NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599780 |
2n8t   |
25865 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -6.681 18.415 0.473
2 H2 GLY 1 2HT GLY 1 -5.888 17.017 -0.058
3 H3 GLY 1 3HT GLY 1 -7.533 16.958 0.333
4 HA2 GLY 1 1HA GLY 1 -7.313 16.965 -2.035
5 HA3 GLY 1 2HA GLY 1 -8.018 18.487 -1.497
6 H SER 2 H SER 2 -5.828 17.185 -3.515
7 HA SER 2 HA SER 2 -4.841 19.658 -4.397
8 HB2 SER 2 2HB SER 2 -3.348 19.422 -2.382
9 HB3 SER 2 1HB SER 2 -2.742 17.914 -3.062
10 HG SER 2 HG SER 2 -2.563 19.822 -4.925
11 H SER 3 H SER 3 -5.771 18.709 -6.244
12 HA SER 3 HA SER 3 -5.954 17.412 -8.100
13 HB2 SER 3 2HB SER 3 -3.061 16.729 -7.495
14 HB3 SER 3 1HB SER 3 -3.898 16.367 -9.009
15 HG SER 3 HG SER 3 -4.195 18.616 -9.297
16 H SER 4 H SER 4 -4.977 14.808 -8.657
17 HA SER 4 HA SER 4 -5.686 13.236 -6.314
18 HB2 SER 4 2HB SER 4 -7.209 13.090 -8.922
19 HB3 SER 4 1HB SER 4 -7.382 11.942 -7.593
20 HG SER 4 HG SER 4 -7.616 14.428 -6.635
21 H GLY 5 H GLY 5 -5.019 11.079 -6.400
22 HA2 GLY 5 2HA GLY 5 -3.893 9.791 -8.626
23 HA3 GLY 5 1HA GLY 5 -2.608 10.603 -7.739
24 H LEU 6 H LEU 6 -2.986 10.306 -5.235
25 HA LEU 6 HA LEU 6 -3.325 7.426 -4.777
26 HB2 LEU 6 2HB LEU 6 -1.958 9.518 -3.078
27 HB3 LEU 6 1HB LEU 6 -2.107 7.822 -2.662
28 HG LEU 6 HG LEU 6 -0.538 8.959 -4.977
29 HD11 LEU 6 1HD1 LEU 6 0.310 7.602 -2.421
30 HD12 LEU 6 2HD1 LEU 6 0.534 9.303 -2.832
31 HD13 LEU 6 3HD1 LEU 6 1.387 8.058 -3.744
32 HD21 LEU 6 3HD2 LEU 6 0.200 6.662 -5.358
33 HD22 LEU 6 1HD2 LEU 6 -1.544 6.823 -5.587
34 HD23 LEU 6 2HD2 LEU 6 -0.908 6.094 -4.111
35 HA PRO 7 HA PRO 7 -7.064 8.244 -2.478
36 HB2 PRO 7 2HB PRO 7 -6.387 5.764 -1.023
37 HB3 PRO 7 1HB PRO 7 -7.826 6.154 -1.969
38 HG2 PRO 7 2HG PRO 7 -5.997 4.427 -2.875
39 HG3 PRO 7 1HG PRO 7 -6.832 5.545 -3.975
40 HD2 PRO 7 2HD PRO 7 -4.077 5.734 -2.808
41 HD3 PRO 7 1HD PRO 7 -4.620 6.084 -4.460
42 HA PRO 8 HA PRO 8 -5.838 10.215 1.257
43 HB2 PRO 8 2HB PRO 8 -8.158 8.948 2.605
44 HB3 PRO 8 1HB PRO 8 -7.739 10.658 2.456
45 HG2 PRO 8 2HG PRO 8 -9.722 9.607 1.018
46 HG3 PRO 8 1HG PRO 8 -8.637 10.828 0.328
47 HD2 PRO 8 2HD PRO 8 -8.686 7.872 -0.103
48 HD3 PRO 8 1HD PRO 8 -8.351 9.173 -1.262
49 H GLY 9 H GLY 9 -3.993 9.273 1.989
50 HA2 GLY 9 2HA GLY 9 -2.995 8.397 3.964
51 HA3 GLY 9 1HA GLY 9 -4.376 7.331 4.154
52 H TRP 10 H TRP 10 -2.837 7.628 1.042
53 HA TRP 10 HA TRP 10 -1.741 4.923 1.389
54 HB2 TRP 10 2HB TRP 10 -2.770 6.409 -1.009
55 HB3 TRP 10 1HB TRP 10 -1.658 5.060 -1.211
56 HD1 TRP 10 HD TRP 10 -4.758 5.379 1.110
57 HE1 TRP 10 1HE TRP 10 -6.283 3.354 0.665
58 HE3 TRP 10 3HE TRP 10 -2.100 3.188 -2.663
59 HZ2 TRP 10 2HZ TRP 10 -6.357 1.134 -1.077
60 HZ3 TRP 10 3HZ TRP 10 -2.971 1.120 -3.676
61 HH2 TRP 10 HH TRP 10 -5.057 0.113 -2.896
62 H GLU 11 H GLU 11 0.369 4.604 1.379
63 HA GLU 11 HA GLU 11 2.092 6.743 0.338
64 HB2 GLU 11 2HB GLU 11 2.538 4.607 2.384
65 HB3 GLU 11 1HB GLU 11 3.907 5.304 1.537
66 HG2 GLU 11 2HG GLU 11 3.256 7.522 2.349
67 HG3 GLU 11 1HG GLU 11 1.914 6.791 3.234
68 H GLU 12 H GLU 12 3.224 6.419 -1.440
69 HA GLU 12 HA GLU 12 3.306 3.736 -2.620
70 HB2 GLU 12 2HB GLU 12 2.355 5.462 -4.046
71 HB3 GLU 12 1HB GLU 12 3.767 6.484 -3.810
72 HG2 GLU 12 2HG GLU 12 5.138 4.773 -4.945
73 HG3 GLU 12 1HG GLU 12 3.666 3.855 -5.264
74 H LYS 13 H LYS 13 5.123 2.616 -2.184
75 HA LYS 13 HA LYS 13 7.700 3.812 -2.596
76 HB2 LYS 13 2HB LYS 13 8.543 3.255 -0.289
77 HB3 LYS 13 1HB LYS 13 7.455 4.637 -0.379
78 HG2 LYS 13 2HG LYS 13 5.601 3.102 0.332
79 HG3 LYS 13 1HG LYS 13 6.827 1.858 0.603
80 HD2 LYS 13 2HD LYS 13 7.935 3.259 2.238
81 HD3 LYS 13 1HD LYS 13 6.810 4.581 1.913
82 HE2 LYS 13 2HE LYS 13 4.956 3.072 2.645
83 HE3 LYS 13 1HE LYS 13 6.175 1.900 3.143
84 HZ1 LYS 13 3HZ LYS 13 5.919 4.677 4.180
85 HZ2 LYS 13 1HZ LYS 13 7.069 3.532 4.686
86 HZ3 LYS 13 2HZ LYS 13 5.429 3.274 4.996
87 H GLN 14 H GLN 14 9.470 2.219 -2.281
88 HA GLN 14 HA GLN 14 8.552 -0.327 -3.308
89 HB2 GLN 14 2HB GLN 14 10.941 -0.756 -3.784
90 HB3 GLN 14 1HB GLN 14 10.343 0.732 -4.502
91 HG2 GLN 14 2HG GLN 14 12.244 1.589 -3.689
92 HG3 GLN 14 1HG GLN 14 11.343 1.686 -2.182
93 HE21 GLN 14 1HE2 GLN 14 11.800 0.238 -0.528
94 HE22 GLN 14 2HE2 GLN 14 13.228 -0.737 -0.523
95 H ASP 15 H ASP 15 9.118 -2.352 -2.526
96 HA ASP 15 HA ASP 15 9.314 -2.479 0.377
97 HB2 ASP 15 2HB ASP 15 8.568 -4.735 0.193
98 HB3 ASP 15 1HB ASP 15 7.613 -3.807 -0.969
99 H ASP 16 H ASP 16 10.448 -4.945 0.737
100 HA ASP 16 HA ASP 16 13.222 -4.480 0.651
101 HB2 ASP 16 2HB ASP 16 12.183 -5.963 2.297
102 HB3 ASP 16 1HB ASP 16 11.690 -7.069 1.019
103 H ARG 17 H ARG 17 11.039 -6.247 -1.483
104 HA ARG 17 HA ARG 17 13.156 -7.372 -3.064
105 HB2 ARG 17 2HB ARG 17 10.217 -7.106 -3.696
106 HB3 ARG 17 1HB ARG 17 11.372 -8.113 -4.559
107 HG2 ARG 17 2HG ARG 17 10.445 -8.446 -1.710
108 HG3 ARG 17 1HG ARG 17 10.052 -9.481 -3.085
109 HD2 ARG 17 2HD ARG 17 12.492 -9.989 -3.290
110 HD3 ARG 17 1HD ARG 17 12.747 -9.093 -1.791
111 HE ARG 17 HE ARG 17 11.041 -11.496 -1.962
112 HH11 ARG 17 1HH1 ARG 17 13.463 -9.548 -0.313
113 HH12 ARG 17 2HH1 ARG 17 13.623 -10.661 1.011
114 HH21 ARG 17 1HH2 ARG 17 11.250 -12.944 -0.199
115 HH22 ARG 17 2HH2 ARG 17 12.345 -12.551 1.100
116 H GLY 18 H GLY 18 11.616 -4.350 -2.914
117 HA2 GLY 18 2HA GLY 18 12.604 -2.459 -3.917
118 HA3 GLY 18 1HA GLY 18 13.276 -3.498 -5.161
119 H ARG 19 H ARG 19 9.948 -4.030 -4.493
120 HA ARG 19 HA ARG 19 9.342 -2.713 -7.049
121 HB2 ARG 19 2HB ARG 19 7.488 -4.159 -7.294
122 HB3 ARG 19 1HB ARG 19 8.804 -5.164 -6.713
123 HG2 ARG 19 2HG ARG 19 7.868 -5.060 -4.442
124 HG3 ARG 19 1HG ARG 19 6.526 -4.095 -5.057
125 HD2 ARG 19 2HD ARG 19 7.218 -6.939 -5.772
126 HD3 ARG 19 1HD ARG 19 5.799 -6.368 -4.895
127 HE ARG 19 HE ARG 19 5.043 -5.343 -6.971
128 HH11 ARG 19 1HH1 ARG 19 7.541 -7.776 -7.165
129 HH12 ARG 19 2HH1 ARG 19 7.283 -8.089 -8.856
130 HH21 ARG 19 1HH2 ARG 19 4.692 -5.754 -9.206
131 HH22 ARG 19 2HH2 ARG 19 5.662 -6.941 -10.016
132 H SER 20 H SER 20 7.690 -1.229 -7.252
133 HA SER 20 HA SER 20 7.187 0.369 -4.953
134 HB2 SER 20 2HB SER 20 5.740 0.542 -7.596
135 HB3 SER 20 1HB SER 20 6.051 1.832 -6.437
136 HG SER 20 HG SER 20 8.371 1.284 -6.898
137 H TYR 21 H TYR 21 5.853 -0.328 -3.394
138 HA TYR 21 HA TYR 21 3.287 -1.491 -4.217
139 HB2 TYR 21 2HB TYR 21 3.159 -2.655 -2.134
140 HB3 TYR 21 1HB TYR 21 4.769 -2.943 -2.777
141 HD1 TYR 21 1HD TYR 21 2.832 -1.182 -0.203
142 HD2 TYR 21 2HD TYR 21 6.730 -2.148 -1.600
143 HE1 TYR 21 1HE TYR 21 3.774 -0.416 1.932
144 HE2 TYR 21 2HE TYR 21 7.687 -1.389 0.534
145 HH TYR 21 HH TYR 21 5.864 -0.833 3.288
146 H TYR 22 H TYR 22 1.592 -1.069 -2.391
147 HA TYR 22 HA TYR 22 1.748 1.749 -1.578
148 HB2 TYR 22 2HB TYR 22 -0.641 0.278 -2.706
149 HB3 TYR 22 1HB TYR 22 -0.697 1.894 -2.020
150 HD1 TYR 22 2HD TYR 22 0.514 -0.111 -4.873
151 HD2 TYR 22 1HD TYR 22 0.068 3.783 -3.233
152 HE1 TYR 22 2HE TYR 22 1.053 0.865 -7.066
153 HE2 TYR 22 1HE TYR 22 0.600 4.768 -5.419
154 HH TYR 22 HH TYR 22 1.808 4.152 -7.473
155 H VAL 23 H VAL 23 1.019 2.200 0.458
156 HA VAL 23 HA VAL 23 -0.192 -0.032 1.935
157 HB VAL 23 HB VAL 23 2.048 0.224 2.778
158 HG11 VAL 23 1HG1 VAL 23 2.840 2.317 3.784
159 HG12 VAL 23 2HG1 VAL 23 1.360 3.117 3.256
160 HG13 VAL 23 3HG1 VAL 23 2.501 2.500 2.062
161 HG21 VAL 23 3HG2 VAL 23 0.354 -0.306 4.426
162 HG22 VAL 23 1HG2 VAL 23 0.017 1.408 4.666
163 HG23 VAL 23 2HG2 VAL 23 1.577 0.741 5.147
164 H ASP 24 H ASP 24 -2.072 0.327 2.797
165 HA ASP 24 HA ASP 24 -3.234 2.994 2.704
166 HB2 ASP 24 2HB ASP 24 -4.629 1.227 1.831
167 HB3 ASP 24 1HB ASP 24 -4.399 0.263 3.289
168 H HIS 25 H HIS 25 -3.257 4.282 4.429
169 HA HIS 25 HA HIS 25 -2.483 3.235 7.018
170 HB2 HIS 25 2HB HIS 25 -2.987 6.021 5.998
171 HB3 HIS 25 1HB HIS 25 -2.689 5.679 7.701
172 HD1 HIS 25 1HD HIS 25 -0.340 4.277 8.116
173 HD2 HIS 25 2HD HIS 25 -0.699 6.435 4.573
174 HE1 HIS 25 1HE HIS 25 1.988 4.511 7.217
175 HE2 HIS 25 2HE HIS 25 1.779 6.020 5.228
176 H ASN 26 H ASN 26 -5.409 3.368 5.489
177 HA ASN 26 HA ASN 26 -7.000 4.451 7.614
178 HB2 ASN 26 2HB ASN 26 -7.762 2.837 5.173
179 HB3 ASN 26 1HB ASN 26 -8.932 3.433 6.346
180 HD21 ASN 26 1HD2 ASN 26 -6.786 4.246 3.762
181 HD22 ASN 26 2HD2 ASN 26 -7.302 5.897 3.577
182 H SER 27 H SER 27 -6.580 1.101 6.371
183 HA SER 27 HA SER 27 -7.440 0.124 8.994
184 HB2 SER 27 2HB SER 27 -7.034 -2.151 7.813
185 HB3 SER 27 1HB SER 27 -8.398 -1.172 7.276
186 HG SER 27 HG SER 27 -5.910 -1.611 6.020
187 H LYS 28 H LYS 28 -4.695 0.892 7.222
188 HA LYS 28 HA LYS 28 -2.486 0.981 7.698
189 HB2 LYS 28 2HB LYS 28 -3.157 -0.409 10.294
190 HB3 LYS 28 1HB LYS 28 -1.610 0.316 9.884
191 HG2 LYS 28 2HG LYS 28 -2.574 2.504 9.843
192 HG3 LYS 28 1HG LYS 28 -4.195 1.842 10.051
193 HD2 LYS 28 2HD LYS 28 -1.937 1.734 12.045
194 HD3 LYS 28 1HD LYS 28 -3.384 2.737 12.148
195 HE2 LYS 28 2HE LYS 28 -3.222 -0.269 12.288
196 HE3 LYS 28 1HE LYS 28 -3.666 0.838 13.584
197 HZ1 LYS 28 3HZ LYS 28 -5.217 0.165 11.153
198 HZ2 LYS 28 1HZ LYS 28 -5.592 1.510 12.115
199 HZ3 LYS 28 2HZ LYS 28 -5.668 -0.048 12.771
200 H THR 29 H THR 29 -2.336 -0.378 5.918
201 HA THR 29 HA THR 29 -1.400 -3.054 6.365
202 HB THR 29 HB THR 29 -3.309 -3.745 4.595
203 HG1 THR 29 1HG THR 29 -4.497 -1.897 4.605
204 HG21 THR 29 3HG2 THR 29 -2.769 -4.947 6.649
205 HG22 THR 29 1HG2 THR 29 -4.514 -4.776 6.457
206 HG23 THR 29 2HG2 THR 29 -3.647 -3.742 7.591
207 H THR 30 H THR 30 -0.074 -3.637 4.727
208 HA THR 30 HA THR 30 0.207 -1.869 2.451
209 HB THR 30 HB THR 30 1.774 -4.177 3.546
210 HG1 THR 30 1HG THR 30 2.782 -2.499 4.285
211 HG21 THR 30 3HG2 THR 30 3.319 -4.013 1.627
212 HG22 THR 30 1HG2 THR 30 2.184 -2.930 0.823
213 HG23 THR 30 2HG2 THR 30 1.726 -4.602 1.148
214 H THR 31 H THR 31 -0.716 -2.193 0.548
215 HA THR 31 HA THR 31 -1.544 -4.896 -0.190
216 HB THR 31 HB THR 31 -3.535 -3.870 0.773
217 HG1 THR 31 1HG THR 31 -4.884 -4.342 -0.882
218 HG21 THR 31 3HG2 THR 31 -3.160 -1.671 -1.256
219 HG22 THR 31 1HG2 THR 31 -2.988 -1.519 0.492
220 HG23 THR 31 2HG2 THR 31 -4.565 -1.871 -0.211
221 H TRP 32 H TRP 32 -0.509 -5.320 -2.018
222 HA TRP 32 HA TRP 32 0.398 -3.175 -3.721
223 HB2 TRP 32 2HB TRP 32 1.906 -5.014 -3.404
224 HB3 TRP 32 1HB TRP 32 0.672 -6.182 -3.838
225 HD1 TRP 32 HD TRP 32 1.969 -7.298 -5.751
226 HE1 TRP 32 1HE TRP 32 2.696 -6.569 -8.100
227 HE3 TRP 32 3HE TRP 32 1.109 -2.274 -5.332
228 HZ2 TRP 32 2HZ TRP 32 2.876 -4.171 -9.590
229 HZ3 TRP 32 3HZ TRP 32 1.586 -0.832 -7.265
230 HH2 TRP 32 HH TRP 32 2.453 -1.768 -9.350
231 H SER 33 H SER 33 -1.354 -2.228 -4.558
232 HA SER 33 HA SER 33 -2.805 -3.719 -6.612
233 HB2 SER 33 2HB SER 33 -4.256 -3.513 -4.596
234 HB3 SER 33 1HB SER 33 -4.085 -1.760 -4.682
235 HG SER 33 HG SER 33 -5.979 -2.955 -5.746
236 H LYS 34 H LYS 34 -3.429 -2.438 -8.404
237 HA LYS 34 HA LYS 34 -2.093 0.159 -8.531
238 HB2 LYS 34 2HB LYS 34 -3.184 -1.659 -10.672
239 HB3 LYS 34 1HB LYS 34 -2.715 0.001 -11.005
240 HG2 LYS 34 2HG LYS 34 -0.778 -1.834 -9.677
241 HG3 LYS 34 1HG LYS 34 -1.048 -1.965 -11.411
242 HD2 LYS 34 2HD LYS 34 0.855 -0.538 -10.962
243 HD3 LYS 34 1HD LYS 34 -0.455 0.408 -11.665
244 HE2 LYS 34 2HE LYS 34 -1.050 1.247 -9.450
245 HE3 LYS 34 1HE LYS 34 0.227 0.271 -8.721
246 HZ1 LYS 34 3HZ LYS 34 0.904 2.579 -9.020
247 HZ2 LYS 34 1HZ LYS 34 0.638 2.468 -10.690
248 HZ3 LYS 34 2HZ LYS 34 1.867 1.553 -9.964
249 HA PRO 35 HA PRO 35 -5.970 2.043 -7.395
250 HB2 PRO 35 2HB PRO 35 -4.541 4.384 -8.567
251 HB3 PRO 35 1HB PRO 35 -5.379 4.235 -7.018
252 HG2 PRO 35 2HG PRO 35 -2.726 4.206 -7.109
253 HG3 PRO 35 1HG PRO 35 -3.603 3.119 -6.013
254 HD2 PRO 35 2HD PRO 35 -2.265 2.521 -8.618
255 HD3 PRO 35 1HD PRO 35 -2.363 1.533 -7.145
256 H THR 36 H THR 36 -7.802 2.220 -8.502
257 HA THR 36 HA THR 36 -7.755 2.143 -11.380
258 HB THR 36 HB THR 36 -10.362 2.225 -10.870
259 HG1 THR 36 1HG THR 36 -10.619 2.410 -8.754
260 HG21 THR 36 3HG2 THR 36 -9.153 0.325 -11.848
261 HG22 THR 36 1HG2 THR 36 -10.339 -0.207 -10.655
262 HG23 THR 36 2HG2 THR 36 -8.627 -0.166 -10.236
263 H MET 37 H MET 37 -9.062 3.569 -12.696
264 HA MET 37 HA MET 37 -9.151 6.296 -11.605
265 HB2 MET 37 2HB MET 37 -8.770 5.385 -14.463
266 HB3 MET 37 1HB MET 37 -8.927 7.062 -13.961
267 HG2 MET 37 2HG MET 37 -6.892 6.896 -12.661
268 HG3 MET 37 1HG MET 37 -6.745 5.189 -13.070
269 HE1 MET 37 3HE MET 37 -4.368 7.340 -13.529
270 HE2 MET 37 1HE MET 37 -3.797 6.786 -15.102
271 HE3 MET 37 2HE MET 37 -4.260 5.612 -13.871
272 H GLN 38 H GLU 38 -11.107 7.144 -11.345
273 HA GLN 38 HA GLU 38 -13.307 6.081 -12.988
274 HB2 GLN 38 2HB GLU 38 -13.477 7.389 -10.270
275 HB3 GLN 38 1HB GLU 38 -14.830 6.765 -11.202
276 HG2 GLN 38 2HG GLU 38 -13.796 4.505 -11.066
277 HG3 GLN 38 1HG GLU 38 -12.583 5.187 -9.985
278 H ASP 39 H ASP 39 -13.724 7.430 -14.583
279 HA ASP 39 HA ASP 39 -13.955 10.277 -14.021
280 HB2 ASP 39 2HB ASP 39 -11.640 9.997 -14.795
281 HB3 ASP 39 1HB ASP 39 -12.214 9.166 -16.237
282 H1 ALA 40 1HT ALA 40 -11.952 -10.887 10.076
283 H2 ALA 40 2HT ALA 40 -12.746 -10.237 8.730
284 H3 ALA 40 3HT ALA 40 -12.657 -9.349 10.174
285 HA ALA 40 HA ALA 40 -10.249 -9.240 9.968
286 HB1 ALA 40 2HB ALA 40 -9.205 -9.904 7.856
287 HB2 ALA 40 3HB ALA 40 -10.747 -10.550 7.296
288 HB3 ALA 40 1HB ALA 40 -9.931 -11.284 8.677
289 HA PRO 41 HA PRO 41 -11.865 -5.555 7.882
290 HB2 PRO 41 2HB PRO 41 -10.984 -3.771 9.664
291 HB3 PRO 41 1HB PRO 41 -12.379 -4.796 10.024
292 HG2 PRO 41 2HG PRO 41 -9.569 -5.009 10.989
293 HG3 PRO 41 1HG PRO 41 -11.081 -5.366 11.842
294 HD2 PRO 41 2HD PRO 41 -9.383 -7.236 10.606
295 HD3 PRO 41 1HD PRO 41 -11.048 -7.530 11.148
296 H LEU 42 H LEU 42 -8.760 -6.710 8.491
297 HA LEU 42 HA LEU 42 -7.451 -4.470 7.095
298 HB2 LEU 42 2HB LEU 42 -6.598 -6.350 9.210
299 HB3 LEU 42 1HB LEU 42 -5.398 -5.992 7.985
300 HG LEU 42 HG LEU 42 -5.550 -3.609 8.489
301 HD11 LEU 42 1HD1 LEU 42 -7.900 -3.528 9.158
302 HD12 LEU 42 2HD1 LEU 42 -6.842 -2.771 10.347
303 HD13 LEU 42 3HD1 LEU 42 -7.498 -4.380 10.651
304 HD21 LEU 42 3HD2 LEU 42 -4.585 -3.675 10.746
305 HD22 LEU 42 1HD2 LEU 42 -3.923 -4.924 9.693
306 HD23 LEU 42 2HD2 LEU 42 -5.126 -5.347 10.913
307 H SEP 43 H SEP 43 -6.211 -4.839 5.294
308 HA SEP 43 HA SEP 43 -6.906 -7.191 3.768
309 HB2 SEP 43 1HB SEP 43 -5.775 -5.994 1.915
310 HB3 SEP 43 2HB SEP 43 -5.256 -4.744 3.055
311 HA PRO 44 HA PRO 44 -3.190 -9.472 4.607
312 HB2 PRO 44 2HB PRO 44 -3.144 -11.056 2.391
313 HB3 PRO 44 1HB PRO 44 -4.242 -11.323 3.751
314 HG2 PRO 44 2HG PRO 44 -4.763 -10.015 1.112
315 HG3 PRO 44 1HG PRO 44 -5.792 -11.122 2.038
316 HD2 PRO 44 2HD PRO 44 -6.171 -8.433 2.002
317 HD3 PRO 44 1HD PRO 44 -6.589 -9.443 3.398
318 H MET 45 H MET 45 -1.154 -8.846 4.386
319 HA MET 45 HA MET 45 -0.395 -7.162 2.154
320 HB2 MET 45 2HB MET 45 1.226 -7.973 4.577
321 HB3 MET 45 1HB MET 45 1.629 -6.699 3.438
322 HG2 MET 45 2HG MET 45 -0.460 -5.531 4.111
323 HG3 MET 45 1HG MET 45 -0.676 -6.753 5.360
324 HE1 MET 45 3HE MET 45 2.538 -6.152 7.569
325 HE2 MET 45 1HE MET 45 2.448 -7.221 6.171
326 HE3 MET 45 2HE MET 45 1.113 -7.159 7.322
327 H SEP 46 H SEP 46 0.680 -7.842 0.430
328 HA SEP 46 HA SEP 46 1.763 -10.536 0.424
329 HB2 SEP 46 1HB SEP 46 1.893 -10.251 -2.024
330 HB3 SEP 46 2HB SEP 46 1.330 -8.585 -1.847
331 HA PRO 47 HA PRO 47 5.771 -8.258 -0.482
332 HB2 PRO 47 2HB PRO 47 5.909 -5.601 -0.856
333 HB3 PRO 47 1HB PRO 47 5.442 -6.706 -2.154
334 HG2 PRO 47 2HG PRO 47 3.776 -4.856 -0.556
335 HG3 PRO 47 1HG PRO 47 3.535 -5.447 -2.206
336 HD2 PRO 47 2HD PRO 47 2.275 -6.395 0.156
337 HD3 PRO 47 1HD PRO 47 2.171 -7.095 -1.470
338 HA PRO 48 HA PRO 48 6.616 -7.192 3.743
339 HB2 PRO 48 2HB PRO 48 9.288 -6.928 3.631
340 HB3 PRO 48 1HB PRO 48 8.508 -8.497 3.399
341 HG2 PRO 48 2HG PRO 48 9.457 -6.546 1.318
342 HG3 PRO 48 1HG PRO 48 9.783 -8.293 1.430
343 HD2 PRO 48 2HD PRO 48 7.861 -7.308 -0.171
344 HD3 PRO 48 1HD PRO 48 7.656 -8.851 0.686
345 H GLY 49 H GLY 49 8.167 -5.553 4.954
346 HA2 GLY 49 2HA GLY 49 9.312 -3.384 4.707
347 HA3 GLY 49 1HA GLY 49 8.034 -2.937 3.587
348 H TYR 50 H TYR 50 5.756 -3.401 4.704
349 HA TYR 50 HA TYR 50 5.724 -1.619 7.006
350 HB2 TYR 50 2HB TYR 50 4.087 -1.707 4.921
351 HB3 TYR 50 1HB TYR 50 3.255 -2.906 5.903
352 HD1 TYR 50 1HD TYR 50 4.566 0.584 6.110
353 HD2 TYR 50 2HD TYR 50 1.671 -2.248 7.407
354 HE1 TYR 50 1HE TYR 50 3.350 2.370 7.283
355 HE2 TYR 50 2HE TYR 50 0.449 -0.474 8.579
356 HH TYR 50 HH TYR 50 0.981 1.793 9.569
357 H LYS 51 H LYS 51 5.650 -2.302 9.026
358 HA LYS 51 HA LYS 51 5.471 -3.626 10.867
359 HB2 LYS 51 2HB LYS 51 3.803 -5.396 9.069
360 HB3 LYS 51 1HB LYS 51 4.012 -5.645 10.797
361 HG2 LYS 51 2HG LYS 51 2.856 -3.135 9.613
362 HG3 LYS 51 1HG LYS 51 1.880 -4.517 10.117
363 HD2 LYS 51 2HD LYS 51 2.715 -4.301 12.391
364 HD3 LYS 51 1HD LYS 51 3.772 -2.977 11.898
365 HE2 LYS 51 2HE LYS 51 1.886 -1.580 11.408
366 HE3 LYS 51 1HE LYS 51 0.770 -2.921 11.658
367 HZ1 LYS 51 3HZ LYS 51 0.887 -1.370 13.549
368 HZ2 LYS 51 1HZ LYS 51 2.519 -1.781 13.773
369 HZ3 LYS 51 2HZ LYS 51 1.310 -2.958 13.966
370 H LEU 52 H LEU 52 7.221 -4.137 8.313
371 HA LEU 52 HA LEU 52 9.036 -5.336 7.743
372 HB2 LEU 52 2HB LEU 52 8.792 -6.477 10.523
373 HB3 LEU 52 1HB LEU 52 10.148 -6.754 9.446
374 HG LEU 52 HG LEU 52 9.305 -4.071 10.558
375 HD11 LEU 52 1HD1 LEU 52 11.668 -5.835 11.203
376 HD12 LEU 52 2HD1 LEU 52 10.291 -5.509 12.255
377 HD13 LEU 52 3HD1 LEU 52 11.398 -4.206 11.824
378 HD21 LEU 52 3HD2 LEU 52 11.380 -3.239 9.564
379 HD22 LEU 52 1HD2 LEU 52 10.290 -3.878 8.332
380 HD23 LEU 52 2HD2 LEU 52 11.678 -4.828 8.856
381 H VAL 53 H VAL 53 7.642 -7.884 9.779
382 HA VAL 53 HA VAL 53 6.705 -9.305 7.409
383 HB VAL 53 HB VAL 53 8.644 -10.566 9.370
384 HG11 VAL 53 1HG1 VAL 53 6.910 -12.118 8.661
385 HG12 VAL 53 2HG1 VAL 53 8.475 -12.561 7.976
386 HG13 VAL 53 3HG1 VAL 53 7.266 -11.764 6.972
387 HG21 VAL 53 3HG2 VAL 53 10.130 -10.839 7.450
388 HG22 VAL 53 1HG2 VAL 53 9.805 -9.138 7.792
389 HG23 VAL 53 2HG2 VAL 53 8.994 -9.938 6.445
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 1.549 11.690 0.145
2 H2 GLY 1 2HT GLY 1 3.089 12.253 -0.288
3 H3 GLY 1 3HT GLY 1 2.853 10.616 0.064
4 HA2 GLY 1 1HA GLY 1 3.035 10.936 -2.312
5 HA3 GLY 1 2HA GLY 1 1.446 10.340 -1.856
6 H SER 2 H SER 2 1.239 13.312 -0.732
7 HA SER 2 HA SER 2 0.440 15.323 -1.392
8 HB2 SER 2 2HB SER 2 1.572 14.605 -4.114
9 HB3 SER 2 1HB SER 2 1.090 16.216 -3.582
10 HG SER 2 HG SER 2 3.451 15.397 -3.411
11 H SER 3 H SER 3 -0.973 16.287 -3.437
12 HA SER 3 HA SER 3 -3.315 14.594 -3.443
13 HB2 SER 3 2HB SER 3 -3.423 17.096 -3.108
14 HB3 SER 3 1HB SER 3 -2.959 17.279 -4.800
15 HG SER 3 HG SER 3 -4.845 16.299 -5.430
16 H SER 4 H SER 4 -3.006 12.893 -4.761
17 HA SER 4 HA SER 4 -2.306 13.446 -7.564
18 HB2 SER 4 2HB SER 4 -1.367 11.041 -7.487
19 HB3 SER 4 1HB SER 4 -0.424 12.319 -6.719
20 HG SER 4 HG SER 4 -0.716 11.400 -4.852
21 H GLY 5 H GLY 5 -3.610 10.744 -5.639
22 HA2 GLY 5 2HA GLY 5 -6.231 10.794 -6.447
23 HA3 GLY 5 1HA GLY 5 -5.387 9.956 -7.743
24 H LEU 6 H LEU 6 -4.484 9.801 -4.366
25 HA LEU 6 HA LEU 6 -5.075 6.923 -4.401
26 HB2 LEU 6 2HB LEU 6 -3.425 6.881 -2.447
27 HB3 LEU 6 1HB LEU 6 -2.775 7.139 -4.053
28 HG LEU 6 HG LEU 6 -2.839 9.646 -3.469
29 HD11 LEU 6 1HD1 LEU 6 -2.635 10.183 -1.104
30 HD12 LEU 6 2HD1 LEU 6 -2.965 8.503 -0.681
31 HD13 LEU 6 3HD1 LEU 6 -4.213 9.479 -1.459
32 HD21 LEU 6 3HD2 LEU 6 -0.925 7.748 -2.127
33 HD22 LEU 6 1HD2 LEU 6 -0.650 9.478 -2.339
34 HD23 LEU 6 2HD2 LEU 6 -0.792 8.427 -3.748
35 HA PRO 7 HA PRO 7 -8.173 7.384 -1.276
36 HB2 PRO 7 2HB PRO 7 -6.985 4.985 0.015
37 HB3 PRO 7 1HB PRO 7 -8.639 5.256 -0.548
38 HG2 PRO 7 2HG PRO 7 -7.026 3.663 -1.932
39 HG3 PRO 7 1HG PRO 7 -8.094 4.805 -2.773
40 HD2 PRO 7 2HD PRO 7 -5.161 5.060 -2.178
41 HD3 PRO 7 1HD PRO 7 -6.033 5.396 -3.686
42 HA PRO 8 HA PRO 8 -6.340 9.649 1.999
43 HB2 PRO 8 2HB PRO 8 -8.148 9.098 4.030
44 HB3 PRO 8 1HB PRO 8 -8.352 10.342 2.793
45 HG2 PRO 8 2HG PRO 8 -9.498 7.589 2.922
46 HG3 PRO 8 1HG PRO 8 -10.239 9.092 2.344
47 HD2 PRO 8 2HD PRO 8 -9.316 7.230 0.645
48 HD3 PRO 8 1HD PRO 8 -9.194 8.965 0.284
49 H GLY 9 H GLY 9 -4.481 8.920 2.827
50 HA2 GLY 9 2HA GLY 9 -3.394 8.109 4.801
51 HA3 GLY 9 1HA GLY 9 -4.651 6.890 4.947
52 H TRP 10 H TRP 10 -3.744 7.095 1.745
53 HA TRP 10 HA TRP 10 -2.061 4.718 2.003
54 HB2 TRP 10 2HB TRP 10 -3.474 5.976 -0.355
55 HB3 TRP 10 1HB TRP 10 -2.353 4.629 -0.521
56 HD1 TRP 10 HD TRP 10 -5.216 5.074 2.072
57 HE1 TRP 10 1HE TRP 10 -6.766 3.023 1.879
58 HE3 TRP 10 3HE TRP 10 -2.937 2.712 -1.833
59 HZ2 TRP 10 2HZ TRP 10 -6.977 0.699 0.277
60 HZ3 TRP 10 3HZ TRP 10 -3.865 0.590 -2.646
61 HH2 TRP 10 HH TRP 10 -5.847 -0.399 -1.608
62 H GLU 11 H GLU 11 0.078 4.912 1.982
63 HA GLU 11 HA GLU 11 1.289 7.253 0.683
64 HB2 GLU 11 2HB GLU 11 2.312 5.265 2.682
65 HB3 GLU 11 1HB GLU 11 3.430 6.216 1.726
66 HG2 GLU 11 2HG GLU 11 2.302 8.260 2.606
67 HG3 GLU 11 1HG GLU 11 1.416 7.205 3.712
68 H GLU 12 H GLU 12 2.808 7.073 -0.928
69 HA GLU 12 HA GLU 12 3.000 4.528 -2.319
70 HB2 GLU 12 2HB GLU 12 2.617 6.687 -3.542
71 HB3 GLU 12 1HB GLU 12 4.208 7.217 -3.022
72 HG2 GLU 12 2HG GLU 12 3.916 4.675 -4.554
73 HG3 GLU 12 1HG GLU 12 3.858 6.223 -5.394
74 H LYS 13 H LYS 13 4.460 3.146 -1.583
75 HA LYS 13 HA LYS 13 7.089 4.130 -0.741
76 HB2 LYS 13 2HB LYS 13 5.237 2.377 0.870
77 HB3 LYS 13 1HB LYS 13 6.975 2.390 1.145
78 HG2 LYS 13 2HG LYS 13 5.221 4.836 1.300
79 HG3 LYS 13 1HG LYS 13 5.695 3.858 2.689
80 HD2 LYS 13 2HD LYS 13 8.002 4.368 2.362
81 HD3 LYS 13 1HD LYS 13 7.669 5.130 0.807
82 HE2 LYS 13 2HE LYS 13 8.048 6.836 2.467
83 HE3 LYS 13 1HE LYS 13 6.364 6.876 1.957
84 HZ1 LYS 13 3HZ LYS 13 7.281 5.489 4.412
85 HZ2 LYS 13 1HZ LYS 13 5.682 5.878 3.971
86 HZ3 LYS 13 2HZ LYS 13 6.772 7.106 4.393
87 H GLN 14 H GLN 14 8.459 1.971 -0.215
88 HA GLN 14 HA GLN 14 8.052 0.269 -2.581
89 HB2 GLN 14 2HB GLN 14 10.391 0.244 -3.001
90 HB3 GLN 14 1HB GLN 14 9.929 1.926 -2.796
91 HG2 GLN 14 2HG GLN 14 11.236 0.211 -0.699
92 HG3 GLN 14 1HG GLN 14 12.067 1.371 -1.725
93 HE21 GLN 14 1HE2 GLN 14 10.006 0.896 1.001
94 HE22 GLN 14 2HE2 GLN 14 10.057 2.527 1.590
95 H ASP 15 H ASP 15 8.742 -1.912 -2.443
96 HA ASP 15 HA ASP 15 8.726 -2.965 0.291
97 HB2 ASP 15 2HB ASP 15 8.121 -5.065 -0.622
98 HB3 ASP 15 1HB ASP 15 7.201 -3.869 -1.520
99 H ASP 16 H ASP 16 10.086 -5.285 0.097
100 HA ASP 16 HA ASP 16 12.743 -4.547 0.475
101 HB2 ASP 16 2HB ASP 16 11.571 -7.272 -0.109
102 HB3 ASP 16 1HB ASP 16 13.216 -6.997 0.446
103 H ARG 17 H ARG 17 11.065 -5.415 -2.417
104 HA ARG 17 HA ARG 17 13.496 -6.029 -3.896
105 HB2 ARG 17 2HB ARG 17 10.588 -5.947 -4.745
106 HB3 ARG 17 1HB ARG 17 11.922 -6.444 -5.776
107 HG2 ARG 17 2HG ARG 17 12.351 -8.361 -4.442
108 HG3 ARG 17 1HG ARG 17 11.243 -7.806 -3.183
109 HD2 ARG 17 2HD ARG 17 10.465 -8.544 -6.006
110 HD3 ARG 17 1HD ARG 17 10.266 -9.579 -4.591
111 HE ARG 17 HE ARG 17 8.982 -7.182 -4.002
112 HH11 ARG 17 1HH1 ARG 17 8.670 -9.735 -6.399
113 HH12 ARG 17 2HH1 ARG 17 6.943 -9.555 -6.541
114 HH21 ARG 17 1HH2 ARG 17 6.754 -6.916 -4.209
115 HH22 ARG 17 2HH2 ARG 17 5.849 -7.931 -5.296
116 H GLY 18 H GLY 18 11.639 -3.328 -3.109
117 HA2 GLY 18 2HA GLY 18 12.213 -1.117 -3.678
118 HA3 GLY 18 1HA GLY 18 13.074 -1.723 -5.086
119 H ARG 19 H ARG 19 9.978 -3.070 -4.580
120 HA ARG 19 HA ARG 19 8.973 -1.789 -6.983
121 HB2 ARG 19 2HB ARG 19 7.717 -3.787 -5.096
122 HB3 ARG 19 1HB ARG 19 6.973 -3.216 -6.580
123 HG2 ARG 19 2HG ARG 19 9.576 -4.716 -6.422
124 HG3 ARG 19 1HG ARG 19 8.006 -5.423 -6.812
125 HD2 ARG 19 2HD ARG 19 9.388 -3.248 -8.387
126 HD3 ARG 19 1HD ARG 19 9.353 -4.955 -8.823
127 HE ARG 19 HE ARG 19 6.719 -3.924 -8.491
128 HH11 ARG 19 1HH1 ARG 19 9.440 -3.894 -10.685
129 HH12 ARG 19 2HH1 ARG 19 8.465 -3.683 -12.100
130 HH21 ARG 19 1HH2 ARG 19 5.420 -3.651 -10.355
131 HH22 ARG 19 2HH2 ARG 19 6.175 -3.553 -11.916
132 H SER 20 H SER 20 7.526 -0.184 -7.076
133 HA SER 20 HA SER 20 6.814 1.218 -4.698
134 HB2 SER 20 2HB SER 20 7.185 2.486 -6.733
135 HB3 SER 20 1HB SER 20 5.925 1.590 -7.578
136 HG SER 20 HG SER 20 5.680 3.499 -5.502
137 H TYR 21 H TYR 21 5.348 0.477 -3.370
138 HA TYR 21 HA TYR 21 2.813 -0.487 -4.477
139 HB2 TYR 21 2HB TYR 21 2.541 -1.992 -2.613
140 HB3 TYR 21 1HB TYR 21 4.102 -2.316 -3.358
141 HD1 TYR 21 1HD TYR 21 2.668 -0.238 -0.599
142 HD2 TYR 21 2HD TYR 21 5.904 -2.656 -1.916
143 HE1 TYR 21 1HE TYR 21 3.747 0.005 1.588
144 HE2 TYR 21 2HE TYR 21 6.979 -2.428 0.279
145 HH TYR 21 HH TYR 21 5.342 -1.222 2.980
146 H TYR 22 H TYR 22 1.136 -0.344 -2.459
147 HA TYR 22 HA TYR 22 1.548 2.317 -1.286
148 HB2 TYR 22 2HB TYR 22 -0.892 1.238 -2.664
149 HB3 TYR 22 1HB TYR 22 -1.040 2.480 -1.427
150 HD1 TYR 22 2HD TYR 22 1.106 1.824 -4.414
151 HD2 TYR 22 1HD TYR 22 -1.195 4.640 -2.216
152 HE1 TYR 22 2HE TYR 22 1.602 3.541 -6.102
153 HE2 TYR 22 1HE TYR 22 -0.717 6.364 -3.900
154 HH TYR 22 HH TYR 22 0.524 5.698 -6.923
155 H VAL 23 H VAL 23 1.091 2.560 0.807
156 HA VAL 23 HA VAL 23 0.140 0.169 2.234
157 HB VAL 23 HB VAL 23 2.414 0.566 2.846
158 HG11 VAL 23 1HG1 VAL 23 1.618 3.403 3.477
159 HG12 VAL 23 2HG1 VAL 23 2.636 2.876 2.134
160 HG13 VAL 23 3HG1 VAL 23 3.195 2.682 3.795
161 HG21 VAL 23 3HG2 VAL 23 2.206 1.024 5.271
162 HG22 VAL 23 1HG2 VAL 23 0.995 -0.112 4.675
163 HG23 VAL 23 2HG2 VAL 23 0.547 1.562 5.001
164 H ASP 24 H ASP 24 -1.699 0.303 3.236
165 HA ASP 24 HA ASP 24 -3.077 2.825 3.576
166 HB2 ASP 24 2HB ASP 24 -4.439 0.983 2.882
167 HB3 ASP 24 1HB ASP 24 -3.816 -0.048 4.168
168 H HIS 25 H HIS 25 -2.643 4.066 5.275
169 HA HIS 25 HA HIS 25 -1.437 2.942 7.652
170 HB2 HIS 25 2HB HIS 25 -2.095 5.762 6.833
171 HB3 HIS 25 1HB HIS 25 -1.456 5.362 8.425
172 HD1 HIS 25 1HD HIS 25 1.016 4.954 8.624
173 HD2 HIS 25 2HD HIS 25 -0.262 5.254 4.675
174 HE1 HIS 25 1HE HIS 25 3.109 5.005 7.228
175 HE2 HIS 25 2HE HIS 25 2.321 5.423 4.888
176 H ASN 26 H ASN 26 -4.575 3.317 6.645
177 HA ASN 26 HA ASN 26 -5.797 4.207 9.068
178 HB2 ASN 26 2HB ASN 26 -7.017 2.654 6.768
179 HB3 ASN 26 1HB ASN 26 -7.913 3.461 8.051
180 HD21 ASN 26 1HD2 ASN 26 -6.276 3.803 5.053
181 HD22 ASN 26 2HD2 ASN 26 -6.599 5.498 4.826
182 H SER 27 H SER 27 -5.321 1.035 7.561
183 HA SER 27 HA SER 27 -6.066 -0.224 10.124
184 HB2 SER 27 2HB SER 27 -6.058 -1.485 7.375
185 HB3 SER 27 1HB SER 27 -6.741 -2.159 8.858
186 HG SER 27 HG SER 27 -8.446 -0.906 8.671
187 H LYS 28 H LYS 28 -3.495 0.562 8.201
188 HA LYS 28 HA LYS 28 -1.297 0.026 8.123
189 HB2 LYS 28 2HB LYS 28 -1.962 -1.772 10.465
190 HB3 LYS 28 1HB LYS 28 -0.334 -1.483 9.865
191 HG2 LYS 28 2HG LYS 28 -0.463 0.833 10.465
192 HG3 LYS 28 1HG LYS 28 -2.171 0.673 10.891
193 HD2 LYS 28 2HD LYS 28 -0.875 0.676 12.906
194 HD3 LYS 28 1HD LYS 28 -1.509 -0.950 12.658
195 HE2 LYS 28 2HE LYS 28 0.772 -1.122 13.368
196 HE3 LYS 28 1HE LYS 28 0.678 -1.589 11.672
197 HZ1 LYS 28 3HZ LYS 28 1.742 0.332 10.993
198 HZ2 LYS 28 1HZ LYS 28 2.539 -0.002 12.451
199 HZ3 LYS 28 2HZ LYS 28 1.341 1.189 12.398
200 H THR 29 H THR 29 -1.911 -0.866 6.061
201 HA THR 29 HA THR 29 -1.390 -3.751 5.928
202 HB THR 29 HB THR 29 -3.544 -2.452 4.259
203 HG1 THR 29 1HG THR 29 -3.621 -3.443 6.865
204 HG21 THR 29 3HG2 THR 29 -4.223 -4.756 3.838
205 HG22 THR 29 1HG2 THR 29 -2.948 -5.343 4.913
206 HG23 THR 29 2HG2 THR 29 -2.528 -4.531 3.408
207 H THR 30 H THR 30 0.097 -4.206 4.420
208 HA THR 30 HA THR 30 0.810 -2.179 2.451
209 HB THR 30 HB THR 30 2.673 -3.152 3.656
210 HG1 THR 30 1HG THR 30 3.778 -4.175 1.753
211 HG21 THR 30 3HG2 THR 30 1.730 -5.278 4.311
212 HG22 THR 30 1HG2 THR 30 3.230 -5.555 3.432
213 HG23 THR 30 2HG2 THR 30 1.678 -5.809 2.628
214 H THR 31 H THR 31 0.212 -2.322 0.356
215 HA THR 31 HA THR 31 -0.477 -4.947 -0.740
216 HB THR 31 HB THR 31 -2.615 -3.898 0.003
217 HG1 THR 31 1HG THR 31 -2.532 -5.268 -1.907
218 HG21 THR 31 3HG2 THR 31 -1.954 -1.543 -0.320
219 HG22 THR 31 1HG2 THR 31 -3.479 -1.926 -1.117
220 HG23 THR 31 2HG2 THR 31 -1.998 -1.791 -2.066
221 H TRP 32 H TRP 32 -0.784 -4.698 -3.196
222 HA TRP 32 HA TRP 32 1.543 -3.516 -4.265
223 HB2 TRP 32 2HB TRP 32 0.475 -4.071 -6.506
224 HB3 TRP 32 1HB TRP 32 0.754 -5.420 -5.413
225 HD1 TRP 32 HD TRP 32 -1.426 -6.516 -4.258
226 HE1 TRP 32 1HE TRP 32 -3.892 -6.577 -5.014
227 HE3 TRP 32 3HE TRP 32 -1.304 -2.768 -7.711
228 HZ2 TRP 32 2HZ TRP 32 -5.563 -5.189 -6.834
229 HZ3 TRP 32 3HZ TRP 32 -3.360 -2.174 -8.905
230 HH2 TRP 32 HH TRP 32 -5.452 -3.376 -8.484
231 H SER 33 H SER 33 1.093 -2.182 -6.482
232 HA SER 33 HA SER 33 0.826 0.425 -5.584
233 HB2 SER 33 2HB SER 33 0.684 0.982 -8.049
234 HB3 SER 33 1HB SER 33 2.044 -0.045 -7.591
235 HG SER 33 HG SER 33 -0.387 -1.204 -8.409
236 H LYS 34 H LYS 34 -0.763 2.063 -6.112
237 HA LYS 34 HA LYS 34 -3.200 1.593 -5.027
238 HB2 LYS 34 2HB LYS 34 -3.905 3.695 -5.836
239 HB3 LYS 34 1HB LYS 34 -2.166 3.821 -5.611
240 HG2 LYS 34 2HG LYS 34 -1.766 3.653 -7.950
241 HG3 LYS 34 1HG LYS 34 -3.440 3.204 -8.262
242 HD2 LYS 34 2HD LYS 34 -2.609 5.853 -7.096
243 HD3 LYS 34 1HD LYS 34 -2.895 5.578 -8.816
244 HE2 LYS 34 2HE LYS 34 -4.951 4.931 -6.725
245 HE3 LYS 34 1HE LYS 34 -4.829 6.537 -7.438
246 HZ1 LYS 34 3HZ LYS 34 -6.471 5.275 -8.616
247 HZ2 LYS 34 1HZ LYS 34 -5.392 3.997 -8.882
248 HZ3 LYS 34 2HZ LYS 34 -5.137 5.491 -9.640
249 HA PRO 35 HA PRO 35 -6.017 -0.599 -7.722
250 HB2 PRO 35 2HB PRO 35 -8.031 1.419 -7.401
251 HB3 PRO 35 1HB PRO 35 -7.933 -0.142 -6.582
252 HG2 PRO 35 2HG PRO 35 -7.115 2.539 -5.639
253 HG3 PRO 35 1HG PRO 35 -7.612 1.114 -4.709
254 HD2 PRO 35 2HD PRO 35 -5.054 1.919 -4.784
255 HD3 PRO 35 1HD PRO 35 -5.488 0.195 -4.736
256 H THR 36 H THR 36 -5.923 -0.533 -9.870
257 HA THR 36 HA THR 36 -5.405 2.003 -11.195
258 HB THR 36 HB THR 36 -5.103 0.441 -13.216
259 HG1 THR 36 1HG THR 36 -4.744 -1.747 -12.643
260 HG21 THR 36 3HG2 THR 36 -3.286 0.210 -10.809
261 HG22 THR 36 1HG2 THR 36 -3.221 1.454 -12.057
262 HG23 THR 36 2HG2 THR 36 -2.836 -0.219 -12.459
263 H MET 37 H MET 37 -7.547 -0.793 -11.653
264 HA MET 37 HA MET 37 -9.660 -0.996 -12.484
265 HB2 MET 37 2HB MET 37 -9.732 2.006 -12.101
266 HB3 MET 37 1HB MET 37 -11.120 1.030 -12.548
267 HG2 MET 37 2HG MET 37 -11.090 -0.092 -10.439
268 HG3 MET 37 1HG MET 37 -9.561 0.670 -10.003
269 HE1 MET 37 3HE MET 37 -13.420 3.126 -10.607
270 HE2 MET 37 1HE MET 37 -13.309 1.402 -10.973
271 HE3 MET 37 2HE MET 37 -12.391 2.567 -11.926
272 H GLN 38 H GLU 38 -11.101 0.540 -14.249
273 HA GLN 38 HA GLU 38 -9.233 1.192 -16.417
274 HB2 GLN 38 2HB GLU 38 -10.950 -0.912 -16.557
275 HB3 GLN 38 1HB GLU 38 -11.986 0.374 -17.158
276 HG2 GLN 38 2HG GLU 38 -9.259 -0.234 -18.267
277 HG3 GLN 38 1HG GLU 38 -10.763 -0.874 -18.923
278 H ASP 39 H ASP 39 -9.283 3.271 -15.444
279 HA ASP 39 HA ASP 39 -11.778 4.777 -15.852
280 HB2 ASP 39 2HB ASP 39 -11.449 4.335 -13.450
281 HB3 ASP 39 1HB ASP 39 -9.834 5.023 -13.534
282 H1 ALA 40 1HT ALA 40 -8.039 0.067 4.389
283 H2 ALA 40 2HT ALA 40 -7.526 0.188 5.996
284 H3 ALA 40 3HT ALA 40 -7.749 1.585 5.070
285 HA ALA 40 HA ALA 40 -9.545 1.219 6.655
286 HB1 ALA 40 2HB ALA 40 -10.447 0.962 3.790
287 HB2 ALA 40 3HB ALA 40 -9.900 2.456 4.550
288 HB3 ALA 40 1HB ALA 40 -11.355 1.652 5.137
289 HA PRO 41 HA PRO 41 -11.606 -2.932 5.600
290 HB2 PRO 41 2HB PRO 41 -10.785 -4.481 3.579
291 HB3 PRO 41 1HB PRO 41 -11.873 -3.114 3.312
292 HG2 PRO 41 2HG PRO 41 -8.913 -3.285 2.888
293 HG3 PRO 41 1HG PRO 41 -10.153 -2.574 1.840
294 HD2 PRO 41 2HD PRO 41 -8.579 -1.107 3.527
295 HD3 PRO 41 1HD PRO 41 -10.212 -0.616 3.033
296 H LEU 42 H LEU 42 -8.207 -2.621 5.519
297 HA LEU 42 HA LEU 42 -6.465 -3.721 6.425
298 HB2 LEU 42 2HB LEU 42 -7.803 -3.662 8.472
299 HB3 LEU 42 1HB LEU 42 -8.605 -5.149 8.008
300 HG LEU 42 HG LEU 42 -6.556 -6.405 8.294
301 HD11 LEU 42 1HD1 LEU 42 -4.982 -4.691 7.511
302 HD12 LEU 42 2HD1 LEU 42 -4.496 -5.369 9.065
303 HD13 LEU 42 3HD1 LEU 42 -5.255 -3.777 8.994
304 HD21 LEU 42 3HD2 LEU 42 -7.922 -6.043 10.268
305 HD22 LEU 42 1HD2 LEU 42 -7.061 -4.540 10.599
306 HD23 LEU 42 2HD2 LEU 42 -6.210 -6.082 10.697
307 H SEP 43 H SEP 43 -8.307 -6.634 6.936
308 HA SEP 43 HA SEP 43 -8.160 -8.707 6.051
309 HB2 SEP 43 1HB SEP 43 -8.056 -8.880 3.573
310 HB3 SEP 43 2HB SEP 43 -7.652 -7.159 3.488
311 HA PRO 44 HA PRO 44 -3.982 -10.227 5.966
312 HB2 PRO 44 2HB PRO 44 -4.358 -11.571 3.355
313 HB3 PRO 44 1HB PRO 44 -3.877 -12.249 4.912
314 HG2 PRO 44 2HG PRO 44 -6.319 -12.673 3.938
315 HG3 PRO 44 1HG PRO 44 -6.057 -12.404 5.673
316 HD2 PRO 44 2HD PRO 44 -7.095 -10.517 3.592
317 HD3 PRO 44 1HD PRO 44 -7.623 -10.741 5.274
318 H MET 45 H MET 45 -2.017 -9.491 5.372
319 HA MET 45 HA MET 45 -1.855 -7.523 3.273
320 HB2 MET 45 2HB MET 45 0.367 -8.640 4.998
321 HB3 MET 45 1HB MET 45 0.465 -7.205 3.987
322 HG2 MET 45 2HG MET 45 0.169 -6.378 6.134
323 HG3 MET 45 1HG MET 45 -1.439 -6.284 5.415
324 HE1 MET 45 3HE MET 45 -2.276 -7.097 9.136
325 HE2 MET 45 1HE MET 45 -2.591 -6.034 7.767
326 HE3 MET 45 2HE MET 45 -0.997 -6.044 8.524
327 H SEP 46 H SEP 46 -0.524 -7.634 1.416
328 HA SEP 46 HA SEP 46 -0.279 -10.385 0.466
329 HB2 SEP 46 1HB SEP 46 -0.340 -9.399 -1.805
330 HB3 SEP 46 2HB SEP 46 -0.448 -7.793 -1.077
331 HA PRO 47 HA PRO 47 3.961 -9.012 -0.894
332 HB2 PRO 47 2HB PRO 47 4.658 -6.490 -1.347
333 HB3 PRO 47 1HB PRO 47 3.503 -7.311 -2.407
334 HG2 PRO 47 2HG PRO 47 3.041 -5.237 -0.333
335 HG3 PRO 47 1HG PRO 47 2.146 -5.556 -1.829
336 HD2 PRO 47 2HD PRO 47 1.462 -6.415 0.805
337 HD3 PRO 47 1HD PRO 47 0.646 -6.835 -0.713
338 HA PRO 48 HA PRO 48 6.420 -8.043 2.724
339 HB2 PRO 48 2HB PRO 48 8.846 -7.432 1.719
340 HB3 PRO 48 1HB PRO 48 8.191 -9.073 1.634
341 HG2 PRO 48 2HG PRO 48 8.232 -6.942 -0.469
342 HG3 PRO 48 1HG PRO 48 8.622 -8.665 -0.620
343 HD2 PRO 48 2HD PRO 48 6.222 -7.632 -1.352
344 HD3 PRO 48 1HD PRO 48 6.409 -9.285 -0.730
345 H GLY 49 H GLY 49 8.666 -6.158 2.684
346 HA2 GLY 49 2HA GLY 49 9.102 -3.906 2.912
347 HA3 GLY 49 1HA GLY 49 7.571 -3.555 2.121
348 H TYR 50 H TYR 50 5.846 -3.001 3.330
349 HA TYR 50 HA TYR 50 6.294 -2.365 6.091
350 HB2 TYR 50 2HB TYR 50 4.930 -1.007 4.416
351 HB3 TYR 50 1HB TYR 50 3.664 -2.217 4.606
352 HD1 TYR 50 1HD TYR 50 5.590 0.409 6.341
353 HD2 TYR 50 2HD TYR 50 2.244 -2.214 6.532
354 HE1 TYR 50 1HE TYR 50 4.754 1.629 8.306
355 HE2 TYR 50 2HE TYR 50 1.397 -0.999 8.498
356 HH TYR 50 HH TYR 50 2.817 2.000 9.550
357 H LYS 51 H LYS 51 6.696 -4.602 6.778
358 HA LYS 51 HA LYS 51 4.175 -5.920 7.511
359 HB2 LYS 51 2HB LYS 51 5.429 -6.978 5.507
360 HB3 LYS 51 1HB LYS 51 6.592 -7.517 6.709
361 HG2 LYS 51 2HG LYS 51 5.008 -9.271 6.230
362 HG3 LYS 51 1HG LYS 51 4.800 -8.703 7.890
363 HD2 LYS 51 2HD LYS 51 2.893 -7.365 7.225
364 HD3 LYS 51 1HD LYS 51 3.134 -7.819 5.538
365 HE2 LYS 51 2HE LYS 51 2.393 -9.659 7.810
366 HE3 LYS 51 1HE LYS 51 1.329 -9.117 6.508
367 HZ1 LYS 51 3HZ LYS 51 1.995 -11.182 5.782
368 HZ2 LYS 51 1HZ LYS 51 3.571 -11.029 6.401
369 HZ3 LYS 51 2HZ LYS 51 3.123 -10.181 5.002
370 H LEU 52 H LEU 52 6.634 -4.314 8.676
371 HA LEU 52 HA LEU 52 6.574 -5.740 11.193
372 HB2 LEU 52 2HB LEU 52 8.930 -5.897 11.516
373 HB3 LEU 52 1HB LEU 52 8.560 -6.664 9.987
374 HG LEU 52 HG LEU 52 9.638 -3.850 10.198
375 HD11 LEU 52 1HD1 LEU 52 11.818 -4.828 9.621
376 HD12 LEU 52 2HD1 LEU 52 11.127 -6.441 9.796
377 HD13 LEU 52 3HD1 LEU 52 11.239 -5.375 11.196
378 HD21 LEU 52 3HD2 LEU 52 9.560 -5.814 7.906
379 HD22 LEU 52 1HD2 LEU 52 10.228 -4.181 7.861
380 HD23 LEU 52 2HD2 LEU 52 8.497 -4.420 8.096
381 H VAL 53 H VAL 53 7.158 -4.422 12.988
382 HA VAL 53 HA VAL 53 7.278 -1.541 12.363
383 HB VAL 53 HB VAL 53 6.081 -2.804 14.842
384 HG11 VAL 53 1HG1 VAL 53 7.008 -0.601 15.266
385 HG12 VAL 53 2HG1 VAL 53 5.246 -0.531 15.286
386 HG13 VAL 53 3HG1 VAL 53 6.136 0.057 13.880
387 HG21 VAL 53 3HG2 VAL 53 3.915 -2.098 13.945
388 HG22 VAL 53 1HG2 VAL 53 4.702 -3.266 12.882
389 HG23 VAL 53 2HG2 VAL 53 4.703 -1.551 12.467
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -11.125 15.740 -14.402
2 H2 GLY 1 2HT GLY 1 -9.774 16.557 -15.027
3 H3 GLY 1 3HT GLY 1 -11.261 17.361 -14.886
4 HA2 GLY 1 1HA GLY 1 -9.712 18.013 -13.121
5 HA3 GLY 1 2HA GLY 1 -11.168 17.247 -12.497
6 H SER 2 H SER 2 -8.346 15.714 -14.021
7 HA SER 2 HA SER 2 -8.129 13.924 -11.753
8 HB2 SER 2 2HB SER 2 -7.858 13.098 -14.093
9 HB3 SER 2 1HB SER 2 -6.397 14.074 -14.239
10 HG SER 2 HG SER 2 -5.642 12.133 -13.626
11 H SER 3 H SER 3 -7.421 15.142 -10.044
12 HA SER 3 HA SER 3 -5.224 16.978 -10.315
13 HB2 SER 3 2HB SER 3 -5.565 17.177 -7.790
14 HB3 SER 3 1HB SER 3 -6.927 17.644 -8.811
15 HG SER 3 HG SER 3 -8.050 16.192 -7.822
16 H SER 4 H SER 4 -5.629 13.680 -9.477
17 HA SER 4 HA SER 4 -4.165 12.009 -8.999
18 HB2 SER 4 2HB SER 4 -2.654 13.122 -10.651
19 HB3 SER 4 1HB SER 4 -1.981 14.089 -9.339
20 HG SER 4 HG SER 4 -0.823 12.452 -8.716
21 H GLY 5 H GLY 5 -4.428 11.372 -6.944
22 HA2 GLY 5 2HA GLY 5 -2.648 12.265 -4.916
23 HA3 GLY 5 1HA GLY 5 -4.253 12.931 -4.662
24 H LEU 6 H LEU 6 -2.299 10.552 -3.695
25 HA LEU 6 HA LEU 6 -4.009 8.298 -3.648
26 HB2 LEU 6 2HB LEU 6 -2.490 7.573 -1.730
27 HB3 LEU 6 1HB LEU 6 -1.760 7.805 -3.301
28 HG LEU 6 HG LEU 6 -1.000 10.092 -2.480
29 HD11 LEU 6 1HD1 LEU 6 -1.738 8.911 0.193
30 HD12 LEU 6 2HD1 LEU 6 -2.509 10.302 -0.570
31 HD13 LEU 6 3HD1 LEU 6 -0.820 10.394 -0.075
32 HD21 LEU 6 3HD2 LEU 6 0.910 9.170 -1.310
33 HD22 LEU 6 1HD2 LEU 6 0.480 8.164 -2.691
34 HD23 LEU 6 2HD2 LEU 6 0.044 7.653 -1.061
35 HA PRO 7 HA PRO 7 -6.930 9.242 -0.486
36 HB2 PRO 7 2HB PRO 7 -6.446 6.562 0.687
37 HB3 PRO 7 1HB PRO 7 -7.937 7.261 0.049
38 HG2 PRO 7 2HG PRO 7 -6.617 5.370 -1.294
39 HG3 PRO 7 1HG PRO 7 -7.426 6.705 -2.136
40 HD2 PRO 7 2HD PRO 7 -4.522 6.327 -1.525
41 HD3 PRO 7 1HD PRO 7 -5.289 6.945 -2.999
42 HA PRO 8 HA PRO 8 -4.735 10.695 3.072
43 HB2 PRO 8 2HB PRO 8 -7.267 10.100 4.513
44 HB3 PRO 8 1HB PRO 8 -6.350 11.607 4.426
45 HG2 PRO 8 2HG PRO 8 -8.620 11.312 3.067
46 HG3 PRO 8 1HG PRO 8 -7.246 12.189 2.371
47 HD2 PRO 8 2HD PRO 8 -8.232 9.435 1.792
48 HD3 PRO 8 1HD PRO 8 -7.546 10.643 0.689
49 H GLY 9 H GLY 9 -3.267 9.474 4.054
50 HA2 GLY 9 2HA GLY 9 -2.677 8.000 5.840
51 HA3 GLY 9 1HA GLY 9 -4.177 7.127 5.571
52 H TRP 10 H TRP 10 -2.785 7.783 2.599
53 HA TRP 10 HA TRP 10 -1.638 5.083 2.524
54 HB2 TRP 10 2HB TRP 10 -2.777 6.869 0.384
55 HB3 TRP 10 1HB TRP 10 -1.751 5.496 -0.019
56 HD1 TRP 10 HD TRP 10 -4.604 5.629 2.609
57 HE1 TRP 10 1HE TRP 10 -6.281 3.763 2.039
58 HE3 TRP 10 3HE TRP 10 -2.489 3.939 -1.722
59 HZ2 TRP 10 2HZ TRP 10 -6.669 1.841 0.003
60 HZ3 TRP 10 3HZ TRP 10 -3.569 2.081 -2.921
61 HH2 TRP 10 HH TRP 10 -5.620 1.057 -2.074
62 H GLU 11 H GLU 11 0.422 4.694 2.023
63 HA GLU 11 HA GLU 11 2.122 6.971 1.216
64 HB2 GLU 11 2HB GLU 11 2.882 4.511 2.797
65 HB3 GLU 11 1HB GLU 11 4.007 5.740 2.252
66 HG2 GLU 11 2HG GLU 11 1.724 6.231 4.135
67 HG3 GLU 11 1HG GLU 11 3.378 5.898 4.635
68 H GLU 12 H GLU 12 3.470 6.687 -0.520
69 HA GLU 12 HA GLU 12 3.232 4.112 -1.946
70 HB2 GLU 12 2HB GLU 12 2.288 6.020 -3.180
71 HB3 GLU 12 1HB GLU 12 3.817 6.877 -3.040
72 HG2 GLU 12 2HG GLU 12 4.878 5.003 -4.325
73 HG3 GLU 12 1HG GLU 12 3.254 4.379 -4.611
74 H LYS 13 H LYS 13 4.997 2.930 -1.443
75 HA LYS 13 HA LYS 13 7.599 4.084 -2.025
76 HB2 LYS 13 2HB LYS 13 8.626 3.495 0.050
77 HB3 LYS 13 1HB LYS 13 7.212 4.468 0.420
78 HG2 LYS 13 2HG LYS 13 5.971 2.502 1.071
79 HG3 LYS 13 1HG LYS 13 7.314 1.461 0.582
80 HD2 LYS 13 2HD LYS 13 8.729 2.691 2.266
81 HD3 LYS 13 1HD LYS 13 7.244 3.455 2.839
82 HE2 LYS 13 2HE LYS 13 6.313 1.315 3.420
83 HE3 LYS 13 1HE LYS 13 7.697 0.481 2.714
84 HZ1 LYS 13 3HZ LYS 13 7.963 0.572 5.078
85 HZ2 LYS 13 1HZ LYS 13 7.721 2.248 5.098
86 HZ3 LYS 13 2HZ LYS 13 9.109 1.600 4.376
87 H GLN 14 H GLN 14 9.312 2.360 -1.936
88 HA GLN 14 HA GLN 14 8.249 0.088 -3.402
89 HB2 GLN 14 2HB GLN 14 10.452 -0.238 -4.227
90 HB3 GLN 14 1HB GLN 14 10.166 1.495 -4.235
91 HG2 GLN 14 2HG GLN 14 11.750 -0.019 -2.162
92 HG3 GLN 14 1HG GLN 14 12.422 0.927 -3.488
93 HE21 GLN 14 1HE2 GLN 14 10.837 1.036 -0.393
94 HE22 GLN 14 2HE2 GLN 14 11.113 2.725 -0.089
95 H ASP 15 H ASP 15 9.224 -2.110 -3.030
96 HA ASP 15 HA ASP 15 9.254 -2.665 -0.166
97 HB2 ASP 15 2HB ASP 15 8.902 -4.950 -0.717
98 HB3 ASP 15 1HB ASP 15 7.894 -4.034 -1.838
99 H ASP 16 H ASP 16 10.866 -5.008 -0.274
100 HA ASP 16 HA ASP 16 13.465 -3.935 0.026
101 HB2 ASP 16 2HB ASP 16 12.688 -5.929 1.248
102 HB3 ASP 16 1HB ASP 16 12.599 -6.826 -0.265
103 H ARG 17 H ARG 17 11.731 -5.134 -2.685
104 HA ARG 17 HA ARG 17 14.123 -5.582 -4.292
105 HB2 ARG 17 2HB ARG 17 11.197 -5.783 -5.015
106 HB3 ARG 17 1HB ARG 17 12.540 -6.308 -6.013
107 HG2 ARG 17 2HG ARG 17 13.095 -8.039 -4.470
108 HG3 ARG 17 1HG ARG 17 11.925 -7.427 -3.300
109 HD2 ARG 17 2HD ARG 17 10.152 -7.830 -5.047
110 HD3 ARG 17 1HD ARG 17 11.381 -8.705 -5.966
111 HE ARG 17 HE ARG 17 10.647 -9.467 -3.222
112 HH11 ARG 17 1HH1 ARG 17 11.191 -10.275 -6.583
113 HH12 ARG 17 2HH1 ARG 17 11.009 -11.984 -6.334
114 HH21 ARG 17 1HH2 ARG 17 10.386 -11.706 -2.886
115 HH22 ARG 17 2HH2 ARG 17 10.533 -12.803 -4.226
116 H GLY 18 H GLY 18 11.158 -3.623 -4.468
117 HA2 GLY 18 2HA GLY 18 11.901 -1.197 -5.157
118 HA3 GLY 18 1HA GLY 18 12.371 -2.050 -6.618
119 H ARG 19 H ARG 19 9.693 -3.525 -5.240
120 HA ARG 19 HA ARG 19 7.894 -2.580 -7.253
121 HB2 ARG 19 2HB ARG 19 7.497 -4.258 -4.770
122 HB3 ARG 19 1HB ARG 19 6.170 -3.819 -5.834
123 HG2 ARG 19 2HG ARG 19 7.170 -5.017 -7.656
124 HG3 ARG 19 1HG ARG 19 8.609 -5.357 -6.689
125 HD2 ARG 19 2HD ARG 19 7.061 -7.286 -6.800
126 HD3 ARG 19 1HD ARG 19 7.315 -6.703 -5.157
127 HE ARG 19 HE ARG 19 5.032 -5.451 -6.197
128 HH11 ARG 19 1HH1 ARG 19 6.038 -8.698 -5.346
129 HH12 ARG 19 2HH1 ARG 19 4.461 -9.182 -4.798
130 HH21 ARG 19 1HH2 ARG 19 2.944 -6.099 -5.482
131 HH22 ARG 19 2HH2 ARG 19 2.699 -7.711 -4.880
132 H SER 20 H SER 20 7.221 -0.498 -7.167
133 HA SER 20 HA SER 20 6.864 0.948 -4.739
134 HB2 SER 20 2HB SER 20 5.728 1.541 -7.485
135 HB3 SER 20 1HB SER 20 5.887 2.684 -6.149
136 HG SER 20 HG SER 20 7.774 3.090 -6.961
137 H TYR 21 H TYR 21 5.370 0.363 -3.323
138 HA TYR 21 HA TYR 21 2.715 -0.419 -4.312
139 HB2 TYR 21 2HB TYR 21 2.511 -1.878 -2.332
140 HB3 TYR 21 1HB TYR 21 3.863 -2.344 -3.358
141 HD1 TYR 21 1HD TYR 21 3.147 -0.235 -0.356
142 HD2 TYR 21 2HD TYR 21 5.905 -2.807 -2.328
143 HE1 TYR 21 1HE TYR 21 4.647 -0.121 1.585
144 HE2 TYR 21 2HE TYR 21 7.405 -2.702 -0.385
145 HH TYR 21 HH TYR 21 7.823 -1.046 1.498
146 H TYR 22 H TYR 22 1.171 -0.344 -2.202
147 HA TYR 22 HA TYR 22 1.509 2.347 -1.083
148 HB2 TYR 22 2HB TYR 22 -1.052 1.138 -2.147
149 HB3 TYR 22 1HB TYR 22 -0.910 2.703 -1.350
150 HD1 TYR 22 2HD TYR 22 -0.053 0.799 -4.388
151 HD2 TYR 22 1HD TYR 22 -0.106 4.618 -2.526
152 HE1 TYR 22 2HE TYR 22 0.398 1.859 -6.559
153 HE2 TYR 22 1HE TYR 22 0.341 5.691 -4.689
154 HH TYR 22 HH TYR 22 0.000 4.096 -7.623
155 H VAL 23 H VAL 23 1.413 2.380 1.057
156 HA VAL 23 HA VAL 23 0.085 0.116 2.380
157 HB VAL 23 HB VAL 23 2.445 0.164 2.947
158 HG11 VAL 23 1HG1 VAL 23 3.437 2.010 4.200
159 HG12 VAL 23 2HG1 VAL 23 1.956 2.947 3.980
160 HG13 VAL 23 3HG1 VAL 23 2.938 2.499 2.580
161 HG21 VAL 23 3HG2 VAL 23 0.914 -0.614 4.638
162 HG22 VAL 23 1HG2 VAL 23 0.663 1.035 5.216
163 HG23 VAL 23 2HG2 VAL 23 2.241 0.265 5.403
164 H ASP 24 H ASP 24 -1.653 0.490 3.527
165 HA ASP 24 HA ASP 24 -2.557 3.242 3.883
166 HB2 ASP 24 2HB ASP 24 -4.061 1.517 2.896
167 HB3 ASP 24 1HB ASP 24 -3.989 0.627 4.413
168 H HIS 25 H HIS 25 -2.453 4.263 5.772
169 HA HIS 25 HA HIS 25 -1.065 3.041 7.947
170 HB2 HIS 25 2HB HIS 25 -2.370 5.741 7.646
171 HB3 HIS 25 1HB HIS 25 -1.573 5.230 9.128
172 HD1 HIS 25 1HD HIS 25 1.070 4.417 8.640
173 HD2 HIS 25 2HD HIS 25 -0.726 7.090 6.006
174 HE1 HIS 25 1HE HIS 25 2.955 5.587 7.457
175 HE2 HIS 25 2HE HIS 25 1.848 7.242 5.917
176 H ASN 26 H ASN 26 -4.426 3.416 7.183
177 HA ASN 26 HA ASN 26 -5.411 3.749 9.826
178 HB2 ASN 26 2HB ASN 26 -6.832 2.641 7.392
179 HB3 ASN 26 1HB ASN 26 -7.608 3.138 8.890
180 HD21 ASN 26 1HD2 ASN 26 -5.987 4.227 6.005
181 HD22 ASN 26 2HD2 ASN 26 -6.440 5.897 6.153
182 H SER 27 H SER 27 -5.319 0.859 7.743
183 HA SER 27 HA SER 27 -5.837 -0.763 10.122
184 HB2 SER 27 2HB SER 27 -6.163 -1.427 7.187
185 HB3 SER 27 1HB SER 27 -6.635 -2.453 8.543
186 HG SER 27 HG SER 27 -8.475 -1.447 8.310
187 H LYS 28 H LYS 28 -3.303 0.429 8.738
188 HA LYS 28 HA LYS 28 -1.143 -0.131 8.351
189 HB2 LYS 28 2HB LYS 28 -1.885 -2.001 10.595
190 HB3 LYS 28 1HB LYS 28 -0.235 -1.831 10.011
191 HG2 LYS 28 2HG LYS 28 -0.257 0.532 10.567
192 HG3 LYS 28 1HG LYS 28 -1.932 0.404 11.107
193 HD2 LYS 28 2HD LYS 28 0.375 -1.124 12.315
194 HD3 LYS 28 1HD LYS 28 -0.262 0.388 12.957
195 HE2 LYS 28 2HE LYS 28 -1.765 -2.215 12.676
196 HE3 LYS 28 1HE LYS 28 -1.195 -1.484 14.179
197 HZ1 LYS 28 3HZ LYS 28 -3.290 -0.439 12.359
198 HZ2 LYS 28 1HZ LYS 28 -2.647 0.448 13.651
199 HZ3 LYS 28 2HZ LYS 28 -3.489 -0.987 13.948
200 H THR 29 H THR 29 -2.581 -1.138 6.363
201 HA THR 29 HA THR 29 -1.421 -3.786 5.915
202 HB THR 29 HB THR 29 -4.199 -2.886 5.118
203 HG1 THR 29 1HG THR 29 -3.910 -3.495 7.363
204 HG21 THR 29 3HG2 THR 29 -3.187 -4.331 3.434
205 HG22 THR 29 1HG2 THR 29 -4.463 -5.190 4.302
206 HG23 THR 29 2HG2 THR 29 -2.768 -5.506 4.677
207 H THR 30 H THR 30 -0.273 -3.911 4.110
208 HA THR 30 HA THR 30 -0.367 -1.606 2.306
209 HB THR 30 HB THR 30 1.730 -1.661 3.411
210 HG1 THR 30 1HG THR 30 1.635 -1.493 0.991
211 HG21 THR 30 3HG2 THR 30 3.220 -3.616 3.393
212 HG22 THR 30 1HG2 THR 30 1.965 -4.558 2.589
213 HG23 THR 30 2HG2 THR 30 1.706 -3.965 4.228
214 H THR 31 H THR 31 -1.447 -2.075 0.528
215 HA THR 31 HA THR 31 -1.040 -4.709 -0.720
216 HB THR 31 HB THR 31 -3.310 -4.613 0.037
217 HG1 THR 31 1HG THR 31 -4.099 -3.986 -2.451
218 HG21 THR 31 3HG2 THR 31 -3.557 -2.237 0.397
219 HG22 THR 31 1HG2 THR 31 -4.850 -2.798 -0.663
220 HG23 THR 31 2HG2 THR 31 -3.472 -1.929 -1.339
221 H TRP 32 H TRP 32 -0.652 -4.753 -2.950
222 HA TRP 32 HA TRP 32 0.158 -2.222 -4.093
223 HB2 TRP 32 2HB TRP 32 1.199 -4.627 -4.449
224 HB3 TRP 32 1HB TRP 32 -0.035 -4.752 -5.697
225 HD1 TRP 32 HD TRP 32 3.432 -4.012 -5.465
226 HE1 TRP 32 1HE TRP 32 4.268 -2.494 -7.374
227 HE3 TRP 32 3HE TRP 32 -1.067 -2.244 -7.144
228 HZ2 TRP 32 2HZ TRP 32 3.165 -0.766 -9.316
229 HZ3 TRP 32 3HZ TRP 32 -1.088 -0.658 -9.018
230 HH2 TRP 32 HH TRP 32 0.986 0.064 -10.084
231 H SER 33 H SER 33 -1.731 -1.065 -4.275
232 HA SER 33 HA SER 33 -3.468 -1.911 -6.477
233 HB2 SER 33 2HB SER 33 -4.469 -0.615 -3.928
234 HB3 SER 33 1HB SER 33 -5.445 -1.127 -5.305
235 HG SER 33 HG SER 33 -4.100 -3.242 -4.636
236 H LYS 34 H LYS 34 -3.706 -0.330 -7.981
237 HA LYS 34 HA LYS 34 -2.451 2.235 -7.457
238 HB2 LYS 34 2HB LYS 34 -2.530 0.738 -9.681
239 HB3 LYS 34 1HB LYS 34 -3.941 1.737 -9.990
240 HG2 LYS 34 2HG LYS 34 -1.228 2.859 -9.343
241 HG3 LYS 34 1HG LYS 34 -1.797 2.555 -10.984
242 HD2 LYS 34 2HD LYS 34 -2.791 4.543 -10.991
243 HD3 LYS 34 1HD LYS 34 -3.814 4.022 -9.648
244 HE2 LYS 34 2HE LYS 34 -2.535 6.127 -9.229
245 HE3 LYS 34 1HE LYS 34 -2.253 4.848 -8.048
246 HZ1 LYS 34 3HZ LYS 34 -0.461 5.294 -10.366
247 HZ2 LYS 34 1HZ LYS 34 -0.159 4.391 -8.969
248 HZ3 LYS 34 2HZ LYS 34 -0.234 6.074 -8.879
249 HA PRO 35 HA PRO 35 -6.475 3.532 -6.028
250 HB2 PRO 35 2HB PRO 35 -5.654 5.773 -4.761
251 HB3 PRO 35 1HB PRO 35 -5.400 4.159 -4.089
252 HG2 PRO 35 2HG PRO 35 -3.482 5.953 -5.504
253 HG3 PRO 35 1HG PRO 35 -3.204 4.879 -4.121
254 HD2 PRO 35 2HD PRO 35 -2.534 4.287 -6.732
255 HD3 PRO 35 1HD PRO 35 -2.805 3.075 -5.467
256 H THR 36 H THR 36 -8.012 4.865 -6.801
257 HA THR 36 HA THR 36 -9.059 6.523 -7.939
258 HB THR 36 HB THR 36 -6.319 7.777 -8.262
259 HG1 THR 36 1HG THR 36 -8.101 7.614 -6.171
260 HG21 THR 36 3HG2 THR 36 -7.893 8.649 -9.898
261 HG22 THR 36 1HG2 THR 36 -7.601 9.858 -8.647
262 HG23 THR 36 2HG2 THR 36 -9.093 8.916 -8.633
263 H MET 37 H MET 37 -9.663 6.914 -10.048
264 HA MET 37 HA MET 37 -9.847 6.587 -12.287
265 HB2 MET 37 2HB MET 37 -6.943 5.846 -12.034
266 HB3 MET 37 1HB MET 37 -7.818 5.618 -13.541
267 HG2 MET 37 2HG MET 37 -7.532 8.240 -12.100
268 HG3 MET 37 1HG MET 37 -6.546 7.714 -13.466
269 HE1 MET 37 3HE MET 37 -7.124 9.838 -14.907
270 HE2 MET 37 1HE MET 37 -8.026 10.466 -13.528
271 HE3 MET 37 2HE MET 37 -8.762 10.450 -15.130
272 H GLN 38 H GLU 38 -9.098 4.502 -13.901
273 HA GLN 38 HA GLU 38 -9.546 2.032 -12.485
274 HB2 GLN 38 2HB GLU 38 -11.581 1.472 -13.834
275 HB3 GLN 38 1HB GLU 38 -11.818 2.725 -12.624
276 HG2 GLN 38 2HG GLU 38 -11.659 4.434 -14.361
277 HG3 GLN 38 1HG GLU 38 -11.424 3.177 -15.575
278 H ASP 39 H ASP 39 -7.885 0.991 -13.336
279 HA ASP 39 HA ASP 39 -7.586 0.975 -16.258
280 HB2 ASP 39 2HB ASP 39 -5.611 0.580 -14.023
281 HB3 ASP 39 1HB ASP 39 -5.280 -0.061 -15.626
282 H1 ALA 40 1HT ALA 40 -11.490 -4.151 5.035
283 H2 ALA 40 2HT ALA 40 -11.599 -3.224 6.455
284 H3 ALA 40 3HT ALA 40 -11.753 -4.908 6.528
285 HA ALA 40 HA ALA 40 -9.489 -5.233 5.918
286 HB1 ALA 40 2HB ALA 40 -9.389 -3.341 4.348
287 HB2 ALA 40 3HB ALA 40 -8.010 -3.378 5.445
288 HB3 ALA 40 1HB ALA 40 -9.320 -2.230 5.715
289 HA PRO 41 HA PRO 41 -9.190 -4.290 10.368
290 HB2 PRO 41 2HB PRO 41 -8.273 -6.984 10.774
291 HB3 PRO 41 1HB PRO 41 -9.818 -6.277 11.247
292 HG2 PRO 41 2HG PRO 41 -9.514 -8.231 9.315
293 HG3 PRO 41 1HG PRO 41 -10.899 -7.132 9.433
294 HD2 PRO 41 2HD PRO 41 -8.509 -6.988 7.638
295 HD3 PRO 41 1HD PRO 41 -10.208 -6.590 7.293
296 H LEU 42 H LEU 42 -6.942 -6.889 9.770
297 HA LEU 42 HA LEU 42 -4.676 -5.020 9.603
298 HB2 LEU 42 2HB LEU 42 -5.091 -7.233 11.610
299 HB3 LEU 42 1HB LEU 42 -3.472 -6.865 11.063
300 HG LEU 42 HG LEU 42 -3.781 -5.757 13.130
301 HD11 LEU 42 1HD1 LEU 42 -2.570 -4.483 11.487
302 HD12 LEU 42 2HD1 LEU 42 -3.506 -3.406 12.524
303 HD13 LEU 42 3HD1 LEU 42 -4.070 -3.769 10.893
304 HD21 LEU 42 3HD2 LEU 42 -6.217 -5.789 13.235
305 HD22 LEU 42 1HD2 LEU 42 -6.293 -4.524 12.005
306 HD23 LEU 42 2HD2 LEU 42 -5.583 -4.180 13.583
307 H SEP 43 H SEP 43 -5.915 -6.357 7.535
308 HA SEP 43 HA SEP 43 -5.433 -8.971 6.974
309 HB2 SEP 43 1HB SEP 43 -5.730 -8.326 4.608
310 HB3 SEP 43 2HB SEP 43 -5.506 -6.632 5.066
311 HA PRO 44 HA PRO 44 -1.069 -9.387 6.057
312 HB2 PRO 44 2HB PRO 44 -1.764 -11.929 4.814
313 HB3 PRO 44 1HB PRO 44 -0.860 -11.632 6.300
314 HG2 PRO 44 2HG PRO 44 -3.348 -12.731 6.277
315 HG3 PRO 44 1HG PRO 44 -2.738 -11.745 7.618
316 HD2 PRO 44 2HD PRO 44 -4.569 -10.977 5.373
317 HD3 PRO 44 1HD PRO 44 -4.662 -10.556 7.097
318 H MET 45 H MET 45 0.277 -9.438 4.169
319 HA MET 45 HA MET 45 -1.043 -9.298 1.585
320 HB2 MET 45 2HB MET 45 0.245 -6.914 2.911
321 HB3 MET 45 1HB MET 45 0.030 -7.020 1.171
322 HG2 MET 45 2HG MET 45 -2.222 -7.225 3.152
323 HG3 MET 45 1HG MET 45 -1.739 -5.721 2.356
324 HE1 MET 45 3HE MET 45 -4.670 -7.204 2.322
325 HE2 MET 45 1HE MET 45 -5.150 -6.916 0.650
326 HE3 MET 45 2HE MET 45 -4.390 -5.627 1.584
327 H SEP 46 H SEP 46 0.939 -8.192 0.061
328 HA SEP 46 HA SEP 46 2.967 -10.271 0.235
329 HB2 SEP 46 1HB SEP 46 3.657 -9.539 -2.019
330 HB3 SEP 46 2HB SEP 46 2.464 -8.241 -1.951
331 HA PRO 47 HA PRO 47 5.656 -6.033 -0.199
332 HB2 PRO 47 2HB PRO 47 3.781 -4.659 1.693
333 HB3 PRO 47 1HB PRO 47 4.889 -3.956 0.504
334 HG2 PRO 47 2HG PRO 47 2.321 -4.185 -0.071
335 HG3 PRO 47 1HG PRO 47 3.547 -4.563 -1.300
336 HD2 PRO 47 2HD PRO 47 1.806 -6.394 0.279
337 HD3 PRO 47 1HD PRO 47 2.473 -6.600 -1.352
338 HA PRO 48 HA PRO 48 7.364 -7.733 3.549
339 HB2 PRO 48 2HB PRO 48 9.932 -6.831 2.712
340 HB3 PRO 48 1HB PRO 48 9.263 -8.452 2.556
341 HG2 PRO 48 2HG PRO 48 9.835 -6.696 0.460
342 HG3 PRO 48 1HG PRO 48 8.843 -8.161 0.355
343 HD2 PRO 48 2HD PRO 48 8.031 -5.320 0.531
344 HD3 PRO 48 1HD PRO 48 7.213 -6.686 -0.249
345 H GLY 49 H GLY 49 6.176 -5.164 3.732
346 HA2 GLY 49 2HA GLY 49 7.938 -3.980 5.719
347 HA3 GLY 49 1HA GLY 49 7.534 -2.946 4.353
348 H TYR 50 H TYR 50 6.870 -2.731 7.214
349 HA TYR 50 HA TYR 50 5.170 -1.862 8.442
350 HB2 TYR 50 2HB TYR 50 4.311 -1.301 5.874
351 HB3 TYR 50 1HB TYR 50 2.957 -2.207 6.555
352 HD1 TYR 50 2HD TYR 50 1.922 -1.381 8.718
353 HD2 TYR 50 1HD TYR 50 4.691 0.944 6.469
354 HE1 TYR 50 2HE TYR 50 1.161 0.652 9.880
355 HE2 TYR 50 1HE TYR 50 3.938 2.975 7.628
356 HH TYR 50 HH TYR 50 1.790 3.730 8.809
357 H LYS 51 H LYS 51 3.863 -4.445 6.357
358 HA LYS 51 HA LYS 51 2.692 -5.683 8.755
359 HB2 LYS 51 2HB LYS 51 1.159 -5.239 6.857
360 HB3 LYS 51 1HB LYS 51 2.153 -6.257 5.826
361 HG2 LYS 51 2HG LYS 51 0.096 -7.360 6.643
362 HG3 LYS 51 1HG LYS 51 1.575 -8.209 7.091
363 HD2 LYS 51 2HD LYS 51 -0.039 -8.117 8.943
364 HD3 LYS 51 1HD LYS 51 1.459 -7.275 9.329
365 HE2 LYS 51 2HE LYS 51 -0.413 -5.968 10.095
366 HE3 LYS 51 1HE LYS 51 0.371 -5.136 8.753
367 HZ1 LYS 51 3HZ LYS 51 -1.951 -5.014 8.418
368 HZ2 LYS 51 1HZ LYS 51 -2.164 -6.674 8.683
369 HZ3 LYS 51 2HZ LYS 51 -1.368 -6.132 7.292
370 H LEU 52 H LEU 52 4.404 -6.742 9.635
371 HA LEU 52 HA LEU 52 5.888 -8.629 7.936
372 HB2 LEU 52 2HB LEU 52 6.635 -7.452 10.618
373 HB3 LEU 52 1HB LEU 52 7.615 -8.570 9.689
374 HG LEU 52 HG LEU 52 6.865 -5.778 8.805
375 HD11 LEU 52 1HD1 LEU 52 8.392 -5.770 10.718
376 HD12 LEU 52 2HD1 LEU 52 9.199 -5.223 9.251
377 HD13 LEU 52 3HD1 LEU 52 9.480 -6.854 9.855
378 HD21 LEU 52 3HD2 LEU 52 8.792 -7.763 7.608
379 HD22 LEU 52 1HD2 LEU 52 8.482 -6.126 7.027
380 HD23 LEU 52 2HD2 LEU 52 7.208 -7.346 6.950
381 H VAL 53 H VAL 53 6.498 -10.673 8.938
382 HA VAL 53 HA VAL 53 4.598 -11.571 11.009
383 HB VAL 53 HB VAL 53 5.736 -13.335 8.832
384 HG11 VAL 53 1HG1 VAL 53 5.077 -14.504 10.857
385 HG12 VAL 53 2HG1 VAL 53 3.978 -14.891 9.536
386 HG13 VAL 53 3HG1 VAL 53 3.483 -13.756 10.791
387 HG21 VAL 53 3HG2 VAL 53 3.549 -13.235 7.738
388 HG22 VAL 53 1HG2 VAL 53 4.298 -11.638 7.803
389 HG23 VAL 53 2HG2 VAL 53 3.001 -12.052 8.928
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 4.051 16.943 -11.447
2 H2 GLY 1 2HT GLY 1 2.915 16.042 -12.331
3 H3 GLY 1 3HT GLY 1 4.557 15.963 -12.738
4 HA2 GLY 1 1HA GLY 1 3.876 13.982 -11.539
5 HA3 GLY 1 2HA GLY 1 5.078 14.904 -10.642
6 H SER 2 H SER 2 1.748 13.914 -10.825
7 HA SER 2 HA SER 2 1.368 14.707 -8.041
8 HB2 SER 2 2HB SER 2 -0.882 15.685 -8.634
9 HB3 SER 2 1HB SER 2 0.499 16.625 -9.206
10 HG SER 2 HG SER 2 -1.074 14.804 -10.725
11 H SER 3 H SER 3 1.326 12.537 -7.484
12 HA SER 3 HA SER 3 -0.564 10.772 -8.784
13 HB2 SER 3 2HB SER 3 0.386 9.184 -6.924
14 HB3 SER 3 1HB SER 3 1.407 9.637 -8.290
15 HG SER 3 HG SER 3 2.214 9.837 -5.973
16 H SER 4 H SER 4 -2.588 11.455 -8.272
17 HA SER 4 HA SER 4 -3.379 11.068 -5.477
18 HB2 SER 4 2HB SER 4 -5.079 12.975 -5.942
19 HB3 SER 4 1HB SER 4 -3.409 13.412 -5.579
20 HG SER 4 HG SER 4 -3.047 13.824 -7.718
21 H GLY 5 H GLY 5 -5.430 10.167 -5.186
22 HA2 GLY 5 2HA GLY 5 -7.562 9.722 -6.594
23 HA3 GLY 5 1HA GLY 5 -6.434 8.837 -7.611
24 H LEU 6 H LEU 6 -5.041 8.309 -4.843
25 HA LEU 6 HA LEU 6 -6.004 5.690 -4.515
26 HB2 LEU 6 2HB LEU 6 -4.650 5.719 -2.393
27 HB3 LEU 6 1HB LEU 6 -3.777 6.061 -3.868
28 HG LEU 6 HG LEU 6 -4.021 8.537 -3.243
29 HD11 LEU 6 1HD1 LEU 6 -5.741 8.261 -1.523
30 HD12 LEU 6 2HD1 LEU 6 -4.286 9.023 -0.875
31 HD13 LEU 6 3HD1 LEU 6 -4.611 7.319 -0.551
32 HD21 LEU 6 3HD2 LEU 6 -2.353 6.699 -1.531
33 HD22 LEU 6 1HD2 LEU 6 -2.067 8.422 -1.769
34 HD23 LEU 6 2HD2 LEU 6 -1.923 7.310 -3.129
35 HA PRO 7 HA PRO 7 -9.515 6.120 -1.900
36 HB2 PRO 7 2HB PRO 7 -8.624 3.689 -0.472
37 HB3 PRO 7 1HB PRO 7 -10.091 3.956 -1.420
38 HG2 PRO 7 2HG PRO 7 -8.124 2.405 -2.355
39 HG3 PRO 7 1HG PRO 7 -9.033 3.481 -3.433
40 HD2 PRO 7 2HD PRO 7 -6.329 3.882 -2.200
41 HD3 PRO 7 1HD PRO 7 -6.852 4.162 -3.873
42 HA PRO 8 HA PRO 8 -8.226 8.219 1.790
43 HB2 PRO 8 2HB PRO 8 -10.451 7.580 3.352
44 HB3 PRO 8 1HB PRO 8 -10.318 8.963 2.263
45 HG2 PRO 8 2HG PRO 8 -11.609 6.312 1.815
46 HG3 PRO 8 1HG PRO 8 -12.119 7.920 1.266
47 HD2 PRO 8 2HD PRO 8 -10.957 6.181 -0.405
48 HD3 PRO 8 1HD PRO 8 -10.623 7.922 -0.510
49 H GLY 9 H GLY 9 -6.807 7.557 3.245
50 HA2 GLY 9 2HA GLY 9 -6.226 6.316 5.212
51 HA3 GLY 9 1HA GLY 9 -7.257 5.013 4.642
52 H TRP 10 H TRP 10 -6.036 5.523 1.873
53 HA TRP 10 HA TRP 10 -3.772 3.725 2.214
54 HB2 TRP 10 2HB TRP 10 -5.071 4.859 -0.279
55 HB3 TRP 10 1HB TRP 10 -3.719 3.736 -0.291
56 HD1 TRP 10 HD TRP 10 -6.921 3.454 1.872
57 HE1 TRP 10 1HE TRP 10 -8.091 1.242 1.284
58 HE3 TRP 10 3HE TRP 10 -3.886 1.902 -1.931
59 HZ2 TRP 10 2HZ TRP 10 -7.781 -0.884 -0.552
60 HZ3 TRP 10 3HZ TRP 10 -4.386 -0.222 -3.059
61 HH2 TRP 10 HH TRP 10 -6.295 -1.591 -2.381
62 H GLU 11 H GLU 11 -1.660 4.226 1.718
63 HA GLU 11 HA GLU 11 -1.077 7.022 1.001
64 HB2 GLU 11 2HB GLU 11 -0.734 6.485 3.470
65 HB3 GLU 11 1HB GLU 11 0.578 5.430 2.961
66 HG2 GLU 11 2HG GLU 11 1.402 7.602 3.677
67 HG3 GLU 11 1HG GLU 11 1.732 7.329 1.964
68 H GLU 12 H GLU 12 0.623 7.326 -0.403
69 HA GLU 12 HA GLU 12 1.295 4.977 -1.939
70 HB2 GLU 12 2HB GLU 12 0.640 7.040 -3.087
71 HB3 GLU 12 1HB GLU 12 2.025 7.876 -2.395
72 HG2 GLU 12 2HG GLU 12 3.546 6.496 -3.628
73 HG3 GLU 12 1HG GLU 12 2.227 5.487 -4.219
74 H LYS 13 H LYS 13 2.953 3.766 -1.515
75 HA LYS 13 HA LYS 13 5.504 4.987 -0.716
76 HB2 LYS 13 2HB LYS 13 4.117 2.612 0.532
77 HB3 LYS 13 1HB LYS 13 5.852 2.853 0.670
78 HG2 LYS 13 2HG LYS 13 3.783 4.835 1.591
79 HG3 LYS 13 1HG LYS 13 4.560 3.637 2.630
80 HD2 LYS 13 2HD LYS 13 6.764 4.609 2.013
81 HD3 LYS 13 1HD LYS 13 5.907 5.870 1.121
82 HE2 LYS 13 2HE LYS 13 4.804 6.594 3.165
83 HE3 LYS 13 1HE LYS 13 5.607 5.313 4.067
84 HZ1 LYS 13 3HZ LYS 13 6.747 7.405 4.380
85 HZ2 LYS 13 1HZ LYS 13 6.933 7.594 2.702
86 HZ3 LYS 13 2HZ LYS 13 7.744 6.342 3.502
87 H GLN 14 H GLN 14 7.036 2.720 -0.678
88 HA GLN 14 HA GLN 14 6.598 1.447 -3.277
89 HB2 GLN 14 2HB GLN 14 9.206 1.645 -3.515
90 HB3 GLN 14 1HB GLN 14 8.163 2.975 -4.003
91 HG2 GLN 14 2HG GLN 14 10.035 3.846 -2.806
92 HG3 GLN 14 1HG GLN 14 8.587 4.058 -1.831
93 HE21 GLN 14 1HE2 GLN 14 10.386 1.056 -2.203
94 HE22 GLN 14 2HE2 GLN 14 10.883 0.956 -0.553
95 H ASP 15 H ASP 15 7.606 -0.593 -3.536
96 HA ASP 15 HA ASP 15 8.202 -1.956 -1.009
97 HB2 ASP 15 2HB ASP 15 7.657 -3.958 -2.088
98 HB3 ASP 15 1HB ASP 15 6.557 -2.793 -2.812
99 H ASP 16 H ASP 16 9.837 -4.018 -1.989
100 HA ASP 16 HA ASP 16 12.382 -2.728 -2.028
101 HB2 ASP 16 2HB ASP 16 11.611 -5.625 -2.391
102 HB3 ASP 16 1HB ASP 16 13.272 -5.055 -2.300
103 H ARG 17 H ARG 17 10.284 -4.118 -4.487
104 HA ARG 17 HA ARG 17 12.395 -4.265 -6.461
105 HB2 ARG 17 2HB ARG 17 9.411 -4.448 -6.897
106 HB3 ARG 17 1HB ARG 17 10.679 -5.015 -7.980
107 HG2 ARG 17 2HG ARG 17 10.011 -6.112 -5.258
108 HG3 ARG 17 1HG ARG 17 9.661 -6.867 -6.808
109 HD2 ARG 17 2HD ARG 17 12.110 -6.960 -7.243
110 HD3 ARG 17 1HD ARG 17 12.377 -6.333 -5.616
111 HE ARG 17 HE ARG 17 10.757 -8.563 -5.345
112 HH11 ARG 17 1HH1 ARG 17 14.020 -7.843 -6.399
113 HH12 ARG 17 2HH1 ARG 17 14.600 -9.450 -6.084
114 HH21 ARG 17 1HH2 ARG 17 11.533 -10.647 -4.894
115 HH22 ARG 17 2HH2 ARG 17 13.193 -11.043 -5.241
116 H GLY 18 H GLY 18 10.384 -1.817 -5.278
117 HA2 GLY 18 2HA GLY 18 10.682 0.456 -5.866
118 HA3 GLY 18 1HA GLY 18 11.293 -0.053 -7.432
119 H ARG 19 H ARG 19 8.390 -1.430 -6.134
120 HA ARG 19 HA ARG 19 6.829 -0.070 -8.207
121 HB2 ARG 19 2HB ARG 19 6.394 -2.508 -6.521
122 HB3 ARG 19 1HB ARG 19 5.029 -1.706 -7.279
123 HG2 ARG 19 2HG ARG 19 5.744 -3.542 -8.630
124 HG3 ARG 19 1HG ARG 19 6.081 -2.027 -9.472
125 HD2 ARG 19 2HD ARG 19 8.427 -2.169 -8.717
126 HD3 ARG 19 1HD ARG 19 8.070 -3.718 -7.953
127 HE ARG 19 HE ARG 19 7.492 -4.500 -10.264
128 HH11 ARG 19 1HH1 ARG 19 9.716 -1.858 -9.737
129 HH12 ARG 19 2HH1 ARG 19 10.550 -2.079 -11.241
130 HH21 ARG 19 1HH2 ARG 19 8.587 -4.824 -12.236
131 HH22 ARG 19 2HH2 ARG 19 9.922 -3.788 -12.657
132 H SER 20 H SER 20 5.202 1.333 -7.714
133 HA SER 20 HA SER 20 5.130 2.350 -5.020
134 HB2 SER 20 2HB SER 20 3.329 3.197 -7.290
135 HB3 SER 20 1HB SER 20 3.868 4.146 -5.901
136 HG SER 20 HG SER 20 5.230 4.841 -7.397
137 H TYR 21 H TYR 21 4.029 1.184 -3.572
138 HA TYR 21 HA TYR 21 1.356 0.261 -4.361
139 HB2 TYR 21 2HB TYR 21 1.462 -1.390 -2.518
140 HB3 TYR 21 1HB TYR 21 2.661 -1.670 -3.772
141 HD1 TYR 21 1HD TYR 21 3.328 0.989 -1.444
142 HD2 TYR 21 2HD TYR 21 3.817 -3.184 -2.097
143 HE1 TYR 21 1HE TYR 21 5.096 0.940 0.253
144 HE2 TYR 21 2HE TYR 21 5.584 -3.245 -0.386
145 HH TYR 21 HH TYR 21 6.175 -0.618 1.730
146 H TYR 22 H TYR 22 -0.037 0.022 -2.162
147 HA TYR 22 HA TYR 22 0.194 2.672 -0.927
148 HB2 TYR 22 2HB TYR 22 -2.377 1.431 -1.917
149 HB3 TYR 22 1HB TYR 22 -2.196 3.026 -1.192
150 HD1 TYR 22 2HD TYR 22 -1.684 1.015 -4.225
151 HD2 TYR 22 1HD TYR 22 -1.227 4.861 -2.465
152 HE1 TYR 22 2HE TYR 22 -1.320 1.993 -6.452
153 HE2 TYR 22 1HE TYR 22 -0.873 5.844 -4.690
154 HH TYR 22 HH TYR 22 -1.523 4.156 -7.573
155 H VAL 23 H VAL 23 0.046 2.686 1.178
156 HA VAL 23 HA VAL 23 -0.579 0.168 2.520
157 HB VAL 23 HB VAL 23 1.584 0.991 3.061
158 HG11 VAL 23 1HG1 VAL 23 1.231 3.327 2.417
159 HG12 VAL 23 2HG1 VAL 23 1.997 3.193 4.000
160 HG13 VAL 23 3HG1 VAL 23 0.280 3.581 3.878
161 HG21 VAL 23 3HG2 VAL 23 0.303 0.033 4.931
162 HG22 VAL 23 1HG2 VAL 23 -0.267 1.645 5.360
163 HG23 VAL 23 2HG2 VAL 23 1.449 1.253 5.486
164 H ASP 24 H ASP 24 -2.227 -0.097 3.898
165 HA ASP 24 HA ASP 24 -4.037 2.145 4.337
166 HB2 ASP 24 2HB ASP 24 -5.189 0.181 3.678
167 HB3 ASP 24 1HB ASP 24 -4.262 -0.829 4.788
168 H HIS 25 H HIS 25 -4.201 3.196 6.202
169 HA HIS 25 HA HIS 25 -2.281 2.587 8.275
170 HB2 HIS 25 2HB HIS 25 -4.244 4.856 7.956
171 HB3 HIS 25 1HB HIS 25 -3.124 4.713 9.305
172 HD1 HIS 25 1HD HIS 25 -0.485 4.637 8.516
173 HD2 HIS 25 2HD HIS 25 -3.253 6.185 5.825
174 HE1 HIS 25 1HE HIS 25 0.866 5.936 6.832
175 HE2 HIS 25 2HE HIS 25 -0.860 7.045 5.354
176 H ASN 26 H ASN 26 -5.409 1.592 7.672
177 HA ASN 26 HA ASN 26 -6.358 1.714 10.409
178 HB2 ASN 26 2HB ASN 26 -7.554 0.423 7.947
179 HB3 ASN 26 1HB ASN 26 -8.334 0.484 9.525
180 HD21 ASN 26 1HD2 ASN 26 -7.448 2.260 6.686
181 HD22 ASN 26 2HD2 ASN 26 -8.347 3.696 7.070
182 H SER 27 H SER 27 -5.377 -0.819 8.113
183 HA SER 27 HA SER 27 -5.592 -2.862 10.152
184 HB2 SER 27 2HB SER 27 -4.719 -4.336 8.297
185 HB3 SER 27 1HB SER 27 -6.222 -3.492 7.918
186 HG SER 27 HG SER 27 -5.126 -2.088 6.627
187 H LYS 28 H LYS 28 -3.361 -0.548 9.352
188 HA LYS 28 HA LYS 28 -1.179 -0.141 9.848
189 HB2 LYS 28 2HB LYS 28 -1.344 -2.640 11.556
190 HB3 LYS 28 1HB LYS 28 -0.093 -1.407 11.635
191 HG2 LYS 28 2HG LYS 28 -3.001 -1.051 12.325
192 HG3 LYS 28 1HG LYS 28 -1.658 -1.164 13.461
193 HD2 LYS 28 2HD LYS 28 -2.014 0.997 11.392
194 HD3 LYS 28 1HD LYS 28 -2.408 1.153 13.105
195 HE2 LYS 28 2HE LYS 28 -0.038 0.703 13.649
196 HE3 LYS 28 1HE LYS 28 0.328 0.657 11.925
197 HZ1 LYS 28 3HZ LYS 28 -0.339 2.942 11.723
198 HZ2 LYS 28 1HZ LYS 28 0.811 2.826 12.964
199 HZ3 LYS 28 2HZ LYS 28 -0.828 2.997 13.340
200 H THR 29 H THR 29 -2.004 -1.791 7.604
201 HA THR 29 HA THR 29 0.523 -3.189 7.127
202 HB THR 29 HB THR 29 -1.374 -4.645 5.687
203 HG1 THR 29 1HG THR 29 -3.060 -3.872 7.016
204 HG21 THR 29 3HG2 THR 29 -0.020 -5.274 8.300
205 HG22 THR 29 1HG2 THR 29 0.633 -5.562 6.687
206 HG23 THR 29 2HG2 THR 29 -0.781 -6.464 7.243
207 H THR 30 H THR 30 1.192 -3.234 4.964
208 HA THR 30 HA THR 30 0.002 -1.173 3.304
209 HB THR 30 HB THR 30 2.499 -2.842 2.959
210 HG1 THR 30 1HG THR 30 2.037 -0.741 4.424
211 HG21 THR 30 3HG2 THR 30 3.047 -1.339 1.106
212 HG22 THR 30 1HG2 THR 30 1.482 -0.550 1.281
213 HG23 THR 30 2HG2 THR 30 1.565 -2.238 0.773
214 H THR 31 H THR 31 -0.941 -1.566 1.308
215 HA THR 31 HA THR 31 -1.559 -4.390 0.734
216 HB THR 31 HB THR 31 -3.213 -1.980 -0.029
217 HG1 THR 31 1HG THR 31 -4.133 -3.654 1.980
218 HG21 THR 31 3HG2 THR 31 -3.854 -4.929 0.095
219 HG22 THR 31 1HG2 THR 31 -3.621 -3.981 -1.374
220 HG23 THR 31 2HG2 THR 31 -4.998 -3.653 -0.321
221 H TRP 32 H TRP 32 -0.476 -5.090 -1.108
222 HA TRP 32 HA TRP 32 0.284 -3.079 -3.055
223 HB2 TRP 32 2HB TRP 32 1.522 -5.355 -2.415
224 HB3 TRP 32 1HB TRP 32 0.495 -5.992 -3.692
225 HD1 TRP 32 HD TRP 32 3.851 -4.968 -3.374
226 HE1 TRP 32 1HE TRP 32 4.837 -3.953 -5.525
227 HE3 TRP 32 3HE TRP 32 -0.501 -3.955 -5.887
228 HZ2 TRP 32 2HZ TRP 32 3.899 -2.867 -7.950
229 HZ3 TRP 32 3HZ TRP 32 -0.361 -2.915 -8.108
230 HH2 TRP 32 HH TRP 32 1.790 -2.384 -9.122
231 H SER 33 H SER 33 -1.675 -2.289 -3.774
232 HA SER 33 HA SER 33 -3.034 -4.043 -5.677
233 HB2 SER 33 2HB SER 33 -4.436 -3.839 -3.586
234 HB3 SER 33 1HB SER 33 -4.520 -2.103 -3.879
235 HG SER 33 HG SER 33 -6.251 -3.675 -4.739
236 H LYS 34 H LYS 34 -3.665 -2.953 -7.589
237 HA LYS 34 HA LYS 34 -2.831 -0.136 -7.747
238 HB2 LYS 34 2HB LYS 34 -1.912 -1.596 -9.483
239 HB3 LYS 34 1HB LYS 34 -3.530 -2.104 -9.939
240 HG2 LYS 34 2HG LYS 34 -3.022 -0.569 -11.575
241 HG3 LYS 34 1HG LYS 34 -3.931 0.410 -10.425
242 HD2 LYS 34 2HD LYS 34 -0.934 0.254 -10.298
243 HD3 LYS 34 1HD LYS 34 -1.736 1.359 -11.410
244 HE2 LYS 34 2HE LYS 34 -2.922 2.372 -9.502
245 HE3 LYS 34 1HE LYS 34 -2.046 1.300 -8.407
246 HZ1 LYS 34 3HZ LYS 34 0.030 2.289 -9.158
247 HZ2 LYS 34 1HZ LYS 34 -1.000 3.485 -8.536
248 HZ3 LYS 34 2HZ LYS 34 -0.804 3.320 -10.216
249 HA PRO 35 HA PRO 35 -7.362 0.531 -7.389
250 HB2 PRO 35 2HB PRO 35 -6.986 3.194 -6.732
251 HB3 PRO 35 1HB PRO 35 -7.152 1.884 -5.561
252 HG2 PRO 35 2HG PRO 35 -4.707 3.259 -6.533
253 HG3 PRO 35 1HG PRO 35 -5.066 2.614 -4.928
254 HD2 PRO 35 2HD PRO 35 -3.430 1.348 -6.691
255 HD3 PRO 35 1HD PRO 35 -4.417 0.485 -5.495
256 H THR 36 H THR 36 -8.689 1.749 -8.768
257 HA THR 36 HA THR 36 -7.693 1.969 -11.378
258 HB THR 36 HB THR 36 -10.274 3.120 -10.309
259 HG1 THR 36 1HG THR 36 -9.488 0.508 -11.122
260 HG21 THR 36 3HG2 THR 36 -11.086 2.766 -12.609
261 HG22 THR 36 1HG2 THR 36 -9.474 2.237 -13.093
262 HG23 THR 36 2HG2 THR 36 -9.735 3.900 -12.567
263 H MET 37 H MET 37 -6.067 3.363 -11.612
264 HA MET 37 HA MET 37 -6.705 6.222 -11.626
265 HB2 MET 37 2HB MET 37 -4.254 4.976 -10.351
266 HB3 MET 37 1HB MET 37 -4.421 6.689 -10.702
267 HG2 MET 37 2HG MET 37 -6.192 6.914 -9.125
268 HG3 MET 37 1HG MET 37 -6.271 5.167 -8.896
269 HE1 MET 37 3HE MET 37 -3.996 8.378 -8.409
270 HE2 MET 37 1HE MET 37 -2.971 7.246 -9.292
271 HE3 MET 37 2HE MET 37 -2.594 7.656 -7.620
272 H GLN 38 H GLU 38 -4.775 7.374 -12.844
273 HA GLN 38 HA GLU 38 -4.075 5.627 -15.105
274 HB2 GLN 38 2HB GLU 38 -4.231 8.642 -14.948
275 HB3 GLN 38 1HB GLU 38 -3.720 7.742 -16.367
276 HG2 GLN 38 2HG GLU 38 -5.900 6.743 -16.583
277 HG3 GLN 38 1HG GLU 38 -6.432 7.489 -15.077
278 H ASP 39 H ASP 39 -2.359 4.787 -13.692
279 HA ASP 39 HA ASP 39 0.140 5.481 -14.585
280 HB2 ASP 39 2HB ASP 39 -0.195 7.550 -13.166
281 HB3 ASP 39 1HB ASP 39 -0.193 6.499 -11.755
282 H1 ALA 40 1HT ALA 40 -12.582 -4.927 14.419
283 H2 ALA 40 2HT ALA 40 -11.408 -5.989 13.819
284 H3 ALA 40 3HT ALA 40 -12.880 -5.800 12.994
285 HA ALA 40 HA ALA 40 -12.332 -3.493 12.525
286 HB1 ALA 40 2HB ALA 40 -9.666 -4.209 13.753
287 HB2 ALA 40 3HB ALA 40 -10.868 -3.132 14.464
288 HB3 ALA 40 1HB ALA 40 -10.069 -2.689 12.954
289 HA PRO 41 HA PRO 41 -11.024 -5.196 8.657
290 HB2 PRO 41 2HB PRO 41 -9.816 -2.974 7.554
291 HB3 PRO 41 1HB PRO 41 -11.557 -3.264 7.559
292 HG2 PRO 41 2HG PRO 41 -9.912 -1.564 9.379
293 HG3 PRO 41 1HG PRO 41 -11.513 -1.244 8.691
294 HD2 PRO 41 2HD PRO 41 -11.198 -2.041 11.238
295 HD3 PRO 41 1HD PRO 41 -12.585 -2.566 10.260
296 H LEU 42 H LEU 42 -9.372 -6.531 8.379
297 HA LEU 42 HA LEU 42 -6.642 -5.464 8.665
298 HB2 LEU 42 2HB LEU 42 -7.571 -7.233 10.429
299 HB3 LEU 42 1HB LEU 42 -7.184 -8.367 9.149
300 HG LEU 42 HG LEU 42 -5.375 -8.231 10.779
301 HD11 LEU 42 1HD1 LEU 42 -4.647 -6.973 8.143
302 HD12 LEU 42 2HD1 LEU 42 -4.738 -8.700 8.497
303 HD13 LEU 42 3HD1 LEU 42 -3.513 -7.701 9.280
304 HD21 LEU 42 3HD2 LEU 42 -4.067 -6.168 11.011
305 HD22 LEU 42 1HD2 LEU 42 -5.723 -5.988 11.592
306 HD23 LEU 42 2HD2 LEU 42 -5.259 -5.322 10.026
307 H SEP 43 H SEP 43 -8.159 -8.482 7.549
308 HA SEP 43 HA SEP 43 -8.260 -9.528 5.556
309 HB2 SEP 43 1HB SEP 43 -8.394 -8.087 3.533
310 HB3 SEP 43 2HB SEP 43 -7.859 -6.712 4.512
311 HA PRO 44 HA PRO 44 -4.216 -10.570 4.166
312 HB2 PRO 44 2HB PRO 44 -4.863 -10.770 1.341
313 HB3 PRO 44 1HB PRO 44 -4.583 -12.061 2.511
314 HG2 PRO 44 2HG PRO 44 -7.023 -11.549 1.423
315 HG3 PRO 44 1HG PRO 44 -6.809 -12.240 3.041
316 HD2 PRO 44 2HD PRO 44 -7.408 -9.417 2.246
317 HD3 PRO 44 1HD PRO 44 -8.081 -10.376 3.582
318 H MET 45 H MET 45 -3.464 -8.314 4.580
319 HA MET 45 HA MET 45 -2.614 -6.957 2.107
320 HB2 MET 45 2HB MET 45 -2.223 -5.976 4.936
321 HB3 MET 45 1HB MET 45 -2.141 -5.044 3.454
322 HG2 MET 45 2HG MET 45 -4.597 -6.191 4.736
323 HG3 MET 45 1HG MET 45 -4.152 -4.493 4.596
324 HE1 MET 45 3HE MET 45 -7.247 -4.657 2.244
325 HE2 MET 45 1HE MET 45 -6.493 -3.868 3.630
326 HE3 MET 45 2HE MET 45 -7.032 -5.540 3.755
327 H SEP 46 H SEP 46 -0.727 -7.867 1.369
328 HA SEP 46 HA SEP 46 1.337 -8.533 3.336
329 HB2 SEP 46 1HB SEP 46 1.428 -10.876 2.536
330 HB3 SEP 46 2HB SEP 46 0.014 -10.556 1.516
331 HA PRO 47 HA PRO 47 3.780 -7.823 -0.425
332 HB2 PRO 47 2HB PRO 47 4.086 -5.164 -0.596
333 HB3 PRO 47 1HB PRO 47 2.660 -5.963 -1.267
334 HG2 PRO 47 2HG PRO 47 2.883 -4.208 1.060
335 HG3 PRO 47 1HG PRO 47 1.439 -4.693 0.161
336 HD2 PRO 47 2HD PRO 47 2.515 -5.831 2.642
337 HD3 PRO 47 1HD PRO 47 0.922 -6.084 1.897
338 HA PRO 48 HA PRO 48 7.399 -7.150 2.122
339 HB2 PRO 48 2HB PRO 48 9.257 -6.259 0.370
340 HB3 PRO 48 1HB PRO 48 8.684 -7.929 0.392
341 HG2 PRO 48 2HG PRO 48 7.941 -5.696 -1.441
342 HG3 PRO 48 1HG PRO 48 8.178 -7.414 -1.801
343 HD2 PRO 48 2HD PRO 48 5.721 -6.216 -1.483
344 HD3 PRO 48 1HD PRO 48 6.028 -7.945 -1.233
345 H GLY 49 H GLY 49 6.888 -5.523 3.539
346 HA2 GLY 49 2HA GLY 49 8.360 -3.346 3.856
347 HA3 GLY 49 1HA GLY 49 7.199 -2.754 2.677
348 H TYR 50 H TYR 50 7.546 -1.667 5.229
349 HA TYR 50 HA TYR 50 6.232 -0.698 6.811
350 HB2 TYR 50 2HB TYR 50 4.401 -1.253 4.967
351 HB3 TYR 50 1HB TYR 50 3.850 -2.386 6.196
352 HD1 TYR 50 1HD TYR 50 4.797 1.188 5.785
353 HD2 TYR 50 2HD TYR 50 2.360 -1.650 7.808
354 HE1 TYR 50 1HE TYR 50 3.587 3.022 6.881
355 HE2 TYR 50 2HE TYR 50 1.147 0.171 8.910
356 HH TYR 50 HH TYR 50 1.614 2.594 9.539
357 H LYS 51 H LYS 51 5.591 -4.163 6.472
358 HA LYS 51 HA LYS 51 5.667 -4.499 9.374
359 HB2 LYS 51 2HB LYS 51 4.987 -6.350 7.087
360 HB3 LYS 51 1HB LYS 51 5.185 -6.933 8.733
361 HG2 LYS 51 2HG LYS 51 3.229 -4.765 8.011
362 HG3 LYS 51 1HG LYS 51 2.824 -6.483 7.979
363 HD2 LYS 51 2HD LYS 51 3.460 -6.655 10.350
364 HD3 LYS 51 1HD LYS 51 3.794 -4.923 10.372
365 HE2 LYS 51 2HE LYS 51 1.512 -4.398 9.959
366 HE3 LYS 51 1HE LYS 51 1.116 -6.081 9.622
367 HZ1 LYS 51 3HZ LYS 51 1.577 -6.621 11.919
368 HZ2 LYS 51 1HZ LYS 51 0.390 -5.415 11.821
369 HZ3 LYS 51 2HZ LYS 51 1.982 -5.013 12.258
370 H LEU 52 H LEU 52 7.044 -6.216 10.268
371 HA LEU 52 HA LEU 52 9.673 -6.156 8.994
372 HB2 LEU 52 2HB LEU 52 8.850 -7.000 11.781
373 HB3 LEU 52 1HB LEU 52 10.499 -6.940 11.185
374 HG LEU 52 HG LEU 52 8.655 -4.571 11.513
375 HD11 LEU 52 1HD1 LEU 52 9.414 -5.431 13.645
376 HD12 LEU 52 2HD1 LEU 52 10.225 -3.907 13.280
377 HD13 LEU 52 3HD1 LEU 52 11.081 -5.436 13.074
378 HD21 LEU 52 3HD2 LEU 52 10.660 -3.231 10.988
379 HD22 LEU 52 1HD2 LEU 52 10.149 -4.242 9.633
380 HD23 LEU 52 2HD2 LEU 52 11.529 -4.722 10.616
381 H VAL 53 H VAL 53 10.806 -7.988 8.444
382 HA VAL 53 HA VAL 53 9.237 -10.479 8.409
383 HB VAL 53 HB VAL 53 11.515 -9.730 6.566
384 HG11 VAL 53 1HG1 VAL 53 10.758 -11.646 5.234
385 HG12 VAL 53 2HG1 VAL 53 9.546 -12.015 6.461
386 HG13 VAL 53 3HG1 VAL 53 11.259 -12.132 6.855
387 HG21 VAL 53 3HG2 VAL 53 9.575 -8.272 6.217
388 HG22 VAL 53 1HG2 VAL 53 8.547 -9.688 6.016
389 HG23 VAL 53 2HG2 VAL 53 9.828 -9.357 4.849
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 2.926 16.757 -12.373
2 H2 GLY 1 2HT GLY 1 1.846 17.973 -12.839
3 H3 GLY 1 3HT GLY 1 1.418 16.345 -13.028
4 HA2 GLY 1 1HA GLY 1 1.459 16.040 -10.620
5 HA3 GLY 1 2HA GLY 1 1.853 17.748 -10.448
6 H SER 2 H SER 2 -0.641 15.444 -10.849
7 HA SER 2 HA SER 2 -2.617 17.551 -10.554
8 HB2 SER 2 2HB SER 2 -4.001 16.283 -12.411
9 HB3 SER 2 1HB SER 2 -2.838 17.528 -12.859
10 HG SER 2 HG SER 2 -2.802 14.820 -13.347
11 H SER 3 H SER 3 -4.684 16.763 -9.867
12 HA SER 3 HA SER 3 -6.092 15.528 -8.618
13 HB2 SER 3 2HB SER 3 -6.403 13.214 -9.119
14 HB3 SER 3 1HB SER 3 -5.937 13.997 -10.624
15 HG SER 3 HG SER 3 -3.697 13.290 -9.915
16 H SER 4 H SER 4 -5.963 13.270 -7.151
17 HA SER 4 HA SER 4 -4.143 14.046 -5.046
18 HB2 SER 4 2HB SER 4 -6.143 11.778 -5.065
19 HB3 SER 4 1HB SER 4 -5.405 12.543 -3.659
20 HG SER 4 HG SER 4 -7.467 13.388 -3.958
21 H GLY 5 H GLY 5 -4.325 11.700 -7.540
22 HA2 GLY 5 2HA GLY 5 -2.785 10.112 -8.201
23 HA3 GLY 5 1HA GLY 5 -1.791 10.557 -6.820
24 H LEU 6 H LEU 6 -2.686 9.838 -4.671
25 HA LEU 6 HA LEU 6 -3.765 7.115 -4.935
26 HB2 LEU 6 2HB LEU 6 -2.596 6.790 -2.666
27 HB3 LEU 6 1HB LEU 6 -1.617 6.807 -4.118
28 HG LEU 6 HG LEU 6 -1.200 9.285 -3.595
29 HD11 LEU 6 1HD1 LEU 6 -2.935 9.591 -1.933
30 HD12 LEU 6 2HD1 LEU 6 -1.347 9.882 -1.223
31 HD13 LEU 6 3HD1 LEU 6 -2.197 8.368 -0.903
32 HD21 LEU 6 3HD2 LEU 6 -0.097 7.114 -1.818
33 HD22 LEU 6 1HD2 LEU 6 0.631 8.705 -2.061
34 HD23 LEU 6 2HD2 LEU 6 0.501 7.577 -3.410
35 HA PRO 7 HA PRO 7 -7.242 8.261 -2.490
36 HB2 PRO 7 2HB PRO 7 -7.002 5.738 -0.985
37 HB3 PRO 7 1HB PRO 7 -8.304 6.298 -2.040
38 HG2 PRO 7 2HG PRO 7 -6.649 4.317 -2.781
39 HG3 PRO 7 1HG PRO 7 -7.279 5.494 -3.951
40 HD2 PRO 7 2HD PRO 7 -4.587 5.375 -2.641
41 HD3 PRO 7 1HD PRO 7 -5.003 5.753 -4.327
42 HA PRO 8 HA PRO 8 -5.783 10.064 1.244
43 HB2 PRO 8 2HB PRO 8 -8.489 9.532 2.348
44 HB3 PRO 8 1HB PRO 8 -7.609 11.057 2.214
45 HG2 PRO 8 2HG PRO 8 -9.645 10.509 0.583
46 HG3 PRO 8 1HG PRO 8 -8.203 11.354 -0.011
47 HD2 PRO 8 2HD PRO 8 -9.004 8.492 -0.354
48 HD3 PRO 8 1HD PRO 8 -8.230 9.588 -1.516
49 H GLY 9 H GLY 9 -4.459 9.022 2.570
50 HA2 GLY 9 2HA GLY 9 -4.138 7.829 4.618
51 HA3 GLY 9 1HA GLY 9 -5.536 6.837 4.229
52 H TRP 10 H TRP 10 -3.745 7.181 1.446
53 HA TRP 10 HA TRP 10 -2.453 4.598 1.911
54 HB2 TRP 10 2HB TRP 10 -3.209 6.050 -0.631
55 HB3 TRP 10 1HB TRP 10 -2.145 4.646 -0.634
56 HD1 TRP 10 HD TRP 10 -5.488 5.267 1.229
57 HE1 TRP 10 1HE TRP 10 -7.055 3.290 0.733
58 HE3 TRP 10 3HE TRP 10 -2.505 2.654 -2.000
59 HZ2 TRP 10 2HZ TRP 10 -7.035 0.939 -0.833
60 HZ3 TRP 10 3HZ TRP 10 -3.361 0.550 -2.961
61 HH2 TRP 10 HH TRP 10 -5.582 -0.282 -2.383
62 H GLU 11 H GLU 11 -0.354 4.409 2.119
63 HA GLU 11 HA GLU 11 1.294 6.815 1.839
64 HB2 GLU 11 2HB GLU 11 1.132 5.621 4.033
65 HB3 GLU 11 1HB GLU 11 1.872 4.222 3.273
66 HG2 GLU 11 2HG GLU 11 3.556 5.347 4.484
67 HG3 GLU 11 1HG GLU 11 3.859 5.640 2.772
68 H GLU 12 H GLU 12 2.757 6.948 0.242
69 HA GLU 12 HA GLU 12 3.276 4.607 -1.407
70 HB2 GLU 12 2HB GLU 12 4.455 6.277 -2.881
71 HB3 GLU 12 1HB GLU 12 2.740 6.568 -2.650
72 HG2 GLU 12 2HG GLU 12 3.241 8.297 -1.014
73 HG3 GLU 12 1HG GLU 12 4.965 7.990 -1.217
74 H LYS 13 H LYS 13 4.932 3.324 -0.968
75 HA LYS 13 HA LYS 13 7.444 4.471 0.013
76 HB2 LYS 13 2HB LYS 13 6.240 2.048 1.351
77 HB3 LYS 13 1HB LYS 13 7.646 2.971 1.857
78 HG2 LYS 13 2HG LYS 13 5.532 4.792 1.830
79 HG3 LYS 13 1HG LYS 13 4.881 3.320 2.551
80 HD2 LYS 13 2HD LYS 13 5.749 4.515 4.365
81 HD3 LYS 13 1HD LYS 13 6.997 3.320 4.000
82 HE2 LYS 13 2HE LYS 13 8.069 5.432 4.368
83 HE3 LYS 13 1HE LYS 13 8.167 5.054 2.646
84 HZ1 LYS 13 3HZ LYS 13 6.203 6.897 3.903
85 HZ2 LYS 13 1HZ LYS 13 6.289 6.528 2.254
86 HZ3 LYS 13 2HZ LYS 13 7.556 7.366 2.996
87 H GLN 14 H GLN 14 9.008 2.374 0.313
88 HA GLN 14 HA GLN 14 8.557 0.625 -2.012
89 HB2 GLN 14 2HB GLN 14 11.036 0.641 -2.382
90 HB3 GLN 14 1HB GLN 14 10.239 2.163 -2.732
91 HG2 GLN 14 2HG GLN 14 12.008 2.977 -1.584
92 HG3 GLN 14 1HG GLN 14 10.956 2.649 -0.210
93 HE21 GLN 14 1HE2 GLN 14 11.458 0.955 1.184
94 HE22 GLN 14 2HE2 GLN 14 12.987 0.153 1.145
95 H ASP 15 H ASP 15 9.417 -1.495 -1.862
96 HA ASP 15 HA ASP 15 9.891 -2.396 0.876
97 HB2 ASP 15 2HB ASP 15 9.185 -4.468 0.241
98 HB3 ASP 15 1HB ASP 15 8.422 -3.566 -1.066
99 H ASP 16 H ASP 16 11.719 -4.289 0.863
100 HA ASP 16 HA ASP 16 14.127 -2.836 0.388
101 HB2 ASP 16 2HB ASP 16 13.563 -5.590 1.434
102 HB3 ASP 16 1HB ASP 16 15.212 -5.056 1.115
103 H ARG 17 H ARG 17 12.331 -5.038 -1.521
104 HA ARG 17 HA ARG 17 14.553 -5.809 -3.205
105 HB2 ARG 17 2HB ARG 17 11.563 -6.102 -3.542
106 HB3 ARG 17 1HB ARG 17 12.747 -6.731 -4.681
107 HG2 ARG 17 2HG ARG 17 13.686 -8.136 -2.894
108 HG3 ARG 17 1HG ARG 17 12.455 -7.521 -1.787
109 HD2 ARG 17 2HD ARG 17 11.740 -9.651 -2.615
110 HD3 ARG 17 1HD ARG 17 10.722 -8.402 -3.329
111 HE ARG 17 HE ARG 17 13.011 -9.242 -4.907
112 HH11 ARG 17 1HH1 ARG 17 9.587 -9.526 -4.283
113 HH12 ARG 17 2HH1 ARG 17 9.237 -10.306 -5.794
114 HH21 ARG 17 1HH2 ARG 17 12.566 -10.208 -6.927
115 HH22 ARG 17 2HH2 ARG 17 10.937 -10.676 -7.312
116 H GLY 18 H GLY 18 12.298 -3.216 -3.022
117 HA2 GLY 18 2HA GLY 18 13.023 -1.156 -4.132
118 HA3 GLY 18 1HA GLY 18 13.444 -2.136 -5.525
119 H ARG 19 H ARG 19 10.613 -3.271 -4.161
120 HA ARG 19 HA ARG 19 9.071 -2.204 -6.361
121 HB2 ARG 19 2HB ARG 19 8.192 -3.921 -4.030
122 HB3 ARG 19 1HB ARG 19 7.230 -3.553 -5.453
123 HG2 ARG 19 2HG ARG 19 9.753 -5.182 -5.344
124 HG3 ARG 19 1HG ARG 19 8.117 -5.763 -5.654
125 HD2 ARG 19 2HD ARG 19 9.927 -4.161 -7.416
126 HD3 ARG 19 1HD ARG 19 9.068 -5.657 -7.772
127 HE ARG 19 HE ARG 19 7.494 -3.238 -7.310
128 HH11 ARG 19 1HH1 ARG 19 8.664 -5.671 -9.545
129 HH12 ARG 19 2HH1 ARG 19 7.566 -5.211 -10.811
130 HH21 ARG 19 1HH2 ARG 19 6.071 -2.631 -8.978
131 HH22 ARG 19 2HH2 ARG 19 6.104 -3.471 -10.497
132 H SER 20 H SER 20 8.250 -0.212 -6.244
133 HA SER 20 HA SER 20 7.681 1.059 -3.737
134 HB2 SER 20 2HB SER 20 6.874 1.923 -6.530
135 HB3 SER 20 1HB SER 20 6.898 2.934 -5.084
136 HG SER 20 HG SER 20 9.281 1.672 -5.614
137 H TYR 21 H TYR 21 5.994 0.522 -2.562
138 HA TYR 21 HA TYR 21 3.554 -0.404 -3.923
139 HB2 TYR 21 2HB TYR 21 3.087 -1.771 -1.925
140 HB3 TYR 21 1HB TYR 21 4.618 -2.219 -2.667
141 HD1 TYR 21 1HD TYR 21 3.176 -0.199 0.118
142 HD2 TYR 21 2HD TYR 21 6.573 -2.285 -1.371
143 HE1 TYR 21 1HE TYR 21 4.307 0.100 2.282
144 HE2 TYR 21 2HE TYR 21 7.706 -1.994 0.785
145 HH TYR 21 HH TYR 21 6.087 -0.891 3.588
146 H TYR 22 H TYR 22 1.611 -0.193 -2.409
147 HA TYR 22 HA TYR 22 1.753 2.367 -0.975
148 HB2 TYR 22 2HB TYR 22 -0.657 1.123 -2.323
149 HB3 TYR 22 1HB TYR 22 -0.629 2.658 -1.464
150 HD1 TYR 22 1HD TYR 22 1.163 4.394 -2.402
151 HD2 TYR 22 2HD TYR 22 -0.479 1.148 -4.610
152 HE1 TYR 22 1HE TYR 22 1.728 5.545 -4.502
153 HE2 TYR 22 2HE TYR 22 0.085 2.284 -6.715
154 HH TYR 22 HH TYR 22 2.181 4.873 -6.909
155 H VAL 23 H VAL 23 1.273 2.322 1.119
156 HA VAL 23 HA VAL 23 -0.049 -0.101 2.116
157 HB VAL 23 HB VAL 23 2.123 -0.127 3.052
158 HG11 VAL 23 1HG1 VAL 23 2.815 2.131 2.574
159 HG12 VAL 23 2HG1 VAL 23 3.089 1.771 4.277
160 HG13 VAL 23 3HG1 VAL 23 1.710 2.756 3.794
161 HG21 VAL 23 3HG2 VAL 23 0.358 -0.645 4.636
162 HG22 VAL 23 1HG2 VAL 23 0.229 1.056 5.076
163 HG23 VAL 23 2HG2 VAL 23 1.698 0.159 5.455
164 H ASP 24 H ASP 24 -1.988 0.174 2.828
165 HA ASP 24 HA ASP 24 -3.116 2.784 3.150
166 HB2 ASP 24 2HB ASP 24 -4.599 1.195 2.246
167 HB3 ASP 24 1HB ASP 24 -4.167 -0.022 3.446
168 H HIS 25 H HIS 25 -3.419 3.915 4.997
169 HA HIS 25 HA HIS 25 -2.168 2.888 7.390
170 HB2 HIS 25 2HB HIS 25 -3.392 5.546 6.688
171 HB3 HIS 25 1HB HIS 25 -2.839 5.174 8.316
172 HD1 HIS 25 1HD HIS 25 -0.188 4.594 8.504
173 HD2 HIS 25 2HD HIS 25 -1.440 6.439 4.990
174 HE1 HIS 25 1HE HIS 25 1.884 5.567 7.475
175 HE2 HIS 25 2HE HIS 25 1.080 6.851 5.460
176 H ASN 26 H ASN 26 -5.257 2.632 6.129
177 HA ASN 26 HA ASN 26 -6.771 3.028 8.543
178 HB2 ASN 26 2HB ASN 26 -7.457 1.784 5.881
179 HB3 ASN 26 1HB ASN 26 -8.596 1.827 7.220
180 HD21 ASN 26 1HD2 ASN 26 -7.026 3.622 4.734
181 HD22 ASN 26 2HD2 ASN 26 -7.902 5.103 4.973
182 H SER 27 H SER 27 -5.930 0.110 6.633
183 HA SER 27 HA SER 27 -6.389 -1.493 9.047
184 HB2 SER 27 2HB SER 27 -5.754 -2.358 6.213
185 HB3 SER 27 1HB SER 27 -6.184 -3.429 7.548
186 HG SER 27 HG SER 27 -7.977 -1.401 7.160
187 H LYS 28 H LYS 28 -3.974 0.115 7.433
188 HA LYS 28 HA LYS 28 -1.729 0.266 7.665
189 HB2 LYS 28 2HB LYS 28 -2.252 -1.443 10.108
190 HB3 LYS 28 1HB LYS 28 -0.706 -0.684 9.742
191 HG2 LYS 28 2HG LYS 28 -1.655 1.498 9.927
192 HG3 LYS 28 1HG LYS 28 -3.281 0.833 10.058
193 HD2 LYS 28 2HD LYS 28 -2.675 -0.208 12.190
194 HD3 LYS 28 1HD LYS 28 -1.053 0.478 12.059
195 HE2 LYS 28 2HE LYS 28 -2.467 1.830 13.514
196 HE3 LYS 28 1HE LYS 28 -1.987 2.722 12.072
197 HZ1 LYS 28 3HZ LYS 28 -4.310 3.076 12.577
198 HZ2 LYS 28 1HZ LYS 28 -4.618 1.408 12.516
199 HZ3 LYS 28 2HZ LYS 28 -4.163 2.246 11.110
200 H THR 29 H THR 29 -2.835 -1.524 5.944
201 HA THR 29 HA THR 29 -1.127 -3.901 6.031
202 HB THR 29 HB THR 29 -2.778 -4.445 4.027
203 HG1 THR 29 1HG THR 29 -4.330 -3.006 3.891
204 HG21 THR 29 3HG2 THR 29 -2.530 -5.774 6.047
205 HG22 THR 29 1HG2 THR 29 -4.234 -5.580 5.647
206 HG23 THR 29 2HG2 THR 29 -3.517 -4.620 6.942
207 H THR 30 H THR 30 0.487 -4.109 4.610
208 HA THR 30 HA THR 30 0.859 -2.069 2.602
209 HB THR 30 HB THR 30 2.831 -2.680 3.811
210 HG1 THR 30 1HG THR 30 3.687 -2.370 1.903
211 HG21 THR 30 3HG2 THR 30 2.378 -5.527 2.901
212 HG22 THR 30 1HG2 THR 30 2.152 -4.916 4.542
213 HG23 THR 30 2HG2 THR 30 3.762 -4.936 3.822
214 H THR 31 H THR 31 -0.207 -2.253 0.769
215 HA THR 31 HA THR 31 -0.600 -4.918 -0.388
216 HB THR 31 HB THR 31 -2.654 -4.422 0.753
217 HG1 THR 31 1HG THR 31 -4.090 -4.437 -1.014
218 HG21 THR 31 3HG2 THR 31 -2.668 -1.796 -0.730
219 HG22 THR 31 1HG2 THR 31 -2.408 -2.015 1.001
220 HG23 THR 31 2HG2 THR 31 -3.971 -2.406 0.286
221 H TRP 32 H TRP 32 0.151 -4.973 -2.410
222 HA TRP 32 HA TRP 32 0.658 -2.494 -3.797
223 HB2 TRP 32 2HB TRP 32 2.218 -4.420 -3.910
224 HB3 TRP 32 1HB TRP 32 0.979 -5.358 -4.724
225 HD1 TRP 32 HD TRP 32 3.108 -5.579 -6.491
226 HE1 TRP 32 1HE TRP 32 3.574 -4.195 -8.608
227 HE3 TRP 32 3HE TRP 32 0.332 -1.398 -5.393
228 HZ2 TRP 32 2HZ TRP 32 2.891 -1.665 -9.662
229 HZ3 TRP 32 3HZ TRP 32 0.303 0.447 -7.018
230 HH2 TRP 32 HH TRP 32 1.556 0.318 -9.105
231 H SER 33 H SER 33 -1.251 -1.561 -4.245
232 HA SER 33 HA SER 33 -3.058 -2.991 -6.049
233 HB2 SER 33 2HB SER 33 -3.894 -1.237 -3.724
234 HB3 SER 33 1HB SER 33 -4.989 -1.960 -4.906
235 HG SER 33 HG SER 33 -3.474 -3.198 -2.876
236 H LYS 34 H LYS 34 -2.935 -1.989 -7.883
237 HA LYS 34 HA LYS 34 -2.194 0.769 -8.122
238 HB2 LYS 34 2HB LYS 34 -1.992 0.363 -10.434
239 HB3 LYS 34 1HB LYS 34 -1.450 -1.111 -9.656
240 HG2 LYS 34 2HG LYS 34 -4.216 -0.753 -10.792
241 HG3 LYS 34 1HG LYS 34 -2.863 -1.377 -11.726
242 HD2 LYS 34 2HD LYS 34 -3.978 -3.295 -11.041
243 HD3 LYS 34 1HD LYS 34 -2.683 -3.152 -9.855
244 HE2 LYS 34 2HE LYS 34 -4.150 -2.366 -8.192
245 HE3 LYS 34 1HE LYS 34 -5.435 -2.021 -9.348
246 HZ1 LYS 34 3HZ LYS 34 -4.429 -4.714 -8.559
247 HZ2 LYS 34 1HZ LYS 34 -5.645 -4.435 -9.714
248 HZ3 LYS 34 2HZ LYS 34 -5.902 -4.019 -8.089
249 HA PRO 35 HA PRO 35 -6.541 1.933 -8.344
250 HB2 PRO 35 2HB PRO 35 -5.791 4.586 -7.587
251 HB3 PRO 35 1HB PRO 35 -6.562 3.347 -6.594
252 HG2 PRO 35 2HG PRO 35 -4.012 4.306 -6.165
253 HG3 PRO 35 1HG PRO 35 -4.606 2.724 -5.619
254 HD2 PRO 35 2HD PRO 35 -2.997 3.391 -8.065
255 HD3 PRO 35 1HD PRO 35 -2.794 2.039 -6.922
256 H THR 36 H THR 36 -7.421 2.445 -10.245
257 HA THR 36 HA THR 36 -6.173 4.509 -11.916
258 HB THR 36 HB THR 36 -7.101 1.897 -13.114
259 HG1 THR 36 1HG THR 36 -4.631 2.565 -11.918
260 HG21 THR 36 3HG2 THR 36 -5.630 2.574 -14.962
261 HG22 THR 36 1HG2 THR 36 -5.219 4.053 -14.092
262 HG23 THR 36 2HG2 THR 36 -6.872 3.784 -14.644
263 H MET 37 H MET 37 -8.774 3.823 -10.288
264 HA MET 37 HA MET 37 -10.548 5.066 -12.242
265 HB2 MET 37 2HB MET 37 -12.402 3.571 -11.702
266 HB3 MET 37 1HB MET 37 -11.053 2.671 -12.378
267 HG2 MET 37 2HG MET 37 -10.423 1.890 -10.186
268 HG3 MET 37 1HG MET 37 -11.683 2.873 -9.444
269 HE1 MET 37 3HE MET 37 -11.880 0.865 -12.787
270 HE2 MET 37 1HE MET 37 -12.587 -0.667 -12.269
271 HE3 MET 37 2HE MET 37 -10.947 -0.241 -11.777
272 H GLN 38 H GLU 38 -12.467 6.013 -11.240
273 HA GLN 38 HA GLU 38 -11.714 7.233 -8.707
274 HB2 GLN 38 2HB GLU 38 -13.959 7.891 -10.634
275 HB3 GLN 38 1HB GLU 38 -13.618 8.782 -9.158
276 HG2 GLN 38 2HG GLU 38 -12.705 10.005 -10.983
277 HG3 GLN 38 1HG GLU 38 -11.361 9.302 -10.080
278 H ASP 39 H ASP 39 -12.185 5.807 -7.112
279 HA ASP 39 HA ASP 39 -14.913 4.778 -6.947
280 HB2 ASP 39 2HB ASP 39 -13.098 3.167 -6.535
281 HB3 ASP 39 1HB ASP 39 -12.514 4.167 -5.211
282 H1 ALA 40 1HT ALA 40 -12.478 0.982 5.514
283 H2 ALA 40 2HT ALA 40 -11.394 0.738 6.800
284 H3 ALA 40 3HT ALA 40 -12.920 0.007 6.830
285 HA ALA 40 HA ALA 40 -12.372 -1.368 4.957
286 HB1 ALA 40 2HB ALA 40 -10.902 0.181 3.807
287 HB2 ALA 40 3HB ALA 40 -10.078 -1.357 4.067
288 HB3 ALA 40 1HB ALA 40 -9.701 0.029 5.091
289 HA PRO 41 HA PRO 41 -10.747 -3.947 8.242
290 HB2 PRO 41 2HB PRO 41 -11.493 -6.299 7.234
291 HB3 PRO 41 1HB PRO 41 -12.694 -5.147 7.831
292 HG2 PRO 41 2HG PRO 41 -11.916 -5.793 5.029
293 HG3 PRO 41 1HG PRO 41 -13.512 -5.412 5.698
294 HD2 PRO 41 2HD PRO 41 -11.834 -3.626 4.354
295 HD3 PRO 41 1HD PRO 41 -13.220 -3.189 5.370
296 H LEU 42 H LEU 42 -9.247 -5.796 8.419
297 HA LEU 42 HA LEU 42 -6.817 -5.250 7.226
298 HB2 LEU 42 2HB LEU 42 -7.864 -7.645 8.702
299 HB3 LEU 42 1HB LEU 42 -6.251 -7.666 8.022
300 HG LEU 42 HG LEU 42 -6.146 -7.094 10.368
301 HD11 LEU 42 1HD1 LEU 42 -4.940 -4.978 10.238
302 HD12 LEU 42 2HD1 LEU 42 -5.609 -4.690 8.631
303 HD13 LEU 42 3HD1 LEU 42 -4.516 -6.051 8.902
304 HD21 LEU 42 3HD2 LEU 42 -7.159 -5.058 11.256
305 HD22 LEU 42 1HD2 LEU 42 -8.385 -6.180 10.661
306 HD23 LEU 42 2HD2 LEU 42 -7.942 -4.767 9.703
307 H SEP 43 H SEP 43 -5.930 -5.702 5.367
308 HA SEP 43 HA SEP 43 -7.197 -7.630 3.570
309 HB2 SEP 43 1HB SEP 43 -5.884 -6.471 1.817
310 HB3 SEP 43 2HB SEP 43 -5.159 -5.447 3.058
311 HA PRO 44 HA PRO 44 -3.555 -10.325 3.501
312 HB2 PRO 44 2HB PRO 44 -3.075 -10.584 0.819
313 HB3 PRO 44 1HB PRO 44 -4.333 -11.480 1.677
314 HG2 PRO 44 2HG PRO 44 -4.574 -8.991 0.023
315 HG3 PRO 44 1HG PRO 44 -5.633 -10.414 0.065
316 HD2 PRO 44 2HD PRO 44 -6.266 -8.133 1.344
317 HD3 PRO 44 1HD PRO 44 -6.684 -9.725 2.013
318 H MET 45 H MET 45 -1.273 -10.156 3.249
319 HA MET 45 HA MET 45 -0.382 -7.498 2.350
320 HB2 MET 45 2HB MET 45 0.706 -9.158 4.628
321 HB3 MET 45 1HB MET 45 1.369 -7.620 4.093
322 HG2 MET 45 2HG MET 45 -0.693 -6.489 4.687
323 HG3 MET 45 1HG MET 45 -1.422 -8.025 5.147
324 HE1 MET 45 3HE MET 45 -0.610 -9.487 7.177
325 HE2 MET 45 1HE MET 45 0.684 -9.020 8.283
326 HE3 MET 45 2HE MET 45 1.059 -9.438 6.611
327 H SEP 46 H SEP 46 1.600 -7.365 1.254
328 HA SEP 46 HA SEP 46 2.533 -9.956 0.226
329 HB2 SEP 46 1HB SEP 46 2.793 -8.894 -1.992
330 HB3 SEP 46 2HB SEP 46 2.088 -7.410 -1.347
331 HA PRO 47 HA PRO 47 6.454 -7.448 -0.101
332 HB2 PRO 47 2HB PRO 47 6.249 -4.632 0.036
333 HB3 PRO 47 1HB PRO 47 6.404 -5.614 -1.422
334 HG2 PRO 47 2HG PRO 47 4.185 -4.090 -0.707
335 HG3 PRO 47 1HG PRO 47 4.211 -5.365 -1.930
336 HD2 PRO 47 2HD PRO 47 3.269 -5.491 0.907
337 HD3 PRO 47 1HD PRO 47 2.624 -6.301 -0.540
338 HA PRO 48 HA PRO 48 7.516 -6.697 4.157
339 HB2 PRO 48 2HB PRO 48 10.172 -6.294 3.877
340 HB3 PRO 48 1HB PRO 48 9.432 -7.889 3.680
341 HG2 PRO 48 2HG PRO 48 10.251 -5.912 1.574
342 HG3 PRO 48 1HG PRO 48 10.524 -7.666 1.625
343 HD2 PRO 48 2HD PRO 48 8.526 -6.539 0.183
344 HD3 PRO 48 1HD PRO 48 8.377 -8.145 0.927
345 H GLY 49 H GLY 49 7.862 -4.977 5.545
346 HA2 GLY 49 2HA GLY 49 9.271 -2.752 5.431
347 HA3 GLY 49 1HA GLY 49 7.991 -2.336 4.304
348 H TYR 50 H TYR 50 5.801 -2.336 5.097
349 HA TYR 50 HA TYR 50 5.635 -0.976 7.591
350 HB2 TYR 50 2HB TYR 50 4.135 -0.835 5.405
351 HB3 TYR 50 1HB TYR 50 3.183 -2.055 6.249
352 HD1 TYR 50 1HD TYR 50 4.282 1.450 6.274
353 HD2 TYR 50 2HD TYR 50 1.945 -1.511 8.231
354 HE1 TYR 50 1HE TYR 50 3.180 3.203 7.597
355 HE2 TYR 50 2HE TYR 50 0.832 0.231 9.557
356 HH TYR 50 HH TYR 50 0.951 3.476 8.819
357 H LYS 51 H LYS 51 5.010 -4.224 6.498
358 HA LYS 51 HA LYS 51 4.592 -5.048 9.285
359 HB2 LYS 51 2HB LYS 51 3.024 -5.950 6.863
360 HB3 LYS 51 1HB LYS 51 3.034 -6.828 8.388
361 HG2 LYS 51 2HG LYS 51 2.198 -3.950 8.140
362 HG3 LYS 51 1HG LYS 51 1.078 -5.306 8.014
363 HD2 LYS 51 2HD LYS 51 1.748 -6.040 10.279
364 HD3 LYS 51 1HD LYS 51 2.816 -4.643 10.399
365 HE2 LYS 51 2HE LYS 51 0.703 -4.259 11.561
366 HE3 LYS 51 1HE LYS 51 0.898 -3.148 10.204
367 HZ1 LYS 51 3HZ LYS 51 -0.534 -4.622 8.888
368 HZ2 LYS 51 1HZ LYS 51 -1.336 -4.022 10.250
369 HZ3 LYS 51 2HZ LYS 51 -0.767 -5.616 10.241
370 H LEU 52 H LEU 52 5.321 -7.184 9.743
371 HA LEU 52 HA LEU 52 6.937 -8.497 7.688
372 HB2 LEU 52 2HB LEU 52 7.939 -7.694 10.421
373 HB3 LEU 52 1HB LEU 52 8.767 -8.825 9.371
374 HG LEU 52 HG LEU 52 8.222 -5.935 8.666
375 HD11 LEU 52 1HD1 LEU 52 9.769 -6.099 10.536
376 HD12 LEU 52 2HD1 LEU 52 10.607 -5.595 9.067
377 HD13 LEU 52 3HD1 LEU 52 10.746 -7.258 9.636
378 HD21 LEU 52 3HD2 LEU 52 8.439 -7.440 6.737
379 HD22 LEU 52 1HD2 LEU 52 9.992 -7.998 7.361
380 HD23 LEU 52 2HD2 LEU 52 9.794 -6.319 6.858
381 H VAL 53 H VAL 53 7.886 -10.621 8.813
382 HA VAL 53 HA VAL 53 5.537 -12.007 9.843
383 HB VAL 53 HB VAL 53 8.218 -13.172 9.058
384 HG11 VAL 53 1HG1 VAL 53 6.862 -14.562 10.588
385 HG12 VAL 53 2HG1 VAL 53 7.065 -15.304 9.004
386 HG13 VAL 53 3HG1 VAL 53 5.539 -14.527 9.422
387 HG21 VAL 53 3HG2 VAL 53 5.689 -12.980 7.419
388 HG22 VAL 53 1HG2 VAL 53 7.175 -13.801 6.944
389 HG23 VAL 53 2HG2 VAL 53 7.164 -12.051 7.155
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -5.156 20.395 -5.063
2 H2 GLY 1 2HT GLY 1 -6.231 21.560 -4.460
3 H3 GLY 1 3HT GLY 1 -5.835 21.546 -6.106
4 HA2 GLY 1 1HA GLY 1 -8.054 20.612 -5.649
5 HA3 GLY 1 2HA GLY 1 -6.961 19.491 -6.455
6 H SER 2 H SER 2 -8.683 18.011 -5.478
7 HA SER 2 HA SER 2 -7.783 17.216 -2.786
8 HB2 SER 2 2HB SER 2 -10.568 16.868 -3.922
9 HB3 SER 2 1HB SER 2 -10.038 16.436 -2.297
10 HG SER 2 HG SER 2 -10.998 18.753 -3.119
11 H SER 3 H SER 3 -7.669 16.395 -5.937
12 HA SER 3 HA SER 3 -8.057 13.532 -5.614
13 HB2 SER 3 2HB SER 3 -7.106 15.094 -8.029
14 HB3 SER 3 1HB SER 3 -7.611 13.406 -8.009
15 HG SER 3 HG SER 3 -9.307 14.715 -8.721
16 H SER 4 H SER 4 -6.400 12.019 -5.682
17 HA SER 4 HA SER 4 -3.650 13.014 -5.743
18 HB2 SER 4 2HB SER 4 -4.807 11.354 -3.486
19 HB3 SER 4 1HB SER 4 -3.104 11.781 -3.667
20 HG SER 4 HG SER 4 -4.929 13.879 -3.727
21 H GLY 5 H GLY 5 -5.555 11.177 -7.349
22 HA2 GLY 5 2HA GLY 5 -5.240 9.292 -8.646
23 HA3 GLY 5 1HA GLY 5 -3.631 9.149 -7.955
24 H LEU 6 H LEU 6 -3.769 8.559 -5.501
25 HA LEU 6 HA LEU 6 -5.375 6.116 -5.336
26 HB2 LEU 6 2HB LEU 6 -3.793 5.795 -3.258
27 HB3 LEU 6 1HB LEU 6 -3.246 5.437 -4.880
28 HG LEU 6 HG LEU 6 -2.146 7.685 -4.937
29 HD11 LEU 6 1HD1 LEU 6 -1.749 8.809 -2.797
30 HD12 LEU 6 2HD1 LEU 6 -2.863 7.691 -2.013
31 HD13 LEU 6 3HD1 LEU 6 -3.458 8.815 -3.235
32 HD21 LEU 6 3HD2 LEU 6 -0.269 7.029 -3.525
33 HD22 LEU 6 1HD2 LEU 6 -0.888 5.667 -4.463
34 HD23 LEU 6 2HD2 LEU 6 -1.284 5.811 -2.749
35 HA PRO 7 HA PRO 7 -8.154 7.680 -2.294
36 HB2 PRO 7 2HB PRO 7 -7.712 5.165 -0.779
37 HB3 PRO 7 1HB PRO 7 -9.216 5.860 -1.391
38 HG2 PRO 7 2HG PRO 7 -8.135 3.748 -2.585
39 HG3 PRO 7 1HG PRO 7 -8.858 5.053 -3.547
40 HD2 PRO 7 2HD PRO 7 -5.969 4.494 -2.977
41 HD3 PRO 7 1HD PRO 7 -6.739 4.973 -4.502
42 HA PRO 8 HA PRO 8 -5.810 9.596 0.945
43 HB2 PRO 8 2HB PRO 8 -8.328 9.262 2.511
44 HB3 PRO 8 1HB PRO 8 -7.353 10.714 2.251
45 HG2 PRO 8 2HG PRO 8 -9.636 10.384 0.940
46 HG3 PRO 8 1HG PRO 8 -8.222 11.072 0.122
47 HD2 PRO 8 2HD PRO 8 -9.376 8.324 -0.077
48 HD3 PRO 8 1HD PRO 8 -8.636 9.330 -1.336
49 H GLY 9 H GLY 9 -4.412 8.726 2.306
50 HA2 GLY 9 2HA GLY 9 -3.862 7.500 4.284
51 HA3 GLY 9 1HA GLY 9 -5.258 6.474 3.987
52 H TRP 10 H TRP 10 -4.251 6.547 1.037
53 HA TRP 10 HA TRP 10 -2.579 4.190 1.344
54 HB2 TRP 10 2HB TRP 10 -4.005 5.407 -1.028
55 HB3 TRP 10 1HB TRP 10 -2.918 4.024 -1.164
56 HD1 TRP 10 HD TRP 10 -6.194 4.981 0.695
57 HE1 TRP 10 1HE TRP 10 -7.563 2.824 1.024
58 HE3 TRP 10 3HE TRP 10 -2.886 1.637 -1.235
59 HZ2 TRP 10 2HZ TRP 10 -7.262 0.052 0.522
60 HZ3 TRP 10 3HZ TRP 10 -3.475 -0.743 -1.276
61 HH2 TRP 10 HH TRP 10 -5.616 -1.517 -0.421
62 H GLU 11 H GLU 11 -0.458 4.145 0.999
63 HA GLU 11 HA GLU 11 0.813 6.602 -0.004
64 HB2 GLU 11 2HB GLU 11 1.442 6.057 2.267
65 HB3 GLU 11 1HB GLU 11 1.848 4.414 1.798
66 HG2 GLU 11 2HG GLU 11 3.858 5.705 2.114
67 HG3 GLU 11 1HG GLU 11 3.684 5.253 0.420
68 H GLU 12 H GLU 12 2.454 6.497 -1.533
69 HA GLU 12 HA GLU 12 2.427 4.087 -3.213
70 HB2 GLU 12 2HB GLU 12 1.900 6.418 -4.115
71 HB3 GLU 12 1HB GLU 12 3.590 6.810 -3.845
72 HG2 GLU 12 2HG GLU 12 2.746 4.503 -5.567
73 HG3 GLU 12 1HG GLU 12 2.877 6.142 -6.195
74 H LYS 13 H LYS 13 4.095 2.705 -2.981
75 HA LYS 13 HA LYS 13 6.762 3.731 -2.388
76 HB2 LYS 13 2HB LYS 13 5.193 1.903 -0.594
77 HB3 LYS 13 1HB LYS 13 6.949 1.849 -0.625
78 HG2 LYS 13 2HG LYS 13 5.458 4.406 -0.144
79 HG3 LYS 13 1HG LYS 13 5.843 3.283 1.164
80 HD2 LYS 13 2HD LYS 13 8.159 3.552 0.863
81 HD3 LYS 13 1HD LYS 13 7.947 4.286 -0.729
82 HE2 LYS 13 2HE LYS 13 6.971 5.560 1.821
83 HE3 LYS 13 1HE LYS 13 8.559 5.878 1.124
84 HZ1 LYS 13 3HZ LYS 13 7.469 6.650 -0.899
85 HZ2 LYS 13 1HZ LYS 13 6.981 7.562 0.440
86 HZ3 LYS 13 2HZ LYS 13 5.950 6.383 -0.213
87 H GLN 14 H GLN 14 8.339 1.764 -2.277
88 HA GLN 14 HA GLN 14 7.578 -0.086 -4.426
89 HB2 GLN 14 2HB GLN 14 10.210 -0.121 -4.740
90 HB3 GLN 14 1HB GLN 14 9.211 1.099 -5.512
91 HG2 GLN 14 2HG GLN 14 11.091 2.202 -4.610
92 HG3 GLN 14 1HG GLN 14 9.716 2.609 -3.597
93 HE21 GLN 14 1HE2 GLN 14 11.443 -0.448 -3.459
94 HE22 GLN 14 2HE2 GLN 14 12.073 -0.222 -1.867
95 H ASP 15 H ASP 15 8.067 -2.209 -4.233
96 HA ASP 15 HA ASP 15 8.650 -3.299 -1.652
97 HB2 ASP 15 2HB ASP 15 8.716 -4.623 -4.370
98 HB3 ASP 15 1HB ASP 15 8.798 -5.469 -2.840
99 H ASP 16 H ASP 16 10.528 -4.559 -1.107
100 HA ASP 16 HA ASP 16 13.059 -3.748 -1.933
101 HB2 ASP 16 2HB ASP 16 12.678 -5.047 0.106
102 HB3 ASP 16 1HB ASP 16 12.172 -6.437 -0.848
103 H ARG 17 H ARG 17 10.786 -5.936 -3.355
104 HA ARG 17 HA ARG 17 12.638 -7.164 -5.176
105 HB2 ARG 17 2HB ARG 17 9.616 -7.183 -5.105
106 HB3 ARG 17 1HB ARG 17 10.602 -8.143 -6.198
107 HG2 ARG 17 2HG ARG 17 10.547 -8.356 -3.196
108 HG3 ARG 17 1HG ARG 17 9.850 -9.496 -4.350
109 HD2 ARG 17 2HD ARG 17 12.135 -9.832 -5.282
110 HD3 ARG 17 1HD ARG 17 12.764 -8.837 -3.972
111 HE ARG 17 HE ARG 17 11.287 -11.353 -3.493
112 HH11 ARG 17 1HH1 ARG 17 13.952 -9.181 -2.832
113 HH12 ARG 17 2HH1 ARG 17 14.658 -10.198 -1.620
114 HH21 ARG 17 1HH2 ARG 17 12.210 -12.711 -1.902
115 HH22 ARG 17 2HH2 ARG 17 13.662 -12.216 -1.083
116 H GLY 18 H GLY 18 11.253 -4.143 -5.068
117 HA2 GLY 18 2HA GLY 18 11.637 -2.453 -6.621
118 HA3 GLY 18 1HA GLY 18 12.077 -3.667 -7.807
119 H ARG 19 H ARG 19 9.073 -3.988 -6.105
120 HA ARG 19 HA ARG 19 7.639 -3.287 -8.568
121 HB2 ARG 19 2HB ARG 19 6.619 -4.715 -6.101
122 HB3 ARG 19 1HB ARG 19 5.736 -4.474 -7.601
123 HG2 ARG 19 2HG ARG 19 8.193 -6.171 -7.212
124 HG3 ARG 19 1HG ARG 19 6.543 -6.729 -7.495
125 HD2 ARG 19 2HD ARG 19 8.214 -5.109 -9.412
126 HD3 ARG 19 1HD ARG 19 7.900 -6.841 -9.531
127 HE ARG 19 HE ARG 19 5.413 -5.903 -9.540
128 HH11 ARG 19 1HH1 ARG 19 8.223 -4.722 -11.257
129 HH12 ARG 19 2HH1 ARG 19 7.309 -4.111 -12.601
130 HH21 ARG 19 1HH2 ARG 19 4.212 -5.152 -11.287
131 HH22 ARG 19 2HH2 ARG 19 5.005 -4.376 -12.628
132 H SER 20 H SER 20 5.752 -1.893 -8.415
133 HA SER 20 HA SER 20 5.998 0.060 -6.266
134 HB2 SER 20 2HB SER 20 4.318 0.085 -8.783
135 HB3 SER 20 1HB SER 20 4.432 1.415 -7.628
136 HG SER 20 HG SER 20 6.852 0.461 -8.548
137 H TYR 21 H TYR 21 4.904 -0.389 -4.461
138 HA TYR 21 HA TYR 21 2.256 -1.634 -4.751
139 HB2 TYR 21 2HB TYR 21 2.515 -2.655 -2.599
140 HB3 TYR 21 1HB TYR 21 3.955 -3.017 -3.535
141 HD1 TYR 21 1HD TYR 21 2.747 -0.483 -1.039
142 HD2 TYR 21 2HD TYR 21 5.985 -2.839 -2.464
143 HE1 TYR 21 1HE TYR 21 4.132 0.297 0.838
144 HE2 TYR 21 2HE TYR 21 7.379 -2.065 -0.603
145 HH TYR 21 HH TYR 21 7.537 -0.293 0.966
146 H TYR 22 H TYR 22 0.794 -1.113 -2.840
147 HA TYR 22 HA TYR 22 1.214 1.655 -1.949
148 HB2 TYR 22 2HB TYR 22 -1.458 0.412 -2.676
149 HB3 TYR 22 1HB TYR 22 -1.197 2.034 -2.035
150 HD1 TYR 22 2HD TYR 22 0.412 3.560 -3.416
151 HD2 TYR 22 1HD TYR 22 -1.588 0.153 -4.985
152 HE1 TYR 22 2HE TYR 22 0.676 4.459 -5.688
153 HE2 TYR 22 1HE TYR 22 -1.332 1.047 -7.261
154 HH TYR 22 HH TYR 22 -1.045 3.279 -8.326
155 H VAL 23 H VAL 23 1.135 1.931 0.182
156 HA VAL 23 HA VAL 23 0.229 -0.357 1.780
157 HB VAL 23 HB VAL 23 2.524 0.097 2.257
158 HG11 VAL 23 1HG1 VAL 23 2.632 2.386 1.379
159 HG12 VAL 23 2HG1 VAL 23 3.361 2.270 2.979
160 HG13 VAL 23 3HG1 VAL 23 1.752 2.963 2.789
161 HG21 VAL 23 3HG2 VAL 23 2.440 0.732 4.642
162 HG22 VAL 23 1HG2 VAL 23 1.213 -0.453 4.201
163 HG23 VAL 23 2HG2 VAL 23 0.766 1.239 4.420
164 H ASP 24 H ASP 24 -1.620 -0.199 2.735
165 HA ASP 24 HA ASP 24 -3.069 2.251 2.966
166 HB2 ASP 24 2HB ASP 24 -4.349 0.249 2.647
167 HB3 ASP 24 1HB ASP 24 -3.571 -0.541 4.013
168 H HIS 25 H HIS 25 -2.791 3.733 4.516
169 HA HIS 25 HA HIS 25 -1.302 3.052 6.897
170 HB2 HIS 25 2HB HIS 25 -2.435 5.641 5.863
171 HB3 HIS 25 1HB HIS 25 -1.732 5.510 7.471
172 HD1 HIS 25 1HD HIS 25 0.838 4.344 7.338
173 HD2 HIS 25 2HD HIS 25 -0.607 6.449 4.052
174 HE1 HIS 25 1HE HIS 25 2.862 4.929 5.966
175 HE2 HIS 25 2HE HIS 25 1.987 6.443 4.156
176 H ASN 26 H ASN 26 -4.556 2.898 6.061
177 HA ASN 26 HA ASN 26 -5.683 3.737 8.563
178 HB2 ASN 26 2HB ASN 26 -6.852 2.060 6.327
179 HB3 ASN 26 1HB ASN 26 -7.761 2.623 7.723
180 HD21 ASN 26 1HD2 ASN 26 -6.281 3.474 4.721
181 HD22 ASN 26 2HD2 ASN 26 -6.967 5.068 4.598
182 H SER 27 H SER 27 -5.179 0.553 7.032
183 HA SER 27 HA SER 27 -5.418 -0.712 9.668
184 HB2 SER 27 2HB SER 27 -4.949 -2.123 7.043
185 HB3 SER 27 1HB SER 27 -5.696 -2.751 8.509
186 HG SER 27 HG SER 27 -6.760 -0.822 6.717
187 H LYS 28 H LYS 28 -3.135 0.619 7.708
188 HA LYS 28 HA LYS 28 -0.900 0.615 7.524
189 HB2 LYS 28 2HB LYS 28 -1.081 -0.585 10.290
190 HB3 LYS 28 1HB LYS 28 0.420 -0.046 9.539
191 HG2 LYS 28 2HG LYS 28 -0.587 2.211 9.289
192 HG3 LYS 28 1HG LYS 28 -1.975 1.646 10.210
193 HD2 LYS 28 2HD LYS 28 0.875 1.742 11.192
194 HD3 LYS 28 1HD LYS 28 -0.394 2.894 11.602
195 HE2 LYS 28 2HE LYS 28 -1.694 0.941 12.529
196 HE3 LYS 28 1HE LYS 28 -0.227 -0.020 12.334
197 HZ1 LYS 28 3HZ LYS 28 -0.184 0.753 14.536
198 HZ2 LYS 28 1HZ LYS 28 -0.654 2.324 14.094
199 HZ3 LYS 28 2HZ LYS 28 0.895 1.764 13.707
200 H THR 29 H THR 29 -1.260 -0.834 5.799
201 HA THR 29 HA THR 29 0.045 -3.417 6.156
202 HB THR 29 HB THR 29 -2.728 -3.159 4.958
203 HG1 THR 29 1HG THR 29 -2.419 -3.035 7.364
204 HG21 THR 29 3HG2 THR 29 -2.686 -5.627 4.951
205 HG22 THR 29 1HG2 THR 29 -1.005 -5.580 5.476
206 HG23 THR 29 2HG2 THR 29 -1.453 -4.929 3.899
207 H THR 30 H THR 30 1.393 -3.713 4.524
208 HA THR 30 HA THR 30 1.246 -2.080 2.145
209 HB THR 30 HB THR 30 3.251 -4.052 3.229
210 HG1 THR 30 1HG THR 30 4.482 -1.911 2.813
211 HG21 THR 30 3HG2 THR 30 3.399 -2.626 0.572
212 HG22 THR 30 1HG2 THR 30 3.203 -4.364 0.803
213 HG23 THR 30 2HG2 THR 30 4.691 -3.570 1.314
214 H THR 31 H THR 31 0.454 -2.722 0.206
215 HA THR 31 HA THR 31 0.252 -5.571 -0.361
216 HB THR 31 HB THR 31 -1.909 -4.945 0.687
217 HG1 THR 31 1HG THR 31 -2.631 -5.384 -1.964
218 HG21 THR 31 3HG2 THR 31 -2.262 -3.167 -1.731
219 HG22 THR 31 1HG2 THR 31 -1.989 -2.600 -0.083
220 HG23 THR 31 2HG2 THR 31 -3.464 -3.479 -0.480
221 H TRP 32 H TRP 32 -0.398 -5.950 -2.643
222 HA TRP 32 HA TRP 32 1.266 -4.524 -4.393
223 HB2 TRP 32 2HB TRP 32 -0.335 -5.865 -6.112
224 HB3 TRP 32 1HB TRP 32 1.020 -6.592 -5.258
225 HD1 TRP 32 HD TRP 32 0.514 -8.455 -3.538
226 HE1 TRP 32 1HE TRP 32 -1.615 -9.675 -2.776
227 HE3 TRP 32 3HE TRP 32 -2.959 -5.415 -5.726
228 HZ2 TRP 32 2HZ TRP 32 -4.418 -9.373 -3.070
229 HZ3 TRP 32 3HZ TRP 32 -5.342 -5.942 -5.442
230 HH2 TRP 32 HH TRP 32 -6.058 -7.881 -4.141
231 H SER 33 H SER 33 0.248 -3.924 -6.668
232 HA SER 33 HA SER 33 -0.622 -1.329 -6.243
233 HB2 SER 33 2HB SER 33 -0.972 -2.855 -8.824
234 HB3 SER 33 1HB SER 33 -0.690 -1.128 -8.615
235 HG SER 33 HG SER 33 1.382 -1.774 -7.640
236 H LYS 34 H LYS 34 -2.474 -0.688 -5.494
237 HA LYS 34 HA LYS 34 -4.981 -1.987 -6.245
238 HB2 LYS 34 2HB LYS 34 -4.372 0.084 -4.122
239 HB3 LYS 34 1HB LYS 34 -5.972 -0.563 -4.451
240 HG2 LYS 34 2HG LYS 34 -3.589 -1.999 -3.323
241 HG3 LYS 34 1HG LYS 34 -5.139 -1.683 -2.551
242 HD2 LYS 34 2HD LYS 34 -4.572 -3.577 -4.825
243 HD3 LYS 34 1HD LYS 34 -5.061 -3.989 -3.184
244 HE2 LYS 34 2HE LYS 34 -6.731 -2.502 -5.204
245 HE3 LYS 34 1HE LYS 34 -6.909 -4.200 -4.784
246 HZ1 LYS 34 3HZ LYS 34 -7.454 -1.840 -3.079
247 HZ2 LYS 34 1HZ LYS 34 -7.364 -3.411 -2.454
248 HZ3 LYS 34 2HZ LYS 34 -8.543 -3.017 -3.603
249 HA PRO 35 HA PRO 35 -6.709 0.935 -9.019
250 HB2 PRO 35 2HB PRO 35 -8.493 2.443 -7.477
251 HB3 PRO 35 1HB PRO 35 -8.864 0.922 -8.301
252 HG2 PRO 35 2HG PRO 35 -7.986 1.370 -5.465
253 HG3 PRO 35 1HG PRO 35 -9.292 0.338 -6.069
254 HD2 PRO 35 2HD PRO 35 -7.042 -0.802 -5.418
255 HD3 PRO 35 1HD PRO 35 -7.744 -1.216 -7.003
256 H THR 36 H THR 36 -5.859 2.716 -9.844
257 HA THR 36 HA THR 36 -5.287 5.003 -8.103
258 HB THR 36 HB THR 36 -3.322 4.059 -10.204
259 HG1 THR 36 1HG THR 36 -3.749 3.022 -7.784
260 HG21 THR 36 3HG2 THR 36 -1.805 5.628 -9.082
261 HG22 THR 36 1HG2 THR 36 -3.095 6.075 -7.961
262 HG23 THR 36 2HG2 THR 36 -3.247 6.451 -9.678
263 H MET 37 H MET 37 -6.200 6.782 -8.939
264 HA MET 37 HA MET 37 -7.115 6.835 -11.673
265 HB2 MET 37 2HB MET 37 -7.057 8.989 -9.545
266 HB3 MET 37 1HB MET 37 -7.781 9.190 -11.133
267 HG2 MET 37 2HG MET 37 -9.351 7.384 -10.632
268 HG3 MET 37 1HG MET 37 -8.649 7.230 -9.022
269 HE1 MET 37 3HE MET 37 -8.660 9.252 -7.237
270 HE2 MET 37 1HE MET 37 -9.523 10.770 -7.489
271 HE3 MET 37 2HE MET 37 -8.077 10.407 -8.435
272 H GLN 38 H GLU 38 -6.307 8.158 -13.331
273 HA GLN 38 HA GLU 38 -3.457 8.580 -13.156
274 HB2 GLN 38 2HB GLU 38 -5.343 9.181 -15.445
275 HB3 GLN 38 1HB GLU 38 -3.588 9.166 -15.524
276 HG2 GLN 38 2HG GLU 38 -5.354 6.799 -14.958
277 HG3 GLN 38 1HG GLU 38 -4.539 7.149 -16.482
278 H ASP 39 H ASP 39 -3.586 10.195 -11.479
279 HA ASP 39 HA ASP 39 -4.337 12.851 -12.466
280 HB2 ASP 39 2HB ASP 39 -3.703 11.857 -9.680
281 HB3 ASP 39 1HB ASP 39 -3.917 13.557 -10.067
282 H1 ALA 40 1HT ALA 40 -9.998 -7.033 0.964
283 H2 ALA 40 2HT ALA 40 -11.441 -7.430 1.763
284 H3 ALA 40 3HT ALA 40 -9.961 -8.045 2.323
285 HA ALA 40 HA ALA 40 -10.649 -5.171 2.244
286 HB1 ALA 40 2HB ALA 40 -12.103 -6.384 3.799
287 HB2 ALA 40 3HB ALA 40 -10.978 -5.328 4.650
288 HB3 ALA 40 1HB ALA 40 -10.685 -7.067 4.592
289 HA PRO 41 HA PRO 41 -6.318 -4.618 3.170
290 HB2 PRO 41 2HB PRO 41 -7.037 -2.586 5.176
291 HB3 PRO 41 1HB PRO 41 -6.105 -2.408 3.689
292 HG2 PRO 41 2HG PRO 41 -8.585 -1.409 3.926
293 HG3 PRO 41 1HG PRO 41 -7.989 -2.069 2.391
294 HD2 PRO 41 2HD PRO 41 -9.799 -3.328 4.423
295 HD3 PRO 41 1HD PRO 41 -9.904 -3.358 2.649
296 H LEU 42 H LEU 42 -4.789 -4.675 4.991
297 HA LEU 42 HA LEU 42 -3.957 -5.347 6.990
298 HB2 LEU 42 2HB LEU 42 -5.909 -4.218 8.007
299 HB3 LEU 42 1HB LEU 42 -6.815 -5.713 7.885
300 HG LEU 42 HG LEU 42 -5.199 -6.787 9.416
301 HD11 LEU 42 1HD1 LEU 42 -3.635 -5.357 10.668
302 HD12 LEU 42 2HD1 LEU 42 -4.037 -4.009 9.607
303 HD13 LEU 42 3HD1 LEU 42 -3.238 -5.437 8.952
304 HD21 LEU 42 3HD2 LEU 42 -7.256 -5.814 10.284
305 HD22 LEU 42 1HD2 LEU 42 -6.454 -4.252 10.457
306 HD23 LEU 42 2HD2 LEU 42 -5.932 -5.624 11.434
307 H SEP 43 H SEP 43 -6.167 -7.279 5.172
308 HA SEP 43 HA SEP 43 -5.835 -9.688 6.639
309 HB2 SEP 43 1HB SEP 43 -6.839 -10.830 4.694
310 HB3 SEP 43 2HB SEP 43 -6.727 -9.329 3.770
311 HA PRO 44 HA PRO 44 -2.875 -11.282 3.331
312 HB2 PRO 44 2HB PRO 44 -2.145 -9.279 1.385
313 HB3 PRO 44 1HB PRO 44 -3.048 -10.774 1.139
314 HG2 PRO 44 2HG PRO 44 -4.146 -8.280 0.903
315 HG3 PRO 44 1HG PRO 44 -5.068 -9.735 1.323
316 HD2 PRO 44 2HD PRO 44 -4.012 -7.577 3.111
317 HD3 PRO 44 1HD PRO 44 -5.580 -8.412 3.159
318 H MET 45 H MET 45 -1.661 -8.000 2.722
319 HA MET 45 HA MET 45 0.405 -7.095 2.982
320 HB2 MET 45 2HB MET 45 -0.387 -7.124 5.377
321 HB3 MET 45 1HB MET 45 0.495 -8.630 5.587
322 HG2 MET 45 2HG MET 45 2.579 -7.496 5.049
323 HG3 MET 45 1HG MET 45 1.702 -5.986 4.806
324 HE1 MET 45 3HE MET 45 2.759 -8.730 7.417
325 HE2 MET 45 1HE MET 45 1.000 -8.704 7.553
326 HE3 MET 45 2HE MET 45 1.997 -8.126 8.888
327 H SEP 46 H SEP 46 0.847 -8.676 1.176
328 HA SEP 46 HA SEP 46 2.400 -11.003 1.935
329 HB2 SEP 46 1HB SEP 46 2.210 -11.617 -0.450
330 HB3 SEP 46 2HB SEP 46 1.379 -10.086 -0.753
331 HA PRO 47 HA PRO 47 5.520 -8.167 -0.914
332 HB2 PRO 47 2HB PRO 47 4.610 -5.893 0.830
333 HB3 PRO 47 1HB PRO 47 5.430 -5.833 -0.739
334 HG2 PRO 47 2HG PRO 47 2.826 -5.507 -0.650
335 HG3 PRO 47 1HG PRO 47 3.537 -6.553 -1.891
336 HD2 PRO 47 2HD PRO 47 2.037 -7.291 0.581
337 HD3 PRO 47 1HD PRO 47 2.100 -8.115 -0.990
338 HA PRO 48 HA PRO 48 8.938 -9.019 1.650
339 HB2 PRO 48 2HB PRO 48 9.382 -6.055 1.425
340 HB3 PRO 48 1HB PRO 48 10.561 -7.372 1.326
341 HG2 PRO 48 2HG PRO 48 9.522 -6.232 -0.885
342 HG3 PRO 48 1HG PRO 48 9.937 -7.952 -0.819
343 HD2 PRO 48 2HD PRO 48 7.313 -6.680 -0.969
344 HD3 PRO 48 1HD PRO 48 7.752 -8.380 -1.225
345 H GLY 49 H GLY 49 7.544 -5.844 2.696
346 HA2 GLY 49 2HA GLY 49 6.659 -6.766 5.155
347 HA3 GLY 49 1HA GLY 49 8.330 -6.293 5.392
348 H TYR 50 H TYR 50 6.356 -5.140 6.801
349 HA TYR 50 HA TYR 50 6.877 -2.391 6.392
350 HB2 TYR 50 2HB TYR 50 5.080 -2.515 4.736
351 HB3 TYR 50 1HB TYR 50 4.028 -3.322 5.899
352 HD1 TYR 50 2HD TYR 50 5.671 -0.092 5.081
353 HD2 TYR 50 1HD TYR 50 2.780 -2.090 7.496
354 HE1 TYR 50 2HE TYR 50 4.802 2.080 5.837
355 HE2 TYR 50 1HE TYR 50 1.895 0.081 8.244
356 HH TYR 50 HH TYR 50 2.743 2.449 8.462
357 H LYS 51 H LYS 51 4.749 -4.799 7.830
358 HA LYS 51 HA LYS 51 3.883 -3.353 10.056
359 HB2 LYS 51 2HB LYS 51 3.380 -5.810 9.009
360 HB3 LYS 51 1HB LYS 51 4.296 -6.243 10.445
361 HG2 LYS 51 2HG LYS 51 1.863 -6.230 10.813
362 HG3 LYS 51 1HG LYS 51 2.721 -5.089 11.856
363 HD2 LYS 51 2HD LYS 51 2.075 -3.240 10.472
364 HD3 LYS 51 1HD LYS 51 1.404 -4.324 9.251
365 HE2 LYS 51 2HE LYS 51 0.360 -4.173 12.070
366 HE3 LYS 51 1HE LYS 51 -0.275 -3.188 10.753
367 HZ1 LYS 51 3HZ LYS 51 -0.105 -6.120 10.508
368 HZ2 LYS 51 1HZ LYS 51 -1.096 -5.044 9.660
369 HZ3 LYS 51 2HZ LYS 51 -1.420 -5.401 11.289
370 H LEU 52 H LEU 52 4.763 -2.900 11.994
371 HA LEU 52 HA LEU 52 7.631 -3.221 12.196
372 HB2 LEU 52 2HB LEU 52 5.712 -1.686 13.953
373 HB3 LEU 52 1HB LEU 52 7.461 -1.592 14.028
374 HG LEU 52 HG LEU 52 7.285 -0.772 11.561
375 HD11 LEU 52 1HD1 LEU 52 4.926 -1.297 11.237
376 HD12 LEU 52 2HD1 LEU 52 5.220 0.434 11.061
377 HD13 LEU 52 3HD1 LEU 52 4.493 -0.191 12.541
378 HD21 LEU 52 3HD2 LEU 52 6.392 0.911 13.894
379 HD22 LEU 52 1HD2 LEU 52 6.936 1.542 12.340
380 HD23 LEU 52 2HD2 LEU 52 8.052 0.636 13.361
381 H VAL 53 H VAL 53 5.465 -5.347 12.914
382 HA VAL 53 HA VAL 53 6.592 -6.024 15.539
383 HB VAL 53 HB VAL 53 4.493 -7.368 15.928
384 HG11 VAL 53 1HG1 VAL 53 4.163 -4.382 15.631
385 HG12 VAL 53 2HG1 VAL 53 4.888 -5.210 17.005
386 HG13 VAL 53 3HG1 VAL 53 3.179 -5.436 16.645
387 HG21 VAL 53 3HG2 VAL 53 3.407 -5.723 13.637
388 HG22 VAL 53 1HG2 VAL 53 2.486 -6.818 14.668
389 HG23 VAL 53 2HG2 VAL 53 3.722 -7.456 13.583
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 0.002 11.586 -16.307
2 H2 GLY 1 2HT GLY 1 0.743 11.621 -17.827
3 H3 GLY 1 3HT GLY 1 -0.862 12.136 -17.659
4 HA2 GLY 1 1HA GLY 1 1.580 13.476 -16.657
5 HA3 GLY 1 2HA GLY 1 0.439 14.078 -17.853
6 H SER 2 H SER 2 0.944 15.760 -15.906
7 HA SER 2 HA SER 2 0.012 17.078 -14.326
8 HB2 SER 2 2HB SER 2 -2.487 15.443 -14.858
9 HB3 SER 2 1HB SER 2 -2.430 16.950 -13.948
10 HG SER 2 HG SER 2 -2.803 17.780 -15.847
11 H SER 3 H SER 3 1.276 14.475 -13.707
12 HA SER 3 HA SER 3 1.879 13.291 -11.879
13 HB2 SER 3 2HB SER 3 1.750 15.548 -10.775
14 HB3 SER 3 1HB SER 3 0.100 15.160 -10.290
15 HG SER 3 HG SER 3 2.533 14.198 -9.319
16 H SER 4 H SER 4 0.476 12.511 -9.611
17 HA SER 4 HA SER 4 -2.071 11.400 -10.449
18 HB2 SER 4 2HB SER 4 0.246 9.622 -9.626
19 HB3 SER 4 1HB SER 4 -1.401 9.085 -9.960
20 HG SER 4 HG SER 4 -0.409 10.560 -12.000
21 H GLY 5 H GLY 5 -3.155 10.316 -8.564
22 HA2 GLY 5 2HA GLY 5 -2.091 11.338 -6.018
23 HA3 GLY 5 1HA GLY 5 -3.743 11.698 -6.496
24 H LEU 6 H LEU 6 -2.825 10.301 -4.149
25 HA LEU 6 HA LEU 6 -4.061 7.681 -4.617
26 HB2 LEU 6 2HB LEU 6 -2.982 7.156 -2.335
27 HB3 LEU 6 1HB LEU 6 -1.974 7.179 -3.766
28 HG LEU 6 HG LEU 6 -1.253 9.497 -3.140
29 HD11 LEU 6 1HD1 LEU 6 -1.594 10.275 -0.880
30 HD12 LEU 6 2HD1 LEU 6 -2.587 8.868 -0.510
31 HD13 LEU 6 3HD1 LEU 6 -3.152 10.066 -1.676
32 HD21 LEU 6 3HD2 LEU 6 -0.716 7.273 -1.185
33 HD22 LEU 6 1HD2 LEU 6 0.258 8.732 -1.362
34 HD23 LEU 6 2HD2 LEU 6 0.142 7.584 -2.694
35 HA PRO 7 HA PRO 7 -7.457 8.735 -1.963
36 HB2 PRO 7 2HB PRO 7 -7.136 6.232 -0.442
37 HB3 PRO 7 1HB PRO 7 -8.483 6.760 -1.455
38 HG2 PRO 7 2HG PRO 7 -6.829 4.788 -2.216
39 HG3 PRO 7 1HG PRO 7 -7.527 5.926 -3.382
40 HD2 PRO 7 2HD PRO 7 -4.782 5.883 -2.189
41 HD3 PRO 7 1HD PRO 7 -5.277 6.213 -3.863
42 HA PRO 8 HA PRO 8 -5.830 10.519 1.765
43 HB2 PRO 8 2HB PRO 8 -8.530 10.036 2.901
44 HB3 PRO 8 1HB PRO 8 -7.622 11.543 2.758
45 HG2 PRO 8 2HG PRO 8 -9.702 11.039 1.165
46 HG3 PRO 8 1HG PRO 8 -8.261 11.875 0.556
47 HD2 PRO 8 2HD PRO 8 -9.107 9.031 0.183
48 HD3 PRO 8 1HD PRO 8 -8.340 10.142 -0.972
49 H GLY 9 H GLY 9 -4.551 9.449 3.095
50 HA2 GLY 9 2HA GLY 9 -4.213 8.122 5.047
51 HA3 GLY 9 1HA GLY 9 -5.627 7.172 4.615
52 H TRP 10 H TRP 10 -3.732 7.776 1.913
53 HA TRP 10 HA TRP 10 -2.365 5.185 2.204
54 HB2 TRP 10 2HB TRP 10 -3.401 6.650 -0.221
55 HB3 TRP 10 1HB TRP 10 -2.186 5.387 -0.366
56 HD1 TRP 10 HD TRP 10 -5.345 5.321 1.880
57 HE1 TRP 10 1HE TRP 10 -6.749 3.278 1.196
58 HE3 TRP 10 3HE TRP 10 -2.549 3.706 -2.082
59 HZ2 TRP 10 2HZ TRP 10 -6.677 1.244 -0.763
60 HZ3 TRP 10 3HZ TRP 10 -3.278 1.701 -3.314
61 HH2 TRP 10 HH TRP 10 -5.300 0.494 -2.663
62 H GLU 11 H GLU 11 -0.191 5.073 2.018
63 HA GLU 11 HA GLU 11 1.263 7.498 1.145
64 HB2 GLU 11 2HB GLU 11 2.263 5.330 3.006
65 HB3 GLU 11 1HB GLU 11 3.144 6.773 2.530
66 HG2 GLU 11 2HG GLU 11 0.644 6.667 4.185
67 HG3 GLU 11 1HG GLU 11 2.278 6.941 4.779
68 H GLU 12 H GLU 12 2.915 7.205 -0.394
69 HA GLU 12 HA GLU 12 3.225 4.440 -1.347
70 HB2 GLU 12 2HB GLU 12 3.981 5.325 -3.486
71 HB3 GLU 12 1HB GLU 12 2.396 5.959 -3.086
72 HG2 GLU 12 2HG GLU 12 4.879 7.529 -2.511
73 HG3 GLU 12 1HG GLU 12 4.145 7.527 -4.112
74 H LYS 13 H LYS 13 5.022 3.444 -0.854
75 HA LYS 13 HA LYS 13 7.527 4.962 -0.812
76 HB2 LYS 13 2HB LYS 13 8.352 3.703 1.137
77 HB3 LYS 13 1HB LYS 13 6.951 4.678 1.549
78 HG2 LYS 13 2HG LYS 13 5.579 2.833 1.807
79 HG3 LYS 13 1HG LYS 13 6.622 1.798 0.830
80 HD2 LYS 13 2HD LYS 13 8.334 1.889 2.594
81 HD3 LYS 13 1HD LYS 13 7.257 2.883 3.574
82 HE2 LYS 13 2HE LYS 13 5.718 1.111 3.853
83 HE3 LYS 13 1HE LYS 13 6.475 0.150 2.582
84 HZ1 LYS 13 3HZ LYS 13 7.061 -0.669 4.775
85 HZ2 LYS 13 1HZ LYS 13 7.706 0.837 5.202
86 HZ3 LYS 13 2HZ LYS 13 8.437 -0.095 3.981
87 H GLN 14 H GLN 14 9.218 2.746 -0.276
88 HA GLN 14 HA GLN 14 8.640 1.138 -2.677
89 HB2 GLN 14 2HB GLN 14 10.973 0.956 -3.096
90 HB3 GLN 14 1HB GLN 14 10.640 2.650 -2.783
91 HG2 GLN 14 2HG GLN 14 11.837 0.706 -0.818
92 HG3 GLN 14 1HG GLN 14 12.722 1.896 -1.762
93 HE21 GLN 14 1HE2 GLN 14 10.606 1.361 0.922
94 HE22 GLN 14 2HE2 GLN 14 10.774 2.945 1.626
95 H ASP 15 H ASP 15 8.945 -1.095 -2.632
96 HA ASP 15 HA ASP 15 8.939 -2.322 -0.002
97 HB2 ASP 15 2HB ASP 15 8.375 -4.355 -1.046
98 HB3 ASP 15 1HB ASP 15 7.512 -3.122 -1.957
99 H ASP 16 H ASP 16 10.313 -4.708 -0.625
100 HA ASP 16 HA ASP 16 12.971 -3.978 0.020
101 HB2 ASP 16 2HB ASP 16 12.028 -6.037 0.858
102 HB3 ASP 16 1HB ASP 16 11.736 -6.622 -0.775
103 H ARG 17 H ARG 17 11.319 -4.719 -2.951
104 HA ARG 17 HA ARG 17 13.821 -5.058 -4.401
105 HB2 ARG 17 2HB ARG 17 10.962 -5.252 -5.359
106 HB3 ARG 17 1HB ARG 17 12.391 -5.653 -6.308
107 HG2 ARG 17 2HG ARG 17 12.961 -7.417 -4.744
108 HG3 ARG 17 1HG ARG 17 11.569 -6.999 -3.746
109 HD2 ARG 17 2HD ARG 17 10.082 -7.558 -5.612
110 HD3 ARG 17 1HD ARG 17 11.481 -8.015 -6.586
111 HE ARG 17 HE ARG 17 11.077 -9.374 -4.028
112 HH11 ARG 17 1HH1 ARG 17 10.934 -9.463 -7.528
113 HH12 ARG 17 2HH1 ARG 17 10.820 -11.195 -7.609
114 HH21 ARG 17 1HH2 ARG 17 10.924 -11.662 -4.122
115 HH22 ARG 17 2HH2 ARG 17 10.837 -12.445 -5.674
116 H GLY 18 H GLY 18 12.087 -2.471 -3.429
117 HA2 GLY 18 2HA GLY 18 12.568 -0.251 -3.955
118 HA3 GLY 18 1HA GLY 18 13.419 -0.806 -5.387
119 H ARG 19 H ARG 19 10.194 -1.939 -4.814
120 HA ARG 19 HA ARG 19 9.261 -0.391 -7.112
121 HB2 ARG 19 2HB ARG 19 7.848 -2.527 -5.516
122 HB3 ARG 19 1HB ARG 19 7.321 -1.854 -7.054
123 HG2 ARG 19 2HG ARG 19 9.181 -2.839 -8.187
124 HG3 ARG 19 1HG ARG 19 9.882 -3.345 -6.648
125 HD2 ARG 19 2HD ARG 19 7.191 -4.265 -7.595
126 HD3 ARG 19 1HD ARG 19 8.679 -5.145 -7.939
127 HE ARG 19 HE ARG 19 8.691 -4.776 -5.221
128 HH11 ARG 19 1HH1 ARG 19 6.426 -6.206 -7.490
129 HH12 ARG 19 2HH1 ARG 19 5.911 -7.444 -6.386
130 HH21 ARG 19 1HH2 ARG 19 8.016 -6.375 -3.770
131 HH22 ARG 19 2HH2 ARG 19 6.797 -7.531 -4.252
132 H SER 20 H SER 20 7.803 1.252 -6.956
133 HA SER 20 HA SER 20 7.230 2.274 -4.327
134 HB2 SER 20 2HB SER 20 6.186 3.216 -7.017
135 HB3 SER 20 1HB SER 20 6.146 4.116 -5.499
136 HG SER 20 HG SER 20 8.637 3.374 -5.859
137 H TYR 21 H TYR 21 5.768 1.249 -3.149
138 HA TYR 21 HA TYR 21 3.288 0.404 -4.457
139 HB2 TYR 21 2HB TYR 21 3.141 -1.490 -2.931
140 HB3 TYR 21 1HB TYR 21 4.657 -1.550 -3.838
141 HD1 TYR 21 1HD TYR 21 5.470 0.861 -1.602
142 HD2 TYR 21 2HD TYR 21 4.440 -3.255 -1.621
143 HE1 TYR 21 1HE TYR 21 6.682 0.550 0.510
144 HE2 TYR 21 2HE TYR 21 5.646 -3.582 0.488
145 HH TYR 21 HH TYR 21 7.329 -2.576 1.824
146 H TYR 22 H TYR 22 1.501 0.089 -2.667
147 HA TYR 22 HA TYR 22 1.534 2.660 -1.236
148 HB2 TYR 22 2HB TYR 22 -0.762 1.210 -2.565
149 HB3 TYR 22 1HB TYR 22 -0.939 2.663 -1.587
150 HD1 TYR 22 1HD TYR 22 0.389 1.305 -4.735
151 HD2 TYR 22 2HD TYR 22 -0.345 4.822 -2.458
152 HE1 TYR 22 1HE TYR 22 0.816 2.674 -6.728
153 HE2 TYR 22 2HE TYR 22 0.084 6.204 -4.447
154 HH TYR 22 HH TYR 22 1.215 6.077 -6.566
155 H VAL 23 H VAL 23 0.699 2.794 0.815
156 HA VAL 23 HA VAL 23 -0.260 0.301 2.028
157 HB VAL 23 HB VAL 23 2.041 0.483 2.716
158 HG11 VAL 23 1HG1 VAL 23 2.419 2.852 2.354
159 HG12 VAL 23 2HG1 VAL 23 2.874 2.408 3.999
160 HG13 VAL 23 3HG1 VAL 23 1.354 3.251 3.700
161 HG21 VAL 23 3HG2 VAL 23 0.497 -0.350 4.379
162 HG22 VAL 23 1HG2 VAL 23 0.159 1.288 4.930
163 HG23 VAL 23 2HG2 VAL 23 1.763 0.594 5.166
164 H ASP 24 H ASP 24 -1.994 0.500 3.269
165 HA ASP 24 HA ASP 24 -3.230 3.126 3.488
166 HB2 ASP 24 2HB ASP 24 -4.718 1.482 2.673
167 HB3 ASP 24 1HB ASP 24 -4.217 0.307 3.885
168 H HIS 25 H HIS 25 -3.542 4.222 5.360
169 HA HIS 25 HA HIS 25 -2.032 3.444 7.677
170 HB2 HIS 25 2HB HIS 25 -3.907 5.744 7.136
171 HB3 HIS 25 1HB HIS 25 -3.132 5.505 8.694
172 HD1 HIS 25 1HD HIS 25 -0.449 5.681 8.676
173 HD2 HIS 25 2HD HIS 25 -2.412 7.053 5.281
174 HE1 HIS 25 1HE HIS 25 1.185 7.178 7.495
175 HE2 HIS 25 2HE HIS 25 -0.058 8.072 5.488
176 H ASN 26 H ASN 26 -5.276 2.979 6.646
177 HA ASN 26 HA ASN 26 -6.441 2.900 9.273
178 HB2 ASN 26 2HB ASN 26 -7.559 2.026 6.601
179 HB3 ASN 26 1HB ASN 26 -8.478 2.115 8.100
180 HD21 ASN 26 1HD2 ASN 26 -6.973 3.907 5.539
181 HD22 ASN 26 2HD2 ASN 26 -7.671 5.445 5.945
182 H SER 27 H SER 27 -5.801 0.452 6.772
183 HA SER 27 HA SER 27 -6.446 -1.653 8.704
184 HB2 SER 27 2HB SER 27 -5.852 -2.127 5.797
185 HB3 SER 27 1HB SER 27 -6.952 -3.004 6.865
186 HG SER 27 HG SER 27 -7.300 -0.457 5.662
187 H LYS 28 H LYS 28 -3.757 -0.015 7.936
188 HA LYS 28 HA LYS 28 -1.516 -0.371 8.106
189 HB2 LYS 28 2HB LYS 28 -2.516 -2.790 9.613
190 HB3 LYS 28 1HB LYS 28 -0.809 -2.412 9.470
191 HG2 LYS 28 2HG LYS 28 -1.526 -1.623 11.575
192 HG3 LYS 28 1HG LYS 28 -1.301 -0.204 10.553
193 HD2 LYS 28 2HD LYS 28 -3.637 0.073 10.278
194 HD3 LYS 28 1HD LYS 28 -3.981 -1.519 10.959
195 HE2 LYS 28 2HE LYS 28 -2.718 0.752 12.486
196 HE3 LYS 28 1HE LYS 28 -4.442 0.370 12.515
197 HZ1 LYS 28 3HZ LYS 28 -3.218 -0.583 14.405
198 HZ2 LYS 28 1HZ LYS 28 -2.273 -1.500 13.335
199 HZ3 LYS 28 2HZ LYS 28 -3.946 -1.778 13.448
200 H THR 29 H THR 29 -3.108 -1.594 5.846
201 HA THR 29 HA THR 29 -1.524 -3.980 5.268
202 HB THR 29 HB THR 29 -4.039 -2.947 3.927
203 HG1 THR 29 1HG THR 29 -3.895 -3.964 6.250
204 HG21 THR 29 3HG2 THR 29 -4.142 -5.172 2.895
205 HG22 THR 29 1HG2 THR 29 -2.584 -5.581 3.620
206 HG23 THR 29 2HG2 THR 29 -2.687 -4.303 2.409
207 H THR 30 H THR 30 0.089 -3.920 3.896
208 HA THR 30 HA THR 30 0.295 -1.670 2.017
209 HB THR 30 HB THR 30 2.495 -3.635 2.613
210 HG1 THR 30 1HG THR 30 1.379 -1.928 4.362
211 HG21 THR 30 3HG2 THR 30 2.774 -2.134 0.703
212 HG22 THR 30 1HG2 THR 30 3.923 -1.748 1.987
213 HG23 THR 30 2HG2 THR 30 2.491 -0.745 1.754
214 H THR 31 H THR 31 -0.208 -2.071 -0.066
215 HA THR 31 HA THR 31 0.403 -4.682 -1.197
216 HB THR 31 HB THR 31 -1.918 -4.911 -0.355
217 HG1 THR 31 1HG THR 31 -2.564 -5.922 -2.149
218 HG21 THR 31 3HG2 THR 31 -2.533 -2.645 -2.256
219 HG22 THR 31 1HG2 THR 31 -2.613 -2.573 -0.497
220 HG23 THR 31 2HG2 THR 31 -3.731 -3.605 -1.390
221 H TRP 32 H TRP 32 0.107 -4.662 -3.609
222 HA TRP 32 HA TRP 32 0.885 -2.015 -4.567
223 HB2 TRP 32 2HB TRP 32 2.177 -4.276 -5.042
224 HB3 TRP 32 1HB TRP 32 0.979 -4.434 -6.323
225 HD1 TRP 32 HD TRP 32 4.300 -3.042 -5.708
226 HE1 TRP 32 1HE TRP 32 4.978 -1.364 -7.536
227 HE3 TRP 32 3HE TRP 32 -0.266 -2.329 -7.917
228 HZ2 TRP 32 2HZ TRP 32 3.760 0.066 -9.626
229 HZ3 TRP 32 3HZ TRP 32 -0.419 -0.778 -9.820
230 HH2 TRP 32 HH TRP 32 1.547 0.394 -10.655
231 H SER 33 H SER 33 -0.980 -0.923 -4.909
232 HA SER 33 HA SER 33 -2.785 -2.045 -6.928
233 HB2 SER 33 2HB SER 33 -3.828 -2.229 -4.674
234 HB3 SER 33 1HB SER 33 -3.685 -0.481 -4.490
235 HG SER 33 HG SER 33 -5.509 -1.961 -5.898
236 H LYS 34 H LYS 34 -3.295 -0.666 -8.545
237 HA LYS 34 HA LYS 34 -2.297 2.086 -8.326
238 HB2 LYS 34 2HB LYS 34 -1.578 0.697 -10.285
239 HB3 LYS 34 1HB LYS 34 -3.257 0.621 -10.795
240 HG2 LYS 34 2HG LYS 34 -2.528 2.342 -12.098
241 HG3 LYS 34 1HG LYS 34 -3.074 3.242 -10.685
242 HD2 LYS 34 2HD LYS 34 -0.221 2.350 -11.097
243 HD3 LYS 34 1HD LYS 34 -0.823 3.928 -11.595
244 HE2 LYS 34 2HE LYS 34 -1.380 4.455 -9.282
245 HE3 LYS 34 1HE LYS 34 -0.838 2.853 -8.771
246 HZ1 LYS 34 3HZ LYS 34 0.859 4.988 -9.971
247 HZ2 LYS 34 1HZ LYS 34 1.393 3.423 -9.602
248 HZ3 LYS 34 2HZ LYS 34 0.884 4.464 -8.361
249 HA PRO 35 HA PRO 35 -6.616 2.873 -7.306
250 HB2 PRO 35 2HB PRO 35 -5.614 5.660 -7.142
251 HB3 PRO 35 1HB PRO 35 -6.459 4.696 -5.926
252 HG2 PRO 35 2HG PRO 35 -3.854 5.226 -5.691
253 HG3 PRO 35 1HG PRO 35 -4.513 3.646 -5.217
254 HD2 PRO 35 2HD PRO 35 -3.036 4.418 -7.710
255 HD3 PRO 35 1HD PRO 35 -2.874 2.955 -6.716
256 H THR 36 H THR 36 -8.172 3.099 -8.755
257 HA THR 36 HA THR 36 -7.995 5.227 -10.760
258 HB THR 36 HB THR 36 -9.008 3.569 -12.423
259 HG1 THR 36 1HG THR 36 -8.232 1.334 -11.867
260 HG21 THR 36 3HG2 THR 36 -6.805 2.643 -13.053
261 HG22 THR 36 1HG2 THR 36 -6.158 3.156 -11.495
262 HG23 THR 36 2HG2 THR 36 -6.719 4.358 -12.661
263 H MET 37 H MET 37 -10.182 5.265 -12.010
264 HA MET 37 HA MET 37 -12.442 5.460 -12.107
265 HB2 MET 37 2HB MET 37 -12.441 3.518 -9.788
266 HB3 MET 37 1HB MET 37 -13.863 4.011 -10.694
267 HG2 MET 37 2HG MET 37 -12.990 2.987 -12.692
268 HG3 MET 37 1HG MET 37 -11.494 2.572 -11.858
269 HE1 MET 37 3HE MET 37 -12.806 -0.001 -9.175
270 HE2 MET 37 1HE MET 37 -12.677 1.745 -8.973
271 HE3 MET 37 2HE MET 37 -11.393 0.853 -9.793
272 H GLN 38 H GLU 38 -14.419 5.998 -10.679
273 HA GLN 38 HA GLU 38 -13.610 7.865 -8.550
274 HB2 GLN 38 2HB GLU 38 -16.206 7.803 -10.115
275 HB3 GLN 38 1HB GLU 38 -15.701 9.035 -8.967
276 HG2 GLN 38 2HG GLU 38 -14.378 8.449 -11.607
277 HG3 GLN 38 1HG GLU 38 -15.483 9.780 -11.276
278 H ASP 39 H ASP 39 -13.803 6.808 -6.628
279 HA ASP 39 HA ASP 39 -15.749 4.656 -6.408
280 HB2 ASP 39 2HB ASP 39 -13.290 4.527 -5.626
281 HB3 ASP 39 1HB ASP 39 -13.825 5.477 -4.241
282 H1 ALA 40 1HT ALA 40 -11.585 -6.528 4.170
283 H2 ALA 40 2HT ALA 40 -10.152 -5.641 4.290
284 H3 ALA 40 3HT ALA 40 -11.577 -5.051 4.993
285 HA ALA 40 HA ALA 40 -11.618 -6.966 6.496
286 HB1 ALA 40 2HB ALA 40 -10.337 -8.499 5.102
287 HB2 ALA 40 3HB ALA 40 -9.587 -8.333 6.689
288 HB3 ALA 40 1HB ALA 40 -8.897 -7.499 5.295
289 HA PRO 41 HA PRO 41 -9.771 -4.137 9.387
290 HB2 PRO 41 2HB PRO 41 -8.780 -6.464 10.937
291 HB3 PRO 41 1HB PRO 41 -9.844 -5.146 11.439
292 HG2 PRO 41 2HG PRO 41 -10.803 -7.600 11.011
293 HG3 PRO 41 1HG PRO 41 -11.732 -6.154 10.575
294 HD2 PRO 41 2HD PRO 41 -10.165 -8.007 8.822
295 HD3 PRO 41 1HD PRO 41 -11.728 -7.218 8.516
296 H LEU 42 H LEU 42 -7.821 -7.047 8.892
297 HA LEU 42 HA LEU 42 -5.570 -5.388 8.030
298 HB2 LEU 42 2HB LEU 42 -5.653 -6.928 10.454
299 HB3 LEU 42 1HB LEU 42 -4.523 -7.685 9.347
300 HG LEU 42 HG LEU 42 -3.476 -5.354 9.096
301 HD11 LEU 42 1HD1 LEU 42 -5.027 -4.922 11.638
302 HD12 LEU 42 2HD1 LEU 42 -5.289 -4.086 10.108
303 HD13 LEU 42 3HD1 LEU 42 -3.781 -3.856 10.991
304 HD21 LEU 42 3HD2 LEU 42 -2.396 -7.197 10.259
305 HD22 LEU 42 1HD2 LEU 42 -3.299 -6.812 11.724
306 HD23 LEU 42 2HD2 LEU 42 -2.111 -5.669 11.096
307 H SEP 43 H SEP 43 -5.250 -6.027 5.978
308 HA SEP 43 HA SEP 43 -6.171 -8.672 5.194
309 HB2 SEP 43 1HB SEP 43 -5.951 -7.829 2.878
310 HB3 SEP 43 2HB SEP 43 -5.300 -6.311 3.508
311 HA PRO 44 HA PRO 44 -2.267 -10.677 4.945
312 HB2 PRO 44 2HB PRO 44 -3.246 -11.738 2.340
313 HB3 PRO 44 1HB PRO 44 -2.643 -12.607 3.755
314 HG2 PRO 44 2HG PRO 44 -5.244 -12.567 3.204
315 HG3 PRO 44 1HG PRO 44 -4.668 -12.457 4.878
316 HD2 PRO 44 2HD PRO 44 -5.709 -10.300 3.087
317 HD3 PRO 44 1HD PRO 44 -5.961 -10.544 4.827
318 H MET 45 H MET 45 -0.401 -9.841 4.329
319 HA MET 45 HA MET 45 -0.355 -8.017 2.063
320 HB2 MET 45 2HB MET 45 1.580 -8.548 4.306
321 HB3 MET 45 1HB MET 45 1.961 -7.497 2.950
322 HG2 MET 45 2HG MET 45 0.042 -6.085 3.520
323 HG3 MET 45 1HG MET 45 -0.292 -7.123 4.907
324 HE1 MET 45 3HE MET 45 3.726 -4.917 4.514
325 HE2 MET 45 1HE MET 45 2.536 -4.960 3.215
326 HE3 MET 45 2HE MET 45 3.329 -6.447 3.730
327 H SEP 46 H SEP 46 1.355 -8.062 0.527
328 HA SEP 46 HA SEP 46 2.406 -10.761 0.077
329 HB2 SEP 46 1HB SEP 46 2.244 -10.321 -2.348
330 HB3 SEP 46 2HB SEP 46 1.502 -8.753 -1.992
331 HA PRO 47 HA PRO 47 6.079 -7.968 -0.819
332 HB2 PRO 47 2HB PRO 47 5.978 -5.325 -0.820
333 HB3 PRO 47 1HB PRO 47 5.389 -6.228 -2.222
334 HG2 PRO 47 2HG PRO 47 3.832 -5.029 0.045
335 HG3 PRO 47 1HG PRO 47 3.532 -4.904 -1.699
336 HD2 PRO 47 2HD PRO 47 2.263 -6.707 -0.048
337 HD3 PRO 47 1HD PRO 47 2.530 -6.996 -1.781
338 HA PRO 48 HA PRO 48 7.209 -7.249 3.467
339 HB2 PRO 48 2HB PRO 48 9.502 -5.793 3.051
340 HB3 PRO 48 1HB PRO 48 9.419 -7.553 2.895
341 HG2 PRO 48 2HG PRO 48 9.184 -5.458 0.748
342 HG3 PRO 48 1HG PRO 48 10.183 -6.928 0.765
343 HD2 PRO 48 2HD PRO 48 7.890 -6.911 -0.554
344 HD3 PRO 48 1HD PRO 48 8.324 -8.322 0.441
345 H GLY 49 H GLY 49 6.166 -5.781 4.732
346 HA2 GLY 49 2HA GLY 49 6.661 -2.969 4.363
347 HA3 GLY 49 1HA GLY 49 5.022 -3.446 3.948
348 H TYR 50 H TYR 50 3.575 -3.294 5.529
349 HA TYR 50 HA TYR 50 4.480 -2.687 8.218
350 HB2 TYR 50 2HB TYR 50 1.823 -2.550 6.817
351 HB3 TYR 50 1HB TYR 50 1.948 -2.342 8.558
352 HD1 TYR 50 2HD TYR 50 4.227 -1.129 5.884
353 HD2 TYR 50 1HD TYR 50 1.429 -0.087 8.914
354 HE1 TYR 50 2HE TYR 50 4.765 1.245 5.556
355 HE2 TYR 50 1HE TYR 50 1.963 2.291 8.600
356 HH TYR 50 HH TYR 50 3.808 3.662 7.738
357 H LYS 51 H LYS 51 4.694 -5.453 7.223
358 HA LYS 51 HA LYS 51 2.647 -6.947 8.631
359 HB2 LYS 51 2HB LYS 51 3.756 -7.616 6.396
360 HB3 LYS 51 1HB LYS 51 5.143 -8.082 7.371
361 HG2 LYS 51 2HG LYS 51 4.051 -10.085 7.179
362 HG3 LYS 51 1HG LYS 51 3.374 -9.487 8.691
363 HD2 LYS 51 2HD LYS 51 2.018 -8.930 6.073
364 HD3 LYS 51 1HD LYS 51 1.776 -10.462 6.907
365 HE2 LYS 51 2HE LYS 51 1.279 -7.759 8.144
366 HE3 LYS 51 1HE LYS 51 0.031 -8.738 7.381
367 HZ1 LYS 51 3HZ LYS 51 1.571 -9.353 9.834
368 HZ2 LYS 51 1HZ LYS 51 0.668 -10.528 9.014
369 HZ3 LYS 51 2HZ LYS 51 -0.096 -9.167 9.679
370 H LEU 52 H LEU 52 2.824 -7.653 10.636
371 HA LEU 52 HA LEU 52 3.670 -8.494 12.569
372 HB2 LEU 52 2HB LEU 52 6.385 -8.066 11.325
373 HB3 LEU 52 1HB LEU 52 6.116 -8.787 12.900
374 HG LEU 52 HG LEU 52 5.145 -9.930 10.274
375 HD11 LEU 52 1HD1 LEU 52 6.833 -11.662 10.671
376 HD12 LEU 52 2HD1 LEU 52 7.388 -10.790 12.099
377 HD13 LEU 52 3HD1 LEU 52 7.568 -10.068 10.500
378 HD21 LEU 52 3HD2 LEU 52 4.551 -11.890 11.609
379 HD22 LEU 52 1HD2 LEU 52 3.666 -10.462 12.147
380 HD23 LEU 52 2HD2 LEU 52 5.047 -11.044 13.076
381 H VAL 53 H VAL 53 3.712 -7.500 14.431
382 HA VAL 53 HA VAL 53 3.747 -5.881 16.000
383 HB VAL 53 HB VAL 53 6.084 -4.642 14.542
384 HG11 VAL 53 1HG1 VAL 53 5.144 -3.311 16.356
385 HG12 VAL 53 2HG1 VAL 53 6.749 -3.904 16.776
386 HG13 VAL 53 3HG1 VAL 53 5.316 -4.673 17.461
387 HG21 VAL 53 3HG2 VAL 53 6.530 -7.022 14.817
388 HG22 VAL 53 1HG2 VAL 53 6.131 -6.914 16.530
389 HG23 VAL 53 2HG2 VAL 53 7.547 -6.073 15.899
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 0.140 5.745 -14.594
2 H2 GLY 1 2HT GLY 1 -1.036 6.030 -13.408
3 H3 GLY 1 3HT GLY 1 0.175 4.870 -13.142
4 HA2 GLY 1 1HA GLY 1 1.863 6.594 -13.160
5 HA3 GLY 1 2HA GLY 1 0.602 7.793 -13.411
6 H SER 2 H SER 2 2.053 8.330 -11.322
7 HA SER 2 HA SER 2 1.235 6.965 -8.934
8 HB2 SER 2 2HB SER 2 2.680 9.607 -9.244
9 HB3 SER 2 1HB SER 2 2.571 8.647 -7.767
10 HG SER 2 HG SER 2 4.210 7.550 -8.449
11 H SER 3 H SER 3 0.471 9.993 -10.532
12 HA SER 3 HA SER 3 -1.126 11.547 -10.332
13 HB2 SER 3 2HB SER 3 -3.377 10.883 -9.754
14 HB3 SER 3 1HB SER 3 -2.621 9.594 -10.690
15 HG SER 3 HG SER 3 -2.074 8.877 -8.322
16 H SER 4 H SER 4 -1.916 13.164 -9.021
17 HA SER 4 HA SER 4 -0.697 13.299 -6.403
18 HB2 SER 4 2HB SER 4 -1.722 15.650 -6.481
19 HB3 SER 4 1HB SER 4 -0.498 15.277 -7.694
20 HG SER 4 HG SER 4 -3.273 15.606 -7.975
21 H GLY 5 H GLY 5 -3.277 11.719 -7.288
22 HA2 GLY 5 2HA GLY 5 -5.019 12.707 -5.125
23 HA3 GLY 5 1HA GLY 5 -5.587 11.828 -6.539
24 H LEU 6 H LEU 6 -4.332 11.594 -3.372
25 HA LEU 6 HA LEU 6 -4.161 8.670 -3.549
26 HB2 LEU 6 2HB LEU 6 -3.230 10.579 -1.397
27 HB3 LEU 6 1HB LEU 6 -3.104 8.834 -1.299
28 HG LEU 6 HG LEU 6 -1.714 10.555 -3.354
29 HD11 LEU 6 1HD1 LEU 6 -0.612 9.142 -0.930
30 HD12 LEU 6 2HD1 LEU 6 -0.867 10.881 -1.063
31 HD13 LEU 6 3HD1 LEU 6 0.311 10.080 -2.105
32 HD21 LEU 6 3HD2 LEU 6 -2.202 8.306 -4.169
33 HD22 LEU 6 1HD2 LEU 6 -1.470 7.618 -2.717
34 HD23 LEU 6 2HD2 LEU 6 -0.475 8.506 -3.869
35 HA PRO 7 HA PRO 7 -8.109 8.313 -1.431
36 HB2 PRO 7 2HB PRO 7 -6.885 5.764 -0.495
37 HB3 PRO 7 1HB PRO 7 -8.445 6.040 -1.282
38 HG2 PRO 7 2HG PRO 7 -6.425 4.954 -2.641
39 HG3 PRO 7 1HG PRO 7 -7.500 6.141 -3.405
40 HD2 PRO 7 2HD PRO 7 -4.733 6.506 -2.333
41 HD3 PRO 7 1HD PRO 7 -5.472 7.173 -3.800
42 HA PRO 8 HA PRO 8 -7.296 9.883 2.581
43 HB2 PRO 8 2HB PRO 8 -9.440 8.042 3.526
44 HB3 PRO 8 1HB PRO 8 -9.270 9.785 3.762
45 HG2 PRO 8 2HG PRO 8 -11.016 8.825 2.005
46 HG3 PRO 8 1HG PRO 8 -10.066 10.278 1.633
47 HD2 PRO 8 2HD PRO 8 -9.725 7.479 0.648
48 HD3 PRO 8 1HD PRO 8 -9.482 9.015 -0.208
49 H GLY 9 H GLY 9 -5.434 9.233 3.480
50 HA2 GLY 9 2HA GLY 9 -4.516 8.169 5.415
51 HA3 GLY 9 1HA GLY 9 -5.530 6.776 5.088
52 H TRP 10 H TRP 10 -4.206 7.782 2.195
53 HA TRP 10 HA TRP 10 -2.238 5.632 2.304
54 HB2 TRP 10 2HB TRP 10 -3.386 7.245 0.028
55 HB3 TRP 10 1HB TRP 10 -2.054 6.119 -0.190
56 HD1 TRP 10 HD TRP 10 -5.273 5.489 1.882
57 HE1 TRP 10 1HE TRP 10 -6.465 3.444 0.874
58 HE3 TRP 10 3HE TRP 10 -2.204 4.641 -2.120
59 HZ2 TRP 10 2HZ TRP 10 -6.146 1.705 -1.320
60 HZ3 TRP 10 3HZ TRP 10 -2.715 2.761 -3.618
61 HH2 TRP 10 HH TRP 10 -4.649 1.326 -3.229
62 H GLU 11 H GLU 11 -0.088 5.946 2.403
63 HA GLU 11 HA GLU 11 0.968 8.510 1.432
64 HB2 GLU 11 2HB GLU 11 1.646 7.078 3.965
65 HB3 GLU 11 1HB GLU 11 2.877 8.042 3.155
66 HG2 GLU 11 2HG GLU 11 1.167 9.921 3.149
67 HG3 GLU 11 1HG GLU 11 0.265 8.937 4.305
68 H GLU 12 H GLU 12 3.554 8.182 1.234
69 HA GLU 12 HA GLU 12 3.668 6.027 -0.763
70 HB2 GLU 12 2HB GLU 12 3.707 8.286 -1.704
71 HB3 GLU 12 1HB GLU 12 5.078 8.705 -0.690
72 HG2 GLU 12 2HG GLU 12 5.524 6.367 -2.388
73 HG3 GLU 12 1HG GLU 12 5.214 7.859 -3.273
74 H LYS 13 H LYS 13 5.303 4.607 -0.785
75 HA LYS 13 HA LYS 13 7.750 4.991 0.641
76 HB2 LYS 13 2HB LYS 13 5.680 4.203 2.243
77 HB3 LYS 13 1HB LYS 13 6.338 2.647 1.756
78 HG2 LYS 13 2HG LYS 13 8.308 4.648 2.656
79 HG3 LYS 13 1HG LYS 13 7.186 4.051 3.879
80 HD2 LYS 13 2HD LYS 13 8.794 2.243 2.080
81 HD3 LYS 13 1HD LYS 13 9.352 2.764 3.667
82 HE2 LYS 13 2HE LYS 13 7.401 1.743 4.703
83 HE3 LYS 13 1HE LYS 13 6.790 1.271 3.119
84 HZ1 LYS 13 3HZ LYS 13 8.690 -0.158 2.824
85 HZ2 LYS 13 1HZ LYS 13 7.911 -0.549 4.274
86 HZ3 LYS 13 2HZ LYS 13 9.352 0.340 4.304
87 H GLN 14 H GLN 14 8.615 2.377 0.880
88 HA GLN 14 HA GLN 14 8.036 1.121 -1.706
89 HB2 GLN 14 2HB GLN 14 10.571 0.562 -1.729
90 HB3 GLN 14 1HB GLN 14 10.044 2.157 -2.256
91 HG2 GLN 14 2HG GLN 14 10.971 3.207 -0.474
92 HG3 GLN 14 1HG GLN 14 10.714 1.836 0.607
93 HE21 GLN 14 1HE2 GLN 14 11.908 -0.119 -1.025
94 HE22 GLN 14 2HE2 GLN 14 13.617 0.156 -1.049
95 H ASP 15 H ASP 15 8.328 -1.144 -1.773
96 HA ASP 15 HA ASP 15 8.138 -2.445 0.803
97 HB2 ASP 15 2HB ASP 15 7.506 -4.391 -0.329
98 HB3 ASP 15 1HB ASP 15 6.858 -3.111 -1.342
99 H ASP 16 H ASP 16 9.496 -4.852 0.323
100 HA ASP 16 HA ASP 16 12.217 -3.910 0.738
101 HB2 ASP 16 2HB ASP 16 10.861 -6.525 1.371
102 HB3 ASP 16 1HB ASP 16 12.585 -6.255 1.604
103 H ARG 17 H ARG 17 10.457 -5.135 -1.817
104 HA ARG 17 HA ARG 17 12.761 -6.405 -3.068
105 HB2 ARG 17 2HB ARG 17 9.931 -5.896 -3.967
106 HB3 ARG 17 1HB ARG 17 11.169 -6.414 -5.102
107 HG2 ARG 17 2HG ARG 17 11.544 -8.437 -3.789
108 HG3 ARG 17 1HG ARG 17 10.317 -7.921 -2.631
109 HD2 ARG 17 2HD ARG 17 9.474 -9.583 -4.258
110 HD3 ARG 17 1HD ARG 17 8.604 -8.051 -4.329
111 HE ARG 17 HE ARG 17 10.631 -7.890 -6.209
112 HH11 ARG 17 1HH1 ARG 17 7.899 -9.997 -5.630
113 HH12 ARG 17 2HH1 ARG 17 7.560 -10.242 -7.321
114 HH21 ARG 17 1HH2 ARG 17 10.200 -8.196 -8.435
115 HH22 ARG 17 2HH2 ARG 17 8.886 -9.230 -8.919
116 H GLY 18 H GLY 18 10.898 -3.414 -3.239
117 HA2 GLY 18 2HA GLY 18 12.466 -1.453 -3.553
118 HA3 GLY 18 1HA GLY 18 13.023 -2.307 -4.983
119 H ARG 19 H ARG 19 9.651 -2.348 -4.109
120 HA ARG 19 HA ARG 19 9.054 -0.718 -6.474
121 HB2 ARG 19 2HB ARG 19 7.505 -2.778 -4.929
122 HB3 ARG 19 1HB ARG 19 6.679 -1.641 -5.985
123 HG2 ARG 19 2HG ARG 19 7.926 -2.426 -7.878
124 HG3 ARG 19 1HG ARG 19 8.878 -3.501 -6.852
125 HD2 ARG 19 2HD ARG 19 6.894 -4.785 -6.325
126 HD3 ARG 19 1HD ARG 19 5.888 -3.665 -7.244
127 HE ARG 19 HE ARG 19 8.029 -5.140 -8.592
128 HH11 ARG 19 1HH1 ARG 19 4.612 -4.520 -8.143
129 HH12 ARG 19 2HH1 ARG 19 4.142 -5.309 -9.620
130 HH21 ARG 19 1HH2 ARG 19 7.419 -6.154 -10.534
131 HH22 ARG 19 2HH2 ARG 19 5.750 -6.206 -10.999
132 H SER 20 H SER 20 8.270 1.261 -6.285
133 HA SER 20 HA SER 20 7.755 2.446 -3.728
134 HB2 SER 20 2HB SER 20 7.051 3.618 -6.423
135 HB3 SER 20 1HB SER 20 7.471 4.468 -4.936
136 HG SER 20 HG SER 20 9.604 3.717 -5.154
137 H TYR 21 H TYR 21 5.950 1.967 -2.659
138 HA TYR 21 HA TYR 21 3.452 1.739 -4.188
139 HB2 TYR 21 2HB TYR 21 2.680 0.005 -2.629
140 HB3 TYR 21 1HB TYR 21 4.134 -0.499 -3.493
141 HD1 TYR 21 1HD TYR 21 4.864 1.799 -0.811
142 HD2 TYR 21 2HD TYR 21 4.035 -2.281 -1.686
143 HE1 TYR 21 1HE TYR 21 5.850 1.139 1.343
144 HE2 TYR 21 2HE TYR 21 5.022 -2.948 0.452
145 HH TYR 21 HH TYR 21 6.331 -2.252 2.164
146 H TYR 22 H TYR 22 1.659 1.539 -2.149
147 HA TYR 22 HA TYR 22 2.153 3.947 -0.546
148 HB2 TYR 22 2HB TYR 22 -0.406 3.238 -1.998
149 HB3 TYR 22 1HB TYR 22 -0.243 4.556 -0.841
150 HD1 TYR 22 2HD TYR 22 1.653 6.302 -1.385
151 HD2 TYR 22 1HD TYR 22 -0.070 3.672 -4.251
152 HE1 TYR 22 2HE TYR 22 2.366 7.810 -3.192
153 HE2 TYR 22 1HE TYR 22 0.639 5.175 -6.062
154 HH TYR 22 HH TYR 22 2.887 7.593 -5.679
155 H VAL 23 H VAL 23 1.073 4.046 1.447
156 HA VAL 23 HA VAL 23 0.397 1.376 2.489
157 HB VAL 23 HB VAL 23 2.602 1.910 3.213
158 HG11 VAL 23 1HG1 VAL 23 2.542 4.320 2.815
159 HG12 VAL 23 2HG1 VAL 23 3.174 3.949 4.422
160 HG13 VAL 23 3HG1 VAL 23 1.520 4.533 4.238
161 HG21 VAL 23 3HG2 VAL 23 1.159 0.886 4.910
162 HG22 VAL 23 1HG2 VAL 23 0.698 2.488 5.484
163 HG23 VAL 23 2HG2 VAL 23 2.364 1.940 5.646
164 H ASP 24 H ASP 24 -1.299 1.191 3.869
165 HA ASP 24 HA ASP 24 -3.132 3.447 4.028
166 HB2 ASP 24 2HB ASP 24 -3.633 0.737 5.232
167 HB3 ASP 24 1HB ASP 24 -4.802 1.894 4.625
168 H HIS 25 H HIS 25 -3.173 4.741 5.807
169 HA HIS 25 HA HIS 25 -1.999 3.850 8.301
170 HB2 HIS 25 2HB HIS 25 -3.473 6.370 7.537
171 HB3 HIS 25 1HB HIS 25 -2.877 6.063 9.166
172 HD1 HIS 25 1HD HIS 25 -0.124 5.518 9.172
173 HD2 HIS 25 2HD HIS 25 -1.718 7.697 6.010
174 HE1 HIS 25 1HE HIS 25 1.818 6.685 8.097
175 HE2 HIS 25 2HE HIS 25 0.776 8.239 6.423
176 H ASN 26 H ASN 26 -4.986 3.597 6.763
177 HA ASN 26 HA ASN 26 -6.780 3.790 8.940
178 HB2 ASN 26 2HB ASN 26 -7.113 2.134 6.426
179 HB3 ASN 26 1HB ASN 26 -8.394 2.750 7.465
180 HD21 ASN 26 1HD2 ASN 26 -9.141 4.769 7.163
181 HD22 ASN 26 2HD2 ASN 26 -8.569 5.831 5.922
182 H SER 27 H SER 27 -5.437 0.944 7.289
183 HA SER 27 HA SER 27 -6.246 -0.691 9.586
184 HB2 SER 27 2HB SER 27 -5.815 -2.547 7.781
185 HB3 SER 27 1HB SER 27 -7.298 -1.587 7.713
186 HG SER 27 HG SER 27 -5.134 -1.640 5.992
187 H LYS 28 H LYS 28 -3.655 0.919 8.679
188 HA LYS 28 HA LYS 28 -1.417 0.808 9.012
189 HB2 LYS 28 2HB LYS 28 -2.288 -1.406 10.870
190 HB3 LYS 28 1HB LYS 28 -0.617 -0.881 10.738
191 HG2 LYS 28 2HG LYS 28 -1.539 0.200 12.637
192 HG3 LYS 28 1HG LYS 28 -1.399 1.425 11.376
193 HD2 LYS 28 2HD LYS 28 -3.775 1.164 10.858
194 HD3 LYS 28 1HD LYS 28 -3.915 -0.073 12.108
195 HE2 LYS 28 2HE LYS 28 -3.313 1.563 13.810
196 HE3 LYS 28 1HE LYS 28 -3.123 2.802 12.568
197 HZ1 LYS 28 3HZ LYS 28 -5.433 2.722 12.096
198 HZ2 LYS 28 1HZ LYS 28 -5.287 2.842 13.780
199 HZ3 LYS 28 2HZ LYS 28 -5.666 1.352 13.064
200 H THR 29 H THR 29 -2.658 -0.670 6.862
201 HA THR 29 HA THR 29 -0.801 -2.899 6.477
202 HB THR 29 HB THR 29 -2.346 -3.425 4.527
203 HG1 THR 29 1HG THR 29 -3.392 -1.426 4.303
204 HG21 THR 29 3HG2 THR 29 -2.487 -4.657 6.632
205 HG22 THR 29 1HG2 THR 29 -4.092 -4.412 5.949
206 HG23 THR 29 2HG2 THR 29 -3.547 -3.417 7.297
207 H THR 30 H THR 30 -0.322 -3.119 3.973
208 HA THR 30 HA THR 30 0.035 -0.493 2.766
209 HB THR 30 HB THR 30 2.181 -0.997 3.884
210 HG1 THR 30 1HG THR 30 1.819 -0.410 1.293
211 HG21 THR 30 3HG2 THR 30 3.601 -2.824 3.004
212 HG22 THR 30 1HG2 THR 30 2.219 -3.416 2.081
213 HG23 THR 30 2HG2 THR 30 2.165 -3.412 3.846
214 H THR 31 H THR 31 -0.180 -0.502 0.566
215 HA THR 31 HA THR 31 -0.837 -3.120 -0.601
216 HB THR 31 HB THR 31 -2.819 -1.632 -0.165
217 HG1 THR 31 1HG THR 31 -3.539 -1.793 -2.476
218 HG21 THR 31 3HG2 THR 31 -3.166 0.299 -1.638
219 HG22 THR 31 1HG2 THR 31 -1.549 0.073 -2.307
220 HG23 THR 31 2HG2 THR 31 -1.748 0.516 -0.612
221 H TRP 32 H TRP 32 -1.049 -2.617 -3.147
222 HA TRP 32 HA TRP 32 1.626 -2.134 -4.021
223 HB2 TRP 32 2HB TRP 32 0.252 -2.336 -6.325
224 HB3 TRP 32 1HB TRP 32 0.716 -3.731 -5.357
225 HD1 TRP 32 HD TRP 32 -1.178 -5.116 -4.206
226 HE1 TRP 32 1HE TRP 32 -3.758 -5.086 -4.376
227 HE3 TRP 32 3HE TRP 32 -1.774 -0.652 -6.602
228 HZ2 TRP 32 2HZ TRP 32 -5.769 -3.363 -5.383
229 HZ3 TRP 32 3HZ TRP 32 -4.043 0.142 -7.129
230 HH2 TRP 32 HH TRP 32 -6.005 -1.203 -6.529
231 H SER 33 H SER 33 1.870 -0.755 -6.106
232 HA SER 33 HA SER 33 1.588 1.942 -5.441
233 HB2 SER 33 2HB SER 33 3.195 0.831 -7.130
234 HB3 SER 33 1HB SER 33 1.859 0.966 -8.272
235 HG SER 33 HG SER 33 3.519 2.903 -7.259
236 H LYS 34 H LYS 34 0.353 3.591 -6.585
237 HA LYS 34 HA LYS 34 -2.218 3.535 -5.957
238 HB2 LYS 34 2HB LYS 34 -1.213 5.573 -6.691
239 HB3 LYS 34 1HB LYS 34 -1.029 4.959 -8.332
240 HG2 LYS 34 2HG LYS 34 -2.936 6.064 -8.721
241 HG3 LYS 34 1HG LYS 34 -3.695 4.671 -7.974
242 HD2 LYS 34 2HD LYS 34 -3.558 5.834 -5.784
243 HD3 LYS 34 1HD LYS 34 -2.963 7.266 -6.625
244 HE2 LYS 34 2HE LYS 34 -5.615 5.915 -7.113
245 HE3 LYS 34 1HE LYS 34 -5.384 7.387 -6.175
246 HZ1 LYS 34 3HZ LYS 34 -6.047 8.088 -8.286
247 HZ2 LYS 34 1HZ LYS 34 -5.034 6.997 -9.094
248 HZ3 LYS 34 2HZ LYS 34 -4.371 8.329 -8.282
249 HA PRO 35 HA PRO 35 -4.614 0.770 -8.528
250 HB2 PRO 35 2HB PRO 35 -6.940 2.306 -8.136
251 HB3 PRO 35 1HB PRO 35 -6.436 0.923 -7.162
252 HG2 PRO 35 2HG PRO 35 -6.098 3.835 -6.637
253 HG3 PRO 35 1HG PRO 35 -6.403 2.511 -5.498
254 HD2 PRO 35 2HD PRO 35 -3.977 3.614 -5.728
255 HD3 PRO 35 1HD PRO 35 -4.173 1.868 -5.458
256 H THR 36 H THR 36 -4.597 0.883 -10.659
257 HA THR 36 HA THR 36 -5.346 3.391 -11.979
258 HB THR 36 HB THR 36 -3.505 2.609 -13.720
259 HG1 THR 36 1HG THR 36 -2.224 1.850 -11.312
260 HG21 THR 36 3HG2 THR 36 -1.878 4.094 -12.597
261 HG22 THR 36 1HG2 THR 36 -2.897 4.075 -11.152
262 HG23 THR 36 2HG2 THR 36 -3.502 4.780 -12.651
263 H MET 37 H MET 37 -7.286 1.924 -11.874
264 HA MET 37 HA MET 37 -7.339 0.071 -14.165
265 HB2 MET 37 2HB MET 37 -7.520 -0.922 -11.807
266 HB3 MET 37 1HB MET 37 -9.074 -0.116 -11.696
267 HG2 MET 37 2HG MET 37 -9.866 -1.400 -13.627
268 HG3 MET 37 1HG MET 37 -8.313 -2.233 -13.700
269 HE1 MET 37 3HE MET 37 -7.387 -3.752 -11.612
270 HE2 MET 37 1HE MET 37 -8.345 -4.071 -10.168
271 HE3 MET 37 2HE MET 37 -7.745 -2.445 -10.486
272 H GLN 38 H GLU 38 -9.961 -0.243 -14.615
273 HA GLN 38 HA GLU 38 -10.873 2.408 -15.295
274 HB2 GLN 38 2HB GLU 38 -11.138 0.477 -16.844
275 HB3 GLN 38 1HB GLU 38 -12.256 -0.247 -15.696
276 HG2 GLN 38 2HG GLU 38 -13.931 1.215 -16.187
277 HG3 GLN 38 1HG GLU 38 -12.822 2.497 -16.675
278 H ASP 39 H ASP 39 -11.174 3.323 -13.289
279 HA ASP 39 HA ASP 39 -13.709 2.811 -12.021
280 HB2 ASP 39 2HB ASP 39 -12.181 1.168 -10.920
281 HB3 ASP 39 1HB ASP 39 -11.160 2.506 -10.409
282 H1 ALA 40 1HT ALA 40 -9.970 -10.838 9.413
283 H2 ALA 40 2HT ALA 40 -8.418 -10.313 8.955
284 H3 ALA 40 3HT ALA 40 -9.779 -9.824 8.065
285 HA ALA 40 HA ALA 40 -10.626 -8.612 9.971
286 HB1 ALA 40 2HB ALA 40 -9.551 -10.005 11.692
287 HB2 ALA 40 3HB ALA 40 -9.231 -8.287 11.931
288 HB3 ALA 40 1HB ALA 40 -7.985 -9.334 11.244
289 HA PRO 41 HA PRO 41 -8.558 -5.356 7.734
290 HB2 PRO 41 2HB PRO 41 -9.615 -3.250 9.126
291 HB3 PRO 41 1HB PRO 41 -10.483 -4.118 7.852
292 HG2 PRO 41 2HG PRO 41 -10.672 -4.420 10.825
293 HG3 PRO 41 1HG PRO 41 -11.971 -4.420 9.618
294 HD2 PRO 41 2HD PRO 41 -11.027 -6.699 10.712
295 HD3 PRO 41 1HD PRO 41 -11.590 -6.625 9.029
296 H LEU 42 H LEU 42 -6.489 -5.883 8.481
297 HA LEU 42 HA LEU 42 -5.019 -4.066 9.959
298 HB2 LEU 42 2HB LEU 42 -6.513 -5.255 11.790
299 HB3 LEU 42 1HB LEU 42 -5.358 -6.557 11.609
300 HG LEU 42 HG LEU 42 -4.898 -5.054 13.538
301 HD11 LEU 42 1HD1 LEU 42 -2.506 -4.802 13.144
302 HD12 LEU 42 2HD1 LEU 42 -2.758 -5.067 11.419
303 HD13 LEU 42 3HD1 LEU 42 -3.095 -6.362 12.567
304 HD21 LEU 42 3HD2 LEU 42 -4.305 -3.004 11.410
305 HD22 LEU 42 1HD2 LEU 42 -4.007 -2.824 13.140
306 HD23 LEU 42 2HD2 LEU 42 -5.657 -2.965 12.539
307 H SEP 43 H SEP 43 -5.612 -7.332 8.986
308 HA SEP 43 HA SEP 43 -2.886 -8.160 8.847
309 HB2 SEP 43 1HB SEP 43 -3.869 -10.166 7.772
310 HB3 SEP 43 2HB SEP 43 -5.435 -9.338 7.694
311 HA PRO 44 HA PRO 44 -1.534 -6.245 5.254
312 HB2 PRO 44 2HB PRO 44 0.064 -8.112 4.088
313 HB3 PRO 44 1HB PRO 44 0.487 -7.253 5.572
314 HG2 PRO 44 2HG PRO 44 -0.689 -9.990 5.244
315 HG3 PRO 44 1HG PRO 44 0.629 -9.456 6.303
316 HD2 PRO 44 2HD PRO 44 -1.862 -9.818 7.233
317 HD3 PRO 44 1HD PRO 44 -0.815 -8.521 7.848
318 H MET 45 H MET 45 -1.081 -6.492 2.855
319 HA MET 45 HA MET 45 -3.442 -7.689 1.594
320 HB2 MET 45 2HB MET 45 -1.624 -5.493 0.570
321 HB3 MET 45 1HB MET 45 -3.060 -6.103 -0.248
322 HG2 MET 45 2HG MET 45 -2.998 -4.702 2.418
323 HG3 MET 45 1HG MET 45 -3.482 -3.991 0.880
324 HE1 MET 45 3HE MET 45 -6.778 -5.898 0.051
325 HE2 MET 45 1HE MET 45 -5.161 -6.363 -0.473
326 HE3 MET 45 2HE MET 45 -5.626 -4.665 -0.457
327 H SEP 46 H SEP 46 -0.307 -6.771 0.198
328 HA SEP 46 HA SEP 46 0.265 -9.571 -0.341
329 HB2 SEP 46 1HB SEP 46 0.750 -9.161 -2.732
330 HB3 SEP 46 2HB SEP 46 0.129 -7.517 -2.559
331 HA PRO 47 HA PRO 47 4.318 -7.274 -1.130
332 HB2 PRO 47 2HB PRO 47 4.482 -4.571 -1.054
333 HB3 PRO 47 1HB PRO 47 4.053 -5.469 -2.513
334 HG2 PRO 47 2HG PRO 47 2.337 -3.945 -0.645
335 HG3 PRO 47 1HG PRO 47 2.169 -4.170 -2.390
336 HD2 PRO 47 2HD PRO 47 0.722 -5.520 -0.439
337 HD3 PRO 47 1HD PRO 47 0.903 -6.032 -2.128
338 HA PRO 48 HA PRO 48 5.353 -6.897 3.138
339 HB2 PRO 48 2HB PRO 48 8.015 -6.959 2.940
340 HB3 PRO 48 1HB PRO 48 7.034 -8.361 2.484
341 HG2 PRO 48 2HG PRO 48 8.205 -6.224 0.725
342 HG3 PRO 48 1HG PRO 48 8.280 -7.986 0.522
343 HD2 PRO 48 2HD PRO 48 6.491 -6.426 -0.780
344 HD3 PRO 48 1HD PRO 48 6.124 -8.095 -0.291
345 H GLY 49 H GLY 49 7.414 -5.693 4.330
346 HA2 GLY 49 2HA GLY 49 8.667 -3.628 4.406
347 HA3 GLY 49 1HA GLY 49 7.397 -2.876 3.452
348 H TYR 50 H TYR 50 5.260 -2.671 4.494
349 HA TYR 50 HA TYR 50 5.597 -1.730 7.212
350 HB2 TYR 50 2HB TYR 50 4.158 -0.705 5.234
351 HB3 TYR 50 1HB TYR 50 2.925 -1.793 5.861
352 HD1 TYR 50 2HD TYR 50 4.973 1.185 6.607
353 HD2 TYR 50 1HD TYR 50 1.867 -1.380 7.976
354 HE1 TYR 50 2HE TYR 50 4.383 2.829 8.337
355 HE2 TYR 50 1HE TYR 50 1.271 0.257 9.707
356 HH TYR 50 HH TYR 50 2.428 3.444 9.713
357 H LYS 51 H LYS 51 4.465 -4.504 5.592
358 HA LYS 51 HA LYS 51 3.780 -5.783 8.113
359 HB2 LYS 51 2HB LYS 51 1.893 -5.463 5.790
360 HB3 LYS 51 1HB LYS 51 1.781 -6.867 6.841
361 HG2 LYS 51 2HG LYS 51 1.599 -4.011 7.781
362 HG3 LYS 51 1HG LYS 51 0.216 -5.057 7.451
363 HD2 LYS 51 2HD LYS 51 1.107 -6.654 9.143
364 HD3 LYS 51 1HD LYS 51 2.361 -5.476 9.530
365 HE2 LYS 51 2HE LYS 51 -0.600 -4.965 9.742
366 HE3 LYS 51 1HE LYS 51 0.433 -5.432 11.090
367 HZ1 LYS 51 3HZ LYS 51 0.200 -3.100 11.168
368 HZ2 LYS 51 1HZ LYS 51 0.542 -2.921 9.515
369 HZ3 LYS 51 2HZ LYS 51 1.766 -3.394 10.587
370 H LEU 52 H LEU 52 3.457 -8.226 7.669
371 HA LEU 52 HA LEU 52 5.639 -9.004 5.884
372 HB2 LEU 52 2HB LEU 52 4.321 -10.519 8.133
373 HB3 LEU 52 1HB LEU 52 5.638 -11.128 7.148
374 HG LEU 52 HG LEU 52 5.776 -8.738 8.989
375 HD11 LEU 52 1HD1 LEU 52 5.648 -10.836 10.202
376 HD12 LEU 52 2HD1 LEU 52 7.268 -10.148 10.331
377 HD13 LEU 52 3HD1 LEU 52 6.964 -11.496 9.233
378 HD21 LEU 52 3HD2 LEU 52 7.213 -8.498 7.014
379 HD22 LEU 52 1HD2 LEU 52 7.948 -10.063 7.363
380 HD23 LEU 52 2HD2 LEU 52 8.155 -8.717 8.489
381 H VAL 53 H VAL 53 5.421 -11.168 4.825
382 HA VAL 53 HA VAL 53 2.962 -11.126 3.299
383 HB VAL 53 HB VAL 53 4.160 -12.751 1.805
384 HG11 VAL 53 1HG1 VAL 53 5.644 -11.066 0.849
385 HG12 VAL 53 2HG1 VAL 53 5.551 -10.123 2.338
386 HG13 VAL 53 3HG1 VAL 53 4.110 -10.354 1.340
387 HG21 VAL 53 3HG2 VAL 53 6.513 -12.107 3.581
388 HG22 VAL 53 1HG2 VAL 53 6.568 -13.023 2.071
389 HG23 VAL 53 2HG2 VAL 53 5.704 -13.671 3.468
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -2.765 12.516 -4.510
2 H2 GLY 1 2HT GLY 1 -2.436 13.458 -3.141
3 H3 GLY 1 3HT GLY 1 -2.923 11.844 -2.962
4 HA2 GLY 1 1HA GLY 1 -0.574 12.003 -2.580
5 HA3 GLY 1 2HA GLY 1 -0.894 11.091 -4.047
6 H SER 2 H SER 2 -0.971 14.589 -3.516
7 HA SER 2 HA SER 2 0.122 16.322 -4.443
8 HB2 SER 2 2HB SER 2 2.428 14.387 -4.760
9 HB3 SER 2 1HB SER 2 2.525 16.148 -4.723
10 HG SER 2 HG SER 2 2.976 15.567 -2.673
11 H SER 3 H SER 3 2.003 14.166 -6.466
12 HA SER 3 HA SER 3 0.867 15.459 -8.816
13 HB2 SER 3 2HB SER 3 2.826 14.179 -9.931
14 HB3 SER 3 1HB SER 3 3.221 15.523 -8.856
15 HG SER 3 HG SER 3 4.502 13.920 -8.138
16 H SER 4 H SER 4 0.771 12.456 -7.148
17 HA SER 4 HA SER 4 -0.409 11.132 -9.487
18 HB2 SER 4 2HB SER 4 1.496 9.971 -8.419
19 HB3 SER 4 1HB SER 4 0.589 9.902 -6.909
20 HG SER 4 HG SER 4 0.543 8.135 -8.807
21 H GLY 5 H GLY 5 -2.400 10.068 -9.309
22 HA2 GLY 5 2HA GLY 5 -4.235 11.380 -7.495
23 HA3 GLY 5 1HA GLY 5 -4.664 10.287 -8.805
24 H LEU 6 H LEU 6 -3.029 10.270 -5.667
25 HA LEU 6 HA LEU 6 -3.689 7.506 -5.221
26 HB2 LEU 6 2HB LEU 6 -2.513 9.558 -3.342
27 HB3 LEU 6 1HB LEU 6 -2.645 7.843 -3.008
28 HG LEU 6 HG LEU 6 -0.928 9.114 -5.142
29 HD11 LEU 6 1HD1 LEU 6 -0.062 9.426 -2.901
30 HD12 LEU 6 2HD1 LEU 6 0.914 8.246 -3.775
31 HD13 LEU 6 3HD1 LEU 6 -0.251 7.704 -2.564
32 HD21 LEU 6 3HD2 LEU 6 -1.283 6.216 -4.392
33 HD22 LEU 6 1HD2 LEU 6 -0.077 6.848 -5.513
34 HD23 LEU 6 2HD2 LEU 6 -1.794 6.975 -5.899
35 HA PRO 7 HA PRO 7 -7.664 8.277 -3.339
36 HB2 PRO 7 2HB PRO 7 -7.320 5.569 -2.225
37 HB3 PRO 7 1HB PRO 7 -8.573 6.175 -3.312
38 HG2 PRO 7 2HG PRO 7 -6.671 4.475 -4.152
39 HG3 PRO 7 1HG PRO 7 -7.314 5.754 -5.201
40 HD2 PRO 7 2HD PRO 7 -4.752 5.681 -3.650
41 HD3 PRO 7 1HD PRO 7 -5.046 6.262 -5.303
42 HA PRO 8 HA PRO 8 -6.948 9.473 0.840
43 HB2 PRO 8 2HB PRO 8 -9.356 7.913 1.642
44 HB3 PRO 8 1HB PRO 8 -8.980 9.620 1.898
45 HG2 PRO 8 2HG PRO 8 -10.754 8.876 0.063
46 HG3 PRO 8 1HG PRO 8 -9.642 10.222 -0.234
47 HD2 PRO 8 2HD PRO 8 -9.548 7.423 -1.276
48 HD3 PRO 8 1HD PRO 8 -9.124 8.942 -2.088
49 H GLY 9 H GLY 9 -5.233 8.556 1.768
50 HA2 GLY 9 2HA GLY 9 -4.536 7.307 3.678
51 HA3 GLY 9 1HA GLY 9 -5.720 6.076 3.271
52 H TRP 10 H TRP 10 -4.265 6.913 0.421
53 HA TRP 10 HA TRP 10 -2.572 4.528 0.580
54 HB2 TRP 10 2HB TRP 10 -3.628 6.089 -1.780
55 HB3 TRP 10 1HB TRP 10 -2.545 4.709 -1.925
56 HD1 TRP 10 HD TRP 10 -5.966 5.384 -0.210
57 HE1 TRP 10 1HE TRP 10 -7.472 3.342 -0.625
58 HE3 TRP 10 3HE TRP 10 -2.689 2.488 -2.852
59 HZ2 TRP 10 2HZ TRP 10 -7.287 0.826 -1.894
60 HZ3 TRP 10 3HZ TRP 10 -3.434 0.272 -3.635
61 HH2 TRP 10 HH TRP 10 -5.679 -0.536 -3.163
62 H GLU 11 H GLU 11 -0.498 4.751 0.894
63 HA GLU 11 HA GLU 11 0.886 7.139 -0.159
64 HB2 GLU 11 2HB GLU 11 1.061 7.007 2.244
65 HB3 GLU 11 1HB GLU 11 1.517 5.315 2.168
66 HG2 GLU 11 2HG GLU 11 3.488 6.462 2.651
67 HG3 GLU 11 1HG GLU 11 3.597 6.085 0.935
68 H GLU 12 H GLU 12 2.691 6.822 -1.487
69 HA GLU 12 HA GLU 12 3.051 4.063 -2.424
70 HB2 GLU 12 2HB GLU 12 2.584 5.803 -4.131
71 HB3 GLU 12 1HB GLU 12 4.078 6.618 -3.681
72 HG2 GLU 12 2HG GLU 12 5.295 4.493 -4.272
73 HG3 GLU 12 1HG GLU 12 3.773 3.895 -4.924
74 H LYS 13 H LYS 13 4.721 2.927 -1.714
75 HA LYS 13 HA LYS 13 7.240 4.310 -1.192
76 HB2 LYS 13 2HB LYS 13 5.834 2.519 0.779
77 HB3 LYS 13 1HB LYS 13 7.556 2.866 0.877
78 HG2 LYS 13 2HG LYS 13 6.955 5.299 0.952
79 HG3 LYS 13 1HG LYS 13 5.270 4.806 1.117
80 HD2 LYS 13 2HD LYS 13 5.787 3.619 3.154
81 HD3 LYS 13 1HD LYS 13 7.499 4.002 2.977
82 HE2 LYS 13 2HE LYS 13 5.240 5.940 3.442
83 HE3 LYS 13 1HE LYS 13 6.511 5.501 4.580
84 HZ1 LYS 13 3HZ LYS 13 6.998 7.615 3.583
85 HZ2 LYS 13 1HZ LYS 13 6.872 6.973 2.019
86 HZ3 LYS 13 2HZ LYS 13 8.137 6.482 3.040
87 H GLN 14 H GLN 14 8.661 2.053 -0.247
88 HA GLN 14 HA GLN 14 8.434 0.209 -2.506
89 HB2 GLN 14 2HB GLN 14 10.968 0.405 -2.766
90 HB3 GLN 14 1HB GLN 14 9.998 1.742 -3.369
91 HG2 GLN 14 2HG GLN 14 11.397 3.044 -2.229
92 HG3 GLN 14 1HG GLN 14 10.494 2.533 -0.808
93 HE21 GLN 14 1HE2 GLN 14 11.391 0.958 0.560
94 HE22 GLN 14 2HE2 GLN 14 13.085 0.607 0.534
95 H ASP 15 H ASP 15 9.173 -1.875 -2.113
96 HA ASP 15 HA ASP 15 9.658 -2.530 0.661
97 HB2 ASP 15 2HB ASP 15 9.635 -4.859 -0.010
98 HB3 ASP 15 1HB ASP 15 8.264 -4.026 -0.724
99 H ASP 16 H ASP 16 11.556 -4.549 0.578
100 HA ASP 16 HA ASP 16 13.884 -2.944 0.764
101 HB2 ASP 16 2HB ASP 16 13.353 -4.954 2.175
102 HB3 ASP 16 1HB ASP 16 13.775 -5.958 0.792
103 H ARG 17 H ARG 17 12.573 -4.860 -1.802
104 HA ARG 17 HA ARG 17 15.070 -5.187 -3.232
105 HB2 ARG 17 2HB ARG 17 12.226 -5.534 -4.201
106 HB3 ARG 17 1HB ARG 17 13.677 -6.083 -5.030
107 HG2 ARG 17 2HG ARG 17 14.072 -7.773 -3.473
108 HG3 ARG 17 1HG ARG 17 13.007 -7.036 -2.272
109 HD2 ARG 17 2HD ARG 17 12.178 -8.331 -4.866
110 HD3 ARG 17 1HD ARG 17 11.925 -8.970 -3.239
111 HE ARG 17 HE ARG 17 10.760 -6.448 -3.293
112 HH11 ARG 17 1HH1 ARG 17 10.289 -9.557 -4.859
113 HH12 ARG 17 2HH1 ARG 17 8.594 -9.301 -5.129
114 HH21 ARG 17 1HH2 ARG 17 8.545 -6.099 -3.682
115 HH22 ARG 17 2HH2 ARG 17 7.603 -7.335 -4.489
116 H GLY 18 H GLY 18 12.765 -2.721 -2.826
117 HA2 GLY 18 2HA GLY 18 13.021 -0.528 -3.632
118 HA3 GLY 18 1HA GLY 18 14.051 -1.139 -4.918
119 H ARG 19 H ARG 19 10.978 -2.594 -4.166
120 HA ARG 19 HA ARG 19 9.968 -1.748 -6.787
121 HB2 ARG 19 2HB ARG 19 10.067 -4.222 -5.747
122 HB3 ARG 19 1HB ARG 19 8.507 -3.726 -5.108
123 HG2 ARG 19 2HG ARG 19 8.126 -4.886 -7.148
124 HG3 ARG 19 1HG ARG 19 7.809 -3.175 -7.440
125 HD2 ARG 19 2HD ARG 19 9.551 -2.958 -8.868
126 HD3 ARG 19 1HD ARG 19 10.574 -4.059 -7.944
127 HE ARG 19 HE ARG 19 8.760 -5.727 -9.014
128 HH11 ARG 19 1HH1 ARG 19 10.717 -3.201 -10.481
129 HH12 ARG 19 2HH1 ARG 19 10.871 -4.047 -11.993
130 HH21 ARG 19 1HH2 ARG 19 8.979 -6.806 -10.993
131 HH22 ARG 19 2HH2 ARG 19 9.884 -6.082 -12.285
132 H SER 20 H SER 20 8.252 -0.394 -6.962
133 HA SER 20 HA SER 20 7.370 0.999 -4.639
134 HB2 SER 20 2HB SER 20 6.285 1.172 -7.455
135 HB3 SER 20 1HB SER 20 6.077 2.364 -6.172
136 HG SER 20 HG SER 20 7.826 3.201 -6.997
137 H TYR 21 H TYR 21 5.920 0.241 -3.268
138 HA TYR 21 HA TYR 21 3.565 -1.125 -4.380
139 HB2 TYR 21 2HB TYR 21 3.260 -2.220 -2.194
140 HB3 TYR 21 1HB TYR 21 4.796 -2.654 -2.927
141 HD1 TYR 21 1HD TYR 21 3.536 0.049 -0.642
142 HD2 TYR 21 2HD TYR 21 6.523 -2.866 -1.432
143 HE1 TYR 21 1HE TYR 21 4.684 0.675 1.436
144 HE2 TYR 21 2HE TYR 21 7.682 -2.242 0.642
145 HH TYR 21 HH TYR 21 7.855 -0.354 2.156
146 H TYR 22 H TYR 22 1.658 -0.887 -2.702
147 HA TYR 22 HA TYR 22 1.577 1.937 -1.912
148 HB2 TYR 22 2HB TYR 22 -0.692 0.122 -2.773
149 HB3 TYR 22 1HB TYR 22 -0.915 1.732 -2.096
150 HD1 TYR 22 2HD TYR 22 -0.335 3.709 -3.383
151 HD2 TYR 22 1HD TYR 22 0.140 -0.188 -5.019
152 HE1 TYR 22 2HE TYR 22 -0.113 4.687 -5.624
153 HE2 TYR 22 1HE TYR 22 0.364 0.781 -7.267
154 HH TYR 22 HH TYR 22 0.833 4.100 -7.804
155 H VAL 23 H VAL 23 0.959 2.458 0.137
156 HA VAL 23 HA VAL 23 0.308 0.188 1.895
157 HB VAL 23 HB VAL 23 2.399 0.930 2.666
158 HG11 VAL 23 1HG1 VAL 23 2.987 3.250 3.115
159 HG12 VAL 23 2HG1 VAL 23 1.404 3.770 2.537
160 HG13 VAL 23 3HG1 VAL 23 2.548 3.025 1.421
161 HG21 VAL 23 3HG2 VAL 23 0.849 0.618 4.477
162 HG22 VAL 23 1HG2 VAL 23 0.277 2.278 4.320
163 HG23 VAL 23 2HG2 VAL 23 1.927 1.962 4.858
164 H ASP 24 H ASP 24 -1.702 0.172 2.456
165 HA ASP 24 HA ASP 24 -3.271 2.607 2.314
166 HB2 ASP 24 2HB ASP 24 -5.197 1.031 2.713
167 HB3 ASP 24 1HB ASP 24 -4.286 0.730 1.240
168 H HIS 25 H HIS 25 -3.263 3.865 4.007
169 HA HIS 25 HA HIS 25 -2.630 2.901 6.635
170 HB2 HIS 25 2HB HIS 25 -3.561 5.627 5.718
171 HB3 HIS 25 1HB HIS 25 -3.039 5.249 7.352
172 HD1 HIS 25 1HD HIS 25 -0.439 4.506 7.577
173 HD2 HIS 25 2HD HIS 25 -1.571 6.328 4.008
174 HE1 HIS 25 1HE HIS 25 1.691 5.304 6.505
175 HE2 HIS 25 2HE HIS 25 0.941 6.664 4.525
176 H ASN 26 H ASN 26 -5.456 2.951 4.859
177 HA ASN 26 HA ASN 26 -7.274 3.643 6.952
178 HB2 ASN 26 2HB ASN 26 -9.000 2.565 5.376
179 HB3 ASN 26 1HB ASN 26 -8.177 4.015 4.828
180 HD21 ASN 26 1HD2 ASN 26 -8.657 3.514 2.687
181 HD22 ASN 26 2HD2 ASN 26 -7.814 2.266 1.835
182 H SER 27 H SER 27 -6.433 0.533 5.417
183 HA SER 27 HA SER 27 -7.711 -0.908 7.590
184 HB2 SER 27 2HB SER 27 -6.079 -2.039 5.312
185 HB3 SER 27 1HB SER 27 -7.229 -2.904 6.327
186 HG SER 27 HG SER 27 -7.656 -1.276 4.147
187 H LYS 28 H LYS 28 -4.650 0.318 6.828
188 HA LYS 28 HA LYS 28 -2.698 0.427 7.991
189 HB2 LYS 28 2HB LYS 28 -3.833 -1.656 9.879
190 HB3 LYS 28 1HB LYS 28 -2.368 -0.722 10.124
191 HG2 LYS 28 2HG LYS 28 -5.147 0.426 9.988
192 HG3 LYS 28 1HG LYS 28 -4.257 0.083 11.471
193 HD2 LYS 28 2HD LYS 28 -2.540 1.682 10.828
194 HD3 LYS 28 1HD LYS 28 -3.383 1.999 9.308
195 HE2 LYS 28 2HE LYS 28 -4.467 2.514 12.079
196 HE3 LYS 28 1HE LYS 28 -3.834 3.737 10.975
197 HZ1 LYS 28 3HZ LYS 28 -6.207 3.734 10.832
198 HZ2 LYS 28 1HZ LYS 28 -6.253 2.053 10.577
199 HZ3 LYS 28 2HZ LYS 28 -5.597 3.079 9.399
200 H THR 29 H THR 29 -3.328 -1.252 5.775
201 HA THR 29 HA THR 29 -1.488 -3.516 6.184
202 HB THR 29 HB THR 29 -2.891 -3.853 3.750
203 HG1 THR 29 1HG THR 29 -4.509 -2.450 4.404
204 HG21 THR 29 3HG2 THR 29 -2.151 -5.644 5.210
205 HG22 THR 29 1HG2 THR 29 -3.879 -5.773 4.896
206 HG23 THR 29 2HG2 THR 29 -3.312 -5.138 6.440
207 H THR 30 H THR 30 -0.344 -4.147 4.070
208 HA THR 30 HA THR 30 0.073 -1.904 2.271
209 HB THR 30 HB THR 30 1.826 -1.607 3.953
210 HG1 THR 30 1HG THR 30 2.189 -1.392 1.540
211 HG21 THR 30 3HG2 THR 30 2.015 -3.948 4.699
212 HG22 THR 30 1HG2 THR 30 3.585 -3.257 4.288
213 HG23 THR 30 2HG2 THR 30 2.786 -4.362 3.170
214 H THR 31 H THR 31 -0.032 -2.602 0.244
215 HA THR 31 HA THR 31 1.431 -4.952 -0.561
216 HB THR 31 HB THR 31 -0.599 -6.096 0.009
217 HG1 THR 31 1HG THR 31 -0.235 -7.070 -1.847
218 HG21 THR 31 3HG2 THR 31 -2.089 -4.048 -1.642
219 HG22 THR 31 1HG2 THR 31 -2.087 -4.138 0.120
220 HG23 THR 31 2HG2 THR 31 -2.796 -5.445 -0.829
221 H TRP 32 H TRP 32 1.652 -5.014 -2.947
222 HA TRP 32 HA TRP 32 1.237 -2.423 -4.115
223 HB2 TRP 32 2HB TRP 32 2.497 -3.103 -5.922
224 HB3 TRP 32 1HB TRP 32 3.102 -4.232 -4.722
225 HD1 TRP 32 HD TRP 32 2.757 -6.781 -5.195
226 HE1 TRP 32 1HE TRP 32 1.774 -8.119 -7.166
227 HE3 TRP 32 3HE TRP 32 0.588 -2.939 -7.764
228 HZ2 TRP 32 2HZ TRP 32 0.277 -7.596 -9.517
229 HZ3 TRP 32 3HZ TRP 32 -0.610 -3.428 -9.865
230 HH2 TRP 32 HH TRP 32 -0.752 -5.705 -10.722
231 H SER 33 H SER 33 -0.770 -1.838 -4.397
232 HA SER 33 HA SER 33 -2.585 -3.721 -5.696
233 HB2 SER 33 2HB SER 33 -4.389 -2.641 -4.196
234 HB3 SER 33 1HB SER 33 -3.317 -3.838 -3.468
235 HG SER 33 HG SER 33 -3.229 -2.190 -2.070
236 H LYS 34 H LYS 34 -3.641 -2.909 -7.360
237 HA LYS 34 HA LYS 34 -3.026 -0.327 -8.323
238 HB2 LYS 34 2HB LYS 34 -4.902 -0.828 -9.973
239 HB3 LYS 34 1HB LYS 34 -3.549 -1.949 -9.954
240 HG2 LYS 34 2HG LYS 34 -4.911 -3.641 -9.550
241 HG3 LYS 34 1HG LYS 34 -5.529 -2.837 -8.105
242 HD2 LYS 34 2HD LYS 34 -6.502 -2.411 -10.925
243 HD3 LYS 34 1HD LYS 34 -7.332 -3.347 -9.678
244 HE2 LYS 34 2HE LYS 34 -7.165 -1.141 -8.293
245 HE3 LYS 34 1HE LYS 34 -6.907 -0.391 -9.870
246 HZ1 LYS 34 3HZ LYS 34 -9.003 -1.258 -10.642
247 HZ2 LYS 34 1HZ LYS 34 -9.249 -0.388 -9.208
248 HZ3 LYS 34 2HZ LYS 34 -9.250 -2.082 -9.179
249 HA PRO 35 HA PRO 35 -5.929 2.001 -5.977
250 HB2 PRO 35 2HB PRO 35 -5.448 4.230 -7.775
251 HB3 PRO 35 1HB PRO 35 -4.869 3.997 -6.123
252 HG2 PRO 35 2HG PRO 35 -3.208 3.950 -8.256
253 HG3 PRO 35 1HG PRO 35 -2.933 2.967 -6.807
254 HD2 PRO 35 2HD PRO 35 -4.179 2.148 -9.412
255 HD3 PRO 35 1HD PRO 35 -2.915 1.321 -8.465
256 H THR 36 H THR 36 -7.856 3.364 -6.223
257 HA THR 36 HA THR 36 -9.435 2.588 -8.559
258 HB THR 36 HB THR 36 -11.376 3.411 -7.215
259 HG1 THR 36 1HG THR 36 -10.971 4.565 -5.512
260 HG21 THR 36 3HG2 THR 36 -9.651 1.322 -5.879
261 HG22 THR 36 1HG2 THR 36 -10.799 1.042 -7.189
262 HG23 THR 36 2HG2 THR 36 -11.376 1.554 -5.603
263 H MET 37 H MET 37 -11.075 4.382 -9.228
264 HA MET 37 HA MET 37 -9.706 6.986 -9.228
265 HB2 MET 37 2HB MET 37 -11.085 5.635 -11.558
266 HB3 MET 37 1HB MET 37 -10.545 7.311 -11.560
267 HG2 MET 37 2HG MET 37 -8.246 6.582 -11.271
268 HG3 MET 37 1HG MET 37 -8.778 4.900 -11.221
269 HE1 MET 37 3HE MET 37 -10.149 4.354 -14.843
270 HE2 MET 37 1HE MET 37 -11.078 4.888 -13.442
271 HE3 MET 37 2HE MET 37 -9.860 3.627 -13.261
272 H GLN 38 H GLU 38 -10.976 8.014 -7.784
273 HA GLN 38 HA GLU 38 -13.842 7.647 -7.803
274 HB2 GLN 38 2HB GLU 38 -12.256 9.601 -6.126
275 HB3 GLN 38 1HB GLU 38 -13.887 9.021 -5.832
276 HG2 GLN 38 2HG GLU 38 -11.326 7.472 -5.598
277 HG3 GLN 38 1HG GLU 38 -12.430 7.931 -4.307
278 H ASP 39 H ASP 39 -14.543 8.508 -9.726
279 HA ASP 39 HA ASP 39 -14.426 11.445 -9.862
280 HB2 ASP 39 2HB ASP 39 -13.169 10.454 -11.730
281 HB3 ASP 39 1HB ASP 39 -14.585 9.513 -12.188
282 H1 ALA 40 1HT ALA 40 -13.707 -4.062 8.663
283 H2 ALA 40 2HT ALA 40 -13.461 -2.405 8.915
284 H3 ALA 40 3HT ALA 40 -12.894 -3.530 10.053
285 HA ALA 40 HA ALA 40 -11.920 -3.148 7.289
286 HB1 ALA 40 2HB ALA 40 -10.504 -2.787 9.925
287 HB2 ALA 40 3HB ALA 40 -11.152 -1.475 8.941
288 HB3 ALA 40 1HB ALA 40 -9.837 -2.476 8.323
289 HA PRO 41 HA PRO 41 -11.130 -7.528 7.788
290 HB2 PRO 41 2HB PRO 41 -10.195 -7.480 5.042
291 HB3 PRO 41 1HB PRO 41 -11.659 -8.214 5.699
292 HG2 PRO 41 2HG PRO 41 -11.689 -6.045 4.058
293 HG3 PRO 41 1HG PRO 41 -12.931 -6.348 5.287
294 HD2 PRO 41 2HD PRO 41 -10.570 -4.506 5.394
295 HD3 PRO 41 1HD PRO 41 -12.239 -4.235 5.945
296 H LEU 42 H LEU 42 -8.795 -5.319 6.259
297 HA LEU 42 HA LEU 42 -6.542 -5.358 5.992
298 HB2 LEU 42 2HB LEU 42 -6.697 -6.943 8.557
299 HB3 LEU 42 1HB LEU 42 -5.182 -6.476 7.811
300 HG LEU 42 HG LEU 42 -6.102 -4.066 7.983
301 HD11 LEU 42 1HD1 LEU 42 -7.640 -3.662 9.797
302 HD12 LEU 42 2HD1 LEU 42 -7.784 -5.393 10.103
303 HD13 LEU 42 3HD1 LEU 42 -8.394 -4.707 8.595
304 HD21 LEU 42 3HD2 LEU 42 -4.196 -5.003 9.236
305 HD22 LEU 42 1HD2 LEU 42 -5.315 -5.524 10.499
306 HD23 LEU 42 2HD2 LEU 42 -5.109 -3.804 10.149
307 H SEP 43 H SEP 43 -6.378 -6.472 4.098
308 HA SEP 43 HA SEP 43 -6.591 -9.355 4.073
309 HB2 SEP 43 1HB SEP 43 -6.445 -9.074 1.613
310 HB3 SEP 43 2HB SEP 43 -6.140 -7.346 1.846
311 HA PRO 44 HA PRO 44 -2.527 -11.121 3.692
312 HB2 PRO 44 2HB PRO 44 -2.694 -10.635 0.738
313 HB3 PRO 44 1HB PRO 44 -2.093 -12.049 1.609
314 HG2 PRO 44 2HG PRO 44 -4.587 -11.926 0.555
315 HG3 PRO 44 1HG PRO 44 -4.190 -12.870 2.002
316 HD2 PRO 44 2HD PRO 44 -5.831 -10.480 1.768
317 HD3 PRO 44 1HD PRO 44 -5.618 -11.549 3.163
318 H MET 45 H MET 45 -0.795 -10.099 4.328
319 HA MET 45 HA MET 45 -0.027 -7.549 3.092
320 HB2 MET 45 2HB MET 45 1.075 -8.776 5.621
321 HB3 MET 45 1HB MET 45 1.192 -7.101 5.095
322 HG2 MET 45 2HG MET 45 -1.164 -6.774 5.432
323 HG3 MET 45 1HG MET 45 -1.376 -8.477 5.824
324 HE1 MET 45 3HE MET 45 -2.053 -6.948 9.294
325 HE2 MET 45 1HE MET 45 -2.592 -8.069 8.044
326 HE3 MET 45 2HE MET 45 -2.574 -6.335 7.725
327 H SEP 46 H SEP 46 1.418 -7.758 1.511
328 HA SEP 46 HA SEP 46 2.864 -10.279 1.404
329 HB2 SEP 46 1HB SEP 46 3.016 -9.856 -1.020
330 HB3 SEP 46 2HB SEP 46 2.180 -8.314 -0.781
331 HA PRO 47 HA PRO 47 6.561 -7.500 0.496
332 HB2 PRO 47 2HB PRO 47 6.431 -4.860 0.205
333 HB3 PRO 47 1HB PRO 47 5.908 -5.939 -1.099
334 HG2 PRO 47 2HG PRO 47 4.258 -4.486 0.940
335 HG3 PRO 47 1HG PRO 47 3.995 -4.638 -0.804
336 HD2 PRO 47 2HD PRO 47 2.740 -6.202 1.085
337 HD3 PRO 47 1HD PRO 47 3.018 -6.715 -0.593
338 HA PRO 48 HA PRO 48 7.489 -6.270 4.708
339 HB2 PRO 48 2HB PRO 48 10.109 -5.661 4.352
340 HB3 PRO 48 1HB PRO 48 9.521 -7.329 4.419
341 HG2 PRO 48 2HG PRO 48 10.177 -5.648 2.023
342 HG3 PRO 48 1HG PRO 48 10.580 -7.346 2.342
343 HD2 PRO 48 2HD PRO 48 8.516 -6.620 0.752
344 HD3 PRO 48 1HD PRO 48 8.473 -8.085 1.756
345 H GLY 49 H GLY 49 6.509 -4.350 5.207
346 HA2 GLY 49 2HA GLY 49 7.984 -1.929 4.679
347 HA3 GLY 49 1HA GLY 49 6.448 -2.016 3.836
348 H TYR 50 H TYR 50 4.498 -2.224 5.143
349 HA TYR 50 HA TYR 50 4.572 -0.213 7.155
350 HB2 TYR 50 2HB TYR 50 2.702 -0.833 5.443
351 HB3 TYR 50 1HB TYR 50 2.164 -1.949 6.697
352 HD1 TYR 50 2HD TYR 50 3.435 1.568 6.681
353 HD2 TYR 50 1HD TYR 50 0.346 -1.114 7.847
354 HE1 TYR 50 2HE TYR 50 2.234 3.427 7.745
355 HE2 TYR 50 1HE TYR 50 -0.865 0.740 8.916
356 HH TYR 50 HH TYR 50 -0.278 3.015 9.890
357 H LYS 51 H LYS 51 4.738 -3.637 7.269
358 HA LYS 51 HA LYS 51 4.620 -3.496 10.198
359 HB2 LYS 51 2HB LYS 51 3.290 -5.458 8.368
360 HB3 LYS 51 1HB LYS 51 3.782 -5.962 9.981
361 HG2 LYS 51 2HG LYS 51 2.385 -4.230 10.962
362 HG3 LYS 51 1HG LYS 51 1.924 -3.674 9.351
363 HD2 LYS 51 2HD LYS 51 0.884 -5.813 8.883
364 HD3 LYS 51 1HD LYS 51 1.396 -6.429 10.454
365 HE2 LYS 51 2HE LYS 51 -0.334 -3.997 10.184
366 HE3 LYS 51 1HE LYS 51 -1.013 -5.621 10.225
367 HZ1 LYS 51 3HZ LYS 51 0.668 -4.400 12.349
368 HZ2 LYS 51 1HZ LYS 51 0.002 -5.958 12.385
369 HZ3 LYS 51 2HZ LYS 51 -1.015 -4.604 12.408
370 H LEU 52 H LEU 52 6.309 -4.323 11.213
371 HA LEU 52 HA LEU 52 8.362 -5.681 9.645
372 HB2 LEU 52 2HB LEU 52 8.967 -3.741 11.085
373 HB3 LEU 52 1HB LEU 52 8.451 -4.652 12.487
374 HG LEU 52 HG LEU 52 10.229 -6.332 11.990
375 HD11 LEU 52 1HD1 LEU 52 11.098 -4.295 9.942
376 HD12 LEU 52 2HD1 LEU 52 10.463 -5.905 9.603
377 HD13 LEU 52 3HD1 LEU 52 12.007 -5.724 10.434
378 HD21 LEU 52 3HD2 LEU 52 12.052 -4.972 12.837
379 HD22 LEU 52 1HD2 LEU 52 10.541 -4.518 13.625
380 HD23 LEU 52 2HD2 LEU 52 11.210 -3.499 12.350
381 H VAL 53 H VAL 53 7.845 -7.779 9.460
382 HA VAL 53 HA VAL 53 6.608 -9.226 11.613
383 HB VAL 53 HB VAL 53 5.900 -9.793 9.390
384 HG11 VAL 53 1HG1 VAL 53 7.914 -9.178 8.158
385 HG12 VAL 53 2HG1 VAL 53 7.358 -10.796 7.726
386 HG13 VAL 53 3HG1 VAL 53 8.742 -10.594 8.800
387 HG21 VAL 53 3HG2 VAL 53 7.557 -12.023 10.552
388 HG22 VAL 53 1HG2 VAL 53 6.242 -12.215 9.393
389 HG23 VAL 53 2HG2 VAL 53 5.908 -11.599 11.011
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -0.182 23.319 -7.373
2 H2 GLY 1 2HT GLY 1 -1.680 22.687 -7.858
3 H3 GLY 1 3HT GLY 1 -0.480 23.013 -9.012
4 HA2 GLY 1 1HA GLY 1 -0.625 20.647 -8.584
5 HA3 GLY 1 2HA GLY 1 0.936 21.301 -8.107
6 H SER 2 H SER 2 -0.505 18.905 -7.191
7 HA SER 2 HA SER 2 -0.289 19.442 -4.320
8 HB2 SER 2 2HB SER 2 -2.698 19.617 -4.900
9 HB3 SER 2 1HB SER 2 -2.644 17.977 -5.541
10 HG SER 2 HG SER 2 -1.727 18.378 -2.933
11 H SER 3 H SER 3 -0.023 17.367 -7.044
12 HA SER 3 HA SER 3 0.931 15.356 -7.417
13 HB2 SER 3 2HB SER 3 2.750 16.623 -6.050
14 HB3 SER 3 1HB SER 3 2.310 15.526 -4.745
15 HG SER 3 HG SER 3 3.614 15.019 -7.154
16 H SER 4 H SER 4 -1.184 14.413 -7.194
17 HA SER 4 HA SER 4 -1.337 12.600 -4.896
18 HB2 SER 4 2HB SER 4 -3.864 12.938 -4.989
19 HB3 SER 4 1HB SER 4 -2.929 14.281 -4.335
20 HG SER 4 HG SER 4 -4.097 14.029 -6.904
21 H GLY 5 H GLY 5 -0.560 10.912 -6.185
22 HA2 GLY 5 2HA GLY 5 -2.166 10.131 -8.506
23 HA3 GLY 5 1HA GLY 5 -0.611 9.450 -8.041
24 H LEU 6 H LEU 6 -1.896 9.458 -5.195
25 HA LEU 6 HA LEU 6 -3.282 6.891 -5.540
26 HB2 LEU 6 2HB LEU 6 -2.490 6.446 -3.166
27 HB3 LEU 6 1HB LEU 6 -1.284 6.387 -4.433
28 HG LEU 6 HG LEU 6 -0.682 8.782 -3.762
29 HD11 LEU 6 1HD1 LEU 6 -2.674 9.281 -2.444
30 HD12 LEU 6 2HD1 LEU 6 -1.212 9.423 -1.473
31 HD13 LEU 6 3HD1 LEU 6 -2.244 8.004 -1.306
32 HD21 LEU 6 3HD2 LEU 6 0.746 8.014 -1.946
33 HD22 LEU 6 1HD2 LEU 6 0.712 6.845 -3.267
34 HD23 LEU 6 2HD2 LEU 6 -0.218 6.546 -1.799
35 HA PRO 7 HA PRO 7 -6.781 8.628 -3.462
36 HB2 PRO 7 2HB PRO 7 -7.325 6.148 -2.032
37 HB3 PRO 7 1HB PRO 7 -8.194 6.860 -3.391
38 HG2 PRO 7 2HG PRO 7 -6.738 4.583 -3.609
39 HG3 PRO 7 1HG PRO 7 -6.956 5.723 -4.951
40 HD2 PRO 7 2HD PRO 7 -4.622 5.407 -3.094
41 HD3 PRO 7 1HD PRO 7 -4.638 5.653 -4.853
42 HA PRO 8 HA PRO 8 -5.716 9.947 0.627
43 HB2 PRO 8 2HB PRO 8 -8.287 10.067 1.681
44 HB3 PRO 8 1HB PRO 8 -7.489 11.360 0.784
45 HG2 PRO 8 2HG PRO 8 -9.465 9.334 -0.159
46 HG3 PRO 8 1HG PRO 8 -9.300 11.040 -0.617
47 HD2 PRO 8 2HD PRO 8 -8.460 9.070 -2.229
48 HD3 PRO 8 1HD PRO 8 -7.573 10.604 -2.100
49 H GLY 9 H GLY 9 -4.891 8.680 2.136
50 HA2 GLY 9 2HA GLY 9 -5.137 7.212 4.009
51 HA3 GLY 9 1HA GLY 9 -6.483 6.440 3.183
52 H TRP 10 H TRP 10 -4.204 6.908 0.868
53 HA TRP 10 HA TRP 10 -2.986 4.269 1.338
54 HB2 TRP 10 2HB TRP 10 -3.583 5.770 -1.215
55 HB3 TRP 10 1HB TRP 10 -2.506 4.377 -1.171
56 HD1 TRP 10 HD TRP 10 -6.021 4.909 0.424
57 HE1 TRP 10 1HE TRP 10 -7.499 2.920 -0.257
58 HE3 TRP 10 3HE TRP 10 -2.734 2.401 -2.570
59 HZ2 TRP 10 2HZ TRP 10 -7.313 0.609 -1.851
60 HZ3 TRP 10 3HZ TRP 10 -3.442 0.306 -3.630
61 HH2 TRP 10 HH TRP 10 -5.696 -0.576 -3.277
62 H GLU 11 H GLU 11 -0.757 3.992 0.957
63 HA GLU 11 HA GLU 11 0.831 6.476 0.866
64 HB2 GLU 11 2HB GLU 11 0.758 5.851 3.169
65 HB3 GLU 11 1HB GLU 11 1.033 4.162 2.783
66 HG2 GLU 11 2HG GLU 11 3.034 4.979 3.707
67 HG3 GLU 11 1HG GLU 11 3.313 4.802 1.979
68 H GLU 12 H GLU 12 2.812 6.357 -0.172
69 HA GLU 12 HA GLU 12 3.293 3.994 -1.827
70 HB2 GLU 12 2HB GLU 12 4.524 6.750 -1.750
71 HB3 GLU 12 1HB GLU 12 5.185 5.453 -2.730
72 HG2 GLU 12 2HG GLU 12 3.060 5.309 -3.947
73 HG3 GLU 12 1HG GLU 12 2.433 6.651 -2.988
74 H LYS 13 H LYS 13 4.577 2.410 -1.047
75 HA LYS 13 HA LYS 13 7.118 3.155 0.146
76 HB2 LYS 13 2HB LYS 13 5.066 1.523 1.621
77 HB3 LYS 13 1HB LYS 13 6.785 1.313 1.931
78 HG2 LYS 13 2HG LYS 13 5.242 3.889 2.231
79 HG3 LYS 13 1HG LYS 13 5.774 2.831 3.545
80 HD2 LYS 13 2HD LYS 13 8.066 3.279 3.093
81 HD3 LYS 13 1HD LYS 13 7.680 4.072 1.564
82 HE2 LYS 13 2HE LYS 13 6.832 5.091 4.277
83 HE3 LYS 13 1HE LYS 13 8.263 5.649 3.409
84 HZ1 LYS 13 3HZ LYS 13 6.968 7.097 2.369
85 HZ2 LYS 13 1HZ LYS 13 5.574 6.466 3.103
86 HZ3 LYS 13 2HZ LYS 13 6.132 5.819 1.638
87 H GLN 14 H GLN 14 8.674 1.407 0.154
88 HA GLN 14 HA GLN 14 8.145 -0.407 -2.081
89 HB2 GLN 14 2HB GLN 14 10.498 -0.538 -2.401
90 HB3 GLN 14 1HB GLN 14 10.127 1.155 -2.117
91 HG2 GLN 14 2HG GLN 14 11.243 -0.750 -0.062
92 HG3 GLN 14 1HG GLN 14 12.177 0.429 -0.978
93 HE21 GLN 14 1HE2 GLN 14 9.933 -0.070 1.619
94 HE22 GLN 14 2HE2 GLN 14 10.050 1.524 2.295
95 H ASP 15 H ASP 15 8.848 -2.622 -1.986
96 HA ASP 15 HA ASP 15 8.449 -3.778 0.666
97 HB2 ASP 15 2HB ASP 15 7.945 -5.811 -0.407
98 HB3 ASP 15 1HB ASP 15 7.284 -4.591 -1.491
99 H ASP 16 H ASP 16 9.838 -6.181 0.282
100 HA ASP 16 HA ASP 16 12.425 -5.489 1.189
101 HB2 ASP 16 2HB ASP 16 11.303 -7.512 1.950
102 HB3 ASP 16 1HB ASP 16 11.268 -8.139 0.305
103 H ARG 17 H ARG 17 11.139 -6.425 -1.945
104 HA ARG 17 HA ARG 17 13.827 -6.761 -3.020
105 HB2 ARG 17 2HB ARG 17 11.103 -7.262 -4.200
106 HB3 ARG 17 1HB ARG 17 12.609 -7.475 -5.092
107 HG2 ARG 17 2HG ARG 17 11.865 -8.894 -2.542
108 HG3 ARG 17 1HG ARG 17 11.825 -9.594 -4.163
109 HD2 ARG 17 2HD ARG 17 14.151 -9.567 -4.359
110 HD3 ARG 17 1HD ARG 17 14.331 -8.357 -3.091
111 HE ARG 17 HE ARG 17 13.312 -10.436 -1.738
112 HH11 ARG 17 1HH1 ARG 17 15.962 -10.164 -3.984
113 HH12 ARG 17 2HH1 ARG 17 16.914 -11.409 -3.219
114 HH21 ARG 17 1HH2 ARG 17 14.555 -12.058 -0.711
115 HH22 ARG 17 2HH2 ARG 17 16.103 -12.499 -1.361
116 H GLY 18 H GLY 18 11.258 -4.418 -3.055
117 HA2 GLY 18 2HA GLY 18 12.109 -2.132 -3.370
118 HA3 GLY 18 1HA GLY 18 13.055 -2.746 -4.712
119 H ARG 19 H ARG 19 9.744 -3.754 -4.252
120 HA ARG 19 HA ARG 19 9.000 -2.237 -6.645
121 HB2 ARG 19 2HB ARG 19 7.796 -4.567 -5.199
122 HB3 ARG 19 1HB ARG 19 6.769 -3.564 -6.211
123 HG2 ARG 19 2HG ARG 19 7.505 -5.443 -7.481
124 HG3 ARG 19 1HG ARG 19 8.299 -3.998 -8.111
125 HD2 ARG 19 2HD ARG 19 10.191 -4.700 -6.430
126 HD3 ARG 19 1HD ARG 19 9.440 -6.289 -6.584
127 HE ARG 19 HE ARG 19 9.987 -5.020 -9.106
128 HH11 ARG 19 1HH1 ARG 19 11.205 -7.156 -6.620
129 HH12 ARG 19 2HH1 ARG 19 12.526 -7.743 -7.584
130 HH21 ARG 19 1HH2 ARG 19 11.678 -5.790 -10.388
131 HH22 ARG 19 2HH2 ARG 19 12.792 -6.967 -9.750
132 H SER 20 H SER 20 8.015 -0.350 -6.458
133 HA SER 20 HA SER 20 7.163 0.675 -3.955
134 HB2 SER 20 2HB SER 20 6.515 1.698 -6.737
135 HB3 SER 20 1HB SER 20 6.361 2.603 -5.232
136 HG SER 20 HG SER 20 8.300 3.133 -6.261
137 H TYR 21 H TYR 21 5.489 -0.217 -2.940
138 HA TYR 21 HA TYR 21 3.082 -0.795 -4.510
139 HB2 TYR 21 2HB TYR 21 2.416 -2.338 -2.731
140 HB3 TYR 21 1HB TYR 21 4.006 -2.769 -3.354
141 HD1 TYR 21 1HD TYR 21 2.356 -0.927 -0.557
142 HD2 TYR 21 2HD TYR 21 5.791 -3.087 -1.853
143 HE1 TYR 21 1HE TYR 21 3.252 -0.878 1.734
144 HE2 TYR 21 2HE TYR 21 6.683 -3.044 0.435
145 HH TYR 21 HH TYR 21 4.797 -2.094 3.127
146 H TYR 22 H TYR 22 1.088 -0.699 -2.889
147 HA TYR 22 HA TYR 22 1.306 1.882 -1.500
148 HB2 TYR 22 2HB TYR 22 -1.253 0.792 -2.663
149 HB3 TYR 22 1HB TYR 22 -0.901 2.427 -2.124
150 HD1 TYR 22 2HD TYR 22 0.482 3.926 -3.498
151 HD2 TYR 22 1HD TYR 22 -0.677 0.068 -4.882
152 HE1 TYR 22 2HE TYR 22 1.059 4.584 -5.791
153 HE2 TYR 22 1HE TYR 22 -0.104 0.716 -7.186
154 HH TYR 22 HH TYR 22 0.143 2.773 -8.523
155 H VAL 23 H VAL 23 0.474 2.016 0.531
156 HA VAL 23 HA VAL 23 -0.533 -0.511 1.661
157 HB VAL 23 HB VAL 23 1.636 -0.218 2.567
158 HG11 VAL 23 1HG1 VAL 23 2.399 1.838 3.650
159 HG12 VAL 23 2HG1 VAL 23 0.889 2.626 3.202
160 HG13 VAL 23 3HG1 VAL 23 2.011 2.098 1.952
161 HG21 VAL 23 3HG2 VAL 23 -0.033 -0.856 4.213
162 HG22 VAL 23 1HG2 VAL 23 -0.336 0.845 4.584
163 HG23 VAL 23 2HG2 VAL 23 1.235 0.126 4.942
164 H ASP 24 H ASP 24 -2.362 -0.481 2.760
165 HA ASP 24 HA ASP 24 -3.918 1.961 2.815
166 HB2 ASP 24 2HB ASP 24 -5.196 0.120 2.145
167 HB3 ASP 24 1HB ASP 24 -4.511 -0.928 3.377
168 H HIS 25 H HIS 25 -4.252 3.229 4.501
169 HA HIS 25 HA HIS 25 -2.821 2.686 6.951
170 HB2 HIS 25 2HB HIS 25 -4.413 5.061 6.000
171 HB3 HIS 25 1HB HIS 25 -3.708 4.971 7.605
172 HD1 HIS 25 1HD HIS 25 -1.083 5.023 7.748
173 HD2 HIS 25 2HD HIS 25 -2.694 5.768 3.993
174 HE1 HIS 25 1HE HIS 25 0.781 6.038 6.396
175 HE2 HIS 25 2HE HIS 25 -0.316 6.746 4.235
176 H ASN 26 H ASN 26 -5.910 1.900 5.912
177 HA ASN 26 HA ASN 26 -7.317 2.687 8.313
178 HB2 ASN 26 2HB ASN 26 -8.252 1.044 5.949
179 HB3 ASN 26 1HB ASN 26 -9.279 1.598 7.264
180 HD21 ASN 26 1HD2 ASN 26 -7.672 2.423 4.340
181 HD22 ASN 26 2HD2 ASN 26 -8.281 4.045 4.224
182 H SER 27 H SER 27 -6.600 -0.445 6.743
183 HA SER 27 HA SER 27 -6.978 -1.705 9.390
184 HB2 SER 27 2HB SER 27 -6.970 -2.982 6.644
185 HB3 SER 27 1HB SER 27 -7.307 -3.800 8.170
186 HG SER 27 HG SER 27 -8.867 -1.639 7.968
187 H LYS 28 H LYS 28 -4.674 -0.603 7.326
188 HA LYS 28 HA LYS 28 -2.416 -0.543 7.466
189 HB2 LYS 28 2HB LYS 28 -2.702 -2.334 9.888
190 HB3 LYS 28 1HB LYS 28 -1.271 -1.425 9.427
191 HG2 LYS 28 2HG LYS 28 -3.896 -0.113 10.066
192 HG3 LYS 28 1HG LYS 28 -2.672 -0.451 11.285
193 HD2 LYS 28 2HD LYS 28 -2.110 1.154 8.799
194 HD3 LYS 28 1HD LYS 28 -2.658 1.886 10.309
195 HE2 LYS 28 2HE LYS 28 -0.681 0.708 11.404
196 HE3 LYS 28 1HE LYS 28 -0.095 0.405 9.768
197 HZ1 LYS 28 3HZ LYS 28 -0.054 2.784 9.370
198 HZ2 LYS 28 1HZ LYS 28 0.876 2.413 10.738
199 HZ3 LYS 28 2HZ LYS 28 -0.670 3.089 10.917
200 H THR 29 H THR 29 -2.472 -1.694 5.483
201 HA THR 29 HA THR 29 -1.372 -4.388 5.676
202 HB THR 29 HB THR 29 -3.778 -4.760 5.502
203 HG1 THR 29 1HG THR 29 -2.713 -5.275 2.928
204 HG21 THR 29 3HG2 THR 29 -3.589 -3.104 2.983
205 HG22 THR 29 1HG2 THR 29 -4.462 -2.681 4.460
206 HG23 THR 29 2HG2 THR 29 -4.996 -4.047 3.481
207 H THR 30 H THR 30 -0.204 -5.037 3.907
208 HA THR 30 HA THR 30 0.588 -2.917 2.075
209 HB THR 30 HB THR 30 2.334 -4.138 3.317
210 HG1 THR 30 1HG THR 30 3.533 -3.827 1.621
211 HG21 THR 30 3HG2 THR 30 1.213 -6.315 3.480
212 HG22 THR 30 1HG2 THR 30 2.843 -6.465 2.818
213 HG23 THR 30 2HG2 THR 30 1.446 -6.557 1.748
214 H THR 31 H THR 31 -0.030 -2.938 -0.081
215 HA THR 31 HA THR 31 -0.776 -5.459 -1.314
216 HB THR 31 HB THR 31 -2.897 -4.921 -0.345
217 HG1 THR 31 1HG THR 31 -2.700 -5.366 -2.788
218 HG21 THR 31 3HG2 THR 31 -4.041 -2.785 -0.719
219 HG22 THR 31 1HG2 THR 31 -2.608 -2.171 -1.544
220 HG23 THR 31 2HG2 THR 31 -2.532 -2.577 0.169
221 H TRP 32 H TRP 32 -0.281 -5.476 -3.471
222 HA TRP 32 HA TRP 32 0.271 -2.845 -4.672
223 HB2 TRP 32 2HB TRP 32 1.971 -4.903 -4.640
224 HB3 TRP 32 1HB TRP 32 1.033 -5.389 -6.043
225 HD1 TRP 32 HD TRP 32 4.148 -3.921 -5.491
226 HE1 TRP 32 1HE TRP 32 4.843 -2.218 -7.286
227 HE3 TRP 32 3HE TRP 32 -0.423 -3.027 -7.614
228 HZ2 TRP 32 2HZ TRP 32 3.630 -0.693 -9.323
229 HZ3 TRP 32 3HZ TRP 32 -0.572 -1.430 -9.470
230 HH2 TRP 32 HH TRP 32 1.416 -0.288 -10.313
231 H SER 33 H SER 33 -1.862 -2.373 -5.091
232 HA SER 33 HA SER 33 -2.889 -3.719 -7.468
233 HB2 SER 33 2HB SER 33 -4.564 -2.886 -5.086
234 HB3 SER 33 1HB SER 33 -5.200 -3.492 -6.615
235 HG SER 33 HG SER 33 -3.290 -5.071 -5.331
236 H LYS 34 H LYS 34 -3.846 -2.267 -8.955
237 HA LYS 34 HA LYS 34 -3.594 0.552 -8.238
238 HB2 LYS 34 2HB LYS 34 -4.146 -0.815 -10.868
239 HB3 LYS 34 1HB LYS 34 -4.231 0.927 -10.656
240 HG2 LYS 34 2HG LYS 34 -1.807 -0.823 -10.344
241 HG3 LYS 34 1HG LYS 34 -2.118 0.361 -11.613
242 HD2 LYS 34 2HD LYS 34 -1.590 0.874 -8.692
243 HD3 LYS 34 1HD LYS 34 -0.584 1.331 -10.062
244 HE2 LYS 34 2HE LYS 34 -3.275 2.452 -9.306
245 HE3 LYS 34 1HE LYS 34 -1.720 3.283 -9.269
246 HZ1 LYS 34 3HZ LYS 34 -2.817 4.006 -11.211
247 HZ2 LYS 34 1HZ LYS 34 -3.270 2.431 -11.648
248 HZ3 LYS 34 2HZ LYS 34 -1.643 2.903 -11.742
249 HA PRO 35 HA PRO 35 -7.871 0.594 -7.002
250 HB2 PRO 35 2HB PRO 35 -7.462 3.503 -7.500
251 HB3 PRO 35 1HB PRO 35 -8.108 2.690 -6.068
252 HG2 PRO 35 2HG PRO 35 -5.652 3.689 -6.041
253 HG3 PRO 35 1HG PRO 35 -5.991 2.125 -5.274
254 HD2 PRO 35 2HD PRO 35 -4.691 2.709 -7.906
255 HD3 PRO 35 1HD PRO 35 -4.281 1.466 -6.705
256 H THR 36 H THR 36 -9.610 0.283 -8.263
257 HA THR 36 HA THR 36 -9.341 1.005 -11.072
258 HB THR 36 HB THR 36 -11.424 -0.785 -9.814
259 HG1 THR 36 1HG THR 36 -9.090 -1.392 -9.572
260 HG21 THR 36 3HG2 THR 36 -10.412 -0.564 -12.652
261 HG22 THR 36 1HG2 THR 36 -11.967 0.031 -12.069
262 HG23 THR 36 2HG2 THR 36 -11.630 -1.698 -12.070
263 H MET 37 H MET 37 -9.737 3.271 -10.198
264 HA MET 37 HA MET 37 -12.020 4.237 -11.416
265 HB2 MET 37 2HB MET 37 -12.501 3.533 -8.626
266 HB3 MET 37 1HB MET 37 -12.790 5.237 -8.938
267 HG2 MET 37 2HG MET 37 -14.065 2.905 -10.347
268 HG3 MET 37 1HG MET 37 -14.835 4.022 -9.218
269 HE1 MET 37 3HE MET 37 -16.793 4.450 -10.974
270 HE2 MET 37 1HE MET 37 -16.025 3.335 -12.098
271 HE3 MET 37 2HE MET 37 -16.521 4.936 -12.649
272 H GLN 38 H GLU 38 -11.378 6.169 -12.084
273 HA GLN 38 HA GLU 38 -9.475 7.678 -10.432
274 HB2 GLN 38 2HB GLU 38 -10.095 7.714 -13.373
275 HB3 GLN 38 1HB GLU 38 -9.222 9.031 -12.608
276 HG2 GLN 38 2HG GLU 38 -7.521 7.413 -11.849
277 HG3 GLN 38 1HG GLU 38 -8.391 6.146 -12.711
278 H ASP 39 H ASP 39 -10.045 9.526 -9.495
279 HA ASP 39 HA ASP 39 -12.736 10.561 -9.981
280 HB2 ASP 39 2HB ASP 39 -12.120 10.116 -7.650
281 HB3 ASP 39 1HB ASP 39 -10.735 11.193 -7.800
282 H1 ALA 40 1HT ALA 40 -3.350 -7.066 13.857
283 H2 ALA 40 2HT ALA 40 -4.516 -6.655 15.014
284 H3 ALA 40 3HT ALA 40 -3.682 -5.434 14.183
285 HA ALA 40 HA ALA 40 -5.572 -7.374 12.993
286 HB1 ALA 40 2HB ALA 40 -6.651 -5.639 14.388
287 HB2 ALA 40 3HB ALA 40 -7.054 -5.483 12.677
288 HB3 ALA 40 1HB ALA 40 -5.868 -4.401 13.407
289 HA PRO 41 HA PRO 41 -3.597 -5.845 9.243
290 HB2 PRO 41 2HB PRO 41 -3.824 -8.123 7.849
291 HB3 PRO 41 1HB PRO 41 -2.595 -7.951 9.107
292 HG2 PRO 41 2HG PRO 41 -5.091 -9.531 9.123
293 HG3 PRO 41 1HG PRO 41 -3.609 -9.753 10.069
294 HD2 PRO 41 2HD PRO 41 -6.064 -8.463 10.865
295 HD3 PRO 41 1HD PRO 41 -4.603 -8.735 11.832
296 H LEU 42 H LEU 42 -4.644 -6.705 6.815
297 HA LEU 42 HA LEU 42 -7.480 -6.007 7.077
298 HB2 LEU 42 2HB LEU 42 -6.156 -4.558 5.584
299 HB3 LEU 42 1HB LEU 42 -5.743 -5.954 4.609
300 HG LEU 42 HG LEU 42 -7.974 -6.184 3.810
301 HD11 LEU 42 1HD1 LEU 42 -9.814 -4.737 4.578
302 HD12 LEU 42 2HD1 LEU 42 -8.751 -4.091 5.830
303 HD13 LEU 42 3HD1 LEU 42 -9.199 -5.798 5.846
304 HD21 LEU 42 3HD2 LEU 42 -8.380 -3.976 2.781
305 HD22 LEU 42 1HD2 LEU 42 -6.691 -4.468 2.688
306 HD23 LEU 42 2HD2 LEU 42 -7.194 -3.270 3.878
307 H SEP 43 H SEP 43 -6.290 -7.592 4.237
308 HA SEP 43 HA SEP 43 -6.943 -10.244 5.109
309 HB2 SEP 43 1HB SEP 43 -8.732 -10.640 3.450
310 HB3 SEP 43 2HB SEP 43 -8.711 -8.923 3.034
311 HA PRO 44 HA PRO 44 -5.477 -10.315 0.428
312 HB2 PRO 44 2HB PRO 44 -4.375 -7.562 0.220
313 HB3 PRO 44 1HB PRO 44 -5.221 -8.535 -0.992
314 HG2 PRO 44 2HG PRO 44 -6.457 -6.513 0.220
315 HG3 PRO 44 1HG PRO 44 -7.316 -8.025 -0.123
316 HD2 PRO 44 2HD PRO 44 -6.180 -7.031 2.462
317 HD3 PRO 44 1HD PRO 44 -7.706 -7.885 2.154
318 H MET 45 H MET 45 -3.372 -7.721 1.597
319 HA MET 45 HA MET 45 -1.133 -7.629 1.941
320 HB2 MET 45 2HB MET 45 -1.622 -10.301 3.269
321 HB3 MET 45 1HB MET 45 -0.145 -9.356 3.418
322 HG2 MET 45 2HG MET 45 -1.517 -7.504 4.372
323 HG3 MET 45 1HG MET 45 -2.895 -8.596 4.374
324 HE1 MET 45 3HE MET 45 0.906 -9.194 6.912
325 HE2 MET 45 1HE MET 45 0.613 -7.785 5.892
326 HE3 MET 45 2HE MET 45 0.874 -9.366 5.159
327 H SEP 46 H SEP 46 -0.455 -7.686 -0.166
328 HA SEP 46 HA SEP 46 -0.091 -10.306 -1.411
329 HB2 SEP 46 1HB SEP 46 -0.050 -9.051 -3.546
330 HB3 SEP 46 2HB SEP 46 -0.237 -7.543 -2.640
331 HA PRO 47 HA PRO 47 4.322 -8.215 -1.982
332 HB2 PRO 47 2HB PRO 47 4.122 -6.210 0.217
333 HB3 PRO 47 1HB PRO 47 4.958 -6.101 -1.337
334 HG2 PRO 47 2HG PRO 47 2.702 -4.783 -0.977
335 HG3 PRO 47 1HG PRO 47 2.998 -5.634 -2.506
336 HD2 PRO 47 2HD PRO 47 1.309 -6.486 -0.173
337 HD3 PRO 47 1HD PRO 47 0.949 -6.569 -1.912
338 HA PRO 48 HA PRO 48 5.911 -10.820 1.127
339 HB2 PRO 48 2HB PRO 48 8.326 -9.743 1.836
340 HB3 PRO 48 1HB PRO 48 8.036 -10.616 0.326
341 HG2 PRO 48 2HG PRO 48 8.083 -7.660 0.831
342 HG3 PRO 48 1HG PRO 48 8.787 -8.581 -0.512
343 HD2 PRO 48 2HD PRO 48 6.475 -7.253 -0.785
344 HD3 PRO 48 1HD PRO 48 6.746 -8.814 -1.586
345 H GLY 49 H GLY 49 4.847 -7.850 2.142
346 HA2 GLY 49 2HA GLY 49 3.798 -8.237 4.418
347 HA3 GLY 49 1HA GLY 49 5.448 -8.507 4.949
348 H TYR 50 H TYR 50 3.466 -6.581 5.821
349 HA TYR 50 HA TYR 50 5.261 -4.318 5.952
350 HB2 TYR 50 2HB TYR 50 3.940 -3.467 4.160
351 HB3 TYR 50 1HB TYR 50 2.452 -4.092 4.866
352 HD1 TYR 50 2HD TYR 50 5.069 -1.484 5.245
353 HD2 TYR 50 1HD TYR 50 1.196 -2.808 6.418
354 HE1 TYR 50 2HE TYR 50 4.665 0.677 6.351
355 HE2 TYR 50 1HE TYR 50 0.784 -0.652 7.529
356 HH TYR 50 HH TYR 50 2.884 2.058 7.133
357 H LYS 51 H LYS 51 5.548 -4.511 8.108
358 HA LYS 51 HA LYS 51 3.957 -3.121 9.794
359 HB2 LYS 51 2HB LYS 51 2.323 -5.051 9.375
360 HB3 LYS 51 1HB LYS 51 3.397 -6.028 10.372
361 HG2 LYS 51 2HG LYS 51 2.877 -4.889 12.300
362 HG3 LYS 51 1HG LYS 51 2.419 -3.424 11.432
363 HD2 LYS 51 2HD LYS 51 0.839 -6.001 11.438
364 HD3 LYS 51 1HD LYS 51 0.479 -4.585 12.433
365 HE2 LYS 51 2HE LYS 51 0.151 -3.246 10.425
366 HE3 LYS 51 1HE LYS 51 0.550 -4.634 9.416
367 HZ1 LYS 51 3HZ LYS 51 -1.393 -5.776 10.378
368 HZ2 LYS 51 1HZ LYS 51 -1.821 -4.376 9.525
369 HZ3 LYS 51 2HZ LYS 51 -1.803 -4.368 11.217
370 H LEU 52 H LEU 52 6.239 -2.658 10.041
371 HA LEU 52 HA LEU 52 7.599 -4.487 11.878
372 HB2 LEU 52 2HB LEU 52 9.606 -3.182 11.512
373 HB3 LEU 52 1HB LEU 52 8.925 -3.692 9.983
374 HG LEU 52 HG LEU 52 8.439 -0.927 11.072
375 HD11 LEU 52 1HD1 LEU 52 10.868 -1.308 10.947
376 HD12 LEU 52 2HD1 LEU 52 10.307 -0.138 9.756
377 HD13 LEU 52 3HD1 LEU 52 10.688 -1.784 9.256
378 HD21 LEU 52 3HD2 LEU 52 8.411 -2.057 8.273
379 HD22 LEU 52 1HD2 LEU 52 8.052 -0.391 8.724
380 HD23 LEU 52 2HD2 LEU 52 6.988 -1.698 9.251
381 H VAL 53 H VAL 53 6.543 -1.138 11.572
382 HA VAL 53 HA VAL 53 6.117 -1.033 14.457
383 HB VAL 53 HB VAL 53 7.418 1.249 12.952
384 HG11 VAL 53 1HG1 VAL 53 5.927 1.919 14.786
385 HG12 VAL 53 2HG1 VAL 53 7.613 2.298 15.137
386 HG13 VAL 53 3HG1 VAL 53 6.849 0.900 15.893
387 HG21 VAL 53 3HG2 VAL 53 8.663 -0.575 15.006
388 HG22 VAL 53 1HG2 VAL 53 9.433 0.810 14.238
389 HG23 VAL 53 2HG2 VAL 53 9.003 -0.608 13.275
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