Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8996 | 1n89 RC | 4977 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 13.388 2.806 0.459
2 2H ALA 1 HT2 ALA 1 14.969 2.666 -0.194
3 3H ALA 1 HT3 ALA 1 13.631 2.943 -1.232
4 HA ALA 1 HA ALA 1 14.350 4.807 0.906
5 1HB ALA 1 HB1 ALA 1 16.157 4.184 -0.977
6 2HB ALA 1 HB2 ALA 1 15.979 5.803 -0.301
7 3HB ALA 1 HB3 ALA 1 15.229 5.406 -1.847
8 H CYS 2 HN CYS 2 11.794 3.892 -0.062
9 HA CYS 2 HA CYS 2 9.786 4.722 -0.736
10 1HB CYS 2 HB2 CYS 2 10.953 7.491 -0.728
11 2HB CYS 2 HB1 CYS 2 9.326 6.977 -0.300
12 H GLN 3 HN GLN 3 9.713 3.878 -2.794
13 HA GLN 3 HA GLN 3 11.018 5.189 -5.000
14 1HB GLN 3 HB2 GLN 3 9.441 2.726 -4.590
15 2HB GLN 3 HB1 GLN 3 9.298 3.456 -6.183
16 1HG GLN 3 HG2 GLN 3 12.010 3.068 -5.029
17 2HG GLN 3 HG1 GLN 3 11.142 1.668 -5.658
18 1HE2 GLN 3 HE21 GLN 3 12.963 4.439 -6.410
19 2HE2 GLN 3 HE22 GLN 3 12.884 4.315 -8.132
20 H ALA 4 HN ALA 4 7.698 4.868 -3.811
21 HA ALA 4 HA ALA 4 5.797 6.042 -4.252
22 1HB ALA 4 HB1 ALA 4 6.001 8.302 -4.298
23 2HB ALA 4 HB2 ALA 4 7.249 8.276 -5.544
24 3HB ALA 4 HB3 ALA 4 7.666 7.908 -3.870
25 H SER 5 HN SER 5 6.848 4.220 -6.241
26 HA SER 5 HA SER 5 5.290 5.158 -8.510
27 1HB SER 5 HB2 SER 5 8.236 4.783 -8.556
28 2HB SER 5 HB1 SER 5 7.335 4.154 -9.936
29 HG SER 5 HG SER 5 7.565 6.177 -10.552
30 H GLN 6 HN GLN 6 7.085 2.562 -6.944
31 HA GLN 6 HA GLN 6 6.213 0.477 -8.601
32 1HB GLN 6 HB2 GLN 6 7.438 0.666 -5.891
33 2HB GLN 6 HB1 GLN 6 6.728 -0.866 -6.380
34 1HG GLN 6 HG2 GLN 6 8.168 -0.626 -8.491
35 2HG GLN 6 HG1 GLN 6 9.050 0.593 -7.573
36 1HE2 GLN 6 HE21 GLN 6 9.273 -2.439 -8.511
37 2HE2 GLN 6 HE22 GLN 6 10.087 -3.153 -7.165
38 H LEU 7 HN LEU 7 4.582 2.333 -6.290
39 HA LEU 7 HA LEU 7 2.520 0.273 -5.920
40 1HB LEU 7 HB2 LEU 7 2.435 2.781 -4.347
41 2HB LEU 7 HB1 LEU 7 2.048 1.140 -3.867
42 HG LEU 7 HG LEU 7 4.900 1.975 -4.333
43 1HD1 LEU 7 HD11 LEU 7 5.148 2.720 -2.136
44 2HD1 LEU 7 HD12 LEU 7 3.589 2.065 -1.636
45 3HD1 LEU 7 HD13 LEU 7 3.655 3.486 -2.678
46 1HD2 LEU 7 HD21 LEU 7 5.300 -0.133 -3.763
47 2HD2 LEU 7 HD22 LEU 7 3.570 -0.427 -3.591
48 3HD2 LEU 7 HD23 LEU 7 4.511 0.128 -2.208
49 H ALA 8 HN ALA 8 3.191 3.301 -7.405
50 HA ALA 8 HA ALA 8 0.793 4.592 -7.525
51 1HB ALA 8 HB1 ALA 8 2.953 5.346 -8.535
52 2HB ALA 8 HB2 ALA 8 1.530 5.631 -9.536
53 3HB ALA 8 HB3 ALA 8 2.609 4.284 -9.900
54 H VAL 9 HN VAL 9 1.835 1.898 -9.513
55 HA VAL 9 HA VAL 9 -0.302 1.761 -11.264
56 HB VAL 9 HB VAL 9 1.744 0.436 -11.545
57 1HG1 VAL 9 HG11 VAL 9 0.683 -1.413 -9.422
58 2HG1 VAL 9 HG12 VAL 9 1.899 -0.176 -9.103
59 3HG1 VAL 9 HG13 VAL 9 2.243 -1.478 -10.242
60 1HG2 VAL 9 HG21 VAL 9 0.491 -0.750 -12.943
61 2HG2 VAL 9 HG22 VAL 9 -0.938 -0.482 -11.945
62 3HG2 VAL 9 HG23 VAL 9 0.114 -1.861 -11.627
63 H CYS 10 HN CYS 10 -0.100 0.900 -7.939
64 HA CYS 10 HA CYS 10 -2.536 -0.685 -7.967
65 1HB CYS 10 HB2 CYS 10 -0.408 -0.981 -6.464
66 2HB CYS 10 HB1 CYS 10 -1.177 0.249 -5.468
67 H ALA 11 HN ALA 11 -1.435 2.501 -7.157
68 HA ALA 11 HA ALA 11 -3.306 3.543 -5.500
69 1HB ALA 11 HB1 ALA 11 -1.384 4.774 -6.491
70 2HB ALA 11 HB2 ALA 11 -2.885 5.699 -6.455
71 3HB ALA 11 HB3 ALA 11 -2.333 4.972 -7.964
72 H SER 12 HN SER 12 -3.753 2.643 -8.812
73 HA SER 12 HA SER 12 -6.091 3.977 -9.444
74 1HB SER 12 HB2 SER 12 -5.335 1.169 -10.281
75 2HB SER 12 HB1 SER 12 -6.479 2.228 -11.104
76 HG SER 12 HG SER 12 -4.629 3.710 -11.313
77 H ALA 13 HN ALA 13 -5.593 1.072 -7.548
78 HA ALA 13 HA ALA 13 -8.408 0.533 -7.302
79 1HB ALA 13 HB1 ALA 13 -6.458 -0.815 -5.530
80 2HB ALA 13 HB2 ALA 13 -6.318 -1.110 -7.263
81 3HB ALA 13 HB3 ALA 13 -7.825 -1.479 -6.425
82 H ILE 14 HN ILE 14 -5.792 1.728 -5.233
83 HA ILE 14 HA ILE 14 -7.257 1.926 -2.850
84 HB ILE 14 HB ILE 14 -4.880 3.523 -3.812
85 1HG1 ILE 14 HG12 ILE 14 -3.833 2.066 -1.907
86 2HG1 ILE 14 HG11 ILE 14 -5.246 1.042 -2.159
87 1HG2 ILE 14 HG21 ILE 14 -4.883 3.640 -1.053
88 2HG2 ILE 14 HG22 ILE 14 -6.570 3.917 -1.485
89 3HG2 ILE 14 HG23 ILE 14 -5.307 4.950 -2.155
90 1HD1 ILE 14 HD11 ILE 14 -4.558 0.378 -4.240
91 2HD1 ILE 14 HD12 ILE 14 -3.009 0.578 -3.421
92 3HD1 ILE 14 HD13 ILE 14 -3.600 1.834 -4.510
93 H LEU 15 HN LEU 15 -6.530 4.439 -5.276
94 HA LEU 15 HA LEU 15 -8.237 6.365 -4.037
95 1HB LEU 15 HB2 LEU 15 -6.739 6.232 -6.628
96 2HB LEU 15 HB1 LEU 15 -7.902 7.514 -6.350
97 HG LEU 15 HG LEU 15 -5.493 6.956 -4.618
98 1HD1 LEU 15 HD11 LEU 15 -5.946 8.706 -6.966
99 2HD1 LEU 15 HD12 LEU 15 -4.484 7.876 -6.434
100 3HD1 LEU 15 HD13 LEU 15 -4.999 9.358 -5.629
101 1HD2 LEU 15 HD21 LEU 15 -6.225 9.441 -3.986
102 2HD2 LEU 15 HD22 LEU 15 -6.840 8.022 -3.138
103 3HD2 LEU 15 HD23 LEU 15 -7.809 8.785 -4.398
104 H SER 16 HN SER 16 -8.511 5.398 -7.436
105 HA SER 16 HA SER 16 -11.261 5.900 -7.579
106 1HB SER 16 HB2 SER 16 -10.031 5.884 -9.615
107 2HB SER 16 HB1 SER 16 -9.422 4.256 -9.320
108 HG SER 16 HG SER 16 -11.207 4.426 -10.847
109 H GLY 17 HN GLY 17 -9.877 2.661 -8.082
110 1HA GLY 17 HA2 GLY 17 -10.516 0.886 -6.459
111 2HA GLY 17 HA1 GLY 17 -12.128 1.583 -6.496
112 H ALA 18 HN ALA 18 -10.002 1.074 -9.266
113 HA ALA 18 HA ALA 18 -11.976 -0.056 -10.876
114 1HB ALA 18 HB1 ALA 18 -9.794 -1.011 -12.067
115 2HB ALA 18 HB2 ALA 18 -9.035 0.183 -11.015
116 3HB ALA 18 HB3 ALA 18 -10.269 0.685 -12.170
117 H LYS 19 HN LYS 19 -9.115 -1.858 -9.936
118 HA LYS 19 HA LYS 19 -10.540 -3.979 -8.700
119 1HB LYS 19 HB2 LYS 19 -9.770 -5.687 -10.475
120 2HB LYS 19 HB1 LYS 19 -11.213 -4.737 -10.802
121 1HG LYS 19 HG2 LYS 19 -8.827 -3.417 -11.768
122 2HG LYS 19 HG1 LYS 19 -9.005 -5.036 -12.448
123 1HD LYS 19 HD2 LYS 19 -11.011 -4.523 -13.479
124 2HD LYS 19 HD1 LYS 19 -11.357 -3.194 -12.371
125 1HE LYS 19 HE2 LYS 19 -10.696 -1.896 -14.081
126 2HE LYS 19 HE1 LYS 19 -9.072 -2.318 -13.541
127 1HZ LYS 19 HZ1 LYS 19 -10.327 -4.189 -15.375
128 2HZ LYS 19 HZ2 LYS 19 -8.729 -3.636 -15.316
129 3HZ LYS 19 HZ3 LYS 19 -9.928 -2.679 -16.027
130 HA PRO 20 HA PRO 20 -6.571 -4.434 -6.794
131 1HB PRO 20 HB2 PRO 20 -7.325 -7.310 -6.618
132 2HB PRO 20 HB1 PRO 20 -6.787 -6.208 -5.346
133 1HG PRO 20 HG2 PRO 20 -9.348 -6.907 -5.539
134 2HG PRO 20 HG1 PRO 20 -8.887 -5.251 -5.105
135 1HD PRO 20 HD2 PRO 20 -9.903 -6.319 -7.702
136 2HD PRO 20 HD1 PRO 20 -10.220 -4.757 -6.920
137 H SER 21 HN SER 21 -4.806 -6.374 -6.833
138 HA SER 21 HA SER 21 -4.459 -7.798 -9.234
139 1HB SER 21 HB2 SER 21 -3.454 -5.007 -9.180
140 2HB SER 21 HB1 SER 21 -2.351 -6.223 -9.823
141 HG SER 21 HG SER 21 -4.119 -6.868 -11.216
142 H GLY 22 HN GLY 22 -2.759 -9.211 -9.092
143 1HA GLY 22 HA2 GLY 22 -1.621 -9.643 -6.540
144 2HA GLY 22 HA1 GLY 22 -1.162 -10.469 -8.022
145 H GLU 23 HN GLU 23 -0.233 -8.330 -9.538
146 HA GLU 23 HA GLU 23 2.400 -8.134 -8.858
147 1HB GLU 23 HB2 GLU 23 1.067 -7.425 -10.997
148 2HB GLU 23 HB1 GLU 23 1.048 -5.839 -10.226
149 1HG GLU 23 HG2 GLU 23 3.652 -6.514 -9.984
150 2HG GLU 23 HG1 GLU 23 3.229 -7.298 -11.503
151 H CYS 24 HN CYS 24 -0.258 -6.067 -7.856
152 HA CYS 24 HA CYS 24 1.108 -3.934 -6.780
153 1HB CYS 24 HB2 CYS 24 -1.296 -3.896 -6.970
154 2HB CYS 24 HB1 CYS 24 -1.443 -5.231 -5.832
155 H CYS 25 HN CYS 25 -0.126 -6.668 -4.929
156 HA CYS 25 HA CYS 25 1.134 -6.113 -2.531
157 1HB CYS 25 HB2 CYS 25 0.589 -8.302 -1.849
158 2HB CYS 25 HB1 CYS 25 -0.648 -7.872 -3.021
159 H GLY 26 HN GLY 26 2.471 -7.426 -5.440
160 1HA GLY 26 HA2 GLY 26 4.832 -8.506 -4.180
161 2HA GLY 26 HA1 GLY 26 4.546 -8.354 -5.906
162 H ASN 27 HN ASN 27 3.997 -5.557 -5.927
163 HA ASN 27 HA ASN 27 6.523 -4.519 -6.309
164 1HB ASN 27 HB2 ASN 27 3.896 -3.127 -5.836
165 2HB ASN 27 HB1 ASN 27 5.366 -2.278 -6.301
166 1HD2 ASN 27 HD21 ASN 27 6.433 -3.107 -8.298
167 2HD2 ASN 27 HD22 ASN 27 5.408 -3.577 -9.606
168 H LEU 28 HN LEU 28 4.338 -3.991 -3.607
169 HA LEU 28 HA LEU 28 5.832 -2.248 -2.110
170 1HB LEU 28 HB2 LEU 28 4.581 -2.935 -0.193
171 2HB LEU 28 HB1 LEU 28 3.521 -2.944 -1.591
172 HG LEU 28 HG LEU 28 4.263 -5.493 -1.660
173 1HD1 LEU 28 HD11 LEU 28 4.029 -5.404 1.248
174 2HD1 LEU 28 HD12 LEU 28 5.534 -4.720 0.632
175 3HD1 LEU 28 HD13 LEU 28 5.084 -6.375 0.221
176 1HD2 LEU 28 HD21 LEU 28 1.968 -4.339 -1.340
177 2HD2 LEU 28 HD22 LEU 28 2.203 -4.718 0.366
178 3HD2 LEU 28 HD23 LEU 28 2.163 -6.015 -0.827
179 H ARG 29 HN ARG 29 6.128 -5.722 -2.318
180 HA ARG 29 HA ARG 29 7.825 -6.201 -0.220
181 1HB ARG 29 HB2 ARG 29 7.813 -7.561 -2.904
182 2HB ARG 29 HB1 ARG 29 8.551 -8.206 -1.441
183 1HG ARG 29 HG2 ARG 29 5.686 -7.456 -1.351
184 2HG ARG 29 HG1 ARG 29 6.141 -8.934 -2.205
185 1HD ARG 29 HD2 ARG 29 6.791 -8.230 0.646
186 2HD ARG 29 HD1 ARG 29 5.580 -9.392 0.117
187 HE ARG 29 HE ARG 29 8.464 -9.751 0.118
188 1HH1 ARG 29 HH11 ARG 29 5.348 -10.979 -0.876
189 2HH1 ARG 29 HH12 ARG 29 5.925 -12.592 -1.118
190 1HH2 ARG 29 HH21 ARG 29 9.220 -11.871 -0.205
191 2HH2 ARG 29 HH22 ARG 29 8.121 -13.099 -0.738
192 H ALA 30 HN ALA 30 8.654 -5.303 -3.505
193 HA ALA 30 HA ALA 30 11.402 -5.395 -3.320
194 1HB ALA 30 HB1 ALA 30 9.693 -3.424 -4.830
195 2HB ALA 30 HB2 ALA 30 10.326 -4.956 -5.432
196 3HB ALA 30 HB3 ALA 30 11.428 -3.629 -5.066
197 H GLN 31 HN GLN 31 9.129 -3.186 -1.970
198 HA GLN 31 HA GLN 31 11.097 -1.211 -1.203
199 1HB GLN 31 HB2 GLN 31 8.297 -1.357 -0.120
200 2HB GLN 31 HB1 GLN 31 9.313 0.057 -0.355
201 1HG GLN 31 HG2 GLN 31 9.115 -0.726 -2.890
202 2HG GLN 31 HG1 GLN 31 7.605 -1.397 -2.277
203 1HE2 GLN 31 HE21 GLN 31 9.368 1.461 -3.048
204 2HE2 GLN 31 HE22 GLN 31 8.067 2.586 -2.810
205 H GLN 32 HN GLN 32 8.700 -2.892 0.794
206 HA GLN 32 HA GLN 32 8.768 -3.614 2.947
207 1HB GLN 32 HB2 GLN 32 10.505 -5.086 1.401
208 2HB GLN 32 HB1 GLN 32 11.477 -4.677 2.808
209 1HG GLN 32 HG2 GLN 32 10.340 -6.064 4.141
210 2HG GLN 32 HG1 GLN 32 8.783 -5.597 3.458
211 1HE2 GLN 32 HE21 GLN 32 8.085 -6.625 1.513
212 2HE2 GLN 32 HE22 GLN 32 8.679 -8.189 1.090
213 H GLY 33 HN GLY 33 10.092 -0.957 2.276
214 1HA GLY 33 HA2 GLY 33 11.509 -0.675 4.848
215 2HA GLY 33 HA1 GLY 33 12.117 0.091 3.385
216 H CYS 34 HN CYS 34 10.815 1.751 2.388
217 HA CYS 34 HA CYS 34 9.771 3.589 4.197
218 1HB CYS 34 HB2 CYS 34 10.685 3.900 1.778
219 2HB CYS 34 HB1 CYS 34 9.004 3.649 1.346
220 H PHE 35 HN PHE 35 8.329 1.152 2.233
221 HA PHE 35 HA PHE 35 5.641 1.842 2.374
222 1HB PHE 35 HB2 PHE 35 5.950 0.120 0.903
223 2HB PHE 35 HB1 PHE 35 7.212 -0.613 1.881
224 HD1 PHE 35 HD1 PHE 35 3.664 0.126 2.769
225 HD2 PHE 35 HD2 PHE 35 6.637 -2.829 2.031
226 HE1 PHE 35 HE1 PHE 35 2.095 -1.631 3.485
227 HE2 PHE 35 HE2 PHE 35 5.075 -4.590 2.742
228 HZ PHE 35 HZ PHE 35 2.802 -3.991 3.476
229 H CYS 36 HN CYS 36 7.683 0.166 4.641
230 HA CYS 36 HA CYS 36 5.597 -0.588 6.436
231 1HB CYS 36 HB2 CYS 36 8.187 -1.342 6.157
232 2HB CYS 36 HB1 CYS 36 8.321 -0.253 7.534
233 H GLN 37 HN GLN 37 8.064 1.982 6.549
234 HA GLN 37 HA GLN 37 7.052 3.144 8.904
235 1HB GLN 37 HB2 GLN 37 8.540 5.070 8.296
236 2HB GLN 37 HB1 GLN 37 9.349 3.514 8.401
237 1HG GLN 37 HG2 GLN 37 9.724 3.398 6.149
238 2HG GLN 37 HG1 GLN 37 8.350 4.429 5.755
239 1HE2 GLN 37 HE21 GLN 37 10.646 4.936 4.482
240 2HE2 GLN 37 HE22 GLN 37 11.389 6.373 5.086
241 H TYR 38 HN TYR 38 6.223 3.406 5.586
242 HA TYR 38 HA TYR 38 5.131 5.951 5.422
243 1HB TYR 38 HB2 TYR 38 4.982 3.492 3.916
244 2HB TYR 38 HB1 TYR 38 3.404 4.270 3.966
245 HD1 TYR 38 HD1 TYR 38 3.778 7.031 3.727
246 HD2 TYR 38 HD2 TYR 38 6.129 3.947 1.978
247 HE1 TYR 38 HE1 TYR 38 4.482 8.582 1.953
248 HE2 TYR 38 HE2 TYR 38 6.840 5.489 0.200
249 HH TYR 38 HH TYR 38 5.639 7.780 -0.840
250 H ALA 39 HN ALA 39 4.036 3.198 7.178
251 HA ALA 39 HA ALA 39 1.317 3.643 7.368
252 1HB ALA 39 HB1 ALA 39 1.328 2.263 9.285
253 2HB ALA 39 HB2 ALA 39 3.008 2.662 9.646
254 3HB ALA 39 HB3 ALA 39 2.619 1.673 8.238
255 H LYS 40 HN LYS 40 3.884 5.524 8.637
256 HA LYS 40 HA LYS 40 2.173 6.828 10.607
257 1HB LYS 40 HB2 LYS 40 4.678 6.170 10.932
258 2HB LYS 40 HB1 LYS 40 4.997 7.645 10.030
259 1HG LYS 40 HG2 LYS 40 4.733 8.852 11.862
260 2HG LYS 40 HG1 LYS 40 3.095 8.229 12.064
261 1HD LYS 40 HD2 LYS 40 5.592 6.822 13.007
262 2HD LYS 40 HD1 LYS 40 4.562 7.828 14.029
263 1HE LYS 40 HE2 LYS 40 2.653 6.290 13.308
264 2HE LYS 40 HE1 LYS 40 3.911 5.208 12.711
265 1HZ LYS 40 HZ1 LYS 40 4.801 4.995 14.891
266 2HZ LYS 40 HZ2 LYS 40 3.136 4.721 15.004
267 3HZ LYS 40 HZ3 LYS 40 3.784 6.201 15.504
268 H ASP 41 HN ASP 41 3.413 7.275 7.437
269 HA ASP 41 HA ASP 41 3.391 10.045 7.181
270 1HB ASP 41 HB2 ASP 41 4.302 8.549 5.474
271 2HB ASP 41 HB1 ASP 41 2.682 7.942 5.124
272 HA PRO 42 HA PRO 42 -1.037 10.640 7.747
273 1HB PRO 42 HB2 PRO 42 -1.000 13.329 7.847
274 2HB PRO 42 HB1 PRO 42 -0.443 12.333 9.197
275 1HG PRO 42 HG2 PRO 42 1.157 13.732 7.089
276 2HG PRO 42 HG1 PRO 42 1.455 13.628 8.834
277 1HD PRO 42 HD2 PRO 42 2.730 12.063 6.999
278 2HD PRO 42 HD1 PRO 42 2.420 11.551 8.670
279 H THR 43 HN THR 43 0.814 12.648 5.454
280 HA THR 43 HA THR 43 -1.244 13.566 3.870
281 HB THR 43 HB THR 43 0.482 13.556 1.999
282 HG1 THR 43 HG1 THR 43 2.204 12.663 4.059
283 1HG2 THR 43 HG21 THR 43 1.043 14.826 4.649
284 2HG2 THR 43 HG22 THR 43 0.394 15.558 3.182
285 3HG2 THR 43 HG23 THR 43 2.090 15.081 3.254
286 H TYR 44 HN TYR 44 0.436 10.459 3.674
287 HA TYR 44 HA TYR 44 -1.328 9.615 1.501
288 1HB TYR 44 HB2 TYR 44 1.125 8.365 2.739
289 2HB TYR 44 HB1 TYR 44 0.144 7.557 1.521
290 HD1 TYR 44 HD1 TYR 44 0.575 7.912 -0.745
291 HD2 TYR 44 HD2 TYR 44 2.105 10.667 2.112
292 HE1 TYR 44 HE1 TYR 44 1.850 9.036 -2.522
293 HE2 TYR 44 HE2 TYR 44 3.384 11.800 0.344
294 HH TYR 44 HH TYR 44 4.282 11.347 -1.858
295 H GLY 45 HN GLY 45 -1.937 9.906 4.540
296 1HA GLY 45 HA2 GLY 45 -2.432 7.383 5.632
297 2HA GLY 45 HA1 GLY 45 -3.303 8.851 6.050
298 H GLN 46 HN GLN 46 -4.211 9.180 3.232
299 HA GLN 46 HA GLN 46 -6.636 7.720 3.475
300 1HB GLN 46 HB2 GLN 46 -5.891 10.012 2.179
301 2HB GLN 46 HB1 GLN 46 -6.044 8.881 0.841
302 1HG GLN 46 HG2 GLN 46 -8.311 8.488 1.288
303 2HG GLN 46 HG1 GLN 46 -8.204 9.212 2.893
304 1HE2 GLN 46 HE21 GLN 46 -9.259 11.047 2.977
305 2HE2 GLN 46 HE22 GLN 46 -9.320 12.255 1.731
306 H TYR 47 HN TYR 47 -3.627 7.189 1.859
307 HA TYR 47 HA TYR 47 -4.579 5.264 -0.019
308 1HB TYR 47 HB2 TYR 47 -2.394 6.695 -0.034
309 2HB TYR 47 HB1 TYR 47 -1.770 5.347 0.908
310 HD1 TYR 47 HD1 TYR 47 -3.035 6.370 -2.371
311 HD2 TYR 47 HD2 TYR 47 -1.366 3.197 -0.082
312 HE1 TYR 47 HE1 TYR 47 -2.581 5.122 -4.442
313 HE2 TYR 47 HE2 TYR 47 -0.907 1.940 -2.145
314 HH TYR 47 HH TYR 47 -1.597 1.818 -4.418
315 H ILE 48 HN ILE 48 -2.721 5.032 2.994
316 HA ILE 48 HA ILE 48 -2.731 2.203 3.060
317 HB ILE 48 HB ILE 48 -2.328 4.074 5.389
318 1HG1 ILE 48 HG12 ILE 48 -0.335 3.007 3.377
319 2HG1 ILE 48 HG11 ILE 48 -0.836 4.685 3.555
320 1HG2 ILE 48 HG21 ILE 48 -0.695 1.919 5.758
321 2HG2 ILE 48 HG22 ILE 48 -2.111 1.181 5.010
322 3HG2 ILE 48 HG23 ILE 48 -2.285 2.123 6.491
323 1HD1 ILE 48 HD11 ILE 48 0.772 3.037 5.481
324 2HD1 ILE 48 HD12 ILE 48 0.109 4.625 5.867
325 3HD1 ILE 48 HD13 ILE 48 1.291 4.455 4.569
326 H ARG 49 HN ARG 49 -4.729 4.668 4.654
327 HA ARG 49 HA ARG 49 -6.275 2.684 6.048
328 1HB ARG 49 HB2 ARG 49 -6.609 5.668 5.773
329 2HB ARG 49 HB1 ARG 49 -7.680 4.656 6.732
330 1HG ARG 49 HG2 ARG 49 -6.098 4.269 8.346
331 2HG ARG 49 HG1 ARG 49 -4.748 4.545 7.243
332 1HD ARG 49 HD2 ARG 49 -4.975 6.867 7.360
333 2HD ARG 49 HD1 ARG 49 -6.615 6.766 7.998
334 HE ARG 49 HE ARG 49 -5.142 5.597 9.934
335 1HH1 ARG 49 HH11 ARG 49 -4.867 8.646 8.258
336 2HH1 ARG 49 HH12 ARG 49 -4.137 9.461 9.599
337 1HH2 ARG 49 HH21 ARG 49 -4.185 6.669 11.702
338 2HH2 ARG 49 HH22 ARG 49 -3.749 8.339 11.555
339 H SER 50 HN SER 50 -6.244 2.569 3.130
340 HA SER 50 HA SER 50 -8.876 3.337 2.265
341 1HB SER 50 HB2 SER 50 -6.611 3.063 0.904
342 2HB SER 50 HB1 SER 50 -7.248 1.434 0.711
343 HG SER 50 HG SER 50 -8.219 2.410 -0.918
344 HA PRO 51 HA PRO 51 -10.861 -0.501 3.172
345 1HB PRO 51 HB2 PRO 51 -12.572 -0.640 0.954
346 2HB PRO 51 HB1 PRO 51 -12.896 0.189 2.474
347 1HG PRO 51 HG2 PRO 51 -12.474 1.355 -0.089
348 2HG PRO 51 HG1 PRO 51 -12.707 2.188 1.456
349 1HD PRO 51 HD2 PRO 51 -10.238 1.685 -0.055
350 2HD PRO 51 HD1 PRO 51 -10.567 2.898 1.198
351 H HIS 52 HN HIS 52 -10.131 -0.229 -0.275
352 HA HIS 52 HA HIS 52 -9.920 -3.074 -0.628
353 1HB HIS 52 HB2 HIS 52 -8.872 -1.316 -2.754
354 2HB HIS 52 HB1 HIS 52 -10.023 -2.644 -2.854
355 HD1 HIS 52 HD1 HIS 52 -10.168 0.452 -4.005
356 HD2 HIS 52 HD2 HIS 52 -12.357 -1.279 -0.929
357 HE1 HIS 52 HE1 HIS 52 -12.245 1.855 -3.774
358 HE2 HIS 52 HE2 HIS 52 -13.612 0.706 -2.005
359 H ALA 53 HN ALA 53 -7.779 -0.573 0.286
360 HA ALA 53 HA ALA 53 -5.377 -1.485 -0.771
361 1HB ALA 53 HB1 ALA 53 -5.992 0.121 1.681
362 2HB ALA 53 HB2 ALA 53 -5.406 0.692 0.119
363 3HB ALA 53 HB3 ALA 53 -4.343 -0.242 1.171
364 H ARG 54 HN ARG 54 -6.623 -1.935 2.490
365 HA ARG 54 HA ARG 54 -4.686 -3.714 3.370
366 1HB ARG 54 HB2 ARG 54 -7.547 -3.781 4.299
367 2HB ARG 54 HB1 ARG 54 -6.107 -4.195 5.216
368 1HG ARG 54 HG2 ARG 54 -5.786 -2.097 5.860
369 2HG ARG 54 HG1 ARG 54 -6.062 -1.462 4.238
370 1HD ARG 54 HD2 ARG 54 -8.412 -1.437 4.554
371 2HD ARG 54 HD1 ARG 54 -8.290 -2.390 6.033
372 HE ARG 54 HE ARG 54 -6.834 -0.123 6.509
373 1HH1 ARG 54 HH11 ARG 54 -10.135 -0.828 5.630
374 2HH1 ARG 54 HH12 ARG 54 -10.779 0.568 6.427
375 1HH2 ARG 54 HH21 ARG 54 -7.677 1.717 7.559
376 2HH2 ARG 54 HH22 ARG 54 -9.383 2.014 7.522
377 H ASP 55 HN ASP 55 -7.573 -4.246 1.523
378 HA ASP 55 HA ASP 55 -7.717 -7.039 1.815
379 1HB ASP 55 HB2 ASP 55 -9.460 -5.355 0.864
380 2HB ASP 55 HB1 ASP 55 -8.635 -5.689 -0.655
381 H THR 56 HN THR 56 -6.218 -4.998 -0.604
382 HA THR 56 HA THR 56 -5.322 -6.999 -2.308
383 HB THR 56 HB THR 56 -3.737 -4.537 -1.882
384 HG1 THR 56 HG1 THR 56 -5.270 -3.340 -2.969
385 1HG2 THR 56 HG21 THR 56 -2.866 -5.608 -3.703
386 2HG2 THR 56 HG22 THR 56 -4.055 -4.549 -4.462
387 3HG2 THR 56 HG23 THR 56 -4.430 -6.253 -4.200
388 H LEU 57 HN LEU 57 -3.608 -5.344 0.321
389 HA LEU 57 HA LEU 57 -1.263 -6.840 0.129
390 1HB LEU 57 HB2 LEU 57 -2.437 -4.950 1.996
391 2HB LEU 57 HB1 LEU 57 -1.330 -6.087 2.744
392 HG LEU 57 HG LEU 57 -0.052 -5.133 0.428
393 1HD1 LEU 57 HD11 LEU 57 -0.586 -2.702 1.981
394 2HD1 LEU 57 HD12 LEU 57 -1.930 -3.272 0.991
395 3HD1 LEU 57 HD13 LEU 57 -0.371 -2.919 0.244
396 1HD2 LEU 57 HD21 LEU 57 0.321 -5.118 3.333
397 2HD2 LEU 57 HD22 LEU 57 1.153 -3.820 2.477
398 3HD2 LEU 57 HD23 LEU 57 1.461 -5.501 2.043
399 H THR 58 HN THR 58 -4.111 -7.207 2.132
400 HA THR 58 HA THR 58 -3.212 -9.407 3.606
401 HB THR 58 HB THR 58 -6.037 -8.575 2.927
402 HG1 THR 58 HG1 THR 58 -4.803 -7.041 4.118
403 1HG2 THR 58 HG21 THR 58 -6.723 -9.799 4.919
404 2HG2 THR 58 HG22 THR 58 -5.081 -10.413 5.108
405 3HG2 THR 58 HG23 THR 58 -6.038 -10.873 3.700
406 H SER 59 HN SER 59 -5.015 -9.178 0.566
407 HA SER 59 HA SER 59 -5.648 -11.821 0.177
408 1HB SER 59 HB2 SER 59 -6.127 -9.740 -1.290
409 2HB SER 59 HB1 SER 59 -4.611 -10.179 -2.066
410 HG SER 59 HG SER 59 -6.633 -11.092 -2.967
411 H CYS 60 HN CYS 60 -2.658 -10.129 -0.310
412 HA CYS 60 HA CYS 60 -1.264 -12.402 -1.379
413 1HB CYS 60 HB2 CYS 60 -0.898 -9.721 -1.570
414 2HB CYS 60 HB1 CYS 60 0.257 -10.111 -0.306
415 H GLY 61 HN GLY 61 -1.468 -10.655 1.702
416 1HA GLY 61 HA2 GLY 61 -0.850 -11.264 3.822
417 2HA GLY 61 HA1 GLY 61 -0.882 -12.926 3.253
418 H LEU 62 HN LEU 62 1.164 -10.076 2.584
419 HA LEU 62 HA LEU 62 3.489 -11.823 3.032
420 1HB LEU 62 HB2 LEU 62 4.639 -9.774 1.783
421 2HB LEU 62 HB1 LEU 62 3.955 -11.143 0.937
422 HG LEU 62 HG LEU 62 1.792 -9.542 0.932
423 1HD1 LEU 62 HD11 LEU 62 3.273 -7.315 0.197
424 2HD1 LEU 62 HD12 LEU 62 3.988 -7.831 1.723
425 3HD1 LEU 62 HD13 LEU 62 2.262 -7.483 1.630
426 1HD2 LEU 62 HD21 LEU 62 2.292 -9.081 -1.320
427 2HD2 LEU 62 HD22 LEU 62 3.086 -10.615 -0.967
428 3HD2 LEU 62 HD23 LEU 62 4.030 -9.126 -1.029
429 H ALA 63 HN ALA 63 2.663 -8.358 3.331
430 HA ALA 63 HA ALA 63 3.744 -8.351 6.003
431 1HB ALA 63 HB1 ALA 63 5.390 -7.622 3.878
432 2HB ALA 63 HB2 ALA 63 5.677 -7.339 5.595
433 3HB ALA 63 HB3 ALA 63 4.887 -6.102 4.618
434 H VAL 64 HN VAL 64 2.680 -6.981 7.299
435 HA VAL 64 HA VAL 64 0.847 -5.084 6.053
436 HB VAL 64 HB VAL 64 -0.139 -6.952 7.433
437 1HG1 VAL 64 HG11 VAL 64 0.276 -7.220 9.635
438 2HG1 VAL 64 HG12 VAL 64 0.480 -5.491 9.919
439 3HG1 VAL 64 HG13 VAL 64 1.798 -6.431 9.219
440 1HG2 VAL 64 HG21 VAL 64 -1.709 -5.439 8.656
441 2HG2 VAL 64 HG22 VAL 64 -1.474 -5.029 6.957
442 3HG2 VAL 64 HG23 VAL 64 -0.665 -4.090 8.212
443 HA PRO 65 HA PRO 65 3.251 -1.738 7.692
444 1HB PRO 65 HB2 PRO 65 1.183 0.059 8.102
445 2HB PRO 65 HB1 PRO 65 2.005 -0.201 6.561
446 1HG PRO 65 HG2 PRO 65 -0.574 -1.340 7.553
447 2HG PRO 65 HG1 PRO 65 -0.173 -0.714 5.942
448 1HD PRO 65 HD2 PRO 65 -0.259 -3.339 6.399
449 2HD PRO 65 HD1 PRO 65 0.996 -2.644 5.352
450 H HIS 66 HN HIS 66 2.375 0.136 9.533
451 HA HIS 66 HA HIS 66 2.220 0.519 11.768
452 1HB HIS 66 HB2 HIS 66 0.516 -1.972 11.613
453 2HB HIS 66 HB1 HIS 66 0.712 -1.022 13.082
454 HD1 HIS 66 HD1 HIS 66 -1.240 -1.219 10.004
455 HD2 HIS 66 HD2 HIS 66 -0.337 1.683 12.833
456 HE1 HIS 66 HE1 HIS 66 -2.928 0.610 9.660
457 HE2 HIS 66 HE2 HIS 66 -2.424 2.308 11.447
458 H CYS 67 HN CYS 67 4.435 -1.007 10.694
459 HA CYS 67 HA CYS 67 5.073 -3.039 12.643
460 1HB CYS 67 HB2 CYS 67 7.266 -3.114 11.440
461 2HB CYS 67 HB1 CYS 67 5.872 -3.379 10.399
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 15.171 2.267 0.987
2 2H ALA 1 HT2 ALA 1 15.194 3.849 0.323
3 3H ALA 1 HT3 ALA 1 16.379 2.701 -0.148
4 HA ALA 1 HA ALA 1 14.971 2.679 -1.893
5 1HB ALA 1 HB1 ALA 1 14.288 0.512 -1.957
6 2HB ALA 1 HB2 ALA 1 13.511 0.593 -0.376
7 3HB ALA 1 HB3 ALA 1 15.265 0.443 -0.490
8 H CYS 2 HN CYS 2 13.663 4.424 -2.205
9 HA CYS 2 HA CYS 2 10.887 4.106 -1.398
10 1HB CYS 2 HB2 CYS 2 12.308 5.611 0.252
11 2HB CYS 2 HB1 CYS 2 12.051 6.827 -0.995
12 H GLN 3 HN GLN 3 11.003 3.614 -3.757
13 HA GLN 3 HA GLN 3 11.564 5.663 -5.637
14 1HB GLN 3 HB2 GLN 3 11.193 2.994 -5.831
15 2HB GLN 3 HB1 GLN 3 9.622 3.557 -6.384
16 1HG GLN 3 HG2 GLN 3 10.606 4.800 -8.160
17 2HG GLN 3 HG1 GLN 3 12.228 4.521 -7.528
18 1HE2 GLN 3 HE21 GLN 3 13.309 2.748 -8.140
19 2HE2 GLN 3 HE22 GLN 3 12.664 1.493 -9.137
20 H ALA 4 HN ALA 4 8.677 4.668 -3.915
21 HA ALA 4 HA ALA 4 6.619 5.610 -3.687
22 1HB ALA 4 HB1 ALA 4 6.541 7.878 -3.450
23 2HB ALA 4 HB2 ALA 4 7.512 8.175 -4.892
24 3HB ALA 4 HB3 ALA 4 8.288 7.638 -3.403
25 H SER 5 HN SER 5 7.615 4.496 -6.364
26 HA SER 5 HA SER 5 5.388 5.557 -7.967
27 1HB SER 5 HB2 SER 5 7.961 6.036 -8.625
28 2HB SER 5 HB1 SER 5 7.729 4.487 -9.436
29 HG SER 5 HG SER 5 6.208 6.857 -9.777
30 H GLN 6 HN GLN 6 7.192 2.804 -6.870
31 HA GLN 6 HA GLN 6 6.138 0.909 -8.663
32 1HB GLN 6 HB2 GLN 6 7.609 0.799 -6.073
33 2HB GLN 6 HB1 GLN 6 6.817 -0.661 -6.650
34 1HG GLN 6 HG2 GLN 6 8.075 -0.166 -8.860
35 2HG GLN 6 HG1 GLN 6 9.095 0.852 -7.845
36 1HE2 GLN 6 HE21 GLN 6 8.753 -2.160 -9.112
37 2HE2 GLN 6 HE22 GLN 6 9.738 -3.053 -8.010
38 H LEU 7 HN LEU 7 4.813 2.540 -5.994
39 HA LEU 7 HA LEU 7 2.782 0.482 -5.544
40 1HB LEU 7 HB2 LEU 7 2.822 3.023 -4.000
41 2HB LEU 7 HB1 LEU 7 2.394 1.405 -3.479
42 HG LEU 7 HG LEU 7 5.245 2.134 -4.108
43 1HD1 LEU 7 HD11 LEU 7 5.589 3.125 -2.116
44 2HD1 LEU 7 HD12 LEU 7 4.400 2.120 -1.287
45 3HD1 LEU 7 HD13 LEU 7 3.872 3.509 -2.236
46 1HD2 LEU 7 HD21 LEU 7 4.113 -0.270 -3.653
47 2HD2 LEU 7 HD22 LEU 7 4.502 0.208 -2.000
48 3HD2 LEU 7 HD23 LEU 7 5.775 0.128 -3.218
49 H ALA 8 HN ALA 8 3.240 3.607 -6.970
50 HA ALA 8 HA ALA 8 0.746 4.722 -6.939
51 1HB ALA 8 HB1 ALA 8 2.672 5.834 -7.916
52 2HB ALA 8 HB2 ALA 8 1.325 5.814 -9.054
53 3HB ALA 8 HB3 ALA 8 2.667 4.688 -9.256
54 H VAL 9 HN VAL 9 1.901 2.120 -8.958
55 HA VAL 9 HA VAL 9 -0.245 1.948 -10.721
56 HB VAL 9 HB VAL 9 1.871 0.773 -11.104
57 1HG1 VAL 9 HG11 VAL 9 1.020 -1.274 -9.081
58 2HG1 VAL 9 HG12 VAL 9 2.063 0.082 -8.652
59 3HG1 VAL 9 HG13 VAL 9 2.586 -1.083 -9.869
60 1HG2 VAL 9 HG21 VAL 9 -0.602 -0.063 -11.813
61 2HG2 VAL 9 HG22 VAL 9 0.015 -1.508 -11.011
62 3HG2 VAL 9 HG23 VAL 9 0.894 -0.812 -12.372
63 H CYS 10 HN CYS 10 0.097 0.955 -7.441
64 HA CYS 10 HA CYS 10 -2.186 -0.824 -7.462
65 1HB CYS 10 HB2 CYS 10 -0.049 -0.873 -5.933
66 2HB CYS 10 HB1 CYS 10 -0.960 0.276 -4.960
67 H ALA 11 HN ALA 11 -1.420 2.464 -6.623
68 HA ALA 11 HA ALA 11 -3.445 3.293 -5.024
69 1HB ALA 11 HB1 ALA 11 -3.142 5.239 -7.109
70 2HB ALA 11 HB2 ALA 11 -1.577 4.538 -6.696
71 3HB ALA 11 HB3 ALA 11 -2.566 5.287 -5.442
72 H SER 12 HN SER 12 -3.681 2.372 -8.349
73 HA SER 12 HA SER 12 -6.067 3.515 -9.119
74 1HB SER 12 HB2 SER 12 -4.989 0.774 -9.814
75 2HB SER 12 HB1 SER 12 -6.305 1.580 -10.667
76 HG SER 12 HG SER 12 -4.135 1.824 -11.587
77 H ALA 13 HN ALA 13 -5.524 0.526 -7.309
78 HA ALA 13 HA ALA 13 -8.331 -0.025 -7.072
79 1HB ALA 13 HB1 ALA 13 -7.737 -2.034 -6.089
80 2HB ALA 13 HB2 ALA 13 -6.233 -1.384 -5.437
81 3HB ALA 13 HB3 ALA 13 -6.375 -1.716 -7.163
82 H ILE 14 HN ILE 14 -5.899 1.622 -5.235
83 HA ILE 14 HA ILE 14 -7.170 1.521 -2.700
84 HB ILE 14 HB ILE 14 -5.046 3.286 -3.886
85 1HG1 ILE 14 HG12 ILE 14 -3.880 2.254 -1.770
86 2HG1 ILE 14 HG11 ILE 14 -5.187 1.077 -1.868
87 1HG2 ILE 14 HG21 ILE 14 -6.290 4.775 -2.456
88 2HG2 ILE 14 HG22 ILE 14 -4.772 4.345 -1.670
89 3HG2 ILE 14 HG23 ILE 14 -6.277 3.587 -1.151
90 1HD1 ILE 14 HD11 ILE 14 -3.277 0.206 -3.006
91 2HD1 ILE 14 HD12 ILE 14 -3.119 1.672 -3.971
92 3HD1 ILE 14 HD13 ILE 14 -4.504 0.605 -4.207
93 H LEU 15 HN LEU 15 -6.856 4.255 -4.976
94 HA LEU 15 HA LEU 15 -8.913 5.749 -3.673
95 1HB LEU 15 HB2 LEU 15 -7.443 6.132 -6.273
96 2HB LEU 15 HB1 LEU 15 -8.671 7.246 -5.705
97 HG LEU 15 HG LEU 15 -6.362 6.602 -3.922
98 1HD1 LEU 15 HD11 LEU 15 -5.125 8.495 -4.925
99 2HD1 LEU 15 HD12 LEU 15 -6.301 8.528 -6.238
100 3HD1 LEU 15 HD13 LEU 15 -5.277 7.111 -6.008
101 1HD2 LEU 15 HD21 LEU 15 -6.759 8.875 -3.146
102 2HD2 LEU 15 HD22 LEU 15 -8.241 7.922 -3.074
103 3HD2 LEU 15 HD23 LEU 15 -8.007 9.090 -4.374
104 H SER 16 HN SER 16 -8.857 5.037 -7.147
105 HA SER 16 HA SER 16 -11.611 5.165 -7.492
106 1HB SER 16 HB2 SER 16 -10.809 3.444 -9.491
107 2HB SER 16 HB1 SER 16 -10.739 5.204 -9.572
108 HG SER 16 HG SER 16 -8.720 3.420 -9.504
109 H GLY 17 HN GLY 17 -9.655 2.173 -7.516
110 1HA GLY 17 HA2 GLY 17 -10.201 0.236 -6.241
111 2HA GLY 17 HA1 GLY 17 -11.855 0.815 -6.124
112 H ALA 18 HN ALA 18 -9.931 0.639 -9.070
113 HA ALA 18 HA ALA 18 -11.933 -0.553 -10.594
114 1HB ALA 18 HB1 ALA 18 -10.518 0.040 -12.193
115 2HB ALA 18 HB2 ALA 18 -9.447 -1.279 -11.722
116 3HB ALA 18 HB3 ALA 18 -9.256 0.316 -10.993
117 H LYS 19 HN LYS 19 -8.885 -2.198 -10.059
118 HA LYS 19 HA LYS 19 -10.091 -4.522 -8.901
119 1HB LYS 19 HB2 LYS 19 -8.847 -4.744 -11.648
120 2HB LYS 19 HB1 LYS 19 -9.453 -6.077 -10.676
121 1HG LYS 19 HG2 LYS 19 -11.224 -5.796 -12.054
122 2HG LYS 19 HG1 LYS 19 -11.681 -4.663 -10.786
123 1HD LYS 19 HD2 LYS 19 -11.963 -3.312 -12.604
124 2HD LYS 19 HD1 LYS 19 -10.257 -2.997 -12.278
125 1HE LYS 19 HE2 LYS 19 -9.908 -5.055 -13.873
126 2HE LYS 19 HE1 LYS 19 -11.515 -4.610 -14.446
127 1HZ LYS 19 HZ1 LYS 19 -10.746 -2.755 -15.423
128 2HZ LYS 19 HZ2 LYS 19 -9.261 -3.565 -15.401
129 3HZ LYS 19 HZ3 LYS 19 -9.621 -2.426 -14.203
130 HA PRO 20 HA PRO 20 -6.003 -4.791 -7.234
131 1HB PRO 20 HB2 PRO 20 -5.956 -7.403 -6.487
132 2HB PRO 20 HB1 PRO 20 -6.869 -6.169 -5.612
133 1HG PRO 20 HG2 PRO 20 -7.829 -8.160 -7.631
134 2HG PRO 20 HG1 PRO 20 -8.577 -7.669 -6.100
135 1HD PRO 20 HD2 PRO 20 -9.401 -6.709 -8.491
136 2HD PRO 20 HD1 PRO 20 -9.461 -5.741 -7.004
137 H SER 21 HN SER 21 -4.115 -6.570 -7.287
138 HA SER 21 HA SER 21 -3.795 -8.107 -9.625
139 1HB SER 21 HB2 SER 21 -1.899 -6.551 -10.544
140 2HB SER 21 HB1 SER 21 -3.578 -6.223 -10.973
141 HG SER 21 HG SER 21 -1.895 -4.591 -9.809
142 H GLY 22 HN GLY 22 -2.055 -9.441 -9.452
143 1HA GLY 22 HA2 GLY 22 -0.779 -9.736 -6.986
144 2HA GLY 22 HA1 GLY 22 -0.254 -10.485 -8.486
145 H GLU 23 HN GLU 23 0.111 -7.810 -9.754
146 HA GLU 23 HA GLU 23 2.814 -7.477 -9.390
147 1HB GLU 23 HB2 GLU 23 1.136 -6.549 -11.174
148 2HB GLU 23 HB1 GLU 23 1.075 -5.146 -10.106
149 1HG GLU 23 HG2 GLU 23 3.714 -5.445 -10.281
150 2HG GLU 23 HG1 GLU 23 3.241 -6.136 -11.830
151 H CYS 24 HN CYS 24 0.139 -5.765 -7.821
152 HA CYS 24 HA CYS 24 1.580 -3.848 -6.452
153 1HB CYS 24 HB2 CYS 24 -0.889 -3.900 -6.605
154 2HB CYS 24 HB1 CYS 24 -0.911 -5.259 -5.486
155 H CYS 25 HN CYS 25 1.377 -7.234 -5.887
156 HA CYS 25 HA CYS 25 2.229 -7.139 -3.143
157 1HB CYS 25 HB2 CYS 25 2.065 -9.409 -5.132
158 2HB CYS 25 HB1 CYS 25 2.557 -9.614 -3.456
159 H GLY 26 HN GLY 26 3.765 -7.886 -6.255
160 1HA GLY 26 HA2 GLY 26 6.339 -8.374 -5.114
161 2HA GLY 26 HA1 GLY 26 5.984 -8.147 -6.820
162 H ASN 27 HN ASN 27 4.767 -5.541 -6.502
163 HA ASN 27 HA ASN 27 7.035 -3.944 -6.755
164 1HB ASN 27 HB2 ASN 27 4.145 -3.212 -6.335
165 2HB ASN 27 HB1 ASN 27 5.404 -2.031 -6.681
166 1HD2 ASN 27 HD21 ASN 27 6.766 -2.638 -8.651
167 2HD2 ASN 27 HD22 ASN 27 5.885 -3.166 -10.039
168 H LEU 28 HN LEU 28 4.564 -3.845 -4.251
169 HA LEU 28 HA LEU 28 5.822 -2.094 -2.533
170 1HB LEU 28 HB2 LEU 28 4.238 -2.642 -0.947
171 2HB LEU 28 HB1 LEU 28 3.442 -3.069 -2.450
172 HG LEU 28 HG LEU 28 4.491 -5.438 -1.923
173 1HD1 LEU 28 HD11 LEU 28 5.402 -4.159 0.259
174 2HD1 LEU 28 HD12 LEU 28 5.049 -5.885 0.214
175 3HD1 LEU 28 HD13 LEU 28 3.863 -4.761 0.873
176 1HD2 LEU 28 HD21 LEU 28 2.132 -4.835 -0.243
177 2HD2 LEU 28 HD22 LEU 28 2.370 -6.092 -1.457
178 3HD2 LEU 28 HD23 LEU 28 2.012 -4.440 -1.958
179 H ARG 29 HN ARG 29 6.329 -5.485 -3.014
180 HA ARG 29 HA ARG 29 7.735 -6.102 -0.710
181 1HB ARG 29 HB2 ARG 29 7.280 -7.300 -3.317
182 2HB ARG 29 HB1 ARG 29 8.886 -7.658 -2.702
183 1HG ARG 29 HG2 ARG 29 7.016 -9.300 -2.187
184 2HG ARG 29 HG1 ARG 29 8.057 -8.804 -0.856
185 1HD ARG 29 HD2 ARG 29 5.789 -7.038 -1.127
186 2HD ARG 29 HD1 ARG 29 5.273 -8.714 -0.953
187 HE ARG 29 HE ARG 29 6.322 -7.065 1.084
188 1HH1 ARG 29 HH11 ARG 29 6.460 -10.346 -0.098
189 2HH1 ARG 29 HH12 ARG 29 6.820 -11.022 1.454
190 1HH2 ARG 29 HH21 ARG 29 6.795 -7.953 3.127
191 2HH2 ARG 29 HH22 ARG 29 7.009 -9.665 3.285
192 H ALA 30 HN ALA 30 8.895 -4.976 -3.824
193 HA ALA 30 HA ALA 30 11.605 -5.040 -3.397
194 1HB ALA 30 HB1 ALA 30 11.792 -3.808 -5.284
195 2HB ALA 30 HB2 ALA 30 10.611 -2.614 -4.748
196 3HB ALA 30 HB3 ALA 30 10.067 -4.155 -5.411
197 H GLN 31 HN GLN 31 9.230 -2.975 -1.995
198 HA GLN 31 HA GLN 31 11.121 -1.018 -1.032
199 1HB GLN 31 HB2 GLN 31 8.344 -1.275 0.054
200 2HB GLN 31 HB1 GLN 31 9.305 0.171 -0.216
201 1HG GLN 31 HG2 GLN 31 8.965 -0.895 -2.747
202 2HG GLN 31 HG1 GLN 31 7.411 -1.145 -1.953
203 1HE2 GLN 31 HE21 GLN 31 9.670 1.161 -3.175
204 2HE2 GLN 31 HE22 GLN 31 8.652 2.558 -3.014
205 H GLN 32 HN GLN 32 8.754 -2.950 0.785
206 HA GLN 32 HA GLN 32 8.823 -3.789 2.902
207 1HB GLN 32 HB2 GLN 32 10.549 -5.148 1.304
208 2HB GLN 32 HB1 GLN 32 11.601 -4.702 2.639
209 1HG GLN 32 HG2 GLN 32 10.743 -6.293 3.914
210 2HG GLN 32 HG1 GLN 32 9.112 -5.676 3.654
211 1HE2 GLN 32 HE21 GLN 32 8.562 -6.121 1.121
212 2HE2 GLN 32 HE22 GLN 32 8.662 -7.799 0.723
213 H GLY 33 HN GLY 33 10.030 -1.042 2.432
214 1HA GLY 33 HA2 GLY 33 11.224 -0.817 5.097
215 2HA GLY 33 HA1 GLY 33 12.142 -0.197 3.732
216 H CYS 34 HN CYS 34 11.171 1.525 2.454
217 HA CYS 34 HA CYS 34 10.180 3.596 4.006
218 1HB CYS 34 HB2 CYS 34 11.331 3.600 1.661
219 2HB CYS 34 HB1 CYS 34 9.670 3.527 1.100
220 H PHE 35 HN PHE 35 8.608 1.236 2.028
221 HA PHE 35 HA PHE 35 6.038 2.286 1.906
222 1HB PHE 35 HB2 PHE 35 6.060 0.503 0.531
223 2HB PHE 35 HB1 PHE 35 7.344 -0.273 1.443
224 HD1 PHE 35 HD1 PHE 35 6.735 -2.455 1.690
225 HD2 PHE 35 HD2 PHE 35 3.842 0.573 2.444
226 HE1 PHE 35 HE1 PHE 35 5.152 -4.171 2.456
227 HE2 PHE 35 HE2 PHE 35 2.252 -1.138 3.222
228 HZ PHE 35 HZ PHE 35 2.906 -3.512 3.232
229 H CYS 36 HN CYS 36 7.535 0.237 4.313
230 HA CYS 36 HA CYS 36 5.252 -0.095 5.946
231 1HB CYS 36 HB2 CYS 36 7.145 -1.585 6.189
232 2HB CYS 36 HB1 CYS 36 8.197 -0.242 6.623
233 H GLN 37 HN GLN 37 7.721 2.388 5.757
234 HA GLN 37 HA GLN 37 7.265 3.691 8.161
235 1HB GLN 37 HB2 GLN 37 8.082 4.910 5.529
236 2HB GLN 37 HB1 GLN 37 8.269 5.665 7.104
237 1HG GLN 37 HG2 GLN 37 9.792 3.865 7.774
238 2HG GLN 37 HG1 GLN 37 9.627 3.147 6.171
239 1HE2 GLN 37 HE21 GLN 37 9.722 5.318 4.547
240 2HE2 GLN 37 HE22 GLN 37 11.267 6.083 4.666
241 H TYR 38 HN TYR 38 5.579 3.878 5.120
242 HA TYR 38 HA TYR 38 4.064 6.191 5.626
243 1HB TYR 38 HB2 TYR 38 3.553 3.807 3.851
244 2HB TYR 38 HB1 TYR 38 2.480 5.202 3.904
245 HD1 TYR 38 HD1 TYR 38 3.996 7.525 3.814
246 HD2 TYR 38 HD2 TYR 38 4.940 3.788 2.021
247 HE1 TYR 38 HE1 TYR 38 5.419 8.678 2.174
248 HE2 TYR 38 HE2 TYR 38 6.370 4.928 0.377
249 HH TYR 38 HH TYR 38 7.530 7.908 0.703
250 H ALA 39 HN ALA 39 3.887 3.101 7.034
251 HA ALA 39 HA ALA 39 1.247 2.635 7.527
252 1HB ALA 39 HB1 ALA 39 2.047 1.689 9.751
253 2HB ALA 39 HB2 ALA 39 3.655 2.223 9.265
254 3HB ALA 39 HB3 ALA 39 2.787 1.038 8.289
255 H LYS 40 HN LYS 40 3.243 5.131 8.859
256 HA LYS 40 HA LYS 40 0.970 6.062 10.480
257 1HB LYS 40 HB2 LYS 40 3.800 5.753 11.130
258 2HB LYS 40 HB1 LYS 40 3.181 7.353 11.512
259 1HG LYS 40 HG2 LYS 40 1.635 6.527 13.042
260 2HG LYS 40 HG1 LYS 40 1.725 4.889 12.389
261 1HD LYS 40 HD2 LYS 40 4.050 6.254 13.730
262 2HD LYS 40 HD1 LYS 40 2.882 5.263 14.605
263 1HE LYS 40 HE2 LYS 40 3.435 3.475 12.809
264 2HE LYS 40 HE1 LYS 40 4.879 4.449 12.529
265 1HZ LYS 40 HZ1 LYS 40 4.987 2.538 14.215
266 2HZ LYS 40 HZ2 LYS 40 4.162 3.585 15.256
267 3HZ LYS 40 HZ3 LYS 40 5.676 4.023 14.643
268 H ASP 41 HN ASP 41 3.385 6.876 8.140
269 HA ASP 41 HA ASP 41 3.233 9.667 8.199
270 1HB ASP 41 HB2 ASP 41 4.846 8.117 6.896
271 2HB ASP 41 HB1 ASP 41 3.600 8.122 5.646
272 HA PRO 42 HA PRO 42 -0.999 9.827 6.597
273 1HB PRO 42 HB2 PRO 42 -1.216 12.497 7.595
274 2HB PRO 42 HB1 PRO 42 -1.913 11.027 8.274
275 1HG PRO 42 HG2 PRO 42 0.082 12.537 9.458
276 2HG PRO 42 HG1 PRO 42 -0.279 10.846 9.839
277 1HD PRO 42 HD2 PRO 42 1.871 11.985 8.108
278 2HD PRO 42 HD1 PRO 42 1.915 10.578 9.193
279 H THR 43 HN THR 43 1.304 10.427 4.912
280 HA THR 43 HA THR 43 1.042 12.982 3.732
281 HB THR 43 HB THR 43 2.281 11.851 1.795
282 HG1 THR 43 HG1 THR 43 2.614 9.743 3.640
283 1HG2 THR 43 HG21 THR 43 4.132 11.180 3.798
284 2HG2 THR 43 HG22 THR 43 3.214 12.566 4.388
285 3HG2 THR 43 HG23 THR 43 4.049 12.656 2.837
286 H TYR 44 HN TYR 44 -0.380 9.835 3.052
287 HA TYR 44 HA TYR 44 -1.887 10.966 0.810
288 1HB TYR 44 HB2 TYR 44 -1.920 8.089 1.714
289 2HB TYR 44 HB1 TYR 44 -2.364 8.739 0.140
290 HD1 TYR 44 HD1 TYR 44 -0.556 9.634 -1.362
291 HD2 TYR 44 HD2 TYR 44 0.308 7.458 2.191
292 HE1 TYR 44 HE1 TYR 44 1.722 9.207 -2.184
293 HE2 TYR 44 HE2 TYR 44 2.589 7.027 1.379
294 HH TYR 44 HH TYR 44 3.906 8.636 -1.346
295 H GLY 45 HN GLY 45 -2.498 8.976 3.710
296 1HA GLY 45 HA2 GLY 45 -4.217 9.207 5.260
297 2HA GLY 45 HA1 GLY 45 -4.887 10.506 4.285
298 H GLN 46 HN GLN 46 -5.510 9.497 1.946
299 HA GLN 46 HA GLN 46 -7.702 7.767 2.525
300 1HB GLN 46 HB2 GLN 46 -6.677 8.776 -0.131
301 2HB GLN 46 HB1 GLN 46 -8.224 7.983 0.132
302 1HG GLN 46 HG2 GLN 46 -9.071 9.799 1.353
303 2HG GLN 46 HG1 GLN 46 -7.472 10.513 1.555
304 1HE2 GLN 46 HE21 GLN 46 -6.368 11.079 -0.544
305 2HE2 GLN 46 HE22 GLN 46 -7.353 11.832 -1.760
306 H TYR 47 HN TYR 47 -4.466 7.315 1.466
307 HA TYR 47 HA TYR 47 -4.906 4.783 0.188
308 1HB TYR 47 HB2 TYR 47 -2.997 6.516 -0.198
309 2HB TYR 47 HB1 TYR 47 -2.253 5.675 1.156
310 HD1 TYR 47 HD1 TYR 47 -2.664 5.711 -2.345
311 HD2 TYR 47 HD2 TYR 47 -2.079 3.086 0.951
312 HE1 TYR 47 HE1 TYR 47 -1.813 3.985 -3.878
313 HE2 TYR 47 HE2 TYR 47 -1.228 1.352 -0.571
314 HH TYR 47 HH TYR 47 -1.349 0.741 -2.918
315 H ILE 48 HN ILE 48 -3.356 5.813 3.216
316 HA ILE 48 HA ILE 48 -2.869 3.206 4.162
317 HB ILE 48 HB ILE 48 -3.191 5.740 5.772
318 1HG1 ILE 48 HG12 ILE 48 -1.463 5.883 3.998
319 2HG1 ILE 48 HG11 ILE 48 -0.774 5.947 5.617
320 1HG2 ILE 48 HG21 ILE 48 -2.959 3.102 6.653
321 2HG2 ILE 48 HG22 ILE 48 -2.733 4.568 7.606
322 3HG2 ILE 48 HG23 ILE 48 -1.348 3.794 6.836
323 1HD1 ILE 48 HD11 ILE 48 -0.424 3.966 3.492
324 2HD1 ILE 48 HD12 ILE 48 -0.653 3.290 5.105
325 3HD1 ILE 48 HD13 ILE 48 0.656 4.433 4.805
326 H ARG 49 HN ARG 49 -5.343 5.552 5.240
327 HA ARG 49 HA ARG 49 -6.775 3.471 6.618
328 1HB ARG 49 HB2 ARG 49 -7.561 6.345 6.114
329 2HB ARG 49 HB1 ARG 49 -8.361 5.242 7.225
330 1HG ARG 49 HG2 ARG 49 -6.315 5.103 8.559
331 2HG ARG 49 HG1 ARG 49 -5.523 6.223 7.449
332 1HD ARG 49 HD2 ARG 49 -6.699 8.026 8.209
333 2HD ARG 49 HD1 ARG 49 -8.105 7.059 8.652
334 HE ARG 49 HE ARG 49 -5.847 7.699 10.311
335 1HH1 ARG 49 HH11 ARG 49 -8.459 5.447 9.779
336 2HH1 ARG 49 HH12 ARG 49 -8.498 4.911 11.425
337 1HH2 ARG 49 HH21 ARG 49 -5.896 6.994 12.476
338 2HH2 ARG 49 HH22 ARG 49 -7.043 5.789 12.957
339 H SER 50 HN SER 50 -6.483 3.150 3.761
340 HA SER 50 HA SER 50 -9.054 3.655 2.582
341 1HB SER 50 HB2 SER 50 -6.655 3.443 1.477
342 2HB SER 50 HB1 SER 50 -7.153 1.758 1.370
343 HG SER 50 HG SER 50 -8.632 3.964 0.386
344 HA PRO 51 HA PRO 51 -10.902 -0.162 3.844
345 1HB PRO 51 HB2 PRO 51 -12.969 -0.286 2.146
346 2HB PRO 51 HB1 PRO 51 -12.875 0.962 3.395
347 1HG PRO 51 HG2 PRO 51 -12.246 1.151 0.476
348 2HG PRO 51 HG1 PRO 51 -13.104 2.304 1.513
349 1HD PRO 51 HD2 PRO 51 -10.454 2.532 0.806
350 2HD PRO 51 HD1 PRO 51 -11.163 3.249 2.266
351 H HIS 52 HN HIS 52 -10.446 0.243 0.336
352 HA HIS 52 HA HIS 52 -10.477 -2.591 -0.136
353 1HB HIS 52 HB2 HIS 52 -9.523 -0.542 -2.114
354 2HB HIS 52 HB1 HIS 52 -10.312 -2.085 -2.423
355 HD1 HIS 52 HD1 HIS 52 -12.923 -2.112 -1.405
356 HD2 HIS 52 HD2 HIS 52 -11.208 1.547 -2.376
357 HE1 HIS 52 HE1 HIS 52 -14.848 -0.516 -1.671
358 HE2 HIS 52 HE2 HIS 52 -13.781 1.711 -2.171
359 H ALA 53 HN ALA 53 -8.047 -0.157 0.347
360 HA ALA 53 HA ALA 53 -5.843 -1.446 -0.732
361 1HB ALA 53 HB1 ALA 53 -5.912 0.922 0.034
362 2HB ALA 53 HB2 ALA 53 -4.479 0.031 0.547
363 3HB ALA 53 HB3 ALA 53 -5.790 0.325 1.690
364 H ARG 54 HN ARG 54 -6.925 -1.404 2.615
365 HA ARG 54 HA ARG 54 -5.058 -3.132 3.680
366 1HB ARG 54 HB2 ARG 54 -7.784 -2.267 4.454
367 2HB ARG 54 HB1 ARG 54 -7.159 -3.707 5.246
368 1HG ARG 54 HG2 ARG 54 -5.702 -2.547 6.489
369 2HG ARG 54 HG1 ARG 54 -5.290 -1.452 5.168
370 1HD ARG 54 HD2 ARG 54 -6.424 -0.358 7.108
371 2HD ARG 54 HD1 ARG 54 -7.235 -0.128 5.559
372 HE ARG 54 HE ARG 54 -8.472 -2.301 6.599
373 1HH1 ARG 54 HH11 ARG 54 -7.825 0.902 7.824
374 2HH1 ARG 54 HH12 ARG 54 -9.239 0.941 8.823
375 1HH2 ARG 54 HH21 ARG 54 -10.332 -2.251 7.913
376 2HH2 ARG 54 HH22 ARG 54 -10.662 -0.849 8.875
377 H ASP 55 HN ASP 55 -8.015 -3.827 1.979
378 HA ASP 55 HA ASP 55 -8.072 -6.597 2.522
379 1HB ASP 55 HB2 ASP 55 -9.942 -5.032 1.600
380 2HB ASP 55 HB1 ASP 55 -9.237 -5.463 0.046
381 H THR 56 HN THR 56 -6.784 -4.675 -0.091
382 HA THR 56 HA THR 56 -5.985 -6.741 -1.768
383 HB THR 56 HB THR 56 -4.412 -4.244 -1.566
384 HG1 THR 56 HG1 THR 56 -7.049 -4.434 -2.564
385 1HG2 THR 56 HG21 THR 56 -3.688 -4.897 -3.544
386 2HG2 THR 56 HG22 THR 56 -5.323 -4.676 -4.166
387 3HG2 THR 56 HG23 THR 56 -4.818 -6.250 -3.551
388 H LEU 57 HN LEU 57 -4.137 -4.952 0.678
389 HA LEU 57 HA LEU 57 -1.774 -6.401 0.388
390 1HB LEU 57 HB2 LEU 57 -2.864 -4.462 2.242
391 2HB LEU 57 HB1 LEU 57 -1.757 -5.588 3.008
392 HG LEU 57 HG LEU 57 -0.566 -4.687 0.595
393 1HD1 LEU 57 HD11 LEU 57 -1.676 -2.488 2.321
394 2HD1 LEU 57 HD12 LEU 57 -1.956 -2.750 0.600
395 3HD1 LEU 57 HD13 LEU 57 -0.358 -2.268 1.169
396 1HD2 LEU 57 HD21 LEU 57 1.069 -3.693 2.264
397 2HD2 LEU 57 HD22 LEU 57 0.781 -5.429 2.372
398 3HD2 LEU 57 HD23 LEU 57 0.009 -4.334 3.519
399 H THR 58 HN THR 58 -4.455 -6.758 2.612
400 HA THR 58 HA THR 58 -3.434 -8.911 4.064
401 HB THR 58 HB THR 58 -6.325 -8.203 3.538
402 HG1 THR 58 HG1 THR 58 -5.841 -6.555 4.722
403 1HG2 THR 58 HG21 THR 58 -7.005 -9.591 5.180
404 2HG2 THR 58 HG22 THR 58 -5.489 -9.463 6.072
405 3HG2 THR 58 HG23 THR 58 -5.591 -10.502 4.651
406 H SER 59 HN SER 59 -5.454 -8.799 1.155
407 HA SER 59 HA SER 59 -6.050 -11.465 0.882
408 1HB SER 59 HB2 SER 59 -6.701 -9.440 -0.593
409 2HB SER 59 HB1 SER 59 -5.236 -9.854 -1.473
410 HG SER 59 HG SER 59 -6.104 -11.943 -1.798
411 H CYS 60 HN CYS 60 -3.151 -9.724 0.083
412 HA CYS 60 HA CYS 60 -1.812 -12.014 -1.023
413 1HB CYS 60 HB2 CYS 60 -1.507 -9.355 -1.385
414 2HB CYS 60 HB1 CYS 60 -0.262 -9.640 -0.178
415 H GLY 61 HN GLY 61 -1.919 -10.273 2.045
416 1HA GLY 61 HA2 GLY 61 -1.019 -10.757 4.101
417 2HA GLY 61 HA1 GLY 61 -1.079 -12.438 3.588
418 H LEU 62 HN LEU 62 0.817 -9.696 2.363
419 HA LEU 62 HA LEU 62 3.230 -11.307 2.820
420 1HB LEU 62 HB2 LEU 62 4.271 -9.843 1.069
421 2HB LEU 62 HB1 LEU 62 3.009 -10.920 0.507
422 HG LEU 62 HG LEU 62 1.442 -8.882 0.746
423 1HD1 LEU 62 HD11 LEU 62 3.909 -7.732 1.591
424 2HD1 LEU 62 HD12 LEU 62 2.318 -6.981 1.473
425 3HD1 LEU 62 HD13 LEU 62 3.405 -6.966 0.086
426 1HD2 LEU 62 HD21 LEU 62 2.676 -9.982 -1.349
427 2HD2 LEU 62 HD22 LEU 62 3.398 -8.374 -1.412
428 3HD2 LEU 62 HD23 LEU 62 1.647 -8.556 -1.485
429 H ALA 63 HN ALA 63 1.914 -8.036 3.104
430 HA ALA 63 HA ALA 63 3.746 -7.530 5.276
431 1HB ALA 63 HB1 ALA 63 4.372 -5.291 4.262
432 2HB ALA 63 HB2 ALA 63 3.768 -5.935 2.735
433 3HB ALA 63 HB3 ALA 63 5.121 -6.720 3.550
434 H VAL 64 HN VAL 64 3.222 -5.595 6.491
435 HA VAL 64 HA VAL 64 0.683 -4.339 5.972
436 HB VAL 64 HB VAL 64 0.840 -6.558 7.699
437 1HG1 VAL 64 HG11 VAL 64 1.679 -5.160 9.480
438 2HG1 VAL 64 HG12 VAL 64 0.019 -5.641 9.829
439 3HG1 VAL 64 HG13 VAL 64 0.360 -4.014 9.242
440 1HG2 VAL 64 HG21 VAL 64 -1.600 -5.438 8.207
441 2HG2 VAL 64 HG22 VAL 64 -1.213 -6.463 6.826
442 3HG2 VAL 64 HG23 VAL 64 -1.164 -4.708 6.662
443 HA PRO 65 HA PRO 65 2.677 -0.925 7.959
444 1HB PRO 65 HB2 PRO 65 0.661 0.504 8.955
445 2HB PRO 65 HB1 PRO 65 0.783 0.224 7.210
446 1HG PRO 65 HG2 PRO 65 -0.812 -1.312 9.246
447 2HG PRO 65 HG1 PRO 65 -1.386 -0.575 7.733
448 1HD PRO 65 HD2 PRO 65 -0.756 -3.177 7.875
449 2HD PRO 65 HD1 PRO 65 -0.392 -2.220 6.422
450 H HIS 66 HN HIS 66 2.402 -3.339 9.618
451 HA HIS 66 HA HIS 66 2.675 -2.050 12.237
452 1HB HIS 66 HB2 HIS 66 1.073 -4.502 11.551
453 2HB HIS 66 HB1 HIS 66 1.720 -4.271 13.172
454 HD1 HIS 66 HD1 HIS 66 -1.045 -3.290 10.975
455 HD2 HIS 66 HD2 HIS 66 0.652 -1.943 14.516
456 HE1 HIS 66 HE1 HIS 66 -2.741 -1.740 11.992
457 HE2 HIS 66 HE2 HIS 66 -1.660 -0.875 14.092
458 H CYS 67 HN CYS 67 4.788 -2.567 10.541
459 HA CYS 67 HA CYS 67 6.050 -5.033 10.779
460 1HB CYS 67 HB2 CYS 67 7.475 -2.370 10.737
461 2HB CYS 67 HB1 CYS 67 8.083 -3.917 10.160
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 8.248 10.041 0.838
2 2H ALA 1 HT2 ALA 1 8.547 11.724 0.992
3 3H ALA 1 HT3 ALA 1 9.736 10.590 1.488
4 HA ALA 1 HA ALA 1 8.759 10.677 -1.265
5 1HB ALA 1 HB1 ALA 1 11.208 12.162 -0.398
6 2HB ALA 1 HB2 ALA 1 9.626 12.940 -0.367
7 3HB ALA 1 HB3 ALA 1 10.274 12.319 -1.885
8 H CYS 2 HN CYS 2 9.118 8.432 -1.303
9 HA CYS 2 HA CYS 2 11.925 7.605 -0.973
10 1HB CYS 2 HB2 CYS 2 9.358 6.305 -0.360
11 2HB CYS 2 HB1 CYS 2 10.522 5.264 -1.172
12 H GLN 3 HN GLN 3 9.062 6.831 -2.961
13 HA GLN 3 HA GLN 3 10.628 7.033 -5.376
14 1HB GLN 3 HB2 GLN 3 10.692 4.591 -4.202
15 2HB GLN 3 HB1 GLN 3 9.255 4.423 -5.200
16 1HG GLN 3 HG2 GLN 3 10.429 4.341 -7.101
17 2HG GLN 3 HG1 GLN 3 11.550 5.598 -6.581
18 1HE2 GLN 3 HE21 GLN 3 11.365 2.475 -7.456
19 2HE2 GLN 3 HE22 GLN 3 12.737 1.839 -6.620
20 H ALA 4 HN ALA 4 7.593 5.619 -4.141
21 HA ALA 4 HA ALA 4 5.421 5.900 -4.759
22 1HB ALA 4 HB1 ALA 4 6.081 8.428 -6.199
23 2HB ALA 4 HB2 ALA 4 6.254 8.357 -4.445
24 3HB ALA 4 HB3 ALA 4 4.688 8.038 -5.192
25 H SER 5 HN SER 5 7.261 4.488 -6.507
26 HA SER 5 HA SER 5 5.863 4.875 -9.072
27 1HB SER 5 HB2 SER 5 8.750 4.345 -8.487
28 2HB SER 5 HB1 SER 5 8.049 3.708 -9.975
29 HG SER 5 HG SER 5 8.553 5.652 -10.654
30 H GLN 6 HN GLN 6 7.325 2.551 -6.851
31 HA GLN 6 HA GLN 6 6.442 0.280 -8.302
32 1HB GLN 6 HB2 GLN 6 7.589 0.620 -5.540
33 2HB GLN 6 HB1 GLN 6 7.135 -0.946 -6.197
34 1HG GLN 6 HG2 GLN 6 8.745 0.256 -8.144
35 2HG GLN 6 HG1 GLN 6 9.530 0.577 -6.598
36 1HE2 GLN 6 HE21 GLN 6 11.141 -0.825 -6.461
37 2HE2 GLN 6 HE22 GLN 6 11.015 -2.532 -6.692
38 H LEU 7 HN LEU 7 4.792 2.484 -6.460
39 HA LEU 7 HA LEU 7 2.800 0.490 -5.611
40 1HB LEU 7 HB2 LEU 7 2.907 3.276 -4.522
41 2HB LEU 7 HB1 LEU 7 2.220 1.833 -3.800
42 HG LEU 7 HG LEU 7 5.184 2.053 -4.219
43 1HD1 LEU 7 HD11 LEU 7 3.830 3.939 -2.770
44 2HD1 LEU 7 HD12 LEU 7 5.509 3.464 -2.518
45 3HD1 LEU 7 HD13 LEU 7 4.231 2.737 -1.544
46 1HD2 LEU 7 HD21 LEU 7 3.340 0.199 -2.987
47 2HD2 LEU 7 HD22 LEU 7 4.554 0.755 -1.836
48 3HD2 LEU 7 HD23 LEU 7 5.055 0.008 -3.353
49 H ALA 8 HN ALA 8 3.389 3.196 -7.642
50 HA ALA 8 HA ALA 8 0.980 4.435 -7.925
51 1HB ALA 8 HB1 ALA 8 1.824 5.353 -9.805
52 2HB ALA 8 HB2 ALA 8 2.313 3.793 -10.468
53 3HB ALA 8 HB3 ALA 8 3.309 4.582 -9.246
54 H VAL 9 HN VAL 9 2.007 1.555 -9.669
55 HA VAL 9 HA VAL 9 -0.317 1.096 -11.101
56 HB VAL 9 HB VAL 9 1.778 -0.076 -11.574
57 1HG1 VAL 9 HG11 VAL 9 2.685 -0.539 -9.456
58 2HG1 VAL 9 HG12 VAL 9 2.286 -2.114 -10.140
59 3HG1 VAL 9 HG13 VAL 9 1.233 -1.387 -8.927
60 1HG2 VAL 9 HG21 VAL 9 0.828 -2.076 -12.301
61 2HG2 VAL 9 HG22 VAL 9 -0.555 -0.991 -12.162
62 3HG2 VAL 9 HG23 VAL 9 -0.243 -2.186 -10.904
63 H CYS 10 HN CYS 10 0.345 0.620 -7.766
64 HA CYS 10 HA CYS 10 -1.872 -1.215 -7.350
65 1HB CYS 10 HB2 CYS 10 0.421 -1.100 -6.073
66 2HB CYS 10 HB1 CYS 10 -0.393 0.142 -5.127
67 H ALA 11 HN ALA 11 -1.067 2.145 -6.950
68 HA ALA 11 HA ALA 11 -2.913 3.130 -5.225
69 1HB ALA 11 HB1 ALA 11 -1.165 4.363 -6.657
70 2HB ALA 11 HB2 ALA 11 -2.643 5.217 -6.215
71 3HB ALA 11 HB3 ALA 11 -2.471 4.533 -7.831
72 H SER 12 HN SER 12 -3.498 1.886 -8.402
73 HA SER 12 HA SER 12 -5.985 2.920 -8.989
74 1HB SER 12 HB2 SER 12 -4.494 1.374 -10.405
75 2HB SER 12 HB1 SER 12 -5.283 0.046 -9.554
76 HG SER 12 HG SER 12 -6.743 2.075 -10.877
77 H ALA 13 HN ALA 13 -5.160 0.109 -7.009
78 HA ALA 13 HA ALA 13 -7.891 -0.511 -6.418
79 1HB ALA 13 HB1 ALA 13 -5.693 -2.017 -6.422
80 2HB ALA 13 HB2 ALA 13 -7.108 -2.405 -5.443
81 3HB ALA 13 HB3 ALA 13 -5.727 -1.587 -4.711
82 H ILE 14 HN ILE 14 -5.301 1.284 -4.898
83 HA ILE 14 HA ILE 14 -6.528 1.532 -2.342
84 HB ILE 14 HB ILE 14 -4.329 3.090 -3.696
85 1HG1 ILE 14 HG12 ILE 14 -3.198 1.999 -1.529
86 2HG1 ILE 14 HG11 ILE 14 -4.501 0.835 -1.761
87 1HG2 ILE 14 HG21 ILE 14 -4.100 3.730 -1.057
88 2HG2 ILE 14 HG22 ILE 14 -5.848 3.757 -1.285
89 3HG2 ILE 14 HG23 ILE 14 -4.812 4.768 -2.292
90 1HD1 ILE 14 HD11 ILE 14 -3.441 -0.130 -3.455
91 2HD1 ILE 14 HD12 ILE 14 -2.031 0.828 -3.004
92 3HD1 ILE 14 HD13 ILE 14 -3.138 1.417 -4.243
93 H LEU 15 HN LEU 15 -6.016 3.995 -4.879
94 HA LEU 15 HA LEU 15 -7.847 5.831 -3.739
95 1HB LEU 15 HB2 LEU 15 -6.562 5.640 -6.452
96 2HB LEU 15 HB1 LEU 15 -7.671 6.932 -6.034
97 HG LEU 15 HG LEU 15 -5.196 6.382 -4.415
98 1HD1 LEU 15 HD11 LEU 15 -3.871 7.576 -5.800
99 2HD1 LEU 15 HD12 LEU 15 -5.191 8.604 -6.358
100 3HD1 LEU 15 HD13 LEU 15 -4.997 6.980 -7.019
101 1HD2 LEU 15 HD21 LEU 15 -6.406 9.064 -4.745
102 2HD2 LEU 15 HD22 LEU 15 -5.648 8.325 -3.335
103 3HD2 LEU 15 HD23 LEU 15 -7.298 7.890 -3.778
104 H SER 16 HN SER 16 -8.164 4.534 -7.027
105 HA SER 16 HA SER 16 -10.895 4.931 -7.246
106 1HB SER 16 HB2 SER 16 -8.946 4.042 -8.930
107 2HB SER 16 HB1 SER 16 -9.876 2.564 -8.681
108 HG SER 16 HG SER 16 -11.094 5.026 -9.355
109 H GLY 17 HN GLY 17 -9.446 1.683 -6.954
110 1HA GLY 17 HA2 GLY 17 -10.111 0.200 -5.140
111 2HA GLY 17 HA1 GLY 17 -11.695 0.958 -5.183
112 H ALA 18 HN ALA 18 -10.016 0.143 -8.120
113 HA ALA 18 HA ALA 18 -12.136 -1.313 -9.195
114 1HB ALA 18 HB1 ALA 18 -9.312 -0.858 -9.926
115 2HB ALA 18 HB2 ALA 18 -10.782 -0.608 -10.868
116 3HB ALA 18 HB3 ALA 18 -10.121 -2.232 -10.679
117 H LYS 19 HN LYS 19 -8.991 -2.780 -8.677
118 HA LYS 19 HA LYS 19 -9.864 -4.804 -6.915
119 1HB LYS 19 HB2 LYS 19 -9.521 -6.701 -8.625
120 2HB LYS 19 HB1 LYS 19 -11.054 -5.840 -8.639
121 1HG LYS 19 HG2 LYS 19 -10.581 -5.919 -10.872
122 2HG LYS 19 HG1 LYS 19 -9.864 -4.365 -10.445
123 1HD LYS 19 HD2 LYS 19 -7.776 -6.010 -9.971
124 2HD LYS 19 HD1 LYS 19 -8.580 -6.885 -11.276
125 1HE LYS 19 HE2 LYS 19 -7.297 -5.520 -12.552
126 2HE LYS 19 HE1 LYS 19 -8.661 -4.428 -12.313
127 1HZ LYS 19 HZ1 LYS 19 -7.062 -3.033 -11.628
128 2HZ LYS 19 HZ2 LYS 19 -5.959 -4.267 -11.281
129 3HZ LYS 19 HZ3 LYS 19 -7.171 -3.879 -10.166
130 HA PRO 20 HA PRO 20 -5.465 -4.978 -6.483
131 1HB PRO 20 HB2 PRO 20 -5.224 -7.251 -5.035
132 2HB PRO 20 HB1 PRO 20 -5.861 -5.751 -4.351
133 1HG PRO 20 HG2 PRO 20 -7.341 -8.148 -5.367
134 2HG PRO 20 HG1 PRO 20 -7.631 -7.193 -3.901
135 1HD PRO 20 HD2 PRO 20 -9.085 -6.877 -6.169
136 2HD PRO 20 HD1 PRO 20 -8.754 -5.542 -5.048
137 H SER 21 HN SER 21 -3.754 -6.990 -6.461
138 HA SER 21 HA SER 21 -4.222 -9.011 -8.392
139 1HB SER 21 HB2 SER 21 -3.754 -6.617 -9.577
140 2HB SER 21 HB1 SER 21 -2.102 -7.207 -9.396
141 HG SER 21 HG SER 21 -2.465 -8.645 -10.888
142 H GLY 22 HN GLY 22 -1.574 -9.377 -9.241
143 1HA GLY 22 HA2 GLY 22 -0.340 -10.135 -6.684
144 2HA GLY 22 HA1 GLY 22 -0.024 -10.899 -8.234
145 H GLU 23 HN GLU 23 0.200 -8.233 -9.556
146 HA GLU 23 HA GLU 23 2.948 -7.933 -9.491
147 1HB GLU 23 HB2 GLU 23 1.110 -7.095 -11.159
148 2HB GLU 23 HB1 GLU 23 1.147 -5.637 -10.166
149 1HG GLU 23 HG2 GLU 23 3.798 -6.161 -10.637
150 2HG GLU 23 HG1 GLU 23 3.014 -6.595 -12.153
151 H CYS 24 HN CYS 24 0.446 -5.943 -7.926
152 HA CYS 24 HA CYS 24 2.058 -4.058 -6.741
153 1HB CYS 24 HB2 CYS 24 -0.351 -3.842 -6.706
154 2HB CYS 24 HB1 CYS 24 -0.501 -5.276 -5.697
155 H CYS 25 HN CYS 25 1.584 -7.367 -5.863
156 HA CYS 25 HA CYS 25 2.554 -7.215 -3.205
157 1HB CYS 25 HB2 CYS 25 2.602 -9.584 -5.085
158 2HB CYS 25 HB1 CYS 25 2.779 -9.643 -3.336
159 H GLY 26 HN GLY 26 4.136 -8.507 -6.132
160 1HA GLY 26 HA2 GLY 26 6.679 -8.798 -5.043
161 2HA GLY 26 HA1 GLY 26 6.345 -8.562 -6.751
162 H ASN 27 HN ASN 27 5.115 -5.911 -6.252
163 HA ASN 27 HA ASN 27 7.460 -4.378 -6.501
164 1HB ASN 27 HB2 ASN 27 4.579 -3.548 -6.203
165 2HB ASN 27 HB1 ASN 27 5.893 -2.431 -6.558
166 1HD2 ASN 27 HD21 ASN 27 7.293 -3.220 -8.465
167 2HD2 ASN 27 HD22 ASN 27 6.412 -3.737 -9.858
168 H LEU 28 HN LEU 28 4.835 -3.974 -4.196
169 HA LEU 28 HA LEU 28 6.226 -2.372 -2.425
170 1HB LEU 28 HB2 LEU 28 4.525 -2.918 -0.767
171 2HB LEU 28 HB1 LEU 28 3.816 -2.568 -2.331
172 HG LEU 28 HG LEU 28 3.996 -5.232 -2.535
173 1HD1 LEU 28 HD11 LEU 28 4.963 -5.242 -0.169
174 2HD1 LEU 28 HD12 LEU 28 3.649 -6.360 -0.525
175 3HD1 LEU 28 HD13 LEU 28 3.323 -4.874 0.363
176 1HD2 LEU 28 HD21 LEU 28 1.740 -5.166 -2.512
177 2HD2 LEU 28 HD22 LEU 28 2.003 -3.424 -2.423
178 3HD2 LEU 28 HD23 LEU 28 1.673 -4.343 -0.954
179 H ARG 29 HN ARG 29 6.267 -5.806 -2.837
180 HA ARG 29 HA ARG 29 7.323 -6.547 -0.372
181 1HB ARG 29 HB2 ARG 29 7.023 -7.776 -3.010
182 2HB ARG 29 HB1 ARG 29 8.436 -8.345 -2.138
183 1HG ARG 29 HG2 ARG 29 6.252 -9.638 -1.878
184 2HG ARG 29 HG1 ARG 29 7.169 -9.257 -0.421
185 1HD ARG 29 HD2 ARG 29 5.163 -7.267 -1.248
186 2HD ARG 29 HD1 ARG 29 4.525 -8.815 -0.701
187 HE ARG 29 HE ARG 29 5.623 -6.777 0.924
188 1HH1 ARG 29 HH11 ARG 29 5.515 -10.250 0.600
189 2HH1 ARG 29 HH12 ARG 29 5.746 -10.541 2.292
190 1HH2 ARG 29 HH21 ARG 29 5.927 -7.157 3.150
191 2HH2 ARG 29 HH22 ARG 29 5.980 -8.784 3.740
192 H ALA 30 HN ALA 30 8.880 -5.696 -3.401
193 HA ALA 30 HA ALA 30 11.519 -6.082 -2.690
194 1HB ALA 30 HB1 ALA 30 10.527 -3.824 -4.419
195 2HB ALA 30 HB2 ALA 30 10.676 -5.493 -4.969
196 3HB ALA 30 HB3 ALA 30 12.111 -4.598 -4.470
197 H GLN 31 HN GLN 31 9.274 -3.692 -1.669
198 HA GLN 31 HA GLN 31 11.256 -1.849 -0.667
199 1HB GLN 31 HB2 GLN 31 8.335 -1.862 0.059
200 2HB GLN 31 HB1 GLN 31 9.447 -0.501 0.039
201 1HG GLN 31 HG2 GLN 31 9.601 -0.955 -2.491
202 2HG GLN 31 HG1 GLN 31 8.122 -1.885 -2.252
203 1HE2 GLN 31 HE21 GLN 31 9.536 1.230 -2.450
204 2HE2 GLN 31 HE22 GLN 31 8.073 2.150 -2.290
205 H GLN 32 HN GLN 32 8.581 -3.460 1.040
206 HA GLN 32 HA GLN 32 8.396 -4.173 3.188
207 1HB GLN 32 HB2 GLN 32 10.189 -5.722 1.830
208 2HB GLN 32 HB1 GLN 32 11.098 -5.299 3.278
209 1HG GLN 32 HG2 GLN 32 10.022 -6.888 4.375
210 2HG GLN 32 HG1 GLN 32 8.519 -5.998 4.132
211 1HE2 GLN 32 HE21 GLN 32 8.250 -6.247 1.395
212 2HE2 GLN 32 HE22 GLN 32 7.945 -7.901 1.004
213 H GLY 33 HN GLY 33 9.843 -1.554 2.670
214 1HA GLY 33 HA2 GLY 33 10.882 -1.256 5.405
215 2HA GLY 33 HA1 GLY 33 11.825 -0.650 4.049
216 H CYS 34 HN CYS 34 10.891 1.043 2.729
217 HA CYS 34 HA CYS 34 9.775 3.121 4.194
218 1HB CYS 34 HB2 CYS 34 11.042 3.111 1.913
219 2HB CYS 34 HB1 CYS 34 9.415 2.973 1.259
220 H PHE 35 HN PHE 35 8.374 0.667 2.197
221 HA PHE 35 HA PHE 35 5.751 1.672 2.035
222 1HB PHE 35 HB2 PHE 35 5.972 0.008 0.501
223 2HB PHE 35 HB1 PHE 35 7.135 -0.869 1.485
224 HD1 PHE 35 HD1 PHE 35 6.453 -3.035 1.701
225 HD2 PHE 35 HD2 PHE 35 3.559 0.066 2.050
226 HE1 PHE 35 HE1 PHE 35 4.739 -4.706 2.250
227 HE2 PHE 35 HE2 PHE 35 1.837 -1.603 2.605
228 HZ PHE 35 HZ PHE 35 2.425 -3.992 2.706
229 H CYS 36 HN CYS 36 7.369 -0.400 4.330
230 HA CYS 36 HA CYS 36 5.092 -1.048 5.889
231 1HB CYS 36 HB2 CYS 36 7.550 -2.051 5.838
232 2HB CYS 36 HB1 CYS 36 7.795 -0.901 7.148
233 H GLN 37 HN GLN 37 7.729 1.273 6.481
234 HA GLN 37 HA GLN 37 6.589 2.439 8.743
235 1HB GLN 37 HB2 GLN 37 8.218 4.220 8.458
236 2HB GLN 37 HB1 GLN 37 8.971 2.658 8.164
237 1HG GLN 37 HG2 GLN 37 9.816 3.937 6.454
238 2HG GLN 37 HG1 GLN 37 8.444 3.146 5.680
239 1HE2 GLN 37 HE21 GLN 37 8.000 4.658 4.163
240 2HE2 GLN 37 HE22 GLN 37 7.480 6.266 4.521
241 H TYR 38 HN TYR 38 6.007 2.865 5.382
242 HA TYR 38 HA TYR 38 4.962 5.431 5.258
243 1HB TYR 38 HB2 TYR 38 4.891 3.040 3.633
244 2HB TYR 38 HB1 TYR 38 3.331 3.856 3.592
245 HD1 TYR 38 HD1 TYR 38 3.707 6.586 3.435
246 HD2 TYR 38 HD2 TYR 38 6.280 3.576 1.882
247 HE1 TYR 38 HE1 TYR 38 4.586 8.193 1.796
248 HE2 TYR 38 HE2 TYR 38 7.167 5.174 0.238
249 HH TYR 38 HH TYR 38 7.374 7.563 -0.081
250 H ALA 39 HN ALA 39 3.698 2.601 6.772
251 HA ALA 39 HA ALA 39 0.979 3.085 6.782
252 1HB ALA 39 HB1 ALA 39 0.861 1.350 8.198
253 2HB ALA 39 HB2 ALA 39 2.037 2.051 9.311
254 3HB ALA 39 HB3 ALA 39 2.587 1.196 7.870
255 H LYS 40 HN LYS 40 3.479 4.798 8.394
256 HA LYS 40 HA LYS 40 1.486 6.246 10.008
257 1HB LYS 40 HB2 LYS 40 3.875 5.044 10.804
258 2HB LYS 40 HB1 LYS 40 4.244 6.761 10.750
259 1HG LYS 40 HG2 LYS 40 2.028 7.000 12.095
260 2HG LYS 40 HG1 LYS 40 2.296 5.296 12.467
261 1HD LYS 40 HD2 LYS 40 4.461 7.340 12.846
262 2HD LYS 40 HD1 LYS 40 3.238 7.057 14.087
263 1HE LYS 40 HE2 LYS 40 4.695 4.725 12.935
264 2HE LYS 40 HE1 LYS 40 5.522 5.752 14.105
265 1HZ LYS 40 HZ1 LYS 40 3.200 5.366 15.341
266 2HZ LYS 40 HZ2 LYS 40 4.546 4.366 15.561
267 3HZ LYS 40 HZ3 LYS 40 3.317 3.906 14.493
268 H ASP 41 HN ASP 41 2.600 6.575 7.140
269 HA ASP 41 HA ASP 41 3.897 9.141 7.208
270 1HB ASP 41 HB2 ASP 41 4.480 7.606 5.441
271 2HB ASP 41 HB1 ASP 41 2.792 7.470 4.944
272 HA PRO 42 HA PRO 42 -0.109 11.204 7.427
273 1HB PRO 42 HB2 PRO 42 0.825 13.677 7.922
274 2HB PRO 42 HB1 PRO 42 0.810 12.417 9.162
275 1HG PRO 42 HG2 PRO 42 3.076 13.363 7.449
276 2HG PRO 42 HG1 PRO 42 3.066 12.983 9.182
277 1HD PRO 42 HD2 PRO 42 3.982 11.264 7.268
278 2HD PRO 42 HD1 PRO 42 3.292 10.730 8.814
279 H THR 43 HN THR 43 2.561 11.920 5.307
280 HA THR 43 HA THR 43 1.563 14.009 3.793
281 HB THR 43 HB THR 43 2.830 12.177 2.021
282 HG1 THR 43 HG1 THR 43 4.253 12.476 4.445
283 1HG2 THR 43 HG21 THR 43 3.510 14.260 1.547
284 2HG2 THR 43 HG22 THR 43 4.808 13.858 2.672
285 3HG2 THR 43 HG23 THR 43 3.417 14.791 3.226
286 H TYR 44 HN TYR 44 1.026 10.525 3.329
287 HA TYR 44 HA TYR 44 -0.912 11.069 1.228
288 1HB TYR 44 HB2 TYR 44 0.224 8.518 2.373
289 2HB TYR 44 HB1 TYR 44 -1.080 8.530 1.190
290 HD1 TYR 44 HD1 TYR 44 -0.650 9.535 -1.080
291 HD2 TYR 44 HD2 TYR 44 2.474 8.783 1.708
292 HE1 TYR 44 HE1 TYR 44 0.998 9.668 -2.900
293 HE2 TYR 44 HE2 TYR 44 4.131 8.915 -0.104
294 HH TYR 44 HH TYR 44 3.231 8.961 -3.418
295 H GLY 45 HN GLY 45 -1.083 8.761 3.926
296 1HA GLY 45 HA2 GLY 45 -2.678 8.495 5.574
297 2HA GLY 45 HA1 GLY 45 -3.346 10.054 5.120
298 H GLN 46 HN GLN 46 -4.247 9.796 2.636
299 HA GLN 46 HA GLN 46 -6.574 8.228 2.937
300 1HB GLN 46 HB2 GLN 46 -7.134 8.955 0.682
301 2HB GLN 46 HB1 GLN 46 -6.520 10.306 1.624
302 1HG GLN 46 HG2 GLN 46 -4.239 9.631 0.532
303 2HG GLN 46 HG1 GLN 46 -5.282 8.874 -0.670
304 1HE2 GLN 46 HE21 GLN 46 -3.646 11.610 0.066
305 2HE2 GLN 46 HE22 GLN 46 -4.544 12.756 -0.880
306 H TYR 47 HN TYR 47 -3.459 7.597 1.594
307 HA TYR 47 HA TYR 47 -4.254 5.407 -0.057
308 1HB TYR 47 HB2 TYR 47 -2.112 6.909 -0.161
309 2HB TYR 47 HB1 TYR 47 -1.495 5.708 0.968
310 HD1 TYR 47 HD1 TYR 47 -0.997 3.458 0.264
311 HD2 TYR 47 HD2 TYR 47 -2.643 6.286 -2.451
312 HE1 TYR 47 HE1 TYR 47 -0.432 1.971 -1.613
313 HE2 TYR 47 HE2 TYR 47 -2.086 4.807 -4.339
314 HH TYR 47 HH TYR 47 -0.009 2.639 -4.426
315 H ILE 48 HN ILE 48 -2.499 5.635 3.024
316 HA ILE 48 HA ILE 48 -2.489 2.840 3.485
317 HB ILE 48 HB ILE 48 -2.161 5.046 5.519
318 1HG1 ILE 48 HG12 ILE 48 -0.590 5.267 3.622
319 2HG1 ILE 48 HG11 ILE 48 0.236 4.850 5.120
320 1HG2 ILE 48 HG21 ILE 48 -2.453 2.367 5.966
321 2HG2 ILE 48 HG22 ILE 48 -1.620 3.492 7.038
322 3HG2 ILE 48 HG23 ILE 48 -0.701 2.538 5.875
323 1HD1 ILE 48 HD11 ILE 48 1.116 3.622 3.202
324 2HD1 ILE 48 HD12 ILE 48 -0.477 2.917 2.927
325 3HD1 ILE 48 HD13 ILE 48 0.411 2.541 4.404
326 H ARG 49 HN ARG 49 -4.409 5.486 4.911
327 HA ARG 49 HA ARG 49 -6.095 3.627 6.317
328 1HB ARG 49 HB2 ARG 49 -6.479 6.599 5.948
329 2HB ARG 49 HB1 ARG 49 -7.268 5.580 7.144
330 1HG ARG 49 HG2 ARG 49 -5.145 5.176 8.242
331 2HG ARG 49 HG1 ARG 49 -4.309 6.125 7.010
332 1HD ARG 49 HD2 ARG 49 -6.516 7.271 8.698
333 2HD ARG 49 HD1 ARG 49 -4.832 7.283 9.219
334 HE ARG 49 HE ARG 49 -5.248 8.389 6.597
335 1HH1 ARG 49 HH11 ARG 49 -5.211 9.068 10.020
336 2HH1 ARG 49 HH12 ARG 49 -4.904 10.759 9.808
337 1HH2 ARG 49 HH21 ARG 49 -4.844 10.613 6.317
338 2HH2 ARG 49 HH22 ARG 49 -4.696 11.636 7.706
339 H SER 50 HN SER 50 -6.052 3.380 3.436
340 HA SER 50 HA SER 50 -8.569 4.360 2.462
341 1HB SER 50 HB2 SER 50 -6.311 3.786 1.188
342 2HB SER 50 HB1 SER 50 -7.108 2.221 1.057
343 HG SER 50 HG SER 50 -8.161 3.074 -0.537
344 HA PRO 51 HA PRO 51 -11.087 0.987 3.792
345 1HB PRO 51 HB2 PRO 51 -12.930 0.906 1.786
346 2HB PRO 51 HB1 PRO 51 -12.927 2.140 3.050
347 1HG PRO 51 HG2 PRO 51 -11.881 2.293 0.251
348 2HG PRO 51 HG1 PRO 51 -12.806 3.496 1.168
349 1HD PRO 51 HD2 PRO 51 -10.130 3.671 0.848
350 2HD PRO 51 HD1 PRO 51 -10.946 4.233 2.321
351 H HIS 52 HN HIS 52 -10.291 0.974 0.326
352 HA HIS 52 HA HIS 52 -10.516 -1.891 0.145
353 1HB HIS 52 HB2 HIS 52 -9.188 -0.228 -1.960
354 2HB HIS 52 HB1 HIS 52 -10.215 -1.645 -2.144
355 HD1 HIS 52 HD1 HIS 52 -12.846 -1.150 -1.468
356 HD2 HIS 52 HD2 HIS 52 -10.461 2.107 -2.456
357 HE1 HIS 52 HE1 HIS 52 -14.444 0.709 -2.028
358 HE2 HIS 52 HE2 HIS 52 -12.979 2.642 -2.708
359 H ALA 53 HN ALA 53 -8.049 0.312 1.005
360 HA ALA 53 HA ALA 53 -5.750 -0.923 0.118
361 1HB ALA 53 HB1 ALA 53 -6.367 0.783 2.479
362 2HB ALA 53 HB2 ALA 53 -5.370 1.139 1.068
363 3HB ALA 53 HB3 ALA 53 -4.770 0.052 2.320
364 H ARG 54 HN ARG 54 -7.454 -1.424 3.151
365 HA ARG 54 HA ARG 54 -5.826 -3.349 4.264
366 1HB ARG 54 HB2 ARG 54 -8.658 -2.560 4.592
367 2HB ARG 54 HB1 ARG 54 -8.207 -4.139 5.222
368 1HG ARG 54 HG2 ARG 54 -6.485 -1.831 5.927
369 2HG ARG 54 HG1 ARG 54 -8.073 -1.947 6.690
370 1HD ARG 54 HD2 ARG 54 -6.526 -3.048 8.120
371 2HD ARG 54 HD1 ARG 54 -7.488 -4.297 7.330
372 HE ARG 54 HE ARG 54 -4.983 -3.662 6.031
373 1HH1 ARG 54 HH11 ARG 54 -6.622 -5.706 8.341
374 2HH1 ARG 54 HH12 ARG 54 -5.452 -6.977 8.231
375 1HH2 ARG 54 HH21 ARG 54 -3.446 -5.334 5.889
376 2HH2 ARG 54 HH22 ARG 54 -3.650 -6.766 6.841
377 H ASP 55 HN ASP 55 -8.615 -3.777 2.175
378 HA ASP 55 HA ASP 55 -8.518 -6.589 2.099
379 1HB ASP 55 HB2 ASP 55 -10.415 -4.948 1.388
380 2HB ASP 55 HB1 ASP 55 -9.593 -5.013 -0.168
381 H THR 56 HN THR 56 -7.180 -4.102 0.049
382 HA THR 56 HA THR 56 -6.180 -5.675 -1.994
383 HB THR 56 HB THR 56 -5.045 -3.149 -0.879
384 HG1 THR 56 HG1 THR 56 -7.207 -2.980 -1.610
385 1HG2 THR 56 HG21 THR 56 -3.544 -4.470 -2.447
386 2HG2 THR 56 HG22 THR 56 -3.872 -2.785 -2.854
387 3HG2 THR 56 HG23 THR 56 -4.726 -4.079 -3.696
388 H LEU 57 HN LEU 57 -4.849 -4.902 1.153
389 HA LEU 57 HA LEU 57 -2.286 -5.904 0.792
390 1HB LEU 57 HB2 LEU 57 -3.951 -5.065 2.991
391 2HB LEU 57 HB1 LEU 57 -2.889 -6.388 3.444
392 HG LEU 57 HG LEU 57 -1.360 -4.479 2.004
393 1HD1 LEU 57 HD11 LEU 57 -2.647 -3.209 4.390
394 2HD1 LEU 57 HD12 LEU 57 -3.294 -2.985 2.765
395 3HD1 LEU 57 HD13 LEU 57 -1.652 -2.464 3.139
396 1HD2 LEU 57 HD21 LEU 57 0.113 -4.890 3.649
397 2HD2 LEU 57 HD22 LEU 57 -1.022 -6.163 4.094
398 3HD2 LEU 57 HD23 LEU 57 -1.076 -4.607 4.920
399 H THR 58 HN THR 58 -5.021 -7.434 2.391
400 HA THR 58 HA THR 58 -3.873 -9.960 2.655
401 HB THR 58 HB THR 58 -6.830 -9.536 2.285
402 HG1 THR 58 HG1 THR 58 -5.193 -8.747 4.438
403 1HG2 THR 58 HG21 THR 58 -5.248 -11.704 3.203
404 2HG2 THR 58 HG22 THR 58 -7.002 -11.590 3.066
405 3HG2 THR 58 HG23 THR 58 -6.199 -11.088 4.554
406 H SER 59 HN SER 59 -5.907 -8.584 0.110
407 HA SER 59 HA SER 59 -6.258 -10.796 -1.490
408 1HB SER 59 HB2 SER 59 -7.067 -8.324 -1.723
409 2HB SER 59 HB1 SER 59 -5.616 -8.171 -2.700
410 HG SER 59 HG SER 59 -6.405 -9.603 -4.147
411 H CYS 60 HN CYS 60 -3.510 -8.811 -0.919
412 HA CYS 60 HA CYS 60 -1.919 -9.716 -3.097
413 1HB CYS 60 HB2 CYS 60 -1.834 -7.649 -1.275
414 2HB CYS 60 HB1 CYS 60 -0.545 -8.697 -0.721
415 H GLY 61 HN GLY 61 -2.319 -10.559 0.315
416 1HA GLY 61 HA2 GLY 61 -1.818 -12.515 1.417
417 2HA GLY 61 HA1 GLY 61 -1.373 -13.215 -0.129
418 H LEU 62 HN LEU 62 -0.072 -10.589 1.929
419 HA LEU 62 HA LEU 62 2.468 -12.047 1.970
420 1HB LEU 62 HB2 LEU 62 3.388 -9.499 1.921
421 2HB LEU 62 HB1 LEU 62 3.336 -10.571 0.541
422 HG LEU 62 HG LEU 62 0.817 -9.187 0.741
423 1HD1 LEU 62 HD11 LEU 62 3.294 -7.515 1.015
424 2HD1 LEU 62 HD12 LEU 62 1.755 -7.378 1.870
425 3HD1 LEU 62 HD13 LEU 62 1.866 -6.910 0.175
426 1HD2 LEU 62 HD21 LEU 62 2.176 -8.219 -1.456
427 2HD2 LEU 62 HD22 LEU 62 1.147 -9.651 -1.415
428 3HD2 LEU 62 HD23 LEU 62 2.890 -9.811 -1.205
429 H ALA 63 HN ALA 63 2.050 -8.774 3.179
430 HA ALA 63 HA ALA 63 1.617 -9.706 5.874
431 1HB ALA 63 HB1 ALA 63 3.646 -8.264 6.602
432 2HB ALA 63 HB2 ALA 63 4.198 -8.526 4.948
433 3HB ALA 63 HB3 ALA 63 3.915 -9.904 6.012
434 H VAL 64 HN VAL 64 1.841 -7.647 7.395
435 HA VAL 64 HA VAL 64 0.304 -5.528 6.106
436 HB VAL 64 HB VAL 64 -0.466 -7.050 8.215
437 1HG1 VAL 64 HG11 VAL 64 1.409 -5.863 9.532
438 2HG1 VAL 64 HG12 VAL 64 -0.182 -6.034 10.274
439 3HG1 VAL 64 HG13 VAL 64 0.297 -4.495 9.560
440 1HG2 VAL 64 HG21 VAL 64 -1.581 -5.125 6.751
441 2HG2 VAL 64 HG22 VAL 64 -1.429 -4.254 8.277
442 3HG2 VAL 64 HG23 VAL 64 -2.331 -5.768 8.211
443 HA PRO 65 HA PRO 65 3.630 -2.753 7.062
444 1HB PRO 65 HB2 PRO 65 2.474 -0.400 6.679
445 2HB PRO 65 HB1 PRO 65 2.585 -1.556 5.339
446 1HG PRO 65 HG2 PRO 65 0.287 -1.095 7.226
447 2HG PRO 65 HG1 PRO 65 0.262 -1.084 5.448
448 1HD PRO 65 HD2 PRO 65 -0.434 -3.260 6.881
449 2HD PRO 65 HD1 PRO 65 0.403 -3.396 5.320
450 H HIS 66 HN HIS 66 2.070 -3.715 9.368
451 HA HIS 66 HA HIS 66 2.136 -1.356 11.111
452 1HB HIS 66 HB2 HIS 66 0.751 -4.011 11.333
453 2HB HIS 66 HB1 HIS 66 1.033 -3.032 12.764
454 HD1 HIS 66 HD1 HIS 66 -0.676 -2.783 9.395
455 HD2 HIS 66 HD2 HIS 66 -0.840 -1.107 13.189
456 HE1 HIS 66 HE1 HIS 66 -2.702 -1.308 9.394
457 HE2 HIS 66 HE2 HIS 66 -2.749 -0.249 11.675
458 H CYS 67 HN CYS 67 4.534 -2.674 10.176
459 HA CYS 67 HA CYS 67 5.605 -4.366 12.182
460 1HB CYS 67 HB2 CYS 67 7.808 -3.791 11.118
461 2HB CYS 67 HB1 CYS 67 6.594 -4.403 10.000
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 17.040 6.878 0.292
2 2H ALA 1 HT2 ALA 1 15.674 7.822 -0.144
3 3H ALA 1 HT3 ALA 1 16.402 6.778 -1.296
4 HA ALA 1 HA ALA 1 15.637 4.903 -0.298
5 1HB ALA 1 HB1 ALA 1 14.430 5.162 1.988
6 2HB ALA 1 HB2 ALA 1 15.372 6.648 2.112
7 3HB ALA 1 HB3 ALA 1 16.191 5.096 1.934
8 H CYS 2 HN CYS 2 13.384 4.152 -0.006
9 HA CYS 2 HA CYS 2 11.202 4.140 -0.645
10 1HB CYS 2 HB2 CYS 2 11.163 7.104 -0.092
11 2HB CYS 2 HB1 CYS 2 9.826 5.965 0.011
12 H GLN 3 HN GLN 3 11.270 3.688 -2.789
13 HA GLN 3 HA GLN 3 12.129 5.458 -4.804
14 1HB GLN 3 HB2 GLN 3 11.551 2.816 -4.731
15 2HB GLN 3 HB1 GLN 3 10.111 3.422 -5.539
16 1HG GLN 3 HG2 GLN 3 11.277 3.285 -7.419
17 2HG GLN 3 HG1 GLN 3 12.152 4.709 -6.857
18 1HE2 GLN 3 HE21 GLN 3 13.905 4.026 -5.147
19 2HE2 GLN 3 HE22 GLN 3 14.948 2.754 -5.675
20 H ALA 4 HN ALA 4 8.973 4.841 -3.380
21 HA ALA 4 HA ALA 4 6.972 5.912 -3.548
22 1HB ALA 4 HB1 ALA 4 8.377 7.826 -2.856
23 2HB ALA 4 HB2 ALA 4 7.002 8.303 -3.853
24 3HB ALA 4 HB3 ALA 4 8.618 8.228 -4.556
25 H SER 5 HN SER 5 8.174 4.501 -5.931
26 HA SER 5 HA SER 5 6.447 5.729 -7.978
27 1HB SER 5 HB2 SER 5 7.995 5.040 -9.698
28 2HB SER 5 HB1 SER 5 8.893 5.947 -8.480
29 HG SER 5 HG SER 5 9.349 3.775 -7.563
30 H GLN 6 HN GLN 6 7.668 2.765 -6.543
31 HA GLN 6 HA GLN 6 6.028 1.109 -8.208
32 1HB GLN 6 HB2 GLN 6 7.791 0.408 -5.863
33 2HB GLN 6 HB1 GLN 6 6.993 -0.757 -6.913
34 1HG GLN 6 HG2 GLN 6 8.557 1.138 -8.432
35 2HG GLN 6 HG1 GLN 6 9.534 0.311 -7.220
36 1HE2 GLN 6 HE21 GLN 6 7.458 -0.117 -10.002
37 2HE2 GLN 6 HE22 GLN 6 8.014 -1.699 -10.416
38 H LEU 7 HN LEU 7 4.374 2.820 -6.935
39 HA LEU 7 HA LEU 7 2.815 1.024 -5.278
40 1HB LEU 7 HB2 LEU 7 3.599 3.752 -4.253
41 2HB LEU 7 HB1 LEU 7 2.540 2.606 -3.453
42 HG LEU 7 HG LEU 7 5.461 2.091 -4.017
43 1HD1 LEU 7 HD11 LEU 7 4.555 3.943 -2.263
44 2HD1 LEU 7 HD12 LEU 7 6.043 3.019 -2.058
45 3HD1 LEU 7 HD13 LEU 7 4.564 2.498 -1.251
46 1HD2 LEU 7 HD21 LEU 7 3.633 0.218 -3.638
47 2HD2 LEU 7 HD22 LEU 7 3.867 0.667 -1.949
48 3HD2 LEU 7 HD23 LEU 7 5.235 0.104 -2.909
49 H ALA 8 HN ALA 8 3.109 4.209 -6.793
50 HA ALA 8 HA ALA 8 0.576 5.180 -6.648
51 1HB ALA 8 HB1 ALA 8 0.989 6.349 -8.743
52 2HB ALA 8 HB2 ALA 8 2.338 5.266 -9.085
53 3HB ALA 8 HB3 ALA 8 2.419 6.371 -7.713
54 H VAL 9 HN VAL 9 1.746 2.796 -8.943
55 HA VAL 9 HA VAL 9 -0.504 2.532 -10.525
56 HB VAL 9 HB VAL 9 1.641 1.476 -11.072
57 1HG1 VAL 9 HG11 VAL 9 0.952 -0.397 -8.813
58 2HG1 VAL 9 HG12 VAL 9 2.328 0.701 -8.902
59 3HG1 VAL 9 HG13 VAL 9 2.230 -0.681 -9.994
60 1HG2 VAL 9 HG21 VAL 9 -0.814 0.568 -11.701
61 2HG2 VAL 9 HG22 VAL 9 -0.132 -0.878 -10.957
62 3HG2 VAL 9 HG23 VAL 9 0.677 -0.130 -12.333
63 H CYS 10 HN CYS 10 0.059 1.475 -7.302
64 HA CYS 10 HA CYS 10 -2.081 -0.461 -7.238
65 1HB CYS 10 HB2 CYS 10 0.101 -0.309 -5.783
66 2HB CYS 10 HB1 CYS 10 -0.878 0.759 -4.783
67 H ALA 11 HN ALA 11 -1.592 2.891 -6.513
68 HA ALA 11 HA ALA 11 -3.581 3.602 -4.820
69 1HB ALA 11 HB1 ALA 11 -3.600 5.773 -5.830
70 2HB ALA 11 HB2 ALA 11 -2.964 5.125 -7.342
71 3HB ALA 11 HB3 ALA 11 -1.953 5.145 -5.897
72 H SER 12 HN SER 12 -3.937 2.543 -8.097
73 HA SER 12 HA SER 12 -6.471 3.398 -8.742
74 1HB SER 12 HB2 SER 12 -5.471 0.625 -9.388
75 2HB SER 12 HB1 SER 12 -6.555 1.637 -10.342
76 HG SER 12 HG SER 12 -3.784 1.745 -10.075
77 H ALA 13 HN ALA 13 -5.495 0.780 -6.630
78 HA ALA 13 HA ALA 13 -8.218 -0.104 -6.242
79 1HB ALA 13 HB1 ALA 13 -5.917 -1.481 -6.255
80 2HB ALA 13 HB2 ALA 13 -7.364 -2.018 -5.403
81 3HB ALA 13 HB3 ALA 13 -6.082 -1.186 -4.524
82 H ILE 14 HN ILE 14 -5.762 1.759 -4.596
83 HA ILE 14 HA ILE 14 -7.083 1.810 -2.059
84 HB ILE 14 HB ILE 14 -4.890 3.544 -3.203
85 1HG1 ILE 14 HG12 ILE 14 -3.628 2.267 -1.315
86 2HG1 ILE 14 HG11 ILE 14 -4.974 1.133 -1.412
87 1HG2 ILE 14 HG21 ILE 14 -6.423 3.774 -0.695
88 2HG2 ILE 14 HG22 ILE 14 -5.555 5.003 -1.614
89 3HG2 ILE 14 HG23 ILE 14 -4.671 3.912 -0.547
90 1HD1 ILE 14 HD11 ILE 14 -2.707 0.957 -2.871
91 2HD1 ILE 14 HD12 ILE 14 -3.762 1.820 -3.991
92 3HD1 ILE 14 HD13 ILE 14 -4.255 0.256 -3.342
93 H LEU 15 HN LEU 15 -6.438 4.472 -4.349
94 HA LEU 15 HA LEU 15 -8.363 6.197 -3.219
95 1HB LEU 15 HB2 LEU 15 -7.037 6.205 -5.927
96 2HB LEU 15 HB1 LEU 15 -8.068 7.499 -5.345
97 HG LEU 15 HG LEU 15 -5.540 6.627 -3.951
98 1HD1 LEU 15 HD11 LEU 15 -5.998 8.483 -6.209
99 2HD1 LEU 15 HD12 LEU 15 -4.580 7.516 -5.801
100 3HD1 LEU 15 HD13 LEU 15 -4.903 9.018 -4.935
101 1HD2 LEU 15 HD21 LEU 15 -7.612 8.022 -2.927
102 2HD2 LEU 15 HD22 LEU 15 -6.652 9.331 -3.617
103 3HD2 LEU 15 HD23 LEU 15 -5.933 8.241 -2.431
104 H SER 16 HN SER 16 -8.487 4.989 -6.563
105 HA SER 16 HA SER 16 -11.196 5.424 -6.947
106 1HB SER 16 HB2 SER 16 -9.168 4.555 -8.529
107 2HB SER 16 HB1 SER 16 -10.088 3.063 -8.339
108 HG SER 16 HG SER 16 -10.868 5.505 -9.493
109 H GLY 17 HN GLY 17 -9.795 2.160 -6.596
110 1HA GLY 17 HA2 GLY 17 -10.583 0.661 -4.851
111 2HA GLY 17 HA1 GLY 17 -12.153 1.439 -4.973
112 H ALA 18 HN ALA 18 -10.359 0.669 -7.846
113 HA ALA 18 HA ALA 18 -12.447 -0.816 -8.980
114 1HB ALA 18 HB1 ALA 18 -11.063 0.101 -10.567
115 2HB ALA 18 HB2 ALA 18 -10.515 -1.576 -10.564
116 3HB ALA 18 HB3 ALA 18 -9.596 -0.347 -9.695
117 H LYS 19 HN LYS 19 -9.237 -2.144 -8.485
118 HA LYS 19 HA LYS 19 -10.002 -4.258 -6.786
119 1HB LYS 19 HB2 LYS 19 -9.610 -6.094 -8.540
120 2HB LYS 19 HB1 LYS 19 -11.170 -5.283 -8.540
121 1HG LYS 19 HG2 LYS 19 -9.431 -3.839 -10.256
122 2HG LYS 19 HG1 LYS 19 -9.311 -5.552 -10.661
123 1HD LYS 19 HD2 LYS 19 -11.705 -5.696 -10.943
124 2HD LYS 19 HD1 LYS 19 -11.903 -4.030 -10.397
125 1HE LYS 19 HE2 LYS 19 -11.057 -3.147 -12.350
126 2HE LYS 19 HE1 LYS 19 -10.136 -4.601 -12.731
127 1HZ LYS 19 HZ1 LYS 19 -13.086 -4.643 -12.738
128 2HZ LYS 19 HZ2 LYS 19 -12.008 -5.673 -13.537
129 3HZ LYS 19 HZ3 LYS 19 -12.228 -4.089 -14.088
130 HA PRO 20 HA PRO 20 -5.647 -4.550 -6.253
131 1HB PRO 20 HB2 PRO 20 -5.285 -7.240 -5.858
132 2HB PRO 20 HB1 PRO 20 -5.910 -6.137 -4.628
133 1HG PRO 20 HG2 PRO 20 -7.399 -7.983 -6.452
134 2HG PRO 20 HG1 PRO 20 -7.669 -7.649 -4.731
135 1HD PRO 20 HD2 PRO 20 -9.197 -6.541 -6.647
136 2HD PRO 20 HD1 PRO 20 -8.776 -5.661 -5.163
137 H SER 21 HN SER 21 -3.814 -6.402 -6.912
138 HA SER 21 HA SER 21 -4.024 -7.534 -9.476
139 1HB SER 21 HB2 SER 21 -3.906 -4.843 -9.732
140 2HB SER 21 HB1 SER 21 -2.184 -5.225 -9.718
141 HG SER 21 HG SER 21 -3.697 -5.349 -11.773
142 H GLY 22 HN GLY 22 -2.220 -8.745 -10.012
143 1HA GLY 22 HA2 GLY 22 -0.528 -9.531 -7.925
144 2HA GLY 22 HA1 GLY 22 -0.284 -9.913 -9.622
145 H GLU 23 HN GLU 23 -0.164 -6.992 -10.285
146 HA GLU 23 HA GLU 23 2.597 -6.672 -10.247
147 1HB GLU 23 HB2 GLU 23 0.702 -5.557 -11.674
148 2HB GLU 23 HB1 GLU 23 0.736 -4.330 -10.406
149 1HG GLU 23 HG2 GLU 23 3.396 -4.818 -11.133
150 2HG GLU 23 HG1 GLU 23 2.474 -4.693 -12.627
151 H CYS 24 HN CYS 24 0.125 -4.917 -8.374
152 HA CYS 24 HA CYS 24 1.834 -3.427 -6.797
153 1HB CYS 24 HB2 CYS 24 -0.571 -3.002 -6.903
154 2HB CYS 24 HB1 CYS 24 -0.886 -4.519 -6.069
155 H CYS 25 HN CYS 25 1.001 -6.764 -6.598
156 HA CYS 25 HA CYS 25 1.680 -7.241 -3.900
157 1HB CYS 25 HB2 CYS 25 0.963 -8.807 -6.225
158 2HB CYS 25 HB1 CYS 25 2.264 -9.585 -5.331
159 H GLY 26 HN GLY 26 3.555 -7.581 -6.904
160 1HA GLY 26 HA2 GLY 26 5.954 -8.302 -5.486
161 2HA GLY 26 HA1 GLY 26 5.811 -7.995 -7.210
162 H ASN 27 HN ASN 27 4.530 -5.332 -6.596
163 HA ASN 27 HA ASN 27 6.852 -3.787 -6.736
164 1HB ASN 27 HB2 ASN 27 3.981 -3.031 -6.238
165 2HB ASN 27 HB1 ASN 27 5.267 -1.844 -6.432
166 1HD2 ASN 27 HD21 ASN 27 6.694 -2.425 -8.448
167 2HD2 ASN 27 HD22 ASN 27 5.791 -2.696 -9.896
168 H LEU 28 HN LEU 28 4.387 -3.787 -4.220
169 HA LEU 28 HA LEU 28 5.778 -2.288 -2.364
170 1HB LEU 28 HB2 LEU 28 4.320 -3.346 -0.647
171 2HB LEU 28 HB1 LEU 28 3.461 -2.667 -2.016
172 HG LEU 28 HG LEU 28 3.723 -5.213 -2.858
173 1HD1 LEU 28 HD11 LEU 28 3.264 -5.496 0.099
174 2HD1 LEU 28 HD12 LEU 28 4.840 -5.755 -0.651
175 3HD1 LEU 28 HD13 LEU 28 3.469 -6.768 -1.105
176 1HD2 LEU 28 HD21 LEU 28 1.465 -5.295 -2.657
177 2HD2 LEU 28 HD22 LEU 28 1.687 -3.581 -2.306
178 3HD2 LEU 28 HD23 LEU 28 1.481 -4.733 -0.986
179 H ARG 29 HN ARG 29 6.177 -5.578 -3.286
180 HA ARG 29 HA ARG 29 7.477 -6.549 -1.024
181 1HB ARG 29 HB2 ARG 29 7.031 -7.415 -3.773
182 2HB ARG 29 HB1 ARG 29 8.572 -7.959 -3.128
183 1HG ARG 29 HG2 ARG 29 6.590 -9.510 -2.873
184 2HG ARG 29 HG1 ARG 29 7.554 -9.199 -1.431
185 1HD ARG 29 HD2 ARG 29 5.373 -7.306 -1.778
186 2HD ARG 29 HD1 ARG 29 4.817 -8.973 -1.641
187 HE ARG 29 HE ARG 29 5.806 -7.358 0.452
188 1HH1 ARG 29 HH11 ARG 29 5.929 -10.634 -0.747
189 2HH1 ARG 29 HH12 ARG 29 6.213 -11.327 0.814
190 1HH2 ARG 29 HH21 ARG 29 6.180 -8.269 2.507
191 2HH2 ARG 29 HH22 ARG 29 6.355 -9.985 2.661
192 H ALA 30 HN ALA 30 8.779 -5.299 -4.042
193 HA ALA 30 HA ALA 30 11.463 -5.507 -3.514
194 1HB ALA 30 HB1 ALA 30 10.966 -2.984 -4.791
195 2HB ALA 30 HB2 ALA 30 9.881 -4.217 -5.434
196 3HB ALA 30 HB3 ALA 30 11.625 -4.470 -5.474
197 H GLN 31 HN GLN 31 9.131 -3.401 -2.114
198 HA GLN 31 HA GLN 31 11.060 -1.566 -0.995
199 1HB GLN 31 HB2 GLN 31 8.223 -1.762 -0.057
200 2HB GLN 31 HB1 GLN 31 9.255 -0.344 -0.187
201 1HG GLN 31 HG2 GLN 31 9.033 -1.232 -2.790
202 2HG GLN 31 HG1 GLN 31 7.429 -1.497 -2.112
203 1HE2 GLN 31 HE21 GLN 31 9.811 0.832 -3.021
204 2HE2 GLN 31 HE22 GLN 31 8.808 2.237 -2.846
205 H GLN 32 HN GLN 32 8.558 -3.508 0.630
206 HA GLN 32 HA GLN 32 8.508 -4.461 2.692
207 1HB GLN 32 HB2 GLN 32 10.355 -5.725 1.125
208 2HB GLN 32 HB1 GLN 32 11.278 -5.394 2.585
209 1HG GLN 32 HG2 GLN 32 10.340 -7.142 3.559
210 2HG GLN 32 HG1 GLN 32 8.762 -6.372 3.394
211 1HE2 GLN 32 HE21 GLN 32 8.124 -6.461 0.872
212 2HE2 GLN 32 HE22 GLN 32 8.115 -8.070 0.245
213 H GLY 33 HN GLY 33 9.784 -1.704 2.407
214 1HA GLY 33 HA2 GLY 33 10.868 -1.633 5.138
215 2HA GLY 33 HA1 GLY 33 11.766 -0.860 3.838
216 H CYS 34 HN CYS 34 10.753 0.915 2.707
217 HA CYS 34 HA CYS 34 9.562 2.775 4.394
218 1HB CYS 34 HB2 CYS 34 10.851 3.071 2.147
219 2HB CYS 34 HB1 CYS 34 9.241 2.953 1.465
220 H PHE 35 HN PHE 35 8.276 0.478 2.175
221 HA PHE 35 HA PHE 35 5.658 1.351 1.898
222 1HB PHE 35 HB2 PHE 35 5.791 -0.431 0.537
223 2HB PHE 35 HB1 PHE 35 7.178 -1.051 1.419
224 HD1 PHE 35 HD1 PHE 35 6.842 -2.566 3.342
225 HD2 PHE 35 HD2 PHE 35 3.632 -1.368 0.819
226 HE1 PHE 35 HE1 PHE 35 5.500 -4.454 4.164
227 HE2 PHE 35 HE2 PHE 35 2.280 -3.251 1.641
228 HZ PHE 35 HZ PHE 35 3.211 -4.797 3.318
229 H CYS 36 HN CYS 36 7.079 -0.716 4.338
230 HA CYS 36 HA CYS 36 4.713 -1.225 5.790
231 1HB CYS 36 HB2 CYS 36 7.037 -2.386 5.924
232 2HB CYS 36 HB1 CYS 36 7.418 -1.127 7.094
233 H GLN 37 HN GLN 37 7.377 1.038 6.512
234 HA GLN 37 HA GLN 37 6.067 2.271 8.656
235 1HB GLN 37 HB2 GLN 37 7.795 4.057 8.396
236 2HB GLN 37 HB1 GLN 37 8.444 2.431 8.537
237 1HG GLN 37 HG2 GLN 37 8.831 2.338 6.158
238 2HG GLN 37 HG1 GLN 37 8.079 3.919 5.947
239 1HE2 GLN 37 HE21 GLN 37 10.320 4.100 4.885
240 2HE2 GLN 37 HE22 GLN 37 11.573 4.733 5.889
241 H TYR 38 HN TYR 38 5.832 2.685 5.259
242 HA TYR 38 HA TYR 38 4.968 5.335 5.079
243 1HB TYR 38 HB2 TYR 38 4.841 2.931 3.395
244 2HB TYR 38 HB1 TYR 38 3.521 4.060 3.118
245 HD1 TYR 38 HD1 TYR 38 5.045 6.626 3.661
246 HD2 TYR 38 HD2 TYR 38 6.038 3.177 1.379
247 HE1 TYR 38 HE1 TYR 38 6.512 7.995 2.244
248 HE2 TYR 38 HE2 TYR 38 7.510 4.536 -0.044
249 HH TYR 38 HH TYR 38 7.814 6.850 -0.699
250 H ALA 39 HN ALA 39 3.434 2.604 6.452
251 HA ALA 39 HA ALA 39 0.756 3.038 6.072
252 1HB ALA 39 HB1 ALA 39 1.705 2.273 8.786
253 2HB ALA 39 HB2 ALA 39 2.043 1.215 7.416
254 3HB ALA 39 HB3 ALA 39 0.377 1.615 7.831
255 H LYS 40 HN LYS 40 2.960 4.970 7.880
256 HA LYS 40 HA LYS 40 0.790 6.375 9.242
257 1HB LYS 40 HB2 LYS 40 3.116 5.633 10.261
258 2HB LYS 40 HB1 LYS 40 3.646 7.160 9.570
259 1HG LYS 40 HG2 LYS 40 2.959 8.111 11.452
260 2HG LYS 40 HG1 LYS 40 1.312 7.822 10.888
261 1HD LYS 40 HD2 LYS 40 1.380 6.905 13.050
262 2HD LYS 40 HD1 LYS 40 1.526 5.519 11.966
263 1HE LYS 40 HE2 LYS 40 3.867 5.366 12.344
264 2HE LYS 40 HE1 LYS 40 3.899 6.922 13.174
265 1HZ LYS 40 HZ1 LYS 40 3.804 4.591 14.439
266 2HZ LYS 40 HZ2 LYS 40 2.147 4.905 14.315
267 3HZ LYS 40 HZ3 LYS 40 3.162 6.018 15.084
268 H ASP 41 HN ASP 41 2.981 6.724 6.608
269 HA ASP 41 HA ASP 41 3.124 9.491 6.348
270 1HB ASP 41 HB2 ASP 41 4.495 7.982 5.014
271 2HB ASP 41 HB1 ASP 41 3.059 7.378 4.183
272 HA PRO 42 HA PRO 42 -1.227 10.084 5.283
273 1HB PRO 42 HB2 PRO 42 -1.476 12.560 6.225
274 2HB PRO 42 HB1 PRO 42 -1.318 11.185 7.325
275 1HG PRO 42 HG2 PRO 42 0.715 13.213 6.520
276 2HG PRO 42 HG1 PRO 42 0.461 12.442 8.094
277 1HD PRO 42 HD2 PRO 42 2.368 11.696 6.179
278 2HD PRO 42 HD1 PRO 42 1.854 10.727 7.572
279 H THR 43 HN THR 43 1.585 11.633 4.112
280 HA THR 43 HA THR 43 0.656 13.731 2.588
281 HB THR 43 HB THR 43 2.594 12.415 1.009
282 HG1 THR 43 HG1 THR 43 3.364 12.370 3.725
283 1HG2 THR 43 HG21 THR 43 3.007 14.629 1.115
284 2HG2 THR 43 HG22 THR 43 4.103 14.104 2.393
285 3HG2 THR 43 HG23 THR 43 2.516 14.756 2.804
286 H TYR 44 HN TYR 44 0.260 10.319 2.040
287 HA TYR 44 HA TYR 44 -0.392 10.442 -0.713
288 1HB TYR 44 HB2 TYR 44 -1.184 8.410 1.384
289 2HB TYR 44 HB1 TYR 44 -1.386 8.200 -0.352
290 HD1 TYR 44 HD1 TYR 44 0.369 6.769 1.976
291 HD2 TYR 44 HD2 TYR 44 1.177 9.291 -1.354
292 HE1 TYR 44 HE1 TYR 44 2.639 5.837 1.829
293 HE2 TYR 44 HE2 TYR 44 3.450 8.364 -1.511
294 HH TYR 44 HH TYR 44 5.072 7.224 -0.157
295 H GLY 45 HN GLY 45 -2.528 10.040 2.127
296 1HA GLY 45 HA2 GLY 45 -4.445 11.593 2.284
297 2HA GLY 45 HA1 GLY 45 -4.648 11.372 0.553
298 H GLN 46 HN GLN 46 -4.851 9.742 3.674
299 HA GLN 46 HA GLN 46 -6.120 8.010 4.422
300 1HB GLN 46 HB2 GLN 46 -7.826 9.623 3.343
301 2HB GLN 46 HB1 GLN 46 -7.915 8.425 2.061
302 1HG GLN 46 HG2 GLN 46 -8.192 6.945 4.384
303 2HG GLN 46 HG1 GLN 46 -9.115 8.415 4.692
304 1HE2 GLN 46 HE21 GLN 46 -8.552 6.560 1.727
305 2HE2 GLN 46 HE22 GLN 46 -10.229 6.267 1.386
306 H TYR 47 HN TYR 47 -4.070 7.644 2.264
307 HA TYR 47 HA TYR 47 -4.858 5.587 0.521
308 1HB TYR 47 HB2 TYR 47 -2.744 7.128 0.560
309 2HB TYR 47 HB1 TYR 47 -2.080 5.808 1.514
310 HD1 TYR 47 HD1 TYR 47 -1.455 3.735 0.515
311 HD2 TYR 47 HD2 TYR 47 -3.418 6.735 -1.768
312 HE1 TYR 47 HE1 TYR 47 -0.899 2.515 -1.548
313 HE2 TYR 47 HE2 TYR 47 -2.871 5.524 -3.842
314 HH TYR 47 HH TYR 47 -1.629 2.322 -3.826
315 H ILE 48 HN ILE 48 -2.971 5.457 3.524
316 HA ILE 48 HA ILE 48 -2.950 2.625 3.645
317 HB ILE 48 HB ILE 48 -2.446 4.580 5.887
318 1HG1 ILE 48 HG12 ILE 48 -1.059 4.957 3.827
319 2HG1 ILE 48 HG11 ILE 48 -0.127 4.544 5.261
320 1HG2 ILE 48 HG21 ILE 48 -1.086 2.755 6.830
321 2HG2 ILE 48 HG22 ILE 48 -1.621 1.703 5.519
322 3HG2 ILE 48 HG23 ILE 48 -2.790 2.322 6.686
323 1HD1 ILE 48 HD11 ILE 48 -0.744 2.828 2.882
324 2HD1 ILE 48 HD12 ILE 48 -0.149 2.157 4.400
325 3HD1 ILE 48 HD13 ILE 48 0.829 3.322 3.507
326 H ARG 49 HN ARG 49 -4.986 5.117 5.102
327 HA ARG 49 HA ARG 49 -6.401 3.214 6.727
328 1HB ARG 49 HB2 ARG 49 -7.249 6.044 6.144
329 2HB ARG 49 HB1 ARG 49 -7.693 5.053 7.526
330 1HG ARG 49 HG2 ARG 49 -5.677 5.368 8.577
331 2HG ARG 49 HG1 ARG 49 -4.821 5.696 7.069
332 1HD ARG 49 HD2 ARG 49 -5.231 7.889 7.193
333 2HD ARG 49 HD1 ARG 49 -6.921 7.634 7.623
334 HE ARG 49 HE ARG 49 -5.293 7.032 9.836
335 1HH1 ARG 49 HH11 ARG 49 -6.382 9.765 7.960
336 2HH1 ARG 49 HH12 ARG 49 -6.262 10.879 9.280
337 1HH2 ARG 49 HH21 ARG 49 -5.132 8.496 11.574
338 2HH2 ARG 49 HH22 ARG 49 -5.552 10.159 11.332
339 H SER 50 HN SER 50 -6.407 2.893 3.799
340 HA SER 50 HA SER 50 -9.115 3.382 2.972
341 1HB SER 50 HB2 SER 50 -6.882 3.225 1.553
342 2HB SER 50 HB1 SER 50 -7.364 1.533 1.486
343 HG SER 50 HG SER 50 -8.296 3.531 0.042
344 HA PRO 51 HA PRO 51 -10.714 -0.519 4.278
345 1HB PRO 51 HB2 PRO 51 -12.772 -0.762 2.438
346 2HB PRO 51 HB1 PRO 51 -12.842 0.176 3.928
347 1HG PRO 51 HG2 PRO 51 -12.786 1.120 1.199
348 2HG PRO 51 HG1 PRO 51 -13.012 2.047 2.688
349 1HD PRO 51 HD2 PRO 51 -10.645 1.780 1.031
350 2HD PRO 51 HD1 PRO 51 -10.946 2.896 2.376
351 H HIS 52 HN HIS 52 -10.341 -0.142 0.789
352 HA HIS 52 HA HIS 52 -10.212 -2.970 0.308
353 1HB HIS 52 HB2 HIS 52 -9.299 -1.081 -1.785
354 2HB HIS 52 HB1 HIS 52 -10.396 -2.453 -1.908
355 HD1 HIS 52 HD1 HIS 52 -10.764 0.667 -2.886
356 HD2 HIS 52 HD2 HIS 52 -12.650 -1.290 0.253
357 HE1 HIS 52 HE1 HIS 52 -12.878 1.960 -2.450
358 HE2 HIS 52 HE2 HIS 52 -13.981 0.781 -0.526
359 H ALA 53 HN ALA 53 -7.951 -0.375 0.752
360 HA ALA 53 HA ALA 53 -5.659 -1.418 -0.355
361 1HB ALA 53 HB1 ALA 53 -4.410 -0.028 1.229
362 2HB ALA 53 HB2 ALA 53 -5.889 0.220 2.156
363 3HB ALA 53 HB3 ALA 53 -5.765 0.842 0.510
364 H ARG 54 HN ARG 54 -7.028 -2.036 2.810
365 HA ARG 54 HA ARG 54 -4.935 -3.608 3.786
366 1HB ARG 54 HB2 ARG 54 -6.202 -3.000 5.553
367 2HB ARG 54 HB1 ARG 54 -7.669 -2.918 4.590
368 1HG ARG 54 HG2 ARG 54 -8.032 -5.248 4.795
369 2HG ARG 54 HG1 ARG 54 -6.435 -5.496 5.504
370 1HD ARG 54 HD2 ARG 54 -7.784 -5.522 7.376
371 2HD ARG 54 HD1 ARG 54 -7.286 -3.832 7.315
372 HE ARG 54 HE ARG 54 -9.591 -3.832 5.912
373 1HH1 ARG 54 HH11 ARG 54 -8.734 -5.053 9.067
374 2HH1 ARG 54 HH12 ARG 54 -10.316 -4.813 9.728
375 1HH2 ARG 54 HH21 ARG 54 -11.673 -3.515 6.781
376 2HH2 ARG 54 HH22 ARG 54 -11.985 -3.940 8.431
377 H ASP 55 HN ASP 55 -7.671 -4.294 1.781
378 HA ASP 55 HA ASP 55 -7.616 -7.110 2.041
379 1HB ASP 55 HB2 ASP 55 -9.484 -5.547 1.113
380 2HB ASP 55 HB1 ASP 55 -8.621 -5.775 -0.404
381 H THR 56 HN THR 56 -6.186 -4.841 -0.182
382 HA THR 56 HA THR 56 -5.160 -6.599 -2.056
383 HB THR 56 HB THR 56 -3.658 -4.176 -1.259
384 HG1 THR 56 HG1 THR 56 -5.172 -2.865 -2.087
385 1HG2 THR 56 HG21 THR 56 -4.480 -4.779 -4.035
386 2HG2 THR 56 HG22 THR 56 -3.190 -5.739 -3.310
387 3HG2 THR 56 HG23 THR 56 -3.024 -3.987 -3.432
388 H LEU 57 HN LEU 57 -3.633 -5.300 0.870
389 HA LEU 57 HA LEU 57 -1.197 -6.592 0.608
390 1HB LEU 57 HB2 LEU 57 -2.623 -5.171 2.677
391 2HB LEU 57 HB1 LEU 57 -1.603 -6.442 3.330
392 HG LEU 57 HG LEU 57 -0.083 -5.018 1.411
393 1HD1 LEU 57 HD11 LEU 57 -0.344 -2.812 1.798
394 2HD1 LEU 57 HD12 LEU 57 -0.835 -3.053 3.475
395 3HD1 LEU 57 HD13 LEU 57 -1.995 -3.307 2.170
396 1HD2 LEU 57 HD21 LEU 57 1.000 -6.104 3.185
397 2HD2 LEU 57 HD22 LEU 57 -0.009 -5.312 4.395
398 3HD2 LEU 57 HD23 LEU 57 1.203 -4.383 3.513
399 H THR 58 HN THR 58 -4.051 -7.569 2.415
400 HA THR 58 HA THR 58 -3.057 -10.004 3.343
401 HB THR 58 HB THR 58 -5.955 -9.457 2.705
402 HG1 THR 58 HG1 THR 58 -4.370 -8.551 4.861
403 1HG2 THR 58 HG21 THR 58 -6.468 -10.863 4.555
404 2HG2 THR 58 HG22 THR 58 -4.763 -11.015 4.982
405 3HG2 THR 58 HG23 THR 58 -5.367 -11.738 3.491
406 H SER 59 HN SER 59 -4.890 -9.197 0.423
407 HA SER 59 HA SER 59 -5.307 -11.697 -0.625
408 1HB SER 59 HB2 SER 59 -5.907 -9.315 -1.502
409 2HB SER 59 HB1 SER 59 -4.397 -9.495 -2.381
410 HG SER 59 HG SER 59 -5.341 -10.820 -3.703
411 H CYS 60 HN CYS 60 -2.440 -9.803 -0.408
412 HA CYS 60 HA CYS 60 -0.842 -11.392 -2.165
413 1HB CYS 60 HB2 CYS 60 -0.646 -8.877 -1.163
414 2HB CYS 60 HB1 CYS 60 0.456 -9.732 -0.094
415 H GLY 61 HN GLY 61 -1.392 -11.172 1.326
416 1HA GLY 61 HA2 GLY 61 -1.057 -12.766 2.957
417 2HA GLY 61 HA1 GLY 61 -0.561 -13.887 1.700
418 H LEU 62 HN LEU 62 0.741 -10.809 2.975
419 HA LEU 62 HA LEU 62 3.290 -12.222 3.411
420 1HB LEU 62 HB2 LEU 62 3.795 -9.439 3.056
421 2HB LEU 62 HB1 LEU 62 4.384 -10.791 2.114
422 HG LEU 62 HG LEU 62 1.648 -9.740 1.538
423 1HD1 LEU 62 HD11 LEU 62 2.338 -7.725 0.936
424 2HD1 LEU 62 HD12 LEU 62 3.494 -8.451 -0.179
425 3HD1 LEU 62 HD13 LEU 62 3.972 -8.102 1.481
426 1HD2 LEU 62 HD21 LEU 62 3.316 -10.315 -0.716
427 2HD2 LEU 62 HD22 LEU 62 1.847 -11.130 -0.186
428 3HD2 LEU 62 HD23 LEU 62 3.412 -11.647 0.436
429 H ALA 63 HN ALA 63 2.331 -8.899 4.170
430 HA ALA 63 HA ALA 63 2.134 -9.524 6.981
431 1HB ALA 63 HB1 ALA 63 4.284 -7.704 5.921
432 2HB ALA 63 HB2 ALA 63 4.510 -9.230 6.775
433 3HB ALA 63 HB3 ALA 63 3.833 -7.838 7.620
434 H VAL 64 HN VAL 64 1.645 -7.503 8.273
435 HA VAL 64 HA VAL 64 -0.108 -5.775 6.709
436 HB VAL 64 HB VAL 64 -1.174 -7.230 8.442
437 1HG1 VAL 64 HG11 VAL 64 0.057 -5.396 10.475
438 2HG1 VAL 64 HG12 VAL 64 0.775 -6.949 10.050
439 3HG1 VAL 64 HG13 VAL 64 -0.846 -6.887 10.741
440 1HG2 VAL 64 HG21 VAL 64 -2.522 -5.386 9.463
441 2HG2 VAL 64 HG22 VAL 64 -2.360 -5.291 7.709
442 3HG2 VAL 64 HG23 VAL 64 -1.391 -4.240 8.742
443 HA PRO 65 HA PRO 65 2.556 -2.334 7.588
444 1HB PRO 65 HB2 PRO 65 0.622 -0.356 7.650
445 2HB PRO 65 HB1 PRO 65 1.376 -0.981 6.181
446 1HG PRO 65 HG2 PRO 65 -1.241 -1.705 7.428
447 2HG PRO 65 HG1 PRO 65 -0.846 -1.456 5.717
448 1HD PRO 65 HD2 PRO 65 -1.094 -3.917 6.718
449 2HD PRO 65 HD1 PRO 65 0.163 -3.545 5.519
450 H HIS 66 HN HIS 66 1.854 -0.074 9.026
451 HA HIS 66 HA HIS 66 1.786 0.756 11.141
452 1HB HIS 66 HB2 HIS 66 -0.116 -1.567 11.467
453 2HB HIS 66 HB1 HIS 66 0.204 -0.407 12.752
454 HD1 HIS 66 HD1 HIS 66 -1.658 -0.851 9.584
455 HD2 HIS 66 HD2 HIS 66 -0.809 2.207 12.261
456 HE1 HIS 66 HE1 HIS 66 -3.247 1.008 9.014
457 HE2 HIS 66 HE2 HIS 66 -2.780 2.811 10.705
458 H CYS 67 HN CYS 67 3.846 -1.143 10.371
459 HA CYS 67 HA CYS 67 4.376 -2.805 12.662
460 1HB CYS 67 HB2 CYS 67 6.551 -3.236 11.502
461 2HB CYS 67 HB1 CYS 67 5.135 -3.588 10.517
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 15.188 2.823 -5.862
2 2H ALA 1 HT2 ALA 1 14.820 1.170 -5.585
3 3H ALA 1 HT3 ALA 1 16.336 1.807 -5.094
4 HA ALA 1 HA ALA 1 15.205 1.724 -3.160
5 1HB ALA 1 HB1 ALA 1 14.303 4.448 -3.963
6 2HB ALA 1 HB2 ALA 1 16.025 4.072 -3.980
7 3HB ALA 1 HB3 ALA 1 15.103 3.915 -2.485
8 H CYS 2 HN CYS 2 13.165 2.586 -1.945
9 HA CYS 2 HA CYS 2 10.894 1.333 -3.233
10 1HB CYS 2 HB2 CYS 2 9.782 1.726 -1.016
11 2HB CYS 2 HB1 CYS 2 11.248 0.755 -0.934
12 H GLN 3 HN GLN 3 11.126 3.263 -4.836
13 HA GLN 3 HA GLN 3 10.177 5.813 -4.099
14 1HB GLN 3 HB2 GLN 3 11.363 4.913 -6.292
15 2HB GLN 3 HB1 GLN 3 9.703 4.765 -6.851
16 1HG GLN 3 HG2 GLN 3 9.856 6.887 -7.468
17 2HG GLN 3 HG1 GLN 3 9.785 7.291 -5.754
18 1HE2 GLN 3 HE21 GLN 3 11.405 7.932 -8.470
19 2HE2 GLN 3 HE22 GLN 3 12.962 8.318 -7.829
20 H ALA 4 HN ALA 4 8.144 6.798 -4.541
21 HA ALA 4 HA ALA 4 5.923 5.255 -3.746
22 1HB ALA 4 HB1 ALA 4 4.956 7.239 -3.424
23 2HB ALA 4 HB2 ALA 4 5.225 7.735 -5.095
24 3HB ALA 4 HB3 ALA 4 6.503 7.943 -3.896
25 H SER 5 HN SER 5 7.230 6.062 -6.864
26 HA SER 5 HA SER 5 5.022 5.745 -8.510
27 1HB SER 5 HB2 SER 5 7.643 6.238 -8.952
28 2HB SER 5 HB1 SER 5 7.554 4.561 -9.492
29 HG SER 5 HG SER 5 7.048 6.399 -11.032
30 H GLN 6 HN GLN 6 6.863 3.348 -6.793
31 HA GLN 6 HA GLN 6 6.018 1.106 -8.273
32 1HB GLN 6 HB2 GLN 6 7.205 1.450 -5.535
33 2HB GLN 6 HB1 GLN 6 6.721 -0.130 -6.135
34 1HG GLN 6 HG2 GLN 6 8.244 0.151 -8.044
35 2HG GLN 6 HG1 GLN 6 8.758 1.701 -7.381
36 1HE2 GLN 6 HE21 GLN 6 10.046 1.745 -5.545
37 2HE2 GLN 6 HE22 GLN 6 10.875 0.345 -4.965
38 H LEU 7 HN LEU 7 4.401 3.131 -6.118
39 HA LEU 7 HA LEU 7 2.424 1.055 -5.466
40 1HB LEU 7 HB2 LEU 7 2.345 3.713 -4.145
41 2HB LEU 7 HB1 LEU 7 1.953 2.130 -3.502
42 HG LEU 7 HG LEU 7 4.798 2.925 -4.081
43 1HD1 LEU 7 HD11 LEU 7 3.052 3.703 -1.809
44 2HD1 LEU 7 HD12 LEU 7 4.396 4.567 -2.557
45 3HD1 LEU 7 HD13 LEU 7 4.713 3.229 -1.452
46 1HD2 LEU 7 HD21 LEU 7 4.880 1.258 -1.988
47 2HD2 LEU 7 HD22 LEU 7 4.903 0.702 -3.662
48 3HD2 LEU 7 HD23 LEU 7 3.394 0.688 -2.749
49 H ALA 8 HN ALA 8 2.955 3.913 -7.286
50 HA ALA 8 HA ALA 8 0.537 5.153 -7.454
51 1HB ALA 8 HB1 ALA 8 1.135 5.699 -9.812
52 2HB ALA 8 HB2 ALA 8 2.493 4.584 -9.661
53 3HB ALA 8 HB3 ALA 8 2.414 6.021 -8.641
54 H VAL 9 HN VAL 9 1.550 2.578 -9.639
55 HA VAL 9 HA VAL 9 -0.815 2.174 -10.971
56 HB VAL 9 HB VAL 9 1.271 1.103 -11.649
57 1HG1 VAL 9 HG11 VAL 9 1.409 -1.233 -10.155
58 2HG1 VAL 9 HG12 VAL 9 1.156 0.039 -8.961
59 3HG1 VAL 9 HG13 VAL 9 2.516 0.137 -10.079
60 1HG2 VAL 9 HG21 VAL 9 -1.188 0.117 -12.007
61 2HG2 VAL 9 HG22 VAL 9 -0.456 -1.252 -11.170
62 3HG2 VAL 9 HG23 VAL 9 0.256 -0.651 -12.667
63 H CYS 10 HN CYS 10 0.038 1.248 -7.761
64 HA CYS 10 HA CYS 10 -1.970 -0.743 -7.378
65 1HB CYS 10 HB2 CYS 10 0.201 -0.204 -6.007
66 2HB CYS 10 HB1 CYS 10 -0.859 0.897 -5.131
67 H ALA 11 HN ALA 11 -1.796 2.710 -7.049
68 HA ALA 11 HA ALA 11 -3.862 3.383 -5.424
69 1HB ALA 11 HB1 ALA 11 -3.078 4.670 -8.029
70 2HB ALA 11 HB2 ALA 11 -2.502 5.081 -6.413
71 3HB ALA 11 HB3 ALA 11 -4.179 5.398 -6.859
72 H SER 12 HN SER 12 -4.078 1.962 -8.568
73 HA SER 12 HA SER 12 -6.629 2.544 -9.377
74 1HB SER 12 HB2 SER 12 -4.726 0.918 -10.334
75 2HB SER 12 HB1 SER 12 -5.797 -0.299 -9.639
76 HG SER 12 HG SER 12 -7.493 0.613 -10.888
77 H ALA 13 HN ALA 13 -5.609 0.397 -6.818
78 HA ALA 13 HA ALA 13 -8.326 -0.527 -6.387
79 1HB ALA 13 HB1 ALA 13 -6.483 -2.167 -6.362
80 2HB ALA 13 HB2 ALA 13 -7.385 -2.127 -4.847
81 3HB ALA 13 HB3 ALA 13 -5.808 -1.345 -4.955
82 H ILE 14 HN ILE 14 -5.840 1.448 -4.894
83 HA ILE 14 HA ILE 14 -7.229 1.793 -2.414
84 HB ILE 14 HB ILE 14 -4.966 3.388 -3.626
85 1HG1 ILE 14 HG12 ILE 14 -3.805 2.118 -1.612
86 2HG1 ILE 14 HG11 ILE 14 -5.124 0.976 -1.865
87 1HG2 ILE 14 HG21 ILE 14 -5.528 4.908 -2.075
88 2HG2 ILE 14 HG22 ILE 14 -4.797 3.776 -0.937
89 3HG2 ILE 14 HG23 ILE 14 -6.543 3.773 -1.187
90 1HD1 ILE 14 HD11 ILE 14 -3.880 1.675 -4.366
91 2HD1 ILE 14 HD12 ILE 14 -4.101 0.093 -3.618
92 3HD1 ILE 14 HD13 ILE 14 -2.693 1.073 -3.209
93 H LEU 15 HN LEU 15 -6.527 4.067 -5.080
94 HA LEU 15 HA LEU 15 -8.418 5.986 -4.125
95 1HB LEU 15 HB2 LEU 15 -6.904 5.756 -6.721
96 2HB LEU 15 HB1 LEU 15 -7.951 7.106 -6.328
97 HG LEU 15 HG LEU 15 -5.540 6.321 -4.692
98 1HD1 LEU 15 HD11 LEU 15 -4.254 7.875 -5.820
99 2HD1 LEU 15 HD12 LEU 15 -5.658 8.702 -6.495
100 3HD1 LEU 15 HD13 LEU 15 -5.175 7.128 -7.126
101 1HD2 LEU 15 HD21 LEU 15 -7.316 7.565 -3.507
102 2HD2 LEU 15 HD22 LEU 15 -7.184 8.849 -4.708
103 3HD2 LEU 15 HD23 LEU 15 -5.818 8.483 -3.656
104 H SER 16 HN SER 16 -8.338 4.526 -7.368
105 HA SER 16 HA SER 16 -10.968 4.991 -8.032
106 1HB SER 16 HB2 SER 16 -8.863 3.828 -9.298
107 2HB SER 16 HB1 SER 16 -9.895 2.424 -9.025
108 HG SER 16 HG SER 16 -10.282 3.608 -11.022
109 H GLY 17 HN GLY 17 -9.654 1.943 -6.712
110 1HA GLY 17 HA2 GLY 17 -10.717 0.629 -5.062
111 2HA GLY 17 HA1 GLY 17 -12.218 1.484 -5.380
112 H ALA 18 HN ALA 18 -10.396 0.320 -8.074
113 HA ALA 18 HA ALA 18 -12.536 -1.273 -9.002
114 1HB ALA 18 HB1 ALA 18 -11.455 -0.968 -10.912
115 2HB ALA 18 HB2 ALA 18 -10.154 -2.013 -10.341
116 3HB ALA 18 HB3 ALA 18 -10.090 -0.278 -10.035
117 H LYS 19 HN LYS 19 -9.253 -2.444 -8.609
118 HA LYS 19 HA LYS 19 -9.891 -4.470 -6.735
119 1HB LYS 19 HB2 LYS 19 -9.348 -6.371 -8.397
120 2HB LYS 19 HB1 LYS 19 -10.971 -5.696 -8.399
121 1HG LYS 19 HG2 LYS 19 -10.588 -5.720 -10.631
122 2HG LYS 19 HG1 LYS 19 -9.915 -4.132 -10.261
123 1HD LYS 19 HD2 LYS 19 -7.734 -5.616 -9.850
124 2HD LYS 19 HD1 LYS 19 -8.551 -6.651 -11.022
125 1HE LYS 19 HE2 LYS 19 -7.140 -5.199 -12.258
126 2HE LYS 19 HE1 LYS 19 -8.790 -4.623 -12.488
127 1HZ LYS 19 HZ1 LYS 19 -7.353 -2.771 -12.077
128 2HZ LYS 19 HZ2 LYS 19 -6.752 -3.473 -10.660
129 3HZ LYS 19 HZ3 LYS 19 -8.364 -2.966 -10.734
130 HA PRO 20 HA PRO 20 -5.560 -4.656 -6.033
131 1HB PRO 20 HB2 PRO 20 -5.607 -7.598 -6.476
132 2HB PRO 20 HB1 PRO 20 -5.030 -6.678 -5.082
133 1HG PRO 20 HG2 PRO 20 -7.338 -7.999 -4.972
134 2HG PRO 20 HG1 PRO 20 -7.163 -6.407 -4.210
135 1HD PRO 20 HD2 PRO 20 -8.514 -7.146 -6.771
136 2HD PRO 20 HD1 PRO 20 -8.986 -5.944 -5.551
137 H SER 21 HN SER 21 -3.571 -6.264 -6.955
138 HA SER 21 HA SER 21 -3.627 -6.792 -9.724
139 1HB SER 21 HB2 SER 21 -2.845 -4.057 -8.875
140 2HB SER 21 HB1 SER 21 -1.822 -4.828 -10.087
141 HG SER 21 HG SER 21 -3.338 -3.995 -11.336
142 H GLY 22 HN GLY 22 -1.903 -8.015 -10.303
143 1HA GLY 22 HA2 GLY 22 -0.210 -9.055 -8.320
144 2HA GLY 22 HA1 GLY 22 0.001 -9.270 -10.051
145 H GLU 23 HN GLU 23 0.291 -6.454 -10.646
146 HA GLU 23 HA GLU 23 3.036 -6.174 -10.466
147 1HB GLU 23 HB2 GLU 23 1.222 -4.983 -11.934
148 2HB GLU 23 HB1 GLU 23 1.238 -3.785 -10.639
149 1HG GLU 23 HG2 GLU 23 3.907 -4.256 -11.221
150 2HG GLU 23 HG1 GLU 23 3.096 -4.212 -12.783
151 H CYS 24 HN CYS 24 0.500 -4.572 -8.552
152 HA CYS 24 HA CYS 24 2.146 -3.057 -6.922
153 1HB CYS 24 HB2 CYS 24 -0.260 -2.702 -7.011
154 2HB CYS 24 HB1 CYS 24 -0.540 -4.278 -6.280
155 H CYS 25 HN CYS 25 1.435 -6.431 -6.844
156 HA CYS 25 HA CYS 25 2.188 -6.938 -4.155
157 1HB CYS 25 HB2 CYS 25 1.341 -8.473 -6.447
158 2HB CYS 25 HB1 CYS 25 2.707 -9.260 -5.663
159 H GLY 26 HN GLY 26 3.925 -7.358 -7.240
160 1HA GLY 26 HA2 GLY 26 6.353 -8.228 -6.147
161 2HA GLY 26 HA1 GLY 26 6.169 -7.445 -7.709
162 H ASN 27 HN ASN 27 5.176 -4.954 -6.786
163 HA ASN 27 HA ASN 27 7.540 -3.583 -6.320
164 1HB ASN 27 HB2 ASN 27 4.658 -2.880 -6.259
165 2HB ASN 27 HB1 ASN 27 5.787 -1.748 -5.522
166 1HD2 ASN 27 HD21 ASN 27 4.091 -1.839 -8.061
167 2HD2 ASN 27 HD22 ASN 27 5.188 -1.335 -9.296
168 H LEU 28 HN LEU 28 4.862 -4.129 -4.106
169 HA LEU 28 HA LEU 28 5.859 -3.031 -1.816
170 1HB LEU 28 HB2 LEU 28 3.703 -4.650 -2.500
171 2HB LEU 28 HB1 LEU 28 4.536 -5.533 -1.236
172 HG LEU 28 HG LEU 28 3.706 -2.661 -0.962
173 1HD1 LEU 28 HD11 LEU 28 1.994 -3.902 0.639
174 2HD1 LEU 28 HD12 LEU 28 2.187 -5.177 -0.564
175 3HD1 LEU 28 HD13 LEU 28 1.625 -3.579 -1.055
176 1HD2 LEU 28 HD21 LEU 28 4.947 -4.722 0.792
177 2HD2 LEU 28 HD22 LEU 28 3.858 -3.533 1.515
178 3HD2 LEU 28 HD23 LEU 28 5.296 -2.999 0.644
179 H ARG 29 HN ARG 29 6.741 -6.051 -3.286
180 HA ARG 29 HA ARG 29 8.052 -7.151 -1.087
181 1HB ARG 29 HB2 ARG 29 7.717 -7.815 -3.871
182 2HB ARG 29 HB1 ARG 29 9.340 -8.190 -3.305
183 1HG ARG 29 HG2 ARG 29 8.432 -10.118 -2.641
184 2HG ARG 29 HG1 ARG 29 7.836 -9.168 -1.276
185 1HD ARG 29 HD2 ARG 29 5.952 -8.708 -3.224
186 2HD ARG 29 HD1 ARG 29 6.377 -10.398 -3.481
187 HE ARG 29 HE ARG 29 5.101 -9.247 -1.129
188 1HH1 ARG 29 HH11 ARG 29 6.540 -12.053 -2.637
189 2HH1 ARG 29 HH12 ARG 29 5.795 -13.171 -1.547
190 1HH2 ARG 29 HH21 ARG 29 4.127 -10.723 0.303
191 2HH2 ARG 29 HH22 ARG 29 4.428 -12.419 0.121
192 H ALA 30 HN ALA 30 9.349 -5.477 -3.891
193 HA ALA 30 HA ALA 30 12.011 -5.459 -3.216
194 1HB ALA 30 HB1 ALA 30 11.302 -4.620 -5.349
195 2HB ALA 30 HB2 ALA 30 12.168 -3.333 -4.510
196 3HB ALA 30 HB3 ALA 30 10.406 -3.307 -4.584
197 H GLN 31 HN GLN 31 9.375 -3.776 -1.793
198 HA GLN 31 HA GLN 31 10.987 -1.858 -0.360
199 1HB GLN 31 HB2 GLN 31 8.187 -2.441 0.464
200 2HB GLN 31 HB1 GLN 31 9.016 -0.898 0.320
201 1HG GLN 31 HG2 GLN 31 8.937 -1.331 -2.211
202 2HG GLN 31 HG1 GLN 31 7.716 -2.538 -1.814
203 1HE2 GLN 31 HE21 GLN 31 8.442 0.795 -2.124
204 2HE2 GLN 31 HE22 GLN 31 6.854 1.404 -1.785
205 H GLN 32 HN GLN 32 8.657 -4.255 0.875
206 HA GLN 32 HA GLN 32 8.596 -5.391 2.829
207 1HB GLN 32 HB2 GLN 32 10.610 -6.318 1.227
208 2HB GLN 32 HB1 GLN 32 11.414 -6.112 2.778
209 1HG GLN 32 HG2 GLN 32 10.634 -8.203 3.102
210 2HG GLN 32 HG1 GLN 32 9.213 -7.305 3.628
211 1HE2 GLN 32 HE21 GLN 32 8.019 -6.565 1.344
212 2HE2 GLN 32 HE22 GLN 32 7.516 -7.948 0.449
213 H GLY 33 HN GLY 33 9.557 -2.545 2.927
214 1HA GLY 33 HA2 GLY 33 9.891 -2.307 5.683
215 2HA GLY 33 HA1 GLY 33 11.497 -2.287 4.969
216 H CYS 34 HN CYS 34 8.730 -0.971 3.287
217 HA CYS 34 HA CYS 34 9.583 1.708 3.918
218 1HB CYS 34 HB2 CYS 34 10.426 0.698 1.678
219 2HB CYS 34 HB1 CYS 34 8.784 1.043 1.163
220 H PHE 35 HN PHE 35 7.099 -0.375 2.675
221 HA PHE 35 HA PHE 35 5.065 1.475 2.283
222 1HB PHE 35 HB2 PHE 35 3.504 -0.461 2.682
223 2HB PHE 35 HB1 PHE 35 4.717 -0.730 1.439
224 HD1 PHE 35 HD1 PHE 35 6.738 -2.135 2.041
225 HD2 PHE 35 HD2 PHE 35 3.278 -1.868 4.505
226 HE1 PHE 35 HE1 PHE 35 7.374 -4.214 3.158
227 HE2 PHE 35 HE2 PHE 35 3.920 -3.957 5.634
228 HZ PHE 35 HZ PHE 35 5.975 -5.135 4.962
229 H CYS 36 HN CYS 36 5.551 -0.590 5.063
230 HA CYS 36 HA CYS 36 3.587 0.336 6.735
231 1HB CYS 36 HB2 CYS 36 4.912 -1.563 7.384
232 2HB CYS 36 HB1 CYS 36 6.378 -0.590 7.437
233 H GLN 37 HN GLN 37 6.668 1.836 5.995
234 HA GLN 37 HA GLN 37 6.835 3.698 8.023
235 1HB GLN 37 HB2 GLN 37 7.608 4.141 5.142
236 2HB GLN 37 HB1 GLN 37 8.212 5.038 6.527
237 1HG GLN 37 HG2 GLN 37 9.196 2.938 7.396
238 2HG GLN 37 HG1 GLN 37 8.688 2.133 5.912
239 1HE2 GLN 37 HE21 GLN 37 9.306 3.663 3.922
240 2HE2 GLN 37 HE22 GLN 37 10.982 4.085 3.890
241 H TYR 38 HN TYR 38 4.877 3.711 5.148
242 HA TYR 38 HA TYR 38 4.065 6.419 5.257
243 1HB TYR 38 HB2 TYR 38 2.825 3.976 3.992
244 2HB TYR 38 HB1 TYR 38 2.122 5.584 3.840
245 HD1 TYR 38 HD1 TYR 38 4.829 3.375 2.800
246 HD2 TYR 38 HD2 TYR 38 3.278 7.329 2.557
247 HE1 TYR 38 HE1 TYR 38 6.311 3.832 0.893
248 HE2 TYR 38 HE2 TYR 38 4.755 7.796 0.647
249 HH TYR 38 HH TYR 38 6.281 5.465 -1.112
250 H ALA 39 HN ALA 39 3.169 3.656 7.094
251 HA ALA 39 HA ALA 39 0.571 4.230 7.838
252 1HB ALA 39 HB1 ALA 39 2.535 3.094 9.785
253 2HB ALA 39 HB2 ALA 39 2.030 2.180 8.364
254 3HB ALA 39 HB3 ALA 39 0.834 2.689 9.556
255 H LYS 40 HN LYS 40 3.476 5.858 8.678
256 HA LYS 40 HA LYS 40 2.155 7.258 10.888
257 1HB LYS 40 HB2 LYS 40 4.621 6.204 10.849
258 2HB LYS 40 HB1 LYS 40 4.997 7.809 10.239
259 1HG LYS 40 HG2 LYS 40 4.159 8.845 12.205
260 2HG LYS 40 HG1 LYS 40 3.462 7.329 12.779
261 1HD LYS 40 HD2 LYS 40 6.413 7.776 12.354
262 2HD LYS 40 HD1 LYS 40 5.597 7.980 13.905
263 1HE LYS 40 HE2 LYS 40 5.938 5.815 14.277
264 2HE LYS 40 HE1 LYS 40 4.788 5.475 12.985
265 1HZ LYS 40 HZ1 LYS 40 7.527 6.071 12.186
266 2HZ LYS 40 HZ2 LYS 40 6.428 4.960 11.538
267 3HZ LYS 40 HZ3 LYS 40 7.270 4.586 12.956
268 H ASP 41 HN ASP 41 3.175 7.653 7.639
269 HA ASP 41 HA ASP 41 3.453 10.482 7.637
270 1HB ASP 41 HB2 ASP 41 4.429 9.012 5.894
271 2HB ASP 41 HB1 ASP 41 2.799 8.639 5.326
272 HA PRO 42 HA PRO 42 -0.925 11.370 7.789
273 1HB PRO 42 HB2 PRO 42 -0.769 14.050 7.644
274 2HB PRO 42 HB1 PRO 42 -0.294 13.165 9.099
275 1HG PRO 42 HG2 PRO 42 1.424 14.294 6.923
276 2HG PRO 42 HG1 PRO 42 1.669 14.340 8.678
277 1HD PRO 42 HD2 PRO 42 2.918 12.559 7.026
278 2HD PRO 42 HD1 PRO 42 2.559 12.227 8.732
279 H THR 43 HN THR 43 1.126 13.016 5.390
280 HA THR 43 HA THR 43 -0.884 13.822 3.637
281 HB THR 43 HB THR 43 1.300 13.194 2.012
282 HG1 THR 43 HG1 THR 43 2.314 14.236 4.428
283 1HG2 THR 43 HG21 THR 43 0.983 15.329 1.564
284 2HG2 THR 43 HG22 THR 43 1.787 15.740 3.078
285 3HG2 THR 43 HG23 THR 43 0.036 15.536 3.038
286 H TYR 44 HN TYR 44 0.854 10.757 3.854
287 HA TYR 44 HA TYR 44 -0.691 9.677 1.622
288 1HB TYR 44 HB2 TYR 44 1.660 8.633 3.193
289 2HB TYR 44 HB1 TYR 44 0.790 7.644 2.025
290 HD1 TYR 44 HD1 TYR 44 0.408 9.010 -0.315
291 HD2 TYR 44 HD2 TYR 44 3.617 9.561 2.424
292 HE1 TYR 44 HE1 TYR 44 1.789 9.932 -2.128
293 HE2 TYR 44 HE2 TYR 44 5.007 10.486 0.618
294 HH TYR 44 HH TYR 44 5.013 10.209 -2.027
295 H GLY 45 HN GLY 45 -1.608 10.253 4.533
296 1HA GLY 45 HA2 GLY 45 -2.240 7.719 5.665
297 2HA GLY 45 HA1 GLY 45 -2.945 9.263 6.120
298 H GLN 46 HN GLN 46 -3.772 9.695 3.251
299 HA GLN 46 HA GLN 46 -6.369 8.573 3.492
300 1HB GLN 46 HB2 GLN 46 -5.012 10.072 1.252
301 2HB GLN 46 HB1 GLN 46 -6.692 9.559 1.190
302 1HG GLN 46 HG2 GLN 46 -7.164 10.905 3.185
303 2HG GLN 46 HG1 GLN 46 -5.484 11.441 3.205
304 1HE2 GLN 46 HE21 GLN 46 -4.902 13.128 1.992
305 2HE2 GLN 46 HE22 GLN 46 -5.941 13.949 0.868
306 H TYR 47 HN TYR 47 -3.449 7.649 1.871
307 HA TYR 47 HA TYR 47 -4.620 5.807 0.043
308 1HB TYR 47 HB2 TYR 47 -2.273 6.951 0.023
309 2HB TYR 47 HB1 TYR 47 -1.828 5.559 1.003
310 HD1 TYR 47 HD1 TYR 47 -3.256 6.525 -2.271
311 HD2 TYR 47 HD2 TYR 47 -1.373 3.480 0.024
312 HE1 TYR 47 HE1 TYR 47 -2.959 5.181 -4.310
313 HE2 TYR 47 HE2 TYR 47 -1.071 2.126 -2.007
314 HH TYR 47 HH TYR 47 -1.345 3.327 -5.072
315 H ILE 48 HN ILE 48 -2.997 5.479 3.169
316 HA ILE 48 HA ILE 48 -3.253 2.657 3.281
317 HB ILE 48 HB ILE 48 -2.815 4.573 5.570
318 1HG1 ILE 48 HG12 ILE 48 -0.851 3.194 3.728
319 2HG1 ILE 48 HG11 ILE 48 -1.123 4.927 3.872
320 1HG2 ILE 48 HG21 ILE 48 -2.729 2.794 6.895
321 2HG2 ILE 48 HG22 ILE 48 -1.522 2.036 5.856
322 3HG2 ILE 48 HG23 ILE 48 -3.239 1.789 5.538
323 1HD1 ILE 48 HD11 ILE 48 -0.033 3.163 6.051
324 2HD1 ILE 48 HD12 ILE 48 -0.215 4.917 6.107
325 3HD1 ILE 48 HD13 ILE 48 0.931 4.184 4.984
326 H ARG 49 HN ARG 49 -5.293 5.321 4.291
327 HA ARG 49 HA ARG 49 -6.991 3.648 5.894
328 1HB ARG 49 HB2 ARG 49 -7.296 6.501 4.967
329 2HB ARG 49 HB1 ARG 49 -8.442 5.690 6.025
330 1HG ARG 49 HG2 ARG 49 -5.830 5.369 7.109
331 2HG ARG 49 HG1 ARG 49 -6.078 7.072 6.720
332 1HD ARG 49 HD2 ARG 49 -8.202 5.541 8.161
333 2HD ARG 49 HD1 ARG 49 -6.803 6.148 9.045
334 HE ARG 49 HE ARG 49 -9.007 7.672 8.060
335 1HH1 ARG 49 HH11 ARG 49 -5.597 7.813 8.787
336 2HH1 ARG 49 HH12 ARG 49 -5.596 9.525 9.049
337 1HH2 ARG 49 HH21 ARG 49 -9.009 9.923 8.406
338 2HH2 ARG 49 HH22 ARG 49 -7.534 10.723 8.833
339 H SER 50 HN SER 50 -6.614 3.081 3.009
340 HA SER 50 HA SER 50 -9.189 3.515 1.808
341 1HB SER 50 HB2 SER 50 -6.778 3.224 0.719
342 2HB SER 50 HB1 SER 50 -7.303 1.544 0.697
343 HG SER 50 HG SER 50 -8.452 3.767 -0.586
344 HA PRO 51 HA PRO 51 -11.094 -0.172 3.327
345 1HB PRO 51 HB2 PRO 51 -12.921 -0.653 1.397
346 2HB PRO 51 HB1 PRO 51 -13.069 0.703 2.521
347 1HG PRO 51 HG2 PRO 51 -12.077 0.682 -0.302
348 2HG PRO 51 HG1 PRO 51 -13.145 1.848 0.500
349 1HD PRO 51 HD2 PRO 51 -10.486 2.286 0.106
350 2HD PRO 51 HD1 PRO 51 -11.393 2.978 1.465
351 H HIS 52 HN HIS 52 -10.316 -0.252 -0.147
352 HA HIS 52 HA HIS 52 -10.091 -3.121 -0.167
353 1HB HIS 52 HB2 HIS 52 -9.083 -1.356 -2.372
354 2HB HIS 52 HB1 HIS 52 -9.807 -2.956 -2.477
355 HD1 HIS 52 HD1 HIS 52 -12.486 -2.924 -1.688
356 HD2 HIS 52 HD2 HIS 52 -10.794 0.611 -3.070
357 HE1 HIS 52 HE1 HIS 52 -14.424 -1.463 -2.345
358 HE2 HIS 52 HE2 HIS 52 -13.374 0.639 -3.255
359 H ALA 53 HN ALA 53 -7.985 -0.535 0.561
360 HA ALA 53 HA ALA 53 -5.532 -1.415 -0.323
361 1HB ALA 53 HB1 ALA 53 -6.369 0.205 2.035
362 2HB ALA 53 HB2 ALA 53 -5.494 0.705 0.587
363 3HB ALA 53 HB3 ALA 53 -4.678 -0.249 1.827
364 H ARG 54 HN ARG 54 -7.138 -2.157 2.711
365 HA ARG 54 HA ARG 54 -5.179 -3.773 3.822
366 1HB ARG 54 HB2 ARG 54 -8.160 -4.023 4.199
367 2HB ARG 54 HB1 ARG 54 -6.925 -4.651 5.281
368 1HG ARG 54 HG2 ARG 54 -6.343 -2.540 6.049
369 2HG ARG 54 HG1 ARG 54 -7.062 -1.729 4.656
370 1HD ARG 54 HD2 ARG 54 -8.467 -3.040 6.971
371 2HD ARG 54 HD1 ARG 54 -8.504 -1.341 6.501
372 HE ARG 54 HE ARG 54 -9.531 -2.575 4.338
373 1HH1 ARG 54 HH11 ARG 54 -10.275 -2.775 7.742
374 2HH1 ARG 54 HH12 ARG 54 -11.945 -3.153 7.483
375 1HH2 ARG 54 HH21 ARG 54 -11.727 -3.073 3.995
376 2HH2 ARG 54 HH22 ARG 54 -12.769 -3.323 5.356
377 H ASP 55 HN ASP 55 -7.773 -4.544 1.618
378 HA ASP 55 HA ASP 55 -7.472 -7.344 1.698
379 1HB ASP 55 HB2 ASP 55 -9.413 -5.890 0.748
380 2HB ASP 55 HB1 ASP 55 -8.454 -5.955 -0.727
381 H THR 56 HN THR 56 -6.148 -4.864 -0.373
382 HA THR 56 HA THR 56 -4.857 -6.477 -2.220
383 HB THR 56 HB THR 56 -3.661 -3.919 -1.333
384 HG1 THR 56 HG1 THR 56 -5.533 -3.012 -1.527
385 1HG2 THR 56 HG21 THR 56 -3.327 -3.511 -3.674
386 2HG2 THR 56 HG22 THR 56 -4.229 -4.971 -4.084
387 3HG2 THR 56 HG23 THR 56 -2.679 -5.096 -3.252
388 H LEU 57 HN LEU 57 -3.659 -5.096 0.813
389 HA LEU 57 HA LEU 57 -1.076 -6.104 0.656
390 1HB LEU 57 HB2 LEU 57 -2.767 -4.902 2.680
391 2HB LEU 57 HB1 LEU 57 -1.569 -6.000 3.343
392 HG LEU 57 HG LEU 57 -0.212 -4.376 1.497
393 1HD1 LEU 57 HD11 LEU 57 -0.864 -2.230 1.742
394 2HD1 LEU 57 HD12 LEU 57 -1.445 -2.480 3.388
395 3HD1 LEU 57 HD13 LEU 57 -2.434 -2.984 2.018
396 1HD2 LEU 57 HD21 LEU 57 0.465 -3.362 3.921
397 2HD2 LEU 57 HD22 LEU 57 1.120 -4.852 3.242
398 3HD2 LEU 57 HD23 LEU 57 -0.227 -4.918 4.378
399 H THR 58 HN THR 58 -3.909 -7.386 2.290
400 HA THR 58 HA THR 58 -2.707 -9.703 3.279
401 HB THR 58 HB THR 58 -5.602 -9.645 2.504
402 HG1 THR 58 HG1 THR 58 -4.520 -8.317 4.760
403 1HG2 THR 58 HG21 THR 58 -5.055 -10.370 5.213
404 2HG2 THR 58 HG22 THR 58 -4.054 -11.325 4.119
405 3HG2 THR 58 HG23 THR 58 -5.808 -11.315 3.930
406 H SER 59 HN SER 59 -4.427 -9.061 0.256
407 HA SER 59 HA SER 59 -4.560 -11.600 -0.783
408 1HB SER 59 HB2 SER 59 -5.366 -9.305 -1.713
409 2HB SER 59 HB1 SER 59 -3.806 -9.326 -2.521
410 HG SER 59 HG SER 59 -6.057 -10.705 -3.114
411 H CYS 60 HN CYS 60 -1.905 -9.398 -0.545
412 HA CYS 60 HA CYS 60 -0.114 -10.962 -2.154
413 1HB CYS 60 HB2 CYS 60 -0.205 -8.342 -1.439
414 2HB CYS 60 HB1 CYS 60 0.971 -8.952 -0.288
415 H GLY 61 HN GLY 61 -0.875 -10.548 1.253
416 1HA GLY 61 HA2 GLY 61 -0.303 -11.815 3.078
417 2HA GLY 61 HA1 GLY 61 0.272 -13.039 1.956
418 H LEU 62 HN LEU 62 1.293 -9.733 2.839
419 HA LEU 62 HA LEU 62 4.011 -10.813 3.179
420 1HB LEU 62 HB2 LEU 62 4.444 -8.143 2.927
421 2HB LEU 62 HB1 LEU 62 4.577 -9.306 1.628
422 HG LEU 62 HG LEU 62 1.885 -8.555 1.582
423 1HD1 LEU 62 HD11 LEU 62 3.579 -6.361 2.584
424 2HD1 LEU 62 HD12 LEU 62 1.843 -6.624 2.743
425 3HD1 LEU 62 HD13 LEU 62 2.501 -5.968 1.246
426 1HD2 LEU 62 HD21 LEU 62 4.208 -7.534 -0.043
427 2HD2 LEU 62 HD22 LEU 62 2.509 -7.450 -0.505
428 3HD2 LEU 62 HD23 LEU 62 3.302 -9.017 -0.341
429 H ALA 63 HN ALA 63 2.731 -7.672 4.156
430 HA ALA 63 HA ALA 63 2.735 -8.433 6.936
431 1HB ALA 63 HB1 ALA 63 4.436 -6.084 6.216
432 2HB ALA 63 HB2 ALA 63 5.108 -7.715 6.196
433 3HB ALA 63 HB3 ALA 63 4.438 -7.055 7.688
434 H VAL 64 HN VAL 64 1.882 -6.734 8.340
435 HA VAL 64 HA VAL 64 0.073 -4.964 6.888
436 HB VAL 64 HB VAL 64 -0.945 -6.756 8.325
437 1HG1 VAL 64 HG11 VAL 64 -0.956 -6.442 10.743
438 2HG1 VAL 64 HG12 VAL 64 0.154 -5.081 10.578
439 3HG1 VAL 64 HG13 VAL 64 0.681 -6.707 10.143
440 1HG2 VAL 64 HG21 VAL 64 -2.589 -5.230 9.404
441 2HG2 VAL 64 HG22 VAL 64 -2.270 -4.854 7.710
442 3HG2 VAL 64 HG23 VAL 64 -1.539 -3.876 8.984
443 HA PRO 65 HA PRO 65 2.297 -1.444 8.416
444 1HB PRO 65 HB2 PRO 65 0.147 0.289 8.679
445 2HB PRO 65 HB1 PRO 65 1.036 -0.004 7.182
446 1HG PRO 65 HG2 PRO 65 -1.537 -1.192 8.126
447 2HG PRO 65 HG1 PRO 65 -1.088 -0.634 6.502
448 1HD PRO 65 HD2 PRO 65 -1.105 -3.234 7.091
449 2HD PRO 65 HD1 PRO 65 0.167 -2.548 6.060
450 H HIS 66 HN HIS 66 1.294 0.489 10.140
451 HA HIS 66 HA HIS 66 1.111 0.954 12.362
452 1HB HIS 66 HB2 HIS 66 -0.507 -1.601 12.471
453 2HB HIS 66 HB1 HIS 66 -0.535 -0.293 13.649
454 HD1 HIS 66 HD1 HIS 66 -2.486 -1.552 11.012
455 HD2 HIS 66 HD2 HIS 66 -1.328 2.271 12.145
456 HE1 HIS 66 HE1 HIS 66 -4.134 0.004 9.926
457 HE2 HIS 66 HE2 HIS 66 -3.362 2.314 10.554
458 H CYS 67 HN CYS 67 3.344 -0.625 11.413
459 HA CYS 67 HA CYS 67 4.004 -2.779 13.051
460 1HB CYS 67 HB2 CYS 67 6.008 -0.767 12.031
461 2HB CYS 67 HB1 CYS 67 6.258 -2.482 12.340
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 8.669 6.488 1.074
2 2H ALA 1 HT2 ALA 1 8.920 7.417 2.496
3 3H ALA 1 HT3 ALA 1 9.901 6.044 2.180
4 HA ALA 1 HA ALA 1 9.783 8.320 0.346
5 1HB ALA 1 HB1 ALA 1 10.382 9.283 2.459
6 2HB ALA 1 HB2 ALA 1 11.837 9.151 1.471
7 3HB ALA 1 HB3 ALA 1 11.545 7.993 2.768
8 H CYS 2 HN CYS 2 9.887 5.529 -0.208
9 HA CYS 2 HA CYS 2 12.705 5.131 -0.949
10 1HB CYS 2 HB2 CYS 2 10.529 3.042 -1.056
11 2HB CYS 2 HB1 CYS 2 12.273 2.796 -1.071
12 H GLN 3 HN GLN 3 9.551 4.200 -2.334
13 HA GLN 3 HA GLN 3 10.059 5.611 -4.776
14 1HB GLN 3 HB2 GLN 3 10.738 2.761 -4.548
15 2HB GLN 3 HB1 GLN 3 9.693 3.147 -5.909
16 1HG GLN 3 HG2 GLN 3 11.303 4.281 -7.006
17 2HG GLN 3 HG1 GLN 3 12.034 4.897 -5.525
18 1HE2 GLN 3 HE21 GLN 3 14.108 4.338 -5.769
19 2HE2 GLN 3 HE22 GLN 3 14.678 2.723 -6.000
20 H ALA 4 HN ALA 4 8.100 6.472 -4.970
21 HA ALA 4 HA ALA 4 5.725 5.030 -4.234
22 1HB ALA 4 HB1 ALA 4 6.389 7.814 -4.951
23 2HB ALA 4 HB2 ALA 4 5.353 7.187 -3.669
24 3HB ALA 4 HB3 ALA 4 4.752 7.275 -5.324
25 H SER 5 HN SER 5 7.477 5.781 -7.126
26 HA SER 5 HA SER 5 5.381 5.407 -8.990
27 1HB SER 5 HB2 SER 5 8.297 4.881 -9.547
28 2HB SER 5 HB1 SER 5 7.057 5.448 -10.665
29 HG SER 5 HG SER 5 7.122 7.427 -9.755
30 H GLN 6 HN GLN 6 7.010 3.181 -7.014
31 HA GLN 6 HA GLN 6 6.794 0.964 -8.805
32 1HB GLN 6 HB2 GLN 6 7.570 1.170 -5.901
33 2HB GLN 6 HB1 GLN 6 7.501 -0.356 -6.773
34 1HG GLN 6 HG2 GLN 6 9.078 1.696 -8.121
35 2HG GLN 6 HG1 GLN 6 9.697 1.244 -6.534
36 1HE2 GLN 6 HE21 GLN 6 8.081 -0.606 -9.090
37 2HE2 GLN 6 HE22 GLN 6 9.331 -1.787 -9.264
38 H LEU 7 HN LEU 7 5.009 2.387 -6.193
39 HA LEU 7 HA LEU 7 3.087 0.175 -6.208
40 1HB LEU 7 HB2 LEU 7 2.812 2.452 -4.324
41 2HB LEU 7 HB1 LEU 7 2.498 0.746 -4.073
42 HG LEU 7 HG LEU 7 5.308 1.790 -4.345
43 1HD1 LEU 7 HD11 LEU 7 4.013 1.350 -1.685
44 2HD1 LEU 7 HD12 LEU 7 3.878 2.912 -2.494
45 3HD1 LEU 7 HD13 LEU 7 5.467 2.263 -2.088
46 1HD2 LEU 7 HD21 LEU 7 5.958 -0.276 -3.704
47 2HD2 LEU 7 HD22 LEU 7 4.379 -0.740 -4.339
48 3HD2 LEU 7 HD23 LEU 7 4.594 -0.486 -2.607
49 H ALA 8 HN ALA 8 3.522 3.300 -7.462
50 HA ALA 8 HA ALA 8 1.062 4.487 -7.389
51 1HB ALA 8 HB1 ALA 8 2.388 4.588 -10.014
52 2HB ALA 8 HB2 ALA 8 3.372 5.063 -8.630
53 3HB ALA 8 HB3 ALA 8 1.854 5.897 -8.961
54 H VAL 9 HN VAL 9 2.112 1.848 -9.413
55 HA VAL 9 HA VAL 9 -0.016 1.747 -11.193
56 HB VAL 9 HB VAL 9 2.038 0.443 -11.506
57 1HG1 VAL 9 HG11 VAL 9 2.432 -1.603 -10.262
58 2HG1 VAL 9 HG12 VAL 9 0.980 -1.322 -9.300
59 3HG1 VAL 9 HG13 VAL 9 2.356 -0.226 -9.163
60 1HG2 VAL 9 HG21 VAL 9 0.999 -1.111 -12.763
61 2HG2 VAL 9 HG22 VAL 9 -0.460 -0.256 -12.262
62 3HG2 VAL 9 HG23 VAL 9 0.041 -1.718 -11.411
63 H CYS 10 HN CYS 10 0.197 0.828 -7.884
64 HA CYS 10 HA CYS 10 -2.178 -0.826 -7.917
65 1HB CYS 10 HB2 CYS 10 -0.080 -0.975 -6.345
66 2HB CYS 10 HB1 CYS 10 -0.933 0.254 -5.412
67 H ALA 11 HN ALA 11 -1.235 2.418 -6.971
68 HA ALA 11 HA ALA 11 -3.381 3.295 -5.536
69 1HB ALA 11 HB1 ALA 11 -2.550 5.372 -5.828
70 2HB ALA 11 HB2 ALA 11 -2.433 5.192 -7.579
71 3HB ALA 11 HB3 ALA 11 -1.196 4.491 -6.535
72 H SER 12 HN SER 12 -3.255 2.583 -8.913
73 HA SER 12 HA SER 12 -5.364 4.001 -9.947
74 1HB SER 12 HB2 SER 12 -4.514 1.171 -10.581
75 2HB SER 12 HB1 SER 12 -5.612 2.129 -11.575
76 HG SER 12 HG SER 12 -3.025 3.040 -10.885
77 H ALA 13 HN ALA 13 -5.446 1.224 -7.838
78 HA ALA 13 HA ALA 13 -8.332 1.511 -7.647
79 1HB ALA 13 HB1 ALA 13 -8.859 -0.600 -8.244
80 2HB ALA 13 HB2 ALA 13 -7.371 -1.270 -7.575
81 3HB ALA 13 HB3 ALA 13 -7.351 -0.479 -9.151
82 H ILE 14 HN ILE 14 -5.874 2.079 -5.934
83 HA ILE 14 HA ILE 14 -6.160 0.270 -3.709
84 HB ILE 14 HB ILE 14 -4.027 1.559 -4.422
85 1HG1 ILE 14 HG12 ILE 14 -3.744 1.919 -1.693
86 2HG1 ILE 14 HG11 ILE 14 -5.035 0.726 -1.809
87 1HG2 ILE 14 HG21 ILE 14 -5.285 3.646 -2.648
88 2HG2 ILE 14 HG22 ILE 14 -5.050 3.795 -4.389
89 3HG2 ILE 14 HG23 ILE 14 -3.654 3.680 -3.318
90 1HD1 ILE 14 HD11 ILE 14 -3.669 -0.862 -2.706
91 2HD1 ILE 14 HD12 ILE 14 -2.512 0.016 -1.705
92 3HD1 ILE 14 HD13 ILE 14 -2.587 0.321 -3.441
93 H LEU 15 HN LEU 15 -7.035 3.643 -4.383
94 HA LEU 15 HA LEU 15 -8.316 3.971 -1.824
95 1HB LEU 15 HB2 LEU 15 -8.520 5.757 -4.245
96 2HB LEU 15 HB1 LEU 15 -8.891 6.181 -2.585
97 HG LEU 15 HG LEU 15 -6.250 5.375 -2.444
98 1HD1 LEU 15 HD11 LEU 15 -6.506 7.127 -4.874
99 2HD1 LEU 15 HD12 LEU 15 -6.276 5.381 -4.965
100 3HD1 LEU 15 HD13 LEU 15 -5.048 6.393 -4.206
101 1HD2 LEU 15 HD21 LEU 15 -6.851 8.239 -2.954
102 2HD2 LEU 15 HD22 LEU 15 -5.891 7.492 -1.677
103 3HD2 LEU 15 HD23 LEU 15 -7.653 7.451 -1.594
104 H SER 16 HN SER 16 -9.619 4.371 -5.121
105 HA SER 16 HA SER 16 -12.289 3.830 -4.196
106 1HB SER 16 HB2 SER 16 -11.307 4.135 -7.042
107 2HB SER 16 HB1 SER 16 -12.973 4.268 -6.478
108 HG SER 16 HG SER 16 -10.893 6.087 -6.327
109 H GLY 17 HN GLY 17 -10.330 2.318 -6.774
110 1HA GLY 17 HA2 GLY 17 -9.914 -0.094 -6.667
111 2HA GLY 17 HA1 GLY 17 -11.529 -0.268 -5.999
112 H ALA 18 HN ALA 18 -10.291 1.519 -8.820
113 HA ALA 18 HA ALA 18 -12.498 0.903 -10.439
114 1HB ALA 18 HB1 ALA 18 -9.728 1.778 -11.229
115 2HB ALA 18 HB2 ALA 18 -11.107 2.826 -10.895
116 3HB ALA 18 HB3 ALA 18 -11.130 1.761 -12.300
117 H LYS 19 HN LYS 19 -9.326 -0.556 -10.171
118 HA LYS 19 HA LYS 19 -10.163 -3.134 -10.854
119 1HB LYS 19 HB2 LYS 19 -9.075 -3.343 -13.094
120 2HB LYS 19 HB1 LYS 19 -10.525 -2.348 -13.089
121 1HG LYS 19 HG2 LYS 19 -8.105 -0.801 -12.639
122 2HG LYS 19 HG1 LYS 19 -8.088 -1.673 -14.173
123 1HD LYS 19 HD2 LYS 19 -10.250 0.201 -13.212
124 2HD LYS 19 HD1 LYS 19 -9.043 0.552 -14.450
125 1HE LYS 19 HE2 LYS 19 -9.995 -1.554 -15.621
126 2HE LYS 19 HE1 LYS 19 -11.382 -1.314 -14.560
127 1HZ LYS 19 HZ1 LYS 19 -12.032 0.513 -15.676
128 2HZ LYS 19 HZ2 LYS 19 -11.155 -0.178 -16.946
129 3HZ LYS 19 HZ3 LYS 19 -10.454 1.035 -15.998
130 HA PRO 20 HA PRO 20 -6.063 -2.952 -8.826
131 1HB PRO 20 HB2 PRO 20 -6.362 -5.333 -7.531
132 2HB PRO 20 HB1 PRO 20 -6.983 -3.802 -6.905
133 1HG PRO 20 HG2 PRO 20 -8.424 -5.968 -8.384
134 2HG PRO 20 HG1 PRO 20 -8.950 -5.037 -6.969
135 1HD PRO 20 HD2 PRO 20 -9.813 -4.475 -9.463
136 2HD PRO 20 HD1 PRO 20 -9.564 -3.211 -8.242
137 H SER 21 HN SER 21 -4.608 -5.177 -8.452
138 HA SER 21 HA SER 21 -4.657 -7.062 -10.547
139 1HB SER 21 HB2 SER 21 -3.918 -4.774 -11.635
140 2HB SER 21 HB1 SER 21 -2.358 -5.183 -10.923
141 HG SER 21 HG SER 21 -3.851 -6.632 -12.838
142 H GLY 22 HN GLY 22 -3.152 -8.687 -10.249
143 1HA GLY 22 HA2 GLY 22 -2.115 -9.047 -7.682
144 2HA GLY 22 HA1 GLY 22 -1.649 -9.981 -9.095
145 H GLU 23 HN GLU 23 -0.672 -7.556 -10.496
146 HA GLU 23 HA GLU 23 2.002 -7.702 -10.001
147 1HB GLU 23 HB2 GLU 23 0.609 -6.490 -11.857
148 2HB GLU 23 HB1 GLU 23 0.789 -5.084 -10.807
149 1HG GLU 23 HG2 GLU 23 3.331 -6.076 -10.932
150 2HG GLU 23 HG1 GLU 23 2.708 -6.388 -12.549
151 H CYS 24 HN CYS 24 -0.393 -5.779 -8.330
152 HA CYS 24 HA CYS 24 1.187 -3.932 -7.036
153 1HB CYS 24 HB2 CYS 24 -1.301 -3.987 -6.988
154 2HB CYS 24 HB1 CYS 24 -1.215 -5.336 -5.860
155 H CYS 25 HN CYS 25 0.937 -7.325 -6.500
156 HA CYS 25 HA CYS 25 2.032 -7.316 -3.851
157 1HB CYS 25 HB2 CYS 25 1.191 -9.345 -5.824
158 2HB CYS 25 HB1 CYS 25 2.495 -9.843 -4.753
159 H GLY 26 HN GLY 26 3.309 -8.151 -7.067
160 1HA GLY 26 HA2 GLY 26 5.936 -8.704 -6.231
161 2HA GLY 26 HA1 GLY 26 5.457 -8.262 -7.862
162 H ASN 27 HN ASN 27 4.358 -5.674 -7.059
163 HA ASN 27 HA ASN 27 6.685 -4.140 -7.316
164 1HB ASN 27 HB2 ASN 27 3.868 -3.338 -6.616
165 2HB ASN 27 HB1 ASN 27 5.160 -2.194 -6.964
166 1HD2 ASN 27 HD21 ASN 27 6.291 -2.593 -9.089
167 2HD2 ASN 27 HD22 ASN 27 5.285 -2.989 -10.436
168 H LEU 28 HN LEU 28 4.334 -4.099 -4.698
169 HA LEU 28 HA LEU 28 5.787 -2.647 -2.880
170 1HB LEU 28 HB2 LEU 28 4.267 -3.282 -1.261
171 2HB LEU 28 HB1 LEU 28 3.364 -3.528 -2.744
172 HG LEU 28 HG LEU 28 4.362 -5.979 -2.491
173 1HD1 LEU 28 HD11 LEU 28 4.007 -6.412 0.087
174 2HD1 LEU 28 HD12 LEU 28 4.575 -4.747 0.200
175 3HD1 LEU 28 HD13 LEU 28 5.585 -5.973 -0.568
176 1HD2 LEU 28 HD21 LEU 28 2.043 -5.658 -2.715
177 2HD2 LEU 28 HD22 LEU 28 1.935 -4.789 -1.184
178 3HD2 LEU 28 HD23 LEU 28 2.245 -6.525 -1.192
179 H ARG 29 HN ARG 29 6.139 -5.953 -3.802
180 HA ARG 29 HA ARG 29 7.561 -6.986 -1.681
181 1HB ARG 29 HB2 ARG 29 6.918 -7.784 -4.310
182 2HB ARG 29 HB1 ARG 29 8.658 -7.973 -4.141
183 1HG ARG 29 HG2 ARG 29 8.393 -9.823 -2.962
184 2HG ARG 29 HG1 ARG 29 7.357 -8.983 -1.810
185 1HD ARG 29 HD2 ARG 29 5.730 -9.324 -4.014
186 2HD ARG 29 HD1 ARG 29 6.658 -10.823 -3.945
187 HE ARG 29 HE ARG 29 5.534 -9.988 -1.424
188 1HH1 ARG 29 HH11 ARG 29 5.012 -11.825 -4.348
189 2HH1 ARG 29 HH12 ARG 29 3.833 -12.870 -3.629
190 1HH2 ARG 29 HH21 ARG 29 3.985 -11.368 -0.479
191 2HH2 ARG 29 HH22 ARG 29 3.248 -12.609 -1.435
192 H ALA 30 HN ALA 30 8.679 -5.149 -4.444
193 HA ALA 30 HA ALA 30 11.410 -5.317 -4.040
194 1HB ALA 30 HB1 ALA 30 11.636 -3.558 -5.527
195 2HB ALA 30 HB2 ALA 30 10.181 -2.749 -4.946
196 3HB ALA 30 HB3 ALA 30 10.047 -4.195 -5.947
197 H GLN 31 HN GLN 31 8.989 -3.652 -2.263
198 HA GLN 31 HA GLN 31 10.800 -1.846 -0.925
199 1HB GLN 31 HB2 GLN 31 8.069 -2.444 0.130
200 2HB GLN 31 HB1 GLN 31 8.943 -0.920 0.094
201 1HG GLN 31 HG2 GLN 31 8.529 -1.626 -2.582
202 2HG GLN 31 HG1 GLN 31 7.016 -1.962 -1.744
203 1HE2 GLN 31 HE21 GLN 31 9.294 0.471 -2.692
204 2HE2 GLN 31 HE22 GLN 31 8.291 1.840 -2.330
205 H GLN 32 HN GLN 32 8.572 -4.257 0.445
206 HA GLN 32 HA GLN 32 8.721 -5.539 2.316
207 1HB GLN 32 HB2 GLN 32 10.475 -6.393 0.478
208 2HB GLN 32 HB1 GLN 32 11.562 -6.117 1.834
209 1HG GLN 32 HG2 GLN 32 10.942 -8.042 2.726
210 2HG GLN 32 HG1 GLN 32 9.282 -7.455 2.820
211 1HE2 GLN 32 HE21 GLN 32 7.966 -7.707 0.868
212 2HE2 GLN 32 HE22 GLN 32 8.198 -9.115 -0.103
213 H GLY 33 HN GLY 33 9.719 -2.671 2.461
214 1HA GLY 33 HA2 GLY 33 10.370 -2.672 5.206
215 2HA GLY 33 HA1 GLY 33 11.836 -2.441 4.264
216 H CYS 34 HN CYS 34 8.782 -1.257 3.097
217 HA CYS 34 HA CYS 34 9.460 1.420 3.900
218 1HB CYS 34 HB2 CYS 34 10.128 0.719 1.497
219 2HB CYS 34 HB1 CYS 34 8.417 0.931 1.192
220 H PHE 35 HN PHE 35 7.029 -0.766 2.703
221 HA PHE 35 HA PHE 35 4.826 0.915 2.742
222 1HB PHE 35 HB2 PHE 35 3.549 -1.266 3.336
223 2HB PHE 35 HB1 PHE 35 4.333 -1.122 1.772
224 HD1 PHE 35 HD1 PHE 35 4.513 -2.649 5.110
225 HD2 PHE 35 HD2 PHE 35 6.121 -2.613 1.164
226 HE1 PHE 35 HE1 PHE 35 5.657 -4.777 5.557
227 HE2 PHE 35 HE2 PHE 35 7.259 -4.734 1.613
228 HZ PHE 35 HZ PHE 35 7.037 -5.821 3.808
229 H CYS 36 HN CYS 36 5.948 -1.218 5.269
230 HA CYS 36 HA CYS 36 4.082 -0.623 7.228
231 1HB CYS 36 HB2 CYS 36 6.082 -2.364 7.119
232 2HB CYS 36 HB1 CYS 36 6.902 -1.122 8.058
233 H GLN 37 HN GLN 37 7.267 0.864 6.705
234 HA GLN 37 HA GLN 37 7.018 2.705 8.811
235 1HB GLN 37 HB2 GLN 37 9.010 3.729 7.992
236 2HB GLN 37 HB1 GLN 37 9.176 1.994 7.764
237 1HG GLN 37 HG2 GLN 37 8.758 2.181 5.434
238 2HG GLN 37 HG1 GLN 37 8.292 3.873 5.591
239 1HE2 GLN 37 HE21 GLN 37 10.329 2.752 3.891
240 2HE2 GLN 37 HE22 GLN 37 11.825 3.477 4.356
241 H TYR 38 HN TYR 38 5.904 2.702 5.554
242 HA TYR 38 HA TYR 38 5.585 5.449 5.109
243 1HB TYR 38 HB2 TYR 38 4.730 2.985 3.867
244 2HB TYR 38 HB1 TYR 38 3.421 4.162 3.852
245 HD1 TYR 38 HD1 TYR 38 6.078 2.957 2.009
246 HD2 TYR 38 HD2 TYR 38 4.318 6.645 3.194
247 HE1 TYR 38 HE1 TYR 38 7.108 4.064 0.070
248 HE2 TYR 38 HE2 TYR 38 5.343 7.762 1.258
249 HH TYR 38 HH TYR 38 6.821 6.022 -1.300
250 H ALA 39 HN ALA 39 3.760 3.191 7.014
251 HA ALA 39 HA ALA 39 1.319 4.464 7.220
252 1HB ALA 39 HB1 ALA 39 0.849 3.010 8.907
253 2HB ALA 39 HB2 ALA 39 2.434 3.198 9.656
254 3HB ALA 39 HB3 ALA 39 2.255 2.203 8.212
255 H LYS 40 HN LYS 40 4.361 5.456 8.445
256 HA LYS 40 HA LYS 40 3.200 7.223 10.442
257 1HB LYS 40 HB2 LYS 40 5.453 5.870 10.581
258 2HB LYS 40 HB1 LYS 40 6.099 7.256 9.715
259 1HG LYS 40 HG2 LYS 40 6.309 8.331 11.634
260 2HG LYS 40 HG1 LYS 40 4.558 8.274 11.843
261 1HD LYS 40 HD2 LYS 40 6.501 6.132 12.708
262 2HD LYS 40 HD1 LYS 40 5.745 7.321 13.770
263 1HE LYS 40 HE2 LYS 40 3.951 5.688 12.069
264 2HE LYS 40 HE1 LYS 40 4.757 4.867 13.405
265 1HZ LYS 40 HZ1 LYS 40 2.700 6.931 13.461
266 2HZ LYS 40 HZ2 LYS 40 3.887 7.015 14.664
267 3HZ LYS 40 HZ3 LYS 40 2.947 5.618 14.501
268 H ASP 41 HN ASP 41 4.345 7.316 7.202
269 HA ASP 41 HA ASP 41 4.966 10.069 7.025
270 1HB ASP 41 HB2 ASP 41 5.782 8.501 5.365
271 2HB ASP 41 HB1 ASP 41 4.130 8.086 4.899
272 HA PRO 42 HA PRO 42 0.630 11.337 7.010
273 1HB PRO 42 HB2 PRO 42 0.973 13.783 7.957
274 2HB PRO 42 HB1 PRO 42 1.274 12.384 9.000
275 1HG PRO 42 HG2 PRO 42 3.229 14.110 7.533
276 2HG PRO 42 HG1 PRO 42 3.324 13.471 9.184
277 1HD PRO 42 HD2 PRO 42 4.555 12.350 6.955
278 2HD PRO 42 HD1 PRO 42 4.220 11.496 8.475
279 H THR 43 HN THR 43 0.043 11.506 4.878
280 HA THR 43 HA THR 43 0.075 14.053 3.661
281 HB THR 43 HB THR 43 1.364 12.516 1.652
282 HG1 THR 43 HG1 THR 43 2.267 11.367 3.454
283 1HG2 THR 43 HG21 THR 43 3.147 14.265 1.894
284 2HG2 THR 43 HG22 THR 43 2.189 14.940 3.212
285 3HG2 THR 43 HG23 THR 43 1.519 14.866 1.582
286 H TYR 44 HN TYR 44 -0.161 10.570 3.043
287 HA TYR 44 HA TYR 44 -2.091 10.883 0.951
288 1HB TYR 44 HB2 TYR 44 -1.181 8.466 2.520
289 2HB TYR 44 HB1 TYR 44 -2.329 8.390 1.187
290 HD1 TYR 44 HD1 TYR 44 -1.564 8.189 -1.011
291 HD2 TYR 44 HD2 TYR 44 1.138 9.454 2.022
292 HE1 TYR 44 HE1 TYR 44 0.298 8.024 -2.609
293 HE2 TYR 44 HE2 TYR 44 3.007 9.293 0.432
294 HH TYR 44 HH TYR 44 3.584 8.210 -1.629
295 H GLY 45 HN GLY 45 -2.355 9.353 4.172
296 1HA GLY 45 HA2 GLY 45 -4.141 9.151 5.601
297 2HA GLY 45 HA1 GLY 45 -4.653 10.715 4.984
298 H GLN 46 HN GLN 46 -4.306 7.899 2.946
299 HA GLN 46 HA GLN 46 -7.042 7.122 3.062
300 1HB GLN 46 HB2 GLN 46 -6.432 9.306 1.400
301 2HB GLN 46 HB1 GLN 46 -6.646 7.931 0.325
302 1HG GLN 46 HG2 GLN 46 -8.855 7.678 0.857
303 2HG GLN 46 HG1 GLN 46 -8.666 8.399 2.455
304 1HE2 GLN 46 HE21 GLN 46 -10.470 8.905 0.073
305 2HE2 GLN 46 HE22 GLN 46 -10.365 10.620 -0.173
306 H TYR 47 HN TYR 47 -4.032 7.117 1.215
307 HA TYR 47 HA TYR 47 -4.462 4.813 -0.297
308 1HB TYR 47 HB2 TYR 47 -2.546 6.581 -0.362
309 2HB TYR 47 HB1 TYR 47 -1.770 5.469 0.757
310 HD1 TYR 47 HD1 TYR 47 -2.005 2.883 -0.093
311 HD2 TYR 47 HD2 TYR 47 -1.906 6.351 -2.557
312 HE1 TYR 47 HE1 TYR 47 -1.215 1.515 -1.977
313 HE2 TYR 47 HE2 TYR 47 -1.118 4.992 -4.447
314 HH TYR 47 HH TYR 47 0.199 2.067 -4.188
315 H ILE 48 HN ILE 48 -2.732 5.163 2.785
316 HA ILE 48 HA ILE 48 -2.445 2.349 3.129
317 HB ILE 48 HB ILE 48 -2.110 4.512 5.205
318 1HG1 ILE 48 HG12 ILE 48 -0.170 3.345 3.203
319 2HG1 ILE 48 HG11 ILE 48 -0.668 5.027 3.352
320 1HG2 ILE 48 HG21 ILE 48 -2.166 1.785 5.542
321 2HG2 ILE 48 HG22 ILE 48 -1.393 2.942 6.626
322 3HG2 ILE 48 HG23 ILE 48 -0.443 2.127 5.383
323 1HD1 ILE 48 HD11 ILE 48 0.450 5.125 5.545
324 2HD1 ILE 48 HD12 ILE 48 1.554 4.749 4.222
325 3HD1 ILE 48 HD13 ILE 48 1.007 3.469 5.306
326 H ARG 49 HN ARG 49 -4.497 4.822 4.668
327 HA ARG 49 HA ARG 49 -5.896 2.836 6.209
328 1HB ARG 49 HB2 ARG 49 -6.768 5.691 5.834
329 2HB ARG 49 HB1 ARG 49 -7.104 4.622 7.188
330 1HG ARG 49 HG2 ARG 49 -4.743 4.688 7.824
331 2HG ARG 49 HG1 ARG 49 -4.414 5.771 6.471
332 1HD ARG 49 HD2 ARG 49 -6.291 6.347 8.762
333 2HD ARG 49 HD1 ARG 49 -4.654 6.981 8.600
334 HE ARG 49 HE ARG 49 -6.343 7.573 6.354
335 1HH1 ARG 49 HH11 ARG 49 -5.357 8.611 9.537
336 2HH1 ARG 49 HH12 ARG 49 -5.776 10.269 9.262
337 1HH2 ARG 49 HH21 ARG 49 -6.896 9.751 5.991
338 2HH2 ARG 49 HH22 ARG 49 -6.651 10.916 7.250
339 H SER 50 HN SER 50 -5.992 2.603 3.304
340 HA SER 50 HA SER 50 -8.677 3.247 2.516
341 1HB SER 50 HB2 SER 50 -6.423 2.956 1.106
342 2HB SER 50 HB1 SER 50 -7.077 1.328 0.969
343 HG SER 50 HG SER 50 -8.608 3.631 0.406
344 HA PRO 51 HA PRO 51 -10.557 -0.507 3.887
345 1HB PRO 51 HB2 PRO 51 -12.601 -0.757 2.139
346 2HB PRO 51 HB1 PRO 51 -12.573 0.493 3.388
347 1HG PRO 51 HG2 PRO 51 -11.897 0.703 0.480
348 2HG PRO 51 HG1 PRO 51 -12.825 1.820 1.498
349 1HD PRO 51 HD2 PRO 51 -10.210 2.217 0.848
350 2HD PRO 51 HD1 PRO 51 -10.935 2.805 2.357
351 H HIS 52 HN HIS 52 -10.093 -0.280 0.368
352 HA HIS 52 HA HIS 52 -10.032 -3.138 0.052
353 1HB HIS 52 HB2 HIS 52 -9.118 -1.184 -2.037
354 2HB HIS 52 HB1 HIS 52 -9.881 -2.755 -2.256
355 HD1 HIS 52 HD1 HIS 52 -12.492 -2.741 -1.178
356 HD2 HIS 52 HD2 HIS 52 -10.840 0.838 -2.494
357 HE1 HIS 52 HE1 HIS 52 -14.441 -1.198 -1.555
358 HE2 HIS 52 HE2 HIS 52 -13.413 0.986 -2.274
359 H ALA 53 HN ALA 53 -7.717 -0.620 0.545
360 HA ALA 53 HA ALA 53 -5.427 -1.776 -0.490
361 1HB ALA 53 HB1 ALA 53 -4.189 -0.362 1.124
362 2HB ALA 53 HB2 ALA 53 -5.730 0.042 1.882
363 3HB ALA 53 HB3 ALA 53 -5.418 0.515 0.212
364 H ARG 54 HN ARG 54 -6.669 -1.942 2.797
365 HA ARG 54 HA ARG 54 -4.745 -3.566 3.913
366 1HB ARG 54 HB2 ARG 54 -7.120 -2.449 4.758
367 2HB ARG 54 HB1 ARG 54 -7.432 -4.175 4.876
368 1HG ARG 54 HG2 ARG 54 -5.650 -4.494 6.388
369 2HG ARG 54 HG1 ARG 54 -4.999 -2.885 6.070
370 1HD ARG 54 HD2 ARG 54 -6.263 -3.181 8.243
371 2HD ARG 54 HD1 ARG 54 -6.760 -1.831 7.226
372 HE ARG 54 HE ARG 54 -8.492 -3.656 6.434
373 1HH1 ARG 54 HH11 ARG 54 -7.438 -2.897 9.679
374 2HH1 ARG 54 HH12 ARG 54 -8.927 -3.392 10.407
375 1HH2 ARG 54 HH21 ARG 54 -10.448 -4.301 7.397
376 2HH2 ARG 54 HH22 ARG 54 -10.635 -4.187 9.115
377 H ASP 55 HN ASP 55 -7.445 -4.401 1.899
378 HA ASP 55 HA ASP 55 -7.356 -7.193 2.359
379 1HB ASP 55 HB2 ASP 55 -9.249 -5.729 1.326
380 2HB ASP 55 HB1 ASP 55 -8.381 -6.046 -0.172
381 H THR 56 HN THR 56 -5.975 -5.068 -0.038
382 HA THR 56 HA THR 56 -4.895 -6.977 -1.738
383 HB THR 56 HB THR 56 -3.492 -4.423 -1.228
384 HG1 THR 56 HG1 THR 56 -5.922 -4.610 -2.653
385 1HG2 THR 56 HG21 THR 56 -3.379 -4.320 -3.670
386 2HG2 THR 56 HG22 THR 56 -4.228 -5.864 -3.753
387 3HG2 THR 56 HG23 THR 56 -2.626 -5.776 -3.021
388 H LEU 57 HN LEU 57 -3.433 -5.293 1.019
389 HA LEU 57 HA LEU 57 -0.942 -6.502 0.894
390 1HB LEU 57 HB2 LEU 57 -2.423 -4.897 2.775
391 2HB LEU 57 HB1 LEU 57 -1.375 -6.049 3.584
392 HG LEU 57 HG LEU 57 0.112 -4.812 1.508
393 1HD1 LEU 57 HD11 LEU 57 -0.034 -2.481 2.801
394 2HD1 LEU 57 HD12 LEU 57 -1.712 -3.001 2.956
395 3HD1 LEU 57 HD13 LEU 57 -0.982 -2.842 1.359
396 1HD2 LEU 57 HD21 LEU 57 0.608 -5.752 3.954
397 2HD2 LEU 57 HD22 LEU 57 0.528 -4.031 4.328
398 3HD2 LEU 57 HD23 LEU 57 1.681 -4.621 3.131
399 H THR 58 HN THR 58 -3.765 -7.367 2.798
400 HA THR 58 HA THR 58 -2.690 -9.621 4.034
401 HB THR 58 HB THR 58 -5.591 -9.216 3.301
402 HG1 THR 58 HG1 THR 58 -5.069 -7.412 4.396
403 1HG2 THR 58 HG21 THR 58 -5.401 -11.360 4.211
404 2HG2 THR 58 HG22 THR 58 -5.912 -10.336 5.553
405 3HG2 THR 58 HG23 THR 58 -4.226 -10.838 5.418
406 H SER 59 HN SER 59 -4.500 -9.278 1.009
407 HA SER 59 HA SER 59 -4.793 -11.915 0.305
408 1HB SER 59 HB2 SER 59 -5.514 -9.709 -0.880
409 2HB SER 59 HB1 SER 59 -3.991 -9.920 -1.729
410 HG SER 59 HG SER 59 -4.705 -11.843 -2.551
411 H CYS 60 HN CYS 60 -2.024 -9.858 0.219
412 HA CYS 60 HA CYS 60 -0.361 -11.665 -1.263
413 1HB CYS 60 HB2 CYS 60 -0.320 -8.979 -0.763
414 2HB CYS 60 HB1 CYS 60 0.896 -9.561 0.360
415 H GLY 61 HN GLY 61 -0.952 -10.817 2.109
416 1HA GLY 61 HA2 GLY 61 -0.405 -11.927 4.044
417 2HA GLY 61 HA1 GLY 61 0.069 -13.295 3.047
418 H LEU 62 HN LEU 62 1.267 -9.977 3.617
419 HA LEU 62 HA LEU 62 3.944 -11.155 3.962
420 1HB LEU 62 HB2 LEU 62 4.489 -8.550 3.389
421 2HB LEU 62 HB1 LEU 62 4.546 -9.869 2.242
422 HG LEU 62 HG LEU 62 1.886 -9.016 2.155
423 1HD1 LEU 62 HD11 LEU 62 2.578 -6.520 1.493
424 2HD1 LEU 62 HD12 LEU 62 3.703 -6.787 2.824
425 3HD1 LEU 62 HD13 LEU 62 1.967 -6.960 3.087
426 1HD2 LEU 62 HD21 LEU 62 2.551 -8.133 -0.061
427 2HD2 LEU 62 HD22 LEU 62 3.148 -9.762 0.251
428 3HD2 LEU 62 HD23 LEU 62 4.240 -8.384 0.383
429 H ALA 63 HN ALA 63 2.642 -7.918 4.656
430 HA ALA 63 HA ALA 63 2.929 -8.370 7.492
431 1HB ALA 63 HB1 ALA 63 5.143 -7.499 6.291
432 2HB ALA 63 HB2 ALA 63 4.690 -7.013 7.925
433 3HB ALA 63 HB3 ALA 63 4.344 -5.950 6.561
434 H VAL 64 HN VAL 64 2.750 -5.863 8.467
435 HA VAL 64 HA VAL 64 0.602 -4.470 7.138
436 HB VAL 64 HB VAL 64 0.314 -5.547 9.901
437 1HG1 VAL 64 HG11 VAL 64 -1.830 -4.518 10.004
438 2HG1 VAL 64 HG12 VAL 64 -1.737 -4.033 8.311
439 3HG1 VAL 64 HG13 VAL 64 -0.680 -3.278 9.504
440 1HG2 VAL 64 HG21 VAL 64 -0.798 -6.396 7.276
441 2HG2 VAL 64 HG22 VAL 64 -1.747 -6.640 8.741
442 3HG2 VAL 64 HG23 VAL 64 -0.152 -7.378 8.590
443 HA PRO 65 HA PRO 65 2.843 -0.962 8.679
444 1HB PRO 65 HB2 PRO 65 0.729 0.810 8.875
445 2HB PRO 65 HB1 PRO 65 1.615 0.464 7.388
446 1HG PRO 65 HG2 PRO 65 -0.981 -0.659 8.355
447 2HG PRO 65 HG1 PRO 65 -0.529 -0.130 6.723
448 1HD PRO 65 HD2 PRO 65 -0.584 -2.722 7.352
449 2HD PRO 65 HD1 PRO 65 0.690 -2.069 6.301
450 H HIS 66 HN HIS 66 1.845 0.997 10.363
451 HA HIS 66 HA HIS 66 1.587 1.497 12.567
452 1HB HIS 66 HB2 HIS 66 -0.114 -0.997 12.447
453 2HB HIS 66 HB1 HIS 66 0.003 0.027 13.875
454 HD1 HIS 66 HD1 HIS 66 -1.756 -0.317 10.688
455 HD2 HIS 66 HD2 HIS 66 -1.045 2.702 13.448
456 HE1 HIS 66 HE1 HIS 66 -3.428 1.485 10.166
457 HE2 HIS 66 HE2 HIS 66 -2.920 3.338 11.789
458 H CYS 67 HN CYS 67 3.896 0.024 11.769
459 HA CYS 67 HA CYS 67 4.387 -1.728 14.075
460 1HB CYS 67 HB2 CYS 67 6.435 -2.415 12.781
461 2HB CYS 67 HB1 CYS 67 4.905 -2.817 12.009
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 16.594 3.989 -3.234
2 2H ALA 1 HT2 ALA 1 15.886 2.431 -3.366
3 3H ALA 1 HT3 ALA 1 17.422 2.619 -2.623
4 HA ALA 1 HA ALA 1 15.836 2.293 -0.956
5 1HB ALA 1 HB1 ALA 1 15.925 4.787 -0.001
6 2HB ALA 1 HB2 ALA 1 17.127 4.932 -1.284
7 3HB ALA 1 HB3 ALA 1 17.327 3.717 -0.021
8 H CYS 2 HN CYS 2 13.836 1.855 -2.186
9 HA CYS 2 HA CYS 2 11.612 2.167 -2.536
10 1HB CYS 2 HB2 CYS 2 11.752 4.609 -0.780
11 2HB CYS 2 HB1 CYS 2 10.405 3.499 -1.006
12 H GLN 3 HN GLN 3 11.313 2.712 -4.608
13 HA GLN 3 HA GLN 3 12.212 5.075 -5.833
14 1HB GLN 3 HB2 GLN 3 9.855 3.464 -6.792
15 2HB GLN 3 HB1 GLN 3 11.009 4.381 -7.751
16 1HG GLN 3 HG2 GLN 3 12.669 2.626 -6.565
17 2HG GLN 3 HG1 GLN 3 11.196 1.661 -6.648
18 1HE2 GLN 3 HE21 GLN 3 10.595 0.801 -8.546
19 2HE2 GLN 3 HE22 GLN 3 11.424 1.044 -10.042
20 H ALA 4 HN ALA 4 9.444 4.440 -3.887
21 HA ALA 4 HA ALA 4 7.845 5.828 -3.044
22 1HB ALA 4 HB1 ALA 4 8.998 8.098 -4.636
23 2HB ALA 4 HB2 ALA 4 9.744 7.520 -3.147
24 3HB ALA 4 HB3 ALA 4 8.100 8.159 -3.119
25 H SER 5 HN SER 5 8.001 4.740 -6.036
26 HA SER 5 HA SER 5 5.376 5.834 -6.735
27 1HB SER 5 HB2 SER 5 7.556 6.757 -8.036
28 2HB SER 5 HB1 SER 5 7.197 5.337 -9.019
29 HG SER 5 HG SER 5 5.159 6.152 -9.415
30 H GLN 6 HN GLN 6 6.813 3.201 -5.809
31 HA GLN 6 HA GLN 6 6.132 1.367 -7.878
32 1HB GLN 6 HB2 GLN 6 7.059 0.963 -5.039
33 2HB GLN 6 HB1 GLN 6 6.768 -0.355 -6.166
34 1HG GLN 6 HG2 GLN 6 8.426 1.116 -7.654
35 2HG GLN 6 HG1 GLN 6 8.981 1.593 -6.051
36 1HE2 GLN 6 HE21 GLN 6 8.288 -1.225 -8.060
37 2HE2 GLN 6 HE22 GLN 6 9.486 -2.249 -7.351
38 H LEU 7 HN LEU 7 4.539 2.799 -5.212
39 HA LEU 7 HA LEU 7 2.486 0.723 -5.118
40 1HB LEU 7 HB2 LEU 7 2.423 3.204 -3.452
41 2HB LEU 7 HB1 LEU 7 1.807 1.604 -3.082
42 HG LEU 7 HG LEU 7 4.762 2.081 -3.320
43 1HD1 LEU 7 HD11 LEU 7 3.828 3.738 -1.733
44 2HD1 LEU 7 HD12 LEU 7 4.895 2.558 -0.971
45 3HD1 LEU 7 HD13 LEU 7 3.146 2.407 -0.799
46 1HD2 LEU 7 HD21 LEU 7 2.963 -0.057 -2.403
47 2HD2 LEU 7 HD22 LEU 7 4.359 0.249 -1.371
48 3HD2 LEU 7 HD23 LEU 7 4.593 -0.149 -3.073
49 H ALA 8 HN ALA 8 3.075 3.777 -6.541
50 HA ALA 8 HA ALA 8 0.653 5.024 -6.650
51 1HB ALA 8 HB1 ALA 8 1.357 6.033 -8.726
52 2HB ALA 8 HB2 ALA 8 2.555 4.761 -8.964
53 3HB ALA 8 HB3 ALA 8 2.734 5.902 -7.632
54 H VAL 9 HN VAL 9 1.793 2.596 -8.932
55 HA VAL 9 HA VAL 9 -0.440 2.399 -10.530
56 HB VAL 9 HB VAL 9 1.681 1.304 -11.072
57 1HG1 VAL 9 HG11 VAL 9 1.075 -0.999 -9.299
58 2HG1 VAL 9 HG12 VAL 9 1.800 0.436 -8.574
59 3HG1 VAL 9 HG13 VAL 9 2.625 -0.399 -9.890
60 1HG2 VAL 9 HG21 VAL 9 0.233 -1.127 -11.226
61 2HG2 VAL 9 HG22 VAL 9 0.473 0.086 -12.482
62 3HG2 VAL 9 HG23 VAL 9 -0.920 0.194 -11.407
63 H CYS 10 HN CYS 10 0.053 1.235 -7.327
64 HA CYS 10 HA CYS 10 -2.091 -0.676 -7.324
65 1HB CYS 10 HB2 CYS 10 0.020 -0.471 -5.771
66 2HB CYS 10 HB1 CYS 10 -1.021 0.593 -4.832
67 H ALA 11 HN ALA 11 -1.686 2.693 -6.639
68 HA ALA 11 HA ALA 11 -3.746 3.413 -5.042
69 1HB ALA 11 HB1 ALA 11 -3.378 5.005 -7.530
70 2HB ALA 11 HB2 ALA 11 -2.024 4.837 -6.412
71 3HB ALA 11 HB3 ALA 11 -3.541 5.547 -5.860
72 H SER 12 HN SER 12 -3.969 2.276 -8.304
73 HA SER 12 HA SER 12 -6.480 3.069 -9.078
74 1HB SER 12 HB2 SER 12 -4.670 1.555 -10.257
75 2HB SER 12 HB1 SER 12 -5.660 0.244 -9.617
76 HG SER 12 HG SER 12 -7.462 1.259 -10.678
77 H ALA 13 HN ALA 13 -5.591 0.630 -6.748
78 HA ALA 13 HA ALA 13 -8.341 -0.249 -6.468
79 1HB ALA 13 HB1 ALA 13 -5.709 -1.341 -5.697
80 2HB ALA 13 HB2 ALA 13 -7.130 -2.157 -6.348
81 3HB ALA 13 HB3 ALA 13 -7.069 -1.720 -4.641
82 H ILE 14 HN ILE 14 -5.915 1.631 -4.817
83 HA ILE 14 HA ILE 14 -7.293 1.718 -2.303
84 HB ILE 14 HB ILE 14 -5.020 3.371 -3.410
85 1HG1 ILE 14 HG12 ILE 14 -3.924 2.102 -1.369
86 2HG1 ILE 14 HG11 ILE 14 -5.253 0.976 -1.633
87 1HG2 ILE 14 HG21 ILE 14 -4.904 3.790 -0.741
88 2HG2 ILE 14 HG22 ILE 14 -6.649 3.747 -0.992
89 3HG2 ILE 14 HG23 ILE 14 -5.657 4.899 -1.886
90 1HD1 ILE 14 HD11 ILE 14 -2.816 0.929 -2.893
91 2HD1 ILE 14 HD12 ILE 14 -3.874 1.672 -4.092
92 3HD1 ILE 14 HD13 ILE 14 -4.274 0.091 -3.422
93 H LEU 15 HN LEU 15 -6.502 4.367 -4.558
94 HA LEU 15 HA LEU 15 -8.489 6.091 -3.509
95 1HB LEU 15 HB2 LEU 15 -6.870 6.170 -6.047
96 2HB LEU 15 HB1 LEU 15 -8.002 7.434 -5.605
97 HG LEU 15 HG LEU 15 -5.691 6.621 -3.851
98 1HD1 LEU 15 HD11 LEU 15 -5.819 8.886 -5.836
99 2HD1 LEU 15 HD12 LEU 15 -4.855 7.419 -6.012
100 3HD1 LEU 15 HD13 LEU 15 -4.502 8.555 -4.710
101 1HD2 LEU 15 HD21 LEU 15 -7.492 9.038 -3.898
102 2HD2 LEU 15 HD22 LEU 15 -6.093 8.834 -2.845
103 3HD2 LEU 15 HD23 LEU 15 -7.480 7.757 -2.686
104 H SER 16 HN SER 16 -8.337 5.105 -6.917
105 HA SER 16 HA SER 16 -10.991 5.558 -7.511
106 1HB SER 16 HB2 SER 16 -9.268 5.148 -9.218
107 2HB SER 16 HB1 SER 16 -9.188 3.455 -8.733
108 HG SER 16 HG SER 16 -11.419 3.298 -9.332
109 H GLY 17 HN GLY 17 -9.552 2.355 -6.850
110 1HA GLY 17 HA2 GLY 17 -10.532 0.754 -5.388
111 2HA GLY 17 HA1 GLY 17 -12.077 1.569 -5.577
112 H ALA 18 HN ALA 18 -10.040 0.824 -8.309
113 HA ALA 18 HA ALA 18 -12.060 -0.472 -9.736
114 1HB ALA 18 HB1 ALA 18 -9.160 -0.074 -10.073
115 2HB ALA 18 HB2 ALA 18 -10.486 0.231 -11.195
116 3HB ALA 18 HB3 ALA 18 -9.877 -1.409 -10.974
117 H LYS 19 HN LYS 19 -9.067 -2.114 -8.925
118 HA LYS 19 HA LYS 19 -10.179 -4.161 -7.356
119 1HB LYS 19 HB2 LYS 19 -9.795 -5.984 -9.193
120 2HB LYS 19 HB1 LYS 19 -11.322 -5.118 -9.121
121 1HG LYS 19 HG2 LYS 19 -10.725 -5.187 -11.391
122 2HG LYS 19 HG1 LYS 19 -10.366 -3.545 -10.853
123 1HD LYS 19 HD2 LYS 19 -8.049 -3.958 -10.798
124 2HD LYS 19 HD1 LYS 19 -8.277 -5.706 -10.877
125 1HE LYS 19 HE2 LYS 19 -8.903 -5.624 -13.147
126 2HE LYS 19 HE1 LYS 19 -9.142 -3.878 -13.099
127 1HZ LYS 19 HZ1 LYS 19 -6.862 -3.492 -13.078
128 2HZ LYS 19 HZ2 LYS 19 -7.028 -4.762 -14.182
129 3HZ LYS 19 HZ3 LYS 19 -6.485 -5.074 -12.611
130 HA PRO 20 HA PRO 20 -5.966 -4.945 -6.385
131 1HB PRO 20 HB2 PRO 20 -6.579 -7.847 -6.650
132 2HB PRO 20 HB1 PRO 20 -5.861 -6.968 -5.296
133 1HG PRO 20 HG2 PRO 20 -8.390 -7.791 -5.189
134 2HG PRO 20 HG1 PRO 20 -7.915 -6.218 -4.521
135 1HD PRO 20 HD2 PRO 20 -9.342 -6.846 -7.068
136 2HD PRO 20 HD1 PRO 20 -9.566 -5.481 -5.954
137 H SER 21 HN SER 21 -4.097 -6.528 -7.114
138 HA SER 21 HA SER 21 -4.120 -7.591 -9.716
139 1HB SER 21 HB2 SER 21 -3.430 -4.711 -9.455
140 2HB SER 21 HB1 SER 21 -2.409 -5.685 -10.512
141 HG SER 21 HG SER 21 -4.084 -4.914 -11.742
142 H GLY 22 HN GLY 22 -2.366 -8.862 -10.010
143 1HA GLY 22 HA2 GLY 22 -0.639 -9.422 -7.893
144 2HA GLY 22 HA1 GLY 22 -0.381 -9.919 -9.558
145 H GLU 23 HN GLU 23 -0.353 -7.057 -10.434
146 HA GLU 23 HA GLU 23 2.380 -6.639 -10.475
147 1HB GLU 23 HB2 GLU 23 0.409 -5.629 -11.873
148 2HB GLU 23 HB1 GLU 23 0.455 -4.353 -10.656
149 1HG GLU 23 HG2 GLU 23 3.075 -4.596 -11.313
150 2HG GLU 23 HG1 GLU 23 2.280 -4.944 -12.845
151 H CYS 24 HN CYS 24 -0.093 -5.110 -8.425
152 HA CYS 24 HA CYS 24 1.515 -3.344 -7.053
153 1HB CYS 24 HB2 CYS 24 -0.925 -3.325 -6.880
154 2HB CYS 24 HB1 CYS 24 -0.883 -4.851 -6.003
155 H CYS 25 HN CYS 25 1.204 -6.771 -6.666
156 HA CYS 25 HA CYS 25 2.409 -6.942 -4.092
157 1HB CYS 25 HB2 CYS 25 1.604 -8.846 -6.209
158 2HB CYS 25 HB1 CYS 25 2.896 -9.385 -5.144
159 H GLY 26 HN GLY 26 3.663 -7.679 -7.352
160 1HA GLY 26 HA2 GLY 26 6.302 -8.181 -6.614
161 2HA GLY 26 HA1 GLY 26 5.797 -7.599 -8.194
162 H ASN 27 HN ASN 27 4.653 -5.127 -7.087
163 HA ASN 27 HA ASN 27 6.972 -3.539 -7.212
164 1HB ASN 27 HB2 ASN 27 4.123 -2.834 -6.534
165 2HB ASN 27 HB1 ASN 27 5.403 -1.645 -6.754
166 1HD2 ASN 27 HD21 ASN 27 6.667 -2.050 -8.882
167 2HD2 ASN 27 HD22 ASN 27 5.679 -2.275 -10.281
168 H LEU 28 HN LEU 28 4.548 -3.687 -4.661
169 HA LEU 28 HA LEU 28 6.005 -2.396 -2.718
170 1HB LEU 28 HB2 LEU 28 4.521 -3.342 -1.080
171 2HB LEU 28 HB1 LEU 28 3.613 -2.911 -2.517
172 HG LEU 28 HG LEU 28 4.112 -5.478 -3.084
173 1HD1 LEU 28 HD11 LEU 28 3.603 -5.684 -0.159
174 2HD1 LEU 28 HD12 LEU 28 5.262 -5.527 -0.736
175 3HD1 LEU 28 HD13 LEU 28 4.264 -6.876 -1.275
176 1HD2 LEU 28 HD21 LEU 28 1.868 -5.923 -2.507
177 2HD2 LEU 28 HD22 LEU 28 1.926 -4.208 -2.911
178 3HD2 LEU 28 HD23 LEU 28 1.880 -4.715 -1.223
179 H ARG 29 HN ARG 29 6.310 -5.616 -3.900
180 HA ARG 29 HA ARG 29 7.608 -6.849 -1.795
181 1HB ARG 29 HB2 ARG 29 7.208 -7.328 -4.629
182 2HB ARG 29 HB1 ARG 29 8.782 -7.891 -4.088
183 1HG ARG 29 HG2 ARG 29 6.963 -9.591 -4.038
184 2HG ARG 29 HG1 ARG 29 7.813 -9.364 -2.513
185 1HD ARG 29 HD2 ARG 29 5.850 -7.655 -2.076
186 2HD ARG 29 HD1 ARG 29 5.023 -8.656 -3.267
187 HE ARG 29 HE ARG 29 5.700 -9.373 -0.565
188 1HH1 ARG 29 HH11 ARG 29 4.944 -10.582 -3.751
189 2HH1 ARG 29 HH12 ARG 29 4.395 -12.119 -3.173
190 1HH2 ARG 29 HH21 ARG 29 4.979 -11.395 0.196
191 2HH2 ARG 29 HH22 ARG 29 4.414 -12.581 -0.933
192 H ALA 30 HN ALA 30 8.897 -4.935 -4.436
193 HA ALA 30 HA ALA 30 11.595 -5.238 -3.955
194 1HB ALA 30 HB1 ALA 30 10.747 -2.505 -4.649
195 2HB ALA 30 HB2 ALA 30 10.163 -3.786 -5.712
196 3HB ALA 30 HB3 ALA 30 11.895 -3.575 -5.454
197 H GLN 31 HN GLN 31 9.202 -3.528 -2.168
198 HA GLN 31 HA GLN 31 11.077 -1.965 -0.621
199 1HB GLN 31 HB2 GLN 31 8.262 -2.369 0.272
200 2HB GLN 31 HB1 GLN 31 9.256 -0.920 0.319
201 1HG GLN 31 HG2 GLN 31 9.036 -1.180 -2.320
202 2HG GLN 31 HG1 GLN 31 7.543 -1.976 -1.836
203 1HE2 GLN 31 HE21 GLN 31 9.227 0.986 -2.135
204 2HE2 GLN 31 HE22 GLN 31 7.938 2.028 -1.622
205 H GLN 32 HN GLN 32 8.581 -4.253 0.463
206 HA GLN 32 HA GLN 32 8.513 -5.686 2.221
207 1HB GLN 32 HB2 GLN 32 10.447 -6.469 0.503
208 2HB GLN 32 HB1 GLN 32 11.350 -6.392 2.012
209 1HG GLN 32 HG2 GLN 32 10.526 -8.360 2.590
210 2HG GLN 32 HG1 GLN 32 8.904 -7.668 2.569
211 1HE2 GLN 32 HE21 GLN 32 7.823 -7.605 0.454
212 2HE2 GLN 32 HE22 GLN 32 8.078 -8.924 -0.632
213 H GLY 33 HN GLY 33 9.660 -2.874 2.617
214 1HA GLY 33 HA2 GLY 33 9.936 -2.967 5.396
215 2HA GLY 33 HA1 GLY 33 11.551 -2.945 4.703
216 H CYS 34 HN CYS 34 8.874 -1.356 3.145
217 HA CYS 34 HA CYS 34 9.783 1.216 4.060
218 1HB CYS 34 HB2 CYS 34 10.701 0.390 1.771
219 2HB CYS 34 HB1 CYS 34 9.100 0.845 1.219
220 H PHE 35 HN PHE 35 7.308 -0.703 2.562
221 HA PHE 35 HA PHE 35 5.335 1.159 2.122
222 1HB PHE 35 HB2 PHE 35 3.773 -0.850 2.885
223 2HB PHE 35 HB1 PHE 35 4.609 -0.854 1.341
224 HD1 PHE 35 HD1 PHE 35 6.155 -2.585 0.823
225 HD2 PHE 35 HD2 PHE 35 4.729 -2.118 4.813
226 HE1 PHE 35 HE1 PHE 35 7.112 -4.758 1.424
227 HE2 PHE 35 HE2 PHE 35 5.711 -4.288 5.416
228 HZ PHE 35 HZ PHE 35 6.904 -5.612 3.720
229 H CYS 36 HN CYS 36 5.906 -0.663 5.042
230 HA CYS 36 HA CYS 36 3.855 0.275 6.633
231 1HB CYS 36 HB2 CYS 36 5.973 -1.397 7.025
232 2HB CYS 36 HB1 CYS 36 6.431 -0.030 8.035
233 H GLN 37 HN GLN 37 7.026 1.726 6.056
234 HA GLN 37 HA GLN 37 6.951 3.763 7.913
235 1HB GLN 37 HB2 GLN 37 8.154 3.770 5.150
236 2HB GLN 37 HB1 GLN 37 8.481 4.988 6.374
237 1HG GLN 37 HG2 GLN 37 9.487 3.341 7.812
238 2HG GLN 37 HG1 GLN 37 9.055 2.052 6.690
239 1HE2 GLN 37 HE21 GLN 37 9.734 3.092 4.288
240 2HE2 GLN 37 HE22 GLN 37 11.437 3.372 4.215
241 H TYR 38 HN TYR 38 5.294 3.474 4.888
242 HA TYR 38 HA TYR 38 4.515 6.241 4.749
243 1HB TYR 38 HB2 TYR 38 3.684 3.785 3.205
244 2HB TYR 38 HB1 TYR 38 2.984 5.375 2.913
245 HD1 TYR 38 HD1 TYR 38 4.733 7.292 2.468
246 HD2 TYR 38 HD2 TYR 38 5.541 3.144 1.983
247 HE1 TYR 38 HE1 TYR 38 6.596 7.838 0.959
248 HE2 TYR 38 HE2 TYR 38 7.407 3.678 0.473
249 HH TYR 38 HH TYR 38 7.902 6.815 -0.799
250 H ALA 39 HN ALA 39 3.307 3.383 6.245
251 HA ALA 39 HA ALA 39 0.595 3.886 6.392
252 1HB ALA 39 HB1 ALA 39 2.319 2.582 8.485
253 2HB ALA 39 HB2 ALA 39 1.630 1.780 7.074
254 3HB ALA 39 HB3 ALA 39 0.570 2.422 8.328
255 H LYS 40 HN LYS 40 3.168 5.571 7.900
256 HA LYS 40 HA LYS 40 1.302 6.852 9.778
257 1HB LYS 40 HB2 LYS 40 3.518 5.722 10.543
258 2HB LYS 40 HB1 LYS 40 4.281 7.175 9.911
259 1HG LYS 40 HG2 LYS 40 3.949 7.484 12.242
260 2HG LYS 40 HG1 LYS 40 2.791 8.514 11.399
261 1HD LYS 40 HD2 LYS 40 1.813 5.816 12.021
262 2HD LYS 40 HD1 LYS 40 2.166 6.815 13.432
263 1HE LYS 40 HE2 LYS 40 0.832 8.609 11.973
264 2HE LYS 40 HE1 LYS 40 0.097 7.139 11.335
265 1HZ LYS 40 HZ1 LYS 40 -0.702 6.547 13.436
266 2HZ LYS 40 HZ2 LYS 40 -1.010 8.207 13.327
267 3HZ LYS 40 HZ3 LYS 40 0.299 7.649 14.242
268 H ASP 41 HN ASP 41 2.212 7.351 6.774
269 HA ASP 41 HA ASP 41 3.151 10.067 6.902
270 1HB ASP 41 HB2 ASP 41 3.876 8.674 5.063
271 2HB ASP 41 HB1 ASP 41 2.205 8.353 4.597
272 HA PRO 42 HA PRO 42 -0.889 11.872 7.374
273 1HB PRO 42 HB2 PRO 42 -0.234 14.423 6.624
274 2HB PRO 42 HB1 PRO 42 0.092 13.749 8.224
275 1HG PRO 42 HG2 PRO 42 1.932 14.074 5.892
276 2HG PRO 42 HG1 PRO 42 2.248 14.329 7.617
277 1HD PRO 42 HD2 PRO 42 3.052 12.104 6.306
278 2HD PRO 42 HD1 PRO 42 2.583 12.086 8.018
279 H THR 43 HN THR 43 0.849 13.225 4.555
280 HA THR 43 HA THR 43 -1.373 13.803 3.013
281 HB THR 43 HB THR 43 0.411 13.250 1.079
282 HG1 THR 43 HG1 THR 43 2.056 12.410 2.165
283 1HG2 THR 43 HG21 THR 43 1.396 15.490 1.423
284 2HG2 THR 43 HG22 THR 43 0.550 15.585 2.967
285 3HG2 THR 43 HG23 THR 43 -0.367 15.478 1.464
286 H TYR 44 HN TYR 44 0.154 10.735 3.590
287 HA TYR 44 HA TYR 44 -1.410 9.462 1.468
288 1HB TYR 44 HB2 TYR 44 0.905 8.586 3.166
289 2HB TYR 44 HB1 TYR 44 -0.077 7.400 2.317
290 HD1 TYR 44 HD1 TYR 44 0.593 10.724 0.893
291 HD2 TYR 44 HD2 TYR 44 1.754 6.630 0.941
292 HE1 TYR 44 HE1 TYR 44 1.926 11.085 -1.140
293 HE2 TYR 44 HE2 TYR 44 3.090 6.982 -1.093
294 HH TYR 44 HH TYR 44 3.250 8.491 -2.955
295 H GLY 45 HN GLY 45 -2.322 10.496 4.256
296 1HA GLY 45 HA2 GLY 45 -3.089 8.304 5.825
297 2HA GLY 45 HA1 GLY 45 -3.875 9.875 5.824
298 H GLN 46 HN GLN 46 -4.635 9.777 3.030
299 HA GLN 46 HA GLN 46 -7.095 8.379 3.322
300 1HB GLN 46 HB2 GLN 46 -5.976 9.570 0.785
301 2HB GLN 46 HB1 GLN 46 -7.664 9.255 1.162
302 1HG GLN 46 HG2 GLN 46 -6.208 11.065 2.987
303 2HG GLN 46 HG1 GLN 46 -6.547 11.665 1.365
304 1HE2 GLN 46 HE21 GLN 46 -7.619 12.784 3.683
305 2HE2 GLN 46 HE22 GLN 46 -9.338 12.536 3.671
306 H TYR 47 HN TYR 47 -4.024 7.652 1.895
307 HA TYR 47 HA TYR 47 -4.924 5.524 0.218
308 1HB TYR 47 HB2 TYR 47 -2.725 6.940 0.128
309 2HB TYR 47 HB1 TYR 47 -2.149 5.699 1.234
310 HD1 TYR 47 HD1 TYR 47 -1.670 3.474 0.487
311 HD2 TYR 47 HD2 TYR 47 -3.337 6.343 -2.173
312 HE1 TYR 47 HE1 TYR 47 -1.143 2.005 -1.414
313 HE2 TYR 47 HE2 TYR 47 -2.819 4.883 -4.081
314 HH TYR 47 HH TYR 47 -0.718 2.592 -4.128
315 H ILE 48 HN ILE 48 -3.338 5.706 3.372
316 HA ILE 48 HA ILE 48 -3.245 2.905 3.784
317 HB ILE 48 HB ILE 48 -3.147 5.079 5.874
318 1HG1 ILE 48 HG12 ILE 48 -1.484 5.374 4.034
319 2HG1 ILE 48 HG11 ILE 48 -0.748 5.074 5.604
320 1HG2 ILE 48 HG21 ILE 48 -2.006 3.473 7.249
321 2HG2 ILE 48 HG22 ILE 48 -2.015 2.287 5.944
322 3HG2 ILE 48 HG23 ILE 48 -3.530 2.772 6.704
323 1HD1 ILE 48 HD11 ILE 48 -1.052 3.135 3.328
324 2HD1 ILE 48 HD12 ILE 48 -0.501 2.682 4.941
325 3HD1 ILE 48 HD13 ILE 48 0.440 3.818 3.974
326 H ARG 49 HN ARG 49 -5.563 5.420 4.670
327 HA ARG 49 HA ARG 49 -7.125 3.611 6.265
328 1HB ARG 49 HB2 ARG 49 -7.733 6.410 5.314
329 2HB ARG 49 HB1 ARG 49 -8.720 5.501 6.450
330 1HG ARG 49 HG2 ARG 49 -5.824 6.057 6.985
331 2HG ARG 49 HG1 ARG 49 -7.088 7.220 7.393
332 1HD ARG 49 HD2 ARG 49 -8.206 5.192 8.571
333 2HD ARG 49 HD1 ARG 49 -6.590 4.489 8.511
334 HE ARG 49 HE ARG 49 -5.925 5.952 10.144
335 1HH1 ARG 49 HH11 ARG 49 -8.985 7.014 8.845
336 2HH1 ARG 49 HH12 ARG 49 -9.217 8.233 10.053
337 1HH2 ARG 49 HH21 ARG 49 -6.228 7.555 11.733
338 2HH2 ARG 49 HH22 ARG 49 -7.652 8.541 11.692
339 H SER 50 HN SER 50 -6.689 3.026 3.406
340 HA SER 50 HA SER 50 -9.274 3.265 2.173
341 1HB SER 50 HB2 SER 50 -6.864 3.134 1.086
342 2HB SER 50 HB1 SER 50 -7.233 1.412 1.126
343 HG SER 50 HG SER 50 -8.726 3.456 -0.136
344 HA PRO 51 HA PRO 51 -10.823 -0.591 3.670
345 1HB PRO 51 HB2 PRO 51 -12.666 -1.090 1.660
346 2HB PRO 51 HB1 PRO 51 -12.932 -0.044 3.053
347 1HG PRO 51 HG2 PRO 51 -12.644 0.688 0.276
348 2HG PRO 51 HG1 PRO 51 -13.054 1.716 1.655
349 1HD PRO 51 HD2 PRO 51 -10.523 1.431 0.260
350 2HD PRO 51 HD1 PRO 51 -11.006 2.642 1.462
351 H HIS 52 HN HIS 52 -10.174 -0.499 0.200
352 HA HIS 52 HA HIS 52 -9.834 -3.346 0.003
353 1HB HIS 52 HB2 HIS 52 -8.890 -1.572 -2.184
354 2HB HIS 52 HB1 HIS 52 -9.854 -3.043 -2.264
355 HD1 HIS 52 HD1 HIS 52 -10.450 -0.155 -3.628
356 HD2 HIS 52 HD2 HIS 52 -12.318 -1.816 -0.312
357 HE1 HIS 52 HE1 HIS 52 -12.680 0.998 -3.454
358 HE2 HIS 52 HE2 HIS 52 -13.759 0.025 -1.406
359 H ALA 53 HN ALA 53 -7.801 -0.706 0.772
360 HA ALA 53 HA ALA 53 -5.356 -1.516 -0.233
361 1HB ALA 53 HB1 ALA 53 -5.453 0.642 0.667
362 2HB ALA 53 HB2 ALA 53 -4.405 -0.258 1.762
363 3HB ALA 53 HB3 ALA 53 -6.082 0.057 2.207
364 H ARG 54 HN ARG 54 -6.723 -2.160 2.942
365 HA ARG 54 HA ARG 54 -4.690 -3.776 3.905
366 1HB ARG 54 HB2 ARG 54 -7.120 -2.843 4.857
367 2HB ARG 54 HB1 ARG 54 -7.312 -4.590 4.861
368 1HG ARG 54 HG2 ARG 54 -5.550 -4.900 6.360
369 2HG ARG 54 HG1 ARG 54 -4.906 -3.282 6.073
370 1HD ARG 54 HD2 ARG 54 -6.118 -3.625 8.263
371 2HD ARG 54 HD1 ARG 54 -6.657 -2.263 7.282
372 HE ARG 54 HE ARG 54 -8.352 -4.178 6.511
373 1HH1 ARG 54 HH11 ARG 54 -7.338 -3.165 9.696
374 2HH1 ARG 54 HH12 ARG 54 -8.831 -3.614 10.448
375 1HH2 ARG 54 HH21 ARG 54 -10.313 -4.770 7.502
376 2HH2 ARG 54 HH22 ARG 54 -10.519 -4.525 9.204
377 H ASP 55 HN ASP 55 -7.411 -4.521 1.880
378 HA ASP 55 HA ASP 55 -7.218 -7.334 2.064
379 1HB ASP 55 HB2 ASP 55 -9.169 -5.845 1.191
380 2HB ASP 55 HB1 ASP 55 -8.310 -5.991 -0.338
381 H THR 56 HN THR 56 -5.945 -4.964 -0.158
382 HA THR 56 HA THR 56 -4.825 -6.690 -2.022
383 HB THR 56 HB THR 56 -3.514 -4.127 -1.341
384 HG1 THR 56 HG1 THR 56 -5.158 -2.994 -2.322
385 1HG2 THR 56 HG21 THR 56 -3.809 -3.924 -3.912
386 2HG2 THR 56 HG22 THR 56 -4.019 -5.673 -3.823
387 3HG2 THR 56 HG23 THR 56 -2.528 -4.932 -3.241
388 H LEU 57 HN LEU 57 -3.380 -5.171 0.835
389 HA LEU 57 HA LEU 57 -0.849 -6.284 0.561
390 1HB LEU 57 HB2 LEU 57 -2.337 -4.878 2.611
391 2HB LEU 57 HB1 LEU 57 -1.145 -5.988 3.265
392 HG LEU 57 HG LEU 57 0.096 -4.512 1.190
393 1HD1 LEU 57 HD11 LEU 57 -0.160 -2.245 1.861
394 2HD1 LEU 57 HD12 LEU 57 -1.176 -2.704 3.227
395 3HD1 LEU 57 HD13 LEU 57 -1.774 -2.898 1.579
396 1HD2 LEU 57 HD21 LEU 57 1.746 -4.353 2.710
397 2HD2 LEU 57 HD22 LEU 57 0.759 -5.501 3.613
398 3HD2 LEU 57 HD23 LEU 57 0.662 -3.779 3.977
399 H THR 58 HN THR 58 -3.621 -7.361 2.427
400 HA THR 58 HA THR 58 -2.446 -9.640 3.529
401 HB THR 58 HB THR 58 -5.356 -9.151 2.869
402 HG1 THR 58 HG1 THR 58 -4.911 -7.632 4.302
403 1HG2 THR 58 HG21 THR 58 -4.007 -11.338 4.297
404 2HG2 THR 58 HG22 THR 58 -5.565 -11.302 3.472
405 3HG2 THR 58 HG23 THR 58 -5.414 -10.639 5.099
406 H SER 59 HN SER 59 -4.274 -9.168 0.536
407 HA SER 59 HA SER 59 -4.491 -11.764 -0.333
408 1HB SER 59 HB2 SER 59 -5.273 -9.506 -1.377
409 2HB SER 59 HB1 SER 59 -3.745 -9.623 -2.236
410 HG SER 59 HG SER 59 -4.413 -11.632 -3.054
411 H CYS 60 HN CYS 60 -1.782 -9.634 -0.257
412 HA CYS 60 HA CYS 60 -0.062 -11.257 -1.873
413 1HB CYS 60 HB2 CYS 60 -0.075 -8.637 -1.151
414 2HB CYS 60 HB1 CYS 60 1.104 -9.280 -0.021
415 H GLY 61 HN GLY 61 -0.748 -10.807 1.545
416 1HA GLY 61 HA2 GLY 61 -0.222 -12.131 3.349
417 2HA GLY 61 HA1 GLY 61 0.389 -13.329 2.218
418 H LEU 62 HN LEU 62 1.332 -10.034 3.229
419 HA LEU 62 HA LEU 62 4.053 -11.084 3.632
420 1HB LEU 62 HB2 LEU 62 4.462 -8.407 3.307
421 2HB LEU 62 HB1 LEU 62 4.693 -9.624 2.072
422 HG LEU 62 HG LEU 62 1.983 -8.915 1.875
423 1HD1 LEU 62 HD11 LEU 62 1.939 -6.916 2.937
424 2HD1 LEU 62 HD12 LEU 62 2.560 -6.367 1.381
425 3HD1 LEU 62 HD13 LEU 62 3.668 -6.637 2.726
426 1HD2 LEU 62 HD21 LEU 62 4.413 -8.135 0.282
427 2HD2 LEU 62 HD22 LEU 62 2.754 -7.857 -0.245
428 3HD2 LEU 62 HD23 LEU 62 3.337 -9.503 -0.001
429 H ALA 63 HN ALA 63 2.649 -7.941 4.457
430 HA ALA 63 HA ALA 63 2.636 -8.602 7.264
431 1HB ALA 63 HB1 ALA 63 4.965 -7.923 6.825
432 2HB ALA 63 HB2 ALA 63 4.137 -6.833 7.937
433 3HB ALA 63 HB3 ALA 63 4.376 -6.361 6.255
434 H VAL 64 HN VAL 64 1.877 -6.689 8.591
435 HA VAL 64 HA VAL 64 -0.155 -5.236 7.083
436 HB VAL 64 HB VAL 64 -0.941 -6.853 8.827
437 1HG1 VAL 64 HG11 VAL 64 -0.435 -6.680 11.030
438 2HG1 VAL 64 HG12 VAL 64 -0.256 -4.926 10.967
439 3HG1 VAL 64 HG13 VAL 64 1.039 -5.966 10.374
440 1HG2 VAL 64 HG21 VAL 64 -2.436 -5.131 8.122
441 2HG2 VAL 64 HG22 VAL 64 -1.628 -3.936 9.138
442 3HG2 VAL 64 HG23 VAL 64 -2.547 -5.247 9.878
443 HA PRO 65 HA PRO 65 1.995 -1.459 8.015
444 1HB PRO 65 HB2 PRO 65 -0.126 0.271 7.866
445 2HB PRO 65 HB1 PRO 65 0.715 -0.377 6.454
446 1HG PRO 65 HG2 PRO 65 -1.834 -1.292 7.727
447 2HG PRO 65 HG1 PRO 65 -1.454 -1.085 6.007
448 1HD PRO 65 HD2 PRO 65 -1.438 -3.507 7.150
449 2HD PRO 65 HD1 PRO 65 -0.252 -3.068 5.903
450 H HIS 66 HN HIS 66 0.999 0.719 9.334
451 HA HIS 66 HA HIS 66 0.786 1.582 11.427
452 1HB HIS 66 HB2 HIS 66 -1.132 -0.743 11.613
453 2HB HIS 66 HB1 HIS 66 -0.960 0.464 12.884
454 HD1 HIS 66 HD1 HIS 66 -2.226 0.018 9.389
455 HD2 HIS 66 HD2 HIS 66 -2.154 2.924 12.353
456 HE1 HIS 66 HE1 HIS 66 -3.806 1.809 8.619
457 HE2 HIS 66 HE2 HIS 66 -3.673 3.602 10.378
458 H CYS 67 HN CYS 67 2.970 -0.203 10.970
459 HA CYS 67 HA CYS 67 3.236 -1.832 13.350
460 1HB CYS 67 HB2 CYS 67 5.476 -2.371 12.433
461 2HB CYS 67 HB1 CYS 67 4.181 -2.674 11.279
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 10.932 5.097 2.363
2 2H ALA 1 HT2 ALA 1 10.277 5.939 1.019
3 3H ALA 1 HT3 ALA 1 10.640 6.783 2.469
4 HA ALA 1 HA ALA 1 12.246 7.135 0.702
5 1HB ALA 1 HB1 ALA 1 13.216 5.745 3.195
6 2HB ALA 1 HB2 ALA 1 12.880 7.466 3.009
7 3HB ALA 1 HB3 ALA 1 14.217 6.728 2.128
8 H CYS 2 HN CYS 2 11.773 5.675 -1.066
9 HA CYS 2 HA CYS 2 13.861 3.717 -1.394
10 1HB CYS 2 HB2 CYS 2 11.980 2.039 -2.218
11 2HB CYS 2 HB1 CYS 2 12.501 2.075 -0.538
12 H GLN 3 HN GLN 3 10.705 4.562 -2.840
13 HA GLN 3 HA GLN 3 11.960 5.672 -5.168
14 1HB GLN 3 HB2 GLN 3 11.897 3.060 -5.371
15 2HB GLN 3 HB1 GLN 3 10.199 3.322 -5.740
16 1HG GLN 3 HG2 GLN 3 10.998 3.403 -7.846
17 2HG GLN 3 HG1 GLN 3 11.258 5.094 -7.422
18 1HE2 GLN 3 HE21 GLN 3 13.408 5.633 -6.551
19 2HE2 GLN 3 HE22 GLN 3 14.782 4.804 -7.192
20 H ALA 4 HN ALA 4 8.981 4.386 -3.742
21 HA ALA 4 HA ALA 4 6.897 5.285 -3.540
22 1HB ALA 4 HB1 ALA 4 7.540 7.843 -4.866
23 2HB ALA 4 HB2 ALA 4 8.457 7.467 -3.407
24 3HB ALA 4 HB3 ALA 4 6.696 7.527 -3.349
25 H SER 5 HN SER 5 8.013 4.024 -6.053
26 HA SER 5 HA SER 5 5.906 4.962 -7.888
27 1HB SER 5 HB2 SER 5 8.558 5.141 -8.414
28 2HB SER 5 HB1 SER 5 8.217 3.538 -9.064
29 HG SER 5 HG SER 5 7.909 5.538 -10.445
30 H GLN 6 HN GLN 6 7.290 2.299 -6.210
31 HA GLN 6 HA GLN 6 6.234 0.248 -7.849
32 1HB GLN 6 HB2 GLN 6 7.268 0.204 -5.016
33 2HB GLN 6 HB1 GLN 6 6.819 -1.232 -5.927
34 1HG GLN 6 HG2 GLN 6 8.749 0.572 -7.231
35 2HG GLN 6 HG1 GLN 6 9.317 -0.269 -5.790
36 1HE2 GLN 6 HE21 GLN 6 8.517 -0.526 -9.100
37 2HE2 GLN 6 HE22 GLN 6 8.873 -2.205 -9.293
38 H LEU 7 HN LEU 7 4.755 2.407 -5.792
39 HA LEU 7 HA LEU 7 2.561 0.527 -5.225
40 1HB LEU 7 HB2 LEU 7 2.871 3.095 -3.738
41 2HB LEU 7 HB1 LEU 7 2.121 1.596 -3.224
42 HG LEU 7 HG LEU 7 5.100 1.886 -3.599
43 1HD1 LEU 7 HD11 LEU 7 3.835 3.366 -1.799
44 2HD1 LEU 7 HD12 LEU 7 5.381 2.590 -1.454
45 3HD1 LEU 7 HD13 LEU 7 3.880 1.854 -0.894
46 1HD2 LEU 7 HD21 LEU 7 4.791 -0.048 -1.794
47 2HD2 LEU 7 HD22 LEU 7 4.779 -0.363 -3.529
48 3HD2 LEU 7 HD23 LEU 7 3.258 -0.233 -2.645
49 H ALA 8 HN ALA 8 3.455 3.444 -6.820
50 HA ALA 8 HA ALA 8 1.150 4.907 -6.930
51 1HB ALA 8 HB1 ALA 8 3.476 5.265 -8.053
52 2HB ALA 8 HB2 ALA 8 2.032 6.000 -8.749
53 3HB ALA 8 HB3 ALA 8 2.691 4.520 -9.446
54 H VAL 9 HN VAL 9 2.035 2.248 -9.055
55 HA VAL 9 HA VAL 9 -0.221 2.219 -10.658
56 HB VAL 9 HB VAL 9 1.798 0.927 -11.175
57 1HG1 VAL 9 HG11 VAL 9 0.920 -0.748 -8.834
58 2HG1 VAL 9 HG12 VAL 9 2.454 0.095 -9.053
59 3HG1 VAL 9 HG13 VAL 9 2.069 -1.308 -10.050
60 1HG2 VAL 9 HG21 VAL 9 0.725 -0.816 -12.271
61 2HG2 VAL 9 HG22 VAL 9 -0.577 0.345 -12.014
62 3HG2 VAL 9 HG23 VAL 9 -0.430 -1.062 -10.961
63 H CYS 10 HN CYS 10 0.182 1.207 -7.401
64 HA CYS 10 HA CYS 10 -2.128 -0.522 -7.335
65 1HB CYS 10 HB2 CYS 10 0.024 -0.547 -5.835
66 2HB CYS 10 HB1 CYS 10 -0.859 0.644 -4.885
67 H ALA 11 HN ALA 11 -1.335 2.784 -6.579
68 HA ALA 11 HA ALA 11 -3.362 3.641 -4.989
69 1HB ALA 11 HB1 ALA 11 -2.828 5.421 -7.272
70 2HB ALA 11 HB2 ALA 11 -1.416 4.893 -6.357
71 3HB ALA 11 HB3 ALA 11 -2.733 5.736 -5.540
72 H SER 12 HN SER 12 -3.582 2.690 -8.306
73 HA SER 12 HA SER 12 -5.966 3.849 -9.081
74 1HB SER 12 HB2 SER 12 -4.428 1.454 -9.896
75 2HB SER 12 HB1 SER 12 -6.127 1.478 -10.367
76 HG SER 12 HG SER 12 -4.062 3.259 -11.071
77 H ALA 13 HN ALA 13 -5.428 0.791 -7.374
78 HA ALA 13 HA ALA 13 -8.227 0.226 -7.156
79 1HB ALA 13 HB1 ALA 13 -7.165 -1.767 -7.147
80 2HB ALA 13 HB2 ALA 13 -7.128 -1.486 -5.406
81 3HB ALA 13 HB3 ALA 13 -5.713 -1.111 -6.390
82 H ILE 14 HN ILE 14 -5.812 1.814 -5.217
83 HA ILE 14 HA ILE 14 -7.201 1.689 -2.737
84 HB ILE 14 HB ILE 14 -4.932 3.361 -3.772
85 1HG1 ILE 14 HG12 ILE 14 -4.030 2.258 -1.514
86 2HG1 ILE 14 HG11 ILE 14 -5.313 1.101 -1.867
87 1HG2 ILE 14 HG21 ILE 14 -6.158 4.924 -2.423
88 2HG2 ILE 14 HG22 ILE 14 -4.743 4.387 -1.520
89 3HG2 ILE 14 HG23 ILE 14 -6.334 3.736 -1.131
90 1HD1 ILE 14 HD11 ILE 14 -3.335 1.846 -3.978
91 2HD1 ILE 14 HD12 ILE 14 -4.296 0.377 -3.811
92 3HD1 ILE 14 HD13 ILE 14 -2.925 0.660 -2.739
93 H LEU 15 HN LEU 15 -6.637 4.481 -4.889
94 HA LEU 15 HA LEU 15 -8.647 6.063 -3.656
95 1HB LEU 15 HB2 LEU 15 -7.227 6.366 -6.300
96 2HB LEU 15 HB1 LEU 15 -8.295 7.575 -5.612
97 HG LEU 15 HG LEU 15 -6.059 6.675 -3.891
98 1HD1 LEU 15 HD11 LEU 15 -4.516 8.267 -5.033
99 2HD1 LEU 15 HD12 LEU 15 -5.654 8.323 -6.379
100 3HD1 LEU 15 HD13 LEU 15 -4.864 6.804 -5.954
101 1HD2 LEU 15 HD21 LEU 15 -6.349 8.686 -2.910
102 2HD2 LEU 15 HD22 LEU 15 -7.930 8.595 -3.687
103 3HD2 LEU 15 HD23 LEU 15 -6.628 9.515 -4.441
104 H SER 16 HN SER 16 -8.578 5.179 -7.100
105 HA SER 16 HA SER 16 -11.271 5.562 -7.584
106 1HB SER 16 HB2 SER 16 -9.043 4.254 -8.959
107 2HB SER 16 HB1 SER 16 -10.608 3.538 -9.345
108 HG SER 16 HG SER 16 -11.111 5.265 -10.430
109 H GLY 17 HN GLY 17 -9.734 2.353 -7.247
110 1HA GLY 17 HA2 GLY 17 -10.541 0.595 -5.885
111 2HA GLY 17 HA1 GLY 17 -12.073 1.442 -5.741
112 H ALA 18 HN ALA 18 -10.418 0.880 -8.780
113 HA ALA 18 HA ALA 18 -12.703 -0.216 -10.004
114 1HB ALA 18 HB1 ALA 18 -11.306 0.790 -11.525
115 2HB ALA 18 HB2 ALA 18 -10.907 -0.911 -11.772
116 3HB ALA 18 HB3 ALA 18 -9.853 0.110 -10.793
117 H LYS 19 HN LYS 19 -9.655 -1.709 -9.074
118 HA LYS 19 HA LYS 19 -10.727 -4.048 -8.017
119 1HB LYS 19 HB2 LYS 19 -9.900 -5.581 -9.969
120 2HB LYS 19 HB1 LYS 19 -11.507 -4.873 -10.031
121 1HG LYS 19 HG2 LYS 19 -10.279 -4.761 -12.176
122 2HG LYS 19 HG1 LYS 19 -10.772 -3.182 -11.561
123 1HD LYS 19 HD2 LYS 19 -8.572 -2.667 -10.854
124 2HD LYS 19 HD1 LYS 19 -8.036 -4.335 -11.070
125 1HE LYS 19 HE2 LYS 19 -7.216 -2.933 -12.878
126 2HE LYS 19 HE1 LYS 19 -8.367 -4.122 -13.488
127 1HZ LYS 19 HZ1 LYS 19 -9.128 -1.338 -12.808
128 2HZ LYS 19 HZ2 LYS 19 -10.033 -2.477 -13.670
129 3HZ LYS 19 HZ3 LYS 19 -8.641 -1.808 -14.359
130 HA PRO 20 HA PRO 20 -6.525 -4.513 -6.777
131 1HB PRO 20 HB2 PRO 20 -6.300 -7.199 -6.439
132 2HB PRO 20 HB1 PRO 20 -7.206 -6.163 -5.330
133 1HG PRO 20 HG2 PRO 20 -8.212 -7.887 -7.561
134 2HG PRO 20 HG1 PRO 20 -8.871 -7.672 -5.929
135 1HD PRO 20 HD2 PRO 20 -9.909 -6.419 -8.090
136 2HD PRO 20 HD1 PRO 20 -9.910 -5.686 -6.473
137 H SER 21 HN SER 21 -4.517 -6.006 -7.238
138 HA SER 21 HA SER 21 -4.347 -7.130 -9.852
139 1HB SER 21 HB2 SER 21 -2.449 -4.874 -9.635
140 2HB SER 21 HB1 SER 21 -3.314 -5.490 -11.043
141 HG SER 21 HG SER 21 -4.032 -3.402 -10.396
142 H GLY 22 HN GLY 22 -2.808 -8.647 -9.862
143 1HA GLY 22 HA2 GLY 22 -1.353 -9.316 -7.579
144 2HA GLY 22 HA1 GLY 22 -1.017 -9.918 -9.196
145 H GLU 23 HN GLU 23 -0.526 -7.176 -10.214
146 HA GLU 23 HA GLU 23 2.221 -7.076 -10.003
147 1HB GLU 23 HB2 GLU 23 0.521 -5.906 -11.617
148 2HB GLU 23 HB1 GLU 23 0.620 -4.585 -10.452
149 1HG GLU 23 HG2 GLU 23 3.233 -5.152 -10.841
150 2HG GLU 23 HG1 GLU 23 2.555 -5.520 -12.423
151 H CYS 24 HN CYS 24 -0.219 -5.187 -8.241
152 HA CYS 24 HA CYS 24 1.461 -3.553 -6.786
153 1HB CYS 24 HB2 CYS 24 -0.956 -3.231 -6.825
154 2HB CYS 24 HB1 CYS 24 -1.188 -4.736 -5.940
155 H CYS 25 HN CYS 25 0.677 -6.892 -6.331
156 HA CYS 25 HA CYS 25 1.739 -7.085 -3.673
157 1HB CYS 25 HB2 CYS 25 0.035 -8.651 -4.315
158 2HB CYS 25 HB1 CYS 25 0.957 -9.164 -5.722
159 H GLY 26 HN GLY 26 2.924 -7.644 -6.936
160 1HA GLY 26 HA2 GLY 26 5.419 -8.785 -6.046
161 2HA GLY 26 HA1 GLY 26 4.995 -8.358 -7.696
162 H ASN 27 HN ASN 27 4.277 -5.606 -6.993
163 HA ASN 27 HA ASN 27 6.784 -4.420 -7.355
164 1HB ASN 27 HB2 ASN 27 4.117 -3.216 -6.643
165 2HB ASN 27 HB1 ASN 27 5.545 -2.263 -7.037
166 1HD2 ASN 27 HD21 ASN 27 6.610 -2.975 -9.152
167 2HD2 ASN 27 HD22 ASN 27 5.537 -3.227 -10.482
168 H LEU 28 HN LEU 28 4.551 -4.073 -4.649
169 HA LEU 28 HA LEU 28 6.198 -2.707 -2.934
170 1HB LEU 28 HB2 LEU 28 4.815 -3.431 -1.126
171 2HB LEU 28 HB1 LEU 28 3.797 -3.177 -2.532
172 HG LEU 28 HG LEU 28 4.206 -5.764 -2.863
173 1HD1 LEU 28 HD11 LEU 28 5.575 -5.413 -0.518
174 2HD1 LEU 28 HD12 LEU 28 4.933 -6.946 -1.109
175 3HD1 LEU 28 HD13 LEU 28 4.002 -5.983 0.039
176 1HD2 LEU 28 HD21 LEU 28 2.076 -6.144 -1.955
177 2HD2 LEU 28 HD22 LEU 28 2.064 -4.448 -2.439
178 3HD2 LEU 28 HD23 LEU 28 2.275 -4.880 -0.742
179 H ARG 29 HN ARG 29 6.278 -6.037 -3.830
180 HA ARG 29 HA ARG 29 7.681 -7.177 -1.765
181 1HB ARG 29 HB2 ARG 29 6.943 -7.909 -4.373
182 2HB ARG 29 HB1 ARG 29 8.679 -8.167 -4.273
183 1HG ARG 29 HG2 ARG 29 8.398 -10.012 -3.085
184 2HG ARG 29 HG1 ARG 29 7.394 -9.160 -1.913
185 1HD ARG 29 HD2 ARG 29 5.753 -9.445 -4.125
186 2HD ARG 29 HD1 ARG 29 6.629 -10.973 -4.039
187 HE ARG 29 HE ARG 29 5.507 -10.063 -1.537
188 1HH1 ARG 29 HH11 ARG 29 4.995 -11.969 -4.419
189 2HH1 ARG 29 HH12 ARG 29 3.787 -12.973 -3.691
190 1HH2 ARG 29 HH21 ARG 29 3.920 -11.385 -0.580
191 2HH2 ARG 29 HH22 ARG 29 3.175 -12.641 -1.512
192 H ALA 30 HN ALA 30 8.892 -5.394 -4.530
193 HA ALA 30 HA ALA 30 11.612 -5.711 -4.094
194 1HB ALA 30 HB1 ALA 30 11.954 -3.842 -5.502
195 2HB ALA 30 HB2 ALA 30 10.377 -3.162 -5.101
196 3HB ALA 30 HB3 ALA 30 10.484 -4.623 -6.083
197 H GLN 31 HN GLN 31 9.250 -3.910 -2.379
198 HA GLN 31 HA GLN 31 11.112 -2.172 -1.023
199 1HB GLN 31 HB2 GLN 31 8.283 -2.677 -0.145
200 2HB GLN 31 HB1 GLN 31 9.250 -1.221 0.044
201 1HG GLN 31 HG2 GLN 31 8.732 -2.033 -2.733
202 2HG GLN 31 HG1 GLN 31 7.319 -1.536 -1.803
203 1HE2 GLN 31 HE21 GLN 31 7.022 0.563 -1.327
204 2HE2 GLN 31 HE22 GLN 31 8.086 1.836 -1.832
205 H GLN 32 HN GLN 32 8.743 -4.455 0.326
206 HA GLN 32 HA GLN 32 8.787 -5.731 2.203
207 1HB GLN 32 HB2 GLN 32 10.578 -6.667 0.438
208 2HB GLN 32 HB1 GLN 32 11.622 -6.417 1.834
209 1HG GLN 32 HG2 GLN 32 10.891 -8.302 2.729
210 2HG GLN 32 HG1 GLN 32 9.247 -7.664 2.728
211 1HE2 GLN 32 HE21 GLN 32 8.020 -7.915 0.725
212 2HE2 GLN 32 HE22 GLN 32 8.262 -9.341 -0.218
213 H GLY 33 HN GLY 33 9.901 -2.894 2.348
214 1HA GLY 33 HA2 GLY 33 10.384 -2.831 5.107
215 2HA GLY 33 HA1 GLY 33 11.936 -2.789 4.284
216 H CYS 34 HN CYS 34 9.099 -1.366 2.854
217 HA CYS 34 HA CYS 34 9.978 1.272 3.598
218 1HB CYS 34 HB2 CYS 34 10.771 0.380 1.291
219 2HB CYS 34 HB1 CYS 34 9.124 0.756 0.827
220 H PHE 35 HN PHE 35 7.466 -0.782 2.363
221 HA PHE 35 HA PHE 35 5.421 1.030 1.998
222 1HB PHE 35 HB2 PHE 35 3.943 -0.975 2.863
223 2HB PHE 35 HB1 PHE 35 4.735 -1.034 1.297
224 HD1 PHE 35 HD1 PHE 35 6.376 -2.707 0.831
225 HD2 PHE 35 HD2 PHE 35 4.883 -2.200 4.789
226 HE1 PHE 35 HE1 PHE 35 7.380 -4.842 1.486
227 HE2 PHE 35 HE2 PHE 35 5.911 -4.333 5.449
228 HZ PHE 35 HZ PHE 35 7.162 -5.658 3.796
229 H CYS 36 HN CYS 36 6.176 -0.750 4.906
230 HA CYS 36 HA CYS 36 4.222 0.202 6.600
231 1HB CYS 36 HB2 CYS 36 6.186 -1.530 6.959
232 2HB CYS 36 HB1 CYS 36 6.981 -0.140 7.690
233 H GLN 37 HN GLN 37 7.293 1.705 5.738
234 HA GLN 37 HA GLN 37 7.331 3.760 7.587
235 1HB GLN 37 HB2 GLN 37 8.314 3.783 4.737
236 2HB GLN 37 HB1 GLN 37 8.735 4.983 5.949
237 1HG GLN 37 HG2 GLN 37 9.839 3.293 7.284
238 2HG GLN 37 HG1 GLN 37 9.358 2.045 6.135
239 1HE2 GLN 37 HE21 GLN 37 9.871 3.172 3.743
240 2HE2 GLN 37 HE22 GLN 37 11.559 3.498 3.574
241 H TYR 38 HN TYR 38 5.422 3.376 4.732
242 HA TYR 38 HA TYR 38 4.617 6.124 4.544
243 1HB TYR 38 HB2 TYR 38 3.642 3.586 3.243
244 2HB TYR 38 HB1 TYR 38 2.856 5.138 2.972
245 HD1 TYR 38 HD1 TYR 38 4.690 7.085 2.421
246 HD2 TYR 38 HD2 TYR 38 5.120 2.932 1.610
247 HE1 TYR 38 HE1 TYR 38 6.321 7.605 0.656
248 HE2 TYR 38 HE2 TYR 38 6.754 3.439 -0.156
249 HH TYR 38 HH TYR 38 7.164 6.462 -1.468
250 H ALA 39 HN ALA 39 3.480 3.285 6.202
251 HA ALA 39 HA ALA 39 0.841 3.886 6.677
252 1HB ALA 39 HB1 ALA 39 2.714 2.643 8.677
253 2HB ALA 39 HB2 ALA 39 1.988 1.783 7.319
254 3HB ALA 39 HB3 ALA 39 0.964 2.447 8.592
255 H LYS 40 HN LYS 40 3.656 5.422 7.936
256 HA LYS 40 HA LYS 40 2.060 6.888 9.911
257 1HB LYS 40 HB2 LYS 40 4.324 5.695 10.434
258 2HB LYS 40 HB1 LYS 40 5.037 7.115 9.682
259 1HG LYS 40 HG2 LYS 40 4.949 8.068 11.684
260 2HG LYS 40 HG1 LYS 40 3.203 8.174 11.453
261 1HD LYS 40 HD2 LYS 40 4.324 5.619 12.481
262 2HD LYS 40 HD1 LYS 40 4.270 7.000 13.579
263 1HE LYS 40 HE2 LYS 40 1.971 7.085 13.576
264 2HE LYS 40 HE1 LYS 40 1.839 6.312 11.996
265 1HZ LYS 40 HZ1 LYS 40 2.408 4.212 12.971
266 2HZ LYS 40 HZ2 LYS 40 1.122 4.878 13.845
267 3HZ LYS 40 HZ3 LYS 40 2.689 4.925 14.480
268 H ASP 41 HN ASP 41 3.733 7.219 6.922
269 HA ASP 41 HA ASP 41 4.296 9.947 6.883
270 1HB ASP 41 HB2 ASP 41 5.077 8.348 5.171
271 2HB ASP 41 HB1 ASP 41 3.425 8.211 4.561
272 HA PRO 42 HA PRO 42 -0.021 11.303 6.854
273 1HB PRO 42 HB2 PRO 42 0.372 13.739 7.842
274 2HB PRO 42 HB1 PRO 42 0.565 12.313 8.874
275 1HG PRO 42 HG2 PRO 42 2.663 13.950 7.497
276 2HG PRO 42 HG1 PRO 42 2.644 13.335 9.161
277 1HD PRO 42 HD2 PRO 42 3.972 12.121 7.078
278 2HD PRO 42 HD1 PRO 42 3.400 11.268 8.525
279 H THR 43 HN THR 43 -0.345 11.391 4.623
280 HA THR 43 HA THR 43 -0.248 14.002 3.467
281 HB THR 43 HB THR 43 0.922 12.477 1.418
282 HG1 THR 43 HG1 THR 43 2.478 12.277 3.772
283 1HG2 THR 43 HG21 THR 43 2.670 14.038 1.449
284 2HG2 THR 43 HG22 THR 43 2.428 14.396 3.159
285 3HG2 THR 43 HG23 THR 43 1.235 14.920 1.971
286 H TYR 44 HN TYR 44 -0.726 10.545 2.857
287 HA TYR 44 HA TYR 44 -2.807 11.123 0.907
288 1HB TYR 44 HB2 TYR 44 -1.721 8.481 1.903
289 2HB TYR 44 HB1 TYR 44 -2.875 8.678 0.588
290 HD1 TYR 44 HD1 TYR 44 0.619 8.908 1.579
291 HD2 TYR 44 HD2 TYR 44 -2.160 9.674 -1.550
292 HE1 TYR 44 HE1 TYR 44 2.481 9.138 -0.010
293 HE2 TYR 44 HE2 TYR 44 -0.306 9.905 -3.148
294 HH TYR 44 HH TYR 44 2.921 9.021 -2.362
295 H GLY 45 HN GLY 45 -2.591 9.021 3.790
296 1HA GLY 45 HA2 GLY 45 -4.093 8.758 5.530
297 2HA GLY 45 HA1 GLY 45 -5.044 10.073 4.858
298 H GLN 46 HN GLN 46 -5.957 9.321 2.536
299 HA GLN 46 HA GLN 46 -7.863 7.317 3.141
300 1HB GLN 46 HB2 GLN 46 -7.727 9.398 1.362
301 2HB GLN 46 HB1 GLN 46 -7.553 8.004 0.305
302 1HG GLN 46 HG2 GLN 46 -9.643 7.139 0.919
303 2HG GLN 46 HG1 GLN 46 -9.758 8.193 2.327
304 1HE2 GLN 46 HE21 GLN 46 -11.881 8.152 0.765
305 2HE2 GLN 46 HE22 GLN 46 -11.998 9.591 -0.201
306 H TYR 47 HN TYR 47 -4.697 7.142 1.962
307 HA TYR 47 HA TYR 47 -5.027 4.794 0.345
308 1HB TYR 47 HB2 TYR 47 -3.187 6.644 0.232
309 2HB TYR 47 HB1 TYR 47 -2.419 5.644 1.458
310 HD1 TYR 47 HD1 TYR 47 -2.720 6.212 -1.981
311 HD2 TYR 47 HD2 TYR 47 -2.229 3.086 0.861
312 HE1 TYR 47 HE1 TYR 47 -1.787 4.767 -3.741
313 HE2 TYR 47 HE2 TYR 47 -1.295 1.631 -0.889
314 HH TYR 47 HH TYR 47 -1.438 2.444 -4.223
315 H ILE 48 HN ILE 48 -3.407 5.439 3.445
316 HA ILE 48 HA ILE 48 -2.932 2.721 4.036
317 HB ILE 48 HB ILE 48 -3.131 4.992 6.014
318 1HG1 ILE 48 HG12 ILE 48 -1.577 5.559 4.204
319 2HG1 ILE 48 HG11 ILE 48 -0.705 5.249 5.702
320 1HG2 ILE 48 HG21 ILE 48 -1.256 3.417 7.032
321 2HG2 ILE 48 HG22 ILE 48 -2.154 2.193 6.135
322 3HG2 ILE 48 HG23 ILE 48 -2.970 3.163 7.360
323 1HD1 ILE 48 HD11 ILE 48 0.393 4.280 3.733
324 2HD1 ILE 48 HD12 ILE 48 -1.028 3.273 3.457
325 3HD1 ILE 48 HD13 ILE 48 -0.067 3.061 4.921
326 H ARG 49 HN ARG 49 -5.314 4.991 5.425
327 HA ARG 49 HA ARG 49 -6.706 2.833 6.719
328 1HB ARG 49 HB2 ARG 49 -7.655 5.680 6.438
329 2HB ARG 49 HB1 ARG 49 -8.135 4.503 7.654
330 1HG ARG 49 HG2 ARG 49 -5.412 4.654 7.988
331 2HG ARG 49 HG1 ARG 49 -5.862 6.316 7.600
332 1HD ARG 49 HD2 ARG 49 -7.810 5.655 9.362
333 2HD ARG 49 HD1 ARG 49 -6.470 4.688 9.976
334 HE ARG 49 HE ARG 49 -5.424 6.615 10.649
335 1HH1 ARG 49 HH11 ARG 49 -8.043 7.433 8.492
336 2HH1 ARG 49 HH12 ARG 49 -7.930 9.133 8.799
337 1HH2 ARG 49 HH21 ARG 49 -5.275 8.851 11.054
338 2HH2 ARG 49 HH22 ARG 49 -6.359 9.939 10.253
339 H SER 50 HN SER 50 -6.551 2.720 3.830
340 HA SER 50 HA SER 50 -9.177 3.313 2.826
341 1HB SER 50 HB2 SER 50 -6.831 3.174 1.591
342 2HB SER 50 HB1 SER 50 -7.357 1.508 1.375
343 HG SER 50 HG SER 50 -8.075 3.577 -0.048
344 HA PRO 51 HA PRO 51 -10.970 -0.622 3.696
345 1HB PRO 51 HB2 PRO 51 -12.716 -0.796 1.539
346 2HB PRO 51 HB1 PRO 51 -13.023 0.070 3.042
347 1HG PRO 51 HG2 PRO 51 -12.583 1.149 0.411
348 2HG PRO 51 HG1 PRO 51 -12.978 2.011 1.905
349 1HD PRO 51 HD2 PRO 51 -10.416 1.732 0.550
350 2HD PRO 51 HD1 PRO 51 -10.877 2.841 1.854
351 H HIS 52 HN HIS 52 -10.185 -0.192 0.278
352 HA HIS 52 HA HIS 52 -9.918 -3.014 -0.193
353 1HB HIS 52 HB2 HIS 52 -8.852 -1.099 -2.185
354 2HB HIS 52 HB1 HIS 52 -9.901 -2.494 -2.413
355 HD1 HIS 52 HD1 HIS 52 -10.266 0.564 -3.492
356 HD2 HIS 52 HD2 HIS 52 -12.355 -1.321 -0.437
357 HE1 HIS 52 HE1 HIS 52 -12.429 1.830 -3.264
358 HE2 HIS 52 HE2 HIS 52 -13.661 0.690 -1.396
359 H ALA 53 HN ALA 53 -7.818 -0.425 0.689
360 HA ALA 53 HA ALA 53 -5.380 -1.302 -0.254
361 1HB ALA 53 HB1 ALA 53 -4.388 -0.058 1.661
362 2HB ALA 53 HB2 ALA 53 -6.023 0.174 2.281
363 3HB ALA 53 HB3 ALA 53 -5.564 0.865 0.725
364 H ARG 54 HN ARG 54 -6.914 -2.026 2.823
365 HA ARG 54 HA ARG 54 -4.959 -3.658 3.903
366 1HB ARG 54 HB2 ARG 54 -7.938 -3.936 4.298
367 2HB ARG 54 HB1 ARG 54 -6.685 -4.530 5.379
368 1HG ARG 54 HG2 ARG 54 -5.988 -2.237 5.838
369 2HG ARG 54 HG1 ARG 54 -7.239 -1.638 4.748
370 1HD ARG 54 HD2 ARG 54 -8.156 -3.483 6.852
371 2HD ARG 54 HD1 ARG 54 -7.558 -1.923 7.417
372 HE ARG 54 HE ARG 54 -9.243 -1.234 5.427
373 1HH1 ARG 54 HH11 ARG 54 -9.595 -3.302 8.216
374 2HH1 ARG 54 HH12 ARG 54 -11.291 -2.995 8.385
375 1HH2 ARG 54 HH21 ARG 54 -11.472 -0.827 5.649
376 2HH2 ARG 54 HH22 ARG 54 -12.357 -1.591 6.928
377 H ASP 55 HN ASP 55 -7.436 -4.362 1.576
378 HA ASP 55 HA ASP 55 -7.263 -7.175 1.679
379 1HB ASP 55 HB2 ASP 55 -9.066 -5.634 0.599
380 2HB ASP 55 HB1 ASP 55 -8.011 -5.746 -0.805
381 H THR 56 HN THR 56 -5.661 -4.740 -0.229
382 HA THR 56 HA THR 56 -4.333 -6.371 -2.032
383 HB THR 56 HB THR 56 -3.053 -3.927 -0.963
384 HG1 THR 56 HG1 THR 56 -5.451 -4.058 -2.434
385 1HG2 THR 56 HG21 THR 56 -3.097 -5.367 -3.520
386 2HG2 THR 56 HG22 THR 56 -1.800 -4.453 -2.750
387 3HG2 THR 56 HG23 THR 56 -3.087 -3.606 -3.609
388 H LEU 57 HN LEU 57 -3.209 -5.094 1.082
389 HA LEU 57 HA LEU 57 -0.710 -6.265 1.107
390 1HB LEU 57 HB2 LEU 57 -2.496 -5.054 3.032
391 2HB LEU 57 HB1 LEU 57 -1.465 -6.277 3.753
392 HG LEU 57 HG LEU 57 0.211 -4.697 2.156
393 1HD1 LEU 57 HD11 LEU 57 -0.324 -2.493 3.529
394 2HD1 LEU 57 HD12 LEU 57 -1.964 -3.128 3.406
395 3HD1 LEU 57 HD13 LEU 57 -1.031 -2.810 1.944
396 1HD2 LEU 57 HD21 LEU 57 0.908 -3.866 4.524
397 2HD2 LEU 57 HD22 LEU 57 1.126 -5.560 4.088
398 3HD2 LEU 57 HD23 LEU 57 -0.249 -5.075 5.079
399 H THR 58 HN THR 58 -3.735 -7.489 2.405
400 HA THR 58 HA THR 58 -2.725 -9.911 3.368
401 HB THR 58 HB THR 58 -5.541 -9.412 2.400
402 HG1 THR 58 HG1 THR 58 -4.262 -8.702 4.814
403 1HG2 THR 58 HG21 THR 58 -4.309 -11.624 3.742
404 2HG2 THR 58 HG22 THR 58 -5.961 -11.446 3.149
405 3HG2 THR 58 HG23 THR 58 -5.540 -10.886 4.768
406 H SER 59 HN SER 59 -4.106 -8.994 0.253
407 HA SER 59 HA SER 59 -4.308 -11.459 -0.946
408 1HB SER 59 HB2 SER 59 -4.886 -9.068 -1.804
409 2HB SER 59 HB1 SER 59 -3.260 -9.147 -2.469
410 HG SER 59 HG SER 59 -3.843 -10.768 -3.786
411 H CYS 60 HN CYS 60 -1.552 -9.429 -0.404
412 HA CYS 60 HA CYS 60 0.266 -11.081 -1.894
413 1HB CYS 60 HB2 CYS 60 0.302 -8.472 -1.197
414 2HB CYS 60 HB1 CYS 60 1.280 -9.136 0.100
415 H GLY 61 HN GLY 61 -0.781 -10.687 1.425
416 1HA GLY 61 HA2 GLY 61 -0.456 -12.009 3.268
417 2HA GLY 61 HA1 GLY 61 0.140 -13.249 2.177
418 H LEU 62 HN LEU 62 1.324 -10.024 3.164
419 HA LEU 62 HA LEU 62 3.896 -11.320 3.775
420 1HB LEU 62 HB2 LEU 62 4.559 -8.690 3.615
421 2HB LEU 62 HB1 LEU 62 4.739 -9.851 2.321
422 HG LEU 62 HG LEU 62 2.151 -8.917 1.956
423 1HD1 LEU 62 HD11 LEU 62 3.766 -6.878 3.322
424 2HD1 LEU 62 HD12 LEU 62 2.017 -7.019 3.147
425 3HD1 LEU 62 HD13 LEU 62 2.982 -6.348 1.834
426 1HD2 LEU 62 HD21 LEU 62 3.105 -7.766 0.027
427 2HD2 LEU 62 HD22 LEU 62 3.801 -9.375 0.225
428 3HD2 LEU 62 HD23 LEU 62 4.719 -7.951 0.712
429 H ALA 63 HN ALA 63 2.619 -8.140 4.668
430 HA ALA 63 HA ALA 63 2.427 -8.922 7.437
431 1HB ALA 63 HB1 ALA 63 4.843 -8.009 6.647
432 2HB ALA 63 HB2 ALA 63 4.199 -7.817 8.277
433 3HB ALA 63 HB3 ALA 63 4.058 -6.500 7.113
434 H VAL 64 HN VAL 64 2.340 -6.379 8.563
435 HA VAL 64 HA VAL 64 0.258 -4.968 7.112
436 HB VAL 64 HB VAL 64 0.039 -5.652 10.005
437 1HG1 VAL 64 HG11 VAL 64 -1.015 -3.522 9.270
438 2HG1 VAL 64 HG12 VAL 64 -2.154 -4.701 9.920
439 3HG1 VAL 64 HG13 VAL 64 -2.029 -4.464 8.176
440 1HG2 VAL 64 HG21 VAL 64 -0.214 -7.596 8.416
441 2HG2 VAL 64 HG22 VAL 64 -1.648 -6.778 7.796
442 3HG2 VAL 64 HG23 VAL 64 -1.583 -7.287 9.483
443 HA PRO 65 HA PRO 65 2.653 -1.389 8.150
444 1HB PRO 65 HB2 PRO 65 0.574 0.440 8.312
445 2HB PRO 65 HB1 PRO 65 1.382 -0.047 6.820
446 1HG PRO 65 HG2 PRO 65 -1.180 -1.031 8.000
447 2HG PRO 65 HG1 PRO 65 -0.792 -0.667 6.308
448 1HD PRO 65 HD2 PRO 65 -0.862 -3.187 7.175
449 2HD PRO 65 HD1 PRO 65 0.381 -2.661 6.022
450 H HIS 66 HN HIS 66 1.790 0.757 9.685
451 HA HIS 66 HA HIS 66 1.578 1.499 11.826
452 1HB HIS 66 HB2 HIS 66 0.319 -1.156 12.519
453 2HB HIS 66 HB1 HIS 66 0.100 0.389 13.333
454 HD1 HIS 66 HD1 HIS 66 -1.759 -1.752 11.340
455 HD2 HIS 66 HD2 HIS 66 -0.992 2.322 11.126
456 HE1 HIS 66 HE1 HIS 66 -3.609 -0.788 9.940
457 HE2 HIS 66 HE2 HIS 66 -3.168 1.688 9.890
458 H CYS 67 HN CYS 67 3.991 0.408 11.062
459 HA CYS 67 HA CYS 67 5.064 -1.588 12.672
460 1HB CYS 67 HB2 CYS 67 6.254 0.779 11.263
461 2HB CYS 67 HB1 CYS 67 7.261 -0.228 12.298
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 15.171 2.087 -0.303
2 2H ALA 1 HT2 ALA 1 15.063 3.515 0.643
3 3H ALA 1 HT3 ALA 1 16.465 3.211 -0.299
4 HA ALA 1 HA ALA 1 15.177 4.824 -1.377
5 1HB ALA 1 HB1 ALA 1 16.157 2.607 -2.541
6 2HB ALA 1 HB2 ALA 1 15.399 3.926 -3.434
7 3HB ALA 1 HB3 ALA 1 14.465 2.487 -3.026
8 H CYS 2 HN CYS 2 13.321 5.750 -0.749
9 HA CYS 2 HA CYS 2 10.905 4.165 -0.450
10 1HB CYS 2 HB2 CYS 2 11.479 7.092 0.039
11 2HB CYS 2 HB1 CYS 2 9.908 6.343 0.300
12 H GLN 3 HN GLN 3 11.237 3.762 -2.908
13 HA GLN 3 HA GLN 3 10.630 5.750 -4.789
14 1HB GLN 3 HB2 GLN 3 10.598 2.776 -4.760
15 2HB GLN 3 HB1 GLN 3 9.724 3.579 -6.057
16 1HG GLN 3 HG2 GLN 3 11.681 4.631 -6.854
17 2HG GLN 3 HG1 GLN 3 12.590 4.191 -5.409
18 1HE2 GLN 3 HE21 GLN 3 13.169 3.655 -8.217
19 2HE2 GLN 3 HE22 GLN 3 13.304 1.939 -8.359
20 H ALA 4 HN ALA 4 8.860 6.982 -4.666
21 HA ALA 4 HA ALA 4 6.357 5.891 -3.734
22 1HB ALA 4 HB1 ALA 4 5.710 8.407 -4.353
23 2HB ALA 4 HB2 ALA 4 7.454 8.595 -4.170
24 3HB ALA 4 HB3 ALA 4 6.490 7.961 -2.836
25 H SER 5 HN SER 5 7.741 5.472 -6.535
26 HA SER 5 HA SER 5 5.373 6.130 -8.152
27 1HB SER 5 HB2 SER 5 8.280 5.816 -8.853
28 2HB SER 5 HB1 SER 5 7.034 5.646 -10.089
29 HG SER 5 HG SER 5 7.005 7.734 -10.163
30 H GLN 6 HN GLN 6 7.314 3.559 -6.913
31 HA GLN 6 HA GLN 6 6.521 1.563 -8.743
32 1HB GLN 6 HB2 GLN 6 7.719 1.441 -5.982
33 2HB GLN 6 HB1 GLN 6 7.365 0.002 -6.930
34 1HG GLN 6 HG2 GLN 6 8.981 2.104 -8.237
35 2HG GLN 6 HG1 GLN 6 9.743 1.196 -6.932
36 1HE2 GLN 6 HE21 GLN 6 10.910 -0.415 -7.661
37 2HE2 GLN 6 HE22 GLN 6 10.544 -1.415 -9.021
38 H LEU 7 HN LEU 7 4.870 3.158 -6.292
39 HA LEU 7 HA LEU 7 3.022 0.910 -5.888
40 1HB LEU 7 HB2 LEU 7 2.928 3.406 -4.253
41 2HB LEU 7 HB1 LEU 7 2.471 1.771 -3.814
42 HG LEU 7 HG LEU 7 5.349 2.491 -4.299
43 1HD1 LEU 7 HD11 LEU 7 4.473 2.395 -1.508
44 2HD1 LEU 7 HD12 LEU 7 3.876 3.789 -2.409
45 3HD1 LEU 7 HD13 LEU 7 5.610 3.479 -2.308
46 1HD2 LEU 7 HD21 LEU 7 5.802 0.435 -3.522
47 2HD2 LEU 7 HD22 LEU 7 4.114 0.095 -3.906
48 3HD2 LEU 7 HD23 LEU 7 4.573 0.531 -2.260
49 H ALA 8 HN ALA 8 3.336 3.978 -7.379
50 HA ALA 8 HA ALA 8 0.825 5.057 -7.318
51 1HB ALA 8 HB1 ALA 8 2.880 5.981 -8.456
52 2HB ALA 8 HB2 ALA 8 1.354 6.218 -9.307
53 3HB ALA 8 HB3 ALA 8 2.468 4.954 -9.829
54 H VAL 9 HN VAL 9 1.952 2.338 -9.174
55 HA VAL 9 HA VAL 9 -0.254 2.058 -10.871
56 HB VAL 9 HB VAL 9 1.871 0.947 -11.330
57 1HG1 VAL 9 HG11 VAL 9 1.220 -0.974 -9.108
58 2HG1 VAL 9 HG12 VAL 9 2.315 0.394 -8.911
59 3HG1 VAL 9 HG13 VAL 9 2.696 -0.880 -10.069
60 1HG2 VAL 9 HG21 VAL 9 -0.116 -1.260 -10.946
61 2HG2 VAL 9 HG22 VAL 9 0.987 -0.971 -12.292
62 3HG2 VAL 9 HG23 VAL 9 -0.437 0.049 -12.084
63 H CYS 10 HN CYS 10 0.249 1.240 -7.570
64 HA CYS 10 HA CYS 10 -1.929 -0.657 -7.415
65 1HB CYS 10 HB2 CYS 10 0.247 -0.489 -5.952
66 2HB CYS 10 HB1 CYS 10 -0.704 0.661 -5.020
67 H ALA 11 HN ALA 11 -1.344 2.715 -6.812
68 HA ALA 11 HA ALA 11 -3.362 3.527 -5.194
69 1HB ALA 11 HB1 ALA 11 -2.857 5.087 -7.688
70 2HB ALA 11 HB2 ALA 11 -1.577 4.894 -6.490
71 3HB ALA 11 HB3 ALA 11 -3.100 5.661 -6.038
72 H SER 12 HN SER 12 -3.644 2.394 -8.452
73 HA SER 12 HA SER 12 -6.134 3.324 -9.183
74 1HB SER 12 HB2 SER 12 -4.391 1.803 -10.445
75 2HB SER 12 HB1 SER 12 -5.401 0.496 -9.828
76 HG SER 12 HG SER 12 -6.866 0.996 -11.244
77 H ALA 13 HN ALA 13 -5.284 0.606 -7.120
78 HA ALA 13 HA ALA 13 -8.011 -0.234 -6.795
79 1HB ALA 13 HB1 ALA 13 -6.312 -1.928 -6.769
80 2HB ALA 13 HB2 ALA 13 -7.053 -1.848 -5.170
81 3HB ALA 13 HB3 ALA 13 -5.470 -1.121 -5.446
82 H ILE 14 HN ILE 14 -5.587 1.505 -4.906
83 HA ILE 14 HA ILE 14 -7.091 1.681 -2.517
84 HB ILE 14 HB ILE 14 -4.877 3.457 -3.559
85 1HG1 ILE 14 HG12 ILE 14 -3.688 2.196 -1.596
86 2HG1 ILE 14 HG11 ILE 14 -4.974 1.012 -1.822
87 1HG2 ILE 14 HG21 ILE 14 -5.339 4.873 -1.914
88 2HG2 ILE 14 HG22 ILE 14 -4.994 3.588 -0.757
89 3HG2 ILE 14 HG23 ILE 14 -6.642 3.838 -1.331
90 1HD1 ILE 14 HD11 ILE 14 -2.591 1.003 -3.127
91 2HD1 ILE 14 HD12 ILE 14 -3.636 1.807 -4.298
92 3HD1 ILE 14 HD13 ILE 14 -4.058 0.206 -3.694
93 H LEU 15 HN LEU 15 -6.456 4.168 -4.999
94 HA LEU 15 HA LEU 15 -8.152 6.124 -4.031
95 1HB LEU 15 HB2 LEU 15 -7.333 5.473 -6.855
96 2HB LEU 15 HB1 LEU 15 -8.259 6.903 -6.439
97 HG LEU 15 HG LEU 15 -5.506 6.263 -5.378
98 1HD1 LEU 15 HD11 LEU 15 -4.897 8.267 -6.811
99 2HD1 LEU 15 HD12 LEU 15 -6.447 8.027 -7.619
100 3HD1 LEU 15 HD13 LEU 15 -5.226 6.755 -7.659
101 1HD2 LEU 15 HD21 LEU 15 -6.692 7.590 -3.793
102 2HD2 LEU 15 HD22 LEU 15 -7.313 8.650 -5.058
103 3HD2 LEU 15 HD23 LEU 15 -5.594 8.660 -4.665
104 H SER 16 HN SER 16 -9.043 4.495 -7.050
105 HA SER 16 HA SER 16 -11.817 4.887 -6.561
106 1HB SER 16 HB2 SER 16 -11.080 4.890 -8.836
107 2HB SER 16 HB1 SER 16 -10.324 3.306 -8.659
108 HG SER 16 HG SER 16 -12.377 2.399 -8.446
109 H GLY 17 HN GLY 17 -10.402 1.747 -7.410
110 1HA GLY 17 HA2 GLY 17 -10.466 0.066 -5.479
111 2HA GLY 17 HA1 GLY 17 -12.158 0.531 -5.377
112 H ALA 18 HN ALA 18 -10.152 -0.032 -8.246
113 HA ALA 18 HA ALA 18 -12.116 -1.464 -9.624
114 1HB ALA 18 HB1 ALA 18 -10.463 -0.536 -10.965
115 2HB ALA 18 HB2 ALA 18 -10.101 -2.261 -11.011
116 3HB ALA 18 HB3 ALA 18 -9.160 -1.190 -9.973
117 H LYS 19 HN LYS 19 -9.041 -2.923 -8.772
118 HA LYS 19 HA LYS 19 -10.050 -4.977 -7.142
119 1HB LYS 19 HB2 LYS 19 -9.661 -6.862 -8.830
120 2HB LYS 19 HB1 LYS 19 -11.149 -5.939 -8.983
121 1HG LYS 19 HG2 LYS 19 -10.524 -5.962 -11.158
122 2HG LYS 19 HG1 LYS 19 -9.652 -4.516 -10.647
123 1HD LYS 19 HD2 LYS 19 -7.804 -6.363 -10.065
124 2HD LYS 19 HD1 LYS 19 -8.632 -7.197 -11.381
125 1HE LYS 19 HE2 LYS 19 -7.426 -4.435 -11.489
126 2HE LYS 19 HE1 LYS 19 -6.766 -5.891 -12.232
127 1HZ LYS 19 HZ1 LYS 19 -9.070 -5.954 -13.394
128 2HZ LYS 19 HZ2 LYS 19 -7.863 -4.924 -13.980
129 3HZ LYS 19 HZ3 LYS 19 -9.110 -4.304 -13.020
130 HA PRO 20 HA PRO 20 -5.760 -5.210 -6.119
131 1HB PRO 20 HB2 PRO 20 -6.297 -8.120 -5.757
132 2HB PRO 20 HB1 PRO 20 -5.548 -6.967 -4.646
133 1HG PRO 20 HG2 PRO 20 -8.050 -7.788 -4.263
134 2HG PRO 20 HG1 PRO 20 -7.589 -6.102 -3.960
135 1HD PRO 20 HD2 PRO 20 -9.108 -7.272 -6.246
136 2HD PRO 20 HD1 PRO 20 -9.302 -5.699 -5.446
137 H SER 21 HN SER 21 -3.834 -6.790 -6.579
138 HA SER 21 HA SER 21 -3.876 -8.411 -8.878
139 1HB SER 21 HB2 SER 21 -4.096 -5.831 -9.645
140 2HB SER 21 HB1 SER 21 -2.340 -5.973 -9.570
141 HG SER 21 HG SER 21 -3.631 -6.605 -11.594
142 H GLY 22 HN GLY 22 -2.005 -9.562 -9.072
143 1HA GLY 22 HA2 GLY 22 -0.216 -9.641 -6.930
144 2HA GLY 22 HA1 GLY 22 0.056 -10.389 -8.496
145 H GLU 23 HN GLU 23 -0.159 -7.681 -9.800
146 HA GLU 23 HA GLU 23 2.524 -7.094 -10.044
147 1HB GLU 23 HB2 GLU 23 0.417 -6.387 -11.431
148 2HB GLU 23 HB1 GLU 23 0.442 -4.968 -10.383
149 1HG GLU 23 HG2 GLU 23 3.027 -5.635 -11.531
150 2HG GLU 23 HG1 GLU 23 1.793 -5.246 -12.724
151 H CYS 24 HN CYS 24 0.063 -5.462 -8.065
152 HA CYS 24 HA CYS 24 1.670 -3.479 -6.996
153 1HB CYS 24 HB2 CYS 24 -0.754 -3.442 -6.761
154 2HB CYS 24 HB1 CYS 24 -0.693 -4.872 -5.736
155 H CYS 25 HN CYS 25 1.233 -6.795 -6.033
156 HA CYS 25 HA CYS 25 2.554 -6.666 -3.543
157 1HB CYS 25 HB2 CYS 25 2.056 -8.945 -5.455
158 2HB CYS 25 HB1 CYS 25 2.861 -9.168 -3.907
159 H GLY 26 HN GLY 26 3.698 -7.319 -6.821
160 1HA GLY 26 HA2 GLY 26 6.329 -8.061 -6.145
161 2HA GLY 26 HA1 GLY 26 5.812 -7.435 -7.703
162 H ASN 27 HN ASN 27 4.943 -4.886 -6.919
163 HA ASN 27 HA ASN 27 7.368 -3.498 -6.900
164 1HB ASN 27 HB2 ASN 27 4.618 -2.418 -6.302
165 2HB ASN 27 HB1 ASN 27 6.025 -1.471 -6.775
166 1HD2 ASN 27 HD21 ASN 27 6.849 -1.719 -8.905
167 2HD2 ASN 27 HD22 ASN 27 5.822 -2.260 -10.185
168 H LEU 28 HN LEU 28 4.818 -3.495 -4.463
169 HA LEU 28 HA LEU 28 6.158 -2.139 -2.484
170 1HB LEU 28 HB2 LEU 28 4.661 -3.174 -0.874
171 2HB LEU 28 HB1 LEU 28 3.795 -2.677 -2.315
172 HG LEU 28 HG LEU 28 4.214 -5.172 -3.032
173 1HD1 LEU 28 HD11 LEU 28 5.536 -5.960 -1.261
174 2HD1 LEU 28 HD12 LEU 28 3.927 -6.613 -0.961
175 3HD1 LEU 28 HD13 LEU 28 4.497 -5.217 -0.046
176 1HD2 LEU 28 HD21 LEU 28 2.106 -3.817 -1.531
177 2HD2 LEU 28 HD22 LEU 28 2.075 -5.573 -1.372
178 3HD2 LEU 28 HD23 LEU 28 2.001 -4.831 -2.969
179 H ARG 29 HN ARG 29 6.597 -5.368 -3.587
180 HA ARG 29 HA ARG 29 7.838 -6.520 -1.411
181 1HB ARG 29 HB2 ARG 29 7.244 -7.256 -4.024
182 2HB ARG 29 HB1 ARG 29 8.996 -7.373 -3.923
183 1HG ARG 29 HG2 ARG 29 8.883 -9.240 -2.743
184 2HG ARG 29 HG1 ARG 29 7.743 -8.520 -1.606
185 1HD ARG 29 HD2 ARG 29 6.216 -8.918 -3.860
186 2HD ARG 29 HD1 ARG 29 7.269 -10.334 -3.829
187 HE ARG 29 HE ARG 29 5.999 -9.684 -1.317
188 1HH1 ARG 29 HH11 ARG 29 5.786 -11.505 -4.291
189 2HH1 ARG 29 HH12 ARG 29 4.721 -12.699 -3.631
190 1HH2 ARG 29 HH21 ARG 29 4.602 -11.260 -0.450
191 2HH2 ARG 29 HH22 ARG 29 4.046 -12.559 -1.451
192 H ALA 30 HN ALA 30 9.321 -5.016 -4.224
193 HA ALA 30 HA ALA 30 11.958 -5.178 -3.477
194 1HB ALA 30 HB1 ALA 30 11.143 -2.612 -4.696
195 2HB ALA 30 HB2 ALA 30 10.708 -4.079 -5.574
196 3HB ALA 30 HB3 ALA 30 12.397 -3.752 -5.185
197 H GLN 31 HN GLN 31 9.437 -3.222 -2.195
198 HA GLN 31 HA GLN 31 11.196 -1.412 -0.787
199 1HB GLN 31 HB2 GLN 31 8.277 -1.717 -0.176
200 2HB GLN 31 HB1 GLN 31 9.283 -0.278 -0.089
201 1HG GLN 31 HG2 GLN 31 9.444 -0.785 -2.714
202 2HG GLN 31 HG1 GLN 31 7.847 -1.446 -2.371
203 1HE2 GLN 31 HE21 GLN 31 9.702 1.348 -2.847
204 2HE2 GLN 31 HE22 GLN 31 8.460 2.515 -2.530
205 H GLN 32 HN GLN 32 8.586 -3.486 0.460
206 HA GLN 32 HA GLN 32 8.347 -4.537 2.467
207 1HB GLN 32 HB2 GLN 32 10.255 -5.775 1.002
208 2HB GLN 32 HB1 GLN 32 11.143 -5.455 2.484
209 1HG GLN 32 HG2 GLN 32 10.097 -7.085 3.563
210 2HG GLN 32 HG1 GLN 32 8.516 -6.504 3.040
211 1HE2 GLN 32 HE21 GLN 32 7.765 -7.166 0.936
212 2HE2 GLN 32 HE22 GLN 32 8.264 -8.688 0.291
213 H GLY 33 HN GLY 33 9.613 -1.780 2.460
214 1HA GLY 33 HA2 GLY 33 10.402 -1.839 5.277
215 2HA GLY 33 HA1 GLY 33 11.514 -1.104 4.130
216 H CYS 34 HN CYS 34 10.756 0.751 2.906
217 HA CYS 34 HA CYS 34 9.528 2.671 4.482
218 1HB CYS 34 HB2 CYS 34 11.039 2.901 2.375
219 2HB CYS 34 HB1 CYS 34 9.497 2.898 1.539
220 H PHE 35 HN PHE 35 8.268 0.571 2.024
221 HA PHE 35 HA PHE 35 5.754 1.629 1.602
222 1HB PHE 35 HB2 PHE 35 5.895 -0.166 0.237
223 2HB PHE 35 HB1 PHE 35 7.070 -0.943 1.283
224 HD1 PHE 35 HD1 PHE 35 3.474 -0.113 1.912
225 HD2 PHE 35 HD2 PHE 35 6.440 -3.129 1.434
226 HE1 PHE 35 HE1 PHE 35 1.823 -1.833 2.517
227 HE2 PHE 35 HE2 PHE 35 4.801 -4.849 2.044
228 HZ PHE 35 HZ PHE 35 2.484 -4.204 2.587
229 H CYS 36 HN CYS 36 6.924 -0.400 4.175
230 HA CYS 36 HA CYS 36 4.403 -0.539 5.551
231 1HB CYS 36 HB2 CYS 36 6.464 -2.162 5.680
232 2HB CYS 36 HB1 CYS 36 7.037 -1.031 6.901
233 H GLN 37 HN GLN 37 7.259 1.473 5.615
234 HA GLN 37 HA GLN 37 6.828 2.803 8.026
235 1HB GLN 37 HB2 GLN 37 8.207 3.741 5.513
236 2HB GLN 37 HB1 GLN 37 8.269 4.594 7.047
237 1HG GLN 37 HG2 GLN 37 9.203 2.400 7.995
238 2HG GLN 37 HG1 GLN 37 9.483 1.961 6.312
239 1HE2 GLN 37 HE21 GLN 37 10.594 3.796 5.030
240 2HE2 GLN 37 HE22 GLN 37 11.946 4.529 5.814
241 H TYR 38 HN TYR 38 5.527 3.260 4.839
242 HA TYR 38 HA TYR 38 4.495 5.843 5.095
243 1HB TYR 38 HB2 TYR 38 3.851 3.484 3.389
244 2HB TYR 38 HB1 TYR 38 2.701 4.817 3.427
245 HD1 TYR 38 HD1 TYR 38 3.645 7.178 2.943
246 HD2 TYR 38 HD2 TYR 38 5.690 3.578 1.964
247 HE1 TYR 38 HE1 TYR 38 5.006 8.404 1.302
248 HE2 TYR 38 HE2 TYR 38 7.057 4.794 0.321
249 HH TYR 38 HH TYR 38 7.797 7.343 0.067
250 H ALA 39 HN ALA 39 3.491 2.915 6.581
251 HA ALA 39 HA ALA 39 0.792 3.229 6.942
252 1HB ALA 39 HB1 ALA 39 1.231 2.077 9.202
253 2HB ALA 39 HB2 ALA 39 2.914 2.037 8.676
254 3HB ALA 39 HB3 ALA 39 1.671 1.229 7.720
255 H LYS 40 HN LYS 40 3.355 5.076 8.326
256 HA LYS 40 HA LYS 40 1.455 6.430 10.115
257 1HB LYS 40 HB2 LYS 40 4.258 5.666 10.387
258 2HB LYS 40 HB1 LYS 40 3.973 7.352 10.797
259 1HG LYS 40 HG2 LYS 40 3.782 6.101 12.796
260 2HG LYS 40 HG1 LYS 40 2.148 6.576 12.328
261 1HD LYS 40 HD2 LYS 40 1.860 4.349 12.878
262 2HD LYS 40 HD1 LYS 40 2.109 4.263 11.133
263 1HE LYS 40 HE2 LYS 40 4.017 3.116 11.354
264 2HE LYS 40 HE1 LYS 40 4.594 4.158 12.654
265 1HZ LYS 40 HZ1 LYS 40 4.304 2.280 13.843
266 2HZ LYS 40 HZ2 LYS 40 3.136 1.644 12.798
267 3HZ LYS 40 HZ3 LYS 40 2.703 2.820 13.934
268 H ASP 41 HN ASP 41 3.460 6.808 7.353
269 HA ASP 41 HA ASP 41 3.903 9.566 7.361
270 1HB ASP 41 HB2 ASP 41 4.930 7.878 5.798
271 2HB ASP 41 HB1 ASP 41 3.403 7.866 4.912
272 HA PRO 42 HA PRO 42 -0.409 10.745 6.796
273 1HB PRO 42 HB2 PRO 42 -0.131 13.343 7.391
274 2HB PRO 42 HB1 PRO 42 -0.064 12.094 8.641
275 1HG PRO 42 HG2 PRO 42 2.177 13.556 7.300
276 2HG PRO 42 HG1 PRO 42 1.976 13.142 9.012
277 1HD PRO 42 HD2 PRO 42 3.535 11.715 7.259
278 2HD PRO 42 HD1 PRO 42 2.799 11.027 8.719
279 H THR 43 HN THR 43 2.183 11.291 4.810
280 HA THR 43 HA THR 43 1.573 13.466 3.232
281 HB THR 43 HB THR 43 2.667 12.197 1.363
282 HG1 THR 43 HG1 THR 43 2.539 10.129 3.280
283 1HG2 THR 43 HG21 THR 43 3.880 12.637 4.002
284 2HG2 THR 43 HG22 THR 43 4.372 13.208 2.408
285 3HG2 THR 43 HG23 THR 43 4.761 11.565 2.915
286 H TYR 44 HN TYR 44 0.211 10.207 3.088
287 HA TYR 44 HA TYR 44 -1.689 11.129 1.042
288 1HB TYR 44 HB2 TYR 44 -1.061 8.297 1.902
289 2HB TYR 44 HB1 TYR 44 -2.103 8.773 0.565
290 HD1 TYR 44 HD1 TYR 44 -1.191 9.360 -1.558
291 HD2 TYR 44 HD2 TYR 44 1.391 8.678 1.754
292 HE1 TYR 44 HE1 TYR 44 0.741 9.330 -3.078
293 HE2 TYR 44 HE2 TYR 44 3.331 8.646 0.243
294 HH TYR 44 HH TYR 44 3.592 8.078 -2.405
295 H GLY 45 HN GLY 45 -1.701 8.902 3.836
296 1HA GLY 45 HA2 GLY 45 -3.165 8.818 5.630
297 2HA GLY 45 HA1 GLY 45 -3.966 10.249 5.000
298 H GLN 46 HN GLN 46 -5.040 9.676 2.718
299 HA GLN 46 HA GLN 46 -7.136 7.870 3.339
300 1HB GLN 46 HB2 GLN 46 -7.186 9.994 1.862
301 2HB GLN 46 HB1 GLN 46 -6.604 8.937 0.583
302 1HG GLN 46 HG2 GLN 46 -8.585 7.896 0.351
303 2HG GLN 46 HG1 GLN 46 -8.952 7.973 2.074
304 1HE2 GLN 46 HE21 GLN 46 -10.247 8.795 -0.646
305 2HE2 GLN 46 HE22 GLN 46 -10.926 10.350 -0.277
306 H TYR 47 HN TYR 47 -4.095 7.513 1.785
307 HA TYR 47 HA TYR 47 -4.754 5.247 0.187
308 1HB TYR 47 HB2 TYR 47 -2.745 6.914 0.009
309 2HB TYR 47 HB1 TYR 47 -2.001 5.779 1.128
310 HD1 TYR 47 HD1 TYR 47 -1.537 3.459 0.445
311 HD2 TYR 47 HD2 TYR 47 -3.062 6.339 -2.289
312 HE1 TYR 47 HE1 TYR 47 -0.877 2.015 -1.434
313 HE2 TYR 47 HE2 TYR 47 -2.409 4.903 -4.175
314 HH TYR 47 HH TYR 47 -0.353 2.221 -3.818
315 H ILE 48 HN ILE 48 -3.036 5.667 3.258
316 HA ILE 48 HA ILE 48 -2.660 2.905 3.728
317 HB ILE 48 HB ILE 48 -2.682 5.158 5.738
318 1HG1 ILE 48 HG12 ILE 48 -1.077 5.470 3.859
319 2HG1 ILE 48 HG11 ILE 48 -0.285 5.268 5.418
320 1HG2 ILE 48 HG21 ILE 48 -1.442 2.413 5.906
321 2HG2 ILE 48 HG22 ILE 48 -2.897 2.937 6.755
322 3HG2 ILE 48 HG23 ILE 48 -1.341 3.680 7.129
323 1HD1 ILE 48 HD11 ILE 48 -0.526 3.255 3.203
324 2HD1 ILE 48 HD12 ILE 48 0.043 2.856 4.824
325 3HD1 ILE 48 HD13 ILE 48 0.938 4.009 3.834
326 H ARG 49 HN ARG 49 -4.952 5.238 5.164
327 HA ARG 49 HA ARG 49 -6.399 3.123 6.470
328 1HB ARG 49 HB2 ARG 49 -7.309 5.978 6.187
329 2HB ARG 49 HB1 ARG 49 -7.750 4.821 7.435
330 1HG ARG 49 HG2 ARG 49 -5.352 4.851 8.173
331 2HG ARG 49 HG1 ARG 49 -5.104 6.196 7.057
332 1HD ARG 49 HD2 ARG 49 -6.909 7.430 8.235
333 2HD ARG 49 HD1 ARG 49 -6.998 6.112 9.402
334 HE ARG 49 HE ARG 49 -4.357 7.184 9.141
335 1HH1 ARG 49 HH11 ARG 49 -7.452 7.636 10.685
336 2HH1 ARG 49 HH12 ARG 49 -6.797 8.516 12.025
337 1HH2 ARG 49 HH21 ARG 49 -3.491 8.342 10.903
338 2HH2 ARG 49 HH22 ARG 49 -4.548 8.918 12.149
339 H SER 50 HN SER 50 -6.268 2.997 3.580
340 HA SER 50 HA SER 50 -8.880 3.663 2.589
341 1HB SER 50 HB2 SER 50 -6.553 3.464 1.337
342 2HB SER 50 HB1 SER 50 -7.109 1.806 1.137
343 HG SER 50 HG SER 50 -8.360 4.179 0.259
344 HA PRO 51 HA PRO 51 -10.888 -0.102 3.732
345 1HB PRO 51 HB2 PRO 51 -12.816 -0.242 1.834
346 2HB PRO 51 HB1 PRO 51 -12.864 0.929 3.157
347 1HG PRO 51 HG2 PRO 51 -11.985 1.310 0.321
348 2HG PRO 51 HG1 PRO 51 -12.984 2.369 1.334
349 1HD PRO 51 HD2 PRO 51 -10.343 2.816 0.905
350 2HD PRO 51 HD1 PRO 51 -11.159 3.267 2.415
351 H HIS 52 HN HIS 52 -10.193 0.273 0.267
352 HA HIS 52 HA HIS 52 -10.165 -2.570 -0.182
353 1HB HIS 52 HB2 HIS 52 -9.014 -0.621 -2.138
354 2HB HIS 52 HB1 HIS 52 -9.937 -2.089 -2.438
355 HD1 HIS 52 HD1 HIS 52 -12.571 -1.899 -1.976
356 HD2 HIS 52 HD2 HIS 52 -10.480 1.689 -2.122
357 HE1 HIS 52 HE1 HIS 52 -14.317 -0.115 -2.279
358 HE2 HIS 52 HE2 HIS 52 -13.022 2.040 -2.440
359 H ALA 53 HN ALA 53 -7.881 -0.230 0.825
360 HA ALA 53 HA ALA 53 -5.516 -1.258 -0.187
361 1HB ALA 53 HB1 ALA 53 -4.488 -0.201 1.895
362 2HB ALA 53 HB2 ALA 53 -6.132 0.300 2.291
363 3HB ALA 53 HB3 ALA 53 -5.376 0.855 0.797
364 H ARG 54 HN ARG 54 -6.972 -1.837 2.965
365 HA ARG 54 HA ARG 54 -5.169 -3.730 3.871
366 1HB ARG 54 HB2 ARG 54 -7.505 -2.565 4.831
367 2HB ARG 54 HB1 ARG 54 -7.864 -4.286 4.787
368 1HG ARG 54 HG2 ARG 54 -6.228 -4.804 6.332
369 2HG ARG 54 HG1 ARG 54 -5.320 -3.323 6.019
370 1HD ARG 54 HD2 ARG 54 -6.621 -3.465 8.213
371 2HD ARG 54 HD1 ARG 54 -6.819 -2.008 7.242
372 HE ARG 54 HE ARG 54 -9.006 -2.607 6.810
373 1HH1 ARG 54 HH11 ARG 54 -7.360 -5.222 8.441
374 2HH1 ARG 54 HH12 ARG 54 -8.818 -6.092 8.779
375 1HH2 ARG 54 HH21 ARG 54 -10.921 -3.755 7.254
376 2HH2 ARG 54 HH22 ARG 54 -10.838 -5.262 8.105
377 H ASP 55 HN ASP 55 -7.942 -4.064 1.803
378 HA ASP 55 HA ASP 55 -8.129 -6.872 1.875
379 1HB ASP 55 HB2 ASP 55 -9.806 -5.098 0.966
380 2HB ASP 55 HB1 ASP 55 -8.905 -5.327 -0.528
381 H THR 56 HN THR 56 -6.601 -4.685 -0.405
382 HA THR 56 HA THR 56 -5.565 -6.594 -2.131
383 HB THR 56 HB THR 56 -4.090 -4.091 -1.567
384 HG1 THR 56 HG1 THR 56 -5.623 -2.910 -2.662
385 1HG2 THR 56 HG21 THR 56 -3.911 -5.934 -3.589
386 2HG2 THR 56 HG22 THR 56 -3.274 -4.289 -3.618
387 3HG2 THR 56 HG23 THR 56 -4.865 -4.631 -4.298
388 H LEU 57 HN LEU 57 -4.092 -5.019 0.675
389 HA LEU 57 HA LEU 57 -1.644 -6.338 0.542
390 1HB LEU 57 HB2 LEU 57 -3.044 -4.641 2.416
391 2HB LEU 57 HB1 LEU 57 -2.019 -5.819 3.218
392 HG LEU 57 HG LEU 57 -0.528 -4.656 1.104
393 1HD1 LEU 57 HD11 LEU 57 -1.618 -2.669 0.950
394 2HD1 LEU 57 HD12 LEU 57 -0.558 -2.300 2.310
395 3HD1 LEU 57 HD13 LEU 57 -2.237 -2.755 2.599
396 1HD2 LEU 57 HD21 LEU 57 0.772 -5.364 2.824
397 2HD2 LEU 57 HD22 LEU 57 -0.400 -4.883 4.051
398 3HD2 LEU 57 HD23 LEU 57 0.626 -3.669 3.287
399 H THR 58 HN THR 58 -4.542 -7.025 2.397
400 HA THR 58 HA THR 58 -3.594 -9.301 3.703
401 HB THR 58 HB THR 58 -6.430 -8.573 2.950
402 HG1 THR 58 HG1 THR 58 -5.168 -7.133 4.362
403 1HG2 THR 58 HG21 THR 58 -7.196 -10.377 3.969
404 2HG2 THR 58 HG22 THR 58 -6.189 -10.068 5.383
405 3HG2 THR 58 HG23 THR 58 -5.543 -10.989 4.024
406 H SER 59 HN SER 59 -5.296 -8.914 0.621
407 HA SER 59 HA SER 59 -5.747 -11.542 -0.023
408 1HB SER 59 HB2 SER 59 -6.291 -9.348 -1.306
409 2HB SER 59 HB1 SER 59 -4.742 -9.658 -2.078
410 HG SER 59 HG SER 59 -5.886 -10.891 -3.342
411 H CYS 60 HN CYS 60 -2.848 -9.650 -0.212
412 HA CYS 60 HA CYS 60 -1.281 -11.719 -1.449
413 1HB CYS 60 HB2 CYS 60 -1.066 -9.023 -1.364
414 2HB CYS 60 HB1 CYS 60 0.045 -9.463 -0.074
415 H GLY 61 HN GLY 61 -1.752 -10.349 1.782
416 1HA GLY 61 HA2 GLY 61 -1.172 -11.121 3.858
417 2HA GLY 61 HA1 GLY 61 -1.130 -12.720 3.131
418 H LEU 62 HN LEU 62 0.881 -9.813 2.675
419 HA LEU 62 HA LEU 62 3.212 -11.500 3.301
420 1HB LEU 62 HB2 LEU 62 4.485 -9.768 1.911
421 2HB LEU 62 HB1 LEU 62 3.502 -10.953 1.075
422 HG LEU 62 HG LEU 62 1.682 -9.140 1.012
423 1HD1 LEU 62 HD11 LEU 62 2.115 -7.214 2.032
424 2HD1 LEU 62 HD12 LEU 62 3.420 -6.932 0.882
425 3HD1 LEU 62 HD13 LEU 62 3.755 -7.738 2.412
426 1HD2 LEU 62 HD21 LEU 62 2.488 -8.332 -1.053
427 2HD2 LEU 62 HD22 LEU 62 3.156 -9.954 -0.877
428 3HD2 LEU 62 HD23 LEU 62 4.170 -8.545 -0.569
429 H ALA 63 HN ALA 63 1.839 -8.257 3.657
430 HA ALA 63 HA ALA 63 3.282 -7.964 6.137
431 1HB ALA 63 HB1 ALA 63 4.697 -7.054 4.193
432 2HB ALA 63 HB2 ALA 63 4.482 -6.042 5.622
433 3HB ALA 63 HB3 ALA 63 3.535 -5.727 4.167
434 H VAL 64 HN VAL 64 2.720 -5.708 7.110
435 HA VAL 64 HA VAL 64 0.063 -4.816 6.410
436 HB VAL 64 HB VAL 64 0.378 -6.717 8.388
437 1HG1 VAL 64 HG11 VAL 64 1.400 -4.955 9.832
438 2HG1 VAL 64 HG12 VAL 64 -0.042 -5.712 10.509
439 3HG1 VAL 64 HG13 VAL 64 -0.145 -4.105 9.791
440 1HG2 VAL 64 HG21 VAL 64 -1.883 -6.661 8.464
441 2HG2 VAL 64 HG22 VAL 64 -1.664 -5.622 7.056
442 3HG2 VAL 64 HG23 VAL 64 -1.945 -4.908 8.644
443 HA PRO 65 HA PRO 65 1.818 -0.913 7.582
444 1HB PRO 65 HB2 PRO 65 -0.372 0.582 7.867
445 2HB PRO 65 HB1 PRO 65 0.044 -0.107 6.288
446 1HG PRO 65 HG2 PRO 65 -1.807 -1.228 8.383
447 2HG PRO 65 HG1 PRO 65 -2.171 -0.893 6.673
448 1HD PRO 65 HD2 PRO 65 -1.494 -3.348 7.468
449 2HD PRO 65 HD1 PRO 65 -0.877 -2.696 5.932
450 H HIS 66 HN HIS 66 1.376 -2.842 9.743
451 HA HIS 66 HA HIS 66 1.072 -0.935 11.955
452 1HB HIS 66 HB2 HIS 66 0.177 -3.824 12.036
453 2HB HIS 66 HB1 HIS 66 -0.016 -2.623 13.308
454 HD1 HIS 66 HD1 HIS 66 -1.561 -0.487 12.526
455 HD2 HIS 66 HD2 HIS 66 -2.004 -4.056 10.453
456 HE1 HIS 66 HE1 HIS 66 -3.781 -0.330 11.377
457 HE2 HIS 66 HE2 HIS 66 -3.986 -2.451 10.043
458 H CYS 67 HN CYS 67 3.442 -1.884 10.528
459 HA CYS 67 HA CYS 67 4.772 -3.708 12.337
460 1HB CYS 67 HB2 CYS 67 6.711 -3.407 10.832
461 2HB CYS 67 HB1 CYS 67 5.255 -3.868 9.958