Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22439 | 2joo RC | 15405 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 1H VAL 1 -6.390 16.077 7.924
2 H2 VAL 1 2H VAL 1 -6.606 17.278 6.749
3 H3 VAL 1 3H VAL 1 -5.148 17.191 7.603
4 HA VAL 1 HA VAL 1 -4.791 16.323 5.445
5 HB VAL 1 HB VAL 1 -4.087 14.017 5.931
6 HG11 VAL 1 1HG1 VAL 1 -2.579 14.543 7.789
7 HG12 VAL 1 2HG1 VAL 1 -3.543 15.974 8.157
8 HG13 VAL 1 3HG1 VAL 1 -2.678 15.858 6.623
9 HG21 VAL 1 3HG2 VAL 1 -5.987 13.274 7.256
10 HG22 VAL 1 1HG2 VAL 1 -5.546 14.393 8.548
11 HG23 VAL 1 2HG2 VAL 1 -4.483 13.043 8.148
12 H VAL 2 H VAL 2 -5.325 14.891 3.753
13 HA VAL 2 HA VAL 2 -8.142 14.017 3.831
14 HB VAL 2 HB VAL 2 -6.709 15.231 1.459
15 HG11 VAL 2 1HG1 VAL 2 -8.920 15.207 0.391
16 HG12 VAL 2 2HG1 VAL 2 -9.586 14.388 1.803
17 HG13 VAL 2 3HG1 VAL 2 -8.380 13.579 0.803
18 HG21 VAL 2 3HG2 VAL 2 -8.252 17.131 1.753
19 HG22 VAL 2 1HG2 VAL 2 -7.164 16.934 3.129
20 HG23 VAL 2 2HG2 VAL 2 -8.840 16.402 3.246
21 H TYR 3 H TYR 3 -7.977 11.848 3.960
22 HA TYR 3 HA TYR 3 -6.189 10.455 2.111
23 HB2 TYR 3 2HB TYR 3 -7.960 9.478 4.345
24 HB3 TYR 3 1HB TYR 3 -7.228 8.380 3.194
25 HD1 TYR 3 HD2 TYR 3 -6.115 11.237 5.371
26 HD2 TYR 3 HD1 TYR 3 -5.321 7.322 3.888
27 HE1 TYR 3 HE2 TYR 3 -4.064 11.139 6.727
28 HE2 TYR 3 HE1 TYR 3 -3.271 7.219 5.236
29 HH TYR 3 HH TYR 3 -2.613 9.301 7.749
30 H THR 4 H THR 4 -7.090 8.752 0.770
31 HA THR 4 HA THR 4 -9.828 9.274 -0.120
32 HB THR 4 HB THR 4 -8.987 9.139 -2.503
33 HG1 THR 4 HG1 THR 4 -6.487 9.653 -1.203
34 HG21 THR 4 3HG2 THR 4 -8.297 11.502 -2.599
35 HG22 THR 4 1HG2 THR 4 -8.086 11.502 -0.849
36 HG23 THR 4 2HG2 THR 4 -9.691 11.269 -1.543
37 H ASP 5 H ASP 5 -10.175 7.580 -2.086
38 HA ASP 5 HA ASP 5 -9.691 4.988 -0.868
39 HB2 ASP 5 2HB ASP 5 -11.103 5.349 -3.494
40 HB3 ASP 5 1HB ASP 5 -11.424 4.186 -2.213
41 H CYS 6 H CYS 6 -8.790 3.210 -2.118
42 HA CYS 6 HA CYS 6 -6.420 3.924 -3.482
43 HB2 CYS 6 2HB CYS 6 -7.767 1.241 -3.690
44 HB3 CYS 6 1HB CYS 6 -6.048 1.611 -3.780
45 HG CYS 6 HG CYS 6 -5.581 1.835 -1.171
46 H THR 7 H THR 7 -5.986 4.193 -5.601
47 HA THR 7 HA THR 7 -8.268 3.971 -7.441
48 HB THR 7 HB THR 7 -5.746 5.605 -7.719
49 HG1 THR 7 HG1 THR 7 -8.410 6.414 -7.058
50 HG21 THR 7 3HG2 THR 7 -6.981 6.756 -9.521
51 HG22 THR 7 1HG2 THR 7 -8.301 5.604 -9.333
52 HG23 THR 7 2HG2 THR 7 -6.722 5.050 -9.887
53 H GLU 8 H GLU 8 -5.012 2.891 -6.859
54 HA GLU 8 HA GLU 8 -5.146 1.263 -9.303
55 HB2 GLU 8 2HB GLU 8 -3.102 3.142 -8.442
56 HB3 GLU 8 1HB GLU 8 -2.438 1.539 -8.696
57 HG2 GLU 8 2HG GLU 8 -4.059 3.085 -10.709
58 HG3 GLU 8 1HG GLU 8 -2.299 2.980 -10.685
59 H SER 9 H SER 9 -3.942 -0.748 -9.165
60 HA SER 9 HA SER 9 -4.324 -1.935 -6.545
61 HB2 SER 9 2HB SER 9 -3.495 -3.237 -9.156
62 HB3 SER 9 1HB SER 9 -4.061 -4.062 -7.696
63 HG SER 9 HG SER 9 -5.540 -2.291 -9.362
64 H GLY 10 H GLY 10 -2.738 -2.402 -5.180
65 HA2 GLY 10 2HA GLY 10 -0.420 -3.098 -4.828
66 HA3 GLY 10 1HA GLY 10 0.032 -2.063 -6.172
67 H GLN 11 H GLN 11 -2.230 -0.320 -4.740
68 HA GLN 11 HA GLN 11 -0.317 1.177 -3.126
69 HB2 GLN 11 2HB GLN 11 -2.922 1.768 -4.402
70 HB3 GLN 11 1HB GLN 11 -2.578 2.620 -2.898
71 HG2 GLN 11 2HG GLN 11 -1.379 4.064 -4.046
72 HG3 GLN 11 1HG GLN 11 -0.239 2.778 -4.423
73 HE21 GLN 11 1HE2 GLN 11 -2.911 4.665 -5.518
74 HE22 GLN 11 2HE2 GLN 11 -2.739 4.303 -7.190
75 H ASN 12 H ASN 12 -0.897 1.936 -0.961
76 HA ASN 12 HA ASN 12 -2.721 0.084 0.398
77 HB2 ASN 12 2HB ASN 12 -1.078 0.298 2.383
78 HB3 ASN 12 1HB ASN 12 -0.779 -0.856 1.099
79 HD21 ASN 12 1HD2 ASN 12 1.366 -0.952 1.567
80 HD22 ASN 12 2HD2 ASN 12 2.470 0.312 1.149
81 H LEU 13 H LEU 13 -0.862 3.040 1.030
82 HA LEU 13 HA LEU 13 -2.333 3.926 3.231
83 HB2 LEU 13 2HB LEU 13 -0.606 5.420 1.272
84 HB3 LEU 13 1HB LEU 13 -1.290 6.169 2.702
85 HG LEU 13 HG LEU 13 0.540 3.769 2.787
86 HD11 LEU 13 1HD1 LEU 13 1.175 6.689 3.188
87 HD12 LEU 13 2HD1 LEU 13 1.723 5.677 1.850
88 HD13 LEU 13 3HD1 LEU 13 2.275 5.345 3.492
89 HD21 LEU 13 3HD2 LEU 13 0.732 4.303 5.139
90 HD22 LEU 13 1HD2 LEU 13 -0.965 4.072 4.723
91 HD23 LEU 13 2HD2 LEU 13 -0.325 5.700 4.939
92 H CYS 14 H CYS 14 -4.400 3.336 1.970
93 HA CYS 14 HA CYS 14 -5.832 5.807 1.518
94 HB2 CYS 14 2HB CYS 14 -6.806 4.491 -0.640
95 HB3 CYS 14 1HB CYS 14 -5.503 5.668 -0.745
96 HG CYS 14 HG CYS 14 -4.126 2.813 -0.060
97 H LEU 15 H LEU 15 -8.267 5.265 1.261
98 HA LEU 15 HA LEU 15 -8.927 3.131 3.108
99 HB2 LEU 15 2HB LEU 15 -11.150 4.324 1.588
100 HB3 LEU 15 1HB LEU 15 -10.986 4.059 3.308
101 HG LEU 15 HG LEU 15 -9.663 6.347 1.835
102 HD11 LEU 15 1HD1 LEU 15 -11.426 7.758 2.729
103 HD12 LEU 15 2HD1 LEU 15 -12.222 6.350 3.433
104 HD13 LEU 15 3HD1 LEU 15 -12.100 6.512 1.680
105 HD21 LEU 15 3HD2 LEU 15 -8.577 5.761 3.920
106 HD22 LEU 15 1HD2 LEU 15 -10.123 5.826 4.767
107 HD23 LEU 15 2HD2 LEU 15 -9.430 7.296 4.082
108 H CYS 16 H CYS 16 -8.668 1.171 2.284
109 HA CYS 16 HA CYS 16 -9.362 0.594 -0.451
110 HB2 CYS 16 2HB CYS 16 -7.378 -0.456 0.328
111 HB3 CYS 16 1HB CYS 16 -8.179 -1.043 1.777
112 HG CYS 16 HG CYS 16 -7.644 -2.671 -0.916
113 H GLU 17 H GLU 17 -10.052 -1.141 2.526
114 HA GLU 17 HA GLU 17 -12.547 -2.093 1.388
115 HB2 GLU 17 2HB GLU 17 -10.630 -3.020 3.278
116 HB3 GLU 17 1HB GLU 17 -12.235 -2.999 3.995
117 HG2 GLU 17 2HG GLU 17 -13.062 -4.521 2.416
118 HG3 GLU 17 1HG GLU 17 -11.709 -4.246 1.318
119 H GLY 18 H GLY 18 -14.162 -0.843 1.625
120 HA2 GLY 18 2HA GLY 18 -15.737 0.613 2.451
121 HA3 GLY 18 1HA GLY 18 -15.461 -0.210 3.976
122 H SER 19 H SER 19 -13.830 0.604 5.376
123 HA SER 19 HA SER 19 -13.174 3.442 4.950
124 HB2 SER 19 2HB SER 19 -13.405 3.449 7.562
125 HB3 SER 19 1HB SER 19 -14.848 3.599 6.557
126 HG SER 19 HG SER 19 -13.963 1.488 8.166
127 H ASN 20 H ASN 20 -11.945 0.419 5.310
128 HA ASN 20 HA ASN 20 -9.967 0.770 7.306
129 HB2 ASN 20 2HB ASN 20 -10.291 -1.208 5.060
130 HB3 ASN 20 1HB ASN 20 -8.883 -1.234 6.118
131 HD21 ASN 20 1HD2 ASN 20 -12.353 -1.572 5.966
132 HD22 ASN 20 2HD2 ASN 20 -12.520 -2.410 7.470
133 H VAL 21 H VAL 21 -8.335 2.058 7.253
134 HA VAL 21 HA VAL 21 -7.261 3.006 4.714
135 HB VAL 21 HB VAL 21 -6.208 3.734 7.444
136 HG11 VAL 21 1HG1 VAL 21 -5.534 5.803 6.296
137 HG12 VAL 21 2HG1 VAL 21 -6.153 5.140 4.785
138 HG13 VAL 21 3HG1 VAL 21 -4.798 4.360 5.599
139 HG21 VAL 21 3HG2 VAL 21 -8.507 5.016 5.988
140 HG22 VAL 21 1HG2 VAL 21 -7.693 5.705 7.390
141 HG23 VAL 21 2HG2 VAL 21 -8.572 4.184 7.537
142 H CYS 22 H CYS 22 -6.169 1.278 3.866
143 HA CYS 22 HA CYS 22 -4.506 -0.436 5.351
144 HB2 CYS 22 2HB CYS 22 -5.359 -0.227 2.648
145 HB3 CYS 22 1HB CYS 22 -3.602 -0.282 2.634
146 HG CYS 22 HG CYS 22 -5.757 -2.637 3.806
147 H GLY 23 H GLY 23 -2.256 -0.490 5.578
148 HA2 GLY 23 2HA GLY 23 -0.856 1.991 4.851
149 HA3 GLY 23 1HA GLY 23 -0.785 1.376 6.497
150 H GLN 24 H GLN 24 1.191 0.575 6.822
151 HA GLN 24 HA GLN 24 2.622 -0.528 4.543
152 HB2 GLN 24 2HB GLN 24 3.512 0.072 7.370
153 HB3 GLN 24 1HB GLN 24 4.568 -0.549 6.108
154 HG2 GLN 24 2HG GLN 24 4.273 1.447 4.809
155 HG3 GLN 24 1HG GLN 24 3.067 2.056 5.942
156 HE21 GLN 24 1HE2 GLN 24 5.949 0.400 6.995
157 HE22 GLN 24 2HE2 GLN 24 6.726 1.784 7.681
158 H GLY 25 H GLY 25 3.360 -2.603 4.378
159 HA2 GLY 25 2HA GLY 25 3.592 -4.851 5.004
160 HA3 GLY 25 1HA GLY 25 2.622 -4.539 6.438
161 H ASN 26 H ASN 26 0.814 -3.056 4.352
162 HA ASN 26 HA ASN 26 -0.467 -5.480 3.283
163 HB2 ASN 26 2HB ASN 26 -1.761 -2.983 4.371
164 HB3 ASN 26 1HB ASN 26 -2.622 -4.198 3.432
165 HD21 ASN 26 1HD2 ASN 26 -3.024 -3.327 6.189
166 HD22 ASN 26 2HD2 ASN 26 -2.888 -4.751 7.160
167 H LYS 27 H LYS 27 -1.840 -5.051 1.399
168 HA LYS 27 HA LYS 27 -1.114 -2.750 -0.199
169 HB2 LYS 27 2HB LYS 27 0.704 -4.193 -0.748
170 HB3 LYS 27 1HB LYS 27 -0.355 -5.585 -0.894
171 HG2 LYS 27 2HG LYS 27 -1.222 -4.851 -2.945
172 HG3 LYS 27 1HG LYS 27 -0.574 -3.223 -2.727
173 HD2 LYS 27 2HD LYS 27 0.734 -4.559 -4.344
174 HD3 LYS 27 1HD LYS 27 1.684 -4.037 -2.948
175 HE2 LYS 27 2HE LYS 27 2.167 -6.360 -3.527
176 HE3 LYS 27 1HE LYS 27 1.428 -6.237 -1.934
177 HZ1 LYS 27 3HZ LYS 27 -0.716 -6.818 -3.015
178 HZ2 LYS 27 1HZ LYS 27 0.443 -8.052 -3.072
179 HZ3 LYS 27 2HZ LYS 27 0.127 -7.121 -4.453
180 H CYS 28 H CYS 28 -2.918 -2.106 -1.255
181 HA CYS 28 HA CYS 28 -5.198 -3.903 -1.290
182 HB2 CYS 28 2HB CYS 28 -5.657 -1.672 -0.513
183 HB3 CYS 28 1HB CYS 28 -4.921 -0.969 -1.948
184 HG CYS 28 HG CYS 28 -7.563 -0.527 -2.324
185 H ILE 29 H ILE 29 -6.051 -4.795 -3.058
186 HA ILE 29 HA ILE 29 -4.969 -3.990 -5.669
187 HB ILE 29 HB ILE 29 -5.470 -6.456 -6.304
188 HG12 ILE 29 2HG1 ILE 29 -4.981 -6.737 -3.335
189 HG13 ILE 29 1HG1 ILE 29 -6.540 -6.987 -4.118
190 HG21 ILE 29 1HG2 ILE 29 -3.256 -5.458 -6.356
191 HG22 ILE 29 2HG2 ILE 29 -3.172 -7.091 -5.691
192 HG23 ILE 29 3HG2 ILE 29 -3.090 -5.696 -4.618
193 HD11 ILE 29 3HD1 ILE 29 -4.041 -8.589 -4.634
194 HD12 ILE 29 1HD1 ILE 29 -5.620 -8.859 -5.376
195 HD13 ILE 29 2HD1 ILE 29 -5.407 -9.095 -3.641
196 H LEU 30 H LEU 30 -6.454 -3.221 -6.941
197 HA LEU 30 HA LEU 30 -9.264 -3.806 -6.468
198 HB2 LEU 30 2HB LEU 30 -7.916 -1.761 -8.239
199 HB3 LEU 30 1HB LEU 30 -9.649 -1.981 -8.129
200 HG LEU 30 HG LEU 30 -9.342 -1.488 -5.610
201 HD11 LEU 30 1HD1 LEU 30 -7.459 -0.031 -5.083
202 HD12 LEU 30 2HD1 LEU 30 -6.790 -0.310 -6.691
203 HD13 LEU 30 3HD1 LEU 30 -6.919 -1.645 -5.547
204 HD21 LEU 30 3HD2 LEU 30 -8.958 0.659 -7.689
205 HD22 LEU 30 1HD2 LEU 30 -9.515 0.918 -6.037
206 HD23 LEU 30 2HD2 LEU 30 -10.498 -0.021 -7.162
207 H GLY 31 H GLY 31 -9.800 -5.688 -7.424
208 HA2 GLY 31 2HA GLY 31 -8.604 -6.351 -10.005
209 HA3 GLY 31 1HA GLY 31 -9.499 -7.450 -8.963
210 H ARG 32 H ARG 32 -11.412 -7.983 -9.629
211 HA ARG 32 HA ARG 32 -13.144 -6.133 -11.023
212 HB2 ARG 32 2HB ARG 32 -11.950 -8.552 -12.388
213 HB3 ARG 32 1HB ARG 32 -13.454 -7.816 -12.923
214 HG2 ARG 32 2HG ARG 32 -12.370 -5.797 -13.509
215 HG3 ARG 32 1HG ARG 32 -10.878 -6.280 -12.700
216 HD2 ARG 32 2HD ARG 32 -12.075 -7.664 -15.096
217 HD3 ARG 32 1HD ARG 32 -10.772 -6.478 -15.165
218 HE ARG 32 HE ARG 32 -10.017 -8.501 -13.381
219 HH11 ARG 32 1HH1 ARG 32 -10.645 -8.107 -16.815
220 HH12 ARG 32 2HH1 ARG 32 -9.505 -9.327 -17.292
221 HH21 ARG 32 1HH2 ARG 32 -8.513 -10.098 -14.008
222 HH22 ARG 32 2HH2 ARG 32 -8.301 -10.462 -15.693
223 H GLY 33 H GLY 33 -15.283 -7.164 -11.492
224 HA2 GLY 33 2HA GLY 33 -17.092 -8.414 -10.823
225 HA3 GLY 33 1HA GLY 33 -15.966 -9.665 -10.332
226 H ASP 34 H ASP 34 -16.352 -10.215 -8.305
227 HA ASP 34 HA ASP 34 -17.275 -8.224 -6.390
228 HB2 ASP 34 2HB ASP 34 -17.741 -10.039 -4.919
229 HB3 ASP 34 1HB ASP 34 -18.233 -10.576 -6.521
230 H SER 35 H SER 35 -14.384 -9.522 -7.490
231 HA SER 35 HA SER 35 -12.965 -9.038 -4.968
232 HB2 SER 35 2HB SER 35 -12.675 -11.162 -6.441
233 HB3 SER 35 1HB SER 35 -11.739 -10.115 -7.505
234 HG SER 35 HG SER 35 -11.241 -10.593 -4.741
235 H LYS 36 H LYS 36 -13.819 -6.730 -5.788
236 HA LYS 36 HA LYS 36 -12.001 -5.598 -7.768
237 HB2 LYS 36 2HB LYS 36 -13.615 -3.574 -7.477
238 HB3 LYS 36 1HB LYS 36 -14.117 -4.981 -8.394
239 HG2 LYS 36 2HG LYS 36 -15.944 -4.297 -7.041
240 HG3 LYS 36 1HG LYS 36 -15.322 -5.799 -6.367
241 HD2 LYS 36 2HD LYS 36 -14.143 -4.543 -4.636
242 HD3 LYS 36 1HD LYS 36 -14.717 -3.027 -5.336
243 HE2 LYS 36 2HE LYS 36 -17.028 -3.701 -4.892
244 HE3 LYS 36 1HE LYS 36 -16.457 -5.216 -4.195
245 HZ1 LYS 36 3HZ LYS 36 -16.984 -3.559 -2.501
246 HZ2 LYS 36 1HZ LYS 36 -15.833 -2.504 -3.151
247 HZ3 LYS 36 2HZ LYS 36 -15.340 -3.975 -2.463
248 H ASN 37 H ASN 37 -12.286 -5.731 -4.419
249 HA ASN 37 HA ASN 37 -10.176 -3.789 -4.071
250 HB2 ASN 37 2HB ASN 37 -12.908 -3.066 -3.573
251 HB3 ASN 37 1HB ASN 37 -12.060 -3.157 -2.032
252 HD21 ASN 37 1HD2 ASN 37 -10.293 -1.823 -1.671
253 HD22 ASN 37 2HD2 ASN 37 -10.043 -0.397 -2.599
254 H GLN 38 H GLN 38 -8.761 -4.835 -2.799
255 HA GLN 38 HA GLN 38 -9.742 -6.090 -0.370
256 HB2 GLN 38 2HB GLN 38 -9.865 -7.921 -1.967
257 HB3 GLN 38 1HB GLN 38 -8.212 -7.631 -2.480
258 HG2 GLN 38 2HG GLN 38 -8.262 -9.554 -1.064
259 HG3 GLN 38 1HG GLN 38 -7.441 -8.257 -0.217
260 HE21 GLN 38 1HE2 GLN 38 -8.204 -7.602 1.710
261 HE22 GLN 38 2HE2 GLN 38 -9.635 -8.211 2.464
262 H CYS 39 H CYS 39 -8.348 -6.003 1.273
263 HA CYS 39 HA CYS 39 -5.721 -4.852 0.820
264 HB2 CYS 39 2HB CYS 39 -7.301 -5.446 3.311
265 HB3 CYS 39 1HB CYS 39 -5.638 -4.889 3.357
266 HG CYS 39 HG CYS 39 -8.076 -3.088 1.786
267 H VAL 40 H VAL 40 -4.581 -6.537 -0.123
268 HA VAL 40 HA VAL 40 -4.360 -9.061 1.294
269 HB VAL 40 HB VAL 40 -4.470 -8.810 -1.244
270 HG11 VAL 40 1HG1 VAL 40 -2.358 -8.416 -2.410
271 HG12 VAL 40 2HG1 VAL 40 -1.602 -7.988 -0.875
272 HG13 VAL 40 3HG1 VAL 40 -2.909 -6.995 -1.521
273 HG21 VAL 40 3HG2 VAL 40 -2.885 -10.660 -1.636
274 HG22 VAL 40 1HG2 VAL 40 -3.891 -10.917 -0.210
275 HG23 VAL 40 2HG2 VAL 40 -2.215 -10.399 -0.027
276 H THR 41 H THR 41 -2.259 -9.883 1.955
277 HA THR 41 HA THR 41 -0.768 -7.752 3.240
278 HB THR 41 HB THR 41 0.428 -9.671 4.372
279 HG1 THR 41 HG1 THR 41 -1.668 -11.194 3.156
280 HG21 THR 41 3HG2 THR 41 -2.575 -9.520 4.663
281 HG22 THR 41 1HG2 THR 41 -1.401 -8.468 5.451
282 HG23 THR 41 2HG2 THR 41 -1.459 -10.183 5.859
283 H GLY 42 H GLY 42 1.164 -7.085 2.721
284 HA2 GLY 42 2HA GLY 42 3.306 -8.491 1.705
285 HA3 GLY 42 1HA GLY 42 2.424 -7.907 0.298
286 H GLU 43 H GLU 43 3.534 -6.202 -0.472
287 HA GLU 43 HA GLU 43 3.799 -3.939 1.367
288 HB2 GLU 43 2HB GLU 43 5.937 -3.298 0.242
289 HB3 GLU 43 1HB GLU 43 6.044 -4.752 1.223
290 HG2 GLU 43 2HG GLU 43 5.989 -6.138 -0.735
291 HG3 GLU 43 1HG GLU 43 5.714 -4.733 -1.765
292 H GLY 44 H GLY 44 2.588 -2.371 0.641
293 HA2 GLY 44 2HA GLY 44 1.907 -2.279 -2.190
294 HA3 GLY 44 1HA GLY 44 1.123 -1.380 -0.901
295 H THR 45 H THR 45 1.242 0.577 -1.869
296 HA THR 45 HA THR 45 3.822 1.888 -1.817
297 HB THR 45 HB THR 45 2.673 0.959 -4.260
298 HG1 THR 45 HG1 THR 45 4.861 1.006 -4.084
299 HG21 THR 45 3HG2 THR 45 1.362 3.016 -4.345
300 HG22 THR 45 1HG2 THR 45 2.614 3.015 -5.586
301 HG23 THR 45 2HG2 THR 45 2.828 3.969 -4.118
302 HA PRO 46 HA PRO 46 1.265 5.212 -0.312
303 HB2 PRO 46 2HB PRO 46 3.231 7.002 -1.618
304 HB3 PRO 46 1HB PRO 46 2.734 6.920 0.076
305 HG2 PRO 46 2HG PRO 46 5.130 6.030 -0.704
306 HG3 PRO 46 1HG PRO 46 4.206 5.201 0.563
307 HD2 PRO 46 2HD PRO 46 4.554 4.463 -2.318
308 HD3 PRO 46 1HD PRO 46 4.533 3.418 -0.882
309 H LYS 47 H LYS 47 -0.564 5.626 -1.344
310 HA LYS 47 HA LYS 47 -0.689 6.096 -4.178
311 HB2 LYS 47 2HB LYS 47 -2.425 4.801 -2.923
312 HB3 LYS 47 1HB LYS 47 -2.874 6.286 -2.089
313 HG2 LYS 47 2HG LYS 47 -2.942 7.014 -4.729
314 HG3 LYS 47 1HG LYS 47 -3.539 5.357 -4.744
315 HD2 LYS 47 2HD LYS 47 -5.323 5.871 -3.294
316 HD3 LYS 47 1HD LYS 47 -4.610 7.423 -2.840
317 HE2 LYS 47 2HE LYS 47 -4.888 8.157 -5.202
318 HE3 LYS 47 1HE LYS 47 -5.738 6.652 -5.526
319 HZ1 LYS 47 3HZ LYS 47 -7.437 7.274 -3.970
320 HZ2 LYS 47 1HZ LYS 47 -7.252 8.512 -5.110
321 HZ3 LYS 47 2HZ LYS 47 -6.611 8.690 -3.546
322 HA PRO 48 HA PRO 48 -0.279 10.560 -3.546
323 HB2 PRO 48 2HB PRO 48 -0.835 10.554 -6.447
324 HB3 PRO 48 1HB PRO 48 0.513 11.268 -5.555
325 HG2 PRO 48 2HG PRO 48 0.845 9.070 -7.054
326 HG3 PRO 48 1HG PRO 48 1.710 9.280 -5.520
327 HD2 PRO 48 2HD PRO 48 -0.718 7.629 -6.116
328 HD3 PRO 48 1HD PRO 48 0.685 7.241 -5.097
329 H GLN 49 H GLN 49 -1.732 12.023 -3.208
330 HA GLN 49 HA GLN 49 -4.392 11.871 -4.374
331 HB2 GLN 49 2HB GLN 49 -5.263 11.935 -1.887
332 HB3 GLN 49 1HB GLN 49 -4.907 10.409 -2.676
333 HG2 GLN 49 2HG GLN 49 -2.618 10.537 -1.646
334 HG3 GLN 49 1HG GLN 49 -3.223 11.872 -0.675
335 HE21 GLN 49 1HE2 GLN 49 -2.236 9.277 0.124
336 HE22 GLN 49 2HE2 GLN 49 -3.504 8.515 1.023
337 H SER 50 H SER 50 -2.005 13.382 -2.370
338 HA SER 50 HA SER 50 -3.349 15.968 -2.843
339 HB2 SER 50 2HB SER 50 -2.033 16.764 -0.824
340 HB3 SER 50 1HB SER 50 -3.321 15.610 -0.475
341 HG SER 50 HG SER 50 -1.275 14.108 -0.908
342 H HIS 51 H HIS 51 -2.199 17.485 -3.925
343 HA HIS 51 HA HIS 51 0.197 16.701 -5.245
344 HB2 HIS 51 2HB HIS 51 -1.269 19.328 -5.095
345 HB3 HIS 51 1HB HIS 51 0.206 19.120 -6.025
346 HD1 HIS 51 HD1 HIS 51 -1.611 19.930 -7.923
347 HD2 HIS 51 HD2 HIS 51 -1.898 16.025 -6.519
348 HE1 HIS 51 HE1 HIS 51 -2.956 18.684 -9.645
349 HE2 HIS 51 HE2 HIS 51 -3.275 16.376 -8.685
Start of MODEL 2
1 H1 VAL 1 1H VAL 1 -5.562 12.905 8.416
2 H2 VAL 1 2H VAL 1 -5.027 11.890 9.660
3 H3 VAL 1 3H VAL 1 -6.690 12.122 9.409
4 HA VAL 1 HA VAL 1 -4.805 10.805 7.541
5 HB VAL 1 HB VAL 1 -6.198 8.770 7.999
6 HG11 VAL 1 1HG1 VAL 1 -3.995 9.027 8.982
7 HG12 VAL 1 2HG1 VAL 1 -5.081 8.242 10.129
8 HG13 VAL 1 3HG1 VAL 1 -4.675 9.948 10.322
9 HG21 VAL 1 3HG2 VAL 1 -7.503 8.686 10.069
10 HG22 VAL 1 1HG2 VAL 1 -8.160 9.882 8.952
11 HG23 VAL 1 2HG2 VAL 1 -7.197 10.403 10.335
12 H VAL 2 H VAL 2 -6.129 12.919 6.545
13 HA VAL 2 HA VAL 2 -8.695 12.040 5.488
14 HB VAL 2 HB VAL 2 -7.219 14.631 4.972
15 HG11 VAL 2 1HG1 VAL 2 -10.099 13.872 4.485
16 HG12 VAL 2 2HG1 VAL 2 -8.860 14.093 3.248
17 HG13 VAL 2 3HG1 VAL 2 -9.390 15.465 4.222
18 HG21 VAL 2 3HG2 VAL 2 -8.726 15.624 6.615
19 HG22 VAL 2 1HG2 VAL 2 -7.752 14.348 7.344
20 HG23 VAL 2 2HG2 VAL 2 -9.439 14.041 6.930
21 H TYR 3 H TYR 3 -8.081 10.347 4.166
22 HA TYR 3 HA TYR 3 -6.691 11.133 1.684
23 HB2 TYR 3 2HB TYR 3 -7.193 8.308 2.643
24 HB3 TYR 3 1HB TYR 3 -6.171 8.814 1.308
25 HD1 TYR 3 HD2 TYR 3 -4.126 10.351 1.991
26 HD2 TYR 3 HD1 TYR 3 -6.237 7.804 4.663
27 HE1 TYR 3 HE2 TYR 3 -2.176 10.310 3.492
28 HE2 TYR 3 HE1 TYR 3 -4.291 7.748 6.157
29 HH TYR 3 HH TYR 3 -1.939 8.093 6.121
30 H THR 4 H THR 4 -7.560 9.493 -0.129
31 HA THR 4 HA THR 4 -10.467 9.249 0.122
32 HB THR 4 HB THR 4 -10.366 9.304 -2.483
33 HG1 THR 4 HG1 THR 4 -8.195 11.051 -2.061
34 HG21 THR 4 3HG2 THR 4 -11.532 10.976 -1.156
35 HG22 THR 4 1HG2 THR 4 -10.663 11.748 -2.479
36 HG23 THR 4 2HG2 THR 4 -10.012 11.814 -0.840
37 H ASP 5 H ASP 5 -10.613 7.691 -2.341
38 HA ASP 5 HA ASP 5 -9.829 5.206 -1.077
39 HB2 ASP 5 2HB ASP 5 -11.365 5.665 -3.653
40 HB3 ASP 5 1HB ASP 5 -11.175 4.124 -2.830
41 H CYS 6 H CYS 6 -8.805 3.492 -2.339
42 HA CYS 6 HA CYS 6 -6.432 4.304 -3.607
43 HB2 CYS 6 2HB CYS 6 -7.725 1.598 -3.895
44 HB3 CYS 6 1HB CYS 6 -6.014 1.998 -3.990
45 HG CYS 6 HG CYS 6 -5.529 2.185 -1.384
46 H THR 7 H THR 7 -5.866 4.520 -5.712
47 HA THR 7 HA THR 7 -8.069 4.402 -7.651
48 HB THR 7 HB THR 7 -6.902 6.592 -7.183
49 HG1 THR 7 HG1 THR 7 -6.610 5.791 -9.904
50 HG21 THR 7 3HG2 THR 7 -4.754 7.001 -8.273
51 HG22 THR 7 1HG2 THR 7 -4.658 5.298 -8.723
52 HG23 THR 7 2HG2 THR 7 -4.615 5.764 -7.023
53 H GLU 8 H GLU 8 -5.191 2.924 -6.733
54 HA GLU 8 HA GLU 8 -4.998 1.480 -9.268
55 HB2 GLU 8 2HB GLU 8 -2.841 3.022 -7.874
56 HB3 GLU 8 1HB GLU 8 -2.430 1.643 -8.872
57 HG2 GLU 8 2HG GLU 8 -4.084 3.932 -9.887
58 HG3 GLU 8 1HG GLU 8 -2.323 3.932 -9.949
59 H SER 9 H SER 9 -3.951 -0.567 -9.098
60 HA SER 9 HA SER 9 -4.368 -1.801 -6.498
61 HB2 SER 9 2HB SER 9 -3.530 -3.066 -9.123
62 HB3 SER 9 1HB SER 9 -4.143 -3.904 -7.693
63 HG SER 9 HG SER 9 -5.515 -2.191 -9.478
64 H GLY 10 H GLY 10 -2.770 -2.332 -5.134
65 HA2 GLY 10 2HA GLY 10 -0.493 -3.055 -4.701
66 HA3 GLY 10 1HA GLY 10 0.011 -2.141 -6.120
67 H GLN 11 H GLN 11 -2.182 -0.229 -4.884
68 HA GLN 11 HA GLN 11 -0.263 1.396 -3.415
69 HB2 GLN 11 2HB GLN 11 -2.703 1.873 -4.934
70 HB3 GLN 11 1HB GLN 11 -2.742 2.691 -3.373
71 HG2 GLN 11 2HG GLN 11 -1.466 4.266 -4.159
72 HG3 GLN 11 1HG GLN 11 -0.183 3.113 -4.477
73 HE21 GLN 11 1HE2 GLN 11 -2.800 4.954 -5.797
74 HE22 GLN 11 2HE2 GLN 11 -2.391 4.724 -7.461
75 H ASN 12 H ASN 12 -0.873 2.310 -1.289
76 HA ASN 12 HA ASN 12 -2.705 0.536 0.154
77 HB2 ASN 12 2HB ASN 12 -1.081 0.757 2.137
78 HB3 ASN 12 1HB ASN 12 -0.757 -0.414 0.872
79 HD21 ASN 12 1HD2 ASN 12 1.395 -0.456 1.513
80 HD22 ASN 12 2HD2 ASN 12 2.498 0.801 1.067
81 H LEU 13 H LEU 13 -0.800 3.480 0.711
82 HA LEU 13 HA LEU 13 -2.252 4.440 2.893
83 HB2 LEU 13 2HB LEU 13 -0.597 5.938 0.869
84 HB3 LEU 13 1HB LEU 13 -1.169 6.623 2.377
85 HG LEU 13 HG LEU 13 0.663 4.227 2.202
86 HD11 LEU 13 1HD1 LEU 13 2.435 5.772 2.890
87 HD12 LEU 13 2HD1 LEU 13 1.310 7.122 2.750
88 HD13 LEU 13 3HD1 LEU 13 1.770 6.205 1.315
89 HD21 LEU 13 3HD2 LEU 13 1.015 4.621 4.572
90 HD22 LEU 13 1HD2 LEU 13 -0.699 4.364 4.246
91 HD23 LEU 13 2HD2 LEU 13 -0.090 5.994 4.528
92 H CYS 14 H CYS 14 -4.339 3.831 1.689
93 HA CYS 14 HA CYS 14 -5.760 6.294 1.168
94 HB2 CYS 14 2HB CYS 14 -6.779 4.892 -0.914
95 HB3 CYS 14 1HB CYS 14 -5.483 6.057 -1.086
96 HG CYS 14 HG CYS 14 -4.148 3.185 -0.302
97 H LEU 15 H LEU 15 -8.214 5.747 0.980
98 HA LEU 15 HA LEU 15 -8.822 3.715 2.960
99 HB2 LEU 15 2HB LEU 15 -11.073 4.866 1.441
100 HB3 LEU 15 1HB LEU 15 -10.885 4.623 3.162
101 HG LEU 15 HG LEU 15 -9.641 6.900 1.612
102 HD11 LEU 15 1HD1 LEU 15 -12.060 7.090 1.632
103 HD12 LEU 15 2HD1 LEU 15 -11.341 8.289 2.708
104 HD13 LEU 15 3HD1 LEU 15 -12.084 6.836 3.377
105 HD21 LEU 15 3HD2 LEU 15 -9.200 7.853 3.811
106 HD22 LEU 15 1HD2 LEU 15 -8.395 6.296 3.632
107 HD23 LEU 15 2HD2 LEU 15 -9.876 6.419 4.583
108 H CYS 16 H CYS 16 -8.891 1.691 2.362
109 HA CYS 16 HA CYS 16 -9.599 1.031 -0.370
110 HB2 CYS 16 2HB CYS 16 -7.525 0.072 0.374
111 HB3 CYS 16 1HB CYS 16 -8.288 -0.575 1.817
112 HG CYS 16 HG CYS 16 -8.532 -1.701 -1.384
113 H GLU 17 H GLU 17 -10.073 -0.735 2.646
114 HA GLU 17 HA GLU 17 -12.531 -1.842 1.584
115 HB2 GLU 17 2HB GLU 17 -10.595 -2.851 3.170
116 HB3 GLU 17 1HB GLU 17 -11.799 -2.359 4.349
117 HG2 GLU 17 2HG GLU 17 -12.395 -4.152 2.012
118 HG3 GLU 17 1HG GLU 17 -11.949 -4.745 3.611
119 H GLY 18 H GLY 18 -14.291 -0.826 1.838
120 HA2 GLY 18 2HA GLY 18 -15.865 0.708 2.524
121 HA3 GLY 18 1HA GLY 18 -15.516 0.075 4.126
122 H SER 19 H SER 19 -14.184 1.207 5.497
123 HA SER 19 HA SER 19 -13.317 3.872 4.592
124 HB2 SER 19 2HB SER 19 -13.582 4.260 7.205
125 HB3 SER 19 1HB SER 19 -14.960 4.423 6.113
126 HG SER 19 HG SER 19 -14.359 2.432 7.986
127 H ASN 20 H ASN 20 -12.158 0.937 5.335
128 HA ASN 20 HA ASN 20 -10.198 1.479 7.306
129 HB2 ASN 20 2HB ASN 20 -10.498 -0.727 5.282
130 HB3 ASN 20 1HB ASN 20 -9.116 -0.644 6.371
131 HD21 ASN 20 1HD2 ASN 20 -12.552 -1.104 6.128
132 HD22 ASN 20 2HD2 ASN 20 -12.772 -1.741 7.720
133 H VAL 21 H VAL 21 -8.380 2.447 7.187
134 HA VAL 21 HA VAL 21 -7.361 3.360 4.615
135 HB VAL 21 HB VAL 21 -6.252 3.919 7.378
136 HG11 VAL 21 1HG1 VAL 21 -5.826 5.286 4.726
137 HG12 VAL 21 2HG1 VAL 21 -4.651 4.314 5.612
138 HG13 VAL 21 3HG1 VAL 21 -5.202 5.853 6.274
139 HG21 VAL 21 3HG2 VAL 21 -8.202 5.541 5.756
140 HG22 VAL 21 1HG2 VAL 21 -7.422 6.075 7.242
141 HG23 VAL 21 2HG2 VAL 21 -8.538 4.710 7.274
142 H CYS 22 H CYS 22 -6.159 1.877 3.575
143 HA CYS 22 HA CYS 22 -4.544 -0.031 4.972
144 HB2 CYS 22 2HB CYS 22 -5.496 0.245 2.328
145 HB3 CYS 22 1HB CYS 22 -3.739 0.270 2.222
146 HG CYS 22 HG CYS 22 -5.663 -2.203 3.581
147 H GLY 23 H GLY 23 -2.278 -0.143 5.001
148 HA2 GLY 23 2HA GLY 23 -0.819 2.286 4.277
149 HA3 GLY 23 1HA GLY 23 -0.772 1.764 5.958
150 H GLN 24 H GLN 24 1.443 1.317 5.980
151 HA GLN 24 HA GLN 24 2.492 -0.424 3.902
152 HB2 GLN 24 2HB GLN 24 3.778 1.571 4.741
153 HB3 GLN 24 1HB GLN 24 3.984 0.719 6.266
154 HG2 GLN 24 2HG GLN 24 5.189 -1.051 5.163
155 HG3 GLN 24 1HG GLN 24 4.908 -0.305 3.594
156 HE21 GLN 24 1HE2 GLN 24 5.675 1.524 6.467
157 HE22 GLN 24 2HE2 GLN 24 7.273 1.993 5.974
158 H GLY 25 H GLY 25 3.084 -2.496 4.177
159 HA2 GLY 25 2HA GLY 25 3.339 -4.490 5.471
160 HA3 GLY 25 1HA GLY 25 2.347 -3.760 6.733
161 H ASN 26 H ASN 26 0.854 -2.731 4.187
162 HA ASN 26 HA ASN 26 -0.544 -5.199 3.457
163 HB2 ASN 26 2HB ASN 26 -1.872 -2.556 4.117
164 HB3 ASN 26 1HB ASN 26 -2.685 -3.961 3.437
165 HD21 ASN 26 1HD2 ASN 26 -1.334 -2.538 6.275
166 HD22 ASN 26 2HD2 ASN 26 -1.917 -3.721 7.394
167 H LYS 27 H LYS 27 -1.841 -4.854 1.446
168 HA LYS 27 HA LYS 27 -0.957 -2.679 -0.251
169 HB2 LYS 27 2HB LYS 27 0.772 -4.351 -0.597
170 HB3 LYS 27 1HB LYS 27 -0.439 -5.589 -0.892
171 HG2 LYS 27 2HG LYS 27 -0.889 -4.838 -3.003
172 HG3 LYS 27 1HG LYS 27 -0.403 -3.181 -2.635
173 HD2 LYS 27 2HD LYS 27 1.200 -4.278 -4.127
174 HD3 LYS 27 1HD LYS 27 1.931 -3.856 -2.579
175 HE2 LYS 27 2HE LYS 27 2.696 -6.029 -3.108
176 HE3 LYS 27 1HE LYS 27 1.479 -6.222 -1.847
177 HZ1 LYS 27 3HZ LYS 27 1.291 -7.846 -3.671
178 HZ2 LYS 27 1HZ LYS 27 0.959 -6.582 -4.751
179 HZ3 LYS 27 2HZ LYS 27 -0.112 -6.923 -3.480
180 H CYS 28 H CYS 28 -2.804 -1.942 -1.194
181 HA CYS 28 HA CYS 28 -5.121 -3.699 -1.229
182 HB2 CYS 28 2HB CYS 28 -5.581 -1.510 -0.374
183 HB3 CYS 28 1HB CYS 28 -4.816 -0.749 -1.762
184 HG CYS 28 HG CYS 28 -7.315 -0.193 -2.377
185 H ILE 29 H ILE 29 -5.767 -4.740 -2.943
186 HA ILE 29 HA ILE 29 -5.012 -3.723 -5.592
187 HB ILE 29 HB ILE 29 -5.229 -6.129 -6.367
188 HG12 ILE 29 2HG1 ILE 29 -4.919 -6.665 -3.405
189 HG13 ILE 29 1HG1 ILE 29 -6.381 -6.959 -4.342
190 HG21 ILE 29 1HG2 ILE 29 -2.939 -6.677 -5.758
191 HG22 ILE 29 2HG2 ILE 29 -2.981 -5.478 -4.466
192 HG23 ILE 29 3HG2 ILE 29 -3.085 -4.962 -6.149
193 HD11 ILE 29 3HD1 ILE 29 -5.189 -8.605 -5.687
194 HD12 ILE 29 1HD1 ILE 29 -5.141 -9.007 -3.971
195 HD13 ILE 29 2HD1 ILE 29 -3.724 -8.307 -4.752
196 H LEU 30 H LEU 30 -6.652 -3.142 -6.783
197 HA LEU 30 HA LEU 30 -9.346 -3.576 -5.950
198 HB2 LEU 30 2HB LEU 30 -8.169 -2.266 -8.402
199 HB3 LEU 30 1HB LEU 30 -9.893 -2.385 -8.113
200 HG LEU 30 HG LEU 30 -9.435 -1.147 -5.915
201 HD11 LEU 30 1HD1 LEU 30 -7.464 0.306 -5.925
202 HD12 LEU 30 2HD1 LEU 30 -6.869 -0.526 -7.361
203 HD13 LEU 30 3HD1 LEU 30 -7.032 -1.402 -5.839
204 HD21 LEU 30 3HD2 LEU 30 -9.519 1.024 -7.037
205 HD22 LEU 30 1HD2 LEU 30 -10.583 -0.151 -7.812
206 HD23 LEU 30 2HD2 LEU 30 -9.033 0.257 -8.550
207 H GLY 31 H GLY 31 -9.648 -5.799 -6.031
208 HA2 GLY 31 2HA GLY 31 -10.997 -7.202 -7.564
209 HA3 GLY 31 1HA GLY 31 -9.683 -6.972 -8.690
210 H ARG 32 H ARG 32 -10.984 -9.003 -6.486
211 HA ARG 32 HA ARG 32 -8.665 -10.734 -6.546
212 HB2 ARG 32 2HB ARG 32 -8.480 -9.201 -4.489
213 HB3 ARG 32 1HB ARG 32 -9.876 -10.064 -3.864
214 HG2 ARG 32 2HG ARG 32 -7.871 -10.989 -2.924
215 HG3 ARG 32 1HG ARG 32 -8.603 -12.169 -4.014
216 HD2 ARG 32 2HD ARG 32 -7.000 -11.765 -5.693
217 HD3 ARG 32 1HD ARG 32 -6.431 -10.293 -4.906
218 HE ARG 32 HE ARG 32 -6.077 -12.584 -3.243
219 HH11 ARG 32 1HH1 ARG 32 -4.694 -10.928 -6.015
220 HH12 ARG 32 2HH1 ARG 32 -3.084 -11.501 -5.704
221 HH21 ARG 32 1HH2 ARG 32 -3.973 -13.322 -2.836
222 HH22 ARG 32 2HH2 ARG 32 -2.672 -12.867 -3.903
223 H GLY 33 H GLY 33 -10.194 -11.859 -7.881
224 HA2 GLY 33 2HA GLY 33 -11.640 -13.662 -8.134
225 HA3 GLY 33 1HA GLY 33 -11.913 -13.649 -6.396
226 H ASP 34 H ASP 34 -13.565 -12.411 -5.529
227 HA ASP 34 HA ASP 34 -15.299 -11.050 -7.484
228 HB2 ASP 34 2HB ASP 34 -17.237 -11.675 -6.227
229 HB3 ASP 34 1HB ASP 34 -16.289 -13.137 -6.464
230 H SER 35 H SER 35 -13.027 -10.340 -5.507
231 HA SER 35 HA SER 35 -14.302 -8.362 -3.822
232 HB2 SER 35 2HB SER 35 -12.347 -9.722 -3.021
233 HB3 SER 35 1HB SER 35 -11.352 -8.924 -4.243
234 HG SER 35 HG SER 35 -12.813 -7.475 -2.288
235 H LYS 36 H LYS 36 -13.877 -6.168 -3.977
236 HA LYS 36 HA LYS 36 -13.436 -5.292 -6.736
237 HB2 LYS 36 2HB LYS 36 -14.619 -3.752 -4.413
238 HB3 LYS 36 1HB LYS 36 -14.558 -3.217 -6.085
239 HG2 LYS 36 2HG LYS 36 -16.711 -3.963 -5.982
240 HG3 LYS 36 1HG LYS 36 -15.902 -5.441 -6.503
241 HD2 LYS 36 2HD LYS 36 -15.812 -6.194 -4.159
242 HD3 LYS 36 1HD LYS 36 -16.671 -4.735 -3.669
243 HE2 LYS 36 2HE LYS 36 -18.236 -6.544 -3.811
244 HE3 LYS 36 1HE LYS 36 -18.552 -5.424 -5.135
245 HZ1 LYS 36 3HZ LYS 36 -17.351 -6.903 -6.624
246 HZ2 LYS 36 1HZ LYS 36 -18.632 -7.722 -5.876
247 HZ3 LYS 36 2HZ LYS 36 -17.044 -7.975 -5.349
248 H ASN 37 H ASN 37 -12.442 -4.650 -3.446
249 HA ASN 37 HA ASN 37 -9.792 -3.900 -4.289
250 HB2 ASN 37 2HB ASN 37 -9.892 -1.877 -2.763
251 HB3 ASN 37 1HB ASN 37 -10.757 -1.735 -4.285
252 HD21 ASN 37 1HD2 ASN 37 -11.068 -2.084 -0.845
253 HD22 ASN 37 2HD2 ASN 37 -12.728 -1.620 -0.754
254 H GLN 38 H GLN 38 -8.465 -5.042 -3.003
255 HA GLN 38 HA GLN 38 -9.521 -5.856 -0.371
256 HB2 GLN 38 2HB GLN 38 -9.536 -7.712 -1.992
257 HB3 GLN 38 1HB GLN 38 -7.812 -7.493 -2.253
258 HG2 GLN 38 2HG GLN 38 -7.833 -9.231 -0.762
259 HG3 GLN 38 1HG GLN 38 -7.649 -7.853 0.314
260 HE21 GLN 38 1HE2 GLN 38 -10.506 -7.100 -0.093
261 HE22 GLN 38 2HE2 GLN 38 -11.396 -8.210 0.893
262 H CYS 39 H CYS 39 -8.225 -5.656 1.342
263 HA CYS 39 HA CYS 39 -5.595 -4.500 0.984
264 HB2 CYS 39 2HB CYS 39 -7.303 -4.983 3.416
265 HB3 CYS 39 1HB CYS 39 -5.666 -4.356 3.506
266 HG CYS 39 HG CYS 39 -7.583 -2.614 1.414
267 H VAL 40 H VAL 40 -4.481 -6.294 0.137
268 HA VAL 40 HA VAL 40 -4.366 -8.736 1.710
269 HB VAL 40 HB VAL 40 -4.386 -8.553 -0.876
270 HG11 VAL 40 1HG1 VAL 40 -2.605 -6.950 -1.137
271 HG12 VAL 40 2HG1 VAL 40 -2.165 -8.470 -1.916
272 HG13 VAL 40 3HG1 VAL 40 -1.467 -8.045 -0.353
273 HG21 VAL 40 3HG2 VAL 40 -2.368 -10.332 0.485
274 HG22 VAL 40 1HG2 VAL 40 -3.079 -10.602 -1.105
275 HG23 VAL 40 2HG2 VAL 40 -4.096 -10.650 0.336
276 H THR 41 H THR 41 -2.115 -9.640 2.154
277 HA THR 41 HA THR 41 -0.691 -7.560 3.582
278 HB THR 41 HB THR 41 0.583 -9.498 4.560
279 HG1 THR 41 HG1 THR 41 -0.522 -11.583 4.212
280 HG21 THR 41 3HG2 THR 41 -1.266 -10.228 5.988
281 HG22 THR 41 1HG2 THR 41 -2.423 -9.567 4.832
282 HG23 THR 41 2HG2 THR 41 -1.333 -8.488 5.702
283 H GLY 42 H GLY 42 1.173 -6.786 3.102
284 HA2 GLY 42 2HA GLY 42 3.381 -7.936 1.985
285 HA3 GLY 42 1HA GLY 42 2.440 -7.371 0.605
286 H GLU 43 H GLU 43 3.725 -5.680 -0.022
287 HA GLU 43 HA GLU 43 3.561 -3.372 1.753
288 HB2 GLU 43 2HB GLU 43 6.098 -4.186 0.317
289 HB3 GLU 43 1HB GLU 43 5.852 -2.646 1.130
290 HG2 GLU 43 2HG GLU 43 5.316 -4.133 3.196
291 HG3 GLU 43 1HG GLU 43 6.192 -5.370 2.298
292 H GLY 44 H GLY 44 2.363 -1.993 0.711
293 HA2 GLY 44 2HA GLY 44 2.153 -2.130 -2.165
294 HA3 GLY 44 1HA GLY 44 1.156 -1.171 -1.081
295 H THR 45 H THR 45 1.384 0.591 -2.434
296 HA THR 45 HA THR 45 3.965 1.968 -2.234
297 HB THR 45 HB THR 45 2.585 2.769 -4.615
298 HG1 THR 45 HG1 THR 45 2.391 0.119 -4.103
299 HG21 THR 45 3HG2 THR 45 4.694 2.174 -5.690
300 HG22 THR 45 1HG2 THR 45 5.194 1.294 -4.245
301 HG23 THR 45 2HG2 THR 45 4.986 3.044 -4.184
302 HA PRO 46 HA PRO 46 1.497 5.359 -0.683
303 HB2 PRO 46 2HB PRO 46 3.501 6.982 -2.185
304 HB3 PRO 46 1HB PRO 46 2.974 7.127 -0.503
305 HG2 PRO 46 2HG PRO 46 5.344 6.066 -1.090
306 HG3 PRO 46 1HG PRO 46 4.345 5.395 0.214
307 HD2 PRO 46 2HD PRO 46 4.801 4.360 -2.553
308 HD3 PRO 46 1HD PRO 46 4.625 3.465 -1.029
309 H LYS 47 H LYS 47 -0.122 6.636 -1.583
310 HA LYS 47 HA LYS 47 -0.700 5.878 -4.303
311 HB2 LYS 47 2HB LYS 47 -2.377 5.584 -2.508
312 HB3 LYS 47 1HB LYS 47 -2.411 7.323 -2.260
313 HG2 LYS 47 2HG LYS 47 -2.992 7.339 -4.819
314 HG3 LYS 47 1HG LYS 47 -3.509 5.697 -4.469
315 HD2 LYS 47 2HD LYS 47 -5.155 6.387 -2.976
316 HD3 LYS 47 1HD LYS 47 -4.410 7.967 -2.736
317 HE2 LYS 47 2HE LYS 47 -4.971 8.477 -5.130
318 HE3 LYS 47 1HE LYS 47 -5.898 6.980 -5.164
319 HZ1 LYS 47 3HZ LYS 47 -7.334 7.815 -3.462
320 HZ2 LYS 47 1HZ LYS 47 -7.264 8.961 -4.707
321 HZ3 LYS 47 2HZ LYS 47 -6.399 9.216 -3.268
322 HA PRO 48 HA PRO 48 0.646 9.910 -5.777
323 HB2 PRO 48 2HB PRO 48 -0.142 8.743 -8.361
324 HB3 PRO 48 1HB PRO 48 1.417 9.396 -7.855
325 HG2 PRO 48 2HG PRO 48 1.043 6.762 -8.211
326 HG3 PRO 48 1HG PRO 48 2.112 7.391 -6.943
327 HD2 PRO 48 2HD PRO 48 -0.690 6.351 -6.716
328 HD3 PRO 48 1HD PRO 48 0.702 6.080 -5.647
329 H GLN 49 H GLN 49 -0.459 11.655 -6.471
330 HA GLN 49 HA GLN 49 -3.227 11.579 -7.215
331 HB2 GLN 49 2HB GLN 49 -3.903 12.729 -4.986
332 HB3 GLN 49 1HB GLN 49 -3.757 10.974 -5.017
333 HG2 GLN 49 2HG GLN 49 -1.471 11.196 -4.108
334 HG3 GLN 49 1HG GLN 49 -1.714 12.933 -3.983
335 HE21 GLN 49 1HE2 GLN 49 -1.148 10.913 -1.949
336 HE22 GLN 49 2HE2 GLN 49 -2.407 11.061 -0.772
337 H SER 50 H SER 50 -0.927 13.464 -5.337
338 HA SER 50 HA SER 50 -0.953 15.610 -7.273
339 HB2 SER 50 2HB SER 50 -2.826 16.158 -5.710
340 HB3 SER 50 1HB SER 50 -1.692 16.080 -4.364
341 HG SER 50 HG SER 50 -1.141 17.771 -6.548
342 H HIS 51 H HIS 51 0.938 16.931 -7.026
343 HA HIS 51 HA HIS 51 3.228 15.573 -6.506
344 HB2 HIS 51 2HB HIS 51 4.360 17.690 -6.632
345 HB3 HIS 51 1HB HIS 51 3.060 17.663 -7.792
346 HD1 HIS 51 HD1 HIS 51 4.558 20.179 -6.380
347 HD2 HIS 51 HD2 HIS 51 0.695 18.784 -5.696
348 HE1 HIS 51 HE1 HIS 51 3.281 22.133 -5.453
349 HE2 HIS 51 HE2 HIS 51 0.963 21.266 -4.997
Start of MODEL 3
1 H1 VAL 1 1H VAL 1 -5.906 13.569 9.511
2 H2 VAL 1 2H VAL 1 -4.476 12.854 10.065
3 H3 VAL 1 3H VAL 1 -5.808 11.886 9.656
4 HA VAL 1 HA VAL 1 -4.261 13.574 7.775
5 HB VAL 1 HB VAL 1 -3.530 11.436 6.774
6 HG11 VAL 1 1HG1 VAL 1 -2.841 11.723 9.695
7 HG12 VAL 1 2HG1 VAL 1 -2.072 12.572 8.355
8 HG13 VAL 1 3HG1 VAL 1 -1.904 10.825 8.501
9 HG21 VAL 1 3HG2 VAL 1 -4.800 10.162 9.198
10 HG22 VAL 1 1HG2 VAL 1 -3.802 9.336 8.000
11 HG23 VAL 1 2HG2 VAL 1 -5.365 10.010 7.537
12 H VAL 2 H VAL 2 -5.012 13.554 5.618
13 HA VAL 2 HA VAL 2 -7.738 12.458 5.313
14 HB VAL 2 HB VAL 2 -6.687 14.995 4.046
15 HG11 VAL 2 1HG1 VAL 2 -9.016 15.334 3.358
16 HG12 VAL 2 2HG1 VAL 2 -9.441 13.768 4.052
17 HG13 VAL 2 3HG1 VAL 2 -8.341 13.853 2.678
18 HG21 VAL 2 3HG2 VAL 2 -8.228 16.178 5.533
19 HG22 VAL 2 1HG2 VAL 2 -7.007 15.293 6.446
20 HG23 VAL 2 2HG2 VAL 2 -8.644 14.654 6.314
21 H TYR 3 H TYR 3 -7.274 10.637 4.220
22 HA TYR 3 HA TYR 3 -5.641 10.853 1.793
23 HB2 TYR 3 2HB TYR 3 -6.511 8.435 3.391
24 HB3 TYR 3 1HB TYR 3 -5.663 8.338 1.850
25 HD1 TYR 3 HD2 TYR 3 -3.585 10.295 1.985
26 HD2 TYR 3 HD1 TYR 3 -5.084 7.813 5.099
27 HE1 TYR 3 HE2 TYR 3 -1.432 10.474 3.155
28 HE2 TYR 3 HE1 TYR 3 -2.931 7.985 6.277
29 HH TYR 3 HH TYR 3 -0.558 10.270 5.448
30 H THR 4 H THR 4 -6.578 8.823 0.294
31 HA THR 4 HA THR 4 -9.338 9.590 -0.297
32 HB THR 4 HB THR 4 -8.480 9.367 -2.777
33 HG1 THR 4 HG1 THR 4 -6.118 10.338 -1.503
34 HG21 THR 4 3HG2 THR 4 -9.447 11.405 -1.841
35 HG22 THR 4 1HG2 THR 4 -8.043 11.788 -2.838
36 HG23 THR 4 2HG2 THR 4 -7.906 11.802 -1.080
37 H ASP 5 H ASP 5 -9.872 8.027 -2.423
38 HA ASP 5 HA ASP 5 -9.721 5.386 -1.215
39 HB2 ASP 5 2HB ASP 5 -11.202 6.278 -3.705
40 HB3 ASP 5 1HB ASP 5 -11.392 4.734 -2.888
41 H CYS 6 H CYS 6 -8.837 3.582 -2.215
42 HA CYS 6 HA CYS 6 -6.499 3.995 -3.699
43 HB2 CYS 6 2HB CYS 6 -8.037 1.410 -3.631
44 HB3 CYS 6 1HB CYS 6 -6.309 1.634 -3.865
45 HG CYS 6 HG CYS 6 -8.078 1.975 -0.958
46 H THR 7 H THR 7 -6.066 4.079 -5.797
47 HA THR 7 HA THR 7 -8.332 3.800 -7.660
48 HB THR 7 HB THR 7 -5.801 5.389 -8.083
49 HG1 THR 7 HG1 THR 7 -8.183 6.021 -6.733
50 HG21 THR 7 3HG2 THR 7 -7.133 6.569 -9.778
51 HG22 THR 7 1HG2 THR 7 -8.518 5.538 -9.410
52 HG23 THR 7 2HG2 THR 7 -7.063 4.843 -10.123
53 H GLU 8 H GLU 8 -5.457 2.406 -6.675
54 HA GLU 8 HA GLU 8 -5.057 1.051 -9.231
55 HB2 GLU 8 2HB GLU 8 -3.030 2.573 -7.624
56 HB3 GLU 8 1HB GLU 8 -2.533 1.271 -8.684
57 HG2 GLU 8 2HG GLU 8 -3.475 2.438 -10.593
58 HG3 GLU 8 1HG GLU 8 -4.060 3.721 -9.533
59 H SER 9 H SER 9 -3.951 -0.926 -9.073
60 HA SER 9 HA SER 9 -4.355 -2.290 -6.539
61 HB2 SER 9 2HB SER 9 -3.458 -3.369 -9.227
62 HB3 SER 9 1HB SER 9 -3.920 -4.332 -7.821
63 HG SER 9 HG SER 9 -5.515 -2.788 -9.538
64 H GLY 10 H GLY 10 -2.778 -2.513 -5.127
65 HA2 GLY 10 2HA GLY 10 -0.462 -3.117 -4.665
66 HA3 GLY 10 1HA GLY 10 0.003 -2.225 -6.106
67 H GLN 11 H GLN 11 -2.374 -0.472 -4.706
68 HA GLN 11 HA GLN 11 -0.459 1.259 -3.324
69 HB2 GLN 11 2HB GLN 11 -2.976 1.680 -4.716
70 HB3 GLN 11 1HB GLN 11 -3.002 2.419 -3.112
71 HG2 GLN 11 2HG GLN 11 -1.964 4.132 -4.051
72 HG3 GLN 11 1HG GLN 11 -0.537 3.111 -4.077
73 HE21 GLN 11 1HE2 GLN 11 -3.014 4.609 -5.898
74 HE22 GLN 11 2HE2 GLN 11 -2.367 4.253 -7.463
75 H ASN 12 H ASN 12 -1.042 2.112 -1.148
76 HA ASN 12 HA ASN 12 -2.767 0.267 0.330
77 HB2 ASN 12 2HB ASN 12 -1.064 0.374 2.233
78 HB3 ASN 12 1HB ASN 12 -0.754 -0.707 0.888
79 HD21 ASN 12 1HD2 ASN 12 1.390 -0.730 1.549
80 HD22 ASN 12 2HD2 ASN 12 2.473 0.558 1.141
81 H LEU 13 H LEU 13 -0.791 3.172 0.852
82 HA LEU 13 HA LEU 13 -2.258 4.159 3.033
83 HB2 LEU 13 2HB LEU 13 -0.418 5.506 1.071
84 HB3 LEU 13 1HB LEU 13 -1.140 6.364 2.419
85 HG LEU 13 HG LEU 13 0.572 3.905 2.757
86 HD11 LEU 13 1HD1 LEU 13 1.373 6.807 2.971
87 HD12 LEU 13 2HD1 LEU 13 1.868 5.692 1.697
88 HD13 LEU 13 3HD1 LEU 13 2.385 5.414 3.359
89 HD21 LEU 13 3HD2 LEU 13 -0.224 6.062 4.706
90 HD22 LEU 13 1HD2 LEU 13 0.705 4.607 5.059
91 HD23 LEU 13 2HD2 LEU 13 -0.989 4.480 4.592
92 H CYS 14 H CYS 14 -4.280 3.545 1.731
93 HA CYS 14 HA CYS 14 -5.672 6.019 1.226
94 HB2 CYS 14 2HB CYS 14 -6.683 4.726 -0.890
95 HB3 CYS 14 1HB CYS 14 -5.302 5.802 -1.033
96 HG CYS 14 HG CYS 14 -5.205 2.382 -0.862
97 H LEU 15 H LEU 15 -8.082 5.570 1.125
98 HA LEU 15 HA LEU 15 -8.720 3.401 2.923
99 HB2 LEU 15 2HB LEU 15 -11.150 4.383 1.984
100 HB3 LEU 15 1HB LEU 15 -10.360 4.785 3.490
101 HG LEU 15 HG LEU 15 -9.738 6.353 1.005
102 HD11 LEU 15 1HD1 LEU 15 -12.174 6.337 1.226
103 HD12 LEU 15 2HD1 LEU 15 -11.507 7.919 1.626
104 HD13 LEU 15 3HD1 LEU 15 -12.028 6.833 2.912
105 HD21 LEU 15 3HD2 LEU 15 -9.245 8.102 2.628
106 HD22 LEU 15 1HD2 LEU 15 -8.322 6.643 2.994
107 HD23 LEU 15 2HD2 LEU 15 -9.754 7.046 3.947
108 H CYS 16 H CYS 16 -8.452 1.497 2.003
109 HA CYS 16 HA CYS 16 -9.166 0.895 -0.686
110 HB2 CYS 16 2HB CYS 16 -7.342 -0.315 0.277
111 HB3 CYS 16 1HB CYS 16 -8.313 -0.792 1.662
112 HG CYS 16 HG CYS 16 -8.619 -1.961 -1.536
113 H GLU 17 H GLU 17 -10.203 -0.880 2.166
114 HA GLU 17 HA GLU 17 -12.798 -1.365 0.970
115 HB2 GLU 17 2HB GLU 17 -11.373 -3.013 2.379
116 HB3 GLU 17 1HB GLU 17 -11.968 -2.104 3.762
117 HG2 GLU 17 2HG GLU 17 -14.268 -2.628 3.102
118 HG3 GLU 17 1HG GLU 17 -13.648 -3.580 1.752
119 H GLY 18 H GLY 18 -14.766 -0.766 1.983
120 HA2 GLY 18 2HA GLY 18 -15.986 1.204 2.624
121 HA3 GLY 18 1HA GLY 18 -15.766 0.242 4.070
122 H SER 19 H SER 19 -14.353 0.931 5.665
123 HA SER 19 HA SER 19 -13.262 3.643 5.301
124 HB2 SER 19 2HB SER 19 -13.526 3.775 7.844
125 HB3 SER 19 1HB SER 19 -15.008 3.840 6.891
126 HG SER 19 HG SER 19 -15.499 2.330 8.340
127 H ASN 20 H ASN 20 -12.171 0.784 5.035
128 HA ASN 20 HA ASN 20 -10.106 0.659 7.037
129 HB2 ASN 20 2HB ASN 20 -10.668 -0.930 4.545
130 HB3 ASN 20 1HB ASN 20 -9.216 -1.183 5.513
131 HD21 ASN 20 1HD2 ASN 20 -12.702 -1.256 5.544
132 HD22 ASN 20 2HD2 ASN 20 -12.853 -2.315 6.889
133 H VAL 21 H VAL 21 -8.858 2.356 6.951
134 HA VAL 21 HA VAL 21 -7.651 3.235 4.450
135 HB VAL 21 HB VAL 21 -7.119 4.255 7.252
136 HG11 VAL 21 1HG1 VAL 21 -6.552 5.474 4.552
137 HG12 VAL 21 2HG1 VAL 21 -5.357 4.792 5.656
138 HG13 VAL 21 3HG1 VAL 21 -6.255 6.241 6.112
139 HG21 VAL 21 3HG2 VAL 21 -9.044 5.283 5.172
140 HG22 VAL 21 1HG2 VAL 21 -8.642 6.103 6.680
141 HG23 VAL 21 2HG2 VAL 21 -9.467 4.544 6.715
142 H CYS 22 H CYS 22 -6.195 1.779 3.769
143 HA CYS 22 HA CYS 22 -4.639 0.249 5.635
144 HB2 CYS 22 2HB CYS 22 -5.411 0.018 2.859
145 HB3 CYS 22 1HB CYS 22 -3.678 -0.222 3.036
146 HG CYS 22 HG CYS 22 -6.195 -2.188 3.995
147 H GLY 23 H GLY 23 -2.298 0.027 5.438
148 HA2 GLY 23 2HA GLY 23 -0.931 2.423 4.477
149 HA3 GLY 23 1HA GLY 23 -0.784 2.017 6.182
150 H GLN 24 H GLN 24 1.259 1.312 6.432
151 HA GLN 24 HA GLN 24 2.510 -0.154 4.248
152 HB2 GLN 24 2HB GLN 24 3.775 1.670 5.259
153 HB3 GLN 24 1HB GLN 24 3.648 0.908 6.839
154 HG2 GLN 24 2HG GLN 24 5.050 -0.899 6.163
155 HG3 GLN 24 1HG GLN 24 5.021 -0.360 4.486
156 HE21 GLN 24 1HE2 GLN 24 5.285 1.918 7.094
157 HE22 GLN 24 2HE2 GLN 24 6.942 2.334 6.825
158 H GLY 25 H GLY 25 3.079 -2.237 4.313
159 HA2 GLY 25 2HA GLY 25 3.393 -4.346 5.367
160 HA3 GLY 25 1HA GLY 25 2.406 -3.790 6.714
161 H ASN 26 H ASN 26 0.729 -2.623 4.331
162 HA ASN 26 HA ASN 26 -0.568 -5.143 3.534
163 HB2 ASN 26 2HB ASN 26 -1.883 -2.519 4.266
164 HB3 ASN 26 1HB ASN 26 -2.715 -3.839 3.452
165 HD21 ASN 26 1HD2 ASN 26 -1.352 -2.715 6.430
166 HD22 ASN 26 2HD2 ASN 26 -2.012 -3.958 7.436
167 H LYS 27 H LYS 27 -1.795 -4.953 1.508
168 HA LYS 27 HA LYS 27 -1.078 -2.729 -0.224
169 HB2 LYS 27 2HB LYS 27 0.745 -4.294 -0.588
170 HB3 LYS 27 1HB LYS 27 -0.393 -5.609 -0.844
171 HG2 LYS 27 2HG LYS 27 -1.034 -4.820 -2.931
172 HG3 LYS 27 1HG LYS 27 -0.436 -3.192 -2.608
173 HD2 LYS 27 2HD LYS 27 1.024 -4.340 -4.179
174 HD3 LYS 27 1HD LYS 27 1.867 -4.031 -2.660
175 HE2 LYS 27 2HE LYS 27 2.372 -6.260 -3.474
176 HE3 LYS 27 1HE LYS 27 1.448 -6.350 -1.975
177 HZ1 LYS 27 3HZ LYS 27 0.244 -6.601 -4.676
178 HZ2 LYS 27 1HZ LYS 27 -0.506 -6.893 -3.185
179 HZ3 LYS 27 2HZ LYS 27 0.721 -7.925 -3.727
180 H CYS 28 H CYS 28 -2.930 -2.124 -1.214
181 HA CYS 28 HA CYS 28 -5.178 -3.965 -1.236
182 HB2 CYS 28 2HB CYS 28 -5.748 -1.773 -0.495
183 HB3 CYS 28 1HB CYS 28 -4.918 -1.024 -1.852
184 HG CYS 28 HG CYS 28 -6.764 -1.823 -3.763
185 H ILE 29 H ILE 29 -6.075 -4.852 -3.009
186 HA ILE 29 HA ILE 29 -5.006 -4.069 -5.622
187 HB ILE 29 HB ILE 29 -5.365 -6.530 -6.270
188 HG12 ILE 29 2HG1 ILE 29 -5.075 -6.801 -3.273
189 HG13 ILE 29 1HG1 ILE 29 -6.527 -7.174 -4.196
190 HG21 ILE 29 1HG2 ILE 29 -3.183 -5.455 -6.188
191 HG22 ILE 29 2HG2 ILE 29 -3.079 -7.104 -5.569
192 HG23 ILE 29 3HG2 ILE 29 -3.093 -5.741 -4.451
193 HD11 ILE 29 3HD1 ILE 29 -5.360 -8.972 -5.336
194 HD12 ILE 29 1HD1 ILE 29 -5.289 -9.185 -3.586
195 HD13 ILE 29 2HD1 ILE 29 -3.877 -8.582 -4.458
196 H LEU 30 H LEU 30 -6.450 -3.778 -7.163
197 HA LEU 30 HA LEU 30 -9.272 -4.171 -6.490
198 HB2 LEU 30 2HB LEU 30 -7.998 -2.386 -8.572
199 HB3 LEU 30 1HB LEU 30 -9.715 -2.478 -8.218
200 HG LEU 30 HG LEU 30 -7.677 -1.662 -6.165
201 HD11 LEU 30 1HD1 LEU 30 -8.331 0.660 -6.636
202 HD12 LEU 30 2HD1 LEU 30 -9.311 0.101 -7.992
203 HD13 LEU 30 3HD1 LEU 30 -7.559 -0.095 -8.031
204 HD21 LEU 30 3HD2 LEU 30 -9.828 -2.452 -5.321
205 HD22 LEU 30 1HD2 LEU 30 -10.658 -1.264 -6.325
206 HD23 LEU 30 2HD2 LEU 30 -9.603 -0.728 -5.016
207 H GLY 31 H GLY 31 -9.306 -6.353 -7.070
208 HA2 GLY 31 2HA GLY 31 -8.886 -6.935 -9.934
209 HA3 GLY 31 1HA GLY 31 -8.798 -8.127 -8.649
210 H ARG 32 H ARG 32 -10.563 -9.313 -8.225
211 HA ARG 32 HA ARG 32 -13.207 -8.386 -8.931
212 HB2 ARG 32 2HB ARG 32 -13.741 -10.089 -10.519
213 HB3 ARG 32 1HB ARG 32 -12.270 -9.309 -11.076
214 HG2 ARG 32 2HG ARG 32 -12.217 -11.858 -9.494
215 HG3 ARG 32 1HG ARG 32 -12.404 -11.843 -11.247
216 HD2 ARG 32 2HD ARG 32 -10.273 -10.838 -11.548
217 HD3 ARG 32 1HD ARG 32 -10.119 -10.489 -9.828
218 HE ARG 32 HE ARG 32 -10.391 -13.237 -10.048
219 HH11 ARG 32 1HH1 ARG 32 -8.148 -10.803 -11.214
220 HH12 ARG 32 2HH1 ARG 32 -6.759 -11.851 -11.117
221 HH21 ARG 32 1HH2 ARG 32 -8.567 -14.606 -9.893
222 HH22 ARG 32 2HH2 ARG 32 -6.997 -14.008 -10.348
223 H GLY 33 H GLY 33 -14.865 -10.138 -8.401
224 HA2 GLY 33 2HA GLY 33 -15.742 -11.674 -6.935
225 HA3 GLY 33 1HA GLY 33 -14.122 -12.318 -6.738
226 H ASP 34 H ASP 34 -13.411 -12.263 -4.750
227 HA ASP 34 HA ASP 34 -14.451 -10.258 -2.882
228 HB2 ASP 34 2HB ASP 34 -12.762 -12.732 -2.440
229 HB3 ASP 34 1HB ASP 34 -13.217 -11.609 -1.162
230 H SER 35 H SER 35 -11.845 -10.877 -4.896
231 HA SER 35 HA SER 35 -9.993 -9.218 -3.352
232 HB2 SER 35 2HB SER 35 -9.328 -11.494 -4.307
233 HB3 SER 35 1HB SER 35 -9.415 -10.745 -5.898
234 HG SER 35 HG SER 35 -7.288 -10.750 -4.970
235 H LYS 36 H LYS 36 -12.368 -8.238 -4.794
236 HA LYS 36 HA LYS 36 -11.430 -6.826 -7.124
237 HB2 LYS 36 2HB LYS 36 -13.678 -5.660 -6.916
238 HB3 LYS 36 1HB LYS 36 -13.738 -7.403 -7.137
239 HG2 LYS 36 2HG LYS 36 -14.832 -7.694 -5.230
240 HG3 LYS 36 1HG LYS 36 -13.676 -6.712 -4.333
241 HD2 LYS 36 2HD LYS 36 -15.831 -5.698 -4.130
242 HD3 LYS 36 1HD LYS 36 -14.843 -4.685 -5.185
243 HE2 LYS 36 2HE LYS 36 -15.920 -5.673 -7.146
244 HE3 LYS 36 1HE LYS 36 -16.902 -6.694 -6.095
245 HZ1 LYS 36 3HZ LYS 36 -17.864 -4.675 -5.131
246 HZ2 LYS 36 1HZ LYS 36 -18.151 -4.772 -6.800
247 HZ3 LYS 36 2HZ LYS 36 -16.957 -3.724 -6.206
248 H ASN 37 H ASN 37 -11.795 -6.237 -3.762
249 HA ASN 37 HA ASN 37 -10.246 -3.817 -3.842
250 HB2 ASN 37 2HB ASN 37 -12.469 -2.879 -4.175
251 HB3 ASN 37 1HB ASN 37 -13.135 -3.876 -2.889
252 HD21 ASN 37 1HD2 ASN 37 -11.173 -1.102 -3.638
253 HD22 ASN 37 2HD2 ASN 37 -11.218 -0.413 -2.055
254 H GLN 38 H GLN 38 -8.835 -5.278 -2.759
255 HA GLN 38 HA GLN 38 -9.703 -5.907 -0.026
256 HB2 GLN 38 2HB GLN 38 -9.974 -7.858 -1.616
257 HB3 GLN 38 1HB GLN 38 -8.223 -7.883 -1.757
258 HG2 GLN 38 2HG GLN 38 -8.696 -9.498 -0.165
259 HG3 GLN 38 1HG GLN 38 -8.201 -8.103 0.784
260 HE21 GLN 38 1HE2 GLN 38 -10.810 -6.755 0.317
261 HE22 GLN 38 2HE2 GLN 38 -11.928 -7.566 1.358
262 H CYS 39 H CYS 39 -8.206 -5.751 1.514
263 HA CYS 39 HA CYS 39 -5.577 -4.778 0.775
264 HB2 CYS 39 2HB CYS 39 -6.958 -5.037 3.439
265 HB3 CYS 39 1HB CYS 39 -5.337 -4.399 3.226
266 HG CYS 39 HG CYS 39 -7.675 -2.894 1.358
267 H VAL 40 H VAL 40 -4.422 -6.528 0.084
268 HA VAL 40 HA VAL 40 -4.294 -8.905 1.746
269 HB VAL 40 HB VAL 40 -4.347 -8.871 -0.816
270 HG11 VAL 40 1HG1 VAL 40 -2.680 -7.173 -1.219
271 HG12 VAL 40 2HG1 VAL 40 -2.172 -8.699 -1.943
272 HG13 VAL 40 3HG1 VAL 40 -1.448 -8.155 -0.428
273 HG21 VAL 40 3HG2 VAL 40 -2.214 -10.449 0.616
274 HG22 VAL 40 1HG2 VAL 40 -2.863 -10.835 -0.976
275 HG23 VAL 40 2HG2 VAL 40 -3.912 -10.891 0.439
276 H THR 41 H THR 41 -2.056 -9.727 2.325
277 HA THR 41 HA THR 41 -0.740 -7.514 3.662
278 HB THR 41 HB THR 41 0.503 -9.362 4.857
279 HG1 THR 41 HG1 THR 41 -0.027 -11.428 4.459
280 HG21 THR 41 3HG2 THR 41 -2.513 -9.336 5.000
281 HG22 THR 41 1HG2 THR 41 -1.415 -8.258 5.862
282 HG23 THR 41 2HG2 THR 41 -1.438 -9.981 6.241
283 H GLY 42 H GLY 42 1.140 -6.705 3.148
284 HA2 GLY 42 2HA GLY 42 3.415 -7.944 2.250
285 HA3 GLY 42 1HA GLY 42 2.517 -7.561 0.785
286 H GLU 43 H GLU 43 3.578 -5.866 -0.085
287 HA GLU 43 HA GLU 43 3.610 -3.438 1.554
288 HB2 GLU 43 2HB GLU 43 5.787 -2.776 0.552
289 HB3 GLU 43 1HB GLU 43 5.891 -4.164 1.623
290 HG2 GLU 43 2HG GLU 43 6.230 -5.651 -0.143
291 HG3 GLU 43 1HG GLU 43 5.648 -4.495 -1.343
292 H GLY 44 H GLY 44 2.452 -1.951 0.617
293 HA2 GLY 44 2HA GLY 44 1.973 -2.110 -2.265
294 HA3 GLY 44 1HA GLY 44 1.002 -1.219 -1.105
295 H THR 45 H THR 45 1.056 0.727 -2.104
296 HA THR 45 HA THR 45 3.531 2.233 -1.868
297 HB THR 45 HB THR 45 2.262 3.028 -4.317
298 HG1 THR 45 HG1 THR 45 1.890 0.536 -4.069
299 HG21 THR 45 3HG2 THR 45 4.568 3.549 -3.721
300 HG22 THR 45 1HG2 THR 45 4.518 2.649 -5.236
301 HG23 THR 45 2HG2 THR 45 4.978 1.835 -3.741
302 HA PRO 46 HA PRO 46 0.699 5.362 -0.369
303 HB2 PRO 46 2HB PRO 46 2.667 7.261 -1.523
304 HB3 PRO 46 1HB PRO 46 2.050 7.151 0.127
305 HG2 PRO 46 2HG PRO 46 4.531 6.365 -0.470
306 HG3 PRO 46 1HG PRO 46 3.547 5.483 0.716
307 HD2 PRO 46 2HD PRO 46 4.177 4.786 -2.121
308 HD3 PRO 46 1HD PRO 46 4.046 3.728 -0.701
309 H LYS 47 H LYS 47 -1.027 6.302 -1.322
310 HA LYS 47 HA LYS 47 -1.127 6.277 -4.227
311 HB2 LYS 47 2HB LYS 47 -2.906 5.361 -2.549
312 HB3 LYS 47 1HB LYS 47 -3.404 7.046 -2.430
313 HG2 LYS 47 2HG LYS 47 -3.355 6.827 -5.075
314 HG3 LYS 47 1HG LYS 47 -3.653 5.141 -4.672
315 HD2 LYS 47 2HD LYS 47 -5.804 5.653 -4.461
316 HD3 LYS 47 1HD LYS 47 -5.375 6.599 -3.033
317 HE2 LYS 47 2HE LYS 47 -5.286 7.678 -5.837
318 HE3 LYS 47 1HE LYS 47 -6.697 7.824 -4.793
319 HZ1 LYS 47 3HZ LYS 47 -3.997 8.895 -4.167
320 HZ2 LYS 47 1HZ LYS 47 -5.401 9.104 -3.239
321 HZ3 LYS 47 2HZ LYS 47 -5.287 9.806 -4.778
322 HA PRO 48 HA PRO 48 -0.290 10.731 -4.029
323 HB2 PRO 48 2HB PRO 48 -0.414 10.481 -6.963
324 HB3 PRO 48 1HB PRO 48 0.898 11.074 -5.940
325 HG2 PRO 48 2HG PRO 48 1.061 8.714 -7.201
326 HG3 PRO 48 1HG PRO 48 1.764 8.961 -5.592
327 HD2 PRO 48 2HD PRO 48 -0.806 7.618 -6.353
328 HD3 PRO 48 1HD PRO 48 0.403 7.134 -5.145
329 H GLN 49 H GLN 49 -1.525 12.534 -4.380
330 HA GLN 49 HA GLN 49 -4.097 12.209 -5.741
331 HB2 GLN 49 2HB GLN 49 -4.984 13.594 -3.628
332 HB3 GLN 49 1HB GLN 49 -5.022 11.841 -3.703
333 HG2 GLN 49 2HG GLN 49 -2.886 11.780 -2.470
334 HG3 GLN 49 1HG GLN 49 -2.960 13.535 -2.318
335 HE21 GLN 49 1HE2 GLN 49 -4.434 14.457 -0.911
336 HE22 GLN 49 2HE2 GLN 49 -5.313 13.535 0.260
337 H SER 50 H SER 50 -1.801 14.349 -4.154
338 HA SER 50 HA SER 50 -2.726 16.619 -5.727
339 HB2 SER 50 2HB SER 50 -0.432 16.382 -3.758
340 HB3 SER 50 1HB SER 50 -0.997 17.879 -4.500
341 HG SER 50 HG SER 50 -1.805 17.125 -2.270
342 H HIS 51 H HIS 51 -0.149 14.266 -5.560
343 HA HIS 51 HA HIS 51 1.255 15.408 -7.836
344 HB2 HIS 51 2HB HIS 51 1.597 12.804 -6.376
345 HB3 HIS 51 1HB HIS 51 2.584 13.289 -7.737
346 HD1 HIS 51 HD1 HIS 51 2.433 13.487 -4.106
347 HD2 HIS 51 HD2 HIS 51 4.132 15.721 -7.186
348 HE1 HIS 51 HE1 HIS 51 4.224 14.891 -3.033
349 HE2 HIS 51 HE2 HIS 51 5.381 16.049 -4.951
Start of MODEL 4
1 H1 VAL 1 1H VAL 1 -4.589 14.998 7.397
2 H2 VAL 1 2H VAL 1 -3.721 13.959 8.416
3 H3 VAL 1 3H VAL 1 -5.364 13.667 8.109
4 HA VAL 1 HA VAL 1 -3.191 13.576 6.101
5 HB VAL 1 HB VAL 1 -3.676 11.139 5.997
6 HG11 VAL 1 1HG1 VAL 1 -1.755 11.938 7.242
7 HG12 VAL 1 2HG1 VAL 1 -2.462 10.535 8.044
8 HG13 VAL 1 3HG1 VAL 1 -2.752 12.155 8.679
9 HG21 VAL 1 3HG2 VAL 1 -5.287 11.663 8.493
10 HG22 VAL 1 1HG2 VAL 1 -4.850 10.069 7.877
11 HG23 VAL 1 2HG2 VAL 1 -5.913 11.116 6.937
12 H VAL 2 H VAL 2 -3.847 13.688 4.047
13 HA VAL 2 HA VAL 2 -6.741 13.656 3.548
14 HB VAL 2 HB VAL 2 -4.548 14.567 1.673
15 HG11 VAL 2 1HG1 VAL 2 -6.384 15.692 0.489
16 HG12 VAL 2 2HG1 VAL 2 -7.537 14.980 1.621
17 HG13 VAL 2 3HG1 VAL 2 -6.607 13.943 0.539
18 HG21 VAL 2 3HG2 VAL 2 -5.163 16.848 2.291
19 HG22 VAL 2 1HG2 VAL 2 -4.578 15.947 3.691
20 HG23 VAL 2 2HG2 VAL 2 -6.307 16.226 3.480
21 H TYR 3 H TYR 3 -6.714 11.309 3.793
22 HA TYR 3 HA TYR 3 -5.587 9.907 1.487
23 HB2 TYR 3 2HB TYR 3 -6.831 8.822 4.017
24 HB3 TYR 3 1HB TYR 3 -6.297 7.827 2.675
25 HD1 TYR 3 HD2 TYR 3 -3.797 9.614 2.110
26 HD2 TYR 3 HD1 TYR 3 -5.353 7.771 5.615
27 HE1 TYR 3 HE2 TYR 3 -1.529 9.513 3.053
28 HE2 TYR 3 HE1 TYR 3 -3.088 7.664 6.568
29 HH TYR 3 HH TYR 3 -0.709 7.619 5.668
30 H THR 4 H THR 4 -6.907 8.464 0.308
31 HA THR 4 HA THR 4 -9.743 9.153 0.247
32 HB THR 4 HB THR 4 -9.457 9.189 -2.334
33 HG1 THR 4 HG1 THR 4 -6.801 9.890 -1.519
34 HG21 THR 4 3HG2 THR 4 -8.392 11.475 -0.669
35 HG22 THR 4 1HG2 THR 4 -10.090 11.157 -1.020
36 HG23 THR 4 2HG2 THR 4 -8.986 11.595 -2.325
37 H ASP 5 H ASP 5 -10.334 7.675 -2.102
38 HA ASP 5 HA ASP 5 -10.081 5.005 -0.960
39 HB2 ASP 5 2HB ASP 5 -11.499 5.679 -3.544
40 HB3 ASP 5 1HB ASP 5 -11.829 4.358 -2.429
41 H CYS 6 H CYS 6 -9.122 3.246 -2.081
42 HA CYS 6 HA CYS 6 -6.735 3.866 -3.410
43 HB2 CYS 6 2HB CYS 6 -8.164 1.222 -3.588
44 HB3 CYS 6 1HB CYS 6 -6.440 1.527 -3.758
45 HG CYS 6 HG CYS 6 -8.230 1.835 -0.849
46 H THR 7 H THR 7 -6.192 4.093 -5.489
47 HA THR 7 HA THR 7 -8.349 3.818 -7.474
48 HB THR 7 HB THR 7 -5.863 5.518 -7.677
49 HG1 THR 7 HG1 THR 7 -8.511 6.394 -7.070
50 HG21 THR 7 3HG2 THR 7 -8.438 5.569 -9.256
51 HG22 THR 7 1HG2 THR 7 -6.908 4.907 -9.824
52 HG23 THR 7 2HG2 THR 7 -7.053 6.632 -9.492
53 H GLU 8 H GLU 8 -5.069 2.976 -6.657
54 HA GLU 8 HA GLU 8 -4.803 1.486 -9.179
55 HB2 GLU 8 2HB GLU 8 -2.826 2.976 -7.508
56 HB3 GLU 8 1HB GLU 8 -2.273 1.610 -8.448
57 HG2 GLU 8 2HG GLU 8 -1.852 3.429 -9.813
58 HG3 GLU 8 1HG GLU 8 -3.370 2.796 -10.442
59 H SER 9 H SER 9 -3.820 -0.558 -9.098
60 HA SER 9 HA SER 9 -4.271 -1.969 -6.592
61 HB2 SER 9 2HB SER 9 -3.447 -3.022 -9.315
62 HB3 SER 9 1HB SER 9 -3.949 -4.000 -7.930
63 HG SER 9 HG SER 9 -5.535 -3.276 -9.732
64 H GLY 10 H GLY 10 -2.670 -2.343 -5.207
65 HA2 GLY 10 2HA GLY 10 -0.359 -3.086 -4.862
66 HA3 GLY 10 1HA GLY 10 0.103 -2.056 -6.209
67 H GLN 11 H GLN 11 -2.141 -0.314 -4.764
68 HA GLN 11 HA GLN 11 -0.220 1.275 -3.243
69 HB2 GLN 11 2HB GLN 11 -2.699 1.758 -4.659
70 HB3 GLN 11 1HB GLN 11 -2.800 2.392 -3.020
71 HG2 GLN 11 2HG GLN 11 -1.651 4.160 -3.650
72 HG3 GLN 11 1HG GLN 11 -0.282 3.131 -4.053
73 HE21 GLN 11 1HE2 GLN 11 -3.139 4.703 -5.252
74 HE22 GLN 11 2HE2 GLN 11 -2.706 4.665 -6.930
75 H ASN 12 H ASN 12 -1.028 2.150 -1.050
76 HA ASN 12 HA ASN 12 -2.671 0.154 0.314
77 HB2 ASN 12 2HB ASN 12 -1.096 0.308 2.300
78 HB3 ASN 12 1HB ASN 12 -0.646 -0.714 0.949
79 HD21 ASN 12 1HD2 ASN 12 1.457 -0.664 1.696
80 HD22 ASN 12 2HD2 ASN 12 2.498 0.691 1.413
81 H LEU 13 H LEU 13 -0.928 3.165 0.999
82 HA LEU 13 HA LEU 13 -2.497 3.969 3.174
83 HB2 LEU 13 2HB LEU 13 -0.775 5.551 1.281
84 HB3 LEU 13 1HB LEU 13 -1.550 6.264 2.683
85 HG LEU 13 HG LEU 13 0.394 3.960 2.837
86 HD11 LEU 13 1HD1 LEU 13 0.860 6.908 3.271
87 HD12 LEU 13 2HD1 LEU 13 1.527 5.925 1.967
88 HD13 LEU 13 3HD1 LEU 13 2.011 5.623 3.637
89 HD21 LEU 13 3HD2 LEU 13 -1.168 4.128 4.715
90 HD22 LEU 13 1HD2 LEU 13 -0.712 5.815 4.944
91 HD23 LEU 13 2HD2 LEU 13 0.475 4.539 5.206
92 H CYS 14 H CYS 14 -4.481 3.277 1.854
93 HA CYS 14 HA CYS 14 -6.003 5.684 1.371
94 HB2 CYS 14 2HB CYS 14 -6.931 4.348 -0.755
95 HB3 CYS 14 1HB CYS 14 -5.609 5.500 -0.880
96 HG CYS 14 HG CYS 14 -4.925 2.217 -0.335
97 H LEU 15 H LEU 15 -8.358 5.183 1.310
98 HA LEU 15 HA LEU 15 -8.946 2.978 3.093
99 HB2 LEU 15 2HB LEU 15 -11.361 4.122 2.145
100 HB3 LEU 15 1HB LEU 15 -10.643 4.267 3.731
101 HG LEU 15 HG LEU 15 -9.889 6.115 1.475
102 HD11 LEU 15 1HD1 LEU 15 -12.301 6.253 1.791
103 HD12 LEU 15 2HD1 LEU 15 -11.501 7.705 2.392
104 HD13 LEU 15 3HD1 LEU 15 -12.070 6.477 3.524
105 HD21 LEU 15 3HD2 LEU 15 -9.197 7.586 3.277
106 HD22 LEU 15 1HD2 LEU 15 -8.386 6.028 3.422
107 HD23 LEU 15 2HD2 LEU 15 -9.749 6.415 4.474
108 H CYS 16 H CYS 16 -8.805 1.074 2.120
109 HA CYS 16 HA CYS 16 -9.687 0.658 -0.582
110 HB2 CYS 16 2HB CYS 16 -7.694 -0.487 0.114
111 HB3 CYS 16 1HB CYS 16 -8.518 -1.181 1.501
112 HG CYS 16 HG CYS 16 -7.912 -2.749 -1.100
113 H GLU 17 H GLU 17 -10.314 -1.328 2.254
114 HA GLU 17 HA GLU 17 -12.956 -2.017 1.336
115 HB2 GLU 17 2HB GLU 17 -11.196 -3.393 2.764
116 HB3 GLU 17 1HB GLU 17 -11.941 -2.542 4.106
117 HG2 GLU 17 2HG GLU 17 -13.589 -4.108 2.160
118 HG3 GLU 17 1HG GLU 17 -12.783 -4.887 3.520
119 H GLY 18 H GLY 18 -14.879 -1.421 2.372
120 HA2 GLY 18 2HA GLY 18 -16.117 0.603 2.817
121 HA3 GLY 18 1HA GLY 18 -15.921 -0.260 4.328
122 H SER 19 H SER 19 -14.405 0.493 5.856
123 HA SER 19 HA SER 19 -13.494 3.258 5.380
124 HB2 SER 19 2HB SER 19 -13.713 3.560 7.847
125 HB3 SER 19 1HB SER 19 -15.253 3.252 7.045
126 HG SER 19 HG SER 19 -15.457 1.495 8.179
127 H ASN 20 H ASN 20 -12.349 0.289 5.413
128 HA ASN 20 HA ASN 20 -10.270 0.382 7.374
129 HB2 ASN 20 2HB ASN 20 -10.738 -1.391 4.981
130 HB3 ASN 20 1HB ASN 20 -9.335 -1.564 6.024
131 HD21 ASN 20 1HD2 ASN 20 -12.448 -0.629 7.275
132 HD22 ASN 20 2HD2 ASN 20 -12.783 -2.115 8.085
133 H VAL 21 H VAL 21 -8.755 1.860 7.250
134 HA VAL 21 HA VAL 21 -7.769 2.800 4.675
135 HB VAL 21 HB VAL 21 -6.884 3.660 7.439
136 HG11 VAL 21 1HG1 VAL 21 -6.589 4.960 4.735
137 HG12 VAL 21 2HG1 VAL 21 -5.302 4.235 5.700
138 HG13 VAL 21 3HG1 VAL 21 -6.122 5.688 6.272
139 HG21 VAL 21 3HG2 VAL 21 -9.231 4.094 7.298
140 HG22 VAL 21 1HG2 VAL 21 -9.062 4.770 5.679
141 HG23 VAL 21 2HG2 VAL 21 -8.381 5.622 7.065
142 H CYS 22 H CYS 22 -6.488 1.274 3.806
143 HA CYS 22 HA CYS 22 -4.758 -0.402 5.293
144 HB2 CYS 22 2HB CYS 22 -5.646 -0.195 2.597
145 HB3 CYS 22 1HB CYS 22 -3.889 -0.175 2.574
146 HG CYS 22 HG CYS 22 -4.751 -2.529 4.634
147 H GLY 23 H GLY 23 -2.437 -0.408 5.287
148 HA2 GLY 23 2HA GLY 23 -1.127 2.064 4.476
149 HA3 GLY 23 1HA GLY 23 -1.097 1.672 6.190
150 H GLN 24 H GLN 24 0.801 0.867 6.743
151 HA GLN 24 HA GLN 24 2.443 -0.367 4.686
152 HB2 GLN 24 2HB GLN 24 2.958 0.740 7.423
153 HB3 GLN 24 1HB GLN 24 4.112 -0.382 6.717
154 HG2 GLN 24 2HG GLN 24 4.679 2.018 6.384
155 HG3 GLN 24 1HG GLN 24 4.551 1.090 4.893
156 HE21 GLN 24 1HE2 GLN 24 2.959 1.572 3.431
157 HE22 GLN 24 2HE2 GLN 24 1.952 2.973 3.562
158 H GLY 25 H GLY 25 3.047 -2.434 4.633
159 HA2 GLY 25 2HA GLY 25 3.216 -4.648 5.376
160 HA3 GLY 25 1HA GLY 25 2.231 -4.247 6.780
161 H ASN 26 H ASN 26 0.744 -2.857 4.261
162 HA ASN 26 HA ASN 26 -0.630 -5.288 3.367
163 HB2 ASN 26 2HB ASN 26 -1.893 -2.759 4.392
164 HB3 ASN 26 1HB ASN 26 -2.757 -3.873 3.338
165 HD21 ASN 26 1HD2 ASN 26 -1.580 -3.279 6.513
166 HD22 ASN 26 2HD2 ASN 26 -2.273 -4.684 7.256
167 H LYS 27 H LYS 27 -1.900 -4.940 1.418
168 HA LYS 27 HA LYS 27 -1.164 -2.670 -0.222
169 HB2 LYS 27 2HB LYS 27 0.672 -4.244 -0.602
170 HB3 LYS 27 1HB LYS 27 -0.479 -5.519 -0.974
171 HG2 LYS 27 2HG LYS 27 -0.980 -4.658 -3.034
172 HG3 LYS 27 1HG LYS 27 -0.510 -3.017 -2.584
173 HD2 LYS 27 2HD LYS 27 1.139 -3.887 -4.092
174 HD3 LYS 27 1HD LYS 27 1.853 -3.781 -2.483
175 HE2 LYS 27 2HE LYS 27 2.558 -5.854 -3.281
176 HE3 LYS 27 1HE LYS 27 1.191 -6.245 -2.238
177 HZ1 LYS 27 3HZ LYS 27 1.088 -5.997 -5.198
178 HZ2 LYS 27 1HZ LYS 27 -0.213 -6.407 -4.196
179 HZ3 LYS 27 2HZ LYS 27 1.109 -7.456 -4.336
180 H CYS 28 H CYS 28 -3.010 -2.066 -1.267
181 HA CYS 28 HA CYS 28 -5.202 -3.973 -1.398
182 HB2 CYS 28 2HB CYS 28 -5.835 -1.782 -0.621
183 HB3 CYS 28 1HB CYS 28 -5.083 -1.025 -2.017
184 HG CYS 28 HG CYS 28 -7.584 -0.696 -2.754
185 H ILE 29 H ILE 29 -5.859 -4.962 -3.173
186 HA ILE 29 HA ILE 29 -4.876 -3.967 -5.759
187 HB ILE 29 HB ILE 29 -5.131 -6.428 -6.496
188 HG12 ILE 29 2HG1 ILE 29 -4.762 -6.784 -3.518
189 HG13 ILE 29 1HG1 ILE 29 -6.225 -7.179 -4.415
190 HG21 ILE 29 1HG2 ILE 29 -2.817 -6.906 -5.842
191 HG22 ILE 29 2HG2 ILE 29 -2.877 -5.571 -4.689
192 HG23 ILE 29 3HG2 ILE 29 -3.011 -5.250 -6.420
193 HD11 ILE 29 3HD1 ILE 29 -4.904 -9.165 -3.933
194 HD12 ILE 29 1HD1 ILE 29 -3.532 -8.472 -4.796
195 HD13 ILE 29 2HD1 ILE 29 -5.011 -8.875 -5.669
196 H LEU 30 H LEU 30 -6.498 -3.100 -6.797
197 HA LEU 30 HA LEU 30 -9.220 -3.988 -6.389
198 HB2 LEU 30 2HB LEU 30 -8.097 -1.806 -8.163
199 HB3 LEU 30 1HB LEU 30 -9.801 -2.136 -7.930
200 HG LEU 30 HG LEU 30 -9.262 -1.694 -5.407
201 HD11 LEU 30 1HD1 LEU 30 -6.861 -1.571 -5.605
202 HD12 LEU 30 2HD1 LEU 30 -7.502 -0.008 -5.108
203 HD13 LEU 30 3HD1 LEU 30 -6.995 -0.260 -6.777
204 HD21 LEU 30 3HD2 LEU 30 -9.771 0.669 -5.730
205 HD22 LEU 30 1HD2 LEU 30 -10.754 -0.347 -6.785
206 HD23 LEU 30 2HD2 LEU 30 -9.368 0.528 -7.441
207 H GLY 31 H GLY 31 -8.947 -6.105 -7.287
208 HA2 GLY 31 2HA GLY 31 -8.268 -6.263 -10.129
209 HA3 GLY 31 1HA GLY 31 -8.435 -7.618 -9.022
210 H ARG 32 H ARG 32 -10.248 -8.764 -9.104
211 HA ARG 32 HA ARG 32 -12.703 -7.678 -10.169
212 HB2 ARG 32 2HB ARG 32 -11.168 -8.242 -12.134
213 HB3 ARG 32 1HB ARG 32 -11.342 -9.923 -11.659
214 HG2 ARG 32 2HG ARG 32 -13.724 -9.824 -12.062
215 HG3 ARG 32 1HG ARG 32 -13.608 -8.103 -12.449
216 HD2 ARG 32 2HD ARG 32 -13.672 -9.331 -14.505
217 HD3 ARG 32 1HD ARG 32 -12.043 -8.684 -14.287
218 HE ARG 32 HE ARG 32 -12.773 -11.493 -13.722
219 HH11 ARG 32 1HH1 ARG 32 -10.554 -9.085 -14.973
220 HH12 ARG 32 2HH1 ARG 32 -9.320 -10.245 -15.366
221 HH21 ARG 32 1HH2 ARG 32 -11.176 -13.019 -14.261
222 HH22 ARG 32 2HH2 ARG 32 -9.677 -12.488 -14.987
223 H GLY 33 H GLY 33 -14.465 -9.233 -9.998
224 HA2 GLY 33 2HA GLY 33 -15.344 -11.308 -9.249
225 HA3 GLY 33 1HA GLY 33 -13.818 -11.658 -8.481
226 H ASP 34 H ASP 34 -14.537 -12.081 -6.467
227 HA ASP 34 HA ASP 34 -15.871 -9.957 -4.964
228 HB2 ASP 34 2HB ASP 34 -16.262 -12.426 -4.484
229 HB3 ASP 34 1HB ASP 34 -14.595 -12.515 -3.928
230 H SER 35 H SER 35 -13.017 -10.777 -6.216
231 HA SER 35 HA SER 35 -11.219 -9.638 -4.243
232 HB2 SER 35 2HB SER 35 -10.829 -10.813 -6.992
233 HB3 SER 35 1HB SER 35 -9.533 -10.364 -5.909
234 HG SER 35 HG SER 35 -10.266 -11.945 -4.443
235 H LYS 36 H LYS 36 -13.293 -8.094 -5.721
236 HA LYS 36 HA LYS 36 -12.250 -6.589 -7.833
237 HB2 LYS 36 2HB LYS 36 -14.054 -4.943 -7.176
238 HB3 LYS 36 1HB LYS 36 -14.595 -6.591 -7.476
239 HG2 LYS 36 2HG LYS 36 -14.647 -7.026 -5.083
240 HG3 LYS 36 1HG LYS 36 -14.085 -5.387 -4.768
241 HD2 LYS 36 2HD LYS 36 -16.617 -6.112 -6.198
242 HD3 LYS 36 1HD LYS 36 -16.531 -5.659 -4.500
243 HE2 LYS 36 2HE LYS 36 -15.644 -3.898 -6.781
244 HE3 LYS 36 1HE LYS 36 -17.242 -3.821 -6.042
245 HZ1 LYS 36 3HZ LYS 36 -16.178 -3.301 -3.921
246 HZ2 LYS 36 1HZ LYS 36 -15.799 -2.154 -5.111
247 HZ3 LYS 36 2HZ LYS 36 -14.656 -3.323 -4.666
248 H ASN 37 H ASN 37 -12.178 -6.038 -4.374
249 HA ASN 37 HA ASN 37 -9.748 -4.556 -4.672
250 HB2 ASN 37 2HB ASN 37 -10.423 -2.612 -3.451
251 HB3 ASN 37 1HB ASN 37 -11.584 -2.833 -4.753
252 HD21 ASN 37 1HD2 ASN 37 -11.067 -2.793 -1.357
253 HD22 ASN 37 2HD2 ASN 37 -12.721 -2.949 -0.899
254 H GLN 38 H GLN 38 -8.382 -5.198 -3.051
255 HA GLN 38 HA GLN 38 -9.558 -6.285 -0.610
256 HB2 GLN 38 2HB GLN 38 -9.432 -8.204 -2.091
257 HB3 GLN 38 1HB GLN 38 -7.746 -7.862 -2.440
258 HG2 GLN 38 2HG GLN 38 -7.863 -9.680 -0.906
259 HG3 GLN 38 1HG GLN 38 -7.213 -8.287 -0.064
260 HE21 GLN 38 1HE2 GLN 38 -8.274 -7.507 1.691
261 HE22 GLN 38 2HE2 GLN 38 -9.713 -8.208 2.342
262 H CYS 39 H CYS 39 -8.365 -5.970 1.142
263 HA CYS 39 HA CYS 39 -5.757 -4.728 0.902
264 HB2 CYS 39 2HB CYS 39 -7.594 -5.276 3.216
265 HB3 CYS 39 1HB CYS 39 -5.954 -4.695 3.455
266 HG CYS 39 HG CYS 39 -6.301 -2.243 2.379
267 H VAL 40 H VAL 40 -4.534 -6.472 0.095
268 HA VAL 40 HA VAL 40 -4.338 -8.878 1.714
269 HB VAL 40 HB VAL 40 -4.302 -8.775 -0.866
270 HG11 VAL 40 1HG1 VAL 40 -2.627 -7.039 -1.111
271 HG12 VAL 40 2HG1 VAL 40 -2.104 -8.531 -1.893
272 HG13 VAL 40 3HG1 VAL 40 -1.424 -8.067 -0.331
273 HG21 VAL 40 3HG2 VAL 40 -2.210 -10.357 0.625
274 HG22 VAL 40 1HG2 VAL 40 -2.787 -10.710 -1.004
275 HG23 VAL 40 2HG2 VAL 40 -3.892 -10.818 0.364
276 H THR 41 H THR 41 -2.200 -9.620 2.439
277 HA THR 41 HA THR 41 -0.805 -7.389 3.653
278 HB THR 41 HB THR 41 0.464 -9.397 4.764
279 HG1 THR 41 HG1 THR 41 -1.981 -10.659 4.012
280 HG21 THR 41 3HG2 THR 41 -1.298 -9.546 6.468
281 HG22 THR 41 1HG2 THR 41 -2.434 -8.787 5.357
282 HG23 THR 41 2HG2 THR 41 -1.044 -7.882 5.949
283 H GLY 42 H GLY 42 1.112 -6.688 3.132
284 HA2 GLY 42 2HA GLY 42 3.272 -8.045 2.085
285 HA3 GLY 42 1HA GLY 42 2.334 -7.512 0.697
286 H GLU 43 H GLU 43 3.537 -5.886 -0.119
287 HA GLU 43 HA GLU 43 3.829 -3.546 1.617
288 HB2 GLU 43 2HB GLU 43 5.995 -2.996 0.558
289 HB3 GLU 43 1HB GLU 43 6.057 -4.489 1.481
290 HG2 GLU 43 2HG GLU 43 6.070 -5.805 -0.486
291 HG3 GLU 43 1HG GLU 43 5.670 -4.414 -1.496
292 H GLY 44 H GLY 44 2.572 -2.030 0.819
293 HA2 GLY 44 2HA GLY 44 1.962 -2.044 -2.036
294 HA3 GLY 44 1HA GLY 44 1.079 -1.177 -0.792
295 H THR 45 H THR 45 1.124 0.729 -1.904
296 HA THR 45 HA THR 45 3.641 2.198 -1.745
297 HB THR 45 HB THR 45 2.487 3.242 -4.025
298 HG1 THR 45 HG1 THR 45 1.956 0.503 -3.872
299 HG21 THR 45 3HG2 THR 45 4.879 2.911 -3.656
300 HG22 THR 45 1HG2 THR 45 4.388 2.246 -5.214
301 HG23 THR 45 2HG2 THR 45 4.676 1.170 -3.847
302 HA PRO 46 HA PRO 46 0.989 5.338 0.017
303 HB2 PRO 46 2HB PRO 46 2.899 7.225 -1.252
304 HB3 PRO 46 1HB PRO 46 2.402 7.104 0.438
305 HG2 PRO 46 2HG PRO 46 4.818 6.280 -0.336
306 HG3 PRO 46 1HG PRO 46 3.900 5.388 0.893
307 HD2 PRO 46 2HD PRO 46 4.314 4.752 -2.000
308 HD3 PRO 46 1HD PRO 46 4.275 3.659 -0.600
309 H LYS 47 H LYS 47 -0.823 6.214 -0.822
310 HA LYS 47 HA LYS 47 -1.061 6.267 -3.703
311 HB2 LYS 47 2HB LYS 47 -2.741 5.183 -2.134
312 HB3 LYS 47 1HB LYS 47 -3.220 6.814 -1.673
313 HG2 LYS 47 2HG LYS 47 -3.271 6.947 -4.390
314 HG3 LYS 47 1HG LYS 47 -3.803 5.298 -4.077
315 HD2 LYS 47 2HD LYS 47 -5.656 5.998 -2.852
316 HD3 LYS 47 1HD LYS 47 -4.984 7.611 -2.592
317 HE2 LYS 47 2HE LYS 47 -5.180 8.031 -5.021
318 HE3 LYS 47 1HE LYS 47 -5.960 6.462 -5.198
319 HZ1 LYS 47 3HZ LYS 47 -7.524 8.341 -5.077
320 HZ2 LYS 47 1HZ LYS 47 -7.007 8.657 -3.494
321 HZ3 LYS 47 2HZ LYS 47 -7.774 7.191 -3.866
322 HA PRO 48 HA PRO 48 -0.628 10.777 -3.599
323 HB2 PRO 48 2HB PRO 48 -0.716 10.524 -6.505
324 HB3 PRO 48 1HB PRO 48 0.593 11.117 -5.480
325 HG2 PRO 48 2HG PRO 48 0.747 8.776 -6.832
326 HG3 PRO 48 1HG PRO 48 1.552 9.039 -5.274
327 HD2 PRO 48 2HD PRO 48 -1.016 7.608 -5.865
328 HD3 PRO 48 1HD PRO 48 0.291 7.161 -4.746
329 H GLN 49 H GLN 49 -1.999 12.400 -4.016
330 HA GLN 49 HA GLN 49 -4.724 11.609 -4.752
331 HB2 GLN 49 2HB GLN 49 -5.170 13.975 -3.745
332 HB3 GLN 49 1HB GLN 49 -4.809 12.616 -2.697
333 HG2 GLN 49 2HG GLN 49 -2.555 13.304 -2.440
334 HG3 GLN 49 1HG GLN 49 -2.751 14.580 -3.630
335 HE21 GLN 49 1HE2 GLN 49 -1.849 14.804 -0.926
336 HE22 GLN 49 2HE2 GLN 49 -2.953 15.851 -0.095
337 H SER 50 H SER 50 -2.070 12.895 -6.052
338 HA SER 50 HA SER 50 -3.306 14.920 -7.714
339 HB2 SER 50 2HB SER 50 -0.924 15.013 -8.675
340 HB3 SER 50 1HB SER 50 -1.131 15.487 -6.988
341 HG SER 50 HG SER 50 0.647 14.022 -7.373
342 H HIS 51 H HIS 51 -4.674 12.757 -8.357
343 HA HIS 51 HA HIS 51 -3.438 11.270 -10.493
344 HB2 HIS 51 2HB HIS 51 -6.201 11.377 -9.368
345 HB3 HIS 51 1HB HIS 51 -5.911 10.582 -10.905
346 HD1 HIS 51 HD1 HIS 51 -5.791 9.969 -7.313
347 HD2 HIS 51 HD2 HIS 51 -4.021 8.385 -10.726
348 HE1 HIS 51 HE1 HIS 51 -4.837 7.751 -6.618
349 HE2 HIS 51 HE2 HIS 51 -3.990 6.709 -8.752
Start of MODEL 5
1 H1 VAL 1 1H VAL 1 -2.105 15.059 7.362
2 H2 VAL 1 2H VAL 1 -3.567 14.284 7.731
3 H3 VAL 1 3H VAL 1 -3.570 15.701 6.804
4 HA VAL 1 HA VAL 1 -2.406 14.600 5.028
5 HB VAL 1 HB VAL 1 -2.105 12.164 5.062
6 HG11 VAL 1 1HG1 VAL 1 -0.759 13.621 7.331
7 HG12 VAL 1 2HG1 VAL 1 -0.208 13.517 5.658
8 HG13 VAL 1 3HG1 VAL 1 -0.227 12.074 6.672
9 HG21 VAL 1 3HG2 VAL 1 -2.292 10.905 7.153
10 HG22 VAL 1 1HG2 VAL 1 -3.848 11.573 6.665
11 HG23 VAL 1 2HG2 VAL 1 -2.928 12.338 7.961
12 H VAL 2 H VAL 2 -3.693 13.953 3.329
13 HA VAL 2 HA VAL 2 -6.501 13.414 4.058
14 HB VAL 2 HB VAL 2 -5.477 14.694 1.515
15 HG11 VAL 2 1HG1 VAL 2 -8.287 14.392 2.571
16 HG12 VAL 2 2HG1 VAL 2 -7.586 13.482 1.233
17 HG13 VAL 2 3HG1 VAL 2 -7.820 15.226 1.089
18 HG21 VAL 2 3HG2 VAL 2 -5.098 16.190 3.371
19 HG22 VAL 2 1HG2 VAL 2 -6.744 15.940 3.953
20 HG23 VAL 2 2HG2 VAL 2 -6.467 16.773 2.425
21 H TYR 3 H TYR 3 -6.742 11.249 3.928
22 HA TYR 3 HA TYR 3 -5.605 9.816 1.661
23 HB2 TYR 3 2HB TYR 3 -7.196 8.863 4.044
24 HB3 TYR 3 1HB TYR 3 -6.690 7.811 2.731
25 HD1 TYR 3 HD2 TYR 3 -3.936 9.222 2.376
26 HD2 TYR 3 HD1 TYR 3 -6.002 7.659 5.753
27 HE1 TYR 3 HE2 TYR 3 -1.788 8.825 3.502
28 HE2 TYR 3 HE1 TYR 3 -3.859 7.256 6.883
29 HH TYR 3 HH TYR 3 -0.897 8.534 5.737
30 H THR 4 H THR 4 -6.971 8.399 0.392
31 HA THR 4 HA THR 4 -9.752 9.230 0.137
32 HB THR 4 HB THR 4 -9.286 9.105 -2.448
33 HG1 THR 4 HG1 THR 4 -6.779 10.173 -1.670
34 HG21 THR 4 3HG2 THR 4 -8.423 11.508 -0.830
35 HG22 THR 4 1HG2 THR 4 -10.083 11.108 -1.266
36 HG23 THR 4 2HG2 THR 4 -8.918 11.518 -2.524
37 H ASP 5 H ASP 5 -10.344 7.710 -2.142
38 HA ASP 5 HA ASP 5 -10.103 5.024 -1.038
39 HB2 ASP 5 2HB ASP 5 -11.525 5.953 -3.553
40 HB3 ASP 5 1HB ASP 5 -11.695 4.384 -2.776
41 H CYS 6 H CYS 6 -9.189 3.272 -2.232
42 HA CYS 6 HA CYS 6 -6.788 3.905 -3.540
43 HB2 CYS 6 2HB CYS 6 -8.260 1.292 -3.795
44 HB3 CYS 6 1HB CYS 6 -6.534 1.579 -3.963
45 HG CYS 6 HG CYS 6 -5.918 1.668 -1.398
46 H THR 7 H THR 7 -6.236 4.140 -5.621
47 HA THR 7 HA THR 7 -8.446 4.059 -7.562
48 HB THR 7 HB THR 7 -7.449 6.297 -7.019
49 HG1 THR 7 HG1 THR 7 -8.336 5.448 -9.234
50 HG21 THR 7 3HG2 THR 7 -5.285 6.868 -8.077
51 HG22 THR 7 1HG2 THR 7 -5.051 5.161 -8.455
52 HG23 THR 7 2HG2 THR 7 -5.121 5.691 -6.774
53 H GLU 8 H GLU 8 -5.350 2.864 -6.738
54 HA GLU 8 HA GLU 8 -5.250 1.375 -9.259
55 HB2 GLU 8 2HB GLU 8 -3.296 3.276 -8.198
56 HB3 GLU 8 1HB GLU 8 -2.597 1.711 -8.586
57 HG2 GLU 8 2HG GLU 8 -4.261 3.329 -10.495
58 HG3 GLU 8 1HG GLU 8 -2.500 3.393 -10.416
59 H SER 9 H SER 9 -4.151 -0.641 -9.112
60 HA SER 9 HA SER 9 -4.379 -1.857 -6.488
61 HB2 SER 9 2HB SER 9 -3.551 -3.114 -9.123
62 HB3 SER 9 1HB SER 9 -4.094 -3.954 -7.665
63 HG SER 9 HG SER 9 -5.593 -2.318 -9.425
64 H GLY 10 H GLY 10 -2.692 -2.223 -5.172
65 HA2 GLY 10 2HA GLY 10 -0.315 -2.753 -4.895
66 HA3 GLY 10 1HA GLY 10 0.013 -1.699 -6.263
67 H GLN 11 H GLN 11 -2.275 -0.059 -4.887
68 HA GLN 11 HA GLN 11 -0.484 1.557 -3.243
69 HB2 GLN 11 2HB GLN 11 -3.026 2.015 -4.677
70 HB3 GLN 11 1HB GLN 11 -2.908 2.836 -3.121
71 HG2 GLN 11 2HG GLN 11 -1.676 4.394 -4.030
72 HG3 GLN 11 1HG GLN 11 -0.459 3.210 -4.477
73 HE21 GLN 11 1HE2 GLN 11 -3.243 5.007 -5.521
74 HE22 GLN 11 2HE2 GLN 11 -2.987 4.783 -7.212
75 H ASN 12 H ASN 12 -1.119 2.203 -1.054
76 HA ASN 12 HA ASN 12 -2.874 0.209 0.180
77 HB2 ASN 12 2HB ASN 12 -1.289 0.282 2.193
78 HB3 ASN 12 1HB ASN 12 -0.849 -0.683 0.797
79 HD21 ASN 12 1HD2 ASN 12 1.280 -0.652 1.459
80 HD22 ASN 12 2HD2 ASN 12 2.290 0.733 1.231
81 H LEU 13 H LEU 13 -1.125 3.155 1.140
82 HA LEU 13 HA LEU 13 -2.785 3.888 3.250
83 HB2 LEU 13 2HB LEU 13 -1.048 5.590 1.473
84 HB3 LEU 13 1HB LEU 13 -1.817 6.179 2.935
85 HG LEU 13 HG LEU 13 0.160 3.896 2.881
86 HD11 LEU 13 1HD1 LEU 13 0.584 6.802 3.585
87 HD12 LEU 13 2HD1 LEU 13 1.236 5.971 2.172
88 HD13 LEU 13 3HD1 LEU 13 1.765 5.510 3.789
89 HD21 LEU 13 3HD2 LEU 13 -0.837 5.567 5.183
90 HD22 LEU 13 1HD2 LEU 13 0.210 4.150 5.264
91 HD23 LEU 13 2HD2 LEU 13 -1.473 3.979 4.768
92 H CYS 14 H CYS 14 -4.740 3.270 1.904
93 HA CYS 14 HA CYS 14 -6.240 5.696 1.436
94 HB2 CYS 14 2HB CYS 14 -7.141 4.414 -0.730
95 HB3 CYS 14 1HB CYS 14 -5.790 5.535 -0.814
96 HG CYS 14 HG CYS 14 -4.580 2.598 -0.095
97 H LEU 15 H LEU 15 -8.607 5.181 1.337
98 HA LEU 15 HA LEU 15 -9.217 2.966 3.086
99 HB2 LEU 15 2HB LEU 15 -11.611 4.040 1.957
100 HB3 LEU 15 1HB LEU 15 -11.017 4.166 3.595
101 HG LEU 15 HG LEU 15 -10.107 6.068 1.447
102 HD11 LEU 15 1HD1 LEU 15 -11.798 7.629 2.281
103 HD12 LEU 15 2HD1 LEU 15 -12.457 6.362 3.315
104 HD13 LEU 15 3HD1 LEU 15 -12.534 6.199 1.559
105 HD21 LEU 15 3HD2 LEU 15 -9.598 7.506 3.347
106 HD22 LEU 15 1HD2 LEU 15 -8.756 5.962 3.491
107 HD23 LEU 15 2HD2 LEU 15 -10.197 6.275 4.459
108 H CYS 16 H CYS 16 -8.619 1.203 1.961
109 HA CYS 16 HA CYS 16 -9.158 0.634 -0.716
110 HB2 CYS 16 2HB CYS 16 -7.415 -0.542 0.391
111 HB3 CYS 16 1HB CYS 16 -8.501 -1.107 1.650
112 HG CYS 16 HG CYS 16 -8.594 -2.142 -1.612
113 H GLU 17 H GLU 17 -10.464 -1.326 1.908
114 HA GLU 17 HA GLU 17 -12.881 -1.798 0.390
115 HB2 GLU 17 2HB GLU 17 -11.807 -3.624 1.668
116 HB3 GLU 17 1HB GLU 17 -12.077 -2.739 3.155
117 HG2 GLU 17 2HG GLU 17 -13.689 -4.515 2.901
118 HG3 GLU 17 1HG GLU 17 -14.484 -2.946 2.856
119 H GLY 18 H GLY 18 -15.001 -1.537 1.505
120 HA2 GLY 18 2HA GLY 18 -16.223 0.634 1.789
121 HA3 GLY 18 1HA GLY 18 -16.364 -0.428 3.173
122 H SER 19 H SER 19 -14.714 -0.068 4.930
123 HA SER 19 HA SER 19 -13.906 2.768 5.045
124 HB2 SER 19 2HB SER 19 -14.402 2.602 7.533
125 HB3 SER 19 1HB SER 19 -15.815 2.574 6.477
126 HG SER 19 HG SER 19 -15.316 0.856 8.309
127 H ASN 20 H ASN 20 -12.720 -0.218 4.795
128 HA ASN 20 HA ASN 20 -10.775 -0.191 6.920
129 HB2 ASN 20 2HB ASN 20 -11.096 -1.949 4.494
130 HB3 ASN 20 1HB ASN 20 -9.758 -2.119 5.620
131 HD21 ASN 20 1HD2 ASN 20 -13.004 -1.240 6.582
132 HD22 ASN 20 2HD2 ASN 20 -13.363 -2.714 7.411
133 H VAL 21 H VAL 21 -9.176 1.195 6.913
134 HA VAL 21 HA VAL 21 -8.119 2.225 4.397
135 HB VAL 21 HB VAL 21 -7.336 2.986 7.221
136 HG11 VAL 21 1HG1 VAL 21 -6.840 4.324 4.563
137 HG12 VAL 21 2HG1 VAL 21 -5.637 3.564 5.605
138 HG13 VAL 21 3HG1 VAL 21 -6.464 5.028 6.136
139 HG21 VAL 21 3HG2 VAL 21 -9.315 4.301 5.362
140 HG22 VAL 21 1HG2 VAL 21 -8.774 4.950 6.910
141 HG23 VAL 21 2HG2 VAL 21 -9.697 3.447 6.858
142 H CYS 22 H CYS 22 -6.713 0.912 3.468
143 HA CYS 22 HA CYS 22 -5.009 -0.896 4.844
144 HB2 CYS 22 2HB CYS 22 -5.756 -0.375 2.153
145 HB3 CYS 22 1HB CYS 22 -4.006 -0.265 2.229
146 HG CYS 22 HG CYS 22 -5.837 -2.955 3.264
147 H GLY 23 H GLY 23 -2.732 -0.760 5.177
148 HA2 GLY 23 2HA GLY 23 -1.649 1.961 4.936
149 HA3 GLY 23 1HA GLY 23 -1.543 1.104 6.461
150 H GLN 24 H GLN 24 0.748 1.338 6.391
151 HA GLN 24 HA GLN 24 2.146 0.175 4.129
152 HB2 GLN 24 2HB GLN 24 3.173 1.487 6.651
153 HB3 GLN 24 1HB GLN 24 4.206 0.875 5.368
154 HG2 GLN 24 2HG GLN 24 3.029 2.435 3.799
155 HG3 GLN 24 1HG GLN 24 2.228 3.134 5.205
156 HE21 GLN 24 1HE2 GLN 24 3.183 5.146 4.894
157 HE22 GLN 24 2HE2 GLN 24 4.865 5.434 5.195
158 H GLY 25 H GLY 25 2.767 -1.818 4.012
159 HA2 GLY 25 2HA GLY 25 3.466 -3.923 5.035
160 HA3 GLY 25 1HA GLY 25 2.479 -3.492 6.434
161 H ASN 26 H ASN 26 0.789 -2.339 4.012
162 HA ASN 26 HA ASN 26 -0.616 -4.847 3.389
163 HB2 ASN 26 2HB ASN 26 -1.897 -2.113 3.588
164 HB3 ASN 26 1HB ASN 26 -2.713 -3.651 3.363
165 HD21 ASN 26 1HD2 ASN 26 -0.858 -4.841 5.425
166 HD22 ASN 26 2HD2 ASN 26 -1.540 -4.351 6.938
167 H LYS 27 H LYS 27 -1.794 -4.738 1.312
168 HA LYS 27 HA LYS 27 -1.054 -2.592 -0.492
169 HB2 LYS 27 2HB LYS 27 0.773 -4.202 -0.782
170 HB3 LYS 27 1HB LYS 27 -0.389 -5.485 -1.093
171 HG2 LYS 27 2HG LYS 27 -0.894 -4.714 -3.190
172 HG3 LYS 27 1HG LYS 27 -0.452 -3.051 -2.802
173 HD2 LYS 27 2HD LYS 27 1.205 -3.925 -4.291
174 HD3 LYS 27 1HD LYS 27 1.925 -3.780 -2.687
175 HE2 LYS 27 2HE LYS 27 2.606 -5.870 -3.641
176 HE3 LYS 27 1HE LYS 27 1.479 -6.196 -2.326
177 HZ1 LYS 27 3HZ LYS 27 1.227 -7.435 -4.553
178 HZ2 LYS 27 1HZ LYS 27 0.495 -6.011 -5.103
179 HZ3 LYS 27 2HZ LYS 27 -0.161 -6.858 -3.784
180 H CYS 28 H CYS 28 -2.906 -2.004 -1.429
181 HA CYS 28 HA CYS 28 -5.141 -3.862 -1.411
182 HB2 CYS 28 2HB CYS 28 -5.697 -1.668 -0.634
183 HB3 CYS 28 1HB CYS 28 -4.922 -0.911 -2.019
184 HG CYS 28 HG CYS 28 -7.550 -0.479 -2.481
185 H ILE 29 H ILE 29 -5.865 -4.893 -3.116
186 HA ILE 29 HA ILE 29 -5.026 -3.986 -5.790
187 HB ILE 29 HB ILE 29 -5.312 -6.491 -6.407
188 HG12 ILE 29 2HG1 ILE 29 -4.701 -6.708 -3.456
189 HG13 ILE 29 1HG1 ILE 29 -6.242 -7.128 -4.195
190 HG21 ILE 29 1HG2 ILE 29 -3.198 -5.301 -6.535
191 HG22 ILE 29 2HG2 ILE 29 -2.943 -6.919 -5.883
192 HG23 ILE 29 3HG2 ILE 29 -2.945 -5.523 -4.806
193 HD11 ILE 29 3HD1 ILE 29 -5.083 -8.852 -5.527
194 HD12 ILE 29 1HD1 ILE 29 -4.975 -9.121 -3.787
195 HD13 ILE 29 2HD1 ILE 29 -3.593 -8.466 -4.666
196 H LEU 30 H LEU 30 -6.703 -3.205 -6.810
197 HA LEU 30 HA LEU 30 -9.411 -3.911 -6.063
198 HB2 LEU 30 2HB LEU 30 -8.332 -2.096 -8.240
199 HB3 LEU 30 1HB LEU 30 -10.034 -2.312 -7.886
200 HG LEU 30 HG LEU 30 -9.413 -1.494 -5.504
201 HD11 LEU 30 1HD1 LEU 30 -7.010 -1.596 -5.718
202 HD12 LEU 30 2HD1 LEU 30 -7.524 0.071 -5.463
203 HD13 LEU 30 3HD1 LEU 30 -7.057 -0.472 -7.075
204 HD21 LEU 30 3HD2 LEU 30 -9.730 0.826 -6.195
205 HD22 LEU 30 1HD2 LEU 30 -10.805 -0.258 -7.077
206 HD23 LEU 30 2HD2 LEU 30 -9.360 0.384 -7.862
207 H GLY 31 H GLY 31 -9.292 -6.183 -6.641
208 HA2 GLY 31 2HA GLY 31 -8.833 -6.852 -9.446
209 HA3 GLY 31 1HA GLY 31 -9.022 -7.990 -8.124
210 H ARG 32 H ARG 32 -10.905 -9.003 -7.917
211 HA ARG 32 HA ARG 32 -13.374 -7.824 -8.798
212 HB2 ARG 32 2HB ARG 32 -13.925 -9.272 -10.562
213 HB3 ARG 32 1HB ARG 32 -12.281 -8.768 -10.897
214 HG2 ARG 32 2HG ARG 32 -13.060 -11.405 -9.662
215 HG3 ARG 32 1HG ARG 32 -12.690 -11.149 -11.364
216 HD2 ARG 32 2HD ARG 32 -10.641 -11.846 -10.696
217 HD3 ARG 32 1HD ARG 32 -10.462 -10.136 -10.299
218 HE ARG 32 HE ARG 32 -11.545 -11.359 -8.058
219 HH11 ARG 32 1HH1 ARG 32 -8.607 -11.659 -9.947
220 HH12 ARG 32 2HH1 ARG 32 -7.634 -12.111 -8.586
221 HH21 ARG 32 1HH2 ARG 32 -10.283 -12.014 -6.285
222 HH22 ARG 32 2HH2 ARG 32 -8.597 -12.356 -6.495
223 H GLY 33 H GLY 33 -15.226 -9.473 -8.496
224 HA2 GLY 33 2HA GLY 33 -16.166 -11.216 -7.247
225 HA3 GLY 33 1HA GLY 33 -14.596 -11.563 -6.565
226 H ASP 34 H ASP 34 -15.313 -11.626 -4.442
227 HA ASP 34 HA ASP 34 -16.205 -9.104 -3.270
228 HB2 ASP 34 2HB ASP 34 -15.473 -11.784 -2.057
229 HB3 ASP 34 1HB ASP 34 -15.877 -10.371 -1.087
230 H SER 35 H SER 35 -13.575 -10.414 -4.521
231 HA SER 35 HA SER 35 -11.589 -9.088 -2.848
232 HB2 SER 35 2HB SER 35 -11.497 -10.984 -5.181
233 HB3 SER 35 1HB SER 35 -10.058 -10.214 -4.554
234 HG SER 35 HG SER 35 -10.348 -11.262 -2.606
235 H LYS 36 H LYS 36 -13.637 -7.757 -4.502
236 HA LYS 36 HA LYS 36 -12.664 -6.711 -6.898
237 HB2 LYS 36 2HB LYS 36 -14.301 -4.846 -6.427
238 HB3 LYS 36 1HB LYS 36 -14.976 -6.469 -6.333
239 HG2 LYS 36 2HG LYS 36 -14.911 -6.436 -3.946
240 HG3 LYS 36 1HG LYS 36 -14.019 -4.920 -3.945
241 HD2 LYS 36 2HD LYS 36 -16.193 -4.178 -5.344
242 HD3 LYS 36 1HD LYS 36 -16.900 -5.446 -4.342
243 HE2 LYS 36 2HE LYS 36 -15.519 -2.923 -3.456
244 HE3 LYS 36 1HE LYS 36 -17.177 -3.425 -3.143
245 HZ1 LYS 36 3HZ LYS 36 -14.734 -4.700 -2.034
246 HZ2 LYS 36 1HZ LYS 36 -16.320 -5.215 -1.735
247 HZ3 LYS 36 2HZ LYS 36 -15.792 -3.699 -1.183
248 H ASN 37 H ASN 37 -11.986 -5.887 -3.620
249 HA ASN 37 HA ASN 37 -9.776 -4.197 -4.390
250 HB2 ASN 37 2HB ASN 37 -10.524 -2.380 -2.857
251 HB3 ASN 37 1HB ASN 37 -11.585 -2.586 -4.245
252 HD21 ASN 37 1HD2 ASN 37 -12.195 -1.364 -1.720
253 HD22 ASN 37 2HD2 ASN 37 -13.484 -2.282 -1.033
254 H GLN 38 H GLN 38 -8.563 -5.952 -3.485
255 HA GLN 38 HA GLN 38 -9.337 -6.737 -0.781
256 HB2 GLN 38 2HB GLN 38 -8.933 -8.420 -2.640
257 HB3 GLN 38 1HB GLN 38 -7.222 -8.053 -2.469
258 HG2 GLN 38 2HG GLN 38 -7.514 -9.928 -1.149
259 HG3 GLN 38 1HG GLN 38 -7.567 -8.605 0.010
260 HE21 GLN 38 1HE2 GLN 38 -9.537 -8.056 0.970
261 HE22 GLN 38 2HE2 GLN 38 -10.890 -9.126 0.942
262 H CYS 39 H CYS 39 -8.204 -6.368 0.955
263 HA CYS 39 HA CYS 39 -5.716 -4.892 0.803
264 HB2 CYS 39 2HB CYS 39 -7.544 -5.673 3.056
265 HB3 CYS 39 1HB CYS 39 -5.950 -5.002 3.362
266 HG CYS 39 HG CYS 39 -7.915 -3.235 1.277
267 H VAL 40 H VAL 40 -4.272 -6.462 -0.010
268 HA VAL 40 HA VAL 40 -3.956 -8.918 1.519
269 HB VAL 40 HB VAL 40 -3.751 -8.674 -1.047
270 HG11 VAL 40 1HG1 VAL 40 -0.986 -7.805 -0.245
271 HG12 VAL 40 2HG1 VAL 40 -2.180 -6.850 -1.125
272 HG13 VAL 40 3HG1 VAL 40 -1.475 -8.285 -1.870
273 HG21 VAL 40 3HG2 VAL 40 -1.707 -10.210 0.545
274 HG22 VAL 40 1HG2 VAL 40 -2.110 -10.513 -1.146
275 HG23 VAL 40 2HG2 VAL 40 -3.328 -10.748 0.106
276 H THR 41 H THR 41 -1.945 -9.492 2.528
277 HA THR 41 HA THR 41 -0.639 -7.177 3.700
278 HB THR 41 HB THR 41 0.531 -8.993 5.089
279 HG1 THR 41 HG1 THR 41 -0.773 -10.982 5.123
280 HG21 THR 41 3HG2 THR 41 -1.421 -9.226 6.562
281 HG22 THR 41 1HG2 THR 41 -2.471 -8.675 5.256
282 HG23 THR 41 2HG2 THR 41 -1.274 -7.580 5.947
283 H GLY 42 H GLY 42 1.176 -6.403 2.959
284 HA2 GLY 42 2HA GLY 42 3.409 -7.882 2.118
285 HA3 GLY 42 1HA GLY 42 2.486 -7.406 0.699
286 H GLU 43 H GLU 43 3.560 -5.760 -0.204
287 HA GLU 43 HA GLU 43 3.953 -3.390 1.467
288 HB2 GLU 43 2HB GLU 43 6.060 -4.605 -0.330
289 HB3 GLU 43 1HB GLU 43 6.146 -2.967 0.305
290 HG2 GLU 43 2HG GLU 43 6.134 -3.832 2.575
291 HG3 GLU 43 1HG GLU 43 6.023 -5.478 1.958
292 H GLY 44 H GLY 44 2.710 -1.924 0.620
293 HA2 GLY 44 2HA GLY 44 2.163 -2.004 -2.259
294 HA3 GLY 44 1HA GLY 44 1.190 -1.190 -1.047
295 H THR 45 H THR 45 1.161 0.758 -2.050
296 HA THR 45 HA THR 45 3.559 2.355 -1.657
297 HB THR 45 HB THR 45 2.325 3.218 -4.098
298 HG1 THR 45 HG1 THR 45 2.100 0.682 -3.974
299 HG21 THR 45 3HG2 THR 45 4.581 3.810 -3.384
300 HG22 THR 45 1HG2 THR 45 4.622 3.013 -4.956
301 HG23 THR 45 2HG2 THR 45 5.077 2.123 -3.504
302 HA PRO 46 HA PRO 46 0.556 5.258 -0.019
303 HB2 PRO 46 2HB PRO 46 2.618 7.148 -1.070
304 HB3 PRO 46 1HB PRO 46 1.823 7.117 0.509
305 HG2 PRO 46 2HG PRO 46 4.326 6.253 0.247
306 HG3 PRO 46 1HG PRO 46 3.181 5.412 1.308
307 HD2 PRO 46 2HD PRO 46 4.193 4.632 -1.386
308 HD3 PRO 46 1HD PRO 46 3.762 3.610 0.000
309 H LYS 47 H LYS 47 -1.118 6.255 -0.997
310 HA LYS 47 HA LYS 47 -1.198 6.245 -3.878
311 HB2 LYS 47 2HB LYS 47 -3.021 5.354 -2.426
312 HB3 LYS 47 1HB LYS 47 -3.284 6.984 -1.816
313 HG2 LYS 47 2HG LYS 47 -3.557 7.566 -4.325
314 HG3 LYS 47 1HG LYS 47 -3.862 5.845 -4.486
315 HD2 LYS 47 2HD LYS 47 -5.742 5.926 -3.087
316 HD3 LYS 47 1HD LYS 47 -5.302 7.519 -2.461
317 HE2 LYS 47 2HE LYS 47 -5.883 7.071 -5.349
318 HE3 LYS 47 1HE LYS 47 -7.188 7.374 -4.204
319 HZ1 LYS 47 3HZ LYS 47 -6.160 9.479 -3.641
320 HZ2 LYS 47 1HZ LYS 47 -6.445 9.399 -5.309
321 HZ3 LYS 47 2HZ LYS 47 -4.878 9.177 -4.709
322 HA PRO 48 HA PRO 48 0.167 10.512 -4.122
323 HB2 PRO 48 2HB PRO 48 -1.418 10.317 -6.647
324 HB3 PRO 48 1HB PRO 48 0.212 10.952 -6.383
325 HG2 PRO 48 2HG PRO 48 -0.139 8.547 -7.466
326 HG3 PRO 48 1HG PRO 48 1.165 8.838 -6.300
327 HD2 PRO 48 2HD PRO 48 -1.426 7.411 -5.928
328 HD3 PRO 48 1HD PRO 48 0.156 7.094 -5.189
329 H GLN 49 H GLN 49 -0.656 12.368 -3.567
330 HA GLN 49 HA GLN 49 -3.576 12.618 -3.401
331 HB2 GLN 49 2HB GLN 49 -3.061 13.595 -1.033
332 HB3 GLN 49 1HB GLN 49 -3.189 11.859 -1.265
333 HG2 GLN 49 2HG GLN 49 -0.747 11.725 -1.449
334 HG3 GLN 49 1HG GLN 49 -0.646 13.446 -1.102
335 HE21 GLN 49 1HE2 GLN 49 -2.961 11.300 0.386
336 HE22 GLN 49 2HE2 GLN 49 -2.284 11.352 1.971
337 H SER 50 H SER 50 -0.408 14.176 -3.294
338 HA SER 50 HA SER 50 -1.663 16.788 -3.584
339 HB2 SER 50 2HB SER 50 1.251 15.969 -3.570
340 HB3 SER 50 1HB SER 50 0.674 17.636 -3.644
341 HG SER 50 HG SER 50 1.043 16.126 -1.497
342 H HIS 51 H HIS 51 0.773 14.998 -5.519
343 HA HIS 51 HA HIS 51 0.150 16.657 -7.813
344 HB2 HIS 51 2HB HIS 51 1.999 14.288 -7.575
345 HB3 HIS 51 1HB HIS 51 1.906 15.383 -8.951
346 HD1 HIS 51 HD1 HIS 51 3.599 14.935 -5.759
347 HD2 HIS 51 HD2 HIS 51 2.663 18.114 -8.261
348 HE1 HIS 51 HE1 HIS 51 5.060 16.838 -5.012
349 HE2 HIS 51 HE2 HIS 51 4.204 18.818 -6.319
Start of MODEL 6
1 H1 VAL 1 1H VAL 1 -5.435 12.532 9.343
2 H2 VAL 1 2H VAL 1 -5.010 14.086 8.823
3 H3 VAL 1 3H VAL 1 -3.857 13.103 9.585
4 HA VAL 1 HA VAL 1 -3.553 13.233 7.174
5 HB VAL 1 HB VAL 1 -3.480 10.760 6.751
6 HG11 VAL 1 1HG1 VAL 1 -2.368 11.716 9.388
7 HG12 VAL 1 2HG1 VAL 1 -1.609 11.892 7.805
8 HG13 VAL 1 3HG1 VAL 1 -1.824 10.288 8.507
9 HG21 VAL 1 3HG2 VAL 1 -4.020 9.252 8.621
10 HG22 VAL 1 1HG2 VAL 1 -5.449 10.081 8.003
11 HG23 VAL 1 2HG2 VAL 1 -4.701 10.616 9.508
12 H VAL 2 H VAL 2 -4.413 13.193 5.167
13 HA VAL 2 HA VAL 2 -7.308 12.632 5.009
14 HB VAL 2 HB VAL 2 -5.715 14.543 3.290
15 HG11 VAL 2 1HG1 VAL 2 -7.917 15.308 2.515
16 HG12 VAL 2 2HG1 VAL 2 -8.683 14.038 3.471
17 HG13 VAL 2 3HG1 VAL 2 -7.628 13.614 2.122
18 HG21 VAL 2 3HG2 VAL 2 -6.856 16.331 4.489
19 HG22 VAL 2 1HG2 VAL 2 -5.888 15.350 5.590
20 HG23 VAL 2 2HG2 VAL 2 -7.639 15.144 5.531
21 H TYR 3 H TYR 3 -7.627 10.739 4.041
22 HA TYR 3 HA TYR 3 -5.921 10.047 1.744
23 HB2 TYR 3 2HB TYR 3 -7.329 8.217 3.697
24 HB3 TYR 3 1HB TYR 3 -6.530 7.669 2.230
25 HD1 TYR 3 HD2 TYR 3 -4.021 9.095 2.175
26 HD2 TYR 3 HD1 TYR 3 -6.124 7.506 5.511
27 HE1 TYR 3 HE2 TYR 3 -1.902 8.892 3.410
28 HE2 TYR 3 HE1 TYR 3 -4.016 7.296 6.751
29 HH TYR 3 HH TYR 3 -1.133 8.763 5.778
30 H THR 4 H THR 4 -7.023 8.533 0.209
31 HA THR 4 HA THR 4 -9.858 9.188 -0.141
32 HB THR 4 HB THR 4 -9.220 9.011 -2.680
33 HG1 THR 4 HG1 THR 4 -6.805 10.184 -1.879
34 HG21 THR 4 3HG2 THR 4 -8.850 11.430 -2.773
35 HG22 THR 4 1HG2 THR 4 -8.500 11.448 -1.044
36 HG23 THR 4 2HG2 THR 4 -10.115 11.028 -1.613
37 H ASP 5 H ASP 5 -10.455 7.563 -2.263
38 HA ASP 5 HA ASP 5 -10.064 4.933 -1.058
39 HB2 ASP 5 2HB ASP 5 -11.707 5.636 -3.510
40 HB3 ASP 5 1HB ASP 5 -11.829 4.179 -2.530
41 H CYS 6 H CYS 6 -9.228 3.121 -2.300
42 HA CYS 6 HA CYS 6 -6.845 3.771 -3.619
43 HB2 CYS 6 2HB CYS 6 -8.348 1.171 -3.846
44 HB3 CYS 6 1HB CYS 6 -6.651 1.445 -4.231
45 HG CYS 6 HG CYS 6 -5.754 1.566 -1.703
46 H THR 7 H THR 7 -6.197 3.819 -5.708
47 HA THR 7 HA THR 7 -8.308 3.693 -7.740
48 HB THR 7 HB THR 7 -6.335 4.947 -8.960
49 HG1 THR 7 HG1 THR 7 -4.981 5.971 -7.670
50 HG21 THR 7 3HG2 THR 7 -7.405 7.084 -8.367
51 HG22 THR 7 1HG2 THR 7 -8.251 6.269 -7.051
52 HG23 THR 7 2HG2 THR 7 -8.593 5.829 -8.726
53 H GLU 8 H GLU 8 -5.345 2.327 -6.664
54 HA GLU 8 HA GLU 8 -5.026 0.859 -9.179
55 HB2 GLU 8 2HB GLU 8 -2.993 2.536 -7.745
56 HB3 GLU 8 1HB GLU 8 -2.498 1.242 -8.813
57 HG2 GLU 8 2HG GLU 8 -3.639 2.313 -10.672
58 HG3 GLU 8 1HG GLU 8 -4.227 3.579 -9.595
59 H SER 9 H SER 9 -3.846 -1.083 -9.004
60 HA SER 9 HA SER 9 -4.134 -2.339 -6.400
61 HB2 SER 9 2HB SER 9 -3.315 -3.526 -9.071
62 HB3 SER 9 1HB SER 9 -3.731 -4.429 -7.613
63 HG SER 9 HG SER 9 -5.366 -3.227 -9.474
64 H GLY 10 H GLY 10 -2.448 -2.584 -5.049
65 HA2 GLY 10 2HA GLY 10 -0.073 -3.102 -4.737
66 HA3 GLY 10 1HA GLY 10 0.263 -2.092 -6.138
67 H GLN 11 H GLN 11 -2.044 -0.412 -4.854
68 HA GLN 11 HA GLN 11 -0.257 1.352 -3.362
69 HB2 GLN 11 2HB GLN 11 -2.763 1.635 -4.839
70 HB3 GLN 11 1HB GLN 11 -2.843 2.433 -3.265
71 HG2 GLN 11 2HG GLN 11 -1.784 4.136 -4.154
72 HG3 GLN 11 1HG GLN 11 -0.363 3.128 -4.350
73 HE21 GLN 11 1HE2 GLN 11 -3.144 4.528 -5.888
74 HE22 GLN 11 2HE2 GLN 11 -2.608 4.273 -7.518
75 H ASN 12 H ASN 12 -1.105 2.265 -1.226
76 HA ASN 12 HA ASN 12 -2.791 0.308 0.145
77 HB2 ASN 12 2HB ASN 12 -1.280 0.604 2.182
78 HB3 ASN 12 1HB ASN 12 -0.771 -0.480 0.902
79 HD21 ASN 12 1HD2 ASN 12 1.341 -0.318 1.672
80 HD22 ASN 12 2HD2 ASN 12 2.327 1.065 1.335
81 H LEU 13 H LEU 13 -1.152 3.382 0.782
82 HA LEU 13 HA LEU 13 -2.733 4.272 2.886
83 HB2 LEU 13 2HB LEU 13 -1.184 5.847 0.835
84 HB3 LEU 13 1HB LEU 13 -1.877 6.546 2.285
85 HG LEU 13 HG LEU 13 0.178 4.332 2.327
86 HD11 LEU 13 1HD1 LEU 13 1.138 6.319 1.299
87 HD12 LEU 13 2HD1 LEU 13 1.789 6.081 2.921
88 HD13 LEU 13 3HD1 LEU 13 0.555 7.309 2.636
89 HD21 LEU 13 3HD2 LEU 13 -1.308 4.595 4.312
90 HD22 LEU 13 1HD2 LEU 13 -0.703 6.238 4.491
91 HD23 LEU 13 2HD2 LEU 13 0.399 4.869 4.653
92 H CYS 14 H CYS 14 -4.753 3.438 1.689
93 HA CYS 14 HA CYS 14 -6.353 5.758 1.052
94 HB2 CYS 14 2HB CYS 14 -7.256 4.207 -0.958
95 HB3 CYS 14 1HB CYS 14 -6.023 5.443 -1.173
96 HG CYS 14 HG CYS 14 -4.660 2.572 -0.267
97 H LEU 15 H LEU 15 -8.716 5.146 0.937
98 HA LEU 15 HA LEU 15 -9.325 3.084 2.880
99 HB2 LEU 15 2HB LEU 15 -11.573 4.247 1.362
100 HB3 LEU 15 1HB LEU 15 -11.376 4.024 3.082
101 HG LEU 15 HG LEU 15 -10.073 6.264 1.533
102 HD11 LEU 15 1HD1 LEU 15 -11.783 7.696 2.510
103 HD12 LEU 15 2HD1 LEU 15 -12.559 6.289 3.239
104 HD13 LEU 15 3HD1 LEU 15 -12.508 6.459 1.484
105 HD21 LEU 15 3HD2 LEU 15 -10.435 5.820 4.494
106 HD22 LEU 15 1HD2 LEU 15 -9.685 7.224 3.736
107 HD23 LEU 15 2HD2 LEU 15 -8.922 5.640 3.605
108 H CYS 16 H CYS 16 -8.878 1.166 2.047
109 HA CYS 16 HA CYS 16 -9.239 0.496 -0.688
110 HB2 CYS 16 2HB CYS 16 -7.414 -0.348 0.749
111 HB3 CYS 16 1HB CYS 16 -8.597 -1.253 1.681
112 HG CYS 16 HG CYS 16 -6.859 -2.437 -0.603
113 H GLU 17 H GLU 17 -10.399 -1.349 2.092
114 HA GLU 17 HA GLU 17 -12.802 -2.112 0.609
115 HB2 GLU 17 2HB GLU 17 -11.263 -3.644 2.117
116 HB3 GLU 17 1HB GLU 17 -12.201 -2.929 3.423
117 HG2 GLU 17 2HG GLU 17 -14.263 -3.734 2.331
118 HG3 GLU 17 1HG GLU 17 -13.265 -4.555 1.129
119 H GLY 18 H GLY 18 -14.896 -1.633 1.420
120 HA2 GLY 18 2HA GLY 18 -16.396 -0.020 2.243
121 HA3 GLY 18 1HA GLY 18 -15.924 -0.865 3.705
122 H SER 19 H SER 19 -14.633 0.139 5.203
123 HA SER 19 HA SER 19 -13.642 2.834 4.563
124 HB2 SER 19 2HB SER 19 -14.150 3.127 7.177
125 HB3 SER 19 1HB SER 19 -15.349 3.510 5.942
126 HG SER 19 HG SER 19 -15.148 0.948 7.155
127 H ASN 20 H ASN 20 -12.298 0.273 4.531
128 HA ASN 20 HA ASN 20 -10.571 0.194 6.854
129 HB2 ASN 20 2HB ASN 20 -10.486 -1.290 4.215
130 HB3 ASN 20 1HB ASN 20 -9.294 -1.508 5.489
131 HD21 ASN 20 1HD2 ASN 20 -12.725 -1.021 6.018
132 HD22 ASN 20 2HD2 ASN 20 -13.037 -2.599 6.643
133 H VAL 21 H VAL 21 -9.068 1.686 7.100
134 HA VAL 21 HA VAL 21 -7.967 3.068 4.783
135 HB VAL 21 HB VAL 21 -7.253 3.453 7.698
136 HG11 VAL 21 1HG1 VAL 21 -6.505 5.665 6.979
137 HG12 VAL 21 2HG1 VAL 21 -6.950 5.283 5.317
138 HG13 VAL 21 3HG1 VAL 21 -5.651 4.392 6.109
139 HG21 VAL 21 3HG2 VAL 21 -9.645 3.770 7.442
140 HG22 VAL 21 1HG2 VAL 21 -9.376 4.863 6.085
141 HG23 VAL 21 2HG2 VAL 21 -8.850 5.323 7.703
142 H CYS 22 H CYS 22 -6.692 1.511 3.790
143 HA CYS 22 HA CYS 22 -4.864 -0.128 5.224
144 HB2 CYS 22 2HB CYS 22 -5.791 0.040 2.538
145 HB3 CYS 22 1HB CYS 22 -4.042 0.184 2.498
146 HG CYS 22 HG CYS 22 -5.860 -2.415 3.742
147 H GLY 23 H GLY 23 -2.634 0.006 5.347
148 HA2 GLY 23 2HA GLY 23 -1.438 2.591 4.654
149 HA3 GLY 23 1HA GLY 23 -1.305 1.990 6.303
150 H GLN 24 H GLN 24 0.984 1.855 6.177
151 HA GLN 24 HA GLN 24 2.069 0.207 4.047
152 HB2 GLN 24 2HB GLN 24 3.238 2.294 4.753
153 HB3 GLN 24 1HB GLN 24 3.554 1.545 6.316
154 HG2 GLN 24 2HG GLN 24 5.478 1.428 4.773
155 HG3 GLN 24 1HG GLN 24 4.906 -0.161 5.285
156 HE21 GLN 24 1HE2 GLN 24 5.256 2.057 2.654
157 HE22 GLN 24 2HE2 GLN 24 4.838 0.937 1.396
158 H GLY 25 H GLY 25 3.031 -1.760 4.329
159 HA2 GLY 25 2HA GLY 25 3.461 -3.737 5.612
160 HA3 GLY 25 1HA GLY 25 2.385 -3.116 6.867
161 H ASN 26 H ASN 26 0.767 -2.212 4.363
162 HA ASN 26 HA ASN 26 -0.438 -4.811 3.713
163 HB2 ASN 26 2HB ASN 26 -1.818 -2.199 4.343
164 HB3 ASN 26 1HB ASN 26 -2.625 -3.528 3.521
165 HD21 ASN 26 1HD2 ASN 26 -1.258 -2.415 6.518
166 HD22 ASN 26 2HD2 ASN 26 -1.958 -3.643 7.521
167 H LYS 27 H LYS 27 -1.507 -4.867 1.633
168 HA LYS 27 HA LYS 27 -0.776 -2.723 -0.221
169 HB2 LYS 27 2HB LYS 27 0.995 -4.403 -0.395
170 HB3 LYS 27 1HB LYS 27 -0.201 -5.662 -0.658
171 HG2 LYS 27 2HG LYS 27 -0.468 -5.138 -2.824
172 HG3 LYS 27 1HG LYS 27 -0.316 -3.404 -2.536
173 HD2 LYS 27 2HD LYS 27 1.557 -4.149 -3.859
174 HD3 LYS 27 1HD LYS 27 2.124 -3.704 -2.248
175 HE2 LYS 27 2HE LYS 27 3.243 -5.699 -2.730
176 HE3 LYS 27 1HE LYS 27 1.913 -6.190 -1.682
177 HZ1 LYS 27 3HZ LYS 27 1.915 -6.366 -4.649
178 HZ2 LYS 27 1HZ LYS 27 0.675 -6.900 -3.622
179 HZ3 LYS 27 2HZ LYS 27 2.189 -7.665 -3.598
180 H CYS 28 H CYS 28 -2.558 -2.141 -1.314
181 HA CYS 28 HA CYS 28 -4.900 -3.849 -1.179
182 HB2 CYS 28 2HB CYS 28 -4.536 -1.029 -2.196
183 HB3 CYS 28 1HB CYS 28 -6.075 -1.871 -2.075
184 HG CYS 28 HG CYS 28 -4.415 -1.856 0.805
185 H ILE 29 H ILE 29 -5.962 -4.689 -2.913
186 HA ILE 29 HA ILE 29 -4.877 -4.139 -5.576
187 HB ILE 29 HB ILE 29 -5.354 -6.623 -6.077
188 HG12 ILE 29 2HG1 ILE 29 -4.910 -6.752 -3.092
189 HG13 ILE 29 1HG1 ILE 29 -6.445 -7.070 -3.897
190 HG21 ILE 29 1HG2 ILE 29 -3.072 -7.244 -5.451
191 HG22 ILE 29 2HG2 ILE 29 -2.977 -5.831 -4.401
192 HG23 ILE 29 3HG2 ILE 29 -3.136 -5.626 -6.144
193 HD11 ILE 29 3HD1 ILE 29 -3.911 -8.654 -4.266
194 HD12 ILE 29 1HD1 ILE 29 -5.467 -8.988 -5.027
195 HD13 ILE 29 2HD1 ILE 29 -5.291 -9.129 -3.279
196 H LEU 30 H LEU 30 -6.356 -3.727 -7.019
197 HA LEU 30 HA LEU 30 -9.165 -4.080 -6.370
198 HB2 LEU 30 2HB LEU 30 -7.764 -2.649 -8.633
199 HB3 LEU 30 1HB LEU 30 -9.506 -2.793 -8.513
200 HG LEU 30 HG LEU 30 -9.298 -1.623 -6.256
201 HD11 LEU 30 1HD1 LEU 30 -6.908 -1.925 -5.937
202 HD12 LEU 30 2HD1 LEU 30 -7.359 -0.219 -5.913
203 HD13 LEU 30 3HD1 LEU 30 -6.592 -0.910 -7.344
204 HD21 LEU 30 3HD2 LEU 30 -10.192 -0.554 -8.256
205 HD22 LEU 30 1HD2 LEU 30 -8.558 -0.111 -8.753
206 HD23 LEU 30 2HD2 LEU 30 -9.254 0.583 -7.288
207 H GLY 31 H GLY 31 -10.197 -5.861 -7.005
208 HA2 GLY 31 2HA GLY 31 -9.147 -7.268 -9.375
209 HA3 GLY 31 1HA GLY 31 -9.700 -8.115 -7.939
210 H ARG 32 H ARG 32 -11.673 -8.877 -7.986
211 HA ARG 32 HA ARG 32 -13.696 -7.629 -9.683
212 HB2 ARG 32 2HB ARG 32 -14.201 -10.176 -10.337
213 HB3 ARG 32 1HB ARG 32 -13.155 -9.141 -11.298
214 HG2 ARG 32 2HG ARG 32 -11.271 -10.251 -10.699
215 HG3 ARG 32 1HG ARG 32 -11.894 -10.678 -9.105
216 HD2 ARG 32 2HD ARG 32 -13.009 -11.890 -11.615
217 HD3 ARG 32 1HD ARG 32 -11.590 -12.563 -10.811
218 HE ARG 32 HE ARG 32 -13.043 -12.779 -8.799
219 HH11 ARG 32 1HH1 ARG 32 -14.470 -12.657 -11.994
220 HH12 ARG 32 2HH1 ARG 32 -15.894 -13.544 -11.530
221 HH21 ARG 32 1HH2 ARG 32 -14.901 -13.936 -8.179
222 HH22 ARG 32 2HH2 ARG 32 -16.147 -14.262 -9.358
223 H GLY 33 H GLY 33 -15.866 -8.457 -9.312
224 HA2 GLY 33 2HA GLY 33 -17.588 -9.252 -8.006
225 HA3 GLY 33 1HA GLY 33 -16.417 -10.243 -7.147
226 H ASP 34 H ASP 34 -16.493 -9.844 -5.055
227 HA ASP 34 HA ASP 34 -17.080 -7.135 -4.120
228 HB2 ASP 34 2HB ASP 34 -16.821 -9.760 -2.635
229 HB3 ASP 34 1HB ASP 34 -17.116 -8.214 -1.848
230 H SER 35 H SER 35 -14.492 -9.069 -4.910
231 HA SER 35 HA SER 35 -12.625 -7.853 -3.038
232 HB2 SER 35 2HB SER 35 -12.375 -10.246 -3.600
233 HB3 SER 35 1HB SER 35 -12.164 -9.826 -5.298
234 HG SER 35 HG SER 35 -10.344 -8.458 -4.387
235 H LYS 36 H LYS 36 -14.092 -6.232 -4.950
236 HA LYS 36 HA LYS 36 -12.486 -5.479 -7.134
237 HB2 LYS 36 2HB LYS 36 -13.886 -3.347 -7.053
238 HB3 LYS 36 1HB LYS 36 -14.744 -4.860 -7.283
239 HG2 LYS 36 2HG LYS 36 -16.063 -3.699 -5.776
240 HG3 LYS 36 1HG LYS 36 -15.151 -4.788 -4.742
241 HD2 LYS 36 2HD LYS 36 -13.584 -2.940 -4.241
242 HD3 LYS 36 1HD LYS 36 -14.584 -1.870 -5.223
243 HE2 LYS 36 2HE LYS 36 -16.510 -2.451 -3.721
244 HE3 LYS 36 1HE LYS 36 -15.361 -3.286 -2.682
245 HZ1 LYS 36 3HZ LYS 36 -15.500 -0.387 -3.286
246 HZ2 LYS 36 1HZ LYS 36 -14.146 -1.097 -2.557
247 HZ3 LYS 36 2HZ LYS 36 -15.647 -1.153 -1.782
248 H ASN 37 H ASN 37 -12.281 -4.809 -3.808
249 HA ASN 37 HA ASN 37 -9.792 -3.419 -4.197
250 HB2 ASN 37 2HB ASN 37 -11.993 -1.813 -3.934
251 HB3 ASN 37 1HB ASN 37 -11.519 -2.014 -2.252
252 HD21 ASN 37 1HD2 ASN 37 -8.672 -2.252 -2.892
253 HD22 ASN 37 2HD2 ASN 37 -8.151 -0.657 -3.291
254 H GLN 38 H GLN 38 -8.711 -5.033 -3.104
255 HA GLN 38 HA GLN 38 -9.758 -5.730 -0.428
256 HB2 GLN 38 2HB GLN 38 -9.904 -7.485 -2.295
257 HB3 GLN 38 1HB GLN 38 -8.156 -7.595 -2.173
258 HG2 GLN 38 2HG GLN 38 -8.996 -9.350 -0.878
259 HG3 GLN 38 1HG GLN 38 -8.485 -8.120 0.274
260 HE21 GLN 38 1HE2 GLN 38 -10.883 -6.456 -0.288
261 HE22 GLN 38 2HE2 GLN 38 -12.173 -7.243 0.544
262 H CYS 39 H CYS 39 -8.255 -6.113 1.239
263 HA CYS 39 HA CYS 39 -5.657 -4.854 0.809
264 HB2 CYS 39 2HB CYS 39 -7.266 -5.385 3.296
265 HB3 CYS 39 1HB CYS 39 -5.625 -4.768 3.330
266 HG CYS 39 HG CYS 39 -7.695 -2.986 1.401
267 H VAL 40 H VAL 40 -4.047 -6.254 0.404
268 HA VAL 40 HA VAL 40 -3.993 -8.788 1.884
269 HB VAL 40 HB VAL 40 -3.695 -8.508 -0.703
270 HG11 VAL 40 1HG1 VAL 40 -0.887 -7.987 0.251
271 HG12 VAL 40 2HG1 VAL 40 -1.911 -6.885 -0.670
272 HG13 VAL 40 3HG1 VAL 40 -1.347 -8.386 -1.405
273 HG21 VAL 40 3HG2 VAL 40 -1.909 -10.298 0.935
274 HG22 VAL 40 1HG2 VAL 40 -2.311 -10.531 -0.767
275 HG23 VAL 40 2HG2 VAL 40 -3.576 -10.628 0.459
276 H THR 41 H THR 41 -1.923 -9.411 2.875
277 HA THR 41 HA THR 41 -0.713 -7.078 4.125
278 HB THR 41 HB THR 41 0.393 -8.784 5.635
279 HG1 THR 41 HG1 THR 41 -1.470 -10.559 4.391
280 HG21 THR 41 3HG2 THR 41 -2.623 -8.747 5.516
281 HG22 THR 41 1HG2 THR 41 -1.595 -7.564 6.328
282 HG23 THR 41 2HG2 THR 41 -1.659 -9.228 6.912
283 H GLY 42 H GLY 42 1.181 -6.297 3.585
284 HA2 GLY 42 2HA GLY 42 3.484 -7.711 2.931
285 HA3 GLY 42 1HA GLY 42 2.683 -7.314 1.415
286 H GLU 43 H GLU 43 3.519 -5.542 0.507
287 HA GLU 43 HA GLU 43 3.586 -3.120 2.091
288 HB2 GLU 43 2HB GLU 43 5.877 -2.516 1.371
289 HB3 GLU 43 1HB GLU 43 5.829 -3.889 2.465
290 HG2 GLU 43 2HG GLU 43 5.977 -5.364 0.432
291 HG3 GLU 43 1HG GLU 43 6.322 -3.902 -0.493
292 H GLY 44 H GLY 44 2.739 -1.519 0.953
293 HA2 GLY 44 2HA GLY 44 2.412 -1.973 -1.930
294 HA3 GLY 44 1HA GLY 44 1.285 -1.091 -0.917
295 H THR 45 H THR 45 1.316 0.685 -2.252
296 HA THR 45 HA THR 45 3.739 2.330 -2.085
297 HB THR 45 HB THR 45 2.506 3.114 -4.442
298 HG1 THR 45 HG1 THR 45 2.190 0.371 -4.052
299 HG21 THR 45 3HG2 THR 45 4.504 2.186 -5.544
300 HG22 THR 45 1HG2 THR 45 4.876 1.273 -4.082
301 HG23 THR 45 2HG2 THR 45 4.915 3.036 -4.055
302 HA PRO 46 HA PRO 46 0.919 5.451 -0.614
303 HB2 PRO 46 2HB PRO 46 2.690 7.350 -2.046
304 HB3 PRO 46 1HB PRO 46 2.221 7.323 -0.344
305 HG2 PRO 46 2HG PRO 46 4.679 6.603 -1.117
306 HG3 PRO 46 1HG PRO 46 3.852 5.779 0.218
307 HD2 PRO 46 2HD PRO 46 4.263 4.882 -2.603
308 HD3 PRO 46 1HD PRO 46 4.296 3.937 -1.100
309 H LYS 47 H LYS 47 -0.883 6.339 -1.478
310 HA LYS 47 HA LYS 47 -1.269 5.961 -4.305
311 HB2 LYS 47 2HB LYS 47 -2.883 5.142 -2.586
312 HB3 LYS 47 1HB LYS 47 -3.210 6.817 -2.151
313 HG2 LYS 47 2HG LYS 47 -3.714 7.050 -4.693
314 HG3 LYS 47 1HG LYS 47 -3.944 5.313 -4.587
315 HD2 LYS 47 2HD LYS 47 -5.718 5.516 -3.081
316 HD3 LYS 47 1HD LYS 47 -5.297 7.185 -2.680
317 HE2 LYS 47 2HE LYS 47 -5.926 6.566 -5.493
318 HE3 LYS 47 1HE LYS 47 -7.272 6.559 -4.356
319 HZ1 LYS 47 3HZ LYS 47 -6.971 8.722 -5.405
320 HZ2 LYS 47 1HZ LYS 47 -5.391 8.822 -4.793
321 HZ3 LYS 47 2HZ LYS 47 -6.713 8.817 -3.732
322 HA PRO 48 HA PRO 48 -0.953 10.307 -5.500
323 HB2 PRO 48 2HB PRO 48 -3.207 9.366 -7.230
324 HB3 PRO 48 1HB PRO 48 -1.795 10.339 -7.660
325 HG2 PRO 48 2HG PRO 48 -1.886 7.758 -8.289
326 HG3 PRO 48 1HG PRO 48 -0.377 8.495 -7.716
327 HD2 PRO 48 2HD PRO 48 -2.270 6.692 -6.292
328 HD3 PRO 48 1HD PRO 48 -0.507 6.828 -6.139
329 H GLN 49 H GLN 49 -2.103 12.109 -5.000
330 HA GLN 49 HA GLN 49 -4.562 11.649 -3.451
331 HB2 GLN 49 2HB GLN 49 -3.368 13.258 -1.763
332 HB3 GLN 49 1HB GLN 49 -3.031 11.536 -1.762
333 HG2 GLN 49 2HG GLN 49 -1.071 11.996 -3.236
334 HG3 GLN 49 1HG GLN 49 -1.349 13.711 -2.953
335 HE21 GLN 49 1HE2 GLN 49 -0.402 10.686 -1.547
336 HE22 GLN 49 2HE2 GLN 49 0.314 11.340 -0.111
337 H SER 50 H SER 50 -2.709 13.635 -5.505
338 HA SER 50 HA SER 50 -4.254 16.017 -4.902
339 HB2 SER 50 2HB SER 50 -1.787 16.028 -5.547
340 HB3 SER 50 1HB SER 50 -2.311 15.646 -7.187
341 HG SER 50 HG SER 50 -2.547 17.722 -7.389
342 H HIS 51 H HIS 51 -5.604 17.072 -6.498
343 HA HIS 51 HA HIS 51 -7.392 15.075 -7.512
344 HB2 HIS 51 2HB HIS 51 -7.576 18.078 -7.708
345 HB3 HIS 51 1HB HIS 51 -8.877 16.946 -8.050
346 HD1 HIS 51 HD1 HIS 51 -8.453 19.246 -5.668
347 HD2 HIS 51 HD2 HIS 51 -8.724 15.108 -5.365
348 HE1 HIS 51 HE1 HIS 51 -9.164 18.781 -3.303
349 HE2 HIS 51 HE2 HIS 51 -9.595 16.302 -3.241
Start of MODEL 7
1 H1 VAL 1 1H VAL 1 -6.815 13.990 9.330
2 H2 VAL 1 2H VAL 1 -5.167 14.108 9.719
3 H3 VAL 1 3H VAL 1 -5.935 12.595 9.727
4 HA VAL 1 HA VAL 1 -5.348 14.294 7.388
5 HB VAL 1 HB VAL 1 -4.487 11.501 8.080
6 HG11 VAL 1 1HG1 VAL 1 -3.053 11.662 6.106
7 HG12 VAL 1 2HG1 VAL 1 -3.754 13.238 5.738
8 HG13 VAL 1 3HG1 VAL 1 -4.763 11.790 5.687
9 HG21 VAL 1 3HG2 VAL 1 -2.902 14.059 8.021
10 HG22 VAL 1 1HG2 VAL 1 -2.226 12.447 8.252
11 HG23 VAL 1 2HG2 VAL 1 -3.324 13.123 9.456
12 H VAL 2 H VAL 2 -6.592 14.067 5.645
13 HA VAL 2 HA VAL 2 -8.698 12.008 5.720
14 HB VAL 2 HB VAL 2 -8.633 14.567 4.104
15 HG11 VAL 2 1HG1 VAL 2 -11.018 14.109 3.729
16 HG12 VAL 2 2HG1 VAL 2 -10.847 12.573 4.580
17 HG13 VAL 2 3HG1 VAL 2 -9.983 12.843 3.066
18 HG21 VAL 2 3HG2 VAL 2 -10.328 15.388 5.685
19 HG22 VAL 2 1HG2 VAL 2 -8.777 15.081 6.463
20 HG23 VAL 2 2HG2 VAL 2 -10.103 13.935 6.661
21 H TYR 3 H TYR 3 -8.153 10.287 4.549
22 HA TYR 3 HA TYR 3 -6.497 10.607 2.174
23 HB2 TYR 3 2HB TYR 3 -7.358 8.277 3.836
24 HB3 TYR 3 1HB TYR 3 -6.863 8.001 2.170
25 HD1 TYR 3 HD2 TYR 3 -4.571 9.332 1.572
26 HD2 TYR 3 HD1 TYR 3 -5.724 7.973 5.432
27 HE1 TYR 3 HE2 TYR 3 -2.208 9.297 2.258
28 HE2 TYR 3 HE1 TYR 3 -3.368 7.931 6.127
29 HH TYR 3 HH TYR 3 -1.136 7.755 5.070
30 H THR 4 H THR 4 -7.257 8.787 0.462
31 HA THR 4 HA THR 4 -10.056 9.357 -0.201
32 HB THR 4 HB THR 4 -9.406 9.451 -2.579
33 HG1 THR 4 HG1 THR 4 -7.554 8.291 -2.709
34 HG21 THR 4 3HG2 THR 4 -8.266 11.618 -2.558
35 HG22 THR 4 1HG2 THR 4 -7.817 11.372 -0.869
36 HG23 THR 4 2HG2 THR 4 -9.514 11.548 -1.315
37 H ASP 5 H ASP 5 -10.290 7.734 -2.422
38 HA ASP 5 HA ASP 5 -9.958 5.100 -1.228
39 HB2 ASP 5 2HB ASP 5 -11.271 5.975 -3.826
40 HB3 ASP 5 1HB ASP 5 -11.221 4.314 -3.254
41 H CYS 6 H CYS 6 -9.264 3.343 -2.904
42 HA CYS 6 HA CYS 6 -6.553 3.930 -3.543
43 HB2 CYS 6 2HB CYS 6 -8.114 1.459 -4.279
44 HB3 CYS 6 1HB CYS 6 -6.369 1.610 -4.150
45 HG CYS 6 HG CYS 6 -7.488 0.113 -1.989
46 H THR 7 H THR 7 -5.607 4.308 -5.439
47 HA THR 7 HA THR 7 -7.342 4.729 -7.763
48 HB THR 7 HB THR 7 -4.519 5.730 -7.301
49 HG1 THR 7 HG1 THR 7 -6.717 7.459 -7.237
50 HG21 THR 7 3HG2 THR 7 -5.026 7.301 -9.108
51 HG22 THR 7 1HG2 THR 7 -6.611 6.556 -9.318
52 HG23 THR 7 2HG2 THR 7 -5.148 5.632 -9.663
53 H GLU 8 H GLU 8 -4.819 2.708 -6.575
54 HA GLU 8 HA GLU 8 -4.602 1.419 -9.189
55 HB2 GLU 8 2HB GLU 8 -2.658 3.044 -8.721
56 HB3 GLU 8 1HB GLU 8 -2.161 1.891 -7.500
57 HG2 GLU 8 2HG GLU 8 -1.959 0.153 -9.185
58 HG3 GLU 8 1HG GLU 8 -2.495 1.284 -10.426
59 H SER 9 H SER 9 -3.873 -0.714 -9.097
60 HA SER 9 HA SER 9 -4.458 -2.080 -6.599
61 HB2 SER 9 2HB SER 9 -3.811 -3.220 -9.340
62 HB3 SER 9 1HB SER 9 -4.421 -4.120 -7.942
63 HG SER 9 HG SER 9 -5.749 -2.333 -9.642
64 H GLY 10 H GLY 10 -2.834 -2.290 -5.242
65 HA2 GLY 10 2HA GLY 10 -0.560 -3.239 -4.919
66 HA3 GLY 10 1HA GLY 10 -0.088 -2.314 -6.340
67 H GLN 11 H GLN 11 -2.271 -0.442 -4.883
68 HA GLN 11 HA GLN 11 -0.295 1.128 -3.435
69 HB2 GLN 11 2HB GLN 11 -2.805 1.662 -4.749
70 HB3 GLN 11 1HB GLN 11 -2.894 2.218 -3.073
71 HG2 GLN 11 2HG GLN 11 -1.925 4.068 -3.860
72 HG3 GLN 11 1HG GLN 11 -0.452 3.113 -3.816
73 HE21 GLN 11 1HE2 GLN 11 -2.810 4.616 -5.781
74 HE22 GLN 11 2HE2 GLN 11 -2.023 4.357 -7.302
75 H ASN 12 H ASN 12 -1.673 2.186 -1.323
76 HA ASN 12 HA ASN 12 -3.061 0.132 0.110
77 HB2 ASN 12 2HB ASN 12 -1.419 0.241 2.059
78 HB3 ASN 12 1HB ASN 12 -1.034 -0.793 0.696
79 HD21 ASN 12 1HD2 ASN 12 1.104 -0.780 1.346
80 HD22 ASN 12 2HD2 ASN 12 2.146 0.566 1.041
81 H LEU 13 H LEU 13 -1.219 3.090 0.767
82 HA LEU 13 HA LEU 13 -2.729 4.022 2.925
83 HB2 LEU 13 2HB LEU 13 -1.011 5.452 0.918
84 HB3 LEU 13 1HB LEU 13 -1.778 6.288 2.256
85 HG LEU 13 HG LEU 13 0.110 3.959 2.630
86 HD11 LEU 13 1HD1 LEU 13 1.291 5.798 1.542
87 HD12 LEU 13 2HD1 LEU 13 1.797 5.631 3.222
88 HD13 LEU 13 3HD1 LEU 13 0.685 6.919 2.759
89 HD21 LEU 13 3HD2 LEU 13 0.205 4.726 4.919
90 HD22 LEU 13 1HD2 LEU 13 -1.477 4.447 4.471
91 HD23 LEU 13 2HD2 LEU 13 -0.845 6.090 4.543
92 H CYS 14 H CYS 14 -4.771 3.295 1.710
93 HA CYS 14 HA CYS 14 -6.257 5.715 1.124
94 HB2 CYS 14 2HB CYS 14 -7.233 4.304 -0.930
95 HB3 CYS 14 1HB CYS 14 -5.890 5.414 -1.108
96 HG CYS 14 HG CYS 14 -5.554 2.045 -0.643
97 H LEU 15 H LEU 15 -8.666 5.201 0.970
98 HA LEU 15 HA LEU 15 -9.357 3.264 3.001
99 HB2 LEU 15 2HB LEU 15 -11.537 4.377 1.368
100 HB3 LEU 15 1HB LEU 15 -11.388 4.249 3.106
101 HG LEU 15 HG LEU 15 -9.977 6.357 1.465
102 HD11 LEU 15 1HD1 LEU 15 -11.684 7.901 2.294
103 HD12 LEU 15 2HD1 LEU 15 -12.554 6.545 3.014
104 HD13 LEU 15 3HD1 LEU 15 -12.374 6.647 1.262
105 HD21 LEU 15 3HD2 LEU 15 -9.614 7.451 3.581
106 HD22 LEU 15 1HD2 LEU 15 -8.967 5.814 3.643
107 HD23 LEU 15 2HD2 LEU 15 -10.506 6.184 4.424
108 H CYS 16 H CYS 16 -8.900 1.257 2.191
109 HA CYS 16 HA CYS 16 -9.827 0.570 -0.459
110 HB2 CYS 16 2HB CYS 16 -7.516 0.042 0.314
111 HB3 CYS 16 1HB CYS 16 -8.213 -1.077 1.474
112 HG CYS 16 HG CYS 16 -9.467 -2.569 -0.701
113 H GLU 17 H GLU 17 -9.878 -1.021 2.704
114 HA GLU 17 HA GLU 17 -11.998 -2.784 1.828
115 HB2 GLU 17 2HB GLU 17 -9.958 -2.987 3.620
116 HB3 GLU 17 1HB GLU 17 -11.370 -2.735 4.633
117 HG2 GLU 17 2HG GLU 17 -12.446 -4.663 3.703
118 HG3 GLU 17 1HG GLU 17 -11.140 -4.877 2.536
119 H GLY 18 H GLY 18 -13.899 -1.936 1.793
120 HA2 GLY 18 2HA GLY 18 -15.757 -0.652 2.269
121 HA3 GLY 18 1HA GLY 18 -15.444 -1.137 3.930
122 H SER 19 H SER 19 -14.534 0.293 5.346
123 HA SER 19 HA SER 19 -13.819 2.953 4.287
124 HB2 SER 19 2HB SER 19 -14.489 3.697 6.670
125 HB3 SER 19 1HB SER 19 -15.774 3.353 5.513
126 HG SER 19 HG SER 19 -15.361 2.247 7.892
127 H ASN 20 H ASN 20 -12.357 0.316 5.214
128 HA ASN 20 HA ASN 20 -10.681 1.187 7.364
129 HB2 ASN 20 2HB ASN 20 -10.445 -1.093 5.395
130 HB3 ASN 20 1HB ASN 20 -9.220 -0.765 6.611
131 HD21 ASN 20 1HD2 ASN 20 -12.676 -0.365 7.089
132 HD22 ASN 20 2HD2 ASN 20 -12.851 -1.646 8.239
133 H VAL 21 H VAL 21 -9.002 2.445 7.295
134 HA VAL 21 HA VAL 21 -7.905 3.352 4.743
135 HB VAL 21 HB VAL 21 -7.008 4.179 7.510
136 HG11 VAL 21 1HG1 VAL 21 -6.364 6.254 6.379
137 HG12 VAL 21 2HG1 VAL 21 -6.904 5.574 4.845
138 HG13 VAL 21 3HG1 VAL 21 -5.550 4.843 5.704
139 HG21 VAL 21 3HG2 VAL 21 -9.285 5.348 5.923
140 HG22 VAL 21 1HG2 VAL 21 -8.586 6.065 7.372
141 HG23 VAL 21 2HG2 VAL 21 -9.402 4.505 7.463
142 H CYS 22 H CYS 22 -6.517 1.856 3.935
143 HA CYS 22 HA CYS 22 -4.814 0.377 5.736
144 HB2 CYS 22 2HB CYS 22 -5.624 0.122 2.899
145 HB3 CYS 22 1HB CYS 22 -4.003 -0.418 3.295
146 HG CYS 22 HG CYS 22 -4.857 -2.178 5.331
147 H GLY 23 H GLY 23 -2.497 0.142 5.269
148 HA2 GLY 23 2HA GLY 23 -1.234 2.441 4.004
149 HA3 GLY 23 1HA GLY 23 -0.948 2.224 5.726
150 H GLN 24 H GLN 24 1.167 1.605 5.785
151 HA GLN 24 HA GLN 24 2.179 -0.114 3.691
152 HB2 GLN 24 2HB GLN 24 3.451 1.870 4.614
153 HB3 GLN 24 1HB GLN 24 3.679 0.939 6.092
154 HG2 GLN 24 2HG GLN 24 5.640 0.710 4.764
155 HG3 GLN 24 1HG GLN 24 4.780 -0.827 4.729
156 HE21 GLN 24 1HE2 GLN 24 3.909 2.050 2.897
157 HE22 GLN 24 2HE2 GLN 24 4.270 1.384 1.339
158 H GLY 25 H GLY 25 2.818 -2.185 3.924
159 HA2 GLY 25 2HA GLY 25 3.149 -4.173 5.258
160 HA3 GLY 25 1HA GLY 25 2.036 -3.493 6.444
161 H ASN 26 H ASN 26 0.452 -2.502 4.023
162 HA ASN 26 HA ASN 26 -0.760 -5.081 3.288
163 HB2 ASN 26 2HB ASN 26 -2.083 -2.428 3.831
164 HB3 ASN 26 1HB ASN 26 -2.889 -3.716 2.943
165 HD21 ASN 26 1HD2 ASN 26 -1.809 -2.607 6.030
166 HD22 ASN 26 2HD2 ASN 26 -2.523 -3.877 6.969
167 H LYS 27 H LYS 27 -1.739 -5.197 1.215
168 HA LYS 27 HA LYS 27 -0.812 -3.234 -0.762
169 HB2 LYS 27 2HB LYS 27 0.590 -5.252 -0.858
170 HB3 LYS 27 1HB LYS 27 -0.848 -6.254 -0.990
171 HG2 LYS 27 2HG LYS 27 -0.408 -6.159 -3.171
172 HG3 LYS 27 1HG LYS 27 -1.214 -4.597 -3.084
173 HD2 LYS 27 2HD LYS 27 0.802 -4.203 -4.240
174 HD3 LYS 27 1HD LYS 27 1.067 -3.603 -2.607
175 HE2 LYS 27 2HE LYS 27 3.018 -4.797 -3.207
176 HE3 LYS 27 1HE LYS 27 2.125 -5.834 -2.096
177 HZ1 LYS 27 3HZ LYS 27 1.326 -7.128 -3.929
178 HZ2 LYS 27 1HZ LYS 27 3.015 -7.014 -4.045
179 HZ3 LYS 27 2HZ LYS 27 2.028 -6.070 -5.056
180 H CYS 28 H CYS 28 -2.682 -2.278 -1.401
181 HA CYS 28 HA CYS 28 -5.168 -3.775 -1.355
182 HB2 CYS 28 2HB CYS 28 -4.592 -0.871 -1.991
183 HB3 CYS 28 1HB CYS 28 -6.194 -1.580 -1.828
184 HG CYS 28 HG CYS 28 -5.959 -2.146 0.868
185 H ILE 29 H ILE 29 -6.111 -4.615 -3.116
186 HA ILE 29 HA ILE 29 -5.169 -3.738 -5.753
187 HB ILE 29 HB ILE 29 -5.476 -6.176 -6.469
188 HG12 ILE 29 2HG1 ILE 29 -5.102 -6.595 -3.499
189 HG13 ILE 29 1HG1 ILE 29 -6.597 -6.898 -4.378
190 HG21 ILE 29 1HG2 ILE 29 -3.315 -5.070 -6.379
191 HG22 ILE 29 2HG2 ILE 29 -3.178 -6.741 -5.831
192 HG23 ILE 29 3HG2 ILE 29 -3.188 -5.425 -4.656
193 HD11 ILE 29 3HD1 ILE 29 -5.488 -8.628 -5.682
194 HD12 ILE 29 1HD1 ILE 29 -5.370 -8.955 -3.953
195 HD13 ILE 29 2HD1 ILE 29 -3.978 -8.311 -4.827
196 H LEU 30 H LEU 30 -6.715 -3.207 -7.084
197 HA LEU 30 HA LEU 30 -9.488 -3.737 -6.452
198 HB2 LEU 30 2HB LEU 30 -8.223 -2.179 -8.719
199 HB3 LEU 30 1HB LEU 30 -9.947 -2.321 -8.453
200 HG LEU 30 HG LEU 30 -9.508 -1.226 -6.175
201 HD11 LEU 30 1HD1 LEU 30 -6.939 -0.483 -7.558
202 HD12 LEU 30 2HD1 LEU 30 -7.093 -1.490 -6.118
203 HD13 LEU 30 3HD1 LEU 30 -7.544 0.216 -6.055
204 HD21 LEU 30 3HD2 LEU 30 -10.645 -0.100 -7.996
205 HD22 LEU 30 1HD2 LEU 30 -9.095 0.329 -8.720
206 HD23 LEU 30 2HD2 LEU 30 -9.562 1.019 -7.166
207 H GLY 31 H GLY 31 -9.411 -6.028 -6.772
208 HA2 GLY 31 2HA GLY 31 -8.781 -6.984 -9.451
209 HA3 GLY 31 1HA GLY 31 -9.129 -7.979 -8.045
210 H ARG 32 H ARG 32 -11.040 -8.908 -7.955
211 HA ARG 32 HA ARG 32 -13.428 -7.744 -8.983
212 HB2 ARG 32 2HB ARG 32 -13.855 -9.492 -10.710
213 HB3 ARG 32 1HB ARG 32 -12.541 -8.401 -11.128
214 HG2 ARG 32 2HG ARG 32 -10.915 -10.075 -10.440
215 HG3 ARG 32 1HG ARG 32 -12.224 -11.169 -9.990
216 HD2 ARG 32 2HD ARG 32 -12.971 -11.292 -12.270
217 HD3 ARG 32 1HD ARG 32 -11.810 -10.058 -12.760
218 HE ARG 32 HE ARG 32 -10.224 -11.970 -11.719
219 HH11 ARG 32 1HH1 ARG 32 -12.827 -12.092 -14.060
220 HH12 ARG 32 2HH1 ARG 32 -12.135 -13.418 -14.946
221 HH21 ARG 32 1HH2 ARG 32 -9.316 -13.711 -12.868
222 HH22 ARG 32 2HH2 ARG 32 -10.127 -14.336 -14.275
223 H GLY 33 H GLY 33 -15.193 -9.596 -9.058
224 HA2 GLY 33 2HA GLY 33 -16.341 -11.211 -7.885
225 HA3 GLY 33 1HA GLY 33 -14.788 -11.842 -7.353
226 H ASP 34 H ASP 34 -14.480 -11.789 -5.242
227 HA ASP 34 HA ASP 34 -15.967 -9.842 -3.628
228 HB2 ASP 34 2HB ASP 34 -16.009 -12.259 -2.985
229 HB3 ASP 34 1HB ASP 34 -14.271 -12.181 -2.720
230 H SER 35 H SER 35 -12.874 -10.578 -4.871
231 HA SER 35 HA SER 35 -11.454 -8.830 -3.019
232 HB2 SER 35 2HB SER 35 -10.467 -11.004 -3.784
233 HB3 SER 35 1HB SER 35 -10.416 -10.363 -5.420
234 HG SER 35 HG SER 35 -9.032 -8.698 -4.620
235 H LYS 36 H LYS 36 -13.443 -7.587 -4.584
236 HA LYS 36 HA LYS 36 -12.459 -6.556 -7.011
237 HB2 LYS 36 2HB LYS 36 -14.341 -4.864 -6.753
238 HB3 LYS 36 1HB LYS 36 -14.793 -6.556 -6.803
239 HG2 LYS 36 2HG LYS 36 -16.142 -5.628 -5.147
240 HG3 LYS 36 1HG LYS 36 -14.864 -6.441 -4.252
241 HD2 LYS 36 2HD LYS 36 -13.744 -4.357 -3.850
242 HD3 LYS 36 1HD LYS 36 -14.864 -3.499 -4.906
243 HE2 LYS 36 2HE LYS 36 -15.722 -4.958 -2.413
244 HE3 LYS 36 1HE LYS 36 -15.283 -3.251 -2.431
245 HZ1 LYS 36 3HZ LYS 36 -17.446 -4.459 -4.070
246 HZ2 LYS 36 1HZ LYS 36 -17.067 -2.810 -3.958
247 HZ3 LYS 36 2HZ LYS 36 -17.691 -3.632 -2.612
248 H ASN 37 H ASN 37 -12.182 -5.427 -3.733
249 HA ASN 37 HA ASN 37 -10.053 -3.656 -4.512
250 HB2 ASN 37 2HB ASN 37 -12.158 -2.279 -4.751
251 HB3 ASN 37 1HB ASN 37 -12.438 -2.515 -3.031
252 HD21 ASN 37 1HD2 ASN 37 -11.344 -1.302 -1.588
253 HD22 ASN 37 2HD2 ASN 37 -10.238 -0.047 -2.027
254 H GLN 38 H GLN 38 -8.944 -5.298 -3.259
255 HA GLN 38 HA GLN 38 -9.807 -5.478 -0.441
256 HB2 GLN 38 2HB GLN 38 -10.316 -7.495 -1.735
257 HB3 GLN 38 1HB GLN 38 -8.630 -7.634 -2.202
258 HG2 GLN 38 2HG GLN 38 -9.258 -9.194 -0.419
259 HG3 GLN 38 1HG GLN 38 -7.983 -8.079 0.072
260 HE21 GLN 38 1HE2 GLN 38 -8.414 -8.301 2.247
261 HE22 GLN 38 2HE2 GLN 38 -9.821 -7.622 2.992
262 H CYS 39 H CYS 39 -8.299 -5.637 1.163
263 HA CYS 39 HA CYS 39 -5.618 -4.715 0.546
264 HB2 CYS 39 2HB CYS 39 -7.018 -5.088 3.189
265 HB3 CYS 39 1HB CYS 39 -5.446 -4.346 2.960
266 HG CYS 39 HG CYS 39 -7.147 -2.278 3.496
267 H VAL 40 H VAL 40 -4.467 -6.514 -0.136
268 HA VAL 40 HA VAL 40 -4.468 -8.874 1.581
269 HB VAL 40 HB VAL 40 -4.380 -8.883 -0.984
270 HG11 VAL 40 1HG1 VAL 40 -2.612 -7.252 -1.291
271 HG12 VAL 40 2HG1 VAL 40 -2.153 -8.803 -1.991
272 HG13 VAL 40 3HG1 VAL 40 -1.476 -8.299 -0.443
273 HG21 VAL 40 3HG2 VAL 40 -2.959 -10.899 -1.023
274 HG22 VAL 40 1HG2 VAL 40 -4.095 -10.894 0.327
275 HG23 VAL 40 2HG2 VAL 40 -2.396 -10.507 0.601
276 H THR 41 H THR 41 -2.325 -9.679 2.433
277 HA THR 41 HA THR 41 -0.986 -7.384 3.598
278 HB THR 41 HB THR 41 0.160 -9.151 5.016
279 HG1 THR 41 HG1 THR 41 -0.175 -10.998 3.797
280 HG21 THR 41 3HG2 THR 41 -2.853 -8.958 5.082
281 HG22 THR 41 1HG2 THR 41 -1.721 -7.816 5.809
282 HG23 THR 41 2HG2 THR 41 -1.822 -9.467 6.420
283 H GLY 42 H GLY 42 0.901 -6.659 3.032
284 HA2 GLY 42 2HA GLY 42 3.135 -8.130 2.226
285 HA3 GLY 42 1HA GLY 42 2.300 -7.598 0.770
286 H GLU 43 H GLU 43 3.277 -5.834 -0.035
287 HA GLU 43 HA GLU 43 3.332 -3.508 1.663
288 HB2 GLU 43 2HB GLU 43 5.672 -2.886 0.972
289 HB3 GLU 43 1HB GLU 43 5.544 -4.189 2.140
290 HG2 GLU 43 2HG GLU 43 5.920 -5.820 0.363
291 HG3 GLU 43 1HG GLU 43 6.052 -4.505 -0.809
292 H GLY 44 H GLY 44 2.117 -2.196 0.530
293 HA2 GLY 44 2HA GLY 44 2.169 -2.303 -2.373
294 HA3 GLY 44 1HA GLY 44 1.021 -1.418 -1.380
295 H THR 45 H THR 45 1.222 0.495 -2.446
296 HA THR 45 HA THR 45 3.771 1.901 -2.099
297 HB THR 45 HB THR 45 2.448 2.825 -4.474
298 HG1 THR 45 HG1 THR 45 2.076 0.263 -4.182
299 HG21 THR 45 3HG2 THR 45 4.627 2.341 -5.509
300 HG22 THR 45 1HG2 THR 45 5.105 1.438 -4.070
301 HG23 THR 45 2HG2 THR 45 4.816 3.174 -3.966
302 HA PRO 46 HA PRO 46 1.166 5.079 -0.379
303 HB2 PRO 46 2HB PRO 46 3.152 6.953 -1.553
304 HB3 PRO 46 1HB PRO 46 2.603 6.805 0.120
305 HG2 PRO 46 2HG PRO 46 5.024 5.945 -0.619
306 HG3 PRO 46 1HG PRO 46 4.064 5.069 0.587
307 HD2 PRO 46 2HD PRO 46 4.541 4.420 -2.290
308 HD3 PRO 46 1HD PRO 46 4.409 3.332 -0.893
309 H LYS 47 H LYS 47 -0.528 6.188 -1.182
310 HA LYS 47 HA LYS 47 -0.840 6.039 -4.056
311 HB2 LYS 47 2HB LYS 47 -2.543 5.272 -2.261
312 HB3 LYS 47 1HB LYS 47 -2.949 6.977 -2.118
313 HG2 LYS 47 2HG LYS 47 -3.103 6.714 -4.770
314 HG3 LYS 47 1HG LYS 47 -3.496 5.067 -4.287
315 HD2 LYS 47 2HD LYS 47 -5.586 5.989 -4.258
316 HD3 LYS 47 1HD LYS 47 -5.087 6.309 -2.598
317 HE2 LYS 47 2HE LYS 47 -4.806 8.265 -4.873
318 HE3 LYS 47 1HE LYS 47 -6.147 8.255 -3.731
319 HZ1 LYS 47 3HZ LYS 47 -3.282 8.740 -3.098
320 HZ2 LYS 47 1HZ LYS 47 -4.514 8.619 -1.938
321 HZ3 LYS 47 2HZ LYS 47 -4.534 9.874 -3.070
322 HA PRO 48 HA PRO 48 0.321 10.389 -4.538
323 HB2 PRO 48 2HB PRO 48 -0.934 9.796 -7.174
324 HB3 PRO 48 1HB PRO 48 0.616 10.563 -6.808
325 HG2 PRO 48 2HG PRO 48 0.522 8.051 -7.681
326 HG3 PRO 48 1HG PRO 48 1.682 8.542 -6.432
327 HD2 PRO 48 2HD PRO 48 -0.857 6.998 -6.162
328 HD3 PRO 48 1HD PRO 48 0.671 6.823 -5.276
329 H GLN 49 H GLN 49 -0.860 12.350 -4.844
330 HA GLN 49 HA GLN 49 -3.721 11.929 -4.340
331 HB2 GLN 49 2HB GLN 49 -3.317 13.989 -2.730
332 HB3 GLN 49 1HB GLN 49 -3.083 12.332 -2.202
333 HG2 GLN 49 2HG GLN 49 -0.685 12.540 -2.649
334 HG3 GLN 49 1HG GLN 49 -0.929 14.216 -3.121
335 HE21 GLN 49 1HE2 GLN 49 0.419 14.975 -1.501
336 HE22 GLN 49 2HE2 GLN 49 -0.039 14.966 0.167
337 H SER 50 H SER 50 -1.224 14.251 -5.402
338 HA SER 50 HA SER 50 -3.465 15.912 -6.352
339 HB2 SER 50 2HB SER 50 -0.591 16.711 -5.880
340 HB3 SER 50 1HB SER 50 -1.869 17.784 -6.455
341 HG SER 50 HG SER 50 -1.263 17.022 -3.941
342 H HIS 51 H HIS 51 -0.169 15.979 -7.701
343 HA HIS 51 HA HIS 51 -1.457 15.960 -10.330
344 HB2 HIS 51 2HB HIS 51 1.390 16.630 -9.592
345 HB3 HIS 51 1HB HIS 51 0.641 16.886 -11.163
346 HD1 HIS 51 HD1 HIS 51 1.101 18.471 -7.867
347 HD2 HIS 51 HD2 HIS 51 -1.346 18.963 -11.191
348 HE1 HIS 51 HE1 HIS 51 0.071 20.752 -7.617
349 HE2 HIS 51 HE2 HIS 51 -1.474 20.995 -9.600
Start of MODEL 8
1 H1 VAL 1 1H VAL 1 -5.913 13.464 8.278
2 H2 VAL 1 2H VAL 1 -5.822 15.042 7.673
3 H3 VAL 1 3H VAL 1 -4.498 14.381 8.498
4 HA VAL 1 HA VAL 1 -4.025 14.368 6.184
5 HB VAL 1 HB VAL 1 -3.691 11.968 5.762
6 HG11 VAL 1 1HG1 VAL 1 -2.381 11.443 7.781
7 HG12 VAL 1 2HG1 VAL 1 -3.148 12.800 8.609
8 HG13 VAL 1 3HG1 VAL 1 -2.114 13.087 7.208
9 HG21 VAL 1 3HG2 VAL 1 -4.486 10.296 7.368
10 HG22 VAL 1 1HG2 VAL 1 -5.824 11.117 6.565
11 HG23 VAL 1 2HG2 VAL 1 -5.392 11.548 8.219
12 H VAL 2 H VAL 2 -4.566 13.676 4.028
13 HA VAL 2 HA VAL 2 -7.486 13.465 3.686
14 HB VAL 2 HB VAL 2 -5.519 14.615 1.698
15 HG11 VAL 2 1HG1 VAL 2 -7.553 13.702 0.688
16 HG12 VAL 2 2HG1 VAL 2 -7.516 15.461 0.567
17 HG13 VAL 2 3HG1 VAL 2 -8.539 14.680 1.774
18 HG21 VAL 2 3HG2 VAL 2 -5.629 16.016 3.695
19 HG22 VAL 2 1HG2 VAL 2 -7.387 16.055 3.581
20 HG23 VAL 2 2HG2 VAL 2 -6.405 16.808 2.324
21 H TYR 3 H TYR 3 -7.201 11.124 3.910
22 HA TYR 3 HA TYR 3 -6.095 9.864 1.517
23 HB2 TYR 3 2HB TYR 3 -7.312 8.639 3.996
24 HB3 TYR 3 1HB TYR 3 -6.705 7.721 2.629
25 HD1 TYR 3 HD2 TYR 3 -4.264 9.599 2.171
26 HD2 TYR 3 HD1 TYR 3 -5.829 7.632 5.603
27 HE1 TYR 3 HE2 TYR 3 -2.018 9.581 3.176
28 HE2 TYR 3 HE1 TYR 3 -3.588 7.606 6.615
29 HH TYR 3 HH TYR 3 -1.001 9.459 5.421
30 H THR 4 H THR 4 -7.394 8.431 0.280
31 HA THR 4 HA THR 4 -10.270 8.922 0.370
32 HB THR 4 HB THR 4 -10.111 8.997 -2.220
33 HG1 THR 4 HG1 THR 4 -8.018 10.158 -2.736
34 HG21 THR 4 3HG2 THR 4 -9.172 11.329 -0.549
35 HG22 THR 4 1HG2 THR 4 -10.844 10.898 -0.895
36 HG23 THR 4 2HG2 THR 4 -9.787 11.439 -2.197
37 H ASP 5 H ASP 5 -10.770 7.429 -2.057
38 HA ASP 5 HA ASP 5 -10.318 4.773 -0.946
39 HB2 ASP 5 2HB ASP 5 -11.922 5.674 -3.362
40 HB3 ASP 5 1HB ASP 5 -11.826 4.011 -2.792
41 H CYS 6 H CYS 6 -9.486 3.039 -2.294
42 HA CYS 6 HA CYS 6 -7.003 3.732 -3.415
43 HB2 CYS 6 2HB CYS 6 -8.447 1.118 -3.821
44 HB3 CYS 6 1HB CYS 6 -6.712 1.406 -3.850
45 HG CYS 6 HG CYS 6 -7.012 2.341 -1.013
46 H THR 7 H THR 7 -6.293 3.973 -5.443
47 HA THR 7 HA THR 7 -8.333 4.087 -7.560
48 HB THR 7 HB THR 7 -5.617 5.386 -7.637
49 HG1 THR 7 HG1 THR 7 -6.720 7.278 -6.837
50 HG21 THR 7 3HG2 THR 7 -6.840 5.267 -9.756
51 HG22 THR 7 1HG2 THR 7 -6.725 6.934 -9.191
52 HG23 THR 7 2HG2 THR 7 -8.233 6.042 -9.003
53 H GLU 8 H GLU 8 -5.263 2.706 -6.661
54 HA GLU 8 HA GLU 8 -5.205 1.203 -9.168
55 HB2 GLU 8 2HB GLU 8 -3.242 3.128 -8.229
56 HB3 GLU 8 1HB GLU 8 -2.529 1.540 -8.475
57 HG2 GLU 8 2HG GLU 8 -3.966 3.253 -10.477
58 HG3 GLU 8 1HG GLU 8 -2.281 2.734 -10.495
59 H SER 9 H SER 9 -3.986 -0.749 -9.059
60 HA SER 9 HA SER 9 -4.317 -2.033 -6.472
61 HB2 SER 9 2HB SER 9 -3.544 -3.206 -9.159
62 HB3 SER 9 1HB SER 9 -3.976 -4.119 -7.710
63 HG SER 9 HG SER 9 -5.609 -2.548 -9.388
64 H GLY 10 H GLY 10 -2.675 -2.399 -5.122
65 HA2 GLY 10 2HA GLY 10 -0.322 -2.972 -4.768
66 HA3 GLY 10 1HA GLY 10 0.067 -1.983 -6.171
67 H GLN 11 H GLN 11 -2.252 -0.285 -4.847
68 HA GLN 11 HA GLN 11 -0.468 1.425 -3.302
69 HB2 GLN 11 2HB GLN 11 -2.955 1.766 -4.776
70 HB3 GLN 11 1HB GLN 11 -3.070 2.466 -3.164
71 HG2 GLN 11 2HG GLN 11 -1.964 4.238 -3.861
72 HG3 GLN 11 1HG GLN 11 -0.571 3.226 -4.228
73 HE21 GLN 11 1HE2 GLN 11 -3.366 4.834 -5.502
74 HE22 GLN 11 2HE2 GLN 11 -2.934 4.693 -7.174
75 H ASN 12 H ASN 12 -1.318 2.252 -1.134
76 HA ASN 12 HA ASN 12 -2.992 0.243 0.169
77 HB2 ASN 12 2HB ASN 12 -1.429 0.463 2.200
78 HB3 ASN 12 1HB ASN 12 -1.003 -0.616 0.886
79 HD21 ASN 12 1HD2 ASN 12 1.123 -0.579 1.513
80 HD22 ASN 12 2HD2 ASN 12 2.157 0.768 1.178
81 H LEU 13 H LEU 13 -1.316 3.286 0.886
82 HA LEU 13 HA LEU 13 -2.871 4.074 3.067
83 HB2 LEU 13 2HB LEU 13 -1.327 5.760 1.098
84 HB3 LEU 13 1HB LEU 13 -1.997 6.367 2.600
85 HG LEU 13 HG LEU 13 0.060 4.161 2.448
86 HD11 LEU 13 1HD1 LEU 13 0.940 6.299 1.598
87 HD12 LEU 13 2HD1 LEU 13 1.686 5.822 3.122
88 HD13 LEU 13 3HD1 LEU 13 0.450 7.080 3.100
89 HD21 LEU 13 3HD2 LEU 13 0.299 4.485 4.808
90 HD22 LEU 13 1HD2 LEU 13 -1.412 4.237 4.463
91 HD23 LEU 13 2HD2 LEU 13 -0.806 5.859 4.783
92 H CYS 14 H CYS 14 -4.876 3.307 1.846
93 HA CYS 14 HA CYS 14 -6.502 5.634 1.298
94 HB2 CYS 14 2HB CYS 14 -7.395 4.266 -0.794
95 HB3 CYS 14 1HB CYS 14 -6.042 5.370 -0.947
96 HG CYS 14 HG CYS 14 -4.863 2.441 -0.102
97 H LEU 15 H LEU 15 -8.872 4.937 1.138
98 HA LEU 15 HA LEU 15 -9.387 2.823 3.055
99 HB2 LEU 15 2HB LEU 15 -11.690 3.930 1.593
100 HB3 LEU 15 1HB LEU 15 -11.460 3.699 3.310
101 HG LEU 15 HG LEU 15 -10.243 5.988 1.756
102 HD11 LEU 15 1HD1 LEU 15 -12.681 6.131 1.731
103 HD12 LEU 15 2HD1 LEU 15 -11.981 7.370 2.771
104 HD13 LEU 15 3HD1 LEU 15 -12.718 5.934 3.483
105 HD21 LEU 15 3HD2 LEU 15 -10.569 5.540 4.723
106 HD22 LEU 15 1HD2 LEU 15 -9.852 6.954 3.952
107 HD23 LEU 15 2HD2 LEU 15 -9.060 5.385 3.823
108 H CYS 16 H CYS 16 -9.223 0.825 2.343
109 HA CYS 16 HA CYS 16 -9.701 0.249 -0.457
110 HB2 CYS 16 2HB CYS 16 -7.590 -0.485 0.404
111 HB3 CYS 16 1HB CYS 16 -8.366 -1.297 1.751
112 HG CYS 16 HG CYS 16 -9.776 -2.956 -0.335
113 H GLU 17 H GLU 17 -10.240 -1.594 2.512
114 HA GLU 17 HA GLU 17 -12.450 -2.981 1.234
115 HB2 GLU 17 2HB GLU 17 -10.618 -3.971 2.728
116 HB3 GLU 17 1HB GLU 17 -11.580 -3.348 4.049
117 HG2 GLU 17 2HG GLU 17 -13.433 -4.724 3.438
118 HG3 GLU 17 1HG GLU 17 -12.611 -5.254 1.968
119 H GLY 18 H GLY 18 -13.723 -1.190 1.109
120 HA2 GLY 18 2HA GLY 18 -15.565 0.042 1.699
121 HA3 GLY 18 1HA GLY 18 -15.620 -0.881 3.193
122 H SER 19 H SER 19 -14.609 -0.098 5.028
123 HA SER 19 HA SER 19 -13.712 2.696 4.837
124 HB2 SER 19 2HB SER 19 -14.211 2.651 7.355
125 HB3 SER 19 1HB SER 19 -15.597 2.602 6.264
126 HG SER 19 HG SER 19 -14.584 0.655 7.978
127 H ASN 20 H ASN 20 -12.520 -0.376 5.113
128 HA ASN 20 HA ASN 20 -10.537 -0.088 7.095
129 HB2 ASN 20 2HB ASN 20 -10.785 -1.869 4.695
130 HB3 ASN 20 1HB ASN 20 -9.335 -1.886 5.690
131 HD21 ASN 20 1HD2 ASN 20 -12.794 -2.429 5.681
132 HD22 ASN 20 2HD2 ASN 20 -12.813 -3.434 7.084
133 H VAL 21 H VAL 21 -9.001 1.313 7.146
134 HA VAL 21 HA VAL 21 -7.982 2.529 4.691
135 HB VAL 21 HB VAL 21 -7.057 3.092 7.517
136 HG11 VAL 21 1HG1 VAL 21 -6.451 5.287 6.566
137 HG12 VAL 21 2HG1 VAL 21 -6.949 4.712 4.974
138 HG13 VAL 21 3HG1 VAL 21 -5.594 3.948 5.805
139 HG21 VAL 21 3HG2 VAL 21 -8.655 4.977 7.532
140 HG22 VAL 21 1HG2 VAL 21 -9.445 3.400 7.514
141 HG23 VAL 21 2HG2 VAL 21 -9.357 4.359 6.038
142 H CYS 22 H CYS 22 -6.565 1.220 3.680
143 HA CYS 22 HA CYS 22 -4.810 -0.522 5.126
144 HB2 CYS 22 2HB CYS 22 -5.710 -0.312 2.446
145 HB3 CYS 22 1HB CYS 22 -3.957 -0.165 2.412
146 HG CYS 22 HG CYS 22 -5.790 -2.782 3.596
147 H GLY 23 H GLY 23 -2.526 -0.421 5.153
148 HA2 GLY 23 2HA GLY 23 -1.341 2.187 4.538
149 HA3 GLY 23 1HA GLY 23 -1.203 1.561 6.178
150 H GLN 24 H GLN 24 1.107 1.469 5.992
151 HA GLN 24 HA GLN 24 2.170 -0.224 3.884
152 HB2 GLN 24 2HB GLN 24 3.271 1.920 4.842
153 HB3 GLN 24 1HB GLN 24 3.779 0.882 6.169
154 HG2 GLN 24 2HG GLN 24 4.937 -0.570 4.601
155 HG3 GLN 24 1HG GLN 24 4.407 0.447 3.263
156 HE21 GLN 24 1HE2 GLN 24 7.082 -0.233 4.098
157 HE22 GLN 24 2HE2 GLN 24 7.878 1.272 4.427
158 H GLY 25 H GLY 25 3.355 -2.186 4.325
159 HA2 GLY 25 2HA GLY 25 3.525 -4.218 5.466
160 HA3 GLY 25 1HA GLY 25 2.595 -3.537 6.801
161 H ASN 26 H ASN 26 0.983 -2.556 4.245
162 HA ASN 26 HA ASN 26 -0.472 -5.039 3.684
163 HB2 ASN 26 2HB ASN 26 -1.736 -2.351 4.304
164 HB3 ASN 26 1HB ASN 26 -2.604 -3.780 3.757
165 HD21 ASN 26 1HD2 ASN 26 -0.921 -2.284 6.399
166 HD22 ASN 26 2HD2 ASN 26 -1.464 -3.367 7.629
167 H LYS 27 H LYS 27 -1.566 -4.985 1.626
168 HA LYS 27 HA LYS 27 -0.940 -2.714 -0.097
169 HB2 LYS 27 2HB LYS 27 0.892 -4.289 -0.471
170 HB3 LYS 27 1HB LYS 27 -0.261 -5.576 -0.801
171 HG2 LYS 27 2HG LYS 27 -0.891 -4.660 -2.843
172 HG3 LYS 27 1HG LYS 27 -0.255 -3.067 -2.431
173 HD2 LYS 27 2HD LYS 27 1.195 -4.128 -4.045
174 HD3 LYS 27 1HD LYS 27 2.028 -3.990 -2.495
175 HE2 LYS 27 2HE LYS 27 2.457 -6.160 -3.468
176 HE3 LYS 27 1HE LYS 27 1.465 -6.346 -2.022
177 HZ1 LYS 27 3HZ LYS 27 0.696 -7.740 -3.864
178 HZ2 LYS 27 1HZ LYS 27 0.439 -6.359 -4.815
179 HZ3 LYS 27 2HZ LYS 27 -0.475 -6.611 -3.413
180 H CYS 28 H CYS 28 -2.725 -2.133 -1.148
181 HA CYS 28 HA CYS 28 -5.004 -3.931 -1.140
182 HB2 CYS 28 2HB CYS 28 -5.493 -1.705 -0.429
183 HB3 CYS 28 1HB CYS 28 -4.676 -1.013 -1.821
184 HG CYS 28 HG CYS 28 -7.475 -0.677 -1.986
185 H ILE 29 H ILE 29 -5.933 -4.789 -2.915
186 HA ILE 29 HA ILE 29 -4.906 -4.000 -5.546
187 HB ILE 29 HB ILE 29 -5.233 -6.476 -6.196
188 HG12 ILE 29 2HG1 ILE 29 -4.757 -6.775 -3.228
189 HG13 ILE 29 1HG1 ILE 29 -6.279 -7.124 -4.040
190 HG21 ILE 29 1HG2 ILE 29 -3.083 -5.341 -6.208
191 HG22 ILE 29 2HG2 ILE 29 -2.912 -6.992 -5.610
192 HG23 ILE 29 3HG2 ILE 29 -2.902 -5.638 -4.478
193 HD11 ILE 29 3HD1 ILE 29 -5.198 -8.891 -5.318
194 HD12 ILE 29 1HD1 ILE 29 -5.020 -9.154 -3.584
195 HD13 ILE 29 2HD1 ILE 29 -3.664 -8.532 -4.526
196 H LEU 30 H LEU 30 -6.474 -3.466 -6.874
197 HA LEU 30 HA LEU 30 -9.195 -3.741 -5.997
198 HB2 LEU 30 2HB LEU 30 -7.905 -2.341 -8.329
199 HB3 LEU 30 1HB LEU 30 -9.646 -2.450 -8.162
200 HG LEU 30 HG LEU 30 -9.388 -1.320 -5.912
201 HD11 LEU 30 1HD1 LEU 30 -6.626 -0.757 -6.958
202 HD12 LEU 30 2HD1 LEU 30 -7.032 -1.743 -5.552
203 HD13 LEU 30 3HD1 LEU 30 -7.372 -0.012 -5.542
204 HD21 LEU 30 3HD2 LEU 30 -9.226 0.901 -6.883
205 HD22 LEU 30 1HD2 LEU 30 -10.186 -0.164 -7.909
206 HD23 LEU 30 2HD2 LEU 30 -8.523 0.222 -8.351
207 H GLY 31 H GLY 31 -9.862 -5.803 -6.206
208 HA2 GLY 31 2HA GLY 31 -11.259 -7.153 -7.531
209 HA3 GLY 31 1HA GLY 31 -10.331 -6.669 -8.918
210 H ARG 32 H ARG 32 -10.940 -9.068 -6.791
211 HA ARG 32 HA ARG 32 -9.203 -10.852 -8.098
212 HB2 ARG 32 2HB ARG 32 -7.853 -11.552 -6.125
213 HB3 ARG 32 1HB ARG 32 -7.451 -9.952 -6.712
214 HG2 ARG 32 2HG ARG 32 -7.507 -9.435 -4.525
215 HG3 ARG 32 1HG ARG 32 -9.244 -9.310 -4.804
216 HD2 ARG 32 2HD ARG 32 -8.804 -10.628 -2.814
217 HD3 ARG 32 1HD ARG 32 -9.517 -11.638 -4.071
218 HE ARG 32 HE ARG 32 -6.619 -11.658 -3.958
219 HH11 ARG 32 1HH1 ARG 32 -9.601 -13.182 -2.904
220 HH12 ARG 32 2HH1 ARG 32 -8.835 -14.705 -2.555
221 HH21 ARG 32 1HH2 ARG 32 -5.625 -13.634 -3.478
222 HH22 ARG 32 2HH2 ARG 32 -6.567 -14.949 -2.848
223 H GLY 33 H GLY 33 -10.502 -12.531 -8.300
224 HA2 GLY 33 2HA GLY 33 -12.114 -14.099 -7.853
225 HA3 GLY 33 1HA GLY 33 -11.658 -13.942 -6.163
226 H ASP 34 H ASP 34 -13.200 -13.291 -4.852
227 HA ASP 34 HA ASP 34 -15.555 -11.953 -5.974
228 HB2 ASP 34 2HB ASP 34 -15.155 -13.218 -3.251
229 HB3 ASP 34 1HB ASP 34 -16.670 -12.577 -3.878
230 H SER 35 H SER 35 -13.465 -10.302 -5.922
231 HA SER 35 HA SER 35 -14.217 -8.362 -3.883
232 HB2 SER 35 2HB SER 35 -12.217 -9.753 -3.061
233 HB3 SER 35 1HB SER 35 -11.303 -8.979 -4.368
234 HG SER 35 HG SER 35 -11.852 -8.016 -1.953
235 H LYS 36 H LYS 36 -13.615 -6.228 -4.432
236 HA LYS 36 HA LYS 36 -12.418 -5.874 -7.084
237 HB2 LYS 36 2HB LYS 36 -13.934 -3.846 -7.318
238 HB3 LYS 36 1HB LYS 36 -14.684 -5.423 -7.496
239 HG2 LYS 36 2HG LYS 36 -16.211 -4.263 -6.206
240 HG3 LYS 36 1HG LYS 36 -15.294 -5.163 -4.999
241 HD2 LYS 36 2HD LYS 36 -14.014 -3.219 -4.427
242 HD3 LYS 36 1HD LYS 36 -14.705 -2.309 -5.773
243 HE2 LYS 36 2HE LYS 36 -16.938 -2.548 -4.713
244 HE3 LYS 36 1HE LYS 36 -16.160 -3.319 -3.332
245 HZ1 LYS 36 3HZ LYS 36 -15.005 -1.331 -2.820
246 HZ2 LYS 36 1HZ LYS 36 -16.622 -0.892 -3.081
247 HZ3 LYS 36 2HZ LYS 36 -15.455 -0.597 -4.281
248 H ASN 37 H ASN 37 -12.223 -5.267 -3.835
249 HA ASN 37 HA ASN 37 -10.106 -3.315 -4.171
250 HB2 ASN 37 2HB ASN 37 -12.562 -2.235 -3.859
251 HB3 ASN 37 1HB ASN 37 -12.171 -2.520 -2.169
252 HD21 ASN 37 1HD2 ASN 37 -9.296 -2.073 -2.610
253 HD22 ASN 37 2HD2 ASN 37 -9.125 -0.369 -2.796
254 H GLN 38 H GLN 38 -8.829 -5.094 -3.279
255 HA GLN 38 HA GLN 38 -9.740 -6.019 -0.625
256 HB2 GLN 38 2HB GLN 38 -9.787 -7.644 -2.580
257 HB3 GLN 38 1HB GLN 38 -8.034 -7.597 -2.539
258 HG2 GLN 38 2HG GLN 38 -8.932 -9.542 -1.371
259 HG3 GLN 38 1HG GLN 38 -8.033 -8.485 -0.287
260 HE21 GLN 38 1HE2 GLN 38 -9.038 -7.640 1.442
261 HE22 GLN 38 2HE2 GLN 38 -10.712 -7.859 1.829
262 H CYS 39 H CYS 39 -8.342 -6.185 1.031
263 HA CYS 39 HA CYS 39 -5.716 -4.976 0.722
264 HB2 CYS 39 2HB CYS 39 -7.391 -5.609 3.139
265 HB3 CYS 39 1HB CYS 39 -5.738 -5.035 3.247
266 HG CYS 39 HG CYS 39 -7.306 -2.975 1.296
267 H VAL 40 H VAL 40 -4.207 -6.448 0.132
268 HA VAL 40 HA VAL 40 -4.096 -8.981 1.609
269 HB VAL 40 HB VAL 40 -3.967 -8.771 -0.972
270 HG11 VAL 40 1HG1 VAL 40 -2.297 -7.044 -1.125
271 HG12 VAL 40 2HG1 VAL 40 -1.685 -8.527 -1.861
272 HG13 VAL 40 3HG1 VAL 40 -1.135 -8.045 -0.256
273 HG21 VAL 40 3HG2 VAL 40 -1.931 -10.410 0.536
274 HG22 VAL 40 1HG2 VAL 40 -2.488 -10.721 -1.109
275 HG23 VAL 40 2HG2 VAL 40 -3.613 -10.854 0.243
276 H THR 41 H THR 41 -1.869 -9.650 2.339
277 HA THR 41 HA THR 41 -0.624 -7.366 3.627
278 HB THR 41 HB THR 41 0.739 -9.236 4.778
279 HG1 THR 41 HG1 THR 41 -1.437 -10.913 4.202
280 HG21 THR 41 3HG2 THR 41 -1.022 -7.947 5.890
281 HG22 THR 41 1HG2 THR 41 -1.062 -9.636 6.393
282 HG23 THR 41 2HG2 THR 41 -2.242 -9.034 5.231
283 H GLY 42 H GLY 42 1.210 -6.523 3.119
284 HA2 GLY 42 2HA GLY 42 3.501 -7.661 2.135
285 HA3 GLY 42 1HA GLY 42 2.545 -7.266 0.710
286 H GLU 43 H GLU 43 3.835 -5.621 -0.047
287 HA GLU 43 HA GLU 43 3.854 -3.209 1.631
288 HB2 GLU 43 2HB GLU 43 6.088 -4.395 0.017
289 HB3 GLU 43 1HB GLU 43 6.041 -2.671 0.363
290 HG2 GLU 43 2HG GLU 43 5.901 -4.773 2.499
291 HG3 GLU 43 1HG GLU 43 7.411 -4.082 1.921
292 H GLY 44 H GLY 44 2.368 -1.967 0.703
293 HA2 GLY 44 2HA GLY 44 2.042 -1.976 -2.173
294 HA3 GLY 44 1HA GLY 44 1.040 -1.127 -1.009
295 H THR 45 H THR 45 1.105 0.736 -2.213
296 HA THR 45 HA THR 45 3.557 2.304 -1.907
297 HB THR 45 HB THR 45 2.245 3.096 -4.334
298 HG1 THR 45 HG1 THR 45 2.057 0.494 -3.980
299 HG21 THR 45 3HG2 THR 45 4.949 1.858 -3.818
300 HG22 THR 45 1HG2 THR 45 4.569 3.581 -3.781
301 HG23 THR 45 2HG2 THR 45 4.469 2.687 -5.299
302 HA PRO 46 HA PRO 46 0.768 5.333 -0.244
303 HB2 PRO 46 2HB PRO 46 2.562 7.274 -1.618
304 HB3 PRO 46 1HB PRO 46 2.052 7.226 0.073
305 HG2 PRO 46 2HG PRO 46 4.509 6.488 -0.624
306 HG3 PRO 46 1HG PRO 46 3.619 5.608 0.632
307 HD2 PRO 46 2HD PRO 46 4.134 4.851 -2.214
308 HD3 PRO 46 1HD PRO 46 4.088 3.827 -0.764
309 H LYS 47 H LYS 47 -0.992 6.496 -0.986
310 HA LYS 47 HA LYS 47 -1.499 6.204 -3.821
311 HB2 LYS 47 2HB LYS 47 -3.124 5.658 -1.857
312 HB3 LYS 47 1HB LYS 47 -3.433 7.389 -1.849
313 HG2 LYS 47 2HG LYS 47 -3.804 7.020 -4.408
314 HG3 LYS 47 1HG LYS 47 -4.085 5.354 -3.908
315 HD2 LYS 47 2HD LYS 47 -6.183 5.963 -3.470
316 HD3 LYS 47 1HD LYS 47 -5.535 6.854 -2.091
317 HE2 LYS 47 2HE LYS 47 -5.802 7.985 -4.864
318 HE3 LYS 47 1HE LYS 47 -7.002 8.204 -3.593
319 HZ1 LYS 47 3HZ LYS 47 -4.196 9.189 -3.597
320 HZ2 LYS 47 1HZ LYS 47 -5.225 9.266 -2.254
321 HZ3 LYS 47 2HZ LYS 47 -5.611 10.115 -3.661
322 HA PRO 48 HA PRO 48 0.198 10.136 -4.831
323 HB2 PRO 48 2HB PRO 48 -1.641 10.465 -6.978
324 HB3 PRO 48 1HB PRO 48 0.031 9.912 -7.055
325 HG2 PRO 48 2HG PRO 48 -2.481 8.349 -7.039
326 HG3 PRO 48 1HG PRO 48 -0.903 7.938 -7.732
327 HD2 PRO 48 2HD PRO 48 -1.818 6.759 -5.498
328 HD3 PRO 48 1HD PRO 48 -0.092 7.126 -5.716
329 H GLN 49 H GLN 49 -0.204 12.216 -4.756
330 HA GLN 49 HA GLN 49 -2.841 13.062 -3.769
331 HB2 GLN 49 2HB GLN 49 -1.413 14.636 -2.282
332 HB3 GLN 49 1HB GLN 49 -1.617 12.956 -1.811
333 HG2 GLN 49 2HG GLN 49 0.546 12.415 -2.793
334 HG3 GLN 49 1HG GLN 49 0.771 14.103 -3.230
335 HE21 GLN 49 1HE2 GLN 49 0.770 11.773 -0.680
336 HE22 GLN 49 2HE2 GLN 49 1.444 12.792 0.540
337 H SER 50 H SER 50 0.008 13.711 -5.588
338 HA SER 50 HA SER 50 -0.829 16.407 -6.313
339 HB2 SER 50 2HB SER 50 1.202 16.435 -7.694
340 HB3 SER 50 1HB SER 50 1.589 15.878 -6.067
341 HG SER 50 HG SER 50 1.579 13.741 -6.850
342 H HIS 51 H HIS 51 -0.753 13.154 -7.594
343 HA HIS 51 HA HIS 51 -1.766 13.973 -10.180
344 HB2 HIS 51 2HB HIS 51 -1.509 11.198 -9.059
345 HB3 HIS 51 1HB HIS 51 -1.722 11.623 -10.754
346 HD1 HIS 51 HD1 HIS 51 0.406 13.394 -11.554
347 HD2 HIS 51 HD2 HIS 51 1.048 10.567 -8.572
348 HE1 HIS 51 HE1 HIS 51 2.896 13.072 -11.448
349 HE2 HIS 51 HE2 HIS 51 3.221 11.168 -9.825
Start of MODEL 9
1 H1 VAL 1 1H VAL 1 -6.410 16.943 6.951
2 H2 VAL 1 2H VAL 1 -7.616 15.795 6.650
3 H3 VAL 1 3H VAL 1 -7.182 16.896 5.438
4 HA VAL 1 HA VAL 1 -5.019 15.911 5.252
5 HB VAL 1 HB VAL 1 -5.955 13.904 7.277
6 HG11 VAL 1 1HG1 VAL 1 -4.454 12.969 5.619
7 HG12 VAL 1 2HG1 VAL 1 -3.637 13.091 7.177
8 HG13 VAL 1 3HG1 VAL 1 -3.298 14.269 5.909
9 HG21 VAL 1 3HG2 VAL 1 -4.283 14.842 8.786
10 HG22 VAL 1 1HG2 VAL 1 -5.506 16.040 8.360
11 HG23 VAL 1 2HG2 VAL 1 -3.915 16.094 7.599
12 H VAL 2 H VAL 2 -5.010 14.788 3.380
13 HA VAL 2 HA VAL 2 -7.661 13.924 2.561
14 HB VAL 2 HB VAL 2 -5.224 14.205 0.804
15 HG11 VAL 2 1HG1 VAL 2 -7.064 12.942 -0.172
16 HG12 VAL 2 2HG1 VAL 2 -6.880 14.499 -0.981
17 HG13 VAL 2 3HG1 VAL 2 -8.180 14.259 0.188
18 HG21 VAL 2 3HG2 VAL 2 -5.989 16.455 0.274
19 HG22 VAL 2 1HG2 VAL 2 -5.630 16.309 1.993
20 HG23 VAL 2 2HG2 VAL 2 -7.305 16.300 1.438
21 H TYR 3 H TYR 3 -7.564 11.862 3.774
22 HA TYR 3 HA TYR 3 -6.185 9.780 2.266
23 HB2 TYR 3 2HB TYR 3 -8.263 9.467 4.440
24 HB3 TYR 3 1HB TYR 3 -7.371 8.171 3.680
25 HD1 TYR 3 HD2 TYR 3 -6.953 11.167 5.852
26 HD2 TYR 3 HD1 TYR 3 -5.316 7.469 4.521
27 HE1 TYR 3 HE2 TYR 3 -5.218 11.314 7.587
28 HE2 TYR 3 HE1 TYR 3 -3.581 7.607 6.258
29 HH TYR 3 HH TYR 3 -2.460 9.348 7.609
30 H THR 4 H THR 4 -7.342 8.250 1.058
31 HA THR 4 HA THR 4 -10.099 8.806 0.369
32 HB THR 4 HB THR 4 -9.195 8.677 -2.158
33 HG1 THR 4 HG1 THR 4 -7.310 10.499 -1.340
34 HG21 THR 4 3HG2 THR 4 -9.484 11.091 -2.308
35 HG22 THR 4 1HG2 THR 4 -9.316 11.237 -0.557
36 HG23 THR 4 2HG2 THR 4 -10.705 10.395 -1.243
37 H ASP 5 H ASP 5 -10.436 7.268 -1.787
38 HA ASP 5 HA ASP 5 -9.866 4.619 -0.744
39 HB2 ASP 5 2HB ASP 5 -11.450 5.524 -3.180
40 HB3 ASP 5 1HB ASP 5 -11.332 3.862 -2.614
41 H CYS 6 H CYS 6 -8.779 3.009 -2.008
42 HA CYS 6 HA CYS 6 -6.440 3.970 -3.237
43 HB2 CYS 6 2HB CYS 6 -7.555 1.208 -3.633
44 HB3 CYS 6 1HB CYS 6 -5.871 1.718 -3.667
45 HG CYS 6 HG CYS 6 -6.345 2.567 -0.795
46 H THR 7 H THR 7 -5.988 4.498 -5.238
47 HA THR 7 HA THR 7 -8.133 4.393 -7.216
48 HB THR 7 HB THR 7 -5.489 5.826 -7.473
49 HG1 THR 7 HG1 THR 7 -7.444 7.513 -6.780
50 HG21 THR 7 3HG2 THR 7 -6.738 7.299 -8.980
51 HG22 THR 7 1HG2 THR 7 -8.206 6.362 -8.697
52 HG23 THR 7 2HG2 THR 7 -6.833 5.624 -9.524
53 H GLU 8 H GLU 8 -5.309 2.789 -6.347
54 HA GLU 8 HA GLU 8 -4.938 1.640 -9.010
55 HB2 GLU 8 2HB GLU 8 -2.872 3.020 -7.314
56 HB3 GLU 8 1HB GLU 8 -2.421 1.891 -8.571
57 HG2 GLU 8 2HG GLU 8 -3.347 3.286 -10.262
58 HG3 GLU 8 1HG GLU 8 -4.119 4.320 -9.060
59 H SER 9 H SER 9 -3.929 -0.395 -9.010
60 HA SER 9 HA SER 9 -4.297 -1.872 -6.536
61 HB2 SER 9 2HB SER 9 -3.495 -2.862 -9.295
62 HB3 SER 9 1HB SER 9 -3.966 -3.865 -7.919
63 HG SER 9 HG SER 9 -5.529 -2.693 -9.740
64 H GLY 10 H GLY 10 -2.660 -2.403 -5.232
65 HA2 GLY 10 2HA GLY 10 -0.330 -3.077 -4.956
66 HA3 GLY 10 1HA GLY 10 0.090 -1.945 -6.234
67 H GLN 11 H GLN 11 -2.188 -0.373 -4.661
68 HA GLN 11 HA GLN 11 -0.286 1.194 -3.104
69 HB2 GLN 11 2HB GLN 11 -2.777 1.690 -4.491
70 HB3 GLN 11 1HB GLN 11 -2.856 2.294 -2.836
71 HG2 GLN 11 2HG GLN 11 -1.779 4.075 -3.524
72 HG3 GLN 11 1HG GLN 11 -0.360 3.071 -3.755
73 HE21 GLN 11 1HE2 GLN 11 -2.935 4.788 -5.232
74 HE22 GLN 11 2HE2 GLN 11 -2.365 4.664 -6.866
75 H ASN 12 H ASN 12 -0.927 1.915 -0.863
76 HA ASN 12 HA ASN 12 -2.679 -0.038 0.438
77 HB2 ASN 12 2HB ASN 12 -1.061 0.069 2.436
78 HB3 ASN 12 1HB ASN 12 -0.707 -0.990 1.086
79 HD21 ASN 12 1HD2 ASN 12 1.445 -1.039 1.692
80 HD22 ASN 12 2HD2 ASN 12 2.519 0.277 1.367
81 H LEU 13 H LEU 13 -0.860 2.909 1.208
82 HA LEU 13 HA LEU 13 -2.333 3.667 3.451
83 HB2 LEU 13 2HB LEU 13 -0.612 5.232 1.557
84 HB3 LEU 13 1HB LEU 13 -1.350 5.974 2.962
85 HG LEU 13 HG LEU 13 0.493 3.592 3.116
86 HD11 LEU 13 1HD1 LEU 13 1.114 6.517 3.510
87 HD12 LEU 13 2HD1 LEU 13 1.694 5.500 2.191
88 HD13 LEU 13 3HD1 LEU 13 2.209 5.176 3.846
89 HD21 LEU 13 3HD2 LEU 13 0.627 4.195 5.479
90 HD22 LEU 13 1HD2 LEU 13 -1.040 3.867 5.009
91 HD23 LEU 13 2HD2 LEU 13 -0.493 5.530 5.209
92 H CYS 14 H CYS 14 -4.415 3.104 2.216
93 HA CYS 14 HA CYS 14 -5.878 5.591 1.941
94 HB2 CYS 14 2HB CYS 14 -6.906 4.272 -0.233
95 HB3 CYS 14 1HB CYS 14 -5.735 5.583 -0.322
96 HG CYS 14 HG CYS 14 -4.267 2.638 0.117
97 H LEU 15 H LEU 15 -8.317 5.016 1.600
98 HA LEU 15 HA LEU 15 -8.937 2.846 3.435
99 HB2 LEU 15 2HB LEU 15 -11.337 3.889 2.382
100 HB3 LEU 15 1HB LEU 15 -10.671 4.122 3.981
101 HG LEU 15 HG LEU 15 -9.904 5.907 1.683
102 HD11 LEU 15 1HD1 LEU 15 -11.623 7.465 2.451
103 HD12 LEU 15 2HD1 LEU 15 -12.207 6.263 3.603
104 HD13 LEU 15 3HD1 LEU 15 -12.336 5.960 1.869
105 HD21 LEU 15 3HD2 LEU 15 -9.930 6.324 4.670
106 HD22 LEU 15 1HD2 LEU 15 -9.365 7.473 3.458
107 HD23 LEU 15 2HD2 LEU 15 -8.502 5.954 3.702
108 H CYS 16 H CYS 16 -8.216 1.173 2.078
109 HA CYS 16 HA CYS 16 -9.160 0.597 -0.487
110 HB2 CYS 16 2HB CYS 16 -7.222 -0.523 0.352
111 HB3 CYS 16 1HB CYS 16 -8.109 -1.161 1.724
112 HG CYS 16 HG CYS 16 -8.322 -3.431 0.586
113 H GLU 17 H GLU 17 -10.017 -1.206 2.428
114 HA GLU 17 HA GLU 17 -12.610 -1.888 1.241
115 HB2 GLU 17 2HB GLU 17 -10.834 -3.419 2.570
116 HB3 GLU 17 1HB GLU 17 -11.815 -2.857 3.914
117 HG2 GLU 17 2HG GLU 17 -13.063 -4.117 1.501
118 HG3 GLU 17 1HG GLU 17 -12.420 -5.088 2.823
119 H GLY 18 H GLY 18 -14.476 -1.171 2.081
120 HA2 GLY 18 2HA GLY 18 -15.816 0.468 3.081
121 HA3 GLY 18 1HA GLY 18 -15.418 -0.543 4.455
122 H SER 19 H SER 19 -14.139 0.234 6.046
123 HA SER 19 HA SER 19 -13.174 3.000 5.769
124 HB2 SER 19 2HB SER 19 -13.458 2.862 8.377
125 HB3 SER 19 1HB SER 19 -14.861 3.185 7.352
126 HG SER 19 HG SER 19 -15.052 1.470 9.023
127 H ASN 20 H ASN 20 -11.893 0.242 5.431
128 HA ASN 20 HA ASN 20 -9.936 0.141 7.578
129 HB2 ASN 20 2HB ASN 20 -10.232 -1.513 5.057
130 HB3 ASN 20 1HB ASN 20 -9.024 -1.798 6.298
131 HD21 ASN 20 1HD2 ASN 20 -12.269 -0.827 7.112
132 HD22 ASN 20 2HD2 ASN 20 -12.780 -2.356 7.744
133 H VAL 21 H VAL 21 -8.486 1.768 7.452
134 HA VAL 21 HA VAL 21 -7.436 2.569 4.861
135 HB VAL 21 HB VAL 21 -6.618 3.597 7.591
136 HG11 VAL 21 1HG1 VAL 21 -5.785 5.528 6.357
137 HG12 VAL 21 2HG1 VAL 21 -6.266 4.772 4.839
138 HG13 VAL 21 3HG1 VAL 21 -4.999 4.043 5.825
139 HG21 VAL 21 3HG2 VAL 21 -8.990 3.970 7.275
140 HG22 VAL 21 1HG2 VAL 21 -8.691 4.668 5.684
141 HG23 VAL 21 2HG2 VAL 21 -8.113 5.494 7.131
142 H CYS 22 H CYS 22 -6.052 1.169 4.049
143 HA CYS 22 HA CYS 22 -4.444 -0.539 5.674
144 HB2 CYS 22 2HB CYS 22 -5.271 -0.419 2.923
145 HB3 CYS 22 1HB CYS 22 -3.524 -0.618 3.001
146 HG CYS 22 HG CYS 22 -4.894 -3.101 2.708
147 H GLY 23 H GLY 23 -2.147 -0.660 5.663
148 HA2 GLY 23 2HA GLY 23 -0.757 1.802 4.867
149 HA3 GLY 23 1HA GLY 23 -0.631 1.235 6.525
150 H GLN 24 H GLN 24 1.376 0.459 6.763
151 HA GLN 24 HA GLN 24 2.732 -0.646 4.451
152 HB2 GLN 24 2HB GLN 24 3.822 -0.136 7.232
153 HB3 GLN 24 1HB GLN 24 4.766 -0.518 5.802
154 HG2 GLN 24 2HG GLN 24 5.061 1.752 5.957
155 HG3 GLN 24 1HG GLN 24 3.699 1.654 4.844
156 HE21 GLN 24 1HE2 GLN 24 4.722 2.478 8.061
157 HE22 GLN 24 2HE2 GLN 24 3.279 3.320 8.517
158 H GLY 25 H GLY 25 3.080 -2.716 4.109
159 HA2 GLY 25 2HA GLY 25 3.605 -4.943 4.923
160 HA3 GLY 25 1HA GLY 25 2.591 -4.611 6.324
161 H ASN 26 H ASN 26 0.809 -3.204 4.234
162 HA ASN 26 HA ASN 26 -0.436 -5.647 3.168
163 HB2 ASN 26 2HB ASN 26 -1.750 -3.121 4.173
164 HB3 ASN 26 1HB ASN 26 -2.595 -4.368 3.260
165 HD21 ASN 26 1HD2 ASN 26 -1.240 -3.482 6.317
166 HD22 ASN 26 2HD2 ASN 26 -1.826 -4.852 7.201
167 H LYS 27 H LYS 27 -1.659 -5.323 1.189
168 HA LYS 27 HA LYS 27 -0.987 -2.951 -0.348
169 HB2 LYS 27 2HB LYS 27 0.853 -4.457 -0.858
170 HB3 LYS 27 1HB LYS 27 -0.272 -5.753 -1.235
171 HG2 LYS 27 2HG LYS 27 -0.921 -4.786 -3.237
172 HG3 LYS 27 1HG LYS 27 -0.369 -3.181 -2.755
173 HD2 LYS 27 2HD LYS 27 1.134 -4.103 -4.416
174 HD3 LYS 27 1HD LYS 27 1.960 -3.971 -2.860
175 HE2 LYS 27 2HE LYS 27 2.509 -6.080 -3.911
176 HE3 LYS 27 1HE LYS 27 1.541 -6.368 -2.467
177 HZ1 LYS 27 3HZ LYS 27 -0.395 -6.681 -3.863
178 HZ2 LYS 27 1HZ LYS 27 0.836 -7.747 -4.327
179 HZ3 LYS 27 2HZ LYS 27 0.511 -6.364 -5.257
180 H CYS 28 H CYS 28 -2.752 -2.289 -1.371
181 HA CYS 28 HA CYS 28 -5.064 -4.042 -1.435
182 HB2 CYS 28 2HB CYS 28 -5.474 -1.844 -0.584
183 HB3 CYS 28 1HB CYS 28 -4.690 -1.096 -1.973
184 HG CYS 28 HG CYS 28 -7.710 -2.676 -1.899
185 H ILE 29 H ILE 29 -6.103 -4.707 -3.267
186 HA ILE 29 HA ILE 29 -5.018 -3.851 -5.849
187 HB ILE 29 HB ILE 29 -5.458 -6.266 -6.629
188 HG12 ILE 29 2HG1 ILE 29 -5.053 -6.749 -3.672
189 HG13 ILE 29 1HG1 ILE 29 -6.573 -6.981 -4.533
190 HG21 ILE 29 1HG2 ILE 29 -3.107 -5.606 -4.863
191 HG22 ILE 29 2HG2 ILE 29 -3.252 -5.290 -6.591
192 HG23 ILE 29 3HG2 ILE 29 -3.171 -6.950 -6.002
193 HD11 ILE 29 3HD1 ILE 29 -4.013 -8.501 -5.005
194 HD12 ILE 29 1HD1 ILE 29 -5.522 -8.726 -5.892
195 HD13 ILE 29 2HD1 ILE 29 -5.449 -9.095 -4.170
196 H LEU 30 H LEU 30 -6.517 -3.292 -7.241
197 HA LEU 30 HA LEU 30 -9.306 -3.684 -6.474
198 HB2 LEU 30 2HB LEU 30 -7.983 -1.704 -8.317
199 HB3 LEU 30 1HB LEU 30 -9.721 -1.865 -8.176
200 HG LEU 30 HG LEU 30 -9.356 -1.399 -5.665
201 HD11 LEU 30 1HD1 LEU 30 -7.411 -0.056 -5.122
202 HD12 LEU 30 2HD1 LEU 30 -6.784 -0.281 -6.754
203 HD13 LEU 30 3HD1 LEU 30 -6.928 -1.662 -5.668
204 HD21 LEU 30 3HD2 LEU 30 -9.436 1.013 -6.066
205 HD22 LEU 30 1HD2 LEU 30 -10.466 0.131 -7.194
206 HD23 LEU 30 2HD2 LEU 30 -8.903 0.752 -7.726
207 H GLY 31 H GLY 31 -10.408 -5.188 -7.446
208 HA2 GLY 31 2HA GLY 31 -11.515 -6.231 -9.144
209 HA3 GLY 31 1HA GLY 31 -10.628 -5.228 -10.256
210 H ARG 32 H ARG 32 -10.787 -8.256 -8.645
211 HA ARG 32 HA ARG 32 -9.261 -9.439 -10.765
212 HB2 ARG 32 2HB ARG 32 -7.642 -8.646 -8.806
213 HB3 ARG 32 1HB ARG 32 -8.190 -10.149 -8.071
214 HG2 ARG 32 2HG ARG 32 -6.128 -10.503 -9.294
215 HG3 ARG 32 1HG ARG 32 -7.457 -11.382 -10.059
216 HD2 ARG 32 2HD ARG 32 -7.712 -9.479 -11.645
217 HD3 ARG 32 1HD ARG 32 -6.274 -8.751 -10.939
218 HE ARG 32 HE ARG 32 -6.165 -11.419 -12.178
219 HH11 ARG 32 1HH1 ARG 32 -5.047 -8.103 -11.957
220 HH12 ARG 32 2HH1 ARG 32 -3.780 -8.325 -13.128
221 HH21 ARG 32 1HH2 ARG 32 -4.556 -11.700 -13.760
222 HH22 ARG 32 2HH2 ARG 32 -3.488 -10.382 -14.150
223 H GLY 33 H GLY 33 -11.040 -10.656 -11.216
224 HA2 GLY 33 2HA GLY 33 -12.360 -12.541 -11.055
225 HA3 GLY 33 1HA GLY 33 -11.558 -12.935 -9.538
226 H ASP 34 H ASP 34 -12.720 -12.738 -7.741
227 HA ASP 34 HA ASP 34 -15.268 -11.311 -7.867
228 HB2 ASP 34 2HB ASP 34 -14.127 -13.141 -5.741
229 HB3 ASP 34 1HB ASP 34 -15.711 -12.378 -5.661
230 H SER 35 H SER 35 -12.212 -10.507 -7.272
231 HA SER 35 HA SER 35 -12.638 -8.894 -4.900
232 HB2 SER 35 2HB SER 35 -10.457 -10.127 -5.389
233 HB3 SER 35 1HB SER 35 -10.192 -8.940 -6.675
234 HG SER 35 HG SER 35 -10.770 -8.087 -4.055
235 H LYS 36 H LYS 36 -12.660 -6.690 -4.895
236 HA LYS 36 HA LYS 36 -12.416 -5.303 -7.461
237 HB2 LYS 36 2HB LYS 36 -14.353 -3.789 -6.622
238 HB3 LYS 36 1HB LYS 36 -14.731 -5.334 -7.365
239 HG2 LYS 36 2HG LYS 36 -16.145 -5.238 -5.529
240 HG3 LYS 36 1HG LYS 36 -14.814 -6.250 -4.975
241 HD2 LYS 36 2HD LYS 36 -15.316 -4.744 -3.216
242 HD3 LYS 36 1HD LYS 36 -13.811 -4.187 -3.948
243 HE2 LYS 36 2HE LYS 36 -15.190 -2.275 -3.545
244 HE3 LYS 36 1HE LYS 36 -15.148 -2.556 -5.285
245 HZ1 LYS 36 3HZ LYS 36 -17.336 -3.520 -3.520
246 HZ2 LYS 36 1HZ LYS 36 -17.318 -3.493 -5.217
247 HZ3 LYS 36 2HZ LYS 36 -17.389 -2.039 -4.344
248 H ASN 37 H ASN 37 -12.193 -5.219 -3.985
249 HA ASN 37 HA ASN 37 -10.176 -3.169 -4.119
250 HB2 ASN 37 2HB ASN 37 -12.707 -2.220 -3.821
251 HB3 ASN 37 1HB ASN 37 -12.290 -2.515 -2.137
252 HD21 ASN 37 1HD2 ASN 37 -9.449 -1.950 -2.570
253 HD22 ASN 37 2HD2 ASN 37 -9.328 -0.242 -2.737
254 H GLN 38 H GLN 38 -8.983 -5.082 -3.336
255 HA GLN 38 HA GLN 38 -9.761 -5.903 -0.606
256 HB2 GLN 38 2HB GLN 38 -9.663 -7.473 -2.822
257 HB3 GLN 38 1HB GLN 38 -8.052 -7.714 -2.180
258 HG2 GLN 38 2HG GLN 38 -10.622 -8.184 -0.685
259 HG3 GLN 38 1HG GLN 38 -9.626 -9.426 -1.437
260 HE21 GLN 38 1HE2 GLN 38 -7.675 -9.979 -0.512
261 HE22 GLN 38 2HE2 GLN 38 -7.268 -9.555 1.115
262 H CYS 39 H CYS 39 -8.209 -6.193 0.932
263 HA CYS 39 HA CYS 39 -5.583 -5.031 0.414
264 HB2 CYS 39 2HB CYS 39 -7.094 -5.599 2.954
265 HB3 CYS 39 1HB CYS 39 -5.415 -5.097 2.938
266 HG CYS 39 HG CYS 39 -6.596 -2.792 3.574
267 H VAL 40 H VAL 40 -4.226 -6.591 -0.326
268 HA VAL 40 HA VAL 40 -4.209 -9.196 0.994
269 HB VAL 40 HB VAL 40 -4.072 -8.765 -1.568
270 HG11 VAL 40 1HG1 VAL 40 -1.179 -8.384 -0.822
271 HG12 VAL 40 2HG1 VAL 40 -2.242 -7.174 -1.541
272 HG13 VAL 40 3HG1 VAL 40 -1.797 -8.615 -2.457
273 HG21 VAL 40 3HG2 VAL 40 -2.222 -10.700 -0.182
274 HG22 VAL 40 1HG2 VAL 40 -2.725 -10.810 -1.870
275 HG23 VAL 40 2HG2 VAL 40 -3.919 -10.966 -0.580
276 H THR 41 H THR 41 -2.097 -10.065 1.734
277 HA THR 41 HA THR 41 -0.690 -7.985 3.194
278 HB THR 41 HB THR 41 0.465 -9.939 4.297
279 HG1 THR 41 HG1 THR 41 -0.006 -11.431 2.525
280 HG21 THR 41 3HG2 THR 41 -1.479 -10.556 5.648
281 HG22 THR 41 1HG2 THR 41 -2.552 -9.891 4.415
282 HG23 THR 41 2HG2 THR 41 -1.467 -8.826 5.308
283 H GLY 42 H GLY 42 1.221 -7.201 2.658
284 HA2 GLY 42 2HA GLY 42 3.396 -8.612 1.661
285 HA3 GLY 42 1HA GLY 42 2.543 -7.972 0.264
286 H GLU 43 H GLU 43 3.371 -6.128 -0.442
287 HA GLU 43 HA GLU 43 3.901 -3.985 1.450
288 HB2 GLU 43 2HB GLU 43 6.073 -3.448 0.339
289 HB3 GLU 43 1HB GLU 43 6.098 -4.954 1.243
290 HG2 GLU 43 2HG GLU 43 5.912 -6.232 -0.791
291 HG3 GLU 43 1HG GLU 43 5.733 -4.754 -1.738
292 H GLY 44 H GLY 44 2.800 -2.302 0.749
293 HA2 GLY 44 2HA GLY 44 2.126 -2.195 -2.110
294 HA3 GLY 44 1HA GLY 44 1.208 -1.442 -0.817
295 H THR 45 H THR 45 1.214 0.559 -1.746
296 HA THR 45 HA THR 45 3.675 2.089 -1.467
297 HB THR 45 HB THR 45 2.481 3.025 -3.857
298 HG1 THR 45 HG1 THR 45 2.214 0.343 -3.606
299 HG21 THR 45 3HG2 THR 45 5.040 1.474 -3.430
300 HG22 THR 45 1HG2 THR 45 4.847 3.219 -3.256
301 HG23 THR 45 2HG2 THR 45 4.658 2.465 -4.839
302 HA PRO 46 HA PRO 46 0.821 5.185 0.106
303 HB2 PRO 46 2HB PRO 46 2.699 7.082 -1.215
304 HB3 PRO 46 1HB PRO 46 2.118 7.059 0.454
305 HG2 PRO 46 2HG PRO 46 4.602 6.290 -0.131
306 HG3 PRO 46 1HG PRO 46 3.650 5.439 1.102
307 HD2 PRO 46 2HD PRO 46 4.276 4.633 -1.708
308 HD3 PRO 46 1HD PRO 46 4.166 3.633 -0.244
309 H LYS 47 H LYS 47 -0.846 6.463 -0.791
310 HA LYS 47 HA LYS 47 -1.284 5.824 -3.582
311 HB2 LYS 47 2HB LYS 47 -2.978 5.489 -1.692
312 HB3 LYS 47 1HB LYS 47 -3.207 7.234 -1.750
313 HG2 LYS 47 2HG LYS 47 -3.573 6.791 -4.299
314 HG3 LYS 47 1HG LYS 47 -3.931 5.159 -3.743
315 HD2 LYS 47 2HD LYS 47 -6.022 6.109 -3.685
316 HD3 LYS 47 1HD LYS 47 -5.472 6.407 -2.037
317 HE2 LYS 47 2HE LYS 47 -5.234 8.386 -4.297
318 HE3 LYS 47 1HE LYS 47 -6.545 8.376 -3.124
319 HZ1 LYS 47 3HZ LYS 47 -3.662 8.807 -2.528
320 HZ2 LYS 47 1HZ LYS 47 -4.888 8.716 -1.359
321 HZ3 LYS 47 2HZ LYS 47 -4.886 9.976 -2.485
322 HA PRO 48 HA PRO 48 -0.132 10.060 -4.610
323 HB2 PRO 48 2HB PRO 48 -0.167 9.085 -7.357
324 HB3 PRO 48 1HB PRO 48 1.191 9.708 -6.416
325 HG2 PRO 48 2HG PRO 48 0.981 7.101 -7.133
326 HG3 PRO 48 1HG PRO 48 1.770 7.624 -5.633
327 HD2 PRO 48 2HD PRO 48 -0.996 6.536 -6.037
328 HD3 PRO 48 1HD PRO 48 0.187 6.164 -4.763
329 H GLN 49 H GLN 49 -1.215 11.704 -5.608
330 HA GLN 49 HA GLN 49 -3.625 11.211 -7.135
331 HB2 GLN 49 2HB GLN 49 -4.630 13.077 -5.420
332 HB3 GLN 49 1HB GLN 49 -4.935 11.351 -5.287
333 HG2 GLN 49 2HG GLN 49 -3.152 11.124 -3.668
334 HG3 GLN 49 1HG GLN 49 -2.736 12.828 -3.853
335 HE21 GLN 49 1HE2 GLN 49 -3.855 14.336 -2.767
336 HE22 GLN 49 2HE2 GLN 49 -5.146 13.980 -1.663
337 H SER 50 H SER 50 -2.276 13.890 -5.263
338 HA SER 50 HA SER 50 -1.200 15.051 -7.699
339 HB2 SER 50 2HB SER 50 -3.495 16.057 -7.285
340 HB3 SER 50 1HB SER 50 -2.865 16.688 -5.763
341 HG SER 50 HG SER 50 -2.583 17.663 -8.258
342 H HIS 51 H HIS 51 -0.130 17.278 -6.731
343 HA HIS 51 HA HIS 51 0.823 17.367 -4.098
344 HB2 HIS 51 2HB HIS 51 2.623 16.019 -6.056
345 HB3 HIS 51 1HB HIS 51 3.328 17.063 -4.849
346 HD1 HIS 51 HD1 HIS 51 3.607 13.830 -5.129
347 HD2 HIS 51 HD2 HIS 51 1.374 15.969 -2.344
348 HE1 HIS 51 HE1 HIS 51 3.292 12.283 -3.175
349 HE2 HIS 51 HE2 HIS 51 1.693 13.495 -1.657
Start of MODEL 10
1 H1 VAL 1 1H VAL 1 -4.013 16.360 7.404
2 H2 VAL 1 2H VAL 1 -3.457 15.481 8.745
3 H3 VAL 1 3H VAL 1 -5.092 15.409 8.301
4 HA VAL 1 HA VAL 1 -2.875 14.490 6.577
5 HB VAL 1 HB VAL 1 -3.744 12.178 7.141
6 HG11 VAL 1 1HG1 VAL 1 -2.370 11.984 9.148
7 HG12 VAL 1 2HG1 VAL 1 -2.403 13.735 9.352
8 HG13 VAL 1 3HG1 VAL 1 -1.596 13.025 7.953
9 HG21 VAL 1 3HG2 VAL 1 -4.815 11.937 9.363
10 HG22 VAL 1 1HG2 VAL 1 -5.834 12.780 8.197
11 HG23 VAL 1 2HG2 VAL 1 -4.981 13.691 9.443
12 H VAL 2 H VAL 2 -3.483 13.772 4.604
13 HA VAL 2 HA VAL 2 -6.347 14.054 3.943
14 HB VAL 2 HB VAL 2 -3.973 14.484 2.115
15 HG11 VAL 2 1HG1 VAL 2 -6.910 14.980 1.655
16 HG12 VAL 2 2HG1 VAL 2 -5.953 13.684 0.938
17 HG13 VAL 2 3HG1 VAL 2 -5.607 15.365 0.531
18 HG21 VAL 2 3HG2 VAL 2 -5.820 16.505 3.380
19 HG22 VAL 2 1HG2 VAL 2 -4.557 16.857 2.199
20 HG23 VAL 2 2HG2 VAL 2 -4.127 16.242 3.796
21 H TYR 3 H TYR 3 -7.352 12.272 3.262
22 HA TYR 3 HA TYR 3 -5.732 10.116 2.090
23 HB2 TYR 3 2HB TYR 3 -7.947 9.799 4.129
24 HB3 TYR 3 1HB TYR 3 -7.255 8.470 3.214
25 HD1 TYR 3 HD2 TYR 3 -6.685 10.874 5.920
26 HD2 TYR 3 HD1 TYR 3 -5.043 7.619 3.727
27 HE1 TYR 3 HE2 TYR 3 -4.951 10.595 7.636
28 HE2 TYR 3 HE1 TYR 3 -3.298 7.342 5.435
29 HH TYR 3 HH TYR 3 -2.178 8.696 7.165
30 H THR 4 H THR 4 -7.008 8.598 0.806
31 HA THR 4 HA THR 4 -9.618 9.500 -0.089
32 HB THR 4 HB THR 4 -8.422 8.875 -2.508
33 HG1 THR 4 HG1 THR 4 -6.724 10.864 -1.513
34 HG21 THR 4 3HG2 THR 4 -8.726 11.242 -3.044
35 HG22 THR 4 1HG2 THR 4 -8.859 11.625 -1.327
36 HG23 THR 4 2HG2 THR 4 -10.092 10.634 -2.109
37 H ASP 5 H ASP 5 -10.214 7.821 -2.027
38 HA ASP 5 HA ASP 5 -9.985 5.197 -0.782
39 HB2 ASP 5 2HB ASP 5 -11.501 6.118 -3.250
40 HB3 ASP 5 1HB ASP 5 -11.592 4.504 -2.559
41 H CYS 6 H CYS 6 -9.079 3.374 -1.865
42 HA CYS 6 HA CYS 6 -6.734 3.904 -3.313
43 HB2 CYS 6 2HB CYS 6 -8.218 1.283 -3.363
44 HB3 CYS 6 1HB CYS 6 -6.492 1.555 -3.588
45 HG CYS 6 HG CYS 6 -6.649 2.742 -0.780
46 H THR 7 H THR 7 -6.294 4.056 -5.420
47 HA THR 7 HA THR 7 -8.577 3.879 -7.262
48 HB THR 7 HB THR 7 -6.020 5.388 -7.735
49 HG1 THR 7 HG1 THR 7 -7.865 7.129 -7.122
50 HG21 THR 7 3HG2 THR 7 -7.445 6.693 -9.279
51 HG22 THR 7 1HG2 THR 7 -8.800 5.628 -8.900
52 HG23 THR 7 2HG2 THR 7 -7.375 4.988 -9.718
53 H GLU 8 H GLU 8 -5.328 2.801 -6.631
54 HA GLU 8 HA GLU 8 -5.360 1.270 -9.145
55 HB2 GLU 8 2HB GLU 8 -3.524 3.268 -8.346
56 HB3 GLU 8 1HB GLU 8 -2.688 1.732 -8.198
57 HG2 GLU 8 2HG GLU 8 -4.136 2.615 -10.675
58 HG3 GLU 8 1HG GLU 8 -2.413 2.856 -10.394
59 H SER 9 H SER 9 -4.096 -0.688 -9.084
60 HA SER 9 HA SER 9 -4.445 -2.049 -6.544
61 HB2 SER 9 2HB SER 9 -3.554 -3.078 -9.252
62 HB3 SER 9 1HB SER 9 -3.909 -4.084 -7.843
63 HG SER 9 HG SER 9 -5.662 -2.575 -9.465
64 H GLY 10 H GLY 10 -2.861 -2.196 -5.120
65 HA2 GLY 10 2HA GLY 10 -0.499 -2.884 -4.783
66 HA3 GLY 10 1HA GLY 10 -0.089 -1.810 -6.110
67 H GLN 11 H GLN 11 -2.418 -0.172 -4.666
68 HA GLN 11 HA GLN 11 -0.549 1.393 -3.064
69 HB2 GLN 11 2HB GLN 11 -3.144 1.882 -4.360
70 HB3 GLN 11 1HB GLN 11 -2.953 2.669 -2.793
71 HG2 GLN 11 2HG GLN 11 -1.816 4.252 -3.782
72 HG3 GLN 11 1HG GLN 11 -0.554 3.092 -4.168
73 HE21 GLN 11 1HE2 GLN 11 -3.321 4.823 -5.326
74 HE22 GLN 11 2HE2 GLN 11 -3.052 4.529 -7.006
75 H ASN 12 H ASN 12 -1.187 2.133 -0.882
76 HA ASN 12 HA ASN 12 -2.929 0.212 0.477
77 HB2 ASN 12 2HB ASN 12 -1.238 0.304 2.415
78 HB3 ASN 12 1HB ASN 12 -0.924 -0.753 1.052
79 HD21 ASN 12 1HD2 ASN 12 1.243 -0.809 1.557
80 HD22 ASN 12 2HD2 ASN 12 2.305 0.516 1.216
81 H LEU 13 H LEU 13 -1.024 3.130 1.131
82 HA LEU 13 HA LEU 13 -2.483 4.030 3.344
83 HB2 LEU 13 2HB LEU 13 -0.737 5.491 1.377
84 HB3 LEU 13 1HB LEU 13 -1.433 6.272 2.783
85 HG LEU 13 HG LEU 13 0.356 3.851 2.967
86 HD11 LEU 13 1HD1 LEU 13 2.149 5.382 3.573
87 HD12 LEU 13 2HD1 LEU 13 1.094 6.761 3.268
88 HD13 LEU 13 3HD1 LEU 13 1.576 5.709 1.937
89 HD21 LEU 13 3HD2 LEU 13 -0.455 5.905 5.019
90 HD22 LEU 13 1HD2 LEU 13 0.558 4.489 5.291
91 HD23 LEU 13 2HD2 LEU 13 -1.144 4.289 4.877
92 H CYS 14 H CYS 14 -4.548 3.430 2.109
93 HA CYS 14 HA CYS 14 -5.970 5.897 1.615
94 HB2 CYS 14 2HB CYS 14 -6.989 4.591 -0.490
95 HB3 CYS 14 1HB CYS 14 -5.631 5.697 -0.637
96 HG CYS 14 HG CYS 14 -4.630 2.613 0.066
97 H LEU 15 H LEU 15 -8.357 5.486 1.568
98 HA LEU 15 HA LEU 15 -9.010 3.333 3.376
99 HB2 LEU 15 2HB LEU 15 -11.435 4.365 2.514
100 HB3 LEU 15 1HB LEU 15 -10.587 4.766 3.986
101 HG LEU 15 HG LEU 15 -9.991 6.297 1.478
102 HD11 LEU 15 1HD1 LEU 15 -11.748 7.896 2.092
103 HD12 LEU 15 2HD1 LEU 15 -12.303 6.795 3.353
104 HD13 LEU 15 3HD1 LEU 15 -12.417 6.323 1.657
105 HD21 LEU 15 3HD2 LEU 15 -9.972 6.985 4.416
106 HD22 LEU 15 1HD2 LEU 15 -9.532 8.075 3.102
107 HD23 LEU 15 2HD2 LEU 15 -8.561 6.637 3.414
108 H CYS 16 H CYS 16 -8.480 1.557 2.151
109 HA CYS 16 HA CYS 16 -9.558 0.930 -0.373
110 HB2 CYS 16 2HB CYS 16 -7.592 -0.213 0.413
111 HB3 CYS 16 1HB CYS 16 -8.435 -0.782 1.842
112 HG CYS 16 HG CYS 16 -10.267 -2.071 -0.318
113 H GLU 17 H GLU 17 -10.238 -0.738 2.654
114 HA GLU 17 HA GLU 17 -12.869 -1.492 1.672
115 HB2 GLU 17 2HB GLU 17 -10.993 -2.858 3.042
116 HB3 GLU 17 1HB GLU 17 -11.935 -2.233 4.383
117 HG2 GLU 17 2HG GLU 17 -13.039 -3.865 2.104
118 HG3 GLU 17 1HG GLU 17 -12.592 -4.505 3.682
119 H GLY 18 H GLY 18 -14.751 -0.886 2.635
120 HA2 GLY 18 2HA GLY 18 -16.096 0.866 3.488
121 HA3 GLY 18 1HA GLY 18 -15.649 -0.058 4.909
122 H SER 19 H SER 19 -14.173 0.779 6.364
123 HA SER 19 HA SER 19 -13.364 3.574 5.894
124 HB2 SER 19 2HB SER 19 -13.478 3.794 8.404
125 HB3 SER 19 1HB SER 19 -15.036 3.602 7.603
126 HG SER 19 HG SER 19 -15.280 2.023 8.973
127 H ASN 20 H ASN 20 -12.240 0.508 6.125
128 HA ASN 20 HA ASN 20 -9.984 0.840 7.830
129 HB2 ASN 20 2HB ASN 20 -10.745 -1.202 5.764
130 HB3 ASN 20 1HB ASN 20 -9.164 -1.237 6.540
131 HD21 ASN 20 1HD2 ASN 20 -12.614 -1.410 7.082
132 HD22 ASN 20 2HD2 ASN 20 -12.515 -2.190 8.613
133 H VAL 21 H VAL 21 -8.646 2.383 7.402
134 HA VAL 21 HA VAL 21 -7.750 2.927 4.684
135 HB VAL 21 HB VAL 21 -6.767 4.252 7.219
136 HG11 VAL 21 1HG1 VAL 21 -6.166 6.085 5.704
137 HG12 VAL 21 2HG1 VAL 21 -6.706 5.111 4.336
138 HG13 VAL 21 3HG1 VAL 21 -5.330 4.583 5.304
139 HG21 VAL 21 3HG2 VAL 21 -9.198 4.499 7.072
140 HG22 VAL 21 1HG2 VAL 21 -9.029 5.133 5.436
141 HG23 VAL 21 2HG2 VAL 21 -8.373 6.035 6.802
142 H CYS 22 H CYS 22 -6.402 1.412 3.978
143 HA CYS 22 HA CYS 22 -4.750 -0.146 5.653
144 HB2 CYS 22 2HB CYS 22 -5.520 -0.145 2.899
145 HB3 CYS 22 1HB CYS 22 -3.763 -0.222 2.980
146 HG CYS 22 HG CYS 22 -6.042 -2.499 3.969
147 H GLY 23 H GLY 23 -2.435 -0.288 5.611
148 HA2 GLY 23 2HA GLY 23 -1.070 2.208 4.869
149 HA3 GLY 23 1HA GLY 23 -0.861 1.533 6.482
150 H GLN 24 H GLN 24 1.365 1.224 6.185
151 HA GLN 24 HA GLN 24 2.222 -0.307 3.875
152 HB2 GLN 24 2HB GLN 24 3.871 0.773 6.168
153 HB3 GLN 24 1HB GLN 24 4.480 0.162 4.633
154 HG2 GLN 24 2HG GLN 24 3.282 1.980 3.472
155 HG3 GLN 24 1HG GLN 24 2.786 2.620 5.035
156 HE21 GLN 24 1HE2 GLN 24 5.396 1.898 6.241
157 HE22 GLN 24 2HE2 GLN 24 6.511 3.089 5.651
158 H GLY 25 H GLY 25 3.153 -2.330 3.948
159 HA2 GLY 25 2HA GLY 25 3.556 -4.419 5.026
160 HA3 GLY 25 1HA GLY 25 2.584 -3.873 6.391
161 H ASN 26 H ASN 26 0.697 -2.742 4.266
162 HA ASN 26 HA ASN 26 -0.490 -5.269 3.343
163 HB2 ASN 26 2HB ASN 26 -1.894 -2.710 4.132
164 HB3 ASN 26 1HB ASN 26 -2.682 -4.094 3.379
165 HD21 ASN 26 1HD2 ASN 26 -1.360 -2.784 6.276
166 HD22 ASN 26 2HD2 ASN 26 -1.874 -4.052 7.337
167 H LYS 27 H LYS 27 -1.825 -4.972 1.359
168 HA LYS 27 HA LYS 27 -1.120 -2.705 -0.317
169 HB2 LYS 27 2HB LYS 27 0.705 -4.315 -0.691
170 HB3 LYS 27 1HB LYS 27 -0.470 -5.559 -1.092
171 HG2 LYS 27 2HG LYS 27 -1.027 -4.560 -3.117
172 HG3 LYS 27 1HG LYS 27 -0.354 -3.001 -2.638
173 HD2 LYS 27 2HD LYS 27 1.114 -4.031 -4.241
174 HD3 LYS 27 1HD LYS 27 1.904 -4.017 -2.662
175 HE2 LYS 27 2HE LYS 27 2.312 -6.152 -3.608
176 HE3 LYS 27 1HE LYS 27 1.087 -6.380 -2.361
177 HZ1 LYS 27 3HZ LYS 27 0.497 -7.611 -4.322
178 HZ2 LYS 27 1HZ LYS 27 0.613 -6.227 -5.295
179 HZ3 LYS 27 2HZ LYS 27 -0.604 -6.344 -4.128
180 H CYS 28 H CYS 28 -3.033 -2.078 -1.169
181 HA CYS 28 HA CYS 28 -5.216 -3.991 -1.289
182 HB2 CYS 28 2HB CYS 28 -5.812 -1.859 -0.350
183 HB3 CYS 28 1HB CYS 28 -5.092 -1.001 -1.708
184 HG CYS 28 HG CYS 28 -8.061 -2.643 -1.581
185 H ILE 29 H ILE 29 -6.101 -4.762 -3.115
186 HA ILE 29 HA ILE 29 -5.066 -3.773 -5.673
187 HB ILE 29 HB ILE 29 -5.351 -6.200 -6.474
188 HG12 ILE 29 2HG1 ILE 29 -5.069 -6.656 -3.502
189 HG13 ILE 29 1HG1 ILE 29 -6.522 -6.988 -4.442
190 HG21 ILE 29 1HG2 ILE 29 -3.196 -5.072 -6.276
191 HG22 ILE 29 2HG2 ILE 29 -3.066 -6.762 -5.793
192 HG23 ILE 29 3HG2 ILE 29 -3.122 -5.497 -4.566
193 HD11 ILE 29 3HD1 ILE 29 -5.288 -9.027 -4.007
194 HD12 ILE 29 1HD1 ILE 29 -3.848 -8.340 -4.759
195 HD13 ILE 29 2HD1 ILE 29 -5.283 -8.661 -5.732
196 H LEU 30 H LEU 30 -6.549 -3.283 -7.099
197 HA LEU 30 HA LEU 30 -9.338 -3.900 -6.469
198 HB2 LEU 30 2HB LEU 30 -8.157 -1.606 -8.040
199 HB3 LEU 30 1HB LEU 30 -9.874 -1.912 -7.878
200 HG LEU 30 HG LEU 30 -9.409 -1.730 -5.321
201 HD11 LEU 30 1HD1 LEU 30 -6.986 -1.693 -5.461
202 HD12 LEU 30 2HD1 LEU 30 -7.597 -0.190 -4.771
203 HD13 LEU 30 3HD1 LEU 30 -7.054 -0.233 -6.447
204 HD21 LEU 30 3HD2 LEU 30 -9.366 0.662 -7.151
205 HD22 LEU 30 1HD2 LEU 30 -9.783 0.689 -5.437
206 HD23 LEU 30 2HD2 LEU 30 -10.799 -0.193 -6.578
207 H GLY 31 H GLY 31 -9.870 -5.656 -7.605
208 HA2 GLY 31 2HA GLY 31 -10.757 -6.629 -9.507
209 HA3 GLY 31 1HA GLY 31 -9.972 -5.392 -10.448
210 H ARG 32 H ARG 32 -9.405 -8.317 -8.637
211 HA ARG 32 HA ARG 32 -7.295 -9.014 -10.541
212 HB2 ARG 32 2HB ARG 32 -6.529 -8.063 -8.196
213 HB3 ARG 32 1HB ARG 32 -6.925 -9.684 -7.648
214 HG2 ARG 32 2HG ARG 32 -4.551 -9.451 -8.179
215 HG3 ARG 32 1HG ARG 32 -5.341 -10.631 -9.228
216 HD2 ARG 32 2HD ARG 32 -3.767 -9.059 -10.394
217 HD3 ARG 32 1HD ARG 32 -5.407 -9.092 -11.044
218 HE ARG 32 HE ARG 32 -5.025 -7.044 -9.081
219 HH11 ARG 32 1HH1 ARG 32 -4.490 -7.830 -12.449
220 HH12 ARG 32 2HH1 ARG 32 -4.685 -6.190 -12.984
221 HH21 ARG 32 1HH2 ARG 32 -5.312 -4.877 -9.804
222 HH22 ARG 32 2HH2 ARG 32 -5.141 -4.519 -11.496
223 H GLY 33 H GLY 33 -9.395 -10.099 -11.212
224 HA2 GLY 33 2HA GLY 33 -10.204 -12.237 -11.669
225 HA3 GLY 33 1HA GLY 33 -9.276 -12.854 -10.306
226 H ASP 34 H ASP 34 -10.238 -13.146 -8.388
227 HA ASP 34 HA ASP 34 -13.113 -12.635 -8.235
228 HB2 ASP 34 2HB ASP 34 -11.277 -14.155 -6.366
229 HB3 ASP 34 1HB ASP 34 -13.026 -14.038 -6.199
230 H SER 35 H SER 35 -10.701 -10.746 -7.877
231 HA SER 35 HA SER 35 -11.469 -9.601 -5.278
232 HB2 SER 35 2HB SER 35 -9.022 -10.364 -5.816
233 HB3 SER 35 1HB SER 35 -8.961 -8.873 -6.764
234 HG SER 35 HG SER 35 -9.245 -9.235 -3.990
235 H LYS 36 H LYS 36 -12.038 -7.450 -5.197
236 HA LYS 36 HA LYS 36 -11.833 -5.902 -7.681
237 HB2 LYS 36 2HB LYS 36 -14.272 -6.177 -5.931
238 HB3 LYS 36 1HB LYS 36 -14.053 -4.822 -7.030
239 HG2 LYS 36 2HG LYS 36 -15.292 -6.236 -8.338
240 HG3 LYS 36 1HG LYS 36 -13.654 -6.708 -8.796
241 HD2 LYS 36 2HD LYS 36 -13.841 -8.491 -6.984
242 HD3 LYS 36 1HD LYS 36 -15.572 -8.139 -6.978
243 HE2 LYS 36 2HE LYS 36 -13.925 -9.062 -9.334
244 HE3 LYS 36 1HE LYS 36 -15.101 -10.022 -8.439
245 HZ1 LYS 36 3HZ LYS 36 -15.877 -9.054 -10.602
246 HZ2 LYS 36 1HZ LYS 36 -15.821 -7.528 -9.871
247 HZ3 LYS 36 2HZ LYS 36 -16.867 -8.718 -9.262
248 H ASN 37 H ASN 37 -12.171 -5.901 -4.193
249 HA ASN 37 HA ASN 37 -10.287 -3.735 -3.984
250 HB2 ASN 37 2HB ASN 37 -12.433 -2.516 -4.147
251 HB3 ASN 37 1HB ASN 37 -13.076 -3.469 -2.812
252 HD21 ASN 37 1HD2 ASN 37 -10.894 -0.956 -3.747
253 HD22 ASN 37 2HD2 ASN 37 -10.590 -0.358 -2.160
254 H GLN 38 H GLN 38 -8.910 -5.106 -2.834
255 HA GLN 38 HA GLN 38 -9.882 -5.878 -0.187
256 HB2 GLN 38 2HB GLN 38 -10.056 -7.723 -2.040
257 HB3 GLN 38 1HB GLN 38 -8.340 -7.906 -1.747
258 HG2 GLN 38 2HG GLN 38 -10.354 -8.024 0.469
259 HG3 GLN 38 1HG GLN 38 -9.950 -9.438 -0.497
260 HE21 GLN 38 1HE2 GLN 38 -7.173 -8.788 -0.803
261 HE22 GLN 38 2HE2 GLN 38 -6.435 -9.041 0.743
262 H CYS 39 H CYS 39 -8.399 -5.766 1.375
263 HA CYS 39 HA CYS 39 -5.767 -4.743 0.720
264 HB2 CYS 39 2HB CYS 39 -7.216 -5.128 3.329
265 HB3 CYS 39 1HB CYS 39 -5.570 -4.533 3.223
266 HG CYS 39 HG CYS 39 -7.566 -2.771 1.274
267 H VAL 40 H VAL 40 -4.573 -6.467 -0.052
268 HA VAL 40 HA VAL 40 -4.392 -8.891 1.548
269 HB VAL 40 HB VAL 40 -4.464 -8.747 -1.040
270 HG11 VAL 40 1HG1 VAL 40 -1.526 -8.249 -0.597
271 HG12 VAL 40 2HG1 VAL 40 -2.676 -7.134 -1.337
272 HG13 VAL 40 3HG1 VAL 40 -2.282 -8.656 -2.137
273 HG21 VAL 40 3HG2 VAL 40 -3.088 -10.791 -1.234
274 HG22 VAL 40 1HG2 VAL 40 -4.183 -10.827 0.148
275 HG23 VAL 40 2HG2 VAL 40 -2.468 -10.498 0.391
276 H THR 41 H THR 41 -2.219 -9.724 2.128
277 HA THR 41 HA THR 41 -0.771 -7.569 3.412
278 HB THR 41 HB THR 41 0.457 -9.498 4.522
279 HG1 THR 41 HG1 THR 41 -0.261 -11.531 4.161
280 HG21 THR 41 3HG2 THR 41 -1.413 -9.987 6.034
281 HG22 THR 41 1HG2 THR 41 -2.543 -9.329 4.852
282 HG23 THR 41 2HG2 THR 41 -1.357 -8.274 5.620
283 H GLY 42 H GLY 42 1.161 -6.883 2.891
284 HA2 GLY 42 2HA GLY 42 3.297 -8.264 1.827
285 HA3 GLY 42 1HA GLY 42 2.400 -7.651 0.443
286 H GLU 43 H GLU 43 3.525 -5.939 -0.304
287 HA GLU 43 HA GLU 43 3.663 -3.685 1.533
288 HB2 GLU 43 2HB GLU 43 5.915 -3.037 0.588
289 HB3 GLU 43 1HB GLU 43 5.903 -4.391 1.704
290 HG2 GLU 43 2HG GLU 43 6.006 -5.936 -0.195
291 HG3 GLU 43 1HG GLU 43 6.078 -4.553 -1.291
292 H GLY 44 H GLY 44 2.480 -2.189 0.675
293 HA2 GLY 44 2HA GLY 44 2.032 -2.176 -2.199
294 HA3 GLY 44 1HA GLY 44 1.074 -1.333 -0.995
295 H THR 45 H THR 45 1.127 0.607 -2.022
296 HA THR 45 HA THR 45 3.635 2.089 -1.814
297 HB THR 45 HB THR 45 2.248 2.927 -4.183
298 HG1 THR 45 HG1 THR 45 1.930 0.389 -3.879
299 HG21 THR 45 3HG2 THR 45 4.962 1.649 -3.824
300 HG22 THR 45 1HG2 THR 45 4.607 3.370 -3.677
301 HG23 THR 45 2HG2 THR 45 4.425 2.563 -5.233
302 HA PRO 46 HA PRO 46 0.923 5.221 -0.120
303 HB2 PRO 46 2HB PRO 46 2.812 7.075 -1.489
304 HB3 PRO 46 1HB PRO 46 2.276 7.063 0.196
305 HG2 PRO 46 2HG PRO 46 4.716 6.220 -0.460
306 HG3 PRO 46 1HG PRO 46 3.773 5.400 0.799
307 HD2 PRO 46 2HD PRO 46 4.307 4.562 -2.020
308 HD3 PRO 46 1HD PRO 46 4.179 3.572 -0.551
309 H LYS 47 H LYS 47 -0.823 6.335 -0.939
310 HA LYS 47 HA LYS 47 -1.252 5.967 -3.754
311 HB2 LYS 47 2HB LYS 47 -2.951 5.362 -2.034
312 HB3 LYS 47 1HB LYS 47 -3.104 7.072 -1.638
313 HG2 LYS 47 2HG LYS 47 -3.551 7.312 -4.186
314 HG3 LYS 47 1HG LYS 47 -3.942 5.604 -4.069
315 HD2 LYS 47 2HD LYS 47 -5.768 5.969 -2.720
316 HD3 LYS 47 1HD LYS 47 -5.149 7.516 -2.128
317 HE2 LYS 47 2HE LYS 47 -5.832 7.149 -5.000
318 HE3 LYS 47 1HE LYS 47 -7.105 7.504 -3.830
319 HZ1 LYS 47 3HZ LYS 47 -4.692 9.170 -4.348
320 HZ2 LYS 47 1HZ LYS 47 -5.904 9.512 -3.213
321 HZ3 LYS 47 2HZ LYS 47 -6.269 9.521 -4.869
322 HA PRO 48 HA PRO 48 -0.031 10.116 -4.766
323 HB2 PRO 48 2HB PRO 48 -1.609 9.506 -7.201
324 HB3 PRO 48 1HB PRO 48 0.060 10.065 -7.048
325 HG2 PRO 48 2HG PRO 48 -0.474 7.540 -7.720
326 HG3 PRO 48 1HG PRO 48 0.878 7.935 -6.641
327 HD2 PRO 48 2HD PRO 48 -1.829 6.845 -5.966
328 HD3 PRO 48 1HD PRO 48 -0.244 6.430 -5.280
329 H GLN 49 H GLN 49 -0.942 12.021 -4.636
330 HA GLN 49 HA GLN 49 -3.679 12.543 -5.235
331 HB2 GLN 49 2HB GLN 49 -4.032 13.497 -2.836
332 HB3 GLN 49 1HB GLN 49 -4.285 11.782 -3.128
333 HG2 GLN 49 2HG GLN 49 -2.183 11.233 -2.188
334 HG3 GLN 49 1HG GLN 49 -1.709 12.924 -2.093
335 HE21 GLN 49 1HE2 GLN 49 -3.588 10.390 -0.667
336 HE22 GLN 49 2HE2 GLN 49 -3.977 11.224 0.798
337 H SER 50 H SER 50 -1.343 13.939 -2.970
338 HA SER 50 HA SER 50 -1.228 16.332 -4.665
339 HB2 SER 50 2HB SER 50 -2.125 16.447 -2.239
340 HB3 SER 50 1HB SER 50 -0.444 16.230 -1.753
341 HG SER 50 HG SER 50 -1.295 18.253 -3.557
342 H HIS 51 H HIS 51 0.348 14.714 -5.798
343 HA HIS 51 HA HIS 51 2.952 14.499 -4.544
344 HB2 HIS 51 2HB HIS 51 1.840 13.675 -7.179
345 HB3 HIS 51 1HB HIS 51 3.575 13.752 -6.961
346 HD1 HIS 51 HD1 HIS 51 2.887 12.677 -3.794
347 HD2 HIS 51 HD2 HIS 51 2.390 10.831 -7.491
348 HE1 HIS 51 HE1 HIS 51 2.935 10.208 -3.336
349 HE2 HIS 51 HE2 HIS 51 2.910 9.131 -5.614
Start of MODEL 11
1 H1 VAL 1 1H VAL 1 -3.331 16.707 4.096
2 H2 VAL 1 2H VAL 1 -2.296 16.199 5.338
3 H3 VAL 1 3H VAL 1 -3.972 16.233 5.592
4 HA VAL 1 HA VAL 1 -2.571 14.483 3.666
5 HB VAL 1 HB VAL 1 -3.904 13.799 6.267
6 HG11 VAL 1 1HG1 VAL 1 -4.265 12.053 4.626
7 HG12 VAL 1 2HG1 VAL 1 -3.109 11.508 5.840
8 HG13 VAL 1 3HG1 VAL 1 -2.543 12.023 4.251
9 HG21 VAL 1 3HG2 VAL 1 -1.726 14.832 6.608
10 HG22 VAL 1 1HG2 VAL 1 -0.998 13.680 5.488
11 HG23 VAL 1 2HG2 VAL 1 -1.675 13.115 7.017
12 H VAL 2 H VAL 2 -3.849 13.695 2.099
13 HA VAL 2 HA VAL 2 -6.766 13.898 2.476
14 HB VAL 2 HB VAL 2 -5.322 14.366 -0.143
15 HG11 VAL 2 1HG1 VAL 2 -7.578 13.461 -0.387
16 HG12 VAL 2 2HG1 VAL 2 -7.502 15.134 -0.939
17 HG13 VAL 2 3HG1 VAL 2 -8.214 14.755 0.630
18 HG21 VAL 2 3HG2 VAL 2 -4.831 16.205 1.341
19 HG22 VAL 2 1HG2 VAL 2 -6.538 16.364 1.762
20 HG23 VAL 2 2HG2 VAL 2 -5.995 16.730 0.124
21 H TYR 3 H TYR 3 -6.719 11.661 3.116
22 HA TYR 3 HA TYR 3 -5.939 9.769 1.046
23 HB2 TYR 3 2HB TYR 3 -7.070 9.327 3.809
24 HB3 TYR 3 1HB TYR 3 -6.780 8.032 2.666
25 HD1 TYR 3 HD2 TYR 3 -4.157 9.489 1.604
26 HD2 TYR 3 HD1 TYR 3 -5.568 8.281 5.433
27 HE1 TYR 3 HE2 TYR 3 -1.836 9.276 2.385
28 HE2 TYR 3 HE1 TYR 3 -3.249 8.063 6.220
29 HH TYR 3 HH TYR 3 -1.000 7.721 5.284
30 H THR 4 H THR 4 -7.398 8.179 0.298
31 HA THR 4 HA THR 4 -10.230 8.752 0.387
32 HB THR 4 HB THR 4 -9.824 8.508 -2.346
33 HG1 THR 4 HG1 THR 4 -8.113 10.609 -1.558
34 HG21 THR 4 3HG2 THR 4 -11.490 9.926 -1.258
35 HG22 THR 4 1HG2 THR 4 -10.571 10.842 -2.452
36 HG23 THR 4 2HG2 THR 4 -10.221 11.031 -0.735
37 H ASP 5 H ASP 5 -10.786 7.180 -1.964
38 HA ASP 5 HA ASP 5 -10.278 4.549 -0.834
39 HB2 ASP 5 2HB ASP 5 -11.610 4.934 -3.498
40 HB3 ASP 5 1HB ASP 5 -12.006 3.806 -2.208
41 H CYS 6 H CYS 6 -9.113 2.910 -1.974
42 HA CYS 6 HA CYS 6 -6.806 3.769 -3.293
43 HB2 CYS 6 2HB CYS 6 -7.957 1.009 -3.613
44 HB3 CYS 6 1HB CYS 6 -6.268 1.503 -3.644
45 HG CYS 6 HG CYS 6 -6.984 -0.009 -1.305
46 H THR 7 H THR 7 -6.324 4.174 -5.324
47 HA THR 7 HA THR 7 -8.489 3.995 -7.294
48 HB THR 7 HB THR 7 -5.966 5.638 -7.471
49 HG1 THR 7 HG1 THR 7 -8.539 6.433 -6.486
50 HG21 THR 7 3HG2 THR 7 -7.274 6.991 -9.056
51 HG22 THR 7 1HG2 THR 7 -8.642 5.893 -8.861
52 HG23 THR 7 2HG2 THR 7 -7.144 5.317 -9.595
53 H GLU 8 H GLU 8 -5.288 2.915 -6.560
54 HA GLU 8 HA GLU 8 -5.150 1.549 -9.152
55 HB2 GLU 8 2HB GLU 8 -3.428 3.592 -8.198
56 HB3 GLU 8 1HB GLU 8 -2.522 2.089 -8.166
57 HG2 GLU 8 2HG GLU 8 -4.023 3.078 -10.573
58 HG3 GLU 8 1HG GLU 8 -2.312 3.389 -10.276
59 H SER 9 H SER 9 -3.777 -0.339 -9.133
60 HA SER 9 HA SER 9 -4.164 -1.838 -6.679
61 HB2 SER 9 2HB SER 9 -3.073 -2.703 -9.375
62 HB3 SER 9 1HB SER 9 -3.503 -3.779 -8.043
63 HG SER 9 HG SER 9 -5.076 -3.118 -9.935
64 H GLY 10 H GLY 10 -2.610 -1.994 -5.194
65 HA2 GLY 10 2HA GLY 10 -0.258 -2.621 -4.788
66 HA3 GLY 10 1HA GLY 10 0.176 -1.491 -6.061
67 H GLN 11 H GLN 11 -2.263 0.014 -4.625
68 HA GLN 11 HA GLN 11 -0.509 1.555 -2.880
69 HB2 GLN 11 2HB GLN 11 -3.123 2.002 -4.181
70 HB3 GLN 11 1HB GLN 11 -2.949 2.728 -2.582
71 HG2 GLN 11 2HG GLN 11 -1.920 4.407 -3.555
72 HG3 GLN 11 1HG GLN 11 -0.576 3.324 -3.886
73 HE21 GLN 11 1HE2 GLN 11 -3.343 4.945 -5.173
74 HE22 GLN 11 2HE2 GLN 11 -2.964 4.683 -6.837
75 H ASN 12 H ASN 12 -1.294 2.164 -0.682
76 HA ASN 12 HA ASN 12 -2.955 0.084 0.518
77 HB2 ASN 12 2HB ASN 12 -1.355 0.105 2.516
78 HB3 ASN 12 1HB ASN 12 -0.930 -0.852 1.109
79 HD21 ASN 12 1HD2 ASN 12 1.190 -0.835 1.891
80 HD22 ASN 12 2HD2 ASN 12 2.225 0.523 1.630
81 H LEU 13 H LEU 13 -1.153 3.011 1.361
82 HA LEU 13 HA LEU 13 -2.751 3.794 3.523
83 HB2 LEU 13 2HB LEU 13 -0.953 5.389 1.710
84 HB3 LEU 13 1HB LEU 13 -1.744 6.078 3.116
85 HG LEU 13 HG LEU 13 0.178 3.753 3.205
86 HD11 LEU 13 1HD1 LEU 13 1.756 5.357 4.172
87 HD12 LEU 13 2HD1 LEU 13 0.604 6.661 3.882
88 HD13 LEU 13 3HD1 LEU 13 1.315 5.792 2.520
89 HD21 LEU 13 3HD2 LEU 13 -1.409 3.724 5.040
90 HD22 LEU 13 1HD2 LEU 13 -1.073 5.420 5.386
91 HD23 LEU 13 2HD2 LEU 13 0.183 4.206 5.624
92 H CYS 14 H CYS 14 -4.708 3.161 2.233
93 HA CYS 14 HA CYS 14 -6.189 5.593 1.720
94 HB2 CYS 14 2HB CYS 14 -7.158 4.214 -0.384
95 HB3 CYS 14 1HB CYS 14 -5.880 5.410 -0.530
96 HG CYS 14 HG CYS 14 -5.501 2.013 -0.442
97 H LEU 15 H LEU 15 -8.559 5.107 1.608
98 HA LEU 15 HA LEU 15 -9.190 3.032 3.518
99 HB2 LEU 15 2HB LEU 15 -11.573 4.103 2.389
100 HB3 LEU 15 1HB LEU 15 -10.928 4.334 3.993
101 HG LEU 15 HG LEU 15 -10.009 6.064 1.712
102 HD11 LEU 15 1HD1 LEU 15 -12.398 6.491 3.501
103 HD12 LEU 15 2HD1 LEU 15 -12.428 6.238 1.756
104 HD13 LEU 15 3HD1 LEU 15 -11.703 7.701 2.425
105 HD21 LEU 15 3HD2 LEU 15 -10.120 6.435 4.701
106 HD22 LEU 15 1HD2 LEU 15 -9.580 7.649 3.545
107 HD23 LEU 15 2HD2 LEU 15 -8.676 6.148 3.731
108 H CYS 16 H CYS 16 -8.525 1.259 2.273
109 HA CYS 16 HA CYS 16 -9.637 0.560 -0.226
110 HB2 CYS 16 2HB CYS 16 -7.525 -0.382 0.512
111 HB3 CYS 16 1HB CYS 16 -8.304 -1.108 1.910
112 HG CYS 16 HG CYS 16 -9.997 -2.387 -0.417
113 H GLU 17 H GLU 17 -10.025 -1.423 2.671
114 HA GLU 17 HA GLU 17 -12.624 -2.289 1.870
115 HB2 GLU 17 2HB GLU 17 -10.975 -3.654 3.193
116 HB3 GLU 17 1HB GLU 17 -11.288 -2.601 4.557
117 HG2 GLU 17 2HG GLU 17 -12.527 -4.684 4.731
118 HG3 GLU 17 1HG GLU 17 -13.605 -3.295 4.608
119 H GLY 18 H GLY 18 -14.535 -2.014 3.188
120 HA2 GLY 18 2HA GLY 18 -15.959 0.014 3.318
121 HA3 GLY 18 1HA GLY 18 -15.768 -0.760 4.876
122 H SER 19 H SER 19 -14.155 0.136 6.339
123 HA SER 19 HA SER 19 -13.507 2.952 5.740
124 HB2 SER 19 2HB SER 19 -13.759 3.264 8.278
125 HB3 SER 19 1HB SER 19 -15.244 3.091 7.342
126 HG SER 19 HG SER 19 -14.934 1.779 9.366
127 H ASN 20 H ASN 20 -12.056 0.218 5.736
128 HA ASN 20 HA ASN 20 -10.031 0.603 7.775
129 HB2 ASN 20 2HB ASN 20 -10.327 -1.445 5.578
130 HB3 ASN 20 1HB ASN 20 -8.963 -1.405 6.685
131 HD21 ASN 20 1HD2 ASN 20 -12.140 -0.528 7.755
132 HD22 ASN 20 2HD2 ASN 20 -12.442 -1.947 8.687
133 H VAL 21 H VAL 21 -8.588 2.139 7.467
134 HA VAL 21 HA VAL 21 -7.612 2.782 4.805
135 HB VAL 21 HB VAL 21 -6.620 3.892 7.444
136 HG11 VAL 21 1HG1 VAL 21 -5.899 5.791 6.082
137 HG12 VAL 21 2HG1 VAL 21 -6.515 4.989 4.636
138 HG13 VAL 21 3HG1 VAL 21 -5.164 4.285 5.526
139 HG21 VAL 21 3HG2 VAL 21 -8.157 5.789 7.066
140 HG22 VAL 21 1HG2 VAL 21 -9.007 4.270 7.352
141 HG23 VAL 21 2HG2 VAL 21 -8.871 4.907 5.716
142 H CYS 22 H CYS 22 -6.240 1.298 4.033
143 HA CYS 22 HA CYS 22 -4.650 -0.310 5.778
144 HB2 CYS 22 2HB CYS 22 -5.433 -0.378 2.991
145 HB3 CYS 22 1HB CYS 22 -3.707 -0.683 3.169
146 HG CYS 22 HG CYS 22 -6.285 -2.637 3.947
147 H GLY 23 H GLY 23 -2.298 -0.600 5.425
148 HA2 GLY 23 2HA GLY 23 -0.874 1.759 4.496
149 HA3 GLY 23 1HA GLY 23 -0.739 1.393 6.210
150 H GLN 24 H GLN 24 1.302 0.670 6.438
151 HA GLN 24 HA GLN 24 2.518 -0.875 4.312
152 HB2 GLN 24 2HB GLN 24 3.517 0.491 6.783
153 HB3 GLN 24 1HB GLN 24 4.499 -0.770 6.053
154 HG2 GLN 24 2HG GLN 24 5.225 1.395 5.276
155 HG3 GLN 24 1HG GLN 24 4.521 0.484 3.943
156 HE21 GLN 24 1HE2 GLN 24 4.167 2.361 2.771
157 HE22 GLN 24 2HE2 GLN 24 2.891 3.458 3.168
158 H GLY 25 H GLY 25 2.773 -2.981 4.319
159 HA2 GLY 25 2HA GLY 25 3.133 -5.073 5.533
160 HA3 GLY 25 1HA GLY 25 1.999 -4.479 6.746
161 H ASN 26 H ASN 26 0.438 -3.283 4.458
162 HA ASN 26 HA ASN 26 -0.652 -5.754 3.292
163 HB2 ASN 26 2HB ASN 26 -2.184 -3.295 4.174
164 HB3 ASN 26 1HB ASN 26 -2.879 -4.619 3.247
165 HD21 ASN 26 1HD2 ASN 26 -3.564 -3.580 5.886
166 HD22 ASN 26 2HD2 ASN 26 -3.427 -4.914 6.984
167 H LYS 27 H LYS 27 -1.691 -5.437 1.201
168 HA LYS 27 HA LYS 27 -0.978 -2.976 -0.193
169 HB2 LYS 27 2HB LYS 27 0.871 -4.472 -0.681
170 HB3 LYS 27 1HB LYS 27 -0.240 -5.749 -1.149
171 HG2 LYS 27 2HG LYS 27 -0.724 -4.783 -3.169
172 HG3 LYS 27 1HG LYS 27 -0.351 -3.154 -2.602
173 HD2 LYS 27 2HD LYS 27 1.352 -3.870 -4.157
174 HD3 LYS 27 1HD LYS 27 2.042 -3.755 -2.538
175 HE2 LYS 27 2HE LYS 27 2.891 -5.745 -3.496
176 HE3 LYS 27 1HE LYS 27 1.666 -6.238 -2.328
177 HZ1 LYS 27 3HZ LYS 27 1.537 -7.446 -4.449
178 HZ2 LYS 27 1HZ LYS 27 1.202 -5.991 -5.253
179 HZ3 LYS 27 2HZ LYS 27 0.110 -6.601 -4.109
180 H CYS 28 H CYS 28 -2.793 -2.245 -1.125
181 HA CYS 28 HA CYS 28 -5.007 -4.098 -1.497
182 HB2 CYS 28 2HB CYS 28 -5.572 -2.066 -0.337
183 HB3 CYS 28 1HB CYS 28 -4.854 -1.085 -1.608
184 HG CYS 28 HG CYS 28 -7.794 -2.798 -1.683
185 H ILE 29 H ILE 29 -5.803 -4.691 -3.405
186 HA ILE 29 HA ILE 29 -4.831 -3.343 -5.810
187 HB ILE 29 HB ILE 29 -4.801 -5.590 -6.948
188 HG12 ILE 29 2HG1 ILE 29 -4.721 -6.622 -4.112
189 HG13 ILE 29 1HG1 ILE 29 -6.122 -6.749 -5.171
190 HG21 ILE 29 1HG2 ILE 29 -2.564 -6.157 -6.201
191 HG22 ILE 29 2HG2 ILE 29 -2.798 -5.228 -4.722
192 HG23 ILE 29 3HG2 ILE 29 -2.749 -4.403 -6.279
193 HD11 ILE 29 3HD1 ILE 29 -4.808 -8.106 -6.722
194 HD12 ILE 29 1HD1 ILE 29 -4.890 -8.827 -5.114
195 HD13 ILE 29 2HD1 ILE 29 -3.425 -7.993 -5.634
196 H LEU 30 H LEU 30 -6.268 -3.212 -7.440
197 HA LEU 30 HA LEU 30 -9.028 -3.881 -6.823
198 HB2 LEU 30 2HB LEU 30 -7.832 -2.076 -8.933
199 HB3 LEU 30 1HB LEU 30 -9.545 -2.413 -8.791
200 HG LEU 30 HG LEU 30 -9.318 -1.477 -6.395
201 HD11 LEU 30 1HD1 LEU 30 -6.903 -1.435 -6.278
202 HD12 LEU 30 2HD1 LEU 30 -7.564 0.191 -6.112
203 HD13 LEU 30 3HD1 LEU 30 -6.839 -0.314 -7.638
204 HD21 LEU 30 3HD2 LEU 30 -9.059 0.330 -8.793
205 HD22 LEU 30 1HD2 LEU 30 -9.662 0.806 -7.206
206 HD23 LEU 30 2HD2 LEU 30 -10.555 -0.371 -8.171
207 H GLY 31 H GLY 31 -9.338 -5.980 -7.369
208 HA2 GLY 31 2HA GLY 31 -8.180 -6.927 -9.886
209 HA3 GLY 31 1HA GLY 31 -8.750 -7.941 -8.569
210 H ARG 32 H ARG 32 -10.566 -8.960 -8.936
211 HA ARG 32 HA ARG 32 -12.677 -7.762 -10.525
212 HB2 ARG 32 2HB ARG 32 -11.178 -10.220 -11.430
213 HB3 ARG 32 1HB ARG 32 -12.795 -9.833 -11.996
214 HG2 ARG 32 2HG ARG 32 -10.337 -8.137 -12.367
215 HG3 ARG 32 1HG ARG 32 -11.116 -9.132 -13.598
216 HD2 ARG 32 2HD ARG 32 -12.381 -6.795 -12.171
217 HD3 ARG 32 1HD ARG 32 -11.719 -6.757 -13.804
218 HE ARG 32 HE ARG 32 -13.508 -8.720 -14.029
219 HH11 ARG 32 1HH1 ARG 32 -13.804 -5.582 -12.476
220 HH12 ARG 32 2HH1 ARG 32 -15.478 -5.389 -12.912
221 HH21 ARG 32 1HH2 ARG 32 -15.716 -8.468 -14.585
222 HH22 ARG 32 2HH2 ARG 32 -16.564 -7.033 -14.084
223 H GLY 33 H GLY 33 -14.504 -9.505 -10.784
224 HA2 GLY 33 2HA GLY 33 -16.087 -10.753 -9.687
225 HA3 GLY 33 1HA GLY 33 -14.754 -11.538 -8.846
226 H ASP 34 H ASP 34 -15.321 -11.516 -6.754
227 HA ASP 34 HA ASP 34 -16.469 -9.101 -5.597
228 HB2 ASP 34 2HB ASP 34 -16.913 -10.379 -3.652
229 HB3 ASP 34 1HB ASP 34 -17.219 -11.473 -4.995
230 H SER 35 H SER 35 -13.476 -10.110 -6.393
231 HA SER 35 HA SER 35 -12.152 -8.887 -4.072
232 HB2 SER 35 2HB SER 35 -11.514 -11.232 -4.914
233 HB3 SER 35 1HB SER 35 -10.812 -10.418 -6.305
234 HG SER 35 HG SER 35 -9.196 -9.740 -5.121
235 H LYS 36 H LYS 36 -13.426 -7.100 -5.641
236 HA LYS 36 HA LYS 36 -11.694 -6.133 -7.733
237 HB2 LYS 36 2HB LYS 36 -13.396 -4.206 -7.774
238 HB3 LYS 36 1HB LYS 36 -13.937 -5.800 -8.266
239 HG2 LYS 36 2HG LYS 36 -15.644 -4.796 -6.940
240 HG3 LYS 36 1HG LYS 36 -14.931 -6.099 -5.999
241 HD2 LYS 36 2HD LYS 36 -13.578 -4.444 -4.772
242 HD3 LYS 36 1HD LYS 36 -14.335 -3.152 -5.705
243 HE2 LYS 36 2HE LYS 36 -15.840 -5.094 -3.961
244 HE3 LYS 36 1HE LYS 36 -15.315 -3.495 -3.440
245 HZ1 LYS 36 3HZ LYS 36 -17.087 -3.970 -5.775
246 HZ2 LYS 36 1HZ LYS 36 -16.706 -2.479 -5.059
247 HZ3 LYS 36 2HZ LYS 36 -17.655 -3.608 -4.219
248 H ASN 37 H ASN 37 -11.927 -5.690 -4.414
249 HA ASN 37 HA ASN 37 -9.836 -3.730 -4.393
250 HB2 ASN 37 2HB ASN 37 -11.776 -2.261 -4.522
251 HB3 ASN 37 1HB ASN 37 -12.565 -3.136 -3.213
252 HD21 ASN 37 1HD2 ASN 37 -10.024 -0.914 -4.049
253 HD22 ASN 37 2HD2 ASN 37 -9.743 -0.346 -2.450
254 H GLN 38 H GLN 38 -8.556 -5.199 -3.263
255 HA GLN 38 HA GLN 38 -9.626 -6.075 -0.663
256 HB2 GLN 38 2HB GLN 38 -9.772 -7.774 -2.613
257 HB3 GLN 38 1HB GLN 38 -8.043 -7.954 -2.385
258 HG2 GLN 38 2HG GLN 38 -9.969 -8.292 -0.117
259 HG3 GLN 38 1HG GLN 38 -9.618 -9.608 -1.233
260 HE21 GLN 38 1HE2 GLN 38 -9.102 -9.288 1.644
261 HE22 GLN 38 2HE2 GLN 38 -7.399 -9.539 1.830
262 H CYS 39 H CYS 39 -8.243 -6.052 0.985
263 HA CYS 39 HA CYS 39 -5.555 -5.052 0.544
264 HB2 CYS 39 2HB CYS 39 -7.156 -5.554 3.039
265 HB3 CYS 39 1HB CYS 39 -5.493 -4.999 3.060
266 HG CYS 39 HG CYS 39 -7.843 -3.225 1.363
267 H VAL 40 H VAL 40 -4.366 -6.758 -0.266
268 HA VAL 40 HA VAL 40 -4.281 -9.263 1.212
269 HB VAL 40 HB VAL 40 -4.194 -8.969 -1.354
270 HG11 VAL 40 1HG1 VAL 40 -1.928 -8.815 -2.296
271 HG12 VAL 40 2HG1 VAL 40 -1.310 -8.421 -0.692
272 HG13 VAL 40 3HG1 VAL 40 -2.442 -7.330 -1.494
273 HG21 VAL 40 3HG2 VAL 40 -2.223 -10.774 0.043
274 HG22 VAL 40 1HG2 VAL 40 -2.810 -10.982 -1.608
275 HG23 VAL 40 2HG2 VAL 40 -3.929 -11.111 -0.251
276 H THR 41 H THR 41 -2.012 -10.128 1.733
277 HA THR 41 HA THR 41 -0.731 -8.075 3.334
278 HB THR 41 HB THR 41 0.564 -10.017 4.284
279 HG1 THR 41 HG1 THR 41 0.212 -11.375 2.371
280 HG21 THR 41 3HG2 THR 41 -1.456 -9.174 5.376
281 HG22 THR 41 1HG2 THR 41 -1.338 -10.926 5.543
282 HG23 THR 41 2HG2 THR 41 -2.451 -10.225 4.369
283 H GLY 42 H GLY 42 1.093 -7.136 2.888
284 HA2 GLY 42 2HA GLY 42 3.373 -8.179 1.751
285 HA3 GLY 42 1HA GLY 42 2.426 -7.550 0.406
286 H GLU 43 H GLU 43 3.530 -5.743 -0.146
287 HA GLU 43 HA GLU 43 3.464 -3.586 1.820
288 HB2 GLU 43 2HB GLU 43 5.902 -4.292 0.181
289 HB3 GLU 43 1HB GLU 43 5.704 -2.790 1.069
290 HG2 GLU 43 2HG GLU 43 5.438 -4.187 3.145
291 HG3 GLU 43 1HG GLU 43 5.943 -5.569 2.174
292 H GLY 44 H GLY 44 2.129 -2.180 0.911
293 HA2 GLY 44 2HA GLY 44 2.049 -1.929 -1.988
294 HA3 GLY 44 1HA GLY 44 0.902 -1.243 -0.851
295 H THR 45 H THR 45 0.985 0.785 -1.749
296 HA THR 45 HA THR 45 3.356 2.352 -1.081
297 HB THR 45 HB THR 45 2.325 3.303 -3.581
298 HG1 THR 45 HG1 THR 45 1.891 0.851 -3.615
299 HG21 THR 45 3HG2 THR 45 4.547 3.800 -2.746
300 HG22 THR 45 1HG2 THR 45 4.675 2.964 -4.295
301 HG23 THR 45 2HG2 THR 45 4.979 2.090 -2.793
302 HA PRO 46 HA PRO 46 0.312 5.254 0.404
303 HB2 PRO 46 2HB PRO 46 2.174 7.305 -0.689
304 HB3 PRO 46 1HB PRO 46 1.484 7.164 0.933
305 HG2 PRO 46 2HG PRO 46 4.027 6.527 0.488
306 HG3 PRO 46 1HG PRO 46 3.030 5.562 1.594
307 HD2 PRO 46 2HD PRO 46 3.882 4.962 -1.208
308 HD3 PRO 46 1HD PRO 46 3.719 3.868 0.179
309 H LYS 47 H LYS 47 -1.411 6.299 -0.485
310 HA LYS 47 HA LYS 47 -1.632 6.209 -3.360
311 HB2 LYS 47 2HB LYS 47 -3.372 5.331 -1.771
312 HB3 LYS 47 1HB LYS 47 -3.664 6.989 -1.259
313 HG2 LYS 47 2HG LYS 47 -3.969 7.337 -3.854
314 HG3 LYS 47 1HG LYS 47 -4.352 5.625 -3.779
315 HD2 LYS 47 2HD LYS 47 -6.230 5.951 -2.506
316 HD3 LYS 47 1HD LYS 47 -5.628 7.466 -1.828
317 HE2 LYS 47 2HE LYS 47 -6.184 7.268 -4.741
318 HE3 LYS 47 1HE LYS 47 -7.534 7.478 -3.627
319 HZ1 LYS 47 3HZ LYS 47 -5.170 9.288 -3.685
320 HZ2 LYS 47 1HZ LYS 47 -6.646 9.533 -2.889
321 HZ3 LYS 47 2HZ LYS 47 -6.580 9.576 -4.577
322 HA PRO 48 HA PRO 48 -0.772 10.503 -4.170
323 HB2 PRO 48 2HB PRO 48 -3.096 10.139 -6.011
324 HB3 PRO 48 1HB PRO 48 -1.509 10.846 -6.329
325 HG2 PRO 48 2HG PRO 48 -2.081 8.390 -7.161
326 HG3 PRO 48 1HG PRO 48 -0.476 8.779 -6.513
327 HD2 PRO 48 2HD PRO 48 -2.710 7.266 -5.262
328 HD3 PRO 48 1HD PRO 48 -0.959 7.058 -5.075
329 H GLN 49 H GLN 49 -1.469 12.390 -3.501
330 HA GLN 49 HA GLN 49 -4.254 12.909 -2.889
331 HB2 GLN 49 2HB GLN 49 -3.523 13.815 -0.625
332 HB3 GLN 49 1HB GLN 49 -3.609 12.071 -0.816
333 HG2 GLN 49 2HG GLN 49 -1.301 11.848 -0.957
334 HG3 GLN 49 1HG GLN 49 -1.055 13.574 -1.181
335 HE21 GLN 49 1HE2 GLN 49 0.352 13.725 0.553
336 HE22 GLN 49 2HE2 GLN 49 -0.186 13.618 2.195
337 H SER 50 H SER 50 -1.313 13.812 -4.013
338 HA SER 50 HA SER 50 -1.921 16.620 -4.180
339 HB2 SER 50 2HB SER 50 0.603 15.713 -2.764
340 HB3 SER 50 1HB SER 50 0.127 17.380 -3.091
341 HG SER 50 HG SER 50 -1.876 16.658 -1.832
342 H HIS 51 H HIS 51 -1.607 14.463 -6.060
343 HA HIS 51 HA HIS 51 0.935 14.998 -7.404
344 HB2 HIS 51 2HB HIS 51 -1.366 13.150 -7.972
345 HB3 HIS 51 1HB HIS 51 -0.084 13.414 -9.138
346 HD1 HIS 51 HD1 HIS 51 1.040 11.199 -9.102
347 HD2 HIS 51 HD2 HIS 51 0.510 12.748 -5.286
348 HE1 HIS 51 HE1 HIS 51 2.284 9.649 -7.570
349 HE2 HIS 51 HE2 HIS 51 1.836 10.520 -5.248
Start of MODEL 12
1 H1 VAL 1 1H VAL 1 -5.621 15.878 6.735
2 H2 VAL 1 2H VAL 1 -4.582 15.391 5.491
3 H3 VAL 1 3H VAL 1 -3.990 15.554 7.073
4 HA VAL 1 HA VAL 1 -4.302 13.241 6.484
5 HB VAL 1 HB VAL 1 -5.765 12.585 8.389
6 HG11 VAL 1 1HG1 VAL 1 -3.433 13.072 8.791
7 HG12 VAL 1 2HG1 VAL 1 -4.405 13.659 10.140
8 HG13 VAL 1 3HG1 VAL 1 -3.789 14.791 8.938
9 HG21 VAL 1 3HG2 VAL 1 -6.736 14.325 9.812
10 HG22 VAL 1 1HG2 VAL 1 -7.445 14.346 8.199
11 HG23 VAL 1 2HG2 VAL 1 -6.242 15.555 8.649
12 H VAL 2 H VAL 2 -5.841 14.630 4.452
13 HA VAL 2 HA VAL 2 -8.442 13.320 4.508
14 HB VAL 2 HB VAL 2 -7.243 15.080 2.359
15 HG11 VAL 2 1HG1 VAL 2 -9.590 15.306 1.607
16 HG12 VAL 2 2HG1 VAL 2 -10.058 14.086 2.792
17 HG13 VAL 2 3HG1 VAL 2 -8.975 13.661 1.468
18 HG21 VAL 2 3HG2 VAL 2 -9.201 15.778 4.547
19 HG22 VAL 2 1HG2 VAL 2 -8.661 16.854 3.258
20 HG23 VAL 2 2HG2 VAL 2 -7.514 16.286 4.471
21 H TYR 3 H TYR 3 -8.104 11.177 4.245
22 HA TYR 3 HA TYR 3 -6.399 10.223 2.094
23 HB2 TYR 3 2HB TYR 3 -7.973 8.766 4.227
24 HB3 TYR 3 1HB TYR 3 -7.027 7.952 2.986
25 HD1 TYR 3 HD2 TYR 3 -6.709 10.429 5.759
26 HD2 TYR 3 HD1 TYR 3 -4.773 7.488 3.369
27 HE1 TYR 3 HE2 TYR 3 -4.703 10.612 7.168
28 HE2 TYR 3 HE1 TYR 3 -2.760 7.667 4.768
29 HH TYR 3 HH TYR 3 -2.725 9.098 7.767
30 H THR 4 H THR 4 -7.262 8.533 0.637
31 HA THR 4 HA THR 4 -10.048 8.985 -0.108
32 HB THR 4 HB THR 4 -8.949 8.998 -2.561
33 HG1 THR 4 HG1 THR 4 -7.141 10.716 -1.310
34 HG21 THR 4 3HG2 THR 4 -9.215 11.433 -2.561
35 HG22 THR 4 1HG2 THR 4 -9.237 11.435 -0.798
36 HG23 THR 4 2HG2 THR 4 -10.537 10.652 -1.695
37 H ASP 5 H ASP 5 -10.336 7.512 -2.295
38 HA ASP 5 HA ASP 5 -9.756 4.841 -1.295
39 HB2 ASP 5 2HB ASP 5 -11.419 5.802 -3.637
40 HB3 ASP 5 1HB ASP 5 -11.221 4.108 -3.207
41 H CYS 6 H CYS 6 -8.921 3.174 -2.714
42 HA CYS 6 HA CYS 6 -6.410 3.934 -3.686
43 HB2 CYS 6 2HB CYS 6 -7.726 1.342 -4.433
44 HB3 CYS 6 1HB CYS 6 -6.030 1.670 -4.109
45 HG CYS 6 HG CYS 6 -6.765 0.139 -2.001
46 H THR 7 H THR 7 -5.632 4.394 -5.629
47 HA THR 7 HA THR 7 -7.533 4.691 -7.831
48 HB THR 7 HB THR 7 -4.728 5.784 -7.697
49 HG1 THR 7 HG1 THR 7 -7.150 6.908 -6.675
50 HG21 THR 7 3HG2 THR 7 -7.207 6.702 -9.166
51 HG22 THR 7 1HG2 THR 7 -5.830 5.871 -9.887
52 HG23 THR 7 2HG2 THR 7 -5.631 7.491 -9.219
53 H GLU 8 H GLU 8 -4.930 2.775 -6.785
54 HA GLU 8 HA GLU 8 -4.795 1.407 -9.346
55 HB2 GLU 8 2HB GLU 8 -2.695 3.096 -8.259
56 HB3 GLU 8 1HB GLU 8 -2.136 1.455 -8.517
57 HG2 GLU 8 2HG GLU 8 -3.379 3.281 -10.563
58 HG3 GLU 8 1HG GLU 8 -1.679 2.830 -10.448
59 H SER 9 H SER 9 -3.794 -0.678 -9.189
60 HA SER 9 HA SER 9 -4.325 -1.932 -6.619
61 HB2 SER 9 2HB SER 9 -3.613 -3.166 -9.295
62 HB3 SER 9 1HB SER 9 -4.173 -4.036 -7.864
63 HG SER 9 HG SER 9 -5.881 -3.624 -9.335
64 H GLY 10 H GLY 10 -2.753 -2.419 -5.224
65 HA2 GLY 10 2HA GLY 10 -0.450 -3.215 -4.864
66 HA3 GLY 10 1HA GLY 10 0.032 -2.196 -6.215
67 H GLN 11 H GLN 11 -2.229 -0.443 -4.757
68 HA GLN 11 HA GLN 11 -0.323 1.063 -3.150
69 HB2 GLN 11 2HB GLN 11 -2.893 1.625 -4.452
70 HB3 GLN 11 1HB GLN 11 -2.773 2.306 -2.829
71 HG2 GLN 11 2HG GLN 11 -1.674 4.002 -3.736
72 HG3 GLN 11 1HG GLN 11 -0.335 2.895 -4.013
73 HE21 GLN 11 1HE2 GLN 11 -2.925 4.664 -5.405
74 HE22 GLN 11 2HE2 GLN 11 -2.512 4.385 -7.061
75 H ASN 12 H ASN 12 -1.268 1.913 -0.979
76 HA ASN 12 HA ASN 12 -2.985 -0.061 0.290
77 HB2 ASN 12 2HB ASN 12 -1.402 -0.031 2.301
78 HB3 ASN 12 1HB ASN 12 -1.019 -1.071 0.943
79 HD21 ASN 12 1HD2 ASN 12 1.123 -1.164 1.564
80 HD22 ASN 12 2HD2 ASN 12 2.211 0.160 1.318
81 H LEU 13 H LEU 13 -1.062 2.818 1.049
82 HA LEU 13 HA LEU 13 -2.655 3.775 3.131
83 HB2 LEU 13 2HB LEU 13 -0.722 5.147 1.288
84 HB3 LEU 13 1HB LEU 13 -1.542 6.005 2.580
85 HG LEU 13 HG LEU 13 0.174 3.570 3.025
86 HD11 LEU 13 1HD1 LEU 13 1.548 5.354 2.129
87 HD12 LEU 13 2HD1 LEU 13 1.873 5.143 3.850
88 HD13 LEU 13 3HD1 LEU 13 0.876 6.489 3.298
89 HD21 LEU 13 3HD2 LEU 13 -1.471 3.964 4.772
90 HD22 LEU 13 1HD2 LEU 13 -0.947 5.642 4.908
91 HD23 LEU 13 2HD2 LEU 13 0.149 4.338 5.360
92 H CYS 14 H CYS 14 -4.643 3.207 1.962
93 HA CYS 14 HA CYS 14 -5.993 5.650 1.173
94 HB2 CYS 14 2HB CYS 14 -7.051 4.139 -0.763
95 HB3 CYS 14 1HB CYS 14 -5.633 5.136 -1.030
96 HG CYS 14 HG CYS 14 -4.762 2.152 0.086
97 H LEU 15 H LEU 15 -8.436 5.204 1.009
98 HA LEU 15 HA LEU 15 -9.212 3.389 3.123
99 HB2 LEU 15 2HB LEU 15 -11.293 4.382 1.275
100 HB3 LEU 15 1HB LEU 15 -11.304 4.286 3.022
101 HG LEU 15 HG LEU 15 -9.834 6.415 1.458
102 HD11 LEU 15 1HD1 LEU 15 -12.243 6.606 1.126
103 HD12 LEU 15 2HD1 LEU 15 -11.637 7.912 2.146
104 HD13 LEU 15 3HD1 LEU 15 -12.495 6.550 2.871
105 HD21 LEU 15 3HD2 LEU 15 -10.481 6.143 4.388
106 HD22 LEU 15 1HD2 LEU 15 -9.737 7.552 3.632
107 HD23 LEU 15 2HD2 LEU 15 -8.886 6.009 3.647
108 H CYS 16 H CYS 16 -8.491 1.477 2.324
109 HA CYS 16 HA CYS 16 -9.125 0.496 -0.246
110 HB2 CYS 16 2HB CYS 16 -7.989 -0.718 2.243
111 HB3 CYS 16 1HB CYS 16 -8.166 -1.625 0.754
112 HG CYS 16 HG CYS 16 -6.640 1.075 -0.098
113 H GLU 17 H GLU 17 -9.811 -1.126 2.773
114 HA GLU 17 HA GLU 17 -12.119 -2.427 1.579
115 HB2 GLU 17 2HB GLU 17 -10.237 -3.395 3.139
116 HB3 GLU 17 1HB GLU 17 -11.298 -2.757 4.384
117 HG2 GLU 17 2HG GLU 17 -12.254 -4.669 2.279
118 HG3 GLU 17 1HG GLU 17 -11.555 -5.213 3.800
119 H GLY 18 H GLY 18 -14.069 -1.763 1.900
120 HA2 GLY 18 2HA GLY 18 -15.813 -0.387 2.523
121 HA3 GLY 18 1HA GLY 18 -15.293 -0.765 4.161
122 H SER 19 H SER 19 -14.021 0.691 5.292
123 HA SER 19 HA SER 19 -13.273 3.170 3.908
124 HB2 SER 19 2HB SER 19 -13.735 4.117 6.344
125 HB3 SER 19 1HB SER 19 -14.990 4.077 5.108
126 HG SER 19 HG SER 19 -15.627 2.024 6.026
127 H ASN 20 H ASN 20 -11.989 0.566 5.131
128 HA ASN 20 HA ASN 20 -10.295 1.530 7.216
129 HB2 ASN 20 2HB ASN 20 -10.195 -0.964 5.520
130 HB3 ASN 20 1HB ASN 20 -9.012 -0.609 6.777
131 HD21 ASN 20 1HD2 ASN 20 -12.310 -1.416 6.093
132 HD22 ASN 20 2HD2 ASN 20 -12.745 -1.826 7.711
133 H VAL 21 H VAL 21 -8.515 2.595 7.094
134 HA VAL 21 HA VAL 21 -7.399 3.216 4.467
135 HB VAL 21 HB VAL 21 -6.288 4.240 7.066
136 HG11 VAL 21 1HG1 VAL 21 -5.687 6.171 5.683
137 HG12 VAL 21 2HG1 VAL 21 -6.392 5.364 4.281
138 HG13 VAL 21 3HG1 VAL 21 -4.989 4.665 5.091
139 HG21 VAL 21 3HG2 VAL 21 -8.619 4.715 7.279
140 HG22 VAL 21 1HG2 VAL 21 -8.706 5.288 5.617
141 HG23 VAL 21 2HG2 VAL 21 -7.804 6.208 6.815
142 H CYS 22 H CYS 22 -6.317 1.398 3.826
143 HA CYS 22 HA CYS 22 -4.804 -0.183 5.595
144 HB2 CYS 22 2HB CYS 22 -5.597 -0.380 2.871
145 HB3 CYS 22 1HB CYS 22 -3.849 -0.543 2.921
146 HG CYS 22 HG CYS 22 -5.834 -2.371 5.002
147 H GLY 23 H GLY 23 -2.481 -0.529 5.571
148 HA2 GLY 23 2HA GLY 23 -0.994 1.904 4.825
149 HA3 GLY 23 1HA GLY 23 -0.821 1.191 6.422
150 H GLN 24 H GLN 24 1.421 0.863 6.050
151 HA GLN 24 HA GLN 24 2.168 -0.750 3.764
152 HB2 GLN 24 2HB GLN 24 3.885 0.490 5.923
153 HB3 GLN 24 1HB GLN 24 4.484 -0.321 4.480
154 HG2 GLN 24 2HG GLN 24 3.268 1.393 3.120
155 HG3 GLN 24 1HG GLN 24 2.925 2.247 4.622
156 HE21 GLN 24 1HE2 GLN 24 5.536 1.471 5.752
157 HE22 GLN 24 2HE2 GLN 24 6.698 2.495 4.975
158 H GLY 25 H GLY 25 2.847 -2.792 3.848
159 HA2 GLY 25 2HA GLY 25 3.435 -4.779 5.186
160 HA3 GLY 25 1HA GLY 25 2.296 -4.182 6.397
161 H ASN 26 H ASN 26 0.515 -3.201 4.239
162 HA ASN 26 HA ASN 26 -0.440 -5.777 3.171
163 HB2 ASN 26 2HB ASN 26 -2.021 -3.301 3.891
164 HB3 ASN 26 1HB ASN 26 -2.688 -4.675 3.018
165 HD21 ASN 26 1HD2 ASN 26 -3.576 -3.635 5.516
166 HD22 ASN 26 2HD2 ASN 26 -3.374 -4.888 6.701
167 H LYS 27 H LYS 27 -1.441 -5.689 1.082
168 HA LYS 27 HA LYS 27 -0.754 -3.344 -0.544
169 HB2 LYS 27 2HB LYS 27 0.954 -5.044 -0.983
170 HB3 LYS 27 1HB LYS 27 -0.294 -6.237 -1.318
171 HG2 LYS 27 2HG LYS 27 -0.637 -5.486 -3.401
172 HG3 LYS 27 1HG LYS 27 -0.450 -3.793 -2.935
173 HD2 LYS 27 2HD LYS 27 1.349 -4.357 -4.401
174 HD3 LYS 27 1HD LYS 27 2.002 -4.182 -2.772
175 HE2 LYS 27 2HE LYS 27 3.001 -6.103 -3.808
176 HE3 LYS 27 1HE LYS 27 1.923 -6.645 -2.523
177 HZ1 LYS 27 3HZ LYS 27 1.911 -7.734 -4.897
178 HZ2 LYS 27 1HZ LYS 27 0.832 -6.470 -5.235
179 HZ3 LYS 27 2HZ LYS 27 0.487 -7.580 -3.996
180 H CYS 28 H CYS 28 -2.592 -2.560 -1.312
181 HA CYS 28 HA CYS 28 -4.952 -4.254 -1.340
182 HB2 CYS 28 2HB CYS 28 -5.048 -2.054 -0.258
183 HB3 CYS 28 1HB CYS 28 -4.625 -1.284 -1.782
184 HG CYS 28 HG CYS 28 -7.573 -2.596 -0.791
185 H ILE 29 H ILE 29 -5.884 -5.003 -3.122
186 HA ILE 29 HA ILE 29 -5.035 -3.891 -5.705
187 HB ILE 29 HB ILE 29 -5.497 -6.255 -6.601
188 HG12 ILE 29 2HG1 ILE 29 -4.977 -6.896 -3.695
189 HG13 ILE 29 1HG1 ILE 29 -6.530 -7.087 -4.505
190 HG21 ILE 29 1HG2 ILE 29 -3.081 -5.742 -4.863
191 HG22 ILE 29 2HG2 ILE 29 -3.285 -5.228 -6.537
192 HG23 ILE 29 3HG2 ILE 29 -3.188 -6.944 -6.150
193 HD11 ILE 29 3HD1 ILE 29 -5.397 -9.216 -4.310
194 HD12 ILE 29 1HD1 ILE 29 -3.989 -8.568 -5.153
195 HD13 ILE 29 2HD1 ILE 29 -5.521 -8.748 -6.006
196 H LEU 30 H LEU 30 -6.577 -3.164 -6.902
197 HA LEU 30 HA LEU 30 -9.354 -3.549 -6.272
198 HB2 LEU 30 2HB LEU 30 -7.995 -2.015 -8.499
199 HB3 LEU 30 1HB LEU 30 -9.712 -1.970 -8.145
200 HG LEU 30 HG LEU 30 -7.707 -1.173 -6.067
201 HD11 LEU 30 1HD1 LEU 30 -7.938 1.146 -6.823
202 HD12 LEU 30 2HD1 LEU 30 -8.886 0.600 -8.207
203 HD13 LEU 30 3HD1 LEU 30 -7.189 0.140 -8.063
204 HD21 LEU 30 3HD2 LEU 30 -9.571 0.175 -5.253
205 HD22 LEU 30 1HD2 LEU 30 -10.013 -1.528 -5.369
206 HD23 LEU 30 2HD2 LEU 30 -10.568 -0.387 -6.595
207 H GLY 31 H GLY 31 -10.243 -5.401 -6.907
208 HA2 GLY 31 2HA GLY 31 -9.503 -6.504 -9.530
209 HA3 GLY 31 1HA GLY 31 -10.338 -7.377 -8.249
210 H ARG 32 H ARG 32 -12.447 -7.617 -8.460
211 HA ARG 32 HA ARG 32 -14.174 -5.587 -9.441
212 HB2 ARG 32 2HB ARG 32 -15.000 -6.782 -11.441
213 HB3 ARG 32 1HB ARG 32 -13.325 -6.279 -11.614
214 HG2 ARG 32 2HG ARG 32 -12.624 -8.576 -11.024
215 HG3 ARG 32 1HG ARG 32 -14.323 -9.050 -10.997
216 HD2 ARG 32 2HD ARG 32 -12.846 -7.909 -13.365
217 HD3 ARG 32 1HD ARG 32 -13.254 -9.607 -13.130
218 HE ARG 32 HE ARG 32 -15.641 -8.229 -12.953
219 HH11 ARG 32 1HH1 ARG 32 -13.127 -8.623 -15.362
220 HH12 ARG 32 2HH1 ARG 32 -14.221 -8.474 -16.701
221 HH21 ARG 32 1HH2 ARG 32 -17.068 -7.994 -14.724
222 HH22 ARG 32 2HH2 ARG 32 -16.449 -8.116 -16.346
223 H GLY 33 H GLY 33 -16.445 -6.342 -9.494
224 HA2 GLY 33 2HA GLY 33 -18.213 -7.593 -8.710
225 HA3 GLY 33 1HA GLY 33 -17.113 -8.957 -8.562
226 H ASP 34 H ASP 34 -16.952 -9.704 -6.576
227 HA ASP 34 HA ASP 34 -17.555 -7.944 -4.323
228 HB2 ASP 34 2HB ASP 34 -17.688 -9.927 -2.974
229 HB3 ASP 34 1HB ASP 34 -18.550 -10.252 -4.475
230 H SER 35 H SER 35 -14.936 -8.794 -6.112
231 HA SER 35 HA SER 35 -13.071 -8.446 -3.858
232 HB2 SER 35 2HB SER 35 -12.905 -10.614 -5.121
233 HB3 SER 35 1HB SER 35 -12.497 -9.688 -6.564
234 HG SER 35 HG SER 35 -10.632 -8.980 -5.560
235 H LYS 36 H LYS 36 -14.457 -6.323 -5.138
236 HA LYS 36 HA LYS 36 -12.979 -5.067 -7.176
237 HB2 LYS 36 2HB LYS 36 -14.242 -2.981 -6.404
238 HB3 LYS 36 1HB LYS 36 -15.199 -4.346 -6.946
239 HG2 LYS 36 2HG LYS 36 -16.284 -3.475 -5.038
240 HG3 LYS 36 1HG LYS 36 -15.503 -4.962 -4.516
241 HD2 LYS 36 2HD LYS 36 -13.611 -3.574 -3.657
242 HD3 LYS 36 1HD LYS 36 -14.558 -2.140 -4.049
243 HE2 LYS 36 2HE LYS 36 -15.445 -4.327 -2.172
244 HE3 LYS 36 1HE LYS 36 -14.706 -2.811 -1.663
245 HZ1 LYS 36 3HZ LYS 36 -16.573 -1.653 -2.768
246 HZ2 LYS 36 1HZ LYS 36 -17.061 -2.626 -1.467
247 HZ3 LYS 36 2HZ LYS 36 -17.302 -3.148 -3.065
248 H ASN 37 H ASN 37 -12.396 -5.313 -3.852
249 HA ASN 37 HA ASN 37 -9.964 -3.801 -4.013
250 HB2 ASN 37 2HB ASN 37 -11.740 -2.141 -3.321
251 HB3 ASN 37 1HB ASN 37 -12.027 -3.138 -1.896
252 HD21 ASN 37 1HD2 ASN 37 -10.126 -0.743 -3.312
253 HD22 ASN 37 2HD2 ASN 37 -8.969 -0.581 -2.049
254 H GLN 38 H GLN 38 -8.458 -4.936 -2.822
255 HA GLN 38 HA GLN 38 -9.368 -6.431 -0.502
256 HB2 GLN 38 2HB GLN 38 -9.482 -7.770 -2.737
257 HB3 GLN 38 1HB GLN 38 -7.751 -7.907 -2.543
258 HG2 GLN 38 2HG GLN 38 -9.806 -8.835 -0.546
259 HG3 GLN 38 1HG GLN 38 -9.017 -9.868 -1.732
260 HE21 GLN 38 1HE2 GLN 38 -8.787 -8.335 1.312
261 HE22 GLN 38 2HE2 GLN 38 -7.220 -8.925 1.748
262 H CYS 39 H CYS 39 -8.001 -6.141 1.036
263 HA CYS 39 HA CYS 39 -5.318 -5.185 0.525
264 HB2 CYS 39 2HB CYS 39 -6.860 -5.589 3.076
265 HB3 CYS 39 1HB CYS 39 -5.234 -4.932 2.996
266 HG CYS 39 HG CYS 39 -5.885 -2.499 2.486
267 H VAL 40 H VAL 40 -4.171 -6.950 -0.228
268 HA VAL 40 HA VAL 40 -4.112 -9.391 1.356
269 HB VAL 40 HB VAL 40 -4.048 -9.265 -1.200
270 HG11 VAL 40 1HG1 VAL 40 -2.350 -7.546 -1.423
271 HG12 VAL 40 2HG1 VAL 40 -1.859 -9.029 -2.242
272 HG13 VAL 40 3HG1 VAL 40 -1.155 -8.609 -0.679
273 HG21 VAL 40 3HG2 VAL 40 -2.550 -11.220 -1.372
274 HG22 VAL 40 1HG2 VAL 40 -3.663 -11.333 -0.008
275 HG23 VAL 40 2HG2 VAL 40 -1.976 -10.897 0.264
276 H THR 41 H THR 41 -1.939 -10.236 2.071
277 HA THR 41 HA THR 41 -0.608 -8.040 3.418
278 HB THR 41 HB THR 41 0.578 -9.949 4.638
279 HG1 THR 41 HG1 THR 41 -1.179 -11.829 4.386
280 HG21 THR 41 3HG2 THR 41 -2.428 -9.713 4.821
281 HG22 THR 41 1HG2 THR 41 -1.257 -8.657 5.610
282 HG23 THR 41 2HG2 THR 41 -1.371 -10.355 6.079
283 H GLY 42 H GLY 42 1.272 -7.248 2.884
284 HA2 GLY 42 2HA GLY 42 3.515 -8.590 1.947
285 HA3 GLY 42 1HA GLY 42 2.631 -8.036 0.530
286 H GLU 43 H GLU 43 3.506 -6.209 -0.231
287 HA GLU 43 HA GLU 43 3.575 -3.959 1.587
288 HB2 GLU 43 2HB GLU 43 5.811 -3.218 0.881
289 HB3 GLU 43 1HB GLU 43 5.855 -4.724 1.780
290 HG2 GLU 43 2HG GLU 43 6.138 -5.970 -0.289
291 HG3 GLU 43 1HG GLU 43 6.059 -4.467 -1.212
292 H GLY 44 H GLY 44 2.644 -2.307 0.676
293 HA2 GLY 44 2HA GLY 44 2.318 -2.349 -2.248
294 HA3 GLY 44 1HA GLY 44 1.189 -1.617 -1.119
295 H THR 45 H THR 45 1.197 0.394 -1.993
296 HA THR 45 HA THR 45 3.607 1.977 -1.567
297 HB THR 45 HB THR 45 2.363 2.865 -3.996
298 HG1 THR 45 HG1 THR 45 1.923 0.431 -3.959
299 HG21 THR 45 3HG2 THR 45 4.652 3.384 -3.339
300 HG22 THR 45 1HG2 THR 45 4.633 2.558 -4.898
301 HG23 THR 45 2HG2 THR 45 5.085 1.677 -3.438
302 HA PRO 46 HA PRO 46 0.676 4.933 0.065
303 HB2 PRO 46 2HB PRO 46 2.627 6.901 -1.014
304 HB3 PRO 46 1HB PRO 46 1.967 6.755 0.618
305 HG2 PRO 46 2HG PRO 46 4.466 6.006 0.108
306 HG3 PRO 46 1HG PRO 46 3.445 5.050 1.199
307 HD2 PRO 46 2HD PRO 46 4.190 4.521 -1.649
308 HD3 PRO 46 1HD PRO 46 4.044 3.386 -0.290
309 H LYS 47 H LYS 47 -0.945 6.263 -0.776
310 HA LYS 47 HA LYS 47 -1.276 5.954 -3.644
311 HB2 LYS 47 2HB LYS 47 -3.026 5.424 -1.811
312 HB3 LYS 47 1HB LYS 47 -3.294 7.163 -1.780
313 HG2 LYS 47 2HG LYS 47 -3.495 6.792 -4.393
314 HG3 LYS 47 1HG LYS 47 -3.947 5.174 -3.865
315 HD2 LYS 47 2HD LYS 47 -6.015 6.060 -3.735
316 HD3 LYS 47 1HD LYS 47 -5.440 6.680 -2.187
317 HE2 LYS 47 2HE LYS 47 -5.339 8.172 -4.811
318 HE3 LYS 47 1HE LYS 47 -6.552 8.406 -3.555
319 HZ1 LYS 47 3HZ LYS 47 -4.812 9.131 -2.052
320 HZ2 LYS 47 1HZ LYS 47 -4.815 10.078 -3.451
321 HZ3 LYS 47 2HZ LYS 47 -3.635 8.889 -3.241
322 HA PRO 48 HA PRO 48 0.008 10.269 -4.047
323 HB2 PRO 48 2HB PRO 48 -0.041 9.752 -6.909
324 HB3 PRO 48 1HB PRO 48 1.343 10.105 -5.872
325 HG2 PRO 48 2HG PRO 48 0.921 7.677 -7.028
326 HG3 PRO 48 1HG PRO 48 1.791 7.896 -5.501
327 HD2 PRO 48 2HD PRO 48 -1.026 7.014 -5.968
328 HD3 PRO 48 1HD PRO 48 0.155 6.437 -4.773
329 H GLN 49 H GLN 49 -0.773 12.084 -5.373
330 HA GLN 49 HA GLN 49 -3.378 11.824 -6.592
331 HB2 GLN 49 2HB GLN 49 -4.259 13.649 -4.954
332 HB3 GLN 49 1HB GLN 49 -4.293 11.957 -4.486
333 HG2 GLN 49 2HG GLN 49 -2.238 12.252 -3.228
334 HG3 GLN 49 1HG GLN 49 -2.191 13.950 -3.681
335 HE21 GLN 49 1HE2 GLN 49 -2.298 12.784 -1.043
336 HE22 GLN 49 2HE2 GLN 49 -3.730 13.395 -0.293
337 H SER 50 H SER 50 -0.718 13.801 -5.504
338 HA SER 50 HA SER 50 -1.426 15.841 -7.502
339 HB2 SER 50 2HB SER 50 -1.011 16.600 -5.147
340 HB3 SER 50 1HB SER 50 0.645 16.012 -5.297
341 HG SER 50 HG SER 50 -0.613 18.194 -6.553
342 H HIS 51 H HIS 51 -0.063 16.293 -9.198
343 HA HIS 51 HA HIS 51 1.856 14.216 -9.836
344 HB2 HIS 51 2HB HIS 51 1.097 16.731 -11.339
345 HB3 HIS 51 1HB HIS 51 2.157 15.478 -11.963
346 HD1 HIS 51 HD1 HIS 51 0.942 14.224 -13.711
347 HD2 HIS 51 HD2 HIS 51 -1.540 15.202 -10.518
348 HE1 HIS 51 HE1 HIS 51 -1.279 13.170 -14.227
349 HE2 HIS 51 HE2 HIS 51 -2.818 13.986 -12.410
Start of MODEL 13
1 H1 VAL 1 1H VAL 1 -6.408 16.623 6.314
2 H2 VAL 1 2H VAL 1 -5.891 16.434 7.909
3 H3 VAL 1 3H VAL 1 -7.549 16.444 7.556
4 HA VAL 1 HA VAL 1 -5.555 14.374 6.875
5 HB VAL 1 HB VAL 1 -8.167 14.114 8.321
6 HG11 VAL 1 1HG1 VAL 1 -7.277 11.954 9.051
7 HG12 VAL 1 2HG1 VAL 1 -5.817 12.245 8.103
8 HG13 VAL 1 3HG1 VAL 1 -7.373 12.062 7.292
9 HG21 VAL 1 3HG2 VAL 1 -5.410 14.387 9.495
10 HG22 VAL 1 1HG2 VAL 1 -6.860 13.949 10.398
11 HG23 VAL 1 2HG2 VAL 1 -6.735 15.539 9.646
12 H VAL 2 H VAL 2 -5.897 14.741 4.591
13 HA VAL 2 HA VAL 2 -8.547 13.906 3.631
14 HB VAL 2 HB VAL 2 -6.343 15.293 2.093
15 HG11 VAL 2 1HG1 VAL 2 -7.755 13.923 0.663
16 HG12 VAL 2 2HG1 VAL 2 -8.061 15.636 0.378
17 HG13 VAL 2 3HG1 VAL 2 -9.198 14.684 1.332
18 HG21 VAL 2 3HG2 VAL 2 -7.758 17.279 2.182
19 HG22 VAL 2 1HG2 VAL 2 -7.304 16.751 3.802
20 HG23 VAL 2 2HG2 VAL 2 -8.922 16.414 3.186
21 H TYR 3 H TYR 3 -8.213 11.666 3.901
22 HA TYR 3 HA TYR 3 -6.232 10.488 2.084
23 HB2 TYR 3 2HB TYR 3 -7.961 9.268 4.241
24 HB3 TYR 3 1HB TYR 3 -7.085 8.290 3.071
25 HD1 TYR 3 HD2 TYR 3 -6.460 11.052 5.522
26 HD2 TYR 3 HD1 TYR 3 -4.974 7.539 3.642
27 HE1 TYR 3 HE2 TYR 3 -4.447 11.151 6.933
28 HE2 TYR 3 HE1 TYR 3 -2.957 7.633 5.042
29 HH TYR 3 HH TYR 3 -1.660 9.421 6.304
30 H THR 4 H THR 4 -7.061 8.659 0.723
31 HA THR 4 HA THR 4 -9.761 9.215 -0.255
32 HB THR 4 HB THR 4 -8.799 8.939 -2.608
33 HG1 THR 4 HG1 THR 4 -6.380 9.862 -1.468
34 HG21 THR 4 3HG2 THR 4 -9.616 11.086 -1.757
35 HG22 THR 4 1HG2 THR 4 -8.205 11.305 -2.793
36 HG23 THR 4 2HG2 THR 4 -8.036 11.406 -1.041
37 H ASP 5 H ASP 5 -10.239 7.490 -2.071
38 HA ASP 5 HA ASP 5 -9.731 4.908 -0.832
39 HB2 ASP 5 2HB ASP 5 -11.450 5.684 -3.208
40 HB3 ASP 5 1HB ASP 5 -11.363 4.070 -2.517
41 H CYS 6 H CYS 6 -8.879 3.125 -2.040
42 HA CYS 6 HA CYS 6 -6.549 3.761 -3.456
43 HB2 CYS 6 2HB CYS 6 -7.993 1.133 -3.662
44 HB3 CYS 6 1HB CYS 6 -6.263 1.442 -3.782
45 HG CYS 6 HG CYS 6 -5.712 1.506 -1.215
46 H THR 7 H THR 7 -6.106 4.038 -5.563
47 HA THR 7 HA THR 7 -8.396 3.804 -7.409
48 HB THR 7 HB THR 7 -6.014 5.653 -7.582
49 HG1 THR 7 HG1 THR 7 -8.700 6.080 -6.726
50 HG21 THR 7 3HG2 THR 7 -6.965 5.139 -9.783
51 HG22 THR 7 1HG2 THR 7 -7.314 6.807 -9.328
52 HG23 THR 7 2HG2 THR 7 -8.571 5.576 -9.199
53 H GLU 8 H GLU 8 -5.360 2.628 -6.616
54 HA GLU 8 HA GLU 8 -5.034 1.387 -9.249
55 HB2 GLU 8 2HB GLU 8 -2.966 2.849 -7.626
56 HB3 GLU 8 1HB GLU 8 -2.533 1.742 -8.907
57 HG2 GLU 8 2HG GLU 8 -3.705 3.112 -10.528
58 HG3 GLU 8 1HG GLU 8 -4.257 4.185 -9.243
59 H SER 9 H SER 9 -3.900 -0.612 -9.212
60 HA SER 9 HA SER 9 -4.356 -2.022 -6.707
61 HB2 SER 9 2HB SER 9 -3.494 -3.116 -9.403
62 HB3 SER 9 1HB SER 9 -4.056 -4.058 -8.018
63 HG SER 9 HG SER 9 -5.537 -2.207 -9.573
64 H GLY 10 H GLY 10 -2.785 -2.547 -5.326
65 HA2 GLY 10 2HA GLY 10 -0.500 -3.273 -4.918
66 HA3 GLY 10 1HA GLY 10 0.005 -2.261 -6.267
67 H GLN 11 H GLN 11 -2.275 -0.502 -4.852
68 HA GLN 11 HA GLN 11 -0.357 1.075 -3.328
69 HB2 GLN 11 2HB GLN 11 -2.845 1.600 -4.738
70 HB3 GLN 11 1HB GLN 11 -2.867 2.289 -3.113
71 HG2 GLN 11 2HG GLN 11 -1.718 3.986 -3.901
72 HG3 GLN 11 1HG GLN 11 -0.352 2.912 -4.142
73 HE21 GLN 11 1HE2 GLN 11 -2.967 4.636 -5.593
74 HE22 GLN 11 2HE2 GLN 11 -2.432 4.462 -7.233
75 H ASN 12 H ASN 12 -1.051 1.912 -1.144
76 HA ASN 12 HA ASN 12 -2.790 0.005 0.227
77 HB2 ASN 12 2HB ASN 12 -1.094 0.075 2.171
78 HB3 ASN 12 1HB ASN 12 -0.830 -1.016 0.825
79 HD21 ASN 12 1HD2 ASN 12 1.329 -1.156 1.287
80 HD22 ASN 12 2HD2 ASN 12 2.440 0.120 0.920
81 H LEU 13 H LEU 13 -0.842 2.898 0.888
82 HA LEU 13 HA LEU 13 -2.322 3.794 3.087
83 HB2 LEU 13 2HB LEU 13 -0.509 5.221 1.165
84 HB3 LEU 13 1HB LEU 13 -1.252 6.041 2.526
85 HG LEU 13 HG LEU 13 0.485 3.595 2.829
86 HD11 LEU 13 1HD1 LEU 13 1.220 6.512 2.995
87 HD12 LEU 13 2HD1 LEU 13 1.840 5.321 1.853
88 HD13 LEU 13 3HD1 LEU 13 2.235 5.188 3.565
89 HD21 LEU 13 3HD2 LEU 13 -1.083 4.092 4.670
90 HD22 LEU 13 1HD2 LEU 13 -0.374 5.699 4.813
91 HD23 LEU 13 2HD2 LEU 13 0.605 4.270 5.151
92 H CYS 14 H CYS 14 -4.369 3.221 1.894
93 HA CYS 14 HA CYS 14 -5.792 5.679 1.385
94 HB2 CYS 14 2HB CYS 14 -6.826 4.361 -0.720
95 HB3 CYS 14 1HB CYS 14 -5.462 5.468 -0.869
96 HG CYS 14 HG CYS 14 -4.289 2.524 -0.110
97 H LEU 15 H LEU 15 -8.246 5.048 0.997
98 HA LEU 15 HA LEU 15 -8.923 3.116 3.050
99 HB2 LEU 15 2HB LEU 15 -11.023 4.266 1.269
100 HB3 LEU 15 1HB LEU 15 -11.080 3.929 2.980
101 HG LEU 15 HG LEU 15 -9.619 6.262 1.743
102 HD11 LEU 15 1HD1 LEU 15 -11.431 7.610 2.679
103 HD12 LEU 15 2HD1 LEU 15 -12.251 6.138 3.205
104 HD13 LEU 15 3HD1 LEU 15 -12.035 6.458 1.485
105 HD21 LEU 15 3HD2 LEU 15 -10.227 5.588 4.617
106 HD22 LEU 15 1HD2 LEU 15 -9.451 7.063 4.041
107 HD23 LEU 15 2HD2 LEU 15 -8.642 5.509 3.845
108 H CYS 16 H CYS 16 -8.725 1.048 2.471
109 HA CYS 16 HA CYS 16 -9.480 0.259 -0.220
110 HB2 CYS 16 2HB CYS 16 -7.319 -0.533 0.500
111 HB3 CYS 16 1HB CYS 16 -8.021 -1.226 1.953
112 HG CYS 16 HG CYS 16 -9.279 -3.321 0.765
113 H GLU 17 H GLU 17 -9.799 -1.112 3.005
114 HA GLU 17 HA GLU 17 -12.153 -2.579 2.148
115 HB2 GLU 17 2HB GLU 17 -10.085 -3.011 3.965
116 HB3 GLU 17 1HB GLU 17 -11.570 -2.862 4.906
117 HG2 GLU 17 2HG GLU 17 -10.970 -5.188 4.229
118 HG3 GLU 17 1HG GLU 17 -12.567 -4.658 3.696
119 H GLY 18 H GLY 18 -13.935 -1.592 2.242
120 HA2 GLY 18 2HA GLY 18 -15.598 -0.077 2.750
121 HA3 GLY 18 1HA GLY 18 -15.241 -0.513 4.416
122 H SER 19 H SER 19 -13.890 0.778 5.637
123 HA SER 19 HA SER 19 -13.192 3.404 4.493
124 HB2 SER 19 2HB SER 19 -13.538 4.034 7.039
125 HB3 SER 19 1HB SER 19 -14.905 3.994 5.925
126 HG SER 19 HG SER 19 -15.720 2.509 7.159
127 H ASN 20 H ASN 20 -11.895 0.637 5.521
128 HA ASN 20 HA ASN 20 -10.050 1.463 7.528
129 HB2 ASN 20 2HB ASN 20 -10.164 -0.971 5.742
130 HB3 ASN 20 1HB ASN 20 -8.897 -0.726 6.936
131 HD21 ASN 20 1HD2 ASN 20 -12.107 0.392 7.603
132 HD22 ASN 20 2HD2 ASN 20 -12.520 -0.833 8.750
133 H VAL 21 H VAL 21 -8.245 2.540 7.314
134 HA VAL 21 HA VAL 21 -7.191 3.105 4.664
135 HB VAL 21 HB VAL 21 -5.924 4.027 7.229
136 HG11 VAL 21 1HG1 VAL 21 -5.301 5.966 5.855
137 HG12 VAL 21 2HG1 VAL 21 -6.100 5.220 4.473
138 HG13 VAL 21 3HG1 VAL 21 -4.696 4.444 5.200
139 HG21 VAL 21 3HG2 VAL 21 -8.298 5.307 5.897
140 HG22 VAL 21 1HG2 VAL 21 -7.342 6.034 7.185
141 HG23 VAL 21 2HG2 VAL 21 -8.268 4.563 7.491
142 H CYS 22 H CYS 22 -6.004 1.475 3.850
143 HA CYS 22 HA CYS 22 -4.425 -0.225 5.504
144 HB2 CYS 22 2HB CYS 22 -5.303 -0.275 2.797
145 HB3 CYS 22 1HB CYS 22 -3.547 -0.371 2.788
146 HG CYS 22 HG CYS 22 -5.785 -2.595 3.986
147 H GLY 23 H GLY 23 -2.079 -0.438 5.383
148 HA2 GLY 23 2HA GLY 23 -0.691 2.020 4.570
149 HA3 GLY 23 1HA GLY 23 -0.532 1.458 6.229
150 H GLN 24 H GLN 24 1.637 0.913 6.220
151 HA GLN 24 HA GLN 24 2.670 -0.610 3.983
152 HB2 GLN 24 2HB GLN 24 4.045 0.386 6.484
153 HB3 GLN 24 1HB GLN 24 4.848 -0.447 5.162
154 HG2 GLN 24 2HG GLN 24 3.671 2.304 5.212
155 HG3 GLN 24 1HG GLN 24 5.301 1.796 4.764
156 HE21 GLN 24 1HE2 GLN 24 2.079 2.303 3.707
157 HE22 GLN 24 2HE2 GLN 24 2.337 1.970 2.030
158 H GLY 25 H GLY 25 3.394 -2.662 4.039
159 HA2 GLY 25 2HA GLY 25 3.701 -4.797 5.038
160 HA3 GLY 25 1HA GLY 25 2.743 -4.264 6.418
161 H ASN 26 H ASN 26 1.011 -3.015 4.134
162 HA ASN 26 HA ASN 26 -0.328 -5.495 3.287
163 HB2 ASN 26 2HB ASN 26 -1.589 -2.904 4.194
164 HB3 ASN 26 1HB ASN 26 -2.470 -4.146 3.312
165 HD21 ASN 26 1HD2 ASN 26 -1.082 -3.222 6.332
166 HD22 ASN 26 2HD2 ASN 26 -1.700 -4.543 7.257
167 H LYS 27 H LYS 27 -1.544 -5.279 1.304
168 HA LYS 27 HA LYS 27 -0.857 -3.003 -0.385
169 HB2 LYS 27 2HB LYS 27 0.888 -4.673 -0.826
170 HB3 LYS 27 1HB LYS 27 -0.344 -5.881 -1.168
171 HG2 LYS 27 2HG LYS 27 -0.978 -4.835 -3.163
172 HG3 LYS 27 1HG LYS 27 -0.158 -3.331 -2.733
173 HD2 LYS 27 2HD LYS 27 1.161 -4.461 -4.390
174 HD3 LYS 27 1HD LYS 27 2.007 -4.545 -2.843
175 HE2 LYS 27 2HE LYS 27 2.194 -6.690 -3.821
176 HE3 LYS 27 1HE LYS 27 0.985 -6.833 -2.544
177 HZ1 LYS 27 3HZ LYS 27 0.426 -6.541 -5.453
178 HZ2 LYS 27 1HZ LYS 27 -0.742 -6.666 -4.233
179 HZ3 LYS 27 2HZ LYS 27 0.285 -7.972 -4.545
180 H CYS 28 H CYS 28 -2.729 -2.314 -1.262
181 HA CYS 28 HA CYS 28 -5.017 -4.107 -1.279
182 HB2 CYS 28 2HB CYS 28 -5.471 -1.926 -0.405
183 HB3 CYS 28 1HB CYS 28 -4.730 -1.146 -1.800
184 HG CYS 28 HG CYS 28 -7.740 -2.740 -1.644
185 H ILE 29 H ILE 29 -5.896 -4.971 -3.054
186 HA ILE 29 HA ILE 29 -4.916 -4.026 -5.654
187 HB ILE 29 HB ILE 29 -5.119 -6.452 -6.425
188 HG12 ILE 29 2HG1 ILE 29 -4.825 -6.932 -3.457
189 HG13 ILE 29 1HG1 ILE 29 -6.286 -7.250 -4.386
190 HG21 ILE 29 1HG2 ILE 29 -2.830 -6.963 -5.723
191 HG22 ILE 29 2HG2 ILE 29 -2.921 -5.681 -4.516
192 HG23 ILE 29 3HG2 ILE 29 -2.999 -5.283 -6.232
193 HD11 ILE 29 3HD1 ILE 29 -5.084 -8.914 -5.704
194 HD12 ILE 29 1HD1 ILE 29 -5.038 -9.292 -3.983
195 HD13 ILE 29 2HD1 ILE 29 -3.621 -8.597 -4.771
196 H LEU 30 H LEU 30 -6.467 -3.391 -6.898
197 HA LEU 30 HA LEU 30 -9.214 -3.977 -6.369
198 HB2 LEU 30 2HB LEU 30 -7.846 -2.429 -8.574
199 HB3 LEU 30 1HB LEU 30 -9.583 -2.621 -8.469
200 HG LEU 30 HG LEU 30 -9.437 -1.509 -6.190
201 HD11 LEU 30 1HD1 LEU 30 -7.067 -1.782 -5.772
202 HD12 LEU 30 2HD1 LEU 30 -7.493 -0.071 -5.805
203 HD13 LEU 30 3HD1 LEU 30 -6.686 -0.805 -7.191
204 HD21 LEU 30 3HD2 LEU 30 -10.276 -0.379 -8.186
205 HD22 LEU 30 1HD2 LEU 30 -8.631 0.090 -8.612
206 HD23 LEU 30 2HD2 LEU 30 -9.377 0.727 -7.147
207 H GLY 31 H GLY 31 -9.682 -6.085 -6.754
208 HA2 GLY 31 2HA GLY 31 -8.717 -7.309 -9.222
209 HA3 GLY 31 1HA GLY 31 -9.471 -8.144 -7.867
210 H ARG 32 H ARG 32 -11.401 -8.870 -8.245
211 HA ARG 32 HA ARG 32 -13.282 -7.404 -9.900
212 HB2 ARG 32 2HB ARG 32 -12.351 -10.198 -10.609
213 HB3 ARG 32 1HB ARG 32 -13.754 -9.410 -11.317
214 HG2 ARG 32 2HG ARG 32 -10.920 -8.404 -11.525
215 HG3 ARG 32 1HG ARG 32 -11.768 -9.325 -12.768
216 HD2 ARG 32 2HD ARG 32 -13.263 -7.585 -13.205
217 HD3 ARG 32 1HD ARG 32 -12.909 -6.776 -11.680
218 HE ARG 32 HE ARG 32 -10.552 -6.610 -12.886
219 HH11 ARG 32 1HH1 ARG 32 -13.754 -6.034 -14.187
220 HH12 ARG 32 2HH1 ARG 32 -13.222 -4.768 -15.261
221 HH21 ARG 32 1HH2 ARG 32 -9.862 -4.963 -14.285
222 HH22 ARG 32 2HH2 ARG 32 -11.008 -4.147 -15.304
223 H GLY 33 H GLY 33 -15.457 -8.305 -9.791
224 HA2 GLY 33 2HA GLY 33 -17.214 -9.332 -8.737
225 HA3 GLY 33 1HA GLY 33 -16.074 -10.538 -8.164
226 H ASP 34 H ASP 34 -15.876 -10.700 -6.094
227 HA ASP 34 HA ASP 34 -16.896 -8.612 -4.333
228 HB2 ASP 34 2HB ASP 34 -17.636 -10.820 -3.809
229 HB3 ASP 34 1HB ASP 34 -16.008 -11.471 -3.923
230 H SER 35 H SER 35 -13.963 -9.860 -5.536
231 HA SER 35 HA SER 35 -12.343 -8.706 -3.401
232 HB2 SER 35 2HB SER 35 -11.846 -10.978 -4.358
233 HB3 SER 35 1HB SER 35 -11.460 -10.190 -5.887
234 HG SER 35 HG SER 35 -9.928 -8.904 -4.548
235 H LYS 36 H LYS 36 -13.900 -6.977 -5.090
236 HA LYS 36 HA LYS 36 -12.392 -5.953 -7.233
237 HB2 LYS 36 2HB LYS 36 -13.973 -3.926 -6.963
238 HB3 LYS 36 1HB LYS 36 -14.639 -5.477 -7.439
239 HG2 LYS 36 2HG LYS 36 -16.130 -4.535 -5.873
240 HG3 LYS 36 1HG LYS 36 -15.284 -5.824 -5.031
241 HD2 LYS 36 2HD LYS 36 -15.412 -3.972 -3.546
242 HD3 LYS 36 1HD LYS 36 -13.742 -4.076 -4.103
243 HE2 LYS 36 2HE LYS 36 -14.438 -1.772 -4.116
244 HE3 LYS 36 1HE LYS 36 -14.229 -2.322 -5.777
245 HZ1 LYS 36 3HZ LYS 36 -16.859 -2.249 -4.408
246 HZ2 LYS 36 1HZ LYS 36 -16.559 -2.478 -6.061
247 HZ3 LYS 36 2HZ LYS 36 -16.265 -0.965 -5.347
248 H ASN 37 H ASN 37 -12.280 -5.230 -3.838
249 HA ASN 37 HA ASN 37 -9.928 -3.616 -4.255
250 HB2 ASN 37 2HB ASN 37 -12.057 -2.114 -4.368
251 HB3 ASN 37 1HB ASN 37 -12.139 -2.376 -2.630
252 HD21 ASN 37 1HD2 ASN 37 -10.475 -1.575 -1.326
253 HD22 ASN 37 2HD2 ASN 37 -9.428 -0.315 -1.874
254 H GLN 38 H GLN 38 -8.796 -5.182 -3.010
255 HA GLN 38 HA GLN 38 -9.781 -5.583 -0.244
256 HB2 GLN 38 2HB GLN 38 -10.384 -7.518 -1.626
257 HB3 GLN 38 1HB GLN 38 -8.718 -7.690 -2.154
258 HG2 GLN 38 2HG GLN 38 -9.112 -9.350 -0.517
259 HG3 GLN 38 1HG GLN 38 -8.095 -8.119 0.229
260 HE21 GLN 38 1HE2 GLN 38 -11.518 -7.725 -0.325
261 HE22 GLN 38 2HE2 GLN 38 -11.980 -7.745 1.335
262 H CYS 39 H CYS 39 -8.276 -5.821 1.346
263 HA CYS 39 HA CYS 39 -5.564 -4.984 0.768
264 HB2 CYS 39 2HB CYS 39 -6.971 -5.543 3.374
265 HB3 CYS 39 1HB CYS 39 -5.336 -4.931 3.235
266 HG CYS 39 HG CYS 39 -8.148 -3.289 2.210
267 H VAL 40 H VAL 40 -4.247 -6.584 0.089
268 HA VAL 40 HA VAL 40 -4.246 -9.100 1.591
269 HB VAL 40 HB VAL 40 -4.286 -8.908 -0.984
270 HG11 VAL 40 1HG1 VAL 40 -2.494 -7.344 -1.296
271 HG12 VAL 40 2HG1 VAL 40 -2.054 -8.884 -2.034
272 HG13 VAL 40 3HG1 VAL 40 -1.360 -8.421 -0.481
273 HG21 VAL 40 3HG2 VAL 40 -4.033 -11.012 0.196
274 HG22 VAL 40 1HG2 VAL 40 -2.305 -10.717 0.397
275 HG23 VAL 40 2HG2 VAL 40 -2.975 -10.976 -1.215
276 H THR 41 H THR 41 -2.081 -9.939 2.248
277 HA THR 41 HA THR 41 -0.610 -7.749 3.455
278 HB THR 41 HB THR 41 0.632 -9.731 4.566
279 HG1 THR 41 HG1 THR 41 -1.346 -11.430 4.547
280 HG21 THR 41 3HG2 THR 41 -2.295 -9.235 5.114
281 HG22 THR 41 1HG2 THR 41 -0.947 -8.276 5.727
282 HG23 THR 41 2HG2 THR 41 -1.143 -9.952 6.242
283 H GLY 42 H GLY 42 1.291 -7.060 2.840
284 HA2 GLY 42 2HA GLY 42 3.381 -8.480 1.698
285 HA3 GLY 42 1HA GLY 42 2.412 -7.867 0.367
286 H GLU 43 H GLU 43 3.617 -6.252 -0.443
287 HA GLU 43 HA GLU 43 3.961 -3.950 1.309
288 HB2 GLU 43 2HB GLU 43 6.188 -3.456 0.241
289 HB3 GLU 43 1HB GLU 43 6.170 -4.813 1.352
290 HG2 GLU 43 2HG GLU 43 5.912 -5.221 -1.603
291 HG3 GLU 43 1HG GLU 43 7.483 -5.030 -0.830
292 H GLY 44 H GLY 44 2.762 -2.430 0.465
293 HA2 GLY 44 2HA GLY 44 2.228 -2.467 -2.408
294 HA3 GLY 44 1HA GLY 44 1.272 -1.647 -1.189
295 H THR 45 H THR 45 1.300 0.250 -2.392
296 HA THR 45 HA THR 45 3.794 1.773 -2.138
297 HB THR 45 HB THR 45 2.353 2.700 -4.430
298 HG1 THR 45 HG1 THR 45 2.328 -0.004 -4.160
299 HG21 THR 45 3HG2 THR 45 5.038 1.339 -4.194
300 HG22 THR 45 1HG2 THR 45 4.738 3.065 -4.001
301 HG23 THR 45 2HG2 THR 45 4.482 2.294 -5.568
302 HA PRO 46 HA PRO 46 1.092 4.793 -0.247
303 HB2 PRO 46 2HB PRO 46 3.058 6.716 -1.376
304 HB3 PRO 46 1HB PRO 46 2.495 6.541 0.288
305 HG2 PRO 46 2HG PRO 46 4.927 5.718 -0.418
306 HG3 PRO 46 1HG PRO 46 3.949 4.792 0.737
307 HD2 PRO 46 2HD PRO 46 4.483 4.253 -2.157
308 HD3 PRO 46 1HD PRO 46 4.360 3.113 -0.800
309 H LYS 47 H LYS 47 -0.637 5.881 -1.043
310 HA LYS 47 HA LYS 47 -0.877 6.013 -3.923
311 HB2 LYS 47 2HB LYS 47 -2.653 5.112 -2.279
312 HB3 LYS 47 1HB LYS 47 -2.981 6.801 -1.916
313 HG2 LYS 47 2HG LYS 47 -3.078 6.889 -4.587
314 HG3 LYS 47 1HG LYS 47 -3.593 5.228 -4.312
315 HD2 LYS 47 2HD LYS 47 -5.472 5.871 -3.110
316 HD3 LYS 47 1HD LYS 47 -4.812 7.473 -2.759
317 HE2 LYS 47 2HE LYS 47 -4.958 7.975 -5.193
318 HE3 LYS 47 1HE LYS 47 -5.796 6.444 -5.413
319 HZ1 LYS 47 3HZ LYS 47 -6.777 8.503 -3.531
320 HZ2 LYS 47 1HZ LYS 47 -7.621 7.183 -4.181
321 HZ3 LYS 47 2HZ LYS 47 -7.216 8.505 -5.167
322 HA PRO 48 HA PRO 48 0.422 10.285 -3.643
323 HB2 PRO 48 2HB PRO 48 -0.103 10.333 -6.531
324 HB3 PRO 48 1HB PRO 48 1.411 10.582 -5.657
325 HG2 PRO 48 2HG PRO 48 0.955 8.367 -7.121
326 HG3 PRO 48 1HG PRO 48 1.929 8.341 -5.639
327 HD2 PRO 48 2HD PRO 48 -0.920 7.503 -6.050
328 HD3 PRO 48 1HD PRO 48 0.357 6.725 -5.091
329 H GLN 49 H GLN 49 -0.537 12.218 -3.626
330 HA GLN 49 HA GLN 49 -3.175 12.563 -4.806
331 HB2 GLN 49 2HB GLN 49 -3.820 13.706 -2.545
332 HB3 GLN 49 1HB GLN 49 -4.000 11.967 -2.741
333 HG2 GLN 49 2HG GLN 49 -1.974 11.564 -1.546
334 HG3 GLN 49 1HG GLN 49 -1.606 13.285 -1.484
335 HE21 GLN 49 1HE2 GLN 49 -4.850 12.156 -1.040
336 HE22 GLN 49 2HE2 GLN 49 -4.952 12.486 0.656
337 H SER 50 H SER 50 -0.498 13.988 -3.008
338 HA SER 50 HA SER 50 -1.153 16.642 -3.958
339 HB2 SER 50 2HB SER 50 -0.244 16.143 -1.638
340 HB3 SER 50 1HB SER 50 1.295 15.763 -2.411
341 HG SER 50 HG SER 50 0.691 18.053 -1.594
342 H HIS 51 H HIS 51 0.894 17.895 -4.711
343 HA HIS 51 HA HIS 51 1.702 16.694 -7.216
344 HB2 HIS 51 2HB HIS 51 2.648 19.277 -6.023
345 HB3 HIS 51 1HB HIS 51 2.644 18.836 -7.729
346 HD1 HIS 51 HD1 HIS 51 0.859 20.925 -5.504
347 HD2 HIS 51 HD2 HIS 51 -0.270 18.323 -8.548
348 HE1 HIS 51 HE1 HIS 51 -1.472 21.616 -6.161
349 HE2 HIS 51 HE2 HIS 51 -2.211 19.878 -7.832
Start of MODEL 14
1 H1 VAL 1 1H VAL 1 -2.248 13.602 4.661
2 H2 VAL 1 2H VAL 1 -1.221 13.982 5.955
3 H3 VAL 1 3H VAL 1 -2.799 14.605 5.909
4 HA VAL 1 HA VAL 1 -2.143 11.727 6.071
5 HB VAL 1 HB VAL 1 -2.968 11.871 8.424
6 HG11 VAL 1 1HG1 VAL 1 -0.584 11.744 7.900
7 HG12 VAL 1 2HG1 VAL 1 -0.884 12.700 9.351
8 HG13 VAL 1 3HG1 VAL 1 -0.509 13.505 7.827
9 HG21 VAL 1 3HG2 VAL 1 -2.970 14.047 9.544
10 HG22 VAL 1 1HG2 VAL 1 -4.174 13.989 8.257
11 HG23 VAL 1 2HG2 VAL 1 -2.652 14.844 8.003
12 H VAL 2 H VAL 2 -4.042 13.341 4.433
13 HA VAL 2 HA VAL 2 -6.519 12.041 5.355
14 HB VAL 2 HB VAL 2 -6.259 14.618 3.784
15 HG11 VAL 2 1HG1 VAL 2 -8.684 14.726 3.830
16 HG12 VAL 2 2HG1 VAL 2 -8.758 13.181 4.679
17 HG13 VAL 2 3HG1 VAL 2 -8.158 13.250 3.022
18 HG21 VAL 2 3HG2 VAL 2 -7.306 14.070 6.560
19 HG22 VAL 2 1HG2 VAL 2 -7.358 15.629 5.737
20 HG23 VAL 2 2HG2 VAL 2 -5.805 14.903 6.155
21 H TYR 3 H TYR 3 -7.202 10.482 4.049
22 HA TYR 3 HA TYR 3 -5.983 10.331 1.376
23 HB2 TYR 3 2HB TYR 3 -6.798 8.022 3.155
24 HB3 TYR 3 1HB TYR 3 -5.966 7.911 1.606
25 HD1 TYR 3 HD2 TYR 3 -3.689 9.298 1.511
26 HD2 TYR 3 HD1 TYR 3 -5.531 7.873 5.071
27 HE1 TYR 3 HE2 TYR 3 -1.528 9.420 2.671
28 HE2 TYR 3 HE1 TYR 3 -3.371 7.992 6.239
29 HH TYR 3 HH TYR 3 -0.988 8.004 5.720
30 H THR 4 H THR 4 -7.275 8.545 0.095
31 HA THR 4 HA THR 4 -10.143 8.973 0.338
32 HB THR 4 HB THR 4 -10.063 9.147 -2.281
33 HG1 THR 4 HG1 THR 4 -7.869 10.720 -2.192
34 HG21 THR 4 3HG2 THR 4 -10.047 11.597 -2.125
35 HG22 THR 4 1HG2 THR 4 -9.349 11.488 -0.509
36 HG23 THR 4 2HG2 THR 4 -10.974 10.875 -0.812
37 H ASP 5 H ASP 5 -10.694 7.597 -2.153
38 HA ASP 5 HA ASP 5 -10.306 4.936 -1.070
39 HB2 ASP 5 2HB ASP 5 -11.804 5.802 -3.564
40 HB3 ASP 5 1HB ASP 5 -11.899 4.225 -2.793
41 H CYS 6 H CYS 6 -9.170 3.284 -2.070
42 HA CYS 6 HA CYS 6 -6.871 3.842 -3.464
43 HB2 CYS 6 2HB CYS 6 -8.409 1.260 -3.734
44 HB3 CYS 6 1HB CYS 6 -6.685 1.496 -3.958
45 HG CYS 6 HG CYS 6 -7.117 0.089 -1.589
46 H THR 7 H THR 7 -6.305 4.110 -5.478
47 HA THR 7 HA THR 7 -8.405 4.169 -7.533
48 HB THR 7 HB THR 7 -5.880 5.819 -7.472
49 HG1 THR 7 HG1 THR 7 -8.421 6.820 -6.703
50 HG21 THR 7 3HG2 THR 7 -7.137 7.291 -8.976
51 HG22 THR 7 1HG2 THR 7 -8.515 6.193 -8.897
52 HG23 THR 7 2HG2 THR 7 -7.006 5.662 -9.639
53 H GLU 8 H GLU 8 -5.653 2.632 -6.487
54 HA GLU 8 HA GLU 8 -5.009 1.564 -9.114
55 HB2 GLU 8 2HB GLU 8 -3.112 3.053 -7.319
56 HB3 GLU 8 1HB GLU 8 -2.528 1.877 -8.479
57 HG2 GLU 8 2HG GLU 8 -3.488 3.163 -10.297
58 HG3 GLU 8 1HG GLU 8 -4.164 4.314 -9.145
59 H SER 9 H SER 9 -3.943 -0.425 -9.050
60 HA SER 9 HA SER 9 -4.365 -1.907 -6.581
61 HB2 SER 9 2HB SER 9 -3.454 -2.882 -9.306
62 HB3 SER 9 1HB SER 9 -3.955 -3.893 -7.943
63 HG SER 9 HG SER 9 -5.516 -3.148 -9.776
64 H GLY 10 H GLY 10 -2.780 -2.483 -5.233
65 HA2 GLY 10 2HA GLY 10 -0.489 -3.078 -4.767
66 HA3 GLY 10 1HA GLY 10 0.008 -2.068 -6.122
67 H GLN 11 H GLN 11 -2.398 -0.441 -4.717
68 HA GLN 11 HA GLN 11 -0.591 1.301 -3.245
69 HB2 GLN 11 2HB GLN 11 -2.984 1.665 -4.734
70 HB3 GLN 11 1HB GLN 11 -3.331 2.128 -3.069
71 HG2 GLN 11 2HG GLN 11 -2.380 4.070 -3.470
72 HG3 GLN 11 1HG GLN 11 -0.843 3.241 -3.668
73 HE21 GLN 11 1HE2 GLN 11 -3.470 4.821 -5.231
74 HE22 GLN 11 2HE2 GLN 11 -2.784 4.826 -6.826
75 H ASN 12 H ASN 12 -1.352 2.128 -1.073
76 HA ASN 12 HA ASN 12 -2.995 0.177 0.336
77 HB2 ASN 12 2HB ASN 12 -1.358 0.278 2.277
78 HB3 ASN 12 1HB ASN 12 -0.972 -0.757 0.917
79 HD21 ASN 12 1HD2 ASN 12 1.165 -0.767 1.534
80 HD22 ASN 12 2HD2 ASN 12 2.222 0.575 1.237
81 H LEU 13 H LEU 13 -1.113 3.121 0.989
82 HA LEU 13 HA LEU 13 -2.703 4.081 3.087
83 HB2 LEU 13 2HB LEU 13 -0.853 5.471 1.172
84 HB3 LEU 13 1HB LEU 13 -1.663 6.324 2.473
85 HG LEU 13 HG LEU 13 0.134 3.944 2.927
86 HD11 LEU 13 1HD1 LEU 13 1.827 5.573 3.649
87 HD12 LEU 13 2HD1 LEU 13 0.789 6.885 3.090
88 HD13 LEU 13 3HD1 LEU 13 1.449 5.727 1.934
89 HD21 LEU 13 3HD2 LEU 13 -0.863 6.082 4.806
90 HD22 LEU 13 1HD2 LEU 13 0.143 4.696 5.226
91 HD23 LEU 13 2HD2 LEU 13 -1.520 4.452 4.692
92 H CYS 14 H CYS 14 -4.644 3.367 1.748
93 HA CYS 14 HA CYS 14 -6.154 5.734 1.102
94 HB2 CYS 14 2HB CYS 14 -6.938 4.530 -1.096
95 HB3 CYS 14 1HB CYS 14 -5.437 5.420 -1.103
96 HG CYS 14 HG CYS 14 -5.639 2.034 -0.718
97 H LEU 15 H LEU 15 -8.453 5.296 1.319
98 HA LEU 15 HA LEU 15 -8.978 3.026 3.000
99 HB2 LEU 15 2HB LEU 15 -11.475 3.938 2.465
100 HB3 LEU 15 1HB LEU 15 -10.450 4.533 3.748
101 HG LEU 15 HG LEU 15 -10.241 5.879 1.096
102 HD11 LEU 15 1HD1 LEU 15 -12.141 7.309 1.620
103 HD12 LEU 15 2HD1 LEU 15 -12.497 6.340 3.050
104 HD13 LEU 15 3HD1 LEU 15 -12.658 5.632 1.443
105 HD21 LEU 15 3HD2 LEU 15 -10.194 6.833 3.959
106 HD22 LEU 15 1HD2 LEU 15 -9.900 7.829 2.534
107 HD23 LEU 15 2HD2 LEU 15 -8.786 6.525 2.944
108 H CYS 16 H CYS 16 -8.539 1.281 1.824
109 HA CYS 16 HA CYS 16 -9.492 0.638 -0.727
110 HB2 CYS 16 2HB CYS 16 -7.628 -0.536 0.248
111 HB3 CYS 16 1HB CYS 16 -8.606 -1.066 1.603
112 HG CYS 16 HG CYS 16 -10.305 -2.405 -0.573
113 H GLU 17 H GLU 17 -10.449 -0.993 2.243
114 HA GLU 17 HA GLU 17 -13.096 -1.496 1.158
115 HB2 GLU 17 2HB GLU 17 -11.491 -3.115 2.496
116 HB3 GLU 17 1HB GLU 17 -12.188 -2.339 3.898
117 HG2 GLU 17 2HG GLU 17 -13.856 -3.647 1.767
118 HG3 GLU 17 1HG GLU 17 -13.212 -4.529 3.146
119 H GLY 18 H GLY 18 -14.973 -1.101 2.763
120 HA2 GLY 18 2HA GLY 18 -15.809 1.363 2.714
121 HA3 GLY 18 1HA GLY 18 -16.149 0.402 4.134
122 H SER 19 H SER 19 -14.492 0.565 5.921
123 HA SER 19 HA SER 19 -13.372 3.297 5.956
124 HB2 SER 19 2HB SER 19 -13.608 3.142 8.461
125 HB3 SER 19 1HB SER 19 -15.143 3.121 7.592
126 HG SER 19 HG SER 19 -15.519 1.203 8.354
127 H ASN 20 H ASN 20 -12.336 0.464 5.238
128 HA ASN 20 HA ASN 20 -10.143 0.146 7.087
129 HB2 ASN 20 2HB ASN 20 -10.755 -1.178 4.447
130 HB3 ASN 20 1HB ASN 20 -9.319 -1.524 5.397
131 HD21 ASN 20 1HD2 ASN 20 -12.425 -0.861 6.840
132 HD22 ASN 20 2HD2 ASN 20 -12.718 -2.462 7.403
133 H VAL 21 H VAL 21 -9.035 2.031 7.028
134 HA VAL 21 HA VAL 21 -7.958 2.996 4.504
135 HB VAL 21 HB VAL 21 -7.392 4.009 7.304
136 HG11 VAL 21 1HG1 VAL 21 -5.708 4.646 5.653
137 HG12 VAL 21 2HG1 VAL 21 -6.645 6.045 6.177
138 HG13 VAL 21 3HG1 VAL 21 -6.968 5.302 4.609
139 HG21 VAL 21 3HG2 VAL 21 -9.779 4.170 6.802
140 HG22 VAL 21 1HG2 VAL 21 -9.411 5.023 5.302
141 HG23 VAL 21 2HG2 VAL 21 -9.028 5.764 6.856
142 H CYS 22 H CYS 22 -6.490 1.595 3.777
143 HA CYS 22 HA CYS 22 -4.867 0.057 5.555
144 HB2 CYS 22 2HB CYS 22 -5.737 -0.142 2.867
145 HB3 CYS 22 1HB CYS 22 -3.977 -0.127 2.837
146 HG CYS 22 HG CYS 22 -5.348 -2.748 2.931
147 H GLY 23 H GLY 23 -2.539 -0.057 5.420
148 HA2 GLY 23 2HA GLY 23 -1.226 2.402 4.516
149 HA3 GLY 23 1HA GLY 23 -1.055 1.920 6.200
150 H GLN 24 H GLN 24 1.128 1.470 6.176
151 HA GLN 24 HA GLN 24 2.197 -0.123 4.001
152 HB2 GLN 24 2HB GLN 24 3.409 1.883 4.877
153 HB3 GLN 24 1HB GLN 24 3.648 1.021 6.391
154 HG2 GLN 24 2HG GLN 24 5.079 -0.552 5.396
155 HG3 GLN 24 1HG GLN 24 4.596 -0.083 3.767
156 HE21 GLN 24 1HE2 GLN 24 5.411 1.795 2.871
157 HE22 GLN 24 2HE2 GLN 24 6.793 2.611 3.521
158 H GLY 25 H GLY 25 2.920 -2.163 4.170
159 HA2 GLY 25 2HA GLY 25 3.377 -4.180 5.383
160 HA3 GLY 25 1HA GLY 25 2.341 -3.588 6.683
161 H ASN 26 H ASN 26 0.575 -2.588 4.371
162 HA ASN 26 HA ASN 26 -0.555 -5.175 3.537
163 HB2 ASN 26 2HB ASN 26 -2.022 -2.632 4.263
164 HB3 ASN 26 1HB ASN 26 -2.775 -4.007 3.462
165 HD21 ASN 26 1HD2 ASN 26 -1.488 -2.760 6.423
166 HD22 ASN 26 2HD2 ASN 26 -2.064 -4.036 7.446
167 H LYS 27 H LYS 27 -1.827 -4.981 1.514
168 HA LYS 27 HA LYS 27 -1.117 -2.750 -0.212
169 HB2 LYS 27 2HB LYS 27 0.737 -4.287 -0.547
170 HB3 LYS 27 1HB LYS 27 -0.374 -5.619 -0.818
171 HG2 LYS 27 2HG LYS 27 -1.004 -4.828 -2.917
172 HG3 LYS 27 1HG LYS 27 -0.403 -3.202 -2.584
173 HD2 LYS 27 2HD LYS 27 1.067 -4.396 -4.134
174 HD3 LYS 27 1HD LYS 27 1.889 -4.023 -2.616
175 HE2 LYS 27 2HE LYS 27 2.452 -6.267 -3.289
176 HE3 LYS 27 1HE LYS 27 1.434 -6.333 -1.852
177 HZ1 LYS 27 3HZ LYS 27 0.571 -6.830 -4.655
178 HZ2 LYS 27 1HZ LYS 27 -0.464 -6.806 -3.318
179 HZ3 LYS 27 2HZ LYS 27 0.734 -7.986 -3.424
180 H CYS 28 H CYS 28 -3.003 -2.181 -1.163
181 HA CYS 28 HA CYS 28 -5.161 -4.127 -1.291
182 HB2 CYS 28 2HB CYS 28 -5.837 -1.986 -0.456
183 HB3 CYS 28 1HB CYS 28 -5.056 -1.150 -1.791
184 HG CYS 28 HG CYS 28 -7.979 -2.888 -1.828
185 H ILE 29 H ILE 29 -5.855 -5.059 -3.130
186 HA ILE 29 HA ILE 29 -4.759 -4.038 -5.654
187 HB ILE 29 HB ILE 29 -4.684 -6.459 -6.434
188 HG12 ILE 29 2HG1 ILE 29 -4.675 -6.934 -3.445
189 HG13 ILE 29 1HG1 ILE 29 -5.967 -7.400 -4.548
190 HG21 ILE 29 1HG2 ILE 29 -2.747 -5.518 -4.323
191 HG22 ILE 29 2HG2 ILE 29 -2.689 -5.139 -6.045
192 HG23 ILE 29 3HG2 ILE 29 -2.436 -6.795 -5.497
193 HD11 ILE 29 3HD1 ILE 29 -3.146 -8.449 -4.583
194 HD12 ILE 29 1HD1 ILE 29 -4.435 -8.920 -5.691
195 HD13 ILE 29 2HD1 ILE 29 -4.567 -9.297 -3.973
196 H LEU 30 H LEU 30 -6.281 -3.495 -6.984
197 HA LEU 30 HA LEU 30 -8.979 -4.450 -6.615
198 HB2 LEU 30 2HB LEU 30 -7.804 -2.393 -8.499
199 HB3 LEU 30 1HB LEU 30 -9.502 -2.826 -8.461
200 HG LEU 30 HG LEU 30 -9.454 -2.098 -5.999
201 HD11 LEU 30 1HD1 LEU 30 -6.923 -0.771 -6.946
202 HD12 LEU 30 2HD1 LEU 30 -7.046 -2.017 -5.705
203 HD13 LEU 30 3HD1 LEU 30 -7.762 -0.427 -5.434
204 HD21 LEU 30 3HD2 LEU 30 -9.837 0.224 -6.597
205 HD22 LEU 30 1HD2 LEU 30 -10.560 -0.851 -7.795
206 HD23 LEU 30 2HD2 LEU 30 -9.041 -0.029 -8.151
207 H GLY 31 H GLY 31 -9.226 -6.466 -7.396
208 HA2 GLY 31 2HA GLY 31 -8.075 -7.073 -10.036
209 HA3 GLY 31 1HA GLY 31 -8.546 -8.269 -8.836
210 H ARG 32 H ARG 32 -10.365 -9.299 -9.229
211 HA ARG 32 HA ARG 32 -12.607 -7.958 -10.485
212 HB2 ARG 32 2HB ARG 32 -11.169 -10.232 -11.858
213 HB3 ARG 32 1HB ARG 32 -12.812 -9.754 -12.254
214 HG2 ARG 32 2HG ARG 32 -11.950 -7.492 -12.831
215 HG3 ARG 32 1HG ARG 32 -10.314 -8.102 -12.571
216 HD2 ARG 32 2HD ARG 32 -12.311 -9.101 -14.599
217 HD3 ARG 32 1HD ARG 32 -10.854 -8.165 -14.929
218 HE ARG 32 HE ARG 32 -9.707 -10.213 -13.832
219 HH11 ARG 32 1HH1 ARG 32 -12.517 -10.275 -15.935
220 HH12 ARG 32 2HH1 ARG 32 -12.199 -11.887 -16.517
221 HH21 ARG 32 1HH2 ARG 32 -9.294 -12.311 -14.580
222 HH22 ARG 32 2HH2 ARG 32 -10.365 -13.053 -15.730
223 H GLY 33 H GLY 33 -14.543 -9.262 -10.494
224 HA2 GLY 33 2HA GLY 33 -15.973 -10.888 -9.716
225 HA3 GLY 33 1HA GLY 33 -14.571 -11.866 -9.314
226 H ASP 34 H ASP 34 -14.525 -12.369 -7.251
227 HA ASP 34 HA ASP 34 -15.796 -10.644 -5.285
228 HB2 ASP 34 2HB ASP 34 -15.430 -12.473 -3.713
229 HB3 ASP 34 1HB ASP 34 -16.141 -13.107 -5.193
230 H SER 35 H SER 35 -12.881 -10.777 -6.749
231 HA SER 35 HA SER 35 -11.449 -9.765 -4.381
232 HB2 SER 35 2HB SER 35 -10.629 -11.976 -5.329
233 HB3 SER 35 1HB SER 35 -10.191 -11.101 -6.789
234 HG SER 35 HG SER 35 -9.096 -10.903 -4.191
235 H LYS 36 H LYS 36 -12.835 -7.872 -5.533
236 HA LYS 36 HA LYS 36 -11.177 -6.688 -7.633
237 HB2 LYS 36 2HB LYS 36 -13.149 -5.052 -7.837
238 HB3 LYS 36 1HB LYS 36 -13.359 -6.690 -8.430
239 HG2 LYS 36 2HG LYS 36 -15.348 -6.150 -7.320
240 HG3 LYS 36 1HG LYS 36 -14.472 -7.216 -6.225
241 HD2 LYS 36 2HD LYS 36 -15.446 -5.398 -4.981
242 HD3 LYS 36 1HD LYS 36 -13.692 -5.231 -4.977
243 HE2 LYS 36 2HE LYS 36 -14.741 -3.077 -5.330
244 HE3 LYS 36 1HE LYS 36 -13.859 -3.570 -6.774
245 HZ1 LYS 36 3HZ LYS 36 -15.806 -3.982 -7.925
246 HZ2 LYS 36 1HZ LYS 36 -16.194 -2.593 -7.036
247 HZ3 LYS 36 2HZ LYS 36 -16.755 -4.116 -6.524
248 H ASN 37 H ASN 37 -11.879 -6.395 -4.328
249 HA ASN 37 HA ASN 37 -10.126 -4.118 -4.088
250 HB2 ASN 37 2HB ASN 37 -12.319 -3.050 -4.435
251 HB3 ASN 37 1HB ASN 37 -12.996 -3.996 -3.115
252 HD21 ASN 37 1HD2 ASN 37 -10.912 -1.375 -3.989
253 HD22 ASN 37 2HD2 ASN 37 -10.786 -0.694 -2.412
254 H GLN 38 H GLN 38 -8.754 -5.469 -2.852
255 HA GLN 38 HA GLN 38 -9.771 -5.986 -0.161
256 HB2 GLN 38 2HB GLN 38 -10.172 -8.056 -1.467
257 HB3 GLN 38 1HB GLN 38 -8.450 -8.155 -1.799
258 HG2 GLN 38 2HG GLN 38 -9.116 -9.664 -0.009
259 HG3 GLN 38 1HG GLN 38 -7.983 -8.442 0.564
260 HE21 GLN 38 1HE2 GLN 38 -8.652 -8.761 2.695
261 HE22 GLN 38 2HE2 GLN 38 -10.172 -8.158 3.275
262 H CYS 39 H CYS 39 -8.262 -5.915 1.435
263 HA CYS 39 HA CYS 39 -5.635 -4.930 0.707
264 HB2 CYS 39 2HB CYS 39 -7.048 -5.178 3.353
265 HB3 CYS 39 1HB CYS 39 -5.424 -4.540 3.165
266 HG CYS 39 HG CYS 39 -7.824 -3.068 1.309
267 H VAL 40 H VAL 40 -4.405 -6.641 0.067
268 HA VAL 40 HA VAL 40 -4.230 -9.013 1.735
269 HB VAL 40 HB VAL 40 -4.222 -8.980 -0.819
270 HG11 VAL 40 1HG1 VAL 40 -1.362 -8.151 -0.383
271 HG12 VAL 40 2HG1 VAL 40 -2.622 -7.203 -1.171
272 HG13 VAL 40 3HG1 VAL 40 -2.052 -8.700 -1.909
273 HG21 VAL 40 3HG2 VAL 40 -3.713 -10.992 0.412
274 HG22 VAL 40 1HG2 VAL 40 -2.049 -10.464 0.655
275 HG23 VAL 40 2HG2 VAL 40 -2.621 -10.859 -0.966
276 H THR 41 H THR 41 -2.039 -9.757 2.445
277 HA THR 41 HA THR 41 -0.724 -7.504 3.713
278 HB THR 41 HB THR 41 0.560 -9.293 4.937
279 HG1 THR 41 HG1 THR 41 0.406 -11.055 3.589
280 HG21 THR 41 3HG2 THR 41 -1.431 -8.258 5.899
281 HG22 THR 41 1HG2 THR 41 -1.343 -9.964 6.335
282 HG23 THR 41 2HG2 THR 41 -2.454 -9.432 5.072
283 H GLY 42 H GLY 42 1.166 -6.702 3.198
284 HA2 GLY 42 2HA GLY 42 3.403 -7.934 2.207
285 HA3 GLY 42 1HA GLY 42 2.463 -7.513 0.783
286 H GLU 43 H GLU 43 3.536 -5.831 -0.082
287 HA GLU 43 HA GLU 43 3.813 -3.446 1.597
288 HB2 GLU 43 2HB GLU 43 5.952 -4.537 -0.247
289 HB3 GLU 43 1HB GLU 43 6.008 -2.958 0.526
290 HG2 GLU 43 2HG GLU 43 6.101 -3.965 2.703
291 HG3 GLU 43 1HG GLU 43 5.858 -5.569 2.015
292 H GLY 44 H GLY 44 2.444 -2.066 0.720
293 HA2 GLY 44 2HA GLY 44 2.000 -2.087 -2.165
294 HA3 GLY 44 1HA GLY 44 0.990 -1.303 -0.967
295 H THR 45 H THR 45 0.960 0.652 -2.015
296 HA THR 45 HA THR 45 3.361 2.278 -1.674
297 HB THR 45 HB THR 45 2.102 3.071 -4.127
298 HG1 THR 45 HG1 THR 45 1.889 0.512 -3.877
299 HG21 THR 45 3HG2 THR 45 4.837 1.912 -3.584
300 HG22 THR 45 1HG2 THR 45 4.396 3.614 -3.452
301 HG23 THR 45 2HG2 THR 45 4.361 2.814 -5.024
302 HA PRO 46 HA PRO 46 0.381 5.252 -0.159
303 HB2 PRO 46 2HB PRO 46 2.234 7.262 -1.323
304 HB3 PRO 46 1HB PRO 46 1.637 7.112 0.331
305 HG2 PRO 46 2HG PRO 46 4.143 6.461 -0.268
306 HG3 PRO 46 1HG PRO 46 3.207 5.496 0.889
307 HD2 PRO 46 2HD PRO 46 3.848 4.918 -1.979
308 HD3 PRO 46 1HD PRO 46 3.822 3.815 -0.587
309 H LYS 47 H LYS 47 -1.160 6.778 -0.989
310 HA LYS 47 HA LYS 47 -1.633 6.417 -3.817
311 HB2 LYS 47 2HB LYS 47 -3.225 7.150 -1.457
312 HB3 LYS 47 1HB LYS 47 -3.661 7.990 -2.928
313 HG2 LYS 47 2HG LYS 47 -3.351 5.271 -3.593
314 HG3 LYS 47 1HG LYS 47 -4.299 5.348 -2.117
315 HD2 LYS 47 2HD LYS 47 -4.915 6.718 -4.715
316 HD3 LYS 47 1HD LYS 47 -5.773 5.371 -4.018
317 HE2 LYS 47 2HE LYS 47 -6.726 6.667 -2.365
318 HE3 LYS 47 1HE LYS 47 -5.547 7.962 -2.537
319 HZ1 LYS 47 3HZ LYS 47 -7.685 7.257 -4.483
320 HZ2 LYS 47 1HZ LYS 47 -6.534 8.487 -4.702
321 HZ3 LYS 47 2HZ LYS 47 -7.675 8.605 -3.455
322 HA PRO 48 HA PRO 48 -0.028 10.417 -4.852
323 HB2 PRO 48 2HB PRO 48 -1.395 10.130 -7.394
324 HB3 PRO 48 1HB PRO 48 0.335 10.121 -7.056
325 HG2 PRO 48 2HG PRO 48 -1.082 7.920 -7.855
326 HG3 PRO 48 1HG PRO 48 0.416 7.846 -6.914
327 HD2 PRO 48 2HD PRO 48 -2.409 7.495 -6.009
328 HD3 PRO 48 1HD PRO 48 -0.922 6.713 -5.433
329 H GLN 49 H GLN 49 -0.743 12.405 -4.952
330 HA GLN 49 HA GLN 49 -3.606 12.902 -5.324
331 HB2 GLN 49 2HB GLN 49 -3.173 14.751 -3.494
332 HB3 GLN 49 1HB GLN 49 -3.593 13.107 -3.036
333 HG2 GLN 49 2HG GLN 49 -1.225 12.605 -2.710
334 HG3 GLN 49 1HG GLN 49 -0.822 14.265 -3.124
335 HE21 GLN 49 1HE2 GLN 49 -3.221 15.274 -1.706
336 HE22 GLN 49 2HE2 GLN 49 -2.833 15.185 -0.021
337 H SER 50 H SER 50 -0.309 14.102 -5.271
338 HA SER 50 HA SER 50 -1.003 16.366 -6.957
339 HB2 SER 50 2HB SER 50 1.693 15.378 -5.976
340 HB3 SER 50 1HB SER 50 1.408 16.892 -6.838
341 HG SER 50 HG SER 50 0.392 17.725 -5.104
342 H HIS 51 H HIS 51 -1.360 15.992 -9.015
343 HA HIS 51 HA HIS 51 -0.378 13.625 -10.353
344 HB2 HIS 51 2HB HIS 51 -1.813 15.997 -11.554
345 HB3 HIS 51 1HB HIS 51 -1.642 14.402 -12.263
346 HD1 HIS 51 HD1 HIS 51 -3.459 16.173 -9.455
347 HD2 HIS 51 HD2 HIS 51 -3.568 12.575 -11.537
348 HE1 HIS 51 HE1 HIS 51 -5.574 15.028 -8.718
349 HE2 HIS 51 HE2 HIS 51 -5.738 12.985 -10.189
Start of MODEL 15
1 H1 VAL 1 1H VAL 1 -4.522 15.824 7.737
2 H2 VAL 1 2H VAL 1 -4.341 14.982 9.193
3 H3 VAL 1 3H VAL 1 -5.832 14.970 8.384
4 HA VAL 1 HA VAL 1 -3.304 13.802 7.374
5 HB VAL 1 HB VAL 1 -4.420 11.627 7.615
6 HG11 VAL 1 1HG1 VAL 1 -4.285 11.438 10.057
7 HG12 VAL 1 2HG1 VAL 1 -4.276 13.196 10.182
8 HG13 VAL 1 3HG1 VAL 1 -2.940 12.363 9.387
9 HG21 VAL 1 3HG2 VAL 1 -6.738 12.389 7.477
10 HG22 VAL 1 1HG2 VAL 1 -6.584 13.159 9.055
11 HG23 VAL 1 2HG2 VAL 1 -6.473 11.404 8.915
12 H VAL 2 H VAL 2 -3.488 12.719 5.374
13 HA VAL 2 HA VAL 2 -5.872 13.477 3.805
14 HB VAL 2 HB VAL 2 -3.056 13.279 2.715
15 HG11 VAL 2 1HG1 VAL 2 -4.026 14.382 0.746
16 HG12 VAL 2 2HG1 VAL 2 -5.615 14.325 1.508
17 HG13 VAL 2 3HG1 VAL 2 -4.792 12.829 1.076
18 HG21 VAL 2 3HG2 VAL 2 -3.095 15.727 2.569
19 HG22 VAL 2 1HG2 VAL 2 -3.196 15.170 4.240
20 HG23 VAL 2 2HG2 VAL 2 -4.644 15.747 3.414
21 H TYR 3 H TYR 3 -6.977 11.710 3.286
22 HA TYR 3 HA TYR 3 -5.523 9.464 2.110
23 HB2 TYR 3 2HB TYR 3 -7.745 9.107 4.137
24 HB3 TYR 3 1HB TYR 3 -6.989 7.825 3.209
25 HD1 TYR 3 HD1 TYR 3 -4.654 7.164 3.672
26 HD2 TYR 3 HD2 TYR 3 -6.692 9.991 6.116
27 HE1 TYR 3 HE1 TYR 3 -2.968 6.847 5.429
28 HE2 TYR 3 HE2 TYR 3 -5.013 9.672 7.885
29 HH TYR 3 HH TYR 3 -3.391 7.965 8.601
30 H THR 4 H THR 4 -6.795 8.227 0.668
31 HA THR 4 HA THR 4 -9.416 9.248 -0.082
32 HB THR 4 HB THR 4 -8.666 9.164 -2.537
33 HG1 THR 4 HG1 THR 4 -6.100 9.529 -1.325
34 HG21 THR 4 3HG2 THR 4 -9.197 11.269 -1.413
35 HG22 THR 4 1HG2 THR 4 -7.832 11.468 -2.514
36 HG23 THR 4 2HG2 THR 4 -7.553 11.354 -0.775
37 H ASP 5 H ASP 5 -10.014 7.736 -2.232
38 HA ASP 5 HA ASP 5 -9.888 5.030 -1.143
39 HB2 ASP 5 2HB ASP 5 -11.220 5.041 -3.656
40 HB3 ASP 5 1HB ASP 5 -11.939 4.879 -2.059
41 H CYS 6 H CYS 6 -8.915 3.287 -2.186
42 HA CYS 6 HA CYS 6 -6.585 3.807 -3.648
43 HB2 CYS 6 2HB CYS 6 -8.056 1.183 -3.728
44 HB3 CYS 6 1HB CYS 6 -6.323 1.471 -3.851
45 HG CYS 6 HG CYS 6 -6.601 2.624 -1.052
46 H THR 7 H THR 7 -6.093 3.822 -5.797
47 HA THR 7 HA THR 7 -8.364 3.520 -7.643
48 HB THR 7 HB THR 7 -7.447 5.866 -7.240
49 HG1 THR 7 HG1 THR 7 -7.213 5.198 -9.978
50 HG21 THR 7 3HG2 THR 7 -5.071 5.349 -7.271
51 HG22 THR 7 1HG2 THR 7 -5.469 6.504 -8.543
52 HG23 THR 7 2HG2 THR 7 -5.194 4.808 -8.943
53 H GLU 8 H GLU 8 -5.089 2.672 -6.936
54 HA GLU 8 HA GLU 8 -4.909 1.176 -9.453
55 HB2 GLU 8 2HB GLU 8 -3.157 3.164 -8.378
56 HB3 GLU 8 1HB GLU 8 -2.319 1.622 -8.397
57 HG2 GLU 8 2HG GLU 8 -1.841 2.741 -10.412
58 HG3 GLU 8 1HG GLU 8 -2.916 1.405 -10.797
59 H SER 9 H SER 9 -3.649 -0.771 -9.304
60 HA SER 9 HA SER 9 -4.143 -2.119 -6.777
61 HB2 SER 9 2HB SER 9 -3.192 -3.222 -9.440
62 HB3 SER 9 1HB SER 9 -3.703 -4.175 -8.041
63 HG SER 9 HG SER 9 -5.200 -3.054 -9.982
64 H GLY 10 H GLY 10 -2.585 -2.237 -5.314
65 HA2 GLY 10 2HA GLY 10 -0.241 -2.927 -4.903
66 HA3 GLY 10 1HA GLY 10 0.199 -1.893 -6.253
67 H GLN 11 H GLN 11 -2.218 -0.299 -4.749
68 HA GLN 11 HA GLN 11 -0.353 1.374 -3.249
69 HB2 GLN 11 2HB GLN 11 -3.003 1.751 -4.453
70 HB3 GLN 11 1HB GLN 11 -2.857 2.477 -2.853
71 HG2 GLN 11 2HG GLN 11 -1.910 4.214 -3.850
72 HG3 GLN 11 1HG GLN 11 -0.511 3.182 -4.121
73 HE21 GLN 11 1HE2 GLN 11 -3.221 4.740 -5.532
74 HE22 GLN 11 2HE2 GLN 11 -2.805 4.425 -7.181
75 H ASN 12 H ASN 12 -1.287 2.226 -1.047
76 HA ASN 12 HA ASN 12 -2.762 0.147 0.345
77 HB2 ASN 12 2HB ASN 12 -1.059 0.251 2.253
78 HB3 ASN 12 1HB ASN 12 -0.702 -0.746 0.855
79 HD21 ASN 12 1HD2 ASN 12 1.460 -0.692 1.494
80 HD22 ASN 12 2HD2 ASN 12 2.473 0.671 1.161
81 H LEU 13 H LEU 13 -0.952 3.121 0.994
82 HA LEU 13 HA LEU 13 -2.410 3.946 3.239
83 HB2 LEU 13 2HB LEU 13 -0.747 5.481 1.254
84 HB3 LEU 13 1HB LEU 13 -1.439 6.222 2.684
85 HG LEU 13 HG LEU 13 0.412 3.849 2.828
86 HD11 LEU 13 1HD1 LEU 13 1.562 5.696 1.704
87 HD12 LEU 13 2HD1 LEU 13 2.209 5.416 3.321
88 HD13 LEU 13 3HD1 LEU 13 1.122 6.774 3.030
89 HD21 LEU 13 3HD2 LEU 13 -0.345 5.940 4.865
90 HD22 LEU 13 1HD2 LEU 13 0.690 4.540 5.130
91 HD23 LEU 13 2HD2 LEU 13 -1.025 4.315 4.784
92 H CYS 14 H CYS 14 -4.481 3.275 1.955
93 HA CYS 14 HA CYS 14 -5.930 5.728 1.443
94 HB2 CYS 14 2HB CYS 14 -6.868 4.484 -0.716
95 HB3 CYS 14 1HB CYS 14 -5.452 5.522 -0.801
96 HG CYS 14 HG CYS 14 -4.584 2.418 -0.069
97 H LEU 15 H LEU 15 -8.284 5.362 1.449
98 HA LEU 15 HA LEU 15 -9.059 3.139 3.084
99 HB2 LEU 15 2HB LEU 15 -11.431 4.092 2.086
100 HB3 LEU 15 1HB LEU 15 -10.665 4.610 3.571
101 HG LEU 15 HG LEU 15 -9.934 6.033 1.051
102 HD11 LEU 15 1HD1 LEU 15 -11.852 7.525 1.310
103 HD12 LEU 15 2HD1 LEU 15 -12.483 6.495 2.595
104 HD13 LEU 15 3HD1 LEU 15 -12.373 5.879 0.946
105 HD21 LEU 15 3HD2 LEU 15 -9.793 7.926 2.592
106 HD22 LEU 15 1HD2 LEU 15 -8.807 6.575 3.146
107 HD23 LEU 15 2HD2 LEU 15 -10.362 6.902 3.907
108 H CYS 16 H CYS 16 -8.922 1.226 2.251
109 HA CYS 16 HA CYS 16 -9.397 0.755 -0.554
110 HB2 CYS 16 2HB CYS 16 -7.413 -0.219 0.382
111 HB3 CYS 16 1HB CYS 16 -8.330 -0.948 1.687
112 HG CYS 16 HG CYS 16 -7.851 -3.142 0.323
113 H GLU 17 H GLU 17 -10.225 -1.162 2.299
114 HA GLU 17 HA GLU 17 -12.731 -1.988 1.134
115 HB2 GLU 17 2HB GLU 17 -11.308 -3.438 2.642
116 HB3 GLU 17 1HB GLU 17 -11.760 -2.381 3.969
117 HG2 GLU 17 2HG GLU 17 -13.080 -4.459 3.878
118 HG3 GLU 17 1HG GLU 17 -14.059 -2.998 3.774
119 H GLY 18 H GLY 18 -14.776 -1.636 2.266
120 HA2 GLY 18 2HA GLY 18 -16.073 0.502 2.235
121 HA3 GLY 18 1HA GLY 18 -16.147 -0.324 3.775
122 H SER 19 H SER 19 -14.656 0.417 5.472
123 HA SER 19 HA SER 19 -13.888 3.238 5.084
124 HB2 SER 19 2HB SER 19 -14.340 3.445 7.589
125 HB3 SER 19 1HB SER 19 -15.757 3.274 6.551
126 HG SER 19 HG SER 19 -16.037 1.224 7.230
127 H ASN 20 H ASN 20 -12.463 0.483 5.036
128 HA ASN 20 HA ASN 20 -10.573 0.743 7.224
129 HB2 ASN 20 2HB ASN 20 -10.722 -1.191 4.911
130 HB3 ASN 20 1HB ASN 20 -9.447 -1.219 6.118
131 HD21 ASN 20 1HD2 ASN 20 -12.764 -0.439 6.882
132 HD22 ASN 20 2HD2 ASN 20 -13.096 -1.881 7.773
133 H VAL 21 H VAL 21 -9.141 2.339 7.061
134 HA VAL 21 HA VAL 21 -7.980 2.989 4.465
135 HB VAL 21 HB VAL 21 -7.276 4.317 7.079
136 HG11 VAL 21 1HG1 VAL 21 -6.685 6.187 5.633
137 HG12 VAL 21 2HG1 VAL 21 -7.145 5.238 4.219
138 HG13 VAL 21 3HG1 VAL 21 -5.782 4.730 5.218
139 HG21 VAL 21 3HG2 VAL 21 -9.518 5.045 5.197
140 HG22 VAL 21 1HG2 VAL 21 -8.956 6.033 6.546
141 HG23 VAL 21 2HG2 VAL 21 -9.694 4.462 6.851
142 H CYS 22 H CYS 22 -6.426 1.640 3.873
143 HA CYS 22 HA CYS 22 -4.886 0.226 5.848
144 HB2 CYS 22 2HB CYS 22 -5.458 -0.056 2.973
145 HB3 CYS 22 1HB CYS 22 -3.839 -0.543 3.459
146 HG CYS 22 HG CYS 22 -4.499 -2.646 4.938
147 H GLY 23 H GLY 23 -2.522 -0.097 5.427
148 HA2 GLY 23 2HA GLY 23 -1.162 2.286 4.453
149 HA3 GLY 23 1HA GLY 23 -0.925 1.847 6.139
150 H GLN 24 H GLN 24 1.265 1.351 5.964
151 HA GLN 24 HA GLN 24 2.094 -0.381 3.783
152 HB2 GLN 24 2HB GLN 24 3.637 1.135 5.888
153 HB3 GLN 24 1HB GLN 24 4.404 0.014 4.767
154 HG2 GLN 24 2HG GLN 24 3.540 1.330 2.887
155 HG3 GLN 24 1HG GLN 24 2.834 2.471 4.028
156 HE21 GLN 24 1HE2 GLN 24 4.873 2.777 1.926
157 HE22 GLN 24 2HE2 GLN 24 6.233 3.501 2.710
158 H GLY 25 H GLY 25 2.846 -2.413 3.996
159 HA2 GLY 25 2HA GLY 25 3.224 -4.401 5.330
160 HA3 GLY 25 1HA GLY 25 2.148 -3.717 6.550
161 H ASN 26 H ASN 26 0.508 -2.684 4.232
162 HA ASN 26 HA ASN 26 -0.730 -5.207 3.354
163 HB2 ASN 26 2HB ASN 26 -2.003 -2.525 3.920
164 HB3 ASN 26 1HB ASN 26 -2.811 -3.790 3.009
165 HD21 ASN 26 1HD2 ASN 26 -0.749 -4.319 5.812
166 HD22 ASN 26 2HD2 ASN 26 -2.007 -4.898 6.847
167 H LYS 27 H LYS 27 -1.720 -5.093 1.203
168 HA LYS 27 HA LYS 27 -0.934 -2.847 -0.472
169 HB2 LYS 27 2HB LYS 27 0.870 -4.468 -0.791
170 HB3 LYS 27 1HB LYS 27 -0.301 -5.727 -1.157
171 HG2 LYS 27 2HG LYS 27 -0.723 -4.924 -3.250
172 HG3 LYS 27 1HG LYS 27 -0.344 -3.259 -2.809
173 HD2 LYS 27 2HD LYS 27 1.365 -4.071 -4.283
174 HD3 LYS 27 1HD LYS 27 2.048 -3.894 -2.666
175 HE2 LYS 27 2HE LYS 27 2.851 -5.947 -3.552
176 HE3 LYS 27 1HE LYS 27 1.645 -6.344 -2.332
177 HZ1 LYS 27 3HZ LYS 27 0.973 -6.181 -5.211
178 HZ2 LYS 27 1HZ LYS 27 0.091 -6.922 -3.969
179 HZ3 LYS 27 2HZ LYS 27 1.544 -7.610 -4.500
180 H CYS 28 H CYS 28 -2.735 -2.188 -1.455
181 HA CYS 28 HA CYS 28 -5.045 -3.949 -1.559
182 HB2 CYS 28 2HB CYS 28 -5.440 -1.733 -0.694
183 HB3 CYS 28 1HB CYS 28 -4.697 -0.997 -2.108
184 HG CYS 28 HG CYS 28 -7.761 -1.230 -1.680
185 H ILE 29 H ILE 29 -5.869 -4.810 -3.356
186 HA ILE 29 HA ILE 29 -4.805 -3.945 -5.950
187 HB ILE 29 HB ILE 29 -5.019 -6.427 -6.618
188 HG12 ILE 29 2HG1 ILE 29 -4.666 -6.715 -3.632
189 HG13 ILE 29 1HG1 ILE 29 -6.135 -7.119 -4.513
190 HG21 ILE 29 1HG2 ILE 29 -2.795 -5.490 -4.807
191 HG22 ILE 29 2HG2 ILE 29 -2.906 -5.237 -6.548
192 HG23 ILE 29 3HG2 ILE 29 -2.706 -6.867 -5.906
193 HD11 ILE 29 3HD1 ILE 29 -4.832 -9.104 -4.001
194 HD12 ILE 29 1HD1 ILE 29 -3.450 -8.434 -4.869
195 HD13 ILE 29 2HD1 ILE 29 -4.927 -8.843 -5.743
196 H LEU 30 H LEU 30 -6.286 -3.495 -7.365
197 HA LEU 30 HA LEU 30 -9.075 -4.030 -6.808
198 HB2 LEU 30 2HB LEU 30 -7.713 -2.382 -8.943
199 HB3 LEU 30 1HB LEU 30 -9.447 -2.560 -8.810
200 HG LEU 30 HG LEU 30 -9.253 -1.526 -6.502
201 HD11 LEU 30 1HD1 LEU 30 -7.285 -0.143 -6.088
202 HD12 LEU 30 2HD1 LEU 30 -6.504 -0.836 -7.510
203 HD13 LEU 30 3HD1 LEU 30 -6.890 -1.860 -6.126
204 HD21 LEU 30 3HD2 LEU 30 -9.167 0.733 -7.387
205 HD22 LEU 30 1HD2 LEU 30 -10.090 -0.326 -8.451
206 HD23 LEU 30 2HD2 LEU 30 -8.442 0.136 -8.880
207 H GLY 31 H GLY 31 -10.073 -5.720 -7.631
208 HA2 GLY 31 2HA GLY 31 -9.485 -6.518 -10.387
209 HA3 GLY 31 1HA GLY 31 -9.498 -7.749 -9.128
210 H ARG 32 H ARG 32 -11.332 -8.802 -8.935
211 HA ARG 32 HA ARG 32 -13.879 -7.435 -9.227
212 HB2 ARG 32 2HB ARG 32 -13.411 -9.957 -10.813
213 HB3 ARG 32 1HB ARG 32 -14.784 -8.868 -10.896
214 HG2 ARG 32 2HG ARG 32 -13.162 -7.140 -11.807
215 HG3 ARG 32 1HG ARG 32 -12.021 -8.475 -11.992
216 HD2 ARG 32 2HD ARG 32 -14.656 -8.044 -13.360
217 HD3 ARG 32 1HD ARG 32 -13.069 -8.309 -14.075
218 HE ARG 32 HE ARG 32 -14.137 -10.517 -12.515
219 HH11 ARG 32 1HH1 ARG 32 -13.608 -9.126 -15.686
220 HH12 ARG 32 2HH1 ARG 32 -14.052 -10.574 -16.535
221 HH21 ARG 32 1HH2 ARG 32 -14.700 -12.432 -13.624
222 HH22 ARG 32 2HH2 ARG 32 -14.670 -12.456 -15.366
223 H GLY 33 H GLY 33 -15.695 -9.041 -8.750
224 HA2 GLY 33 2HA GLY 33 -16.658 -10.636 -7.417
225 HA3 GLY 33 1HA GLY 33 -15.152 -11.532 -7.548
226 H ASP 34 H ASP 34 -14.160 -11.918 -5.737
227 HA ASP 34 HA ASP 34 -14.886 -10.453 -3.323
228 HB2 ASP 34 2HB ASP 34 -13.023 -12.825 -3.661
229 HB3 ASP 34 1HB ASP 34 -13.640 -12.193 -2.139
230 H SER 35 H SER 35 -12.541 -10.423 -5.723
231 HA SER 35 HA SER 35 -10.513 -9.188 -3.994
232 HB2 SER 35 2HB SER 35 -9.874 -11.162 -5.417
233 HB3 SER 35 1HB SER 35 -10.231 -10.190 -6.842
234 HG SER 35 HG SER 35 -8.653 -8.646 -5.753
235 H LYS 36 H LYS 36 -12.948 -7.878 -4.878
236 HA LYS 36 HA LYS 36 -12.758 -6.295 -7.120
237 HB2 LYS 36 2HB LYS 36 -14.184 -4.663 -5.598
238 HB3 LYS 36 1HB LYS 36 -14.838 -6.179 -6.197
239 HG2 LYS 36 2HG LYS 36 -14.850 -7.155 -4.139
240 HG3 LYS 36 1HG LYS 36 -13.484 -6.220 -3.551
241 HD2 LYS 36 2HD LYS 36 -14.972 -4.209 -3.556
242 HD3 LYS 36 1HD LYS 36 -16.316 -5.288 -3.924
243 HE2 LYS 36 2HE LYS 36 -16.259 -4.829 -1.546
244 HE3 LYS 36 1HE LYS 36 -15.871 -6.523 -1.841
245 HZ1 LYS 36 3HZ LYS 36 -14.428 -5.429 -0.166
246 HZ2 LYS 36 1HZ LYS 36 -13.842 -4.399 -1.376
247 HZ3 LYS 36 2HZ LYS 36 -13.563 -6.071 -1.470
248 H ASN 37 H ASN 37 -11.903 -5.270 -3.846
249 HA ASN 37 HA ASN 37 -9.751 -3.603 -4.738
250 HB2 ASN 37 2HB ASN 37 -11.926 -2.222 -4.927
251 HB3 ASN 37 1HB ASN 37 -12.027 -2.344 -3.177
252 HD21 ASN 37 1HD2 ASN 37 -10.384 -1.335 -1.918
253 HD22 ASN 37 2HD2 ASN 37 -9.485 -0.008 -2.562
254 H GLN 38 H GLN 38 -8.653 -5.213 -3.411
255 HA GLN 38 HA GLN 38 -9.646 -5.381 -0.637
256 HB2 GLN 38 2HB GLN 38 -9.762 -7.332 -2.511
257 HB3 GLN 38 1HB GLN 38 -8.227 -7.705 -1.749
258 HG2 GLN 38 2HG GLN 38 -10.133 -8.922 -0.771
259 HG3 GLN 38 1HG GLN 38 -9.281 -7.911 0.395
260 HE21 GLN 38 1HE2 GLN 38 -10.336 -6.201 1.335
261 HE22 GLN 38 2HE2 GLN 38 -12.031 -5.878 1.112
262 H CYS 39 H CYS 39 -8.178 -5.765 1.021
263 HA CYS 39 HA CYS 39 -5.488 -4.786 0.492
264 HB2 CYS 39 2HB CYS 39 -6.986 -5.218 3.066
265 HB3 CYS 39 1HB CYS 39 -5.360 -4.570 2.953
266 HG CYS 39 HG CYS 39 -6.976 -2.423 3.494
267 H VAL 40 H VAL 40 -4.322 -6.520 -0.232
268 HA VAL 40 HA VAL 40 -4.294 -8.959 1.359
269 HB VAL 40 HB VAL 40 -4.163 -8.762 -1.238
270 HG11 VAL 40 1HG1 VAL 40 -1.271 -8.343 -0.515
271 HG12 VAL 40 2HG1 VAL 40 -2.318 -7.213 -1.374
272 HG13 VAL 40 3HG1 VAL 40 -1.872 -8.747 -2.123
273 HG21 VAL 40 3HG2 VAL 40 -2.848 -10.844 -1.355
274 HG22 VAL 40 1HG2 VAL 40 -4.051 -10.867 -0.066
275 HG23 VAL 40 2HG2 VAL 40 -2.351 -10.600 0.318
276 H THR 41 H THR 41 -2.084 -9.781 2.074
277 HA THR 41 HA THR 41 -0.802 -7.555 3.418
278 HB THR 41 HB THR 41 0.462 -9.440 4.604
279 HG1 THR 41 HG1 THR 41 -0.868 -11.447 4.513
280 HG21 THR 41 3HG2 THR 41 -2.534 -9.175 4.858
281 HG22 THR 41 1HG2 THR 41 -1.317 -8.192 5.671
282 HG23 THR 41 2HG2 THR 41 -1.480 -9.902 6.070
283 H GLY 42 H GLY 42 1.038 -6.721 2.934
284 HA2 GLY 42 2HA GLY 42 3.345 -7.961 2.018
285 HA3 GLY 42 1HA GLY 42 2.464 -7.436 0.585
286 H GLU 43 H GLU 43 3.624 -5.692 -0.100
287 HA GLU 43 HA GLU 43 3.437 -3.366 1.645
288 HB2 GLU 43 2HB GLU 43 6.026 -4.258 0.372
289 HB3 GLU 43 1HB GLU 43 5.755 -2.632 0.987
290 HG2 GLU 43 2HG GLU 43 5.087 -3.910 3.177
291 HG3 GLU 43 1HG GLU 43 6.066 -5.194 2.470
292 H GLY 44 H GLY 44 2.254 -2.012 0.563
293 HA2 GLY 44 2HA GLY 44 2.171 -2.098 -2.332
294 HA3 GLY 44 1HA GLY 44 1.081 -1.215 -1.283
295 H THR 45 H THR 45 1.161 0.781 -2.107
296 HA THR 45 HA THR 45 3.658 2.270 -1.896
297 HB THR 45 HB THR 45 2.344 3.127 -4.295
298 HG1 THR 45 HG1 THR 45 2.074 0.543 -4.009
299 HG21 THR 45 3HG2 THR 45 4.567 2.652 -5.292
300 HG22 THR 45 1HG2 THR 45 5.044 1.877 -3.780
301 HG23 THR 45 2HG2 THR 45 4.662 3.600 -3.809
302 HA PRO 46 HA PRO 46 0.922 5.459 -0.356
303 HB2 PRO 46 2HB PRO 46 2.751 7.353 -1.719
304 HB3 PRO 46 1HB PRO 46 2.276 7.278 -0.019
305 HG2 PRO 46 2HG PRO 46 4.714 6.517 -0.801
306 HG3 PRO 46 1HG PRO 46 3.850 5.656 0.486
307 HD2 PRO 46 2HD PRO 46 4.245 4.888 -2.378
308 HD3 PRO 46 1HD PRO 46 4.271 3.870 -0.922
309 H LYS 47 H LYS 47 -0.869 6.388 -1.189
310 HA LYS 47 HA LYS 47 -1.206 6.262 -4.063
311 HB2 LYS 47 2HB LYS 47 -2.843 5.342 -2.320
312 HB3 LYS 47 1HB LYS 47 -3.289 7.019 -2.022
313 HG2 LYS 47 2HG LYS 47 -3.442 6.869 -4.732
314 HG3 LYS 47 1HG LYS 47 -3.954 5.259 -4.239
315 HD2 LYS 47 2HD LYS 47 -5.775 6.057 -3.051
316 HD3 LYS 47 1HD LYS 47 -5.093 7.679 -2.910
317 HE2 LYS 47 2HE LYS 47 -5.327 7.850 -5.419
318 HE3 LYS 47 1HE LYS 47 -6.265 6.364 -5.351
319 HZ1 LYS 47 3HZ LYS 47 -7.584 8.464 -5.343
320 HZ2 LYS 47 1HZ LYS 47 -6.970 8.790 -3.802
321 HZ3 LYS 47 2HZ LYS 47 -7.922 7.411 -4.067
322 HA PRO 48 HA PRO 48 -0.745 10.708 -4.598
323 HB2 PRO 48 2HB PRO 48 -2.279 10.178 -7.073
324 HB3 PRO 48 1HB PRO 48 -0.696 10.936 -6.871
325 HG2 PRO 48 2HG PRO 48 -0.926 8.469 -7.873
326 HG3 PRO 48 1HG PRO 48 0.415 8.902 -6.794
327 HD2 PRO 48 2HD PRO 48 -2.092 7.378 -6.184
328 HD3 PRO 48 1HD PRO 48 -0.430 7.083 -5.631
329 H GLN 49 H GLN 49 -2.049 12.479 -4.362
330 HA GLN 49 HA GLN 49 -4.860 12.498 -4.405
331 HB2 GLN 49 2HB GLN 49 -5.158 12.419 -1.871
332 HB3 GLN 49 1HB GLN 49 -4.943 10.900 -2.720
333 HG2 GLN 49 2HG GLN 49 -2.612 10.847 -2.086
334 HG3 GLN 49 1HG GLN 49 -2.786 12.386 -1.254
335 HE21 GLN 49 1HE2 GLN 49 -2.131 11.469 0.685
336 HE22 GLN 49 2HE2 GLN 49 -3.168 10.448 1.618
337 H SER 50 H SER 50 -1.850 13.715 -3.459
338 HA SER 50 HA SER 50 -2.939 16.139 -2.260
339 HB2 SER 50 2HB SER 50 -0.070 15.317 -2.781
340 HB3 SER 50 1HB SER 50 -0.579 16.734 -1.869
341 HG SER 50 HG SER 50 -0.303 14.198 -1.029
342 H HIS 51 H HIS 51 -4.045 16.465 -4.407
343 HA HIS 51 HA HIS 51 -2.375 17.369 -6.589
344 HB2 HIS 51 2HB HIS 51 -5.354 17.364 -6.197
345 HB3 HIS 51 1HB HIS 51 -4.574 17.968 -7.645
346 HD1 HIS 51 HD1 HIS 51 -3.699 16.282 -9.327
347 HD2 HIS 51 HD2 HIS 51 -5.303 14.533 -5.908
348 HE1 HIS 51 HE1 HIS 51 -3.894 13.825 -9.846
349 HE2 HIS 51 HE2 HIS 51 -5.038 12.819 -7.835
Start of MODEL 16
1 H1 VAL 1 1H VAL 1 -4.245 11.981 9.560
2 H2 VAL 1 2H VAL 1 -4.521 13.628 9.295
3 H3 VAL 1 3H VAL 1 -2.961 13.082 9.671
4 HA VAL 1 HA VAL 1 -3.121 13.591 7.343
5 HB VAL 1 HB VAL 1 -2.495 11.355 6.392
6 HG11 VAL 1 1HG1 VAL 1 -1.205 12.077 9.021
7 HG12 VAL 1 2HG1 VAL 1 -0.843 12.808 7.458
8 HG13 VAL 1 3HG1 VAL 1 -0.475 11.106 7.742
9 HG21 VAL 1 3HG2 VAL 1 -3.994 9.966 7.733
10 HG22 VAL 1 1HG2 VAL 1 -3.089 10.386 9.187
11 HG23 VAL 1 2HG2 VAL 1 -2.317 9.445 7.909
12 H VAL 2 H VAL 2 -4.237 13.584 5.447
13 HA VAL 2 HA VAL 2 -6.939 12.411 5.578
14 HB VAL 2 HB VAL 2 -5.982 14.728 3.882
15 HG11 VAL 2 1HG1 VAL 2 -8.755 13.632 4.344
16 HG12 VAL 2 2HG1 VAL 2 -7.824 13.518 2.851
17 HG13 VAL 2 3HG1 VAL 2 -8.369 15.092 3.434
18 HG21 VAL 2 3HG2 VAL 2 -6.003 15.286 6.265
19 HG22 VAL 2 1HG2 VAL 2 -7.676 14.740 6.379
20 HG23 VAL 2 2HG2 VAL 2 -7.272 16.144 5.391
21 H TYR 3 H TYR 3 -7.290 10.709 4.325
22 HA TYR 3 HA TYR 3 -5.618 10.360 1.926
23 HB2 TYR 3 2HB TYR 3 -6.982 8.279 3.647
24 HB3 TYR 3 1HB TYR 3 -6.151 7.929 2.138
25 HD1 TYR 3 HD2 TYR 3 -3.658 9.121 2.144
26 HD2 TYR 3 HD1 TYR 3 -5.811 7.703 5.527
27 HE1 TYR 3 HE2 TYR 3 -1.545 8.862 3.373
28 HE2 TYR 3 HE1 TYR 3 -3.702 7.433 6.760
29 HH TYR 3 HH TYR 3 -1.352 7.185 6.365
30 H THR 4 H THR 4 -6.789 8.838 0.319
31 HA THR 4 HA THR 4 -9.619 9.508 0.086
32 HB THR 4 HB THR 4 -9.038 9.622 -2.488
33 HG1 THR 4 HG1 THR 4 -6.680 10.811 -1.486
34 HG21 THR 4 3HG2 THR 4 -10.066 11.437 -1.209
35 HG22 THR 4 1HG2 THR 4 -8.854 12.060 -2.325
36 HG23 THR 4 2HG2 THR 4 -8.479 11.919 -0.606
37 H ASP 5 H ASP 5 -9.937 8.167 -2.427
38 HA ASP 5 HA ASP 5 -9.846 5.453 -1.364
39 HB2 ASP 5 2HB ASP 5 -11.088 6.529 -3.917
40 HB3 ASP 5 1HB ASP 5 -11.272 4.887 -3.313
41 H CYS 6 H CYS 6 -9.011 3.686 -2.558
42 HA CYS 6 HA CYS 6 -6.490 4.122 -3.739
43 HB2 CYS 6 2HB CYS 6 -8.151 1.617 -4.009
44 HB3 CYS 6 1HB CYS 6 -6.398 1.757 -4.055
45 HG CYS 6 HG CYS 6 -8.436 2.024 -1.326
46 H THR 7 H THR 7 -5.869 4.285 -5.810
47 HA THR 7 HA THR 7 -7.969 4.380 -7.852
48 HB THR 7 HB THR 7 -5.151 5.428 -8.104
49 HG1 THR 7 HG1 THR 7 -7.502 6.742 -7.132
50 HG21 THR 7 3HG2 THR 7 -7.716 6.130 -9.542
51 HG22 THR 7 1HG2 THR 7 -6.389 5.178 -10.205
52 HG23 THR 7 2HG2 THR 7 -6.144 6.881 -9.817
53 H GLU 8 H GLU 8 -5.221 2.579 -6.851
54 HA GLU 8 HA GLU 8 -5.304 1.030 -9.314
55 HB2 GLU 8 2HB GLU 8 -3.259 2.913 -8.711
56 HB3 GLU 8 1HB GLU 8 -2.568 1.304 -8.571
57 HG2 GLU 8 2HG GLU 8 -4.073 2.317 -10.972
58 HG3 GLU 8 1HG GLU 8 -2.316 2.287 -10.817
59 H SER 9 H SER 9 -4.121 -0.967 -9.154
60 HA SER 9 HA SER 9 -4.429 -2.179 -6.535
61 HB2 SER 9 2HB SER 9 -3.513 -3.435 -9.138
62 HB3 SER 9 1HB SER 9 -4.096 -4.279 -7.699
63 HG SER 9 HG SER 9 -5.509 -2.955 -9.688
64 H GLY 10 H GLY 10 -2.798 -2.449 -5.154
65 HA2 GLY 10 2HA GLY 10 -0.447 -3.037 -4.788
66 HA3 GLY 10 1HA GLY 10 -0.050 -2.058 -6.194
67 H GLN 11 H GLN 11 -2.369 -0.342 -4.841
68 HA GLN 11 HA GLN 11 -0.527 1.322 -3.309
69 HB2 GLN 11 2HB GLN 11 -3.075 1.751 -4.706
70 HB3 GLN 11 1HB GLN 11 -2.956 2.584 -3.159
71 HG2 GLN 11 2HG GLN 11 -1.796 4.172 -4.156
72 HG3 GLN 11 1HG GLN 11 -0.510 3.006 -4.455
73 HE21 GLN 11 1HE2 GLN 11 -3.143 4.768 -5.794
74 HE22 GLN 11 2HE2 GLN 11 -2.847 4.365 -7.446
75 H ASN 12 H ASN 12 -1.247 2.196 -1.182
76 HA ASN 12 HA ASN 12 -3.009 0.335 0.221
77 HB2 ASN 12 2HB ASN 12 -1.369 0.451 2.181
78 HB3 ASN 12 1HB ASN 12 -1.027 -0.636 0.850
79 HD21 ASN 12 1HD2 ASN 12 1.114 -0.690 1.490
80 HD22 ASN 12 2HD2 ASN 12 2.203 0.611 1.135
81 H LEU 13 H LEU 13 -1.078 3.254 0.799
82 HA LEU 13 HA LEU 13 -2.540 4.262 2.966
83 HB2 LEU 13 2HB LEU 13 -0.839 5.666 0.911
84 HB3 LEU 13 1HB LEU 13 -1.481 6.459 2.337
85 HG LEU 13 HG LEU 13 0.342 4.054 2.456
86 HD11 LEU 13 1HD1 LEU 13 2.117 5.648 3.030
87 HD12 LEU 13 2HD1 LEU 13 1.019 6.985 2.688
88 HD13 LEU 13 3HD1 LEU 13 1.517 5.899 1.392
89 HD21 LEU 13 3HD2 LEU 13 -0.366 6.100 4.554
90 HD22 LEU 13 1HD2 LEU 13 0.591 4.636 4.769
91 HD23 LEU 13 2HD2 LEU 13 -1.133 4.520 4.415
92 H CYS 14 H CYS 14 -4.581 3.564 1.626
93 HA CYS 14 HA CYS 14 -6.041 5.985 1.071
94 HB2 CYS 14 2HB CYS 14 -6.884 4.818 -1.137
95 HB3 CYS 14 1HB CYS 14 -5.411 5.765 -1.154
96 HG CYS 14 HG CYS 14 -5.562 2.352 -0.956
97 H LEU 15 H LEU 15 -8.421 5.491 0.963
98 HA LEU 15 HA LEU 15 -9.043 3.316 2.750
99 HB2 LEU 15 2HB LEU 15 -11.446 4.355 1.633
100 HB3 LEU 15 1HB LEU 15 -10.822 4.536 3.252
101 HG LEU 15 HG LEU 15 -9.944 6.380 1.039
102 HD11 LEU 15 1HD1 LEU 15 -12.374 6.489 1.133
103 HD12 LEU 15 2HD1 LEU 15 -11.659 7.949 1.817
104 HD13 LEU 15 3HD1 LEU 15 -12.311 6.704 2.882
105 HD21 LEU 15 3HD2 LEU 15 -10.083 6.733 4.032
106 HD22 LEU 15 1HD2 LEU 15 -9.416 7.872 2.864
107 HD23 LEU 15 2HD2 LEU 15 -8.627 6.317 3.128
108 H CYS 16 H CYS 16 -8.706 1.421 1.836
109 HA CYS 16 HA CYS 16 -9.378 0.768 -0.843
110 HB2 CYS 16 2HB CYS 16 -7.552 -0.383 0.157
111 HB3 CYS 16 1HB CYS 16 -8.516 -0.847 1.547
112 HG CYS 16 HG CYS 16 -10.219 -2.334 -0.509
113 H GLU 17 H GLU 17 -10.436 -0.950 2.033
114 HA GLU 17 HA GLU 17 -12.981 -1.570 0.771
115 HB2 GLU 17 2HB GLU 17 -11.293 -2.983 2.381
116 HB3 GLU 17 1HB GLU 17 -12.442 -2.384 3.567
117 HG2 GLU 17 2HG GLU 17 -13.271 -3.855 1.079
118 HG3 GLU 17 1HG GLU 17 -12.889 -4.671 2.593
119 H GLY 18 H GLY 18 -14.999 -1.269 2.053
120 HA2 GLY 18 2HA GLY 18 -16.297 0.763 2.503
121 HA3 GLY 18 1HA GLY 18 -16.057 -0.133 3.986
122 H SER 19 H SER 19 -14.672 0.673 5.569
123 HA SER 19 HA SER 19 -13.499 3.327 5.010
124 HB2 SER 19 2HB SER 19 -13.774 3.699 7.513
125 HB3 SER 19 1HB SER 19 -15.265 3.705 6.572
126 HG SER 19 HG SER 19 -14.489 2.065 8.595
127 H ASN 20 H ASN 20 -12.513 0.487 4.861
128 HA ASN 20 HA ASN 20 -10.459 0.327 6.867
129 HB2 ASN 20 2HB ASN 20 -11.019 -1.250 4.365
130 HB3 ASN 20 1HB ASN 20 -9.588 -1.530 5.356
131 HD21 ASN 20 1HD2 ASN 20 -13.080 -1.555 5.329
132 HD22 ASN 20 2HD2 ASN 20 -13.266 -2.612 6.672
133 H VAL 21 H VAL 21 -9.147 1.947 6.822
134 HA VAL 21 HA VAL 21 -8.028 2.953 4.325
135 HB VAL 21 HB VAL 21 -7.380 3.826 7.153
136 HG11 VAL 21 1HG1 VAL 21 -6.626 5.893 6.069
137 HG12 VAL 21 2HG1 VAL 21 -6.975 5.187 4.491
138 HG13 VAL 21 3HG1 VAL 21 -5.720 4.487 5.512
139 HG21 VAL 21 3HG2 VAL 21 -9.445 4.934 5.254
140 HG22 VAL 21 1HG2 VAL 21 -8.965 5.671 6.783
141 HG23 VAL 21 2HG2 VAL 21 -9.759 4.096 6.773
142 H CYS 22 H CYS 22 -6.569 1.555 3.535
143 HA CYS 22 HA CYS 22 -4.926 -0.071 5.211
144 HB2 CYS 22 2HB CYS 22 -5.716 -0.041 2.488
145 HB3 CYS 22 1HB CYS 22 -3.961 0.026 2.515
146 HG CYS 22 HG CYS 22 -5.988 -2.426 3.710
147 H GLY 23 H GLY 23 -2.607 -0.071 5.223
148 HA2 GLY 23 2HA GLY 23 -1.343 2.476 4.510
149 HA3 GLY 23 1HA GLY 23 -1.214 1.898 6.167
150 H GLN 24 H GLN 24 1.083 1.738 6.000
151 HA GLN 24 HA GLN 24 2.137 0.075 3.860
152 HB2 GLN 24 2HB GLN 24 3.327 2.143 4.569
153 HB3 GLN 24 1HB GLN 24 3.620 1.403 6.137
154 HG2 GLN 24 2HG GLN 24 5.021 -0.262 5.185
155 HG3 GLN 24 1HG GLN 24 4.558 0.200 3.550
156 HE21 GLN 24 1HE2 GLN 24 4.701 3.055 4.165
157 HE22 GLN 24 2HE2 GLN 24 6.389 3.443 4.213
158 H GLY 25 H GLY 25 3.022 -1.919 4.095
159 HA2 GLY 25 2HA GLY 25 3.466 -3.924 5.307
160 HA3 GLY 25 1HA GLY 25 2.515 -3.284 6.653
161 H ASN 26 H ASN 26 0.750 -2.313 4.282
162 HA ASN 26 HA ASN 26 -0.564 -4.862 3.660
163 HB2 ASN 26 2HB ASN 26 -1.884 -2.230 4.366
164 HB3 ASN 26 1HB ASN 26 -2.736 -3.607 3.677
165 HD21 ASN 26 1HD2 ASN 26 -1.187 -2.317 6.501
166 HD22 ASN 26 2HD2 ASN 26 -1.753 -3.518 7.606
167 H LYS 27 H LYS 27 -1.921 -4.698 1.702
168 HA LYS 27 HA LYS 27 -1.201 -2.580 -0.149
169 HB2 LYS 27 2HB LYS 27 0.637 -4.116 -0.463
170 HB3 LYS 27 1HB LYS 27 -0.465 -5.478 -0.595
171 HG2 LYS 27 2HG LYS 27 -1.184 -4.843 -2.723
172 HG3 LYS 27 1HG LYS 27 -0.558 -3.202 -2.542
173 HD2 LYS 27 2HD LYS 27 0.837 -4.568 -4.039
174 HD3 LYS 27 1HD LYS 27 1.720 -4.030 -2.608
175 HE2 LYS 27 2HE LYS 27 2.249 -6.347 -3.086
176 HE3 LYS 27 1HE LYS 27 1.343 -6.238 -1.577
177 HZ1 LYS 27 3HZ LYS 27 0.183 -6.957 -4.217
178 HZ2 LYS 27 1HZ LYS 27 -0.637 -6.935 -2.737
179 HZ3 LYS 27 2HZ LYS 27 0.590 -8.065 -2.999
180 H CYS 28 H CYS 28 -3.035 -2.034 -1.169
181 HA CYS 28 HA CYS 28 -5.242 -3.916 -1.181
182 HB2 CYS 28 2HB CYS 28 -5.853 -1.687 -0.545
183 HB3 CYS 28 1HB CYS 28 -5.049 -1.003 -1.953
184 HG CYS 28 HG CYS 28 -7.994 -2.712 -1.862
185 H ILE 29 H ILE 29 -6.058 -4.871 -2.959
186 HA ILE 29 HA ILE 29 -4.915 -4.139 -5.560
187 HB ILE 29 HB ILE 29 -5.265 -6.644 -6.125
188 HG12 ILE 29 2HG1 ILE 29 -4.889 -6.796 -3.131
189 HG13 ILE 29 1HG1 ILE 29 -6.391 -7.169 -3.974
190 HG21 ILE 29 1HG2 ILE 29 -2.964 -7.150 -5.420
191 HG22 ILE 29 2HG2 ILE 29 -2.977 -5.719 -4.388
192 HG23 ILE 29 3HG2 ILE 29 -3.102 -5.546 -6.138
193 HD11 ILE 29 3HD1 ILE 29 -3.779 -8.639 -4.263
194 HD12 ILE 29 1HD1 ILE 29 -5.267 -9.004 -5.138
195 HD13 ILE 29 2HD1 ILE 29 -5.205 -9.195 -3.386
196 H LEU 30 H LEU 30 -6.379 -3.575 -6.952
197 HA LEU 30 HA LEU 30 -9.172 -4.238 -6.523
198 HB2 LEU 30 2HB LEU 30 -7.813 -2.339 -8.442
199 HB3 LEU 30 1HB LEU 30 -9.537 -2.651 -8.453
200 HG LEU 30 HG LEU 30 -9.526 -1.850 -6.017
201 HD11 LEU 30 1HD1 LEU 30 -7.740 -0.313 -5.409
202 HD12 LEU 30 2HD1 LEU 30 -6.877 -0.716 -6.892
203 HD13 LEU 30 3HD1 LEU 30 -7.119 -1.946 -5.652
204 HD21 LEU 30 3HD2 LEU 30 -9.694 0.480 -6.699
205 HD22 LEU 30 1HD2 LEU 30 -10.479 -0.579 -7.869
206 HD23 LEU 30 2HD2 LEU 30 -8.890 0.103 -8.223
207 H GLY 31 H GLY 31 -8.984 -6.455 -7.040
208 HA2 GLY 31 2HA GLY 31 -8.047 -7.121 -9.736
209 HA3 GLY 31 1HA GLY 31 -8.325 -8.258 -8.427
210 H ARG 32 H ARG 32 -10.168 -9.363 -8.394
211 HA ARG 32 HA ARG 32 -12.520 -8.472 -9.803
212 HB2 ARG 32 2HB ARG 32 -12.530 -10.540 -11.268
213 HB3 ARG 32 1HB ARG 32 -11.361 -9.302 -11.709
214 HG2 ARG 32 2HG ARG 32 -9.640 -10.616 -10.436
215 HG3 ARG 32 1HG ARG 32 -10.839 -11.902 -10.289
216 HD2 ARG 32 2HD ARG 32 -9.893 -10.734 -12.902
217 HD3 ARG 32 1HD ARG 32 -9.253 -12.208 -12.180
218 HE ARG 32 HE ARG 32 -12.060 -12.409 -12.409
219 HH11 ARG 32 1HH1 ARG 32 -9.184 -12.362 -14.401
220 HH12 ARG 32 2HH1 ARG 32 -9.861 -13.359 -15.652
221 HH21 ARG 32 1HH2 ARG 32 -12.977 -13.704 -14.053
222 HH22 ARG 32 2HH2 ARG 32 -12.019 -14.146 -15.438
223 H GLY 33 H GLY 33 -14.321 -10.003 -9.550
224 HA2 GLY 33 2HA GLY 33 -15.566 -11.547 -8.369
225 HA3 GLY 33 1HA GLY 33 -14.062 -12.259 -7.796
226 H ASP 34 H ASP 34 -13.938 -12.253 -5.667
227 HA ASP 34 HA ASP 34 -15.197 -10.083 -4.150
228 HB2 ASP 34 2HB ASP 34 -14.036 -12.748 -3.328
229 HB3 ASP 34 1HB ASP 34 -14.486 -11.515 -2.154
230 H SER 35 H SER 35 -12.275 -10.937 -5.494
231 HA SER 35 HA SER 35 -10.691 -9.436 -3.541
232 HB2 SER 35 2HB SER 35 -9.978 -11.707 -4.417
233 HB3 SER 35 1HB SER 35 -9.693 -10.929 -5.968
234 HG SER 35 HG SER 35 -7.768 -10.864 -4.949
235 H LYS 36 H LYS 36 -12.665 -8.425 -5.502
236 HA LYS 36 HA LYS 36 -11.370 -6.938 -7.524
237 HB2 LYS 36 2HB LYS 36 -13.522 -5.540 -7.342
238 HB3 LYS 36 1HB LYS 36 -13.683 -7.235 -7.787
239 HG2 LYS 36 2HG LYS 36 -14.462 -7.836 -5.668
240 HG3 LYS 36 1HG LYS 36 -13.927 -6.324 -4.942
241 HD2 LYS 36 2HD LYS 36 -15.608 -5.141 -6.374
242 HD3 LYS 36 1HD LYS 36 -16.196 -6.721 -6.896
243 HE2 LYS 36 2HE LYS 36 -17.597 -5.894 -5.120
244 HE3 LYS 36 1HE LYS 36 -16.674 -7.279 -4.537
245 HZ1 LYS 36 3HZ LYS 36 -15.919 -4.443 -4.065
246 HZ2 LYS 36 1HZ LYS 36 -15.170 -5.815 -3.405
247 HZ3 LYS 36 2HZ LYS 36 -16.752 -5.409 -2.947
248 H ASN 37 H ASN 37 -11.884 -6.437 -4.154
249 HA ASN 37 HA ASN 37 -10.040 -4.226 -4.131
250 HB2 ASN 37 2HB ASN 37 -12.180 -3.061 -4.433
251 HB3 ASN 37 1HB ASN 37 -12.872 -3.946 -3.074
252 HD21 ASN 37 1HD2 ASN 37 -10.621 -1.473 -4.034
253 HD22 ASN 37 2HD2 ASN 37 -10.445 -0.762 -2.476
254 H GLN 38 H GLN 38 -8.697 -5.590 -2.957
255 HA GLN 38 HA GLN 38 -9.723 -6.353 -0.303
256 HB2 GLN 38 2HB GLN 38 -9.622 -8.357 -1.635
257 HB3 GLN 38 1HB GLN 38 -7.983 -7.987 -2.148
258 HG2 GLN 38 2HG GLN 38 -7.871 -9.683 -0.487
259 HG3 GLN 38 1HG GLN 38 -7.254 -8.196 0.214
260 HE21 GLN 38 1HE2 GLN 38 -7.641 -8.815 2.311
261 HE22 GLN 38 2HE2 GLN 38 -9.231 -8.967 2.973
262 H CYS 39 H CYS 39 -8.467 -5.949 1.398
263 HA CYS 39 HA CYS 39 -5.863 -4.727 0.989
264 HB2 CYS 39 2HB CYS 39 -7.621 -5.113 3.397
265 HB3 CYS 39 1HB CYS 39 -5.967 -4.545 3.541
266 HG CYS 39 HG CYS 39 -7.877 -2.829 1.373
267 H VAL 40 H VAL 40 -4.580 -6.442 0.305
268 HA VAL 40 HA VAL 40 -4.358 -8.786 2.016
269 HB VAL 40 HB VAL 40 -4.289 -8.809 -0.549
270 HG11 VAL 40 1HG1 VAL 40 -2.722 -7.006 -0.901
271 HG12 VAL 40 2HG1 VAL 40 -2.095 -8.507 -1.581
272 HG13 VAL 40 3HG1 VAL 40 -1.464 -7.902 -0.049
273 HG21 VAL 40 3HG2 VAL 40 -2.628 -10.648 -0.590
274 HG22 VAL 40 1HG2 VAL 40 -3.784 -10.777 0.737
275 HG23 VAL 40 2HG2 VAL 40 -2.147 -10.201 1.047
276 H THR 41 H THR 41 -2.202 -9.432 2.826
277 HA THR 41 HA THR 41 -0.827 -7.113 3.897
278 HB THR 41 HB THR 41 0.470 -8.897 5.187
279 HG1 THR 41 HG1 THR 41 -0.270 -10.966 5.117
280 HG21 THR 41 3HG2 THR 41 -1.326 -7.600 6.207
281 HG22 THR 41 1HG2 THR 41 -1.375 -9.271 6.773
282 HG23 THR 41 2HG2 THR 41 -2.523 -8.719 5.553
283 H GLY 42 H GLY 42 1.007 -6.372 3.230
284 HA2 GLY 42 2HA GLY 42 3.195 -7.695 2.221
285 HA3 GLY 42 1HA GLY 42 2.175 -7.350 0.830
286 H GLU 43 H GLU 43 3.564 -5.863 -0.088
287 HA GLU 43 HA GLU 43 3.928 -3.398 1.487
288 HB2 GLU 43 2HB GLU 43 5.837 -4.300 -0.665
289 HB3 GLU 43 1HB GLU 43 6.087 -3.074 0.568
290 HG2 GLU 43 2HG GLU 43 5.899 -6.042 1.047
291 HG3 GLU 43 1HG GLU 43 7.380 -5.091 1.012
292 H GLY 44 H GLY 44 2.500 -2.005 0.671
293 HA2 GLY 44 2HA GLY 44 1.826 -2.103 -2.156
294 HA3 GLY 44 1HA GLY 44 0.998 -1.171 -0.921
295 H THR 45 H THR 45 0.992 0.756 -1.930
296 HA THR 45 HA THR 45 3.507 2.190 -2.099
297 HB THR 45 HB THR 45 2.257 1.092 -4.411
298 HG1 THR 45 HG1 THR 45 4.346 1.262 -4.713
299 HG21 THR 45 3HG2 THR 45 2.211 4.107 -4.402
300 HG22 THR 45 1HG2 THR 45 0.811 3.040 -4.514
301 HG23 THR 45 2HG2 THR 45 1.993 3.081 -5.820
302 HA PRO 46 HA PRO 46 0.926 5.483 -0.580
303 HB2 PRO 46 2HB PRO 46 2.691 7.275 -2.147
304 HB3 PRO 46 1HB PRO 46 2.335 7.280 -0.417
305 HG2 PRO 46 2HG PRO 46 4.701 6.440 -1.336
306 HG3 PRO 46 1HG PRO 46 3.922 5.658 0.053
307 HD2 PRO 46 2HD PRO 46 4.089 4.748 -2.792
308 HD3 PRO 46 1HD PRO 46 4.207 3.800 -1.294
309 H LYS 47 H LYS 47 -1.014 5.739 -1.462
310 HA LYS 47 HA LYS 47 -1.395 6.263 -4.260
311 HB2 LYS 47 2HB LYS 47 -2.925 4.853 -2.866
312 HB3 LYS 47 1HB LYS 47 -3.386 6.296 -1.979
313 HG2 LYS 47 2HG LYS 47 -3.671 6.434 -4.905
314 HG3 LYS 47 1HG LYS 47 -4.737 5.319 -4.056
315 HD2 LYS 47 2HD LYS 47 -5.847 6.981 -2.967
316 HD3 LYS 47 1HD LYS 47 -4.447 8.045 -2.935
317 HE2 LYS 47 2HE LYS 47 -4.778 8.205 -5.486
318 HE3 LYS 47 1HE LYS 47 -6.370 7.517 -5.178
319 HZ1 LYS 47 3HZ LYS 47 -6.681 9.408 -3.560
320 HZ2 LYS 47 1HZ LYS 47 -6.654 9.833 -5.204
321 HZ3 LYS 47 2HZ LYS 47 -5.290 10.105 -4.232
322 HA PRO 48 HA PRO 48 -0.397 10.473 -3.656
323 HB2 PRO 48 2HB PRO 48 -1.277 11.378 -6.100
324 HB3 PRO 48 1HB PRO 48 0.284 10.624 -5.788
325 HG2 PRO 48 2HG PRO 48 -2.197 9.458 -6.949
326 HG3 PRO 48 1HG PRO 48 -0.504 9.121 -7.354
327 HD2 PRO 48 2HD PRO 48 -2.023 7.454 -5.852
328 HD3 PRO 48 1HD PRO 48 -0.269 7.608 -5.639
329 H GLN 49 H GLN 49 -1.125 12.403 -3.320
330 HA GLN 49 HA GLN 49 -4.027 12.883 -3.371
331 HB2 GLN 49 2HB GLN 49 -3.408 14.707 -1.669
332 HB3 GLN 49 1HB GLN 49 -3.399 13.035 -1.129
333 HG2 GLN 49 2HG GLN 49 -1.059 12.911 -1.215
334 HG3 GLN 49 1HG GLN 49 -0.928 14.445 -2.063
335 HE21 GLN 49 1HE2 GLN 49 -1.182 16.371 -0.902
336 HE22 GLN 49 2HE2 GLN 49 -1.125 16.414 0.826
337 H SER 50 H SER 50 -0.901 13.792 -4.386
338 HA SER 50 HA SER 50 -1.752 16.314 -5.551
339 HB2 SER 50 2HB SER 50 0.878 14.897 -6.003
340 HB3 SER 50 1HB SER 50 0.530 16.622 -6.152
341 HG SER 50 HG SER 50 0.678 15.053 -3.795
342 H HIS 51 H HIS 51 -0.213 13.371 -6.923
343 HA HIS 51 HA HIS 51 -1.036 14.110 -9.580
344 HB2 HIS 51 2HB HIS 51 0.502 11.853 -8.385
345 HB3 HIS 51 1HB HIS 51 -0.203 11.612 -9.973
346 HD1 HIS 51 HD1 HIS 51 0.610 13.232 -11.876
347 HD2 HIS 51 HD2 HIS 51 2.852 13.295 -8.380
348 HE1 HIS 51 HE1 HIS 51 2.817 14.258 -12.507
349 HE2 HIS 51 HE2 HIS 51 4.242 14.027 -10.444
Start of MODEL 17
1 H1 VAL 1 1H VAL 1 -5.649 15.142 6.193
2 H2 VAL 1 2H VAL 1 -4.535 15.359 7.443
3 H3 VAL 1 3H VAL 1 -6.114 14.851 7.797
4 HA VAL 1 HA VAL 1 -4.130 13.320 6.224
5 HB VAL 1 HB VAL 1 -4.055 11.777 8.154
6 HG11 VAL 1 1HG1 VAL 1 -3.260 14.613 8.803
7 HG12 VAL 1 2HG1 VAL 1 -2.314 13.457 7.865
8 HG13 VAL 1 3HG1 VAL 1 -2.625 13.160 9.575
9 HG21 VAL 1 3HG2 VAL 1 -6.175 12.300 9.207
10 HG22 VAL 1 1HG2 VAL 1 -5.621 13.936 9.564
11 HG23 VAL 1 2HG2 VAL 1 -4.859 12.556 10.351
12 H VAL 2 H VAL 2 -6.844 13.984 5.474
13 HA VAL 2 HA VAL 2 -8.347 11.522 5.897
14 HB VAL 2 HB VAL 2 -9.048 13.977 4.263
15 HG11 VAL 2 1HG1 VAL 2 -10.205 12.007 3.438
16 HG12 VAL 2 2HG1 VAL 2 -11.337 13.063 4.283
17 HG13 VAL 2 3HG1 VAL 2 -10.731 11.605 5.070
18 HG21 VAL 2 3HG2 VAL 2 -10.571 14.516 6.102
19 HG22 VAL 2 1HG2 VAL 2 -8.893 14.462 6.648
20 HG23 VAL 2 2HG2 VAL 2 -9.979 13.117 7.000
21 H TYR 3 H TYR 3 -7.963 9.831 4.634
22 HA TYR 3 HA TYR 3 -6.569 10.224 2.119
23 HB2 TYR 3 2HB TYR 3 -7.118 7.827 3.840
24 HB3 TYR 3 1HB TYR 3 -6.595 7.628 2.168
25 HD1 TYR 3 HD2 TYR 3 -4.510 9.272 1.580
26 HD2 TYR 3 HD1 TYR 3 -5.451 7.722 5.426
27 HE1 TYR 3 HE2 TYR 3 -2.170 9.576 2.266
28 HE2 TYR 3 HE1 TYR 3 -3.113 8.014 6.123
29 HH TYR 3 HH TYR 3 -0.967 9.937 4.526
30 H THR 4 H THR 4 -7.216 8.499 0.420
31 HA THR 4 HA THR 4 -10.075 8.817 -0.118
32 HB THR 4 HB THR 4 -9.157 8.828 -2.592
33 HG1 THR 4 HG1 THR 4 -6.961 10.009 -1.198
34 HG21 THR 4 3HG2 THR 4 -8.930 11.236 -0.783
35 HG22 THR 4 1HG2 THR 4 -10.397 10.675 -1.583
36 HG23 THR 4 2HG2 THR 4 -9.046 11.283 -2.542
37 H ASP 5 H ASP 5 -10.407 7.262 -2.286
38 HA ASP 5 HA ASP 5 -9.818 4.631 -1.186
39 HB2 ASP 5 2HB ASP 5 -11.620 5.636 -3.395
40 HB3 ASP 5 1HB ASP 5 -11.253 3.923 -3.253
41 H CYS 6 H CYS 6 -8.865 2.945 -2.456
42 HA CYS 6 HA CYS 6 -6.496 3.752 -3.732
43 HB2 CYS 6 2HB CYS 6 -7.727 1.035 -4.078
44 HB3 CYS 6 1HB CYS 6 -6.024 1.470 -4.015
45 HG CYS 6 HG CYS 6 -5.731 1.423 -1.415
46 H THR 7 H THR 7 -5.970 4.080 -5.788
47 HA THR 7 HA THR 7 -8.107 3.897 -7.793
48 HB THR 7 HB THR 7 -5.535 5.462 -7.972
49 HG1 THR 7 HG1 THR 7 -8.096 6.411 -7.115
50 HG21 THR 7 3HG2 THR 7 -6.770 6.792 -9.629
51 HG22 THR 7 1HG2 THR 7 -8.177 5.750 -9.419
52 HG23 THR 7 2HG2 THR 7 -6.688 5.096 -10.104
53 H GLU 8 H GLU 8 -5.030 2.667 -6.902
54 HA GLU 8 HA GLU 8 -4.776 1.233 -9.453
55 HB2 GLU 8 2HB GLU 8 -2.879 3.052 -8.144
56 HB3 GLU 8 1HB GLU 8 -2.176 1.530 -8.640
57 HG2 GLU 8 2HG GLU 8 -3.743 3.337 -10.468
58 HG3 GLU 8 1HG GLU 8 -1.990 3.393 -10.296
59 H SER 9 H SER 9 -3.644 -0.783 -9.299
60 HA SER 9 HA SER 9 -4.207 -2.086 -6.763
61 HB2 SER 9 2HB SER 9 -3.309 -3.224 -9.430
62 HB3 SER 9 1HB SER 9 -3.783 -4.175 -8.019
63 HG SER 9 HG SER 9 -5.344 -2.728 -9.808
64 H GLY 10 H GLY 10 -2.653 -2.157 -5.267
65 HA2 GLY 10 2HA GLY 10 -0.342 -3.047 -4.850
66 HA3 GLY 10 1HA GLY 10 0.160 -2.029 -6.194
67 H GLN 11 H GLN 11 -2.185 -0.349 -4.706
68 HA GLN 11 HA GLN 11 -0.299 1.274 -3.186
69 HB2 GLN 11 2HB GLN 11 -2.949 1.666 -4.401
70 HB3 GLN 11 1HB GLN 11 -2.784 2.423 -2.813
71 HG2 GLN 11 2HG GLN 11 -1.777 4.092 -3.805
72 HG3 GLN 11 1HG GLN 11 -0.429 3.030 -4.160
73 HE21 GLN 11 1HE2 GLN 11 -3.207 4.658 -5.371
74 HE22 GLN 11 2HE2 GLN 11 -2.902 4.375 -7.046
75 H ASN 12 H ASN 12 -1.211 2.108 -0.985
76 HA ASN 12 HA ASN 12 -2.741 0.035 0.369
77 HB2 ASN 12 2HB ASN 12 -1.088 0.186 2.323
78 HB3 ASN 12 1HB ASN 12 -0.708 -0.848 0.960
79 HD21 ASN 12 1HD2 ASN 12 1.442 -0.808 1.577
80 HD22 ASN 12 2HD2 ASN 12 2.460 0.547 1.229
81 H LEU 13 H LEU 13 -0.992 3.035 1.066
82 HA LEU 13 HA LEU 13 -2.563 3.849 3.247
83 HB2 LEU 13 2HB LEU 13 -0.888 5.478 1.340
84 HB3 LEU 13 1HB LEU 13 -1.560 6.091 2.839
85 HG LEU 13 HG LEU 13 0.364 3.771 2.702
86 HD11 LEU 13 1HD1 LEU 13 0.923 6.676 3.285
87 HD12 LEU 13 2HD1 LEU 13 1.447 5.786 1.858
88 HD13 LEU 13 3HD1 LEU 13 2.074 5.351 3.447
89 HD21 LEU 13 3HD2 LEU 13 -0.533 5.510 4.995
90 HD22 LEU 13 1HD2 LEU 13 0.614 4.174 5.082
91 HD23 LEU 13 2HD2 LEU 13 -1.074 3.862 4.688
92 H CYS 14 H CYS 14 -4.564 3.173 1.956
93 HA CYS 14 HA CYS 14 -6.034 5.583 1.307
94 HB2 CYS 14 2HB CYS 14 -6.932 4.167 -0.783
95 HB3 CYS 14 1HB CYS 14 -5.566 5.269 -0.918
96 HG CYS 14 HG CYS 14 -4.452 2.334 0.018
97 H LEU 15 H LEU 15 -8.424 4.947 0.898
98 HA LEU 15 HA LEU 15 -9.202 3.060 2.964
99 HB2 LEU 15 2HB LEU 15 -11.228 4.271 1.151
100 HB3 LEU 15 1HB LEU 15 -11.305 3.992 2.875
101 HG LEU 15 HG LEU 15 -9.746 6.220 1.562
102 HD11 LEU 15 1HD1 LEU 15 -11.489 7.679 2.477
103 HD12 LEU 15 2HD1 LEU 15 -12.382 6.262 3.028
104 HD13 LEU 15 3HD1 LEU 15 -12.144 6.538 1.303
105 HD21 LEU 15 3HD2 LEU 15 -9.549 7.092 3.836
106 HD22 LEU 15 1HD2 LEU 15 -8.786 5.509 3.680
107 HD23 LEU 15 2HD2 LEU 15 -10.365 5.655 4.457
108 H CYS 16 H CYS 16 -8.587 1.108 2.108
109 HA CYS 16 HA CYS 16 -9.308 0.313 -0.546
110 HB2 CYS 16 2HB CYS 16 -7.203 -0.392 0.512
111 HB3 CYS 16 1HB CYS 16 -8.116 -1.280 1.718
112 HG CYS 16 HG CYS 16 -7.890 -3.459 0.410
113 H GLU 17 H GLU 17 -9.969 -1.067 2.647
114 HA GLU 17 HA GLU 17 -12.359 -2.372 1.573
115 HB2 GLU 17 2HB GLU 17 -10.486 -3.257 3.297
116 HB3 GLU 17 1HB GLU 17 -11.697 -2.629 4.397
117 HG2 GLU 17 2HG GLU 17 -12.299 -4.622 2.232
118 HG3 GLU 17 1HG GLU 17 -11.888 -5.072 3.884
119 H GLY 18 H GLY 18 -14.129 -1.351 1.714
120 HA2 GLY 18 2HA GLY 18 -15.682 0.295 2.197
121 HA3 GLY 18 1HA GLY 18 -15.457 -0.292 3.836
122 H SER 19 H SER 19 -14.357 0.918 5.288
123 HA SER 19 HA SER 19 -13.440 3.565 4.375
124 HB2 SER 19 2HB SER 19 -13.872 4.111 6.864
125 HB3 SER 19 1HB SER 19 -15.265 3.964 5.792
126 HG SER 19 HG SER 19 -15.856 2.179 6.799
127 H ASN 20 H ASN 20 -12.201 0.692 5.234
128 HA ASN 20 HA ASN 20 -10.446 1.384 7.376
129 HB2 ASN 20 2HB ASN 20 -10.506 -0.948 5.464
130 HB3 ASN 20 1HB ASN 20 -9.268 -0.772 6.702
131 HD21 ASN 20 1HD2 ASN 20 -12.596 0.218 7.164
132 HD22 ASN 20 2HD2 ASN 20 -13.000 -1.020 8.303
133 H VAL 21 H VAL 21 -8.663 2.479 7.302
134 HA VAL 21 HA VAL 21 -7.507 3.249 4.743
135 HB VAL 21 HB VAL 21 -6.570 4.012 7.523
136 HG11 VAL 21 1HG1 VAL 21 -4.983 4.410 5.701
137 HG12 VAL 21 2HG1 VAL 21 -5.558 5.915 6.415
138 HG13 VAL 21 3HG1 VAL 21 -6.197 5.375 4.862
139 HG21 VAL 21 3HG2 VAL 21 -8.530 5.511 5.795
140 HG22 VAL 21 1HG2 VAL 21 -7.903 6.028 7.356
141 HG23 VAL 21 2HG2 VAL 21 -8.944 4.608 7.249
142 H CYS 22 H CYS 22 -6.367 1.478 3.974
143 HA CYS 22 HA CYS 22 -4.706 -0.067 5.709
144 HB2 CYS 22 2HB CYS 22 -5.556 -0.230 2.928
145 HB3 CYS 22 1HB CYS 22 -3.850 -0.618 3.128
146 HG CYS 22 HG CYS 22 -5.380 -2.979 3.146
147 H GLY 23 H GLY 23 -2.338 -0.404 5.135
148 HA2 GLY 23 2HA GLY 23 -0.968 1.862 4.032
149 HA3 GLY 23 1HA GLY 23 -0.870 1.786 5.783
150 H GLN 24 H GLN 24 0.913 0.871 6.492
151 HA GLN 24 HA GLN 24 2.578 -0.473 4.536
152 HB2 GLN 24 2HB GLN 24 3.143 0.525 7.336
153 HB3 GLN 24 1HB GLN 24 4.342 -0.238 6.302
154 HG2 GLN 24 2HG GLN 24 4.255 1.543 4.739
155 HG3 GLN 24 1HG GLN 24 2.838 2.243 5.517
156 HE21 GLN 24 1HE2 GLN 24 3.806 1.868 8.203
157 HE22 GLN 24 2HE2 GLN 24 5.083 3.014 8.443
158 H GLY 25 H GLY 25 2.888 -2.563 4.448
159 HA2 GLY 25 2HA GLY 25 3.207 -4.729 5.442
160 HA3 GLY 25 1HA GLY 25 2.130 -4.244 6.751
161 H ASN 26 H ASN 26 0.748 -2.986 4.138
162 HA ASN 26 HA ASN 26 -0.599 -5.459 3.308
163 HB2 ASN 26 2HB ASN 26 -1.858 -2.870 4.178
164 HB3 ASN 26 1HB ASN 26 -2.695 -3.964 3.084
165 HD21 ASN 26 1HD2 ASN 26 -1.560 -3.460 6.322
166 HD22 ASN 26 2HD2 ASN 26 -2.413 -4.780 7.039
167 H LYS 27 H LYS 27 -1.482 -5.442 1.230
168 HA LYS 27 HA LYS 27 -0.658 -3.241 -0.528
169 HB2 LYS 27 2HB LYS 27 0.903 -5.066 -0.897
170 HB3 LYS 27 1HB LYS 27 -0.420 -6.215 -1.053
171 HG2 LYS 27 2HG LYS 27 -0.555 -5.827 -3.224
172 HG3 LYS 27 1HG LYS 27 -0.779 -4.101 -2.940
173 HD2 LYS 27 2HD LYS 27 1.151 -4.409 -4.340
174 HD3 LYS 27 1HD LYS 27 1.688 -3.866 -2.747
175 HE2 LYS 27 2HE LYS 27 3.115 -5.645 -3.608
176 HE3 LYS 27 1HE LYS 27 2.268 -6.152 -2.149
177 HZ1 LYS 27 3HZ LYS 27 0.862 -7.536 -3.365
178 HZ2 LYS 27 1HZ LYS 27 2.377 -7.783 -4.076
179 HZ3 LYS 27 2HZ LYS 27 1.225 -6.801 -4.846
180 H CYS 28 H CYS 28 -2.485 -2.342 -1.233
181 HA CYS 28 HA CYS 28 -4.915 -3.926 -1.323
182 HB2 CYS 28 2HB CYS 28 -4.485 -0.965 -1.743
183 HB3 CYS 28 1HB CYS 28 -6.039 -1.776 -1.583
184 HG CYS 28 HG CYS 28 -3.832 -2.160 0.941
185 H ILE 29 H ILE 29 -5.707 -4.728 -3.113
186 HA ILE 29 HA ILE 29 -4.910 -3.572 -5.685
187 HB ILE 29 HB ILE 29 -5.012 -5.936 -6.593
188 HG12 ILE 29 2HG1 ILE 29 -4.737 -6.629 -3.660
189 HG13 ILE 29 1HG1 ILE 29 -6.178 -6.913 -4.630
190 HG21 ILE 29 1HG2 ILE 29 -2.713 -6.470 -5.860
191 HG22 ILE 29 2HG2 ILE 29 -2.846 -5.227 -4.617
192 HG23 ILE 29 3HG2 ILE 29 -2.909 -4.780 -6.321
193 HD11 ILE 29 3HD1 ILE 29 -4.878 -8.945 -4.351
194 HD12 ILE 29 1HD1 ILE 29 -3.477 -8.160 -5.079
195 HD13 ILE 29 2HD1 ILE 29 -4.923 -8.452 -6.044
196 H LEU 30 H LEU 30 -6.487 -3.373 -7.138
197 HA LEU 30 HA LEU 30 -9.154 -3.327 -6.373
198 HB2 LEU 30 2HB LEU 30 -7.810 -3.251 -9.060
199 HB3 LEU 30 1HB LEU 30 -9.558 -3.239 -8.921
200 HG LEU 30 HG LEU 30 -9.282 -1.190 -7.433
201 HD11 LEU 30 1HD1 LEU 30 -7.257 0.115 -7.725
202 HD12 LEU 30 2HD1 LEU 30 -6.528 -1.209 -8.635
203 HD13 LEU 30 3HD1 LEU 30 -6.922 -1.421 -6.929
204 HD21 LEU 30 3HD2 LEU 30 -8.458 -1.014 -10.326
205 HD22 LEU 30 1HD2 LEU 30 -9.073 0.321 -9.350
206 HD23 LEU 30 2HD2 LEU 30 -10.112 -1.059 -9.712
207 H GLY 31 H GLY 31 -10.562 -4.815 -6.117
208 HA2 GLY 31 2HA GLY 31 -9.990 -7.543 -6.390
209 HA3 GLY 31 1HA GLY 31 -11.540 -6.859 -5.972
210 H ARG 32 H ARG 32 -12.198 -5.460 -8.179
211 HA ARG 32 HA ARG 32 -12.916 -5.502 -10.330
212 HB2 ARG 32 2HB ARG 32 -11.246 -7.978 -10.774
213 HB3 ARG 32 1HB ARG 32 -11.863 -6.873 -11.987
214 HG2 ARG 32 2HG ARG 32 -9.802 -6.176 -9.907
215 HG3 ARG 32 1HG ARG 32 -9.455 -6.599 -11.582
216 HD2 ARG 32 2HD ARG 32 -11.342 -4.364 -10.999
217 HD3 ARG 32 1HD ARG 32 -9.608 -4.094 -10.834
218 HE ARG 32 HE ARG 32 -10.639 -5.209 -13.345
219 HH11 ARG 32 1HH1 ARG 32 -9.266 -2.508 -11.586
220 HH12 ARG 32 2HH1 ARG 32 -8.701 -1.691 -13.010
221 HH21 ARG 32 1HH2 ARG 32 -9.902 -4.136 -15.230
222 HH22 ARG 32 2HH2 ARG 32 -9.098 -2.599 -15.087
223 H GLY 33 H GLY 33 -14.512 -6.567 -11.619
224 HA2 GLY 33 2HA GLY 33 -16.280 -7.980 -12.011
225 HA3 GLY 33 1HA GLY 33 -15.426 -9.194 -11.068
226 H ASP 34 H ASP 34 -16.120 -9.679 -9.094
227 HA ASP 34 HA ASP 34 -18.532 -8.332 -8.137
228 HB2 ASP 34 2HB ASP 34 -17.208 -10.895 -7.204
229 HB3 ASP 34 1HB ASP 34 -18.747 -10.269 -6.618
230 H SER 35 H SER 35 -15.618 -7.479 -7.955
231 HA SER 35 HA SER 35 -15.655 -6.677 -5.145
232 HB2 SER 35 2HB SER 35 -14.262 -8.799 -5.503
233 HB3 SER 35 1HB SER 35 -13.182 -7.810 -6.467
234 HG SER 35 HG SER 35 -13.504 -7.934 -3.733
235 H LYS 36 H LYS 36 -13.840 -4.955 -4.831
236 HA LYS 36 HA LYS 36 -13.147 -3.690 -7.362
237 HB2 LYS 36 2HB LYS 36 -13.720 -1.450 -6.401
238 HB3 LYS 36 1HB LYS 36 -15.074 -2.472 -6.839
239 HG2 LYS 36 2HG LYS 36 -15.732 -1.533 -4.826
240 HG3 LYS 36 1HG LYS 36 -15.125 -3.119 -4.350
241 HD2 LYS 36 2HD LYS 36 -13.071 -2.179 -3.583
242 HD3 LYS 36 1HD LYS 36 -13.466 -0.610 -4.277
243 HE2 LYS 36 2HE LYS 36 -15.382 -0.450 -2.714
244 HE3 LYS 36 1HE LYS 36 -14.876 -1.973 -1.985
245 HZ1 LYS 36 3HZ LYS 36 -14.132 0.125 -0.835
246 HZ2 LYS 36 1HZ LYS 36 -13.095 0.391 -2.146
247 HZ3 LYS 36 2HZ LYS 36 -12.906 -0.991 -1.181
248 H ASN 37 H ASN 37 -12.518 -4.008 -3.925
249 HA ASN 37 HA ASN 37 -9.717 -3.673 -4.456
250 HB2 ASN 37 2HB ASN 37 -11.210 -1.476 -3.417
251 HB3 ASN 37 1HB ASN 37 -10.164 -2.087 -2.134
252 HD21 ASN 37 1HD2 ASN 37 -7.929 -2.133 -2.465
253 HD22 ASN 37 2HD2 ASN 37 -7.183 -1.138 -3.660
254 H GLN 38 H GLN 38 -8.470 -4.854 -3.054
255 HA GLN 38 HA GLN 38 -9.687 -5.711 -0.538
256 HB2 GLN 38 2HB GLN 38 -10.131 -7.513 -2.161
257 HB3 GLN 38 1HB GLN 38 -8.411 -7.624 -2.502
258 HG2 GLN 38 2HG GLN 38 -9.236 -9.387 -0.990
259 HG3 GLN 38 1HG GLN 38 -7.956 -8.403 -0.284
260 HE21 GLN 38 1HE2 GLN 38 -11.354 -9.162 -0.227
261 HE22 GLN 38 2HE2 GLN 38 -11.683 -8.438 1.317
262 H CYS 39 H CYS 39 -8.283 -5.982 1.127
263 HA CYS 39 HA CYS 39 -5.595 -4.957 0.730
264 HB2 CYS 39 2HB CYS 39 -7.145 -5.607 3.229
265 HB3 CYS 39 1HB CYS 39 -5.539 -4.907 3.205
266 HG CYS 39 HG CYS 39 -7.073 -2.781 3.823
267 H VAL 40 H VAL 40 -4.467 -6.686 -0.180
268 HA VAL 40 HA VAL 40 -4.303 -9.158 1.347
269 HB VAL 40 HB VAL 40 -4.286 -8.960 -1.227
270 HG11 VAL 40 1HG1 VAL 40 -2.097 -8.733 -2.271
271 HG12 VAL 40 2HG1 VAL 40 -1.379 -8.359 -0.703
272 HG13 VAL 40 3HG1 VAL 40 -2.559 -7.259 -1.419
273 HG21 VAL 40 3HG2 VAL 40 -2.822 -10.932 -1.444
274 HG22 VAL 40 1HG2 VAL 40 -3.922 -11.057 -0.070
275 HG23 VAL 40 2HG2 VAL 40 -2.226 -10.648 0.193
276 H THR 41 H THR 41 -2.113 -9.940 2.018
277 HA THR 41 HA THR 41 -0.821 -7.736 3.391
278 HB THR 41 HB THR 41 0.500 -9.737 4.433
279 HG1 THR 41 HG1 THR 41 -1.872 -11.084 3.576
280 HG21 THR 41 3HG2 THR 41 -1.091 -8.342 5.646
281 HG22 THR 41 1HG2 THR 41 -1.283 -10.038 6.093
282 HG23 THR 41 2HG2 THR 41 -2.434 -9.280 4.990
283 H GLY 42 H GLY 42 1.080 -6.918 2.925
284 HA2 GLY 42 2HA GLY 42 3.340 -8.206 2.027
285 HA3 GLY 42 1HA GLY 42 2.485 -7.705 0.575
286 H GLU 43 H GLU 43 3.577 -6.021 -0.198
287 HA GLU 43 HA GLU 43 3.829 -3.694 1.557
288 HB2 GLU 43 2HB GLU 43 6.063 -3.205 0.447
289 HB3 GLU 43 1HB GLU 43 6.046 -4.512 1.621
290 HG2 GLU 43 2HG GLU 43 6.033 -6.155 -0.145
291 HG3 GLU 43 1HG GLU 43 5.906 -4.886 -1.363
292 H GLY 44 H GLY 44 2.633 -2.177 0.686
293 HA2 GLY 44 2HA GLY 44 2.260 -2.164 -2.225
294 HA3 GLY 44 1HA GLY 44 1.192 -1.408 -1.051
295 H THR 45 H THR 45 1.213 0.602 -1.970
296 HA THR 45 HA THR 45 3.620 2.177 -1.540
297 HB THR 45 HB THR 45 2.474 3.012 -4.029
298 HG1 THR 45 HG1 THR 45 2.216 0.455 -3.833
299 HG21 THR 45 3HG2 THR 45 5.170 1.817 -3.375
300 HG22 THR 45 1HG2 THR 45 4.739 3.521 -3.234
301 HG23 THR 45 2HG2 THR 45 4.773 2.749 -4.819
302 HA PRO 46 HA PRO 46 0.680 5.283 -0.210
303 HB2 PRO 46 2HB PRO 46 2.523 7.183 -1.573
304 HB3 PRO 46 1HB PRO 46 1.910 7.205 0.085
305 HG2 PRO 46 2HG PRO 46 4.425 6.493 -0.425
306 HG3 PRO 46 1HG PRO 46 3.479 5.673 0.830
307 HD2 PRO 46 2HD PRO 46 4.182 4.749 -1.923
308 HD3 PRO 46 1HD PRO 46 4.066 3.819 -0.415
309 H LYS 47 H LYS 47 -0.924 6.604 -1.166
310 HA LYS 47 HA LYS 47 -1.419 5.817 -3.900
311 HB2 LYS 47 2HB LYS 47 -3.054 5.522 -2.013
312 HB3 LYS 47 1HB LYS 47 -3.205 7.275 -1.961
313 HG2 LYS 47 2HG LYS 47 -3.715 6.950 -4.512
314 HG3 LYS 47 1HG LYS 47 -4.161 5.340 -3.972
315 HD2 LYS 47 2HD LYS 47 -5.967 6.061 -2.823
316 HD3 LYS 47 1HD LYS 47 -5.195 7.580 -2.363
317 HE2 LYS 47 2HE LYS 47 -5.978 7.037 -5.187
318 HE3 LYS 47 1HE LYS 47 -7.167 7.640 -4.033
319 HZ1 LYS 47 3HZ LYS 47 -6.168 9.446 -5.268
320 HZ2 LYS 47 1HZ LYS 47 -4.613 8.971 -4.786
321 HZ3 LYS 47 2HZ LYS 47 -5.720 9.551 -3.641
322 HA PRO 48 HA PRO 48 -0.104 9.897 -5.289
323 HB2 PRO 48 2HB PRO 48 -0.730 9.347 -7.920
324 HB3 PRO 48 1HB PRO 48 0.827 9.021 -7.159
325 HG2 PRO 48 2HG PRO 48 -1.438 7.171 -7.720
326 HG3 PRO 48 1HG PRO 48 0.306 6.864 -7.789
327 HD2 PRO 48 2HD PRO 48 -1.243 6.016 -5.745
328 HD3 PRO 48 1HD PRO 48 0.456 6.480 -5.528
329 H GLN 49 H GLN 49 -1.131 11.589 -6.480
330 HA GLN 49 HA GLN 49 -3.975 11.464 -6.944
331 HB2 GLN 49 2HB GLN 49 -4.190 13.532 -5.312
332 HB3 GLN 49 1HB GLN 49 -4.359 11.887 -4.718
333 HG2 GLN 49 2HG GLN 49 -1.976 11.932 -4.057
334 HG3 GLN 49 1HG GLN 49 -1.909 13.626 -4.538
335 HE21 GLN 49 1HE2 GLN 49 -4.736 12.229 -3.064
336 HE22 GLN 49 2HE2 GLN 49 -4.601 13.064 -1.552
337 H SER 50 H SER 50 -1.190 13.600 -6.449
338 HA SER 50 HA SER 50 -2.038 15.355 -8.576
339 HB2 SER 50 2HB SER 50 0.681 15.278 -7.278
340 HB3 SER 50 1HB SER 50 -0.162 16.663 -7.973
341 HG SER 50 HG SER 50 -0.766 17.006 -5.987
342 H HIS 51 H HIS 51 0.637 13.081 -7.984
343 HA HIS 51 HA HIS 51 1.378 13.177 -10.815
344 HB2 HIS 51 2HB HIS 51 2.617 11.585 -8.577
345 HB3 HIS 51 1HB HIS 51 3.304 11.828 -10.175
346 HD1 HIS 51 HD1 HIS 51 4.847 12.585 -7.599
347 HD2 HIS 51 HD2 HIS 51 2.581 15.236 -9.872
348 HE1 HIS 51 HE1 HIS 51 5.752 14.874 -7.081
349 HE2 HIS 51 HE2 HIS 51 4.439 16.454 -8.542
Start of MODEL 18
1 H1 VAL 1 1H VAL 1 -5.762 15.468 7.907
2 H2 VAL 1 2H VAL 1 -4.783 14.143 7.512
3 H3 VAL 1 3H VAL 1 -4.863 14.686 9.112
4 HA VAL 1 HA VAL 1 -6.139 12.681 8.831
5 HB VAL 1 HB VAL 1 -8.305 13.461 9.707
6 HG11 VAL 1 1HG1 VAL 1 -5.966 15.003 10.818
7 HG12 VAL 1 2HG1 VAL 1 -6.368 13.327 11.194
8 HG13 VAL 1 3HG1 VAL 1 -7.464 14.626 11.669
9 HG21 VAL 1 3HG2 VAL 1 -7.288 16.215 9.009
10 HG22 VAL 1 1HG2 VAL 1 -8.741 15.863 9.948
11 HG23 VAL 1 2HG2 VAL 1 -8.648 15.380 8.252
12 H VAL 2 H VAL 2 -5.753 13.761 6.091
13 HA VAL 2 HA VAL 2 -8.410 13.104 5.002
14 HB VAL 2 HB VAL 2 -6.306 14.917 3.809
15 HG11 VAL 2 1HG1 VAL 2 -7.402 13.585 2.066
16 HG12 VAL 2 2HG1 VAL 2 -7.881 15.279 1.973
17 HG13 VAL 2 3HG1 VAL 2 -8.981 14.091 2.671
18 HG21 VAL 2 3HG2 VAL 2 -9.098 15.461 4.818
19 HG22 VAL 2 1HG2 VAL 2 -8.047 16.636 4.025
20 HG23 VAL 2 2HG2 VAL 2 -7.589 15.958 5.586
21 H TYR 3 H TYR 3 -8.387 11.089 4.357
22 HA TYR 3 HA TYR 3 -6.014 10.042 2.977
23 HB2 TYR 3 2HB TYR 3 -8.393 8.633 4.209
24 HB3 TYR 3 1HB TYR 3 -7.118 7.819 3.311
25 HD1 TYR 3 HD1 TYR 3 -4.881 7.589 4.256
26 HD2 TYR 3 HD2 TYR 3 -8.010 9.455 6.447
27 HE1 TYR 3 HE1 TYR 3 -3.560 7.371 6.314
28 HE2 TYR 3 HE2 TYR 3 -6.697 9.238 8.514
29 HH TYR 3 HH TYR 3 -4.788 7.595 9.314
30 H THR 4 H THR 4 -6.812 8.274 1.277
31 HA THR 4 HA THR 4 -8.955 9.434 -0.344
32 HB THR 4 HB THR 4 -7.453 8.996 -2.376
33 HG1 THR 4 HG1 THR 4 -5.638 8.684 -0.250
34 HG21 THR 4 3HG2 THR 4 -8.056 11.247 -1.642
35 HG22 THR 4 1HG2 THR 4 -6.386 11.203 -2.207
36 HG23 THR 4 2HG2 THR 4 -6.732 11.230 -0.478
37 H ASP 5 H ASP 5 -9.519 7.946 -2.186
38 HA ASP 5 HA ASP 5 -9.753 5.245 -1.114
39 HB2 ASP 5 2HB ASP 5 -10.876 6.361 -3.700
40 HB3 ASP 5 1HB ASP 5 -11.380 4.892 -2.875
41 H CYS 6 H CYS 6 -8.822 3.427 -2.052
42 HA CYS 6 HA CYS 6 -6.483 3.754 -3.563
43 HB2 CYS 6 2HB CYS 6 -8.127 1.233 -3.506
44 HB3 CYS 6 1HB CYS 6 -6.402 1.392 -3.807
45 HG CYS 6 HG CYS 6 -8.077 1.485 -0.853
46 H THR 7 H THR 7 -6.108 3.891 -5.650
47 HA THR 7 HA THR 7 -8.411 3.698 -7.474
48 HB THR 7 HB THR 7 -5.903 5.286 -7.954
49 HG1 THR 7 HG1 THR 7 -8.236 5.953 -6.500
50 HG21 THR 7 3HG2 THR 7 -8.700 5.560 -9.062
51 HG22 THR 7 1HG2 THR 7 -7.351 4.797 -9.902
52 HG23 THR 7 2HG2 THR 7 -7.297 6.519 -9.526
53 H GLU 8 H GLU 8 -5.153 2.723 -6.811
54 HA GLU 8 HA GLU 8 -5.119 1.184 -9.311
55 HB2 GLU 8 2HB GLU 8 -3.322 3.175 -8.527
56 HB3 GLU 8 1HB GLU 8 -2.491 1.670 -8.185
57 HG2 GLU 8 2HG GLU 8 -3.684 2.425 -10.844
58 HG3 GLU 8 1HG GLU 8 -1.976 2.527 -10.414
59 H SER 9 H SER 9 -4.064 -0.833 -9.207
60 HA SER 9 HA SER 9 -4.445 -2.124 -6.632
61 HB2 SER 9 2HB SER 9 -3.823 -3.248 -9.380
62 HB3 SER 9 1HB SER 9 -4.171 -4.214 -7.943
63 HG SER 9 HG SER 9 -5.887 -3.010 -9.649
64 H GLY 10 H GLY 10 -2.790 -2.324 -5.282
65 HA2 GLY 10 2HA GLY 10 -0.451 -3.201 -5.086
66 HA3 GLY 10 1HA GLY 10 -0.061 -2.104 -6.403
67 H GLN 11 H GLN 11 -2.213 -0.370 -4.884
68 HA GLN 11 HA GLN 11 -0.260 1.106 -3.301
69 HB2 GLN 11 2HB GLN 11 -2.925 1.631 -4.451
70 HB3 GLN 11 1HB GLN 11 -2.666 2.358 -2.864
71 HG2 GLN 11 2HG GLN 11 -1.656 4.027 -3.919
72 HG3 GLN 11 1HG GLN 11 -0.343 2.906 -4.275
73 HE21 GLN 11 1HE2 GLN 11 -3.124 4.539 -5.497
74 HE22 GLN 11 2HE2 GLN 11 -2.832 4.213 -7.165
75 H ASN 12 H ASN 12 -1.039 1.898 -1.065
76 HA ASN 12 HA ASN 12 -2.706 -0.103 0.251
77 HB2 ASN 12 2HB ASN 12 -1.020 -0.092 2.179
78 HB3 ASN 12 1HB ASN 12 -0.700 -1.087 0.771
79 HD21 ASN 12 1HD2 ASN 12 1.471 -1.133 1.412
80 HD22 ASN 12 2HD2 ASN 12 2.529 0.201 1.092
81 H LEU 13 H LEU 13 -0.797 2.787 0.950
82 HA LEU 13 HA LEU 13 -2.206 3.629 3.220
83 HB2 LEU 13 2HB LEU 13 -0.517 5.149 1.244
84 HB3 LEU 13 1HB LEU 13 -1.144 5.864 2.715
85 HG LEU 13 HG LEU 13 0.621 3.422 2.738
86 HD11 LEU 13 1HD1 LEU 13 2.479 4.926 3.253
87 HD12 LEU 13 2HD1 LEU 13 1.430 6.318 2.985
88 HD13 LEU 13 3HD1 LEU 13 1.828 5.242 1.645
89 HD21 LEU 13 3HD2 LEU 13 -0.773 3.921 4.733
90 HD22 LEU 13 1HD2 LEU 13 0.028 5.484 4.855
91 HD23 LEU 13 2HD2 LEU 13 0.959 3.999 5.049
92 H CYS 14 H CYS 14 -4.295 3.044 1.858
93 HA CYS 14 HA CYS 14 -5.709 5.541 1.514
94 HB2 CYS 14 2HB CYS 14 -6.669 4.437 -0.715
95 HB3 CYS 14 1HB CYS 14 -5.264 5.492 -0.742
96 HG CYS 14 HG CYS 14 -5.216 2.070 -0.818
97 H LEU 15 H LEU 15 -8.102 5.153 1.440
98 HA LEU 15 HA LEU 15 -8.811 2.890 3.041
99 HB2 LEU 15 2HB LEU 15 -11.233 3.720 2.153
100 HB3 LEU 15 1HB LEU 15 -10.423 4.348 3.566
101 HG LEU 15 HG LEU 15 -9.924 5.691 0.947
102 HD11 LEU 15 1HD1 LEU 15 -12.395 6.068 2.646
103 HD12 LEU 15 2HD1 LEU 15 -12.354 5.408 1.011
104 HD13 LEU 15 3HD1 LEU 15 -11.909 7.091 1.292
105 HD21 LEU 15 3HD2 LEU 15 -9.810 7.656 2.408
106 HD22 LEU 15 1HD2 LEU 15 -8.703 6.389 2.937
107 HD23 LEU 15 2HD2 LEU 15 -10.225 6.644 3.792
108 H CYS 16 H CYS 16 -8.800 0.982 2.297
109 HA CYS 16 HA CYS 16 -9.150 0.433 -0.512
110 HB2 CYS 16 2HB CYS 16 -7.252 -0.510 0.704
111 HB3 CYS 16 1HB CYS 16 -8.350 -1.307 1.816
112 HG CYS 16 HG CYS 16 -7.419 -3.334 0.311
113 H GLU 17 H GLU 17 -10.186 -1.368 2.353
114 HA GLU 17 HA GLU 17 -12.708 -2.045 1.103
115 HB2 GLU 17 2HB GLU 17 -11.422 -3.629 2.586
116 HB3 GLU 17 1HB GLU 17 -11.796 -2.576 3.940
117 HG2 GLU 17 2HG GLU 17 -13.261 -4.556 3.788
118 HG3 GLU 17 1HG GLU 17 -14.135 -3.026 3.734
119 H GLY 18 H GLY 18 -14.751 -1.620 2.263
120 HA2 GLY 18 2HA GLY 18 -15.928 0.594 2.301
121 HA3 GLY 18 1HA GLY 18 -16.055 -0.288 3.804
122 H SER 19 H SER 19 -14.543 0.316 5.541
123 HA SER 19 HA SER 19 -13.641 3.103 5.266
124 HB2 SER 19 2HB SER 19 -14.069 3.208 7.783
125 HB3 SER 19 1HB SER 19 -15.493 3.153 6.745
126 HG SER 19 HG SER 19 -16.044 1.363 7.688
127 H ASN 20 H ASN 20 -12.335 0.313 5.057
128 HA ASN 20 HA ASN 20 -10.384 0.413 7.212
129 HB2 ASN 20 2HB ASN 20 -10.685 -1.446 4.854
130 HB3 ASN 20 1HB ASN 20 -9.417 -1.590 6.059
131 HD21 ASN 20 1HD2 ASN 20 -12.622 -0.594 6.964
132 HD22 ASN 20 2HD2 ASN 20 -13.066 -2.058 7.769
133 H VAL 21 H VAL 21 -8.967 2.046 6.972
134 HA VAL 21 HA VAL 21 -7.807 2.607 4.363
135 HB VAL 21 HB VAL 21 -7.145 3.928 7.005
136 HG11 VAL 21 1HG1 VAL 21 -6.653 4.787 4.160
137 HG12 VAL 21 2HG1 VAL 21 -5.440 4.173 5.282
138 HG13 VAL 21 3HG1 VAL 21 -6.243 5.709 5.607
139 HG21 VAL 21 3HG2 VAL 21 -9.513 4.233 6.493
140 HG22 VAL 21 1HG2 VAL 21 -9.097 4.811 4.879
141 HG23 VAL 21 2HG2 VAL 21 -8.628 5.744 6.298
142 H CYS 22 H CYS 22 -6.319 1.203 3.755
143 HA CYS 22 HA CYS 22 -4.746 -0.248 5.670
144 HB2 CYS 22 2HB CYS 22 -5.398 -0.501 2.847
145 HB3 CYS 22 1HB CYS 22 -3.689 -0.759 3.146
146 HG CYS 22 HG CYS 22 -4.750 -2.480 5.478
147 H GLY 23 H GLY 23 -2.337 -0.509 5.193
148 HA2 GLY 23 2HA GLY 23 -1.035 1.922 4.311
149 HA3 GLY 23 1HA GLY 23 -0.898 1.575 6.031
150 H GLN 24 H GLN 24 1.111 0.844 6.379
151 HA GLN 24 HA GLN 24 2.492 -0.510 4.221
152 HB2 GLN 24 2HB GLN 24 3.394 0.441 6.937
153 HB3 GLN 24 1HB GLN 24 4.451 -0.369 5.789
154 HG2 GLN 24 2HG GLN 24 4.165 1.415 4.197
155 HG3 GLN 24 1HG GLN 24 2.984 2.202 5.243
156 HE21 GLN 24 1HE2 GLN 24 4.459 1.601 7.667
157 HE22 GLN 24 2HE2 GLN 24 5.821 2.669 7.687
158 H GLY 25 H GLY 25 3.339 -2.539 4.278
159 HA2 GLY 25 2HA GLY 25 3.556 -4.737 5.090
160 HA3 GLY 25 1HA GLY 25 2.483 -4.331 6.427
161 H ASN 26 H ASN 26 0.891 -2.978 4.071
162 HA ASN 26 HA ASN 26 -0.450 -5.451 3.209
163 HB2 ASN 26 2HB ASN 26 -1.687 -2.756 3.813
164 HB3 ASN 26 1HB ASN 26 -2.549 -4.130 3.129
165 HD21 ASN 26 1HD2 ASN 26 -0.972 -2.865 5.972
166 HD22 ASN 26 2HD2 ASN 26 -1.659 -3.985 7.090
167 H LYS 27 H LYS 27 -1.541 -5.325 1.155
168 HA LYS 27 HA LYS 27 -0.734 -3.160 -0.617
169 HB2 LYS 27 2HB LYS 27 0.989 -4.851 -0.935
170 HB3 LYS 27 1HB LYS 27 -0.232 -6.090 -1.182
171 HG2 LYS 27 2HG LYS 27 -0.646 -5.453 -3.319
172 HG3 LYS 27 1HG LYS 27 -0.309 -3.751 -2.993
173 HD2 LYS 27 2HD LYS 27 1.400 -4.723 -4.454
174 HD3 LYS 27 1HD LYS 27 2.083 -4.231 -2.903
175 HE2 LYS 27 2HE LYS 27 3.044 -6.313 -3.279
176 HE3 LYS 27 1HE LYS 27 1.706 -6.672 -2.193
177 HZ1 LYS 27 3HZ LYS 27 0.386 -7.293 -4.178
178 HZ2 LYS 27 1HZ LYS 27 1.747 -8.281 -3.937
179 HZ3 LYS 27 2HZ LYS 27 1.774 -7.077 -5.130
180 H CYS 28 H CYS 28 -2.629 -2.410 -1.287
181 HA CYS 28 HA CYS 28 -4.959 -4.136 -1.348
182 HB2 CYS 28 2HB CYS 28 -4.678 -1.158 -1.774
183 HB3 CYS 28 1HB CYS 28 -6.195 -2.036 -1.615
184 HG CYS 28 HG CYS 28 -4.587 -0.587 0.709
185 H ILE 29 H ILE 29 -6.014 -4.759 -3.144
186 HA ILE 29 HA ILE 29 -5.190 -3.612 -5.710
187 HB ILE 29 HB ILE 29 -5.414 -5.926 -6.706
188 HG12 ILE 29 2HG1 ILE 29 -5.112 -6.756 -3.819
189 HG13 ILE 29 1HG1 ILE 29 -6.595 -6.918 -4.754
190 HG21 ILE 29 1HG2 ILE 29 -3.250 -4.799 -6.300
191 HG22 ILE 29 2HG2 ILE 29 -3.141 -6.554 -6.161
192 HG23 ILE 29 3HG2 ILE 29 -3.183 -5.556 -4.707
193 HD11 ILE 29 3HD1 ILE 29 -5.454 -8.442 -6.285
194 HD12 ILE 29 1HD1 ILE 29 -5.409 -9.028 -4.622
195 HD13 ILE 29 2HD1 ILE 29 -3.978 -8.282 -5.334
196 H LEU 30 H LEU 30 -6.753 -3.305 -7.130
197 HA LEU 30 HA LEU 30 -9.494 -3.654 -6.238
198 HB2 LEU 30 2HB LEU 30 -8.305 -1.997 -8.468
199 HB3 LEU 30 1HB LEU 30 -10.021 -2.107 -8.138
200 HG LEU 30 HG LEU 30 -9.445 -1.208 -5.801
201 HD11 LEU 30 1HD1 LEU 30 -7.043 -1.525 -5.887
202 HD12 LEU 30 2HD1 LEU 30 -7.439 0.182 -5.687
203 HD13 LEU 30 3HD1 LEU 30 -6.931 -0.426 -7.263
204 HD21 LEU 30 3HD2 LEU 30 -9.110 0.534 -8.236
205 HD22 LEU 30 1HD2 LEU 30 -9.511 1.099 -6.614
206 HD23 LEU 30 2HD2 LEU 30 -10.640 0.064 -7.491
207 H GLY 31 H GLY 31 -10.170 -5.669 -6.773
208 HA2 GLY 31 2HA GLY 31 -9.665 -6.613 -9.506
209 HA3 GLY 31 1HA GLY 31 -10.228 -7.601 -8.162
210 H ARG 32 H ARG 32 -12.292 -8.098 -8.135
211 HA ARG 32 HA ARG 32 -14.325 -6.292 -9.071
212 HB2 ARG 32 2HB ARG 32 -15.316 -7.962 -10.668
213 HB3 ARG 32 1HB ARG 32 -13.822 -7.222 -11.222
214 HG2 ARG 32 2HG ARG 32 -13.727 -9.849 -9.809
215 HG3 ARG 32 1HG ARG 32 -14.216 -9.780 -11.503
216 HD2 ARG 32 2HD ARG 32 -12.139 -8.718 -12.108
217 HD3 ARG 32 1HD ARG 32 -11.665 -8.602 -10.415
218 HE ARG 32 HE ARG 32 -12.132 -11.298 -11.046
219 HH11 ARG 32 1HH1 ARG 32 -9.894 -8.732 -11.884
220 HH12 ARG 32 2HH1 ARG 32 -8.520 -9.792 -12.031
221 HH21 ARG 32 1HH2 ARG 32 -10.343 -12.713 -11.265
222 HH22 ARG 32 2HH2 ARG 32 -8.777 -12.068 -11.674
223 H GLY 33 H GLY 33 -16.521 -7.231 -8.693
224 HA2 GLY 33 2HA GLY 33 -17.970 -8.629 -7.515
225 HA3 GLY 33 1HA GLY 33 -16.601 -9.549 -6.953
226 H ASP 34 H ASP 34 -17.119 -9.590 -4.823
227 HA ASP 34 HA ASP 34 -17.337 -7.085 -3.345
228 HB2 ASP 34 2HB ASP 34 -17.505 -8.472 -1.359
229 HB3 ASP 34 1HB ASP 34 -18.546 -9.170 -2.594
230 H SER 35 H SER 35 -15.108 -8.871 -4.831
231 HA SER 35 HA SER 35 -12.841 -8.246 -3.124
232 HB2 SER 35 2HB SER 35 -13.312 -9.864 -5.612
233 HB3 SER 35 1HB SER 35 -11.687 -9.447 -5.117
234 HG SER 35 HG SER 35 -13.394 -10.533 -3.191
235 H LYS 36 H LYS 36 -14.419 -6.135 -4.334
236 HA LYS 36 HA LYS 36 -13.281 -5.192 -6.725
237 HB2 LYS 36 2HB LYS 36 -14.401 -3.003 -6.075
238 HB3 LYS 36 1HB LYS 36 -15.436 -4.405 -6.255
239 HG2 LYS 36 2HG LYS 36 -16.238 -3.300 -4.366
240 HG3 LYS 36 1HG LYS 36 -15.297 -4.640 -3.721
241 HD2 LYS 36 2HD LYS 36 -13.439 -3.155 -3.265
242 HD3 LYS 36 1HD LYS 36 -14.302 -1.811 -4.011
243 HE2 LYS 36 2HE LYS 36 -14.397 -1.737 -1.556
244 HE3 LYS 36 1HE LYS 36 -15.995 -1.893 -2.281
245 HZ1 LYS 36 3HZ LYS 36 -15.461 -3.347 -0.286
246 HZ2 LYS 36 1HZ LYS 36 -14.479 -4.249 -1.330
247 HZ3 LYS 36 2HZ LYS 36 -16.144 -4.122 -1.636
248 H ASN 37 H ASN 37 -12.383 -4.741 -3.403
249 HA ASN 37 HA ASN 37 -9.844 -3.652 -4.196
250 HB2 ASN 37 2HB ASN 37 -11.695 -1.755 -3.753
251 HB3 ASN 37 1HB ASN 37 -11.221 -2.052 -2.085
252 HD21 ASN 37 1HD2 ASN 37 -8.448 -2.739 -2.971
253 HD22 ASN 37 2HD2 ASN 37 -7.710 -1.217 -3.304
254 H GLN 38 H GLN 38 -8.815 -5.399 -3.195
255 HA GLN 38 HA GLN 38 -9.666 -5.976 -0.430
256 HB2 GLN 38 2HB GLN 38 -9.872 -7.700 -2.383
257 HB3 GLN 38 1HB GLN 38 -8.160 -7.947 -2.103
258 HG2 GLN 38 2HG GLN 38 -10.170 -8.151 0.113
259 HG3 GLN 38 1HG GLN 38 -9.807 -9.512 -0.944
260 HE21 GLN 38 1HE2 GLN 38 -7.039 -8.966 -1.251
261 HE22 GLN 38 2HE2 GLN 38 -6.279 -9.297 0.270
262 H CYS 39 H CYS 39 -8.224 -6.108 1.176
263 HA CYS 39 HA CYS 39 -5.578 -5.013 0.714
264 HB2 CYS 39 2HB CYS 39 -7.066 -5.674 3.249
265 HB3 CYS 39 1HB CYS 39 -5.472 -4.950 3.200
266 HG CYS 39 HG CYS 39 -6.698 -2.702 3.663
267 H VAL 40 H VAL 40 -4.250 -6.628 -0.068
268 HA VAL 40 HA VAL 40 -4.152 -9.144 1.414
269 HB VAL 40 HB VAL 40 -4.099 -8.823 -1.198
270 HG11 VAL 40 1HG1 VAL 40 -1.181 -8.589 -0.502
271 HG12 VAL 40 2HG1 VAL 40 -2.174 -7.369 -1.301
272 HG13 VAL 40 3HG1 VAL 40 -1.827 -8.895 -2.115
273 HG21 VAL 40 3HG2 VAL 40 -2.893 -10.962 -1.405
274 HG22 VAL 40 1HG2 VAL 40 -4.086 -10.968 -0.105
275 HG23 VAL 40 2HG2 VAL 40 -2.370 -10.802 0.272
276 H THR 41 H THR 41 -2.016 -9.958 2.115
277 HA THR 41 HA THR 41 -0.598 -7.804 3.439
278 HB THR 41 HB THR 41 0.614 -9.678 4.589
279 HG1 THR 41 HG1 THR 41 -0.013 -11.155 2.708
280 HG21 THR 41 3HG2 THR 41 -2.400 -9.755 4.722
281 HG22 THR 41 1HG2 THR 41 -1.357 -8.630 5.594
282 HG23 THR 41 2HG2 THR 41 -1.300 -10.355 5.963
283 H GLY 42 H GLY 42 1.301 -7.023 2.855
284 HA2 GLY 42 2HA GLY 42 3.494 -8.420 1.888
285 HA3 GLY 42 1HA GLY 42 2.614 -7.865 0.469
286 H GLU 43 H GLU 43 3.480 -6.065 -0.332
287 HA GLU 43 HA GLU 43 3.729 -3.786 1.436
288 HB2 GLU 43 2HB GLU 43 5.951 -3.137 0.691
289 HB3 GLU 43 1HB GLU 43 6.017 -4.713 1.462
290 HG2 GLU 43 2HG GLU 43 6.338 -5.818 -0.574
291 HG3 GLU 43 1HG GLU 43 5.836 -4.411 -1.514
292 H GLY 44 H GLY 44 2.884 -2.069 0.479
293 HA2 GLY 44 2HA GLY 44 2.333 -2.313 -2.399
294 HA3 GLY 44 1HA GLY 44 1.285 -1.496 -1.249
295 H THR 45 H THR 45 1.255 0.423 -2.296
296 HA THR 45 HA THR 45 3.732 1.985 -2.260
297 HB THR 45 HB THR 45 2.425 3.021 -4.412
298 HG1 THR 45 HG1 THR 45 1.901 0.240 -4.323
299 HG21 THR 45 3HG2 THR 45 4.816 2.509 -4.301
300 HG22 THR 45 1HG2 THR 45 4.111 1.898 -5.799
301 HG23 THR 45 2HG2 THR 45 4.459 0.790 -4.470
302 HA PRO 46 HA PRO 46 1.074 5.098 -0.415
303 HB2 PRO 46 2HB PRO 46 2.931 7.029 -1.672
304 HB3 PRO 46 1HB PRO 46 2.510 6.830 0.032
305 HG2 PRO 46 2HG PRO 46 4.908 6.085 -0.904
306 HG3 PRO 46 1HG PRO 46 4.077 5.164 0.364
307 HD2 PRO 46 2HD PRO 46 4.322 4.568 -2.560
308 HD3 PRO 46 1HD PRO 46 4.410 3.463 -1.173
309 H LYS 47 H LYS 47 -0.601 6.400 -1.227
310 HA LYS 47 HA LYS 47 -1.052 5.976 -4.061
311 HB2 LYS 47 2HB LYS 47 -2.722 5.607 -2.063
312 HB3 LYS 47 1HB LYS 47 -3.018 7.331 -2.261
313 HG2 LYS 47 2HG LYS 47 -3.330 6.713 -4.760
314 HG3 LYS 47 1HG LYS 47 -3.575 5.086 -4.135
315 HD2 LYS 47 2HD LYS 47 -5.703 5.664 -3.841
316 HD3 LYS 47 1HD LYS 47 -5.136 6.648 -2.489
317 HE2 LYS 47 2HE LYS 47 -5.315 7.622 -5.329
318 HE3 LYS 47 1HE LYS 47 -6.585 7.860 -4.131
319 HZ1 LYS 47 3HZ LYS 47 -3.803 8.895 -3.967
320 HZ2 LYS 47 1HZ LYS 47 -4.997 9.105 -2.778
321 HZ3 LYS 47 2HZ LYS 47 -5.188 9.803 -4.315
322 HA PRO 48 HA PRO 48 0.280 10.233 -4.809
323 HB2 PRO 48 2HB PRO 48 -0.254 9.462 -7.599
324 HB3 PRO 48 1HB PRO 48 1.250 10.020 -6.860
325 HG2 PRO 48 2HG PRO 48 0.946 7.477 -7.641
326 HG3 PRO 48 1HG PRO 48 1.858 7.892 -6.176
327 HD2 PRO 48 2HD PRO 48 -0.962 6.896 -6.431
328 HD3 PRO 48 1HD PRO 48 0.310 6.390 -5.296
329 H GLN 49 H GLN 49 -0.680 11.925 -6.425
330 HA GLN 49 HA GLN 49 -3.563 11.895 -5.884
331 HB2 GLN 49 2HB GLN 49 -3.073 14.497 -6.274
332 HB3 GLN 49 1HB GLN 49 -2.926 13.718 -4.709
333 HG2 GLN 49 2HG GLN 49 -0.583 13.574 -4.885
334 HG3 GLN 49 1HG GLN 49 -0.608 14.013 -6.589
335 HE21 GLN 49 1HE2 GLN 49 -2.571 16.114 -6.224
336 HE22 GLN 49 2HE2 GLN 49 -1.748 17.422 -5.448
337 H SER 50 H SER 50 -1.097 12.654 -8.270
338 HA SER 50 HA SER 50 -3.238 13.055 -10.240
339 HB2 SER 50 2HB SER 50 -0.288 13.679 -10.503
340 HB3 SER 50 1HB SER 50 -1.556 14.109 -11.656
341 HG SER 50 HG SER 50 -2.129 14.945 -9.130
342 H HIS 51 H HIS 51 -0.033 11.495 -10.074
343 HA HIS 51 HA HIS 51 -0.696 9.659 -12.190
344 HB2 HIS 51 2HB HIS 51 1.615 9.812 -10.268
345 HB3 HIS 51 1HB HIS 51 1.457 8.523 -11.453
346 HD1 HIS 51 HD1 HIS 51 1.961 12.271 -11.255
347 HD2 HIS 51 HD2 HIS 51 2.275 9.140 -13.988
348 HE1 HIS 51 HE1 HIS 51 3.081 13.244 -13.289
349 HE2 HIS 51 HE2 HIS 51 3.145 11.368 -14.974
Start of MODEL 19
1 H1 VAL 1 1H VAL 1 -4.416 16.415 3.821
2 H2 VAL 1 2H VAL 1 -3.118 17.109 4.661
3 H3 VAL 1 3H VAL 1 -4.609 16.892 5.436
4 HA VAL 1 HA VAL 1 -2.892 14.705 4.430
5 HB VAL 1 HB VAL 1 -2.475 14.202 6.830
6 HG11 VAL 1 1HG1 VAL 1 -0.834 16.018 7.188
7 HG12 VAL 1 2HG1 VAL 1 -1.567 16.911 5.856
8 HG13 VAL 1 3HG1 VAL 1 -0.782 15.362 5.553
9 HG21 VAL 1 3HG2 VAL 1 -3.749 16.903 7.292
10 HG22 VAL 1 1HG2 VAL 1 -2.874 15.964 8.504
11 HG23 VAL 1 2HG2 VAL 1 -4.377 15.343 7.824
12 H VAL 2 H VAL 2 -5.625 15.024 3.807
13 HA VAL 2 HA VAL 2 -7.114 13.315 5.638
14 HB VAL 2 HB VAL 2 -7.975 14.577 3.020
15 HG11 VAL 2 1HG1 VAL 2 -9.320 12.631 3.636
16 HG12 VAL 2 2HG1 VAL 2 -10.250 14.124 3.758
17 HG13 VAL 2 3HG1 VAL 2 -9.634 13.348 5.217
18 HG21 VAL 2 3HG2 VAL 2 -7.404 16.293 4.629
19 HG22 VAL 2 1HG2 VAL 2 -8.402 15.511 5.854
20 HG23 VAL 2 2HG2 VAL 2 -9.153 16.219 4.425
21 H TYR 3 H TYR 3 -7.925 11.267 5.044
22 HA TYR 3 HA TYR 3 -6.273 9.907 3.072
23 HB2 TYR 3 2HB TYR 3 -8.321 8.846 5.023
24 HB3 TYR 3 1HB TYR 3 -7.410 7.845 3.910
25 HD1 TYR 3 HD2 TYR 3 -6.930 10.263 6.718
26 HD2 TYR 3 HD1 TYR 3 -5.379 6.944 4.553
27 HE1 TYR 3 HE2 TYR 3 -5.135 10.020 8.380
28 HE2 TYR 3 HE1 TYR 3 -3.578 6.697 6.207
29 HH TYR 3 HH TYR 3 -3.614 8.330 9.213
30 H THR 4 H THR 4 -7.191 8.507 1.493
31 HA THR 4 HA THR 4 -9.885 9.174 0.597
32 HB THR 4 HB THR 4 -8.835 9.260 -1.786
33 HG1 THR 4 HG1 THR 4 -6.641 10.540 -1.038
34 HG21 THR 4 3HG2 THR 4 -9.961 11.153 -0.759
35 HG22 THR 4 1HG2 THR 4 -8.504 11.698 -1.587
36 HG23 THR 4 2HG2 THR 4 -8.513 11.538 0.169
37 H ASP 5 H ASP 5 -10.060 7.753 -1.664
38 HA ASP 5 HA ASP 5 -9.851 5.041 -0.619
39 HB2 ASP 5 2HB ASP 5 -11.058 6.033 -3.224
40 HB3 ASP 5 1HB ASP 5 -11.227 4.415 -2.557
41 H CYS 6 H CYS 6 -8.671 3.392 -1.622
42 HA CYS 6 HA CYS 6 -6.327 4.041 -3.012
43 HB2 CYS 6 2HB CYS 6 -7.743 1.387 -3.168
44 HB3 CYS 6 1HB CYS 6 -6.031 1.701 -3.411
45 HG CYS 6 HG CYS 6 -6.535 0.338 -0.958
46 H THR 7 H THR 7 -5.880 4.374 -5.055
47 HA THR 7 HA THR 7 -8.106 4.413 -6.954
48 HB THR 7 HB THR 7 -5.440 5.799 -7.221
49 HG1 THR 7 HG1 THR 7 -7.844 6.751 -5.995
50 HG21 THR 7 3HG2 THR 7 -6.696 7.324 -8.679
51 HG22 THR 7 1HG2 THR 7 -8.155 6.365 -8.420
52 HG23 THR 7 2HG2 THR 7 -6.776 5.664 -9.265
53 H GLU 8 H GLU 8 -5.328 2.642 -6.238
54 HA GLU 8 HA GLU 8 -5.334 1.375 -8.838
55 HB2 GLU 8 2HB GLU 8 -3.368 3.338 -8.057
56 HB3 GLU 8 1HB GLU 8 -2.603 1.786 -8.338
57 HG2 GLU 8 2HG GLU 8 -4.470 3.097 -10.300
58 HG3 GLU 8 1HG GLU 8 -2.723 3.335 -10.311
59 H SER 9 H SER 9 -3.909 -0.507 -8.889
60 HA SER 9 HA SER 9 -4.116 -1.942 -6.380
61 HB2 SER 9 2HB SER 9 -2.980 -2.955 -8.995
62 HB3 SER 9 1HB SER 9 -3.636 -3.907 -7.665
63 HG SER 9 HG SER 9 -4.923 -2.619 -9.721
64 H GLY 10 H GLY 10 -2.469 -2.149 -4.990
65 HA2 GLY 10 2HA GLY 10 -0.072 -2.690 -4.744
66 HA3 GLY 10 1HA GLY 10 0.243 -1.506 -5.999
67 H GLN 11 H GLN 11 -2.122 -0.096 -4.418
68 HA GLN 11 HA GLN 11 -0.301 1.485 -2.776
69 HB2 GLN 11 2HB GLN 11 -3.048 1.832 -3.856
70 HB3 GLN 11 1HB GLN 11 -2.661 2.674 -2.359
71 HG2 GLN 11 2HG GLN 11 -1.760 4.253 -3.572
72 HG3 GLN 11 1HG GLN 11 -0.489 3.132 -4.030
73 HE21 GLN 11 1HE2 GLN 11 -3.375 4.748 -4.965
74 HE22 GLN 11 2HE2 GLN 11 -3.319 4.330 -6.635
75 H ASN 12 H ASN 12 -1.157 2.190 -0.567
76 HA ASN 12 HA ASN 12 -2.766 0.140 0.717
77 HB2 ASN 12 2HB ASN 12 -1.099 0.139 2.662
78 HB3 ASN 12 1HB ASN 12 -0.758 -0.840 1.250
79 HD21 ASN 12 1HD2 ASN 12 1.400 -0.871 2.002
80 HD22 ASN 12 2HD2 ASN 12 2.462 0.460 1.704
81 H LEU 13 H LEU 13 -0.873 3.036 1.487
82 HA LEU 13 HA LEU 13 -2.293 3.804 3.778
83 HB2 LEU 13 2HB LEU 13 -0.613 5.415 1.860
84 HB3 LEU 13 1HB LEU 13 -1.217 6.042 3.382
85 HG LEU 13 HG LEU 13 0.570 3.617 3.190
86 HD11 LEU 13 1HD1 LEU 13 1.739 5.567 2.298
87 HD12 LEU 13 2HD1 LEU 13 2.398 5.093 3.864
88 HD13 LEU 13 3HD1 LEU 13 1.324 6.489 3.745
89 HD21 LEU 13 3HD2 LEU 13 -0.835 3.861 5.222
90 HD22 LEU 13 1HD2 LEU 13 -0.081 5.424 5.516
91 HD23 LEU 13 2HD2 LEU 13 0.894 3.956 5.552
92 H CYS 14 H CYS 14 -4.371 3.277 2.405
93 HA CYS 14 HA CYS 14 -5.795 5.776 2.147
94 HB2 CYS 14 2HB CYS 14 -6.724 4.680 -0.140
95 HB3 CYS 14 1HB CYS 14 -5.407 5.837 -0.109
96 HG CYS 14 HG CYS 14 -4.996 2.442 -0.188
97 H LEU 15 H LEU 15 -8.198 5.343 2.050
98 HA LEU 15 HA LEU 15 -8.842 2.960 3.528
99 HB2 LEU 15 2HB LEU 15 -11.283 3.782 2.837
100 HB3 LEU 15 1HB LEU 15 -10.402 4.445 4.189
101 HG LEU 15 HG LEU 15 -9.995 5.837 1.618
102 HD11 LEU 15 1HD1 LEU 15 -12.615 5.972 3.111
103 HD12 LEU 15 2HD1 LEU 15 -12.386 5.294 1.500
104 HD13 LEU 15 3HD1 LEU 15 -12.126 7.017 1.777
105 HD21 LEU 15 3HD2 LEU 15 -9.016 6.598 3.730
106 HD22 LEU 15 1HD2 LEU 15 -10.631 6.740 4.424
107 HD23 LEU 15 2HD2 LEU 15 -10.153 7.779 3.080
108 H CYS 16 H CYS 16 -8.174 1.344 2.256
109 HA CYS 16 HA CYS 16 -8.868 0.806 -0.375
110 HB2 CYS 16 2HB CYS 16 -7.169 -0.458 0.780
111 HB3 CYS 16 1HB CYS 16 -8.332 -1.025 1.966
112 HG CYS 16 HG CYS 16 -9.739 -2.207 -0.487
113 H GLU 17 H GLU 17 -10.237 -1.039 2.297
114 HA GLU 17 HA GLU 17 -12.767 -1.186 0.877
115 HB2 GLU 17 2HB GLU 17 -11.664 -3.181 1.983
116 HB3 GLU 17 1HB GLU 17 -12.026 -2.437 3.532
117 HG2 GLU 17 2HG GLU 17 -14.365 -2.644 3.175
118 HG3 GLU 17 1HG GLU 17 -14.129 -3.104 1.489
119 H GLY 18 H GLY 18 -14.782 -0.787 2.164
120 HA2 GLY 18 2HA GLY 18 -15.563 1.607 2.537
121 HA3 GLY 18 1HA GLY 18 -15.996 0.459 3.786
122 H SER 19 H SER 19 -14.396 0.300 5.636
123 HA SER 19 HA SER 19 -13.315 2.988 6.173
124 HB2 SER 19 2HB SER 19 -13.680 2.340 8.617
125 HB3 SER 19 1HB SER 19 -15.121 2.681 7.662
126 HG SER 19 HG SER 19 -14.668 0.528 9.044
127 H ASN 20 H ASN 20 -12.287 0.122 5.261
128 HA ASN 20 HA ASN 20 -10.204 -0.349 7.213
129 HB2 ASN 20 2HB ASN 20 -10.710 -1.568 4.501
130 HB3 ASN 20 1HB ASN 20 -9.364 -2.013 5.533
131 HD21 ASN 20 1HD2 ASN 20 -12.553 -1.254 6.755
132 HD22 ASN 20 2HD2 ASN 20 -12.940 -2.853 7.275
133 H VAL 21 H VAL 21 -8.946 1.449 7.280
134 HA VAL 21 HA VAL 21 -7.768 2.475 4.830
135 HB VAL 21 HB VAL 21 -7.246 3.362 7.676
136 HG11 VAL 21 1HG1 VAL 21 -6.610 4.651 5.027
137 HG12 VAL 21 2HG1 VAL 21 -5.454 3.982 6.180
138 HG13 VAL 21 3HG1 VAL 21 -6.397 5.413 6.604
139 HG21 VAL 21 3HG2 VAL 21 -9.149 4.476 5.619
140 HG22 VAL 21 1HG2 VAL 21 -8.755 5.239 7.159
141 HG23 VAL 21 2HG2 VAL 21 -9.583 3.683 7.132
142 H CYS 22 H CYS 22 -6.337 1.073 4.055
143 HA CYS 22 HA CYS 22 -4.753 -0.624 5.695
144 HB2 CYS 22 2HB CYS 22 -5.485 -0.478 2.964
145 HB3 CYS 22 1HB CYS 22 -3.730 -0.459 3.023
146 HG CYS 22 HG CYS 22 -5.866 -2.903 3.978
147 H GLY 23 H GLY 23 -2.377 -0.758 5.538
148 HA2 GLY 23 2HA GLY 23 -1.045 1.809 5.152
149 HA3 GLY 23 1HA GLY 23 -1.003 1.111 6.765
150 H GLN 24 H GLN 24 1.111 0.537 6.969
151 HA GLN 24 HA GLN 24 2.499 -0.535 4.650
152 HB2 GLN 24 2HB GLN 24 3.556 1.215 6.035
153 HB3 GLN 24 1HB GLN 24 3.535 0.124 7.412
154 HG2 GLN 24 2HG GLN 24 5.072 -1.366 6.326
155 HG3 GLN 24 1HG GLN 24 4.998 -0.419 4.840
156 HE21 GLN 24 1HE2 GLN 24 6.064 1.543 4.729
157 HE22 GLN 24 2HE2 GLN 24 7.255 2.024 5.892
158 H GLY 25 H GLY 25 3.243 -2.558 4.447
159 HA2 GLY 25 2HA GLY 25 3.625 -4.794 5.154
160 HA3 GLY 25 1HA GLY 25 2.618 -4.494 6.570
161 H ASN 26 H ASN 26 0.934 -3.038 4.313
162 HA ASN 26 HA ASN 26 -0.457 -5.467 3.397
163 HB2 ASN 26 2HB ASN 26 -1.690 -2.813 4.167
164 HB3 ASN 26 1HB ASN 26 -2.566 -4.205 3.541
165 HD21 ASN 26 1HD2 ASN 26 -0.894 -2.854 6.259
166 HD22 ASN 26 2HD2 ASN 26 -1.439 -4.002 7.434
167 H LYS 27 H LYS 27 -1.536 -5.285 1.370
168 HA LYS 27 HA LYS 27 -0.851 -2.964 -0.270
169 HB2 LYS 27 2HB LYS 27 0.856 -4.577 -0.826
170 HB3 LYS 27 1HB LYS 27 -0.339 -5.853 -1.005
171 HG2 LYS 27 2HG LYS 27 -0.627 -5.355 -3.137
172 HG3 LYS 27 1HG LYS 27 -0.989 -3.675 -2.744
173 HD2 LYS 27 2HD LYS 27 0.887 -3.645 -4.201
174 HD3 LYS 27 1HD LYS 27 1.490 -3.283 -2.585
175 HE2 LYS 27 2HE LYS 27 3.012 -4.801 -3.594
176 HE3 LYS 27 1HE LYS 27 2.113 -5.692 -2.371
177 HZ1 LYS 27 3HZ LYS 27 2.420 -6.865 -4.528
178 HZ2 LYS 27 1HZ LYS 27 1.408 -5.717 -5.254
179 HZ3 LYS 27 2HZ LYS 27 0.805 -6.732 -4.035
180 H CYS 28 H CYS 28 -2.667 -2.194 -1.139
181 HA CYS 28 HA CYS 28 -5.021 -3.895 -1.283
182 HB2 CYS 28 2HB CYS 28 -5.389 -1.694 -0.368
183 HB3 CYS 28 1HB CYS 28 -4.613 -0.936 -1.753
184 HG CYS 28 HG CYS 28 -7.640 -2.516 -1.729
185 H ILE 29 H ILE 29 -5.782 -4.742 -3.116
186 HA ILE 29 HA ILE 29 -4.624 -3.819 -5.639
187 HB ILE 29 HB ILE 29 -5.195 -6.252 -6.397
188 HG12 ILE 29 2HG1 ILE 29 -4.792 -6.577 -3.420
189 HG13 ILE 29 1HG1 ILE 29 -6.290 -6.888 -4.291
190 HG21 ILE 29 1HG2 ILE 29 -2.915 -6.935 -5.865
191 HG22 ILE 29 2HG2 ILE 29 -2.801 -5.656 -4.656
192 HG23 ILE 29 3HG2 ILE 29 -2.958 -5.248 -6.364
193 HD11 ILE 29 3HD1 ILE 29 -3.703 -8.386 -4.649
194 HD12 ILE 29 1HD1 ILE 29 -5.207 -8.703 -5.511
195 HD13 ILE 29 2HD1 ILE 29 -5.120 -8.958 -3.769
196 H LEU 30 H LEU 30 -5.937 -3.528 -7.297
197 HA LEU 30 HA LEU 30 -8.799 -3.427 -6.709
198 HB2 LEU 30 2HB LEU 30 -6.988 -1.394 -7.263
199 HB3 LEU 30 1HB LEU 30 -7.782 -1.653 -8.802
200 HG LEU 30 HG LEU 30 -9.259 -1.094 -6.237
201 HD11 LEU 30 1HD1 LEU 30 -9.527 1.183 -7.092
202 HD12 LEU 30 2HD1 LEU 30 -8.465 0.796 -8.445
203 HD13 LEU 30 3HD1 LEU 30 -7.833 0.795 -6.799
204 HD21 LEU 30 3HD2 LEU 30 -11.115 -0.571 -7.743
205 HD22 LEU 30 1HD2 LEU 30 -10.570 -2.234 -7.965
206 HD23 LEU 30 2HD2 LEU 30 -10.112 -0.993 -9.130
207 H GLY 31 H GLY 31 -9.622 -5.206 -7.772
208 HA2 GLY 31 2HA GLY 31 -9.162 -5.257 -10.677
209 HA3 GLY 31 1HA GLY 31 -9.266 -6.741 -9.738
210 H ARG 32 H ARG 32 -11.142 -7.707 -9.906
211 HA ARG 32 HA ARG 32 -13.627 -6.232 -9.721
212 HB2 ARG 32 2HB ARG 32 -12.800 -7.617 -12.262
213 HB3 ARG 32 1HB ARG 32 -14.491 -7.403 -11.839
214 HG2 ARG 32 2HG ARG 32 -14.169 -4.981 -11.760
215 HG3 ARG 32 1HG ARG 32 -12.474 -5.197 -12.200
216 HD2 ARG 32 2HD ARG 32 -14.843 -6.033 -13.866
217 HD3 ARG 32 1HD ARG 32 -13.876 -4.581 -14.122
218 HE ARG 32 HE ARG 32 -12.112 -6.714 -14.134
219 HH11 ARG 32 1HH1 ARG 32 -14.824 -5.567 -16.022
220 HH12 ARG 32 2HH1 ARG 32 -14.305 -6.352 -17.486
221 HH21 ARG 32 1HH2 ARG 32 -11.401 -7.723 -16.052
222 HH22 ARG 32 2HH2 ARG 32 -12.337 -7.549 -17.510
223 H GLY 33 H GLY 33 -15.401 -8.178 -10.526
224 HA2 GLY 33 2HA GLY 33 -16.426 -10.077 -9.734
225 HA3 GLY 33 1HA GLY 33 -14.818 -10.743 -9.465
226 H ASP 34 H ASP 34 -14.303 -11.156 -7.420
227 HA ASP 34 HA ASP 34 -15.571 -9.508 -5.327
228 HB2 ASP 34 2HB ASP 34 -14.590 -12.361 -5.253
229 HB3 ASP 34 1HB ASP 34 -14.928 -11.439 -3.790
230 H SER 35 H SER 35 -12.939 -9.676 -7.087
231 HA SER 35 HA SER 35 -11.068 -9.031 -4.908
232 HB2 SER 35 2HB SER 35 -10.489 -10.906 -6.538
233 HB3 SER 35 1HB SER 35 -10.382 -9.673 -7.789
234 HG SER 35 HG SER 35 -8.661 -8.758 -6.752
235 H LYS 36 H LYS 36 -13.104 -7.238 -5.875
236 HA LYS 36 HA LYS 36 -12.253 -5.440 -7.851
237 HB2 LYS 36 2HB LYS 36 -13.834 -4.629 -5.425
238 HB3 LYS 36 1HB LYS 36 -13.924 -3.972 -7.048
239 HG2 LYS 36 2HG LYS 36 -15.144 -5.827 -7.837
240 HG3 LYS 36 1HG LYS 36 -14.777 -6.778 -6.394
241 HD2 LYS 36 2HD LYS 36 -16.066 -5.258 -5.023
242 HD3 LYS 36 1HD LYS 36 -16.369 -4.234 -6.419
243 HE2 LYS 36 2HE LYS 36 -17.619 -6.062 -7.476
244 HE3 LYS 36 1HE LYS 36 -17.327 -7.068 -6.056
245 HZ1 LYS 36 3HZ LYS 36 -18.522 -5.434 -4.715
246 HZ2 LYS 36 1HZ LYS 36 -19.507 -6.067 -5.945
247 HZ3 LYS 36 2HZ LYS 36 -18.841 -4.516 -6.105
248 H ASN 37 H ASN 37 -11.930 -5.411 -4.365
249 HA ASN 37 HA ASN 37 -9.674 -3.639 -4.397
250 HB2 ASN 37 2HB ASN 37 -11.468 -2.020 -4.562
251 HB3 ASN 37 1HB ASN 37 -12.372 -2.823 -3.284
252 HD21 ASN 37 1HD2 ASN 37 -9.749 -0.717 -4.046
253 HD22 ASN 37 2HD2 ASN 37 -9.432 -0.211 -2.429
254 H GLN 38 H GLN 38 -8.463 -5.041 -3.176
255 HA GLN 38 HA GLN 38 -9.616 -5.815 -0.583
256 HB2 GLN 38 2HB GLN 38 -9.913 -7.665 -2.215
257 HB3 GLN 38 1HB GLN 38 -8.169 -7.738 -2.406
258 HG2 GLN 38 2HG GLN 38 -9.025 -9.473 -0.904
259 HG3 GLN 38 1HG GLN 38 -7.899 -8.383 -0.097
260 HE21 GLN 38 1HE2 GLN 38 -11.208 -7.498 -0.818
261 HE22 GLN 38 2HE2 GLN 38 -11.753 -7.475 0.822
262 H CYS 39 H CYS 39 -8.231 -6.004 1.110
263 HA CYS 39 HA CYS 39 -5.560 -4.945 0.751
264 HB2 CYS 39 2HB CYS 39 -7.183 -5.604 3.200
265 HB3 CYS 39 1HB CYS 39 -5.538 -4.998 3.261
266 HG CYS 39 HG CYS 39 -7.572 -3.087 1.432
267 H VAL 40 H VAL 40 -4.188 -6.488 0.022
268 HA VAL 40 HA VAL 40 -4.152 -9.091 1.359
269 HB VAL 40 HB VAL 40 -4.000 -8.687 -1.193
270 HG11 VAL 40 1HG1 VAL 40 -1.138 -8.151 -0.433
271 HG12 VAL 40 2HG1 VAL 40 -2.260 -7.015 -1.183
272 HG13 VAL 40 3HG1 VAL 40 -1.726 -8.443 -2.070
273 HG21 VAL 40 3HG2 VAL 40 -2.579 -10.665 -1.486
274 HG22 VAL 40 1HG2 VAL 40 -3.722 -10.872 -0.159
275 HG23 VAL 40 2HG2 VAL 40 -2.030 -10.514 0.183
276 H THR 41 H THR 41 -1.900 -9.907 1.978
277 HA THR 41 HA THR 41 -0.582 -7.776 3.475
278 HB THR 41 HB THR 41 0.593 -9.753 4.588
279 HG1 THR 41 HG1 THR 41 -0.681 -11.744 4.350
280 HG21 THR 41 3HG2 THR 41 -2.409 -9.495 4.814
281 HG22 THR 41 1HG2 THR 41 -1.212 -8.522 5.666
282 HG23 THR 41 2HG2 THR 41 -1.355 -10.247 6.011
283 H GLY 42 H GLY 42 1.156 -6.860 2.667
284 HA2 GLY 42 2HA GLY 42 3.382 -8.294 1.680
285 HA3 GLY 42 1HA GLY 42 2.463 -7.629 0.337
286 H GLU 43 H GLU 43 3.460 -5.859 -0.389
287 HA GLU 43 HA GLU 43 3.998 -3.733 1.531
288 HB2 GLU 43 2HB GLU 43 6.141 -3.314 -0.037
289 HB3 GLU 43 1HB GLU 43 6.202 -4.217 1.465
290 HG2 GLU 43 2HG GLU 43 7.427 -5.420 -0.172
291 HG3 GLU 43 1HG GLU 43 5.943 -6.310 0.150
292 H GLY 44 H GLY 44 2.807 -2.106 0.911
293 HA2 GLY 44 2HA GLY 44 2.114 -1.868 -1.920
294 HA3 GLY 44 1HA GLY 44 1.250 -1.131 -0.578
295 H THR 45 H THR 45 1.266 0.885 -1.522
296 HA THR 45 HA THR 45 3.741 2.384 -1.306
297 HB THR 45 HB THR 45 2.499 3.175 -3.764
298 HG1 THR 45 HG1 THR 45 2.189 0.634 -3.460
299 HG21 THR 45 3HG2 THR 45 5.194 1.943 -3.175
300 HG22 THR 45 1HG2 THR 45 4.807 3.665 -3.155
301 HG23 THR 45 2HG2 THR 45 4.755 2.767 -4.671
302 HA PRO 46 HA PRO 46 0.944 5.665 -0.003
303 HB2 PRO 46 2HB PRO 46 2.892 7.369 -1.487
304 HB3 PRO 46 1HB PRO 46 2.267 7.549 0.158
305 HG2 PRO 46 2HG PRO 46 4.735 6.654 -0.246
306 HG3 PRO 46 1HG PRO 46 3.715 5.949 1.023
307 HD2 PRO 46 2HD PRO 46 4.413 4.861 -1.670
308 HD3 PRO 46 1HD PRO 46 4.225 4.008 -0.124
309 H LYS 47 H LYS 47 -0.578 7.083 -1.041
310 HA LYS 47 HA LYS 47 -1.242 5.919 -3.604
311 HB2 LYS 47 2HB LYS 47 -2.796 6.004 -1.610
312 HB3 LYS 47 1HB LYS 47 -2.949 7.726 -1.901
313 HG2 LYS 47 2HG LYS 47 -3.590 6.961 -4.311
314 HG3 LYS 47 1HG LYS 47 -3.942 5.438 -3.503
315 HD2 LYS 47 2HD LYS 47 -5.981 6.402 -3.240
316 HD3 LYS 47 1HD LYS 47 -5.194 7.102 -1.826
317 HE2 LYS 47 2HE LYS 47 -5.475 8.408 -4.532
318 HE3 LYS 47 1HE LYS 47 -6.423 8.791 -3.097
319 HZ1 LYS 47 3HZ LYS 47 -4.327 9.458 -1.996
320 HZ2 LYS 47 1HZ LYS 47 -4.695 10.404 -3.355
321 HZ3 LYS 47 2HZ LYS 47 -3.504 9.208 -3.453
322 HA PRO 48 HA PRO 48 -0.428 9.771 -5.836
323 HB2 PRO 48 2HB PRO 48 -0.923 8.040 -8.137
324 HB3 PRO 48 1HB PRO 48 0.532 8.953 -7.735
325 HG2 PRO 48 2HG PRO 48 0.440 6.253 -7.641
326 HG3 PRO 48 1HG PRO 48 1.456 7.213 -6.547
327 HD2 PRO 48 2HD PRO 48 -1.209 5.942 -6.036
328 HD3 PRO 48 1HD PRO 48 0.226 6.009 -4.990
329 H GLN 49 H GLN 49 -1.854 10.167 -8.143
330 HA GLN 49 HA GLN 49 -4.616 9.672 -7.780
331 HB2 GLN 49 2HB GLN 49 -5.021 12.189 -7.110
332 HB3 GLN 49 1HB GLN 49 -4.736 10.956 -5.887
333 HG2 GLN 49 2HG GLN 49 -2.230 11.657 -6.215
334 HG3 GLN 49 1HG GLN 49 -2.949 13.141 -6.830
335 HE21 GLN 49 1HE2 GLN 49 -2.178 14.362 -5.087
336 HE22 GLN 49 2HE2 GLN 49 -2.846 14.216 -3.497
337 H SER 50 H SER 50 -2.478 12.368 -8.741
338 HA SER 50 HA SER 50 -3.353 11.978 -11.476
339 HB2 SER 50 2HB SER 50 -3.534 14.678 -10.132
340 HB3 SER 50 1HB SER 50 -3.850 14.350 -11.836
341 HG SER 50 HG SER 50 -5.327 12.671 -10.423
342 H HIS 51 H HIS 51 -1.444 14.234 -9.477
343 HA HIS 51 HA HIS 51 0.857 13.620 -11.213
344 HB2 HIS 51 2HB HIS 51 0.517 16.254 -9.793
345 HB3 HIS 51 1HB HIS 51 1.656 15.850 -11.066
346 HD1 HIS 51 HD1 HIS 51 -1.578 17.379 -10.495
347 HD2 HIS 51 HD2 HIS 51 0.360 15.550 -13.685
348 HE1 HIS 51 HE1 HIS 51 -2.857 18.069 -12.549
349 HE2 HIS 51 HE2 HIS 51 -1.546 17.118 -14.484
Start of MODEL 20
1 H1 VAL 1 1H VAL 1 -5.564 13.825 9.219
2 H2 VAL 1 2H VAL 1 -5.404 15.258 8.328
3 H3 VAL 1 3H VAL 1 -4.067 14.617 9.148
4 HA VAL 1 HA VAL 1 -3.963 14.197 6.759
5 HB VAL 1 HB VAL 1 -4.329 11.752 8.464
6 HG11 VAL 1 1HG1 VAL 1 -2.910 12.046 5.827
7 HG12 VAL 1 2HG1 VAL 1 -4.406 11.159 6.111
8 HG13 VAL 1 3HG1 VAL 1 -2.901 10.605 6.842
9 HG21 VAL 1 3HG2 VAL 1 -2.669 13.308 9.334
10 HG22 VAL 1 1HG2 VAL 1 -1.851 13.313 7.774
11 HG23 VAL 1 2HG2 VAL 1 -1.907 11.834 8.735
12 H VAL 2 H VAL 2 -5.064 13.810 4.912
13 HA VAL 2 HA VAL 2 -7.711 12.529 5.158
14 HB VAL 2 HB VAL 2 -7.044 14.840 3.322
15 HG11 VAL 2 1HG1 VAL 2 -9.658 13.434 3.861
16 HG12 VAL 2 2HG1 VAL 2 -8.699 13.320 2.384
17 HG13 VAL 2 3HG1 VAL 2 -9.444 14.853 2.838
18 HG21 VAL 2 3HG2 VAL 2 -8.565 16.158 4.724
19 HG22 VAL 2 1HG2 VAL 2 -7.164 15.588 5.633
20 HG23 VAL 2 2HG2 VAL 2 -8.725 14.791 5.826
21 H TYR 3 H TYR 3 -7.449 10.589 4.227
22 HA TYR 3 HA TYR 3 -6.075 10.471 1.635
23 HB2 TYR 3 2HB TYR 3 -6.795 8.323 3.627
24 HB3 TYR 3 1HB TYR 3 -6.263 7.951 1.990
25 HD1 TYR 3 HD2 TYR 3 -4.059 9.489 1.367
26 HD2 TYR 3 HD1 TYR 3 -5.152 8.065 5.221
27 HE1 TYR 3 HE2 TYR 3 -1.719 9.674 2.089
28 HE2 TYR 3 HE1 TYR 3 -2.811 8.242 5.955
29 HH TYR 3 HH TYR 3 -0.574 8.319 5.011
30 H THR 4 H THR 4 -7.131 8.659 0.205
31 HA THR 4 HA THR 4 -10.015 9.127 0.093
32 HB THR 4 HB THR 4 -9.722 9.236 -2.440
33 HG1 THR 4 HG1 THR 4 -7.561 10.077 -3.012
34 HG21 THR 4 3HG2 THR 4 -9.139 11.632 -2.420
35 HG22 THR 4 1HG2 THR 4 -8.574 11.472 -0.757
36 HG23 THR 4 2HG2 THR 4 -10.277 11.219 -1.138
37 H ASP 5 H ASP 5 -10.450 7.632 -2.268
38 HA ASP 5 HA ASP 5 -10.070 4.969 -1.162
39 HB2 ASP 5 2HB ASP 5 -11.558 5.800 -3.676
40 HB3 ASP 5 1HB ASP 5 -11.646 4.232 -2.883
41 H CYS 6 H CYS 6 -9.333 3.198 -2.573
42 HA CYS 6 HA CYS 6 -6.798 3.857 -3.631
43 HB2 CYS 6 2HB CYS 6 -8.118 1.234 -4.194
44 HB3 CYS 6 1HB CYS 6 -6.435 1.587 -3.825
45 HG CYS 6 HG CYS 6 -8.580 0.357 -1.848
46 H THR 7 H THR 7 -6.087 4.133 -5.623
47 HA THR 7 HA THR 7 -8.080 4.238 -7.769
48 HB THR 7 HB THR 7 -5.387 5.595 -7.679
49 HG1 THR 7 HG1 THR 7 -7.632 7.160 -7.252
50 HG21 THR 7 3HG2 THR 7 -6.394 5.428 -9.900
51 HG22 THR 7 1HG2 THR 7 -6.383 7.100 -9.341
52 HG23 THR 7 2HG2 THR 7 -7.877 6.164 -9.292
53 H GLU 8 H GLU 8 -5.179 2.685 -6.738
54 HA GLU 8 HA GLU 8 -5.015 1.252 -9.280
55 HB2 GLU 8 2HB GLU 8 -3.108 3.185 -8.332
56 HB3 GLU 8 1HB GLU 8 -2.362 1.597 -8.382
57 HG2 GLU 8 2HG GLU 8 -3.794 2.887 -10.692
58 HG3 GLU 8 1HG GLU 8 -2.049 2.913 -10.443
59 H SER 9 H SER 9 -3.844 -0.736 -9.132
60 HA SER 9 HA SER 9 -4.251 -2.028 -6.565
61 HB2 SER 9 2HB SER 9 -3.379 -3.190 -9.228
62 HB3 SER 9 1HB SER 9 -3.873 -4.109 -7.805
63 HG SER 9 HG SER 9 -5.531 -2.232 -9.162
64 H GLY 10 H GLY 10 -2.665 -2.293 -5.138
65 HA2 GLY 10 2HA GLY 10 -0.325 -3.015 -4.783
66 HA3 GLY 10 1HA GLY 10 0.113 -1.947 -6.113
67 H GLN 11 H GLN 11 -2.222 -0.302 -4.678
68 HA GLN 11 HA GLN 11 -0.382 1.307 -3.083
69 HB2 GLN 11 2HB GLN 11 -3.011 1.699 -4.346
70 HB3 GLN 11 1HB GLN 11 -2.875 2.430 -2.750
71 HG2 GLN 11 2HG GLN 11 -1.886 4.156 -3.708
72 HG3 GLN 11 1HG GLN 11 -0.516 3.109 -4.066
73 HE21 GLN 11 1HE2 GLN 11 -3.343 4.657 -5.318
74 HE22 GLN 11 2HE2 GLN 11 -3.010 4.376 -6.993
75 H ASN 12 H ASN 12 -1.491 2.177 -0.941
76 HA ASN 12 HA ASN 12 -3.105 0.145 0.341
77 HB2 ASN 12 2HB ASN 12 -1.548 0.192 2.361
78 HB3 ASN 12 1HB ASN 12 -1.122 -0.830 1.002
79 HD21 ASN 12 1HD2 ASN 12 1.004 -0.882 1.670
80 HD22 ASN 12 2HD2 ASN 12 2.072 0.465 1.464
81 H LEU 13 H LEU 13 -1.254 3.071 1.093
82 HA LEU 13 HA LEU 13 -2.846 4.007 3.183
83 HB2 LEU 13 2HB LEU 13 -1.103 5.508 1.241
84 HB3 LEU 13 1HB LEU 13 -1.847 6.249 2.644
85 HG LEU 13 HG LEU 13 0.098 3.944 2.769
86 HD11 LEU 13 1HD1 LEU 13 1.690 5.629 3.615
87 HD12 LEU 13 2HD1 LEU 13 0.519 6.895 3.238
88 HD13 LEU 13 3HD1 LEU 13 1.218 5.925 1.942
89 HD21 LEU 13 3HD2 LEU 13 0.187 4.496 5.155
90 HD22 LEU 13 1HD2 LEU 13 -1.437 4.024 4.657
91 HD23 LEU 13 2HD2 LEU 13 -1.056 5.726 4.913
92 H CYS 14 H CYS 14 -4.839 3.334 2.060
93 HA CYS 14 HA CYS 14 -6.305 5.699 1.237
94 HB2 CYS 14 2HB CYS 14 -7.310 4.228 -0.689
95 HB3 CYS 14 1HB CYS 14 -5.820 5.111 -0.951
96 HG CYS 14 HG CYS 14 -5.148 2.120 0.248
97 H LEU 15 H LEU 15 -8.709 5.201 1.185
98 HA LEU 15 HA LEU 15 -9.392 3.381 3.321
99 HB2 LEU 15 2HB LEU 15 -11.572 4.270 1.557
100 HB3 LEU 15 1HB LEU 15 -11.467 4.295 3.304
101 HG LEU 15 HG LEU 15 -10.155 6.331 1.489
102 HD11 LEU 15 1HD1 LEU 15 -12.703 6.507 3.084
103 HD12 LEU 15 2HD1 LEU 15 -12.571 6.484 1.326
104 HD13 LEU 15 3HD1 LEU 15 -11.926 7.846 2.242
105 HD21 LEU 15 3HD2 LEU 15 -10.564 6.290 4.473
106 HD22 LEU 15 1HD2 LEU 15 -9.896 7.632 3.545
107 HD23 LEU 15 2HD2 LEU 15 -9.026 6.101 3.627
108 H CYS 16 H CYS 16 -8.687 1.444 2.555
109 HA CYS 16 HA CYS 16 -9.317 0.470 -0.026
110 HB2 CYS 16 2HB CYS 16 -8.087 -0.721 2.421
111 HB3 CYS 16 1HB CYS 16 -8.300 -1.635 0.939
112 HG CYS 16 HG CYS 16 -6.855 0.850 -0.241
113 H GLU 17 H GLU 17 -9.921 -1.193 3.005
114 HA GLU 17 HA GLU 17 -12.179 -2.567 1.812
115 HB2 GLU 17 2HB GLU 17 -10.372 -3.490 3.456
116 HB3 GLU 17 1HB GLU 17 -11.432 -2.772 4.651
117 HG2 GLU 17 2HG GLU 17 -13.294 -4.127 3.772
118 HG3 GLU 17 1HG GLU 17 -12.155 -4.918 2.681
119 H GLY 18 H GLY 18 -14.098 -1.784 1.960
120 HA2 GLY 18 2HA GLY 18 -15.827 -0.328 2.458
121 HA3 GLY 18 1HA GLY 18 -15.518 -0.865 4.103
122 H SER 19 H SER 19 -14.447 0.452 5.516
123 HA SER 19 HA SER 19 -13.748 3.140 4.541
124 HB2 SER 19 2HB SER 19 -14.211 3.753 6.985
125 HB3 SER 19 1HB SER 19 -15.604 3.418 5.958
126 HG SER 19 HG SER 19 -15.123 2.320 8.225
127 H ASN 20 H ASN 20 -12.347 0.356 5.484
128 HA ASN 20 HA ASN 20 -10.552 1.249 7.523
129 HB2 ASN 20 2HB ASN 20 -10.582 -1.207 5.766
130 HB3 ASN 20 1HB ASN 20 -9.314 -0.901 6.945
131 HD21 ASN 20 1HD2 ASN 20 -12.660 -0.024 7.469
132 HD22 ASN 20 2HD2 ASN 20 -12.965 -1.186 8.709
133 H VAL 21 H VAL 21 -8.796 2.394 7.298
134 HA VAL 21 HA VAL 21 -7.788 3.006 4.630
135 HB VAL 21 HB VAL 21 -6.741 4.051 7.270
136 HG11 VAL 21 1HG1 VAL 21 -6.003 5.956 5.921
137 HG12 VAL 21 2HG1 VAL 21 -6.634 5.171 4.473
138 HG13 VAL 21 3HG1 VAL 21 -5.297 4.439 5.359
139 HG21 VAL 21 3HG2 VAL 21 -8.213 6.017 6.907
140 HG22 VAL 21 1HG2 VAL 21 -9.091 4.531 7.267
141 HG23 VAL 21 2HG2 VAL 21 -9.011 5.126 5.612
142 H CYS 22 H CYS 22 -6.432 1.504 3.847
143 HA CYS 22 HA CYS 22 -4.905 -0.171 5.584
144 HB2 CYS 22 2HB CYS 22 -5.734 -0.294 2.871
145 HB3 CYS 22 1HB CYS 22 -3.979 -0.380 2.890
146 HG CYS 22 HG CYS 22 -5.853 -2.400 4.897
147 H GLY 23 H GLY 23 -2.529 -0.479 5.270
148 HA2 GLY 23 2HA GLY 23 -1.098 1.960 4.561
149 HA3 GLY 23 1HA GLY 23 -1.026 1.453 6.244
150 H GLN 24 H GLN 24 1.094 0.856 6.396
151 HA GLN 24 HA GLN 24 2.284 -0.625 4.200
152 HB2 GLN 24 2HB GLN 24 3.446 0.545 6.729
153 HB3 GLN 24 1HB GLN 24 4.387 -0.370 5.557
154 HG2 GLN 24 2HG GLN 24 3.942 1.261 3.850
155 HG3 GLN 24 1HG GLN 24 2.857 2.143 4.923
156 HE21 GLN 24 1HE2 GLN 24 5.235 3.064 3.548
157 HE22 GLN 24 2HE2 GLN 24 6.295 3.662 4.775
158 H GLY 25 H GLY 25 3.085 -2.672 4.329
159 HA2 GLY 25 2HA GLY 25 3.299 -4.806 5.352
160 HA3 GLY 25 1HA GLY 25 2.235 -4.264 6.649
161 H ASN 26 H ASN 26 0.709 -3.001 4.218
162 HA ASN 26 HA ASN 26 -0.608 -5.465 3.317
163 HB2 ASN 26 2HB ASN 26 -1.929 -2.842 4.042
164 HB3 ASN 26 1HB ASN 26 -2.752 -4.213 3.306
165 HD21 ASN 26 1HD2 ASN 26 -1.307 -2.943 6.190
166 HD22 ASN 26 2HD2 ASN 26 -1.930 -4.137 7.270
167 H LYS 27 H LYS 27 -1.514 -5.393 1.247
168 HA LYS 27 HA LYS 27 -0.805 -3.096 -0.431
169 HB2 LYS 27 2HB LYS 27 0.923 -4.774 -0.803
170 HB3 LYS 27 1HB LYS 27 -0.293 -6.015 -1.065
171 HG2 LYS 27 2HG LYS 27 -0.559 -5.460 -3.208
172 HG3 LYS 27 1HG LYS 27 -0.562 -3.729 -2.859
173 HD2 LYS 27 2HD LYS 27 1.334 -4.361 -4.278
174 HD3 LYS 27 1HD LYS 27 1.870 -3.736 -2.721
175 HE2 LYS 27 2HE LYS 27 3.224 -5.610 -3.139
176 HE3 LYS 27 1HE LYS 27 2.022 -6.155 -1.971
177 HZ1 LYS 27 3HZ LYS 27 0.768 -7.148 -3.796
178 HZ2 LYS 27 1HZ LYS 27 2.338 -7.782 -3.702
179 HZ3 LYS 27 2HZ LYS 27 1.954 -6.646 -4.899
180 H CYS 28 H CYS 28 -2.664 -2.336 -1.224
181 HA CYS 28 HA CYS 28 -4.992 -4.075 -1.274
182 HB2 CYS 28 2HB CYS 28 -5.007 -1.741 -0.291
183 HB3 CYS 28 1HB CYS 28 -4.873 -1.139 -1.940
184 HG CYS 28 HG CYS 28 -7.339 -1.533 -2.692
185 H ILE 29 H ILE 29 -5.900 -4.851 -3.061
186 HA ILE 29 HA ILE 29 -4.958 -3.828 -5.639
187 HB ILE 29 HB ILE 29 -5.130 -6.246 -6.451
188 HG12 ILE 29 2HG1 ILE 29 -4.823 -6.740 -3.485
189 HG13 ILE 29 1HG1 ILE 29 -6.259 -7.110 -4.433
190 HG21 ILE 29 1HG2 ILE 29 -3.027 -5.026 -6.251
191 HG22 ILE 29 2HG2 ILE 29 -2.823 -6.721 -5.807
192 HG23 ILE 29 3HG2 ILE 29 -2.913 -5.484 -4.551
193 HD11 ILE 29 3HD1 ILE 29 -4.946 -8.702 -5.763
194 HD12 ILE 29 1HD1 ILE 29 -4.972 -9.113 -4.049
195 HD13 ILE 29 2HD1 ILE 29 -3.540 -8.361 -4.754
196 H LEU 30 H LEU 30 -6.469 -3.387 -7.016
197 HA LEU 30 HA LEU 30 -9.238 -3.899 -6.450
198 HB2 LEU 30 2HB LEU 30 -7.899 -2.551 -8.805
199 HB3 LEU 30 1HB LEU 30 -9.625 -2.564 -8.490
200 HG LEU 30 HG LEU 30 -7.695 -1.417 -6.502
201 HD11 LEU 30 1HD1 LEU 30 -7.293 -0.283 -8.636
202 HD12 LEU 30 2HD1 LEU 30 -8.093 0.784 -7.484
203 HD13 LEU 30 3HD1 LEU 30 -9.019 0.045 -8.789
204 HD21 LEU 30 3HD2 LEU 30 -9.667 -0.131 -5.823
205 HD22 LEU 30 1HD2 LEU 30 -9.956 -1.868 -5.729
206 HD23 LEU 30 2HD2 LEU 30 -10.617 -0.935 -7.072
207 H GLY 31 H GLY 31 -9.593 -6.062 -6.696
208 HA2 GLY 31 2HA GLY 31 -8.616 -7.440 -9.066
209 HA3 GLY 31 1HA GLY 31 -9.422 -8.175 -7.688
210 H ARG 32 H ARG 32 -11.464 -8.757 -7.918
211 HA ARG 32 HA ARG 32 -13.304 -7.476 -9.684
212 HB2 ARG 32 2HB ARG 32 -13.578 -9.352 -11.256
213 HB3 ARG 32 1HB ARG 32 -11.964 -8.660 -11.360
214 HG2 ARG 32 2HG ARG 32 -11.316 -10.546 -9.704
215 HG3 ARG 32 1HG ARG 32 -12.822 -11.295 -10.240
216 HD2 ARG 32 2HD ARG 32 -11.084 -12.153 -11.616
217 HD3 ARG 32 1HD ARG 32 -12.012 -11.016 -12.593
218 HE ARG 32 HE ARG 32 -9.576 -10.060 -11.269
219 HH11 ARG 32 1HH1 ARG 32 -11.219 -11.000 -14.226
220 HH12 ARG 32 2HH1 ARG 32 -10.050 -10.232 -15.264
221 HH21 ARG 32 1HH2 ARG 32 -8.044 -9.070 -12.627
222 HH22 ARG 32 2HH2 ARG 32 -8.237 -9.136 -14.353
223 H GLY 33 H GLY 33 -15.430 -8.387 -9.511
224 HA2 GLY 33 2HA GLY 33 -17.013 -9.840 -8.531
225 HA3 GLY 33 1HA GLY 33 -15.749 -10.523 -7.536
226 H ASP 34 H ASP 34 -16.796 -10.259 -5.577
227 HA ASP 34 HA ASP 34 -17.243 -7.532 -4.648
228 HB2 ASP 34 2HB ASP 34 -17.817 -8.542 -2.510
229 HB3 ASP 34 1HB ASP 34 -18.657 -9.416 -3.785
230 H SER 35 H SER 35 -14.825 -9.547 -5.345
231 HA SER 35 HA SER 35 -12.895 -8.623 -3.381
232 HB2 SER 35 2HB SER 35 -12.876 -10.622 -5.640
233 HB3 SER 35 1HB SER 35 -11.406 -10.156 -4.811
234 HG SER 35 HG SER 35 -13.645 -11.555 -3.838
235 H LYS 36 H LYS 36 -14.139 -6.746 -5.250
236 HA LYS 36 HA LYS 36 -12.274 -6.272 -7.370
237 HB2 LYS 36 2HB LYS 36 -13.652 -4.202 -7.766
238 HB3 LYS 36 1HB LYS 36 -14.509 -5.726 -7.882
239 HG2 LYS 36 2HG LYS 36 -15.984 -4.346 -6.750
240 HG3 LYS 36 1HG LYS 36 -15.232 -5.274 -5.458
241 HD2 LYS 36 2HD LYS 36 -13.865 -3.448 -4.817
242 HD3 LYS 36 1HD LYS 36 -14.248 -2.558 -6.293
243 HE2 LYS 36 2HE LYS 36 -15.458 -1.639 -4.391
244 HE3 LYS 36 1HE LYS 36 -16.569 -2.336 -5.567
245 HZ1 LYS 36 3HZ LYS 36 -15.674 -3.629 -3.044
246 HZ2 LYS 36 1HZ LYS 36 -16.746 -4.309 -4.177
247 HZ3 LYS 36 2HZ LYS 36 -17.193 -2.919 -3.315
248 H ASN 37 H ASN 37 -12.330 -5.477 -4.129
249 HA ASN 37 HA ASN 37 -9.846 -4.056 -4.417
250 HB2 ASN 37 2HB ASN 37 -11.466 -2.187 -4.428
251 HB3 ASN 37 1HB ASN 37 -12.164 -2.783 -2.926
252 HD21 ASN 37 1HD2 ASN 37 -10.872 -2.756 -1.043
253 HD22 ASN 37 2HD2 ASN 37 -9.588 -1.613 -0.873
254 H GLN 38 H GLN 38 -8.621 -5.375 -3.154
255 HA GLN 38 HA GLN 38 -9.675 -6.029 -0.493
256 HB2 GLN 38 2HB GLN 38 -10.088 -7.957 -1.980
257 HB3 GLN 38 1HB GLN 38 -8.372 -8.027 -2.353
258 HG2 GLN 38 2HG GLN 38 -8.979 -9.712 -0.720
259 HG3 GLN 38 1HG GLN 38 -7.871 -8.532 -0.027
260 HE21 GLN 38 1HE2 GLN 38 -11.280 -7.906 -0.536
261 HE22 GLN 38 2HE2 GLN 38 -11.710 -7.856 1.138
262 H CYS 39 H CYS 39 -8.199 -6.100 1.135
263 HA CYS 39 HA CYS 39 -5.552 -5.079 0.553
264 HB2 CYS 39 2HB CYS 39 -6.987 -5.601 3.151
265 HB3 CYS 39 1HB CYS 39 -5.374 -4.920 3.030
266 HG CYS 39 HG CYS 39 -6.043 -2.484 2.325
267 H VAL 40 H VAL 40 -4.386 -6.788 -0.287
268 HA VAL 40 HA VAL 40 -4.200 -9.246 1.249
269 HB VAL 40 HB VAL 40 -4.235 -9.075 -1.313
270 HG11 VAL 40 1HG1 VAL 40 -1.344 -8.364 -0.864
271 HG12 VAL 40 2HG1 VAL 40 -2.579 -7.325 -1.577
272 HG13 VAL 40 3HG1 VAL 40 -2.072 -8.794 -2.412
273 HG21 VAL 40 3HG2 VAL 40 -2.702 -10.993 -1.555
274 HG22 VAL 40 1HG2 VAL 40 -3.780 -11.148 -0.168
275 HG23 VAL 40 2HG2 VAL 40 -2.096 -10.682 0.073
276 H THR 41 H THR 41 -1.958 -10.018 1.846
277 HA THR 41 HA THR 41 -0.707 -7.816 3.260
278 HB THR 41 HB THR 41 0.602 -9.713 4.358
279 HG1 THR 41 HG1 THR 41 -0.264 -11.786 4.071
280 HG21 THR 41 3HG2 THR 41 -1.272 -10.318 5.811
281 HG22 THR 41 1HG2 THR 41 -2.408 -9.698 4.612
282 HG23 THR 41 2HG2 THR 41 -1.299 -8.597 5.429
283 H GLY 42 H GLY 42 1.132 -6.939 2.801
284 HA2 GLY 42 2HA GLY 42 3.421 -8.072 1.784
285 HA3 GLY 42 1HA GLY 42 2.490 -7.564 0.380
286 H GLU 43 H GLU 43 3.794 -5.916 -0.269
287 HA GLU 43 HA GLU 43 3.893 -3.600 1.533
288 HB2 GLU 43 2HB GLU 43 6.050 -4.805 -0.162
289 HB3 GLU 43 1HB GLU 43 6.068 -3.081 0.183
290 HG2 GLU 43 2HG GLU 43 5.872 -5.131 2.358
291 HG3 GLU 43 1HG GLU 43 7.416 -4.589 1.704
292 H GLY 44 H GLY 44 2.685 -2.038 0.744
293 HA2 GLY 44 2HA GLY 44 2.156 -2.019 -2.141
294 HA3 GLY 44 1HA GLY 44 1.140 -1.290 -0.910
295 H THR 45 H THR 45 1.044 0.706 -1.781
296 HA THR 45 HA THR 45 3.437 2.353 -1.612
297 HB THR 45 HB THR 45 2.273 3.340 -3.896
298 HG1 THR 45 HG1 THR 45 1.763 0.627 -3.742
299 HG21 THR 45 3HG2 THR 45 4.683 3.112 -3.470
300 HG22 THR 45 1HG2 THR 45 4.251 2.492 -5.063
301 HG23 THR 45 2HG2 THR 45 4.561 1.373 -3.735
302 HA PRO 46 HA PRO 46 0.485 5.352 -0.019
303 HB2 PRO 46 2HB PRO 46 2.337 7.303 -1.292
304 HB3 PRO 46 1HB PRO 46 1.752 7.236 0.373
305 HG2 PRO 46 2HG PRO 46 4.251 6.540 -0.212
306 HG3 PRO 46 1HG PRO 46 3.315 5.642 0.997
307 HD2 PRO 46 2HD PRO 46 3.944 4.911 -1.837
308 HD3 PRO 46 1HD PRO 46 3.899 3.880 -0.391
309 H LYS 47 H LYS 47 -1.185 6.580 -0.949
310 HA LYS 47 HA LYS 47 -1.475 6.091 -3.796
311 HB2 LYS 47 2HB LYS 47 -3.253 5.689 -1.914
312 HB3 LYS 47 1HB LYS 47 -3.575 7.408 -2.113
313 HG2 LYS 47 2HG LYS 47 -3.681 6.747 -4.653
314 HG3 LYS 47 1HG LYS 47 -4.049 5.160 -3.983
315 HD2 LYS 47 2HD LYS 47 -6.168 5.907 -3.983
316 HD3 LYS 47 1HD LYS 47 -5.680 6.736 -2.504
317 HE2 LYS 47 2HE LYS 47 -5.551 7.928 -5.271
318 HE3 LYS 47 1HE LYS 47 -6.858 8.203 -4.122
319 HZ1 LYS 47 3HZ LYS 47 -4.016 9.023 -3.845
320 HZ2 LYS 47 1HZ LYS 47 -5.149 9.121 -2.588
321 HZ3 LYS 47 2HZ LYS 47 -5.374 10.025 -3.996
322 HA PRO 48 HA PRO 48 0.045 10.264 -4.536
323 HB2 PRO 48 2HB PRO 48 -0.791 9.570 -7.297
324 HB3 PRO 48 1HB PRO 48 0.773 10.138 -6.703
325 HG2 PRO 48 2HG PRO 48 0.430 7.598 -7.436
326 HG3 PRO 48 1HG PRO 48 1.443 8.023 -6.044
327 HD2 PRO 48 2HD PRO 48 -1.344 6.935 -6.098
328 HD3 PRO 48 1HD PRO 48 -0.001 6.542 -5.006
329 H GLN 49 H GLN 49 -0.823 12.229 -5.252
330 HA GLN 49 HA GLN 49 -3.745 12.232 -5.566
331 HB2 GLN 49 2HB GLN 49 -3.536 14.353 -3.998
332 HB3 GLN 49 1HB GLN 49 -3.726 12.735 -3.356
333 HG2 GLN 49 2HG GLN 49 -1.281 12.592 -3.066
334 HG3 GLN 49 1HG GLN 49 -1.153 14.263 -3.602
335 HE21 GLN 49 1HE2 GLN 49 -0.273 14.931 -1.632
336 HE22 GLN 49 2HE2 GLN 49 -1.237 15.063 -0.202
337 H SER 50 H SER 50 -0.701 13.988 -6.003
338 HA SER 50 HA SER 50 -2.154 15.689 -7.929
339 HB2 SER 50 2HB SER 50 -0.496 17.517 -7.305
340 HB3 SER 50 1HB SER 50 -1.734 17.134 -6.111
341 HG SER 50 HG SER 50 -0.120 15.754 -5.115
342 H HIS 51 H HIS 51 -1.283 16.043 -9.873
343 HA HIS 51 HA HIS 51 1.023 14.481 -10.670
344 HB2 HIS 51 2HB HIS 51 -0.611 16.468 -12.254
345 HB3 HIS 51 1HB HIS 51 0.565 15.344 -12.919
346 HD1 HIS 51 HD1 HIS 51 -2.810 15.672 -13.095
347 HD2 HIS 51 HD2 HIS 51 -0.431 12.539 -11.735
348 HE1 HIS 51 HE1 HIS 51 -4.238 13.607 -13.268
349 HE2 HIS 51 HE2 HIS 51 -2.706 11.704 -12.646