TYR 24 -2.091 -1.167 -1.756
171 HB3 TYR 24 1HB TYR 24 -3.295 0.109 -1.855
172 HD1 TYR 24 2HD TYR 24 -4.010 0.953 -4.115
173 HD2 TYR 24 1HD TYR 24 -1.465 -2.429 -3.672
174 HE1 TYR 24 2HE TYR 24 -4.509 0.264 -6.425
175 HE2 TYR 24 1HE TYR 24 -1.943 -3.123 -5.937
176 HH TYR 24 HH TYR 24 -3.876 -2.770 -7.610
177 H TYR 25 H TYR 25 0.838 -0.500 -1.588
178 HA TYR 25 HA TYR 25 2.200 0.213 -4.043
179 HB2 TYR 25 2HB TYR 25 3.449 0.361 -1.954
180 HB3 TYR 25 1HB TYR 25 3.154 -1.339 -1.647
181 HD1 TYR 25 2HD TYR 25 5.064 1.063 -3.630
182 HD2 TYR 25 1HD TYR 25 4.401 -3.059 -2.836
183 HE1 TYR 25 2HE TYR 25 7.139 0.502 -4.830
184 HE2 TYR 25 1HE TYR 25 6.468 -3.630 -4.027
185 HH TYR 25 HH TYR 25 8.804 -1.325 -4.904
186 H ASP 26 H ASP 26 1.998 -0.944 -5.768
187 HA ASP 26 HA ASP 26 1.347 -3.793 -5.530
188 HB2 ASP 26 2HB ASP 26 -0.208 -2.529 -6.896
189 HB3 ASP 26 1HB ASP 26 1.117 -1.896 -7.867
190 H LYS 27 H LYS 27 2.851 -5.275 -5.996
191 HA LYS 27 HA LYS 27 5.458 -4.315 -6.741
192 HB2 LYS 27 2HB LYS 27 5.587 -7.103 -6.527
193 HB3 LYS 27 1HB LYS 27 6.088 -5.907 -5.334
194 HG2 LYS 27 2HG LYS 27 3.503 -5.909 -4.834
195 HG3 LYS 27 1HG LYS 27 3.639 -7.552 -5.464
196 HD2 LYS 27 2HD LYS 27 3.914 -7.638 -3.084
197 HD3 LYS 27 1HD LYS 27 5.488 -7.940 -3.826
198 HE2 LYS 27 2HE LYS 27 4.744 -5.151 -3.103
199 HE3 LYS 27 1HE LYS 27 5.223 -6.256 -1.813
200 HZ1 LYS 27 3HZ LYS 27 6.844 -5.464 -4.177
201 HZ2 LYS 27 1HZ LYS 27 7.296 -6.678 -3.087
202 HZ3 LYS 27 2HZ LYS 27 7.144 -5.073 -2.561
203 H ALA 28 H ALA 28 2.901 -5.092 -8.579
204 HA ALA 28 HA ALA 28 4.455 -6.434 -10.655
205 HB1 ALA 28 1HB ALA 28 1.578 -5.513 -10.690
206 HB2 ALA 28 2HB ALA 28 2.131 -7.145 -10.317
207 HB3 ALA 28 3HB ALA 28 2.372 -6.480 -11.933
208 H THR 29 H THR 29 3.580 -3.336 -9.589
209 HA THR 29 HA THR 29 4.581 -2.160 -12.098
210 HB THR 29 HB THR 29 2.328 -1.387 -11.628
211 HG1 THR 29 1HG THR 29 4.305 0.591 -11.035
212 HG21 THR 29 3HG2 THR 29 3.398 -0.467 -8.960
213 HG22 THR 29 1HG2 THR 29 2.268 -1.796 -9.224
214 HG23 THR 29 2HG2 THR 29 1.784 -0.140 -9.592
215 H SER 30 H SER 30 5.342 -2.886 -8.962
216 HA SER 30 HA SER 30 6.987 -2.378 -7.513
217 HB2 SER 30 2HB SER 30 8.276 -1.243 -9.993
218 HB3 SER 30 1HB SER 30 9.118 -1.640 -8.493
219 HG SER 30 HG SER 30 8.007 -3.325 -10.441
220 H SER 31 H SER 31 4.857 -0.549 -7.670
221 HA SER 31 HA SER 31 5.980 1.643 -6.259
222 HB2 SER 31 2HB SER 31 4.911 3.357 -7.898
223 HB3 SER 31 1HB SER 31 6.502 2.698 -8.270
224 HG SER 31 HG SER 31 5.339 2.481 -10.124
225 H CYS 32 H CYS 32 4.005 3.418 -6.144
226 HA CYS 32 HA CYS 32 1.868 1.741 -5.058
227 HB2 CYS 32 2HB CYS 32 3.157 4.203 -4.165
228 HB3 CYS 32 1HB CYS 32 1.391 4.259 -4.086
229 H LYS 33 H LYS 33 -0.046 1.717 -5.844
230 HA LYS 33 HA LYS 33 -0.978 3.835 -7.667
231 HB2 LYS 33 2HB LYS 33 -0.915 1.571 -8.639
232 HB3 LYS 33 1HB LYS 33 -1.903 0.959 -7.339
233 HG2 LYS 33 2HG LYS 33 -3.254 1.155 -9.276
234 HG3 LYS 33 1HG LYS 33 -3.743 2.421 -8.156
235 HD2 LYS 33 2HD LYS 33 -1.802 2.923 -10.392
236 HD3 LYS 33 1HD LYS 33 -3.542 3.060 -10.614
237 HE2 LYS 33 2HE LYS 33 -3.435 4.626 -8.582
238 HE3 LYS 33 1HE LYS 33 -1.708 4.691 -8.900
239 HZ1 LYS 33 3HZ LYS 33 -3.815 5.388 -10.875
240 HZ2 LYS 33 1HZ LYS 33 -2.139 5.542 -11.093
241 HZ3 LYS 33 2HZ LYS 33 -2.938 6.512 -9.956
242 H THR 34 H THR 34 -3.702 3.498 -7.382
243 HA THR 34 HA THR 34 -4.092 3.957 -4.513
244 HB THR 34 HB THR 34 -6.055 5.437 -5.295
245 HG1 THR 34 1HG THR 34 -4.733 6.487 -7.343
246 HG21 THR 34 3HG2 THR 34 -3.202 6.371 -5.486
247 HG22 THR 34 1HG2 THR 34 -4.157 6.207 -4.007
248 HG23 THR 34 2HG2 THR 34 -4.613 7.401 -5.229
249 H PHE 35 H PHE 35 -6.375 3.752 -3.799
250 HA PHE 35 HA PHE 35 -8.135 2.068 -5.261
251 HB2 PHE 35 2HB PHE 35 -7.878 0.002 -4.139
252 HB3 PHE 35 1HB PHE 35 -6.261 0.470 -4.630
253 HD1 PHE 35 1HD PHE 35 -5.743 2.458 -2.319
254 HD2 PHE 35 2HD PHE 35 -7.346 -1.491 -2.456
255 HE1 PHE 35 1HE PHE 35 -4.976 2.051 -0.012
256 HE2 PHE 35 2HE PHE 35 -6.580 -1.887 -0.155
257 HZ PHE 35 HZ PHE 35 -5.390 -0.114 1.067
258 H ARG 36 H ARG 36 -9.921 1.402 -3.976
259 HA ARG 36 HA ARG 36 -10.939 3.597 -2.526
260 HB2 ARG 36 2HB ARG 36 -11.845 0.771 -2.996
261 HB3 ARG 36 1HB ARG 36 -12.862 1.979 -2.225
262 HG2 ARG 36 2HG ARG 36 -11.761 2.146 -5.024
263 HG3 ARG 36 1HG ARG 36 -13.405 1.665 -4.597
264 HD2 ARG 36 2HD ARG 36 -13.731 3.869 -3.533
265 HD3 ARG 36 1HD ARG 36 -12.118 4.336 -4.071
266 HE ARG 36 HE ARG 36 -13.334 3.579 -6.371
267 HH11 ARG 36 1HH1 ARG 36 -14.166 5.834 -3.823
268 HH12 ARG 36 2HH1 ARG 36 -15.087 6.879 -4.862
269 HH21 ARG 36 1HH2 ARG 36 -14.545 4.942 -7.746
270 HH22 ARG 36 2HH2 ARG 36 -15.292 6.377 -7.103
271 H TYR 37 H TYR 37 -9.124 0.894 -1.688
272 HA TYR 37 HA TYR 37 -8.334 0.016 0.221
273 HB2 TYR 37 2HB TYR 37 -8.159 2.128 1.320
274 HB3 TYR 37 1HB TYR 37 -9.908 2.228 1.539
275 HD1 TYR 37 1HD TYR 37 -6.949 0.189 2.539
276 HD2 TYR 37 2HD TYR 37 -10.848 1.546 3.553
277 HE1 TYR 37 1HE TYR 37 -6.724 -0.838 4.760
278 HE2 TYR 37 2HE TYR 37 -10.633 0.526 5.777
279 HH TYR 37 HH TYR 37 -9.357 -1.294 6.841
280 H ARG 38 H ARG 38 -11.502 0.167 -0.673
281 HA ARG 38 HA ARG 38 -12.339 -1.911 1.221
282 HB2 ARG 38 2HB ARG 38 -13.659 0.300 0.981
283 HB3 ARG 38 1HB ARG 38 -14.183 -0.334 -0.570
284 HG2 ARG 38 2HG ARG 38 -14.565 -1.882 1.986
285 HG3 ARG 38 1HG ARG 38 -15.727 -0.661 1.428
286 HD2 ARG 38 2HD ARG 38 -15.980 -1.899 -0.688
287 HD3 ARG 38 1HD ARG 38 -14.863 -3.124 -0.089
288 HE ARG 38 HE ARG 38 -17.352 -2.549 1.373
289 HH11 ARG 38 1HH1 ARG 38 -15.265 -4.760 -0.350
290 HH12 ARG 38 2HH1 ARG 38 -16.237 -6.157 -0.017
291 HH21 ARG 38 1HH2 ARG 38 -18.653 -4.378 1.820
292 HH22 ARG 38 2HH2 ARG 38 -18.163 -5.942 1.237
293 H GLY 39 H GLY 39 -10.941 -3.266 -0.149
294 HA2 GLY 39 2HA GLY 39 -12.117 -3.975 -2.738
295 HA3 GLY 39 1HA GLY 39 -10.533 -4.468 -2.154
296 H SER 40 H SER 40 -10.328 -6.436 -1.298
297 HA SER 40 HA SER 40 -12.762 -7.871 -0.539
298 HB2 SER 40 2HB SER 40 -10.450 -8.951 -2.158
299 HB3 SER 40 1HB SER 40 -11.887 -9.829 -1.681
300 HG SER 40 HG SER 40 -12.045 -7.460 -3.205
301 H GLY 41 H GLY 41 -10.670 -6.530 1.054
302 HA2 GLY 41 2HA GLY 41 -10.056 -7.059 3.221
303 HA3 GLY 41 1HA GLY 41 -10.326 -8.758 2.877
304 H GLY 42 H GLY 42 -8.443 -9.653 3.516
305 HA2 GLY 42 2HA GLY 42 -6.324 -10.451 2.802
306 HA3 GLY 42 1HA GLY 42 -6.080 -8.949 1.922
307 H ASN 43 H ASN 43 -3.954 -9.043 3.004
308 HA ASN 43 HA ASN 43 -4.037 -7.422 5.395
309 HB2 ASN 43 2HB ASN 43 -4.050 -9.746 6.285
310 HB3 ASN 43 1HB ASN 43 -2.539 -10.048 5.432
311 HD21 ASN 43 1HD2 ASN 43 -1.406 -10.469 7.314
312 HD22 ASN 43 2HD2 ASN 43 -0.980 -9.215 8.438
313 H GLY 44 H GLY 44 -2.569 -5.909 5.219
314 HA2 GLY 44 2HA GLY 44 0.072 -6.275 4.259
315 HA3 GLY 44 1HA GLY 44 -0.941 -5.557 3.010
316 H ASN 45 H ASN 45 -1.143 -3.396 3.016
317 HA ASN 45 HA ASN 45 -1.230 -1.900 5.466
318 HB2 ASN 45 2HB ASN 45 1.233 -2.279 5.133
319 HB3 ASN 45 1HB ASN 45 1.113 -1.391 3.617
320 HD21 ASN 45 1HD2 ASN 45 1.090 -1.190 7.068
321 HD22 ASN 45 2HD2 ASN 45 1.210 0.530 7.178
322 H ARG 46 H ARG 46 -2.238 0.023 5.197
323 HA ARG 46 HA ARG 46 -3.011 0.772 2.468
324 HB2 ARG 46 2HB ARG 46 -4.906 0.611 3.893
325 HB3 ARG 46 1HB ARG 46 -4.104 1.494 5.188
326 HG2 ARG 46 2HG ARG 46 -4.133 3.514 3.733
327 HG3 ARG 46 1HG ARG 46 -5.079 2.597 2.562
328 HD2 ARG 46 2HD ARG 46 -6.505 3.990 3.974
329 HD3 ARG 46 1HD ARG 46 -6.839 2.275 4.207
330 HE ARG 46 HE ARG 46 -4.974 3.025 6.136
331 HH11 ARG 46 1HH1 ARG 46 -8.279 3.825 5.277
332 HH12 ARG 46 2HH1 ARG 46 -8.766 4.097 6.923
333 HH21 ARG 46 1HH2 ARG 46 -5.610 3.421 8.290
334 HH22 ARG 46 2HH2 ARG 46 -7.244 3.911 8.635
335 H PHE 47 H PHE 47 -2.038 2.419 1.482
336 HA PHE 47 HA PHE 47 -0.247 4.109 3.089
337 HB2 PHE 47 2HB PHE 47 -0.357 3.542 0.119
338 HB3 PHE 47 1HB PHE 47 0.736 4.713 0.849
339 HD1 PHE 47 1HD PHE 47 2.193 3.809 2.794
340 HD2 PHE 47 2HD PHE 47 0.368 1.371 -0.168
341 HE1 PHE 47 1HE PHE 47 3.816 2.040 3.266
342 HE2 PHE 47 2HE PHE 47 1.999 -0.417 0.294
343 HZ PHE 47 HZ PHE 47 3.729 -0.084 2.014
344 H LYS 48 H LYS 48 -0.557 6.284 3.248
345 HA LYS 48 HA LYS 48 -3.114 7.314 2.369
346 HB2 LYS 48 2HB LYS 48 -0.932 8.295 4.133
347 HB3 LYS 48 1HB LYS 48 -1.983 9.487 3.393
348 HG2 LYS 48 2HG LYS 48 -2.639 8.717 5.692
349 HG3 LYS 48 1HG LYS 48 -3.894 8.640 4.459
350 HD2 LYS 48 2HD LYS 48 -3.460 6.245 4.177
351 HD3 LYS 48 1HD LYS 48 -2.217 6.329 5.426
352 HE2 LYS 48 2HE LYS 48 -4.403 5.475 6.245
353 HE3 LYS 48 1HE LYS 48 -3.845 6.921 7.088
354 HZ1 LYS 48 3HZ LYS 48 -5.820 6.910 4.869
355 HZ2 LYS 48 1HZ LYS 48 -5.334 8.255 5.775
356 HZ3 LYS 48 2HZ LYS 48 -6.215 7.015 6.517
357 H THR 49 H THR 49 0.271 7.867 1.641
358 HA THR 49 HA THR 49 -0.549 9.111 -0.882
359 HB THR 49 HB THR 49 1.305 10.737 -0.695
360 HG1 THR 49 1HG THR 49 1.770 10.809 1.879
361 HG21 THR 49 3HG2 THR 49 0.274 12.209 1.003
362 HG22 THR 49 1HG2 THR 49 -0.681 10.840 1.577
363 HG23 THR 49 2HG2 THR 49 -0.923 11.465 -0.057
364 H LEU 50 H LEU 50 1.006 8.806 -2.593
365 HA LEU 50 HA LEU 50 2.415 6.346 -2.356
366 HB2 LEU 50 2HB LEU 50 1.726 6.428 -4.491
367 HB3 LEU 50 1HB LEU 50 1.606 8.170 -4.482
368 HG LEU 50 HG LEU 50 3.052 7.299 -6.256
369 HD11 LEU 50 1HD1 LEU 50 4.109 9.139 -4.182
370 HD12 LEU 50 2HD1 LEU 50 3.558 9.472 -5.828
371 HD13 LEU 50 3HD1 LEU 50 5.126 8.709 -5.561
372 HD21 LEU 50 3HD2 LEU 50 3.955 5.343 -5.022
373 HD22 LEU 50 1HD2 LEU 50 4.985 6.440 -4.095
374 HD23 LEU 50 2HD2 LEU 50 5.185 6.299 -5.846
375 H GLU 51 H GLU 51 3.173 9.651 -1.933
376 HA GLU 51 HA GLU 51 5.987 9.388 -2.228
377 HB2 GLU 51 2HB GLU 51 6.112 11.594 -1.127
378 HB3 GLU 51 1HB GLU 51 4.940 11.571 -2.437
379 HG2 GLU 51 2HG GLU 51 3.127 11.376 -0.843
380 HG3 GLU 51 1HG GLU 51 4.280 11.321 0.488
381 H ASP 52 H ASP 52 3.762 9.040 0.443
382 HA ASP 52 HA ASP 52 5.693 8.620 2.502
383 HB2 ASP 52 2HB ASP 52 3.300 9.086 2.968
384 HB3 ASP 52 1HB ASP 52 2.856 7.575 2.201
385 H CYS 53 H CYS 53 3.734 6.522 0.535
386 HA CYS 53 HA CYS 53 4.703 4.030 1.162
387 HB2 CYS 53 2HB CYS 53 2.800 4.182 -0.182
388 HB3 CYS 53 1HB CYS 53 3.581 5.264 -1.327
389 H GLU 54 H GLU 54 5.826 6.109 -1.531
390 HA GLU 54 HA GLU 54 7.890 4.325 -2.297
391 HB2 GLU 54 2HB GLU 54 8.608 5.986 -3.818
392 HB3 GLU 54 1HB GLU 54 6.867 6.113 -3.771
393 HG2 GLU 54 2HG GLU 54 6.988 8.081 -2.417
394 HG3 GLU 54 1HG GLU 54 8.722 7.876 -2.197
395 H ALA 55 H ALA 55 7.650 6.858 0.034
396 HA ALA 55 HA ALA 55 10.318 7.495 0.305
397 HB1 ALA 55 1HB ALA 55 8.082 7.447 2.322
398 HB2 ALA 55 2HB ALA 55 8.788 8.838 1.496
399 HB3 ALA 55 3HB ALA 55 9.711 7.988 2.735
400 H THR 56 H THR 56 8.487 5.203 2.311
401 HA THR 56 HA THR 56 10.869 4.122 3.417
402 HB THR 56 HB THR 56 8.866 4.090 4.747
403 HG1 THR 56 1HG THR 56 9.806 2.388 5.561
404 HG21 THR 56 3HG2 THR 56 7.717 2.208 2.682
405 HG22 THR 56 1HG2 THR 56 7.198 3.867 2.979
406 HG23 THR 56 2HG2 THR 56 6.963 2.634 4.218
407 H CYS 57 H CYS 57 8.703 3.028 0.850
408 HA CYS 57 HA CYS 57 9.972 0.436 0.723
409 HB2 CYS 57 2HB CYS 57 7.576 0.652 0.344
410 HB3 CYS 57 1HB CYS 57 7.861 1.726 -1.015
411 H VAL 58 H VAL 58 9.739 3.241 -1.484
412 HA VAL 58 HA VAL 58 11.331 1.996 -3.460
413 HB VAL 58 HB VAL 58 10.335 4.810 -3.115
414 HG11 VAL 58 1HG1 VAL 58 11.368 5.451 -5.215
415 HG12 VAL 58 2HG1 VAL 58 12.138 3.870 -5.350
416 HG13 VAL 58 3HG1 VAL 58 12.617 4.976 -4.059
417 HG21 VAL 58 3HG2 VAL 58 9.914 2.688 -5.226
418 HG22 VAL 58 1HG2 VAL 58 9.168 4.287 -5.212
419 HG23 VAL 58 2HG2 VAL 58 8.784 3.123 -3.944
420 H THR 59 H THR 59 12.186 4.187 -0.746
421 HA THR 59 HA THR 59 14.875 4.484 -1.614
422 HB THR 59 HB THR 59 15.441 5.064 0.680
423 HG1 THR 59 1HG THR 59 12.806 4.960 1.551
424 HG21 THR 59 3HG2 THR 59 12.872 6.383 -0.175
425 HG22 THR 59 1HG2 THR 59 14.455 6.727 -0.871
426 HG23 THR 59 2HG2 THR 59 14.143 7.087 0.828
427 H ALA 60 H ALA 60 13.280 2.224 0.519
428 HA ALA 60 HA ALA 60 15.490 0.702 1.293
429 HB1 ALA 60 1HB ALA 60 13.267 0.558 2.334
430 HB2 ALA 60 2HB ALA 60 13.922 -1.023 1.904
431 HB3 ALA 60 3HB ALA 60 12.673 -0.283 0.902
432 H GLU 61 H GLU 61 13.877 0.849 -1.723
433 HA GLU 61 HA GLU 61 14.286 -0.053 -3.739
434 HB2 GLU 61 2HB GLU 61 16.718 -1.164 -2.360
435 HB3 GLU 61 1HB GLU 61 16.462 -1.170 -4.102
436 HG2 GLU 61 2HG GLU 61 16.438 1.259 -4.112
437 HG3 GLU 61 1HG GLU 61 16.625 1.281 -2.363
Start of MODEL 9
1 H2 PRO 1 1HT PRO 1 17.102 -7.442 1.572
2 H3 PRO 1 2HT PRO 1 18.245 -6.694 2.478
3 HA PRO 1 HA PRO 1 18.018 -4.735 1.511
4 HB2 PRO 1 2HB PRO 1 16.381 -5.547 -0.784
5 HB3 PRO 1 1HB PRO 1 17.780 -4.467 -0.721
6 HG2 PRO 1 2HG PRO 1 17.701 -7.305 -1.338
7 HG3 PRO 1 1HG PRO 1 19.054 -6.171 -1.483
8 HD2 PRO 1 2HD PRO 1 19.030 -8.189 0.334
9 HD3 PRO 1 1HD PRO 1 19.844 -6.642 0.636
10 H ALA 2 H ALA 2 15.848 -3.496 0.857
11 HA ALA 2 HA ALA 2 13.769 -2.860 1.485
12 HB1 ALA 2 1HB ALA 2 13.009 -4.956 0.464
13 HB2 ALA 2 2HB ALA 2 12.021 -4.492 1.848
14 HB3 ALA 2 3HB ALA 2 13.217 -5.777 2.010
15 H GLN 3 H GLN 3 12.634 -2.208 3.319
16 HA GLN 3 HA GLN 3 14.118 -2.145 5.717
17 HB2 GLN 3 2HB GLN 3 11.210 -1.486 5.347
18 HB3 GLN 3 1HB GLN 3 12.222 -0.966 6.678
19 HG2 GLN 3 2HG GLN 3 12.601 -0.183 3.802
20 HG3 GLN 3 1HG GLN 3 11.795 0.797 5.026
21 HE21 GLN 3 1HE2 GLN 3 13.003 1.788 6.627
22 HE22 GLN 3 2HE2 GLN 3 14.727 1.948 6.526
23 H ASP 4 H ASP 4 11.051 -3.618 4.950
24 HA ASP 4 HA ASP 4 11.339 -5.771 6.810
25 HB2 ASP 4 2HB ASP 4 10.799 -3.994 8.353
26 HB3 ASP 4 1HB ASP 4 9.461 -3.466 7.365
27 H TYR 5 H TYR 5 8.830 -6.647 7.023
28 HA TYR 5 HA TYR 5 8.065 -7.387 4.390
29 HB2 TYR 5 2HB TYR 5 6.751 -7.698 7.078
30 HB3 TYR 5 1HB TYR 5 5.933 -8.180 5.594
31 HD1 TYR 5 2HD TYR 5 6.698 -10.075 4.305
32 HD2 TYR 5 1HD TYR 5 8.704 -8.930 7.879
33 HE1 TYR 5 2HE TYR 5 7.863 -12.237 4.340
34 HE2 TYR 5 1HE TYR 5 9.878 -11.091 7.917
35 HH TYR 5 HH TYR 5 9.873 -13.242 5.260
36 H ARG 6 H ARG 6 7.351 -4.674 6.370
37 HA ARG 6 HA ARG 6 4.953 -3.838 5.140
38 HB2 ARG 6 2HB ARG 6 5.392 -1.675 6.133
39 HB3 ARG 6 1HB ARG 6 5.752 -2.954 7.286
40 HG2 ARG 6 2HG ARG 6 8.142 -2.752 6.697
41 HG3 ARG 6 1HG ARG 6 7.718 -1.396 5.657
42 HD2 ARG 6 2HD ARG 6 8.501 -0.540 7.771
43 HD3 ARG 6 1HD ARG 6 6.767 -0.238 7.638
44 HE ARG 6 HE ARG 6 7.016 -2.661 8.938
45 HH11 ARG 6 1HH1 ARG 6 7.957 0.667 9.540
46 HH12 ARG 6 2HH1 ARG 6 7.960 0.471 11.271
47 HH21 ARG 6 1HH2 ARG 6 7.024 -2.902 11.186
48 HH22 ARG 6 2HH2 ARG 6 7.428 -1.551 12.204
49 H CYS 7 H CYS 7 8.059 -4.080 3.892
50 HA CYS 7 HA CYS 7 7.513 -2.123 1.769
51 HB2 CYS 7 2HB CYS 7 9.780 -2.097 2.836
52 HB3 CYS 7 1HB CYS 7 10.027 -3.744 2.265
53 H GLN 8 H GLN 8 6.167 -4.762 2.255
54 HA GLN 8 HA GLN 8 5.996 -5.468 -0.493
55 HB2 GLN 8 2HB GLN 8 6.445 -7.955 -0.048
56 HB3 GLN 8 1HB GLN 8 7.829 -6.891 -0.230
57 HG2 GLN 8 2HG GLN 8 8.126 -6.830 2.178
58 HG3 GLN 8 1HG GLN 8 6.701 -7.845 2.394
59 HE21 GLN 8 1HE2 GLN 8 10.014 -7.735 1.356
60 HE22 GLN 8 2HE2 GLN 8 10.265 -9.447 1.310
61 H LEU 9 H LEU 9 5.359 -7.662 2.193
62 HA LEU 9 HA LEU 9 3.437 -8.628 2.934
63 HB2 LEU 9 2HB LEU 9 2.579 -5.759 2.603
64 HB3 LEU 9 1HB LEU 9 1.518 -6.975 3.284
65 HG LEU 9 HG LEU 9 4.186 -6.150 4.426
66 HD11 LEU 9 1HD1 LEU 9 2.493 -4.409 4.636
67 HD12 LEU 9 2HD1 LEU 9 2.866 -5.127 6.201
68 HD13 LEU 9 3HD1 LEU 9 1.381 -5.570 5.359
69 HD21 LEU 9 3HD2 LEU 9 2.071 -8.005 5.513
70 HD22 LEU 9 1HD2 LEU 9 3.549 -7.513 6.341
71 HD23 LEU 9 2HD2 LEU 9 3.641 -8.492 4.876
72 H SER 10 H SER 10 0.783 -8.212 2.379
73 HA SER 10 HA SER 10 0.573 -8.689 -0.509
74 HB2 SER 10 2HB SER 10 -1.520 -9.889 0.051
75 HB3 SER 10 1HB SER 10 -0.091 -10.636 0.759
76 HG SER 10 HG SER 10 -1.887 -8.882 2.106
77 H ARG 11 H ARG 11 -0.458 -7.177 -1.637
78 HA ARG 11 HA ARG 11 -1.704 -4.936 -0.341
79 HB2 ARG 11 2HB ARG 11 -2.338 -4.273 -2.676
80 HB3 ARG 11 1HB ARG 11 -0.615 -4.424 -2.386
81 HG2 ARG 11 2HG ARG 11 -1.717 -6.882 -3.283
82 HG3 ARG 11 1HG ARG 11 -2.106 -5.584 -4.413
83 HD2 ARG 11 2HD ARG 11 0.335 -4.914 -4.259
84 HD3 ARG 11 1HD ARG 11 0.611 -6.445 -3.441
85 HE ARG 11 HE ARG 11 -0.562 -6.367 -6.136
86 HH11 ARG 11 1HH1 ARG 11 1.907 -7.453 -3.924
87 HH12 ARG 11 2HH1 ARG 11 2.716 -8.446 -5.096
88 HH21 ARG 11 1HH2 ARG 11 0.481 -7.644 -7.694
89 HH22 ARG 11 2HH2 ARG 11 1.894 -8.566 -7.253
90 H ASN 12 H ASN 12 -3.867 -4.412 -1.936
91 HA ASN 12 HA ASN 12 -5.755 -6.523 -1.999
92 HB2 ASN 12 2HB ASN 12 -5.455 -5.991 0.522
93 HB3 ASN 12 1HB ASN 12 -6.313 -4.507 0.178
94 HD21 ASN 12 1HD2 ASN 12 -6.513 -7.972 0.323
95 HD22 ASN 12 2HD2 ASN 12 -8.245 -8.071 0.343
96 H TYR 13 H TYR 13 -8.052 -5.046 -1.664
97 HA TYR 13 HA TYR 13 -7.862 -2.633 -3.203
98 HB2 TYR 13 2HB TYR 13 -8.040 -4.979 -4.613
99 HB3 TYR 13 1HB TYR 13 -9.712 -4.445 -4.510
100 HD1 TYR 13 2HD TYR 13 -6.313 -3.196 -5.387
101 HD2 TYR 13 1HD TYR 13 -10.499 -2.932 -6.089
102 HE1 TYR 13 2HE TYR 13 -5.894 -1.654 -7.251
103 HE2 TYR 13 1HE TYR 13 -10.092 -1.390 -7.960
104 HH TYR 13 HH TYR 13 -8.487 0.035 -8.854
105 H GLY 14 H GLY 14 -10.243 -5.103 -2.643
106 HA2 GLY 14 2HA GLY 14 -12.032 -5.093 -1.247
107 HA3 GLY 14 1HA GLY 14 -11.521 -3.553 -0.607
108 H LYS 15 H LYS 15 -14.192 -4.623 -1.497
109 HA LYS 15 HA LYS 15 -14.992 -3.130 -3.760
110 HB2 LYS 15 2HB LYS 15 -16.811 -3.791 -1.516
111 HB3 LYS 15 1HB LYS 15 -17.185 -3.711 -3.223
112 HG2 LYS 15 2HG LYS 15 -15.489 -5.783 -1.891
113 HG3 LYS 15 1HG LYS 15 -17.162 -6.007 -2.395
114 HD2 LYS 15 2HD LYS 15 -16.447 -5.542 -4.736
115 HD3 LYS 15 1HD LYS 15 -14.778 -5.476 -4.168
116 HE2 LYS 15 2HE LYS 15 -16.644 -7.840 -4.089
117 HE3 LYS 15 1HE LYS 15 -15.198 -7.656 -5.078
118 HZ1 LYS 15 3HZ LYS 15 -13.870 -7.624 -3.039
119 HZ2 LYS 15 1HZ LYS 15 -14.757 -9.061 -3.180
120 HZ3 LYS 15 2HZ LYS 15 -15.274 -7.852 -2.112
121 H GLY 16 H GLY 16 -15.599 -2.669 -0.376
122 HA2 GLY 16 2HA GLY 16 -14.829 -0.670 0.706
123 HA3 GLY 16 1HA GLY 16 -15.139 0.206 -0.775
124 H SER 17 H SER 17 -16.364 -0.727 2.236
125 HA SER 17 HA SER 17 -19.113 -0.151 1.795
126 HB2 SER 17 2HB SER 17 -19.036 0.314 4.315
127 HB3 SER 17 1HB SER 17 -18.576 -1.310 3.805
128 HG SER 17 HG SER 17 -17.018 0.750 4.871
129 H GLY 18 H GLY 18 -16.309 1.637 2.747
130 HA2 GLY 18 2HA GLY 18 -17.486 4.074 1.639
131 HA3 GLY 18 1HA GLY 18 -16.797 4.134 3.260
132 H SER 19 H SER 19 -16.110 3.511 -0.103
133 HA SER 19 HA SER 19 -13.443 2.846 -0.005
134 HB2 SER 19 2HB SER 19 -13.371 4.039 -2.287
135 HB3 SER 19 1HB SER 19 -14.376 2.604 -2.088
136 HG SER 19 HG SER 19 -15.328 5.270 -1.781
137 H PHE 20 H PHE 20 -11.810 3.783 0.795
138 HA PHE 20 HA PHE 20 -11.839 6.616 1.445
139 HB2 PHE 20 2HB PHE 20 -11.193 4.582 2.971
140 HB3 PHE 20 1HB PHE 20 -9.656 4.714 2.144
141 HD1 PHE 20 2HD PHE 20 -12.091 6.762 4.060
142 HD2 PHE 20 1HD PHE 20 -8.026 6.135 2.961
143 HE1 PHE 20 2HE PHE 20 -11.397 8.524 5.630
144 HE2 PHE 20 1HE PHE 20 -7.326 7.895 4.529
145 HZ PHE 20 HZ PHE 20 -9.013 9.090 5.866
146 H THR 21 H THR 21 -10.013 4.225 -0.222
147 HA THR 21 HA THR 21 -8.480 4.248 -1.893
148 HB THR 21 HB THR 21 -8.955 7.159 -2.361
149 HG1 THR 21 1HG THR 21 -10.818 6.712 -3.401
150 HG21 THR 21 3HG2 THR 21 -8.632 5.075 -4.463
151 HG22 THR 21 1HG2 THR 21 -7.217 5.564 -3.526
152 HG23 THR 21 2HG2 THR 21 -8.117 6.763 -4.463
153 H ASN 22 H ASN 22 -6.803 3.887 -0.622
154 HA ASN 22 HA ASN 22 -4.984 6.162 -0.217
155 HB2 ASN 22 2HB ASN 22 -5.798 4.043 1.691
156 HB3 ASN 22 1HB ASN 22 -4.069 4.364 1.601
157 HD21 ASN 22 1HD2 ASN 22 -6.342 6.908 0.925
158 HD22 ASN 22 2HD2 ASN 22 -6.065 7.799 2.385
159 H TYR 23 H TYR 23 -2.650 4.951 0.084
160 HA TYR 23 HA TYR 23 -2.478 3.562 -2.462
161 HB2 TYR 23 2HB TYR 23 -0.386 4.952 -0.780
162 HB3 TYR 23 1HB TYR 23 0.004 4.015 -2.216
163 HD1 TYR 23 1HD TYR 23 -2.051 6.886 -1.068
164 HD2 TYR 23 2HD TYR 23 -0.057 5.001 -4.310
165 HE1 TYR 23 1HE TYR 23 -2.493 8.860 -2.480
166 HE2 TYR 23 2HE TYR 23 -0.491 6.955 -5.730
167 HH TYR 23 HH TYR 23 -1.475 9.918 -4.554
168 H TYR 24 H TYR 24 -1.004 1.848 -2.730
169 HA TYR 24 HA TYR 24 -0.081 0.346 -0.400
170 HB2 TYR 24 2HB TYR 24 -1.069 -1.700 -1.080
171 HB3 TYR 24 1HB TYR 24 -2.374 -0.523 -1.144
172 HD1 TYR 24 2HD TYR 24 -3.139 0.333 -3.386
173 HD2 TYR 24 1HD TYR 24 -0.346 -2.850 -3.014
174 HE1 TYR 24 2HE TYR 24 -3.574 -0.335 -5.716
175 HE2 TYR 24 1HE TYR 24 -0.758 -3.509 -5.287
176 HH TYR 24 HH TYR 24 -2.285 -1.591 -7.544
177 H TYR 25 H TYR 25 1.827 -0.842 -0.951
178 HA TYR 25 HA TYR 25 3.041 0.064 -3.426
179 HB2 TYR 25 2HB TYR 25 4.369 0.151 -1.367
180 HB3 TYR 25 1HB TYR 25 4.194 -1.582 -1.187
181 HD1 TYR 25 1HD TYR 25 5.435 -3.125 -2.634
182 HD2 TYR 25 2HD TYR 25 5.898 1.090 -2.981
183 HE1 TYR 25 1HE TYR 25 7.482 -3.463 -3.950
184 HE2 TYR 25 2HE TYR 25 7.944 0.761 -4.298
185 HH TYR 25 HH TYR 25 8.797 -2.158 -5.668
186 H ASP 26 H ASP 26 3.280 -1.090 -5.189
187 HA ASP 26 HA ASP 26 2.555 -3.945 -5.107
188 HB2 ASP 26 2HB ASP 26 0.769 -2.684 -6.134
189 HB3 ASP 26 1HB ASP 26 1.908 -1.846 -7.178
190 H LYS 27 H LYS 27 4.350 -5.126 -5.489
191 HA LYS 27 HA LYS 27 6.518 -3.992 -6.967
192 HB2 LYS 27 2HB LYS 27 7.283 -6.559 -6.490
193 HB3 LYS 27 1HB LYS 27 7.584 -5.190 -5.427
194 HG2 LYS 27 2HG LYS 27 5.299 -5.712 -4.459
195 HG3 LYS 27 1HG LYS 27 5.463 -7.281 -5.248
196 HD2 LYS 27 2HD LYS 27 6.241 -7.466 -2.962
197 HD3 LYS 27 1HD LYS 27 7.620 -7.604 -4.055
198 HE2 LYS 27 2HE LYS 27 7.145 -4.858 -3.368
199 HE3 LYS 27 1HE LYS 27 7.307 -5.832 -1.904
200 HZ1 LYS 27 3HZ LYS 27 9.275 -5.607 -4.128
201 HZ2 LYS 27 1HZ LYS 27 9.404 -6.728 -2.859
202 HZ3 LYS 27 2HZ LYS 27 9.469 -5.064 -2.535
203 H ALA 28 H ALA 28 3.911 -4.842 -8.314
204 HA ALA 28 HA ALA 28 5.162 -6.443 -10.433
205 HB1 ALA 28 1HB ALA 28 2.305 -5.500 -10.158
206 HB2 ALA 28 2HB ALA 28 2.897 -7.114 -9.764
207 HB3 ALA 28 3HB ALA 28 2.932 -6.545 -11.434
208 H THR 29 H THR 29 4.117 -3.297 -9.512
209 HA THR 29 HA THR 29 5.075 -2.224 -12.084
210 HB THR 29 HB THR 29 2.789 -1.511 -11.554
211 HG1 THR 29 1HG THR 29 4.912 0.253 -11.736
212 HG21 THR 29 3HG2 THR 29 3.977 -0.311 -9.048
213 HG22 THR 29 1HG2 THR 29 2.901 -1.709 -9.111
214 HG23 THR 29 2HG2 THR 29 2.313 -0.119 -9.601
215 H SER 30 H SER 30 6.062 -2.949 -9.086
216 HA SER 30 HA SER 30 7.817 -2.433 -7.767
217 HB2 SER 30 2HB SER 30 8.747 -1.051 -10.283
218 HB3 SER 30 1HB SER 30 9.773 -1.405 -8.892
219 HG SER 30 HG SER 30 8.646 -3.148 -10.790
220 H SER 31 H SER 31 5.533 -0.659 -7.655
221 HA SER 31 HA SER 31 6.694 1.477 -6.180
222 HB2 SER 31 2HB SER 31 5.478 3.239 -7.680
223 HB3 SER 31 1HB SER 31 7.083 2.660 -8.133
224 HG SER 31 HG SER 31 6.046 1.180 -9.557
225 H CYS 32 H CYS 32 4.762 3.210 -5.836
226 HA CYS 32 HA CYS 32 2.742 1.575 -4.512
227 HB2 CYS 32 2HB CYS 32 3.361 4.527 -4.294
228 HB3 CYS 32 1HB CYS 32 2.316 3.606 -3.210
229 H LYS 33 H LYS 33 0.674 1.453 -5.149
230 HA LYS 33 HA LYS 33 -0.447 3.625 -6.799
231 HB2 LYS 33 2HB LYS 33 -0.084 1.546 -8.136
232 HB3 LYS 33 1HB LYS 33 -1.153 0.686 -7.053
233 HG2 LYS 33 2HG LYS 33 -2.301 1.256 -9.099
234 HG3 LYS 33 1HG LYS 33 -3.003 2.135 -7.747
235 HD2 LYS 33 2HD LYS 33 -0.934 3.380 -9.533
236 HD3 LYS 33 1HD LYS 33 -2.644 3.404 -9.943
237 HE2 LYS 33 2HE LYS 33 -3.005 4.429 -7.656
238 HE3 LYS 33 1HE LYS 33 -1.263 4.652 -7.584
239 HZ1 LYS 33 3HZ LYS 33 -3.086 5.790 -9.636
240 HZ2 LYS 33 1HZ LYS 33 -1.401 5.980 -9.614
241 HZ3 LYS 33 2HZ LYS 33 -2.344 6.645 -8.372
242 H THR 34 H THR 34 -3.142 2.691 -6.665
243 HA THR 34 HA THR 34 -3.546 3.083 -3.775
244 HB THR 34 HB THR 34 -5.689 4.287 -4.551
245 HG1 THR 34 1HG THR 34 -5.369 3.866 -6.808
246 HG21 THR 34 3HG2 THR 34 -2.990 5.587 -4.780
247 HG22 THR 34 1HG2 THR 34 -3.896 5.311 -3.289
248 HG23 THR 34 2HG2 THR 34 -4.523 6.420 -4.514
249 H PHE 35 H PHE 35 -5.705 2.641 -2.980
250 HA PHE 35 HA PHE 35 -7.411 0.779 -4.352
251 HB2 PHE 35 2HB PHE 35 -6.988 -1.172 -3.129
252 HB3 PHE 35 1HB PHE 35 -5.374 -0.575 -3.476
253 HD1 PHE 35 1HD PHE 35 -5.031 1.497 -1.366
254 HD2 PHE 35 2HD PHE 35 -6.796 -2.380 -1.217
255 HE1 PHE 35 1HE PHE 35 -4.522 1.336 1.041
256 HE2 PHE 35 2HE PHE 35 -6.278 -2.534 1.177
257 HZ PHE 35 HZ PHE 35 -5.136 -0.673 2.309
258 H ARG 36 H ARG 36 -9.224 0.209 -2.999
259 HA ARG 36 HA ARG 36 -10.263 2.598 -1.965
260 HB2 ARG 36 2HB ARG 36 -11.237 -0.219 -2.009
261 HB3 ARG 36 1HB ARG 36 -12.236 1.129 -1.497
262 HG2 ARG 36 2HG ARG 36 -11.047 0.656 -4.213
263 HG3 ARG 36 1HG ARG 36 -12.755 0.587 -3.772
264 HD2 ARG 36 2HD ARG 36 -12.604 3.001 -3.145
265 HD3 ARG 36 1HD ARG 36 -10.968 3.011 -3.812
266 HE ARG 36 HE ARG 36 -12.763 1.984 -5.730
267 HH11 ARG 36 1HH1 ARG 36 -11.772 4.997 -4.224
268 HH12 ARG 36 2HH1 ARG 36 -12.349 5.983 -5.537
269 HH21 ARG 36 1HH2 ARG 36 -13.486 3.277 -7.458
270 HH22 ARG 36 2HH2 ARG 36 -13.302 5.002 -7.381
271 H TYR 37 H TYR 37 -8.744 -0.106 -0.550
272 HA TYR 37 HA TYR 37 -8.017 -0.588 1.518
273 HB2 TYR 37 2HB TYR 37 -7.494 1.776 1.842
274 HB3 TYR 37 1HB TYR 37 -9.162 2.096 2.316
275 HD1 TYR 37 1HD TYR 37 -6.347 -0.183 3.294
276 HD2 TYR 37 2HD TYR 37 -9.575 2.277 4.573
277 HE1 TYR 37 1HE TYR 37 -5.746 -0.618 5.639
278 HE2 TYR 37 2HE TYR 37 -8.983 1.847 6.919
279 HH TYR 37 HH TYR 37 -6.051 0.474 7.857
280 H ARG 38 H ARG 38 -11.191 -0.118 0.697
281 HA ARG 38 HA ARG 38 -13.149 -1.092 1.308
282 HB2 ARG 38 2HB ARG 38 -11.326 -2.411 3.248
283 HB3 ARG 38 1HB ARG 38 -13.052 -2.465 3.571
284 HG2 ARG 38 2HG ARG 38 -13.440 -3.546 1.438
285 HG3 ARG 38 1HG ARG 38 -11.721 -3.428 1.050
286 HD2 ARG 38 2HD ARG 38 -12.493 -5.665 1.919
287 HD3 ARG 38 1HD ARG 38 -11.131 -4.937 2.772
288 HE ARG 38 HE ARG 38 -13.354 -4.126 4.160
289 HH11 ARG 38 1HH1 ARG 38 -12.021 -7.225 3.224
290 HH12 ARG 38 2HH1 ARG 38 -12.604 -8.043 4.651
291 HH21 ARG 38 1HH2 ARG 38 -14.084 -5.182 6.052
292 HH22 ARG 38 2HH2 ARG 38 -13.756 -6.878 6.266
293 H GLY 39 H GLY 39 -11.305 0.123 4.079
294 HA2 GLY 39 2HA GLY 39 -11.899 1.982 5.406
295 HA3 GLY 39 1HA GLY 39 -13.537 1.889 4.763
296 H SER 40 H SER 40 -14.443 -0.466 5.231
297 HA SER 40 HA SER 40 -14.373 -0.814 8.122
298 HB2 SER 40 2HB SER 40 -16.537 -0.693 6.783
299 HB3 SER 40 1HB SER 40 -16.114 -2.266 6.115
300 HG SER 40 HG SER 40 -16.361 -1.725 8.899
301 H GLY 41 H GLY 41 -12.021 -1.470 7.324
302 HA2 GLY 41 2HA GLY 41 -11.199 -3.811 8.154
303 HA3 GLY 41 1HA GLY 41 -11.912 -4.311 6.626
304 H GLY 42 H GLY 42 -9.776 -5.025 5.991
305 HA2 GLY 42 2HA GLY 42 -8.503 -3.850 4.063
306 HA3 GLY 42 1HA GLY 42 -7.909 -2.836 5.371
307 H ASN 43 H ASN 43 -6.627 -4.837 3.469
308 HA ASN 43 HA ASN 43 -5.368 -6.545 5.511
309 HB2 ASN 43 2HB ASN 43 -6.530 -7.814 3.736
310 HB3 ASN 43 1HB ASN 43 -5.558 -6.996 2.518
311 HD21 ASN 43 1HD2 ASN 43 -4.364 -8.137 5.631
312 HD22 ASN 43 2HD2 ASN 43 -3.321 -9.352 4.982
313 H GLY 44 H GLY 44 -3.245 -6.300 5.884
314 HA2 GLY 44 2HA GLY 44 -1.003 -5.856 5.324
315 HA3 GLY 44 1HA GLY 44 -1.550 -5.032 3.872
316 H ASN 45 H ASN 45 -0.303 -3.213 4.251
317 HA ASN 45 HA ASN 45 -1.085 -1.611 6.592
318 HB2 ASN 45 2HB ASN 45 1.501 -1.729 5.048
319 HB3 ASN 45 1HB ASN 45 1.095 -0.340 6.049
320 HD21 ASN 45 1HD2 ASN 45 2.766 -0.655 7.458
321 HD22 ASN 45 2HD2 ASN 45 2.810 -1.972 8.595
322 H ARG 46 H ARG 46 -2.030 0.295 6.269
323 HA ARG 46 HA ARG 46 -2.687 1.038 3.548
324 HB2 ARG 46 2HB ARG 46 -4.525 1.153 5.036
325 HB3 ARG 46 1HB ARG 46 -3.594 2.031 6.245
326 HG2 ARG 46 2HG ARG 46 -3.554 3.988 4.812
327 HG3 ARG 46 1HG ARG 46 -4.415 3.102 3.556
328 HD2 ARG 46 2HD ARG 46 -5.911 4.566 4.834
329 HD3 ARG 46 1HD ARG 46 -6.349 2.867 4.993
330 HE ARG 46 HE ARG 46 -4.735 3.368 7.156
331 HH11 ARG 46 1HH1 ARG 46 -7.693 4.741 5.880
332 HH12 ARG 46 2HH1 ARG 46 -8.315 5.199 7.430
333 HH21 ARG 46 1HH2 ARG 46 -5.548 3.985 9.218
334 HH22 ARG 46 2HH2 ARG 46 -7.091 4.780 9.327
335 H PHE 47 H PHE 47 -1.780 2.603 2.419
336 HA PHE 47 HA PHE 47 0.149 4.372 3.782
337 HB2 PHE 47 2HB PHE 47 0.077 3.282 0.966
338 HB3 PHE 47 1HB PHE 47 1.166 4.569 1.465
339 HD1 PHE 47 1HD PHE 47 2.536 4.006 3.660
340 HD2 PHE 47 2HD PHE 47 0.870 1.132 1.008
341 HE1 PHE 47 1HE PHE 47 4.144 2.339 4.467
342 HE2 PHE 47 2HE PHE 47 2.478 -0.549 1.809
343 HZ PHE 47 HZ PHE 47 4.123 0.054 3.543
344 H LYS 48 H LYS 48 -0.536 6.412 3.954
345 HA LYS 48 HA LYS 48 -2.985 7.226 2.773
346 HB2 LYS 48 2HB LYS 48 -0.892 8.703 4.368
347 HB3 LYS 48 1HB LYS 48 -2.323 9.506 3.750
348 HG2 LYS 48 2HG LYS 48 -2.530 8.845 6.111
349 HG3 LYS 48 1HG LYS 48 -3.750 8.088 5.089
350 HD2 LYS 48 2HD LYS 48 -2.819 6.004 5.286
351 HD3 LYS 48 1HD LYS 48 -1.208 6.634 5.602
352 HE2 LYS 48 2HE LYS 48 -3.534 6.745 7.517
353 HE3 LYS 48 1HE LYS 48 -2.221 5.570 7.582
354 HZ1 LYS 48 3HZ LYS 48 -2.012 8.510 7.965
355 HZ2 LYS 48 1HZ LYS 48 -0.671 7.474 7.843
356 HZ3 LYS 48 2HZ LYS 48 -1.765 7.303 9.128
357 H THR 49 H THR 49 0.371 7.940 2.128
358 HA THR 49 HA THR 49 -0.423 9.091 -0.453
359 HB THR 49 HB THR 49 1.602 10.554 -0.288
360 HG1 THR 49 1HG THR 49 2.125 10.873 2.133
361 HG21 THR 49 3HG2 THR 49 0.572 12.232 1.163
362 HG22 THR 49 1HG2 THR 49 -0.482 10.997 1.854
363 HG23 THR 49 2HG2 THR 49 -0.643 11.445 0.156
364 H LEU 50 H LEU 50 1.287 8.863 -2.116
365 HA LEU 50 HA LEU 50 2.529 6.281 -1.872
366 HB2 LEU 50 2HB LEU 50 2.129 6.236 -4.047
367 HB3 LEU 50 1HB LEU 50 1.611 7.900 -3.995
368 HG LEU 50 HG LEU 50 3.178 7.554 -5.781
369 HD11 LEU 50 1HD1 LEU 50 4.343 9.207 -3.571
370 HD12 LEU 50 2HD1 LEU 50 3.251 9.729 -4.854
371 HD13 LEU 50 3HD1 LEU 50 4.900 9.237 -5.243
372 HD21 LEU 50 3HD2 LEU 50 4.398 5.644 -5.001
373 HD22 LEU 50 1HD2 LEU 50 5.143 6.586 -3.703
374 HD23 LEU 50 2HD2 LEU 50 5.523 6.945 -5.391
375 H GLU 51 H GLU 51 3.395 9.580 -1.561
376 HA GLU 51 HA GLU 51 6.204 9.268 -1.721
377 HB2 GLU 51 2HB GLU 51 6.345 11.391 -0.457
378 HB3 GLU 51 1HB GLU 51 5.258 11.482 -1.835
379 HG2 GLU 51 2HG GLU 51 3.349 11.416 -0.455
380 HG3 GLU 51 1HG GLU 51 4.301 10.969 0.962
381 H ASP 52 H ASP 52 3.920 8.895 0.895
382 HA ASP 52 HA ASP 52 5.810 8.349 2.956
383 HB2 ASP 52 2HB ASP 52 3.447 8.952 3.398
384 HB3 ASP 52 1HB ASP 52 2.927 7.452 2.651
385 H CYS 53 H CYS 53 3.737 6.327 0.986
386 HA CYS 53 HA CYS 53 4.642 3.811 1.674
387 HB2 CYS 53 2HB CYS 53 2.677 4.085 0.343
388 HB3 CYS 53 1HB CYS 53 3.573 4.918 -0.924
389 H GLU 54 H GLU 54 5.869 5.951 -0.901
390 HA GLU 54 HA GLU 54 7.860 4.080 -1.739
391 HB2 GLU 54 2HB GLU 54 8.615 5.731 -3.248
392 HB3 GLU 54 1HB GLU 54 6.872 5.912 -3.197
393 HG2 GLU 54 2HG GLU 54 7.034 7.870 -1.880
394 HG3 GLU 54 1HG GLU 54 8.738 7.585 -1.547
395 H ALA 55 H ALA 55 7.666 6.600 0.615
396 HA ALA 55 HA ALA 55 10.340 7.228 0.856
397 HB1 ALA 55 1HB ALA 55 8.154 7.142 2.932
398 HB2 ALA 55 2HB ALA 55 8.815 8.551 2.101
399 HB3 ALA 55 3HB ALA 55 9.788 7.695 3.298
400 H THR 56 H THR 56 8.522 4.926 2.845
401 HA THR 56 HA THR 56 10.823 3.771 3.982
402 HB THR 56 HB THR 56 8.830 3.534 5.219
403 HG1 THR 56 1HG THR 56 9.825 1.689 5.666
404 HG21 THR 56 3HG2 THR 56 7.608 2.100 2.856
405 HG22 THR 56 1HG2 THR 56 7.206 3.730 3.399
406 HG23 THR 56 2HG2 THR 56 6.843 2.343 4.426
407 H CYS 57 H CYS 57 8.753 2.608 1.320
408 HA CYS 57 HA CYS 57 10.274 0.152 1.257
409 HB2 CYS 57 2HB CYS 57 7.765 0.297 0.945
410 HB3 CYS 57 1HB CYS 57 8.093 0.937 -0.663
411 H VAL 58 H VAL 58 9.868 2.986 -0.846
412 HA VAL 58 HA VAL 58 11.326 1.796 -2.988
413 HB VAL 58 HB VAL 58 10.253 4.559 -2.528
414 HG11 VAL 58 1HG1 VAL 58 12.485 4.856 -3.555
415 HG12 VAL 58 2HG1 VAL 58 11.173 5.302 -4.651
416 HG13 VAL 58 3HG1 VAL 58 12.009 3.762 -4.856
417 HG21 VAL 58 3HG2 VAL 58 8.737 2.860 -3.347
418 HG22 VAL 58 1HG2 VAL 58 9.852 2.459 -4.656
419 HG23 VAL 58 2HG2 VAL 58 9.061 4.034 -4.622
420 H THR 59 H THR 59 12.263 3.888 -0.248
421 HA THR 59 HA THR 59 14.891 4.306 -1.291
422 HB THR 59 HB THR 59 15.561 4.849 1.009
423 HG1 THR 59 1HG THR 59 12.897 4.740 1.862
424 HG21 THR 59 3HG2 THR 59 13.596 6.686 1.189
425 HG22 THR 59 1HG2 THR 59 13.375 6.136 -0.471
426 HG23 THR 59 2HG2 THR 59 14.933 6.791 0.039
427 H ALA 60 H ALA 60 13.453 2.037 0.924
428 HA ALA 60 HA ALA 60 15.608 0.490 1.658
429 HB1 ALA 60 1HB ALA 60 12.839 -0.518 1.064
430 HB2 ALA 60 2HB ALA 60 13.332 0.270 2.563
431 HB3 ALA 60 3HB ALA 60 14.039 -1.280 2.108
432 H GLU 61 H GLU 61 13.579 0.149 -1.186
433 HA GLU 61 HA GLU 61 13.761 -0.980 -3.127
434 HB2 GLU 61 2HB GLU 61 16.682 -0.890 -2.407
435 HB3 GLU 61 1HB GLU 61 16.079 -1.477 -3.952
436 HG2 GLU 61 2HG GLU 61 14.997 0.759 -4.265
437 HG3 GLU 61 1HG GLU 61 15.855 1.300 -2.825
Start of MODEL 10
1 H2 PRO 1 1HT PRO 1 20.679 -2.567 1.313
2 H3 PRO 1 2HT PRO 1 21.644 -3.648 2.078
3 HA PRO 1 HA PRO 1 20.726 -3.426 4.009
4 HB2 PRO 1 2HB PRO 1 19.402 -0.868 3.902
5 HB3 PRO 1 1HB PRO 1 20.683 -1.406 4.998
6 HG2 PRO 1 2HG PRO 1 20.885 0.106 2.474
7 HG3 PRO 1 1HG PRO 1 22.014 0.032 3.839
8 HD2 PRO 1 2HD PRO 1 22.604 -1.147 1.514
9 HD3 PRO 1 1HD PRO 1 23.033 -1.913 3.056
10 H ALA 2 H ALA 2 18.996 -4.682 4.030
11 HA ALA 2 HA ALA 2 16.982 -4.495 1.989
12 HB1 ALA 2 1HB ALA 2 17.750 -6.663 2.868
13 HB2 ALA 2 2HB ALA 2 16.008 -6.455 3.041
14 HB3 ALA 2 3HB ALA 2 17.063 -6.256 4.440
15 H GLN 3 H GLN 3 14.688 -4.300 2.434
16 HA GLN 3 HA GLN 3 14.211 -2.182 4.351
17 HB2 GLN 3 2HB GLN 3 11.783 -2.720 3.144
18 HB3 GLN 3 1HB GLN 3 12.923 -1.473 2.670
19 HG2 GLN 3 2HG GLN 3 12.348 -2.654 0.713
20 HG3 GLN 3 1HG GLN 3 13.983 -3.154 1.140
21 HE21 GLN 3 1HE2 GLN 3 10.714 -4.123 0.725
22 HE22 GLN 3 2HE2 GLN 3 10.947 -5.816 0.989
23 H ASP 4 H ASP 4 11.564 -4.208 3.650
24 HA ASP 4 HA ASP 4 11.581 -5.988 5.807
25 HB2 ASP 4 2HB ASP 4 11.470 -3.694 7.000
26 HB3 ASP 4 1HB ASP 4 9.847 -3.583 6.365
27 H TYR 5 H TYR 5 8.843 -5.977 6.394
28 HA TYR 5 HA TYR 5 7.748 -6.829 3.844
29 HB2 TYR 5 2HB TYR 5 6.457 -6.731 6.580
30 HB3 TYR 5 1HB TYR 5 5.771 -7.483 5.144
31 HD1 TYR 5 2HD TYR 5 6.877 -9.510 4.178
32 HD2 TYR 5 1HD TYR 5 8.037 -7.869 7.930
33 HE1 TYR 5 2HE TYR 5 8.004 -11.621 4.747
34 HE2 TYR 5 1HE TYR 5 9.172 -9.972 8.504
35 HH TYR 5 HH TYR 5 8.986 -12.398 7.852
36 H ARG 6 H ARG 6 7.748 -4.086 5.861
37 HA ARG 6 HA ARG 6 5.321 -2.857 5.273
38 HB2 ARG 6 2HB ARG 6 6.360 -0.798 6.016
39 HB3 ARG 6 1HB ARG 6 6.859 -2.130 7.051
40 HG2 ARG 6 2HG ARG 6 8.986 -2.261 5.926
41 HG3 ARG 6 1HG ARG 6 8.479 -1.027 4.778
42 HD2 ARG 6 2HD ARG 6 9.884 0.025 6.392
43 HD3 ARG 6 1HD ARG 6 8.230 0.548 6.701
44 HE ARG 6 HE ARG 6 8.993 -1.727 8.272
45 HH11 ARG 6 1HH1 ARG 6 9.150 1.762 8.066
46 HH12 ARG 6 2HH1 ARG 6 9.342 1.989 9.779
47 HH21 ARG 6 1HH2 ARG 6 9.303 -1.444 10.519
48 HH22 ARG 6 2HH2 ARG 6 9.442 0.165 11.173
49 H CYS 7 H CYS 7 7.979 -3.392 3.226
50 HA CYS 7 HA CYS 7 7.064 -1.340 1.344
51 HB2 CYS 7 2HB CYS 7 9.422 -1.205 1.786
52 HB3 CYS 7 1HB CYS 7 9.628 -2.927 1.506
53 H GLN 8 H GLN 8 7.423 -4.786 1.787
54 HA GLN 8 HA GLN 8 6.497 -5.240 -0.953
55 HB2 GLN 8 2HB GLN 8 7.012 -7.674 -0.428
56 HB3 GLN 8 1HB GLN 8 8.384 -6.582 -0.538
57 HG2 GLN 8 2HG GLN 8 8.487 -6.480 1.908
58 HG3 GLN 8 1HG GLN 8 7.114 -7.579 2.004
59 HE21 GLN 8 1HE2 GLN 8 9.524 -7.951 -0.466
60 HE22 GLN 8 2HE2 GLN 8 10.259 -9.379 0.184
61 H LEU 9 H LEU 9 5.831 -7.517 1.635
62 HA LEU 9 HA LEU 9 3.885 -8.534 2.228
63 HB2 LEU 9 2HB LEU 9 3.356 -5.606 2.517
64 HB3 LEU 9 1HB LEU 9 2.048 -6.731 2.803
65 HG LEU 9 HG LEU 9 4.678 -6.689 4.276
66 HD11 LEU 9 1HD1 LEU 9 3.230 -4.809 4.847
67 HD12 LEU 9 2HD1 LEU 9 3.334 -5.960 6.180
68 HD13 LEU 9 3HD1 LEU 9 1.897 -5.922 5.158
69 HD21 LEU 9 3HD2 LEU 9 2.227 -8.404 4.677
70 HD22 LEU 9 1HD2 LEU 9 3.648 -8.373 5.722
71 HD23 LEU 9 2HD2 LEU 9 3.788 -8.951 4.062
72 H SER 10 H SER 10 1.189 -7.598 1.786
73 HA SER 10 HA SER 10 0.963 -7.617 -1.134
74 HB2 SER 10 2HB SER 10 -1.028 -9.065 -0.868
75 HB3 SER 10 1HB SER 10 0.451 -9.859 -0.331
76 HG SER 10 HG SER 10 -1.497 -8.606 1.322
77 H ARG 11 H ARG 11 -0.895 -6.487 -1.923
78 HA ARG 11 HA ARG 11 -2.071 -4.528 -0.173
79 HB2 ARG 11 2HB ARG 11 -3.551 -4.045 -2.135
80 HB3 ARG 11 1HB ARG 11 -1.830 -3.883 -2.466
81 HG2 ARG 11 2HG ARG 11 -3.056 -6.485 -2.976
82 HG3 ARG 11 1HG ARG 11 -3.497 -5.180 -4.068
83 HD2 ARG 11 2HD ARG 11 -1.343 -4.962 -4.867
84 HD3 ARG 11 1HD ARG 11 -0.624 -5.638 -3.407
85 HE ARG 11 HE ARG 11 -1.758 -7.806 -4.288
86 HH11 ARG 11 1HH1 ARG 11 -0.292 -5.313 -6.262
87 HH12 ARG 11 2HH1 ARG 11 0.274 -6.416 -7.480
88 HH21 ARG 11 1HH2 ARG 11 -1.060 -9.262 -5.901
89 HH22 ARG 11 2HH2 ARG 11 -0.195 -8.659 -7.286
90 H ASN 12 H ASN 12 -4.817 -4.687 -0.970
91 HA ASN 12 HA ASN 12 -5.711 -6.643 0.851
92 HB2 ASN 12 2HB ASN 12 -7.968 -6.068 0.014
93 HB3 ASN 12 1HB ASN 12 -7.047 -4.694 0.550
94 HD21 ASN 12 1HD2 ASN 12 -8.758 -6.142 -1.986
95 HD22 ASN 12 2HD2 ASN 12 -8.433 -4.959 -3.211
96 H TYR 13 H TYR 13 -7.134 -8.331 0.441
97 HA TYR 13 HA TYR 13 -6.609 -9.684 -2.120
98 HB2 TYR 13 2HB TYR 13 -5.866 -10.563 0.389
99 HB3 TYR 13 1HB TYR 13 -7.327 -11.483 0.047
100 HD1 TYR 13 2HD TYR 13 -3.929 -10.683 -1.207
101 HD2 TYR 13 1HD TYR 13 -7.315 -13.240 -1.521
102 HE1 TYR 13 2HE TYR 13 -2.629 -12.219 -2.623
103 HE2 TYR 13 1HE TYR 13 -6.028 -14.784 -2.933
104 HH TYR 13 HH TYR 13 -2.619 -14.511 -3.331
105 H GLY 14 H GLY 14 -8.840 -9.179 0.510
106 HA2 GLY 14 2HA GLY 14 -11.084 -9.944 -1.215
107 HA3 GLY 14 1HA GLY 14 -11.181 -9.548 0.501
108 H LYS 15 H LYS 15 -12.946 -8.093 -0.093
109 HA LYS 15 HA LYS 15 -12.005 -5.652 -1.364
110 HB2 LYS 15 2HB LYS 15 -14.645 -5.261 -1.189
111 HB3 LYS 15 1HB LYS 15 -13.864 -6.015 -2.570
112 HG2 LYS 15 2HG LYS 15 -14.270 -8.201 -1.543
113 HG3 LYS 15 1HG LYS 15 -15.157 -7.406 -0.242
114 HD2 LYS 15 2HD LYS 15 -16.653 -6.426 -2.021
115 HD3 LYS 15 1HD LYS 15 -15.865 -7.511 -3.170
116 HE2 LYS 15 2HE LYS 15 -17.952 -8.472 -2.352
117 HE3 LYS 15 1HE LYS 15 -16.570 -9.437 -1.835
118 HZ1 LYS 15 3HZ LYS 15 -17.899 -7.392 -0.142
119 HZ2 LYS 15 1HZ LYS 15 -16.697 -8.487 0.342
120 HZ3 LYS 15 2HZ LYS 15 -18.245 -9.051 -0.067
121 H GLY 16 H GLY 16 -14.779 -5.817 0.700
122 HA2 GLY 16 2HA GLY 16 -14.023 -5.246 3.183
123 HA3 GLY 16 1HA GLY 16 -13.653 -3.727 2.381
124 H SER 17 H SER 17 -15.188 -2.275 2.845
125 HA SER 17 HA SER 17 -17.964 -3.216 2.934
126 HB2 SER 17 2HB SER 17 -18.423 -1.189 4.317
127 HB3 SER 17 1HB SER 17 -17.289 -2.313 5.064
128 HG SER 17 HG SER 17 -15.646 -0.935 4.696
129 H GLY 18 H GLY 18 -16.819 0.083 2.600
130 HA2 GLY 18 2HA GLY 18 -18.358 0.261 0.098
131 HA3 GLY 18 1HA GLY 18 -18.093 1.595 1.211
132 H SER 19 H SER 19 -16.526 2.977 0.736
133 HA SER 19 HA SER 19 -14.178 2.212 -0.720
134 HB2 SER 19 2HB SER 19 -14.707 3.796 -2.625
135 HB3 SER 19 1HB SER 19 -15.576 2.268 -2.601
136 HG SER 19 HG SER 19 -17.135 3.784 -1.272
137 H PHE 20 H PHE 20 -12.797 4.015 -1.226
138 HA PHE 20 HA PHE 20 -13.087 6.612 -0.169
139 HB2 PHE 20 2HB PHE 20 -12.754 5.113 1.923
140 HB3 PHE 20 1HB PHE 20 -11.121 4.912 1.341
141 HD1 PHE 20 2HD PHE 20 -13.527 7.696 1.963
142 HD2 PHE 20 1HD PHE 20 -9.534 6.257 2.286
143 HE1 PHE 20 2HE PHE 20 -12.871 9.781 3.092
144 HE2 PHE 20 1HE PHE 20 -8.869 8.344 3.408
145 HZ PHE 20 HZ PHE 20 -10.549 10.077 3.873
146 H THR 21 H THR 21 -10.212 6.891 0.294
147 HA THR 21 HA THR 21 -8.919 5.624 -1.973
148 HB THR 21 HB THR 21 -8.828 8.626 -1.892
149 HG1 THR 21 1HG THR 21 -10.972 7.869 -2.461
150 HG21 THR 21 3HG2 THR 21 -8.269 6.958 -4.282
151 HG22 THR 21 1HG2 THR 21 -7.082 6.959 -2.976
152 HG23 THR 21 2HG2 THR 21 -7.526 8.474 -3.767
153 H ASN 22 H ASN 22 -7.522 4.715 -0.596
154 HA ASN 22 HA ASN 22 -5.463 6.545 0.463
155 HB2 ASN 22 2HB ASN 22 -6.318 3.802 1.426
156 HB3 ASN 22 1HB ASN 22 -4.771 4.517 1.864
157 HD21 ASN 22 1HD2 ASN 22 -5.919 7.224 1.936
158 HD22 ASN 22 2HD2 ASN 22 -6.812 7.313 3.414
159 H TYR 23 H TYR 23 -3.257 5.297 0.369
160 HA TYR 23 HA TYR 23 -3.088 4.258 -2.368
161 HB2 TYR 23 2HB TYR 23 -0.961 5.371 -0.510
162 HB3 TYR 23 1HB TYR 23 -0.632 4.722 -2.112
163 HD1 TYR 23 1HD TYR 23 -2.864 7.247 -0.502
164 HD2 TYR 23 2HD TYR 23 -0.420 6.241 -3.826
165 HE1 TYR 23 1HE TYR 23 -3.249 9.481 -1.452
166 HE2 TYR 23 2HE TYR 23 -0.801 8.469 -4.792
167 HH TYR 23 HH TYR 23 -2.038 10.358 -4.651
168 H TYR 24 H TYR 24 -1.755 2.428 -2.777
169 HA TYR 24 HA TYR 24 -0.876 0.792 -0.525
170 HB2 TYR 24 2HB TYR 24 -2.106 -1.131 -1.104
171 HB3 TYR 24 1HB TYR 24 -3.294 0.160 -1.253
172 HD1 TYR 24 2HD TYR 24 -3.903 0.997 -3.548
173 HD2 TYR 24 1HD TYR 24 -1.500 -2.464 -2.969
174 HE1 TYR 24 2HE TYR 24 -4.365 0.279 -5.856
175 HE2 TYR 24 1HE TYR 24 -1.947 -3.186 -5.235
176 HH TYR 24 HH TYR 24 -3.474 -1.136 -7.566
177 H TYR 25 H TYR 25 0.733 -0.757 -1.218
178 HA TYR 25 HA TYR 25 2.136 0.253 -3.503
179 HB2 TYR 25 2HB TYR 25 3.838 -1.478 -2.600
180 HB3 TYR 25 1HB TYR 25 3.611 0.039 -1.768
181 HD1 TYR 25 1HD TYR 25 1.923 -3.295 -1.756
182 HD2 TYR 25 2HD TYR 25 3.682 -0.185 0.547
183 HE1 TYR 25 1HE TYR 25 1.440 -4.548 0.298
184 HE2 TYR 25 2HE TYR 25 3.200 -1.434 2.608
185 HH TYR 25 HH TYR 25 1.702 -3.170 3.396
186 H ASP 26 H ASP 26 2.575 -0.767 -5.337
187 HA ASP 26 HA ASP 26 1.362 -3.417 -5.735
188 HB2 ASP 26 2HB ASP 26 0.568 -1.490 -7.154
189 HB3 ASP 26 1HB ASP 26 2.183 -1.423 -7.848
190 H LYS 27 H LYS 27 2.719 -5.074 -5.895
191 HA LYS 27 HA LYS 27 5.518 -4.690 -5.750
192 HB2 LYS 27 2HB LYS 27 3.791 -7.122 -5.875
193 HB3 LYS 27 1HB LYS 27 5.519 -7.189 -5.721
194 HG2 LYS 27 2HG LYS 27 3.778 -5.773 -3.774
195 HG3 LYS 27 1HG LYS 27 4.241 -7.458 -3.598
196 HD2 LYS 27 2HD LYS 27 5.915 -6.531 -2.374
197 HD3 LYS 27 1HD LYS 27 6.662 -6.384 -3.964
198 HE2 LYS 27 2HE LYS 27 5.506 -4.093 -4.046
199 HE3 LYS 27 1HE LYS 27 5.312 -4.284 -2.313
200 HZ1 LYS 27 3HZ LYS 27 7.338 -3.050 -2.930
201 HZ2 LYS 27 1HZ LYS 27 7.922 -4.423 -3.731
202 HZ3 LYS 27 2HZ LYS 27 7.679 -4.456 -2.057
203 H ALA 28 H ALA 28 3.701 -4.497 -8.474
204 HA ALA 28 HA ALA 28 5.429 -6.138 -10.145
205 HB1 ALA 28 1HB ALA 28 3.255 -4.189 -10.918
206 HB2 ALA 28 2HB ALA 28 3.074 -5.936 -10.752
207 HB3 ALA 28 3HB ALA 28 4.106 -5.272 -12.020
208 H THR 29 H THR 29 5.365 -3.040 -8.832
209 HA THR 29 HA THR 29 7.714 -2.276 -10.395
210 HB THR 29 HB THR 29 5.865 -1.198 -11.531
211 HG1 THR 29 1HG THR 29 7.917 0.027 -10.882
212 HG21 THR 29 3HG2 THR 29 5.147 0.087 -8.894
213 HG22 THR 29 1HG2 THR 29 4.282 -1.274 -9.621
214 HG23 THR 29 2HG2 THR 29 4.318 0.293 -10.437
215 H SER 30 H SER 30 6.400 -2.877 -7.529
216 HA SER 30 HA SER 30 6.716 -2.352 -5.355
217 HB2 SER 30 2HB SER 30 9.076 -2.975 -6.217
218 HB3 SER 30 1HB SER 30 9.414 -1.248 -6.107
219 HG SER 30 HG SER 30 9.488 -1.398 -4.007
220 H SER 31 H SER 31 5.348 -0.415 -6.828
221 HA SER 31 HA SER 31 6.105 2.023 -5.372
222 HB2 SER 31 2HB SER 31 5.044 1.970 -8.210
223 HB3 SER 31 1HB SER 31 5.524 3.397 -7.290
224 HG SER 31 HG SER 31 7.274 1.262 -7.994
225 H CYS 32 H CYS 32 4.237 3.476 -5.014
226 HA CYS 32 HA CYS 32 1.973 1.785 -4.347
227 HB2 CYS 32 2HB CYS 32 3.138 4.243 -3.234
228 HB3 CYS 32 1HB CYS 32 1.373 4.169 -3.204
229 H LYS 33 H LYS 33 0.051 1.892 -5.217
230 HA LYS 33 HA LYS 33 -0.719 4.270 -6.784
231 HB2 LYS 33 2HB LYS 33 -0.611 2.157 -8.101
232 HB3 LYS 33 1HB LYS 33 -1.779 1.435 -7.021
233 HG2 LYS 33 2HG LYS 33 -2.838 2.085 -9.083
234 HG3 LYS 33 1HG LYS 33 -3.451 3.076 -7.765
235 HD2 LYS 33 2HD LYS 33 -1.243 4.002 -9.576
236 HD3 LYS 33 1HD LYS 33 -2.938 4.249 -9.971
237 HE2 LYS 33 2HE LYS 33 -3.132 5.368 -7.713
238 HE3 LYS 33 1HE LYS 33 -1.376 5.333 -7.644
239 HZ1 LYS 33 3HZ LYS 33 -2.193 7.446 -8.478
240 HZ2 LYS 33 1HZ LYS 33 -2.989 6.663 -9.757
241 HZ3 LYS 33 2HZ LYS 33 -1.291 6.640 -9.667
242 H THR 34 H THR 34 -3.528 3.658 -6.709
243 HA THR 34 HA THR 34 -3.969 4.017 -3.835
244 HB THR 34 HB THR 34 -6.034 5.339 -4.616
245 HG1 THR 34 1HG THR 34 -6.099 5.820 -6.677
246 HG21 THR 34 3HG2 THR 34 -3.276 6.517 -4.842
247 HG22 THR 34 1HG2 THR 34 -4.158 6.222 -3.339
248 HG23 THR 34 2HG2 THR 34 -4.770 7.398 -4.509
249 H PHE 35 H PHE 35 -6.283 3.724 -3.180
250 HA PHE 35 HA PHE 35 -7.961 1.924 -4.583
251 HB2 PHE 35 2HB PHE 35 -7.568 -0.125 -3.532
252 HB3 PHE 35 1HB PHE 35 -5.951 0.454 -3.897
253 HD1 PHE 35 1HD PHE 35 -5.498 2.347 -1.619
254 HD2 PHE 35 2HD PHE 35 -7.291 -1.521 -1.752
255 HE1 PHE 35 1HE PHE 35 -4.884 1.961 0.734
256 HE2 PHE 35 2HE PHE 35 -6.662 -1.898 0.593
257 HZ PHE 35 HZ PHE 35 -5.457 -0.154 1.839
258 H ARG 36 H ARG 36 -9.745 1.313 -3.345
259 HA ARG 36 HA ARG 36 -10.773 3.529 -2.014
260 HB2 ARG 36 2HB ARG 36 -11.723 0.696 -2.234
261 HB3 ARG 36 1HB ARG 36 -12.731 2.040 -1.719
262 HG2 ARG 36 2HG ARG 36 -11.412 1.752 -4.410
263 HG3 ARG 36 1HG ARG 36 -13.114 1.439 -4.064
264 HD2 ARG 36 2HD ARG 36 -13.370 3.781 -3.369
265 HD3 ARG 36 1HD ARG 36 -11.682 4.073 -3.784
266 HE ARG 36 HE ARG 36 -13.375 3.024 -5.905
267 HH11 ARG 36 1HH1 ARG 36 -11.885 5.809 -4.401
268 HH12 ARG 36 2HH1 ARG 36 -12.026 6.816 -5.808
269 HH21 ARG 36 1HH2 ARG 36 -13.556 4.335 -7.772
270 HH22 ARG 36 2HH2 ARG 36 -12.979 5.976 -7.727
271 H TYR 37 H TYR 37 -9.071 0.811 -0.871
272 HA TYR 37 HA TYR 37 -8.368 0.095 1.127
273 HB2 TYR 37 2HB TYR 37 -7.781 2.371 1.652
274 HB3 TYR 37 1HB TYR 37 -9.438 2.733 2.132
275 HD1 TYR 37 1HD TYR 37 -6.871 0.133 2.984
276 HD2 TYR 37 2HD TYR 37 -9.703 2.974 4.404
277 HE1 TYR 37 1HE TYR 37 -6.331 -0.490 5.301
278 HE2 TYR 37 2HE TYR 37 -9.164 2.363 6.722
279 HH TYR 37 HH TYR 37 -6.471 0.565 7.598
280 H ARG 38 H ARG 38 -11.613 1.303 1.058
281 HA ARG 38 HA ARG 38 -13.606 0.384 1.544
282 HB2 ARG 38 2HB ARG 38 -11.907 -2.053 1.900
283 HB3 ARG 38 1HB ARG 38 -13.645 -2.089 2.160
284 HG2 ARG 38 2HG ARG 38 -13.455 -2.822 -0.013
285 HG3 ARG 38 1HG ARG 38 -13.760 -1.099 -0.237
286 HD2 ARG 38 2HD ARG 38 -11.406 -0.687 -0.578
287 HD3 ARG 38 1HD ARG 38 -11.025 -2.368 -0.211
288 HE ARG 38 HE ARG 38 -12.856 -2.077 -2.406
289 HH11 ARG 38 1HH1 ARG 38 -9.476 -2.070 -1.496
290 HH12 ARG 38 2HH1 ARG 38 -8.910 -2.506 -3.080
291 HH21 ARG 38 1HH2 ARG 38 -12.127 -2.671 -4.488
292 HH22 ARG 38 2HH2 ARG 38 -10.421 -2.851 -4.773
293 H GLY 39 H GLY 39 -11.585 1.346 3.730
294 HA2 GLY 39 2HA GLY 39 -12.012 2.043 5.891
295 HA3 GLY 39 1HA GLY 39 -13.553 1.200 5.815
296 H SER 40 H SER 40 -12.780 -1.362 5.347
297 HA SER 40 HA SER 40 -10.758 -2.208 7.200
298 HB2 SER 40 2HB SER 40 -12.871 -1.685 8.592
299 HB3 SER 40 1HB SER 40 -13.589 -3.085 7.797
300 HG SER 40 HG SER 40 -11.923 -3.013 9.888
301 H GLY 41 H GLY 41 -9.952 -3.165 5.349
302 HA2 GLY 41 2HA GLY 41 -10.627 -5.783 4.766
303 HA3 GLY 41 1HA GLY 41 -11.493 -4.802 3.594
304 H GLY 42 H GLY 42 -9.249 -2.805 3.852
305 HA2 GLY 42 2HA GLY 42 -7.603 -3.824 1.735
306 HA3 GLY 42 1HA GLY 42 -7.427 -2.270 2.541
307 H ASN 43 H ASN 43 -6.838 -5.721 2.891
308 HA ASN 43 HA ASN 43 -5.125 -5.388 5.166
309 HB2 ASN 43 2HB ASN 43 -5.590 -7.803 3.407
310 HB3 ASN 43 1HB ASN 43 -4.721 -7.809 4.938
311 HD21 ASN 43 1HD2 ASN 43 -6.560 -5.894 6.174
312 HD22 ASN 43 2HD2 ASN 43 -7.999 -6.790 6.517
313 H GLY 44 H GLY 44 -3.855 -3.748 3.889
314 HA2 GLY 44 2HA GLY 44 -1.411 -5.054 3.000
315 HA3 GLY 44 1HA GLY 44 -2.200 -4.010 1.824
316 H ASN 45 H ASN 45 -1.983 -3.615 5.310
317 HA ASN 45 HA ASN 45 -0.986 -2.104 6.668
318 HB2 ASN 45 2HB ASN 45 1.097 -2.638 5.465
319 HB3 ASN 45 1HB ASN 45 0.726 -1.390 4.281
320 HD21 ASN 45 1HD2 ASN 45 2.602 -0.256 4.737
321 HD22 ASN 45 2HD2 ASN 45 2.802 0.654 6.193
322 H ARG 46 H ARG 46 -1.634 -0.782 3.441
323 HA ARG 46 HA ARG 46 -2.789 1.038 2.741
324 HB2 ARG 46 2HB ARG 46 -4.555 0.745 4.278
325 HB3 ARG 46 1HB ARG 46 -3.552 1.213 5.650
326 HG2 ARG 46 2HG ARG 46 -3.431 3.489 4.312
327 HG3 ARG 46 1HG ARG 46 -4.948 2.887 3.639
328 HD2 ARG 46 2HD ARG 46 -5.580 4.151 5.514
329 HD3 ARG 46 1HD ARG 46 -5.656 2.473 6.053
330 HE ARG 46 HE ARG 46 -3.256 4.099 6.585
331 HH11 ARG 46 1HH1 ARG 46 -5.915 2.109 7.765
332 HH12 ARG 46 2HH1 ARG 46 -5.392 2.196 9.420
333 HH21 ARG 46 1HH2 ARG 46 -2.591 4.197 8.769
334 HH22 ARG 46 2HH2 ARG 46 -3.528 3.374 9.988
335 H PHE 47 H PHE 47 -2.059 2.934 2.106
336 HA PHE 47 HA PHE 47 -0.163 4.368 3.839
337 HB2 PHE 47 2HB PHE 47 0.179 3.343 1.068
338 HB3 PHE 47 1HB PHE 47 0.882 4.908 1.429
339 HD1 PHE 47 1HD PHE 47 2.302 5.005 3.630
340 HD2 PHE 47 2HD PHE 47 1.426 1.455 1.459
341 HE1 PHE 47 1HE PHE 47 4.250 3.912 4.644
342 HE2 PHE 47 2HE PHE 47 3.379 0.354 2.470
343 HZ PHE 47 HZ PHE 47 4.796 1.580 4.065
344 H LYS 48 H LYS 48 -0.767 6.353 4.197
345 HA LYS 48 HA LYS 48 -3.064 7.538 3.154
346 HB2 LYS 48 2HB LYS 48 -0.698 8.930 4.424
347 HB3 LYS 48 1HB LYS 48 -2.347 9.526 4.350
348 HG2 LYS 48 2HG LYS 48 -1.300 7.194 5.931
349 HG3 LYS 48 1HG LYS 48 -1.984 8.702 6.545
350 HD2 LYS 48 2HD LYS 48 -3.912 7.605 4.835
351 HD3 LYS 48 1HD LYS 48 -3.307 6.266 5.809
352 HE2 LYS 48 2HE LYS 48 -3.883 7.324 7.828
353 HE3 LYS 48 1HE LYS 48 -4.095 8.888 7.048
354 HZ1 LYS 48 3HZ LYS 48 -5.850 6.529 6.616
355 HZ2 LYS 48 1HZ LYS 48 -6.069 8.081 5.971
356 HZ3 LYS 48 2HZ LYS 48 -6.205 7.828 7.644
357 H THR 49 H THR 49 0.335 8.196 2.428
358 HA THR 49 HA THR 49 -0.522 9.300 -0.162
359 HB THR 49 HB THR 49 1.475 10.832 0.005
360 HG1 THR 49 1HG THR 49 2.047 11.287 2.296
361 HG21 THR 49 3HG2 THR 49 0.317 12.516 1.358
362 HG22 THR 49 1HG2 THR 49 -0.739 11.263 2.009
363 HG23 THR 49 2HG2 THR 49 -0.807 11.667 0.294
364 H LEU 50 H LEU 50 0.986 8.976 -1.907
365 HA LEU 50 HA LEU 50 2.390 6.502 -1.665
366 HB2 LEU 50 2HB LEU 50 1.640 6.498 -3.773
367 HB3 LEU 50 1HB LEU 50 1.484 8.239 -3.819
368 HG LEU 50 HG LEU 50 2.876 7.361 -5.622
369 HD11 LEU 50 1HD1 LEU 50 3.270 9.616 -4.428
370 HD12 LEU 50 2HD1 LEU 50 4.442 9.025 -5.612
371 HD13 LEU 50 3HD1 LEU 50 4.773 8.860 -3.887
372 HD21 LEU 50 3HD2 LEU 50 3.802 5.416 -4.397
373 HD22 LEU 50 1HD2 LEU 50 4.877 6.518 -3.528
374 HD23 LEU 50 2HD2 LEU 50 5.009 6.346 -5.283
375 H GLU 51 H GLU 51 3.199 9.840 -1.496
376 HA GLU 51 HA GLU 51 5.973 9.580 -1.882
377 HB2 GLU 51 2HB GLU 51 6.116 11.738 -0.580
378 HB3 GLU 51 1HB GLU 51 5.071 11.772 -1.993
379 HG2 GLU 51 2HG GLU 51 3.120 11.544 -0.599
380 HG3 GLU 51 1HG GLU 51 4.129 11.397 0.837
381 H ASP 52 H ASP 52 3.943 9.199 0.942
382 HA ASP 52 HA ASP 52 6.043 8.797 2.835
383 HB2 ASP 52 2HB ASP 52 3.591 9.274 3.380
384 HB3 ASP 52 1HB ASP 52 3.258 7.609 2.926
385 H CYS 53 H CYS 53 3.918 6.651 1.054
386 HA CYS 53 HA CYS 53 4.950 4.189 1.693
387 HB2 CYS 53 2HB CYS 53 2.951 4.378 0.418
388 HB3 CYS 53 1HB CYS 53 3.784 5.230 -0.879
389 H GLU 54 H GLU 54 5.866 6.201 -1.105
390 HA GLU 54 HA GLU 54 7.869 4.454 -2.036
391 HB2 GLU 54 2HB GLU 54 8.487 6.178 -3.556
392 HB3 GLU 54 1HB GLU 54 6.746 6.274 -3.390
393 HG2 GLU 54 2HG GLU 54 6.946 8.174 -1.934
394 HG3 GLU 54 1HG GLU 54 8.698 8.012 -1.902
395 H ALA 55 H ALA 55 7.858 7.040 0.286
396 HA ALA 55 HA ALA 55 10.551 7.595 0.393
397 HB1 ALA 55 1HB ALA 55 8.429 7.609 2.529
398 HB2 ALA 55 2HB ALA 55 9.138 8.979 1.670
399 HB3 ALA 55 3HB ALA 55 10.094 8.096 2.859
400 H THR 56 H THR 56 8.818 5.414 2.593
401 HA THR 56 HA THR 56 11.187 4.181 3.514
402 HB THR 56 HB THR 56 9.301 4.138 4.964
403 HG1 THR 56 1HG THR 56 10.147 2.297 5.545
404 HG21 THR 56 3HG2 THR 56 7.830 2.545 2.861
405 HG22 THR 56 1HG2 THR 56 7.523 4.230 3.278
406 HG23 THR 56 2HG2 THR 56 7.224 2.961 4.464
407 H CYS 57 H CYS 57 8.792 3.160 1.111
408 HA CYS 57 HA CYS 57 9.970 0.543 0.903
409 HB2 CYS 57 2HB CYS 57 7.552 0.861 0.686
410 HB3 CYS 57 1HB CYS 57 7.797 1.864 -0.736
411 H VAL 58 H VAL 58 9.698 3.339 -1.299
412 HA VAL 58 HA VAL 58 11.028 1.993 -3.402
413 HB VAL 58 HB VAL 58 10.200 4.856 -3.003
414 HG11 VAL 58 1HG1 VAL 58 11.002 5.377 -5.249
415 HG12 VAL 58 2HG1 VAL 58 11.733 3.776 -5.371
416 HG13 VAL 58 3HG1 VAL 58 12.343 4.936 -4.189
417 HG21 VAL 58 3HG2 VAL 58 9.450 2.706 -4.985
418 HG22 VAL 58 1HG2 VAL 58 8.790 4.342 -4.953
419 HG23 VAL 58 2HG2 VAL 58 8.491 3.243 -3.606
420 H THR 59 H THR 59 12.218 4.144 -0.804
421 HA THR 59 HA THR 59 14.784 4.424 -2.004
422 HB THR 59 HB THR 59 15.605 5.124 0.176
423 HG1 THR 59 1HG THR 59 13.040 4.974 1.289
424 HG21 THR 59 3HG2 THR 59 12.932 6.374 -0.437
425 HG22 THR 59 1HG2 THR 59 14.416 6.699 -1.333
426 HG23 THR 59 2HG2 THR 59 14.302 7.138 0.372
427 H ALA 60 H ALA 60 13.554 2.294 0.510
428 HA ALA 60 HA ALA 60 16.019 0.951 0.923
429 HB1 ALA 60 1HB ALA 60 14.284 1.087 2.637
430 HB2 ALA 60 2HB ALA 60 14.755 -0.582 2.310
431 HB3 ALA 60 3HB ALA 60 13.244 0.052 1.658
432 H GLU 61 H GLU 61 13.468 0.499 -1.342
433 HA GLU 61 HA GLU 61 13.169 -0.848 -3.121
434 HB2 GLU 61 2HB GLU 61 16.047 -1.556 -2.612
435 HB3 GLU 61 1HB GLU 61 15.159 -1.959 -4.075
436 HG2 GLU 61 2HG GLU 61 14.848 0.446 -4.501
437 HG3 GLU 61 1HG GLU 61 15.805 0.802 -3.065