NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
572085 |
2miq   |
19682 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H1 SER 1 15.417 44.477 -70.680
2 H2 SER 1 H2 SER 1 13.774 44.658 -70.335
3 H3 SER 1 H3 SER 1 14.258 43.991 -71.810
4 HA SER 1 HA SER 1 15.172 42.087 -70.732
5 HB2 SER 1 HB2 SER 1 14.157 43.361 -68.151
6 HB3 SER 1 HB3 SER 1 14.936 41.783 -68.293
7 HG SER 1 HG SER 1 16.304 43.590 -67.630
8 H HIS 2 H HIS 2 13.683 40.900 -71.844
9 HA HIS 2 HA HIS 2 10.847 40.889 -70.953
10 HB2 HIS 2 HB2 HIS 2 11.304 41.669 -73.332
11 HB3 HIS 2 HB3 HIS 2 11.936 40.068 -73.690
12 HD2 HIS 2 HD2 HIS 2 9.980 38.040 -73.959
13 HE1 HIS 2 HE1 HIS 2 6.707 40.711 -73.854
14 HE2 HIS 2 HE2 HIS 2 7.415 38.308 -74.181
15 H MET 3 H MET 3 11.690 39.471 -69.249
16 HA MET 3 HA MET 3 12.255 36.680 -70.081
17 HB2 MET 3 HB2 MET 3 13.173 36.357 -67.788
18 HB3 MET 3 HB3 MET 3 14.023 37.608 -68.681
19 HG2 MET 3 HG2 MET 3 11.894 38.195 -66.606
20 HG3 MET 3 HG3 MET 3 13.624 38.124 -66.255
21 HE1 MET 3 HE1 MET 3 12.994 41.973 -66.098
22 HE2 MET 3 HE2 MET 3 13.672 40.572 -65.272
23 HE3 MET 3 HE3 MET 3 11.929 40.690 -65.517
24 H SER 4 H SER 4 9.606 37.981 -70.002
25 HA SER 4 HA SER 4 8.158 36.672 -67.832
26 HB2 SER 4 HB2 SER 4 6.168 37.814 -68.963
27 HB3 SER 4 HB3 SER 4 7.419 38.909 -68.372
28 HG SER 4 HG SER 4 6.979 38.052 -71.040
29 H GLY 5 H GLY 5 8.898 34.529 -68.573
30 HA2 GLY 5 HA2 GLY 5 8.086 33.325 -71.024
31 HA3 GLY 5 HA3 GLY 5 8.565 32.482 -69.558
32 H GLY 6 H GLY 6 6.624 33.413 -67.783
33 HA2 GLY 6 HA2 GLY 6 4.408 33.362 -67.149
34 HA3 GLY 6 HA3 GLY 6 3.947 33.195 -68.835
35 H SER 7 H SER 7 5.116 31.425 -65.994
36 HA SER 7 HA SER 7 3.681 29.008 -66.917
37 HB2 SER 7 HB2 SER 7 6.475 29.045 -65.678
38 HB3 SER 7 HB3 SER 7 5.543 27.592 -66.046
39 HG SER 7 HG SER 7 5.588 28.982 -68.264
40 HA PRO 8 HA PRO 8 2.317 29.950 -62.557
41 HB2 PRO 8 HB2 PRO 8 -0.329 29.306 -62.949
42 HB3 PRO 8 HB3 PRO 8 0.319 30.918 -63.324
43 HG2 PRO 8 HG2 PRO 8 -0.226 28.630 -65.199
44 HG3 PRO 8 HG3 PRO 8 -0.577 30.362 -65.408
45 HD2 PRO 8 HD2 PRO 8 1.602 29.171 -66.546
46 HD3 PRO 8 HD3 PRO 8 1.608 30.872 -66.036
47 H LEU 9 H LEU 9 2.106 28.380 -60.978
48 HA LEU 9 HA LEU 9 2.113 25.535 -61.786
49 HB2 LEU 9 HB2 LEU 9 2.913 26.879 -59.173
50 HB3 LEU 9 HB3 LEU 9 2.947 25.144 -59.445
51 HG LEU 9 HG LEU 9 4.690 27.221 -60.829
52 HD11 LEU 9 HD11 LEU 9 6.546 26.158 -59.637
53 HD12 LEU 9 HD12 LEU 9 5.421 25.062 -58.829
54 HD13 LEU 9 HD13 LEU 9 5.348 26.798 -58.515
55 HD21 LEU 9 HD21 LEU 9 4.171 25.428 -62.416
56 HD22 LEU 9 HD22 LEU 9 4.659 24.205 -61.239
57 HD23 LEU 9 HD23 LEU 9 5.852 25.326 -61.904
58 H ALA 10 H ALA 10 -0.283 26.443 -62.164
59 HA ALA 10 HA ALA 10 -2.032 26.565 -59.902
60 HB1 ALA 10 HB1 ALA 10 -3.854 26.551 -61.561
61 HB2 ALA 10 HB2 ALA 10 -2.702 26.146 -62.835
62 HB3 ALA 10 HB3 ALA 10 -2.591 27.701 -62.012
63 H THR 11 H THR 11 -1.547 24.714 -58.740
64 HA THR 11 HA THR 11 -2.759 22.187 -59.681
65 HB THR 11 HB THR 11 -0.148 22.482 -58.114
66 HG1 THR 11 HG1 THR 11 -0.688 22.354 -60.737
67 HG21 THR 11 HG21 THR 11 0.013 20.014 -58.226
68 HG22 THR 11 HG22 THR 11 -1.584 19.937 -58.966
69 HG23 THR 11 HG23 THR 11 -1.409 20.511 -57.306
70 H GLY 12 H GLY 12 -4.609 22.268 -58.518
71 HA2 GLY 12 HA2 GLY 12 -4.628 23.022 -55.673
72 HA3 GLY 12 HA3 GLY 12 -6.025 22.729 -56.700
73 H THR 13 H THR 13 -5.984 21.662 -54.237
74 HA THR 13 HA THR 13 -6.456 18.892 -54.850
75 HB THR 13 HB THR 13 -4.034 18.764 -54.240
76 HG1 THR 13 HG1 THR 13 -5.380 17.002 -53.724
77 HG21 THR 13 HG21 THR 13 -4.869 19.757 -51.488
78 HG22 THR 13 HG22 THR 13 -3.889 20.667 -52.638
79 HG23 THR 13 HG23 THR 13 -3.263 19.172 -51.942
80 H THR 14 H THR 14 -8.080 18.071 -53.508
81 HA THR 14 HA THR 14 -9.469 19.990 -51.832
82 HB THR 14 HB THR 14 -10.155 17.085 -52.456
83 HG1 THR 14 HG1 THR 14 -10.084 18.953 -54.137
84 HG21 THR 14 HG21 THR 14 -12.457 17.679 -51.746
85 HG22 THR 14 HG22 THR 14 -11.897 19.280 -51.266
86 HG23 THR 14 HG23 THR 14 -11.318 17.852 -50.405
87 H ALA 15 H ALA 15 -8.026 20.330 -50.132
88 HA ALA 15 HA ALA 15 -7.342 18.151 -48.289
89 HB1 ALA 15 HB1 ALA 15 -5.588 19.797 -48.829
90 HB2 ALA 15 HB2 ALA 15 -6.000 19.872 -47.114
91 HB3 ALA 15 HB3 ALA 15 -6.607 21.104 -48.225
92 H ASN 16 H ASN 16 -9.226 17.580 -47.293
93 HA ASN 16 HA ASN 16 -10.629 19.591 -45.636
94 HB2 ASN 16 HB2 ASN 16 -11.986 19.146 -47.689
95 HB3 ASN 16 HB3 ASN 16 -11.983 17.426 -47.316
96 HD21 ASN 16 HD21 ASN 16 -13.268 20.543 -46.451
97 HD22 ASN 16 HD22 ASN 16 -14.515 19.968 -45.405
98 H THR 17 H THR 17 -10.619 18.968 -43.577
99 HA THR 17 HA THR 17 -10.790 16.113 -42.820
100 HB THR 17 HB THR 17 -9.267 16.700 -40.824
101 HG1 THR 17 HG1 THR 17 -8.648 18.947 -42.482
102 HG21 THR 17 HG21 THR 17 -7.155 16.433 -42.071
103 HG22 THR 17 HG22 THR 17 -7.977 16.852 -43.575
104 HG23 THR 17 HG23 THR 17 -8.403 15.365 -42.724
105 H ARG 18 H ARG 18 -12.807 16.022 -42.031
106 HA ARG 18 HA ARG 18 -14.105 18.185 -40.615
107 HB2 ARG 18 HB2 ARG 18 -14.989 15.314 -41.154
108 HB3 ARG 18 HB3 ARG 18 -16.000 16.541 -40.392
109 HG2 ARG 18 HG2 ARG 18 -15.892 17.909 -42.454
110 HG3 ARG 18 HG3 ARG 18 -14.891 16.674 -43.224
111 HD2 ARG 18 HD2 ARG 18 -16.728 15.064 -43.095
112 HD3 ARG 18 HD3 ARG 18 -17.719 16.227 -42.206
113 HE ARG 18 HE ARG 18 -16.827 17.185 -44.770
114 HH11 ARG 18 HH11 ARG 18 -19.371 15.350 -43.169
115 HH12 ARG 18 HH12 ARG 18 -20.527 15.649 -44.426
116 HH21 ARG 18 HH21 ARG 18 -18.364 17.561 -46.388
117 HH22 ARG 18 HH22 ARG 18 -19.960 16.895 -46.240
118 H GLY 19 H GLY 19 -12.972 18.581 -38.759
119 HA2 GLY 19 HA2 GLY 19 -12.201 16.545 -36.851
120 HA3 GLY 19 HA3 GLY 19 -12.097 18.289 -36.649
121 H ALA 20 H ALA 20 -14.192 15.492 -36.388
122 HA ALA 20 HA ALA 20 -16.578 16.633 -35.440
123 HB1 ALA 20 HB1 ALA 20 -16.360 14.269 -36.153
124 HB2 ALA 20 HB2 ALA 20 -17.082 14.389 -34.549
125 HB3 ALA 20 HB3 ALA 20 -15.387 13.922 -34.723
126 H SER 21 H SER 21 -16.866 17.844 -33.659
127 HA SER 21 HA SER 21 -14.908 17.698 -31.442
128 HB2 SER 21 HB2 SER 21 -14.619 19.699 -32.885
129 HB3 SER 21 HB3 SER 21 -16.302 20.144 -32.612
130 HG SER 21 HG SER 21 -15.851 20.641 -30.549
131 H GLN 22 H GLN 22 -16.536 16.109 -30.618
132 HA GLN 22 HA GLN 22 -18.735 17.402 -29.106
133 HB2 GLN 22 HB2 GLN 22 -18.210 14.438 -29.630
134 HB3 GLN 22 HB3 GLN 22 -19.492 15.053 -28.598
135 HG2 GLN 22 HG2 GLN 22 -20.496 14.481 -30.685
136 HG3 GLN 22 HG3 GLN 22 -20.449 16.237 -30.598
137 HE21 GLN 22 HE21 GLN 22 -20.628 16.442 -32.854
138 HE22 GLN 22 HE22 GLN 22 -19.336 16.059 -33.933
139 H LYS 23 H LYS 23 -17.776 18.293 -27.383
140 HA LYS 23 HA LYS 23 -15.399 17.481 -26.128
141 HB2 LYS 23 HB2 LYS 23 -15.929 19.197 -24.434
142 HB3 LYS 23 HB3 LYS 23 -16.262 19.800 -26.053
143 HG2 LYS 23 HG2 LYS 23 -18.686 19.380 -25.705
144 HG3 LYS 23 HG3 LYS 23 -18.346 18.778 -24.085
145 HD2 LYS 23 HD2 LYS 23 -19.153 21.051 -23.916
146 HD3 LYS 23 HD3 LYS 23 -17.444 21.029 -23.476
147 HE2 LYS 23 HE2 LYS 23 -16.863 21.875 -25.728
148 HE3 LYS 23 HE3 LYS 23 -18.574 21.875 -26.166
149 HZ1 LYS 23 HZ1 LYS 23 -18.974 23.495 -24.412
150 HZ2 LYS 23 HZ2 LYS 23 -17.845 24.071 -25.529
151 HZ3 LYS 23 HZ3 LYS 23 -17.328 23.508 -24.019
152 H LYS 24 H LYS 24 -18.768 16.763 -25.371
153 HA LYS 24 HA LYS 24 -17.974 14.851 -23.250
154 HB2 LYS 24 HB2 LYS 24 -20.320 16.801 -23.233
155 HB3 LYS 24 HB3 LYS 24 -20.206 15.423 -22.143
156 HG2 LYS 24 HG2 LYS 24 -18.055 16.380 -21.264
157 HG3 LYS 24 HG3 LYS 24 -18.354 17.821 -22.249
158 HD2 LYS 24 HD2 LYS 24 -20.465 18.228 -21.036
159 HD3 LYS 24 HD3 LYS 24 -20.228 16.752 -20.095
160 HE2 LYS 24 HE2 LYS 24 -19.611 18.689 -18.753
161 HE3 LYS 24 HE3 LYS 24 -18.167 17.743 -19.115
162 HZ1 LYS 24 HZ1 LYS 24 -17.735 20.080 -19.388
163 HZ2 LYS 24 HZ2 LYS 24 -19.015 20.241 -20.480
164 HZ3 LYS 24 HZ3 LYS 24 -17.661 19.323 -20.895
165 H GLY 25 H GLY 25 -18.298 14.273 -26.017
166 HA2 GLY 25 HA2 GLY 25 -20.787 13.062 -26.656
167 HA3 GLY 25 HA3 GLY 25 -19.226 12.636 -27.346
168 H GLY 26 H GLY 26 -18.204 12.082 -24.566
169 HA2 GLY 26 HA2 GLY 26 -19.781 9.945 -23.426
170 HA3 GLY 26 HA3 GLY 26 -18.304 9.399 -24.226
171 H GLU 27 H GLU 27 -19.178 12.198 -22.193
172 HA GLU 27 HA GLU 27 -17.259 11.481 -20.112
173 HB2 GLU 27 HB2 GLU 27 -15.895 12.738 -21.782
174 HB3 GLU 27 HB3 GLU 27 -17.001 14.102 -21.652
175 HG2 GLU 27 HG2 GLU 27 -16.360 14.359 -19.257
176 HG3 GLU 27 HG3 GLU 27 -15.229 13.018 -19.436
177 HA PRO 28 HA PRO 28 -21.025 13.591 -18.409
178 HB2 PRO 28 HB2 PRO 28 -21.655 11.832 -16.456
179 HB3 PRO 28 HB3 PRO 28 -21.966 11.447 -18.165
180 HG2 PRO 28 HG2 PRO 28 -19.710 10.516 -16.410
181 HG3 PRO 28 HG3 PRO 28 -20.674 9.596 -17.585
182 HD2 PRO 28 HD2 PRO 28 -18.156 10.666 -18.130
183 HD3 PRO 28 HD3 PRO 28 -19.358 10.251 -19.371
184 HA PRO 29 HA PRO 29 -18.748 15.785 -15.113
185 HB2 PRO 29 HB2 PRO 29 -21.420 16.868 -14.308
186 HB3 PRO 29 HB3 PRO 29 -19.973 17.740 -14.850
187 HG2 PRO 29 HG2 PRO 29 -22.112 17.552 -16.439
188 HG3 PRO 29 HG3 PRO 29 -20.464 17.457 -17.106
189 HD2 PRO 29 HD2 PRO 29 -22.374 15.193 -16.503
190 HD3 PRO 29 HD3 PRO 29 -21.373 15.460 -17.950
191 H ALA 30 H ALA 30 -18.103 14.288 -13.624
192 HA ALA 30 HA ALA 30 -19.884 12.584 -12.154
193 HB1 ALA 30 HB1 ALA 30 -17.668 11.805 -12.883
194 HB2 ALA 30 HB2 ALA 30 -17.829 11.683 -11.129
195 HB3 ALA 30 HB3 ALA 30 -16.891 12.998 -11.842
196 H LEU 31 H LEU 31 -20.720 12.856 -10.163
197 HA LEU 31 HA LEU 31 -20.200 15.272 -8.606
198 HB2 LEU 31 HB2 LEU 31 -22.178 12.998 -8.145
199 HB3 LEU 31 HB3 LEU 31 -22.118 14.493 -7.222
200 HG LEU 31 HG LEU 31 -22.827 14.255 -10.176
201 HD11 LEU 31 HD11 LEU 31 -25.088 14.904 -9.499
202 HD12 LEU 31 HD12 LEU 31 -24.599 14.881 -7.801
203 HD13 LEU 31 HD13 LEU 31 -24.594 13.388 -8.746
204 HD21 LEU 31 HD21 LEU 31 -23.401 16.655 -10.055
205 HD22 LEU 31 HD22 LEU 31 -21.690 16.375 -9.758
206 HD23 LEU 31 HD23 LEU 31 -22.768 16.725 -8.405
207 H ILE 32 H ILE 32 -19.845 15.132 -6.276
208 HA ILE 32 HA ILE 32 -17.560 13.521 -5.707
209 HB ILE 32 HB ILE 32 -17.592 14.650 -3.443
210 HG12 ILE 32 HG12 ILE 32 -19.979 16.202 -4.575
211 HG13 ILE 32 HG13 ILE 32 -20.060 15.049 -3.248
212 HG21 ILE 32 HG21 ILE 32 -16.307 15.568 -5.324
213 HG22 ILE 32 HG22 ILE 32 -16.940 16.867 -4.316
214 HG23 ILE 32 HG23 ILE 32 -17.712 16.494 -5.860
215 HD11 ILE 32 HD11 ILE 32 -18.603 17.695 -3.231
216 HD12 ILE 32 HD12 ILE 32 -18.602 16.524 -1.908
217 HD13 ILE 32 HD13 ILE 32 -20.108 17.299 -2.400
218 H VAL 33 H VAL 33 -17.901 11.395 -5.508
219 HA VAL 33 HA VAL 33 -20.097 10.158 -4.160
220 HB VAL 33 HB VAL 33 -18.857 8.027 -4.449
221 HG11 VAL 33 HG11 VAL 33 -18.755 8.016 -6.927
222 HG12 VAL 33 HG12 VAL 33 -18.800 9.781 -6.935
223 HG13 VAL 33 HG13 VAL 33 -20.184 8.867 -6.333
224 HG21 VAL 33 HG21 VAL 33 -16.636 7.970 -5.554
225 HG22 VAL 33 HG22 VAL 33 -16.553 8.812 -4.006
226 HG23 VAL 33 HG23 VAL 33 -16.564 9.734 -5.512
227 H ASP 34 H ASP 34 -17.222 11.564 -3.025
228 HA ASP 34 HA ASP 34 -17.490 10.353 -0.334
229 HB2 ASP 34 HB2 ASP 34 -14.987 10.496 -0.138
230 HB3 ASP 34 HB3 ASP 34 -15.522 9.377 -1.382
231 HA PRO 35 HA PRO 35 -18.072 15.025 -0.735
232 HB2 PRO 35 HB2 PRO 35 -20.317 15.312 0.811
233 HB3 PRO 35 HB3 PRO 35 -20.388 14.719 -0.863
234 HG2 PRO 35 HG2 PRO 35 -20.380 13.114 1.693
235 HG3 PRO 35 HG3 PRO 35 -21.455 12.968 0.280
236 HD2 PRO 35 HD2 PRO 35 -19.334 11.323 0.593
237 HD3 PRO 35 HD3 PRO 35 -19.841 11.886 -1.016
238 H LEU 36 H LEU 36 -18.042 13.141 2.252
239 HA LEU 36 HA LEU 36 -17.142 15.457 3.848
240 HB2 LEU 36 HB2 LEU 36 -17.946 12.670 4.795
241 HB3 LEU 36 HB3 LEU 36 -17.589 14.051 5.824
242 HG LEU 36 HG LEU 36 -19.964 13.813 3.931
243 HD11 LEU 36 HD11 LEU 36 -21.331 13.682 5.958
244 HD12 LEU 36 HD12 LEU 36 -19.876 13.707 6.959
245 HD13 LEU 36 HD13 LEU 36 -20.181 12.350 5.872
246 HD21 LEU 36 HD21 LEU 36 -19.247 16.057 5.854
247 HD22 LEU 36 HD22 LEU 36 -20.756 15.921 4.947
248 HD23 LEU 36 HD23 LEU 36 -19.236 16.140 4.088
249 H MET 37 H MET 37 -16.366 11.988 4.039
250 HA MET 37 HA MET 37 -13.589 12.273 3.429
251 HB2 MET 37 HB2 MET 37 -13.632 13.277 5.714
252 HB3 MET 37 HB3 MET 37 -14.379 11.816 6.343
253 HG2 MET 37 HG2 MET 37 -12.349 10.536 5.807
254 HG3 MET 37 HG3 MET 37 -11.602 11.989 5.137
255 HE1 MET 37 HE1 MET 37 -12.575 14.245 7.216
256 HE2 MET 37 HE2 MET 37 -10.910 14.130 6.644
257 HE3 MET 37 HE3 MET 37 -11.238 14.228 8.371
258 H LYS 38 H LYS 38 -12.830 10.339 2.839
259 HA LYS 38 HA LYS 38 -13.726 7.798 3.831
260 HB2 LYS 38 HB2 LYS 38 -15.601 8.266 2.269
261 HB3 LYS 38 HB3 LYS 38 -14.467 8.614 0.973
262 HG2 LYS 38 HG2 LYS 38 -15.452 6.403 0.664
263 HG3 LYS 38 HG3 LYS 38 -13.719 6.265 0.971
264 HD2 LYS 38 HD2 LYS 38 -14.192 5.648 3.332
265 HD3 LYS 38 HD3 LYS 38 -15.925 5.783 3.025
266 HE2 LYS 38 HE2 LYS 38 -15.856 3.904 1.501
267 HE3 LYS 38 HE3 LYS 38 -14.094 3.855 1.559
268 HZ1 LYS 38 HZ1 LYS 38 -15.081 2.138 2.932
269 HZ2 LYS 38 HZ2 LYS 38 -15.907 3.303 3.843
270 HZ3 LYS 38 HZ3 LYS 38 -14.218 3.243 3.879
271 H TYR 39 H TYR 39 -11.906 6.621 3.817
272 HA TYR 39 HA TYR 39 -9.492 7.476 2.544
273 HB2 TYR 39 HB2 TYR 39 -10.211 4.933 4.069
274 HB3 TYR 39 HB3 TYR 39 -8.588 5.279 3.480
275 HD1 TYR 39 HD1 TYR 39 -11.240 6.492 5.833
276 HD2 TYR 39 HD2 TYR 39 -7.118 6.745 4.712
277 HE1 TYR 39 HE1 TYR 39 -10.745 7.726 7.902
278 HE2 TYR 39 HE2 TYR 39 -6.634 7.976 6.780
279 HH TYR 39 HH TYR 39 -7.787 9.338 8.432
280 H ILE 40 H ILE 40 -9.671 7.455 0.318
281 HA ILE 40 HA ILE 40 -10.385 4.939 -1.070
282 HB ILE 40 HB ILE 40 -10.404 7.835 -2.022
283 HG12 ILE 40 HG12 ILE 40 -12.691 5.861 -1.565
284 HG13 ILE 40 HG13 ILE 40 -12.327 7.284 -0.597
285 HG21 ILE 40 HG21 ILE 40 -9.680 6.404 -3.878
286 HG22 ILE 40 HG22 ILE 40 -11.288 7.057 -4.177
287 HG23 ILE 40 HG23 ILE 40 -11.099 5.380 -3.661
288 HD11 ILE 40 HD11 ILE 40 -13.294 7.272 -3.459
289 HD12 ILE 40 HD12 ILE 40 -12.881 8.712 -2.524
290 HD13 ILE 40 HD13 ILE 40 -14.225 7.690 -2.020
291 H CYS 41 H CYS 41 -8.943 4.008 -2.494
292 HA CYS 41 HA CYS 41 -6.162 4.670 -2.199
293 HB2 CYS 41 HB2 CYS 41 -6.707 2.326 -2.223
294 HB3 CYS 41 HB3 CYS 41 -7.659 2.490 -3.688
295 H HIS 42 H HIS 42 -5.638 6.436 -3.207
296 HA HIS 42 HA HIS 42 -7.033 7.617 -5.384
297 HB2 HIS 42 HB2 HIS 42 -4.342 8.409 -4.205
298 HB3 HIS 42 HB3 HIS 42 -5.328 9.416 -5.265
299 HD1 HIS 42 HD1 HIS 42 -4.693 8.793 -1.802
300 HD2 HIS 42 HD2 HIS 42 -8.021 9.900 -4.021
301 HE1 HIS 42 HE1 HIS 42 -6.323 9.735 -0.154
302 HE2 HIS 42 HE2 HIS 42 -8.396 10.231 -1.495
303 H ILE 43 H ILE 43 -4.090 5.647 -5.353
304 HA ILE 43 HA ILE 43 -3.265 5.937 -8.004
305 HB ILE 43 HB ILE 43 -3.275 3.354 -6.383
306 HG12 ILE 43 HG12 ILE 43 -1.122 5.512 -6.652
307 HG13 ILE 43 HG13 ILE 43 -2.023 5.095 -5.202
308 HG21 ILE 43 HG21 ILE 43 -1.644 4.036 -8.868
309 HG22 ILE 43 HG22 ILE 43 -2.966 2.871 -8.776
310 HG23 ILE 43 HG23 ILE 43 -1.475 2.571 -7.891
311 HD11 ILE 43 HD11 ILE 43 -0.928 2.898 -5.165
312 HD12 ILE 43 HD12 ILE 43 0.221 4.232 -5.089
313 HD13 ILE 43 HD13 ILE 43 0.002 3.349 -6.598
314 H CYS 44 H CYS 44 -5.964 3.918 -6.703
315 HA CYS 44 HA CYS 44 -6.607 3.075 -9.491
316 HB2 CYS 44 HB2 CYS 44 -7.883 1.222 -8.425
317 HB3 CYS 44 HB3 CYS 44 -6.165 1.181 -8.036
318 H ASN 45 H ASN 45 -7.412 5.428 -7.443
319 HA ASN 45 HA ASN 45 -9.098 6.816 -6.966
320 HB2 ASN 45 HB2 ASN 45 -10.356 7.663 -8.757
321 HB3 ASN 45 HB3 ASN 45 -8.988 6.926 -9.566
322 HD21 ASN 45 HD21 ASN 45 -9.349 5.076 -10.857
323 HD22 ASN 45 HD22 ASN 45 -10.930 4.580 -11.338
324 H ARG 46 H ARG 46 -9.534 3.803 -6.342
325 HA ARG 46 HA ARG 46 -12.394 3.920 -5.640
326 HB2 ARG 46 HB2 ARG 46 -10.965 1.556 -6.953
327 HB3 ARG 46 HB3 ARG 46 -12.628 1.533 -6.369
328 HG2 ARG 46 HG2 ARG 46 -13.320 3.089 -8.088
329 HG3 ARG 46 HG3 ARG 46 -11.650 3.371 -8.581
330 HD2 ARG 46 HD2 ARG 46 -11.486 1.016 -9.329
331 HD3 ARG 46 HD3 ARG 46 -13.174 0.756 -8.867
332 HE ARG 46 HE ARG 46 -12.938 2.963 -10.661
333 HH11 ARG 46 HH11 ARG 46 -12.910 -0.545 -10.662
334 HH12 ARG 46 HH12 ARG 46 -13.450 -0.668 -12.302
335 HH21 ARG 46 HH21 ARG 46 -13.639 2.770 -12.826
336 HH22 ARG 46 HH22 ARG 46 -13.861 1.199 -13.527
337 H GLY 47 H GLY 47 -12.857 2.886 -3.692
338 HA2 GLY 47 HA2 GLY 47 -10.595 1.951 -2.029
339 HA3 GLY 47 HA3 GLY 47 -12.195 2.414 -1.464
340 H ASP 48 H ASP 48 -11.077 0.153 -3.977
341 HA ASP 48 HA ASP 48 -13.017 -1.718 -4.011
342 HB2 ASP 48 HB2 ASP 48 -10.055 -2.429 -4.260
343 HB3 ASP 48 HB3 ASP 48 -11.403 -3.343 -4.935
344 H VAL 49 H VAL 49 -9.985 -2.666 -2.330
345 HA VAL 49 HA VAL 49 -11.612 -4.225 -0.393
346 HB VAL 49 HB VAL 49 -8.770 -4.836 -1.333
347 HG11 VAL 49 HG11 VAL 49 -9.162 -5.610 0.975
348 HG12 VAL 49 HG12 VAL 49 -9.054 -6.989 -0.119
349 HG13 VAL 49 HG13 VAL 49 -10.631 -6.450 0.468
350 HG21 VAL 49 HG21 VAL 49 -10.409 -5.238 -3.144
351 HG22 VAL 49 HG22 VAL 49 -11.372 -6.249 -2.065
352 HG23 VAL 49 HG23 VAL 49 -9.752 -6.763 -2.543
353 H GLU 50 H GLU 50 -11.751 -2.988 1.371
354 HA GLU 50 HA GLU 50 -9.828 -1.087 2.247
355 HB2 GLU 50 HB2 GLU 50 -12.162 -2.307 3.779
356 HB3 GLU 50 HB3 GLU 50 -11.272 -0.857 4.250
357 HG2 GLU 50 HG2 GLU 50 -11.986 0.214 2.104
358 HG3 GLU 50 HG3 GLU 50 -12.980 -1.207 1.771
359 H GLU 51 H GLU 51 -10.252 -4.472 2.861
360 HA GLU 51 HA GLU 51 -8.723 -4.713 5.270
361 HB2 GLU 51 HB2 GLU 51 -9.400 -6.839 3.183
362 HB3 GLU 51 HB3 GLU 51 -8.768 -7.155 4.792
363 HG2 GLU 51 HG2 GLU 51 -11.117 -7.638 4.834
364 HG3 GLU 51 HG3 GLU 51 -10.851 -6.168 5.767
365 H SER 52 H SER 52 -7.907 -4.412 1.936
366 HA SER 52 HA SER 52 -5.072 -5.130 2.410
367 HB2 SER 52 HB2 SER 52 -6.604 -4.902 -0.217
368 HB3 SER 52 HB3 SER 52 -4.916 -5.393 -0.044
369 HG SER 52 HG SER 52 -6.812 -6.808 1.434
370 H MET 53 H MET 53 -6.895 -2.514 2.686
371 HA MET 53 HA MET 53 -5.273 -0.615 1.156
372 HB2 MET 53 HB2 MET 53 -7.703 -0.266 1.190
373 HB3 MET 53 HB3 MET 53 -7.695 -0.183 2.947
374 HG2 MET 53 HG2 MET 53 -6.385 1.883 2.872
375 HG3 MET 53 HG3 MET 53 -6.283 1.777 1.115
376 HE1 MET 53 HE1 MET 53 -9.255 0.780 0.389
377 HE2 MET 53 HE2 MET 53 -8.397 2.042 -0.500
378 HE3 MET 53 HE3 MET 53 -10.032 2.334 0.089
379 H LEU 54 H LEU 54 -3.465 0.070 2.028
380 HA LEU 54 HA LEU 54 -3.006 0.096 4.934
381 HB2 LEU 54 HB2 LEU 54 -1.042 0.268 2.620
382 HB3 LEU 54 HB3 LEU 54 -0.617 0.126 4.322
383 HG LEU 54 HG LEU 54 -2.105 -2.010 2.728
384 HD11 LEU 54 HD11 LEU 54 -0.025 -3.278 2.748
385 HD12 LEU 54 HD12 LEU 54 0.807 -1.930 3.530
386 HD13 LEU 54 HD13 LEU 54 0.163 -1.747 1.896
387 HD21 LEU 54 HD21 LEU 54 -0.926 -2.115 5.533
388 HD22 LEU 54 HD22 LEU 54 -1.640 -3.477 4.664
389 HD23 LEU 54 HD23 LEU 54 -2.644 -2.104 5.117
390 H LEU 55 H LEU 55 -2.000 1.899 5.880
391 HA LEU 55 HA LEU 55 -2.212 4.503 4.478
392 HB2 LEU 55 HB2 LEU 55 -4.008 3.856 6.335
393 HB3 LEU 55 HB3 LEU 55 -2.712 4.174 7.463
394 HG LEU 55 HG LEU 55 -4.185 6.103 7.336
395 HD11 LEU 55 HD11 LEU 55 -2.664 7.923 6.790
396 HD12 LEU 55 HD12 LEU 55 -1.597 6.807 5.934
397 HD13 LEU 55 HD13 LEU 55 -1.830 6.650 7.677
398 HD21 LEU 55 HD21 LEU 55 -4.586 7.369 5.286
399 HD22 LEU 55 HD22 LEU 55 -5.165 5.712 5.144
400 HD23 LEU 55 HD23 LEU 55 -3.656 6.188 4.360
401 H CYS 56 H CYS 56 -0.173 5.228 4.254
402 HA CYS 56 HA CYS 56 2.129 4.174 5.435
403 HB2 CYS 56 HB2 CYS 56 2.244 5.455 3.364
404 HB3 CYS 56 HB3 CYS 56 1.739 6.922 4.197
405 H ASP 57 H ASP 57 2.594 4.165 7.525
406 HA ASP 57 HA ASP 57 1.851 5.795 9.609
407 HB2 ASP 57 HB2 ASP 57 2.982 3.645 9.939
408 HB3 ASP 57 HB3 ASP 57 4.451 4.242 9.185
409 H GLY 58 H GLY 58 4.800 6.068 7.619
410 HA2 GLY 58 HA2 GLY 58 5.368 8.784 8.604
411 HA3 GLY 58 HA3 GLY 58 6.426 7.766 7.638
412 H CYS 59 H CYS 59 3.080 8.786 7.235
413 HA CYS 59 HA CYS 59 3.322 11.018 5.593
414 HB2 CYS 59 HB2 CYS 59 2.906 8.432 4.015
415 HB3 CYS 59 HB3 CYS 59 2.260 9.963 3.436
416 H ASP 60 H ASP 60 0.827 10.648 4.139
417 HA ASP 60 HA ASP 60 -1.061 9.138 5.687
418 HB2 ASP 60 HB2 ASP 60 -1.124 11.145 7.072
419 HB3 ASP 60 HB3 ASP 60 -1.236 12.175 5.649
420 H ASP 61 H ASP 61 -1.761 8.050 3.934
421 HA ASP 61 HA ASP 61 -3.563 9.147 2.075
422 HB2 ASP 61 HB2 ASP 61 -1.294 9.927 1.060
423 HB3 ASP 61 HB3 ASP 61 -0.994 8.240 0.694
424 H SER 62 H SER 62 -4.657 7.447 0.929
425 HA SER 62 HA SER 62 -4.250 4.795 2.116
426 HB2 SER 62 HB2 SER 62 -6.567 5.934 0.502
427 HB3 SER 62 HB3 SER 62 -6.536 4.326 1.235
428 HG SER 62 HG SER 62 -6.625 5.218 3.216
429 H TYR 63 H TYR 63 -3.286 3.251 1.032
430 HA TYR 63 HA TYR 63 -3.232 3.166 -1.933
431 HB2 TYR 63 HB2 TYR 63 -1.092 2.251 0.059
432 HB3 TYR 63 HB3 TYR 63 -1.016 1.988 -1.680
433 HD1 TYR 63 HD1 TYR 63 -1.009 4.663 0.945
434 HD2 TYR 63 HD2 TYR 63 -0.138 3.683 -3.119
435 HE1 TYR 63 HE1 TYR 63 0.110 6.825 0.672
436 HE2 TYR 63 HE2 TYR 63 0.983 5.858 -3.399
437 HH TYR 63 HH TYR 63 1.809 7.848 -0.754
438 H HIS 64 H HIS 64 -3.696 1.105 -2.842
439 HA HIS 64 HA HIS 64 -4.377 -1.092 -0.989
440 HB2 HIS 64 HB2 HIS 64 -4.678 -0.824 -3.999
441 HB3 HIS 64 HB3 HIS 64 -4.886 -2.368 -3.190
442 HD2 HIS 64 HD2 HIS 64 -6.875 -1.768 -0.848
443 HE1 HIS 64 HE1 HIS 64 -9.231 0.185 -3.764
444 HE2 HIS 64 HE2 HIS 64 -9.219 -0.860 -1.450
445 H THR 65 H THR 65 -3.304 -3.034 -1.038
446 HA THR 65 HA THR 65 -0.559 -3.259 -1.578
447 HB THR 65 HB THR 65 -1.038 -5.774 -1.372
448 HG1 THR 65 HG1 THR 65 -3.071 -6.447 -1.345
449 HG21 THR 65 HG21 THR 65 -2.249 -4.015 0.799
450 HG22 THR 65 HG22 THR 65 -0.540 -4.433 0.650
451 HG23 THR 65 HG23 THR 65 -1.730 -5.687 1.001
452 H PHE 66 H PHE 66 -3.437 -4.087 -3.454
453 HA PHE 66 HA PHE 66 -2.293 -5.402 -5.664
454 HB2 PHE 66 HB2 PHE 66 -4.860 -3.746 -5.672
455 HB3 PHE 66 HB3 PHE 66 -4.458 -5.075 -6.751
456 HD1 PHE 66 HD1 PHE 66 -4.137 -7.421 -5.651
457 HD2 PHE 66 HD2 PHE 66 -6.140 -4.152 -3.737
458 HE1 PHE 66 HE1 PHE 66 -5.290 -8.988 -4.152
459 HE2 PHE 66 HE2 PHE 66 -7.274 -5.729 -2.244
460 HZ PHE 66 HZ PHE 66 -6.856 -8.143 -2.448
461 H CYS 67 H CYS 67 -2.901 -1.987 -4.984
462 HA CYS 67 HA CYS 67 -2.634 -1.026 -7.645
463 HB2 CYS 67 HB2 CYS 67 -2.599 0.433 -4.985
464 HB3 CYS 67 HB3 CYS 67 -2.709 1.227 -6.559
465 H LEU 68 H LEU 68 -0.316 -1.784 -5.215
466 HA LEU 68 HA LEU 68 1.863 -0.276 -6.456
467 HB2 LEU 68 HB2 LEU 68 1.855 -2.237 -4.126
468 HB3 LEU 68 HB3 LEU 68 3.227 -1.256 -4.622
469 HG LEU 68 HG LEU 68 0.603 -0.189 -3.477
470 HD11 LEU 68 HD11 LEU 68 3.339 -0.342 -2.174
471 HD12 LEU 68 HD12 LEU 68 1.941 -1.346 -1.782
472 HD13 LEU 68 HD13 LEU 68 1.886 0.389 -1.483
473 HD21 LEU 68 HD21 LEU 68 1.562 1.413 -5.057
474 HD22 LEU 68 HD22 LEU 68 3.123 1.337 -4.232
475 HD23 LEU 68 HD23 LEU 68 1.711 2.007 -3.407
476 H LEU 69 H LEU 69 3.522 -1.233 -7.612
477 HA LEU 69 HA LEU 69 3.136 -4.023 -8.538
478 HB2 LEU 69 HB2 LEU 69 4.508 -1.678 -9.914
479 HB3 LEU 69 HB3 LEU 69 4.660 -3.338 -10.463
480 HG LEU 69 HG LEU 69 2.105 -3.367 -10.719
481 HD11 LEU 69 HD11 LEU 69 0.965 -1.210 -11.020
482 HD12 LEU 69 HD12 LEU 69 2.410 -0.369 -10.449
483 HD13 LEU 69 HD13 LEU 69 1.522 -1.442 -9.365
484 HD21 LEU 69 HD21 LEU 69 2.165 -2.272 -12.920
485 HD22 LEU 69 HD22 LEU 69 3.587 -3.275 -12.642
486 HD23 LEU 69 HD23 LEU 69 3.709 -1.519 -12.505
487 HA PRO 70 HA PRO 70 3.737 -5.902 -8.477
488 HB2 PRO 70 HB2 PRO 70 4.615 -8.090 -7.119
489 HB3 PRO 70 HB3 PRO 70 5.455 -7.528 -8.583
490 HG2 PRO 70 HG2 PRO 70 6.208 -7.117 -5.704
491 HG3 PRO 70 HG3 PRO 70 7.244 -7.508 -7.096
492 HD2 PRO 70 HD2 PRO 70 6.928 -4.943 -6.075
493 HD3 PRO 70 HD3 PRO 70 7.437 -5.298 -7.737
494 HA PRO 71 HA PRO 71 0.825 -5.591 -5.010
495 HB2 PRO 71 HB2 PRO 71 0.234 -8.520 -5.504
496 HB3 PRO 71 HB3 PRO 71 -0.892 -7.150 -5.354
497 HG2 PRO 71 HG2 PRO 71 -0.369 -8.139 -7.754
498 HG3 PRO 71 HG3 PRO 71 -0.475 -6.378 -7.520
499 HD2 PRO 71 HD2 PRO 71 1.988 -8.086 -7.830
500 HD3 PRO 71 HD3 PRO 71 1.649 -6.468 -8.488
501 H LEU 72 H LEU 72 0.953 -5.858 -2.819
502 HA LEU 72 HA LEU 72 3.381 -6.949 -1.787
503 HB2 LEU 72 HB2 LEU 72 0.986 -5.880 -0.240
504 HB3 LEU 72 HB3 LEU 72 2.604 -6.132 0.399
505 HG LEU 72 HG LEU 72 1.799 -4.084 -1.706
506 HD11 LEU 72 HD11 LEU 72 1.074 -3.440 0.512
507 HD12 LEU 72 HD12 LEU 72 2.383 -2.398 -0.041
508 HD13 LEU 72 HD13 LEU 72 2.709 -3.665 1.146
509 HD21 LEU 72 HD21 LEU 72 4.111 -3.244 -1.602
510 HD22 LEU 72 HD22 LEU 72 4.046 -4.894 -2.207
511 HD23 LEU 72 HD23 LEU 72 4.560 -4.590 -0.546
512 H THR 73 H THR 73 3.581 -9.079 -1.845
513 HA THR 73 HA THR 73 1.689 -11.102 -1.686
514 HB THR 73 HB THR 73 4.649 -11.260 -0.930
515 HG1 THR 73 HG1 THR 73 3.302 -11.548 -3.429
516 HG21 THR 73 HG21 THR 73 2.783 -13.464 -1.909
517 HG22 THR 73 HG22 THR 73 3.433 -13.326 -0.277
518 HG23 THR 73 HG23 THR 73 4.522 -13.629 -1.627
519 H SER 74 H SER 74 3.523 -9.572 0.902
520 HA SER 74 HA SER 74 1.938 -10.992 2.969
521 HB2 SER 74 HB2 SER 74 4.510 -9.386 3.337
522 HB3 SER 74 HB3 SER 74 3.684 -10.369 4.551
523 HG SER 74 HG SER 74 4.233 -12.201 3.421
524 H ILE 75 H ILE 75 0.460 -9.773 4.079
525 HA ILE 75 HA ILE 75 0.252 -6.910 3.751
526 HB ILE 75 HB ILE 75 -1.143 -8.661 5.837
527 HG12 ILE 75 HG12 ILE 75 -1.613 -9.401 3.480
528 HG13 ILE 75 HG13 ILE 75 -3.049 -8.830 4.322
529 HG21 ILE 75 HG21 ILE 75 -1.812 -5.848 4.847
530 HG22 ILE 75 HG22 ILE 75 -1.193 -6.275 6.442
531 HG23 ILE 75 HG23 ILE 75 -2.806 -6.798 5.960
532 HD11 ILE 75 HD11 ILE 75 -1.466 -7.306 2.259
533 HD12 ILE 75 HD12 ILE 75 -2.892 -6.702 3.109
534 HD13 ILE 75 HD13 ILE 75 -3.028 -8.088 2.029
535 HA PRO 76 HA PRO 76 3.556 -5.924 6.785
536 HB2 PRO 76 HB2 PRO 76 1.823 -3.437 6.880
537 HB3 PRO 76 HB3 PRO 76 3.596 -3.571 6.808
538 HG2 PRO 76 HG2 PRO 76 2.284 -2.973 4.611
539 HG3 PRO 76 HG3 PRO 76 3.594 -4.177 4.536
540 HD2 PRO 76 HD2 PRO 76 0.618 -4.619 4.522
541 HD3 PRO 76 HD3 PRO 76 1.887 -5.473 3.613
542 H LYS 77 H LYS 77 3.332 -7.067 8.588
543 HA LYS 77 HA LYS 77 1.158 -7.277 10.343
544 HB2 LYS 77 HB2 LYS 77 3.050 -8.897 10.198
545 HB3 LYS 77 HB3 LYS 77 4.134 -7.706 10.899
546 HG2 LYS 77 HG2 LYS 77 3.466 -9.374 12.563
547 HG3 LYS 77 HG3 LYS 77 2.881 -7.769 13.010
548 HD2 LYS 77 HD2 LYS 77 0.625 -8.354 12.151
549 HD3 LYS 77 HD3 LYS 77 1.206 -9.964 11.712
550 HE2 LYS 77 HE2 LYS 77 1.581 -10.514 14.045
551 HE3 LYS 77 HE3 LYS 77 1.216 -8.858 14.540
552 HZ1 LYS 77 HZ1 LYS 77 -0.640 -10.361 14.905
553 HZ2 LYS 77 HZ2 LYS 77 -0.704 -10.721 13.254
554 HZ3 LYS 77 HZ3 LYS 77 -1.039 -9.150 13.796
555 H GLY 78 H GLY 78 4.004 -5.171 10.434
556 HA2 GLY 78 HA2 GLY 78 2.871 -3.484 12.576
557 HA3 GLY 78 HA3 GLY 78 4.488 -3.370 11.887
558 H GLU 79 H GLU 79 3.222 -1.045 12.090
559 HA GLU 79 HA GLU 79 1.550 -0.139 10.045
560 HB2 GLU 79 HB2 GLU 79 3.729 1.293 11.631
561 HB3 GLU 79 HB3 GLU 79 2.640 2.137 10.538
562 HG2 GLU 79 HG2 GLU 79 1.730 0.533 12.955
563 HG3 GLU 79 HG3 GLU 79 1.988 2.279 12.943
564 H TRP 80 H TRP 80 1.895 0.621 7.957
565 HA TRP 80 HA TRP 80 4.275 -0.451 6.637
566 HB2 TRP 80 HB2 TRP 80 2.153 -1.211 5.747
567 HB3 TRP 80 HB3 TRP 80 1.524 0.429 5.680
568 HD1 TRP 80 HD1 TRP 80 4.197 -1.763 3.858
569 HE1 TRP 80 HE1 TRP 80 4.396 -0.888 1.442
570 HE3 TRP 80 HE3 TRP 80 1.124 2.285 4.231
571 HZ2 TRP 80 HZ2 TRP 80 3.387 1.244 -0.096
572 HZ3 TRP 80 HZ3 TRP 80 0.787 3.708 2.237
573 HH2 TRP 80 HH2 TRP 80 1.900 3.195 0.115
574 H LEU 81 H LEU 81 5.768 0.847 5.694
575 HA LEU 81 HA LEU 81 5.360 3.770 5.621
576 HB2 LEU 81 HB2 LEU 81 7.908 2.141 5.256
577 HB3 LEU 81 HB3 LEU 81 7.813 3.897 5.243
578 HG LEU 81 HG LEU 81 7.251 2.108 7.644
579 HD11 LEU 81 HD11 LEU 81 9.617 3.916 7.089
580 HD12 LEU 81 HD12 LEU 81 9.620 2.151 7.072
581 HD13 LEU 81 HD13 LEU 81 9.321 3.013 8.579
582 HD21 LEU 81 HD21 LEU 81 7.290 5.145 7.477
583 HD22 LEU 81 HD22 LEU 81 7.131 4.191 8.956
584 HD23 LEU 81 HD23 LEU 81 5.866 4.128 7.733
585 H CYS 82 H CYS 82 5.040 4.738 3.683
586 HA CYS 82 HA CYS 82 4.776 3.405 1.209
587 HB2 CYS 82 HB2 CYS 82 4.783 5.748 0.239
588 HB3 CYS 82 HB3 CYS 82 3.651 5.539 1.580
589 HA PRO 83 HA PRO 83 8.994 2.624 -0.078
590 HB2 PRO 83 HB2 PRO 83 8.749 3.195 -2.863
591 HB3 PRO 83 HB3 PRO 83 8.426 1.639 -2.076
592 HG2 PRO 83 HG2 PRO 83 6.496 3.792 -2.852
593 HG3 PRO 83 HG3 PRO 83 6.307 2.025 -2.925
594 HD2 PRO 83 HD2 PRO 83 5.111 3.410 -0.972
595 HD3 PRO 83 HD3 PRO 83 5.859 1.836 -0.620
596 H ARG 84 H ARG 84 7.572 5.665 -1.012
597 HA ARG 84 HA ARG 84 9.783 7.209 -1.742
598 HB2 ARG 84 HB2 ARG 84 7.373 7.882 -1.955
599 HB3 ARG 84 HB3 ARG 84 7.276 8.076 -0.217
600 HG2 ARG 84 HG2 ARG 84 9.255 9.735 -1.784
601 HG3 ARG 84 HG3 ARG 84 7.551 10.169 -1.818
602 HD2 ARG 84 HD2 ARG 84 7.629 10.280 0.719
603 HD3 ARG 84 HD3 ARG 84 9.382 10.078 0.607
604 HE ARG 84 HE ARG 84 8.412 12.242 -1.017
605 HH11 ARG 84 HH11 ARG 84 9.285 11.436 2.297
606 HH12 ARG 84 HH12 ARG 84 9.634 13.075 2.713
607 HH21 ARG 84 HH21 ARG 84 8.890 14.379 -0.421
608 HH22 ARG 84 HH22 ARG 84 9.414 14.729 1.194
609 H CYS 85 H CYS 85 8.394 6.559 1.443
610 HA CYS 85 HA CYS 85 10.292 8.183 2.876
611 HB2 CYS 85 HB2 CYS 85 8.107 6.314 3.866
612 HB3 CYS 85 HB3 CYS 85 8.977 7.502 4.864
613 H VAL 86 H VAL 86 9.814 4.715 2.240
614 HA VAL 86 HA VAL 86 11.502 3.528 4.077
615 HB VAL 86 HB VAL 86 11.005 2.734 1.172
616 HG11 VAL 86 HG11 VAL 86 11.717 0.439 1.798
617 HG12 VAL 86 HG12 VAL 86 12.198 1.029 3.390
618 HG13 VAL 86 HG13 VAL 86 13.040 1.597 1.949
619 HG21 VAL 86 HG21 VAL 86 9.345 1.147 2.134
620 HG22 VAL 86 HG22 VAL 86 8.950 2.819 2.533
621 HG23 VAL 86 HG23 VAL 86 9.687 1.774 3.749
622 H VAL 87 H VAL 87 12.392 5.132 1.023
623 HA VAL 87 HA VAL 87 15.244 4.676 1.449
624 HB VAL 87 HB VAL 87 13.974 6.502 -0.611
625 HG11 VAL 87 HG11 VAL 87 16.084 6.190 -1.895
626 HG12 VAL 87 HG12 VAL 87 16.733 5.217 -0.573
627 HG13 VAL 87 HG13 VAL 87 16.378 6.927 -0.319
628 HG21 VAL 87 HG21 VAL 87 13.039 4.238 -0.896
629 HG22 VAL 87 HG22 VAL 87 14.665 3.553 -0.938
630 HG23 VAL 87 HG23 VAL 87 14.123 4.619 -2.236
631 H GLU 88 H GLU 88 15.184 5.621 3.561
632 HA GLU 88 HA GLU 88 15.339 8.587 3.656
633 HB2 GLU 88 HB2 GLU 88 14.756 8.422 6.062
634 HB3 GLU 88 HB3 GLU 88 13.486 7.755 5.042
635 HG2 GLU 88 HG2 GLU 88 13.895 5.554 5.705
636 HG3 GLU 88 HG3 GLU 88 15.560 5.891 6.167
637 H GLU 89 H GLU 89 16.804 9.400 5.336
638 HA GLU 89 HA GLU 89 18.872 7.650 6.417
639 HB2 GLU 89 HB2 GLU 89 19.723 8.539 4.176
640 HB3 GLU 89 HB3 GLU 89 19.597 10.165 4.831
641 HG2 GLU 89 HG2 GLU 89 21.921 9.285 4.875
642 HG3 GLU 89 HG3 GLU 89 21.318 9.702 6.479
643 H VAL 90 H VAL 90 20.190 8.968 8.075
644 HA VAL 90 HA VAL 90 18.669 10.065 10.080
645 HB VAL 90 HB VAL 90 21.564 10.872 9.505
646 HG11 VAL 90 HG11 VAL 90 21.752 11.273 11.951
647 HG12 VAL 90 HG12 VAL 90 20.035 10.911 12.143
648 HG13 VAL 90 HG13 VAL 90 20.543 12.325 11.217
649 HG21 VAL 90 HG21 VAL 90 21.324 8.413 9.561
650 HG22 VAL 90 HG22 VAL 90 20.540 8.514 11.140
651 HG23 VAL 90 HG23 VAL 90 22.231 8.987 10.963
652 H SER 91 H SER 91 20.403 11.878 7.562
653 HA SER 91 HA SER 91 19.351 14.449 8.314
654 HB2 SER 91 HB2 SER 91 20.836 13.603 5.785
655 HB3 SER 91 HB3 SER 91 20.567 15.261 6.328
656 HG SER 91 HG SER 91 21.710 13.827 8.295
657 H LYS 92 H LYS 92 17.075 14.242 8.197
658 HA LYS 92 HA LYS 92 15.743 13.841 5.646
659 HB2 LYS 92 HB2 LYS 92 14.801 14.781 8.382
660 HB3 LYS 92 HB3 LYS 92 13.770 15.007 6.982
661 HG2 LYS 92 HG2 LYS 92 13.064 13.016 8.105
662 HG3 LYS 92 HG3 LYS 92 13.818 12.550 6.580
663 HD2 LYS 92 HD2 LYS 92 15.908 11.972 7.822
664 HD3 LYS 92 HD3 LYS 92 15.102 12.385 9.337
665 HE2 LYS 92 HE2 LYS 92 13.424 10.599 8.889
666 HE3 LYS 92 HE3 LYS 92 14.301 10.176 7.418
667 HZ1 LYS 92 HZ1 LYS 92 15.335 10.006 10.187
668 HZ2 LYS 92 HZ2 LYS 92 16.227 9.664 8.794
669 HZ3 LYS 92 HZ3 LYS 92 14.889 8.711 9.194
670 HA PRO 93 HA PRO 93 16.091 18.193 4.281
671 HB2 PRO 93 HB2 PRO 93 13.804 18.537 2.808
672 HB3 PRO 93 HB3 PRO 93 15.129 17.490 2.249
673 HG2 PRO 93 HG2 PRO 93 12.566 16.712 3.633
674 HG3 PRO 93 HG3 PRO 93 13.333 15.981 2.201
675 HD2 PRO 93 HD2 PRO 93 13.602 14.908 4.691
676 HD3 PRO 93 HD3 PRO 93 14.890 14.796 3.471
677 H GLN 94 H GLN 94 15.214 17.940 6.996
678 HA GLN 94 HA GLN 94 13.394 20.256 7.282
679 HB2 GLN 94 HB2 GLN 94 13.777 18.023 9.336
680 HB3 GLN 94 HB3 GLN 94 12.609 19.341 9.406
681 HG2 GLN 94 HG2 GLN 94 11.426 18.373 7.455
682 HG3 GLN 94 HG3 GLN 94 12.592 17.048 7.416
683 HE21 GLN 94 HE21 GLN 94 9.819 18.371 9.028
684 HE22 GLN 94 HE22 GLN 94 9.518 17.024 10.067
Start of MODEL 2
1 H1 SER 1 H1 SER 1 -4.360 1.591 20.086
2 H2 SER 1 H2 SER 1 -3.278 1.355 21.359
3 H3 SER 1 H3 SER 1 -3.199 0.366 19.995
4 HA SER 1 HA SER 1 -2.583 2.210 18.622
5 HB2 SER 1 HB2 SER 1 -2.542 3.791 21.227
6 HB3 SER 1 HB3 SER 1 -2.128 4.409 19.622
7 HG SER 1 HG SER 1 -4.174 4.889 19.514
8 H HIS 2 H HIS 2 -1.358 2.098 22.004
9 HA HIS 2 HA HIS 2 0.489 1.239 22.967
10 HB2 HIS 2 HB2 HIS 2 0.425 -0.617 20.555
11 HB3 HIS 2 HB3 HIS 2 1.353 -0.914 22.024
12 HD2 HIS 2 HD2 HIS 2 -0.039 -2.050 24.092
13 HE1 HIS 2 HE1 HIS 2 -3.828 -1.922 22.230
14 HE2 HIS 2 HE2 HIS 2 -2.563 -2.603 24.309
15 H MET 3 H MET 3 0.906 3.501 21.225
16 HA MET 3 HA MET 3 3.708 3.140 20.350
17 HB2 MET 3 HB2 MET 3 1.984 4.140 18.729
18 HB3 MET 3 HB3 MET 3 1.869 5.525 19.810
19 HG2 MET 3 HG2 MET 3 4.343 5.890 19.475
20 HG3 MET 3 HG3 MET 3 4.310 4.618 18.250
21 HE1 MET 3 HE1 MET 3 5.468 6.552 16.650
22 HE2 MET 3 HE2 MET 3 5.297 7.731 17.955
23 HE3 MET 3 HE3 MET 3 4.687 8.102 16.345
24 H SER 4 H SER 4 2.857 3.225 23.155
25 HA SER 4 HA SER 4 3.698 5.677 24.347
26 HB2 SER 4 HB2 SER 4 4.007 4.237 26.408
27 HB3 SER 4 HB3 SER 4 2.416 4.071 25.666
28 HG SER 4 HG SER 4 2.943 2.025 25.863
29 H GLY 5 H GLY 5 5.345 2.534 23.887
30 HA2 GLY 5 HA2 GLY 5 7.417 2.085 22.989
31 HA3 GLY 5 HA3 GLY 5 7.787 3.802 22.953
32 H GLY 6 H GLY 6 7.608 4.621 25.508
33 HA2 GLY 6 HA2 GLY 6 8.781 4.701 27.491
34 HA3 GLY 6 HA3 GLY 6 9.235 3.011 27.283
35 H SER 7 H SER 7 10.819 2.565 25.573
36 HA SER 7 HA SER 7 12.996 4.481 25.337
37 HB2 SER 7 HB2 SER 7 13.486 2.079 25.745
38 HB3 SER 7 HB3 SER 7 12.625 1.640 24.268
39 HG SER 7 HG SER 7 15.129 2.093 24.443
40 HA PRO 8 HA PRO 8 11.426 5.846 21.239
41 HB2 PRO 8 HB2 PRO 8 13.782 6.986 20.274
42 HB3 PRO 8 HB3 PRO 8 12.658 7.809 21.379
43 HG2 PRO 8 HG2 PRO 8 15.225 6.388 22.020
44 HG3 PRO 8 HG3 PRO 8 14.584 7.906 22.689
45 HD2 PRO 8 HD2 PRO 8 14.419 5.555 24.049
46 HD3 PRO 8 HD3 PRO 8 13.168 6.808 24.190
47 H LEU 9 H LEU 9 11.116 3.643 20.620
48 HA LEU 9 HA LEU 9 13.300 2.055 19.560
49 HB2 LEU 9 HB2 LEU 9 10.312 1.469 19.603
50 HB3 LEU 9 HB3 LEU 9 11.573 0.326 19.160
51 HG LEU 9 HG LEU 9 11.143 1.527 21.927
52 HD11 LEU 9 HD11 LEU 9 10.668 -1.298 20.926
53 HD12 LEU 9 HD12 LEU 9 9.433 -0.111 21.355
54 HD13 LEU 9 HD13 LEU 9 10.506 -0.743 22.599
55 HD21 LEU 9 HD21 LEU 9 13.524 1.162 21.553
56 HD22 LEU 9 HD22 LEU 9 13.224 -0.491 21.012
57 HD23 LEU 9 HD23 LEU 9 12.903 -0.032 22.687
58 H ALA 10 H ALA 10 13.993 3.308 17.816
59 HA ALA 10 HA ALA 10 12.262 3.687 15.478
60 HB1 ALA 10 HB1 ALA 10 13.797 5.499 16.153
61 HB2 ALA 10 HB2 ALA 10 14.213 4.883 14.553
62 HB3 ALA 10 HB3 ALA 10 15.176 4.415 15.957
63 H THR 11 H THR 11 13.060 0.975 16.503
64 HA THR 11 HA THR 11 14.964 -0.218 14.757
65 HB THR 11 HB THR 11 13.922 -2.400 15.608
66 HG1 THR 11 HG1 THR 11 11.852 -1.855 16.102
67 HG21 THR 11 HG21 THR 11 14.742 -0.385 17.731
68 HG22 THR 11 HG22 THR 11 15.838 -1.393 16.781
69 HG23 THR 11 HG23 THR 11 14.725 -2.139 17.931
70 H GLY 12 H GLY 12 14.411 0.305 12.628
71 HA2 GLY 12 HA2 GLY 12 12.971 -1.477 11.110
72 HA3 GLY 12 HA3 GLY 12 11.813 -0.206 11.492
73 H THR 13 H THR 13 14.323 -1.148 9.427
74 HA THR 13 HA THR 13 14.093 1.335 7.915
75 HB THR 13 HB THR 13 16.058 1.910 9.157
76 HG1 THR 13 HG1 THR 13 16.854 2.542 7.320
77 HG21 THR 13 HG21 THR 13 18.072 0.499 9.353
78 HG22 THR 13 HG22 THR 13 17.258 -0.798 8.475
79 HG23 THR 13 HG23 THR 13 16.667 -0.303 10.062
80 H THR 14 H THR 14 12.867 0.088 6.504
81 HA THR 14 HA THR 14 14.051 -2.107 5.010
82 HB THR 14 HB THR 14 11.939 -1.822 3.554
83 HG1 THR 14 HG1 THR 14 11.398 0.303 4.028
84 HG21 THR 14 HG21 THR 14 11.499 -2.320 6.523
85 HG22 THR 14 HG22 THR 14 12.038 -3.519 5.344
86 HG23 THR 14 HG23 THR 14 10.421 -2.824 5.218
87 H ALA 15 H ALA 15 15.974 -0.841 4.461
88 HA ALA 15 HA ALA 15 15.907 1.412 2.720
89 HB1 ALA 15 HB1 ALA 15 18.326 0.980 2.416
90 HB2 ALA 15 HB2 ALA 15 18.154 -0.581 3.225
91 HB3 ALA 15 HB3 ALA 15 17.867 0.912 4.120
92 H ASN 16 H ASN 16 14.667 1.078 0.934
93 HA ASN 16 HA ASN 16 14.767 -1.284 -0.718
94 HB2 ASN 16 HB2 ASN 16 13.426 1.422 -1.151
95 HB3 ASN 16 HB3 ASN 16 13.231 0.045 -2.228
96 HD21 ASN 16 HD21 ASN 16 13.136 -1.890 0.061
97 HD22 ASN 16 HD22 ASN 16 11.569 -1.671 0.744
98 H THR 17 H THR 17 14.937 -0.792 -3.217
99 HA THR 17 HA THR 17 17.671 -0.233 -3.731
100 HB THR 17 HB THR 17 17.027 -0.597 -6.150
101 HG1 THR 17 HG1 THR 17 14.836 0.214 -5.941
102 HG21 THR 17 HG21 THR 17 16.417 -2.980 -5.888
103 HG22 THR 17 HG22 THR 17 15.986 -2.692 -4.201
104 HG23 THR 17 HG23 THR 17 17.664 -2.519 -4.724
105 H ARG 18 H ARG 18 18.160 1.847 -3.165
106 HA ARG 18 HA ARG 18 16.765 4.171 -3.963
107 HB2 ARG 18 HB2 ARG 18 18.913 5.387 -3.293
108 HB3 ARG 18 HB3 ARG 18 18.148 4.405 -2.062
109 HG2 ARG 18 HG2 ARG 18 20.486 4.073 -1.826
110 HG3 ARG 18 HG3 ARG 18 19.844 2.594 -2.538
111 HD2 ARG 18 HD2 ARG 18 21.993 3.263 -3.563
112 HD3 ARG 18 HD3 ARG 18 20.678 3.278 -4.750
113 HE ARG 18 HE ARG 18 21.236 5.825 -3.452
114 HH11 ARG 18 HH11 ARG 18 21.929 3.827 -6.266
115 HH12 ARG 18 HH12 ARG 18 22.466 5.165 -7.220
116 HH21 ARG 18 HH21 ARG 18 21.942 7.546 -4.717
117 HH22 ARG 18 HH22 ARG 18 22.474 7.273 -6.344
118 H GLY 19 H GLY 19 17.875 5.951 -5.305
119 HA2 GLY 19 HA2 GLY 19 18.449 6.681 -7.417
120 HA3 GLY 19 HA3 GLY 19 19.189 5.115 -7.737
121 H ALA 20 H ALA 20 15.946 5.161 -6.574
122 HA ALA 20 HA ALA 20 14.798 4.104 -8.981
123 HB1 ALA 20 HB1 ALA 20 12.676 4.133 -7.698
124 HB2 ALA 20 HB2 ALA 20 13.458 5.065 -6.416
125 HB3 ALA 20 HB3 ALA 20 13.982 3.412 -6.753
126 H SER 21 H SER 21 13.471 5.176 -10.450
127 HA SER 21 HA SER 21 14.291 7.716 -11.186
128 HB2 SER 21 HB2 SER 21 11.804 6.214 -12.084
129 HB3 SER 21 HB3 SER 21 12.504 7.607 -12.915
130 HG SER 21 HG SER 21 13.247 5.009 -13.012
131 H GLN 22 H GLN 22 13.965 9.525 -10.127
132 HA GLN 22 HA GLN 22 11.324 10.317 -9.068
133 HB2 GLN 22 HB2 GLN 22 14.123 11.459 -8.613
134 HB3 GLN 22 HB3 GLN 22 12.653 12.181 -7.964
135 HG2 GLN 22 HG2 GLN 22 13.682 9.398 -7.327
136 HG3 GLN 22 HG3 GLN 22 13.848 10.815 -6.288
137 HE21 GLN 22 HE21 GLN 22 12.454 8.192 -5.916
138 HE22 GLN 22 HE22 GLN 22 10.854 8.614 -5.417
139 H LYS 23 H LYS 23 12.035 10.152 -11.909
140 HA LYS 23 HA LYS 23 12.328 12.780 -13.005
141 HB2 LYS 23 HB2 LYS 23 11.408 10.141 -14.220
142 HB3 LYS 23 HB3 LYS 23 11.596 11.621 -15.158
143 HG2 LYS 23 HG2 LYS 23 13.847 10.266 -13.622
144 HG3 LYS 23 HG3 LYS 23 13.523 10.038 -15.349
145 HD2 LYS 23 HD2 LYS 23 13.890 12.459 -15.737
146 HD3 LYS 23 HD3 LYS 23 14.194 12.692 -14.014
147 HE2 LYS 23 HE2 LYS 23 15.876 10.968 -15.870
148 HE3 LYS 23 HE3 LYS 23 16.287 12.598 -15.330
149 HZ1 LYS 23 HZ1 LYS 23 17.432 11.055 -13.966
150 HZ2 LYS 23 HZ2 LYS 23 16.031 10.170 -13.648
151 HZ3 LYS 23 HZ3 LYS 23 16.203 11.731 -13.021
152 H LYS 24 H LYS 24 10.792 13.968 -11.911
153 HA LYS 24 HA LYS 24 8.167 14.034 -13.183
154 HB2 LYS 24 HB2 LYS 24 7.016 14.383 -10.952
155 HB3 LYS 24 HB3 LYS 24 7.599 12.748 -11.236
156 HG2 LYS 24 HG2 LYS 24 9.548 13.173 -9.777
157 HG3 LYS 24 HG3 LYS 24 8.970 14.821 -9.490
158 HD2 LYS 24 HD2 LYS 24 6.925 13.943 -8.431
159 HD3 LYS 24 HD3 LYS 24 7.436 12.286 -8.769
160 HE2 LYS 24 HE2 LYS 24 9.334 12.537 -7.251
161 HE3 LYS 24 HE3 LYS 24 8.917 14.230 -6.971
162 HZ1 LYS 24 HZ1 LYS 24 8.147 12.764 -5.191
163 HZ2 LYS 24 HZ2 LYS 24 7.179 11.921 -6.290
164 HZ3 LYS 24 HZ3 LYS 24 6.865 13.547 -5.960
165 H GLY 25 H GLY 25 10.538 15.515 -13.490
166 HA2 GLY 25 HA2 GLY 25 10.160 18.205 -12.517
167 HA3 GLY 25 HA3 GLY 25 11.150 17.692 -13.886
168 H GLY 26 H GLY 26 7.772 18.058 -12.900
169 HA2 GLY 26 HA2 GLY 26 6.357 19.373 -14.601
170 HA3 GLY 26 HA3 GLY 26 6.832 18.068 -15.692
171 H GLU 27 H GLU 27 4.161 18.751 -14.788
172 HA GLU 27 HA GLU 27 2.260 17.982 -13.835
173 HB2 GLU 27 HB2 GLU 27 3.622 15.324 -14.391
174 HB3 GLU 27 HB3 GLU 27 1.958 15.434 -13.843
175 HG2 GLU 27 HG2 GLU 27 2.002 15.081 -16.240
176 HG3 GLU 27 HG3 GLU 27 1.377 16.693 -15.897
177 HA PRO 28 HA PRO 28 4.233 17.729 -9.524
178 HB2 PRO 28 HB2 PRO 28 2.199 19.942 -9.215
179 HB3 PRO 28 HB3 PRO 28 3.852 19.832 -8.570
180 HG2 PRO 28 HG2 PRO 28 3.374 21.429 -10.621
181 HG3 PRO 28 HG3 PRO 28 4.842 20.418 -10.612
182 HD2 PRO 28 HD2 PRO 28 2.250 19.961 -12.097
183 HD3 PRO 28 HD3 PRO 28 3.926 19.767 -12.673
184 HA PRO 29 HA PRO 29 1.170 14.597 -8.586
185 HB2 PRO 29 HB2 PRO 29 1.831 15.390 -5.738
186 HB3 PRO 29 HB3 PRO 29 1.671 13.764 -6.444
187 HG2 PRO 29 HG2 PRO 29 4.086 14.772 -6.063
188 HG3 PRO 29 HG3 PRO 29 3.719 13.891 -7.565
189 HD2 PRO 29 HD2 PRO 29 4.033 16.849 -7.152
190 HD3 PRO 29 HD3 PRO 29 4.442 15.854 -8.568
191 H ALA 30 H ALA 30 0.673 16.775 -5.837
192 HA ALA 30 HA ALA 30 -1.461 18.288 -6.870
193 HB1 ALA 30 HB1 ALA 30 -2.766 16.189 -6.761
194 HB2 ALA 30 HB2 ALA 30 -3.399 17.371 -5.617
195 HB3 ALA 30 HB3 ALA 30 -2.399 16.027 -5.045
196 H LEU 31 H LEU 31 -1.296 20.128 -5.716
197 HA LEU 31 HA LEU 31 -0.421 20.247 -2.954
198 HB2 LEU 31 HB2 LEU 31 -1.579 22.355 -4.827
199 HB3 LEU 31 HB3 LEU 31 -1.196 22.689 -3.147
200 HG LEU 31 HG LEU 31 1.219 22.092 -3.646
201 HD11 LEU 31 HD11 LEU 31 0.941 20.735 -5.648
202 HD12 LEU 31 HD12 LEU 31 2.013 22.098 -5.966
203 HD13 LEU 31 HD13 LEU 31 0.344 22.136 -6.543
204 HD21 LEU 31 HD21 LEU 31 0.504 24.412 -3.479
205 HD22 LEU 31 HD22 LEU 31 0.053 24.428 -5.187
206 HD23 LEU 31 HD23 LEU 31 1.745 24.241 -4.717
207 H ILE 32 H ILE 32 -1.725 20.715 -1.183
208 HA ILE 32 HA ILE 32 -3.433 20.423 0.229
209 HB ILE 32 HB ILE 32 -5.248 21.330 -2.061
210 HG12 ILE 32 HG12 ILE 32 -3.897 22.978 0.133
211 HG13 ILE 32 HG13 ILE 32 -3.484 23.002 -1.578
212 HG21 ILE 32 HG21 ILE 32 -5.795 21.335 0.935
213 HG22 ILE 32 HG22 ILE 32 -6.529 20.247 -0.246
214 HG23 ILE 32 HG23 ILE 32 -6.869 21.978 -0.309
215 HD11 ILE 32 HD11 ILE 32 -6.081 23.957 -0.361
216 HD12 ILE 32 HD12 ILE 32 -5.691 23.951 -2.085
217 HD13 ILE 32 HD13 ILE 32 -4.765 24.957 -0.972
218 H VAL 33 H VAL 33 -2.760 18.198 0.042
219 HA VAL 33 HA VAL 33 -4.291 16.204 -1.322
220 HB VAL 33 HB VAL 33 -1.944 15.942 -0.362
221 HG11 VAL 33 HG11 VAL 33 -3.358 15.674 2.311
222 HG12 VAL 33 HG12 VAL 33 -2.290 16.991 1.825
223 HG13 VAL 33 HG13 VAL 33 -1.644 15.358 2.012
224 HG21 VAL 33 HG21 VAL 33 -2.183 13.570 0.310
225 HG22 VAL 33 HG22 VAL 33 -3.165 13.954 -1.106
226 HG23 VAL 33 HG23 VAL 33 -3.927 13.797 0.478
227 H ASP 34 H ASP 34 -5.587 14.489 0.119
228 HA ASP 34 HA ASP 34 -7.848 15.770 1.189
229 HB2 ASP 34 HB2 ASP 34 -7.807 13.443 0.210
230 HB3 ASP 34 HB3 ASP 34 -7.017 12.881 1.677
231 HA PRO 35 HA PRO 35 -5.924 16.525 5.280
232 HB2 PRO 35 HB2 PRO 35 -7.520 18.519 6.128
233 HB3 PRO 35 HB3 PRO 35 -6.457 18.771 4.723
234 HG2 PRO 35 HG2 PRO 35 -9.405 18.146 4.754
235 HG3 PRO 35 HG3 PRO 35 -8.524 19.352 3.784
236 HD2 PRO 35 HD2 PRO 35 -9.226 16.827 2.845
237 HD3 PRO 35 HD3 PRO 35 -7.886 17.793 2.191
238 H LEU 36 H LEU 36 -8.951 15.167 4.595
239 HA LEU 36 HA LEU 36 -9.934 14.996 7.343
240 HB2 LEU 36 HB2 LEU 36 -11.088 13.881 4.761
241 HB3 LEU 36 HB3 LEU 36 -11.908 13.929 6.317
242 HG LEU 36 HG LEU 36 -11.145 16.337 4.614
243 HD11 LEU 36 HD11 LEU 36 -13.557 16.659 4.336
244 HD12 LEU 36 HD12 LEU 36 -13.872 15.174 5.242
245 HD13 LEU 36 HD13 LEU 36 -13.032 15.106 3.690
246 HD21 LEU 36 HD21 LEU 36 -12.566 16.277 7.300
247 HD22 LEU 36 HD22 LEU 36 -12.370 17.696 6.267
248 HD23 LEU 36 HD23 LEU 36 -10.953 16.927 6.973
249 H MET 37 H MET 37 -7.912 13.268 5.256
250 HA MET 37 HA MET 37 -6.796 11.320 5.332
251 HB2 MET 37 HB2 MET 37 -6.481 12.043 7.756
252 HB3 MET 37 HB3 MET 37 -7.833 11.011 8.180
253 HG2 MET 37 HG2 MET 37 -6.558 9.036 7.406
254 HG3 MET 37 HG3 MET 37 -5.202 10.089 6.984
255 HE1 MET 37 HE1 MET 37 -7.411 8.657 9.920
256 HE2 MET 37 HE2 MET 37 -7.598 10.399 10.133
257 HE3 MET 37 HE3 MET 37 -6.695 9.460 11.317
258 H LYS 38 H LYS 38 -9.274 11.382 4.159
259 HA LYS 38 HA LYS 38 -10.873 9.070 4.746
260 HB2 LYS 38 HB2 LYS 38 -10.641 10.626 2.130
261 HB3 LYS 38 HB3 LYS 38 -11.930 9.507 2.558
262 HG2 LYS 38 HG2 LYS 38 -11.438 11.987 4.226
263 HG3 LYS 38 HG3 LYS 38 -12.325 12.089 2.712
264 HD2 LYS 38 HD2 LYS 38 -13.905 11.941 4.525
265 HD3 LYS 38 HD3 LYS 38 -13.983 10.450 3.589
266 HE2 LYS 38 HE2 LYS 38 -14.127 10.091 6.052
267 HE3 LYS 38 HE3 LYS 38 -12.761 9.250 5.324
268 HZ1 LYS 38 HZ1 LYS 38 -12.180 10.341 7.409
269 HZ2 LYS 38 HZ2 LYS 38 -12.605 11.842 6.762
270 HZ3 LYS 38 HZ3 LYS 38 -11.294 10.992 6.119
271 H TYR 39 H TYR 39 -10.330 7.023 4.311
272 HA TYR 39 HA TYR 39 -7.754 6.413 3.249
273 HB2 TYR 39 HB2 TYR 39 -10.013 4.560 4.132
274 HB3 TYR 39 HB3 TYR 39 -8.353 4.058 3.795
275 HD1 TYR 39 HD2 TYR 39 -6.612 5.926 5.081
276 HD2 TYR 39 HD1 TYR 39 -10.418 4.545 6.476
277 HE1 TYR 39 HE2 TYR 39 -5.954 6.445 7.386
278 HE2 TYR 39 HE1 TYR 39 -9.749 5.071 8.785
279 HH TYR 39 HH TYR 39 -6.925 6.896 9.527
280 H ILE 40 H ILE 40 -7.829 7.168 1.195
281 HA ILE 40 HA ILE 40 -9.396 5.741 -0.865
282 HB ILE 40 HB ILE 40 -8.055 8.488 -0.850
283 HG12 ILE 40 HG12 ILE 40 -10.999 7.727 -1.115
284 HG13 ILE 40 HG13 ILE 40 -10.238 8.455 0.296
285 HG21 ILE 40 HG21 ILE 40 -9.435 7.166 -3.205
286 HG22 ILE 40 HG22 ILE 40 -7.706 7.487 -3.057
287 HG23 ILE 40 HG23 ILE 40 -8.842 8.830 -3.151
288 HD11 ILE 40 HD11 ILE 40 -11.499 10.102 -0.946
289 HD12 ILE 40 HD12 ILE 40 -10.582 9.760 -2.412
290 HD13 ILE 40 HD13 ILE 40 -9.780 10.488 -1.016
291 H CYS 41 H CYS 41 -8.224 4.272 -1.987
292 HA CYS 41 HA CYS 41 -5.408 3.988 -1.835
293 HB2 CYS 41 HB2 CYS 41 -6.894 2.089 -2.346
294 HB3 CYS 41 HB3 CYS 41 -7.368 2.846 -3.861
295 H HIS 42 H HIS 42 -4.047 5.342 -2.651
296 HA HIS 42 HA HIS 42 -4.691 7.568 -4.254
297 HB2 HIS 42 HB2 HIS 42 -3.017 7.520 -2.418
298 HB3 HIS 42 HB3 HIS 42 -1.984 6.483 -3.388
299 HD1 HIS 42 HD1 HIS 42 -0.223 7.661 -4.659
300 HD2 HIS 42 HD2 HIS 42 -3.388 10.194 -3.719
301 HE1 HIS 42 HE1 HIS 42 0.494 9.944 -5.396
302 HE2 HIS 42 HE2 HIS 42 -1.439 11.454 -4.838
303 H ILE 43 H ILE 43 -3.954 4.432 -5.235
304 HA ILE 43 HA ILE 43 -2.971 5.224 -7.908
305 HB ILE 43 HB ILE 43 -2.949 2.527 -6.468
306 HG12 ILE 43 HG12 ILE 43 -0.676 4.328 -7.422
307 HG13 ILE 43 HG13 ILE 43 -1.222 4.178 -5.758
308 HG21 ILE 43 HG21 ILE 43 -3.396 2.106 -8.857
309 HG22 ILE 43 HG22 ILE 43 -1.763 1.589 -8.439
310 HG23 ILE 43 HG23 ILE 43 -2.014 3.104 -9.309
311 HD11 ILE 43 HD11 ILE 43 -0.499 1.838 -5.737
312 HD12 ILE 43 HD12 ILE 43 0.820 2.945 -6.120
313 HD13 ILE 43 HD13 ILE 43 0.066 2.000 -7.403
314 H CYS 44 H CYS 44 -5.712 3.871 -6.184
315 HA CYS 44 HA CYS 44 -7.103 2.960 -8.591
316 HB2 CYS 44 HB2 CYS 44 -7.994 2.974 -5.683
317 HB3 CYS 44 HB3 CYS 44 -8.855 2.209 -7.018
318 H ASN 45 H ASN 45 -6.879 5.791 -6.640
319 HA ASN 45 HA ASN 45 -7.840 7.823 -6.584
320 HB2 ASN 45 HB2 ASN 45 -7.964 7.801 -9.035
321 HB3 ASN 45 HB3 ASN 45 -9.485 6.929 -8.977
322 HD21 ASN 45 HD21 ASN 45 -11.388 8.062 -8.623
323 HD22 ASN 45 HD22 ASN 45 -11.462 9.788 -8.547
324 H ARG 46 H ARG 46 -9.550 4.992 -6.010
325 HA ARG 46 HA ARG 46 -11.264 6.405 -4.106
326 HB2 ARG 46 HB2 ARG 46 -13.111 4.646 -4.555
327 HB3 ARG 46 HB3 ARG 46 -12.937 5.953 -5.698
328 HG2 ARG 46 HG2 ARG 46 -13.430 3.895 -6.879
329 HG3 ARG 46 HG3 ARG 46 -11.808 4.445 -7.294
330 HD2 ARG 46 HD2 ARG 46 -10.781 2.698 -6.030
331 HD3 ARG 46 HD3 ARG 46 -12.271 2.329 -5.172
332 HE ARG 46 HE ARG 46 -12.882 0.949 -6.867
333 HH11 ARG 46 HH11 ARG 46 -10.333 3.025 -8.162
334 HH12 ARG 46 HH12 ARG 46 -10.221 2.131 -9.642
335 HH21 ARG 46 HH21 ARG 46 -12.659 -0.203 -8.773
336 HH22 ARG 46 HH22 ARG 46 -11.527 0.317 -9.982
337 H GLY 47 H GLY 47 -11.934 5.075 -2.299
338 HA2 GLY 47 HA2 GLY 47 -10.012 2.911 -1.645
339 HA3 GLY 47 HA3 GLY 47 -10.779 3.983 -0.481
340 H ASP 48 H ASP 48 -12.004 2.056 -3.192
341 HA ASP 48 HA ASP 48 -14.498 1.417 -2.078
342 HB2 ASP 48 HB2 ASP 48 -13.994 1.367 -4.499
343 HB3 ASP 48 HB3 ASP 48 -12.946 -0.023 -4.278
344 H VAL 49 H VAL 49 -11.441 -0.409 -1.985
345 HA VAL 49 HA VAL 49 -12.629 -2.224 0.046
346 HB VAL 49 HB VAL 49 -10.175 -2.766 -1.688
347 HG11 VAL 49 HG11 VAL 49 -11.635 -4.588 0.276
348 HG12 VAL 49 HG12 VAL 49 -10.035 -3.879 0.511
349 HG13 VAL 49 HG13 VAL 49 -10.290 -5.069 -0.765
350 HG21 VAL 49 HG21 VAL 49 -12.231 -2.833 -3.041
351 HG22 VAL 49 HG22 VAL 49 -12.968 -3.961 -1.899
352 HG23 VAL 49 HG23 VAL 49 -11.560 -4.454 -2.847
353 H GLU 50 H GLU 50 -12.256 -0.857 1.805
354 HA GLU 50 HA GLU 50 -9.694 0.214 2.513
355 HB2 GLU 50 HB2 GLU 50 -10.675 0.595 4.746
356 HB3 GLU 50 HB3 GLU 50 -11.772 1.135 3.476
357 HG2 GLU 50 HG2 GLU 50 -13.151 -0.856 3.755
358 HG3 GLU 50 HG3 GLU 50 -12.015 -1.527 4.925
359 H GLU 51 H GLU 51 -11.165 -2.919 2.804
360 HA GLU 51 HA GLU 51 -9.894 -4.014 5.037
361 HB2 GLU 51 HB2 GLU 51 -10.817 -5.521 2.551
362 HB3 GLU 51 HB3 GLU 51 -10.690 -6.156 4.195
363 HG2 GLU 51 HG2 GLU 51 -12.506 -4.677 4.931
364 HG3 GLU 51 HG3 GLU 51 -12.613 -3.968 3.320
365 H SER 52 H SER 52 -8.851 -3.945 1.653
366 HA SER 52 HA SER 52 -6.377 -5.446 2.268
367 HB2 SER 52 HB2 SER 52 -7.495 -4.616 -0.448
368 HB3 SER 52 HB3 SER 52 -6.162 -5.741 -0.150
369 HG SER 52 HG SER 52 -8.125 -6.678 1.254
370 H MET 53 H MET 53 -7.102 -2.497 2.841
371 HA MET 53 HA MET 53 -5.130 -1.065 1.223
372 HB2 MET 53 HB2 MET 53 -7.380 -0.102 1.418
373 HB3 MET 53 HB3 MET 53 -7.221 -0.038 3.166
374 HG2 MET 53 HG2 MET 53 -5.446 1.625 2.982
375 HG3 MET 53 HG3 MET 53 -5.486 1.504 1.218
376 HE1 MET 53 HE1 MET 53 -7.644 2.190 -0.237
377 HE2 MET 53 HE2 MET 53 -9.090 2.905 0.474
378 HE3 MET 53 HE3 MET 53 -8.701 1.214 0.789
379 H LEU 54 H LEU 54 -3.205 -0.783 1.974
380 HA LEU 54 HA LEU 54 -2.414 -1.005 4.758
381 HB2 LEU 54 HB2 LEU 54 -0.665 -0.348 2.355
382 HB3 LEU 54 HB3 LEU 54 -0.161 -1.019 3.901
383 HG LEU 54 HG LEU 54 -1.763 -2.466 1.749
384 HD11 LEU 54 HD11 LEU 54 0.567 -2.161 1.137
385 HD12 LEU 54 HD12 LEU 54 0.236 -3.855 1.486
386 HD13 LEU 54 HD13 LEU 54 1.094 -2.860 2.668
387 HD21 LEU 54 HD21 LEU 54 -1.524 -4.471 3.169
388 HD22 LEU 54 HD22 LEU 54 -2.478 -3.217 3.951
389 HD23 LEU 54 HD23 LEU 54 -0.803 -3.480 4.446
390 H LEU 55 H LEU 55 -1.435 0.721 5.896
391 HA LEU 55 HA LEU 55 -1.801 3.431 4.773
392 HB2 LEU 55 HB2 LEU 55 -2.676 2.280 7.346
393 HB3 LEU 55 HB3 LEU 55 -1.717 3.727 7.584
394 HG LEU 55 HG LEU 55 -4.101 4.274 7.504
395 HD11 LEU 55 HD11 LEU 55 -2.614 5.305 5.056
396 HD12 LEU 55 HD12 LEU 55 -2.521 5.960 6.694
397 HD13 LEU 55 HD13 LEU 55 -4.037 6.048 5.801
398 HD21 LEU 55 HD21 LEU 55 -4.124 3.135 4.680
399 HD22 LEU 55 HD22 LEU 55 -5.461 3.950 5.493
400 HD23 LEU 55 HD23 LEU 55 -4.884 2.401 6.097
401 H CYS 56 H CYS 56 -0.014 4.602 4.533
402 HA CYS 56 HA CYS 56 2.558 3.750 5.405
403 HB2 CYS 56 HB2 CYS 56 2.155 5.055 3.319
404 HB3 CYS 56 HB3 CYS 56 1.722 6.453 4.295
405 H ASP 57 H ASP 57 2.375 3.530 7.575
406 HA ASP 57 HA ASP 57 1.290 5.293 9.443
407 HB2 ASP 57 HB2 ASP 57 1.654 2.855 9.796
408 HB3 ASP 57 HB3 ASP 57 3.394 3.110 9.823
409 H GLY 58 H GLY 58 2.162 7.381 8.869
410 HA2 GLY 58 HA2 GLY 58 3.790 8.577 10.627
411 HA3 GLY 58 HA3 GLY 58 4.946 8.005 9.431
412 H CYS 59 H CYS 59 3.015 8.381 7.202
413 HA CYS 59 HA CYS 59 2.841 11.338 7.069
414 HB2 CYS 59 HB2 CYS 59 3.450 11.015 4.586
415 HB3 CYS 59 HB3 CYS 59 4.747 10.845 5.772
416 H ASP 60 H ASP 60 1.234 8.413 6.817
417 HA ASP 60 HA ASP 60 -0.850 7.737 6.393
418 HB2 ASP 60 HB2 ASP 60 -1.495 10.717 6.490
419 HB3 ASP 60 HB3 ASP 60 -2.714 9.445 6.478
420 H ASP 61 H ASP 61 0.015 6.985 4.356
421 HA ASP 61 HA ASP 61 -1.403 8.169 2.043
422 HB2 ASP 61 HB2 ASP 61 1.093 6.431 1.890
423 HB3 ASP 61 HB3 ASP 61 0.299 7.264 0.566
424 H SER 62 H SER 62 -3.063 6.892 1.402
425 HA SER 62 HA SER 62 -3.266 4.145 2.415
426 HB2 SER 62 HB2 SER 62 -5.344 5.927 1.075
427 HB3 SER 62 HB3 SER 62 -5.659 4.369 1.839
428 HG SER 62 HG SER 62 -4.350 6.030 3.523
429 H TYR 63 H TYR 63 -2.834 2.473 1.150
430 HA TYR 63 HA TYR 63 -3.200 2.538 -1.786
431 HB2 TYR 63 HB2 TYR 63 -0.666 1.669 -0.313
432 HB3 TYR 63 HB3 TYR 63 -0.999 1.254 -1.990
433 HD1 TYR 63 HD2 TYR 63 -1.109 3.070 -3.719
434 HD2 TYR 63 HD1 TYR 63 0.226 3.862 0.255
435 HE1 TYR 63 HE2 TYR 63 -0.064 5.158 -4.483
436 HE2 TYR 63 HE1 TYR 63 1.280 5.943 -0.514
437 HH TYR 63 HH TYR 63 2.147 6.917 -2.618
438 H HIS 64 H HIS 64 -3.378 0.340 -2.696
439 HA HIS 64 HA HIS 64 -4.137 -1.747 -0.730
440 HB2 HIS 64 HB2 HIS 64 -4.395 -1.730 -3.763
441 HB3 HIS 64 HB3 HIS 64 -4.892 -3.064 -2.735
442 HD2 HIS 64 HD2 HIS 64 -6.837 -1.955 -0.684
443 HE1 HIS 64 HE1 HIS 64 -8.676 0.111 -3.848
444 HE2 HIS 64 HE2 HIS 64 -9.025 -0.920 -1.590
445 H THR 65 H THR 65 -3.182 -3.855 -0.838
446 HA THR 65 HA THR 65 -0.422 -4.147 -1.146
447 HB THR 65 HB THR 65 -0.926 -6.654 -1.255
448 HG1 THR 65 HG1 THR 65 -3.045 -7.319 -1.227
449 HG21 THR 65 HG21 THR 65 -1.924 -6.816 1.004
450 HG22 THR 65 HG22 THR 65 -2.408 -5.121 0.914
451 HG23 THR 65 HG23 THR 65 -0.696 -5.547 0.942
452 H PHE 66 H PHE 66 -3.007 -4.970 -3.438
453 HA PHE 66 HA PHE 66 -1.230 -5.964 -5.470
454 HB2 PHE 66 HB2 PHE 66 -3.311 -6.262 -6.827
455 HB3 PHE 66 HB3 PHE 66 -3.403 -7.018 -5.246
456 HD1 PHE 66 HD2 PHE 66 -4.728 -4.284 -7.377
457 HD2 PHE 66 HD1 PHE 66 -5.000 -6.218 -3.553
458 HE1 PHE 66 HE2 PHE 66 -6.875 -3.161 -6.951
459 HE2 PHE 66 HE1 PHE 66 -7.149 -5.088 -3.151
460 HZ PHE 66 HZ PHE 66 -8.085 -3.565 -4.845
461 H CYS 67 H CYS 67 -2.429 -2.801 -4.706
462 HA CYS 67 HA CYS 67 -2.300 -1.673 -7.347
463 HB2 CYS 67 HB2 CYS 67 -2.451 -0.372 -4.596
464 HB3 CYS 67 HB3 CYS 67 -2.463 0.551 -6.108
465 H LEU 68 H LEU 68 -0.057 -2.098 -4.714
466 HA LEU 68 HA LEU 68 1.862 -0.108 -5.424
467 HB2 LEU 68 HB2 LEU 68 2.008 -2.563 -3.651
468 HB3 LEU 68 HB3 LEU 68 3.299 -1.371 -3.746
469 HG LEU 68 HG LEU 68 0.484 -0.532 -2.967
470 HD11 LEU 68 HD11 LEU 68 1.035 -2.356 -1.460
471 HD12 LEU 68 HD12 LEU 68 1.023 -0.812 -0.615
472 HD13 LEU 68 HD13 LEU 68 2.561 -1.575 -1.031
473 HD21 LEU 68 HD21 LEU 68 3.204 0.674 -2.325
474 HD22 LEU 68 HD22 LEU 68 1.632 1.324 -1.849
475 HD23 LEU 68 HD23 LEU 68 2.072 1.255 -3.552
476 H LEU 69 H LEU 69 3.861 -0.305 -6.408
477 HA LEU 69 HA LEU 69 4.661 -2.915 -7.573
478 HB2 LEU 69 HB2 LEU 69 5.302 -0.105 -8.578
479 HB3 LEU 69 HB3 LEU 69 6.107 -1.553 -9.148
480 HG LEU 69 HG LEU 69 3.774 -2.385 -9.906
481 HD11 LEU 69 HD11 LEU 69 2.081 -0.667 -10.385
482 HD12 LEU 69 HD12 LEU 69 3.059 0.536 -9.538
483 HD13 LEU 69 HD13 LEU 69 2.376 -0.830 -8.655
484 HD21 LEU 69 HD21 LEU 69 4.964 0.025 -11.307
485 HD22 LEU 69 HD22 LEU 69 3.892 -1.177 -12.031
486 HD23 LEU 69 HD23 LEU 69 5.499 -1.649 -11.485
487 HA PRO 70 HA PRO 70 5.994 -4.489 -7.247
488 HB2 PRO 70 HB2 PRO 70 7.063 -6.184 -5.391
489 HB3 PRO 70 HB3 PRO 70 8.074 -5.391 -6.622
490 HG2 PRO 70 HG2 PRO 70 7.658 -4.611 -3.743
491 HG3 PRO 70 HG3 PRO 70 9.169 -4.691 -4.678
492 HD2 PRO 70 HD2 PRO 70 7.824 -2.337 -4.247
493 HD3 PRO 70 HD3 PRO 70 8.821 -2.627 -5.689
494 HA PRO 71 HA PRO 71 2.238 -4.955 -4.775
495 HB2 PRO 71 HB2 PRO 71 1.895 -7.636 -6.059
496 HB3 PRO 71 HB3 PRO 71 0.854 -6.200 -6.162
497 HG2 PRO 71 HG2 PRO 71 2.323 -7.000 -8.264
498 HG3 PRO 71 HG3 PRO 71 2.047 -5.275 -7.920
499 HD2 PRO 71 HD2 PRO 71 4.492 -6.939 -7.314
500 HD3 PRO 71 HD3 PRO 71 4.391 -5.295 -7.987
501 H LEU 72 H LEU 72 1.803 -5.789 -2.817
502 HA LEU 72 HA LEU 72 3.652 -7.748 -1.668
503 HB2 LEU 72 HB2 LEU 72 1.509 -6.055 -0.317
504 HB3 LEU 72 HB3 LEU 72 2.704 -7.056 0.505
505 HG LEU 72 HG LEU 72 3.235 -4.520 -1.108
506 HD11 LEU 72 HD11 LEU 72 4.102 -3.615 0.995
507 HD12 LEU 72 HD12 LEU 72 3.670 -5.111 1.831
508 HD13 LEU 72 HD13 LEU 72 2.414 -4.088 1.137
509 HD21 LEU 72 HD21 LEU 72 5.626 -4.803 -0.538
510 HD22 LEU 72 HD22 LEU 72 5.033 -6.076 -1.597
511 HD23 LEU 72 HD23 LEU 72 5.275 -6.404 0.122
512 H THR 73 H THR 73 3.102 -9.793 -1.162
513 HA THR 73 HA THR 73 0.670 -10.926 -2.224
514 HB THR 73 HB THR 73 2.858 -12.110 -2.392
515 HG1 THR 73 HG1 THR 73 1.526 -13.732 -2.567
516 HG21 THR 73 HG21 THR 73 2.609 -12.536 0.609
517 HG22 THR 73 HG22 THR 73 3.827 -11.543 -0.194
518 HG23 THR 73 HG23 THR 73 3.810 -13.289 -0.446
519 H SER 74 H SER 74 1.496 -9.548 0.733
520 HA SER 74 HA SER 74 -0.853 -10.528 2.138
521 HB2 SER 74 HB2 SER 74 0.564 -11.184 4.150
522 HB3 SER 74 HB3 SER 74 0.748 -12.245 2.755
523 HG SER 74 HG SER 74 2.571 -10.451 3.878
524 H ILE 75 H ILE 75 -1.257 -9.305 4.096
525 HA ILE 75 HA ILE 75 -0.517 -6.507 3.949
526 HB ILE 75 HB ILE 75 -2.342 -8.024 5.876
527 HG12 ILE 75 HG12 ILE 75 -3.031 -6.189 3.523
528 HG13 ILE 75 HG13 ILE 75 -3.177 -7.946 3.531
529 HG21 ILE 75 HG21 ILE 75 -1.964 -5.012 5.656
530 HG22 ILE 75 HG22 ILE 75 -1.436 -6.022 7.001
531 HG23 ILE 75 HG23 ILE 75 -3.156 -5.828 6.666
532 HD11 ILE 75 HD11 ILE 75 -4.758 -6.024 5.242
533 HD12 ILE 75 HD12 ILE 75 -4.890 -7.786 5.273
534 HD13 ILE 75 HD13 ILE 75 -5.333 -6.895 3.819
535 HA PRO 76 HA PRO 76 2.814 -7.308 7.017
536 HB2 PRO 76 HB2 PRO 76 4.215 -5.014 6.668
537 HB3 PRO 76 HB3 PRO 76 4.207 -6.275 5.410
538 HG2 PRO 76 HG2 PRO 76 2.610 -3.723 5.531
539 HG3 PRO 76 HG3 PRO 76 3.472 -4.442 4.150
540 HD2 PRO 76 HD2 PRO 76 0.755 -4.727 4.566
541 HD3 PRO 76 HD3 PRO 76 1.735 -5.889 3.648
542 H LYS 77 H LYS 77 0.514 -6.915 8.210
543 HA LYS 77 HA LYS 77 -0.449 -6.354 10.145
544 HB2 LYS 77 HB2 LYS 77 1.844 -6.337 11.100
545 HB3 LYS 77 HB3 LYS 77 1.988 -4.628 10.713
546 HG2 LYS 77 HG2 LYS 77 0.150 -4.117 12.292
547 HG3 LYS 77 HG3 LYS 77 -0.010 -5.838 12.653
548 HD2 LYS 77 HD2 LYS 77 2.326 -5.833 13.541
549 HD3 LYS 77 HD3 LYS 77 2.414 -4.093 13.237
550 HE2 LYS 77 HE2 LYS 77 1.919 -4.576 15.609
551 HE3 LYS 77 HE3 LYS 77 0.585 -3.712 14.843
552 HZ1 LYS 77 HZ1 LYS 77 0.673 -6.659 15.249
553 HZ2 LYS 77 HZ2 LYS 77 -0.629 -5.762 14.653
554 HZ3 LYS 77 HZ3 LYS 77 -0.143 -5.572 16.256
555 H GLY 78 H GLY 78 0.485 -3.762 8.002
556 HA2 GLY 78 HA2 GLY 78 -0.989 -1.952 7.465
557 HA3 GLY 78 HA3 GLY 78 -1.621 -1.988 9.107
558 H GLU 79 H GLU 79 1.032 -2.254 10.350
559 HA GLU 79 HA GLU 79 2.030 0.449 10.318
560 HB2 GLU 79 HB2 GLU 79 2.129 -0.954 12.388
561 HB3 GLU 79 HB3 GLU 79 3.243 -2.057 11.581
562 HG2 GLU 79 HG2 GLU 79 4.833 -0.096 11.308
563 HG3 GLU 79 HG3 GLU 79 3.758 0.841 12.343
564 H TRP 80 H TRP 80 2.670 0.861 8.268
565 HA TRP 80 HA TRP 80 4.934 -0.562 7.038
566 HB2 TRP 80 HB2 TRP 80 3.079 -1.828 6.198
567 HB3 TRP 80 HB3 TRP 80 2.078 -0.401 6.002
568 HD1 TRP 80 HD1 TRP 80 5.016 -2.244 4.262
569 HE1 TRP 80 HE1 TRP 80 4.964 -1.584 1.777
570 HE3 TRP 80 HE3 TRP 80 1.391 1.340 4.459
571 HZ2 TRP 80 HZ2 TRP 80 3.576 0.236 0.121
572 HZ3 TRP 80 HZ3 TRP 80 0.751 2.513 2.385
573 HH2 TRP 80 HH2 TRP 80 1.829 1.968 0.255
574 H LEU 81 H LEU 81 5.949 0.673 5.359
575 HA LEU 81 HA LEU 81 5.169 3.535 5.175
576 HB2 LEU 81 HB2 LEU 81 7.967 2.341 5.119
577 HB3 LEU 81 HB3 LEU 81 7.598 4.034 4.813
578 HG LEU 81 HG LEU 81 7.144 2.576 7.457
579 HD11 LEU 81 HD11 LEU 81 9.523 2.922 7.020
580 HD12 LEU 81 HD12 LEU 81 8.962 3.941 8.342
581 HD13 LEU 81 HD13 LEU 81 9.241 4.646 6.747
582 HD21 LEU 81 HD21 LEU 81 6.598 4.792 8.382
583 HD22 LEU 81 HD22 LEU 81 5.464 4.333 7.119
584 HD23 LEU 81 HD23 LEU 81 6.732 5.512 6.772
585 H CYS 82 H CYS 82 4.773 4.272 3.199
586 HA CYS 82 HA CYS 82 4.633 2.575 0.937
587 HB2 CYS 82 HB2 CYS 82 3.979 4.708 -0.275
588 HB3 CYS 82 HB3 CYS 82 3.007 4.346 1.151
589 HA PRO 83 HA PRO 83 8.752 2.755 -0.824
590 HB2 PRO 83 HB2 PRO 83 7.380 3.106 -3.492
591 HB3 PRO 83 HB3 PRO 83 8.594 1.907 -2.995
592 HG2 PRO 83 HG2 PRO 83 6.054 1.173 -3.235
593 HG3 PRO 83 HG3 PRO 83 7.038 0.570 -1.882
594 HD2 PRO 83 HD2 PRO 83 4.936 2.729 -1.859
595 HD3 PRO 83 HD3 PRO 83 5.271 1.468 -0.650
596 H ARG 84 H ARG 84 6.404 5.187 -1.816
597 HA ARG 84 HA ARG 84 8.211 7.065 -2.942
598 HB2 ARG 84 HB2 ARG 84 5.444 7.556 -1.753
599 HB3 ARG 84 HB3 ARG 84 6.333 8.689 -2.765
600 HG2 ARG 84 HG2 ARG 84 5.140 6.021 -3.590
601 HG3 ARG 84 HG3 ARG 84 4.637 7.635 -4.102
602 HD2 ARG 84 HD2 ARG 84 7.207 6.188 -4.830
603 HD3 ARG 84 HD3 ARG 84 5.874 6.612 -5.905
604 HE ARG 84 HE ARG 84 7.039 8.914 -4.670
605 HH11 ARG 84 HH11 ARG 84 7.489 6.688 -7.368
606 HH12 ARG 84 HH12 ARG 84 8.424 7.826 -8.285
607 HH21 ARG 84 HH21 ARG 84 8.324 10.325 -5.846
608 HH22 ARG 84 HH22 ARG 84 8.897 9.888 -7.424
609 H CYS 85 H CYS 85 7.054 6.536 0.379
610 HA CYS 85 HA CYS 85 8.409 8.899 1.383
611 HB2 CYS 85 HB2 CYS 85 6.882 6.685 2.800
612 HB3 CYS 85 HB3 CYS 85 7.567 8.098 3.621
613 H VAL 86 H VAL 86 9.107 5.479 1.008
614 HA VAL 86 HA VAL 86 11.263 5.299 2.867
615 HB VAL 86 HB VAL 86 10.754 3.608 0.374
616 HG11 VAL 86 HG11 VAL 86 12.248 1.925 1.459
617 HG12 VAL 86 HG12 VAL 86 12.612 3.095 2.731
618 HG13 VAL 86 HG13 VAL 86 13.098 3.421 1.066
619 HG21 VAL 86 HG21 VAL 86 9.780 1.939 1.953
620 HG22 VAL 86 HG22 VAL 86 8.890 3.462 1.990
621 HG23 VAL 86 HG23 VAL 86 10.020 3.073 3.287
622 H VAL 87 H VAL 87 11.153 5.904 -0.655
623 HA VAL 87 HA VAL 87 13.938 6.657 -0.848
624 HB VAL 87 HB VAL 87 11.678 7.246 -2.824
625 HG11 VAL 87 HG11 VAL 87 13.463 7.439 -4.535
626 HG12 VAL 87 HG12 VAL 87 14.690 7.169 -3.293
627 HG13 VAL 87 HG13 VAL 87 13.688 8.621 -3.244
628 HG21 VAL 87 HG21 VAL 87 13.553 4.845 -2.775
629 HG22 VAL 87 HG22 VAL 87 12.380 5.207 -4.045
630 HG23 VAL 87 HG23 VAL 87 11.824 4.820 -2.414
631 H GLU 88 H GLU 88 11.044 8.149 0.137
632 HA GLU 88 HA GLU 88 10.361 10.044 0.913
633 HB2 GLU 88 HB2 GLU 88 12.625 10.230 2.021
634 HB3 GLU 88 HB3 GLU 88 13.154 11.199 0.642
635 HG2 GLU 88 HG2 GLU 88 11.219 12.738 1.133
636 HG3 GLU 88 HG3 GLU 88 10.976 11.859 2.638
637 H GLU 89 H GLU 89 9.071 11.364 -0.174
638 HA GLU 89 HA GLU 89 9.302 12.068 -2.893
639 HB2 GLU 89 HB2 GLU 89 7.633 13.243 -0.617
640 HB3 GLU 89 HB3 GLU 89 7.474 13.787 -2.285
641 HG2 GLU 89 HG2 GLU 89 7.058 10.901 -1.426
642 HG3 GLU 89 HG3 GLU 89 5.756 12.093 -1.524
643 H VAL 90 H VAL 90 10.482 13.599 -3.864
644 HA VAL 90 HA VAL 90 12.386 15.178 -2.612
645 HB VAL 90 HB VAL 90 12.671 16.369 -4.771
646 HG11 VAL 90 HG11 VAL 90 12.305 13.367 -5.126
647 HG12 VAL 90 HG12 VAL 90 13.737 14.166 -4.472
648 HG13 VAL 90 HG13 VAL 90 13.281 14.419 -6.156
649 HG21 VAL 90 HG21 VAL 90 10.319 16.596 -5.489
650 HG22 VAL 90 HG22 VAL 90 10.215 14.853 -5.740
651 HG23 VAL 90 HG23 VAL 90 11.285 15.827 -6.752
652 H SER 91 H SER 91 12.296 17.037 -1.523
653 HA SER 91 HA SER 91 9.681 18.124 -0.883
654 HB2 SER 91 HB2 SER 91 10.947 19.243 0.976
655 HB3 SER 91 HB3 SER 91 11.187 17.495 0.926
656 HG SER 91 HG SER 91 12.996 19.229 -0.382
657 H LYS 92 H LYS 92 10.159 18.887 -3.426
658 HA LYS 92 HA LYS 92 10.416 20.489 -4.954
659 HB2 LYS 92 HB2 LYS 92 8.713 21.698 -3.729
660 HB3 LYS 92 HB3 LYS 92 9.889 22.290 -2.565
661 HG2 LYS 92 HG2 LYS 92 9.171 24.046 -4.160
662 HG3 LYS 92 HG3 LYS 92 10.909 23.735 -4.237
663 HD2 LYS 92 HD2 LYS 92 10.505 22.290 -6.272
664 HD3 LYS 92 HD3 LYS 92 8.800 22.754 -6.223
665 HE2 LYS 92 HE2 LYS 92 9.401 25.089 -6.611
666 HE3 LYS 92 HE3 LYS 92 11.117 24.695 -6.515
667 HZ1 LYS 92 HZ1 LYS 92 10.782 23.255 -8.476
668 HZ2 LYS 92 HZ2 LYS 92 10.522 24.895 -8.780
669 HZ3 LYS 92 HZ3 LYS 92 9.203 23.849 -8.611
670 HA PRO 93 HA PRO 93 14.959 21.155 -4.350
671 HB2 PRO 93 HB2 PRO 93 15.627 20.732 -6.995
672 HB3 PRO 93 HB3 PRO 93 15.383 19.399 -5.847
673 HG2 PRO 93 HG2 PRO 93 13.449 20.501 -7.875
674 HG3 PRO 93 HG3 PRO 93 13.842 18.803 -7.505
675 HD2 PRO 93 HD2 PRO 93 11.617 19.985 -6.503
676 HD3 PRO 93 HD3 PRO 93 12.521 18.769 -5.573
677 H GLN 94 H GLN 94 16.201 22.980 -4.871
678 HA GLN 94 HA GLN 94 14.787 25.321 -5.809
679 HB2 GLN 94 HB2 GLN 94 16.531 25.113 -3.835
680 HB3 GLN 94 HB3 GLN 94 17.747 25.255 -5.092
681 HG2 GLN 94 HG2 GLN 94 15.619 27.318 -4.402
682 HG3 GLN 94 HG3 GLN 94 17.326 27.409 -3.984
683 HE21 GLN 94 HE21 GLN 94 14.965 27.806 -6.487
684 HE22 GLN 94 HE22 GLN 94 16.002 28.552 -7.650
Start of MODEL 3
1 H1 SER 1 H1 SER 1 -4.393 73.794 -61.733
2 H2 SER 1 H2 SER 1 -5.620 74.870 -62.168
3 H3 SER 1 H3 SER 1 -4.032 75.165 -62.652
4 HA SER 1 HA SER 1 -5.377 74.341 -64.462
5 HB2 SER 1 HB2 SER 1 -3.182 72.444 -63.504
6 HB3 SER 1 HB3 SER 1 -3.800 72.522 -65.157
7 HG SER 1 HG SER 1 -2.105 74.260 -63.805
8 H HIS 2 H HIS 2 -6.961 72.943 -65.184
9 HA HIS 2 HA HIS 2 -8.363 71.255 -63.362
10 HB2 HIS 2 HB2 HIS 2 -9.522 72.401 -65.240
11 HB3 HIS 2 HB3 HIS 2 -8.610 71.450 -66.405
12 HD2 HIS 2 HD2 HIS 2 -11.602 71.031 -63.919
13 HE1 HIS 2 HE1 HIS 2 -11.307 67.563 -66.325
14 HE2 HIS 2 HE2 HIS 2 -12.708 68.796 -64.614
15 H MET 3 H MET 3 -7.476 69.426 -62.665
16 HA MET 3 HA MET 3 -6.066 67.596 -64.520
17 HB2 MET 3 HB2 MET 3 -4.687 68.265 -62.612
18 HB3 MET 3 HB3 MET 3 -5.958 67.843 -61.477
19 HG2 MET 3 HG2 MET 3 -4.439 66.073 -61.283
20 HG3 MET 3 HG3 MET 3 -5.654 65.413 -62.369
21 HE1 MET 3 HE1 MET 3 -5.020 66.168 -65.316
22 HE2 MET 3 HE2 MET 3 -5.135 64.508 -64.733
23 HE3 MET 3 HE3 MET 3 -3.754 65.002 -65.708
24 H SER 4 H SER 4 -7.391 66.053 -65.265
25 HA SER 4 HA SER 4 -9.726 65.114 -63.855
26 HB2 SER 4 HB2 SER 4 -8.412 64.029 -66.393
27 HB3 SER 4 HB3 SER 4 -10.002 63.568 -65.774
28 HG SER 4 HG SER 4 -9.483 66.286 -66.203
29 H GLY 5 H GLY 5 -8.648 64.509 -61.897
30 HA2 GLY 5 HA2 GLY 5 -7.115 61.958 -61.983
31 HA3 GLY 5 HA3 GLY 5 -6.985 63.175 -60.718
32 H GLY 6 H GLY 6 -7.984 60.200 -61.022
33 HA2 GLY 6 HA2 GLY 6 -10.689 60.344 -59.920
34 HA3 GLY 6 HA3 GLY 6 -9.778 58.896 -60.316
35 H SER 7 H SER 7 -11.318 59.620 -57.936
36 HA SER 7 HA SER 7 -9.266 58.912 -55.914
37 HB2 SER 7 HB2 SER 7 -11.847 60.476 -55.415
38 HB3 SER 7 HB3 SER 7 -10.655 60.011 -54.199
39 HG SER 7 HG SER 7 -9.256 61.265 -55.954
40 HA PRO 8 HA PRO 8 -12.095 55.303 -56.768
41 HB2 PRO 8 HB2 PRO 8 -9.761 53.771 -55.654
42 HB3 PRO 8 HB3 PRO 8 -10.626 53.548 -57.192
43 HG2 PRO 8 HG2 PRO 8 -8.164 54.587 -57.159
44 HG3 PRO 8 HG3 PRO 8 -9.396 55.204 -58.288
45 HD2 PRO 8 HD2 PRO 8 -8.482 56.386 -55.665
46 HD3 PRO 8 HD3 PRO 8 -8.771 57.194 -57.224
47 H LEU 9 H LEU 9 -13.631 54.855 -55.341
48 HA LEU 9 HA LEU 9 -13.285 55.015 -52.475
49 HB2 LEU 9 HB2 LEU 9 -15.697 54.220 -54.170
50 HB3 LEU 9 HB3 LEU 9 -15.714 54.297 -52.417
51 HG LEU 9 HG LEU 9 -15.185 56.786 -52.604
52 HD11 LEU 9 HD11 LEU 9 -15.657 57.948 -54.702
53 HD12 LEU 9 HD12 LEU 9 -15.851 56.400 -55.529
54 HD13 LEU 9 HD13 LEU 9 -14.281 56.860 -54.868
55 HD21 LEU 9 HD21 LEU 9 -17.498 57.430 -53.092
56 HD22 LEU 9 HD22 LEU 9 -17.437 55.976 -52.099
57 HD23 LEU 9 HD23 LEU 9 -17.798 55.848 -53.823
58 H ALA 10 H ALA 10 -11.549 53.325 -52.578
59 HA ALA 10 HA ALA 10 -12.106 50.608 -53.219
60 HB1 ALA 10 HB1 ALA 10 -9.935 50.105 -52.150
61 HB2 ALA 10 HB2 ALA 10 -9.869 51.747 -51.504
62 HB3 ALA 10 HB3 ALA 10 -9.808 51.483 -53.247
63 H THR 11 H THR 11 -13.823 49.736 -52.156
64 HA THR 11 HA THR 11 -14.069 50.099 -49.225
65 HB THR 11 HB THR 11 -15.843 51.266 -50.448
66 HG1 THR 11 HG1 THR 11 -16.372 50.291 -48.441
67 HG21 THR 11 HG21 THR 11 -16.641 48.557 -51.593
68 HG22 THR 11 HG22 THR 11 -15.959 49.900 -52.514
69 HG23 THR 11 HG23 THR 11 -17.550 50.060 -51.769
70 H GLY 12 H GLY 12 -14.827 48.429 -47.981
71 HA2 GLY 12 HA2 GLY 12 -15.370 45.786 -49.031
72 HA3 GLY 12 HA3 GLY 12 -13.855 45.930 -48.136
73 H THR 13 H THR 13 -17.147 47.224 -47.785
74 HA THR 13 HA THR 13 -17.034 47.196 -44.921
75 HB THR 13 HB THR 13 -19.440 47.974 -45.081
76 HG1 THR 13 HG1 THR 13 -20.168 47.088 -46.962
77 HG21 THR 13 HG21 THR 13 -17.479 49.509 -46.827
78 HG22 THR 13 HG22 THR 13 -17.596 49.626 -45.068
79 HG23 THR 13 HG23 THR 13 -18.936 50.168 -46.081
80 H THR 14 H THR 14 -16.635 44.987 -44.494
81 HA THR 14 HA THR 14 -19.035 43.226 -44.501
82 HB THR 14 HB THR 14 -17.381 41.290 -44.419
83 HG1 THR 14 HG1 THR 14 -15.288 42.613 -45.536
84 HG21 THR 14 HG21 THR 14 -17.164 43.038 -46.908
85 HG22 THR 14 HG22 THR 14 -18.448 41.874 -46.577
86 HG23 THR 14 HG23 THR 14 -16.795 41.311 -46.827
87 H ALA 15 H ALA 15 -19.787 42.954 -42.491
88 HA ALA 15 HA ALA 15 -17.981 43.033 -40.139
89 HB1 ALA 15 HB1 ALA 15 -19.611 44.441 -38.945
90 HB2 ALA 15 HB2 ALA 15 -20.643 44.497 -40.376
91 HB3 ALA 15 HB3 ALA 15 -19.052 45.258 -40.406
92 H ASN 16 H ASN 16 -19.298 40.830 -41.668
93 HA ASN 16 HA ASN 16 -21.691 39.970 -40.388
94 HB2 ASN 16 HB2 ASN 16 -19.728 38.293 -42.018
95 HB3 ASN 16 HB3 ASN 16 -21.390 37.855 -41.627
96 HD21 ASN 16 HD21 ASN 16 -22.108 37.703 -43.725
97 HD22 ASN 16 HD22 ASN 16 -22.205 39.046 -44.807
98 H THR 17 H THR 17 -21.979 38.805 -38.591
99 HA THR 17 HA THR 17 -19.684 37.943 -36.976
100 HB THR 17 HB THR 17 -21.447 37.666 -35.166
101 HG1 THR 17 HG1 THR 17 -23.532 38.224 -35.563
102 HG21 THR 17 HG21 THR 17 -20.187 39.792 -35.352
103 HG22 THR 17 HG22 THR 17 -21.842 40.079 -34.813
104 HG23 THR 17 HG23 THR 17 -21.394 40.410 -36.487
105 H ARG 18 H ARG 18 -19.001 35.912 -37.329
106 HA ARG 18 HA ARG 18 -20.803 33.855 -38.443
107 HB2 ARG 18 HB2 ARG 18 -18.587 34.463 -39.534
108 HB3 ARG 18 HB3 ARG 18 -17.772 33.769 -38.139
109 HG2 ARG 18 HG2 ARG 18 -18.800 31.556 -38.677
110 HG3 ARG 18 HG3 ARG 18 -19.570 32.283 -40.092
111 HD2 ARG 18 HD2 ARG 18 -16.606 31.896 -39.594
112 HD3 ARG 18 HD3 ARG 18 -17.599 31.143 -40.847
113 HE ARG 18 HE ARG 18 -17.242 34.071 -40.819
114 HH11 ARG 18 HH11 ARG 18 -16.671 31.008 -42.502
115 HH12 ARG 18 HH12 ARG 18 -16.142 31.796 -43.956
116 HH21 ARG 18 HH21 ARG 18 -16.512 35.052 -42.673
117 HH22 ARG 18 HH22 ARG 18 -16.049 34.101 -44.046
118 H GLY 19 H GLY 19 -19.665 34.771 -35.405
119 HA2 GLY 19 HA2 GLY 19 -19.003 32.143 -34.330
120 HA3 GLY 19 HA3 GLY 19 -18.997 33.675 -33.469
121 H ALA 20 H ALA 20 -21.494 31.765 -35.185
122 HA ALA 20 HA ALA 20 -23.463 32.184 -33.087
123 HB1 ALA 20 HB1 ALA 20 -24.157 32.209 -35.447
124 HB2 ALA 20 HB2 ALA 20 -24.950 30.887 -34.588
125 HB3 ALA 20 HB3 ALA 20 -23.583 30.554 -35.656
126 H SER 21 H SER 21 -22.216 31.209 -31.408
127 HA SER 21 HA SER 21 -22.503 28.294 -31.188
128 HB2 SER 21 HB2 SER 21 -19.855 29.722 -30.623
129 HB3 SER 21 HB3 SER 21 -20.178 27.999 -30.431
130 HG SER 21 HG SER 21 -20.788 28.330 -32.847
131 H GLN 22 H GLN 22 -24.037 28.505 -29.577
132 HA GLN 22 HA GLN 22 -23.147 29.596 -26.976
133 HB2 GLN 22 HB2 GLN 22 -24.559 31.337 -28.043
134 HB3 GLN 22 HB3 GLN 22 -25.856 30.166 -28.277
135 HG2 GLN 22 HG2 GLN 22 -26.006 29.917 -25.775
136 HG3 GLN 22 HG3 GLN 22 -24.801 31.195 -25.616
137 HE21 GLN 22 HE21 GLN 22 -25.392 33.343 -26.161
138 HE22 GLN 22 HE22 GLN 22 -27.048 33.819 -26.291
139 H LYS 23 H LYS 23 -23.264 27.944 -25.572
140 HA LYS 23 HA LYS 23 -25.527 26.019 -25.728
141 HB2 LYS 23 HB2 LYS 23 -24.037 24.288 -24.810
142 HB3 LYS 23 HB3 LYS 23 -23.362 24.931 -26.304
143 HG2 LYS 23 HG2 LYS 23 -21.782 26.308 -25.025
144 HG3 LYS 23 HG3 LYS 23 -22.481 25.735 -23.511
145 HD2 LYS 23 HD2 LYS 23 -21.764 23.405 -24.137
146 HD3 LYS 23 HD3 LYS 23 -20.949 24.083 -25.555
147 HE2 LYS 23 HE2 LYS 23 -19.376 23.729 -23.674
148 HE3 LYS 23 HE3 LYS 23 -19.502 25.437 -24.097
149 HZ1 LYS 23 HZ1 LYS 23 -20.928 24.121 -21.837
150 HZ2 LYS 23 HZ2 LYS 23 -20.994 25.766 -22.227
151 HZ3 LYS 23 HZ3 LYS 23 -19.542 25.082 -21.697
152 H LYS 24 H LYS 24 -26.645 25.664 -23.852
153 HA LYS 24 HA LYS 24 -25.626 26.716 -21.298
154 HB2 LYS 24 HB2 LYS 24 -28.419 27.313 -22.389
155 HB3 LYS 24 HB3 LYS 24 -27.892 27.643 -20.738
156 HG2 LYS 24 HG2 LYS 24 -26.086 29.152 -21.735
157 HG3 LYS 24 HG3 LYS 24 -26.889 28.951 -23.293
158 HD2 LYS 24 HD2 LYS 24 -28.170 30.118 -20.792
159 HD3 LYS 24 HD3 LYS 24 -27.531 31.057 -22.141
160 HE2 LYS 24 HE2 LYS 24 -29.209 30.076 -23.645
161 HE3 LYS 24 HE3 LYS 24 -29.834 29.077 -22.327
162 HZ1 LYS 24 HZ1 LYS 24 -31.179 31.064 -22.657
163 HZ2 LYS 24 HZ2 LYS 24 -29.836 32.052 -22.384
164 HZ3 LYS 24 HZ3 LYS 24 -30.440 31.089 -21.135
165 H GLY 25 H GLY 25 -25.985 25.410 -19.639
166 HA2 GLY 25 HA2 GLY 25 -27.778 23.669 -18.815
167 HA3 GLY 25 HA3 GLY 25 -27.147 22.762 -20.193
168 H GLY 26 H GLY 26 -25.532 21.394 -19.707
169 HA2 GLY 26 HA2 GLY 26 -23.590 20.552 -18.820
170 HA3 GLY 26 HA3 GLY 26 -23.278 22.125 -18.103
171 H GLU 27 H GLU 27 -25.491 19.358 -17.737
172 HA GLU 27 HA GLU 27 -26.083 19.693 -14.988
173 HB2 GLU 27 HB2 GLU 27 -27.490 18.336 -16.538
174 HB3 GLU 27 HB3 GLU 27 -26.188 17.158 -16.694
175 HG2 GLU 27 HG2 GLU 27 -26.373 16.751 -14.197
176 HG3 GLU 27 HG3 GLU 27 -27.804 17.779 -14.194
177 HA PRO 28 HA PRO 28 -21.908 18.326 -13.693
178 HB2 PRO 28 HB2 PRO 28 -22.139 18.851 -11.005
179 HB3 PRO 28 HB3 PRO 28 -21.919 20.136 -12.211
180 HG2 PRO 28 HG2 PRO 28 -24.458 19.217 -10.893
181 HG3 PRO 28 HG3 PRO 28 -23.881 20.872 -11.193
182 HD2 PRO 28 HD2 PRO 28 -25.713 19.657 -12.809
183 HD3 PRO 28 HD3 PRO 28 -24.548 20.853 -13.420
184 HA PRO 29 HA PRO 29 -22.868 14.066 -12.473
185 HB2 PRO 29 HB2 PRO 29 -20.334 13.238 -11.710
186 HB3 PRO 29 HB3 PRO 29 -20.833 13.422 -13.405
187 HG2 PRO 29 HG2 PRO 29 -19.260 15.318 -11.692
188 HG3 PRO 29 HG3 PRO 29 -18.988 14.847 -13.385
189 HD2 PRO 29 HD2 PRO 29 -20.183 17.193 -12.714
190 HD3 PRO 29 HD3 PRO 29 -20.624 16.309 -14.191
191 H ALA 30 H ALA 30 -24.056 13.859 -10.669
192 HA ALA 30 HA ALA 30 -23.475 14.993 -8.107
193 HB1 ALA 30 HB1 ALA 30 -25.570 12.928 -8.881
194 HB2 ALA 30 HB2 ALA 30 -25.775 14.681 -8.933
195 HB3 ALA 30 HB3 ALA 30 -25.539 13.869 -7.384
196 H LEU 31 H LEU 31 -22.467 12.077 -9.593
197 HA LEU 31 HA LEU 31 -22.133 10.451 -7.266
198 HB2 LEU 31 HB2 LEU 31 -22.265 9.706 -9.727
199 HB3 LEU 31 HB3 LEU 31 -20.592 10.197 -9.884
200 HG LEU 31 HG LEU 31 -21.496 8.074 -7.877
201 HD11 LEU 31 HD11 LEU 31 -22.144 7.340 -10.118
202 HD12 LEU 31 HD12 LEU 31 -20.837 6.349 -9.477
203 HD13 LEU 31 HD13 LEU 31 -20.492 7.581 -10.696
204 HD21 LEU 31 HD21 LEU 31 -18.735 8.625 -9.038
205 HD22 LEU 31 HD22 LEU 31 -19.150 7.323 -7.919
206 HD23 LEU 31 HD23 LEU 31 -19.269 8.999 -7.394
207 H ILE 32 H ILE 32 -20.694 10.758 -5.712
208 HA ILE 32 HA ILE 32 -18.101 12.118 -6.245
209 HB ILE 32 HB ILE 32 -18.150 12.861 -3.834
210 HG12 ILE 32 HG12 ILE 32 -21.036 11.841 -3.896
211 HG13 ILE 32 HG13 ILE 32 -19.728 11.216 -2.900
212 HG21 ILE 32 HG21 ILE 32 -20.469 13.891 -5.514
213 HG22 ILE 32 HG22 ILE 32 -18.788 14.412 -5.638
214 HG23 ILE 32 HG23 ILE 32 -19.704 14.747 -4.169
215 HD11 ILE 32 HD11 ILE 32 -20.993 13.945 -2.650
216 HD12 ILE 32 HD12 ILE 32 -19.647 13.341 -1.679
217 HD13 ILE 32 HD13 ILE 32 -21.222 12.561 -1.581
218 H VAL 33 H VAL 33 -16.271 11.141 -5.412
219 HA VAL 33 HA VAL 33 -16.445 8.284 -5.002
220 HB VAL 33 HB VAL 33 -13.974 8.292 -5.093
221 HG11 VAL 33 HG11 VAL 33 -13.716 9.068 -7.423
222 HG12 VAL 33 HG12 VAL 33 -15.239 9.956 -7.310
223 HG13 VAL 33 HG13 VAL 33 -15.233 8.194 -7.198
224 HG21 VAL 33 HG21 VAL 33 -14.157 11.332 -5.293
225 HG22 VAL 33 HG22 VAL 33 -12.690 10.368 -5.494
226 HG23 VAL 33 HG23 VAL 33 -13.504 10.419 -3.929
227 H ASP 34 H ASP 34 -15.963 11.058 -2.998
228 HA ASP 34 HA ASP 34 -16.016 9.356 -0.608
229 HB2 ASP 34 HB2 ASP 34 -13.649 9.900 -0.830
230 HB3 ASP 34 HB3 ASP 34 -14.015 11.609 -1.073
231 HA PRO 35 HA PRO 35 -18.955 12.740 0.305
232 HB2 PRO 35 HB2 PRO 35 -20.724 11.287 1.761
233 HB3 PRO 35 HB3 PRO 35 -20.645 11.141 -0.007
234 HG2 PRO 35 HG2 PRO 35 -19.598 9.278 2.083
235 HG3 PRO 35 HG3 PRO 35 -20.323 8.911 0.502
236 HD2 PRO 35 HD2 PRO 35 -17.553 8.996 1.063
237 HD3 PRO 35 HD3 PRO 35 -18.288 8.990 -0.553
238 H LEU 36 H LEU 36 -16.785 10.967 2.347
239 HA LEU 36 HA LEU 36 -17.021 12.891 4.497
240 HB2 LEU 36 HB2 LEU 36 -17.208 10.702 6.147
241 HB3 LEU 36 HB3 LEU 36 -18.540 11.744 5.701
242 HG LEU 36 HG LEU 36 -19.153 10.104 3.874
243 HD11 LEU 36 HD11 LEU 36 -18.314 7.803 3.944
244 HD12 LEU 36 HD12 LEU 36 -17.114 8.274 5.154
245 HD13 LEU 36 HD13 LEU 36 -17.042 8.954 3.527
246 HD21 LEU 36 HD21 LEU 36 -20.312 10.148 6.011
247 HD22 LEU 36 HD22 LEU 36 -19.151 9.000 6.685
248 HD23 LEU 36 HD23 LEU 36 -20.224 8.510 5.369
249 H MET 37 H MET 37 -15.698 9.668 5.118
250 HA MET 37 HA MET 37 -12.986 10.553 4.460
251 HB2 MET 37 HB2 MET 37 -13.286 11.079 6.875
252 HB3 MET 37 HB3 MET 37 -13.772 9.420 7.190
253 HG2 MET 37 HG2 MET 37 -11.459 9.772 7.891
254 HG3 MET 37 HG3 MET 37 -11.507 8.638 6.545
255 HE1 MET 37 HE1 MET 37 -10.724 12.344 7.637
256 HE2 MET 37 HE2 MET 37 -11.857 12.604 6.310
257 HE3 MET 37 HE3 MET 37 -10.163 13.052 6.124
258 H LYS 38 H LYS 38 -13.260 9.136 2.732
259 HA LYS 38 HA LYS 38 -12.892 6.254 3.348
260 HB2 LYS 38 HB2 LYS 38 -13.597 7.561 0.663
261 HB3 LYS 38 HB3 LYS 38 -13.433 5.830 0.966
262 HG2 LYS 38 HG2 LYS 38 -15.431 5.863 2.398
263 HG3 LYS 38 HG3 LYS 38 -15.555 7.617 2.208
264 HD2 LYS 38 HD2 LYS 38 -17.154 6.533 0.727
265 HD3 LYS 38 HD3 LYS 38 -15.902 7.317 -0.239
266 HE2 LYS 38 HE2 LYS 38 -16.411 5.135 -1.182
267 HE3 LYS 38 HE3 LYS 38 -14.782 5.091 -0.502
268 HZ1 LYS 38 HZ1 LYS 38 -15.658 3.978 1.451
269 HZ2 LYS 38 HZ2 LYS 38 -16.079 3.117 0.060
270 HZ3 LYS 38 HZ3 LYS 38 -17.233 4.072 0.845
271 H TYR 39 H TYR 39 -10.714 5.868 3.459
272 HA TYR 39 HA TYR 39 -8.695 7.574 2.512
273 HB2 TYR 39 HB2 TYR 39 -8.598 4.608 3.191
274 HB3 TYR 39 HB3 TYR 39 -7.167 5.583 2.884
275 HD1 TYR 39 HD2 TYR 39 -6.746 7.621 4.426
276 HD2 TYR 39 HD1 TYR 39 -9.527 4.519 5.405
277 HE1 TYR 39 HE2 TYR 39 -6.665 8.286 6.792
278 HE2 TYR 39 HE1 TYR 39 -9.448 5.194 7.763
279 HH TYR 39 HH TYR 39 -7.910 6.372 9.282
280 H ILE 40 H ILE 40 -8.710 8.131 0.406
281 HA ILE 40 HA ILE 40 -9.463 6.401 -1.734
282 HB ILE 40 HB ILE 40 -8.216 9.185 -1.750
283 HG12 ILE 40 HG12 ILE 40 -11.106 8.278 -2.199
284 HG13 ILE 40 HG13 ILE 40 -10.492 9.108 -0.774
285 HG21 ILE 40 HG21 ILE 40 -7.662 8.049 -3.860
286 HG22 ILE 40 HG22 ILE 40 -8.821 9.348 -4.134
287 HG23 ILE 40 HG23 ILE 40 -9.368 7.671 -4.123
288 HD11 ILE 40 HD11 ILE 40 -11.709 10.642 -2.183
289 HD12 ILE 40 HD12 ILE 40 -10.679 10.265 -3.562
290 HD13 ILE 40 HD13 ILE 40 -10.006 11.091 -2.153
291 H CYS 41 H CYS 41 -8.246 4.878 -2.575
292 HA CYS 41 HA CYS 41 -5.461 4.531 -2.224
293 HB2 CYS 41 HB2 CYS 41 -7.103 2.699 -2.652
294 HB3 CYS 41 HB3 CYS 41 -7.333 3.295 -4.290
295 H HIS 42 H HIS 42 -3.848 5.558 -3.302
296 HA HIS 42 HA HIS 42 -4.414 7.642 -5.177
297 HB2 HIS 42 HB2 HIS 42 -1.797 6.486 -4.149
298 HB3 HIS 42 HB3 HIS 42 -1.841 7.822 -5.290
299 HD1 HIS 42 HD1 HIS 42 -1.899 10.081 -4.293
300 HD2 HIS 42 HD2 HIS 42 -3.135 7.192 -1.579
301 HE1 HIS 42 HE1 HIS 42 -2.168 11.279 -2.107
302 HE2 HIS 42 HE2 HIS 42 -3.131 9.561 -0.563
303 H ILE 43 H ILE 43 -4.181 4.357 -5.771
304 HA ILE 43 HA ILE 43 -3.356 4.732 -8.593
305 HB ILE 43 HB ILE 43 -3.210 2.255 -6.809
306 HG12 ILE 43 HG12 ILE 43 -1.066 3.887 -8.255
307 HG13 ILE 43 HG13 ILE 43 -1.385 3.896 -6.527
308 HG21 ILE 43 HG21 ILE 43 -2.633 2.362 -9.799
309 HG22 ILE 43 HG22 ILE 43 -3.972 1.503 -9.033
310 HG23 ILE 43 HG23 ILE 43 -2.312 0.988 -8.738
311 HD11 ILE 43 HD11 ILE 43 -0.673 1.548 -6.408
312 HD12 ILE 43 HD12 ILE 43 0.583 2.634 -6.994
313 HD13 ILE 43 HD13 ILE 43 -0.280 1.597 -8.131
314 H CYS 44 H CYS 44 -5.841 3.090 -6.521
315 HA CYS 44 HA CYS 44 -7.380 2.462 -9.003
316 HB2 CYS 44 HB2 CYS 44 -8.425 0.579 -7.723
317 HB3 CYS 44 HB3 CYS 44 -6.672 0.424 -7.836
318 H ASN 45 H ASN 45 -7.378 4.541 -6.455
319 HA ASN 45 HA ASN 45 -8.669 6.243 -5.841
320 HB2 ASN 45 HB2 ASN 45 -9.497 6.415 -8.156
321 HB3 ASN 45 HB3 ASN 45 -10.747 5.225 -7.815
322 HD21 ASN 45 HD21 ASN 45 -9.664 8.499 -7.166
323 HD22 ASN 45 HD22 ASN 45 -11.191 9.095 -6.616
324 H ARG 46 H ARG 46 -10.726 3.338 -6.137
325 HA ARG 46 HA ARG 46 -12.548 4.040 -4.118
326 HB2 ARG 46 HB2 ARG 46 -11.828 1.338 -5.325
327 HB3 ARG 46 HB3 ARG 46 -13.164 1.566 -4.193
328 HG2 ARG 46 HG2 ARG 46 -14.213 3.177 -5.772
329 HG3 ARG 46 HG3 ARG 46 -12.898 2.898 -6.917
330 HD2 ARG 46 HD2 ARG 46 -13.559 0.585 -7.208
331 HD3 ARG 46 HD3 ARG 46 -14.756 0.711 -5.911
332 HE ARG 46 HE ARG 46 -15.376 2.651 -7.826
333 HH11 ARG 46 HH11 ARG 46 -15.335 -0.866 -7.631
334 HH12 ARG 46 HH12 ARG 46 -16.600 -1.066 -8.800
335 HH21 ARG 46 HH21 ARG 46 -17.033 2.370 -9.356
336 HH22 ARG 46 HH22 ARG 46 -17.559 0.770 -9.776
337 H GLY 47 H GLY 47 -12.625 3.723 -1.962
338 HA2 GLY 47 HA2 GLY 47 -10.316 2.427 -0.575
339 HA3 GLY 47 HA3 GLY 47 -11.221 3.804 0.056
340 H ASP 48 H ASP 48 -12.645 1.118 -1.614
341 HA ASP 48 HA ASP 48 -14.490 0.639 0.602
342 HB2 ASP 48 HB2 ASP 48 -14.512 -0.387 -2.270
343 HB3 ASP 48 HB3 ASP 48 -15.788 -0.660 -1.084
344 H VAL 49 H VAL 49 -11.880 -0.935 -1.116
345 HA VAL 49 HA VAL 49 -12.103 -3.401 0.418
346 HB VAL 49 HB VAL 49 -9.737 -2.475 -1.287
347 HG11 VAL 49 HG11 VAL 49 -9.207 -4.319 0.256
348 HG12 VAL 49 HG12 VAL 49 -9.184 -4.886 -1.413
349 HG13 VAL 49 HG13 VAL 49 -10.562 -5.263 -0.373
350 HG21 VAL 49 HG21 VAL 49 -11.770 -2.496 -2.683
351 HG22 VAL 49 HG22 VAL 49 -12.112 -4.154 -2.183
352 HG23 VAL 49 HG23 VAL 49 -10.675 -3.803 -3.148
353 H GLU 50 H GLU 50 -12.276 -1.865 2.313
354 HA GLU 50 HA GLU 50 -9.983 -0.441 3.265
355 HB2 GLU 50 HB2 GLU 50 -11.384 -0.050 5.288
356 HB3 GLU 50 HB3 GLU 50 -12.188 0.382 3.784
357 HG2 GLU 50 HG2 GLU 50 -13.413 -1.813 3.874
358 HG3 GLU 50 HG3 GLU 50 -12.687 -2.101 5.456
359 H GLU 51 H GLU 51 -11.155 -3.673 3.611
360 HA GLU 51 HA GLU 51 -9.743 -4.667 5.782
361 HB2 GLU 51 HB2 GLU 51 -11.449 -5.884 4.410
362 HB3 GLU 51 HB3 GLU 51 -10.296 -5.995 3.090
363 HG2 GLU 51 HG2 GLU 51 -10.329 -8.124 4.147
364 HG3 GLU 51 HG3 GLU 51 -8.809 -7.366 4.609
365 H SER 52 H SER 52 -8.614 -3.876 2.513
366 HA SER 52 HA SER 52 -5.841 -4.753 3.124
367 HB2 SER 52 HB2 SER 52 -6.900 -5.724 1.079
368 HB3 SER 52 HB3 SER 52 -7.120 -4.100 0.427
369 HG SER 52 HG SER 52 -4.544 -4.563 1.191
370 H MET 53 H MET 53 -7.470 -2.053 3.639
371 HA MET 53 HA MET 53 -6.196 -0.019 2.114
372 HB2 MET 53 HB2 MET 53 -8.423 0.099 3.416
373 HB3 MET 53 HB3 MET 53 -7.462 0.375 4.856
374 HG2 MET 53 HG2 MET 53 -8.019 2.537 4.249
375 HG3 MET 53 HG3 MET 53 -6.466 2.367 3.434
376 HE1 MET 53 HE1 MET 53 -6.537 1.407 0.613
377 HE2 MET 53 HE2 MET 53 -6.168 3.080 1.039
378 HE3 MET 53 HE3 MET 53 -7.308 2.734 -0.262
379 H LEU 54 H LEU 54 -4.020 0.039 2.228
380 HA LEU 54 HA LEU 54 -2.526 -0.009 4.738
381 HB2 LEU 54 HB2 LEU 54 -1.554 0.228 1.851
382 HB3 LEU 54 HB3 LEU 54 -0.535 0.001 3.263
383 HG LEU 54 HG LEU 54 -2.477 -2.029 2.096
384 HD11 LEU 54 HD11 LEU 54 -0.429 -3.335 1.635
385 HD12 LEU 54 HD12 LEU 54 0.557 -1.991 2.226
386 HD13 LEU 54 HD13 LEU 54 -0.446 -1.791 0.785
387 HD21 LEU 54 HD21 LEU 54 -2.491 -2.225 4.521
388 HD22 LEU 54 HD22 LEU 54 -0.726 -2.271 4.562
389 HD23 LEU 54 HD23 LEU 54 -1.633 -3.588 3.810
390 H LEU 55 H LEU 55 -2.028 1.867 5.756
391 HA LEU 55 HA LEU 55 -2.292 4.450 4.307
392 HB2 LEU 55 HB2 LEU 55 -3.931 3.826 6.224
393 HB3 LEU 55 HB3 LEU 55 -2.578 3.968 7.319
394 HG LEU 55 HG LEU 55 -4.177 5.963 7.223
395 HD11 LEU 55 HD11 LEU 55 -1.300 6.647 6.611
396 HD12 LEU 55 HD12 LEU 55 -1.949 6.215 8.194
397 HD13 LEU 55 HD13 LEU 55 -2.498 7.687 7.394
398 HD21 LEU 55 HD21 LEU 55 -3.981 7.546 5.380
399 HD22 LEU 55 HD22 LEU 55 -4.554 5.980 4.808
400 HD23 LEU 55 HD23 LEU 55 -2.875 6.457 4.535
401 H CYS 56 H CYS 56 -0.318 5.301 3.871
402 HA CYS 56 HA CYS 56 2.123 4.635 5.245
403 HB2 CYS 56 HB2 CYS 56 2.067 5.258 2.837
404 HB3 CYS 56 HB3 CYS 56 1.508 6.870 3.247
405 H ASP 57 H ASP 57 1.485 5.116 7.403
406 HA ASP 57 HA ASP 57 0.544 7.581 8.350
407 HB2 ASP 57 HB2 ASP 57 0.388 5.542 9.709
408 HB3 ASP 57 HB3 ASP 57 2.145 5.461 9.833
409 H GLY 58 H GLY 58 1.586 9.382 7.826
410 HA2 GLY 58 HA2 GLY 58 3.651 10.636 8.874
411 HA3 GLY 58 HA3 GLY 58 4.493 9.600 7.721
412 H CYS 59 H CYS 59 2.247 9.615 5.848
413 HA CYS 59 HA CYS 59 2.099 12.379 4.832
414 HB2 CYS 59 HB2 CYS 59 2.941 11.418 2.544
415 HB3 CYS 59 HB3 CYS 59 4.138 11.755 3.816
416 H ASP 60 H ASP 60 0.431 9.735 5.592
417 HA ASP 60 HA ASP 60 -1.686 9.039 5.289
418 HB2 ASP 60 HB2 ASP 60 -2.041 11.662 3.753
419 HB3 ASP 60 HB3 ASP 60 -3.367 10.645 4.306
420 H ASP 61 H ASP 61 0.351 8.519 2.962
421 HA ASP 61 HA ASP 61 -1.157 8.425 0.555
422 HB2 ASP 61 HB2 ASP 61 1.304 6.776 1.219
423 HB3 ASP 61 HB3 ASP 61 0.621 7.029 -0.376
424 H SER 62 H SER 62 -3.064 7.372 0.675
425 HA SER 62 HA SER 62 -3.351 4.770 1.912
426 HB2 SER 62 HB2 SER 62 -5.359 6.403 0.297
427 HB3 SER 62 HB3 SER 62 -5.722 5.040 1.360
428 HG SER 62 HG SER 62 -4.292 7.072 2.566
429 H TYR 63 H TYR 63 -3.097 2.907 0.879
430 HA TYR 63 HA TYR 63 -3.561 2.600 -2.007
431 HB2 TYR 63 HB2 TYR 63 -1.013 1.753 -0.538
432 HB3 TYR 63 HB3 TYR 63 -1.471 1.140 -2.118
433 HD1 TYR 63 HD2 TYR 63 -1.457 2.670 -4.113
434 HD2 TYR 63 HD1 TYR 63 0.028 3.942 -0.312
435 HE1 TYR 63 HE2 TYR 63 -0.249 4.514 -5.196
436 HE2 TYR 63 HE1 TYR 63 1.243 5.773 -1.403
437 HH TYR 63 HH TYR 63 2.138 6.352 -3.611
438 H HIS 64 H HIS 64 -3.559 0.186 -2.514
439 HA HIS 64 HA HIS 64 -4.224 -1.538 -0.177
440 HB2 HIS 64 HB2 HIS 64 -4.884 -1.978 -3.120
441 HB3 HIS 64 HB3 HIS 64 -5.313 -3.060 -1.804
442 HD2 HIS 64 HD2 HIS 64 -7.022 -1.715 0.169
443 HE1 HIS 64 HE1 HIS 64 -8.778 0.609 -2.855
444 HE2 HIS 64 HE2 HIS 64 -8.906 -0.047 -0.422
445 H THR 65 H THR 65 -3.482 -3.805 -0.430
446 HA THR 65 HA THR 65 -0.712 -4.037 -0.673
447 HB THR 65 HB THR 65 -1.138 -6.530 -0.622
448 HG1 THR 65 HG1 THR 65 -3.850 -6.245 -0.188
449 HG21 THR 65 HG21 THR 65 -2.755 -4.945 1.402
450 HG22 THR 65 HG22 THR 65 -1.023 -5.274 1.500
451 HG23 THR 65 HG23 THR 65 -2.179 -6.603 1.607
452 H PHE 66 H PHE 66 -3.274 -4.938 -2.920
453 HA PHE 66 HA PHE 66 -1.523 -6.007 -4.949
454 HB2 PHE 66 HB2 PHE 66 -3.702 -6.348 -6.209
455 HB3 PHE 66 HB3 PHE 66 -3.633 -7.127 -4.639
456 HD1 PHE 66 HD2 PHE 66 -5.252 -4.432 -6.603
457 HD2 PHE 66 HD1 PHE 66 -5.102 -6.393 -2.800
458 HE1 PHE 66 HE2 PHE 66 -7.383 -3.376 -5.963
459 HE2 PHE 66 HE1 PHE 66 -7.234 -5.338 -2.180
460 HZ PHE 66 HZ PHE 66 -8.374 -3.829 -3.753
461 H CYS 67 H CYS 67 -2.269 -2.800 -4.210
462 HA CYS 67 HA CYS 67 -2.863 -1.829 -6.859
463 HB2 CYS 67 HB2 CYS 67 -2.316 -0.403 -4.228
464 HB3 CYS 67 HB3 CYS 67 -2.617 0.472 -5.735
465 H LEU 68 H LEU 68 -0.003 -1.593 -4.702
466 HA LEU 68 HA LEU 68 1.504 0.032 -6.514
467 HB2 LEU 68 HB2 LEU 68 2.647 -1.567 -4.194
468 HB3 LEU 68 HB3 LEU 68 3.411 -0.231 -5.033
469 HG LEU 68 HG LEU 68 1.201 1.083 -4.161
470 HD11 LEU 68 HD11 LEU 68 0.174 -0.839 -3.095
471 HD12 LEU 68 HD12 LEU 68 0.591 0.382 -1.895
472 HD13 LEU 68 HD13 LEU 68 1.591 -1.062 -2.064
473 HD21 LEU 68 HD21 LEU 68 2.510 1.937 -2.272
474 HD22 LEU 68 HD22 LEU 68 3.502 1.795 -3.722
475 HD23 LEU 68 HD23 LEU 68 3.651 0.596 -2.435
476 H LEU 69 H LEU 69 3.801 -0.575 -7.110
477 HA LEU 69 HA LEU 69 4.137 -3.371 -7.984
478 HB2 LEU 69 HB2 LEU 69 3.643 -1.997 -9.958
479 HB3 LEU 69 HB3 LEU 69 4.879 -0.836 -9.504
480 HG LEU 69 HG LEU 69 6.632 -2.596 -9.891
481 HD11 LEU 69 HD11 LEU 69 4.337 -4.288 -10.917
482 HD12 LEU 69 HD12 LEU 69 5.323 -4.601 -9.487
483 HD13 LEU 69 HD13 LEU 69 6.054 -4.666 -11.086
484 HD21 LEU 69 HD21 LEU 69 4.842 -2.042 -12.283
485 HD22 LEU 69 HD22 LEU 69 6.531 -2.552 -12.357
486 HD23 LEU 69 HD23 LEU 69 6.117 -0.989 -11.661
487 HA PRO 70 HA PRO 70 5.509 -5.039 -7.594
488 HB2 PRO 70 HB2 PRO 70 6.674 -5.990 -5.037
489 HB3 PRO 70 HB3 PRO 70 7.087 -6.464 -6.696
490 HG2 PRO 70 HG2 PRO 70 8.778 -5.016 -5.162
491 HG3 PRO 70 HG3 PRO 70 8.691 -4.812 -6.929
492 HD2 PRO 70 HD2 PRO 70 7.404 -3.121 -4.776
493 HD3 PRO 70 HD3 PRO 70 8.315 -2.607 -6.218
494 HA PRO 71 HA PRO 71 1.799 -4.743 -4.970
495 HB2 PRO 71 HB2 PRO 71 0.435 -6.922 -5.972
496 HB3 PRO 71 HB3 PRO 71 0.569 -5.383 -6.848
497 HG2 PRO 71 HG2 PRO 71 2.143 -7.909 -7.231
498 HG3 PRO 71 HG3 PRO 71 1.455 -6.818 -8.456
499 HD2 PRO 71 HD2 PRO 71 4.091 -6.765 -7.749
500 HD3 PRO 71 HD3 PRO 71 3.223 -5.316 -8.304
501 H LEU 72 H LEU 72 1.773 -5.338 -2.899
502 HA LEU 72 HA LEU 72 3.358 -7.438 -1.822
503 HB2 LEU 72 HB2 LEU 72 1.251 -5.735 -0.422
504 HB3 LEU 72 HB3 LEU 72 2.540 -6.645 0.356
505 HG LEU 72 HG LEU 72 2.917 -4.205 -1.431
506 HD11 LEU 72 HD11 LEU 72 3.208 -4.484 1.576
507 HD12 LEU 72 HD12 LEU 72 1.940 -3.608 0.716
508 HD13 LEU 72 HD13 LEU 72 3.605 -3.046 0.626
509 HD21 LEU 72 HD21 LEU 72 5.290 -4.290 -0.751
510 HD22 LEU 72 HD22 LEU 72 4.819 -5.717 -1.668
511 HD23 LEU 72 HD23 LEU 72 4.997 -5.819 0.085
512 H THR 73 H THR 73 2.505 -9.390 -2.703
513 HA THR 73 HA THR 73 -0.210 -10.233 -2.293
514 HB THR 73 HB THR 73 0.639 -12.521 -2.901
515 HG1 THR 73 HG1 THR 73 2.679 -12.854 -2.508
516 HG21 THR 73 HG21 THR 73 1.603 -10.311 -4.766
517 HG22 THR 73 HG22 THR 73 -0.033 -10.971 -4.714
518 HG23 THR 73 HG23 THR 73 1.311 -11.994 -5.223
519 H SER 74 H SER 74 2.857 -10.694 -0.591
520 HA SER 74 HA SER 74 1.627 -11.941 1.729
521 HB2 SER 74 HB2 SER 74 3.955 -11.621 2.713
522 HB3 SER 74 HB3 SER 74 3.888 -12.612 1.261
523 HG SER 74 HG SER 74 4.657 -9.893 1.447
524 H ILE 75 H ILE 75 0.735 -10.857 3.320
525 HA ILE 75 HA ILE 75 0.229 -8.130 3.413
526 HB ILE 75 HB ILE 75 0.144 -10.164 5.686
527 HG12 ILE 75 HG12 ILE 75 -1.254 -10.817 3.757
528 HG13 ILE 75 HG13 ILE 75 -2.273 -10.376 5.123
529 HG21 ILE 75 HG21 ILE 75 0.112 -7.914 6.651
530 HG22 ILE 75 HG22 ILE 75 -1.480 -8.652 6.810
531 HG23 ILE 75 HG23 ILE 75 -1.195 -7.431 5.567
532 HD11 ILE 75 HD11 ILE 75 -2.683 -8.183 4.075
533 HD12 ILE 75 HD12 ILE 75 -3.190 -9.537 3.068
534 HD13 ILE 75 HD13 ILE 75 -1.696 -8.681 2.698
535 HA PRO 76 HA PRO 76 4.133 -6.502 5.078
536 HB2 PRO 76 HB2 PRO 76 3.265 -3.943 5.681
537 HB3 PRO 76 HB3 PRO 76 3.617 -4.481 4.024
538 HG2 PRO 76 HG2 PRO 76 0.953 -4.320 5.415
539 HG3 PRO 76 HG3 PRO 76 1.405 -3.764 3.784
540 HD2 PRO 76 HD2 PRO 76 0.135 -6.112 4.134
541 HD3 PRO 76 HD3 PRO 76 1.392 -5.933 2.888
542 H LYS 77 H LYS 77 4.647 -4.998 7.131
543 HA LYS 77 HA LYS 77 4.049 -6.764 9.355
544 HB2 LYS 77 HB2 LYS 77 5.945 -4.385 9.140
545 HB3 LYS 77 HB3 LYS 77 5.929 -5.572 10.445
546 HG2 LYS 77 HG2 LYS 77 6.599 -7.343 8.893
547 HG3 LYS 77 HG3 LYS 77 6.531 -6.209 7.535
548 HD2 LYS 77 HD2 LYS 77 8.367 -4.886 8.531
549 HD3 LYS 77 HD3 LYS 77 8.415 -5.976 9.923
550 HE2 LYS 77 HE2 LYS 77 9.009 -6.767 7.046
551 HE3 LYS 77 HE3 LYS 77 10.213 -6.478 8.303
552 HZ1 LYS 77 HZ1 LYS 77 9.310 -8.323 9.561
553 HZ2 LYS 77 HZ2 LYS 77 9.756 -8.831 8.014
554 HZ3 LYS 77 HZ3 LYS 77 8.130 -8.591 8.385
555 H GLY 78 H GLY 78 1.764 -5.136 8.702
556 HA2 GLY 78 HA2 GLY 78 0.154 -3.856 9.707
557 HA3 GLY 78 HA3 GLY 78 1.137 -3.830 11.167
558 H GLU 79 H GLU 79 2.941 -2.319 11.229
559 HA GLU 79 HA GLU 79 2.404 0.307 10.276
560 HB2 GLU 79 HB2 GLU 79 3.611 -0.175 12.407
561 HB3 GLU 79 HB3 GLU 79 4.955 -0.862 11.496
562 HG2 GLU 79 HG2 GLU 79 5.354 1.360 10.452
563 HG3 GLU 79 HG3 GLU 79 4.037 2.034 11.414
564 H TRP 80 H TRP 80 2.413 0.550 8.120
565 HA TRP 80 HA TRP 80 4.671 -0.389 6.455
566 HB2 TRP 80 HB2 TRP 80 2.677 -1.685 5.909
567 HB3 TRP 80 HB3 TRP 80 1.676 -0.242 5.846
568 HD1 TRP 80 HD1 TRP 80 4.274 -2.183 3.774
569 HE1 TRP 80 HE1 TRP 80 4.132 -1.384 1.337
570 HE3 TRP 80 HE3 TRP 80 1.121 1.790 4.402
571 HZ2 TRP 80 HZ2 TRP 80 2.872 0.655 -0.130
572 HZ3 TRP 80 HZ3 TRP 80 0.500 3.135 2.421
573 HH2 TRP 80 HH2 TRP 80 1.367 2.573 0.202
574 H LEU 81 H LEU 81 5.637 1.155 5.275
575 HA LEU 81 HA LEU 81 4.239 3.710 4.711
576 HB2 LEU 81 HB2 LEU 81 7.212 3.218 5.181
577 HB3 LEU 81 HB3 LEU 81 6.576 4.716 4.514
578 HG LEU 81 HG LEU 81 6.024 3.623 7.307
579 HD11 LEU 81 HD11 LEU 81 7.625 6.048 6.437
580 HD12 LEU 81 HD12 LEU 81 8.278 4.540 7.083
581 HD13 LEU 81 HD13 LEU 81 7.276 5.568 8.103
582 HD21 LEU 81 HD21 LEU 81 4.050 4.780 6.448
583 HD22 LEU 81 HD22 LEU 81 5.028 6.190 6.031
584 HD23 LEU 81 HD23 LEU 81 4.820 5.719 7.721
585 H CYS 82 H CYS 82 4.326 4.440 2.616
586 HA CYS 82 HA CYS 82 4.755 2.666 0.479
587 HB2 CYS 82 HB2 CYS 82 4.549 4.781 -0.927
588 HB3 CYS 82 HB3 CYS 82 3.222 4.502 0.198
589 HA PRO 83 HA PRO 83 9.157 2.283 -0.047
590 HB2 PRO 83 HB2 PRO 83 8.618 3.085 -2.925
591 HB3 PRO 83 HB3 PRO 83 9.609 1.746 -2.292
592 HG2 PRO 83 HG2 PRO 83 7.181 1.231 -3.206
593 HG3 PRO 83 HG3 PRO 83 7.751 0.448 -1.714
594 HD2 PRO 83 HD2 PRO 83 5.770 2.679 -2.025
595 HD3 PRO 83 HD3 PRO 83 5.837 1.383 -0.808
596 H ARG 84 H ARG 84 7.757 5.191 -1.480
597 HA ARG 84 HA ARG 84 10.194 6.649 -1.833
598 HB2 ARG 84 HB2 ARG 84 8.089 7.038 -3.133
599 HB3 ARG 84 HB3 ARG 84 7.323 7.663 -1.679
600 HG2 ARG 84 HG2 ARG 84 8.867 9.566 -1.640
601 HG3 ARG 84 HG3 ARG 84 9.749 8.912 -3.023
602 HD2 ARG 84 HD2 ARG 84 7.712 9.156 -4.424
603 HD3 ARG 84 HD3 ARG 84 6.847 9.828 -3.036
604 HE ARG 84 HE ARG 84 9.154 11.365 -3.460
605 HH11 ARG 84 HH11 ARG 84 6.094 10.712 -5.090
606 HH12 ARG 84 HH12 ARG 84 6.054 12.255 -5.882
607 HH21 ARG 84 HH21 ARG 84 9.086 13.372 -4.511
608 HH22 ARG 84 HH22 ARG 84 7.753 13.765 -5.551
609 H CYS 85 H CYS 85 7.733 6.511 0.728
610 HA CYS 85 HA CYS 85 8.918 8.627 2.303
611 HB2 CYS 85 HB2 CYS 85 6.665 6.695 2.918
612 HB3 CYS 85 HB3 CYS 85 7.052 8.169 3.823
613 H VAL 86 H VAL 86 9.141 5.103 2.172
614 HA VAL 86 HA VAL 86 10.424 4.598 4.613
615 HB VAL 86 HB VAL 86 10.988 3.304 1.903
616 HG11 VAL 86 HG11 VAL 86 11.865 1.373 3.191
617 HG12 VAL 86 HG12 VAL 86 11.653 2.281 4.691
618 HG13 VAL 86 HG13 VAL 86 12.812 2.833 3.482
619 HG21 VAL 86 HG21 VAL 86 9.422 1.517 2.647
620 HG22 VAL 86 HG22 VAL 86 8.620 3.085 2.541
621 HG23 VAL 86 HG23 VAL 86 9.079 2.439 4.116
622 H VAL 87 H VAL 87 11.781 5.653 1.482
623 HA VAL 87 HA VAL 87 14.348 6.410 2.669
624 HB VAL 87 HB VAL 87 13.318 6.965 -0.136
625 HG11 VAL 87 HG11 VAL 87 15.707 7.237 -0.755
626 HG12 VAL 87 HG12 VAL 87 16.168 6.990 0.932
627 HG13 VAL 87 HG13 VAL 87 15.213 8.402 0.476
628 HG21 VAL 87 HG21 VAL 87 14.614 4.976 -0.884
629 HG22 VAL 87 HG22 VAL 87 13.308 4.543 0.219
630 HG23 VAL 87 HG23 VAL 87 14.972 4.591 0.805
631 H GLU 88 H GLU 88 13.038 7.676 4.198
632 HA GLU 88 HA GLU 88 11.516 9.943 3.484
633 HB2 GLU 88 HB2 GLU 88 11.569 10.510 5.921
634 HB3 GLU 88 HB3 GLU 88 11.092 8.844 5.608
635 HG2 GLU 88 HG2 GLU 88 13.290 8.025 6.258
636 HG3 GLU 88 HG3 GLU 88 13.902 9.670 6.409
637 H GLU 89 H GLU 89 14.858 9.550 4.417
638 HA GLU 89 HA GLU 89 16.621 10.865 4.725
639 HB2 GLU 89 HB2 GLU 89 15.321 12.618 2.604
640 HB3 GLU 89 HB3 GLU 89 17.001 12.736 3.124
641 HG2 GLU 89 HG2 GLU 89 15.685 10.429 1.651
642 HG3 GLU 89 HG3 GLU 89 16.922 11.524 1.038
643 H VAL 90 H VAL 90 14.136 13.439 4.275
644 HA VAL 90 HA VAL 90 13.475 15.193 5.485
645 HB VAL 90 HB VAL 90 14.059 13.427 7.918
646 HG11 VAL 90 HG11 VAL 90 13.778 15.787 8.577
647 HG12 VAL 90 HG12 VAL 90 12.394 14.831 9.113
648 HG13 VAL 90 HG13 VAL 90 12.252 15.867 7.690
649 HG21 VAL 90 HG21 VAL 90 12.516 12.337 6.326
650 HG22 VAL 90 HG22 VAL 90 11.480 13.767 6.333
651 HG23 VAL 90 HG23 VAL 90 11.661 12.803 7.802
652 H SER 91 H SER 91 15.162 16.479 4.750
653 HA SER 91 HA SER 91 17.056 17.422 6.760
654 HB2 SER 91 HB2 SER 91 18.252 15.580 5.535
655 HB3 SER 91 HB3 SER 91 17.997 16.436 4.016
656 HG SER 91 HG SER 91 19.428 17.393 6.271
657 H LYS 92 H LYS 92 16.079 19.361 6.796
658 HA LYS 92 HA LYS 92 15.943 21.051 4.409
659 HB2 LYS 92 HB2 LYS 92 13.783 19.797 4.427
660 HB3 LYS 92 HB3 LYS 92 13.497 20.298 6.090
661 HG2 LYS 92 HG2 LYS 92 13.475 22.716 5.223
662 HG3 LYS 92 HG3 LYS 92 13.469 22.034 3.594
663 HD2 LYS 92 HD2 LYS 92 11.182 22.531 4.181
664 HD3 LYS 92 HD3 LYS 92 11.366 20.776 4.201
665 HE2 LYS 92 HE2 LYS 92 10.058 21.425 6.126
666 HE3 LYS 92 HE3 LYS 92 11.637 20.906 6.713
667 HZ1 LYS 92 HZ1 LYS 92 12.280 23.231 6.890
668 HZ2 LYS 92 HZ2 LYS 92 10.885 22.934 7.796
669 HZ3 LYS 92 HZ3 LYS 92 10.772 23.721 6.305
670 HA PRO 93 HA PRO 93 16.629 24.259 7.690
671 HB2 PRO 93 HB2 PRO 93 15.426 26.078 5.609
672 HB3 PRO 93 HB3 PRO 93 16.966 26.232 6.481
673 HG2 PRO 93 HG2 PRO 93 16.924 25.542 3.900
674 HG3 PRO 93 HG3 PRO 93 18.106 24.822 5.017
675 HD2 PRO 93 HD2 PRO 93 15.561 23.626 3.932
676 HD3 PRO 93 HD3 PRO 93 17.146 22.860 4.192
677 H GLN 94 H GLN 94 15.136 24.152 9.284
678 HA GLN 94 HA GLN 94 12.442 23.425 8.844
679 HB2 GLN 94 HB2 GLN 94 13.723 24.386 11.431
680 HB3 GLN 94 HB3 GLN 94 12.172 23.565 11.300
681 HG2 GLN 94 HG2 GLN 94 14.872 22.362 10.595
682 HG3 GLN 94 HG3 GLN 94 13.978 22.074 12.082
683 HE21 GLN 94 HE21 GLN 94 13.891 19.860 11.768
684 HE22 GLN 94 HE22 GLN 94 12.910 19.105 10.563
Start of MODEL 4
1 H1 SER 1 H1 SER 1 -13.929 2.493 27.066
2 H2 SER 1 H2 SER 1 -14.041 1.641 28.520
3 H3 SER 1 H3 SER 1 -12.575 1.714 27.685
4 HA SER 1 HA SER 1 -13.962 4.042 28.838
5 HB2 SER 1 HB2 SER 1 -13.109 2.531 30.620
6 HB3 SER 1 HB3 SER 1 -11.513 2.539 29.875
7 HG SER 1 HG SER 1 -12.890 4.759 30.999
8 H HIS 2 H HIS 2 -12.378 5.884 29.030
9 HA HIS 2 HA HIS 2 -11.285 6.617 26.520
10 HB2 HIS 2 HB2 HIS 2 -10.492 8.662 27.740
11 HB3 HIS 2 HB3 HIS 2 -12.186 8.300 28.047
12 HD2 HIS 2 HD2 HIS 2 -9.118 9.220 29.994
13 HE1 HIS 2 HE1 HIS 2 -11.665 7.210 32.706
14 HE2 HIS 2 HE2 HIS 2 -9.757 8.853 32.476
15 H MET 3 H MET 3 -9.856 5.247 29.414
16 HA MET 3 HA MET 3 -7.100 5.580 28.491
17 HB2 MET 3 HB2 MET 3 -7.631 5.915 30.885
18 HB3 MET 3 HB3 MET 3 -8.248 4.273 31.010
19 HG2 MET 3 HG2 MET 3 -6.006 3.372 30.596
20 HG3 MET 3 HG3 MET 3 -5.371 5.004 30.373
21 HE1 MET 3 HE1 MET 3 -5.698 6.501 33.994
22 HE2 MET 3 HE2 MET 3 -6.863 6.664 32.680
23 HE3 MET 3 HE3 MET 3 -5.132 6.797 32.353
24 H SER 4 H SER 4 -6.065 4.069 27.315
25 HA SER 4 HA SER 4 -6.746 1.206 27.542
26 HB2 SER 4 HB2 SER 4 -6.441 2.622 24.848
27 HB3 SER 4 HB3 SER 4 -6.790 0.913 25.103
28 HG SER 4 HG SER 4 -8.810 1.409 25.763
29 H GLY 5 H GLY 5 -4.765 1.694 28.903
30 HA2 GLY 5 HA2 GLY 5 -2.226 1.739 27.366
31 HA3 GLY 5 HA3 GLY 5 -2.411 2.049 29.084
32 H GLY 6 H GLY 6 -2.013 -0.383 26.655
33 HA2 GLY 6 HA2 GLY 6 -0.537 -2.190 27.967
34 HA3 GLY 6 HA3 GLY 6 -2.149 -2.637 28.514
35 H SER 7 H SER 7 -1.851 -1.359 25.313
36 HA SER 7 HA SER 7 -2.839 -3.825 24.142
37 HB2 SER 7 HB2 SER 7 -3.070 -2.426 22.095
38 HB3 SER 7 HB3 SER 7 -3.780 -1.610 23.490
39 HG SER 7 HG SER 7 -2.550 -0.048 22.718
40 HA PRO 8 HA PRO 8 1.204 -5.000 22.452
41 HB2 PRO 8 HB2 PRO 8 0.522 -6.877 20.667
42 HB3 PRO 8 HB3 PRO 8 0.075 -7.086 22.376
43 HG2 PRO 8 HG2 PRO 8 -1.642 -6.159 20.086
44 HG3 PRO 8 HG3 PRO 8 -2.027 -7.319 21.378
45 HD2 PRO 8 HD2 PRO 8 -2.740 -4.616 21.419
46 HD3 PRO 8 HD3 PRO 8 -2.630 -5.655 22.856
47 H LEU 9 H LEU 9 -0.414 -2.672 21.088
48 HA LEU 9 HA LEU 9 0.071 -2.682 18.308
49 HB2 LEU 9 HB2 LEU 9 -0.210 -0.314 20.208
50 HB3 LEU 9 HB3 LEU 9 -0.265 -0.197 18.455
51 HG LEU 9 HG LEU 9 -2.288 -1.653 20.202
52 HD11 LEU 9 HD11 LEU 9 -2.468 0.776 20.409
53 HD12 LEU 9 HD12 LEU 9 -3.854 0.115 19.547
54 HD13 LEU 9 HD13 LEU 9 -2.573 0.944 18.654
55 HD21 LEU 9 HD21 LEU 9 -2.051 -2.801 18.062
56 HD22 LEU 9 HD22 LEU 9 -2.270 -1.284 17.185
57 HD23 LEU 9 HD23 LEU 9 -3.597 -1.960 18.134
58 H ALA 10 H ALA 10 1.962 -1.436 21.030
59 HA ALA 10 HA ALA 10 4.192 -0.557 19.431
60 HB1 ALA 10 HB1 ALA 10 3.981 -1.036 22.435
61 HB2 ALA 10 HB2 ALA 10 3.688 0.496 21.612
62 HB3 ALA 10 HB3 ALA 10 5.307 -0.206 21.611
63 H THR 11 H THR 11 4.887 -2.316 18.221
64 HA THR 11 HA THR 11 5.611 -4.858 19.362
65 HB THR 11 HB THR 11 5.033 -4.805 16.996
66 HG1 THR 11 HG1 THR 11 7.841 -5.245 17.003
67 HG21 THR 11 HG21 THR 11 5.730 -2.504 16.412
68 HG22 THR 11 HG22 THR 11 6.394 -3.681 15.280
69 HG23 THR 11 HG23 THR 11 7.429 -2.989 16.530
70 H GLY 12 H GLY 12 7.676 -5.611 19.865
71 HA2 GLY 12 HA2 GLY 12 9.616 -3.720 20.838
72 HA3 GLY 12 HA3 GLY 12 9.759 -5.474 20.846
73 H THR 13 H THR 13 12.044 -4.758 20.312
74 HA THR 13 HA THR 13 12.712 -3.640 17.795
75 HB THR 13 HB THR 13 14.474 -5.385 19.581
76 HG1 THR 13 HG1 THR 13 14.044 -2.559 19.598
77 HG21 THR 13 HG21 THR 13 16.351 -4.095 18.597
78 HG22 THR 13 HG22 THR 13 15.219 -3.261 17.529
79 HG23 THR 13 HG23 THR 13 15.478 -4.998 17.355
80 H THR 14 H THR 14 11.507 -4.781 16.263
81 HA THR 14 HA THR 14 12.747 -7.227 15.238
82 HB THR 14 HB THR 14 9.708 -7.014 15.605
83 HG1 THR 14 HG1 THR 14 11.667 -7.998 17.252
84 HG21 THR 14 HG21 THR 14 11.409 -9.335 14.600
85 HG22 THR 14 HG22 THR 14 10.363 -8.324 13.597
86 HG23 THR 14 HG23 THR 14 9.661 -9.358 14.840
87 H ALA 15 H ALA 15 13.616 -5.583 13.873
88 HA ALA 15 HA ALA 15 12.032 -3.941 12.149
89 HB1 ALA 15 HB1 ALA 15 14.339 -3.331 12.747
90 HB2 ALA 15 HB2 ALA 15 14.181 -3.484 10.996
91 HB3 ALA 15 HB3 ALA 15 14.957 -4.768 11.927
92 H ASN 16 H ASN 16 10.875 -4.656 10.463
93 HA ASN 16 HA ASN 16 11.822 -6.960 8.842
94 HB2 ASN 16 HB2 ASN 16 9.555 -7.318 9.711
95 HB3 ASN 16 HB3 ASN 16 9.030 -5.745 9.128
96 HD21 ASN 16 HD21 ASN 16 11.025 -8.052 7.280
97 HD22 ASN 16 HD22 ASN 16 9.833 -8.362 6.075
98 H THR 17 H THR 17 13.153 -6.083 7.334
99 HA THR 17 HA THR 17 12.725 -3.554 6.049
100 HB THR 17 HB THR 17 14.588 -5.835 5.230
101 HG1 THR 17 HG1 THR 17 14.658 -4.111 7.318
102 HG21 THR 17 HG21 THR 17 14.670 -2.874 4.496
103 HG22 THR 17 HG22 THR 17 14.269 -4.196 3.394
104 HG23 THR 17 HG23 THR 17 15.895 -4.069 4.070
105 H ARG 18 H ARG 18 10.584 -3.755 5.333
106 HA ARG 18 HA ARG 18 10.185 -5.168 2.795
107 HB2 ARG 18 HB2 ARG 18 9.312 -6.672 4.617
108 HB3 ARG 18 HB3 ARG 18 8.219 -5.387 5.119
109 HG2 ARG 18 HG2 ARG 18 7.030 -5.518 2.980
110 HG3 ARG 18 HG3 ARG 18 8.168 -6.735 2.393
111 HD2 ARG 18 HD2 ARG 18 6.214 -7.036 4.700
112 HD3 ARG 18 HD3 ARG 18 6.122 -7.835 3.130
113 HE ARG 18 HE ARG 18 7.679 -8.643 5.401
114 HH11 ARG 18 HH11 ARG 18 7.585 -8.802 1.878
115 HH12 ARG 18 HH12 ARG 18 8.563 -10.234 1.798
116 HH21 ARG 18 HH21 ARG 18 9.030 -10.490 5.249
117 HH22 ARG 18 HH22 ARG 18 9.378 -11.187 3.701
118 H GLY 19 H GLY 19 10.731 -2.802 2.521
119 HA2 GLY 19 HA2 GLY 19 8.372 -1.050 2.507
120 HA3 GLY 19 HA3 GLY 19 10.008 -0.637 1.999
121 H ALA 20 H ALA 20 7.361 -0.401 0.607
122 HA ALA 20 HA ALA 20 7.349 -2.182 -1.622
123 HB1 ALA 20 HB1 ALA 20 5.335 -0.937 -0.943
124 HB2 ALA 20 HB2 ALA 20 5.750 -0.582 -2.622
125 HB3 ALA 20 HB3 ALA 20 6.126 0.586 -1.354
126 H SER 21 H SER 21 9.301 -2.328 -2.602
127 HA SER 21 HA SER 21 11.010 -0.020 -3.083
128 HB2 SER 21 HB2 SER 21 11.489 -2.993 -3.534
129 HB3 SER 21 HB3 SER 21 12.710 -1.729 -3.700
130 HG SER 21 HG SER 21 11.256 -2.289 -1.321
131 H GLN 22 H GLN 22 9.010 0.513 -4.589
132 HA GLN 22 HA GLN 22 10.112 0.650 -7.220
133 HB2 GLN 22 HB2 GLN 22 8.769 -1.600 -7.097
134 HB3 GLN 22 HB3 GLN 22 7.329 -0.599 -7.069
135 HG2 GLN 22 HG2 GLN 22 9.348 -0.305 -9.302
136 HG3 GLN 22 HG3 GLN 22 8.188 -1.624 -9.324
137 HE21 GLN 22 HE21 GLN 22 7.037 -1.004 -11.090
138 HE22 GLN 22 HE22 GLN 22 6.107 0.451 -11.178
139 H LYS 23 H LYS 23 10.026 2.815 -7.195
140 HA LYS 23 HA LYS 23 7.885 4.174 -5.734
141 HB2 LYS 23 HB2 LYS 23 10.605 5.128 -6.685
142 HB3 LYS 23 HB3 LYS 23 9.434 6.163 -5.869
143 HG2 LYS 23 HG2 LYS 23 9.515 4.677 -3.878
144 HG3 LYS 23 HG3 LYS 23 10.719 3.667 -4.685
145 HD2 LYS 23 HD2 LYS 23 11.115 6.628 -4.087
146 HD3 LYS 23 HD3 LYS 23 11.647 5.334 -3.010
147 HE2 LYS 23 HE2 LYS 23 12.569 5.628 -5.893
148 HE3 LYS 23 HE3 LYS 23 13.457 6.227 -4.490
149 HZ1 LYS 23 HZ1 LYS 23 12.734 3.389 -4.942
150 HZ2 LYS 23 HZ2 LYS 23 13.654 3.989 -3.662
151 HZ3 LYS 23 HZ3 LYS 23 14.253 4.062 -5.241
152 H LYS 24 H LYS 24 6.611 3.376 -7.790
153 HA LYS 24 HA LYS 24 6.400 5.430 -9.817
154 HB2 LYS 24 HB2 LYS 24 4.272 4.352 -10.419
155 HB3 LYS 24 HB3 LYS 24 5.566 3.166 -10.271
156 HG2 LYS 24 HG2 LYS 24 4.728 2.476 -8.072
157 HG3 LYS 24 HG3 LYS 24 3.454 3.704 -8.150
158 HD2 LYS 24 HD2 LYS 24 2.530 2.586 -10.172
159 HD3 LYS 24 HD3 LYS 24 3.786 1.350 -10.054
160 HE2 LYS 24 HE2 LYS 24 2.875 0.597 -7.914
161 HE3 LYS 24 HE3 LYS 24 1.673 1.894 -7.945
162 HZ1 LYS 24 HZ1 LYS 24 0.717 -0.168 -8.694
163 HZ2 LYS 24 HZ2 LYS 24 1.885 -0.337 -9.889
164 HZ3 LYS 24 HZ3 LYS 24 0.765 0.929 -9.971
165 H GLY 25 H GLY 25 5.561 5.220 -6.522
166 HA2 GLY 25 HA2 GLY 25 3.780 7.566 -6.579
167 HA3 GLY 25 HA3 GLY 25 4.288 6.641 -5.167
168 H GLY 26 H GLY 26 6.507 7.723 -7.670
169 HA2 GLY 26 HA2 GLY 26 8.226 9.118 -5.832
170 HA3 GLY 26 HA3 GLY 26 8.453 8.920 -7.560
171 H GLU 27 H GLU 27 5.615 9.967 -7.849
172 HA GLU 27 HA GLU 27 6.085 12.707 -8.315
173 HB2 GLU 27 HB2 GLU 27 3.510 11.087 -8.053
174 HB3 GLU 27 HB3 GLU 27 3.544 12.770 -8.584
175 HG2 GLU 27 HG2 GLU 27 4.531 12.273 -10.629
176 HG3 GLU 27 HG3 GLU 27 5.298 10.804 -10.036
177 HA PRO 28 HA PRO 28 5.835 14.028 -3.945
178 HB2 PRO 28 HB2 PRO 28 5.975 16.792 -5.093
179 HB3 PRO 28 HB3 PRO 28 7.131 15.962 -4.036
180 HG2 PRO 28 HG2 PRO 28 7.733 16.454 -6.588
181 HG3 PRO 28 HG3 PRO 28 8.240 14.940 -5.799
182 HD2 PRO 28 HD2 PRO 28 5.877 15.401 -7.630
183 HD3 PRO 28 HD3 PRO 28 7.103 14.110 -7.673
184 HA PRO 29 HA PRO 29 1.590 15.667 -3.380
185 HB2 PRO 29 HB2 PRO 29 2.333 17.981 -1.667
186 HB3 PRO 29 HB3 PRO 29 1.456 16.499 -1.233
187 HG2 PRO 29 HG2 PRO 29 3.962 16.985 -0.355
188 HG3 PRO 29 HG3 PRO 29 3.376 15.343 -0.700
189 HD2 PRO 29 HD2 PRO 29 5.119 17.116 -2.407
190 HD3 PRO 29 HD3 PRO 29 5.272 15.378 -2.061
191 H ALA 30 H ALA 30 2.587 16.560 -5.809
192 HA ALA 30 HA ALA 30 2.210 19.297 -6.395
193 HB1 ALA 30 HB1 ALA 30 1.769 16.838 -8.149
194 HB2 ALA 30 HB2 ALA 30 3.278 17.742 -7.984
195 HB3 ALA 30 HB3 ALA 30 1.875 18.504 -8.732
196 H LEU 31 H LEU 31 0.058 16.495 -6.711
197 HA LEU 31 HA LEU 31 -2.383 18.055 -6.521
198 HB2 LEU 31 HB2 LEU 31 -1.848 15.046 -6.455
199 HB3 LEU 31 HB3 LEU 31 -3.447 15.732 -6.226
200 HG LEU 31 HG LEU 31 -3.374 16.659 -8.548
201 HD11 LEU 31 HD11 LEU 31 -1.671 15.948 -10.144
202 HD12 LEU 31 HD12 LEU 31 -0.770 15.150 -8.851
203 HD13 LEU 31 HD13 LEU 31 -0.963 16.906 -8.844
204 HD21 LEU 31 HD21 LEU 31 -3.684 14.521 -9.724
205 HD22 LEU 31 HD22 LEU 31 -4.446 14.498 -8.135
206 HD23 LEU 31 HD23 LEU 31 -2.910 13.663 -8.385
207 H ILE 32 H ILE 32 -2.075 19.191 -4.622
208 HA ILE 32 HA ILE 32 -1.076 18.274 -2.186
209 HB ILE 32 HB ILE 32 -2.281 20.300 -1.170
210 HG12 ILE 32 HG12 ILE 32 -3.125 20.752 -4.075
211 HG13 ILE 32 HG13 ILE 32 -4.208 20.417 -2.731
212 HG21 ILE 32 HG21 ILE 32 -0.813 21.946 -2.280
213 HG22 ILE 32 HG22 ILE 32 -0.507 20.805 -3.591
214 HG23 ILE 32 HG23 ILE 32 0.046 20.438 -1.954
215 HD11 ILE 32 HD11 ILE 32 -2.537 22.906 -3.089
216 HD12 ILE 32 HD12 ILE 32 -3.589 22.564 -1.714
217 HD13 ILE 32 HD13 ILE 32 -4.277 22.751 -3.324
218 H VAL 33 H VAL 33 -1.834 16.721 -0.938
219 HA VAL 33 HA VAL 33 -4.736 16.094 -0.884
220 HB VAL 33 HB VAL 33 -3.426 14.433 -2.181
221 HG11 VAL 33 HG11 VAL 33 -1.784 12.937 -1.118
222 HG12 VAL 33 HG12 VAL 33 -1.898 13.868 0.378
223 HG13 VAL 33 HG13 VAL 33 -1.247 14.621 -1.080
224 HG21 VAL 33 HG21 VAL 33 -4.510 13.300 0.422
225 HG22 VAL 33 HG22 VAL 33 -4.254 12.389 -1.066
226 HG23 VAL 33 HG23 VAL 33 -5.451 13.682 -1.020
227 H ASP 34 H ASP 34 -5.663 15.658 1.042
228 HA ASP 34 HA ASP 34 -4.129 15.168 3.470
229 HB2 ASP 34 HB2 ASP 34 -5.571 16.909 4.719
230 HB3 ASP 34 HB3 ASP 34 -4.262 17.533 3.731
231 HA PRO 35 HA PRO 35 -7.919 12.606 2.742
232 HB2 PRO 35 HB2 PRO 35 -6.807 10.150 2.752
233 HB3 PRO 35 HB3 PRO 35 -6.499 11.272 1.409
234 HG2 PRO 35 HG2 PRO 35 -4.723 10.571 3.719
235 HG3 PRO 35 HG3 PRO 35 -4.303 10.831 2.011
236 HD2 PRO 35 HD2 PRO 35 -4.055 12.764 4.046
237 HD3 PRO 35 HD3 PRO 35 -4.063 13.097 2.302
238 H LEU 36 H LEU 36 -7.045 13.646 5.443
239 HA LEU 36 HA LEU 36 -7.552 11.432 7.260
240 HB2 LEU 36 HB2 LEU 36 -7.266 12.985 9.101
241 HB3 LEU 36 HB3 LEU 36 -5.925 13.112 7.982
242 HG LEU 36 HG LEU 36 -8.200 15.133 7.911
243 HD11 LEU 36 HD11 LEU 36 -7.377 15.119 10.226
244 HD12 LEU 36 HD12 LEU 36 -6.926 16.608 9.399
245 HD13 LEU 36 HD13 LEU 36 -5.719 15.343 9.654
246 HD21 LEU 36 HD21 LEU 36 -6.653 15.129 5.994
247 HD22 LEU 36 HD22 LEU 36 -5.286 15.363 7.086
248 HD23 LEU 36 HD23 LEU 36 -6.521 16.617 6.927
249 H MET 37 H MET 37 -9.604 13.204 5.348
250 HA MET 37 HA MET 37 -11.929 13.084 7.098
251 HB2 MET 37 HB2 MET 37 -11.737 13.238 4.044
252 HB3 MET 37 HB3 MET 37 -13.238 13.338 4.955
253 HG2 MET 37 HG2 MET 37 -10.956 15.311 5.165
254 HG3 MET 37 HG3 MET 37 -12.418 15.541 4.203
255 HE1 MET 37 HE1 MET 37 -11.459 17.698 6.355
256 HE2 MET 37 HE2 MET 37 -12.980 18.059 7.172
257 HE3 MET 37 HE3 MET 37 -12.950 17.871 5.420
258 H LYS 38 H LYS 38 -11.152 11.333 4.100
259 HA LYS 38 HA LYS 38 -11.495 8.702 5.366
260 HB2 LYS 38 HB2 LYS 38 -12.979 9.660 2.870
261 HB3 LYS 38 HB3 LYS 38 -12.659 7.949 3.147
262 HG2 LYS 38 HG2 LYS 38 -13.929 8.031 5.246
263 HG3 LYS 38 HG3 LYS 38 -14.251 9.750 4.999
264 HD2 LYS 38 HD2 LYS 38 -15.578 9.263 3.006
265 HD3 LYS 38 HD3 LYS 38 -15.144 7.551 3.088
266 HE2 LYS 38 HE2 LYS 38 -17.419 7.939 3.957
267 HE3 LYS 38 HE3 LYS 38 -16.349 7.328 5.219
268 HZ1 LYS 38 HZ1 LYS 38 -16.103 9.616 6.025
269 HZ2 LYS 38 HZ2 LYS 38 -17.714 9.111 6.050
270 HZ3 LYS 38 HZ3 LYS 38 -17.175 10.158 4.839
271 H TYR 39 H TYR 39 -9.929 7.299 4.671
272 HA TYR 39 HA TYR 39 -7.720 8.458 3.281
273 HB2 TYR 39 HB2 TYR 39 -8.180 5.750 4.568
274 HB3 TYR 39 HB3 TYR 39 -6.699 6.108 3.674
275 HD1 TYR 39 HD2 TYR 39 -5.280 8.095 4.397
276 HD2 TYR 39 HD1 TYR 39 -8.424 6.568 6.863
277 HE1 TYR 39 HE2 TYR 39 -4.331 9.273 6.328
278 HE2 TYR 39 HE1 TYR 39 -7.469 7.756 8.794
279 HH TYR 39 HH TYR 39 -4.906 10.073 8.472
280 H ILE 40 H ILE 40 -7.089 8.261 1.286
281 HA ILE 40 HA ILE 40 -8.750 6.773 -0.658
282 HB ILE 40 HB ILE 40 -7.398 9.507 -0.871
283 HG12 ILE 40 HG12 ILE 40 -10.348 8.726 -0.974
284 HG13 ILE 40 HG13 ILE 40 -9.542 9.513 0.376
285 HG21 ILE 40 HG21 ILE 40 -7.146 8.364 -3.027
286 HG22 ILE 40 HG22 ILE 40 -8.315 9.679 -3.164
287 HG23 ILE 40 HG23 ILE 40 -8.874 8.011 -3.061
288 HD11 ILE 40 HD11 ILE 40 -9.987 10.701 -2.362
289 HD12 ILE 40 HD12 ILE 40 -9.160 11.491 -1.017
290 HD13 ILE 40 HD13 ILE 40 -10.868 11.085 -0.884
291 H CYS 41 H CYS 41 -7.682 5.381 -1.946
292 HA CYS 41 HA CYS 41 -4.800 5.243 -2.076
293 HB2 CYS 41 HB2 CYS 41 -6.158 3.178 -2.167
294 HB3 CYS 41 HB3 CYS 41 -6.942 3.745 -3.636
295 H HIS 42 H HIS 42 -3.730 6.666 -3.248
296 HA HIS 42 HA HIS 42 -4.810 8.633 -4.912
297 HB2 HIS 42 HB2 HIS 42 -2.564 8.825 -3.838
298 HB3 HIS 42 HB3 HIS 42 -1.922 7.650 -4.981
299 HD1 HIS 42 HD1 HIS 42 -0.706 8.751 -6.865
300 HD2 HIS 42 HD2 HIS 42 -3.778 11.156 -5.430
301 HE1 HIS 42 HE1 HIS 42 -0.608 10.856 -8.218
302 HE2 HIS 42 HE2 HIS 42 -2.607 12.187 -7.480
303 H ILE 43 H ILE 43 -3.251 5.602 -5.817
304 HA ILE 43 HA ILE 43 -3.269 5.763 -8.605
305 HB ILE 43 HB ILE 43 -3.557 3.250 -6.887
306 HG12 ILE 43 HG12 ILE 43 -1.024 4.631 -7.906
307 HG13 ILE 43 HG13 ILE 43 -1.581 4.641 -6.237
308 HG21 ILE 43 HG21 ILE 43 -2.542 3.569 -9.739
309 HG22 ILE 43 HG22 ILE 43 -4.068 2.823 -9.264
310 HG23 ILE 43 HG23 ILE 43 -2.542 2.062 -8.815
311 HD11 ILE 43 HD11 ILE 43 0.230 3.082 -6.532
312 HD12 ILE 43 HD12 ILE 43 -0.657 2.224 -7.791
313 HD13 ILE 43 HD13 ILE 43 -1.247 2.209 -6.126
314 H CYS 44 H CYS 44 -5.721 4.498 -6.369
315 HA CYS 44 HA CYS 44 -7.582 3.651 -8.424
316 HB2 CYS 44 HB2 CYS 44 -8.021 3.835 -5.405
317 HB3 CYS 44 HB3 CYS 44 -8.935 2.855 -6.569
318 H ASN 45 H ASN 45 -6.903 6.535 -6.738
319 HA ASN 45 HA ASN 45 -7.805 8.574 -6.492
320 HB2 ASN 45 HB2 ASN 45 -9.698 7.752 -8.741
321 HB3 ASN 45 HB3 ASN 45 -9.438 9.403 -8.185
322 HD21 ASN 45 HD21 ASN 45 -8.097 6.744 -9.996
323 HD22 ASN 45 HD22 ASN 45 -6.779 7.620 -10.689
324 H ARG 46 H ARG 46 -9.031 6.109 -5.164
325 HA ARG 46 HA ARG 46 -11.121 7.409 -3.650
326 HB2 ARG 46 HB2 ARG 46 -12.909 5.824 -4.214
327 HB3 ARG 46 HB3 ARG 46 -12.355 6.633 -5.679
328 HG2 ARG 46 HG2 ARG 46 -10.964 4.634 -6.233
329 HG3 ARG 46 HG3 ARG 46 -11.597 3.823 -4.797
330 HD2 ARG 46 HD2 ARG 46 -13.889 4.032 -5.751
331 HD3 ARG 46 HD3 ARG 46 -13.182 4.740 -7.208
332 HE ARG 46 HE ARG 46 -12.742 1.964 -6.257
333 HH11 ARG 46 HH11 ARG 46 -12.867 4.259 -8.917
334 HH12 ARG 46 HH12 ARG 46 -12.599 3.041 -10.125
335 HH21 ARG 46 HH21 ARG 46 -12.348 0.409 -7.833
336 HH22 ARG 46 HH22 ARG 46 -12.305 0.873 -9.508
337 H GLY 47 H GLY 47 -12.094 5.761 -2.039
338 HA2 GLY 47 HA2 GLY 47 -10.072 4.402 -0.567
339 HA3 GLY 47 HA3 GLY 47 -11.801 4.336 -0.267
340 H ASP 48 H ASP 48 -12.774 3.249 -2.563
341 HA ASP 48 HA ASP 48 -13.139 1.432 -3.811
342 HB2 ASP 48 HB2 ASP 48 -11.029 2.002 -4.895
343 HB3 ASP 48 HB3 ASP 48 -10.119 1.165 -3.654
344 H VAL 49 H VAL 49 -10.470 -0.264 -2.180
345 HA VAL 49 HA VAL 49 -12.403 -1.910 -0.648
346 HB VAL 49 HB VAL 49 -9.875 -2.894 -2.081
347 HG11 VAL 49 HG11 VAL 49 -10.138 -4.030 0.092
348 HG12 VAL 49 HG12 VAL 49 -10.468 -5.147 -1.233
349 HG13 VAL 49 HG13 VAL 49 -11.807 -4.451 -0.315
350 HG21 VAL 49 HG21 VAL 49 -11.782 -2.609 -3.630
351 HG22 VAL 49 HG22 VAL 49 -12.802 -3.600 -2.585
352 HG23 VAL 49 HG23 VAL 49 -11.414 -4.323 -3.408
353 H GLU 50 H GLU 50 -12.137 -0.851 1.241
354 HA GLU 50 HA GLU 50 -9.816 0.441 2.170
355 HB2 GLU 50 HB2 GLU 50 -12.171 0.995 2.814
356 HB3 GLU 50 HB3 GLU 50 -12.249 -0.499 3.738
357 HG2 GLU 50 HG2 GLU 50 -10.351 0.391 5.165
358 HG3 GLU 50 HG3 GLU 50 -10.520 1.929 4.316
359 H GLU 51 H GLU 51 -11.029 -2.837 2.686
360 HA GLU 51 HA GLU 51 -9.391 -3.626 4.848
361 HB2 GLU 51 HB2 GLU 51 -11.432 -4.833 4.084
362 HB3 GLU 51 HB3 GLU 51 -10.592 -5.317 2.614
363 HG2 GLU 51 HG2 GLU 51 -8.900 -6.506 4.119
364 HG3 GLU 51 HG3 GLU 51 -10.003 -6.191 5.460
365 H SER 52 H SER 52 -8.848 -3.645 1.334
366 HA SER 52 HA SER 52 -6.343 -5.109 1.463
367 HB2 SER 52 HB2 SER 52 -7.811 -5.283 -0.528
368 HB3 SER 52 HB3 SER 52 -7.608 -3.559 -0.841
369 HG SER 52 HG SER 52 -6.043 -5.589 -1.585
370 H MET 53 H MET 53 -7.393 -1.848 1.730
371 HA MET 53 HA MET 53 -4.969 -0.499 1.070
372 HB2 MET 53 HB2 MET 53 -7.094 0.669 0.964
373 HB3 MET 53 HB3 MET 53 -7.446 0.312 2.648
374 HG2 MET 53 HG2 MET 53 -5.606 1.787 3.347
375 HG3 MET 53 HG3 MET 53 -5.250 2.142 1.654
376 HE1 MET 53 HE1 MET 53 -8.141 2.357 0.332
377 HE2 MET 53 HE2 MET 53 -6.853 3.532 0.050
378 HE3 MET 53 HE3 MET 53 -8.460 4.082 0.522
379 H LEU 54 H LEU 54 -3.161 -0.681 2.222
380 HA LEU 54 HA LEU 54 -3.192 -0.978 5.155
381 HB2 LEU 54 HB2 LEU 54 -0.860 -0.964 3.187
382 HB3 LEU 54 HB3 LEU 54 -0.657 -0.965 4.930
383 HG LEU 54 HG LEU 54 -2.011 -3.176 4.939
384 HD11 LEU 54 HD11 LEU 54 -1.320 -3.124 1.996
385 HD12 LEU 54 HD12 LEU 54 -2.941 -3.071 2.696
386 HD13 LEU 54 HD13 LEU 54 -1.946 -4.514 2.891
387 HD21 LEU 54 HD21 LEU 54 0.386 -3.095 5.390
388 HD22 LEU 54 HD22 LEU 54 0.733 -3.160 3.660
389 HD23 LEU 54 HD23 LEU 54 -0.030 -4.537 4.463
390 H LEU 55 H LEU 55 -2.143 0.590 6.479
391 HA LEU 55 HA LEU 55 -2.471 3.339 5.458
392 HB2 LEU 55 HB2 LEU 55 -3.687 2.265 7.604
393 HB3 LEU 55 HB3 LEU 55 -2.186 2.665 8.411
394 HG LEU 55 HG LEU 55 -3.888 4.406 8.791
395 HD11 LEU 55 HD11 LEU 55 -2.676 6.426 8.155
396 HD12 LEU 55 HD12 LEU 55 -1.704 5.510 7.000
397 HD13 LEU 55 HD13 LEU 55 -1.562 5.185 8.729
398 HD21 LEU 55 HD21 LEU 55 -5.208 4.050 6.741
399 HD22 LEU 55 HD22 LEU 55 -3.941 4.825 5.786
400 HD23 LEU 55 HD23 LEU 55 -4.831 5.754 6.993
401 H CYS 56 H CYS 56 -0.650 4.470 5.079
402 HA CYS 56 HA CYS 56 1.950 3.443 5.485
403 HB2 CYS 56 HB2 CYS 56 1.254 4.954 3.636
404 HB3 CYS 56 HB3 CYS 56 1.142 6.284 4.789
405 H ASP 57 H ASP 57 3.220 3.569 7.183
406 HA ASP 57 HA ASP 57 2.455 4.644 9.672
407 HB2 ASP 57 HB2 ASP 57 3.732 2.557 9.373
408 HB3 ASP 57 HB3 ASP 57 5.088 3.448 8.699
409 H GLY 58 H GLY 58 4.437 5.862 7.079
410 HA2 GLY 58 HA2 GLY 58 5.810 7.869 8.729
411 HA3 GLY 58 HA3 GLY 58 6.169 7.439 7.068
412 H CYS 59 H CYS 59 2.854 7.832 7.255
413 HA CYS 59 HA CYS 59 2.521 10.643 7.113
414 HB2 CYS 59 HB2 CYS 59 2.210 10.905 4.623
415 HB3 CYS 59 HB3 CYS 59 3.869 10.538 5.074
416 H ASP 60 H ASP 60 0.446 10.579 4.949
417 HA ASP 60 HA ASP 60 -1.611 8.924 6.283
418 HB2 ASP 60 HB2 ASP 60 -1.826 11.722 5.084
419 HB3 ASP 60 HB3 ASP 60 -3.235 10.738 5.465
420 H ASP 61 H ASP 61 0.086 9.237 3.331
421 HA ASP 61 HA ASP 61 -2.026 8.778 1.487
422 HB2 ASP 61 HB2 ASP 61 -0.241 7.845 -0.078
423 HB3 ASP 61 HB3 ASP 61 -0.006 9.484 0.437
424 H SER 62 H SER 62 -2.893 6.932 0.648
425 HA SER 62 HA SER 62 -2.457 4.410 2.171
426 HB2 SER 62 HB2 SER 62 -5.085 5.669 1.264
427 HB3 SER 62 HB3 SER 62 -4.910 4.127 2.101
428 HG SER 62 HG SER 62 -3.885 6.519 3.194
429 H TYR 63 H TYR 63 -2.426 2.555 0.966
430 HA TYR 63 HA TYR 63 -3.108 2.575 -1.903
431 HB2 TYR 63 HB2 TYR 63 -0.360 1.675 -0.883
432 HB3 TYR 63 HB3 TYR 63 -0.939 1.492 -2.529
433 HD1 TYR 63 HD1 TYR 63 0.046 4.059 0.023
434 HD2 TYR 63 HD2 TYR 63 -0.648 3.286 -4.131
435 HE1 TYR 63 HE1 TYR 63 0.956 6.270 -0.528
436 HE2 TYR 63 HE2 TYR 63 0.278 5.508 -4.672
437 HH TYR 63 HH TYR 63 1.925 7.436 -2.308
438 H HIS 64 H HIS 64 -3.563 0.499 -2.732
439 HA HIS 64 HA HIS 64 -4.253 -1.549 -0.755
440 HB2 HIS 64 HB2 HIS 64 -4.746 -1.541 -3.766
441 HB3 HIS 64 HB3 HIS 64 -5.430 -2.675 -2.612
442 HD2 HIS 64 HD2 HIS 64 -7.062 -1.260 -0.613
443 HE1 HIS 64 HE1 HIS 64 -8.241 1.554 -3.499
444 HE2 HIS 64 HE2 HIS 64 -8.625 0.712 -1.157
445 H THR 65 H THR 65 -3.662 -3.802 -1.068
446 HA THR 65 HA THR 65 -0.954 -4.368 -1.459
447 HB THR 65 HB THR 65 -1.660 -6.807 -1.576
448 HG1 THR 65 HG1 THR 65 -4.296 -6.241 -0.952
449 HG21 THR 65 HG21 THR 65 -2.601 -6.932 0.688
450 HG22 THR 65 HG22 THR 65 -2.993 -5.212 0.637
451 HG23 THR 65 HG23 THR 65 -1.306 -5.738 0.617
452 H PHE 66 H PHE 66 -3.689 -5.059 -3.627
453 HA PHE 66 HA PHE 66 -2.040 -6.118 -5.724
454 HB2 PHE 66 HB2 PHE 66 -4.168 -6.406 -6.962
455 HB3 PHE 66 HB3 PHE 66 -4.257 -7.066 -5.338
456 HD1 PHE 66 HD1 PHE 66 -5.677 -5.964 -3.603
457 HD2 PHE 66 HD2 PHE 66 -5.595 -4.530 -7.633
458 HE1 PHE 66 HE1 PHE 66 -7.756 -4.705 -3.204
459 HE2 PHE 66 HE2 PHE 66 -7.663 -3.274 -7.220
460 HZ PHE 66 HZ PHE 66 -8.747 -3.360 -5.010
461 H CYS 67 H CYS 67 -3.079 -2.902 -4.932
462 HA CYS 67 HA CYS 67 -3.034 -1.803 -7.565
463 HB2 CYS 67 HB2 CYS 67 -2.840 -0.529 -4.814
464 HB3 CYS 67 HB3 CYS 67 -2.893 0.407 -6.324
465 H LEU 68 H LEU 68 -0.487 -2.857 -5.574
466 HA LEU 68 HA LEU 68 1.494 -1.042 -6.838
467 HB2 LEU 68 HB2 LEU 68 1.663 -2.710 -4.290
468 HB3 LEU 68 HB3 LEU 68 2.966 -1.708 -4.914
469 HG LEU 68 HG LEU 68 0.255 -0.583 -4.058
470 HD11 LEU 68 HD11 LEU 68 2.822 -0.671 -2.446
471 HD12 LEU 68 HD12 LEU 68 1.359 -1.614 -2.135
472 HD13 LEU 68 HD13 LEU 68 1.317 0.141 -1.992
473 HD21 LEU 68 HD21 LEU 68 2.893 0.830 -4.619
474 HD22 LEU 68 HD22 LEU 68 1.400 1.592 -4.059
475 HD23 LEU 68 HD23 LEU 68 1.460 0.846 -5.653
476 H LEU 69 H LEU 69 3.326 -1.901 -7.803
477 HA LEU 69 HA LEU 69 3.702 -4.832 -7.898
478 HB2 LEU 69 HB2 LEU 69 3.990 -2.878 -10.214
479 HB3 LEU 69 HB3 LEU 69 4.737 -4.469 -10.224
480 HG LEU 69 HG LEU 69 1.734 -3.984 -10.038
481 HD11 LEU 69 HD11 LEU 69 3.400 -4.857 -12.419
482 HD12 LEU 69 HD12 LEU 69 2.589 -3.299 -12.222
483 HD13 LEU 69 HD13 LEU 69 1.636 -4.774 -12.355
484 HD21 LEU 69 HD21 LEU 69 3.289 -6.567 -10.414
485 HD22 LEU 69 HD22 LEU 69 1.532 -6.399 -10.465
486 HD23 LEU 69 HD23 LEU 69 2.400 -6.083 -8.965
487 HA PRO 70 HA PRO 70 5.194 -6.314 -7.409
488 HB2 PRO 70 HB2 PRO 70 6.585 -7.123 -5.183
489 HB3 PRO 70 HB3 PRO 70 7.333 -7.037 -6.792
490 HG2 PRO 70 HG2 PRO 70 7.488 -5.041 -4.548
491 HG3 PRO 70 HG3 PRO 70 8.787 -5.667 -5.590
492 HD2 PRO 70 HD2 PRO 70 7.615 -3.256 -6.054
493 HD3 PRO 70 HD3 PRO 70 8.230 -4.277 -7.371
494 HA PRO 71 HA PRO 71 1.880 -5.341 -4.563
495 HB2 PRO 71 HB2 PRO 71 0.685 -7.811 -4.327
496 HB3 PRO 71 HB3 PRO 71 0.588 -6.845 -5.814
497 HG2 PRO 71 HG2 PRO 71 2.445 -9.121 -5.179
498 HG3 PRO 71 HG3 PRO 71 1.500 -8.825 -6.656
499 HD2 PRO 71 HD2 PRO 71 4.130 -8.199 -6.512
500 HD3 PRO 71 HD3 PRO 71 2.989 -7.212 -7.457
501 H LEU 72 H LEU 72 1.137 -5.742 -2.404
502 HA LEU 72 HA LEU 72 3.202 -6.635 -0.568
503 HB2 LEU 72 HB2 LEU 72 0.406 -5.596 0.045
504 HB3 LEU 72 HB3 LEU 72 1.744 -5.750 1.184
505 HG LEU 72 HG LEU 72 1.693 -3.853 -1.210
506 HD11 LEU 72 HD11 LEU 72 0.062 -3.155 0.463
507 HD12 LEU 72 HD12 LEU 72 1.418 -2.034 0.388
508 HD13 LEU 72 HD13 LEU 72 1.305 -3.189 1.720
509 HD21 LEU 72 HD21 LEU 72 3.976 -4.548 -0.647
510 HD22 LEU 72 HD22 LEU 72 3.729 -4.073 1.036
511 HD23 LEU 72 HD23 LEU 72 3.720 -2.852 -0.239
512 H THR 73 H THR 73 3.094 -8.820 -1.490
513 HA THR 73 HA THR 73 0.856 -10.551 -1.113
514 HB THR 73 HB THR 73 2.543 -12.384 -1.622
515 HG1 THR 73 HG1 THR 73 4.644 -11.811 -2.096
516 HG21 THR 73 HG21 THR 73 2.998 -11.694 -3.958
517 HG22 THR 73 HG22 THR 73 2.549 -10.035 -3.559
518 HG23 THR 73 HG23 THR 73 1.337 -11.316 -3.484
519 H SER 74 H SER 74 3.638 -9.642 0.825
520 HA SER 74 HA SER 74 2.544 -11.177 3.109
521 HB2 SER 74 HB2 SER 74 5.385 -10.122 2.771
522 HB3 SER 74 HB3 SER 74 4.779 -11.180 4.047
523 HG SER 74 HG SER 74 4.186 -12.460 1.904
524 H ILE 75 H ILE 75 1.739 -9.959 4.685
525 HA ILE 75 HA ILE 75 1.749 -7.091 4.601
526 HB ILE 75 HB ILE 75 0.611 -9.001 6.691
527 HG12 ILE 75 HG12 ILE 75 -0.386 -9.295 4.439
528 HG13 ILE 75 HG13 ILE 75 -1.566 -8.618 5.561
529 HG21 ILE 75 HG21 ILE 75 0.088 -6.020 6.347
530 HG22 ILE 75 HG22 ILE 75 0.950 -6.780 7.688
531 HG23 ILE 75 HG23 ILE 75 -0.772 -7.088 7.460
532 HD11 ILE 75 HD11 ILE 75 -1.171 -6.378 4.571
533 HD12 ILE 75 HD12 ILE 75 -1.751 -7.562 3.404
534 HD13 ILE 75 HD13 ILE 75 -0.048 -7.114 3.421
535 HA PRO 76 HA PRO 76 5.485 -6.913 7.153
536 HB2 PRO 76 HB2 PRO 76 5.763 -4.173 7.257
537 HB3 PRO 76 HB3 PRO 76 6.226 -5.152 5.852
538 HG2 PRO 76 HG2 PRO 76 3.827 -3.437 6.232
539 HG3 PRO 76 HG3 PRO 76 4.742 -3.786 4.752
540 HD2 PRO 76 HD2 PRO 76 2.306 -4.973 5.465
541 HD3 PRO 76 HD3 PRO 76 3.432 -5.614 4.253
542 H LYS 77 H LYS 77 4.709 -7.734 9.010
543 HA LYS 77 HA LYS 77 2.927 -6.655 10.864
544 HB2 LYS 77 HB2 LYS 77 5.287 -8.530 11.312
545 HB3 LYS 77 HB3 LYS 77 4.020 -8.217 12.500
546 HG2 LYS 77 HG2 LYS 77 2.328 -9.202 11.043
547 HG3 LYS 77 HG3 LYS 77 3.505 -9.402 9.741
548 HD2 LYS 77 HD2 LYS 77 3.671 -10.784 12.455
549 HD3 LYS 77 HD3 LYS 77 3.022 -11.521 10.990
550 HE2 LYS 77 HE2 LYS 77 5.881 -10.553 11.361
551 HE3 LYS 77 HE3 LYS 77 5.342 -12.233 11.383
552 HZ1 LYS 77 HZ1 LYS 77 4.637 -11.998 9.080
553 HZ2 LYS 77 HZ2 LYS 77 6.274 -11.632 9.252
554 HZ3 LYS 77 HZ3 LYS 77 5.156 -10.389 9.059
555 H GLY 78 H GLY 78 3.124 -4.690 11.646
556 HA2 GLY 78 HA2 GLY 78 4.285 -3.257 13.347
557 HA3 GLY 78 HA3 GLY 78 5.754 -3.535 12.408
558 H GLU 79 H GLU 79 2.774 -3.356 10.740
559 HA GLU 79 HA GLU 79 1.795 -2.058 9.273
560 HB2 GLU 79 HB2 GLU 79 3.018 0.270 10.783
561 HB3 GLU 79 HB3 GLU 79 1.763 0.419 9.550
562 HG2 GLU 79 HG2 GLU 79 0.386 -1.213 11.015
563 HG3 GLU 79 HG3 GLU 79 1.566 -0.876 12.283
564 H TRP 80 H TRP 80 2.341 0.022 7.669
565 HA TRP 80 HA TRP 80 4.610 -1.102 6.123
566 HB2 TRP 80 HB2 TRP 80 2.573 -2.092 5.331
567 HB3 TRP 80 HB3 TRP 80 1.719 -0.557 5.349
568 HD1 TRP 80 HD1 TRP 80 4.611 -2.266 3.346
569 HE1 TRP 80 HE1 TRP 80 4.508 -1.336 0.950
570 HE3 TRP 80 HE3 TRP 80 0.888 1.156 3.990
571 HZ2 TRP 80 HZ2 TRP 80 3.026 0.591 -0.477
572 HZ3 TRP 80 HZ3 TRP 80 0.172 2.516 2.057
573 HH2 TRP 80 HH2 TRP 80 1.235 2.227 -0.126
574 H LEU 81 H LEU 81 5.784 0.267 4.886
575 HA LEU 81 HA LEU 81 5.173 3.167 4.874
576 HB2 LEU 81 HB2 LEU 81 7.772 1.657 4.383
577 HB3 LEU 81 HB3 LEU 81 7.600 3.393 4.175
578 HG LEU 81 HG LEU 81 7.270 1.904 6.817
579 HD11 LEU 81 HD11 LEU 81 9.555 3.661 5.862
580 HD12 LEU 81 HD12 LEU 81 9.601 1.907 6.073
581 HD13 LEU 81 HD13 LEU 81 9.386 2.953 7.472
582 HD21 LEU 81 HD21 LEU 81 5.859 3.913 6.719
583 HD22 LEU 81 HD22 LEU 81 7.254 4.894 6.258
584 HD23 LEU 81 HD23 LEU 81 7.192 4.131 7.850
585 H CYS 82 H CYS 82 4.474 4.017 3.033
586 HA CYS 82 HA CYS 82 4.115 2.659 0.566
587 HB2 CYS 82 HB2 CYS 82 3.384 4.836 -0.283
588 HB3 CYS 82 HB3 CYS 82 2.712 4.579 1.336
589 HA PRO 83 HA PRO 83 7.979 3.142 -1.746
590 HB2 PRO 83 HB2 PRO 83 6.375 4.804 -3.716
591 HB3 PRO 83 HB3 PRO 83 7.512 3.473 -4.024
592 HG2 PRO 83 HG2 PRO 83 4.910 3.013 -4.165
593 HG3 PRO 83 HG3 PRO 83 5.989 1.823 -3.398
594 HD2 PRO 83 HD2 PRO 83 4.078 3.738 -2.099
595 HD3 PRO 83 HD3 PRO 83 4.546 2.092 -1.605
596 H ARG 84 H ARG 84 6.001 6.036 -1.469
597 HA ARG 84 HA ARG 84 7.923 8.069 -1.793
598 HB2 ARG 84 HB2 ARG 84 5.483 8.416 -1.985
599 HB3 ARG 84 HB3 ARG 84 5.273 7.997 -0.293
600 HG2 ARG 84 HG2 ARG 84 5.067 10.394 -0.601
601 HG3 ARG 84 HG3 ARG 84 6.493 10.034 0.373
602 HD2 ARG 84 HD2 ARG 84 7.934 10.370 -1.597
603 HD3 ARG 84 HD3 ARG 84 6.510 10.691 -2.599
604 HE ARG 84 HE ARG 84 6.430 12.458 -0.453
605 HH11 ARG 84 HH11 ARG 84 8.560 11.858 -3.186
606 HH12 ARG 84 HH12 ARG 84 9.079 13.508 -3.292
607 HH21 ARG 84 HH21 ARG 84 7.086 14.618 -0.625
608 HH22 ARG 84 HH22 ARG 84 8.243 15.082 -1.834
609 H CYS 85 H CYS 85 6.673 6.444 1.150
610 HA CYS 85 HA CYS 85 8.268 8.027 2.970
611 HB2 CYS 85 HB2 CYS 85 6.522 5.580 3.456
612 HB3 CYS 85 HB3 CYS 85 7.236 6.598 4.716
613 H VAL 86 H VAL 86 8.525 4.836 1.506
614 HA VAL 86 HA VAL 86 10.604 3.695 2.945
615 HB VAL 86 HB VAL 86 9.970 3.469 -0.034
616 HG11 VAL 86 HG11 VAL 86 11.289 1.370 -0.073
617 HG12 VAL 86 HG12 VAL 86 11.790 1.655 1.596
618 HG13 VAL 86 HG13 VAL 86 12.303 2.760 0.324
619 HG21 VAL 86 HG21 VAL 86 8.155 2.702 1.460
620 HG22 VAL 86 HG22 VAL 86 9.274 1.597 2.254
621 HG23 VAL 86 HG23 VAL 86 8.858 1.358 0.557
622 H VAL 87 H VAL 87 10.813 5.662 -0.014
623 HA VAL 87 HA VAL 87 12.308 7.096 -0.860
624 HB VAL 87 HB VAL 87 13.825 6.922 1.776
625 HG11 VAL 87 HG11 VAL 87 15.357 7.635 -0.007
626 HG12 VAL 87 HG12 VAL 87 15.001 8.996 1.056
627 HG13 VAL 87 HG13 VAL 87 14.219 8.882 -0.523
628 HG21 VAL 87 HG21 VAL 87 12.794 9.150 2.241
629 HG22 VAL 87 HG22 VAL 87 11.585 7.875 2.053
630 HG23 VAL 87 HG23 VAL 87 11.870 9.016 0.736
631 H GLU 88 H GLU 88 14.055 4.570 0.931
632 HA GLU 88 HA GLU 88 16.038 4.137 -1.096
633 HB2 GLU 88 HB2 GLU 88 15.306 2.463 1.359
634 HB3 GLU 88 HB3 GLU 88 16.779 2.296 0.402
635 HG2 GLU 88 HG2 GLU 88 17.448 4.595 1.061
636 HG3 GLU 88 HG3 GLU 88 15.994 4.720 2.056
637 H GLU 89 H GLU 89 16.227 1.376 -1.175
638 HA GLU 89 HA GLU 89 13.858 -0.008 -1.895
639 HB2 GLU 89 HB2 GLU 89 14.331 -0.214 -4.363
640 HB3 GLU 89 HB3 GLU 89 13.852 1.408 -3.880
641 HG2 GLU 89 HG2 GLU 89 16.210 2.143 -3.955
642 HG3 GLU 89 HG3 GLU 89 16.709 0.519 -4.415
643 H VAL 90 H VAL 90 14.323 -2.237 -2.286
644 HA VAL 90 HA VAL 90 17.040 -3.142 -1.821
645 HB VAL 90 HB VAL 90 15.237 -4.467 -0.859
646 HG11 VAL 90 HG11 VAL 90 14.232 -5.022 -3.664
647 HG12 VAL 90 HG12 VAL 90 13.414 -4.066 -2.429
648 HG13 VAL 90 HG13 VAL 90 13.641 -5.801 -2.193
649 HG21 VAL 90 HG21 VAL 90 15.902 -6.719 -1.599
650 HG22 VAL 90 HG22 VAL 90 17.300 -5.648 -1.468
651 HG23 VAL 90 HG23 VAL 90 16.629 -6.032 -3.055
652 H SER 91 H SER 91 18.097 -2.094 -3.495
653 HA SER 91 HA SER 91 17.445 -2.133 -6.237
654 HB2 SER 91 HB2 SER 91 18.985 -0.463 -5.280
655 HB3 SER 91 HB3 SER 91 20.166 -1.721 -4.911
656 HG SER 91 HG SER 91 20.805 -1.682 -6.926
657 H LYS 92 H LYS 92 17.318 -3.856 -7.456
658 HA LYS 92 HA LYS 92 17.522 -5.867 -8.422
659 HB2 LYS 92 HB2 LYS 92 20.303 -6.085 -7.191
660 HB3 LYS 92 HB3 LYS 92 19.679 -7.037 -8.536
661 HG2 LYS 92 HG2 LYS 92 20.179 -4.040 -8.558
662 HG3 LYS 92 HG3 LYS 92 21.221 -5.260 -9.296
663 HD2 LYS 92 HD2 LYS 92 19.527 -5.815 -10.937
664 HD3 LYS 92 HD3 LYS 92 18.313 -4.842 -10.101
665 HE2 LYS 92 HE2 LYS 92 19.206 -3.732 -12.140
666 HE3 LYS 92 HE3 LYS 92 19.486 -2.793 -10.674
667 HZ1 LYS 92 HZ1 LYS 92 21.501 -4.533 -11.991
668 HZ2 LYS 92 HZ2 LYS 92 21.756 -3.539 -10.646
669 HZ3 LYS 92 HZ3 LYS 92 21.415 -2.851 -12.150
670 HA PRO 93 HA PRO 93 15.857 -7.645 -4.435
671 HB2 PRO 93 HB2 PRO 93 14.070 -8.967 -6.490
672 HB3 PRO 93 HB3 PRO 93 13.633 -8.149 -4.972
673 HG2 PRO 93 HG2 PRO 93 13.195 -6.926 -7.276
674 HG3 PRO 93 HG3 PRO 93 13.854 -6.006 -5.899
675 HD2 PRO 93 HD2 PRO 93 15.316 -7.114 -8.300
676 HD3 PRO 93 HD3 PRO 93 15.467 -5.515 -7.533
677 H GLN 94 H GLN 94 15.348 -9.943 -3.810
678 HA GLN 94 HA GLN 94 16.014 -12.021 -3.317
679 HB2 GLN 94 HB2 GLN 94 16.801 -12.225 -6.251
680 HB3 GLN 94 HB3 GLN 94 16.690 -13.589 -5.143
681 HG2 GLN 94 HG2 GLN 94 14.258 -13.147 -4.893
682 HG3 GLN 94 HG3 GLN 94 14.392 -11.816 -6.042
683 HE21 GLN 94 HE21 GLN 94 16.043 -14.962 -6.307
684 HE22 GLN 94 HE22 GLN 94 15.212 -15.460 -7.736
Start of MODEL 5
1 H1 SER 1 H1 SER 1 -97.102 16.086 -22.962
2 H2 SER 1 H2 SER 1 -97.033 15.859 -24.633
3 H3 SER 1 H3 SER 1 -97.328 17.397 -24.006
4 HA SER 1 HA SER 1 -95.155 17.494 -23.048
5 HB2 SER 1 HB2 SER 1 -94.760 14.745 -24.325
6 HB3 SER 1 HB3 SER 1 -93.503 15.681 -23.508
7 HG SER 1 HG SER 1 -94.731 13.971 -22.281
8 H HIS 2 H HIS 2 -94.186 19.034 -24.267
9 HA HIS 2 HA HIS 2 -94.368 19.018 -27.167
10 HB2 HIS 2 HB2 HIS 2 -93.431 21.225 -27.136
11 HB3 HIS 2 HB3 HIS 2 -94.492 21.160 -25.736
12 HD2 HIS 2 HD2 HIS 2 -93.205 21.408 -23.249
13 HE1 HIS 2 HE1 HIS 2 -89.368 22.114 -24.883
14 HE2 HIS 2 HE2 HIS 2 -90.816 22.328 -22.816
15 H MET 3 H MET 3 -92.405 19.211 -28.539
16 HA MET 3 HA MET 3 -90.122 17.619 -27.485
17 HB2 MET 3 HB2 MET 3 -91.542 16.328 -29.070
18 HB3 MET 3 HB3 MET 3 -91.297 17.552 -30.309
19 HG2 MET 3 HG2 MET 3 -88.876 17.036 -30.307
20 HG3 MET 3 HG3 MET 3 -89.152 15.798 -29.079
21 HE1 MET 3 HE1 MET 3 -87.908 14.031 -30.640
22 HE2 MET 3 HE2 MET 3 -87.664 15.267 -31.878
23 HE3 MET 3 HE3 MET 3 -88.367 13.706 -32.311
24 H SER 4 H SER 4 -88.902 19.429 -26.962
25 HA SER 4 HA SER 4 -88.206 21.438 -28.903
26 HB2 SER 4 HB2 SER 4 -86.458 22.066 -27.146
27 HB3 SER 4 HB3 SER 4 -88.128 22.101 -26.585
28 HG SER 4 HG SER 4 -86.202 20.074 -26.130
29 H GLY 5 H GLY 5 -87.419 20.421 -30.705
30 HA2 GLY 5 HA2 GLY 5 -85.302 18.395 -30.524
31 HA3 GLY 5 HA3 GLY 5 -86.217 18.842 -31.954
32 H GLY 6 H GLY 6 -83.866 20.228 -29.661
33 HA2 GLY 6 HA2 GLY 6 -82.848 22.235 -31.427
34 HA3 GLY 6 HA3 GLY 6 -82.113 21.684 -29.928
35 H SER 7 H SER 7 -82.268 21.178 -33.402
36 HA SER 7 HA SER 7 -80.433 18.963 -33.551
37 HB2 SER 7 HB2 SER 7 -82.166 19.379 -35.295
38 HB3 SER 7 HB3 SER 7 -81.380 20.898 -35.723
39 HG SER 7 HG SER 7 -79.840 18.563 -35.752
40 HA PRO 8 HA PRO 8 -76.987 21.962 -33.267
41 HB2 PRO 8 HB2 PRO 8 -75.272 20.374 -31.836
42 HB3 PRO 8 HB3 PRO 8 -76.672 21.172 -31.102
43 HG2 PRO 8 HG2 PRO 8 -76.253 18.319 -31.613
44 HG3 PRO 8 HG3 PRO 8 -77.444 19.111 -30.566
45 HD2 PRO 8 HD2 PRO 8 -77.797 18.098 -33.292
46 HD3 PRO 8 HD3 PRO 8 -79.029 18.648 -32.138
47 H LEU 9 H LEU 9 -76.680 21.870 -35.641
48 HA LEU 9 HA LEU 9 -74.678 20.005 -36.666
49 HB2 LEU 9 HB2 LEU 9 -75.935 22.461 -37.941
50 HB3 LEU 9 HB3 LEU 9 -74.792 21.405 -38.751
51 HG LEU 9 HG LEU 9 -77.623 20.717 -37.879
52 HD11 LEU 9 HD11 LEU 9 -76.374 20.893 -40.642
53 HD12 LEU 9 HD12 LEU 9 -77.495 22.049 -39.920
54 HD13 LEU 9 HD13 LEU 9 -78.038 20.414 -40.289
55 HD21 LEU 9 HD21 LEU 9 -77.265 18.469 -38.872
56 HD22 LEU 9 HD22 LEU 9 -76.255 18.743 -37.456
57 HD23 LEU 9 HD23 LEU 9 -75.549 18.835 -39.072
58 H ALA 10 H ALA 10 -73.170 20.469 -34.997
59 HA ALA 10 HA ALA 10 -72.022 23.103 -34.698
60 HB1 ALA 10 HB1 ALA 10 -70.580 22.016 -33.008
61 HB2 ALA 10 HB2 ALA 10 -71.227 20.438 -33.466
62 HB3 ALA 10 HB3 ALA 10 -72.284 21.651 -32.737
63 H THR 11 H THR 11 -70.480 23.850 -35.978
64 HA THR 11 HA THR 11 -68.940 22.376 -37.872
65 HB THR 11 HB THR 11 -67.592 24.532 -38.024
66 HG1 THR 11 HG1 THR 11 -67.775 25.248 -35.873
67 HG21 THR 11 HG21 THR 11 -70.605 24.936 -38.078
68 HG22 THR 11 HG22 THR 11 -69.636 24.273 -39.397
69 HG23 THR 11 HG23 THR 11 -69.416 25.951 -38.892
70 H GLY 12 H GLY 12 -66.798 21.601 -37.696
71 HA2 GLY 12 HA2 GLY 12 -65.902 20.852 -35.021
72 HA3 GLY 12 HA3 GLY 12 -65.212 20.355 -36.559
73 H THR 13 H THR 13 -65.667 23.447 -34.839
74 HA THR 13 HA THR 13 -63.284 24.590 -36.004
75 HB THR 13 HB THR 13 -65.135 25.797 -33.879
76 HG1 THR 13 HG1 THR 13 -65.363 25.558 -36.687
77 HG21 THR 13 HG21 THR 13 -64.371 27.964 -34.801
78 HG22 THR 13 HG22 THR 13 -63.282 27.119 -35.904
79 HG23 THR 13 HG23 THR 13 -63.011 27.037 -34.163
80 H THR 14 H THR 14 -61.693 23.199 -35.147
81 HA THR 14 HA THR 14 -60.792 23.858 -32.431
82 HB THR 14 HB THR 14 -60.911 20.979 -33.473
83 HG1 THR 14 HG1 THR 14 -62.611 22.512 -31.906
84 HG21 THR 14 HG21 THR 14 -58.918 21.410 -32.049
85 HG22 THR 14 HG22 THR 14 -60.076 20.369 -31.217
86 HG23 THR 14 HG23 THR 14 -59.964 22.077 -30.795
87 H ALA 15 H ALA 15 -58.940 24.866 -32.837
88 HA ALA 15 HA ALA 15 -56.828 23.509 -34.389
89 HB1 ALA 15 HB1 ALA 15 -57.728 25.326 -35.813
90 HB2 ALA 15 HB2 ALA 15 -56.074 25.673 -35.308
91 HB3 ALA 15 HB3 ALA 15 -57.426 26.495 -34.526
92 H ASN 16 H ASN 16 -56.318 22.738 -32.277
93 HA ASN 16 HA ASN 16 -55.715 24.535 -30.107
94 HB2 ASN 16 HB2 ASN 16 -56.618 22.241 -29.694
95 HB3 ASN 16 HB3 ASN 16 -55.139 21.541 -30.342
96 HD21 ASN 16 HD21 ASN 16 -56.533 23.338 -27.662
97 HD22 ASN 16 HD22 ASN 16 -55.227 23.082 -26.558
98 H THR 17 H THR 17 -54.095 25.904 -30.739
99 HA THR 17 HA THR 17 -51.644 25.066 -31.951
100 HB THR 17 HB THR 17 -52.444 27.359 -32.310
101 HG1 THR 17 HG1 THR 17 -50.053 27.486 -30.769
102 HG21 THR 17 HG21 THR 17 -51.947 27.854 -29.347
103 HG22 THR 17 HG22 THR 17 -53.531 27.796 -30.124
104 HG23 THR 17 HG23 THR 17 -52.389 29.078 -30.536
105 H ARG 18 H ARG 18 -49.765 24.455 -31.000
106 HA ARG 18 HA ARG 18 -49.129 24.880 -28.223
107 HB2 ARG 18 HB2 ARG 18 -49.177 22.645 -27.398
108 HB3 ARG 18 HB3 ARG 18 -50.735 22.870 -28.169
109 HG2 ARG 18 HG2 ARG 18 -48.384 21.373 -29.374
110 HG3 ARG 18 HG3 ARG 18 -49.760 20.630 -28.568
111 HD2 ARG 18 HD2 ARG 18 -51.260 21.329 -30.315
112 HD3 ARG 18 HD3 ARG 18 -50.019 22.340 -31.061
113 HE ARG 18 HE ARG 18 -50.316 19.447 -31.271
114 HH11 ARG 18 HH11 ARG 18 -48.162 22.196 -31.834
115 HH12 ARG 18 HH12 ARG 18 -47.190 21.333 -32.995
116 HH21 ARG 18 HH21 ARG 18 -48.975 18.343 -32.778
117 HH22 ARG 18 HH22 ARG 18 -47.647 19.190 -33.512
118 H GLY 19 H GLY 19 -47.004 24.024 -27.700
119 HA2 GLY 19 HA2 GLY 19 -45.269 23.100 -29.884
120 HA3 GLY 19 HA3 GLY 19 -44.883 24.651 -29.135
121 H ALA 20 H ALA 20 -43.925 21.596 -29.075
122 HA ALA 20 HA ALA 20 -43.177 21.598 -26.216
123 HB1 ALA 20 HB1 ALA 20 -45.187 20.173 -26.399
124 HB2 ALA 20 HB2 ALA 20 -43.761 19.212 -26.004
125 HB3 ALA 20 HB3 ALA 20 -44.401 19.203 -27.649
126 H SER 21 H SER 21 -41.010 21.789 -26.418
127 HA SER 21 HA SER 21 -39.541 19.706 -27.921
128 HB2 SER 21 HB2 SER 21 -38.745 22.656 -27.769
129 HB3 SER 21 HB3 SER 21 -37.792 21.372 -28.523
130 HG SER 21 HG SER 21 -39.821 21.027 -29.816
131 H GLN 22 H GLN 22 -39.878 18.794 -25.726
132 HA GLN 22 HA GLN 22 -38.466 19.810 -23.465
133 HB2 GLN 22 HB2 GLN 22 -39.598 17.026 -24.022
134 HB3 GLN 22 HB3 GLN 22 -38.813 17.466 -22.511
135 HG2 GLN 22 HG2 GLN 22 -41.169 17.576 -22.139
136 HG3 GLN 22 HG3 GLN 22 -40.571 19.227 -22.177
137 HE21 GLN 22 HE21 GLN 22 -42.461 16.827 -23.890
138 HE22 GLN 22 HE22 GLN 22 -43.267 17.934 -24.943
139 H LYS 23 H LYS 23 -36.423 20.301 -24.367
140 HA LYS 23 HA LYS 23 -34.553 18.394 -25.327
141 HB2 LYS 23 HB2 LYS 23 -34.203 20.798 -25.683
142 HB3 LYS 23 HB3 LYS 23 -34.168 21.087 -23.949
143 HG2 LYS 23 HG2 LYS 23 -32.070 19.796 -23.773
144 HG3 LYS 23 HG3 LYS 23 -32.088 19.527 -25.519
145 HD2 LYS 23 HD2 LYS 23 -31.890 21.955 -25.905
146 HD3 LYS 23 HD3 LYS 23 -31.953 22.251 -24.166
147 HE2 LYS 23 HE2 LYS 23 -29.652 22.376 -24.978
148 HE3 LYS 23 HE3 LYS 23 -29.841 21.014 -23.877
149 HZ1 LYS 23 HZ1 LYS 23 -29.943 19.522 -25.748
150 HZ2 LYS 23 HZ2 LYS 23 -28.541 20.454 -25.862
151 HZ3 LYS 23 HZ3 LYS 23 -29.871 20.806 -26.838
152 H LYS 24 H LYS 24 -35.298 19.729 -22.141
153 HA LYS 24 HA LYS 24 -34.985 19.090 -20.010
154 HB2 LYS 24 HB2 LYS 24 -34.466 16.338 -21.215
155 HB3 LYS 24 HB3 LYS 24 -34.771 16.648 -19.509
156 HG2 LYS 24 HG2 LYS 24 -37.047 17.441 -20.037
157 HG3 LYS 24 HG3 LYS 24 -36.733 17.211 -21.758
158 HD2 LYS 24 HD2 LYS 24 -38.075 15.353 -20.844
159 HD3 LYS 24 HD3 LYS 24 -36.506 14.784 -21.420
160 HE2 LYS 24 HE2 LYS 24 -35.675 14.838 -19.062
161 HE3 LYS 24 HE3 LYS 24 -37.301 15.283 -18.534
162 HZ1 LYS 24 HZ1 LYS 24 -38.141 13.207 -19.335
163 HZ2 LYS 24 HZ2 LYS 24 -36.808 12.875 -18.353
164 HZ3 LYS 24 HZ3 LYS 24 -36.657 12.797 -20.034
165 H GLY 25 H GLY 25 -33.181 17.404 -18.705
166 HA2 GLY 25 HA2 GLY 25 -31.005 17.172 -18.019
167 HA3 GLY 25 HA3 GLY 25 -30.484 17.674 -19.623
168 H GLY 26 H GLY 26 -28.837 19.034 -18.883
169 HA2 GLY 26 HA2 GLY 26 -27.918 21.075 -18.362
170 HA3 GLY 26 HA3 GLY 26 -29.540 21.749 -18.436
171 H GLU 27 H GLU 27 -28.737 19.148 -16.260
172 HA GLU 27 HA GLU 27 -29.521 20.727 -13.927
173 HB2 GLU 27 HB2 GLU 27 -28.753 17.781 -14.159
174 HB3 GLU 27 HB3 GLU 27 -29.519 18.543 -12.764
175 HG2 GLU 27 HG2 GLU 27 -31.561 18.873 -13.950
176 HG3 GLU 27 HG3 GLU 27 -30.800 18.491 -15.494
177 HA PRO 28 HA PRO 28 -25.045 21.599 -13.158
178 HB2 PRO 28 HB2 PRO 28 -26.176 22.510 -10.507
179 HB3 PRO 28 HB3 PRO 28 -25.100 23.373 -11.629
180 HG2 PRO 28 HG2 PRO 28 -27.653 24.070 -11.464
181 HG3 PRO 28 HG3 PRO 28 -26.843 24.005 -13.049
182 HD2 PRO 28 HD2 PRO 28 -28.731 22.008 -11.814
183 HD3 PRO 28 HD3 PRO 28 -28.663 22.614 -13.487
184 HA PRO 29 HA PRO 29 -24.709 17.564 -11.062
185 HB2 PRO 29 HB2 PRO 29 -22.033 17.102 -11.503
186 HB3 PRO 29 HB3 PRO 29 -23.253 16.929 -12.778
187 HG2 PRO 29 HG2 PRO 29 -21.399 19.217 -12.250
188 HG3 PRO 29 HG3 PRO 29 -21.836 18.458 -13.796
189 HD2 PRO 29 HD2 PRO 29 -22.971 20.787 -12.952
190 HD3 PRO 29 HD3 PRO 29 -23.845 19.610 -13.957
191 H ALA 30 H ALA 30 -24.857 17.594 -8.881
192 HA ALA 30 HA ALA 30 -23.331 19.315 -7.168
193 HB1 ALA 30 HB1 ALA 30 -24.487 18.155 -5.305
194 HB2 ALA 30 HB2 ALA 30 -25.125 16.966 -6.443
195 HB3 ALA 30 HB3 ALA 30 -25.624 18.651 -6.563
196 H LEU 31 H LEU 31 -21.172 18.871 -7.516
197 HA LEU 31 HA LEU 31 -20.036 16.214 -7.192
198 HB2 LEU 31 HB2 LEU 31 -18.627 18.896 -7.484
199 HB3 LEU 31 HB3 LEU 31 -17.889 17.313 -7.673
200 HG LEU 31 HG LEU 31 -19.980 18.549 -9.508
201 HD11 LEU 31 HD11 LEU 31 -18.185 18.622 -11.186
202 HD12 LEU 31 HD12 LEU 31 -17.037 18.006 -9.993
203 HD13 LEU 31 HD13 LEU 31 -17.792 19.584 -9.758
204 HD21 LEU 31 HD21 LEU 31 -20.338 16.128 -9.399
205 HD22 LEU 31 HD22 LEU 31 -18.637 15.832 -9.764
206 HD23 LEU 31 HD23 LEU 31 -19.681 16.585 -10.973
207 H ILE 32 H ILE 32 -21.354 17.973 -4.947
208 HA ILE 32 HA ILE 32 -19.410 18.212 -2.855
209 HB ILE 32 HB ILE 32 -21.365 18.667 -1.385
210 HG12 ILE 32 HG12 ILE 32 -23.086 18.038 -3.839
211 HG13 ILE 32 HG13 ILE 32 -22.940 17.005 -2.425
212 HG21 ILE 32 HG21 ILE 32 -21.543 20.136 -4.044
213 HG22 ILE 32 HG22 ILE 32 -20.443 20.522 -2.719
214 HG23 ILE 32 HG23 ILE 32 -22.181 20.713 -2.500
215 HD11 ILE 32 HD11 ILE 32 -25.018 18.226 -2.379
216 HD12 ILE 32 HD12 ILE 32 -24.162 19.761 -2.497
217 HD13 ILE 32 HD13 ILE 32 -23.984 18.761 -1.054
218 H VAL 33 H VAL 33 -20.456 15.508 -4.276
219 HA VAL 33 HA VAL 33 -21.200 13.703 -2.255
220 HB VAL 33 HB VAL 33 -20.604 11.922 -3.855
221 HG11 VAL 33 HG11 VAL 33 -22.758 13.048 -4.109
222 HG12 VAL 33 HG12 VAL 33 -22.129 12.563 -5.682
223 HG13 VAL 33 HG13 VAL 33 -22.035 14.254 -5.180
224 HG21 VAL 33 HG21 VAL 33 -19.650 12.457 -6.074
225 HG22 VAL 33 HG22 VAL 33 -18.521 12.822 -4.769
226 HG23 VAL 33 HG23 VAL 33 -19.399 14.130 -5.569
227 H ASP 34 H ASP 34 -18.146 15.129 -2.895
228 HA ASP 34 HA ASP 34 -16.934 13.637 -0.715
229 HB2 ASP 34 HB2 ASP 34 -16.403 12.209 -2.652
230 HB3 ASP 34 HB3 ASP 34 -15.716 13.579 -3.511
231 HA PRO 35 HA PRO 35 -15.149 17.884 -0.644
232 HB2 PRO 35 HB2 PRO 35 -16.440 18.939 1.467
233 HB3 PRO 35 HB3 PRO 35 -17.228 18.828 -0.119
234 HG2 PRO 35 HG2 PRO 35 -17.695 17.203 2.321
235 HG3 PRO 35 HG3 PRO 35 -18.822 17.657 1.028
236 HD2 PRO 35 HD2 PRO 35 -17.402 15.179 1.288
237 HD3 PRO 35 HD3 PRO 35 -18.447 15.690 -0.053
238 H LEU 36 H LEU 36 -14.827 15.067 1.001
239 HA LEU 36 HA LEU 36 -13.134 16.183 3.179
240 HB2 LEU 36 HB2 LEU 36 -15.288 14.926 3.776
241 HB3 LEU 36 HB3 LEU 36 -14.506 13.466 3.221
242 HG LEU 36 HG LEU 36 -13.347 15.157 5.473
243 HD11 LEU 36 HD11 LEU 36 -14.485 13.711 7.101
244 HD12 LEU 36 HD12 LEU 36 -15.330 12.877 5.793
245 HD13 LEU 36 HD13 LEU 36 -15.643 14.586 6.099
246 HD21 LEU 36 HD21 LEU 36 -12.939 12.219 4.798
247 HD22 LEU 36 HD22 LEU 36 -12.251 13.066 6.186
248 HD23 LEU 36 HD23 LEU 36 -11.774 13.523 4.555
249 H MET 37 H MET 37 -13.377 13.861 0.561
250 HA MET 37 HA MET 37 -11.879 12.797 -0.719
251 HB2 MET 37 HB2 MET 37 -10.138 14.461 -0.481
252 HB3 MET 37 HB3 MET 37 -9.721 13.876 1.125
253 HG2 MET 37 HG2 MET 37 -8.927 11.749 0.115
254 HG3 MET 37 HG3 MET 37 -9.291 12.392 -1.485
255 HE1 MET 37 HE1 MET 37 -6.642 11.615 -1.917
256 HE2 MET 37 HE2 MET 37 -6.375 11.275 -0.207
257 HE3 MET 37 HE3 MET 37 -5.289 12.365 -1.070
258 H LYS 38 H LYS 38 -11.237 12.357 2.749
259 HA LYS 38 HA LYS 38 -10.815 10.598 4.070
260 HB2 LYS 38 HB2 LYS 38 -12.290 8.965 1.964
261 HB3 LYS 38 HB3 LYS 38 -11.764 8.324 3.506
262 HG2 LYS 38 HG2 LYS 38 -13.981 8.752 3.971
263 HG3 LYS 38 HG3 LYS 38 -13.245 10.258 4.522
264 HD2 LYS 38 HD2 LYS 38 -15.301 10.679 3.242
265 HD3 LYS 38 HD3 LYS 38 -13.898 11.347 2.398
266 HE2 LYS 38 HE2 LYS 38 -13.895 9.523 0.818
267 HE3 LYS 38 HE3 LYS 38 -15.101 8.630 1.754
268 HZ1 LYS 38 HZ1 LYS 38 -16.728 10.313 1.257
269 HZ2 LYS 38 HZ2 LYS 38 -16.049 9.777 -0.195
270 HZ3 LYS 38 HZ3 LYS 38 -15.583 11.264 0.464
271 H TYR 39 H TYR 39 -9.749 8.272 4.084
272 HA TYR 39 HA TYR 39 -7.249 8.501 2.569
273 HB2 TYR 39 HB2 TYR 39 -8.115 6.785 4.921
274 HB3 TYR 39 HB3 TYR 39 -6.565 6.582 4.113
275 HD1 TYR 39 HD1 TYR 39 -8.599 9.060 6.079
276 HD2 TYR 39 HD2 TYR 39 -4.726 7.968 4.656
277 HE1 TYR 39 HE1 TYR 39 -7.590 10.813 7.482
278 HE2 TYR 39 HE2 TYR 39 -3.718 9.712 6.053
279 HH TYR 39 HH TYR 39 -4.290 11.759 7.169
280 H ILE 40 H ILE 40 -8.677 8.046 0.659
281 HA ILE 40 HA ILE 40 -9.354 5.317 0.047
282 HB ILE 40 HB ILE 40 -9.333 6.329 -2.440
283 HG12 ILE 40 HG12 ILE 40 -9.988 8.770 -2.465
284 HG13 ILE 40 HG13 ILE 40 -9.517 8.896 -0.776
285 HG21 ILE 40 HG21 ILE 40 -11.665 6.983 -2.208
286 HG22 ILE 40 HG22 ILE 40 -11.499 7.053 -0.449
287 HG23 ILE 40 HG23 ILE 40 -11.321 5.512 -1.297
288 HD11 ILE 40 HD11 ILE 40 -7.828 9.816 -2.275
289 HD12 ILE 40 HD12 ILE 40 -7.682 8.264 -3.096
290 HD13 ILE 40 HD13 ILE 40 -7.189 8.417 -1.409
291 H CYS 41 H CYS 41 -8.369 4.078 -1.696
292 HA CYS 41 HA CYS 41 -5.520 4.035 -1.767
293 HB2 CYS 41 HB2 CYS 41 -6.972 2.026 -2.179
294 HB3 CYS 41 HB3 CYS 41 -7.503 2.753 -3.691
295 H HIS 42 H HIS 42 -4.434 5.646 -2.667
296 HA HIS 42 HA HIS 42 -5.718 7.719 -4.135
297 HB2 HIS 42 HB2 HIS 42 -3.713 7.914 -2.501
298 HB3 HIS 42 HB3 HIS 42 -2.696 7.464 -3.862
299 HD1 HIS 42 HD1 HIS 42 -1.857 9.977 -2.901
300 HD2 HIS 42 HD2 HIS 42 -5.211 9.806 -5.345
301 HE1 HIS 42 HE1 HIS 42 -2.147 12.299 -3.799
302 HE2 HIS 42 HE2 HIS 42 -4.122 12.148 -5.362
303 H ILE 43 H ILE 43 -4.334 4.820 -5.282
304 HA ILE 43 HA ILE 43 -3.772 5.830 -8.000
305 HB ILE 43 HB ILE 43 -3.275 3.073 -6.764
306 HG12 ILE 43 HG12 ILE 43 -1.345 5.324 -7.519
307 HG13 ILE 43 HG13 ILE 43 -1.781 4.846 -5.884
308 HG21 ILE 43 HG21 ILE 43 -2.070 2.501 -8.850
309 HG22 ILE 43 HG22 ILE 43 -2.504 4.067 -9.542
310 HG23 ILE 43 HG23 ILE 43 -3.761 2.882 -9.190
311 HD11 ILE 43 HD11 ILE 43 -0.229 3.209 -7.873
312 HD12 ILE 43 HD12 ILE 43 -0.733 2.657 -6.274
313 HD13 ILE 43 HD13 ILE 43 0.392 4.008 -6.429
314 H CYS 44 H CYS 44 -6.172 4.183 -6.141
315 HA CYS 44 HA CYS 44 -7.483 2.880 -8.410
316 HB2 CYS 44 HB2 CYS 44 -8.153 2.899 -5.437
317 HB3 CYS 44 HB3 CYS 44 -9.038 1.992 -6.669
318 H ASN 45 H ASN 45 -8.398 5.210 -5.836
319 HA ASN 45 HA ASN 45 -9.823 6.923 -5.699
320 HB2 ASN 45 HB2 ASN 45 -9.264 7.692 -7.965
321 HB3 ASN 45 HB3 ASN 45 -10.422 6.569 -8.659
322 HD21 ASN 45 HD21 ASN 45 -10.018 9.571 -6.950
323 HD22 ASN 45 HD22 ASN 45 -11.649 10.120 -7.098
324 H ARG 46 H ARG 46 -11.075 4.069 -7.398
325 HA ARG 46 HA ARG 46 -13.757 4.137 -6.833
326 HB2 ARG 46 HB2 ARG 46 -12.786 2.421 -8.248
327 HB3 ARG 46 HB3 ARG 46 -11.827 1.782 -6.925
328 HG2 ARG 46 HG2 ARG 46 -13.781 0.871 -5.848
329 HG3 ARG 46 HG3 ARG 46 -14.861 1.687 -6.982
330 HD2 ARG 46 HD2 ARG 46 -14.059 0.298 -8.815
331 HD3 ARG 46 HD3 ARG 46 -12.834 -0.427 -7.773
332 HE ARG 46 HE ARG 46 -14.725 -1.385 -6.464
333 HH11 ARG 46 HH11 ARG 46 -15.260 -0.544 -9.834
334 HH12 ARG 46 HH12 ARG 46 -16.539 -1.701 -10.036
335 HH21 ARG 46 HH21 ARG 46 -16.376 -2.915 -6.750
336 HH22 ARG 46 HH22 ARG 46 -17.173 -3.043 -8.286
337 H GLY 47 H GLY 47 -11.337 2.433 -4.809
338 HA2 GLY 47 HA2 GLY 47 -11.038 2.526 -2.514
339 HA3 GLY 47 HA3 GLY 47 -12.476 3.520 -2.357
340 H ASP 48 H ASP 48 -12.320 0.368 -4.000
341 HA ASP 48 HA ASP 48 -13.986 -0.863 -1.887
342 HB2 ASP 48 HB2 ASP 48 -14.566 -2.587 -3.454
343 HB3 ASP 48 HB3 ASP 48 -14.649 -1.076 -4.348
344 H VAL 49 H VAL 49 -13.411 -3.241 -1.436
345 HA VAL 49 HA VAL 49 -12.125 -4.632 -0.225
346 HB VAL 49 HB VAL 49 -9.850 -4.014 -2.166
347 HG11 VAL 49 HG11 VAL 49 -9.110 -6.314 -1.687
348 HG12 VAL 49 HG12 VAL 49 -10.452 -6.526 -0.560
349 HG13 VAL 49 HG13 VAL 49 -9.182 -5.354 -0.208
350 HG21 VAL 49 HG21 VAL 49 -12.140 -5.987 -2.516
351 HG22 VAL 49 HG22 VAL 49 -10.728 -5.861 -3.570
352 HG23 VAL 49 HG23 VAL 49 -11.869 -4.520 -3.456
353 H GLU 50 H GLU 50 -12.451 -2.736 1.235
354 HA GLU 50 HA GLU 50 -10.425 -0.928 1.949
355 HB2 GLU 50 HB2 GLU 50 -11.710 -0.440 3.944
356 HB3 GLU 50 HB3 GLU 50 -12.794 -0.606 2.580
357 HG2 GLU 50 HG2 GLU 50 -12.339 -2.748 4.675
358 HG3 GLU 50 HG3 GLU 50 -13.647 -1.575 4.710
359 H GLU 51 H GLU 51 -10.913 -4.251 2.888
360 HA GLU 51 HA GLU 51 -9.296 -4.258 5.243
361 HB2 GLU 51 HB2 GLU 51 -10.127 -6.548 3.420
362 HB3 GLU 51 HB3 GLU 51 -9.407 -6.743 5.017
363 HG2 GLU 51 HG2 GLU 51 -11.356 -5.715 6.066
364 HG3 GLU 51 HG3 GLU 51 -12.050 -5.350 4.492
365 H SER 52 H SER 52 -8.462 -4.298 1.871
366 HA SER 52 HA SER 52 -5.698 -5.221 2.426
367 HB2 SER 52 HB2 SER 52 -7.127 -4.833 -0.241
368 HB3 SER 52 HB3 SER 52 -5.480 -5.444 -0.040
369 HG SER 52 HG SER 52 -7.732 -6.648 1.173
370 H MET 53 H MET 53 -7.151 -2.432 2.800
371 HA MET 53 HA MET 53 -5.404 -0.682 1.246
372 HB2 MET 53 HB2 MET 53 -7.533 -0.084 3.339
373 HB3 MET 53 HB3 MET 53 -6.550 1.162 2.580
374 HG2 MET 53 HG2 MET 53 -7.448 0.532 0.388
375 HG3 MET 53 HG3 MET 53 -8.446 -0.705 1.161
376 HE1 MET 53 HE1 MET 53 -10.678 0.285 0.103
377 HE2 MET 53 HE2 MET 53 -9.703 1.490 -0.744
378 HE3 MET 53 HE3 MET 53 -11.114 1.993 0.188
379 H LEU 54 H LEU 54 -3.355 -0.499 1.878
380 HA LEU 54 HA LEU 54 -2.533 -0.637 4.697
381 HB2 LEU 54 HB2 LEU 54 -0.899 -0.352 2.133
382 HB3 LEU 54 HB3 LEU 54 -0.203 -0.347 3.744
383 HG LEU 54 HG LEU 54 -1.121 -2.694 4.063
384 HD11 LEU 54 HD11 LEU 54 -2.848 -2.698 2.345
385 HD12 LEU 54 HD12 LEU 54 -1.707 -4.016 2.109
386 HD13 LEU 54 HD13 LEU 54 -1.619 -2.583 1.080
387 HD21 LEU 54 HD21 LEU 54 0.903 -2.304 1.844
388 HD22 LEU 54 HD22 LEU 54 0.682 -3.768 2.806
389 HD23 LEU 54 HD23 LEU 54 1.233 -2.284 3.579
390 H LEU 55 H LEU 55 -1.973 1.130 5.850
391 HA LEU 55 HA LEU 55 -2.289 3.785 4.597
392 HB2 LEU 55 HB2 LEU 55 -3.568 2.802 6.805
393 HB3 LEU 55 HB3 LEU 55 -2.167 3.490 7.595
394 HG LEU 55 HG LEU 55 -4.044 5.081 7.632
395 HD11 LEU 55 HD11 LEU 55 -1.797 6.083 7.465
396 HD12 LEU 55 HD12 LEU 55 -3.002 7.081 6.654
397 HD13 LEU 55 HD13 LEU 55 -1.908 6.069 5.705
398 HD21 LEU 55 HD21 LEU 55 -4.010 4.941 4.597
399 HD22 LEU 55 HD22 LEU 55 -5.058 5.964 5.584
400 HD23 LEU 55 HD23 LEU 55 -5.227 4.212 5.644
401 H CYS 56 H CYS 56 -0.398 4.750 4.093
402 HA CYS 56 HA CYS 56 2.134 3.926 5.091
403 HB2 CYS 56 HB2 CYS 56 1.943 5.014 2.898
404 HB3 CYS 56 HB3 CYS 56 1.348 6.492 3.654
405 H ASP 57 H ASP 57 2.830 4.272 7.037
406 HA ASP 57 HA ASP 57 1.773 5.924 9.017
407 HB2 ASP 57 HB2 ASP 57 3.060 3.922 9.525
408 HB3 ASP 57 HB3 ASP 57 4.498 4.590 8.767
409 H GLY 58 H GLY 58 4.110 6.636 6.550
410 HA2 GLY 58 HA2 GLY 58 4.473 9.404 7.556
411 HA3 GLY 58 HA3 GLY 58 5.657 8.542 6.597
412 H CYS 59 H CYS 59 2.153 8.730 6.083
413 HA CYS 59 HA CYS 59 2.327 10.878 4.098
414 HB2 CYS 59 HB2 CYS 59 1.336 8.117 3.249
415 HB3 CYS 59 HB3 CYS 59 1.142 9.595 2.315
416 H ASP 60 H ASP 60 -0.016 10.949 3.042
417 HA ASP 60 HA ASP 60 -2.073 10.733 5.156
418 HB2 ASP 60 HB2 ASP 60 -1.325 13.062 4.486
419 HB3 ASP 60 HB3 ASP 60 -1.867 12.729 2.850
420 H ASP 61 H ASP 61 -1.099 8.806 3.100
421 HA ASP 61 HA ASP 61 -3.379 8.616 1.225
422 HB2 ASP 61 HB2 ASP 61 -0.468 7.876 0.692
423 HB3 ASP 61 HB3 ASP 61 -1.793 7.780 -0.464
424 H SER 62 H SER 62 -4.126 6.606 0.751
425 HA SER 62 HA SER 62 -2.999 4.268 2.169
426 HB2 SER 62 HB2 SER 62 -5.340 4.817 2.871
427 HB3 SER 62 HB3 SER 62 -5.870 4.660 1.196
428 HG SER 62 HG SER 62 -4.595 2.596 2.674
429 H TYR 63 H TYR 63 -2.611 2.442 0.916
430 HA TYR 63 HA TYR 63 -3.256 2.437 -1.962
431 HB2 TYR 63 HB2 TYR 63 -0.481 1.849 -0.822
432 HB3 TYR 63 HB3 TYR 63 -0.952 1.637 -2.507
433 HD1 TYR 63 HD2 TYR 63 -1.650 3.737 -3.828
434 HD2 TYR 63 HD1 TYR 63 0.378 3.937 -0.078
435 HE1 TYR 63 HE2 TYR 63 -1.014 6.063 -4.290
436 HE2 TYR 63 HE1 TYR 63 1.020 6.261 -0.550
437 HH TYR 63 HH TYR 63 1.304 7.752 -2.426
438 H HIS 64 H HIS 64 -3.743 0.399 -2.687
439 HA HIS 64 HA HIS 64 -4.032 -1.764 -0.787
440 HB2 HIS 64 HB2 HIS 64 -4.441 -1.689 -3.800
441 HB3 HIS 64 HB3 HIS 64 -4.773 -3.098 -2.804
442 HD2 HIS 64 HD2 HIS 64 -6.752 -2.484 -0.701
443 HE1 HIS 64 HE1 HIS 64 -8.780 0.042 -3.386
444 HE2 HIS 64 HE2 HIS 64 -9.020 -1.445 -1.370
445 H THR 65 H THR 65 -3.083 -3.849 -1.070
446 HA THR 65 HA THR 65 -0.348 -4.121 -1.321
447 HB THR 65 HB THR 65 -0.902 -6.604 -1.715
448 HG1 THR 65 HG1 THR 65 -2.887 -7.120 -2.241
449 HG21 THR 65 HG21 THR 65 -2.380 -5.267 0.580
450 HG22 THR 65 HG22 THR 65 -0.677 -5.724 0.590
451 HG23 THR 65 HG23 THR 65 -1.919 -6.972 0.497
452 H PHE 66 H PHE 66 -2.829 -4.728 -3.776
453 HA PHE 66 HA PHE 66 -0.989 -5.567 -5.831
454 HB2 PHE 66 HB2 PHE 66 -3.132 -5.738 -7.222
455 HB3 PHE 66 HB3 PHE 66 -3.039 -6.759 -5.796
456 HD1 PHE 66 HD2 PHE 66 -4.755 -3.824 -7.291
457 HD2 PHE 66 HD1 PHE 66 -4.543 -6.407 -3.889
458 HE1 PHE 66 HE2 PHE 66 -6.925 -2.964 -6.493
459 HE2 PHE 66 HE1 PHE 66 -6.708 -5.544 -3.102
460 HZ PHE 66 HZ PHE 66 -7.898 -3.819 -4.395
461 H CYS 67 H CYS 67 -2.379 -2.512 -4.921
462 HA CYS 67 HA CYS 67 -2.407 -1.247 -7.494
463 HB2 CYS 67 HB2 CYS 67 -2.413 -0.058 -4.695
464 HB3 CYS 67 HB3 CYS 67 -2.664 0.877 -6.177
465 H LEU 68 H LEU 68 0.152 -2.080 -5.453
466 HA LEU 68 HA LEU 68 1.993 -0.002 -6.521
467 HB2 LEU 68 HB2 LEU 68 2.130 -1.627 -3.958
468 HB3 LEU 68 HB3 LEU 68 3.379 -0.508 -4.493
469 HG LEU 68 HG LEU 68 0.520 0.280 -3.809
470 HD11 LEU 68 HD11 LEU 68 1.716 -0.489 -1.843
471 HD12 LEU 68 HD12 LEU 68 1.471 1.252 -1.778
472 HD13 LEU 68 HD13 LEU 68 3.059 0.602 -2.196
473 HD21 LEU 68 HD21 LEU 68 1.511 1.785 -5.465
474 HD22 LEU 68 HD22 LEU 68 2.928 2.021 -4.441
475 HD23 LEU 68 HD23 LEU 68 1.348 2.596 -3.906
476 H LEU 69 H LEU 69 4.229 -0.717 -6.942
477 HA LEU 69 HA LEU 69 4.504 -3.621 -7.400
478 HB2 LEU 69 HB2 LEU 69 5.910 -3.166 -9.359
479 HB3 LEU 69 HB3 LEU 69 4.294 -2.535 -9.538
480 HG LEU 69 HG LEU 69 5.410 -0.236 -8.813
481 HD11 LEU 69 HD11 LEU 69 7.827 -1.667 -9.958
482 HD12 LEU 69 HD12 LEU 69 7.650 -1.086 -8.302
483 HD13 LEU 69 HD13 LEU 69 7.698 0.064 -9.634
484 HD21 LEU 69 HD21 LEU 69 5.774 0.303 -11.183
485 HD22 LEU 69 HD22 LEU 69 4.298 -0.628 -10.941
486 HD23 LEU 69 HD23 LEU 69 5.741 -1.420 -11.579
487 HA PRO 70 HA PRO 70 5.925 -5.234 -7.431
488 HB2 PRO 70 HB2 PRO 70 6.954 -6.985 -5.587
489 HB3 PRO 70 HB3 PRO 70 7.948 -6.252 -6.859
490 HG2 PRO 70 HG2 PRO 70 7.721 -5.477 -3.977
491 HG3 PRO 70 HG3 PRO 70 9.170 -5.609 -5.000
492 HD2 PRO 70 HD2 PRO 70 7.941 -3.218 -4.450
493 HD3 PRO 70 HD3 PRO 70 8.865 -3.518 -5.938
494 HA PRO 71 HA PRO 71 2.091 -5.198 -5.048
495 HB2 PRO 71 HB2 PRO 71 0.946 -7.517 -6.095
496 HB3 PRO 71 HB3 PRO 71 0.943 -5.948 -6.918
497 HG2 PRO 71 HG2 PRO 71 2.783 -8.276 -7.322
498 HG3 PRO 71 HG3 PRO 71 2.005 -7.226 -8.530
499 HD2 PRO 71 HD2 PRO 71 4.579 -6.869 -7.862
500 HD3 PRO 71 HD3 PRO 71 3.518 -5.483 -8.200
501 H LEU 72 H LEU 72 1.489 -5.992 -3.063
502 HA LEU 72 HA LEU 72 3.294 -7.939 -1.830
503 HB2 LEU 72 HB2 LEU 72 1.206 -6.103 -0.586
504 HB3 LEU 72 HB3 LEU 72 2.413 -7.026 0.295
505 HG LEU 72 HG LEU 72 3.005 -4.740 -1.630
506 HD11 LEU 72 HD11 LEU 72 1.934 -3.920 0.409
507 HD12 LEU 72 HD12 LEU 72 3.621 -3.420 0.340
508 HD13 LEU 72 HD13 LEU 72 3.138 -4.746 1.400
509 HD21 LEU 72 HD21 LEU 72 4.922 -6.308 0.131
510 HD22 LEU 72 HD22 LEU 72 5.333 -4.876 -0.818
511 HD23 LEU 72 HD23 LEU 72 4.834 -6.356 -1.631
512 H THR 73 H THR 73 2.659 -9.923 -1.127
513 HA THR 73 HA THR 73 0.113 -11.032 -1.872
514 HB THR 73 HB THR 73 1.035 -13.115 -0.736
515 HG1 THR 73 HG1 THR 73 2.945 -13.026 0.283
516 HG21 THR 73 HG21 THR 73 2.816 -13.534 -2.404
517 HG22 THR 73 HG22 THR 73 2.880 -11.814 -2.789
518 HG23 THR 73 HG23 THR 73 1.429 -12.747 -3.158
519 H SER 74 H SER 74 1.197 -9.369 0.857
520 HA SER 74 HA SER 74 -1.197 -9.808 2.393
521 HB2 SER 74 HB2 SER 74 1.490 -10.711 3.552
522 HB3 SER 74 HB3 SER 74 -0.004 -10.566 4.479
523 HG SER 74 HG SER 74 -0.729 -12.079 2.564
524 H ILE 75 H ILE 75 -1.032 -8.451 4.488
525 HA ILE 75 HA ILE 75 0.236 -5.867 3.949
526 HB ILE 75 HB ILE 75 -1.499 -6.752 6.314
527 HG12 ILE 75 HG12 ILE 75 -2.255 -5.009 3.917
528 HG13 ILE 75 HG13 ILE 75 -2.716 -6.691 4.122
529 HG21 ILE 75 HG21 ILE 75 -0.525 -3.958 5.591
530 HG22 ILE 75 HG22 ILE 75 0.023 -4.927 6.959
531 HG23 ILE 75 HG23 ILE 75 -1.641 -4.343 6.904
532 HD11 ILE 75 HD11 ILE 75 -3.562 -4.412 5.890
533 HD12 ILE 75 HD12 ILE 75 -4.022 -6.105 6.084
534 HD13 ILE 75 HD13 ILE 75 -4.535 -5.211 4.655
535 HA PRO 76 HA PRO 76 3.773 -7.679 6.221
536 HB2 PRO 76 HB2 PRO 76 5.577 -5.662 5.730
537 HB3 PRO 76 HB3 PRO 76 5.117 -6.851 4.496
538 HG2 PRO 76 HG2 PRO 76 4.126 -4.052 4.872
539 HG3 PRO 76 HG3 PRO 76 4.596 -4.890 3.373
540 HD2 PRO 76 HD2 PRO 76 1.998 -4.604 4.137
541 HD3 PRO 76 HD3 PRO 76 2.568 -6.001 3.198
542 H LYS 77 H LYS 77 2.956 -7.620 8.280
543 HA LYS 77 HA LYS 77 3.075 -7.173 10.483
544 HB2 LYS 77 HB2 LYS 77 5.355 -6.337 10.104
545 HB3 LYS 77 HB3 LYS 77 4.724 -4.749 9.699
546 HG2 LYS 77 HG2 LYS 77 3.829 -4.606 12.071
547 HG3 LYS 77 HG3 LYS 77 4.703 -6.100 12.415
548 HD2 LYS 77 HD2 LYS 77 5.921 -3.460 11.516
549 HD3 LYS 77 HD3 LYS 77 6.045 -4.183 13.123
550 HE2 LYS 77 HE2 LYS 77 7.323 -6.062 12.213
551 HE3 LYS 77 HE3 LYS 77 7.148 -5.421 10.577
552 HZ1 LYS 77 HZ1 LYS 77 8.416 -3.485 11.231
553 HZ2 LYS 77 HZ2 LYS 77 9.309 -4.885 11.532
554 HZ3 LYS 77 HZ3 LYS 77 8.561 -4.064 12.806
555 H GLY 78 H GLY 78 2.834 -3.878 9.098
556 HA2 GLY 78 HA2 GLY 78 0.258 -3.170 9.255
557 HA3 GLY 78 HA3 GLY 78 0.705 -3.144 10.965
558 H GLU 79 H GLU 79 3.247 -2.214 10.938
559 HA GLU 79 HA GLU 79 3.074 0.582 10.263
560 HB2 GLU 79 HB2 GLU 79 5.435 -1.092 11.238
561 HB3 GLU 79 HB3 GLU 79 5.462 0.661 11.062
562 HG2 GLU 79 HG2 GLU 79 3.702 0.859 12.771
563 HG3 GLU 79 HG3 GLU 79 3.678 -0.895 12.941
564 H TRP 80 H TRP 80 2.697 0.403 7.950
565 HA TRP 80 HA TRP 80 5.001 -0.494 6.338
566 HB2 TRP 80 HB2 TRP 80 2.946 -1.654 5.717
567 HB3 TRP 80 HB3 TRP 80 2.051 -0.137 5.634
568 HD1 TRP 80 HD1 TRP 80 4.823 -2.056 3.696
569 HE1 TRP 80 HE1 TRP 80 4.857 -1.151 1.288
570 HE3 TRP 80 HE3 TRP 80 1.420 1.717 4.210
571 HZ2 TRP 80 HZ2 TRP 80 3.602 0.891 -0.186
572 HZ3 TRP 80 HZ3 TRP 80 0.884 3.113 2.243
573 HH2 TRP 80 HH2 TRP 80 1.959 2.702 0.088
574 H LEU 81 H LEU 81 6.056 0.978 5.102
575 HA LEU 81 HA LEU 81 5.138 3.796 5.025
576 HB2 LEU 81 HB2 LEU 81 7.941 2.610 4.848
577 HB3 LEU 81 HB3 LEU 81 7.580 4.301 4.565
578 HG LEU 81 HG LEU 81 7.235 2.835 7.207
579 HD11 LEU 81 HD11 LEU 81 9.601 3.232 6.639
580 HD12 LEU 81 HD12 LEU 81 9.105 4.229 8.003
581 HD13 LEU 81 HD13 LEU 81 9.272 4.951 6.401
582 HD21 LEU 81 HD21 LEU 81 6.741 5.763 6.550
583 HD22 LEU 81 HD22 LEU 81 6.697 5.045 8.165
584 HD23 LEU 81 HD23 LEU 81 5.513 4.559 6.954
585 H CYS 82 H CYS 82 5.060 4.825 3.034
586 HA CYS 82 HA CYS 82 4.736 3.322 0.655
587 HB2 CYS 82 HB2 CYS 82 4.524 5.534 -0.440
588 HB3 CYS 82 HB3 CYS 82 3.596 5.486 1.052
589 HA PRO 83 HA PRO 83 8.909 3.010 -1.079
590 HB2 PRO 83 HB2 PRO 83 8.509 4.053 -3.675
591 HB3 PRO 83 HB3 PRO 83 8.237 2.372 -3.179
592 HG2 PRO 83 HG2 PRO 83 6.245 4.598 -3.432
593 HG3 PRO 83 HG3 PRO 83 6.094 2.886 -3.892
594 HD2 PRO 83 HD2 PRO 83 4.948 3.765 -1.653
595 HD3 PRO 83 HD3 PRO 83 5.758 2.179 -1.678
596 H ARG 84 H ARG 84 7.214 6.066 -1.268
597 HA ARG 84 HA ARG 84 9.446 7.770 -1.843
598 HB2 ARG 84 HB2 ARG 84 6.747 8.444 -0.575
599 HB3 ARG 84 HB3 ARG 84 7.873 9.608 -1.271
600 HG2 ARG 84 HG2 ARG 84 7.545 8.600 -3.500
601 HG3 ARG 84 HG3 ARG 84 6.463 7.399 -2.800
602 HD2 ARG 84 HD2 ARG 84 4.898 9.220 -2.154
603 HD3 ARG 84 HD3 ARG 84 5.963 10.398 -2.935
604 HE ARG 84 HE ARG 84 4.493 8.219 -4.303
605 HH11 ARG 84 HH11 ARG 84 6.074 11.364 -4.488
606 HH12 ARG 84 HH12 ARG 84 5.583 11.638 -6.131
607 HH21 ARG 84 HH21 ARG 84 3.903 8.576 -6.437
608 HH22 ARG 84 HH22 ARG 84 4.351 10.054 -7.226
609 H CYS 85 H CYS 85 7.766 6.734 1.138
610 HA CYS 85 HA CYS 85 9.309 8.248 2.985
611 HB2 CYS 85 HB2 CYS 85 7.717 5.699 3.432
612 HB3 CYS 85 HB3 CYS 85 8.464 6.635 4.723
613 H VAL 86 H VAL 86 9.790 5.123 1.501
614 HA VAL 86 HA VAL 86 11.990 4.221 3.039
615 HB VAL 86 HB VAL 86 11.334 3.569 0.127
616 HG11 VAL 86 HG11 VAL 86 12.607 1.466 0.457
617 HG12 VAL 86 HG12 VAL 86 13.075 1.999 2.073
618 HG13 VAL 86 HG13 VAL 86 13.637 2.889 0.660
619 HG21 VAL 86 HG21 VAL 86 9.428 3.088 1.593
620 HG22 VAL 86 HG22 VAL 86 10.455 2.120 2.654
621 HG23 VAL 86 HG23 VAL 86 10.144 1.590 1.000
622 H VAL 87 H VAL 87 11.786 6.328 0.168
623 HA VAL 87 HA VAL 87 14.639 6.446 -0.284
624 HB VAL 87 HB VAL 87 12.390 8.138 -1.484
625 HG11 VAL 87 HG11 VAL 87 13.974 8.753 -3.282
626 HG12 VAL 87 HG12 VAL 87 15.268 7.888 -2.453
627 HG13 VAL 87 HG13 VAL 87 14.551 9.319 -1.711
628 HG21 VAL 87 HG21 VAL 87 13.821 5.701 -2.621
629 HG22 VAL 87 HG22 VAL 87 12.576 6.643 -3.446
630 HG23 VAL 87 HG23 VAL 87 12.172 5.732 -1.993
631 H GLU 88 H GLU 88 12.485 8.100 1.858
632 HA GLU 88 HA GLU 88 13.404 10.687 2.086
633 HB2 GLU 88 HB2 GLU 88 12.462 8.809 4.286
634 HB3 GLU 88 HB3 GLU 88 12.824 10.504 4.590
635 HG2 GLU 88 HG2 GLU 88 10.691 9.433 2.731
636 HG3 GLU 88 HG3 GLU 88 10.432 10.163 4.315
637 H GLU 89 H GLU 89 15.166 11.688 2.741
638 HA GLU 89 HA GLU 89 17.585 10.319 3.356
639 HB2 GLU 89 HB2 GLU 89 17.246 12.587 2.123
640 HB3 GLU 89 HB3 GLU 89 17.092 13.311 3.714
641 HG2 GLU 89 HG2 GLU 89 19.528 11.770 2.778
642 HG3 GLU 89 HG3 GLU 89 19.365 13.513 2.641
643 H VAL 90 H VAL 90 15.619 12.631 5.243
644 HA VAL 90 HA VAL 90 16.677 11.561 7.770
645 HB VAL 90 HB VAL 90 14.815 13.945 7.330
646 HG11 VAL 90 HG11 VAL 90 16.349 13.102 9.817
647 HG12 VAL 90 HG12 VAL 90 14.604 12.988 9.575
648 HG13 VAL 90 HG13 VAL 90 15.379 14.570 9.643
649 HG21 VAL 90 HG21 VAL 90 16.977 14.363 6.262
650 HG22 VAL 90 HG22 VAL 90 17.828 13.951 7.753
651 HG23 VAL 90 HG23 VAL 90 16.791 15.380 7.692
652 H SER 91 H SER 91 15.670 9.684 8.188
653 HA SER 91 HA SER 91 12.835 9.227 7.881
654 HB2 SER 91 HB2 SER 91 14.880 7.570 9.431
655 HB3 SER 91 HB3 SER 91 13.298 7.035 8.862
656 HG SER 91 HG SER 91 14.189 7.573 6.679
657 H LYS 92 H LYS 92 15.087 9.772 10.576
658 HA LYS 92 HA LYS 92 12.924 10.835 12.264
659 HB2 LYS 92 HB2 LYS 92 14.853 8.613 13.073
660 HB3 LYS 92 HB3 LYS 92 13.982 9.588 14.255
661 HG2 LYS 92 HG2 LYS 92 11.847 8.792 13.425
662 HG3 LYS 92 HG3 LYS 92 12.637 7.922 12.109
663 HD2 LYS 92 HD2 LYS 92 13.021 7.317 15.065
664 HD3 LYS 92 HD3 LYS 92 11.940 6.437 13.985
665 HE2 LYS 92 HE2 LYS 92 13.975 5.892 12.562
666 HE3 LYS 92 HE3 LYS 92 14.967 6.561 13.861
667 HZ1 LYS 92 HZ1 LYS 92 13.900 4.914 15.365
668 HZ2 LYS 92 HZ2 LYS 92 14.823 4.205 14.141
669 HZ3 LYS 92 HZ3 LYS 92 13.139 4.228 14.029
670 HA PRO 93 HA PRO 93 16.185 14.080 12.315
671 HB2 PRO 93 HB2 PRO 93 14.273 15.207 14.370
672 HB3 PRO 93 HB3 PRO 93 14.994 15.996 12.949
673 HG2 PRO 93 HG2 PRO 93 12.454 15.258 12.885
674 HG3 PRO 93 HG3 PRO 93 13.489 15.007 11.458
675 HD2 PRO 93 HD2 PRO 93 12.595 12.998 13.517
676 HD3 PRO 93 HD3 PRO 93 12.702 12.832 11.749
677 H GLN 94 H GLN 94 18.020 13.798 13.417
678 HA GLN 94 HA GLN 94 18.003 13.175 16.321
679 HB2 GLN 94 HB2 GLN 94 20.146 12.593 14.220
680 HB3 GLN 94 HB3 GLN 94 20.271 12.202 15.932
681 HG2 GLN 94 HG2 GLN 94 18.430 10.604 15.738
682 HG3 GLN 94 HG3 GLN 94 18.189 11.055 14.050
683 HE21 GLN 94 HE21 GLN 94 19.723 10.406 12.497
684 HE22 GLN 94 HE22 GLN 94 20.827 9.109 12.795
Start of MODEL 6
1 H1 SER 1 H1 SER 1 -13.829 71.379 38.394
2 H2 SER 1 H2 SER 1 -12.888 71.487 39.791
3 H3 SER 1 H3 SER 1 -13.605 70.020 39.373
4 HA SER 1 HA SER 1 -11.527 71.417 37.810
5 HB2 SER 1 HB2 SER 1 -10.042 69.523 38.578
6 HB3 SER 1 HB3 SER 1 -10.585 70.550 39.905
7 HG SER 1 HG SER 1 -10.899 68.473 40.573
8 H HIS 2 H HIS 2 -11.135 70.584 35.796
9 HA HIS 2 HA HIS 2 -12.285 67.976 35.031
10 HB2 HIS 2 HB2 HIS 2 -13.859 69.780 34.279
11 HB3 HIS 2 HB3 HIS 2 -12.554 70.527 33.368
12 HD2 HIS 2 HD2 HIS 2 -14.698 67.219 33.261
13 HE1 HIS 2 HE1 HIS 2 -13.101 68.009 29.427
14 HE2 HIS 2 HE2 HIS 2 -14.817 66.679 30.729
15 H MET 3 H MET 3 -10.334 66.979 34.952
16 HA MET 3 HA MET 3 -8.269 67.992 33.068
17 HB2 MET 3 HB2 MET 3 -7.906 66.417 35.658
18 HB3 MET 3 HB3 MET 3 -6.618 66.639 34.478
19 HG2 MET 3 HG2 MET 3 -6.316 68.215 36.269
20 HG3 MET 3 HG3 MET 3 -6.795 69.107 34.822
21 HE1 MET 3 HE1 MET 3 -6.919 70.546 37.595
22 HE2 MET 3 HE2 MET 3 -8.522 71.277 37.544
23 HE3 MET 3 HE3 MET 3 -7.512 71.277 36.100
24 H SER 4 H SER 4 -10.466 66.560 32.229
25 HA SER 4 HA SER 4 -10.007 63.735 32.012
26 HB2 SER 4 HB2 SER 4 -12.266 64.729 31.971
27 HB3 SER 4 HB3 SER 4 -11.891 65.568 30.465
28 HG SER 4 HG SER 4 -13.066 63.448 30.381
29 H GLY 5 H GLY 5 -8.943 66.511 30.224
30 HA2 GLY 5 HA2 GLY 5 -8.186 65.048 27.805
31 HA3 GLY 5 HA3 GLY 5 -7.972 66.765 28.117
32 H GLY 6 H GLY 6 -6.914 63.798 29.802
33 HA2 GLY 6 HA2 GLY 6 -4.348 64.858 30.532
34 HA3 GLY 6 HA3 GLY 6 -4.902 63.206 30.754
35 H SER 7 H SER 7 -5.519 62.986 27.820
36 HA SER 7 HA SER 7 -3.019 63.467 26.402
37 HB2 SER 7 HB2 SER 7 -4.167 60.641 26.639
38 HB3 SER 7 HB3 SER 7 -2.848 61.113 25.568
39 HG SER 7 HG SER 7 -2.877 61.201 28.399
40 HA PRO 8 HA PRO 8 -6.809 64.247 23.832
41 HB2 PRO 8 HB2 PRO 8 -5.743 66.371 22.417
42 HB3 PRO 8 HB3 PRO 8 -6.516 66.548 24.005
43 HG2 PRO 8 HG2 PRO 8 -3.605 66.410 23.328
44 HG3 PRO 8 HG3 PRO 8 -4.443 67.466 24.489
45 HD2 PRO 8 HD2 PRO 8 -3.074 65.237 25.265
46 HD3 PRO 8 HD3 PRO 8 -4.508 65.829 26.133
47 H LEU 9 H LEU 9 -6.970 62.661 22.342
48 HA LEU 9 HA LEU 9 -4.912 61.846 20.524
49 HB2 LEU 9 HB2 LEU 9 -7.907 61.285 20.552
50 HB3 LEU 9 HB3 LEU 9 -6.823 60.626 19.340
51 HG LEU 9 HG LEU 9 -5.554 59.485 21.246
52 HD11 LEU 9 HD11 LEU 9 -7.991 60.225 22.881
53 HD12 LEU 9 HD12 LEU 9 -6.340 60.798 23.130
54 HD13 LEU 9 HD13 LEU 9 -6.723 59.094 23.363
55 HD21 LEU 9 HD21 LEU 9 -7.130 57.600 21.400
56 HD22 LEU 9 HD22 LEU 9 -7.033 58.234 19.759
57 HD23 LEU 9 HD23 LEU 9 -8.427 58.623 20.770
58 H ALA 10 H ALA 10 -4.507 62.523 18.506
59 HA ALA 10 HA ALA 10 -5.346 65.071 17.593
60 HB1 ALA 10 HB1 ALA 10 -3.847 62.880 16.106
61 HB2 ALA 10 HB2 ALA 10 -3.113 64.134 17.108
62 HB3 ALA 10 HB3 ALA 10 -3.953 64.575 15.623
63 H THR 11 H THR 11 -7.243 65.520 16.697
64 HA THR 11 HA THR 11 -9.172 63.614 15.891
65 HB THR 11 HB THR 11 -10.511 65.636 15.147
66 HG1 THR 11 HG1 THR 11 -8.878 67.040 14.503
67 HG21 THR 11 HG21 THR 11 -10.659 64.879 17.484
68 HG22 THR 11 HG22 THR 11 -10.742 66.640 17.408
69 HG23 THR 11 HG23 THR 11 -9.245 65.847 17.908
70 H GLY 12 H GLY 12 -8.417 62.335 14.245
71 HA2 GLY 12 HA2 GLY 12 -8.569 61.757 11.987
72 HA3 GLY 12 HA3 GLY 12 -8.434 63.449 11.532
73 H THR 13 H THR 13 -6.101 63.900 13.267
74 HA THR 13 HA THR 13 -3.860 64.003 13.200
75 HB THR 13 HB THR 13 -3.985 61.232 11.933
76 HG1 THR 13 HG1 THR 13 -4.899 61.427 14.059
77 HG21 THR 13 HG21 THR 13 -1.766 62.230 11.518
78 HG22 THR 13 HG22 THR 13 -1.651 60.943 12.721
79 HG23 THR 13 HG23 THR 13 -1.612 62.631 13.231
80 H THR 14 H THR 14 -4.342 62.226 10.163
81 HA THR 14 HA THR 14 -4.192 64.535 8.474
82 HB THR 14 HB THR 14 -1.784 64.298 8.929
83 HG1 THR 14 HG1 THR 14 -2.037 64.998 6.917
84 HG21 THR 14 HG21 THR 14 -1.688 61.886 9.505
85 HG22 THR 14 HG22 THR 14 -0.492 62.309 8.280
86 HG23 THR 14 HG23 THR 14 -1.972 61.470 7.811
87 H ALA 15 H ALA 15 -4.946 64.052 6.399
88 HA ALA 15 HA ALA 15 -6.563 61.642 6.253
89 HB1 ALA 15 HB1 ALA 15 -7.496 63.849 5.641
90 HB2 ALA 15 HB2 ALA 15 -7.599 62.705 4.305
91 HB3 ALA 15 HB3 ALA 15 -6.360 63.960 4.294
92 H ASN 16 H ASN 16 -4.944 60.023 6.046
93 HA ASN 16 HA ASN 16 -3.123 59.983 3.760
94 HB2 ASN 16 HB2 ASN 16 -2.388 59.130 5.990
95 HB3 ASN 16 HB3 ASN 16 -3.619 57.869 5.923
96 HD21 ASN 16 HD21 ASN 16 -3.343 56.164 4.335
97 HD22 ASN 16 HD22 ASN 16 -1.781 55.810 3.685
98 H THR 17 H THR 17 -3.343 58.675 1.957
99 HA THR 17 HA THR 17 -5.712 56.915 1.692
100 HB THR 17 HB THR 17 -5.853 57.740 -0.735
101 HG1 THR 17 HG1 THR 17 -4.957 60.019 -0.858
102 HG21 THR 17 HG21 THR 17 -7.493 58.517 0.925
103 HG22 THR 17 HG22 THR 17 -7.098 59.793 -0.227
104 HG23 THR 17 HG23 THR 17 -6.408 59.829 1.397
105 H ARG 18 H ARG 18 -5.510 55.322 0.027
106 HA ARG 18 HA ARG 18 -2.826 54.867 -1.156
107 HB2 ARG 18 HB2 ARG 18 -3.263 53.108 0.552
108 HB3 ARG 18 HB3 ARG 18 -4.821 52.747 -0.179
109 HG2 ARG 18 HG2 ARG 18 -3.291 51.019 -0.840
110 HG3 ARG 18 HG3 ARG 18 -3.590 52.019 -2.261
111 HD2 ARG 18 HD2 ARG 18 -1.435 53.216 -1.807
112 HD3 ARG 18 HD3 ARG 18 -1.137 52.094 -0.473
113 HE ARG 18 HE ARG 18 -1.619 50.914 -3.097
114 HH11 ARG 18 HH11 ARG 18 0.814 51.831 -0.705
115 HH12 ARG 18 HH12 ARG 18 2.043 50.839 -1.421
116 HH21 ARG 18 HH21 ARG 18 0.040 49.686 -4.052
117 HH22 ARG 18 HH22 ARG 18 1.603 49.636 -3.301
118 H GLY 19 H GLY 19 -3.033 55.315 -3.270
119 HA2 GLY 19 HA2 GLY 19 -5.518 55.535 -4.653
120 HA3 GLY 19 HA3 GLY 19 -3.916 55.609 -5.366
121 H ALA 20 H ALA 20 -6.490 53.435 -4.334
122 HA ALA 20 HA ALA 20 -5.826 51.477 -6.382
123 HB1 ALA 20 HB1 ALA 20 -4.366 50.752 -4.520
124 HB2 ALA 20 HB2 ALA 20 -5.635 49.566 -4.830
125 HB3 ALA 20 HB3 ALA 20 -5.767 50.658 -3.449
126 H SER 21 H SER 21 -7.887 52.600 -6.932
127 HA SER 21 HA SER 21 -10.313 51.683 -5.600
128 HB2 SER 21 HB2 SER 21 -9.955 53.137 -8.263
129 HB3 SER 21 HB3 SER 21 -11.492 52.885 -7.422
130 HG SER 21 HG SER 21 -9.260 54.291 -6.375
131 H GLN 22 H GLN 22 -8.245 50.805 -8.255
132 HA GLN 22 HA GLN 22 -7.991 49.025 -9.570
133 HB2 GLN 22 HB2 GLN 22 -9.962 47.556 -7.770
134 HB3 GLN 22 HB3 GLN 22 -8.800 46.827 -8.873
135 HG2 GLN 22 HG2 GLN 22 -6.961 47.856 -7.461
136 HG3 GLN 22 HG3 GLN 22 -8.209 48.323 -6.307
137 HE21 GLN 22 HE21 GLN 22 -7.545 47.011 -4.615
138 HE22 GLN 22 HE22 GLN 22 -7.554 45.285 -4.684
139 H LYS 23 H LYS 23 -9.339 47.240 -10.834
140 HA LYS 23 HA LYS 23 -11.885 48.366 -11.816
141 HB2 LYS 23 HB2 LYS 23 -9.666 48.752 -13.292
142 HB3 LYS 23 HB3 LYS 23 -9.987 47.111 -13.816
143 HG2 LYS 23 HG2 LYS 23 -11.936 49.432 -14.047
144 HG3 LYS 23 HG3 LYS 23 -10.897 48.861 -15.345
145 HD2 LYS 23 HD2 LYS 23 -13.083 47.224 -14.009
146 HD3 LYS 23 HD3 LYS 23 -13.249 48.070 -15.547
147 HE2 LYS 23 HE2 LYS 23 -11.511 46.654 -16.535
148 HE3 LYS 23 HE3 LYS 23 -11.271 45.839 -14.986
149 HZ1 LYS 23 HZ1 LYS 23 -12.671 44.554 -16.497
150 HZ2 LYS 23 HZ2 LYS 23 -13.796 45.814 -16.563
151 HZ3 LYS 23 HZ3 LYS 23 -13.527 44.999 -15.107
152 H LYS 24 H LYS 24 -9.638 45.608 -11.792
153 HA LYS 24 HA LYS 24 -9.834 43.409 -11.401
154 HB2 LYS 24 HB2 LYS 24 -12.557 44.154 -10.279
155 HB3 LYS 24 HB3 LYS 24 -11.842 42.552 -10.137
156 HG2 LYS 24 HG2 LYS 24 -9.911 43.605 -8.904
157 HG3 LYS 24 HG3 LYS 24 -10.805 45.126 -8.908
158 HD2 LYS 24 HD2 LYS 24 -12.581 44.158 -7.561
159 HD3 LYS 24 HD3 LYS 24 -11.882 42.543 -7.713
160 HE2 LYS 24 HE2 LYS 24 -9.877 43.341 -6.453
161 HE3 LYS 24 HE3 LYS 24 -10.674 44.900 -6.223
162 HZ1 LYS 24 HZ1 LYS 24 -11.738 42.293 -5.282
163 HZ2 LYS 24 HZ2 LYS 24 -12.414 43.813 -4.991
164 HZ3 LYS 24 HZ3 LYS 24 -10.920 43.409 -4.317
165 H GLY 25 H GLY 25 -11.653 41.446 -11.732
166 HA2 GLY 25 HA2 GLY 25 -12.928 41.761 -14.371
167 HA3 GLY 25 HA3 GLY 25 -11.603 40.611 -14.222
168 H GLY 26 H GLY 26 -13.708 41.079 -11.497
169 HA2 GLY 26 HA2 GLY 26 -15.339 39.801 -10.520
170 HA3 GLY 26 HA3 GLY 26 -15.751 39.199 -12.117
171 H GLU 27 H GLU 27 -13.105 38.897 -9.758
172 HA GLU 27 HA GLU 27 -12.669 36.089 -10.549
173 HB2 GLU 27 HB2 GLU 27 -10.415 36.301 -9.495
174 HB3 GLU 27 HB3 GLU 27 -10.655 37.419 -10.818
175 HG2 GLU 27 HG2 GLU 27 -10.757 38.146 -7.879
176 HG3 GLU 27 HG3 GLU 27 -9.380 38.397 -8.942
177 HA PRO 28 HA PRO 28 -14.678 35.491 -6.482
178 HB2 PRO 28 HB2 PRO 28 -16.094 33.267 -7.080
179 HB3 PRO 28 HB3 PRO 28 -16.521 34.843 -7.774
180 HG2 PRO 28 HG2 PRO 28 -15.177 32.527 -9.064
181 HG3 PRO 28 HG3 PRO 28 -16.280 33.731 -9.762
182 HD2 PRO 28 HD2 PRO 28 -13.428 33.751 -9.908
183 HD3 PRO 28 HD3 PRO 28 -14.531 35.042 -10.424
184 HA PRO 29 HA PRO 29 -11.687 32.414 -4.861
185 HB2 PRO 29 HB2 PRO 29 -12.069 32.903 -2.207
186 HB3 PRO 29 HB3 PRO 29 -11.163 34.031 -3.238
187 HG2 PRO 29 HG2 PRO 29 -13.991 34.201 -2.282
188 HG3 PRO 29 HG3 PRO 29 -12.766 35.483 -2.405
189 HD2 PRO 29 HD2 PRO 29 -14.758 35.081 -4.274
190 HD3 PRO 29 HD3 PRO 29 -13.206 35.859 -4.636
191 H ALA 30 H ALA 30 -11.937 30.299 -4.080
192 HA ALA 30 HA ALA 30 -14.685 29.358 -3.462
193 HB1 ALA 30 HB1 ALA 30 -14.304 27.396 -4.902
194 HB2 ALA 30 HB2 ALA 30 -12.720 28.023 -5.369
195 HB3 ALA 30 HB3 ALA 30 -14.185 28.892 -5.831
196 H LEU 31 H LEU 31 -14.037 29.390 -1.248
197 HA LEU 31 HA LEU 31 -12.024 27.710 -0.148
198 HB2 LEU 31 HB2 LEU 31 -13.283 29.623 1.011
199 HB3 LEU 31 HB3 LEU 31 -14.660 28.554 1.156
200 HG LEU 31 HG LEU 31 -13.332 28.822 3.273
201 HD11 LEU 31 HD11 LEU 31 -13.369 25.945 2.308
202 HD12 LEU 31 HD12 LEU 31 -14.731 26.818 3.009
203 HD13 LEU 31 HD13 LEU 31 -13.303 26.493 3.987
204 HD21 LEU 31 HD21 LEU 31 -11.128 27.312 1.828
205 HD22 LEU 31 HD22 LEU 31 -11.143 27.752 3.538
206 HD23 LEU 31 HD23 LEU 31 -11.085 29.011 2.309
207 H ILE 32 H ILE 32 -12.047 25.673 -1.005
208 HA ILE 32 HA ILE 32 -14.423 24.043 -1.253
209 HB ILE 32 HB ILE 32 -11.458 23.337 -1.576
210 HG12 ILE 32 HG12 ILE 32 -13.609 23.880 -3.683
211 HG13 ILE 32 HG13 ILE 32 -12.314 24.984 -3.244
212 HG21 ILE 32 HG21 ILE 32 -12.750 21.315 -1.004
213 HG22 ILE 32 HG22 ILE 32 -12.202 21.252 -2.678
214 HG23 ILE 32 HG23 ILE 32 -13.882 21.650 -2.315
215 HD11 ILE 32 HD11 ILE 32 -11.826 23.893 -5.319
216 HD12 ILE 32 HD12 ILE 32 -12.004 22.303 -4.581
217 HD13 ILE 32 HD13 ILE 32 -10.676 23.362 -4.094
218 H VAL 33 H VAL 33 -15.238 22.700 0.264
219 HA VAL 33 HA VAL 33 -13.722 22.151 2.751
220 HB VAL 33 HB VAL 33 -16.013 21.443 3.694
221 HG11 VAL 33 HG11 VAL 33 -14.936 23.559 4.315
222 HG12 VAL 33 HG12 VAL 33 -16.686 23.753 4.231
223 HG13 VAL 33 HG13 VAL 33 -15.667 24.369 2.926
224 HG21 VAL 33 HG21 VAL 33 -17.265 21.185 1.571
225 HG22 VAL 33 HG22 VAL 33 -17.105 22.911 1.246
226 HG23 VAL 33 HG23 VAL 33 -18.057 22.356 2.626
227 H ASP 34 H ASP 34 -12.487 20.476 2.050
228 HA ASP 34 HA ASP 34 -13.634 17.878 2.275
229 HB2 ASP 34 HB2 ASP 34 -14.127 18.094 -0.102
230 HB3 ASP 34 HB3 ASP 34 -12.490 18.636 -0.449
231 HA PRO 35 HA PRO 35 -9.222 17.603 3.463
232 HB2 PRO 35 HB2 PRO 35 -9.542 16.361 5.806
233 HB3 PRO 35 HB3 PRO 35 -10.068 18.049 5.639
234 HG2 PRO 35 HG2 PRO 35 -11.719 15.558 5.687
235 HG3 PRO 35 HG3 PRO 35 -12.069 17.157 6.374
236 HD2 PRO 35 HD2 PRO 35 -12.971 16.168 3.864
237 HD3 PRO 35 HD3 PRO 35 -13.092 17.843 4.450
238 H LEU 36 H LEU 36 -11.017 15.708 1.760
239 HA LEU 36 HA LEU 36 -11.187 13.637 0.946
240 HB2 LEU 36 HB2 LEU 36 -8.304 13.449 1.894
241 HB3 LEU 36 HB3 LEU 36 -9.083 12.202 0.930
242 HG LEU 36 HG LEU 36 -8.816 15.082 -0.010
243 HD11 LEU 36 HD11 LEU 36 -6.946 14.380 -1.416
244 HD12 LEU 36 HD12 LEU 36 -6.987 12.765 -0.703
245 HD13 LEU 36 HD13 LEU 36 -6.568 14.161 0.292
246 HD21 LEU 36 HD21 LEU 36 -10.613 13.836 -1.106
247 HD22 LEU 36 HD22 LEU 36 -9.489 12.545 -1.537
248 HD23 LEU 36 HD23 LEU 36 -9.296 14.156 -2.234
249 H MET 37 H MET 37 -12.840 13.181 2.439
250 HA MET 37 HA MET 37 -12.548 12.061 5.005
251 HB2 MET 37 HB2 MET 37 -14.690 12.993 4.214
252 HB3 MET 37 HB3 MET 37 -14.830 11.728 3.005
253 HG2 MET 37 HG2 MET 37 -14.840 11.188 5.990
254 HG3 MET 37 HG3 MET 37 -16.295 11.445 5.032
255 HE1 MET 37 HE1 MET 37 -15.545 8.840 6.909
256 HE2 MET 37 HE2 MET 37 -16.178 7.538 5.904
257 HE3 MET 37 HE3 MET 37 -17.114 9.017 6.116
258 H LYS 38 H LYS 38 -13.302 10.419 1.925
259 HA LYS 38 HA LYS 38 -12.631 7.811 2.953
260 HB2 LYS 38 HB2 LYS 38 -13.260 8.772 0.130
261 HB3 LYS 38 HB3 LYS 38 -12.929 7.092 0.534
262 HG2 LYS 38 HG2 LYS 38 -15.215 8.744 1.641
263 HG3 LYS 38 HG3 LYS 38 -15.347 7.549 0.347
264 HD2 LYS 38 HD2 LYS 38 -14.595 5.778 1.949
265 HD3 LYS 38 HD3 LYS 38 -14.537 6.993 3.231
266 HE2 LYS 38 HE2 LYS 38 -16.595 5.719 3.402
267 HE3 LYS 38 HE3 LYS 38 -16.980 7.379 2.939
268 HZ1 LYS 38 HZ1 LYS 38 -17.121 6.589 0.619
269 HZ2 LYS 38 HZ2 LYS 38 -18.264 5.869 1.633
270 HZ3 LYS 38 HZ3 LYS 38 -16.891 5.007 1.164
271 H TYR 39 H TYR 39 -10.717 6.872 2.921
272 HA TYR 39 HA TYR 39 -8.305 8.074 1.987
273 HB2 TYR 39 HB2 TYR 39 -8.948 5.274 3.033
274 HB3 TYR 39 HB3 TYR 39 -7.317 5.827 2.672
275 HD1 TYR 39 HD1 TYR 39 -10.298 6.687 4.826
276 HD2 TYR 39 HD2 TYR 39 -6.063 6.889 4.361
277 HE1 TYR 39 HE1 TYR 39 -10.094 7.631 7.088
278 HE2 TYR 39 HE2 TYR 39 -5.858 7.824 6.617
279 HH TYR 39 HH TYR 39 -7.251 9.069 8.230
280 H ILE 40 H ILE 40 -8.736 8.463 -0.210
281 HA ILE 40 HA ILE 40 -9.508 6.476 -2.106
282 HB ILE 40 HB ILE 40 -8.083 9.150 -2.528
283 HG12 ILE 40 HG12 ILE 40 -11.053 8.466 -2.760
284 HG13 ILE 40 HG13 ILE 40 -10.316 9.370 -1.444
285 HG21 ILE 40 HG21 ILE 40 -9.499 7.431 -4.606
286 HG22 ILE 40 HG22 ILE 40 -7.756 7.675 -4.480
287 HG23 ILE 40 HG23 ILE 40 -8.805 9.033 -4.888
288 HD11 ILE 40 HD11 ILE 40 -10.507 10.244 -4.325
289 HD12 ILE 40 HD12 ILE 40 -9.703 11.146 -3.035
290 HD13 ILE 40 HD13 ILE 40 -11.438 10.851 -2.958
291 H CYS 41 H CYS 41 -8.241 4.760 -2.691
292 HA CYS 41 HA CYS 41 -5.458 4.528 -2.221
293 HB2 CYS 41 HB2 CYS 41 -6.884 2.558 -2.465
294 HB3 CYS 41 HB3 CYS 41 -7.296 3.001 -4.116
295 H HIS 42 H HIS 42 -3.963 5.629 -3.180
296 HA HIS 42 HA HIS 42 -4.353 7.617 -5.055
297 HB2 HIS 42 HB2 HIS 42 -2.489 7.345 -3.336
298 HB3 HIS 42 HB3 HIS 42 -1.671 6.290 -4.478
299 HD1 HIS 42 HD1 HIS 42 0.077 8.348 -3.840
300 HD2 HIS 42 HD2 HIS 42 -2.995 9.205 -6.501
301 HE1 HIS 42 HE1 HIS 42 0.819 10.404 -5.079
302 HE2 HIS 42 HE2 HIS 42 -0.972 10.779 -6.814
303 H ILE 43 H ILE 43 -3.682 4.283 -5.651
304 HA ILE 43 HA ILE 43 -2.674 4.717 -8.364
305 HB ILE 43 HB ILE 43 -2.887 2.149 -6.722
306 HG12 ILE 43 HG12 ILE 43 -0.485 3.944 -7.356
307 HG13 ILE 43 HG13 ILE 43 -1.248 3.749 -5.784
308 HG21 ILE 43 HG21 ILE 43 -1.470 1.096 -8.457
309 HG22 ILE 43 HG22 ILE 43 -1.534 2.579 -9.412
310 HG23 ILE 43 HG23 ILE 43 -3.005 1.649 -9.133
311 HD11 ILE 43 HD11 ILE 43 0.288 1.649 -7.295
312 HD12 ILE 43 HD12 ILE 43 -0.527 1.404 -5.748
313 HD13 ILE 43 HD13 ILE 43 0.815 2.541 -5.867
314 H CYS 44 H CYS 44 -5.598 3.426 -6.717
315 HA CYS 44 HA CYS 44 -6.688 2.577 -9.366
316 HB2 CYS 44 HB2 CYS 44 -7.886 0.781 -8.222
317 HB3 CYS 44 HB3 CYS 44 -6.163 0.664 -7.870
318 H ASN 45 H ASN 45 -6.994 4.942 -7.155
319 HA ASN 45 HA ASN 45 -8.490 6.483 -6.518
320 HB2 ASN 45 HB2 ASN 45 -10.036 5.583 -8.978
321 HB3 ASN 45 HB3 ASN 45 -10.372 7.053 -8.064
322 HD21 ASN 45 HD21 ASN 45 -9.696 6.925 -10.834
323 HD22 ASN 45 HD22 ASN 45 -8.209 7.780 -11.039
324 H ARG 46 H ARG 46 -9.061 3.447 -5.779
325 HA ARG 46 HA ARG 46 -11.903 3.579 -5.088
326 HB2 ARG 46 HB2 ARG 46 -9.892 1.328 -4.637
327 HB3 ARG 46 HB3 ARG 46 -11.632 1.220 -4.398
328 HG2 ARG 46 HG2 ARG 46 -10.218 1.655 -7.047
329 HG3 ARG 46 HG3 ARG 46 -10.958 0.150 -6.507
330 HD2 ARG 46 HD2 ARG 46 -13.179 1.232 -6.524
331 HD3 ARG 46 HD3 ARG 46 -12.443 2.755 -7.026
332 HE ARG 46 HE ARG 46 -11.666 1.340 -9.045
333 HH11 ARG 46 HH11 ARG 46 -14.788 1.064 -7.457
334 HH12 ARG 46 HH12 ARG 46 -15.607 0.508 -8.884
335 HH21 ARG 46 HH21 ARG 46 -12.730 0.574 -10.905
336 HH22 ARG 46 HH22 ARG 46 -14.431 0.230 -10.839
337 H GLY 47 H GLY 47 -12.578 4.371 -3.194
338 HA2 GLY 47 HA2 GLY 47 -10.832 4.489 -0.820
339 HA3 GLY 47 HA3 GLY 47 -12.415 5.233 -0.997
340 H ASP 48 H ASP 48 -12.369 2.113 -2.178
341 HA ASP 48 HA ASP 48 -13.677 0.913 0.191
342 HB2 ASP 48 HB2 ASP 48 -15.087 1.292 -1.892
343 HB3 ASP 48 HB3 ASP 48 -14.029 0.203 -2.769
344 H VAL 49 H VAL 49 -13.392 -1.648 -0.000
345 HA VAL 49 HA VAL 49 -12.006 -3.373 0.489
346 HB VAL 49 HB VAL 49 -10.109 -2.442 -1.724
347 HG11 VAL 49 HG11 VAL 49 -9.286 -4.333 -0.385
348 HG12 VAL 49 HG12 VAL 49 -9.657 -4.854 -2.028
349 HG13 VAL 49 HG13 VAL 49 -10.768 -5.240 -0.709
350 HG21 VAL 49 HG21 VAL 49 -12.371 -2.405 -2.685
351 HG22 VAL 49 HG22 VAL 49 -12.661 -4.056 -2.129
352 HG23 VAL 49 HG23 VAL 49 -11.432 -3.738 -3.356
353 H GLU 50 H GLU 50 -11.840 -1.293 2.095
354 HA GLU 50 HA GLU 50 -9.347 -0.050 2.525
355 HB2 GLU 50 HB2 GLU 50 -11.625 -0.539 4.487
356 HB3 GLU 50 HB3 GLU 50 -10.291 0.586 4.729
357 HG2 GLU 50 HG2 GLU 50 -11.048 1.924 2.812
358 HG3 GLU 50 HG3 GLU 50 -12.359 0.780 2.525
359 H GLU 51 H GLU 51 -10.552 -3.184 3.438
360 HA GLU 51 HA GLU 51 -8.868 -3.850 5.588
361 HB2 GLU 51 HB2 GLU 51 -10.854 -5.180 4.923
362 HB3 GLU 51 HB3 GLU 51 -10.047 -5.670 3.435
363 HG2 GLU 51 HG2 GLU 51 -8.319 -6.837 4.793
364 HG3 GLU 51 HG3 GLU 51 -9.185 -6.382 6.257
365 H SER 52 H SER 52 -8.323 -3.938 2.077
366 HA SER 52 HA SER 52 -5.644 -5.143 2.397
367 HB2 SER 52 HB2 SER 52 -7.218 -4.477 -0.137
368 HB3 SER 52 HB3 SER 52 -5.665 -5.319 -0.074
369 HG SER 52 HG SER 52 -8.152 -6.195 0.964
370 H MET 53 H MET 53 -6.875 -2.175 2.777
371 HA MET 53 HA MET 53 -4.926 -0.668 1.177
372 HB2 MET 53 HB2 MET 53 -7.316 0.073 1.203
373 HB3 MET 53 HB3 MET 53 -7.206 0.345 2.935
374 HG2 MET 53 HG2 MET 53 -5.506 2.092 2.541
375 HG3 MET 53 HG3 MET 53 -5.655 1.842 0.799
376 HE1 MET 53 HE1 MET 53 -8.947 1.272 0.712
377 HE2 MET 53 HE2 MET 53 -8.057 2.188 -0.505
378 HE3 MET 53 HE3 MET 53 -9.471 2.898 0.270
379 H LEU 54 H LEU 54 -3.042 -0.333 2.066
380 HA LEU 54 HA LEU 54 -2.571 -0.237 4.958
381 HB2 LEU 54 HB2 LEU 54 -0.668 -0.367 2.572
382 HB3 LEU 54 HB3 LEU 54 -0.134 -0.179 4.235
383 HG LEU 54 HG LEU 54 -1.184 -2.414 4.775
384 HD11 LEU 54 HD11 LEU 54 -2.813 -2.609 2.986
385 HD12 LEU 54 HD12 LEU 54 -1.695 -3.970 2.951
386 HD13 LEU 54 HD13 LEU 54 -1.525 -2.659 1.779
387 HD21 LEU 54 HD21 LEU 54 0.966 -2.421 2.647
388 HD22 LEU 54 HD22 LEU 54 0.595 -3.754 3.745
389 HD23 LEU 54 HD23 LEU 54 1.203 -2.229 4.385
390 H LEU 55 H LEU 55 -1.958 1.605 5.948
391 HA LEU 55 HA LEU 55 -1.808 4.129 4.393
392 HB2 LEU 55 HB2 LEU 55 -3.986 3.593 5.803
393 HB3 LEU 55 HB3 LEU 55 -2.988 3.961 7.192
394 HG LEU 55 HG LEU 55 -4.493 5.844 6.357
395 HD11 LEU 55 HD11 LEU 55 -2.904 7.660 6.696
396 HD12 LEU 55 HD12 LEU 55 -1.549 6.553 6.468
397 HD13 LEU 55 HD13 LEU 55 -2.621 6.361 7.856
398 HD21 LEU 55 HD21 LEU 55 -4.189 5.485 3.942
399 HD22 LEU 55 HD22 LEU 55 -2.506 6.000 4.064
400 HD23 LEU 55 HD23 LEU 55 -3.808 7.145 4.397
401 H CYS 56 H CYS 56 -0.319 5.676 5.239
402 HA CYS 56 HA CYS 56 2.012 4.429 6.446
403 HB2 CYS 56 HB2 CYS 56 1.833 6.253 4.470
404 HB3 CYS 56 HB3 CYS 56 1.952 7.368 5.792
405 H ASP 57 H ASP 57 2.739 4.751 8.509
406 HA ASP 57 HA ASP 57 1.356 6.331 10.460
407 HB2 ASP 57 HB2 ASP 57 2.736 4.270 10.952
408 HB3 ASP 57 HB3 ASP 57 4.189 5.209 10.632
409 H GLY 58 H GLY 58 3.973 6.914 8.246
410 HA2 GLY 58 HA2 GLY 58 4.202 9.727 9.127
411 HA3 GLY 58 HA3 GLY 58 5.623 8.785 8.709
412 H CYS 59 H CYS 59 3.078 10.656 7.554
413 HA CYS 59 HA CYS 59 2.892 11.964 5.715
414 HB2 CYS 59 HB2 CYS 59 4.297 11.839 3.747
415 HB3 CYS 59 HB3 CYS 59 5.345 11.660 5.143
416 H ASP 60 H ASP 60 0.909 11.715 4.867
417 HA ASP 60 HA ASP 60 -0.277 9.100 4.945
418 HB2 ASP 60 HB2 ASP 60 -1.474 10.937 5.955
419 HB3 ASP 60 HB3 ASP 60 -1.379 11.918 4.505
420 H ASP 61 H ASP 61 -0.373 7.790 3.254
421 HA ASP 61 HA ASP 61 -1.475 8.716 0.740
422 HB2 ASP 61 HB2 ASP 61 1.176 8.771 0.614
423 HB3 ASP 61 HB3 ASP 61 1.045 7.027 0.512
424 H SER 62 H SER 62 -2.950 7.242 0.154
425 HA SER 62 HA SER 62 -3.166 4.723 1.629
426 HB2 SER 62 HB2 SER 62 -5.155 6.050 -0.267
427 HB3 SER 62 HB3 SER 62 -5.475 4.671 0.785
428 HG SER 62 HG SER 62 -5.601 5.962 2.470
429 H TYR 63 H TYR 63 -2.482 2.872 0.747
430 HA TYR 63 HA TYR 63 -2.601 2.456 -2.198
431 HB2 TYR 63 HB2 TYR 63 -0.407 1.535 -0.279
432 HB3 TYR 63 HB3 TYR 63 -0.533 1.040 -1.960
433 HD1 TYR 63 HD2 TYR 63 -0.096 2.695 -3.782
434 HD2 TYR 63 HD1 TYR 63 0.569 3.689 0.315
435 HE1 TYR 63 HE2 TYR 63 1.346 4.557 -4.470
436 HE2 TYR 63 HE1 TYR 63 2.003 5.563 -0.376
437 HH TYR 63 HH TYR 63 2.123 6.740 -3.482
438 H HIS 64 H HIS 64 -3.531 0.485 -2.777
439 HA HIS 64 HA HIS 64 -4.220 -1.453 -0.676
440 HB2 HIS 64 HB2 HIS 64 -4.744 -1.487 -3.668
441 HB3 HIS 64 HB3 HIS 64 -5.172 -2.811 -2.597
442 HD2 HIS 64 HD2 HIS 64 -6.882 -1.744 -0.367
443 HE1 HIS 64 HE1 HIS 64 -8.939 0.557 -3.234
444 HE2 HIS 64 HE2 HIS 64 -9.110 -0.590 -0.996
445 H THR 65 H THR 65 -3.513 -3.642 -0.766
446 HA THR 65 HA THR 65 -0.832 -4.228 -1.192
447 HB THR 65 HB THR 65 -1.662 -6.666 -1.177
448 HG1 THR 65 HG1 THR 65 -3.782 -7.047 -1.240
449 HG21 THR 65 HG21 THR 65 -2.472 -6.602 1.146
450 HG22 THR 65 HG22 THR 65 -2.741 -4.863 1.018
451 HG23 THR 65 HG23 THR 65 -1.100 -5.515 0.936
452 H PHE 66 H PHE 66 -3.630 -5.028 -3.224
453 HA PHE 66 HA PHE 66 -2.116 -6.174 -5.349
454 HB2 PHE 66 HB2 PHE 66 -4.323 -6.354 -6.494
455 HB3 PHE 66 HB3 PHE 66 -4.320 -7.037 -4.881
456 HD1 PHE 66 HD2 PHE 66 -5.621 -4.287 -6.990
457 HD2 PHE 66 HD1 PHE 66 -5.699 -6.051 -3.094
458 HE1 PHE 66 HE2 PHE 66 -7.622 -2.967 -6.427
459 HE2 PHE 66 HE1 PHE 66 -7.701 -4.728 -2.544
460 HZ PHE 66 HZ PHE 66 -8.664 -3.186 -4.205
461 H CYS 67 H CYS 67 -3.140 -2.911 -4.678
462 HA CYS 67 HA CYS 67 -2.992 -1.893 -7.361
463 HB2 CYS 67 HB2 CYS 67 -2.944 -0.490 -4.660
464 HB3 CYS 67 HB3 CYS 67 -2.948 0.372 -6.198
465 H LEU 68 H LEU 68 -0.666 -2.296 -4.727
466 HA LEU 68 HA LEU 68 1.503 -0.821 -5.893
467 HB2 LEU 68 HB2 LEU 68 1.375 -3.003 -3.774
468 HB3 LEU 68 HB3 LEU 68 2.888 -2.245 -4.254
469 HG LEU 68 HG LEU 68 0.519 -0.728 -3.094
470 HD11 LEU 68 HD11 LEU 68 3.064 -1.597 -1.703
471 HD12 LEU 68 HD12 LEU 68 1.447 -2.245 -1.422
472 HD13 LEU 68 HD13 LEU 68 1.802 -0.568 -1.021
473 HD21 LEU 68 HD21 LEU 68 2.137 1.123 -2.822
474 HD22 LEU 68 HD22 LEU 68 1.910 0.683 -4.511
475 HD23 LEU 68 HD23 LEU 68 3.367 0.168 -3.657
476 H LEU 69 H LEU 69 3.304 -1.627 -7.063
477 HA LEU 69 HA LEU 69 3.126 -4.370 -8.164
478 HB2 LEU 69 HB2 LEU 69 3.983 -1.858 -9.660
479 HB3 LEU 69 HB3 LEU 69 4.150 -3.490 -10.288
480 HG LEU 69 HG LEU 69 1.538 -2.038 -9.718
481 HD11 LEU 69 HD11 LEU 69 2.648 -1.241 -11.747
482 HD12 LEU 69 HD12 LEU 69 1.190 -2.143 -12.153
483 HD13 LEU 69 HD13 LEU 69 2.776 -2.895 -12.352
484 HD21 LEU 69 HD21 LEU 69 1.260 -4.414 -9.200
485 HD22 LEU 69 HD22 LEU 69 1.924 -4.859 -10.775
486 HD23 LEU 69 HD23 LEU 69 0.388 -3.995 -10.674
487 HA PRO 70 HA PRO 70 4.257 -6.213 -8.279
488 HB2 PRO 70 HB2 PRO 70 5.785 -7.573 -6.094
489 HB3 PRO 70 HB3 PRO 70 5.683 -7.985 -7.816
490 HG2 PRO 70 HG2 PRO 70 7.936 -6.986 -6.771
491 HG3 PRO 70 HG3 PRO 70 7.408 -6.562 -8.418
492 HD2 PRO 70 HD2 PRO 70 7.083 -4.966 -5.872
493 HD3 PRO 70 HD3 PRO 70 7.657 -4.429 -7.470
494 HA PRO 71 HA PRO 71 1.045 -5.705 -5.161
495 HB2 PRO 71 HB2 PRO 71 0.170 -8.469 -6.012
496 HB3 PRO 71 HB3 PRO 71 -0.754 -6.951 -5.983
497 HG2 PRO 71 HG2 PRO 71 0.066 -7.945 -8.294
498 HG3 PRO 71 HG3 PRO 71 0.162 -6.190 -7.997
499 HD2 PRO 71 HD2 PRO 71 2.366 -8.249 -7.853
500 HD3 PRO 71 HD3 PRO 71 2.385 -6.626 -8.586
501 H LEU 72 H LEU 72 0.800 -6.159 -3.028
502 HA LEU 72 HA LEU 72 2.679 -7.986 -1.785
503 HB2 LEU 72 HB2 LEU 72 0.638 -6.117 -0.501
504 HB3 LEU 72 HB3 LEU 72 1.927 -6.967 0.336
505 HG LEU 72 HG LEU 72 2.264 -4.717 -1.684
506 HD11 LEU 72 HD11 LEU 72 2.783 -4.789 1.311
507 HD12 LEU 72 HD12 LEU 72 1.481 -3.926 0.490
508 HD13 LEU 72 HD13 LEU 72 3.154 -3.439 0.234
509 HD21 LEU 72 HD21 LEU 72 4.417 -6.268 -0.209
510 HD22 LEU 72 HD22 LEU 72 4.674 -4.825 -1.194
511 HD23 LEU 72 HD23 LEU 72 4.096 -6.309 -1.944
512 H THR 73 H THR 73 1.816 -9.983 -2.454
513 HA THR 73 HA THR 73 -0.758 -10.980 -1.777
514 HB THR 73 HB THR 73 0.309 -13.247 -2.048
515 HG1 THR 73 HG1 THR 73 2.626 -12.990 -2.884
516 HG21 THR 73 HG21 THR 73 1.088 -11.260 -4.221
517 HG22 THR 73 HG22 THR 73 -0.477 -12.063 -4.074
518 HG23 THR 73 HG23 THR 73 0.968 -13.013 -4.417
519 H SER 74 H SER 74 2.390 -11.071 -0.192
520 HA SER 74 HA SER 74 1.295 -11.778 2.420
521 HB2 SER 74 HB2 SER 74 4.114 -10.890 1.710
522 HB3 SER 74 HB3 SER 74 3.600 -11.725 3.173
523 HG SER 74 HG SER 74 3.040 -12.993 0.761
524 H ILE 75 H ILE 75 0.318 -10.212 3.525
525 HA ILE 75 HA ILE 75 0.798 -7.374 3.064
526 HB ILE 75 HB ILE 75 -1.052 -8.690 5.124
527 HG12 ILE 75 HG12 ILE 75 -1.630 -7.811 2.256
528 HG13 ILE 75 HG13 ILE 75 -1.626 -9.462 2.853
529 HG21 ILE 75 HG21 ILE 75 -1.088 -5.858 3.982
530 HG22 ILE 75 HG22 ILE 75 -0.552 -6.302 5.602
531 HG23 ILE 75 HG23 ILE 75 -2.242 -6.515 5.145
532 HD11 ILE 75 HD11 ILE 75 -3.590 -7.296 3.581
533 HD12 ILE 75 HD12 ILE 75 -3.593 -8.941 4.228
534 HD13 ILE 75 HD13 ILE 75 -3.863 -8.667 2.507
535 HA PRO 76 HA PRO 76 3.821 -7.328 6.547
536 HB2 PRO 76 HB2 PRO 76 4.298 -4.603 6.515
537 HB3 PRO 76 HB3 PRO 76 5.080 -5.747 5.402
538 HG2 PRO 76 HG2 PRO 76 2.740 -3.954 4.932
539 HG3 PRO 76 HG3 PRO 76 4.095 -4.337 3.848
540 HD2 PRO 76 HD2 PRO 76 1.632 -5.480 3.587
541 HD3 PRO 76 HD3 PRO 76 3.126 -6.325 3.129
542 H LYS 77 H LYS 77 1.983 -7.987 7.795
543 HA LYS 77 HA LYS 77 0.105 -6.380 9.095
544 HB2 LYS 77 HB2 LYS 77 0.114 -8.903 8.895
545 HB3 LYS 77 HB3 LYS 77 1.385 -8.978 10.097
546 HG2 LYS 77 HG2 LYS 77 -1.337 -7.777 10.669
547 HG3 LYS 77 HG3 LYS 77 -1.017 -9.494 10.845
548 HD2 LYS 77 HD2 LYS 77 0.326 -7.254 12.405
549 HD3 LYS 77 HD3 LYS 77 -0.927 -8.339 13.004
550 HE2 LYS 77 HE2 LYS 77 0.576 -10.256 12.787
551 HE3 LYS 77 HE3 LYS 77 1.835 -9.224 12.098
552 HZ1 LYS 77 HZ1 LYS 77 1.870 -7.975 14.207
553 HZ2 LYS 77 HZ2 LYS 77 2.258 -9.602 14.442
554 HZ3 LYS 77 HZ3 LYS 77 0.721 -9.030 14.856
555 H GLY 78 H GLY 78 0.452 -4.806 10.504
556 HA2 GLY 78 HA2 GLY 78 1.252 -4.305 12.796
557 HA3 GLY 78 HA3 GLY 78 2.846 -4.832 12.280
558 H GLU 79 H GLU 79 3.817 -3.606 10.459
559 HA GLU 79 HA GLU 79 3.057 -0.768 10.382
560 HB2 GLU 79 HB2 GLU 79 5.424 -0.103 10.869
561 HB3 GLU 79 HB3 GLU 79 4.632 -0.875 12.235
562 HG2 GLU 79 HG2 GLU 79 5.864 -2.936 11.874
563 HG3 GLU 79 HG3 GLU 79 6.535 -2.325 10.366
564 H TRP 80 H TRP 80 3.363 0.117 8.435
565 HA TRP 80 HA TRP 80 5.446 -0.817 6.626
566 HB2 TRP 80 HB2 TRP 80 3.543 -2.194 5.932
567 HB3 TRP 80 HB3 TRP 80 2.474 -0.800 5.931
568 HD1 TRP 80 HD1 TRP 80 5.233 -2.446 3.790
569 HE1 TRP 80 HE1 TRP 80 5.092 -1.463 1.420
570 HE3 TRP 80 HE3 TRP 80 1.842 1.262 4.665
571 HZ2 TRP 80 HZ2 TRP 80 3.731 0.612 0.088
572 HZ3 TRP 80 HZ3 TRP 80 1.163 2.716 2.781
573 HH2 TRP 80 HH2 TRP 80 2.104 2.389 0.549
574 H LEU 81 H LEU 81 6.119 0.806 5.270
575 HA LEU 81 HA LEU 81 4.977 3.514 5.677
576 HB2 LEU 81 HB2 LEU 81 7.885 2.692 5.370
577 HB3 LEU 81 HB3 LEU 81 7.327 4.356 5.366
578 HG LEU 81 HG LEU 81 7.142 2.421 7.709
579 HD11 LEU 81 HD11 LEU 81 9.439 3.187 7.283
580 HD12 LEU 81 HD12 LEU 81 8.810 3.862 8.785
581 HD13 LEU 81 HD13 LEU 81 8.901 4.868 7.336
582 HD21 LEU 81 HD21 LEU 81 6.303 5.343 7.574
583 HD22 LEU 81 HD22 LEU 81 6.340 4.346 9.031
584 HD23 LEU 81 HD23 LEU 81 5.224 3.951 7.728
585 H CYS 82 H CYS 82 4.634 4.723 3.929
586 HA CYS 82 HA CYS 82 4.370 3.613 1.357
587 HB2 CYS 82 HB2 CYS 82 3.798 5.984 0.722
588 HB3 CYS 82 HB3 CYS 82 2.910 5.407 2.132
589 HA PRO 83 HA PRO 83 8.254 4.288 -0.906
590 HB2 PRO 83 HB2 PRO 83 6.466 5.926 -2.733
591 HB3 PRO 83 HB3 PRO 83 7.708 4.725 -3.161
592 HG2 PRO 83 HG2 PRO 83 5.174 4.016 -3.233
593 HG3 PRO 83 HG3 PRO 83 6.366 2.907 -2.516
594 HD2 PRO 83 HD2 PRO 83 4.348 4.655 -1.149
595 HD3 PRO 83 HD3 PRO 83 4.932 3.035 -0.700
596 H ARG 84 H ARG 84 6.196 7.114 -0.266
597 HA ARG 84 HA ARG 84 7.975 9.239 -0.624
598 HB2 ARG 84 HB2 ARG 84 5.509 9.427 -0.176
599 HB3 ARG 84 HB3 ARG 84 5.794 8.970 1.495
600 HG2 ARG 84 HG2 ARG 84 5.467 11.344 1.402
601 HG3 ARG 84 HG3 ARG 84 7.170 11.056 1.768
602 HD2 ARG 84 HD2 ARG 84 6.908 12.860 0.137
603 HD3 ARG 84 HD3 ARG 84 7.740 11.482 -0.601
604 HE ARG 84 HE ARG 84 4.994 11.211 -1.070
605 HH11 ARG 84 HH11 ARG 84 7.552 13.418 -2.082
606 HH12 ARG 84 HH12 ARG 84 6.778 13.782 -3.590
607 HH21 ARG 84 HH21 ARG 84 4.015 11.682 -3.005
608 HH22 ARG 84 HH22 ARG 84 4.760 12.793 -4.115
609 H CYS 85 H CYS 85 7.459 7.188 2.237
610 HA CYS 85 HA CYS 85 9.240 8.550 4.002
611 HB2 CYS 85 HB2 CYS 85 8.417 5.627 4.172
612 HB3 CYS 85 HB3 CYS 85 8.834 6.725 5.506
613 H VAL 86 H VAL 86 9.577 5.887 1.745
614 HA VAL 86 HA VAL 86 12.059 4.843 2.605
615 HB VAL 86 HB VAL 86 10.838 4.724 -0.197
616 HG11 VAL 86 HG11 VAL 86 13.209 4.050 -0.231
617 HG12 VAL 86 HG12 VAL 86 12.166 2.660 -0.520
618 HG13 VAL 86 HG13 VAL 86 12.916 2.882 1.063
619 HG21 VAL 86 HG21 VAL 86 10.493 2.775 2.114
620 HG22 VAL 86 HG22 VAL 86 9.859 2.563 0.478
621 HG23 VAL 86 HG23 VAL 86 9.259 3.878 1.491
622 H VAL 87 H VAL 87 11.204 7.549 0.500
623 HA VAL 87 HA VAL 87 13.708 8.161 -0.639
624 HB VAL 87 HB VAL 87 11.538 10.138 0.231
625 HG11 VAL 87 HG11 VAL 87 13.718 10.508 -1.854
626 HG12 VAL 87 HG12 VAL 87 13.630 11.303 -0.282
627 HG13 VAL 87 HG13 VAL 87 12.414 11.650 -1.511
628 HG21 VAL 87 HG21 VAL 87 10.592 8.414 -1.229
629 HG22 VAL 87 HG22 VAL 87 11.842 8.712 -2.437
630 HG23 VAL 87 HG23 VAL 87 10.649 9.963 -2.071
631 H GLU 88 H GLU 88 12.363 8.910 2.548
632 HA GLU 88 HA GLU 88 14.583 10.573 3.400
633 HB2 GLU 88 HB2 GLU 88 12.189 9.453 4.910
634 HB3 GLU 88 HB3 GLU 88 13.354 10.582 5.599
635 HG2 GLU 88 HG2 GLU 88 11.513 11.112 3.249
636 HG3 GLU 88 HG3 GLU 88 11.353 11.772 4.876
637 H GLU 89 H GLU 89 14.006 7.215 3.340
638 HA GLU 89 HA GLU 89 15.843 6.639 5.599
639 HB2 GLU 89 HB2 GLU 89 13.971 4.767 4.080
640 HB3 GLU 89 HB3 GLU 89 14.898 4.372 5.526
641 HG2 GLU 89 HG2 GLU 89 13.592 5.966 6.840
642 HG3 GLU 89 HG3 GLU 89 12.705 6.462 5.403
643 H VAL 90 H VAL 90 17.548 5.150 5.354
644 HA VAL 90 HA VAL 90 19.385 4.164 4.445
645 HB VAL 90 HB VAL 90 17.616 3.305 2.104
646 HG11 VAL 90 HG11 VAL 90 19.845 1.823 3.539
647 HG12 VAL 90 HG12 VAL 90 19.954 2.594 1.956
648 HG13 VAL 90 HG13 VAL 90 18.893 1.204 2.181
649 HG21 VAL 90 HG21 VAL 90 16.269 2.964 4.134
650 HG22 VAL 90 HG22 VAL 90 17.581 2.059 4.886
651 HG23 VAL 90 HG23 VAL 90 16.768 1.411 3.459
652 H SER 91 H SER 91 19.040 6.950 3.804
653 HA SER 91 HA SER 91 19.696 7.332 0.973
654 HB2 SER 91 HB2 SER 91 19.198 9.405 3.149
655 HB3 SER 91 HB3 SER 91 19.277 9.700 1.410
656 HG SER 91 HG SER 91 17.470 7.754 2.061
657 H LYS 92 H LYS 92 21.759 6.042 1.875
658 HA LYS 92 HA LYS 92 23.878 7.972 1.492
659 HB2 LYS 92 HB2 LYS 92 25.328 7.072 3.301
660 HB3 LYS 92 HB3 LYS 92 23.909 7.894 3.928
661 HG2 LYS 92 HG2 LYS 92 22.866 5.718 4.446
662 HG3 LYS 92 HG3 LYS 92 24.262 4.882 3.759
663 HD2 LYS 92 HD2 LYS 92 25.694 6.075 5.507
664 HD3 LYS 92 HD3 LYS 92 24.193 6.612 6.263
665 HE2 LYS 92 HE2 LYS 92 24.989 3.715 5.830
666 HE3 LYS 92 HE3 LYS 92 25.164 4.596 7.345
667 HZ1 LYS 92 HZ1 LYS 92 22.789 4.848 7.456
668 HZ2 LYS 92 HZ2 LYS 92 23.181 3.214 7.294
669 HZ3 LYS 92 HZ3 LYS 92 22.594 4.079 5.966
670 HA PRO 93 HA PRO 93 24.736 4.219 -0.998
671 HB2 PRO 93 HB2 PRO 93 25.646 5.440 -3.220
672 HB3 PRO 93 HB3 PRO 93 23.927 5.527 -2.780
673 HG2 PRO 93 HG2 PRO 93 26.052 7.601 -2.481
674 HG3 PRO 93 HG3 PRO 93 24.341 7.792 -2.915
675 HD2 PRO 93 HD2 PRO 93 25.442 8.175 -0.342
676 HD3 PRO 93 HD3 PRO 93 23.716 8.015 -0.725
677 H GLN 94 H GLN 94 26.680 5.991 0.824
678 HA GLN 94 HA GLN 94 29.288 5.655 -0.282
679 HB2 GLN 94 HB2 GLN 94 28.439 6.194 2.599
680 HB3 GLN 94 HB3 GLN 94 30.063 6.399 1.953
681 HG2 GLN 94 HG2 GLN 94 29.312 8.219 0.524
682 HG3 GLN 94 HG3 GLN 94 27.640 7.978 1.033
683 HE21 GLN 94 HE21 GLN 94 29.242 10.387 1.257
684 HE22 GLN 94 HE22 GLN 94 29.314 10.782 2.936
Start of MODEL 7
1 H1 SER 1 H1 SER 1 37.701 75.721 25.433
2 H2 SER 1 H2 SER 1 38.039 77.357 25.198
3 H3 SER 1 H3 SER 1 39.170 76.190 24.743
4 HA SER 1 HA SER 1 38.022 77.100 22.838
5 HB2 SER 1 HB2 SER 1 38.849 74.743 22.803
6 HB3 SER 1 HB3 SER 1 37.285 74.193 23.402
7 HG SER 1 HG SER 1 37.907 74.357 20.941
8 H HIS 2 H HIS 2 35.971 76.991 21.564
9 HA HIS 2 HA HIS 2 33.658 77.705 23.219
10 HB2 HIS 2 HB2 HIS 2 34.347 79.196 21.313
11 HB3 HIS 2 HB3 HIS 2 34.061 77.880 20.181
12 HD2 HIS 2 HD2 HIS 2 31.462 77.552 19.392
13 HE1 HIS 2 HE1 HIS 2 29.855 80.554 21.899
14 HE2 HIS 2 HE2 HIS 2 29.331 78.835 20.114
15 H MET 3 H MET 3 32.080 76.269 23.602
16 HA MET 3 HA MET 3 32.049 73.625 22.504
17 HB2 MET 3 HB2 MET 3 31.272 74.081 24.826
18 HB3 MET 3 HB3 MET 3 29.925 75.020 24.198
19 HG2 MET 3 HG2 MET 3 29.008 73.003 23.125
20 HG3 MET 3 HG3 MET 3 30.377 72.058 23.722
21 HE1 MET 3 HE1 MET 3 28.805 70.266 24.884
22 HE2 MET 3 HE2 MET 3 27.390 71.114 24.254
23 HE3 MET 3 HE3 MET 3 27.477 70.697 25.963
24 H SER 4 H SER 4 31.892 73.975 20.301
25 HA SER 4 HA SER 4 29.627 75.313 19.099
26 HB2 SER 4 HB2 SER 4 31.773 73.584 17.770
27 HB3 SER 4 HB3 SER 4 30.686 74.724 16.971
28 HG SER 4 HG SER 4 31.710 76.410 18.086
29 H GLY 5 H GLY 5 28.041 74.051 20.259
30 HA2 GLY 5 HA2 GLY 5 27.655 71.243 19.670
31 HA3 GLY 5 HA3 GLY 5 26.566 72.305 20.555
32 H GLY 6 H GLY 6 26.161 74.334 18.720
33 HA2 GLY 6 HA2 GLY 6 24.905 74.972 16.918
34 HA3 GLY 6 HA3 GLY 6 25.488 73.535 16.089
35 H SER 7 H SER 7 23.451 73.248 15.127
36 HA SER 7 HA SER 7 21.633 71.595 16.653
37 HB2 SER 7 HB2 SER 7 20.649 74.219 15.429
38 HB3 SER 7 HB3 SER 7 19.587 72.909 15.961
39 HG SER 7 HG SER 7 21.029 73.253 18.007
40 HA PRO 8 HA PRO 8 21.096 69.852 12.435
41 HB2 PRO 8 HB2 PRO 8 18.481 68.788 13.456
42 HB3 PRO 8 HB3 PRO 8 19.864 67.910 12.765
43 HG2 PRO 8 HG2 PRO 8 19.340 67.760 15.374
44 HG3 PRO 8 HG3 PRO 8 21.021 67.840 14.792
45 HD2 PRO 8 HD2 PRO 8 19.323 70.064 15.943
46 HD3 PRO 8 HD3 PRO 8 21.018 69.646 16.290
47 H LEU 9 H LEU 9 20.831 72.194 11.884
48 HA LEU 9 HA LEU 9 18.269 73.476 11.946
49 HB2 LEU 9 HB2 LEU 9 19.291 75.379 10.963
50 HB3 LEU 9 HB3 LEU 9 20.472 74.708 12.069
51 HG LEU 9 HG LEU 9 20.587 74.215 9.061
52 HD11 LEU 9 HD11 LEU 9 22.275 75.990 8.924
53 HD12 LEU 9 HD12 LEU 9 22.025 76.388 10.626
54 HD13 LEU 9 HD13 LEU 9 20.725 76.639 9.458
55 HD21 LEU 9 HD21 LEU 9 22.719 73.942 11.208
56 HD22 LEU 9 HD22 LEU 9 22.943 73.668 9.478
57 HD23 LEU 9 HD23 LEU 9 21.877 72.613 10.402
58 H ALA 10 H ALA 10 19.626 71.233 9.800
59 HA ALA 10 HA ALA 10 18.328 72.099 7.354
60 HB1 ALA 10 HB1 ALA 10 19.337 70.051 6.416
61 HB2 ALA 10 HB2 ALA 10 19.795 69.518 8.035
62 HB3 ALA 10 HB3 ALA 10 20.528 70.967 7.343
63 H THR 11 H THR 11 16.592 71.488 9.723
64 HA THR 11 HA THR 11 14.990 69.204 8.832
65 HB THR 11 HB THR 11 14.602 71.046 11.239
66 HG1 THR 11 HG1 THR 11 16.583 69.675 11.151
67 HG21 THR 11 HG21 THR 11 13.170 69.241 12.145
68 HG22 THR 11 HG22 THR 11 13.374 68.311 10.660
69 HG23 THR 11 HG23 THR 11 12.515 69.852 10.625
70 H GLY 12 H GLY 12 14.873 70.711 6.798
71 HA2 GLY 12 HA2 GLY 12 12.687 72.676 6.839
72 HA3 GLY 12 HA3 GLY 12 13.648 72.165 5.448
73 H THR 13 H THR 13 11.126 71.118 7.683
74 HA THR 13 HA THR 13 10.694 68.568 6.614
75 HB THR 13 HB THR 13 8.751 70.253 8.247
76 HG1 THR 13 HG1 THR 13 10.440 70.114 9.561
77 HG21 THR 13 HG21 THR 13 8.979 67.232 7.962
78 HG22 THR 13 HG22 THR 13 7.683 68.231 7.298
79 HG23 THR 13 HG23 THR 13 7.878 68.085 9.045
80 H THR 14 H THR 14 10.470 68.741 4.376
81 HA THR 14 HA THR 14 8.025 69.879 3.244
82 HB THR 14 HB THR 14 8.913 68.925 1.081
83 HG1 THR 14 HG1 THR 14 10.177 67.232 1.877
84 HG21 THR 14 HG21 THR 14 10.784 70.489 0.796
85 HG22 THR 14 HG22 THR 14 10.911 70.691 2.545
86 HG23 THR 14 HG23 THR 14 9.474 71.260 1.690
87 H ALA 15 H ALA 15 6.232 68.743 3.586
88 HA ALA 15 HA ALA 15 6.146 65.920 4.091
89 HB1 ALA 15 HB1 ALA 15 3.698 66.230 4.152
90 HB2 ALA 15 HB2 ALA 15 3.874 67.867 3.515
91 HB3 ALA 15 HB3 ALA 15 4.514 67.469 5.108
92 H ASN 16 H ASN 16 7.161 65.034 2.263
93 HA ASN 16 HA ASN 16 6.180 65.394 -0.441
94 HB2 ASN 16 HB2 ASN 16 8.093 63.258 0.620
95 HB3 ASN 16 HB3 ASN 16 7.877 63.730 -1.062
96 HD21 ASN 16 HD21 ASN 16 10.271 63.717 0.705
97 HD22 ASN 16 HD22 ASN 16 10.908 65.320 0.619
98 H THR 17 H THR 17 3.944 64.879 0.159
99 HA THR 17 HA THR 17 3.240 62.215 1.022
100 HB THR 17 HB THR 17 1.458 64.539 0.152
101 HG1 THR 17 HG1 THR 17 2.748 63.859 2.532
102 HG21 THR 17 HG21 THR 17 0.223 62.388 0.048
103 HG22 THR 17 HG22 THR 17 -0.341 63.373 1.398
104 HG23 THR 17 HG23 THR 17 0.735 62.008 1.699
105 H ARG 18 H ARG 18 3.876 60.810 -0.591
106 HA ARG 18 HA ARG 18 2.532 60.981 -3.219
107 HB2 ARG 18 HB2 ARG 18 5.096 60.397 -2.844
108 HB3 ARG 18 HB3 ARG 18 4.502 58.806 -2.407
109 HG2 ARG 18 HG2 ARG 18 4.067 60.175 -5.089
110 HG3 ARG 18 HG3 ARG 18 5.266 58.927 -4.764
111 HD2 ARG 18 HD2 ARG 18 3.422 57.332 -4.245
112 HD3 ARG 18 HD3 ARG 18 2.249 58.596 -4.630
113 HE ARG 18 HE ARG 18 4.146 57.952 -6.732
114 HH11 ARG 18 HH11 ARG 18 0.947 57.325 -5.404
115 HH12 ARG 18 HH12 ARG 18 0.330 56.678 -6.886
116 HH21 ARG 18 HH21 ARG 18 3.343 57.076 -8.637
117 HH22 ARG 18 HH22 ARG 18 1.697 56.535 -8.728
118 H GLY 19 H GLY 19 0.487 60.727 -2.072
119 HA2 GLY 19 HA2 GLY 19 -0.182 58.388 -0.551
120 HA3 GLY 19 HA3 GLY 19 -1.292 59.599 -1.165
121 H ALA 20 H ALA 20 0.504 56.677 -2.050
122 HA ALA 20 HA ALA 20 -1.128 56.193 -4.418
123 HB1 ALA 20 HB1 ALA 20 0.182 54.117 -4.620
124 HB2 ALA 20 HB2 ALA 20 0.934 54.430 -3.052
125 HB3 ALA 20 HB3 ALA 20 1.236 55.518 -4.409
126 H SER 21 H SER 21 -3.202 56.129 -3.558
127 HA SER 21 HA SER 21 -3.847 54.300 -1.354
128 HB2 SER 21 HB2 SER 21 -4.676 56.642 -1.249
129 HB3 SER 21 HB3 SER 21 -5.553 56.398 -2.762
130 HG SER 21 HG SER 21 -5.989 55.045 -0.294
131 H GLN 22 H GLN 22 -3.967 52.259 -2.192
132 HA GLN 22 HA GLN 22 -5.427 51.581 -4.596
133 HB2 GLN 22 HB2 GLN 22 -4.347 49.820 -2.338
134 HB3 GLN 22 HB3 GLN 22 -5.138 49.196 -3.779
135 HG2 GLN 22 HG2 GLN 22 -2.780 48.947 -4.103
136 HG3 GLN 22 HG3 GLN 22 -3.324 50.242 -5.165
137 HE21 GLN 22 HE21 GLN 22 -1.291 51.195 -5.335
138 HE22 GLN 22 HE22 GLN 22 -0.522 52.011 -4.018
139 H LYS 23 H LYS 23 -7.502 50.600 -4.687
140 HA LYS 23 HA LYS 23 -9.349 51.762 -2.844
141 HB2 LYS 23 HB2 LYS 23 -9.814 51.524 -5.290
142 HB3 LYS 23 HB3 LYS 23 -9.888 49.777 -5.100
143 HG2 LYS 23 HG2 LYS 23 -12.137 50.799 -5.237
144 HG3 LYS 23 HG3 LYS 23 -11.886 49.979 -3.689
145 HD2 LYS 23 HD2 LYS 23 -11.342 52.192 -2.652
146 HD3 LYS 23 HD3 LYS 23 -11.695 52.979 -4.192
147 HE2 LYS 23 HE2 LYS 23 -14.023 52.370 -4.041
148 HE3 LYS 23 HE3 LYS 23 -13.716 51.323 -2.650
149 HZ1 LYS 23 HZ1 LYS 23 -13.062 53.277 -1.371
150 HZ2 LYS 23 HZ2 LYS 23 -14.642 53.436 -1.947
151 HZ3 LYS 23 HZ3 LYS 23 -13.381 54.282 -2.694
152 H LYS 24 H LYS 24 -8.940 48.313 -3.767
153 HA LYS 24 HA LYS 24 -10.223 47.439 -1.290
154 HB2 LYS 24 HB2 LYS 24 -10.753 46.399 -3.516
155 HB3 LYS 24 HB3 LYS 24 -9.111 45.770 -3.586
156 HG2 LYS 24 HG2 LYS 24 -9.542 44.430 -1.550
157 HG3 LYS 24 HG3 LYS 24 -11.192 45.056 -1.481
158 HD2 LYS 24 HD2 LYS 24 -10.017 43.368 -3.732
159 HD3 LYS 24 HD3 LYS 24 -11.117 42.790 -2.481
160 HE2 LYS 24 HE2 LYS 24 -12.847 44.395 -3.334
161 HE3 LYS 24 HE3 LYS 24 -11.746 44.832 -4.641
162 HZ1 LYS 24 HZ1 LYS 24 -13.374 43.179 -5.338
163 HZ2 LYS 24 HZ2 LYS 24 -12.836 42.107 -4.148
164 HZ3 LYS 24 HZ3 LYS 24 -11.809 42.546 -5.418
165 H GLY 25 H GLY 25 -9.201 46.415 0.363
166 HA2 GLY 25 HA2 GLY 25 -6.353 45.664 0.224
167 HA3 GLY 25 HA3 GLY 25 -6.857 46.833 1.442
168 H GLY 26 H GLY 26 -9.358 45.767 2.091
169 HA2 GLY 26 HA2 GLY 26 -8.707 43.612 3.858
170 HA3 GLY 26 HA3 GLY 26 -10.284 44.343 3.615
171 H GLU 27 H GLU 27 -7.980 42.094 2.186
172 HA GLU 27 HA GLU 27 -9.792 40.807 0.381
173 HB2 GLU 27 HB2 GLU 27 -7.935 39.131 0.146
174 HB3 GLU 27 HB3 GLU 27 -7.404 40.795 -0.072
175 HG2 GLU 27 HG2 GLU 27 -6.594 40.776 2.323
176 HG3 GLU 27 HG3 GLU 27 -6.968 39.053 2.376
177 HA PRO 28 HA PRO 28 -11.931 38.186 3.362
178 HB2 PRO 28 HB2 PRO 28 -12.869 36.183 1.708
179 HB3 PRO 28 HB3 PRO 28 -13.551 37.820 1.737
180 HG2 PRO 28 HG2 PRO 28 -11.578 36.648 -0.196
181 HG3 PRO 28 HG3 PRO 28 -13.002 37.665 -0.515
182 HD2 PRO 28 HD2 PRO 28 -10.491 38.697 -0.472
183 HD3 PRO 28 HD3 PRO 28 -11.905 39.632 0.063
184 HA PRO 29 HA PRO 29 -8.726 35.127 4.484
185 HB2 PRO 29 HB2 PRO 29 -10.809 34.243 6.478
186 HB3 PRO 29 HB3 PRO 29 -9.115 34.721 6.741
187 HG2 PRO 29 HG2 PRO 29 -11.078 36.365 7.451
188 HG3 PRO 29 HG3 PRO 29 -9.603 37.012 6.691
189 HD2 PRO 29 HD2 PRO 29 -12.303 36.500 5.432
190 HD3 PRO 29 HD3 PRO 29 -11.223 37.904 5.252
191 H ALA 30 H ALA 30 -8.372 33.188 3.541
192 HA ALA 30 HA ALA 30 -10.457 31.717 2.219
193 HB1 ALA 30 HB1 ALA 30 -8.215 31.899 1.240
194 HB2 ALA 30 HB2 ALA 30 -8.631 30.209 1.502
195 HB3 ALA 30 HB3 ALA 30 -7.510 31.023 2.600
196 H LEU 31 H LEU 31 -11.569 29.973 2.934
197 HA LEU 31 HA LEU 31 -11.306 28.939 5.611
198 HB2 LEU 31 HB2 LEU 31 -13.500 29.126 4.412
199 HB3 LEU 31 HB3 LEU 31 -12.956 27.935 3.245
200 HG LEU 31 HG LEU 31 -12.864 26.223 5.106
201 HD11 LEU 31 HD11 LEU 31 -13.971 26.716 7.235
202 HD12 LEU 31 HD12 LEU 31 -14.167 28.405 6.758
203 HD13 LEU 31 HD13 LEU 31 -12.552 27.735 7.003
204 HD21 LEU 31 HD21 LEU 31 -15.553 27.573 4.704
205 HD22 LEU 31 HD22 LEU 31 -15.296 25.918 5.270
206 HD23 LEU 31 HD23 LEU 31 -14.821 26.373 3.635
207 H ILE 32 H ILE 32 -10.558 26.815 6.205
208 HA ILE 32 HA ILE 32 -8.513 25.650 4.554
209 HB ILE 32 HB ILE 32 -9.712 24.714 7.205
210 HG12 ILE 32 HG12 ILE 32 -7.395 25.288 8.091
211 HG13 ILE 32 HG13 ILE 32 -6.996 25.944 6.514
212 HG21 ILE 32 HG21 ILE 32 -7.886 23.029 7.327
213 HG22 ILE 32 HG22 ILE 32 -7.395 23.453 5.686
214 HG23 ILE 32 HG23 ILE 32 -8.972 22.715 5.970
215 HD11 ILE 32 HD11 ILE 32 -8.694 27.683 6.817
216 HD12 ILE 32 HD12 ILE 32 -7.501 27.693 8.114
217 HD13 ILE 32 HD13 ILE 32 -9.098 27.007 8.397
218 H VAL 33 H VAL 33 -9.434 25.050 2.662
219 HA VAL 33 HA VAL 33 -11.643 23.103 2.569
220 HB VAL 33 HB VAL 33 -10.253 24.585 0.267
221 HG11 VAL 33 HG11 VAL 33 -11.260 22.480 -0.499
222 HG12 VAL 33 HG12 VAL 33 -12.190 23.851 -1.106
223 HG13 VAL 33 HG13 VAL 33 -12.797 22.909 0.258
224 HG21 VAL 33 HG21 VAL 33 -11.443 26.154 1.743
225 HG22 VAL 33 HG22 VAL 33 -12.916 25.193 1.606
226 HG23 VAL 33 HG23 VAL 33 -12.264 26.013 0.186
227 H ASP 34 H ASP 34 -10.752 21.143 3.105
228 HA ASP 34 HA ASP 34 -8.546 20.123 1.400
229 HB2 ASP 34 HB2 ASP 34 -7.592 20.578 3.607
230 HB3 ASP 34 HB3 ASP 34 -8.908 19.720 4.403
231 HA PRO 35 HA PRO 35 -12.120 17.217 0.816
232 HB2 PRO 35 HB2 PRO 35 -10.831 16.911 -1.865
233 HB3 PRO 35 HB3 PRO 35 -12.512 17.321 -1.464
234 HG2 PRO 35 HG2 PRO 35 -10.845 19.156 -2.498
235 HG3 PRO 35 HG3 PRO 35 -12.077 19.598 -1.290
236 HD2 PRO 35 HD2 PRO 35 -9.122 19.131 -0.892
237 HD3 PRO 35 HD3 PRO 35 -10.166 20.418 -0.239
238 H LEU 36 H LEU 36 -8.684 17.103 0.492
239 HA LEU 36 HA LEU 36 -8.410 14.303 -0.060
240 HB2 LEU 36 HB2 LEU 36 -6.341 16.369 0.758
241 HB3 LEU 36 HB3 LEU 36 -5.976 14.748 0.185
242 HG LEU 36 HG LEU 36 -7.297 16.952 -1.463
243 HD11 LEU 36 HD11 LEU 36 -4.505 15.782 -1.671
244 HD12 LEU 36 HD12 LEU 36 -4.923 17.394 -1.085
245 HD13 LEU 36 HD13 LEU 36 -5.220 16.968 -2.769
246 HD21 LEU 36 HD21 LEU 36 -8.147 14.766 -2.136
247 HD22 LEU 36 HD22 LEU 36 -6.503 14.144 -2.294
248 HD23 LEU 36 HD23 LEU 36 -7.079 15.414 -3.378
249 H MET 37 H MET 37 -9.186 15.914 2.822
250 HA MET 37 HA MET 37 -7.955 14.377 4.804
251 HB2 MET 37 HB2 MET 37 -9.954 14.791 6.212
252 HB3 MET 37 HB3 MET 37 -9.438 16.247 5.374
253 HG2 MET 37 HG2 MET 37 -11.253 16.047 3.781
254 HG3 MET 37 HG3 MET 37 -11.722 14.485 4.449
255 HE1 MET 37 HE1 MET 37 -11.495 18.380 5.180
256 HE2 MET 37 HE2 MET 37 -10.601 17.687 6.536
257 HE3 MET 37 HE3 MET 37 -12.169 18.452 6.806
258 H LYS 38 H LYS 38 -10.597 13.537 2.644
259 HA LYS 38 HA LYS 38 -10.914 10.812 3.520
260 HB2 LYS 38 HB2 LYS 38 -12.683 12.054 2.247
261 HB3 LYS 38 HB3 LYS 38 -11.612 12.163 0.857
262 HG2 LYS 38 HG2 LYS 38 -13.283 10.399 0.543
263 HG3 LYS 38 HG3 LYS 38 -11.653 9.718 0.611
264 HD2 LYS 38 HD2 LYS 38 -12.042 9.084 2.993
265 HD3 LYS 38 HD3 LYS 38 -13.683 9.725 2.884
266 HE2 LYS 38 HE2 LYS 38 -14.237 8.043 1.180
267 HE3 LYS 38 HE3 LYS 38 -12.577 7.441 1.225
268 HZ1 LYS 38 HZ1 LYS 38 -14.468 7.397 3.522
269 HZ2 LYS 38 HZ2 LYS 38 -12.897 6.777 3.517
270 HZ3 LYS 38 HZ3 LYS 38 -14.083 6.072 2.544
271 H TYR 39 H TYR 39 -9.132 9.603 3.487
272 HA TYR 39 HA TYR 39 -6.764 10.020 2.164
273 HB2 TYR 39 HB2 TYR 39 -7.953 7.554 3.441
274 HB3 TYR 39 HB3 TYR 39 -6.382 7.466 2.661
275 HD1 TYR 39 HD2 TYR 39 -4.507 8.968 3.507
276 HD2 TYR 39 HD1 TYR 39 -8.140 8.401 5.686
277 HE1 TYR 39 HE2 TYR 39 -3.402 9.736 5.554
278 HE2 TYR 39 HE1 TYR 39 -7.026 9.161 7.743
279 HH TYR 39 HH TYR 39 -3.971 10.695 7.718
280 H ILE 40 H ILE 40 -8.828 7.236 1.398
281 HA ILE 40 HA ILE 40 -9.225 5.996 -0.450
282 HB ILE 40 HB ILE 40 -8.660 8.680 -1.764
283 HG12 ILE 40 HG12 ILE 40 -10.762 8.472 -0.481
284 HG13 ILE 40 HG13 ILE 40 -11.098 8.695 -2.194
285 HG21 ILE 40 HG21 ILE 40 -9.483 6.199 -3.298
286 HG22 ILE 40 HG22 ILE 40 -7.966 7.086 -3.452
287 HG23 ILE 40 HG23 ILE 40 -9.482 7.847 -3.931
288 HD11 ILE 40 HD11 ILE 40 -12.593 7.075 -1.207
289 HD12 ILE 40 HD12 ILE 40 -11.234 6.080 -0.687
290 HD13 ILE 40 HD13 ILE 40 -11.569 6.297 -2.411
291 H CYS 41 H CYS 41 -8.128 4.550 -1.926
292 HA CYS 41 HA CYS 41 -5.312 4.289 -1.723
293 HB2 CYS 41 HB2 CYS 41 -6.802 2.377 -2.203
294 HB3 CYS 41 HB3 CYS 41 -7.218 3.075 -3.764
295 H HIS 42 H HIS 42 -3.874 5.573 -2.649
296 HA HIS 42 HA HIS 42 -4.575 7.654 -4.440
297 HB2 HIS 42 HB2 HIS 42 -2.943 7.969 -2.632
298 HB3 HIS 42 HB3 HIS 42 -1.868 6.784 -3.346
299 HD1 HIS 42 HD1 HIS 42 -0.111 7.674 -4.836
300 HD2 HIS 42 HD2 HIS 42 -3.196 10.395 -4.296
301 HE1 HIS 42 HE1 HIS 42 0.620 9.749 -6.021
302 HE2 HIS 42 HE2 HIS 42 -1.154 11.445 -5.483
303 H ILE 43 H ILE 43 -3.890 4.475 -5.188
304 HA ILE 43 HA ILE 43 -2.914 5.141 -7.910
305 HB ILE 43 HB ILE 43 -2.855 2.483 -6.391
306 HG12 ILE 43 HG12 ILE 43 -0.631 4.327 -7.372
307 HG13 ILE 43 HG13 ILE 43 -1.139 4.130 -5.702
308 HG21 ILE 43 HG21 ILE 43 -1.674 1.550 -8.367
309 HG22 ILE 43 HG22 ILE 43 -1.963 3.054 -9.246
310 HG23 ILE 43 HG23 ILE 43 -3.322 2.037 -8.768
311 HD11 ILE 43 HD11 ILE 43 0.124 1.978 -7.400
312 HD12 ILE 43 HD12 ILE 43 -0.339 1.846 -5.701
313 HD13 ILE 43 HD13 ILE 43 0.932 2.966 -6.180
314 H CYS 44 H CYS 44 -5.511 3.507 -6.073
315 HA CYS 44 HA CYS 44 -6.777 2.424 -8.454
316 HB2 CYS 44 HB2 CYS 44 -7.658 2.403 -5.536
317 HB3 CYS 44 HB3 CYS 44 -8.420 1.497 -6.864
318 H ASN 45 H ASN 45 -7.392 4.975 -6.100
319 HA ASN 45 HA ASN 45 -8.578 6.857 -6.067
320 HB2 ASN 45 HB2 ASN 45 -8.036 7.188 -8.481
321 HB3 ASN 45 HB3 ASN 45 -9.494 6.303 -8.918
322 HD21 ASN 45 HD21 ASN 45 -9.008 8.715 -6.361
323 HD22 ASN 45 HD22 ASN 45 -10.133 9.860 -6.991
324 H ARG 46 H ARG 46 -10.271 4.000 -7.247
325 HA ARG 46 HA ARG 46 -12.879 4.887 -6.384
326 HB2 ARG 46 HB2 ARG 46 -11.948 2.100 -7.215
327 HB3 ARG 46 HB3 ARG 46 -13.613 2.645 -7.078
328 HG2 ARG 46 HG2 ARG 46 -11.563 3.572 -9.108
329 HG3 ARG 46 HG3 ARG 46 -12.986 2.573 -9.414
330 HD2 ARG 46 HD2 ARG 46 -13.000 5.481 -8.522
331 HD3 ARG 46 HD3 ARG 46 -13.359 4.883 -10.144
332 HE ARG 46 HE ARG 46 -15.056 3.674 -8.215
333 HH11 ARG 46 HH11 ARG 46 -14.649 6.690 -9.994
334 HH12 ARG 46 HH12 ARG 46 -16.334 7.106 -9.895
335 HH21 ARG 46 HH21 ARG 46 -17.236 4.236 -8.070
336 HH22 ARG 46 HH22 ARG 46 -17.803 5.709 -8.798
337 H GLY 47 H GLY 47 -10.481 2.494 -5.230
338 HA2 GLY 47 HA2 GLY 47 -9.903 2.241 -2.930
339 HA3 GLY 47 HA3 GLY 47 -11.499 2.805 -2.457
340 H ASP 48 H ASP 48 -13.329 1.355 -3.071
341 HA ASP 48 HA ASP 48 -14.475 -0.562 -3.145
342 HB2 ASP 48 HB2 ASP 48 -13.375 -0.725 -5.356
343 HB3 ASP 48 HB3 ASP 48 -12.032 -1.615 -4.640
344 H VAL 49 H VAL 49 -11.335 -2.266 -2.847
345 HA VAL 49 HA VAL 49 -12.243 -3.665 -0.444
346 HB VAL 49 HB VAL 49 -9.552 -3.893 -1.877
347 HG11 VAL 49 HG11 VAL 49 -9.426 -4.707 0.444
348 HG12 VAL 49 HG12 VAL 49 -9.324 -6.061 -0.683
349 HG13 VAL 49 HG13 VAL 49 -10.833 -5.744 0.177
350 HG21 VAL 49 HG21 VAL 49 -11.366 -4.543 -3.386
351 HG22 VAL 49 HG22 VAL 49 -12.003 -5.653 -2.172
352 HG23 VAL 49 HG23 VAL 49 -10.423 -5.955 -2.900
353 H GLU 50 H GLU 50 -12.340 -1.959 1.071
354 HA GLU 50 HA GLU 50 -10.152 -0.273 1.807
355 HB2 GLU 50 HB2 GLU 50 -12.536 0.231 2.277
356 HB3 GLU 50 HB3 GLU 50 -12.611 -1.125 3.395
357 HG2 GLU 50 HG2 GLU 50 -10.953 -0.006 4.856
358 HG3 GLU 50 HG3 GLU 50 -10.880 1.352 3.734
359 H GLU 51 H GLU 51 -11.098 -3.508 2.659
360 HA GLU 51 HA GLU 51 -9.846 -3.942 5.089
361 HB2 GLU 51 HB2 GLU 51 -10.334 -5.885 2.798
362 HB3 GLU 51 HB3 GLU 51 -9.960 -6.360 4.455
363 HG2 GLU 51 HG2 GLU 51 -12.050 -5.334 5.252
364 HG3 GLU 51 HG3 GLU 51 -12.408 -4.758 3.626
365 H SER 52 H SER 52 -8.400 -4.030 1.842
366 HA SER 52 HA SER 52 -5.767 -4.756 2.999
367 HB2 SER 52 HB2 SER 52 -6.676 -4.719 0.094
368 HB3 SER 52 HB3 SER 52 -5.089 -5.235 0.668
369 HG SER 52 HG SER 52 -6.500 -6.714 2.059
370 H MET 53 H MET 53 -7.254 -2.004 2.901
371 HA MET 53 HA MET 53 -5.372 -0.356 1.379
372 HB2 MET 53 HB2 MET 53 -7.784 0.253 1.358
373 HB3 MET 53 HB3 MET 53 -7.772 0.457 3.104
374 HG2 MET 53 HG2 MET 53 -6.158 2.336 2.835
375 HG3 MET 53 HG3 MET 53 -6.261 2.147 1.086
376 HE1 MET 53 HE1 MET 53 -8.503 2.642 -0.333
377 HE2 MET 53 HE2 MET 53 -10.020 3.146 0.408
378 HE3 MET 53 HE3 MET 53 -9.415 1.510 0.671
379 H LEU 54 H LEU 54 -3.459 -0.208 2.322
380 HA LEU 54 HA LEU 54 -3.009 -0.247 5.201
381 HB2 LEU 54 HB2 LEU 54 -1.049 0.032 2.877
382 HB3 LEU 54 HB3 LEU 54 -0.611 -0.262 4.552
383 HG LEU 54 HG LEU 54 -2.173 -2.201 2.801
384 HD11 LEU 54 HD11 LEU 54 0.109 -1.965 2.016
385 HD12 LEU 54 HD12 LEU 54 -0.084 -3.524 2.811
386 HD13 LEU 54 HD13 LEU 54 0.739 -2.206 3.647
387 HD21 LEU 54 HD21 LEU 54 -1.752 -3.828 4.610
388 HD22 LEU 54 HD22 LEU 54 -2.736 -2.477 5.162
389 HD23 LEU 54 HD23 LEU 54 -1.026 -2.549 5.593
390 H LEU 55 H LEU 55 -1.905 1.473 6.316
391 HA LEU 55 HA LEU 55 -2.403 4.170 5.164
392 HB2 LEU 55 HB2 LEU 55 -3.811 3.252 7.183
393 HB3 LEU 55 HB3 LEU 55 -2.364 3.457 8.141
394 HG LEU 55 HG LEU 55 -4.049 5.313 8.393
395 HD11 LEU 55 HD11 LEU 55 -2.531 7.216 8.275
396 HD12 LEU 55 HD12 LEU 55 -1.405 6.286 7.280
397 HD13 LEU 55 HD13 LEU 55 -1.721 5.800 8.947
398 HD21 LEU 55 HD21 LEU 55 -4.890 5.317 6.093
399 HD22 LEU 55 HD22 LEU 55 -3.356 5.980 5.520
400 HD23 LEU 55 HD23 LEU 55 -4.384 6.927 6.596
401 H CYS 56 H CYS 56 -0.488 5.238 4.730
402 HA CYS 56 HA CYS 56 2.065 4.475 5.857
403 HB2 CYS 56 HB2 CYS 56 1.678 5.302 3.487
404 HB3 CYS 56 HB3 CYS 56 1.411 6.898 4.132
405 H ASP 57 H ASP 57 1.905 4.859 8.053
406 HA ASP 57 HA ASP 57 0.833 7.267 9.204
407 HB2 ASP 57 HB2 ASP 57 0.694 5.117 10.360
408 HB3 ASP 57 HB3 ASP 57 2.448 5.003 10.415
409 H GLY 58 H GLY 58 2.006 8.978 8.436
410 HA2 GLY 58 HA2 GLY 58 3.877 10.117 10.012
411 HA3 GLY 58 HA3 GLY 58 4.868 9.230 8.852
412 H CYS 59 H CYS 59 3.379 9.421 6.558
413 HA CYS 59 HA CYS 59 3.803 12.295 5.891
414 HB2 CYS 59 HB2 CYS 59 4.273 11.238 3.579
415 HB3 CYS 59 HB3 CYS 59 5.465 10.936 4.876
416 H ASP 60 H ASP 60 1.417 9.888 6.143
417 HA ASP 60 HA ASP 60 -0.818 9.952 5.878
418 HB2 ASP 60 HB2 ASP 60 -0.632 12.410 6.403
419 HB3 ASP 60 HB3 ASP 60 -0.469 12.757 4.690
420 H ASP 61 H ASP 61 -0.442 8.198 4.396
421 HA ASP 61 HA ASP 61 -1.481 8.783 1.706
422 HB2 ASP 61 HB2 ASP 61 0.781 6.781 2.099
423 HB3 ASP 61 HB3 ASP 61 0.073 7.291 0.582
424 H SER 62 H SER 62 -2.364 6.821 0.656
425 HA SER 62 HA SER 62 -2.747 4.450 2.324
426 HB2 SER 62 HB2 SER 62 -5.092 6.006 1.125
427 HB3 SER 62 HB3 SER 62 -5.202 4.374 1.787
428 HG SER 62 HG SER 62 -3.994 5.938 3.574
429 H TYR 63 H TYR 63 -2.367 2.705 1.193
430 HA TYR 63 HA TYR 63 -2.971 2.543 -1.699
431 HB2 TYR 63 HB2 TYR 63 -0.255 1.796 -0.487
432 HB3 TYR 63 HB3 TYR 63 -0.753 1.468 -2.141
433 HD1 TYR 63 HD2 TYR 63 -1.104 3.380 -3.741
434 HD2 TYR 63 HD1 TYR 63 0.630 3.965 0.114
435 HE1 TYR 63 HE2 TYR 63 -0.236 5.559 -4.450
436 HE2 TYR 63 HE1 TYR 63 1.497 6.146 -0.602
437 HH TYR 63 HH TYR 63 2.057 7.330 -2.674
438 H HIS 64 H HIS 64 -3.575 0.432 -2.349
439 HA HIS 64 HA HIS 64 -3.920 -1.591 -0.297
440 HB2 HIS 64 HB2 HIS 64 -4.140 -1.953 -3.316
441 HB3 HIS 64 HB3 HIS 64 -4.741 -3.059 -2.092
442 HD2 HIS 64 HD2 HIS 64 -6.580 -1.271 -0.307
443 HE1 HIS 64 HE1 HIS 64 -8.329 0.002 -3.937
444 HE2 HIS 64 HE2 HIS 64 -8.744 -0.453 -1.483
445 H THR 65 H THR 65 -2.927 -3.704 -0.425
446 HA THR 65 HA THR 65 -0.141 -3.808 -0.857
447 HB THR 65 HB THR 65 -0.495 -6.323 -0.657
448 HG1 THR 65 HG1 THR 65 -2.513 -7.118 -0.505
449 HG21 THR 65 HG21 THR 65 -1.827 -4.586 1.446
450 HG22 THR 65 HG22 THR 65 -0.098 -4.928 1.330
451 HG23 THR 65 HG23 THR 65 -1.230 -6.226 1.693
452 H PHE 66 H PHE 66 -2.906 -4.839 -2.798
453 HA PHE 66 HA PHE 66 -1.243 -5.592 -5.087
454 HB2 PHE 66 HB2 PHE 66 -3.378 -6.393 -6.095
455 HB3 PHE 66 HB3 PHE 66 -3.026 -7.157 -4.561
456 HD1 PHE 66 HD1 PHE 66 -4.293 -6.276 -2.461
457 HD2 PHE 66 HD2 PHE 66 -5.500 -5.368 -6.469
458 HE1 PHE 66 HE1 PHE 66 -6.563 -5.725 -1.673
459 HE2 PHE 66 HE2 PHE 66 -7.760 -4.815 -5.665
460 HZ PHE 66 HZ PHE 66 -8.289 -4.994 -3.267
461 H CYS 67 H CYS 67 -0.835 -3.019 -4.648
462 HA CYS 67 HA CYS 67 -2.016 -1.665 -6.998
463 HB2 CYS 67 HB2 CYS 67 -1.582 -0.405 -4.234
464 HB3 CYS 67 HB3 CYS 67 -1.814 0.544 -5.712
465 H LEU 68 H LEU 68 0.442 -1.449 -4.475
466 HA LEU 68 HA LEU 68 2.419 -0.132 -6.042
467 HB2 LEU 68 HB2 LEU 68 2.610 -1.659 -3.417
468 HB3 LEU 68 HB3 LEU 68 3.888 -0.648 -4.074
469 HG LEU 68 HG LEU 68 1.136 0.406 -3.271
470 HD11 LEU 68 HD11 LEU 68 3.759 0.529 -1.751
471 HD12 LEU 68 HD12 LEU 68 2.339 -0.419 -1.311
472 HD13 LEU 68 HD13 LEU 68 2.254 1.339 -1.295
473 HD21 LEU 68 HD21 LEU 68 2.255 1.763 -4.997
474 HD22 LEU 68 HD22 LEU 68 3.695 1.886 -3.983
475 HD23 LEU 68 HD23 LEU 68 2.175 2.619 -3.459
476 H LEU 69 H LEU 69 3.246 -1.175 -7.801
477 HA LEU 69 HA LEU 69 3.626 -4.013 -7.898
478 HB2 LEU 69 HB2 LEU 69 4.567 -3.602 -10.173
479 HB3 LEU 69 HB3 LEU 69 2.941 -3.013 -9.912
480 HG LEU 69 HG LEU 69 4.144 -0.673 -9.511
481 HD11 LEU 69 HD11 LEU 69 6.137 -0.325 -10.898
482 HD12 LEU 69 HD12 LEU 69 6.216 -2.056 -11.243
483 HD13 LEU 69 HD13 LEU 69 6.465 -1.468 -9.597
484 HD21 LEU 69 HD21 LEU 69 3.778 -1.870 -12.261
485 HD22 LEU 69 HD22 LEU 69 3.881 -0.146 -11.895
486 HD23 LEU 69 HD23 LEU 69 2.536 -1.098 -11.272
487 HA PRO 70 HA PRO 70 4.935 -5.801 -8.569
488 HB2 PRO 70 HB2 PRO 70 6.558 -7.368 -6.612
489 HB3 PRO 70 HB3 PRO 70 6.492 -7.514 -8.381
490 HG2 PRO 70 HG2 PRO 70 8.664 -6.527 -7.133
491 HG3 PRO 70 HG3 PRO 70 8.151 -5.931 -8.728
492 HD2 PRO 70 HD2 PRO 70 7.690 -4.684 -6.011
493 HD3 PRO 70 HD3 PRO 70 8.224 -3.918 -7.530
494 HA PRO 71 HA PRO 71 1.686 -5.410 -5.540
495 HB2 PRO 71 HB2 PRO 71 0.361 -7.882 -6.005
496 HB3 PRO 71 HB3 PRO 71 0.109 -6.379 -6.907
497 HG2 PRO 71 HG2 PRO 71 1.833 -8.719 -7.613
498 HG3 PRO 71 HG3 PRO 71 0.800 -7.724 -8.665
499 HD2 PRO 71 HD2 PRO 71 3.438 -7.370 -8.665
500 HD3 PRO 71 HD3 PRO 71 2.356 -5.961 -8.750
501 H LEU 72 H LEU 72 1.923 -5.614 -3.421
502 HA LEU 72 HA LEU 72 3.637 -7.415 -2.120
503 HB2 LEU 72 HB2 LEU 72 1.419 -5.750 -0.868
504 HB3 LEU 72 HB3 LEU 72 2.830 -6.385 -0.041
505 HG LEU 72 HG LEU 72 2.875 -4.229 -2.197
506 HD11 LEU 72 HD11 LEU 72 3.417 -2.659 -0.390
507 HD12 LEU 72 HD12 LEU 72 3.226 -3.941 0.807
508 HD13 LEU 72 HD13 LEU 72 1.837 -3.400 -0.141
509 HD21 LEU 72 HD21 LEU 72 5.235 -3.900 -1.565
510 HD22 LEU 72 HD22 LEU 72 4.953 -5.514 -2.212
511 HD23 LEU 72 HD23 LEU 72 5.140 -5.285 -0.471
512 H THR 73 H THR 73 3.082 -9.541 -2.461
513 HA THR 73 HA THR 73 0.548 -10.725 -2.315
514 HB THR 73 HB THR 73 3.208 -12.094 -1.713
515 HG1 THR 73 HG1 THR 73 1.996 -11.548 -4.240
516 HG21 THR 73 HG21 THR 73 0.675 -13.202 -3.001
517 HG22 THR 73 HG22 THR 73 1.215 -13.547 -1.355
518 HG23 THR 73 HG23 THR 73 2.177 -14.088 -2.732
519 H SER 74 H SER 74 2.908 -9.997 0.176
520 HA SER 74 HA SER 74 1.275 -11.249 2.301
521 HB2 SER 74 HB2 SER 74 3.290 -10.722 3.753
522 HB3 SER 74 HB3 SER 74 3.609 -11.853 2.445
523 HG SER 74 HG SER 74 4.346 -9.143 2.672
524 H ILE 75 H ILE 75 -0.049 -10.017 3.374
525 HA ILE 75 HA ILE 75 -0.020 -7.099 3.219
526 HB ILE 75 HB ILE 75 -2.114 -8.930 4.510
527 HG12 ILE 75 HG12 ILE 75 -1.972 -7.773 1.688
528 HG13 ILE 75 HG13 ILE 75 -1.884 -9.471 2.127
529 HG21 ILE 75 HG21 ILE 75 -3.633 -6.976 4.358
530 HG22 ILE 75 HG22 ILE 75 -2.325 -6.001 3.688
531 HG23 ILE 75 HG23 ILE 75 -2.219 -6.595 5.346
532 HD11 ILE 75 HD11 ILE 75 -4.299 -7.686 2.381
533 HD12 ILE 75 HD12 ILE 75 -4.217 -9.386 2.858
534 HD13 ILE 75 HD13 ILE 75 -4.014 -8.931 1.167
535 HA PRO 76 HA PRO 76 2.191 -7.242 7.212
536 HB2 PRO 76 HB2 PRO 76 2.571 -4.506 7.503
537 HB3 PRO 76 HB3 PRO 76 3.549 -5.528 6.430
538 HG2 PRO 76 HG2 PRO 76 1.227 -3.764 5.737
539 HG3 PRO 76 HG3 PRO 76 2.781 -3.967 4.891
540 HD2 PRO 76 HD2 PRO 76 0.518 -5.203 4.046
541 HD3 PRO 76 HD3 PRO 76 2.119 -5.948 3.861
542 H LYS 77 H LYS 77 1.307 -7.492 9.135
543 HA LYS 77 HA LYS 77 -1.230 -6.345 9.939
544 HB2 LYS 77 HB2 LYS 77 -0.635 -8.654 10.625
545 HB3 LYS 77 HB3 LYS 77 0.780 -8.052 11.484
546 HG2 LYS 77 HG2 LYS 77 -0.743 -6.756 12.998
547 HG3 LYS 77 HG3 LYS 77 -2.130 -7.506 12.194
548 HD2 LYS 77 HD2 LYS 77 -1.315 -9.753 12.909
549 HD3 LYS 77 HD3 LYS 77 0.078 -8.995 13.687
550 HE2 LYS 77 HE2 LYS 77 -1.468 -7.782 15.214
551 HE3 LYS 77 HE3 LYS 77 -2.832 -8.608 14.461
552 HZ1 LYS 77 HZ1 LYS 77 -2.123 -9.632 16.559
553 HZ2 LYS 77 HZ2 LYS 77 -0.609 -9.982 15.897
554 HZ3 LYS 77 HZ3 LYS 77 -2.000 -10.710 15.264
555 H GLY 78 H GLY 78 2.205 -5.962 10.624
556 HA2 GLY 78 HA2 GLY 78 2.005 -4.059 12.762
557 HA3 GLY 78 HA3 GLY 78 3.447 -4.489 11.852
558 H GLU 79 H GLU 79 3.499 -2.024 12.392
559 HA GLU 79 HA GLU 79 1.992 -0.203 10.849
560 HB2 GLU 79 HB2 GLU 79 3.283 0.307 12.995
561 HB3 GLU 79 HB3 GLU 79 4.756 0.299 12.033
562 HG2 GLU 79 HG2 GLU 79 3.913 2.587 12.446
563 HG3 GLU 79 HG3 GLU 79 3.968 2.196 10.725
564 H TRP 80 H TRP 80 2.532 0.941 8.932
565 HA TRP 80 HA TRP 80 4.629 -0.247 7.224
566 HB2 TRP 80 HB2 TRP 80 2.634 -1.518 6.739
567 HB3 TRP 80 HB3 TRP 80 1.635 -0.074 6.679
568 HD1 TRP 80 HD1 TRP 80 4.072 -2.135 4.525
569 HE1 TRP 80 HE1 TRP 80 3.816 -1.371 2.084
570 HE3 TRP 80 HE3 TRP 80 1.076 1.952 5.251
571 HZ2 TRP 80 HZ2 TRP 80 2.505 0.692 0.655
572 HZ3 TRP 80 HZ3 TRP 80 0.366 3.270 3.292
573 HH2 TRP 80 HH2 TRP 80 1.072 2.649 1.039
574 H LEU 81 H LEU 81 5.509 1.094 5.786
575 HA LEU 81 HA LEU 81 4.364 3.776 5.281
576 HB2 LEU 81 HB2 LEU 81 7.296 3.033 5.680
577 HB3 LEU 81 HB3 LEU 81 6.779 4.563 4.987
578 HG LEU 81 HG LEU 81 6.115 3.632 7.819
579 HD11 LEU 81 HD11 LEU 81 8.509 4.174 7.579
580 HD12 LEU 81 HD12 LEU 81 7.671 5.358 8.579
581 HD13 LEU 81 HD13 LEU 81 8.090 5.755 6.910
582 HD21 LEU 81 HD21 LEU 81 5.279 5.923 8.131
583 HD22 LEU 81 HD22 LEU 81 4.372 5.064 6.891
584 HD23 LEU 81 HD23 LEU 81 5.578 6.267 6.424
585 H CYS 82 H CYS 82 4.429 4.470 3.179
586 HA CYS 82 HA CYS 82 4.557 2.538 1.098
587 HB2 CYS 82 HB2 CYS 82 4.116 4.579 -0.356
588 HB3 CYS 82 HB3 CYS 82 2.952 4.319 0.948
589 HA PRO 83 HA PRO 83 8.916 2.657 -0.215
590 HB2 PRO 83 HB2 PRO 83 7.609 2.784 -2.955
591 HB3 PRO 83 HB3 PRO 83 8.954 1.763 -2.384
592 HG2 PRO 83 HG2 PRO 83 6.521 0.723 -2.600
593 HG3 PRO 83 HG3 PRO 83 7.554 0.312 -1.211
594 HD2 PRO 83 HD2 PRO 83 5.169 2.125 -1.313
595 HD3 PRO 83 HD3 PRO 83 5.737 1.076 0.005
596 H ARG 84 H ARG 84 6.549 4.911 -1.551
597 HA ARG 84 HA ARG 84 8.031 6.930 -2.673
598 HB2 ARG 84 HB2 ARG 84 5.574 6.997 -2.620
599 HB3 ARG 84 HB3 ARG 84 5.573 7.131 -0.866
600 HG2 ARG 84 HG2 ARG 84 6.838 9.351 -1.204
601 HG3 ARG 84 HG3 ARG 84 6.395 9.217 -2.900
602 HD2 ARG 84 HD2 ARG 84 4.026 9.343 -2.337
603 HD3 ARG 84 HD3 ARG 84 4.397 9.290 -0.605
604 HE ARG 84 HE ARG 84 5.579 11.464 -2.178
605 HH11 ARG 84 HH11 ARG 84 3.052 10.571 0.136
606 HH12 ARG 84 HH12 ARG 84 2.750 12.214 0.597
607 HH21 ARG 84 HH21 ARG 84 5.164 13.580 -1.553
608 HH22 ARG 84 HH22 ARG 84 3.948 13.927 -0.362
609 H CYS 85 H CYS 85 7.132 6.705 0.759
610 HA CYS 85 HA CYS 85 8.616 9.065 1.439
611 HB2 CYS 85 HB2 CYS 85 7.061 7.146 3.207
612 HB3 CYS 85 HB3 CYS 85 7.493 8.830 3.563
613 H VAL 86 H VAL 86 9.101 5.615 1.637
614 HA VAL 86 HA VAL 86 11.224 5.501 3.504
615 HB VAL 86 HB VAL 86 10.773 3.729 1.041
616 HG11 VAL 86 HG11 VAL 86 12.092 2.005 2.256
617 HG12 VAL 86 HG12 VAL 86 12.420 3.172 3.542
618 HG13 VAL 86 HG13 VAL 86 13.058 3.441 1.919
619 HG21 VAL 86 HG21 VAL 86 8.821 3.748 2.548
620 HG22 VAL 86 HG22 VAL 86 9.858 3.334 3.914
621 HG23 VAL 86 HG23 VAL 86 9.627 2.177 2.598
622 H VAL 87 H VAL 87 11.096 6.434 0.102
623 HA VAL 87 HA VAL 87 13.974 6.850 -0.121
624 HB VAL 87 HB VAL 87 11.725 7.524 -2.080
625 HG11 VAL 87 HG11 VAL 87 14.727 7.501 -2.583
626 HG12 VAL 87 HG12 VAL 87 13.694 8.929 -2.534
627 HG13 VAL 87 HG13 VAL 87 13.477 7.732 -3.811
628 HG21 VAL 87 HG21 VAL 87 12.448 5.511 -3.319
629 HG22 VAL 87 HG22 VAL 87 11.908 5.110 -1.689
630 HG23 VAL 87 HG23 VAL 87 13.633 5.159 -2.056
631 H GLU 88 H GLU 88 11.021 8.838 0.189
632 HA GLU 88 HA GLU 88 12.366 11.319 -0.403
633 HB2 GLU 88 HB2 GLU 88 9.504 10.697 0.377
634 HB3 GLU 88 HB3 GLU 88 10.069 12.359 0.209
635 HG2 GLU 88 HG2 GLU 88 10.826 11.691 -2.160
636 HG3 GLU 88 HG3 GLU 88 9.872 10.228 -1.933
637 H GLU 89 H GLU 89 11.977 9.648 2.566
638 HA GLU 89 HA GLU 89 12.165 12.018 4.248
639 HB2 GLU 89 HB2 GLU 89 12.456 9.056 4.864
640 HB3 GLU 89 HB3 GLU 89 12.646 10.308 6.091
641 HG2 GLU 89 HG2 GLU 89 10.312 11.063 5.646
642 HG3 GLU 89 HG3 GLU 89 10.130 9.757 4.474
643 H VAL 90 H VAL 90 14.394 10.180 2.418
644 HA VAL 90 HA VAL 90 16.706 11.428 3.819
645 HB VAL 90 HB VAL 90 16.738 8.908 2.074
646 HG11 VAL 90 HG11 VAL 90 18.926 10.109 3.815
647 HG12 VAL 90 HG12 VAL 90 18.879 10.119 2.049
648 HG13 VAL 90 HG13 VAL 90 19.028 8.591 2.917
649 HG21 VAL 90 HG21 VAL 90 16.860 9.094 5.110
650 HG22 VAL 90 HG22 VAL 90 17.053 7.620 4.156
651 HG23 VAL 90 HG23 VAL 90 15.507 8.471 4.161
652 H SER 91 H SER 91 18.098 12.657 2.575
653 HA SER 91 HA SER 91 17.911 12.614 -0.362
654 HB2 SER 91 HB2 SER 91 18.061 15.158 -0.350
655 HB3 SER 91 HB3 SER 91 16.524 14.518 0.225
656 HG SER 91 HG SER 91 18.653 15.604 1.742
657 H LYS 92 H LYS 92 19.880 11.742 -0.729
658 HA LYS 92 HA LYS 92 22.102 11.463 -0.974
659 HB2 LYS 92 HB2 LYS 92 22.131 14.363 -0.057
660 HB3 LYS 92 HB3 LYS 92 23.644 13.502 -0.300
661 HG2 LYS 92 HG2 LYS 92 23.207 14.757 -2.282
662 HG3 LYS 92 HG3 LYS 92 22.951 13.055 -2.667
663 HD2 LYS 92 HD2 LYS 92 20.494 13.402 -2.458
664 HD3 LYS 92 HD3 LYS 92 20.779 15.110 -2.103
665 HE2 LYS 92 HE2 LYS 92 21.806 15.391 -4.341
666 HE3 LYS 92 HE3 LYS 92 21.516 13.683 -4.682
667 HZ1 LYS 92 HZ1 LYS 92 19.826 15.088 -5.676
668 HZ2 LYS 92 HZ2 LYS 92 19.424 15.727 -4.166
669 HZ3 LYS 92 HZ3 LYS 92 19.134 14.097 -4.491
670 HA PRO 93 HA PRO 93 24.184 9.897 2.852
671 HB2 PRO 93 HB2 PRO 93 26.362 11.868 2.040
672 HB3 PRO 93 HB3 PRO 93 26.527 10.216 2.683
673 HG2 PRO 93 HG2 PRO 93 26.776 10.637 0.077
674 HG3 PRO 93 HG3 PRO 93 25.895 9.210 0.669
675 HD2 PRO 93 HD2 PRO 93 24.815 11.692 -0.595
676 HD3 PRO 93 HD3 PRO 93 24.145 10.046 -0.585
677 H GLN 94 H GLN 94 23.060 10.641 4.556
678 HA GLN 94 HA GLN 94 23.239 13.469 5.426
679 HB2 GLN 94 HB2 GLN 94 21.051 12.986 4.450
680 HB3 GLN 94 HB3 GLN 94 20.864 11.551 5.448
681 HG2 GLN 94 HG2 GLN 94 20.644 12.908 7.457
682 HG3 GLN 94 HG3 GLN 94 21.019 14.373 6.549
683 HE21 GLN 94 HE21 GLN 94 19.003 15.241 7.343
684 HE22 GLN 94 HE22 GLN 94 17.513 14.809 6.584
Start of MODEL 8
1 H1 SER 1 H1 SER 1 5.517 103.222 5.110
2 H2 SER 1 H2 SER 1 4.817 101.704 5.355
3 H3 SER 1 H3 SER 1 6.273 102.097 6.115
4 HA SER 1 HA SER 1 4.422 102.178 7.655
5 HB2 SER 1 HB2 SER 1 5.651 104.905 7.043
6 HB3 SER 1 HB3 SER 1 4.939 104.426 8.586
7 HG SER 1 HG SER 1 6.567 102.938 8.862
8 H HIS 2 H HIS 2 2.276 101.970 7.250
9 HA HIS 2 HA HIS 2 0.658 104.255 6.499
10 HB2 HIS 2 HB2 HIS 2 -0.399 103.175 4.526
11 HB3 HIS 2 HB3 HIS 2 1.323 103.411 4.258
12 HD2 HIS 2 HD2 HIS 2 -1.260 100.655 4.024
13 HE1 HIS 2 HE1 HIS 2 2.523 98.762 4.073
14 HE2 HIS 2 HE2 HIS 2 0.029 98.421 3.792
15 H MET 3 H MET 3 -1.775 103.440 6.374
16 HA MET 3 HA MET 3 -2.411 101.906 8.709
17 HB2 MET 3 HB2 MET 3 -4.242 102.677 6.389
18 HB3 MET 3 HB3 MET 3 -4.767 102.048 7.944
19 HG2 MET 3 HG2 MET 3 -5.154 104.404 7.943
20 HG3 MET 3 HG3 MET 3 -3.797 104.091 9.027
21 HE1 MET 3 HE1 MET 3 -4.897 105.380 5.488
22 HE2 MET 3 HE2 MET 3 -3.702 104.157 5.058
23 HE3 MET 3 HE3 MET 3 -3.356 105.860 4.773
24 H SER 4 H SER 4 -1.949 99.800 8.775
25 HA SER 4 HA SER 4 -2.582 98.033 6.500
26 HB2 SER 4 HB2 SER 4 -0.164 98.652 6.325
27 HB3 SER 4 HB3 SER 4 0.098 98.077 7.967
28 HG SER 4 HG SER 4 0.694 96.448 6.580
29 H GLY 5 H GLY 5 -2.748 95.792 7.104
30 HA2 GLY 5 HA2 GLY 5 -3.799 95.251 9.742
31 HA3 GLY 5 HA3 GLY 5 -3.572 94.096 8.432
32 H GLY 6 H GLY 6 -0.690 95.086 8.203
33 HA2 GLY 6 HA2 GLY 6 1.395 94.699 9.152
34 HA3 GLY 6 HA3 GLY 6 0.613 94.196 10.647
35 H SER 7 H SER 7 -0.543 92.065 10.532
36 HA SER 7 HA SER 7 0.320 90.166 8.498
37 HB2 SER 7 HB2 SER 7 0.944 89.758 11.461
38 HB3 SER 7 HB3 SER 7 1.139 88.525 10.216
39 HG SER 7 HG SER 7 2.463 90.534 9.288
40 HA PRO 8 HA PRO 8 -3.862 88.727 9.635
41 HB2 PRO 8 HB2 PRO 8 -4.084 86.595 7.991
42 HB3 PRO 8 HB3 PRO 8 -3.995 88.241 7.329
43 HG2 PRO 8 HG2 PRO 8 -1.833 86.175 7.542
44 HG3 PRO 8 HG3 PRO 8 -2.242 87.244 6.181
45 HD2 PRO 8 HD2 PRO 8 -0.214 87.773 7.985
46 HD3 PRO 8 HD3 PRO 8 -1.064 89.023 7.054
47 H LEU 9 H LEU 9 -4.889 86.450 10.225
48 HA LEU 9 HA LEU 9 -3.484 85.442 12.531
49 HB2 LEU 9 HB2 LEU 9 -6.048 84.442 11.221
50 HB3 LEU 9 HB3 LEU 9 -5.464 83.957 12.805
51 HG LEU 9 HG LEU 9 -6.367 86.761 12.047
52 HD11 LEU 9 HD11 LEU 9 -7.792 84.686 13.744
53 HD12 LEU 9 HD12 LEU 9 -8.258 85.204 12.122
54 HD13 LEU 9 HD13 LEU 9 -8.328 86.346 13.463
55 HD21 LEU 9 HD21 LEU 9 -6.199 87.279 14.449
56 HD22 LEU 9 HD22 LEU 9 -4.636 86.836 13.769
57 HD23 LEU 9 HD23 LEU 9 -5.529 85.674 14.753
58 H ALA 10 H ALA 10 -2.106 83.744 12.596
59 HA ALA 10 HA ALA 10 -1.524 82.135 10.270
60 HB1 ALA 10 HB1 ALA 10 0.202 81.092 11.689
61 HB2 ALA 10 HB2 ALA 10 -0.443 81.924 13.105
62 HB3 ALA 10 HB3 ALA 10 0.282 82.852 11.791
63 H THR 11 H THR 11 -3.605 81.183 9.947
64 HA THR 11 HA THR 11 -4.893 79.569 11.980
65 HB THR 11 HB THR 11 -6.257 80.910 10.449
66 HG1 THR 11 HG1 THR 11 -7.753 79.302 9.905
67 HG21 THR 11 HG21 THR 11 -6.505 80.368 8.062
68 HG22 THR 11 HG22 THR 11 -5.250 79.135 8.189
69 HG23 THR 11 HG23 THR 11 -4.843 80.837 8.422
70 H GLY 12 H GLY 12 -5.650 77.357 11.440
71 HA2 GLY 12 HA2 GLY 12 -4.016 75.685 9.702
72 HA3 GLY 12 HA3 GLY 12 -3.810 75.414 11.434
73 H THR 13 H THR 13 -6.251 75.566 8.866
74 HA THR 13 HA THR 13 -7.930 73.610 10.324
75 HB THR 13 HB THR 13 -8.962 75.943 8.636
76 HG1 THR 13 HG1 THR 13 -8.542 75.572 11.400
77 HG21 THR 13 HG21 THR 13 -11.191 75.294 9.543
78 HG22 THR 13 HG22 THR 13 -10.455 73.902 10.340
79 HG23 THR 13 HG23 THR 13 -10.488 73.993 8.579
80 H THR 14 H THR 14 -7.534 71.798 9.235
81 HA THR 14 HA THR 14 -8.294 71.593 6.408
82 HB THR 14 HB THR 14 -5.696 70.448 7.576
83 HG1 THR 14 HG1 THR 14 -6.320 72.621 5.931
84 HG21 THR 14 HG21 THR 14 -5.252 69.550 5.307
85 HG22 THR 14 HG22 THR 14 -6.840 70.104 4.775
86 HG23 THR 14 HG23 THR 14 -6.712 68.833 5.991
87 H ALA 15 H ALA 15 -9.355 69.608 5.993
88 HA ALA 15 HA ALA 15 -10.590 68.237 8.131
89 HB1 ALA 15 HB1 ALA 15 -10.306 67.356 5.236
90 HB2 ALA 15 HB2 ALA 15 -11.585 68.390 5.871
91 HB3 ALA 15 HB3 ALA 15 -11.462 66.713 6.403
92 H ASN 16 H ASN 16 -9.928 66.592 9.332
93 HA ASN 16 HA ASN 16 -7.313 65.550 9.339
94 HB2 ASN 16 HB2 ASN 16 -8.670 65.731 11.387
95 HB3 ASN 16 HB3 ASN 16 -9.840 64.579 10.753
96 HD21 ASN 16 HD21 ASN 16 -6.537 64.937 11.942
97 HD22 ASN 16 HD22 ASN 16 -6.308 63.277 12.347
98 H THR 17 H THR 17 -6.686 64.515 7.546
99 HA THR 17 HA THR 17 -8.348 62.755 5.997
100 HB THR 17 HB THR 17 -6.253 62.499 4.584
101 HG1 THR 17 HG1 THR 17 -4.657 62.825 6.142
102 HG21 THR 17 HG21 THR 17 -7.060 65.364 5.218
103 HG22 THR 17 HG22 THR 17 -7.893 64.286 4.098
104 HG23 THR 17 HG23 THR 17 -6.249 64.822 3.746
105 H ARG 18 H ARG 18 -8.801 61.130 7.619
106 HA ARG 18 HA ARG 18 -6.806 58.956 7.666
107 HB2 ARG 18 HB2 ARG 18 -8.406 59.915 10.083
108 HB3 ARG 18 HB3 ARG 18 -7.526 58.392 10.037
109 HG2 ARG 18 HG2 ARG 18 -5.401 59.621 9.808
110 HG3 ARG 18 HG3 ARG 18 -6.282 61.153 9.815
111 HD2 ARG 18 HD2 ARG 18 -5.313 60.688 12.028
112 HD3 ARG 18 HD3 ARG 18 -7.076 60.697 12.112
113 HE ARG 18 HE ARG 18 -5.947 58.076 11.708
114 HH11 ARG 18 HH11 ARG 18 -6.811 60.407 14.204
115 HH12 ARG 18 HH12 ARG 18 -6.957 59.200 15.440
116 HH21 ARG 18 HH21 ARG 18 -6.124 56.511 13.358
117 HH22 ARG 18 HH22 ARG 18 -6.566 57.000 14.964
118 H GLY 19 H GLY 19 -7.965 57.903 6.038
119 HA2 GLY 19 HA2 GLY 19 -10.814 57.247 6.440
120 HA3 GLY 19 HA3 GLY 19 -9.904 57.067 4.949
121 H ALA 20 H ALA 20 -11.586 55.112 6.455
122 HA ALA 20 HA ALA 20 -9.792 53.221 7.724
123 HB1 ALA 20 HB1 ALA 20 -11.819 51.908 8.171
124 HB2 ALA 20 HB2 ALA 20 -12.762 52.981 7.132
125 HB3 ALA 20 HB3 ALA 20 -12.055 53.597 8.626
126 H SER 21 H SER 21 -8.402 52.339 6.185
127 HA SER 21 HA SER 21 -9.432 50.945 3.829
128 HB2 SER 21 HB2 SER 21 -7.041 50.349 3.458
129 HB3 SER 21 HB3 SER 21 -7.241 52.085 3.705
130 HG SER 21 HG SER 21 -6.139 50.156 5.423
131 H GLN 22 H GLN 22 -9.117 48.641 3.517
132 HA GLN 22 HA GLN 22 -9.001 47.026 6.013
133 HB2 GLN 22 HB2 GLN 22 -10.830 46.605 3.612
134 HB3 GLN 22 HB3 GLN 22 -10.654 45.473 4.952
135 HG2 GLN 22 HG2 GLN 22 -11.525 47.198 6.512
136 HG3 GLN 22 HG3 GLN 22 -11.713 48.307 5.153
137 HE21 GLN 22 HE21 GLN 22 -13.947 48.481 5.494
138 HE22 GLN 22 HE22 GLN 22 -15.043 47.204 5.120
139 H LYS 23 H LYS 23 -8.999 46.549 2.467
140 HA LYS 23 HA LYS 23 -7.963 45.112 1.090
141 HB2 LYS 23 HB2 LYS 23 -6.037 46.638 1.836
142 HB3 LYS 23 HB3 LYS 23 -5.528 45.342 2.907
143 HG2 LYS 23 HG2 LYS 23 -4.227 45.424 0.795
144 HG3 LYS 23 HG3 LYS 23 -5.066 43.885 1.006
145 HD2 LYS 23 HD2 LYS 23 -6.863 44.690 -0.531
146 HD3 LYS 23 HD3 LYS 23 -5.959 46.186 -0.777
147 HE2 LYS 23 HE2 LYS 23 -4.931 43.415 -1.474
148 HE3 LYS 23 HE3 LYS 23 -5.683 44.524 -2.619
149 HZ1 LYS 23 HZ1 LYS 23 -3.322 44.662 -2.779
150 HZ2 LYS 23 HZ2 LYS 23 -3.164 44.981 -1.128
151 HZ3 LYS 23 HZ3 LYS 23 -3.911 46.111 -2.141
152 H LYS 24 H LYS 24 -6.356 42.860 1.323
153 HA LYS 24 HA LYS 24 -6.209 40.703 1.925
154 HB2 LYS 24 HB2 LYS 24 -5.813 41.697 4.237
155 HB3 LYS 24 HB3 LYS 24 -7.523 41.480 4.563
156 HG2 LYS 24 HG2 LYS 24 -6.266 39.695 5.606
157 HG3 LYS 24 HG3 LYS 24 -7.246 39.031 4.297
158 HD2 LYS 24 HD2 LYS 24 -5.274 38.950 2.836
159 HD3 LYS 24 HD3 LYS 24 -4.283 39.669 4.109
160 HE2 LYS 24 HE2 LYS 24 -4.615 37.704 5.522
161 HE3 LYS 24 HE3 LYS 24 -5.714 36.994 4.333
162 HZ1 LYS 24 HZ1 LYS 24 -2.819 37.552 3.933
163 HZ2 LYS 24 HZ2 LYS 24 -3.859 36.944 2.749
164 HZ3 LYS 24 HZ3 LYS 24 -3.530 36.029 4.128
165 H GLY 25 H GLY 25 -7.689 38.724 2.466
166 HA2 GLY 25 HA2 GLY 25 -9.736 37.596 2.397
167 HA3 GLY 25 HA3 GLY 25 -10.560 39.137 2.206
168 H GLY 26 H GLY 26 -7.907 38.420 0.121
169 HA2 GLY 26 HA2 GLY 26 -9.629 38.514 -2.244
170 HA3 GLY 26 HA3 GLY 26 -7.876 38.641 -2.197
171 H GLU 27 H GLU 27 -9.972 36.127 -0.833
172 HA GLU 27 HA GLU 27 -8.739 34.086 -2.592
173 HB2 GLU 27 HB2 GLU 27 -9.925 33.784 0.200
174 HB3 GLU 27 HB3 GLU 27 -9.363 32.445 -0.796
175 HG2 GLU 27 HG2 GLU 27 -7.072 33.334 -0.730
176 HG3 GLU 27 HG3 GLU 27 -7.631 34.720 0.211
177 HA PRO 28 HA PRO 28 -13.118 34.376 -4.099
178 HB2 PRO 28 HB2 PRO 28 -12.639 33.291 -6.578
179 HB3 PRO 28 HB3 PRO 28 -12.236 34.977 -6.190
180 HG2 PRO 28 HG2 PRO 28 -10.442 32.572 -6.220
181 HG3 PRO 28 HG3 PRO 28 -10.162 34.187 -6.912
182 HD2 PRO 28 HD2 PRO 28 -9.106 33.456 -4.535
183 HD3 PRO 28 HD3 PRO 28 -9.627 35.126 -4.850
184 HA PRO 29 HA PRO 29 -14.601 30.189 -3.280
185 HB2 PRO 29 HB2 PRO 29 -16.727 29.952 -5.025
186 HB3 PRO 29 HB3 PRO 29 -16.783 30.947 -3.556
187 HG2 PRO 29 HG2 PRO 29 -16.255 31.806 -6.386
188 HG3 PRO 29 HG3 PRO 29 -17.319 32.539 -5.163
189 HD2 PRO 29 HD2 PRO 29 -14.881 33.556 -5.647
190 HD3 PRO 29 HD3 PRO 29 -15.551 33.516 -4.000
191 H ALA 30 H ALA 30 -12.546 29.429 -4.141
192 HA ALA 30 HA ALA 30 -12.706 27.496 -6.260
193 HB1 ALA 30 HB1 ALA 30 -11.003 28.506 -7.745
194 HB2 ALA 30 HB2 ALA 30 -10.952 29.942 -6.721
195 HB3 ALA 30 HB3 ALA 30 -12.417 29.554 -7.618
196 H LEU 31 H LEU 31 -11.670 28.430 -3.346
197 HA LEU 31 HA LEU 31 -8.938 27.438 -3.334
198 HB2 LEU 31 HB2 LEU 31 -9.626 29.269 -1.808
199 HB3 LEU 31 HB3 LEU 31 -10.821 28.217 -1.072
200 HG LEU 31 HG LEU 31 -8.985 26.758 -0.203
201 HD11 LEU 31 HD11 LEU 31 -7.109 28.881 -1.281
202 HD12 LEU 31 HD12 LEU 31 -7.245 27.210 -1.837
203 HD13 LEU 31 HD13 LEU 31 -6.663 27.548 -0.211
204 HD21 LEU 31 HD21 LEU 31 -8.813 29.674 0.651
205 HD22 LEU 31 HD22 LEU 31 -8.265 28.290 1.599
206 HD23 LEU 31 HD23 LEU 31 -9.977 28.481 1.234
207 H ILE 32 H ILE 32 -8.817 25.298 -3.773
208 HA ILE 32 HA ILE 32 -10.874 23.413 -3.185
209 HB ILE 32 HB ILE 32 -8.009 22.848 -4.082
210 HG12 ILE 32 HG12 ILE 32 -10.552 23.168 -5.751
211 HG13 ILE 32 HG13 ILE 32 -9.225 24.320 -5.688
212 HG21 ILE 32 HG21 ILE 32 -8.892 20.666 -4.883
213 HG22 ILE 32 HG22 ILE 32 -10.474 21.053 -4.204
214 HG23 ILE 32 HG23 ILE 32 -9.086 20.836 -3.136
215 HD11 ILE 32 HD11 ILE 32 -9.123 21.523 -6.814
216 HD12 ILE 32 HD12 ILE 32 -7.750 22.630 -6.719
217 HD13 ILE 32 HD13 ILE 32 -9.144 23.035 -7.720
218 H VAL 33 H VAL 33 -11.173 23.510 -0.957
219 HA VAL 33 HA VAL 33 -9.283 22.419 0.919
220 HB VAL 33 HB VAL 33 -12.342 22.430 1.054
221 HG11 VAL 33 HG11 VAL 33 -10.328 22.159 3.320
222 HG12 VAL 33 HG12 VAL 33 -11.349 20.874 2.674
223 HG13 VAL 33 HG13 VAL 33 -12.085 22.247 3.499
224 HG21 VAL 33 HG21 VAL 33 -11.500 24.712 0.736
225 HG22 VAL 33 HG22 VAL 33 -10.403 24.529 2.106
226 HG23 VAL 33 HG23 VAL 33 -12.149 24.523 2.364
227 H ASP 34 H ASP 34 -9.339 20.174 1.720
228 HA ASP 34 HA ASP 34 -9.051 18.228 -0.189
229 HB2 ASP 34 HB2 ASP 34 -9.832 17.864 2.728
230 HB3 ASP 34 HB3 ASP 34 -9.286 16.550 1.688
231 HA PRO 35 HA PRO 35 -13.405 18.051 -1.529
232 HB2 PRO 35 HB2 PRO 35 -12.377 15.894 -3.371
233 HB3 PRO 35 HB3 PRO 35 -13.243 17.398 -3.764
234 HG2 PRO 35 HG2 PRO 35 -10.645 17.188 -4.272
235 HG3 PRO 35 HG3 PRO 35 -11.320 18.707 -3.641
236 HD2 PRO 35 HD2 PRO 35 -9.807 16.558 -2.162
237 HD3 PRO 35 HD3 PRO 35 -9.641 18.327 -2.069
238 H LEU 36 H LEU 36 -11.766 14.881 -1.514
239 HA LEU 36 HA LEU 36 -14.130 13.616 -0.287
240 HB2 LEU 36 HB2 LEU 36 -11.673 12.366 -1.600
241 HB3 LEU 36 HB3 LEU 36 -13.045 11.476 -0.955
242 HG LEU 36 HG LEU 36 -13.130 13.389 -3.325
243 HD11 LEU 36 HD11 LEU 36 -13.367 10.360 -3.282
244 HD12 LEU 36 HD12 LEU 36 -11.991 11.289 -3.874
245 HD13 LEU 36 HD13 LEU 36 -13.539 11.393 -4.707
246 HD21 LEU 36 HD21 LEU 36 -15.471 12.636 -3.645
247 HD22 LEU 36 HD22 LEU 36 -15.256 13.482 -2.119
248 HD23 LEU 36 HD23 LEU 36 -15.383 11.721 -2.134
249 H MET 37 H MET 37 -10.573 13.355 -0.033
250 HA MET 37 HA MET 37 -9.215 12.531 1.563
251 HB2 MET 37 HB2 MET 37 -9.374 14.924 2.227
252 HB3 MET 37 HB3 MET 37 -10.706 14.534 3.303
253 HG2 MET 37 HG2 MET 37 -9.164 13.050 4.601
254 HG3 MET 37 HG3 MET 37 -7.843 13.579 3.559
255 HE1 MET 37 HE1 MET 37 -7.932 13.706 6.774
256 HE2 MET 37 HE2 MET 37 -7.193 15.277 7.077
257 HE3 MET 37 HE3 MET 37 -6.514 14.208 5.848
258 H LYS 38 H LYS 38 -10.008 10.424 1.619
259 HA LYS 38 HA LYS 38 -11.448 9.665 4.101
260 HB2 LYS 38 HB2 LYS 38 -12.884 9.461 2.041
261 HB3 LYS 38 HB3 LYS 38 -11.696 8.375 1.340
262 HG2 LYS 38 HG2 LYS 38 -12.129 6.804 3.268
263 HG3 LYS 38 HG3 LYS 38 -13.453 7.864 3.756
264 HD2 LYS 38 HD2 LYS 38 -14.583 7.477 1.604
265 HD3 LYS 38 HD3 LYS 38 -13.238 6.482 1.043
266 HE2 LYS 38 HE2 LYS 38 -15.073 5.843 3.375
267 HE3 LYS 38 HE3 LYS 38 -15.142 5.106 1.774
268 HZ1 LYS 38 HZ1 LYS 38 -13.963 3.740 3.436
269 HZ2 LYS 38 HZ2 LYS 38 -12.800 4.953 3.590
270 HZ3 LYS 38 HZ3 LYS 38 -12.985 4.149 2.120
271 H TYR 39 H TYR 39 -8.546 9.790 2.718
272 HA TYR 39 HA TYR 39 -6.628 8.641 2.504
273 HB2 TYR 39 HB2 TYR 39 -7.783 7.018 4.818
274 HB3 TYR 39 HB3 TYR 39 -6.126 6.872 4.244
275 HD1 TYR 39 HD2 TYR 39 -4.552 8.734 4.489
276 HD2 TYR 39 HD1 TYR 39 -8.461 8.936 6.183
277 HE1 TYR 39 HE2 TYR 39 -3.839 10.610 5.904
278 HE2 TYR 39 HE1 TYR 39 -7.763 10.829 7.585
279 HH TYR 39 HH TYR 39 -4.889 12.530 7.107
280 H ILE 40 H ILE 40 -7.514 8.179 0.447
281 HA ILE 40 HA ILE 40 -8.772 5.575 -0.070
282 HB ILE 40 HB ILE 40 -8.289 7.967 -1.919
283 HG12 ILE 40 HG12 ILE 40 -10.864 7.301 -0.396
284 HG13 ILE 40 HG13 ILE 40 -9.738 8.581 0.042
285 HG21 ILE 40 HG21 ILE 40 -10.045 7.000 -3.351
286 HG22 ILE 40 HG22 ILE 40 -10.202 5.629 -2.250
287 HG23 ILE 40 HG23 ILE 40 -8.702 5.874 -3.141
288 HD11 ILE 40 HD11 ILE 40 -10.203 9.701 -2.109
289 HD12 ILE 40 HD12 ILE 40 -11.646 9.498 -1.117
290 HD13 ILE 40 HD13 ILE 40 -11.370 8.433 -2.494
291 H CYS 41 H CYS 41 -8.000 4.187 -1.771
292 HA CYS 41 HA CYS 41 -5.203 3.855 -2.012
293 HB2 CYS 41 HB2 CYS 41 -6.863 2.018 -2.200
294 HB3 CYS 41 HB3 CYS 41 -7.439 2.699 -3.726
295 H HIS 42 H HIS 42 -4.006 5.226 -3.044
296 HA HIS 42 HA HIS 42 -4.958 7.275 -4.799
297 HB2 HIS 42 HB2 HIS 42 -3.192 7.628 -3.042
298 HB3 HIS 42 HB3 HIS 42 -2.092 6.616 -3.958
299 HD1 HIS 42 HD1 HIS 42 -0.368 8.227 -4.653
300 HD2 HIS 42 HD2 HIS 42 -4.191 9.679 -5.367
301 HE1 HIS 42 HE1 HIS 42 -0.043 10.353 -5.932
302 HE2 HIS 42 HE2 HIS 42 -2.361 11.276 -6.275
303 H ILE 43 H ILE 43 -4.315 4.129 -5.548
304 HA ILE 43 HA ILE 43 -3.549 4.760 -8.333
305 HB ILE 43 HB ILE 43 -3.095 2.115 -6.860
306 HG12 ILE 43 HG12 ILE 43 -1.082 4.224 -7.808
307 HG13 ILE 43 HG13 ILE 43 -1.514 3.895 -6.135
308 HG21 ILE 43 HG21 ILE 43 -3.597 1.771 -9.253
309 HG22 ILE 43 HG22 ILE 43 -1.911 1.390 -8.916
310 HG23 ILE 43 HG23 ILE 43 -2.331 2.914 -9.704
311 HD11 ILE 43 HD11 ILE 43 0.621 2.933 -6.693
312 HD12 ILE 43 HD12 ILE 43 -0.104 2.005 -8.004
313 HD13 ILE 43 HD13 ILE 43 -0.546 1.662 -6.327
314 H CYS 44 H CYS 44 -5.878 3.160 -6.197
315 HA CYS 44 HA CYS 44 -7.328 1.870 -8.380
316 HB2 CYS 44 HB2 CYS 44 -7.962 2.072 -5.407
317 HB3 CYS 44 HB3 CYS 44 -8.982 1.222 -6.582
318 H ASN 45 H ASN 45 -7.355 4.913 -6.749
319 HA ASN 45 HA ASN 45 -8.512 6.833 -7.011
320 HB2 ASN 45 HB2 ASN 45 -8.847 6.405 -9.393
321 HB3 ASN 45 HB3 ASN 45 -10.189 5.327 -9.059
322 HD21 ASN 45 HD21 ASN 45 -9.140 8.644 -9.127
323 HD22 ASN 45 HD22 ASN 45 -10.719 9.344 -9.127
324 H ARG 46 H ARG 46 -10.566 3.948 -6.675
325 HA ARG 46 HA ARG 46 -12.221 5.288 -4.643
326 HB2 ARG 46 HB2 ARG 46 -12.598 2.659 -6.121
327 HB3 ARG 46 HB3 ARG 46 -13.687 3.280 -4.884
328 HG2 ARG 46 HG2 ARG 46 -14.174 5.244 -6.305
329 HG3 ARG 46 HG3 ARG 46 -13.116 4.593 -7.561
330 HD2 ARG 46 HD2 ARG 46 -14.587 2.625 -7.780
331 HD3 ARG 46 HD3 ARG 46 -15.614 3.245 -6.484
332 HE ARG 46 HE ARG 46 -15.789 5.274 -8.144
333 HH11 ARG 46 HH11 ARG 46 -15.881 1.860 -8.968
334 HH12 ARG 46 HH12 ARG 46 -16.888 2.105 -10.358
335 HH21 ARG 46 HH21 ARG 46 -17.128 5.578 -9.940
336 HH22 ARG 46 HH22 ARG 46 -17.601 4.226 -10.914
337 H GLY 47 H GLY 47 -12.771 3.976 -2.744
338 HA2 GLY 47 HA2 GLY 47 -10.538 3.060 -1.278
339 HA3 GLY 47 HA3 GLY 47 -12.223 2.868 -0.814
340 H ASP 48 H ASP 48 -13.189 1.275 -2.847
341 HA ASP 48 HA ASP 48 -13.417 -0.761 -3.717
342 HB2 ASP 48 HB2 ASP 48 -11.343 -0.095 -4.947
343 HB3 ASP 48 HB3 ASP 48 -10.370 -0.848 -3.694
344 H VAL 49 H VAL 49 -10.485 -1.850 -2.026
345 HA VAL 49 HA VAL 49 -12.158 -3.378 -0.101
346 HB VAL 49 HB VAL 49 -9.413 -4.148 -1.219
347 HG11 VAL 49 HG11 VAL 49 -11.127 -5.619 0.827
348 HG12 VAL 49 HG12 VAL 49 -9.574 -4.836 1.122
349 HG13 VAL 49 HG13 VAL 49 -9.656 -6.254 0.079
350 HG21 VAL 49 HG21 VAL 49 -11.232 -4.508 -2.832
351 HG22 VAL 49 HG22 VAL 49 -12.138 -5.446 -1.644
352 HG23 VAL 49 HG23 VAL 49 -10.599 -6.052 -2.263
353 H GLU 50 H GLU 50 -12.192 -2.049 1.612
354 HA GLU 50 HA GLU 50 -10.043 -0.422 2.536
355 HB2 GLU 50 HB2 GLU 50 -11.468 -0.049 4.534
356 HB3 GLU 50 HB3 GLU 50 -12.361 0.158 3.034
357 HG2 GLU 50 HG2 GLU 50 -13.380 -2.073 3.309
358 HG3 GLU 50 HG3 GLU 50 -12.455 -2.330 4.782
359 H GLU 51 H GLU 51 -10.916 -3.719 3.115
360 HA GLU 51 HA GLU 51 -9.611 -4.263 5.548
361 HB2 GLU 51 HB2 GLU 51 -10.129 -6.146 3.215
362 HB3 GLU 51 HB3 GLU 51 -9.808 -6.630 4.879
363 HG2 GLU 51 HG2 GLU 51 -11.915 -5.750 5.630
364 HG3 GLU 51 HG3 GLU 51 -12.201 -4.956 4.083
365 H SER 52 H SER 52 -8.365 -4.073 2.278
366 HA SER 52 HA SER 52 -5.658 -4.896 3.184
367 HB2 SER 52 HB2 SER 52 -6.795 -4.824 0.357
368 HB3 SER 52 HB3 SER 52 -5.193 -5.408 0.816
369 HG SER 52 HG SER 52 -6.761 -6.772 2.334
370 H MET 53 H MET 53 -7.243 -2.188 3.121
371 HA MET 53 HA MET 53 -5.567 -0.486 1.484
372 HB2 MET 53 HB2 MET 53 -7.952 0.040 1.817
373 HB3 MET 53 HB3 MET 53 -7.698 0.195 3.548
374 HG2 MET 53 HG2 MET 53 -6.224 2.133 3.160
375 HG3 MET 53 HG3 MET 53 -6.494 1.989 1.421
376 HE1 MET 53 HE1 MET 53 -8.921 2.264 0.294
377 HE2 MET 53 HE2 MET 53 -10.369 2.688 1.206
378 HE3 MET 53 HE3 MET 53 -9.616 1.111 1.433
379 H LEU 54 H LEU 54 -3.580 -0.266 2.123
380 HA LEU 54 HA LEU 54 -2.655 -0.148 4.878
381 HB2 LEU 54 HB2 LEU 54 -1.121 0.246 2.274
382 HB3 LEU 54 HB3 LEU 54 -0.425 -0.049 3.862
383 HG LEU 54 HG LEU 54 -2.108 -2.039 2.305
384 HD11 LEU 54 HD11 LEU 54 0.016 -3.256 1.945
385 HD12 LEU 54 HD12 LEU 54 0.902 -1.910 2.664
386 HD13 LEU 54 HD13 LEU 54 0.001 -1.678 1.164
387 HD21 LEU 54 HD21 LEU 54 -0.563 -2.386 4.897
388 HD22 LEU 54 HD22 LEU 54 -1.357 -3.680 3.995
389 HD23 LEU 54 HD23 LEU 54 -2.321 -2.393 4.710
390 H LEU 55 H LEU 55 -1.899 1.705 5.872
391 HA LEU 55 HA LEU 55 -2.262 4.309 4.478
392 HB2 LEU 55 HB2 LEU 55 -3.942 3.844 6.292
393 HB3 LEU 55 HB3 LEU 55 -2.644 3.712 7.453
394 HG LEU 55 HG LEU 55 -4.076 5.931 7.348
395 HD11 LEU 55 HD11 LEU 55 -2.169 7.334 8.060
396 HD12 LEU 55 HD12 LEU 55 -1.048 6.110 7.456
397 HD13 LEU 55 HD13 LEU 55 -2.116 5.732 8.805
398 HD21 LEU 55 HD21 LEU 55 -3.202 7.664 5.836
399 HD22 LEU 55 HD22 LEU 55 -3.873 6.306 4.937
400 HD23 LEU 55 HD23 LEU 55 -2.124 6.478 5.093
401 H CYS 56 H CYS 56 -0.389 5.378 4.120
402 HA CYS 56 HA CYS 56 2.108 4.597 5.323
403 HB2 CYS 56 HB2 CYS 56 2.012 5.521 3.036
404 HB3 CYS 56 HB3 CYS 56 1.341 7.036 3.650
405 H ASP 57 H ASP 57 2.520 5.108 7.414
406 HA ASP 57 HA ASP 57 1.344 7.008 9.073
407 HB2 ASP 57 HB2 ASP 57 4.160 5.846 9.186
408 HB3 ASP 57 HB3 ASP 57 3.451 6.779 10.489
409 H GLY 58 H GLY 58 4.215 7.345 7.021
410 HA2 GLY 58 HA2 GLY 58 4.495 10.204 7.684
411 HA3 GLY 58 HA3 GLY 58 5.682 9.201 6.867
412 H CYS 59 H CYS 59 2.221 9.544 6.065
413 HA CYS 59 HA CYS 59 2.650 11.532 4.051
414 HB2 CYS 59 HB2 CYS 59 1.974 8.693 3.176
415 HB3 CYS 59 HB3 CYS 59 1.756 10.110 2.119
416 H ASP 60 H ASP 60 0.489 11.591 2.616
417 HA ASP 60 HA ASP 60 -1.901 11.435 4.335
418 HB2 ASP 60 HB2 ASP 60 -1.498 13.615 3.337
419 HB3 ASP 60 HB3 ASP 60 -1.194 12.912 1.760
420 H ASP 61 H ASP 61 -0.269 10.008 1.719
421 HA ASP 61 HA ASP 61 -2.386 8.990 0.134
422 HB2 ASP 61 HB2 ASP 61 0.541 8.137 0.310
423 HB3 ASP 61 HB3 ASP 61 -0.585 7.613 -0.939
424 H SER 62 H SER 62 -3.198 6.974 -0.003
425 HA SER 62 HA SER 62 -2.320 4.820 1.824
426 HB2 SER 62 HB2 SER 62 -5.222 5.447 1.060
427 HB3 SER 62 HB3 SER 62 -4.684 4.116 2.089
428 HG SER 62 HG SER 62 -3.682 6.394 3.031
429 H TYR 63 H TYR 63 -2.345 2.773 0.840
430 HA TYR 63 HA TYR 63 -3.123 2.507 -2.002
431 HB2 TYR 63 HB2 TYR 63 -0.406 1.731 -0.821
432 HB3 TYR 63 HB3 TYR 63 -0.943 1.289 -2.441
433 HD1 TYR 63 HD2 TYR 63 -1.293 3.124 -4.147
434 HD2 TYR 63 HD1 TYR 63 0.580 3.914 -0.393
435 HE1 TYR 63 HE2 TYR 63 -0.405 5.231 -5.034
436 HE2 TYR 63 HE1 TYR 63 1.475 6.027 -1.294
437 HH TYR 63 HH TYR 63 1.993 7.041 -3.453
438 H HIS 64 H HIS 64 -3.495 0.254 -2.573
439 HA HIS 64 HA HIS 64 -3.975 -1.573 -0.332
440 HB2 HIS 64 HB2 HIS 64 -4.329 -2.069 -3.325
441 HB3 HIS 64 HB3 HIS 64 -4.804 -3.156 -2.037
442 HD2 HIS 64 HD2 HIS 64 -6.656 -1.818 -0.185
443 HE1 HIS 64 HE1 HIS 64 -8.660 -0.208 -3.551
444 HE2 HIS 64 HE2 HIS 64 -8.816 -0.727 -1.075
445 H THR 65 H THR 65 -3.069 -3.762 -0.457
446 HA THR 65 HA THR 65 -0.286 -3.977 -0.888
447 HB THR 65 HB THR 65 -0.892 -6.518 -0.800
448 HG1 THR 65 HG1 THR 65 -2.977 -7.023 -0.662
449 HG21 THR 65 HG21 THR 65 -0.144 -5.249 1.185
450 HG22 THR 65 HG22 THR 65 -1.382 -6.436 1.603
451 HG23 THR 65 HG23 THR 65 -1.806 -4.728 1.475
452 H PHE 66 H PHE 66 -3.109 -4.855 -2.853
453 HA PHE 66 HA PHE 66 -1.494 -5.778 -5.103
454 HB2 PHE 66 HB2 PHE 66 -3.797 -6.353 -6.059
455 HB3 PHE 66 HB3 PHE 66 -3.311 -7.227 -4.613
456 HD1 PHE 66 HD2 PHE 66 -5.534 -4.471 -5.854
457 HD2 PHE 66 HD1 PHE 66 -4.619 -7.063 -2.572
458 HE1 PHE 66 HE2 PHE 66 -7.611 -3.789 -4.719
459 HE2 PHE 66 HE1 PHE 66 -6.697 -6.368 -1.451
460 HZ PHE 66 HZ PHE 66 -8.192 -4.730 -2.520
461 H CYS 67 H CYS 67 -1.189 -3.026 -4.612
462 HA CYS 67 HA CYS 67 -2.370 -1.837 -7.059
463 HB2 CYS 67 HB2 CYS 67 -1.921 -0.501 -4.364
464 HB3 CYS 67 HB3 CYS 67 -2.266 0.388 -5.845
465 H LEU 68 H LEU 68 0.229 -1.502 -4.667
466 HA LEU 68 HA LEU 68 2.070 -0.059 -6.218
467 HB2 LEU 68 HB2 LEU 68 2.551 -2.014 -3.941
468 HB3 LEU 68 HB3 LEU 68 3.756 -0.897 -4.565
469 HG LEU 68 HG LEU 68 1.153 -0.097 -3.197
470 HD11 LEU 68 HD11 LEU 68 4.014 0.022 -2.192
471 HD12 LEU 68 HD12 LEU 68 2.760 -1.095 -1.645
472 HD13 LEU 68 HD13 LEU 68 2.591 0.631 -1.343
473 HD21 LEU 68 HD21 LEU 68 1.802 1.573 -4.875
474 HD22 LEU 68 HD22 LEU 68 3.426 1.668 -4.189
475 HD23 LEU 68 HD23 LEU 68 2.034 2.206 -3.246
476 H LEU 69 H LEU 69 3.973 -0.732 -7.331
477 HA LEU 69 HA LEU 69 4.006 -3.527 -8.309
478 HB2 LEU 69 HB2 LEU 69 5.043 -0.976 -9.619
479 HB3 LEU 69 HB3 LEU 69 5.385 -2.588 -10.220
480 HG LEU 69 HG LEU 69 2.859 -2.898 -10.515
481 HD11 LEU 69 HD11 LEU 69 1.438 -0.911 -10.709
482 HD12 LEU 69 HD12 LEU 69 2.754 0.107 -10.120
483 HD13 LEU 69 HD13 LEU 69 2.040 -1.112 -9.066
484 HD21 LEU 69 HD21 LEU 69 4.357 -2.493 -12.418
485 HD22 LEU 69 HD22 LEU 69 4.191 -0.750 -12.207
486 HD23 LEU 69 HD23 LEU 69 2.793 -1.722 -12.672
487 HA PRO 70 HA PRO 70 5.062 -5.322 -8.278
488 HB2 PRO 70 HB2 PRO 70 6.117 -7.258 -6.708
489 HB3 PRO 70 HB3 PRO 70 7.054 -6.541 -8.036
490 HG2 PRO 70 HG2 PRO 70 7.183 -5.943 -5.105
491 HG3 PRO 70 HG3 PRO 70 8.511 -6.183 -6.263
492 HD2 PRO 70 HD2 PRO 70 7.594 -3.695 -5.481
493 HD3 PRO 70 HD3 PRO 70 8.408 -4.006 -7.029
494 HA PRO 71 HA PRO 71 1.722 -5.147 -5.347
495 HB2 PRO 71 HB2 PRO 71 0.251 -7.353 -6.102
496 HB3 PRO 71 HB3 PRO 71 0.313 -5.858 -7.055
497 HG2 PRO 71 HG2 PRO 71 1.802 -8.422 -7.464
498 HG3 PRO 71 HG3 PRO 71 1.029 -7.358 -8.661
499 HD2 PRO 71 HD2 PRO 71 3.716 -7.329 -8.215
500 HD3 PRO 71 HD3 PRO 71 2.809 -5.886 -8.713
501 H LEU 72 H LEU 72 1.834 -5.591 -3.248
502 HA LEU 72 HA LEU 72 3.307 -7.719 -2.085
503 HB2 LEU 72 HB2 LEU 72 1.196 -5.978 -0.760
504 HB3 LEU 72 HB3 LEU 72 2.486 -6.851 0.052
505 HG LEU 72 HG LEU 72 2.856 -4.471 -1.815
506 HD11 LEU 72 HD11 LEU 72 1.811 -3.793 0.299
507 HD12 LEU 72 HD12 LEU 72 3.461 -3.182 0.194
508 HD13 LEU 72 HD13 LEU 72 3.102 -4.580 1.214
509 HD21 LEU 72 HD21 LEU 72 5.216 -4.488 -1.095
510 HD22 LEU 72 HD22 LEU 72 4.778 -5.967 -1.944
511 HD23 LEU 72 HD23 LEU 72 4.931 -5.972 -0.184
512 H THR 73 H THR 73 2.649 -9.759 -2.317
513 HA THR 73 HA THR 73 -0.135 -10.583 -2.421
514 HB THR 73 HB THR 73 0.949 -12.886 -2.725
515 HG1 THR 73 HG1 THR 73 3.002 -12.951 -2.174
516 HG21 THR 73 HG21 THR 73 1.812 -10.711 -4.677
517 HG22 THR 73 HG22 THR 73 0.263 -11.555 -4.694
518 HG23 THR 73 HG23 THR 73 1.750 -12.440 -5.023
519 H SER 74 H SER 74 1.789 -9.743 0.083
520 HA SER 74 HA SER 74 0.142 -11.275 1.972
521 HB2 SER 74 HB2 SER 74 3.150 -10.829 2.235
522 HB3 SER 74 HB3 SER 74 2.118 -11.536 3.478
523 HG SER 74 HG SER 74 1.612 -12.984 1.410
524 H ILE 75 H ILE 75 -0.561 -10.065 3.701
525 HA ILE 75 HA ILE 75 -0.520 -7.199 3.487
526 HB ILE 75 HB ILE 75 -1.604 -8.917 5.778
527 HG12 ILE 75 HG12 ILE 75 -2.626 -9.565 3.580
528 HG13 ILE 75 HG13 ILE 75 -3.799 -8.875 4.690
529 HG21 ILE 75 HG21 ILE 75 -2.267 -6.059 4.986
530 HG22 ILE 75 HG22 ILE 75 -1.365 -6.570 6.414
531 HG23 ILE 75 HG23 ILE 75 -3.074 -6.977 6.261
532 HD11 ILE 75 HD11 ILE 75 -2.542 -7.479 2.325
533 HD12 ILE 75 HD12 ILE 75 -3.692 -6.745 3.443
534 HD13 ILE 75 HD13 ILE 75 -4.189 -8.098 2.426
535 HA PRO 76 HA PRO 76 3.211 -6.779 6.171
536 HB2 PRO 76 HB2 PRO 76 3.274 -4.005 6.134
537 HB3 PRO 76 HB3 PRO 76 3.960 -5.018 4.849
538 HG2 PRO 76 HG2 PRO 76 1.319 -3.614 4.937
539 HG3 PRO 76 HG3 PRO 76 2.476 -3.762 3.596
540 HD2 PRO 76 HD2 PRO 76 0.254 -5.300 3.722
541 HD3 PRO 76 HD3 PRO 76 1.778 -5.909 3.044
542 H LYS 77 H LYS 77 2.747 -7.303 8.191
543 HA LYS 77 HA LYS 77 0.494 -6.085 9.631
544 HB2 LYS 77 HB2 LYS 77 2.169 -8.542 10.285
545 HB3 LYS 77 HB3 LYS 77 0.763 -7.988 11.196
546 HG2 LYS 77 HG2 LYS 77 -0.653 -8.312 9.191
547 HG3 LYS 77 HG3 LYS 77 0.752 -8.906 8.306
548 HD2 LYS 77 HD2 LYS 77 0.935 -10.800 9.905
549 HD3 LYS 77 HD3 LYS 77 -0.496 -10.198 10.757
550 HE2 LYS 77 HE2 LYS 77 -1.830 -10.470 8.691
551 HE3 LYS 77 HE3 LYS 77 -0.407 -11.105 7.859
552 HZ1 LYS 77 HZ1 LYS 77 -1.776 -12.327 10.196
553 HZ2 LYS 77 HZ2 LYS 77 -0.371 -12.937 9.473
554 HZ3 LYS 77 HZ3 LYS 77 -1.819 -12.884 8.599
555 H GLY 78 H GLY 78 0.946 -4.353 10.752
556 HA2 GLY 78 HA2 GLY 78 2.268 -3.651 12.852
557 HA3 GLY 78 HA3 GLY 78 3.662 -3.829 11.787
558 H GLU 79 H GLU 79 4.289 -1.710 11.593
559 HA GLU 79 HA GLU 79 2.339 0.249 10.533
560 HB2 GLU 79 HB2 GLU 79 5.160 0.658 11.612
561 HB3 GLU 79 HB3 GLU 79 4.157 1.933 10.930
562 HG2 GLU 79 HG2 GLU 79 4.062 2.117 13.304
563 HG3 GLU 79 HG3 GLU 79 2.494 1.549 12.749
564 H TRP 80 H TRP 80 2.355 0.709 8.426
565 HA TRP 80 HA TRP 80 4.560 -0.289 6.724
566 HB2 TRP 80 HB2 TRP 80 2.450 -1.381 6.194
567 HB3 TRP 80 HB3 TRP 80 1.600 0.159 6.145
568 HD1 TRP 80 HD1 TRP 80 4.056 -1.956 4.036
569 HE1 TRP 80 HE1 TRP 80 3.977 -1.090 1.616
570 HE3 TRP 80 HE3 TRP 80 1.120 2.157 4.747
571 HZ2 TRP 80 HZ2 TRP 80 2.821 1.058 0.202
572 HZ3 TRP 80 HZ3 TRP 80 0.573 3.578 2.800
573 HH2 TRP 80 HH2 TRP 80 1.411 3.031 0.574
574 H LEU 81 H LEU 81 5.673 1.148 5.576
575 HA LEU 81 HA LEU 81 4.776 3.969 5.378
576 HB2 LEU 81 HB2 LEU 81 7.580 2.781 5.339
577 HB3 LEU 81 HB3 LEU 81 7.221 4.473 5.039
578 HG LEU 81 HG LEU 81 6.728 3.007 7.663
579 HD11 LEU 81 HD11 LEU 81 8.840 5.093 6.999
580 HD12 LEU 81 HD12 LEU 81 9.131 3.369 7.242
581 HD13 LEU 81 HD13 LEU 81 8.562 4.361 8.583
582 HD21 LEU 81 HD21 LEU 81 5.053 4.771 7.307
583 HD22 LEU 81 HD22 LEU 81 6.330 5.949 6.999
584 HD23 LEU 81 HD23 LEU 81 6.166 5.221 8.598
585 H CYS 82 H CYS 82 4.748 4.921 3.399
586 HA CYS 82 HA CYS 82 4.562 3.418 1.022
587 HB2 CYS 82 HB2 CYS 82 4.430 5.631 -0.109
588 HB3 CYS 82 HB3 CYS 82 3.404 5.577 1.315
589 HA PRO 83 HA PRO 83 8.787 3.087 -0.618
590 HB2 PRO 83 HB2 PRO 83 7.537 4.281 -3.108
591 HB3 PRO 83 HB3 PRO 83 8.609 2.869 -2.955
592 HG2 PRO 83 HG2 PRO 83 6.034 2.492 -3.313
593 HG3 PRO 83 HG3 PRO 83 6.899 1.497 -2.115
594 HD2 PRO 83 HD2 PRO 83 5.066 3.836 -1.662
595 HD3 PRO 83 HD3 PRO 83 5.230 2.334 -0.726
596 H ARG 84 H ARG 84 6.986 6.122 -0.904
597 HA ARG 84 HA ARG 84 9.168 7.854 -1.538
598 HB2 ARG 84 HB2 ARG 84 6.780 8.469 -1.902
599 HB3 ARG 84 HB3 ARG 84 6.515 8.491 -0.160
600 HG2 ARG 84 HG2 ARG 84 8.105 10.363 0.057
601 HG3 ARG 84 HG3 ARG 84 8.374 10.339 -1.688
602 HD2 ARG 84 HD2 ARG 84 6.022 10.932 -2.073
603 HD3 ARG 84 HD3 ARG 84 5.713 10.899 -0.333
604 HE ARG 84 HE ARG 84 7.819 12.716 -1.066
605 HH11 ARG 84 HH11 ARG 84 4.310 12.458 -0.780
606 HH12 ARG 84 HH12 ARG 84 4.079 14.168 -0.621
607 HH21 ARG 84 HH21 ARG 84 7.491 14.951 -0.876
608 HH22 ARG 84 HH22 ARG 84 5.887 15.585 -0.673
609 H CYS 85 H CYS 85 7.691 6.786 1.529
610 HA CYS 85 HA CYS 85 9.280 8.414 3.272
611 HB2 CYS 85 HB2 CYS 85 7.751 5.862 3.883
612 HB3 CYS 85 HB3 CYS 85 8.436 6.943 5.087
613 H VAL 86 H VAL 86 9.725 5.288 1.830
614 HA VAL 86 HA VAL 86 11.956 4.336 3.260
615 HB VAL 86 HB VAL 86 11.260 3.863 0.315
616 HG11 VAL 86 HG11 VAL 86 13.187 2.258 2.061
617 HG12 VAL 86 HG12 VAL 86 13.630 3.286 0.701
618 HG13 VAL 86 HG13 VAL 86 12.684 1.826 0.425
619 HG21 VAL 86 HG21 VAL 86 9.471 3.178 1.850
620 HG22 VAL 86 HG22 VAL 86 10.609 2.186 2.767
621 HG23 VAL 86 HG23 VAL 86 10.219 1.770 1.095
622 H VAL 87 H VAL 87 11.723 6.556 0.488
623 HA VAL 87 HA VAL 87 14.509 6.931 0.017
624 HB VAL 87 HB VAL 87 12.214 8.866 -0.574
625 HG11 VAL 87 HG11 VAL 87 13.671 9.822 -2.328
626 HG12 VAL 87 HG12 VAL 87 14.987 8.759 -1.818
627 HG13 VAL 87 HG13 VAL 87 14.379 9.996 -0.719
628 HG21 VAL 87 HG21 VAL 87 13.365 6.681 -2.355
629 HG22 VAL 87 HG22 VAL 87 12.137 7.858 -2.830
630 HG23 VAL 87 HG23 VAL 87 11.779 6.674 -1.575
631 H GLU 88 H GLU 88 12.178 8.503 2.141
632 HA GLU 88 HA GLU 88 13.793 10.689 2.995
633 HB2 GLU 88 HB2 GLU 88 11.147 10.205 3.091
634 HB3 GLU 88 HB3 GLU 88 11.535 9.592 4.687
635 HG2 GLU 88 HG2 GLU 88 12.067 12.403 3.682
636 HG3 GLU 88 HG3 GLU 88 10.742 11.909 4.719
637 H GLU 89 H GLU 89 13.519 7.366 3.904
638 HA GLU 89 HA GLU 89 14.309 5.986 5.517
639 HB2 GLU 89 HB2 GLU 89 16.130 8.294 6.365
640 HB3 GLU 89 HB3 GLU 89 16.272 6.632 6.917
641 HG2 GLU 89 HG2 GLU 89 16.663 7.585 4.073
642 HG3 GLU 89 HG3 GLU 89 17.954 7.217 5.210
643 H VAL 90 H VAL 90 14.785 6.204 8.193
644 HA VAL 90 HA VAL 90 12.438 7.591 9.310
645 HB VAL 90 HB VAL 90 14.277 5.511 10.607
646 HG11 VAL 90 HG11 VAL 90 13.289 7.027 12.266
647 HG12 VAL 90 HG12 VAL 90 12.583 5.418 12.411
648 HG13 VAL 90 HG13 VAL 90 11.673 6.711 11.626
649 HG21 VAL 90 HG21 VAL 90 11.465 5.164 9.480
650 HG22 VAL 90 HG22 VAL 90 12.382 3.930 10.347
651 HG23 VAL 90 HG23 VAL 90 12.952 4.515 8.785
652 H SER 91 H SER 91 13.394 9.699 9.103
653 HA SER 91 HA SER 91 15.814 10.415 10.509
654 HB2 SER 91 HB2 SER 91 13.622 12.183 9.330
655 HB3 SER 91 HB3 SER 91 15.207 12.738 9.873
656 HG SER 91 HG SER 91 14.489 11.583 7.510
657 H LYS 92 H LYS 92 15.267 9.462 12.517
658 HA LYS 92 HA LYS 92 13.943 11.086 14.475
659 HB2 LYS 92 HB2 LYS 92 11.955 10.025 13.389
660 HB3 LYS 92 HB3 LYS 92 12.651 8.433 13.661
661 HG2 LYS 92 HG2 LYS 92 12.542 8.912 16.145
662 HG3 LYS 92 HG3 LYS 92 11.628 10.371 15.759
663 HD2 LYS 92 HD2 LYS 92 10.812 7.500 15.155
664 HD3 LYS 92 HD3 LYS 92 10.105 8.555 16.379
665 HE2 LYS 92 HE2 LYS 92 9.964 8.940 13.376
666 HE3 LYS 92 HE3 LYS 92 8.651 8.412 14.421
667 HZ1 LYS 92 HZ1 LYS 92 9.963 11.077 14.447
668 HZ2 LYS 92 HZ2 LYS 92 8.781 10.580 15.542
669 HZ3 LYS 92 HZ3 LYS 92 8.402 10.723 13.906
670 HA PRO 93 HA PRO 93 16.779 8.356 16.865
671 HB2 PRO 93 HB2 PRO 93 15.625 9.593 19.314
672 HB3 PRO 93 HB3 PRO 93 17.287 9.673 18.698
673 HG2 PRO 93 HG2 PRO 93 15.655 11.831 18.665
674 HG3 PRO 93 HG3 PRO 93 16.884 11.549 17.409
675 HD2 PRO 93 HD2 PRO 93 13.920 11.003 17.307
676 HD3 PRO 93 HD3 PRO 93 14.972 11.751 16.081
677 H GLN 94 H GLN 94 15.289 6.690 16.004
678 HA GLN 94 HA GLN 94 13.220 5.737 17.873
679 HB2 GLN 94 HB2 GLN 94 12.521 6.077 15.526
680 HB3 GLN 94 HB3 GLN 94 13.776 4.977 14.970
681 HG2 GLN 94 HG2 GLN 94 12.680 3.105 16.096
682 HG3 GLN 94 HG3 GLN 94 11.457 4.182 16.764
683 HE21 GLN 94 HE21 GLN 94 11.130 5.720 14.313
684 HE22 GLN 94 HE22 GLN 94 10.285 4.709 13.203
Start of MODEL 9
1 H1 SER 1 H1 SER 1-106.884 3.337 2.059
2 H2 SER 1 H2 SER 1-105.874 2.519 3.135
3 H3 SER 1 H3 SER 1-105.278 3.817 2.239
4 HA SER 1 HA SER 1-106.674 5.347 3.357
5 HB2 SER 1 HB2 SER 1-108.590 3.820 3.748
6 HB3 SER 1 HB3 SER 1-107.643 2.924 4.934
7 HG SER 1 HG SER 1-108.839 5.448 5.132
8 H HIS 2 H HIS 2-105.309 6.476 4.583
9 HA HIS 2 HA HIS 2-103.633 5.146 6.635
10 HB2 HIS 2 HB2 HIS 2-102.970 7.643 5.000
11 HB3 HIS 2 HB3 HIS 2-101.973 6.975 6.291
12 HD2 HIS 2 HD2 HIS 2-102.683 6.463 2.536
13 HE1 HIS 2 HE1 HIS 2 -99.838 3.589 3.758
14 HE2 HIS 2 HE2 HIS 2-100.872 4.776 1.776
15 H MET 3 H MET 3-104.489 5.586 8.561
16 HA MET 3 HA MET 3-106.223 7.782 9.157
17 HB2 MET 3 HB2 MET 3-106.100 6.984 11.503
18 HB3 MET 3 HB3 MET 3-106.421 5.664 10.389
19 HG2 MET 3 HG2 MET 3-104.182 4.829 10.602
20 HG3 MET 3 HG3 MET 3-103.660 6.269 11.478
21 HE1 MET 3 HE1 MET 3-104.211 6.782 13.981
22 HE2 MET 3 HE2 MET 3-105.349 5.850 14.952
23 HE3 MET 3 HE3 MET 3-105.935 6.810 13.596
24 H SER 4 H SER 4-105.764 9.305 11.019
25 HA SER 4 HA SER 4-103.396 10.849 10.621
26 HB2 SER 4 HB2 SER 4-105.593 11.817 11.367
27 HB3 SER 4 HB3 SER 4-105.410 11.003 12.924
28 HG SER 4 HG SER 4-104.347 12.724 13.474
29 H GLY 5 H GLY 5-101.444 10.103 11.262
30 HA2 GLY 5 HA2 GLY 5 -99.832 9.570 12.961
31 HA3 GLY 5 HA3 GLY 5-101.078 8.736 13.883
32 H GLY 6 H GLY 6-101.948 7.644 11.089
33 HA2 GLY 6 HA2 GLY 6-100.668 5.096 11.256
34 HA3 GLY 6 HA3 GLY 6-101.792 5.633 10.021
35 H SER 7 H SER 7 -98.756 4.580 10.500
36 HA SER 7 HA SER 7 -97.763 5.249 7.900
37 HB2 SER 7 HB2 SER 7 -97.216 7.380 9.058
38 HB3 SER 7 HB3 SER 7 -96.373 6.500 10.330
39 HG SER 7 HG SER 7 -94.957 5.725 8.593
40 HA PRO 8 HA PRO 8 -95.361 1.479 8.972
41 HB2 PRO 8 HB2 PRO 8 -93.213 1.786 7.229
42 HB3 PRO 8 HB3 PRO 8 -94.794 1.146 6.729
43 HG2 PRO 8 HG2 PRO 8 -93.724 3.943 6.441
44 HG3 PRO 8 HG3 PRO 8 -94.617 2.959 5.258
45 HD2 PRO 8 HD2 PRO 8 -95.861 4.883 6.683
46 HD3 PRO 8 HD3 PRO 8 -96.692 3.361 6.281
47 H LEU 9 H LEU 9 -94.090 1.309 10.730
48 HA LEU 9 HA LEU 9 -92.977 3.629 11.979
49 HB2 LEU 9 HB2 LEU 9 -93.007 0.694 12.803
50 HB3 LEU 9 HB3 LEU 9 -92.281 1.958 13.782
51 HG LEU 9 HG LEU 9 -94.561 3.068 13.944
52 HD11 LEU 9 HD11 LEU 9 -96.585 1.782 13.426
53 HD12 LEU 9 HD12 LEU 9 -95.599 0.520 12.680
54 HD13 LEU 9 HD13 LEU 9 -95.651 2.136 11.971
55 HD21 LEU 9 HD21 LEU 9 -95.466 1.523 15.623
56 HD22 LEU 9 HD22 LEU 9 -93.718 1.692 15.776
57 HD23 LEU 9 HD23 LEU 9 -94.400 0.244 15.029
58 H ALA 10 H ALA 10 -91.314 4.376 10.776
59 HA ALA 10 HA ALA 10 -89.274 2.763 9.586
60 HB1 ALA 10 HB1 ALA 10 -88.329 4.888 8.798
61 HB2 ALA 10 HB2 ALA 10 -89.418 5.787 9.857
62 HB3 ALA 10 HB3 ALA 10 -90.074 4.837 8.522
63 H THR 11 H THR 11 -88.504 1.672 11.472
64 HA THR 11 HA THR 11 -86.827 3.062 13.393
65 HB THR 11 HB THR 11 -86.222 0.620 14.041
66 HG1 THR 11 HG1 THR 11 -87.540 -0.993 13.154
67 HG21 THR 11 HG21 THR 11 -89.162 1.400 14.125
68 HG22 THR 11 HG22 THR 11 -87.932 1.892 15.294
69 HG23 THR 11 HG23 THR 11 -88.385 0.190 15.156
70 H GLY 12 H GLY 12 -85.454 4.134 11.851
71 HA2 GLY 12 HA2 GLY 12 -83.393 2.402 10.559
72 HA3 GLY 12 HA3 GLY 12 -84.032 3.868 9.821
73 H THR 13 H THR 13 -81.397 2.758 11.280
74 HA THR 13 HA THR 13 -80.657 5.390 12.447
75 HB THR 13 HB THR 13 -78.836 4.127 13.684
76 HG1 THR 13 HG1 THR 13 -78.572 2.223 12.708
77 HG21 THR 13 HG21 THR 13 -80.285 3.154 15.431
78 HG22 THR 13 HG22 THR 13 -81.658 3.186 14.323
79 HG23 THR 13 HG23 THR 13 -80.934 4.701 14.873
80 H THR 14 H THR 14 -78.420 6.011 12.039
81 HA THR 14 HA THR 14 -77.272 5.011 9.497
82 HB THR 14 HB THR 14 -78.541 7.097 9.052
83 HG1 THR 14 HG1 THR 14 -77.000 7.586 7.714
84 HG21 THR 14 HG21 THR 14 -77.861 9.253 10.027
85 HG22 THR 14 HG22 THR 14 -76.687 8.436 11.057
86 HG23 THR 14 HG23 THR 14 -78.413 8.151 11.292
87 H ALA 15 H ALA 15 -74.972 5.663 9.241
88 HA ALA 15 HA ALA 15 -73.393 6.486 11.490
89 HB1 ALA 15 HB1 ALA 15 -72.164 4.380 11.867
90 HB2 ALA 15 HB2 ALA 15 -73.213 3.543 10.721
91 HB3 ALA 15 HB3 ALA 15 -73.881 4.169 12.228
92 H ASN 16 H ASN 16 -72.774 7.960 9.810
93 HA ASN 16 HA ASN 16 -71.182 7.033 7.574
94 HB2 ASN 16 HB2 ASN 16 -72.460 9.156 7.400
95 HB3 ASN 16 HB3 ASN 16 -71.502 9.850 8.700
96 HD21 ASN 16 HD21 ASN 16 -69.303 10.416 8.280
97 HD22 ASN 16 HD22 ASN 16 -68.712 10.599 6.666
98 H THR 17 H THR 17 -69.731 5.698 8.781
99 HA THR 17 HA THR 17 -67.629 7.025 10.339
100 HB THR 17 HB THR 17 -66.667 4.638 10.463
101 HG1 THR 17 HG1 THR 17 -67.620 3.143 9.330
102 HG21 THR 17 HG21 THR 17 -69.481 5.027 11.552
103 HG22 THR 17 HG22 THR 17 -67.999 5.605 12.324
104 HG23 THR 17 HG23 THR 17 -68.286 3.872 12.148
105 H ARG 18 H ARG 18 -66.908 8.381 8.690
106 HA ARG 18 HA ARG 18 -65.354 7.166 6.484
107 HB2 ARG 18 HB2 ARG 18 -67.008 8.850 5.774
108 HB3 ARG 18 HB3 ARG 18 -66.348 10.018 6.912
109 HG2 ARG 18 HG2 ARG 18 -64.232 10.087 5.632
110 HG3 ARG 18 HG3 ARG 18 -64.877 8.895 4.500
111 HD2 ARG 18 HD2 ARG 18 -66.608 10.458 3.781
112 HD3 ARG 18 HD3 ARG 18 -66.090 11.640 4.991
113 HE ARG 18 HE ARG 18 -63.842 11.243 3.540
114 HH11 ARG 18 HH11 ARG 18 -67.122 12.087 2.585
115 HH12 ARG 18 HH12 ARG 18 -66.614 12.989 1.191
116 HH21 ARG 18 HH21 ARG 18 -63.191 12.443 1.723
117 HH22 ARG 18 HH22 ARG 18 -64.383 13.187 0.704
118 H GLY 19 H GLY 19 -63.512 6.565 7.536
119 HA2 GLY 19 HA2 GLY 19 -61.610 8.653 8.261
120 HA3 GLY 19 HA3 GLY 19 -62.066 7.564 9.571
121 H ALA 20 H ALA 20 -61.556 6.982 6.118
122 HA ALA 20 HA ALA 20 -60.154 4.517 6.563
123 HB1 ALA 20 HB1 ALA 20 -60.588 6.059 3.982
124 HB2 ALA 20 HB2 ALA 20 -61.685 4.848 4.649
125 HB3 ALA 20 HB3 ALA 20 -60.071 4.377 4.118
126 H SER 21 H SER 21 -59.090 7.738 6.587
127 HA SER 21 HA SER 21 -56.682 7.713 5.143
128 HB2 SER 21 HB2 SER 21 -56.128 9.732 6.627
129 HB3 SER 21 HB3 SER 21 -57.658 9.817 5.755
130 HG SER 21 HG SER 21 -57.430 8.902 8.431
131 H GLN 22 H GLN 22 -57.356 6.445 8.345
132 HA GLN 22 HA GLN 22 -54.663 6.381 9.329
133 HB2 GLN 22 HB2 GLN 22 -56.675 6.289 10.810
134 HB3 GLN 22 HB3 GLN 22 -57.054 4.694 10.167
135 HG2 GLN 22 HG2 GLN 22 -54.713 3.998 11.027
136 HG3 GLN 22 HG3 GLN 22 -54.738 5.500 11.945
137 HE21 GLN 22 HE21 GLN 22 -56.221 5.699 13.692
138 HE22 GLN 22 HE22 GLN 22 -57.000 4.314 14.369
139 H LYS 23 H LYS 23 -53.230 5.351 8.011
140 HA LYS 23 HA LYS 23 -53.451 2.420 7.812
141 HB2 LYS 23 HB2 LYS 23 -52.522 2.416 5.532
142 HB3 LYS 23 HB3 LYS 23 -54.045 3.298 5.572
143 HG2 LYS 23 HG2 LYS 23 -52.849 5.436 5.496
144 HG3 LYS 23 HG3 LYS 23 -51.297 4.592 5.568
145 HD2 LYS 23 HD2 LYS 23 -51.886 3.461 3.390
146 HD3 LYS 23 HD3 LYS 23 -53.331 4.475 3.308
147 HE2 LYS 23 HE2 LYS 23 -51.550 5.436 1.929
148 HE3 LYS 23 HE3 LYS 23 -51.893 6.495 3.297
149 HZ1 LYS 23 HZ1 LYS 23 -49.526 6.248 2.932
150 HZ2 LYS 23 HZ2 LYS 23 -49.630 4.576 3.125
151 HZ3 LYS 23 HZ3 LYS 23 -49.956 5.597 4.429
152 H LYS 24 H LYS 24 -52.189 4.180 9.688
153 HA LYS 24 HA LYS 24 -49.357 4.346 9.210
154 HB2 LYS 24 HB2 LYS 24 -50.609 5.954 10.694
155 HB3 LYS 24 HB3 LYS 24 -50.918 4.634 11.820
156 HG2 LYS 24 HG2 LYS 24 -48.352 4.390 11.970
157 HG3 LYS 24 HG3 LYS 24 -48.272 5.958 11.158
158 HD2 LYS 24 HD2 LYS 24 -49.567 6.981 13.019
159 HD3 LYS 24 HD3 LYS 24 -49.664 5.405 13.817
160 HE2 LYS 24 HE2 LYS 24 -47.146 5.385 13.912
161 HE3 LYS 24 HE3 LYS 24 -47.155 7.034 13.282
162 HZ1 LYS 24 HZ1 LYS 24 -48.440 7.689 15.244
163 HZ2 LYS 24 HZ2 LYS 24 -46.935 7.049 15.655
164 HZ3 LYS 24 HZ3 LYS 24 -48.329 6.114 15.852
165 H GLY 25 H GLY 25 -47.757 2.957 9.942
166 HA2 GLY 25 HA2 GLY 25 -47.387 1.317 11.953
167 HA3 GLY 25 HA3 GLY 25 -48.538 0.334 11.057
168 H GLY 26 H GLY 26 -46.004 2.415 9.761
169 HA2 GLY 26 HA2 GLY 26 -44.182 0.272 9.104
170 HA3 GLY 26 HA3 GLY 26 -45.088 0.872 7.713
171 H GLU 27 H GLU 27 -43.016 1.898 10.396
172 HA GLU 27 HA GLU 27 -42.464 4.523 9.381
173 HB2 GLU 27 HB2 GLU 27 -40.963 2.914 11.496
174 HB3 GLU 27 HB3 GLU 27 -40.821 4.651 11.230
175 HG2 GLU 27 HG2 GLU 27 -43.152 4.979 11.916
176 HG3 GLU 27 HG3 GLU 27 -43.369 3.239 12.098
177 HA PRO 28 HA PRO 28 -39.321 3.299 6.373
178 HB2 PRO 28 HB2 PRO 28 -38.119 5.749 5.938
179 HB3 PRO 28 HB3 PRO 28 -39.706 5.310 5.269
180 HG2 PRO 28 HG2 PRO 28 -39.085 6.950 7.714
181 HG3 PRO 28 HG3 PRO 28 -40.296 7.236 6.442
182 HD2 PRO 28 HD2 PRO 28 -40.978 6.158 8.842
183 HD3 PRO 28 HD3 PRO 28 -41.811 5.705 7.339
184 HA PRO 29 HA PRO 29 -35.896 2.506 9.319
185 HB2 PRO 29 HB2 PRO 29 -34.395 0.888 7.617
186 HB3 PRO 29 HB3 PRO 29 -35.786 0.307 8.560
187 HG2 PRO 29 HG2 PRO 29 -35.697 1.169 5.676
188 HG3 PRO 29 HG3 PRO 29 -36.501 -0.247 6.400
189 HD2 PRO 29 HD2 PRO 29 -37.910 1.957 5.777
190 HD3 PRO 29 HD3 PRO 29 -38.291 1.022 7.241
191 H ALA 30 H ALA 30 -35.220 4.694 9.309
192 HA ALA 30 HA ALA 30 -33.473 5.832 7.345
193 HB1 ALA 30 HB1 ALA 30 -34.840 7.237 8.845
194 HB2 ALA 30 HB2 ALA 30 -33.125 7.616 9.025
195 HB3 ALA 30 HB3 ALA 30 -33.950 6.637 10.246
196 H LEU 31 H LEU 31 -31.313 5.513 7.119
197 HA LEU 31 HA LEU 31 -29.602 4.832 9.351
198 HB2 LEU 31 HB2 LEU 31 -28.628 2.799 8.156
199 HB3 LEU 31 HB3 LEU 31 -30.205 2.599 8.884
200 HG LEU 31 HG LEU 31 -31.192 2.909 6.509
201 HD11 LEU 31 HD11 LEU 31 -28.332 2.383 5.651
202 HD12 LEU 31 HD12 LEU 31 -29.261 3.851 5.355
203 HD13 LEU 31 HD13 LEU 31 -29.749 2.340 4.595
204 HD21 LEU 31 HD21 LEU 31 -30.856 0.546 5.926
205 HD22 LEU 31 HD22 LEU 31 -31.140 0.741 7.654
206 HD23 LEU 31 HD23 LEU 31 -29.503 0.447 7.059
207 H ILE 32 H ILE 32 -27.357 4.901 8.835
208 HA ILE 32 HA ILE 32 -26.566 6.140 6.275
209 HB ILE 32 HB ILE 32 -24.859 7.535 7.597
210 HG12 ILE 32 HG12 ILE 32 -25.719 8.169 10.013
211 HG13 ILE 32 HG13 ILE 32 -26.572 6.633 9.966
212 HG21 ILE 32 HG21 ILE 32 -26.801 8.565 6.539
213 HG22 ILE 32 HG22 ILE 32 -26.469 9.362 8.079
214 HG23 ILE 32 HG23 ILE 32 -27.799 8.207 7.951
215 HD11 ILE 32 HD11 ILE 32 -24.485 6.491 11.200
216 HD12 ILE 32 HD12 ILE 32 -23.581 7.004 9.772
217 HD13 ILE 32 HD13 ILE 32 -24.441 5.463 9.772
218 H VAL 33 H VAL 33 -24.293 5.747 5.752
219 HA VAL 33 HA VAL 33 -22.992 3.542 7.259
220 HB VAL 33 HB VAL 33 -23.102 3.698 4.204
221 HG11 VAL 33 HG11 VAL 33 -22.006 1.463 4.256
222 HG12 VAL 33 HG12 VAL 33 -21.886 1.574 6.013
223 HG13 VAL 33 HG13 VAL 33 -20.997 2.710 4.995
224 HG21 VAL 33 HG21 VAL 33 -25.298 2.997 5.086
225 HG22 VAL 33 HG22 VAL 33 -24.521 1.718 6.025
226 HG23 VAL 33 HG23 VAL 33 -24.495 1.657 4.259
227 H ASP 34 H ASP 34 -21.337 4.624 8.120
228 HA ASP 34 HA ASP 34 -19.633 6.370 6.431
229 HB2 ASP 34 HB2 ASP 34 -20.521 6.802 9.321
230 HB3 ASP 34 HB3 ASP 34 -19.135 7.637 8.623
231 HA PRO 35 HA PRO 35 -16.332 3.680 8.183
232 HB2 PRO 35 HB2 PRO 35 -14.626 3.957 6.063
233 HB3 PRO 35 HB3 PRO 35 -15.950 2.768 6.052
234 HG2 PRO 35 HG2 PRO 35 -15.863 5.500 4.793
235 HG3 PRO 35 HG3 PRO 35 -16.441 3.961 4.108
236 HD2 PRO 35 HD2 PRO 35 -18.152 5.826 5.157
237 HD3 PRO 35 HD3 PRO 35 -18.496 4.083 5.201
238 H LEU 36 H LEU 36 -16.886 6.913 7.402
239 HA LEU 36 HA LEU 36 -16.251 8.856 8.309
240 HB2 LEU 36 HB2 LEU 36 -15.912 7.398 10.396
241 HB3 LEU 36 HB3 LEU 36 -14.206 7.395 10.016
242 HG LEU 36 HG LEU 36 -15.774 9.960 10.581
243 HD11 LEU 36 HD11 LEU 36 -15.902 8.525 12.551
244 HD12 LEU 36 HD12 LEU 36 -14.880 9.924 12.865
245 HD13 LEU 36 HD13 LEU 36 -14.145 8.344 12.564
246 HD21 LEU 36 HD21 LEU 36 -13.663 10.348 9.385
247 HD22 LEU 36 HD22 LEU 36 -12.774 9.453 10.617
248 HD23 LEU 36 HD23 LEU 36 -13.566 10.981 11.028
249 H MET 37 H MET 37 -13.112 7.195 8.422
250 HA MET 37 HA MET 37 -11.648 9.288 7.204
251 HB2 MET 37 HB2 MET 37 -10.923 6.346 7.565
252 HB3 MET 37 HB3 MET 37 -9.779 7.610 7.121
253 HG2 MET 37 HG2 MET 37 -10.138 8.712 9.273
254 HG3 MET 37 HG3 MET 37 -11.333 7.488 9.721
255 HE1 MET 37 HE1 MET 37 -8.290 6.590 12.050
256 HE2 MET 37 HE2 MET 37 -10.022 6.914 11.997
257 HE3 MET 37 HE3 MET 37 -8.872 8.195 11.605
258 H LYS 38 H LYS 38 -13.059 6.314 5.968
259 HA LYS 38 HA LYS 38 -13.384 5.393 3.939
260 HB2 LYS 38 HB2 LYS 38 -14.842 7.419 3.715
261 HB3 LYS 38 HB3 LYS 38 -13.502 8.279 2.972
262 HG2 LYS 38 HG2 LYS 38 -14.967 7.549 1.202
263 HG3 LYS 38 HG3 LYS 38 -13.499 6.566 1.113
264 HD2 LYS 38 HD2 LYS 38 -14.727 4.765 2.395
265 HD3 LYS 38 HD3 LYS 38 -16.194 5.743 2.273
266 HE2 LYS 38 HE2 LYS 38 -16.220 4.036 0.554
267 HE3 LYS 38 HE3 LYS 38 -16.013 5.608 -0.219
268 HZ1 LYS 38 HZ1 LYS 38 -14.520 4.050 -1.202
269 HZ2 LYS 38 HZ2 LYS 38 -13.902 3.586 0.297
270 HZ3 LYS 38 HZ3 LYS 38 -13.599 5.135 -0.298
271 H TYR 39 H TYR 39 -11.475 4.325 3.593
272 HA TYR 39 HA TYR 39 -9.037 5.656 2.812
273 HB2 TYR 39 HB2 TYR 39 -9.720 2.695 3.103
274 HB3 TYR 39 HB3 TYR 39 -8.107 3.320 2.767
275 HD1 TYR 39 HD2 TYR 39 -6.898 4.664 4.497
276 HD2 TYR 39 HD1 TYR 39 -10.631 2.755 5.378
277 HE1 TYR 39 HE2 TYR 39 -6.447 4.893 6.894
278 HE2 TYR 39 HE1 TYR 39 -10.166 2.986 7.786
279 HH TYR 39 HH TYR 39 -7.705 4.980 8.999
280 H ILE 40 H ILE 40 -9.409 6.576 0.820
281 HA ILE 40 HA ILE 40 -10.208 4.950 -1.489
282 HB ILE 40 HB ILE 40 -9.373 7.899 -1.418
283 HG12 ILE 40 HG12 ILE 40 -12.204 6.737 -1.421
284 HG13 ILE 40 HG13 ILE 40 -11.419 7.472 -0.027
285 HG21 ILE 40 HG21 ILE 40 -9.149 6.866 -3.654
286 HG22 ILE 40 HG22 ILE 40 -10.464 8.039 -3.637
287 HG23 ILE 40 HG23 ILE 40 -10.826 6.311 -3.582
288 HD11 ILE 40 HD11 ILE 40 -12.987 8.997 -1.073
289 HD12 ILE 40 HD12 ILE 40 -12.121 8.888 -2.605
290 HD13 ILE 40 HD13 ILE 40 -11.344 9.620 -1.196
291 H CYS 41 H CYS 41 -8.605 3.685 -2.286
292 HA CYS 41 HA CYS 41 -5.838 3.949 -1.966
293 HB2 CYS 41 HB2 CYS 41 -6.903 1.832 -2.627
294 HB3 CYS 41 HB3 CYS 41 -7.409 2.535 -4.161
295 H HIS 42 H HIS 42 -4.414 5.280 -2.899
296 HA HIS 42 HA HIS 42 -5.300 7.367 -4.658
297 HB2 HIS 42 HB2 HIS 42 -3.684 7.629 -2.703
298 HB3 HIS 42 HB3 HIS 42 -2.457 6.853 -3.698
299 HD1 HIS 42 HD1 HIS 42 -0.907 8.799 -4.095
300 HD2 HIS 42 HD2 HIS 42 -4.865 9.786 -4.892
301 HE1 HIS 42 HE1 HIS 42 -0.835 11.072 -5.158
302 HE2 HIS 42 HE2 HIS 42 -3.245 11.667 -5.588
303 H ILE 43 H ILE 43 -4.146 4.281 -5.250
304 HA ILE 43 HA ILE 43 -2.959 4.888 -7.878
305 HB ILE 43 HB ILE 43 -3.278 2.230 -6.400
306 HG12 ILE 43 HG12 ILE 43 -0.805 3.968 -6.874
307 HG13 ILE 43 HG13 ILE 43 -1.633 3.759 -5.336
308 HG21 ILE 43 HG21 ILE 43 -1.811 2.797 -9.010
309 HG22 ILE 43 HG22 ILE 43 -3.308 1.879 -8.847
310 HG23 ILE 43 HG23 ILE 43 -1.816 1.253 -8.146
311 HD11 ILE 43 HD11 ILE 43 0.385 2.472 -5.370
312 HD12 ILE 43 HD12 ILE 43 -0.099 1.647 -6.852
313 HD13 ILE 43 HD13 ILE 43 -0.995 1.374 -5.353
314 H CYS 44 H CYS 44 -5.774 3.342 -6.339
315 HA CYS 44 HA CYS 44 -6.977 2.416 -8.816
316 HB2 CYS 44 HB2 CYS 44 -8.112 2.424 -5.989
317 HB3 CYS 44 HB3 CYS 44 -8.742 1.515 -7.367
318 H ASN 45 H ASN 45 -7.268 5.186 -6.710
319 HA ASN 45 HA ASN 45 -8.734 6.839 -6.309
320 HB2 ASN 45 HB2 ASN 45 -8.322 7.341 -8.737
321 HB3 ASN 45 HB3 ASN 45 -9.720 6.360 -9.158
322 HD21 ASN 45 HD21 ASN 45 -9.501 8.665 -6.433
323 HD22 ASN 45 HD22 ASN 45 -10.681 9.754 -7.053
324 H ARG 46 H ARG 46 -9.544 3.868 -6.034
325 HA ARG 46 HA ARG 46 -12.486 4.151 -5.881
326 HB2 ARG 46 HB2 ARG 46 -10.879 1.564 -6.021
327 HB3 ARG 46 HB3 ARG 46 -12.633 1.707 -6.057
328 HG2 ARG 46 HG2 ARG 46 -10.711 2.661 -8.209
329 HG3 ARG 46 HG3 ARG 46 -11.700 1.199 -8.277
330 HD2 ARG 46 HD2 ARG 46 -13.746 2.645 -8.161
331 HD3 ARG 46 HD3 ARG 46 -12.699 4.070 -8.225
332 HE ARG 46 HE ARG 46 -11.970 2.577 -10.406
333 HH11 ARG 46 HH11 ARG 46 -15.032 3.940 -9.328
334 HH12 ARG 46 HH12 ARG 46 -15.649 4.123 -10.939
335 HH21 ARG 46 HH21 ARG 46 -12.801 2.815 -12.496
336 HH22 ARG 46 HH22 ARG 46 -14.386 3.484 -12.730
337 H GLY 47 H GLY 47 -9.978 2.117 -4.307
338 HA2 GLY 47 HA2 GLY 47 -9.581 1.772 -2.011
339 HA3 GLY 47 HA3 GLY 47 -10.962 2.800 -1.620
340 H ASP 48 H ASP 48 -10.737 0.108 -3.853
341 HA ASP 48 HA ASP 48 -13.052 -1.231 -3.498
342 HB2 ASP 48 HB2 ASP 48 -10.371 -2.642 -3.922
343 HB3 ASP 48 HB3 ASP 48 -11.966 -3.224 -4.412
344 H VAL 49 H VAL 49 -10.091 -2.612 -1.995
345 HA VAL 49 HA VAL 49 -11.749 -3.591 0.263
346 HB VAL 49 HB VAL 49 -9.005 -4.677 -0.539
347 HG11 VAL 49 HG11 VAL 49 -9.675 -6.636 0.859
348 HG12 VAL 49 HG12 VAL 49 -11.190 -5.824 1.262
349 HG13 VAL 49 HG13 VAL 49 -9.654 -5.141 1.799
350 HG21 VAL 49 HG21 VAL 49 -10.577 -5.028 -2.423
351 HG22 VAL 49 HG22 VAL 49 -11.734 -5.793 -1.330
352 HG23 VAL 49 HG23 VAL 49 -10.177 -6.563 -1.646
353 H GLU 50 H GLU 50 -11.690 -1.751 1.500
354 HA GLU 50 HA GLU 50 -9.301 -0.306 2.183
355 HB2 GLU 50 HB2 GLU 50 -12.010 -0.268 3.576
356 HB3 GLU 50 HB3 GLU 50 -10.735 0.944 3.735
357 HG2 GLU 50 HG2 GLU 50 -11.001 1.528 1.352
358 HG3 GLU 50 HG3 GLU 50 -12.275 0.318 1.196
359 H GLU 51 H GLU 51 -10.943 -3.083 3.427
360 HA GLU 51 HA GLU 51 -9.845 -3.332 6.003
361 HB2 GLU 51 HB2 GLU 51 -11.720 -4.670 5.099
362 HB3 GLU 51 HB3 GLU 51 -10.625 -5.462 3.969
363 HG2 GLU 51 HG2 GLU 51 -9.393 -6.432 5.923
364 HG3 GLU 51 HG3 GLU 51 -10.596 -5.709 6.995
365 H SER 52 H SER 52 -8.560 -4.125 2.812
366 HA SER 52 HA SER 52 -6.000 -5.088 3.944
367 HB2 SER 52 HB2 SER 52 -7.113 -5.315 1.114
368 HB3 SER 52 HB3 SER 52 -5.592 -6.015 1.685
369 HG SER 52 HG SER 52 -7.075 -7.049 3.333
370 H MET 53 H MET 53 -7.048 -2.218 3.596
371 HA MET 53 HA MET 53 -5.313 -0.979 1.664
372 HB2 MET 53 HB2 MET 53 -7.482 0.044 2.371
373 HB3 MET 53 HB3 MET 53 -6.823 0.312 3.979
374 HG2 MET 53 HG2 MET 53 -6.659 2.391 2.800
375 HG3 MET 53 HG3 MET 53 -5.025 1.734 2.892
376 HE1 MET 53 HE1 MET 53 -8.125 2.410 0.567
377 HE2 MET 53 HE2 MET 53 -8.006 0.649 0.531
378 HE3 MET 53 HE3 MET 53 -7.635 1.589 -0.914
379 H LEU 54 H LEU 54 -3.251 -0.625 1.970
380 HA LEU 54 HA LEU 54 -1.967 -0.456 4.568
381 HB2 LEU 54 HB2 LEU 54 -0.850 -0.124 1.760
382 HB3 LEU 54 HB3 LEU 54 0.096 -0.186 3.242
383 HG LEU 54 HG LEU 54 -1.512 -2.477 2.050
384 HD11 LEU 54 HD11 LEU 54 1.479 -2.068 2.284
385 HD12 LEU 54 HD12 LEU 54 0.518 -1.975 0.804
386 HD13 LEU 54 HD13 LEU 54 0.668 -3.508 1.656
387 HD21 LEU 54 HD21 LEU 54 -0.535 -3.866 3.841
388 HD22 LEU 54 HD22 LEU 54 -1.564 -2.598 4.495
389 HD23 LEU 54 HD23 LEU 54 0.192 -2.426 4.568
390 H LEU 55 H LEU 55 -2.073 1.425 5.574
391 HA LEU 55 HA LEU 55 -2.340 3.977 4.142
392 HB2 LEU 55 HB2 LEU 55 -3.898 3.164 6.106
393 HB3 LEU 55 HB3 LEU 55 -2.544 3.513 7.154
394 HG LEU 55 HG LEU 55 -4.271 5.309 7.118
395 HD11 LEU 55 HD11 LEU 55 -1.622 6.312 6.037
396 HD12 LEU 55 HD12 LEU 55 -1.988 5.949 7.725
397 HD13 LEU 55 HD13 LEU 55 -2.837 7.256 6.906
398 HD21 LEU 55 HD21 LEU 55 -4.591 6.723 5.176
399 HD22 LEU 55 HD22 LEU 55 -5.005 5.054 4.805
400 HD23 LEU 55 HD23 LEU 55 -3.479 5.733 4.229
401 H CYS 56 H CYS 56 -0.416 4.911 3.734
402 HA CYS 56 HA CYS 56 2.059 4.318 4.985
403 HB2 CYS 56 HB2 CYS 56 2.008 5.235 2.714
404 HB3 CYS 56 HB3 CYS 56 1.255 6.719 3.297
405 H ASP 57 H ASP 57 2.339 4.675 7.095
406 HA ASP 57 HA ASP 57 0.875 6.510 8.686
407 HB2 ASP 57 HB2 ASP 57 1.890 4.469 9.619
408 HB3 ASP 57 HB3 ASP 57 3.507 5.086 9.291
409 H GLY 58 H GLY 58 3.969 6.745 7.066
410 HA2 GLY 58 HA2 GLY 58 4.639 9.370 8.162
411 HA3 GLY 58 HA3 GLY 58 5.623 8.390 7.091
412 H CYS 59 H CYS 59 2.268 8.939 6.295
413 HA CYS 59 HA CYS 59 2.794 11.326 4.691
414 HB2 CYS 59 HB2 CYS 59 1.675 8.754 3.503
415 HB3 CYS 59 HB3 CYS 59 1.627 10.329 2.697
416 H ASP 60 H ASP 60 0.199 8.880 5.002
417 HA ASP 60 HA ASP 60 -1.970 9.631 6.024
418 HB2 ASP 60 HB2 ASP 60 -1.711 12.077 5.580
419 HB3 ASP 60 HB3 ASP 60 -1.664 11.773 3.850
420 H ASP 61 H ASP 61 -0.404 8.880 3.083
421 HA ASP 61 HA ASP 61 -2.695 8.789 1.371
422 HB2 ASP 61 HB2 ASP 61 -0.078 9.239 0.860
423 HB3 ASP 61 HB3 ASP 61 -0.097 7.519 0.526
424 H SER 62 H SER 62 -3.913 7.117 0.712
425 HA SER 62 HA SER 62 -3.629 4.495 1.976
426 HB2 SER 62 HB2 SER 62 -5.841 5.697 0.259
427 HB3 SER 62 HB3 SER 62 -5.901 4.086 0.973
428 HG SER 62 HG SER 62 -6.013 6.597 2.221
429 H TYR 63 H TYR 63 -3.102 2.669 0.909
430 HA TYR 63 HA TYR 63 -2.865 2.530 -2.025
431 HB2 TYR 63 HB2 TYR 63 -0.634 1.780 -0.062
432 HB3 TYR 63 HB3 TYR 63 -0.636 1.359 -1.767
433 HD1 TYR 63 HD2 TYR 63 -0.314 3.123 -3.495
434 HD2 TYR 63 HD1 TYR 63 0.022 4.018 0.672
435 HE1 TYR 63 HE2 TYR 63 0.911 5.171 -4.038
436 HE2 TYR 63 HE1 TYR 63 1.242 6.085 0.130
437 HH TYR 63 HH TYR 63 1.317 7.426 -2.896
438 H HIS 64 H HIS 64 -3.764 0.547 -2.695
439 HA HIS 64 HA HIS 64 -4.231 -1.608 -0.801
440 HB2 HIS 64 HB2 HIS 64 -4.471 -1.513 -3.834
441 HB3 HIS 64 HB3 HIS 64 -4.794 -2.963 -2.903
442 HD2 HIS 64 HD2 HIS 64 -6.689 -1.788 -0.601
443 HE1 HIS 64 HE1 HIS 64 -8.990 -0.377 -3.836
444 HE2 HIS 64 HE2 HIS 64 -8.955 -0.797 -1.339
445 H THR 65 H THR 65 -3.136 -3.532 -0.671
446 HA THR 65 HA THR 65 -0.379 -3.755 -1.033
447 HB THR 65 HB THR 65 -0.829 -6.274 -0.791
448 HG1 THR 65 HG1 THR 65 -3.300 -6.342 -0.085
449 HG21 THR 65 HG21 THR 65 -2.229 -4.487 1.232
450 HG22 THR 65 HG22 THR 65 -0.514 -4.908 1.240
451 HG23 THR 65 HG23 THR 65 -1.728 -6.157 1.508
452 H PHE 66 H PHE 66 -3.046 -4.919 -3.032
453 HA PHE 66 HA PHE 66 -1.370 -6.184 -5.024
454 HB2 PHE 66 HB2 PHE 66 -3.734 -6.679 -6.070
455 HB3 PHE 66 HB3 PHE 66 -3.275 -7.479 -4.577
456 HD1 PHE 66 HD2 PHE 66 -5.399 -4.731 -5.970
457 HD2 PHE 66 HD1 PHE 66 -4.529 -7.159 -2.553
458 HE1 PHE 66 HE2 PHE 66 -7.447 -3.939 -4.862
459 HE2 PHE 66 HE1 PHE 66 -6.581 -6.357 -1.464
460 HZ PHE 66 HZ PHE 66 -8.040 -4.746 -2.619
461 H CYS 67 H CYS 67 -2.342 -2.990 -4.638
462 HA CYS 67 HA CYS 67 -2.498 -2.421 -7.531
463 HB2 CYS 67 HB2 CYS 67 -2.953 -0.592 -5.136
464 HB3 CYS 67 HB3 CYS 67 -3.175 -0.132 -6.832
465 H LEU 68 H LEU 68 -0.291 -2.377 -4.923
466 HA LEU 68 HA LEU 68 1.529 -0.358 -5.823
467 HB2 LEU 68 HB2 LEU 68 1.819 -2.718 -3.939
468 HB3 LEU 68 HB3 LEU 68 3.116 -1.561 -4.210
469 HG LEU 68 HG LEU 68 0.376 -0.687 -3.214
470 HD11 LEU 68 HD11 LEU 68 1.200 -2.327 -1.622
471 HD12 LEU 68 HD12 LEU 68 1.223 -0.706 -0.932
472 HD13 LEU 68 HD13 LEU 68 2.730 -1.455 -1.474
473 HD21 LEU 68 HD21 LEU 68 1.568 1.302 -2.421
474 HD22 LEU 68 HD22 LEU 68 1.786 1.095 -4.155
475 HD23 LEU 68 HD23 LEU 68 3.096 0.669 -3.047
476 H LEU 69 H LEU 69 3.759 -0.785 -6.537
477 HA LEU 69 HA LEU 69 4.191 -3.322 -7.997
478 HB2 LEU 69 HB2 LEU 69 4.830 -0.519 -9.004
479 HB3 LEU 69 HB3 LEU 69 5.488 -1.984 -9.720
480 HG LEU 69 HG LEU 69 2.535 -1.234 -9.630
481 HD11 LEU 69 HD11 LEU 69 2.726 -0.971 -12.054
482 HD12 LEU 69 HD12 LEU 69 4.459 -1.303 -11.966
483 HD13 LEU 69 HD13 LEU 69 3.791 0.143 -11.198
484 HD21 LEU 69 HD21 LEU 69 2.159 -3.199 -11.073
485 HD22 LEU 69 HD22 LEU 69 2.797 -3.668 -9.500
486 HD23 LEU 69 HD23 LEU 69 3.860 -3.655 -10.911
487 HA PRO 70 HA PRO 70 5.429 -4.980 -7.898
488 HB2 PRO 70 HB2 PRO 70 6.512 -6.804 -6.164
489 HB3 PRO 70 HB3 PRO 70 7.465 -6.081 -7.480
490 HG2 PRO 70 HG2 PRO 70 7.398 -5.310 -4.570
491 HG3 PRO 70 HG3 PRO 70 8.800 -5.514 -5.644
492 HD2 PRO 70 HD2 PRO 70 7.738 -3.061 -5.078
493 HD3 PRO 70 HD3 PRO 70 8.531 -3.427 -6.626
494 HA PRO 71 HA PRO 71 1.793 -5.055 -5.205
495 HB2 PRO 71 HB2 PRO 71 1.235 -7.753 -6.400
496 HB3 PRO 71 HB3 PRO 71 0.230 -6.290 -6.410
497 HG2 PRO 71 HG2 PRO 71 1.464 -7.112 -8.635
498 HG3 PRO 71 HG3 PRO 71 1.314 -5.381 -8.250
499 HD2 PRO 71 HD2 PRO 71 3.711 -7.176 -7.921
500 HD3 PRO 71 HD3 PRO 71 3.632 -5.501 -8.512
501 H LEU 72 H LEU 72 1.689 -5.621 -3.113
502 HA LEU 72 HA LEU 72 3.504 -7.594 -2.022
503 HB2 LEU 72 HB2 LEU 72 1.526 -5.750 -0.599
504 HB3 LEU 72 HB3 LEU 72 2.807 -6.685 0.167
505 HG LEU 72 HG LEU 72 3.175 -4.332 -1.740
506 HD11 LEU 72 HD11 LEU 72 4.180 -3.183 0.171
507 HD12 LEU 72 HD12 LEU 72 3.810 -4.560 1.215
508 HD13 LEU 72 HD13 LEU 72 2.505 -3.625 0.480
509 HD21 LEU 72 HD21 LEU 72 5.595 -4.548 -1.338
510 HD22 LEU 72 HD22 LEU 72 4.943 -5.971 -2.142
511 HD23 LEU 72 HD23 LEU 72 5.321 -6.033 -0.418
512 H THR 73 H THR 73 2.758 -9.636 -2.424
513 HA THR 73 HA THR 73 0.084 -10.554 -2.349
514 HB THR 73 HB THR 73 2.582 -12.243 -1.853
515 HG1 THR 73 HG1 THR 73 2.358 -12.463 -4.271
516 HG21 THR 73 HG21 THR 73 1.304 -14.030 -2.998
517 HG22 THR 73 HG22 THR 73 -0.071 -12.938 -3.185
518 HG23 THR 73 HG23 THR 73 0.427 -13.463 -1.574
519 H SER 74 H SER 74 2.449 -10.017 0.124
520 HA SER 74 HA SER 74 0.728 -11.174 2.239
521 HB2 SER 74 HB2 SER 74 3.704 -10.510 2.379
522 HB3 SER 74 HB3 SER 74 2.747 -11.320 3.625
523 HG SER 74 HG SER 74 2.408 -12.678 1.384
524 H ILE 75 H ILE 75 -0.143 -9.781 3.671
525 HA ILE 75 HA ILE 75 0.236 -6.917 3.381
526 HB ILE 75 HB ILE 75 -1.541 -8.412 5.377
527 HG12 ILE 75 HG12 ILE 75 -2.284 -7.274 2.639
528 HG13 ILE 75 HG13 ILE 75 -2.149 -8.984 3.030
529 HG21 ILE 75 HG21 ILE 75 -1.069 -6.068 6.035
530 HG22 ILE 75 HG22 ILE 75 -2.764 -6.279 5.599
531 HG23 ILE 75 HG23 ILE 75 -1.654 -5.503 4.466
532 HD11 ILE 75 HD11 ILE 75 -4.035 -8.764 4.588
533 HD12 ILE 75 HD12 ILE 75 -4.460 -8.302 2.943
534 HD13 ILE 75 HD13 ILE 75 -4.185 -7.057 4.160
535 HA PRO 76 HA PRO 76 3.289 -6.781 6.850
536 HB2 PRO 76 HB2 PRO 76 2.771 -3.838 6.590
537 HB3 PRO 76 HB3 PRO 76 4.315 -4.714 6.547
538 HG2 PRO 76 HG2 PRO 76 3.234 -3.658 4.337
539 HG3 PRO 76 HG3 PRO 76 4.153 -5.178 4.292
540 HD2 PRO 76 HD2 PRO 76 1.181 -4.758 4.185
541 HD3 PRO 76 HD3 PRO 76 2.181 -5.947 3.320
542 H LYS 77 H LYS 77 2.906 -6.638 9.041
543 HA LYS 77 HA LYS 77 0.228 -6.628 9.921
544 HB2 LYS 77 HB2 LYS 77 1.177 -6.840 12.228
545 HB3 LYS 77 HB3 LYS 77 1.807 -8.005 11.084
546 HG2 LYS 77 HG2 LYS 77 3.791 -7.471 12.113
547 HG3 LYS 77 HG3 LYS 77 3.790 -6.200 10.890
548 HD2 LYS 77 HD2 LYS 77 2.669 -4.696 12.674
549 HD3 LYS 77 HD3 LYS 77 3.064 -5.954 13.843
550 HE2 LYS 77 HE2 LYS 77 5.419 -5.645 13.470
551 HE3 LYS 77 HE3 LYS 77 5.125 -4.588 12.090
552 HZ1 LYS 77 HZ1 LYS 77 5.727 -3.350 14.077
553 HZ2 LYS 77 HZ2 LYS 77 4.394 -3.984 14.902
554 HZ3 LYS 77 HZ3 LYS 77 4.161 -2.963 13.575
555 H GLY 78 H GLY 78 -0.777 -4.707 9.352
556 HA2 GLY 78 HA2 GLY 78 -2.025 -3.065 10.409
557 HA3 GLY 78 HA3 GLY 78 -0.792 -2.890 11.640
558 H GLU 79 H GLU 79 1.296 -1.809 10.858
559 HA GLU 79 HA GLU 79 0.549 0.584 9.280
560 HB2 GLU 79 HB2 GLU 79 2.559 0.261 11.547
561 HB3 GLU 79 HB3 GLU 79 2.301 1.759 10.648
562 HG2 GLU 79 HG2 GLU 79 -0.022 1.854 11.442
563 HG3 GLU 79 HG3 GLU 79 0.181 0.324 12.292
564 H TRP 80 H TRP 80 1.438 0.741 7.389
565 HA TRP 80 HA TRP 80 4.143 -0.289 6.774
566 HB2 TRP 80 HB2 TRP 80 2.472 -1.645 5.651
567 HB3 TRP 80 HB3 TRP 80 1.577 -0.228 5.125
568 HD1 TRP 80 HD1 TRP 80 4.783 -2.226 4.267
569 HE1 TRP 80 HE1 TRP 80 5.390 -1.712 1.823
570 HE3 TRP 80 HE3 TRP 80 1.437 1.523 3.390
571 HZ2 TRP 80 HZ2 TRP 80 4.564 0.064 -0.212
572 HZ3 TRP 80 HZ3 TRP 80 1.409 2.590 1.175
573 HH2 TRP 80 HH2 TRP 80 2.943 1.879 -0.591
574 H LEU 81 H LEU 81 5.360 0.987 5.241
575 HA LEU 81 HA LEU 81 4.584 3.850 5.076
576 HB2 LEU 81 HB2 LEU 81 7.357 2.609 5.234
577 HB3 LEU 81 HB3 LEU 81 7.046 4.315 4.941
578 HG LEU 81 HG LEU 81 6.408 2.775 7.484
579 HD11 LEU 81 HD11 LEU 81 8.415 4.986 6.982
580 HD12 LEU 81 HD12 LEU 81 8.779 3.273 7.218
581 HD13 LEU 81 HD13 LEU 81 8.073 4.208 8.533
582 HD21 LEU 81 HD21 LEU 81 5.664 4.917 8.432
583 HD22 LEU 81 HD22 LEU 81 4.655 4.431 7.075
584 HD23 LEU 81 HD23 LEU 81 5.867 5.699 6.859
585 H CYS 82 H CYS 82 4.551 4.779 3.104
586 HA CYS 82 HA CYS 82 4.507 3.325 0.716
587 HB2 CYS 82 HB2 CYS 82 4.429 5.517 -0.429
588 HB3 CYS 82 HB3 CYS 82 3.376 5.518 0.993
589 HA PRO 83 HA PRO 83 8.787 2.910 -0.818
590 HB2 PRO 83 HB2 PRO 83 7.658 4.216 -3.320
591 HB3 PRO 83 HB3 PRO 83 8.692 2.773 -3.172
592 HG2 PRO 83 HG2 PRO 83 6.105 2.434 -3.600
593 HG3 PRO 83 HG3 PRO 83 6.937 1.416 -2.402
594 HD2 PRO 83 HD2 PRO 83 5.110 3.763 -1.928
595 HD3 PRO 83 HD3 PRO 83 5.239 2.234 -1.031
596 H ARG 84 H ARG 84 7.102 5.999 -1.065
597 HA ARG 84 HA ARG 84 9.457 7.592 -1.533
598 HB2 ARG 84 HB2 ARG 84 6.574 8.275 -0.904
599 HB3 ARG 84 HB3 ARG 84 7.806 9.522 -0.797
600 HG2 ARG 84 HG2 ARG 84 6.639 9.591 -2.953
601 HG3 ARG 84 HG3 ARG 84 8.359 9.257 -3.153
602 HD2 ARG 84 HD2 ARG 84 7.856 6.858 -3.486
603 HD3 ARG 84 HD3 ARG 84 6.138 7.189 -3.258
604 HE ARG 84 HE ARG 84 6.205 8.527 -5.289
605 HH11 ARG 84 HH11 ARG 84 8.883 6.278 -4.836
606 HH12 ARG 84 HH12 ARG 84 9.246 6.182 -6.530
607 HH21 ARG 84 HH21 ARG 84 6.685 8.389 -7.495
608 HH22 ARG 84 HH22 ARG 84 7.993 7.388 -8.044
609 H CYS 85 H CYS 85 7.778 6.467 1.379
610 HA CYS 85 HA CYS 85 9.292 8.138 3.198
611 HB2 CYS 85 HB2 CYS 85 7.588 5.675 3.726
612 HB3 CYS 85 HB3 CYS 85 8.264 6.711 4.954
613 H VAL 86 H VAL 86 9.455 4.822 1.907
614 HA VAL 86 HA VAL 86 11.548 3.834 3.578
615 HB VAL 86 HB VAL 86 10.608 2.801 0.857
616 HG11 VAL 86 HG11 VAL 86 12.197 1.371 3.025
617 HG12 VAL 86 HG12 VAL 86 12.820 1.874 1.452
618 HG13 VAL 86 HG13 VAL 86 11.579 0.623 1.549
619 HG21 VAL 86 HG21 VAL 86 9.203 1.217 2.163
620 HG22 VAL 86 HG22 VAL 86 8.762 2.891 2.501
621 HG23 VAL 86 HG23 VAL 86 9.736 1.986 3.661
622 H VAL 87 H VAL 87 11.539 5.114 0.249
623 HA VAL 87 HA VAL 87 14.435 5.105 0.012
624 HB VAL 87 HB VAL 87 12.327 6.379 -1.806
625 HG11 VAL 87 HG11 VAL 87 14.516 7.465 -2.164
626 HG12 VAL 87 HG12 VAL 87 14.065 6.492 -3.564
627 HG13 VAL 87 HG13 VAL 87 15.269 5.888 -2.421
628 HG21 VAL 87 HG21 VAL 87 12.094 3.928 -1.698
629 HG22 VAL 87 HG22 VAL 87 13.796 3.732 -2.126
630 HG23 VAL 87 HG23 VAL 87 12.668 4.430 -3.292
631 H GLU 88 H GLU 88 12.090 7.197 1.391
632 HA GLU 88 HA GLU 88 11.997 9.224 2.239
633 HB2 GLU 88 HB2 GLU 88 14.038 8.431 3.456
634 HB3 GLU 88 HB3 GLU 88 15.031 9.131 2.180
635 HG2 GLU 88 HG2 GLU 88 13.827 11.334 2.740
636 HG3 GLU 88 HG3 GLU 88 13.334 10.533 4.227
637 H GLU 89 H GLU 89 14.973 9.931 0.527
638 HA GLU 89 HA GLU 89 13.887 10.913 -1.891
639 HB2 GLU 89 HB2 GLU 89 13.612 12.771 0.203
640 HB3 GLU 89 HB3 GLU 89 15.138 13.262 -0.510
641 HG2 GLU 89 HG2 GLU 89 12.423 13.134 -1.850
642 HG3 GLU 89 HG3 GLU 89 13.346 14.578 -1.446
643 H VAL 90 H VAL 90 15.997 9.187 -0.640
644 HA VAL 90 HA VAL 90 18.488 10.492 -1.554
645 HB VAL 90 HB VAL 90 19.724 8.734 -0.256
646 HG11 VAL 90 HG11 VAL 90 17.722 10.333 1.382
647 HG12 VAL 90 HG12 VAL 90 19.258 10.926 0.744
648 HG13 VAL 90 HG13 VAL 90 19.248 9.667 1.983
649 HG21 VAL 90 HG21 VAL 90 18.019 6.933 -0.223
650 HG22 VAL 90 HG22 VAL 90 16.997 7.913 0.829
651 HG23 VAL 90 HG23 VAL 90 18.559 7.328 1.411
652 H SER 91 H SER 91 17.361 10.027 -3.729
653 HA SER 91 HA SER 91 17.817 7.406 -4.862
654 HB2 SER 91 HB2 SER 91 17.376 10.099 -6.231
655 HB3 SER 91 HB3 SER 91 17.374 8.536 -7.046
656 HG SER 91 HG SER 91 15.637 9.089 -4.881
657 H LYS 92 H LYS 92 19.943 6.991 -4.185
658 HA LYS 92 HA LYS 92 22.131 8.681 -5.249
659 HB2 LYS 92 HB2 LYS 92 22.272 6.684 -2.934
660 HB3 LYS 92 HB3 LYS 92 23.536 7.804 -3.440
661 HG2 LYS 92 HG2 LYS 92 20.865 8.559 -2.193
662 HG3 LYS 92 HG3 LYS 92 22.435 8.552 -1.381
663 HD2 LYS 92 HD2 LYS 92 23.225 10.339 -2.926
664 HD3 LYS 92 HD3 LYS 92 21.644 10.347 -3.716
665 HE2 LYS 92 HE2 LYS 92 20.602 11.036 -1.568
666 HE3 LYS 92 HE3 LYS 92 22.199 11.075 -0.814
667 HZ1 LYS 92 HZ1 LYS 92 21.482 13.272 -1.494
668 HZ2 LYS 92 HZ2 LYS 92 21.307 12.759 -3.093
669 HZ3 LYS 92 HZ3 LYS 92 22.839 12.805 -2.385
670 HA PRO 93 HA PRO 93 23.153 4.865 -7.670
671 HB2 PRO 93 HB2 PRO 93 24.729 6.887 -9.220
672 HB3 PRO 93 HB3 PRO 93 23.572 5.682 -9.823
673 HG2 PRO 93 HG2 PRO 93 22.962 8.300 -9.819
674 HG3 PRO 93 HG3 PRO 93 21.730 7.063 -9.471
675 HD2 PRO 93 HD2 PRO 93 23.249 8.803 -7.520
676 HD3 PRO 93 HD3 PRO 93 21.517 8.391 -7.556
677 H GLN 94 H GLN 94 25.374 7.647 -7.272
678 HA GLN 94 HA GLN 94 26.677 6.832 -4.968
679 HB2 GLN 94 HB2 GLN 94 27.920 5.628 -7.389
680 HB3 GLN 94 HB3 GLN 94 29.066 6.564 -6.437
681 HG2 GLN 94 HG2 GLN 94 28.410 5.226 -4.419
682 HG3 GLN 94 HG3 GLN 94 27.384 4.238 -5.454
683 HE21 GLN 94 HE21 GLN 94 28.370 2.813 -6.927
684 HE22 GLN 94 HE22 GLN 94 30.030 2.349 -6.783
Start of MODEL 10
1 H1 SER 1 H1 SER 1-104.547 45.944 14.585
2 H2 SER 1 H2 SER 1-104.182 47.285 15.545
3 H3 SER 1 H3 SER 1-105.771 47.021 15.039
4 HA SER 1 HA SER 1-105.464 46.437 17.346
5 HB2 SER 1 HB2 SER 1-106.023 44.087 15.491
6 HB3 SER 1 HB3 SER 1-106.546 44.201 17.174
7 HG SER 1 HG SER 1-108.201 44.825 15.756
8 H HIS 2 H HIS 2-102.723 46.005 15.744
9 HA HIS 2 HA HIS 2-101.529 44.144 17.704
10 HB2 HIS 2 HB2 HIS 2-102.079 42.863 15.599
11 HB3 HIS 2 HB3 HIS 2-101.082 43.978 14.675
12 HD2 HIS 2 HD2 HIS 2-100.654 41.058 17.266
13 HE1 HIS 2 HE1 HIS 2 -96.910 41.935 15.515
14 HE2 HIS 2 HE2 HIS 2 -98.208 40.289 16.922
15 H MET 3 H MET 3 -99.171 44.375 17.827
16 HA MET 3 HA MET 3 -98.169 47.055 17.485
17 HB2 MET 3 HB2 MET 3 -96.053 46.121 18.467
18 HB3 MET 3 HB3 MET 3 -97.467 45.762 19.442
19 HG2 MET 3 HG2 MET 3 -97.494 43.466 18.592
20 HG3 MET 3 HG3 MET 3 -96.116 43.819 17.553
21 HE1 MET 3 HE1 MET 3 -96.108 41.321 19.540
22 HE2 MET 3 HE2 MET 3 -94.497 41.472 20.238
23 HE3 MET 3 HE3 MET 3 -94.731 41.756 18.515
24 H SER 4 H SER 4 -98.618 47.067 15.128
25 HA SER 4 HA SER 4 -97.297 45.356 13.279
26 HB2 SER 4 HB2 SER 4 -98.627 48.060 12.809
27 HB3 SER 4 HB3 SER 4 -98.244 46.868 11.563
28 HG SER 4 HG SER 4 -99.872 45.628 12.222
29 H GLY 5 H GLY 5 -95.121 45.365 13.544
30 HA2 GLY 5 HA2 GLY 5 -93.415 47.082 12.228
31 HA3 GLY 5 HA3 GLY 5 -93.470 47.688 13.883
32 H GLY 6 H GLY 6 -93.223 44.603 12.163
33 HA2 GLY 6 HA2 GLY 6 -90.725 43.876 13.437
34 HA3 GLY 6 HA3 GLY 6 -92.105 42.913 13.966
35 H SER 7 H SER 7 -89.668 43.163 11.643
36 HA SER 7 HA SER 7 -90.843 41.051 9.991
37 HB2 SER 7 HB2 SER 7 -90.224 42.275 7.881
38 HB3 SER 7 HB3 SER 7 -91.494 43.094 8.785
39 HG SER 7 HG SER 7 -90.067 44.627 9.431
40 HA PRO 8 HA PRO 8 -86.498 39.766 10.214
41 HB2 PRO 8 HB2 PRO 8 -87.032 37.773 8.086
42 HB3 PRO 8 HB3 PRO 8 -86.709 37.498 9.807
43 HG2 PRO 8 HG2 PRO 8 -89.144 37.033 8.702
44 HG3 PRO 8 HG3 PRO 8 -88.942 37.552 10.391
45 HD2 PRO 8 HD2 PRO 8 -89.679 39.223 7.984
46 HD3 PRO 8 HD3 PRO 8 -90.383 39.231 9.620
47 H LEU 9 H LEU 9 -84.574 39.749 8.916
48 HA LEU 9 HA LEU 9 -84.693 40.442 6.105
49 HB2 LEU 9 HB2 LEU 9 -83.219 42.470 6.388
50 HB3 LEU 9 HB3 LEU 9 -84.871 42.655 6.925
51 HG LEU 9 HG LEU 9 -83.950 42.258 9.339
52 HD11 LEU 9 HD11 LEU 9 -81.613 42.917 9.749
53 HD12 LEU 9 HD12 LEU 9 -81.315 42.965 8.007
54 HD13 LEU 9 HD13 LEU 9 -81.714 41.438 8.795
55 HD21 LEU 9 HD21 LEU 9 -84.804 44.415 8.543
56 HD22 LEU 9 HD22 LEU 9 -83.219 44.817 7.880
57 HD23 LEU 9 HD23 LEU 9 -83.429 44.634 9.625
58 H ALA 10 H ALA 10 -82.828 40.029 4.987
59 HA ALA 10 HA ALA 10 -80.291 39.388 6.096
60 HB1 ALA 10 HB1 ALA 10 -80.232 36.953 5.536
61 HB2 ALA 10 HB2 ALA 10 -81.960 36.993 5.180
62 HB3 ALA 10 HB3 ALA 10 -81.390 37.294 6.823
63 H THR 11 H THR 11 -79.834 40.933 4.470
64 HA THR 11 HA THR 11 -79.427 39.779 1.783
65 HB THR 11 HB THR 11 -80.545 42.602 2.221
66 HG1 THR 11 HG1 THR 11 -82.146 41.004 2.499
67 HG21 THR 11 HG21 THR 11 -79.994 41.115 -0.380
68 HG22 THR 11 HG22 THR 11 -79.041 42.463 0.243
69 HG23 THR 11 HG23 THR 11 -80.721 42.714 -0.239
70 H GLY 12 H GLY 12 -77.256 39.664 1.876
71 HA2 GLY 12 HA2 GLY 12 -75.470 41.669 1.535
72 HA3 GLY 12 HA3 GLY 12 -75.610 41.585 3.290
73 H THR 13 H THR 13 -75.282 39.331 0.522
74 HA THR 13 HA THR 13 -73.315 37.752 2.066
75 HB THR 13 HB THR 13 -75.140 36.441 1.003
76 HG1 THR 13 HG1 THR 13 -73.771 34.875 0.478
77 HG21 THR 13 HG21 THR 13 -73.987 37.356 -1.665
78 HG22 THR 13 HG22 THR 13 -75.556 37.830 -1.013
79 HG23 THR 13 HG23 THR 13 -75.256 36.147 -1.439
80 H THR 14 H THR 14 -71.279 37.253 1.152
81 HA THR 14 HA THR 14 -70.313 38.411 -1.277
82 HB THR 14 HB THR 14 -70.186 40.470 0.024
83 HG1 THR 14 HG1 THR 14 -68.045 40.926 -0.280
84 HG21 THR 14 HG21 THR 14 -68.523 39.000 2.109
85 HG22 THR 14 HG22 THR 14 -70.181 39.560 2.334
86 HG23 THR 14 HG23 THR 14 -68.878 40.728 2.100
87 H ALA 15 H ALA 15 -68.949 36.909 -2.040
88 HA ALA 15 HA ALA 15 -67.091 35.434 -0.365
89 HB1 ALA 15 HB1 ALA 15 -67.992 33.198 -0.892
90 HB2 ALA 15 HB2 ALA 15 -69.354 33.929 -1.746
91 HB3 ALA 15 HB3 ALA 15 -69.182 34.153 -0.004
92 H ASN 16 H ASN 16 -65.705 36.603 -1.821
93 HA ASN 16 HA ASN 16 -64.997 34.995 -4.160
94 HB2 ASN 16 HB2 ASN 16 -66.419 36.798 -5.129
95 HB3 ASN 16 HB3 ASN 16 -65.411 38.024 -4.366
96 HD21 ASN 16 HD21 ASN 16 -64.958 38.954 -6.392
97 HD22 ASN 16 HD22 ASN 16 -63.883 38.219 -7.526
98 H THR 17 H THR 17 -63.204 34.321 -3.034
99 HA THR 17 HA THR 17 -61.282 36.250 -1.966
100 HB THR 17 HB THR 17 -61.664 34.216 -0.643
101 HG1 THR 17 HG1 THR 17 -59.529 35.189 -0.715
102 HG21 THR 17 HG21 THR 17 -60.927 31.980 -1.408
103 HG22 THR 17 HG22 THR 17 -60.559 32.639 -3.002
104 HG23 THR 17 HG23 THR 17 -62.228 32.598 -2.432
105 H ARG 18 H ARG 18 -59.363 36.790 -2.946
106 HA ARG 18 HA ARG 18 -58.486 35.448 -5.406
107 HB2 ARG 18 HB2 ARG 18 -60.115 37.389 -5.959
108 HB3 ARG 18 HB3 ARG 18 -58.866 38.473 -5.366
109 HG2 ARG 18 HG2 ARG 18 -58.500 38.496 -7.676
110 HG3 ARG 18 HG3 ARG 18 -57.322 37.308 -7.126
111 HD2 ARG 18 HD2 ARG 18 -60.033 36.697 -8.348
112 HD3 ARG 18 HD3 ARG 18 -58.481 36.571 -9.172
113 HE ARG 18 HE ARG 18 -58.078 34.904 -7.147
114 HH11 ARG 18 HH11 ARG 18 -60.916 35.137 -9.241
115 HH12 ARG 18 HH12 ARG 18 -61.304 33.452 -9.079
116 HH21 ARG 18 HH21 ARG 18 -58.600 32.703 -6.974
117 HH22 ARG 18 HH22 ARG 18 -59.993 32.080 -7.799
118 H GLY 19 H GLY 19 -56.552 34.832 -4.619
119 HA2 GLY 19 HA2 GLY 19 -54.320 36.460 -4.602
120 HA3 GLY 19 HA3 GLY 19 -54.845 36.382 -2.922
121 H ALA 20 H ALA 20 -53.293 34.703 -5.502
122 HA ALA 20 HA ALA 20 -52.447 32.543 -3.719
123 HB1 ALA 20 HB1 ALA 20 -53.050 30.770 -5.337
124 HB2 ALA 20 HB2 ALA 20 -53.827 31.968 -6.377
125 HB3 ALA 20 HB3 ALA 20 -54.487 31.625 -4.777
126 H SER 21 H SER 21 -50.283 32.639 -3.888
127 HA SER 21 HA SER 21 -48.990 33.034 -6.538
128 HB2 SER 21 HB2 SER 21 -48.041 34.140 -3.847
129 HB3 SER 21 HB3 SER 21 -47.188 34.301 -5.383
130 HG SER 21 HG SER 21 -49.849 35.158 -5.234
131 H GLN 22 H GLN 22 -48.650 30.847 -6.893
132 HA GLN 22 HA GLN 22 -47.288 29.165 -4.908
133 HB2 GLN 22 HB2 GLN 22 -48.249 28.490 -7.734
134 HB3 GLN 22 HB3 GLN 22 -47.510 27.344 -6.625
135 HG2 GLN 22 HG2 GLN 22 -49.882 26.970 -6.637
136 HG3 GLN 22 HG3 GLN 22 -49.436 27.650 -5.076
137 HE21 GLN 22 HE21 GLN 22 -50.903 28.394 -8.183
138 HE22 GLN 22 HE22 GLN 22 -51.836 29.738 -7.629
139 H LYS 23 H LYS 23 -45.134 29.755 -4.753
140 HA LYS 23 HA LYS 23 -43.456 29.135 -7.065
141 HB2 LYS 23 HB2 LYS 23 -43.904 31.640 -7.185
142 HB3 LYS 23 HB3 LYS 23 -43.081 31.814 -5.636
143 HG2 LYS 23 HG2 LYS 23 -41.027 30.801 -6.692
144 HG3 LYS 23 HG3 LYS 23 -41.872 30.821 -8.244
145 HD2 LYS 23 HD2 LYS 23 -42.078 33.307 -8.062
146 HD3 LYS 23 HD3 LYS 23 -41.179 33.248 -6.543
147 HE2 LYS 23 HE2 LYS 23 -40.145 32.472 -9.289
148 HE3 LYS 23 HE3 LYS 23 -39.673 33.884 -8.346
149 HZ1 LYS 23 HZ1 LYS 23 -38.006 32.195 -8.163
150 HZ2 LYS 23 HZ2 LYS 23 -39.133 31.040 -7.671
151 HZ3 LYS 23 HZ3 LYS 23 -38.766 32.347 -6.663
152 H LYS 24 H LYS 24 -42.314 27.558 -6.193
153 HA LYS 24 HA LYS 24 -40.388 28.063 -4.103
154 HB2 LYS 24 HB2 LYS 24 -41.019 26.151 -2.665
155 HB3 LYS 24 HB3 LYS 24 -42.300 27.357 -2.703
156 HG2 LYS 24 HG2 LYS 24 -43.619 25.981 -4.221
157 HG3 LYS 24 HG3 LYS 24 -42.305 24.804 -4.343
158 HD2 LYS 24 HD2 LYS 24 -42.544 24.248 -1.961
159 HD3 LYS 24 HD3 LYS 24 -43.802 25.474 -1.777
160 HE2 LYS 24 HE2 LYS 24 -44.003 23.032 -3.575
161 HE3 LYS 24 HE3 LYS 24 -44.725 23.172 -1.971
162 HZ1 LYS 24 HZ1 LYS 24 -46.350 23.644 -3.667
163 HZ2 LYS 24 HZ2 LYS 24 -45.380 24.855 -4.333
164 HZ3 LYS 24 HZ3 LYS 24 -46.034 25.053 -2.789
165 H GLY 25 H GLY 25 -39.440 25.499 -3.703
166 HA2 GLY 25 HA2 GLY 25 -38.615 23.549 -4.727
167 HA3 GLY 25 HA3 GLY 25 -39.169 24.135 -6.291
168 H GLY 26 H GLY 26 -37.139 23.672 -7.248
169 HA2 GLY 26 HA2 GLY 26 -35.061 24.214 -8.063
170 HA3 GLY 26 HA3 GLY 26 -35.253 25.787 -7.305
171 H GLU 27 H GLU 27 -35.328 22.737 -5.592
172 HA GLU 27 HA GLU 27 -33.359 23.493 -3.664
173 HB2 GLU 27 HB2 GLU 27 -35.294 22.030 -3.159
174 HB3 GLU 27 HB3 GLU 27 -34.690 20.809 -4.272
175 HG2 GLU 27 HG2 GLU 27 -34.235 20.092 -2.014
176 HG3 GLU 27 HG3 GLU 27 -32.702 20.493 -2.783
177 HA PRO 28 HA PRO 28 -29.950 21.769 -6.240
178 HB2 PRO 28 HB2 PRO 28 -27.935 23.309 -5.280
179 HB3 PRO 28 HB3 PRO 28 -29.197 23.987 -6.325
180 HG2 PRO 28 HG2 PRO 28 -28.803 24.358 -3.407
181 HG3 PRO 28 HG3 PRO 28 -29.587 25.431 -4.584
182 HD2 PRO 28 HD2 PRO 28 -30.866 23.571 -2.780
183 HD3 PRO 28 HD3 PRO 28 -31.641 24.628 -3.978
184 HA PRO 29 HA PRO 29 -28.703 19.055 -2.719
185 HB2 PRO 29 HB2 PRO 29 -29.194 16.636 -3.961
186 HB3 PRO 29 HB3 PRO 29 -30.456 17.613 -3.187
187 HG2 PRO 29 HG2 PRO 29 -30.088 17.075 -6.029
188 HG3 PRO 29 HG3 PRO 29 -31.461 17.844 -5.211
189 HD2 PRO 29 HD2 PRO 29 -29.205 19.118 -6.630
190 HD3 PRO 29 HD3 PRO 29 -30.761 19.817 -6.139
191 H ALA 30 H ALA 30 -26.568 19.930 -3.092
192 HA ALA 30 HA ALA 30 -24.660 18.825 -4.882
193 HB1 ALA 30 HB1 ALA 30 -22.979 19.883 -3.404
194 HB2 ALA 30 HB2 ALA 30 -24.237 20.192 -2.203
195 HB3 ALA 30 HB3 ALA 30 -24.308 20.986 -3.776
196 H LEU 31 H LEU 31 -24.531 16.627 -4.894
197 HA LEU 31 HA LEU 31 -24.592 15.034 -2.471
198 HB2 LEU 31 HB2 LEU 31 -24.251 14.167 -5.364
199 HB3 LEU 31 HB3 LEU 31 -24.542 13.094 -4.007
200 HG LEU 31 HG LEU 31 -26.503 15.146 -5.112
201 HD11 LEU 31 HD11 LEU 31 -26.215 13.231 -6.600
202 HD12 LEU 31 HD12 LEU 31 -27.812 13.214 -5.860
203 HD13 LEU 31 HD13 LEU 31 -26.560 12.117 -5.272
204 HD21 LEU 31 HD21 LEU 31 -28.161 14.177 -3.562
205 HD22 LEU 31 HD22 LEU 31 -26.822 14.930 -2.699
206 HD23 LEU 31 HD23 LEU 31 -26.901 13.171 -2.835
207 H ILE 32 H ILE 32 -22.549 16.319 -1.852
208 HA ILE 32 HA ILE 32 -20.094 14.933 -2.671
209 HB ILE 32 HB ILE 32 -20.452 16.959 -0.406
210 HG12 ILE 32 HG12 ILE 32 -21.090 18.015 -2.551
211 HG13 ILE 32 HG13 ILE 32 -19.586 18.696 -1.950
212 HG21 ILE 32 HG21 ILE 32 -17.922 16.015 -1.812
213 HG22 ILE 32 HG22 ILE 32 -18.419 15.592 -0.174
214 HG23 ILE 32 HG23 ILE 32 -17.999 17.259 -0.564
215 HD11 ILE 32 HD11 ILE 32 -19.871 16.678 -4.179
216 HD12 ILE 32 HD12 ILE 32 -18.341 17.330 -3.579
217 HD13 ILE 32 HD13 ILE 32 -19.519 18.397 -4.342
218 H VAL 33 H VAL 33 -19.970 12.919 -1.923
219 HA VAL 33 HA VAL 33 -21.779 11.724 -0.165
220 HB VAL 33 HB VAL 33 -20.336 9.689 -0.314
221 HG11 VAL 33 HG11 VAL 33 -20.726 11.137 -2.961
222 HG12 VAL 33 HG12 VAL 33 -21.938 10.177 -2.108
223 HG13 VAL 33 HG13 VAL 33 -20.499 9.396 -2.764
224 HG21 VAL 33 HG21 VAL 33 -18.366 11.472 -1.813
225 HG22 VAL 33 HG22 VAL 33 -18.246 9.718 -1.645
226 HG23 VAL 33 HG23 VAL 33 -18.103 10.752 -0.221
227 H ASP 34 H ASP 34 -18.668 13.094 0.486
228 HA ASP 34 HA ASP 34 -18.710 12.263 3.326
229 HB2 ASP 34 HB2 ASP 34 -16.314 12.877 3.340
230 HB3 ASP 34 HB3 ASP 34 -16.644 11.677 2.090
231 HA PRO 35 HA PRO 35 -19.087 16.788 4.107
232 HB2 PRO 35 HB2 PRO 35 -19.751 16.719 6.703
233 HB3 PRO 35 HB3 PRO 35 -20.884 16.087 5.488
234 HG2 PRO 35 HG2 PRO 35 -19.074 14.570 7.331
235 HG3 PRO 35 HG3 PRO 35 -20.732 14.195 6.817
236 HD2 PRO 35 HD2 PRO 35 -18.376 13.113 5.677
237 HD3 PRO 35 HD3 PRO 35 -20.004 13.041 4.974
238 H LEU 36 H LEU 36 -16.465 14.971 4.445
239 HA LEU 36 HA LEU 36 -14.954 17.068 5.784
240 HB2 LEU 36 HB2 LEU 36 -13.802 15.718 7.379
241 HB3 LEU 36 HB3 LEU 36 -15.521 15.524 7.641
242 HG LEU 36 HG LEU 36 -13.696 13.456 6.334
243 HD11 LEU 36 HD11 LEU 36 -13.183 13.715 8.703
244 HD12 LEU 36 HD12 LEU 36 -13.951 12.162 8.397
245 HD13 LEU 36 HD13 LEU 36 -14.881 13.475 9.123
246 HD21 LEU 36 HD21 LEU 36 -15.565 11.888 6.539
247 HD22 LEU 36 HD22 LEU 36 -15.985 13.243 5.495
248 HD23 LEU 36 HD23 LEU 36 -16.604 13.179 7.148
249 H MET 37 H MET 37 -14.366 13.751 4.463
250 HA MET 37 HA MET 37 -12.805 14.322 2.270
251 HB2 MET 37 HB2 MET 37 -10.467 14.099 3.008
252 HB3 MET 37 HB3 MET 37 -11.201 15.457 3.850
253 HG2 MET 37 HG2 MET 37 -11.442 14.123 5.877
254 HG3 MET 37 HG3 MET 37 -10.822 12.692 5.046
255 HE1 MET 37 HE1 MET 37 -7.890 13.493 7.492
256 HE2 MET 37 HE2 MET 37 -8.997 12.255 6.898
257 HE3 MET 37 HE3 MET 37 -9.618 13.629 7.819
258 H LYS 38 H LYS 38 -11.894 12.395 1.361
259 HA LYS 38 HA LYS 38 -11.560 10.037 3.127
260 HB2 LYS 38 HB2 LYS 38 -12.000 9.813 0.107
261 HB3 LYS 38 HB3 LYS 38 -11.851 8.503 1.265
262 HG2 LYS 38 HG2 LYS 38 -14.125 8.507 0.733
263 HG3 LYS 38 HG3 LYS 38 -14.076 9.379 2.267
264 HD2 LYS 38 HD2 LYS 38 -15.584 10.484 0.667
265 HD3 LYS 38 HD3 LYS 38 -14.214 11.526 1.057
266 HE2 LYS 38 HE2 LYS 38 -13.131 10.693 -1.101
267 HE3 LYS 38 HE3 LYS 38 -14.675 9.935 -1.486
268 HZ1 LYS 38 HZ1 LYS 38 -14.536 12.067 -2.535
269 HZ2 LYS 38 HZ2 LYS 38 -14.189 12.831 -1.069
270 HZ3 LYS 38 HZ3 LYS 38 -15.711 12.143 -1.323
271 H TYR 39 H TYR 39 -9.537 8.917 2.753
272 HA TYR 39 HA TYR 39 -7.415 10.458 1.594
273 HB2 TYR 39 HB2 TYR 39 -7.401 7.546 2.485
274 HB3 TYR 39 HB3 TYR 39 -5.970 8.487 2.070
275 HD1 TYR 39 HD2 TYR 39 -6.621 11.089 3.470
276 HD2 TYR 39 HD1 TYR 39 -7.026 7.039 4.775
277 HE1 TYR 39 HE2 TYR 39 -6.400 11.818 5.805
278 HE2 TYR 39 HE1 TYR 39 -6.798 7.767 7.108
279 HH TYR 39 HH TYR 39 -6.946 11.057 8.045
280 H ILE 40 H ILE 40 -9.168 7.545 0.683
281 HA ILE 40 HA ILE 40 -9.528 6.380 -1.192
282 HB ILE 40 HB ILE 40 -8.802 9.051 -2.417
283 HG12 ILE 40 HG12 ILE 40 -11.408 7.471 -2.299
284 HG13 ILE 40 HG13 ILE 40 -10.992 8.859 -1.302
285 HG21 ILE 40 HG21 ILE 40 -8.028 7.449 -4.081
286 HG22 ILE 40 HG22 ILE 40 -9.467 8.292 -4.652
287 HG23 ILE 40 HG23 ILE 40 -9.593 6.637 -4.052
288 HD11 ILE 40 HD11 ILE 40 -12.535 9.513 -3.031
289 HD12 ILE 40 HD12 ILE 40 -11.476 8.879 -4.288
290 HD13 ILE 40 HD13 ILE 40 -10.975 10.278 -3.333
291 H CYS 41 H CYS 41 -8.464 5.016 -2.781
292 HA CYS 41 HA CYS 41 -5.650 4.584 -2.304
293 HB2 CYS 41 HB2 CYS 41 -7.120 2.678 -2.573
294 HB3 CYS 41 HB3 CYS 41 -7.629 3.235 -4.156
295 H HIS 42 H HIS 42 -4.203 5.817 -3.245
296 HA HIS 42 HA HIS 42 -4.689 7.825 -5.115
297 HB2 HIS 42 HB2 HIS 42 -2.869 7.652 -3.344
298 HB3 HIS 42 HB3 HIS 42 -1.983 6.614 -4.448
299 HD1 HIS 42 HD1 HIS 42 -0.077 7.973 -5.205
300 HD2 HIS 42 HD2 HIS 42 -3.587 10.196 -5.120
301 HE1 HIS 42 HE1 HIS 42 0.545 10.257 -6.038
302 HE2 HIS 42 HE2 HIS 42 -1.599 11.563 -6.032
303 H ILE 43 H ILE 43 -4.136 4.511 -5.762
304 HA ILE 43 HA ILE 43 -2.980 4.980 -8.436
305 HB ILE 43 HB ILE 43 -3.146 2.399 -6.806
306 HG12 ILE 43 HG12 ILE 43 -0.778 4.215 -7.448
307 HG13 ILE 43 HG13 ILE 43 -1.532 4.033 -5.870
308 HG21 ILE 43 HG21 ILE 43 -1.786 2.879 -9.484
309 HG22 ILE 43 HG22 ILE 43 -3.244 1.922 -9.234
310 HG23 ILE 43 HG23 ILE 43 -1.710 1.385 -8.549
311 HD11 ILE 43 HD11 ILE 43 0.007 1.921 -7.371
312 HD12 ILE 43 HD12 ILE 43 -0.794 1.692 -5.815
313 HD13 ILE 43 HD13 ILE 43 0.543 2.831 -5.959
314 H CYS 44 H CYS 44 -5.828 3.541 -6.791
315 HA CYS 44 HA CYS 44 -6.859 2.642 -9.435
316 HB2 CYS 44 HB2 CYS 44 -8.211 0.987 -8.218
317 HB3 CYS 44 HB3 CYS 44 -6.517 0.840 -7.769
318 H ASN 45 H ASN 45 -7.227 5.189 -7.373
319 HA ASN 45 HA ASN 45 -8.491 7.032 -7.581
320 HB2 ASN 45 HB2 ASN 45 -8.727 6.534 -9.996
321 HB3 ASN 45 HB3 ASN 45 -10.130 5.536 -9.656
322 HD21 ASN 45 HD21 ASN 45 -9.516 8.681 -8.115
323 HD22 ASN 45 HD22 ASN 45 -10.825 9.496 -8.891
324 H ARG 46 H ARG 46 -10.023 4.020 -6.742
325 HA ARG 46 HA ARG 46 -12.107 5.499 -5.225
326 HB2 ARG 46 HB2 ARG 46 -12.194 2.900 -6.724
327 HB3 ARG 46 HB3 ARG 46 -13.039 2.914 -5.184
328 HG2 ARG 46 HG2 ARG 46 -14.598 3.414 -6.945
329 HG3 ARG 46 HG3 ARG 46 -14.380 4.846 -5.943
330 HD2 ARG 46 HD2 ARG 46 -12.844 5.781 -7.691
331 HD3 ARG 46 HD3 ARG 46 -13.177 4.359 -8.694
332 HE ARG 46 HE ARG 46 -15.570 5.664 -7.849
333 HH11 ARG 46 HH11 ARG 46 -13.020 5.929 -10.267
334 HH12 ARG 46 HH12 ARG 46 -14.024 6.792 -11.383
335 HH21 ARG 46 HH21 ARG 46 -16.850 6.781 -9.308
336 HH22 ARG 46 HH22 ARG 46 -16.198 7.275 -10.841
337 H GLY 47 H GLY 47 -12.480 4.988 -3.102
338 HA2 GLY 47 HA2 GLY 47 -10.365 3.549 -1.623
339 HA3 GLY 47 HA3 GLY 47 -11.511 4.708 -0.954
340 H ASP 48 H ASP 48 -12.023 1.899 -3.053
341 HA ASP 48 HA ASP 48 -13.980 0.710 -1.189
342 HB2 ASP 48 HB2 ASP 48 -14.698 -0.660 -3.064
343 HB3 ASP 48 HB3 ASP 48 -14.554 0.994 -3.643
344 H VAL 49 H VAL 49 -13.796 -1.697 -0.847
345 HA VAL 49 HA VAL 49 -12.701 -3.400 0.174
346 HB VAL 49 HB VAL 49 -10.419 -3.006 -1.809
347 HG11 VAL 49 HG11 VAL 49 -10.107 -5.433 -1.616
348 HG12 VAL 49 HG12 VAL 49 -11.457 -5.531 -0.483
349 HG13 VAL 49 HG13 VAL 49 -9.990 -4.659 -0.033
350 HG21 VAL 49 HG21 VAL 49 -12.526 -3.007 -3.087
351 HG22 VAL 49 HG22 VAL 49 -12.996 -4.529 -2.329
352 HG23 VAL 49 HG23 VAL 49 -11.593 -4.473 -3.398
353 H GLU 50 H GLU 50 -12.610 -1.449 1.689
354 HA GLU 50 HA GLU 50 -10.285 0.040 2.194
355 HB2 GLU 50 HB2 GLU 50 -12.666 -0.554 3.986
356 HB3 GLU 50 HB3 GLU 50 -11.463 0.697 4.308
357 HG2 GLU 50 HG2 GLU 50 -12.118 1.954 2.366
358 HG3 GLU 50 HG3 GLU 50 -13.130 0.641 1.770
359 H GLU 51 H GLU 51 -11.199 -3.130 3.242
360 HA GLU 51 HA GLU 51 -9.482 -3.338 5.524
361 HB2 GLU 51 HB2 GLU 51 -10.780 -5.479 3.788
362 HB3 GLU 51 HB3 GLU 51 -9.995 -5.783 5.336
363 HG2 GLU 51 HG2 GLU 51 -11.665 -4.424 6.498
364 HG3 GLU 51 HG3 GLU 51 -12.415 -3.986 4.964
365 H SER 52 H SER 52 -8.897 -3.554 2.109
366 HA SER 52 HA SER 52 -6.410 -5.089 2.445
367 HB2 SER 52 HB2 SER 52 -7.980 -5.737 0.625
368 HB3 SER 52 HB3 SER 52 -7.767 -4.152 -0.115
369 HG SER 52 HG SER 52 -6.179 -6.358 -0.241
370 H MET 53 H MET 53 -7.258 -1.826 2.600
371 HA MET 53 HA MET 53 -4.895 -0.881 1.137
372 HB2 MET 53 HB2 MET 53 -5.641 1.403 1.502
373 HB3 MET 53 HB3 MET 53 -6.948 0.450 0.832
374 HG2 MET 53 HG2 MET 53 -8.020 0.350 3.025
375 HG3 MET 53 HG3 MET 53 -6.688 1.263 3.728
376 HE1 MET 53 HE1 MET 53 -9.580 3.068 0.585
377 HE2 MET 53 HE2 MET 53 -9.728 1.408 1.155
378 HE3 MET 53 HE3 MET 53 -8.353 1.881 0.152
379 H LEU 54 H LEU 54 -3.074 -0.458 2.048
380 HA LEU 54 HA LEU 54 -2.721 -0.464 4.966
381 HB2 LEU 54 HB2 LEU 54 -0.713 -0.648 2.677
382 HB3 LEU 54 HB3 LEU 54 -0.291 -0.699 4.381
383 HG LEU 54 HG LEU 54 -2.031 -2.777 2.989
384 HD11 LEU 54 HD11 LEU 54 0.229 -2.870 2.101
385 HD12 LEU 54 HD12 LEU 54 -0.094 -4.277 3.110
386 HD13 LEU 54 HD13 LEU 54 0.899 -2.953 3.733
387 HD21 LEU 54 HD21 LEU 54 -1.690 -4.126 5.006
388 HD22 LEU 54 HD22 LEU 54 -2.501 -2.607 5.383
389 HD23 LEU 54 HD23 LEU 54 -0.784 -2.806 5.752
390 H LEU 55 H LEU 55 -2.137 1.387 6.015
391 HA LEU 55 HA LEU 55 -2.142 3.921 4.500
392 HB2 LEU 55 HB2 LEU 55 -3.798 3.242 6.484
393 HB3 LEU 55 HB3 LEU 55 -2.462 3.672 7.521
394 HG LEU 55 HG LEU 55 -4.059 5.514 7.411
395 HD11 LEU 55 HD11 LEU 55 -2.674 7.386 6.708
396 HD12 LEU 55 HD12 LEU 55 -1.582 6.287 5.861
397 HD13 LEU 55 HD13 LEU 55 -1.737 6.205 7.618
398 HD21 LEU 55 HD21 LEU 55 -5.099 4.986 5.269
399 HD22 LEU 55 HD22 LEU 55 -3.652 5.524 4.414
400 HD23 LEU 55 HD23 LEU 55 -4.618 6.679 5.337
401 H CYS 56 H CYS 56 -0.300 5.140 4.463
402 HA CYS 56 HA CYS 56 2.152 4.192 5.689
403 HB2 CYS 56 HB2 CYS 56 2.268 5.108 3.447
404 HB3 CYS 56 HB3 CYS 56 1.548 6.629 3.982
405 H ASP 57 H ASP 57 2.670 4.684 7.727
406 HA ASP 57 HA ASP 57 1.308 6.476 9.426
407 HB2 ASP 57 HB2 ASP 57 4.097 5.276 9.806
408 HB3 ASP 57 HB3 ASP 57 3.101 5.974 11.080
409 H GLY 58 H GLY 58 4.315 6.820 7.588
410 HA2 GLY 58 HA2 GLY 58 4.783 9.557 8.510
411 HA3 GLY 58 HA3 GLY 58 5.828 8.599 7.477
412 H CYS 59 H CYS 59 2.451 8.757 6.669
413 HA CYS 59 HA CYS 59 2.606 11.149 5.025
414 HB2 CYS 59 HB2 CYS 59 2.068 8.424 3.774
415 HB3 CYS 59 HB3 CYS 59 1.752 9.951 2.973
416 H ASP 60 H ASP 60 0.197 10.918 3.704
417 HA ASP 60 HA ASP 60 -1.830 10.480 5.838
418 HB2 ASP 60 HB2 ASP 60 -1.946 12.456 3.505
419 HB3 ASP 60 HB3 ASP 60 -3.142 12.297 4.783
420 H ASP 61 H ASP 61 -0.646 9.066 3.121
421 HA ASP 61 HA ASP 61 -3.116 8.855 1.556
422 HB2 ASP 61 HB2 ASP 61 -0.644 9.400 0.654
423 HB3 ASP 61 HB3 ASP 61 -0.471 7.658 0.671
424 H SER 62 H SER 62 -3.897 6.831 0.777
425 HA SER 62 HA SER 62 -3.159 4.393 2.296
426 HB2 SER 62 HB2 SER 62 -5.558 3.674 1.942
427 HB3 SER 62 HB3 SER 62 -5.395 5.103 2.955
428 HG SER 62 HG SER 62 -5.655 5.733 0.312
429 H TYR 63 H TYR 63 -2.411 2.762 1.082
430 HA TYR 63 HA TYR 63 -3.043 2.596 -1.814
431 HB2 TYR 63 HB2 TYR 63 -0.400 2.029 -0.402
432 HB3 TYR 63 HB3 TYR 63 -0.726 1.554 -2.061
433 HD1 TYR 63 HD2 TYR 63 -0.838 3.241 -3.849
434 HD2 TYR 63 HD1 TYR 63 0.081 4.411 0.164
435 HE1 TYR 63 HE2 TYR 63 -0.018 5.403 -4.663
436 HE2 TYR 63 HE1 TYR 63 0.898 6.594 -0.660
437 HH TYR 63 HH TYR 63 1.790 7.546 -2.768
438 H HIS 64 H HIS 64 -4.096 0.722 -2.301
439 HA HIS 64 HA HIS 64 -4.422 -1.457 -0.482
440 HB2 HIS 64 HB2 HIS 64 -4.950 -1.317 -3.483
441 HB3 HIS 64 HB3 HIS 64 -5.374 -2.703 -2.477
442 HD2 HIS 64 HD2 HIS 64 -7.204 -2.011 -0.367
443 HE1 HIS 64 HE1 HIS 64 -8.938 1.032 -2.687
444 HE2 HIS 64 HE2 HIS 64 -9.276 -0.568 -0.768
445 H THR 65 H THR 65 -3.626 -3.571 -0.622
446 HA THR 65 HA THR 65 -0.892 -3.947 -1.139
447 HB THR 65 HB THR 65 -1.378 -6.408 -0.848
448 HG1 THR 65 HG1 THR 65 -4.091 -5.730 -0.398
449 HG21 THR 65 HG21 THR 65 -1.083 -4.994 1.163
450 HG22 THR 65 HG22 THR 65 -2.250 -6.288 1.453
451 HG23 THR 65 HG23 THR 65 -2.811 -4.637 1.167
452 H PHE 66 H PHE 66 -3.752 -4.741 -3.072
453 HA PHE 66 HA PHE 66 -2.291 -5.999 -5.205
454 HB2 PHE 66 HB2 PHE 66 -4.530 -6.164 -6.325
455 HB3 PHE 66 HB3 PHE 66 -4.450 -6.905 -4.735
456 HD1 PHE 66 HD2 PHE 66 -5.874 -4.061 -6.671
457 HD2 PHE 66 HD1 PHE 66 -5.825 -6.086 -2.895
458 HE1 PHE 66 HE2 PHE 66 -7.902 -2.851 -5.985
459 HE2 PHE 66 HE1 PHE 66 -7.865 -4.871 -2.231
460 HZ PHE 66 HZ PHE 66 -8.901 -3.257 -3.772
461 H CYS 67 H CYS 67 -3.595 -2.734 -4.656
462 HA CYS 67 HA CYS 67 -3.505 -1.780 -7.313
463 HB2 CYS 67 HB2 CYS 67 -3.293 -0.272 -4.685
464 HB3 CYS 67 HB3 CYS 67 -3.477 0.509 -6.265
465 H LEU 68 H LEU 68 -1.026 -2.145 -4.895
466 HA LEU 68 HA LEU 68 1.045 -0.720 -6.318
467 HB2 LEU 68 HB2 LEU 68 1.168 -2.740 -4.036
468 HB3 LEU 68 HB3 LEU 68 2.558 -1.838 -4.625
469 HG LEU 68 HG LEU 68 0.071 -0.513 -3.451
470 HD11 LEU 68 HD11 LEU 68 1.156 -1.877 -1.740
471 HD12 LEU 68 HD12 LEU 68 1.322 -0.158 -1.397
472 HD13 LEU 68 HD13 LEU 68 2.695 -1.064 -2.044
473 HD21 LEU 68 HD21 LEU 68 1.468 1.501 -3.291
474 HD22 LEU 68 HD22 LEU 68 1.339 0.948 -4.958
475 HD23 LEU 68 HD23 LEU 68 2.818 0.645 -4.047
476 H LEU 69 H LEU 69 2.493 -1.513 -7.795
477 HA LEU 69 HA LEU 69 2.484 -4.404 -8.467
478 HB2 LEU 69 HB2 LEU 69 2.689 -2.028 -10.368
479 HB3 LEU 69 HB3 LEU 69 3.211 -3.639 -10.815
480 HG LEU 69 HG LEU 69 0.779 -4.408 -10.307
481 HD11 LEU 69 HD11 LEU 69 0.016 -2.437 -9.086
482 HD12 LEU 69 HD12 LEU 69 -0.987 -2.739 -10.501
483 HD13 LEU 69 HD13 LEU 69 0.213 -1.445 -10.531
484 HD21 LEU 69 HD21 LEU 69 1.679 -4.295 -12.579
485 HD22 LEU 69 HD22 LEU 69 1.259 -2.584 -12.682
486 HD23 LEU 69 HD23 LEU 69 -0.014 -3.801 -12.549
487 HA PRO 70 HA PRO 70 3.754 -6.143 -8.519
488 HB2 PRO 70 HB2 PRO 70 5.401 -7.575 -6.861
489 HB3 PRO 70 HB3 PRO 70 5.841 -7.226 -8.546
490 HG2 PRO 70 HG2 PRO 70 6.711 -5.788 -6.055
491 HG3 PRO 70 HG3 PRO 70 7.696 -6.346 -7.426
492 HD2 PRO 70 HD2 PRO 70 6.886 -3.766 -7.221
493 HD3 PRO 70 HD3 PRO 70 7.052 -4.571 -8.798
494 HA PRO 71 HA PRO 71 1.242 -5.415 -4.895
495 HB2 PRO 71 HB2 PRO 71 0.013 -7.890 -4.595
496 HB3 PRO 71 HB3 PRO 71 -0.440 -6.711 -5.842
497 HG2 PRO 71 HG2 PRO 71 1.328 -9.118 -6.100
498 HG3 PRO 71 HG3 PRO 71 0.071 -8.523 -7.208
499 HD2 PRO 71 HD2 PRO 71 2.690 -8.074 -7.688
500 HD3 PRO 71 HD3 PRO 71 1.450 -6.877 -8.117
501 H LEU 72 H LEU 72 1.331 -5.583 -2.708
502 HA LEU 72 HA LEU 72 3.520 -6.954 -1.457
503 HB2 LEU 72 HB2 LEU 72 1.149 -5.566 -0.140
504 HB3 LEU 72 HB3 LEU 72 2.655 -6.023 0.649
505 HG LEU 72 HG LEU 72 2.341 -3.903 -1.516
506 HD11 LEU 72 HD11 LEU 72 2.896 -2.295 0.255
507 HD12 LEU 72 HD12 LEU 72 2.918 -3.598 1.448
508 HD13 LEU 72 HD13 LEU 72 1.415 -3.176 0.620
509 HD21 LEU 72 HD21 LEU 72 4.700 -3.346 -1.098
510 HD22 LEU 72 HD22 LEU 72 4.520 -4.985 -1.712
511 HD23 LEU 72 HD23 LEU 72 4.840 -4.721 0.003
512 H THR 73 H THR 73 3.016 -9.108 -2.145
513 HA THR 73 HA THR 73 0.612 -10.479 -1.406
514 HB THR 73 HB THR 73 1.785 -12.532 -2.154
515 HG1 THR 73 HG1 THR 73 3.967 -12.340 -2.895
516 HG21 THR 73 HG21 THR 73 2.300 -10.180 -4.031
517 HG22 THR 73 HG22 THR 73 0.781 -11.068 -3.890
518 HG23 THR 73 HG23 THR 73 2.222 -11.878 -4.502
519 H SER 74 H SER 74 3.854 -10.095 -0.014
520 HA SER 74 HA SER 74 2.945 -11.209 2.528
521 HB2 SER 74 HB2 SER 74 5.287 -10.626 3.244
522 HB3 SER 74 HB3 SER 74 5.198 -11.765 1.910
523 HG SER 74 HG SER 74 5.856 -9.021 1.836
524 H ILE 75 H ILE 75 1.669 -9.921 3.568
525 HA ILE 75 HA ILE 75 1.719 -7.016 3.462
526 HB ILE 75 HB ILE 75 -0.026 -8.910 5.106
527 HG12 ILE 75 HG12 ILE 75 -0.639 -7.549 2.444
528 HG13 ILE 75 HG13 ILE 75 -0.217 -9.248 2.632
529 HG21 ILE 75 HG21 ILE 75 0.005 -6.631 6.074
530 HG22 ILE 75 HG22 ILE 75 -1.576 -7.003 5.386
531 HG23 ILE 75 HG23 ILE 75 -0.460 -5.955 4.510
532 HD11 ILE 75 HD11 ILE 75 -2.588 -8.988 2.337
533 HD12 ILE 75 HD12 ILE 75 -2.684 -7.889 3.714
534 HD13 ILE 75 HD13 ILE 75 -2.254 -9.585 3.961
535 HA PRO 76 HA PRO 76 4.701 -7.057 6.798
536 HB2 PRO 76 HB2 PRO 76 5.122 -4.402 7.124
537 HB3 PRO 76 HB3 PRO 76 5.555 -5.224 5.611
538 HG2 PRO 76 HG2 PRO 76 3.158 -3.530 6.208
539 HG3 PRO 76 HG3 PRO 76 4.171 -3.566 4.748
540 HD2 PRO 76 HD2 PRO 76 1.732 -4.882 4.996
541 HD3 PRO 76 HD3 PRO 76 2.993 -5.329 3.833
542 H LYS 77 H LYS 77 2.821 -8.001 8.124
543 HA LYS 77 HA LYS 77 2.018 -8.375 10.161
544 HB2 LYS 77 HB2 LYS 77 3.492 -5.858 10.974
545 HB3 LYS 77 HB3 LYS 77 2.685 -6.919 12.121
546 HG2 LYS 77 HG2 LYS 77 4.163 -8.786 11.427
547 HG3 LYS 77 HG3 LYS 77 4.977 -7.718 10.291
548 HD2 LYS 77 HD2 LYS 77 4.941 -7.249 13.297
549 HD3 LYS 77 HD3 LYS 77 6.200 -8.164 12.473
550 HE2 LYS 77 HE2 LYS 77 7.088 -5.986 12.772
551 HE3 LYS 77 HE3 LYS 77 6.634 -6.067 11.074
552 HZ1 LYS 77 HZ1 LYS 77 4.658 -4.785 11.564
553 HZ2 LYS 77 HZ2 LYS 77 6.014 -3.963 12.142
554 HZ3 LYS 77 HZ3 LYS 77 5.009 -4.792 13.215
555 H GLY 78 H GLY 78 1.359 -5.120 8.983
556 HA2 GLY 78 HA2 GLY 78 -1.337 -5.175 8.890
557 HA3 GLY 78 HA3 GLY 78 -1.027 -4.719 10.567
558 H GLU 79 H GLU 79 1.185 -3.173 10.361
559 HA GLU 79 HA GLU 79 0.213 -0.756 8.973
560 HB2 GLU 79 HB2 GLU 79 2.217 0.250 10.499
561 HB3 GLU 79 HB3 GLU 79 0.583 0.033 11.094
562 HG2 GLU 79 HG2 GLU 79 2.248 -0.683 12.743
563 HG3 GLU 79 HG3 GLU 79 1.219 -2.018 12.238
564 H TRP 80 H TRP 80 1.544 0.458 7.597
565 HA TRP 80 HA TRP 80 3.982 -0.810 6.530
566 HB2 TRP 80 HB2 TRP 80 2.204 -1.803 5.242
567 HB3 TRP 80 HB3 TRP 80 1.372 -0.268 5.069
568 HD1 TRP 80 HD1 TRP 80 4.602 -2.019 3.728
569 HE1 TRP 80 HE1 TRP 80 5.026 -1.107 1.358
570 HE3 TRP 80 HE3 TRP 80 0.947 1.545 3.577
571 HZ2 TRP 80 HZ2 TRP 80 3.947 0.852 -0.352
572 HZ3 TRP 80 HZ3 TRP 80 0.702 2.911 1.527
573 HH2 TRP 80 HH2 TRP 80 2.182 2.569 -0.395
574 H LEU 81 H LEU 81 5.439 0.642 5.712
575 HA LEU 81 HA LEU 81 4.711 3.506 5.575
576 HB2 LEU 81 HB2 LEU 81 7.448 2.166 5.616
577 HB3 LEU 81 HB3 LEU 81 7.193 3.898 5.453
578 HG LEU 81 HG LEU 81 6.567 2.185 7.889
579 HD11 LEU 81 HD11 LEU 81 8.244 3.566 9.017
580 HD12 LEU 81 HD12 LEU 81 8.544 4.457 7.523
581 HD13 LEU 81 HD13 LEU 81 8.937 2.738 7.625
582 HD21 LEU 81 HD21 LEU 81 5.971 5.136 7.491
583 HD22 LEU 81 HD22 LEU 81 5.814 4.242 9.005
584 HD23 LEU 81 HD23 LEU 81 4.783 3.835 7.638
585 H CYS 82 H CYS 82 4.713 4.565 3.680
586 HA CYS 82 HA CYS 82 4.597 3.205 1.205
587 HB2 CYS 82 HB2 CYS 82 4.352 5.465 0.227
588 HB3 CYS 82 HB3 CYS 82 3.349 5.297 1.667
589 HA PRO 83 HA PRO 83 8.873 2.954 -0.297
590 HB2 PRO 83 HB2 PRO 83 7.745 4.264 -2.788
591 HB3 PRO 83 HB3 PRO 83 8.787 2.830 -2.639
592 HG2 PRO 83 HG2 PRO 83 6.182 2.534 -3.115
593 HG3 PRO 83 HG3 PRO 83 7.032 1.429 -2.013
594 HD2 PRO 83 HD2 PRO 83 5.130 3.643 -1.357
595 HD3 PRO 83 HD3 PRO 83 5.409 2.103 -0.517
596 H ARG 84 H ARG 84 7.049 5.939 -0.769
597 HA ARG 84 HA ARG 84 9.040 7.788 -1.379
598 HB2 ARG 84 HB2 ARG 84 6.509 8.141 -1.434
599 HB3 ARG 84 HB3 ARG 84 6.559 8.334 0.311
600 HG2 ARG 84 HG2 ARG 84 6.494 10.530 -0.624
601 HG3 ARG 84 HG3 ARG 84 8.149 10.291 -0.054
602 HD2 ARG 84 HD2 ARG 84 8.161 11.359 -2.251
603 HD3 ARG 84 HD3 ARG 84 8.838 9.730 -2.376
604 HE ARG 84 HE ARG 84 5.986 10.050 -2.957
605 HH11 ARG 84 HH11 ARG 84 9.214 9.670 -4.338
606 HH12 ARG 84 HH12 ARG 84 8.611 9.185 -5.889
607 HH21 ARG 84 HH21 ARG 84 5.226 9.392 -4.988
608 HH22 ARG 84 HH22 ARG 84 6.347 9.021 -6.258
609 H CYS 85 H CYS 85 7.740 6.854 1.826
610 HA CYS 85 HA CYS 85 9.316 8.618 3.410
611 HB2 CYS 85 HB2 CYS 85 7.938 5.999 4.165
612 HB3 CYS 85 HB3 CYS 85 8.560 7.195 5.326
613 H VAL 86 H VAL 86 9.772 5.378 2.251
614 HA VAL 86 HA VAL 86 12.045 4.654 3.813
615 HB VAL 86 HB VAL 86 11.060 3.382 1.217
616 HG11 VAL 86 HG11 VAL 86 12.711 2.165 3.469
617 HG12 VAL 86 HG12 VAL 86 13.310 2.586 1.866
618 HG13 VAL 86 HG13 VAL 86 12.116 1.301 2.051
619 HG21 VAL 86 HG21 VAL 86 10.205 2.767 4.069
620 HG22 VAL 86 HG22 VAL 86 9.710 1.865 2.636
621 HG23 VAL 86 HG23 VAL 86 9.214 3.547 2.834
622 H VAL 87 H VAL 87 11.635 6.349 0.727
623 HA VAL 87 HA VAL 87 14.167 6.118 -0.441
624 HB VAL 87 HB VAL 87 12.323 8.555 -0.418
625 HG11 VAL 87 HG11 VAL 87 14.601 9.279 -1.040
626 HG12 VAL 87 HG12 VAL 87 13.510 9.374 -2.422
627 HG13 VAL 87 HG13 VAL 87 14.661 8.042 -2.298
628 HG21 VAL 87 HG21 VAL 87 11.268 6.590 -1.417
629 HG22 VAL 87 HG22 VAL 87 12.643 6.366 -2.495
630 HG23 VAL 87 HG23 VAL 87 11.612 7.788 -2.663
631 H GLU 88 H GLU 88 13.045 8.523 1.920
632 HA GLU 88 HA GLU 88 15.711 9.618 2.347
633 HB2 GLU 88 HB2 GLU 88 13.090 10.228 3.784
634 HB3 GLU 88 HB3 GLU 88 14.591 11.137 3.945
635 HG2 GLU 88 HG2 GLU 88 14.464 11.750 1.536
636 HG3 GLU 88 HG3 GLU 88 12.926 10.893 1.419
637 H GLU 89 H GLU 89 16.533 9.830 4.602
638 HA GLU 89 HA GLU 89 16.869 7.236 5.775
639 HB2 GLU 89 HB2 GLU 89 18.714 8.890 5.619
640 HB3 GLU 89 HB3 GLU 89 17.837 9.977 6.688
641 HG2 GLU 89 HG2 GLU 89 17.982 8.185 8.480
642 HG3 GLU 89 HG3 GLU 89 19.052 7.287 7.409
643 H VAL 90 H VAL 90 15.250 6.394 7.013
644 HA VAL 90 HA VAL 90 13.532 7.884 8.795
645 HB VAL 90 HB VAL 90 12.845 5.754 7.633
646 HG11 VAL 90 HG11 VAL 90 14.933 4.484 7.855
647 HG12 VAL 90 HG12 VAL 90 13.573 3.567 8.500
648 HG13 VAL 90 HG13 VAL 90 14.695 4.366 9.602
649 HG21 VAL 90 HG21 VAL 90 12.618 5.644 10.661
650 HG22 VAL 90 HG22 VAL 90 11.590 4.769 9.522
651 HG23 VAL 90 HG23 VAL 90 11.556 6.534 9.568
652 H SER 91 H SER 91 16.672 6.579 8.952
653 HA SER 91 HA SER 91 18.359 6.705 10.397
654 HB2 SER 91 HB2 SER 91 16.477 8.025 12.376
655 HB3 SER 91 HB3 SER 91 18.235 7.943 12.515
656 HG SER 91 HG SER 91 18.132 9.018 10.313
657 H LYS 92 H LYS 92 17.970 4.369 10.163
658 HA LYS 92 HA LYS 92 17.515 3.032 12.741
659 HB2 LYS 92 HB2 LYS 92 18.207 1.862 10.004
660 HB3 LYS 92 HB3 LYS 92 17.927 0.919 11.463
661 HG2 LYS 92 HG2 LYS 92 15.888 2.633 10.006
662 HG3 LYS 92 HG3 LYS 92 15.928 0.871 10.076
663 HD2 LYS 92 HD2 LYS 92 15.443 0.916 12.480
664 HD3 LYS 92 HD3 LYS 92 15.539 2.679 12.493
665 HE2 LYS 92 HE2 LYS 92 13.209 1.992 12.510
666 HE3 LYS 92 HE3 LYS 92 13.574 2.776 10.975
667 HZ1 LYS 92 HZ1 LYS 92 13.431 -0.160 11.414
668 HZ2 LYS 92 HZ2 LYS 92 13.715 0.612 9.934
669 HZ3 LYS 92 HZ3 LYS 92 12.223 0.783 10.712
670 HA PRO 93 HA PRO 93 21.850 4.071 13.451
671 HB2 PRO 93 HB2 PRO 93 21.622 2.498 15.973
672 HB3 PRO 93 HB3 PRO 93 21.908 4.236 15.757
673 HG2 PRO 93 HG2 PRO 93 19.563 3.337 16.696
674 HG3 PRO 93 HG3 PRO 93 19.637 4.744 15.609
675 HD2 PRO 93 HD2 PRO 93 18.969 1.876 14.924
676 HD3 PRO 93 HD3 PRO 93 18.125 3.366 14.446
677 H GLN 94 H GLN 94 22.586 2.753 11.722
678 HA GLN 94 HA GLN 94 24.642 0.970 12.475
679 HB2 GLN 94 HB2 GLN 94 22.822 -0.718 12.565
680 HB3 GLN 94 HB3 GLN 94 22.318 -0.285 10.936
681 HG2 GLN 94 HG2 GLN 94 23.590 -2.408 10.983
682 HG3 GLN 94 HG3 GLN 94 24.393 -1.183 10.005
683 HE21 GLN 94 HE21 GLN 94 26.384 -0.331 10.726
684 HE22 GLN 94 HE22 GLN 94 27.299 -1.081 11.985
Start of MODEL 11
1 H1 SER 1 H1 SER 1 42.959 35.404 72.517
2 H2 SER 1 H2 SER 1 43.391 36.653 71.472
3 H3 SER 1 H3 SER 1 43.671 35.053 71.024
4 HA SER 1 HA SER 1 41.321 34.612 70.961
5 HB2 SER 1 HB2 SER 1 41.064 37.575 71.641
6 HB3 SER 1 HB3 SER 1 39.718 36.505 71.234
7 HG SER 1 HG SER 1 39.693 35.908 73.235
8 H HIS 2 H HIS 2 39.871 35.391 69.138
9 HA HIS 2 HA HIS 2 41.443 35.839 66.774
10 HB2 HIS 2 HB2 HIS 2 38.414 35.650 67.123
11 HB3 HIS 2 HB3 HIS 2 39.250 35.664 65.575
12 HD2 HIS 2 HD2 HIS 2 41.159 33.346 65.419
13 HE1 HIS 2 HE1 HIS 2 38.406 30.984 67.595
14 HE2 HIS 2 HE2 HIS 2 40.519 30.962 66.204
15 H MET 3 H MET 3 42.353 37.900 67.067
16 HA MET 3 HA MET 3 40.651 40.264 67.246
17 HB2 MET 3 HB2 MET 3 42.840 40.218 68.400
18 HB3 MET 3 HB3 MET 3 43.668 40.030 66.864
19 HG2 MET 3 HG2 MET 3 43.884 42.311 67.617
20 HG3 MET 3 HG3 MET 3 42.848 42.293 66.194
21 HE1 MET 3 HE1 MET 3 40.695 43.722 66.139
22 HE2 MET 3 HE2 MET 3 39.523 43.711 67.457
23 HE3 MET 3 HE3 MET 3 39.953 42.204 66.651
24 H SER 4 H SER 4 39.405 39.912 65.392
25 HA SER 4 HA SER 4 40.525 39.862 62.741
26 HB2 SER 4 HB2 SER 4 37.661 40.389 63.658
27 HB3 SER 4 HB3 SER 4 38.165 40.020 62.009
28 HG SER 4 HG SER 4 39.159 38.097 63.455
29 H GLY 5 H GLY 5 41.853 41.671 62.594
30 HA2 GLY 5 HA2 GLY 5 40.916 44.376 63.142
31 HA3 GLY 5 HA3 GLY 5 42.494 43.899 62.533
32 H GLY 6 H GLY 6 39.094 43.706 61.453
33 HA2 GLY 6 HA2 GLY 6 39.833 44.860 58.822
34 HA3 GLY 6 HA3 GLY 6 38.928 43.348 58.908
35 H SER 7 H SER 7 38.452 46.432 58.244
36 HA SER 7 HA SER 7 36.352 47.274 59.977
37 HB2 SER 7 HB2 SER 7 37.026 48.255 57.164
38 HB3 SER 7 HB3 SER 7 36.060 49.118 58.369
39 HG SER 7 HG SER 7 37.956 49.066 59.722
40 HA PRO 8 HA PRO 8 33.033 44.817 58.075
41 HB2 PRO 8 HB2 PRO 8 31.090 46.555 59.522
42 HB3 PRO 8 HB3 PRO 8 31.433 44.829 59.754
43 HG2 PRO 8 HG2 PRO 8 32.143 46.672 61.592
44 HG3 PRO 8 HG3 PRO 8 33.132 45.221 61.289
45 HD2 PRO 8 HD2 PRO 8 33.542 48.033 60.256
46 HD3 PRO 8 HD3 PRO 8 34.734 46.911 60.954
47 H LEU 9 H LEU 9 32.456 45.129 56.019
48 HA LEU 9 HA LEU 9 30.720 47.297 55.209
49 HB2 LEU 9 HB2 LEU 9 32.164 47.961 53.252
50 HB3 LEU 9 HB3 LEU 9 32.771 48.449 54.817
51 HG LEU 9 HG LEU 9 34.386 46.409 54.659
52 HD11 LEU 9 HD11 LEU 9 33.352 45.190 52.817
53 HD12 LEU 9 HD12 LEU 9 34.992 45.662 52.387
54 HD13 LEU 9 HD13 LEU 9 33.617 46.550 51.728
55 HD21 LEU 9 HD21 LEU 9 36.040 47.678 53.343
56 HD22 LEU 9 HD22 LEU 9 35.158 48.727 54.449
57 HD23 LEU 9 HD23 LEU 9 34.757 48.729 52.732
58 H ALA 10 H ALA 10 29.968 46.980 52.936
59 HA ALA 10 HA ALA 10 30.409 44.510 51.562
60 HB1 ALA 10 HB1 ALA 10 28.879 43.646 53.316
61 HB2 ALA 10 HB2 ALA 10 28.124 43.587 51.725
62 HB3 ALA 10 HB3 ALA 10 27.672 44.855 52.867
63 H THR 11 H THR 11 30.777 45.733 49.761
64 HA THR 11 HA THR 11 29.030 47.843 48.876
65 HB THR 11 HB THR 11 31.313 46.456 47.374
66 HG1 THR 11 HG1 THR 11 31.200 48.635 49.182
67 HG21 THR 11 HG21 THR 11 31.422 48.542 46.044
68 HG22 THR 11 HG22 THR 11 30.003 49.161 46.896
69 HG23 THR 11 HG23 THR 11 29.856 47.748 45.848
70 H GLY 12 H GLY 12 27.007 46.907 48.655
71 HA2 GLY 12 HA2 GLY 12 26.393 44.630 47.037
72 HA3 GLY 12 HA3 GLY 12 25.261 45.853 47.607
73 H THR 13 H THR 13 27.055 44.710 44.954
74 HA THR 13 HA THR 13 26.186 46.912 43.217
75 HB THR 13 HB THR 13 28.463 47.538 43.865
76 HG1 THR 13 HG1 THR 13 28.078 48.045 41.770
77 HG21 THR 13 HG21 THR 13 29.386 44.822 42.845
78 HG22 THR 13 HG22 THR 13 29.391 45.350 44.531
79 HG23 THR 13 HG23 THR 13 30.439 46.142 43.352
80 H THR 14 H THR 14 25.535 46.227 41.242
81 HA THR 14 HA THR 14 26.367 43.822 39.957
82 HB THR 14 HB THR 14 24.877 42.713 41.545
83 HG1 THR 14 HG1 THR 14 23.649 41.619 40.096
84 HG21 THR 14 HG21 THR 14 22.472 43.197 41.746
85 HG22 THR 14 HG22 THR 14 22.632 44.544 40.619
86 HG23 THR 14 HG23 THR 14 23.430 44.623 42.190
87 H ALA 15 H ALA 15 26.324 44.339 37.848
88 HA ALA 15 HA ALA 15 24.676 46.578 36.879
89 HB1 ALA 15 HB1 ALA 15 26.941 45.088 35.487
90 HB2 ALA 15 HB2 ALA 15 27.102 46.615 36.361
91 HB3 ALA 15 HB3 ALA 15 26.125 46.540 34.893
92 H ASN 16 H ASN 16 22.666 45.552 36.833
93 HA ASN 16 HA ASN 16 22.216 43.561 34.674
94 HB2 ASN 16 HB2 ASN 16 20.816 43.760 37.386
95 HB3 ASN 16 HB3 ASN 16 20.209 42.776 36.058
96 HD21 ASN 16 HD21 ASN 16 20.999 41.935 38.718
97 HD22 ASN 16 HD22 ASN 16 22.251 40.770 38.501
98 H THR 17 H THR 17 20.676 44.092 33.244
99 HA THR 17 HA THR 17 18.936 46.442 33.698
100 HB THR 17 HB THR 17 20.279 46.350 31.544
101 HG1 THR 17 HG1 THR 17 18.506 47.624 31.444
102 HG21 THR 17 HG21 THR 17 19.552 44.835 29.725
103 HG22 THR 17 HG22 THR 17 18.424 44.037 30.821
104 HG23 THR 17 HG23 THR 17 20.158 43.903 31.103
105 H ARG 18 H ARG 18 16.614 46.179 33.210
106 HA ARG 18 HA ARG 18 15.642 43.492 33.963
107 HB2 ARG 18 HB2 ARG 18 14.137 46.145 34.016
108 HB3 ARG 18 HB3 ARG 18 13.529 44.598 34.594
109 HG2 ARG 18 HG2 ARG 18 15.727 46.301 35.804
110 HG3 ARG 18 HG3 ARG 18 14.174 45.868 36.516
111 HD2 ARG 18 HD2 ARG 18 16.549 44.044 36.032
112 HD3 ARG 18 HD3 ARG 18 15.915 44.589 37.587
113 HE ARG 18 HE ARG 18 13.919 43.180 36.129
114 HH11 ARG 18 HH11 ARG 18 16.813 42.593 38.067
115 HH12 ARG 18 HH12 ARG 18 16.315 41.000 38.538
116 HH21 ARG 18 HH21 ARG 18 13.297 41.087 36.723
117 HH22 ARG 18 HH22 ARG 18 14.313 40.143 37.767
118 H GLY 19 H GLY 19 15.000 42.238 32.389
119 HA2 GLY 19 HA2 GLY 19 13.119 42.982 30.383
120 HA3 GLY 19 HA3 GLY 19 14.738 42.840 29.700
121 H ALA 20 H ALA 20 11.976 41.173 30.054
122 HA ALA 20 HA ALA 20 13.203 38.605 29.510
123 HB1 ALA 20 HB1 ALA 20 13.228 38.583 31.977
124 HB2 ALA 20 HB2 ALA 20 12.097 37.381 31.358
125 HB3 ALA 20 HB3 ALA 20 11.493 38.904 32.020
126 H SER 21 H SER 21 11.272 40.646 28.348
127 HA SER 21 HA SER 21 8.627 39.607 28.309
128 HB2 SER 21 HB2 SER 21 9.995 41.471 26.319
129 HB3 SER 21 HB3 SER 21 8.253 41.217 26.446
130 HG SER 21 HG SER 21 9.467 43.059 27.644
131 H GLN 22 H GLN 22 11.372 38.369 26.835
132 HA GLN 22 HA GLN 22 10.079 37.131 24.537
133 HB2 GLN 22 HB2 GLN 22 12.445 36.079 24.271
134 HB3 GLN 22 HB3 GLN 22 12.264 37.806 24.022
135 HG2 GLN 22 HG2 GLN 22 14.286 37.472 25.221
136 HG3 GLN 22 HG3 GLN 22 13.132 38.199 26.324
137 HE21 GLN 22 HE21 GLN 22 12.332 36.932 28.058
138 HE22 GLN 22 HE22 GLN 22 13.152 35.512 28.585
139 H LYS 23 H LYS 23 9.560 36.426 27.573
140 HA LYS 23 HA LYS 23 10.306 33.909 28.324
141 HB2 LYS 23 HB2 LYS 23 7.796 35.520 28.783
142 HB3 LYS 23 HB3 LYS 23 7.841 33.877 29.387
143 HG2 LYS 23 HG2 LYS 23 10.129 35.644 30.169
144 HG3 LYS 23 HG3 LYS 23 8.555 36.027 30.859
145 HD2 LYS 23 HD2 LYS 23 9.837 34.579 32.367
146 HD3 LYS 23 HD3 LYS 23 8.383 33.760 31.799
147 HE2 LYS 23 HE2 LYS 23 9.728 32.469 30.196
148 HE3 LYS 23 HE3 LYS 23 11.186 33.317 30.718
149 HZ1 LYS 23 HZ1 LYS 23 10.962 31.131 31.761
150 HZ2 LYS 23 HZ2 LYS 23 9.497 31.600 32.462
151 HZ3 LYS 23 HZ3 LYS 23 10.934 32.363 32.910
152 H LYS 24 H LYS 24 7.080 34.424 26.803
153 HA LYS 24 HA LYS 24 6.852 31.520 26.438
154 HB2 LYS 24 HB2 LYS 24 4.431 31.986 26.101
155 HB3 LYS 24 HB3 LYS 24 5.040 32.602 27.630
156 HG2 LYS 24 HG2 LYS 24 5.117 34.889 26.667
157 HG3 LYS 24 HG3 LYS 24 4.463 34.260 25.152
158 HD2 LYS 24 HD2 LYS 24 2.389 33.600 26.284
159 HD3 LYS 24 HD3 LYS 24 3.051 34.094 27.845
160 HE2 LYS 24 HE2 LYS 24 1.520 35.801 27.039
161 HE3 LYS 24 HE3 LYS 24 3.161 36.446 27.019
162 HZ1 LYS 24 HZ1 LYS 24 1.893 37.009 25.018
163 HZ2 LYS 24 HZ2 LYS 24 1.730 35.369 24.646
164 HZ3 LYS 24 HZ3 LYS 24 3.259 36.084 24.653
165 H GLY 25 H GLY 25 5.566 30.776 24.483
166 HA2 GLY 25 HA2 GLY 25 5.910 32.303 22.022
167 HA3 GLY 25 HA3 GLY 25 6.842 30.808 22.133
168 H GLY 26 H GLY 26 4.531 31.662 20.418
169 HA2 GLY 26 HA2 GLY 26 2.190 30.198 21.252
170 HA3 GLY 26 HA3 GLY 26 2.451 30.994 19.705
171 H GLU 27 H GLU 27 3.042 28.083 21.560
172 HA GLU 27 HA GLU 27 4.085 26.530 19.325
173 HB2 GLU 27 HB2 GLU 27 3.382 25.696 22.179
174 HB3 GLU 27 HB3 GLU 27 4.196 24.673 20.994
175 HG2 GLU 27 HG2 GLU 27 6.091 26.286 20.934
176 HG3 GLU 27 HG3 GLU 27 5.268 27.265 22.149
177 HA PRO 28 HA PRO 28 -0.307 25.606 18.363
178 HB2 PRO 28 HB2 PRO 28 -0.013 25.009 15.741
179 HB3 PRO 28 HB3 PRO 28 0.233 26.669 16.323
180 HG2 PRO 28 HG2 PRO 28 2.290 24.595 15.636
181 HG3 PRO 28 HG3 PRO 28 2.272 26.332 15.255
182 HD2 PRO 28 HD2 PRO 28 3.664 25.204 17.388
183 HD3 PRO 28 HD3 PRO 28 3.179 26.910 17.292
184 HA PRO 29 HA PRO 29 -0.343 21.053 18.724
185 HB2 PRO 29 HB2 PRO 29 -3.127 21.054 17.656
186 HB3 PRO 29 HB3 PRO 29 -2.549 20.630 19.280
187 HG2 PRO 29 HG2 PRO 29 -3.973 22.872 18.845
188 HG3 PRO 29 HG3 PRO 29 -2.674 22.812 20.060
189 HD2 PRO 29 HD2 PRO 29 -2.566 23.915 17.244
190 HD3 PRO 29 HD3 PRO 29 -1.979 24.644 18.760
191 H ALA 30 H ALA 30 0.234 19.398 17.375
192 HA ALA 30 HA ALA 30 0.440 19.795 14.531
193 HB1 ALA 30 HB1 ALA 30 1.017 17.319 16.202
194 HB2 ALA 30 HB2 ALA 30 2.181 18.570 15.753
195 HB3 ALA 30 HB3 ALA 30 1.462 17.547 14.508
196 H LEU 31 H LEU 31 -1.488 19.835 13.478
197 HA LEU 31 HA LEU 31 -3.554 17.774 14.008
198 HB2 LEU 31 HB2 LEU 31 -3.814 20.453 12.574
199 HB3 LEU 31 HB3 LEU 31 -5.133 19.351 12.947
200 HG LEU 31 HG LEU 31 -3.456 20.887 14.975
201 HD11 LEU 31 HD11 LEU 31 -5.524 22.114 15.454
202 HD12 LEU 31 HD12 LEU 31 -6.353 21.241 14.162
203 HD13 LEU 31 HD13 LEU 31 -5.014 22.326 13.780
204 HD21 LEU 31 HD21 LEU 31 -5.011 20.013 16.681
205 HD22 LEU 31 HD22 LEU 31 -4.089 18.728 15.909
206 HD23 LEU 31 HD23 LEU 31 -5.775 18.989 15.461
207 H ILE 32 H ILE 32 -4.784 16.990 12.124
208 HA ILE 32 HA ILE 32 -3.109 16.273 9.854
209 HB ILE 32 HB ILE 32 -5.153 14.959 9.094
210 HG12 ILE 32 HG12 ILE 32 -6.325 16.018 11.713
211 HG13 ILE 32 HG13 ILE 32 -6.956 16.261 10.091
212 HG21 ILE 32 HG21 ILE 32 -4.933 13.197 10.803
213 HG22 ILE 32 HG22 ILE 32 -4.169 14.348 11.902
214 HG23 ILE 32 HG23 ILE 32 -3.364 13.899 10.398
215 HD11 ILE 32 HD11 ILE 32 -6.933 13.674 11.642
216 HD12 ILE 32 HD12 ILE 32 -7.465 13.845 9.966
217 HD13 ILE 32 HD13 ILE 32 -8.325 14.686 11.255
218 H VAL 33 H VAL 33 -3.383 16.924 7.734
219 HA VAL 33 HA VAL 33 -4.721 19.437 7.246
220 HB VAL 33 HB VAL 33 -3.859 19.227 4.892
221 HG11 VAL 33 HG11 VAL 33 -1.762 18.822 7.057
222 HG12 VAL 33 HG12 VAL 33 -2.518 20.355 6.613
223 HG13 VAL 33 HG13 VAL 33 -1.483 19.519 5.457
224 HG21 VAL 33 HG21 VAL 33 -2.276 17.419 4.324
225 HG22 VAL 33 HG22 VAL 33 -3.879 16.773 4.670
226 HG23 VAL 33 HG23 VAL 33 -2.598 16.636 5.875
227 H ASP 34 H ASP 34 -5.487 16.076 6.682
228 HA ASP 34 HA ASP 34 -7.997 16.870 5.322
229 HB2 ASP 34 HB2 ASP 34 -8.162 14.630 4.402
230 HB3 ASP 34 HB3 ASP 34 -6.599 15.308 3.993
231 HA PRO 35 HA PRO 35 -9.421 16.127 9.608
232 HB2 PRO 35 HB2 PRO 35 -11.929 17.275 9.287
233 HB3 PRO 35 HB3 PRO 35 -10.443 18.207 9.566
234 HG2 PRO 35 HG2 PRO 35 -11.839 17.638 6.968
235 HG3 PRO 35 HG3 PRO 35 -11.150 19.164 7.567
236 HD2 PRO 35 HD2 PRO 35 -9.816 17.635 5.791
237 HD3 PRO 35 HD3 PRO 35 -8.961 18.541 7.061
238 H LEU 36 H LEU 36 -11.026 15.035 6.666
239 HA LEU 36 HA LEU 36 -12.963 13.366 8.045
240 HB2 LEU 36 HB2 LEU 36 -12.285 13.649 5.092
241 HB3 LEU 36 HB3 LEU 36 -13.478 12.514 5.690
242 HG LEU 36 HG LEU 36 -14.720 14.368 4.888
243 HD11 LEU 36 HD11 LEU 36 -14.582 14.739 7.887
244 HD12 LEU 36 HD12 LEU 36 -15.533 13.523 7.032
245 HD13 LEU 36 HD13 LEU 36 -15.900 15.233 6.821
246 HD21 LEU 36 HD21 LEU 36 -12.940 16.027 4.691
247 HD22 LEU 36 HD22 LEU 36 -12.924 16.256 6.441
248 HD23 LEU 36 HD23 LEU 36 -14.346 16.721 5.500
249 H MET 37 H MET 37 -9.693 13.012 7.213
250 HA MET 37 HA MET 37 -8.205 11.336 7.059
251 HB2 MET 37 HB2 MET 37 -10.167 9.843 8.849
252 HB3 MET 37 HB3 MET 37 -8.497 9.373 8.559
253 HG2 MET 37 HG2 MET 37 -7.808 11.600 9.555
254 HG3 MET 37 HG3 MET 37 -9.491 11.823 10.029
255 HE1 MET 37 HE1 MET 37 -6.238 9.670 10.496
256 HE2 MET 37 HE2 MET 37 -7.394 8.462 9.933
257 HE3 MET 37 HE3 MET 37 -6.798 8.410 11.594
258 H LYS 38 H LYS 38 -8.819 11.291 4.781
259 HA LYS 38 HA LYS 38 -10.625 9.173 3.907
260 HB2 LYS 38 HB2 LYS 38 -9.156 11.340 2.361
261 HB3 LYS 38 HB3 LYS 38 -10.217 10.149 1.614
262 HG2 LYS 38 HG2 LYS 38 -11.018 12.262 3.644
263 HG3 LYS 38 HG3 LYS 38 -11.394 12.262 1.919
264 HD2 LYS 38 HD2 LYS 38 -12.395 10.242 3.965
265 HD3 LYS 38 HD3 LYS 38 -13.334 11.563 3.273
266 HE2 LYS 38 HE2 LYS 38 -13.268 10.550 1.078
267 HE3 LYS 38 HE3 LYS 38 -12.131 9.315 1.622
268 HZ1 LYS 38 HZ1 LYS 38 -14.401 8.474 1.480
269 HZ2 LYS 38 HZ2 LYS 38 -14.915 9.620 2.609
270 HZ3 LYS 38 HZ3 LYS 38 -13.828 8.417 3.070
271 H TYR 39 H TYR 39 -9.739 7.208 4.039
272 HA TYR 39 HA TYR 39 -7.091 6.564 3.081
273 HB2 TYR 39 HB2 TYR 39 -9.426 4.708 3.761
274 HB3 TYR 39 HB3 TYR 39 -7.756 4.208 3.493
275 HD1 TYR 39 HD2 TYR 39 -5.983 4.842 5.167
276 HD2 TYR 39 HD1 TYR 39 -10.125 5.592 5.911
277 HE1 TYR 39 HE2 TYR 39 -5.503 5.169 7.555
278 HE2 TYR 39 HE1 TYR 39 -9.636 5.913 8.296
279 HH TYR 39 HH TYR 39 -6.460 6.282 9.486
280 H ILE 40 H ILE 40 -7.311 7.579 1.032
281 HA ILE 40 HA ILE 40 -8.933 6.157 -0.993
282 HB ILE 40 HB ILE 40 -7.599 8.904 -1.025
283 HG12 ILE 40 HG12 ILE 40 -10.539 8.115 -1.221
284 HG13 ILE 40 HG13 ILE 40 -9.751 8.738 0.223
285 HG21 ILE 40 HG21 ILE 40 -9.079 7.584 -3.324
286 HG22 ILE 40 HG22 ILE 40 -7.347 7.911 -3.261
287 HG23 ILE 40 HG23 ILE 40 -8.492 9.250 -3.291
288 HD11 ILE 40 HD11 ILE 40 -11.036 10.468 -0.822
289 HD12 ILE 40 HD12 ILE 40 -10.204 10.238 -2.360
290 HD13 ILE 40 HD13 ILE 40 -9.325 10.863 -0.959
291 H CYS 41 H CYS 41 -7.885 4.728 -2.217
292 HA CYS 41 HA CYS 41 -5.053 4.374 -2.215
293 HB2 CYS 41 HB2 CYS 41 -6.652 2.508 -2.478
294 HB3 CYS 41 HB3 CYS 41 -7.192 3.191 -4.017
295 H HIS 42 H HIS 42 -3.723 5.689 -3.257
296 HA HIS 42 HA HIS 42 -4.607 7.686 -5.098
297 HB2 HIS 42 HB2 HIS 42 -1.837 6.943 -4.094
298 HB3 HIS 42 HB3 HIS 42 -2.103 8.273 -5.211
299 HD1 HIS 42 HD1 HIS 42 -0.923 9.571 -3.161
300 HD2 HIS 42 HD2 HIS 42 -4.834 8.314 -2.555
301 HE1 HIS 42 HE1 HIS 42 -1.788 10.962 -1.266
302 HE2 HIS 42 HE2 HIS 42 -4.191 10.279 -1.013
303 H ILE 43 H ILE 43 -4.080 4.508 -5.829
304 HA ILE 43 HA ILE 43 -3.302 5.077 -8.629
305 HB ILE 43 HB ILE 43 -2.997 2.467 -7.051
306 HG12 ILE 43 HG12 ILE 43 -0.921 4.360 -8.264
307 HG13 ILE 43 HG13 ILE 43 -1.297 4.212 -6.554
308 HG21 ILE 43 HG21 ILE 43 -2.353 2.970 -9.989
309 HG22 ILE 43 HG22 ILE 43 -3.634 1.924 -9.372
310 HG23 ILE 43 HG23 ILE 43 -1.942 1.508 -9.090
311 HD11 ILE 43 HD11 ILE 43 0.767 3.095 -7.099
312 HD12 ILE 43 HD12 ILE 43 -0.060 2.075 -8.278
313 HD13 ILE 43 HD13 ILE 43 -0.442 1.932 -6.559
314 H CYS 44 H CYS 44 -5.788 3.764 -6.515
315 HA CYS 44 HA CYS 44 -7.294 2.566 -8.760
316 HB2 CYS 44 HB2 CYS 44 -7.859 2.472 -5.755
317 HB3 CYS 44 HB3 CYS 44 -8.682 1.537 -7.016
318 H ASN 45 H ASN 45 -7.240 5.406 -6.813
319 HA ASN 45 HA ASN 45 -8.563 7.154 -6.379
320 HB2 ASN 45 HB2 ASN 45 -9.115 7.270 -8.784
321 HB3 ASN 45 HB3 ASN 45 -10.440 6.131 -8.553
322 HD21 ASN 45 HD21 ASN 45 -12.363 6.874 -7.563
323 HD22 ASN 45 HD22 ASN 45 -12.690 8.552 -7.318
324 H ARG 46 H ARG 46 -10.549 4.247 -6.810
325 HA ARG 46 HA ARG 46 -12.396 4.888 -4.720
326 HB2 ARG 46 HB2 ARG 46 -13.179 2.489 -5.120
327 HB3 ARG 46 HB3 ARG 46 -13.275 3.583 -6.493
328 HG2 ARG 46 HG2 ARG 46 -11.136 2.587 -7.368
329 HG3 ARG 46 HG3 ARG 46 -11.195 1.410 -6.054
330 HD2 ARG 46 HD2 ARG 46 -13.221 0.439 -6.920
331 HD3 ARG 46 HD3 ARG 46 -13.427 1.744 -8.088
332 HE ARG 46 HE ARG 46 -10.967 0.575 -8.656
333 HH11 ARG 46 HH11 ARG 46 -14.317 -0.529 -8.634
334 HH12 ARG 46 HH12 ARG 46 -14.048 -1.708 -9.873
335 HH21 ARG 46 HH21 ARG 46 -10.666 -0.952 -10.326
336 HH22 ARG 46 HH22 ARG 46 -11.995 -1.946 -10.826
337 H GLY 47 H GLY 47 -12.184 4.535 -2.600
338 HA2 GLY 47 HA2 GLY 47 -10.086 2.774 -1.494
339 HA3 GLY 47 HA3 GLY 47 -11.010 3.981 -0.608
340 H ASP 48 H ASP 48 -12.090 1.495 -2.810
341 HA ASP 48 HA ASP 48 -14.408 0.763 -1.389
342 HB2 ASP 48 HB2 ASP 48 -14.206 0.605 -3.849
343 HB3 ASP 48 HB3 ASP 48 -12.940 -0.608 -3.702
344 H VAL 49 H VAL 49 -11.383 -0.992 -2.007
345 HA VAL 49 HA VAL 49 -11.981 -2.990 0.050
346 HB VAL 49 HB VAL 49 -9.519 -2.878 -1.759
347 HG11 VAL 49 HG11 VAL 49 -10.811 -5.197 -0.272
348 HG12 VAL 49 HG12 VAL 49 -9.334 -4.358 0.207
349 HG13 VAL 49 HG13 VAL 49 -9.369 -5.295 -1.290
350 HG21 VAL 49 HG21 VAL 49 -10.642 -4.414 -3.294
351 HG22 VAL 49 HG22 VAL 49 -11.567 -2.915 -3.160
352 HG23 VAL 49 HG23 VAL 49 -12.110 -4.367 -2.315
353 H GLU 50 H GLU 50 -11.841 -1.264 1.734
354 HA GLU 50 HA GLU 50 -9.389 0.096 2.313
355 HB2 GLU 50 HB2 GLU 50 -11.642 0.901 3.044
356 HB3 GLU 50 HB3 GLU 50 -11.751 -0.455 4.164
357 HG2 GLU 50 HG2 GLU 50 -9.685 0.429 5.319
358 HG3 GLU 50 HG3 GLU 50 -9.763 1.843 4.266
359 H GLU 51 H GLU 51 -10.759 -2.999 3.278
360 HA GLU 51 HA GLU 51 -9.166 -3.579 5.531
361 HB2 GLU 51 HB2 GLU 51 -10.481 -5.485 3.559
362 HB3 GLU 51 HB3 GLU 51 -9.902 -5.927 5.163
363 HG2 GLU 51 HG2 GLU 51 -11.594 -4.584 6.232
364 HG3 GLU 51 HG3 GLU 51 -12.068 -3.847 4.700
365 H SER 52 H SER 52 -8.539 -4.110 2.063
366 HA SER 52 HA SER 52 -5.925 -5.381 2.676
367 HB2 SER 52 HB2 SER 52 -7.572 -6.476 1.016
368 HB3 SER 52 HB3 SER 52 -7.223 -5.142 -0.079
369 HG SER 52 HG SER 52 -4.968 -5.799 0.089
370 H MET 53 H MET 53 -6.769 -2.448 2.832
371 HA MET 53 HA MET 53 -4.702 -1.234 1.096
372 HB2 MET 53 HB2 MET 53 -6.939 -0.204 0.920
373 HB3 MET 53 HB3 MET 53 -6.994 0.049 2.656
374 HG2 MET 53 HG2 MET 53 -5.029 1.591 2.431
375 HG3 MET 53 HG3 MET 53 -5.142 1.403 0.679
376 HE1 MET 53 HE1 MET 53 -8.407 1.269 0.358
377 HE2 MET 53 HE2 MET 53 -7.333 2.151 -0.732
378 HE3 MET 53 HE3 MET 53 -8.710 2.969 0.004
379 H LEU 54 H LEU 54 -2.969 -0.290 2.012
380 HA LEU 54 HA LEU 54 -2.584 -0.438 4.927
381 HB2 LEU 54 HB2 LEU 54 -0.546 -0.374 2.669
382 HB3 LEU 54 HB3 LEU 54 -0.146 -0.397 4.381
383 HG LEU 54 HG LEU 54 -1.584 -2.641 2.902
384 HD11 LEU 54 HD11 LEU 54 1.293 -2.481 3.851
385 HD12 LEU 54 HD12 LEU 54 0.740 -2.431 2.175
386 HD13 LEU 54 HD13 LEU 54 0.513 -3.894 3.130
387 HD21 LEU 54 HD21 LEU 54 -1.195 -3.965 4.940
388 HD22 LEU 54 HD22 LEU 54 -2.224 -2.571 5.260
389 HD23 LEU 54 HD23 LEU 54 -0.525 -2.542 5.746
390 H LEU 55 H LEU 55 -1.332 1.280 5.896
391 HA LEU 55 HA LEU 55 -1.681 3.943 4.668
392 HB2 LEU 55 HB2 LEU 55 -3.559 3.332 6.255
393 HB3 LEU 55 HB3 LEU 55 -2.387 3.172 7.543
394 HG LEU 55 HG LEU 55 -3.791 5.296 7.545
395 HD11 LEU 55 HD11 LEU 55 -2.045 6.813 8.247
396 HD12 LEU 55 HD12 LEU 55 -0.814 5.788 7.505
397 HD13 LEU 55 HD13 LEU 55 -1.754 5.189 8.873
398 HD21 LEU 55 HD21 LEU 55 -3.224 7.139 6.047
399 HD22 LEU 55 HD22 LEU 55 -3.803 5.746 5.135
400 HD23 LEU 55 HD23 LEU 55 -2.076 6.113 5.179
401 H CYS 56 H CYS 56 -0.023 5.355 5.106
402 HA CYS 56 HA CYS 56 2.485 4.210 5.949
403 HB2 CYS 56 HB2 CYS 56 1.786 6.954 4.874
404 HB3 CYS 56 HB3 CYS 56 3.437 6.403 5.212
405 H ASP 57 H ASP 57 3.266 4.314 7.952
406 HA ASP 57 HA ASP 57 2.324 5.967 10.050
407 HB2 ASP 57 HB2 ASP 57 3.509 3.769 10.380
408 HB3 ASP 57 HB3 ASP 57 5.008 4.497 9.820
409 H GLY 58 H GLY 58 4.836 6.350 7.621
410 HA2 GLY 58 HA2 GLY 58 6.066 8.692 8.866
411 HA3 GLY 58 HA3 GLY 58 6.550 7.911 7.365
412 H CYS 59 H CYS 59 5.081 8.185 5.486
413 HA CYS 59 HA CYS 59 4.485 11.011 5.121
414 HB2 CYS 59 HB2 CYS 59 4.272 10.405 2.737
415 HB3 CYS 59 HB3 CYS 59 5.756 9.697 3.425
416 H ASP 60 H ASP 60 2.454 11.309 3.443
417 HA ASP 60 HA ASP 60 0.061 10.235 4.824
418 HB2 ASP 60 HB2 ASP 60 0.314 12.588 5.300
419 HB3 ASP 60 HB3 ASP 60 0.745 12.962 3.642
420 H ASP 61 H ASP 61 -0.543 8.589 3.546
421 HA ASP 61 HA ASP 61 -1.980 9.015 1.148
422 HB2 ASP 61 HB2 ASP 61 -0.592 7.506 -0.420
423 HB3 ASP 61 HB3 ASP 61 0.033 9.119 -0.132
424 H SER 62 H SER 62 -2.934 7.021 0.369
425 HA SER 62 HA SER 62 -2.534 4.607 1.988
426 HB2 SER 62 HB2 SER 62 -5.219 5.649 0.970
427 HB3 SER 62 HB3 SER 62 -4.969 4.163 1.889
428 HG SER 62 HG SER 62 -3.884 6.066 3.311
429 H TYR 63 H TYR 63 -2.584 2.661 0.863
430 HA TYR 63 HA TYR 63 -3.077 2.615 -2.035
431 HB2 TYR 63 HB2 TYR 63 -0.395 1.951 -0.744
432 HB3 TYR 63 HB3 TYR 63 -0.843 1.330 -2.326
433 HD1 TYR 63 HD2 TYR 63 -1.222 2.943 -4.233
434 HD2 TYR 63 HD1 TYR 63 0.418 4.228 -0.497
435 HE1 TYR 63 HE2 TYR 63 -0.414 5.006 -5.283
436 HE2 TYR 63 HE1 TYR 63 1.214 6.300 -1.564
437 HH TYR 63 HH TYR 63 1.774 7.137 -3.748
438 H HIS 64 H HIS 64 -3.886 0.645 -2.704
439 HA HIS 64 HA HIS 64 -4.390 -1.464 -0.776
440 HB2 HIS 64 HB2 HIS 64 -4.669 -1.586 -3.813
441 HB3 HIS 64 HB3 HIS 64 -5.296 -2.765 -2.667
442 HD2 HIS 64 HD2 HIS 64 -7.140 -1.299 -0.764
443 HE1 HIS 64 HE1 HIS 64 -8.770 0.604 -4.162
444 HE2 HIS 64 HE2 HIS 64 -9.205 -0.119 -1.778
445 H THR 65 H THR 65 -3.318 -3.433 -0.667
446 HA THR 65 HA THR 65 -0.578 -3.631 -1.238
447 HB THR 65 HB THR 65 -0.901 -6.085 -0.657
448 HG1 THR 65 HG1 THR 65 -2.925 -6.865 -0.355
449 HG21 THR 65 HG21 THR 65 -2.285 -4.105 1.191
450 HG22 THR 65 HG22 THR 65 -0.555 -4.456 1.161
451 HG23 THR 65 HG23 THR 65 -1.697 -5.703 1.658
452 H PHE 66 H PHE 66 -3.369 -5.063 -2.878
453 HA PHE 66 HA PHE 66 -1.908 -6.457 -4.872
454 HB2 PHE 66 HB2 PHE 66 -4.147 -6.843 -5.929
455 HB3 PHE 66 HB3 PHE 66 -4.069 -7.289 -4.237
456 HD1 PHE 66 HD2 PHE 66 -5.484 -4.862 -6.657
457 HD2 PHE 66 HD1 PHE 66 -5.453 -6.158 -2.574
458 HE1 PHE 66 HE2 PHE 66 -7.517 -3.545 -6.218
459 HE2 PHE 66 HE1 PHE 66 -7.489 -4.843 -2.151
460 HZ PHE 66 HZ PHE 66 -8.518 -3.535 -3.968
461 H CYS 67 H CYS 67 -2.971 -3.112 -4.716
462 HA CYS 67 HA CYS 67 -2.704 -2.766 -7.651
463 HB2 CYS 67 HB2 CYS 67 -3.766 -0.629 -7.426
464 HB3 CYS 67 HB3 CYS 67 -4.707 -1.777 -6.490
465 H LEU 68 H LEU 68 -0.522 -3.118 -5.577
466 HA LEU 68 HA LEU 68 1.196 -0.830 -6.353
467 HB2 LEU 68 HB2 LEU 68 1.377 -2.826 -4.062
468 HB3 LEU 68 HB3 LEU 68 2.719 -1.774 -4.493
469 HG LEU 68 HG LEU 68 -0.029 -0.716 -3.696
470 HD11 LEU 68 HD11 LEU 68 2.433 -1.046 -1.936
471 HD12 LEU 68 HD12 LEU 68 0.933 -1.970 -1.809
472 HD13 LEU 68 HD13 LEU 68 0.929 -0.238 -1.480
473 HD21 LEU 68 HD21 LEU 68 1.319 0.828 -5.035
474 HD22 LEU 68 HD22 LEU 68 2.680 0.648 -3.922
475 HD23 LEU 68 HD23 LEU 68 1.180 1.405 -3.376
476 H LEU 69 H LEU 69 3.380 -1.332 -7.057
477 HA LEU 69 HA LEU 69 3.828 -4.105 -7.998
478 HB2 LEU 69 HB2 LEU 69 4.378 -1.528 -9.508
479 HB3 LEU 69 HB3 LEU 69 5.124 -3.058 -9.950
480 HG LEU 69 HG LEU 69 2.128 -2.496 -9.950
481 HD11 LEU 69 HD11 LEU 69 3.264 -1.317 -11.767
482 HD12 LEU 69 HD12 LEU 69 2.273 -2.633 -12.390
483 HD13 LEU 69 HD13 LEU 69 4.027 -2.821 -12.292
484 HD21 LEU 69 HD21 LEU 69 2.586 -4.837 -9.409
485 HD22 LEU 69 HD22 LEU 69 3.623 -4.987 -10.830
486 HD23 LEU 69 HD23 LEU 69 1.893 -4.693 -11.022
487 HA PRO 70 HA PRO 70 5.041 -5.712 -7.690
488 HB2 PRO 70 HB2 PRO 70 6.235 -7.264 -5.785
489 HB3 PRO 70 HB3 PRO 70 7.111 -6.713 -7.227
490 HG2 PRO 70 HG2 PRO 70 7.179 -5.580 -4.445
491 HG3 PRO 70 HG3 PRO 70 8.525 -5.918 -5.559
492 HD2 PRO 70 HD2 PRO 70 7.459 -3.410 -5.255
493 HD3 PRO 70 HD3 PRO 70 8.202 -3.965 -6.770
494 HA PRO 71 HA PRO 71 1.592 -5.346 -4.831
495 HB2 PRO 71 HB2 PRO 71 0.238 -7.689 -5.374
496 HB3 PRO 71 HB3 PRO 71 0.259 -6.304 -6.488
497 HG2 PRO 71 HG2 PRO 71 1.924 -8.801 -6.566
498 HG3 PRO 71 HG3 PRO 71 1.087 -7.966 -7.896
499 HD2 PRO 71 HD2 PRO 71 3.745 -7.659 -7.477
500 HD3 PRO 71 HD3 PRO 71 2.736 -6.332 -8.096
501 H LEU 72 H LEU 72 1.339 -5.764 -2.694
502 HA LEU 72 HA LEU 72 3.104 -7.685 -1.413
503 HB2 LEU 72 HB2 LEU 72 1.173 -5.709 -0.133
504 HB3 LEU 72 HB3 LEU 72 2.476 -6.569 0.676
505 HG LEU 72 HG LEU 72 2.817 -4.413 -1.455
506 HD11 LEU 72 HD11 LEU 72 2.042 -3.489 0.664
507 HD12 LEU 72 HD12 LEU 72 3.711 -3.019 0.351
508 HD13 LEU 72 HD13 LEU 72 3.360 -4.293 1.524
509 HD21 LEU 72 HD21 LEU 72 4.955 -5.894 0.117
510 HD22 LEU 72 HD22 LEU 72 5.230 -4.518 -0.954
511 HD23 LEU 72 HD23 LEU 72 4.636 -6.039 -1.615
512 H THR 73 H THR 73 1.972 -9.490 -2.392
513 HA THR 73 HA THR 73 -0.619 -10.367 -1.761
514 HB THR 73 HB THR 73 0.307 -12.668 -2.309
515 HG1 THR 73 HG1 THR 73 2.712 -11.899 -3.228
516 HG21 THR 73 HG21 THR 73 1.125 -10.457 -4.240
517 HG22 THR 73 HG22 THR 73 -0.480 -11.188 -4.136
518 HG23 THR 73 HG23 THR 73 0.898 -12.161 -4.655
519 H SER 74 H SER 74 2.449 -10.735 -0.074
520 HA SER 74 HA SER 74 1.198 -11.756 2.370
521 HB2 SER 74 HB2 SER 74 4.049 -10.871 1.821
522 HB3 SER 74 HB3 SER 74 3.492 -11.651 3.295
523 HG SER 74 HG SER 74 2.738 -13.350 1.625
524 H ILE 75 H ILE 75 -0.001 -10.281 3.316
525 HA ILE 75 HA ILE 75 0.504 -7.401 3.170
526 HB ILE 75 HB ILE 75 -1.865 -8.908 4.394
527 HG12 ILE 75 HG12 ILE 75 -1.577 -7.611 1.642
528 HG13 ILE 75 HG13 ILE 75 -1.663 -9.337 1.961
529 HG21 ILE 75 HG21 ILE 75 -3.040 -6.730 4.332
530 HG22 ILE 75 HG22 ILE 75 -1.588 -5.957 3.697
531 HG23 ILE 75 HG23 ILE 75 -1.583 -6.631 5.327
532 HD11 ILE 75 HD11 ILE 75 -3.875 -7.326 2.380
533 HD12 ILE 75 HD12 ILE 75 -3.968 -9.046 2.770
534 HD13 ILE 75 HD13 ILE 75 -3.749 -8.534 1.100
535 HA PRO 76 HA PRO 76 1.764 -7.535 7.592
536 HB2 PRO 76 HB2 PRO 76 3.241 -5.253 7.638
537 HB3 PRO 76 HB3 PRO 76 3.843 -6.728 6.848
538 HG2 PRO 76 HG2 PRO 76 2.797 -4.232 5.604
539 HG3 PRO 76 HG3 PRO 76 4.015 -5.377 4.997
540 HD2 PRO 76 HD2 PRO 76 1.233 -5.291 4.286
541 HD3 PRO 76 HD3 PRO 76 2.421 -6.514 3.801
542 H LYS 77 H LYS 77 -0.447 -7.278 8.266
543 HA LYS 77 HA LYS 77 -1.808 -4.796 8.326
544 HB2 LYS 77 HB2 LYS 77 -2.921 -7.039 8.529
545 HB3 LYS 77 HB3 LYS 77 -2.266 -7.186 10.156
546 HG2 LYS 77 HG2 LYS 77 -3.543 -5.096 10.777
547 HG3 LYS 77 HG3 LYS 77 -4.297 -5.154 9.179
548 HD2 LYS 77 HD2 LYS 77 -5.295 -7.352 9.713
549 HD3 LYS 77 HD3 LYS 77 -4.487 -7.353 11.285
550 HE2 LYS 77 HE2 LYS 77 -5.763 -5.310 11.910
551 HE3 LYS 77 HE3 LYS 77 -6.601 -5.382 10.362
552 HZ1 LYS 77 HZ1 LYS 77 -6.710 -7.487 12.457
553 HZ2 LYS 77 HZ2 LYS 77 -7.560 -7.493 11.000
554 HZ3 LYS 77 HZ3 LYS 77 -7.905 -6.328 12.173
555 H GLY 78 H GLY 78 0.484 -3.794 9.166
556 HA2 GLY 78 HA2 GLY 78 -0.463 -2.512 11.614
557 HA3 GLY 78 HA3 GLY 78 1.161 -3.208 11.637
558 H GLU 79 H GLU 79 1.868 -1.001 12.004
559 HA GLU 79 HA GLU 79 1.568 1.117 10.176
560 HB2 GLU 79 HB2 GLU 79 3.763 0.527 12.200
561 HB3 GLU 79 HB3 GLU 79 3.731 2.001 11.245
562 HG2 GLU 79 HG2 GLU 79 2.844 2.422 13.465
563 HG3 GLU 79 HG3 GLU 79 1.590 2.637 12.251
564 H TRP 80 H TRP 80 2.019 0.859 8.033
565 HA TRP 80 HA TRP 80 4.507 -0.485 7.168
566 HB2 TRP 80 HB2 TRP 80 2.510 -1.555 6.299
567 HB3 TRP 80 HB3 TRP 80 1.809 -0.017 5.826
568 HD1 TRP 80 HD1 TRP 80 4.752 -2.354 4.755
569 HE1 TRP 80 HE1 TRP 80 5.102 -2.041 2.225
570 HE3 TRP 80 HE3 TRP 80 1.414 1.437 3.944
571 HZ2 TRP 80 HZ2 TRP 80 4.065 -0.426 0.144
572 HZ3 TRP 80 HZ3 TRP 80 1.131 2.302 1.641
573 HH2 TRP 80 HH2 TRP 80 2.438 1.388 -0.215
574 H LEU 81 H LEU 81 5.706 0.546 5.443
575 HA LEU 81 HA LEU 81 5.312 3.475 5.184
576 HB2 LEU 81 HB2 LEU 81 7.921 1.900 5.214
577 HB3 LEU 81 HB3 LEU 81 7.789 3.626 4.931
578 HG LEU 81 HG LEU 81 7.143 2.173 7.530
579 HD11 LEU 81 HD11 LEU 81 9.056 3.397 8.461
580 HD12 LEU 81 HD12 LEU 81 9.372 4.138 6.889
581 HD13 LEU 81 HD13 LEU 81 9.557 2.395 7.099
582 HD21 LEU 81 HD21 LEU 81 6.931 5.138 6.925
583 HD22 LEU 81 HD22 LEU 81 6.739 4.386 8.511
584 HD23 LEU 81 HD23 LEU 81 5.588 4.033 7.226
585 H CYS 82 H CYS 82 5.029 4.188 3.174
586 HA CYS 82 HA CYS 82 5.054 2.336 0.915
587 HB2 CYS 82 HB2 CYS 82 3.845 4.042 -0.287
588 HB3 CYS 82 HB3 CYS 82 3.182 4.034 1.362
589 HA PRO 83 HA PRO 83 8.831 3.680 -1.342
590 HB2 PRO 83 HB2 PRO 83 6.819 4.932 -3.248
591 HB3 PRO 83 HB3 PRO 83 8.327 4.060 -3.620
592 HG2 PRO 83 HG2 PRO 83 6.017 2.773 -3.814
593 HG3 PRO 83 HG3 PRO 83 7.423 1.964 -3.085
594 HD2 PRO 83 HD2 PRO 83 4.974 3.040 -1.747
595 HD3 PRO 83 HD3 PRO 83 6.023 1.688 -1.264
596 H ARG 84 H ARG 84 6.184 6.113 -1.044
597 HA ARG 84 HA ARG 84 7.766 8.435 -1.321
598 HB2 ARG 84 HB2 ARG 84 5.256 8.348 -1.504
599 HB3 ARG 84 HB3 ARG 84 5.160 8.179 0.244
600 HG2 ARG 84 HG2 ARG 84 6.250 10.424 0.484
601 HG3 ARG 84 HG3 ARG 84 6.260 10.574 -1.275
602 HD2 ARG 84 HD2 ARG 84 3.737 10.347 -1.213
603 HD3 ARG 84 HD3 ARG 84 3.832 10.448 0.548
604 HE ARG 84 HE ARG 84 4.416 12.588 -1.389
605 HH11 ARG 84 HH11 ARG 84 4.016 11.648 1.968
606 HH12 ARG 84 HH12 ARG 84 3.919 13.279 2.541
607 HH21 ARG 84 HH21 ARG 84 4.227 14.712 -0.642
608 HH22 ARG 84 HH22 ARG 84 4.039 15.023 1.053
609 H CYS 85 H CYS 85 6.774 6.637 1.638
610 HA CYS 85 HA CYS 85 7.982 8.263 3.585
611 HB2 CYS 85 HB2 CYS 85 7.739 5.223 3.627
612 HB3 CYS 85 HB3 CYS 85 8.048 6.250 5.030
613 H VAL 86 H VAL 86 9.260 5.565 1.707
614 HA VAL 86 HA VAL 86 11.822 5.421 2.916
615 HB VAL 86 HB VAL 86 10.945 4.390 0.170
616 HG11 VAL 86 HG11 VAL 86 13.237 3.481 1.948
617 HG12 VAL 86 HG12 VAL 86 13.394 4.377 0.435
618 HG13 VAL 86 HG13 VAL 86 12.754 2.732 0.423
619 HG21 VAL 86 HG21 VAL 86 9.464 3.554 1.967
620 HG22 VAL 86 HG22 VAL 86 10.867 2.965 2.862
621 HG23 VAL 86 HG23 VAL 86 10.451 2.251 1.300
622 H VAL 87 H VAL 87 10.561 7.259 0.152
623 HA VAL 87 HA VAL 87 13.102 8.153 -0.835
624 HB VAL 87 HB VAL 87 10.251 9.085 -1.400
625 HG11 VAL 87 HG11 VAL 87 11.093 10.461 -3.274
626 HG12 VAL 87 HG12 VAL 87 12.755 10.150 -2.769
627 HG13 VAL 87 HG13 VAL 87 11.674 11.073 -1.723
628 HG21 VAL 87 HG21 VAL 87 12.267 7.613 -3.138
629 HG22 VAL 87 HG22 VAL 87 10.617 8.039 -3.602
630 HG23 VAL 87 HG23 VAL 87 10.897 6.877 -2.305
631 H GLU 88 H GLU 88 10.971 9.271 1.717
632 HA GLU 88 HA GLU 88 11.823 11.922 2.051
633 HB2 GLU 88 HB2 GLU 88 10.943 9.892 4.150
634 HB3 GLU 88 HB3 GLU 88 11.203 11.596 4.504
635 HG2 GLU 88 HG2 GLU 88 9.176 10.526 2.513
636 HG3 GLU 88 HG3 GLU 88 8.809 11.011 4.169
637 H GLU 89 H GLU 89 13.694 12.834 2.653
638 HA GLU 89 HA GLU 89 15.854 13.187 3.188
639 HB2 GLU 89 HB2 GLU 89 15.598 10.731 4.981
640 HB3 GLU 89 HB3 GLU 89 16.930 11.885 5.030
641 HG2 GLU 89 HG2 GLU 89 15.349 13.666 5.710
642 HG3 GLU 89 HG3 GLU 89 14.024 12.500 5.695
643 H VAL 90 H VAL 90 18.147 11.970 3.211
644 HA VAL 90 HA VAL 90 18.154 9.953 1.031
645 HB VAL 90 HB VAL 90 19.432 11.897 0.361
646 HG11 VAL 90 HG11 VAL 90 21.113 11.583 2.866
647 HG12 VAL 90 HG12 VAL 90 19.967 12.883 2.532
648 HG13 VAL 90 HG13 VAL 90 21.423 12.719 1.549
649 HG21 VAL 90 HG21 VAL 90 21.623 10.860 -0.148
650 HG22 VAL 90 HG22 VAL 90 20.308 9.703 -0.354
651 HG23 VAL 90 HG23 VAL 90 21.331 9.624 1.080
652 H SER 91 H SER 91 18.411 7.962 1.694
653 HA SER 91 HA SER 91 19.355 7.151 4.252
654 HB2 SER 91 HB2 SER 91 18.983 5.513 1.707
655 HB3 SER 91 HB3 SER 91 19.142 4.862 3.341
656 HG SER 91 HG SER 91 17.194 6.566 3.504
657 H LYS 92 H LYS 92 21.467 7.318 4.824
658 HA LYS 92 HA LYS 92 23.743 7.098 3.148
659 HB2 LYS 92 HB2 LYS 92 23.399 6.536 6.135
660 HB3 LYS 92 HB3 LYS 92 24.962 6.590 5.322
661 HG2 LYS 92 HG2 LYS 92 24.594 8.964 4.750
662 HG3 LYS 92 HG3 LYS 92 23.020 8.920 5.555
663 HD2 LYS 92 HD2 LYS 92 24.077 8.489 7.710
664 HD3 LYS 92 HD3 LYS 92 25.666 8.341 6.952
665 HE2 LYS 92 HE2 LYS 92 25.411 10.512 8.056
666 HE3 LYS 92 HE3 LYS 92 25.585 10.718 6.316
667 HZ1 LYS 92 HZ1 LYS 92 23.207 11.047 6.143
668 HZ2 LYS 92 HZ2 LYS 92 23.870 12.139 7.246
669 HZ3 LYS 92 HZ3 LYS 92 23.016 10.799 7.807
670 HA PRO 93 HA PRO 93 23.825 2.764 2.070
671 HB2 PRO 93 HB2 PRO 93 26.539 2.113 2.366
672 HB3 PRO 93 HB3 PRO 93 25.845 2.952 0.968
673 HG2 PRO 93 HG2 PRO 93 27.244 4.120 3.355
674 HG3 PRO 93 HG3 PRO 93 27.403 4.546 1.633
675 HD2 PRO 93 HD2 PRO 93 25.933 6.071 3.279
676 HD3 PRO 93 HD3 PRO 93 25.396 5.771 1.608
677 H GLN 94 H GLN 94 23.135 1.073 3.199
678 HA GLN 94 HA GLN 94 23.423 0.929 6.053
679 HB2 GLN 94 HB2 GLN 94 21.883 -1.083 5.832
680 HB3 GLN 94 HB3 GLN 94 21.251 0.428 5.195
681 HG2 GLN 94 HG2 GLN 94 21.839 -0.342 2.889
682 HG3 GLN 94 HG3 GLN 94 22.356 -1.885 3.565
683 HE21 GLN 94 HE21 GLN 94 19.639 0.107 2.719
684 HE22 GLN 94 HE22 GLN 94 18.415 -1.081 2.993
Start of MODEL 12
1 H1 SER 1 H1 SER 1 -70.471 57.498 44.061
2 H2 SER 1 H2 SER 1 -71.592 58.660 43.579
3 H3 SER 1 H3 SER 1 -69.984 59.103 43.822
4 HA SER 1 HA SER 1 -69.271 57.764 41.988
5 HB2 SER 1 HB2 SER 1 -72.237 57.105 41.646
6 HB3 SER 1 HB3 SER 1 -70.936 56.582 40.571
7 HG SER 1 HG SER 1 -70.070 55.383 42.255
8 H HIS 2 H HIS 2 -68.578 59.609 41.011
9 HA HIS 2 HA HIS 2 -70.534 61.232 39.454
10 HB2 HIS 2 HB2 HIS 2 -67.854 62.118 40.625
11 HB3 HIS 2 HB3 HIS 2 -68.845 63.095 39.551
12 HD2 HIS 2 HD2 HIS 2 -68.647 62.050 43.284
13 HE1 HIS 2 HE1 HIS 2 -71.749 64.882 42.809
14 HE2 HIS 2 HE2 HIS 2 -70.473 63.453 44.462
15 H MET 3 H MET 3 -69.656 62.029 37.349
16 HA MET 3 HA MET 3 -68.232 59.960 35.921
17 HB2 MET 3 HB2 MET 3 -68.644 61.277 33.907
18 HB3 MET 3 HB3 MET 3 -70.111 61.169 34.865
19 HG2 MET 3 HG2 MET 3 -69.836 63.458 35.633
20 HG3 MET 3 HG3 MET 3 -68.277 63.578 34.819
21 HE1 MET 3 HE1 MET 3 -69.281 63.596 31.035
22 HE2 MET 3 HE2 MET 3 -68.781 62.185 31.967
23 HE3 MET 3 HE3 MET 3 -67.960 63.732 32.194
24 H SER 4 H SER 4 -66.379 60.457 34.461
25 HA SER 4 HA SER 4 -64.447 62.396 35.583
26 HB2 SER 4 HB2 SER 4 -64.041 60.225 36.717
27 HB3 SER 4 HB3 SER 4 -63.942 59.401 35.162
28 HG SER 4 HG SER 4 -62.202 61.404 35.116
29 H GLY 5 H GLY 5 -64.546 63.674 33.752
30 HA2 GLY 5 HA2 GLY 5 -64.299 62.615 31.050
31 HA3 GLY 5 HA3 GLY 5 -64.443 64.303 31.528
32 H GLY 6 H GLY 6 -62.109 61.621 31.979
33 HA2 GLY 6 HA2 GLY 6 -59.822 63.490 31.783
34 HA3 GLY 6 HA3 GLY 6 -59.792 61.846 32.406
35 H SER 7 H SER 7 -60.988 63.213 29.334
36 HA SER 7 HA SER 7 -58.977 61.697 27.807
37 HB2 SER 7 HB2 SER 7 -60.823 60.973 26.205
38 HB3 SER 7 HB3 SER 7 -60.905 60.202 27.790
39 HG SER 7 HG SER 7 -62.461 62.384 26.847
40 HA PRO 8 HA PRO 8 -59.255 66.020 26.221
41 HB2 PRO 8 HB2 PRO 8 -56.662 66.365 25.568
42 HB3 PRO 8 HB3 PRO 8 -57.141 66.241 27.277
43 HG2 PRO 8 HG2 PRO 8 -55.986 64.108 25.495
44 HG3 PRO 8 HG3 PRO 8 -55.519 64.557 27.151
45 HD2 PRO 8 HD2 PRO 8 -57.209 62.452 26.586
46 HD3 PRO 8 HD3 PRO 8 -57.254 63.367 28.111
47 H LEU 9 H LEU 9 -58.549 67.058 24.069
48 HA LEU 9 HA LEU 9 -58.987 65.295 21.805
49 HB2 LEU 9 HB2 LEU 9 -58.534 67.485 20.469
50 HB3 LEU 9 HB3 LEU 9 -59.991 67.354 21.428
51 HG LEU 9 HG LEU 9 -58.798 68.723 23.243
52 HD11 LEU 9 HD11 LEU 9 -56.829 69.342 21.026
53 HD12 LEU 9 HD12 LEU 9 -56.478 68.469 22.518
54 HD13 LEU 9 HD13 LEU 9 -56.938 70.167 22.585
55 HD21 LEU 9 HD21 LEU 9 -60.529 69.693 21.827
56 HD22 LEU 9 HD22 LEU 9 -59.336 70.073 20.581
57 HD23 LEU 9 HD23 LEU 9 -59.264 70.877 22.152
58 H ALA 10 H ALA 10 -57.446 64.875 20.108
59 HA ALA 10 HA ALA 10 -54.606 65.108 20.835
60 HB1 ALA 10 HB1 ALA 10 -55.990 62.424 20.462
61 HB2 ALA 10 HB2 ALA 10 -55.408 63.078 21.995
62 HB3 ALA 10 HB3 ALA 10 -54.260 62.675 20.719
63 H THR 11 H THR 11 -54.195 66.274 18.976
64 HA THR 11 HA THR 11 -54.362 64.775 16.422
65 HB THR 11 HB THR 11 -53.695 67.749 16.716
66 HG1 THR 11 HG1 THR 11 -55.835 67.195 17.499
67 HG21 THR 11 HG21 THR 11 -53.013 66.686 14.565
68 HG22 THR 11 HG22 THR 11 -54.312 67.853 14.320
69 HG23 THR 11 HG23 THR 11 -54.672 66.128 14.322
70 H GLY 12 H GLY 12 -52.691 63.416 17.306
71 HA2 GLY 12 HA2 GLY 12 -50.133 64.373 18.152
72 HA3 GLY 12 HA3 GLY 12 -50.560 62.712 17.757
73 H THR 13 H THR 13 -48.403 64.913 16.959
74 HA THR 13 HA THR 13 -48.435 65.044 14.117
75 HB THR 13 HB THR 13 -45.981 65.671 14.394
76 HG1 THR 13 HG1 THR 13 -46.269 65.883 17.156
77 HG21 THR 13 HG21 THR 13 -46.398 67.807 15.555
78 HG22 THR 13 HG22 THR 13 -47.908 67.173 16.209
79 HG23 THR 13 HG23 THR 13 -47.738 67.417 14.469
80 H THR 14 H THR 14 -48.097 63.401 12.737
81 HA THR 14 HA THR 14 -47.379 60.784 13.591
82 HB THR 14 HB THR 14 -48.924 61.085 11.684
83 HG1 THR 14 HG1 THR 14 -47.430 59.193 11.837
84 HG21 THR 14 HG21 THR 14 -46.537 62.085 10.084
85 HG22 THR 14 HG22 THR 14 -47.914 63.071 10.585
86 HG23 THR 14 HG23 THR 14 -48.143 61.742 9.445
87 H ALA 15 H ALA 15 -45.426 59.929 13.857
88 HA ALA 15 HA ALA 15 -43.002 61.353 13.347
89 HB1 ALA 15 HB1 ALA 15 -41.877 59.310 14.180
90 HB2 ALA 15 HB2 ALA 15 -43.412 58.440 14.138
91 HB3 ALA 15 HB3 ALA 15 -43.198 59.794 15.248
92 H ASN 16 H ASN 16 -42.564 61.732 11.241
93 HA ASN 16 HA ASN 16 -42.215 59.431 9.407
94 HB2 ASN 16 HB2 ASN 16 -43.055 60.755 7.514
95 HB3 ASN 16 HB3 ASN 16 -44.287 60.663 8.765
96 HD21 ASN 16 HD21 ASN 16 -44.795 62.542 9.940
97 HD22 ASN 16 HD22 ASN 16 -44.390 64.117 9.363
98 H THR 17 H THR 17 -40.382 59.431 8.254
99 HA THR 17 HA THR 17 -38.574 61.589 7.824
100 HB THR 17 HB THR 17 -38.101 61.349 10.236
101 HG1 THR 17 HG1 THR 17 -36.166 61.783 9.568
102 HG21 THR 17 HG21 THR 17 -38.812 59.004 10.584
103 HG22 THR 17 HG22 THR 17 -37.189 59.286 11.215
104 HG23 THR 17 HG23 THR 17 -37.401 58.438 9.682
105 H ARG 18 H ARG 18 -36.449 60.660 6.889
106 HA ARG 18 HA ARG 18 -36.527 57.859 6.077
107 HB2 ARG 18 HB2 ARG 18 -36.284 58.308 3.678
108 HB3 ARG 18 HB3 ARG 18 -37.829 58.904 4.267
109 HG2 ARG 18 HG2 ARG 18 -37.145 61.181 4.085
110 HG3 ARG 18 HG3 ARG 18 -35.442 60.743 3.937
111 HD2 ARG 18 HD2 ARG 18 -37.594 60.136 1.875
112 HD3 ARG 18 HD3 ARG 18 -36.407 61.443 1.761
113 HE ARG 18 HE ARG 18 -34.679 59.580 1.865
114 HH11 ARG 18 HH11 ARG 18 -37.839 59.044 0.401
115 HH12 ARG 18 HH12 ARG 18 -37.261 57.774 -0.635
116 HH21 ARG 18 HH21 ARG 18 -33.953 57.898 0.529
117 HH22 ARG 18 HH22 ARG 18 -35.063 57.125 -0.565
118 H GLY 19 H GLY 19 -34.553 57.352 4.682
119 HA2 GLY 19 HA2 GLY 19 -32.258 57.561 4.270
120 HA3 GLY 19 HA3 GLY 19 -32.193 58.985 5.300
121 H ALA 20 H ALA 20 -31.375 55.756 5.097
122 HA ALA 20 HA ALA 20 -30.850 55.539 7.996
123 HB1 ALA 20 HB1 ALA 20 -32.950 54.310 7.579
124 HB2 ALA 20 HB2 ALA 20 -31.653 53.205 8.027
125 HB3 ALA 20 HB3 ALA 20 -32.160 53.335 6.338
126 H SER 21 H SER 21 -28.962 54.521 8.479
127 HA SER 21 HA SER 21 -27.395 53.156 6.396
128 HB2 SER 21 HB2 SER 21 -26.308 55.453 8.107
129 HB3 SER 21 HB3 SER 21 -25.353 54.450 7.013
130 HG SER 21 HG SER 21 -26.554 55.262 5.284
131 H GLN 22 H GLN 22 -28.164 51.315 7.652
132 HA GLN 22 HA GLN 22 -26.484 50.653 9.934
133 HB2 GLN 22 HB2 GLN 22 -28.349 51.902 11.007
134 HB3 GLN 22 HB3 GLN 22 -29.516 50.805 10.280
135 HG2 GLN 22 HG2 GLN 22 -28.586 48.935 11.604
136 HG3 GLN 22 HG3 GLN 22 -27.401 50.028 12.316
137 HE21 GLN 22 HE21 GLN 22 -28.106 51.555 13.863
138 HE22 GLN 22 HE22 GLN 22 -29.633 51.413 14.658
139 H LYS 23 H LYS 23 -25.734 48.783 9.127
140 HA LYS 23 HA LYS 23 -27.616 46.525 9.042
141 HB2 LYS 23 HB2 LYS 23 -26.432 45.436 7.200
142 HB3 LYS 23 HB3 LYS 23 -27.064 46.987 6.670
143 HG2 LYS 23 HG2 LYS 23 -24.830 47.976 6.771
144 HG3 LYS 23 HG3 LYS 23 -24.170 46.476 7.435
145 HD2 LYS 23 HD2 LYS 23 -24.796 45.289 5.336
146 HD3 LYS 23 HD3 LYS 23 -25.411 46.803 4.668
147 HE2 LYS 23 HE2 LYS 23 -22.531 46.290 5.489
148 HE3 LYS 23 HE3 LYS 23 -23.141 46.234 3.836
149 HZ1 LYS 23 HZ1 LYS 23 -23.759 48.591 4.063
150 HZ2 LYS 23 HZ2 LYS 23 -22.099 48.342 4.256
151 HZ3 LYS 23 HZ3 LYS 23 -23.070 48.617 5.609
152 H LYS 24 H LYS 24 -26.414 44.437 9.482
153 HA LYS 24 HA LYS 24 -23.943 44.781 11.041
154 HB2 LYS 24 HB2 LYS 24 -26.245 45.061 12.428
155 HB3 LYS 24 HB3 LYS 24 -26.213 43.307 12.410
156 HG2 LYS 24 HG2 LYS 24 -23.962 45.045 13.473
157 HG3 LYS 24 HG3 LYS 24 -25.254 44.381 14.469
158 HD2 LYS 24 HD2 LYS 24 -24.501 42.099 13.986
159 HD3 LYS 24 HD3 LYS 24 -23.273 42.711 12.872
160 HE2 LYS 24 HE2 LYS 24 -22.257 42.122 15.029
161 HE3 LYS 24 HE3 LYS 24 -22.145 43.860 14.757
162 HZ1 LYS 24 HZ1 LYS 24 -24.004 44.194 16.239
163 HZ2 LYS 24 HZ2 LYS 24 -22.810 43.295 17.031
164 HZ3 LYS 24 HZ3 LYS 24 -24.197 42.531 16.442
165 H GLY 25 H GLY 25 -22.673 42.975 10.950
166 HA2 GLY 25 HA2 GLY 25 -23.265 40.984 8.974
167 HA3 GLY 25 HA3 GLY 25 -21.808 41.113 9.941
168 H GLY 26 H GLY 26 -24.325 39.124 9.288
169 HA2 GLY 26 HA2 GLY 26 -24.611 37.893 11.937
170 HA3 GLY 26 HA3 GLY 26 -25.392 37.395 10.439
171 H GLU 27 H GLU 27 -24.676 35.267 11.476
172 HA GLU 27 HA GLU 27 -22.062 34.455 10.349
173 HB2 GLU 27 HB2 GLU 27 -21.539 33.141 12.379
174 HB3 GLU 27 HB3 GLU 27 -21.706 34.848 12.766
175 HG2 GLU 27 HG2 GLU 27 -23.993 34.411 13.645
176 HG3 GLU 27 HG3 GLU 27 -23.788 32.698 13.286
177 HA PRO 28 HA PRO 28 -24.643 30.884 9.141
178 HB2 PRO 28 HB2 PRO 28 -22.844 29.541 7.625
179 HB3 PRO 28 HB3 PRO 28 -23.525 31.091 7.095
180 HG2 PRO 28 HG2 PRO 28 -20.830 30.523 8.249
181 HG3 PRO 28 HG3 PRO 28 -21.293 31.662 6.968
182 HD2 PRO 28 HD2 PRO 28 -20.863 32.344 9.668
183 HD3 PRO 28 HD3 PRO 28 -21.709 33.346 8.471
184 HA PRO 29 HA PRO 29 -23.264 27.959 12.358
185 HB2 PRO 29 HB2 PRO 29 -25.516 26.439 12.510
186 HB3 PRO 29 HB3 PRO 29 -25.469 28.105 13.127
187 HG2 PRO 29 HG2 PRO 29 -26.665 27.077 10.588
188 HG3 PRO 29 HG3 PRO 29 -27.256 28.341 11.687
189 HD2 PRO 29 HD2 PRO 29 -25.864 28.828 9.310
190 HD3 PRO 29 HD3 PRO 29 -26.037 29.981 10.648
191 H ALA 30 H ALA 30 -21.617 26.741 11.480
192 HA ALA 30 HA ALA 30 -21.972 24.900 9.282
193 HB1 ALA 30 HB1 ALA 30 -19.644 25.239 11.201
194 HB2 ALA 30 HB2 ALA 30 -19.818 25.997 9.618
195 HB3 ALA 30 HB3 ALA 30 -19.626 24.247 9.737
196 H LEU 31 H LEU 31 -23.359 23.267 9.697
197 HA LEU 31 HA LEU 31 -23.100 21.647 12.177
198 HB2 LEU 31 HB2 LEU 31 -25.522 22.009 10.364
199 HB3 LEU 31 HB3 LEU 31 -25.479 21.064 11.846
200 HG LEU 31 HG LEU 31 -25.114 24.085 11.709
201 HD11 LEU 31 HD11 LEU 31 -27.368 24.240 12.665
202 HD12 LEU 31 HD12 LEU 31 -27.552 22.488 12.551
203 HD13 LEU 31 HD13 LEU 31 -27.389 23.460 11.085
204 HD21 LEU 31 HD21 LEU 31 -25.399 22.248 14.117
205 HD22 LEU 31 HD22 LEU 31 -25.372 24.013 14.173
206 HD23 LEU 31 HD23 LEU 31 -23.948 23.130 13.633
207 H ILE 32 H ILE 32 -21.697 20.091 11.567
208 HA ILE 32 HA ILE 32 -20.714 18.326 10.587
209 HB ILE 32 HB ILE 32 -23.514 17.496 9.686
210 HG12 ILE 32 HG12 ILE 32 -22.196 16.963 12.399
211 HG13 ILE 32 HG13 ILE 32 -23.494 18.119 12.123
212 HG21 ILE 32 HG21 ILE 32 -21.068 15.813 10.378
213 HG22 ILE 32 HG22 ILE 32 -21.688 16.113 8.752
214 HG23 ILE 32 HG23 ILE 32 -22.650 15.191 9.905
215 HD11 ILE 32 HD11 ILE 32 -23.694 15.124 11.781
216 HD12 ILE 32 HD12 ILE 32 -24.990 16.288 11.486
217 HD13 ILE 32 HD13 ILE 32 -24.339 16.085 13.111
218 H VAL 33 H VAL 33 -19.855 20.063 9.089
219 HA VAL 33 HA VAL 33 -20.746 19.861 6.290
220 HB VAL 33 HB VAL 33 -18.492 21.568 7.457
221 HG11 VAL 33 HG11 VAL 33 -19.870 21.750 4.746
222 HG12 VAL 33 HG12 VAL 33 -18.226 21.180 5.045
223 HG13 VAL 33 HG13 VAL 33 -18.642 22.864 5.361
224 HG21 VAL 33 HG21 VAL 33 -21.356 22.400 6.852
225 HG22 VAL 33 HG22 VAL 33 -20.053 23.472 7.375
226 HG23 VAL 33 HG23 VAL 33 -20.644 22.211 8.458
227 H ASP 34 H ASP 34 -20.171 17.817 5.735
228 HA ASP 34 HA ASP 34 -18.995 16.069 4.965
229 HB2 ASP 34 HB2 ASP 34 -16.703 18.051 5.000
230 HB3 ASP 34 HB3 ASP 34 -16.455 16.379 4.522
231 HA PRO 35 HA PRO 35 -17.606 14.038 8.768
232 HB2 PRO 35 HB2 PRO 35 -16.941 11.576 7.728
233 HB3 PRO 35 HB3 PRO 35 -18.622 12.098 7.971
234 HG2 PRO 35 HG2 PRO 35 -16.992 12.154 5.446
235 HG3 PRO 35 HG3 PRO 35 -18.664 11.593 5.690
236 HD2 PRO 35 HD2 PRO 35 -18.136 14.039 4.672
237 HD3 PRO 35 HD3 PRO 35 -19.530 13.766 5.740
238 H LEU 36 H LEU 36 -15.667 14.204 5.850
239 HA LEU 36 HA LEU 36 -13.495 14.330 5.342
240 HB2 LEU 36 HB2 LEU 36 -13.141 15.208 8.229
241 HB3 LEU 36 HB3 LEU 36 -11.937 15.394 6.964
242 HG LEU 36 HG LEU 36 -14.639 16.797 7.092
243 HD11 LEU 36 HD11 LEU 36 -13.330 18.856 7.359
244 HD12 LEU 36 HD12 LEU 36 -11.834 17.918 7.379
245 HD13 LEU 36 HD13 LEU 36 -13.022 17.721 8.670
246 HD21 LEU 36 HD21 LEU 36 -12.490 17.009 4.957
247 HD22 LEU 36 HD22 LEU 36 -13.918 18.042 5.084
248 HD23 LEU 36 HD23 LEU 36 -14.106 16.321 4.763
249 H MET 37 H MET 37 -14.659 11.863 6.729
250 HA MET 37 HA MET 37 -12.174 10.459 7.483
251 HB2 MET 37 HB2 MET 37 -14.009 10.163 9.084
252 HB3 MET 37 HB3 MET 37 -15.106 9.658 7.805
253 HG2 MET 37 HG2 MET 37 -13.715 7.644 7.429
254 HG3 MET 37 HG3 MET 37 -12.650 8.148 8.742
255 HE1 MET 37 HE1 MET 37 -14.717 4.999 10.045
256 HE2 MET 37 HE2 MET 37 -13.098 5.584 9.664
257 HE3 MET 37 HE3 MET 37 -14.268 5.307 8.371
258 H LYS 38 H LYS 38 -11.207 10.036 5.577
259 HA LYS 38 HA LYS 38 -12.236 7.870 3.985
260 HB2 LYS 38 HB2 LYS 38 -12.076 8.993 1.796
261 HB3 LYS 38 HB3 LYS 38 -13.295 9.761 2.804
262 HG2 LYS 38 HG2 LYS 38 -11.792 11.628 3.280
263 HG3 LYS 38 HG3 LYS 38 -10.488 10.848 2.378
264 HD2 LYS 38 HD2 LYS 38 -11.867 11.007 0.303
265 HD3 LYS 38 HD3 LYS 38 -13.131 11.829 1.222
266 HE2 LYS 38 HE2 LYS 38 -11.625 13.706 1.668
267 HE3 LYS 38 HE3 LYS 38 -10.297 12.866 0.861
268 HZ1 LYS 38 HZ1 LYS 38 -11.566 12.950 -1.207
269 HZ2 LYS 38 HZ2 LYS 38 -11.299 14.500 -0.594
270 HZ3 LYS 38 HZ3 LYS 38 -12.815 13.776 -0.429
271 H TYR 39 H TYR 39 -10.598 6.982 2.587
272 HA TYR 39 HA TYR 39 -7.844 7.977 3.010
273 HB2 TYR 39 HB2 TYR 39 -8.783 5.124 2.518
274 HB3 TYR 39 HB3 TYR 39 -7.096 5.624 2.522
275 HD1 TYR 39 HD2 TYR 39 -6.519 7.106 4.780
276 HD2 TYR 39 HD1 TYR 39 -9.458 4.013 4.476
277 HE1 TYR 39 HE2 TYR 39 -6.364 6.714 7.197
278 HE2 TYR 39 HE1 TYR 39 -9.293 3.624 6.905
279 HH TYR 39 HH TYR 39 -7.536 3.991 8.704
280 H ILE 40 H ILE 40 -9.833 6.057 0.794
281 HA ILE 40 HA ILE 40 -9.986 5.809 -1.441
282 HB ILE 40 HB ILE 40 -9.089 8.701 -1.316
283 HG12 ILE 40 HG12 ILE 40 -11.702 7.329 -2.092
284 HG13 ILE 40 HG13 ILE 40 -11.381 8.205 -0.602
285 HG21 ILE 40 HG21 ILE 40 -9.450 9.015 -3.710
286 HG22 ILE 40 HG22 ILE 40 -9.736 7.289 -3.924
287 HG23 ILE 40 HG23 ILE 40 -8.142 7.865 -3.436
288 HD11 ILE 40 HD11 ILE 40 -12.764 9.505 -2.068
289 HD12 ILE 40 HD12 ILE 40 -11.582 9.396 -3.371
290 HD13 ILE 40 HD13 ILE 40 -11.197 10.295 -1.898
291 H CYS 41 H CYS 41 -8.782 4.812 -3.063
292 HA CYS 41 HA CYS 41 -6.036 4.219 -2.380
293 HB2 CYS 41 HB2 CYS 41 -7.567 2.488 -3.318
294 HB3 CYS 41 HB3 CYS 41 -7.637 3.392 -4.829
295 H HIS 42 H HIS 42 -4.369 5.382 -3.005
296 HA HIS 42 HA HIS 42 -4.420 7.684 -4.578
297 HB2 HIS 42 HB2 HIS 42 -2.746 7.251 -2.848
298 HB3 HIS 42 HB3 HIS 42 -2.128 5.859 -3.722
299 HD1 HIS 42 HD1 HIS 42 -1.987 9.597 -3.607
300 HD2 HIS 42 HD2 HIS 42 -0.308 6.470 -5.754
301 HE1 HIS 42 HE1 HIS 42 -0.042 10.594 -4.834
302 HE2 HIS 42 HE2 HIS 42 1.010 8.666 -6.049
303 H ILE 43 H ILE 43 -4.256 4.384 -5.607
304 HA ILE 43 HA ILE 43 -3.039 5.067 -8.219
305 HB ILE 43 HB ILE 43 -3.208 2.323 -6.870
306 HG12 ILE 43 HG12 ILE 43 -0.624 2.539 -6.854
307 HG13 ILE 43 HG13 ILE 43 -0.856 4.257 -7.145
308 HG21 ILE 43 HG21 ILE 43 -3.299 2.102 -9.303
309 HG22 ILE 43 HG22 ILE 43 -1.750 1.518 -8.694
310 HG23 ILE 43 HG23 ILE 43 -1.851 3.100 -9.472
311 HD11 ILE 43 HD11 ILE 43 -0.498 3.940 -4.830
312 HD12 ILE 43 HD12 ILE 43 -1.695 2.654 -4.750
313 HD13 ILE 43 HD13 ILE 43 -2.207 4.317 -5.025
314 H CYS 44 H CYS 44 -5.711 3.167 -6.689
315 HA CYS 44 HA CYS 44 -6.882 2.773 -9.393
316 HB2 CYS 44 HB2 CYS 44 -7.633 0.531 -8.622
317 HB3 CYS 44 HB3 CYS 44 -5.881 0.685 -8.632
318 H ASN 45 H ASN 45 -7.393 4.696 -7.061
319 HA ASN 45 HA ASN 45 -9.083 6.133 -6.740
320 HB2 ASN 45 HB2 ASN 45 -10.854 4.268 -8.363
321 HB3 ASN 45 HB3 ASN 45 -11.286 5.889 -7.837
322 HD21 ASN 45 HD21 ASN 45 -9.488 4.026 -10.123
323 HD22 ASN 45 HD22 ASN 45 -8.975 5.339 -11.120
324 H ARG 46 H ARG 46 -10.502 2.872 -6.480
325 HA ARG 46 HA ARG 46 -12.592 3.653 -4.787
326 HB2 ARG 46 HB2 ARG 46 -11.440 0.903 -5.378
327 HB3 ARG 46 HB3 ARG 46 -12.918 1.161 -4.454
328 HG2 ARG 46 HG2 ARG 46 -13.993 2.208 -6.385
329 HG3 ARG 46 HG3 ARG 46 -12.492 2.094 -7.308
330 HD2 ARG 46 HD2 ARG 46 -14.104 0.347 -7.951
331 HD3 ARG 46 HD3 ARG 46 -12.621 -0.340 -7.294
332 HE ARG 46 HE ARG 46 -13.907 -0.625 -5.159
333 HH11 ARG 46 HH11 ARG 46 -15.635 -0.573 -8.234
334 HH12 ARG 46 HH12 ARG 46 -16.949 -1.534 -7.626
335 HH21 ARG 46 HH21 ARG 46 -15.604 -1.939 -4.420
336 HH22 ARG 46 HH22 ARG 46 -16.930 -2.305 -5.474
337 H GLY 47 H GLY 47 -12.691 4.095 -2.721
338 HA2 GLY 47 HA2 GLY 47 -10.689 3.079 -0.783
339 HA3 GLY 47 HA3 GLY 47 -11.775 4.448 -0.535
340 H ASP 48 H ASP 48 -12.410 1.321 -1.902
341 HA ASP 48 HA ASP 48 -14.804 0.929 -0.259
342 HB2 ASP 48 HB2 ASP 48 -15.115 0.932 -2.687
343 HB3 ASP 48 HB3 ASP 48 -13.828 -0.241 -2.914
344 H VAL 49 H VAL 49 -12.018 -0.859 -1.561
345 HA VAL 49 HA VAL 49 -12.253 -3.029 0.365
346 HB VAL 49 HB VAL 49 -10.155 -2.532 -1.807
347 HG11 VAL 49 HG11 VAL 49 -9.329 -4.090 -0.101
348 HG12 VAL 49 HG12 VAL 49 -9.634 -4.935 -1.620
349 HG13 VAL 49 HG13 VAL 49 -10.777 -5.086 -0.282
350 HG21 VAL 49 HG21 VAL 49 -12.408 -2.754 -2.779
351 HG22 VAL 49 HG22 VAL 49 -12.632 -4.291 -1.939
352 HG23 VAL 49 HG23 VAL 49 -11.396 -4.138 -3.191
353 H GLU 50 H GLU 50 -12.030 -1.422 2.132
354 HA GLU 50 HA GLU 50 -9.485 -0.110 2.568
355 HB2 GLU 50 HB2 GLU 50 -11.872 -0.411 4.432
356 HB3 GLU 50 HB3 GLU 50 -10.486 0.650 4.687
357 HG2 GLU 50 HG2 GLU 50 -11.089 1.832 2.541
358 HG3 GLU 50 HG3 GLU 50 -12.547 0.850 2.477
359 H GLU 51 H GLU 51 -10.880 -3.173 3.337
360 HA GLU 51 HA GLU 51 -9.363 -3.900 5.607
361 HB2 GLU 51 HB2 GLU 51 -9.992 -6.235 5.016
362 HB3 GLU 51 HB3 GLU 51 -11.361 -5.134 4.976
363 HG2 GLU 51 HG2 GLU 51 -11.133 -5.017 2.489
364 HG3 GLU 51 HG3 GLU 51 -9.859 -6.229 2.584
365 H SER 52 H SER 52 -8.592 -3.995 2.161
366 HA SER 52 HA SER 52 -5.970 -5.264 2.682
367 HB2 SER 52 HB2 SER 52 -7.404 -4.765 0.031
368 HB3 SER 52 HB3 SER 52 -5.889 -5.650 0.242
369 HG SER 52 HG SER 52 -6.961 -7.254 1.289
370 H MET 53 H MET 53 -7.261 -2.266 2.660
371 HA MET 53 HA MET 53 -5.180 -0.882 1.168
372 HB2 MET 53 HB2 MET 53 -7.458 0.042 1.128
373 HB3 MET 53 HB3 MET 53 -7.466 0.199 2.877
374 HG2 MET 53 HG2 MET 53 -5.724 1.909 2.751
375 HG3 MET 53 HG3 MET 53 -5.627 1.708 1.001
376 HE1 MET 53 HE1 MET 53 -9.110 3.071 -0.170
377 HE2 MET 53 HE2 MET 53 -8.744 1.385 0.187
378 HE3 MET 53 HE3 MET 53 -7.573 2.379 -0.684
379 H LEU 54 H LEU 54 -3.228 -0.681 2.059
380 HA LEU 54 HA LEU 54 -2.798 -0.570 4.954
381 HB2 LEU 54 HB2 LEU 54 -0.790 -0.478 2.649
382 HB3 LEU 54 HB3 LEU 54 -0.380 -0.526 4.356
383 HG LEU 54 HG LEU 54 -1.617 -2.826 4.409
384 HD11 LEU 54 HD11 LEU 54 -1.211 -2.619 1.414
385 HD12 LEU 54 HD12 LEU 54 -2.758 -2.690 2.259
386 HD13 LEU 54 HD13 LEU 54 -1.673 -4.077 2.299
387 HD21 LEU 54 HD21 LEU 54 0.393 -4.032 3.684
388 HD22 LEU 54 HD22 LEU 54 0.805 -2.611 4.640
389 HD23 LEU 54 HD23 LEU 54 0.990 -2.572 2.885
390 H LEU 55 H LEU 55 -2.571 1.304 5.996
391 HA LEU 55 HA LEU 55 -2.460 3.845 4.480
392 HB2 LEU 55 HB2 LEU 55 -4.351 3.539 6.060
393 HB3 LEU 55 HB3 LEU 55 -3.243 3.260 7.383
394 HG LEU 55 HG LEU 55 -4.413 5.570 7.237
395 HD11 LEU 55 HD11 LEU 55 -1.392 5.607 7.542
396 HD12 LEU 55 HD12 LEU 55 -2.557 5.174 8.793
397 HD13 LEU 55 HD13 LEU 55 -2.530 6.813 8.154
398 HD21 LEU 55 HD21 LEU 55 -3.391 7.288 5.816
399 HD22 LEU 55 HD22 LEU 55 -4.071 5.988 4.838
400 HD23 LEU 55 HD23 LEU 55 -2.326 6.080 5.088
401 H CYS 56 H CYS 56 -0.600 4.972 4.528
402 HA CYS 56 HA CYS 56 1.727 3.755 5.747
403 HB2 CYS 56 HB2 CYS 56 1.666 4.645 3.371
404 HB3 CYS 56 HB3 CYS 56 1.612 6.275 4.059
405 H ASP 57 H ASP 57 2.468 4.268 7.661
406 HA ASP 57 HA ASP 57 1.421 6.402 9.278
407 HB2 ASP 57 HB2 ASP 57 1.921 4.236 10.260
408 HB3 ASP 57 HB3 ASP 57 3.598 4.317 9.727
409 H GLY 58 H GLY 58 4.446 5.834 7.527
410 HA2 GLY 58 HA2 GLY 58 5.862 8.079 8.654
411 HA3 GLY 58 HA3 GLY 58 6.400 7.036 7.352
412 H CYS 59 H CYS 59 3.353 8.253 6.658
413 HA CYS 59 HA CYS 59 4.024 10.871 5.666
414 HB2 CYS 59 HB2 CYS 59 3.791 10.483 3.263
415 HB3 CYS 59 HB3 CYS 59 5.052 9.417 3.858
416 H ASP 60 H ASP 60 1.900 10.953 3.687
417 HA ASP 60 HA ASP 60 -0.481 10.716 5.405
418 HB2 ASP 60 HB2 ASP 60 0.096 12.968 4.406
419 HB3 ASP 60 HB3 ASP 60 -0.064 12.275 2.797
420 H ASP 61 H ASP 61 1.095 9.337 2.660
421 HA ASP 61 HA ASP 61 -1.049 8.950 0.881
422 HB2 ASP 61 HB2 ASP 61 1.696 8.718 0.667
423 HB3 ASP 61 HB3 ASP 61 1.248 7.023 0.653
424 H SER 62 H SER 62 -1.884 6.870 0.064
425 HA SER 62 HA SER 62 -2.231 4.744 2.058
426 HB2 SER 62 HB2 SER 62 -4.049 6.448 2.466
427 HB3 SER 62 HB3 SER 62 -4.601 6.215 0.808
428 HG SER 62 HG SER 62 -5.739 4.647 1.610
429 H TYR 63 H TYR 63 -2.086 2.851 1.072
430 HA TYR 63 HA TYR 63 -2.499 2.549 -1.863
431 HB2 TYR 63 HB2 TYR 63 -0.300 1.416 -0.065
432 HB3 TYR 63 HB3 TYR 63 -0.623 0.792 -1.676
433 HD1 TYR 63 HD1 TYR 63 0.312 3.986 0.107
434 HD2 TYR 63 HD2 TYR 63 0.496 1.723 -3.513
435 HE1 TYR 63 HE1 TYR 63 1.817 5.674 -0.874
436 HE2 TYR 63 HE2 TYR 63 1.981 3.412 -4.489
437 HH TYR 63 HH TYR 63 2.516 5.748 -4.205
438 H HIS 64 H HIS 64 -3.022 0.310 -2.507
439 HA HIS 64 HA HIS 64 -4.193 -1.402 -0.372
440 HB2 HIS 64 HB2 HIS 64 -4.379 -1.557 -3.421
441 HB3 HIS 64 HB3 HIS 64 -4.887 -2.879 -2.391
442 HD2 HIS 64 HD2 HIS 64 -6.966 -2.051 -0.501
443 HE1 HIS 64 HE1 HIS 64 -8.554 0.589 -3.388
444 HE2 HIS 64 HE2 HIS 64 -8.955 -0.565 -1.172
445 H THR 65 H THR 65 -3.713 -3.779 -0.705
446 HA THR 65 HA THR 65 -1.051 -4.604 -0.981
447 HB THR 65 HB THR 65 -2.201 -6.881 -1.524
448 HG1 THR 65 HG1 THR 65 -4.300 -6.883 -1.823
449 HG21 THR 65 HG21 THR 65 -3.084 -5.420 0.996
450 HG22 THR 65 HG22 THR 65 -1.562 -6.293 0.789
451 HG23 THR 65 HG23 THR 65 -3.093 -7.173 0.764
452 H PHE 66 H PHE 66 -3.752 -4.629 -3.325
453 HA PHE 66 HA PHE 66 -1.958 -5.032 -5.602
454 HB2 PHE 66 HB2 PHE 66 -4.096 -5.386 -6.911
455 HB3 PHE 66 HB3 PHE 66 -3.817 -6.569 -5.648
456 HD1 PHE 66 HD1 PHE 66 -5.127 -6.321 -3.442
457 HD2 PHE 66 HD2 PHE 66 -6.164 -4.139 -6.973
458 HE1 PHE 66 HE1 PHE 66 -7.385 -5.928 -2.546
459 HE2 PHE 66 HE2 PHE 66 -8.417 -3.751 -6.061
460 HZ PHE 66 HZ PHE 66 -9.027 -4.645 -3.853
461 H CYS 67 H CYS 67 -1.133 -2.857 -5.143
462 HA CYS 67 HA CYS 67 -2.349 -0.927 -6.974
463 HB2 CYS 67 HB2 CYS 67 -1.825 -0.315 -4.052
464 HB3 CYS 67 HB3 CYS 67 -1.855 0.958 -5.272
465 H LEU 68 H LEU 68 0.359 -2.428 -5.657
466 HA LEU 68 HA LEU 68 2.235 -0.443 -6.816
467 HB2 LEU 68 HB2 LEU 68 2.900 -2.561 -4.728
468 HB3 LEU 68 HB3 LEU 68 3.953 -1.293 -5.331
469 HG LEU 68 HG LEU 68 1.882 0.235 -4.324
470 HD11 LEU 68 HD11 LEU 68 2.049 -2.125 -2.443
471 HD12 LEU 68 HD12 LEU 68 0.662 -1.661 -3.432
472 HD13 LEU 68 HD13 LEU 68 1.214 -0.597 -2.142
473 HD21 LEU 68 HD21 LEU 68 4.289 -0.698 -2.736
474 HD22 LEU 68 HD22 LEU 68 3.328 0.753 -2.430
475 HD23 LEU 68 HD23 LEU 68 4.262 0.614 -3.917
476 H LEU 69 H LEU 69 4.406 -1.667 -7.406
477 HA LEU 69 HA LEU 69 3.884 -4.286 -8.620
478 HB2 LEU 69 HB2 LEU 69 5.208 -3.700 -10.615
479 HB3 LEU 69 HB3 LEU 69 3.734 -2.767 -10.492
480 HG LEU 69 HG LEU 69 6.432 -1.622 -9.680
481 HD11 LEU 69 HD11 LEU 69 6.572 -0.577 -11.888
482 HD12 LEU 69 HD12 LEU 69 5.118 -1.437 -12.405
483 HD13 LEU 69 HD13 LEU 69 6.585 -2.337 -12.007
484 HD21 LEU 69 HD21 LEU 69 3.822 -0.272 -10.445
485 HD22 LEU 69 HD22 LEU 69 5.321 0.548 -9.991
486 HD23 LEU 69 HD23 LEU 69 4.461 -0.443 -8.809
487 HA PRO 70 HA PRO 70 4.459 -6.091 -8.463
488 HB2 PRO 70 HB2 PRO 70 5.121 -8.200 -6.856
489 HB3 PRO 70 HB3 PRO 70 6.053 -7.794 -8.311
490 HG2 PRO 70 HG2 PRO 70 6.689 -7.194 -5.448
491 HG3 PRO 70 HG3 PRO 70 7.769 -7.730 -6.754
492 HD2 PRO 70 HD2 PRO 70 7.520 -5.090 -5.933
493 HD3 PRO 70 HD3 PRO 70 8.089 -5.583 -7.542
494 HA PRO 71 HA PRO 71 1.356 -5.044 -5.358
495 HB2 PRO 71 HB2 PRO 71 -0.476 -7.105 -5.915
496 HB3 PRO 71 HB3 PRO 71 -0.358 -5.588 -6.823
497 HG2 PRO 71 HG2 PRO 71 0.800 -8.274 -7.493
498 HG3 PRO 71 HG3 PRO 71 0.017 -7.084 -8.560
499 HD2 PRO 71 HD2 PRO 71 2.688 -7.306 -8.513
500 HD3 PRO 71 HD3 PRO 71 1.913 -5.711 -8.662
501 H LEU 72 H LEU 72 1.357 -5.461 -3.216
502 HA LEU 72 HA LEU 72 2.900 -7.537 -2.092
503 HB2 LEU 72 HB2 LEU 72 0.907 -5.687 -0.722
504 HB3 LEU 72 HB3 LEU 72 2.156 -6.623 0.090
505 HG LEU 72 HG LEU 72 2.654 -4.342 -1.873
506 HD11 LEU 72 HD11 LEU 72 1.750 -3.527 0.258
507 HD12 LEU 72 HD12 LEU 72 3.440 -3.063 0.073
508 HD13 LEU 72 HD13 LEU 72 3.004 -4.397 1.147
509 HD21 LEU 72 HD21 LEU 72 5.028 -4.535 -1.210
510 HD22 LEU 72 HD22 LEU 72 4.449 -5.993 -2.010
511 HD23 LEU 72 HD23 LEU 72 4.646 -5.972 -0.255
512 H THR 73 H THR 73 2.314 -9.611 -2.069
513 HA THR 73 HA THR 73 -0.412 -10.512 -2.123
514 HB THR 73 HB THR 73 1.383 -11.780 -3.268
515 HG1 THR 73 HG1 THR 73 0.326 -13.508 -1.281
516 HG21 THR 73 HG21 THR 73 2.916 -13.233 -1.997
517 HG22 THR 73 HG22 THR 73 2.327 -12.545 -0.482
518 HG23 THR 73 HG23 THR 73 3.206 -11.531 -1.628
519 H SER 74 H SER 74 1.866 -9.811 0.391
520 HA SER 74 HA SER 74 0.005 -10.819 2.466
521 HB2 SER 74 HB2 SER 74 3.058 -10.918 2.555
522 HB3 SER 74 HB3 SER 74 1.977 -11.415 3.863
523 HG SER 74 HG SER 74 1.466 -13.186 2.797
524 H ILE 75 H ILE 75 -0.167 -9.553 4.329
525 HA ILE 75 HA ILE 75 0.552 -6.768 4.188
526 HB ILE 75 HB ILE 75 -0.594 -8.373 6.522
527 HG12 ILE 75 HG12 ILE 75 -2.094 -8.413 4.552
528 HG13 ILE 75 HG13 ILE 75 -2.798 -7.474 5.859
529 HG21 ILE 75 HG21 ILE 75 0.445 -6.297 7.324
530 HG22 ILE 75 HG22 ILE 75 -1.311 -6.191 7.454
531 HG23 ILE 75 HG23 ILE 75 -0.474 -5.356 6.143
532 HD11 ILE 75 HD11 ILE 75 -1.462 -6.354 3.396
533 HD12 ILE 75 HD12 ILE 75 -2.171 -5.402 4.703
534 HD13 ILE 75 HD13 ILE 75 -3.195 -6.436 3.708
535 HA PRO 76 HA PRO 76 4.521 -7.646 6.298
536 HB2 PRO 76 HB2 PRO 76 5.591 -5.082 5.691
537 HB3 PRO 76 HB3 PRO 76 5.820 -6.564 4.751
538 HG2 PRO 76 HG2 PRO 76 4.365 -4.242 3.968
539 HG3 PRO 76 HG3 PRO 76 4.518 -5.771 3.081
540 HD2 PRO 76 HD2 PRO 76 2.270 -4.786 4.752
541 HD3 PRO 76 HD3 PRO 76 2.262 -5.993 3.448
542 H LYS 77 H LYS 77 3.370 -7.683 8.275
543 HA LYS 77 HA LYS 77 3.138 -7.197 10.470
544 HB2 LYS 77 HB2 LYS 77 4.485 -4.528 9.895
545 HB3 LYS 77 HB3 LYS 77 4.161 -5.179 11.498
546 HG2 LYS 77 HG2 LYS 77 5.774 -6.948 11.186
547 HG3 LYS 77 HG3 LYS 77 5.980 -6.527 9.480
548 HD2 LYS 77 HD2 LYS 77 6.905 -4.312 10.162
549 HD3 LYS 77 HD3 LYS 77 6.743 -4.780 11.859
550 HE2 LYS 77 HE2 LYS 77 8.354 -6.596 11.529
551 HE3 LYS 77 HE3 LYS 77 8.466 -6.207 9.809
552 HZ1 LYS 77 HZ1 LYS 77 9.343 -4.037 10.390
553 HZ2 LYS 77 HZ2 LYS 77 10.305 -5.266 11.044
554 HZ3 LYS 77 HZ3 LYS 77 9.242 -4.405 12.039
555 H GLY 78 H GLY 78 2.736 -4.078 8.885
556 HA2 GLY 78 HA2 GLY 78 0.141 -3.571 8.620
557 HA3 GLY 78 HA3 GLY 78 0.320 -3.431 10.379
558 H GLU 79 H GLU 79 2.761 -2.416 10.720
559 HA GLU 79 HA GLU 79 2.750 0.275 9.734
560 HB2 GLU 79 HB2 GLU 79 4.959 0.458 10.952
561 HB3 GLU 79 HB3 GLU 79 3.631 -0.080 11.967
562 HG2 GLU 79 HG2 GLU 79 4.451 -2.398 11.831
563 HG3 GLU 79 HG3 GLU 79 5.754 -1.885 10.766
564 H TRP 80 H TRP 80 2.728 -0.133 7.460
565 HA TRP 80 HA TRP 80 5.270 -1.044 6.258
566 HB2 TRP 80 HB2 TRP 80 3.424 -2.339 5.403
567 HB3 TRP 80 HB3 TRP 80 2.425 -0.907 5.182
568 HD1 TRP 80 HD1 TRP 80 5.541 -2.613 3.601
569 HE1 TRP 80 HE1 TRP 80 5.706 -1.831 1.155
570 HE3 TRP 80 HE3 TRP 80 1.752 0.810 3.588
571 HZ2 TRP 80 HZ2 TRP 80 4.408 -0.007 -0.548
572 HZ3 TRP 80 HZ3 TRP 80 1.275 2.044 1.505
573 HH2 TRP 80 HH2 TRP 80 2.584 1.642 -0.520
574 H LEU 81 H LEU 81 6.531 0.524 5.513
575 HA LEU 81 HA LEU 81 5.547 3.269 5.160
576 HB2 LEU 81 HB2 LEU 81 8.384 2.157 5.048
577 HB3 LEU 81 HB3 LEU 81 7.948 3.860 5.036
578 HG LEU 81 HG LEU 81 7.523 1.941 7.365
579 HD11 LEU 81 HD11 LEU 81 9.556 4.173 7.053
580 HD12 LEU 81 HD12 LEU 81 9.893 2.440 7.027
581 HD13 LEU 81 HD13 LEU 81 9.301 3.195 8.504
582 HD21 LEU 81 HD21 LEU 81 5.787 3.660 7.322
583 HD22 LEU 81 HD22 LEU 81 7.012 4.928 7.221
584 HD23 LEU 81 HD23 LEU 81 6.891 3.926 8.670
585 H CYS 82 H CYS 82 4.895 3.829 3.172
586 HA CYS 82 HA CYS 82 5.507 2.538 0.726
587 HB2 CYS 82 HB2 CYS 82 4.488 4.562 -0.309
588 HB3 CYS 82 HB3 CYS 82 3.501 3.965 1.020
589 HA PRO 83 HA PRO 83 9.548 4.167 -0.350
590 HB2 PRO 83 HB2 PRO 83 9.240 4.936 -3.022
591 HB3 PRO 83 HB3 PRO 83 9.522 3.277 -2.468
592 HG2 PRO 83 HG2 PRO 83 6.946 4.584 -3.241
593 HG3 PRO 83 HG3 PRO 83 7.518 2.933 -3.566
594 HD2 PRO 83 HD2 PRO 83 5.717 3.440 -1.615
595 HD3 PRO 83 HD3 PRO 83 6.938 2.160 -1.447
596 H ARG 84 H ARG 84 6.774 6.229 -0.729
597 HA ARG 84 HA ARG 84 8.017 8.735 -1.105
598 HB2 ARG 84 HB2 ARG 84 5.603 8.407 -1.389
599 HB3 ARG 84 HB3 ARG 84 5.426 7.945 0.295
600 HG2 ARG 84 HG2 ARG 84 5.934 10.244 0.998
601 HG3 ARG 84 HG3 ARG 84 6.167 10.716 -0.687
602 HD2 ARG 84 HD2 ARG 84 3.837 10.298 -1.199
603 HD3 ARG 84 HD3 ARG 84 3.565 9.568 0.387
604 HE ARG 84 HE ARG 84 4.444 12.179 0.829
605 HH11 ARG 84 HH11 ARG 84 1.654 10.629 -0.715
606 HH12 ARG 84 HH12 ARG 84 0.591 11.952 -0.343
607 HH21 ARG 84 HH21 ARG 84 2.996 13.871 1.339
608 HH22 ARG 84 HH22 ARG 84 1.343 13.769 0.809
609 H CYS 85 H CYS 85 7.505 6.780 1.782
610 HA CYS 85 HA CYS 85 8.111 8.850 3.716
611 HB2 CYS 85 HB2 CYS 85 7.984 5.823 4.073
612 HB3 CYS 85 HB3 CYS 85 7.893 7.040 5.357
613 H VAL 86 H VAL 86 9.846 6.222 2.167
614 HA VAL 86 HA VAL 86 12.147 6.392 3.939
615 HB VAL 86 HB VAL 86 11.803 4.716 1.417
616 HG11 VAL 86 HG11 VAL 86 13.576 3.282 2.369
617 HG12 VAL 86 HG12 VAL 86 13.749 4.385 3.737
618 HG13 VAL 86 HG13 VAL 86 14.158 4.925 2.106
619 HG21 VAL 86 HG21 VAL 86 11.189 3.953 4.298
620 HG22 VAL 86 HG22 VAL 86 11.134 2.862 2.910
621 HG23 VAL 86 HG23 VAL 86 10.004 4.215 3.013
622 H VAL 87 H VAL 87 11.279 7.287 0.599
623 HA VAL 87 HA VAL 87 13.966 8.427 0.119
624 HB VAL 87 HB VAL 87 11.809 8.221 -2.027
625 HG11 VAL 87 HG11 VAL 87 13.716 8.058 -3.574
626 HG12 VAL 87 HG12 VAL 87 14.844 8.103 -2.217
627 HG13 VAL 87 HG13 VAL 87 13.838 9.509 -2.576
628 HG21 VAL 87 HG21 VAL 87 11.930 5.953 -1.066
629 HG22 VAL 87 HG22 VAL 87 13.678 5.926 -1.306
630 HG23 VAL 87 HG23 VAL 87 12.599 5.988 -2.699
631 H GLU 88 H GLU 88 11.563 9.643 1.755
632 HA GLU 88 HA GLU 88 11.061 12.115 0.381
633 HB2 GLU 88 HB2 GLU 88 10.147 12.975 2.471
634 HB3 GLU 88 HB3 GLU 88 9.525 11.374 2.130
635 HG2 GLU 88 HG2 GLU 88 9.874 11.312 4.414
636 HG3 GLU 88 HG3 GLU 88 11.319 10.528 3.788
637 H GLU 89 H GLU 89 11.913 14.250 1.080
638 HA GLU 89 HA GLU 89 14.809 14.005 0.789
639 HB2 GLU 89 HB2 GLU 89 12.899 16.359 0.472
640 HB3 GLU 89 HB3 GLU 89 14.614 16.405 0.068
641 HG2 GLU 89 HG2 GLU 89 14.328 14.838 -1.730
642 HG3 GLU 89 HG3 GLU 89 12.685 14.450 -1.213
643 H VAL 90 H VAL 90 14.302 13.400 3.351
644 HA VAL 90 HA VAL 90 14.598 13.827 5.524
645 HB VAL 90 HB VAL 90 16.872 13.513 4.650
646 HG11 VAL 90 HG11 VAL 90 17.203 16.519 4.643
647 HG12 VAL 90 HG12 VAL 90 17.134 15.480 3.223
648 HG13 VAL 90 HG13 VAL 90 18.477 15.328 4.357
649 HG21 VAL 90 HG21 VAL 90 16.514 13.653 7.059
650 HG22 VAL 90 HG22 VAL 90 16.784 15.398 7.021
651 HG23 VAL 90 HG23 VAL 90 18.099 14.289 6.621
652 H SER 91 H SER 91 12.610 15.138 5.422
653 HA SER 91 HA SER 91 12.646 17.986 5.418
654 HB2 SER 91 HB2 SER 91 10.279 17.801 6.182
655 HB3 SER 91 HB3 SER 91 10.607 16.709 4.836
656 HG SER 91 HG SER 91 10.230 15.045 6.084
657 H LYS 92 H LYS 92 13.365 15.655 7.825
658 HA LYS 92 HA LYS 92 13.922 17.744 9.802
659 HB2 LYS 92 HB2 LYS 92 11.725 16.810 10.435
660 HB3 LYS 92 HB3 LYS 92 12.383 15.177 10.395
661 HG2 LYS 92 HG2 LYS 92 13.910 15.791 12.285
662 HG3 LYS 92 HG3 LYS 92 13.145 17.383 12.349
663 HD2 LYS 92 HD2 LYS 92 12.197 15.854 14.062
664 HD3 LYS 92 HD3 LYS 92 10.974 16.342 12.885
665 HE2 LYS 92 HE2 LYS 92 11.323 14.182 11.680
666 HE3 LYS 92 HE3 LYS 92 12.473 13.703 12.930
667 HZ1 LYS 92 HZ1 LYS 92 10.713 13.810 14.552
668 HZ2 LYS 92 HZ2 LYS 92 10.287 12.762 13.300
669 HZ3 LYS 92 HZ3 LYS 92 9.603 14.306 13.382
670 HA PRO 93 HA PRO 93 17.619 14.946 9.469
671 HB2 PRO 93 HB2 PRO 93 19.082 17.487 10.041
672 HB3 PRO 93 HB3 PRO 93 19.303 16.344 8.700
673 HG2 PRO 93 HG2 PRO 93 18.231 18.779 8.293
674 HG3 PRO 93 HG3 PRO 93 17.691 17.356 7.368
675 HD2 PRO 93 HD2 PRO 93 16.369 18.670 9.746
676 HD3 PRO 93 HD3 PRO 93 15.640 18.076 8.234
677 H GLN 94 H GLN 94 16.867 13.978 11.417
678 HA GLN 94 HA GLN 94 18.267 14.763 13.823
679 HB2 GLN 94 HB2 GLN 94 16.233 16.171 14.012
680 HB3 GLN 94 HB3 GLN 94 15.208 14.754 13.810
681 HG2 GLN 94 HG2 GLN 94 16.143 13.830 15.932
682 HG3 GLN 94 HG3 GLN 94 17.064 15.317 16.143
683 HE21 GLN 94 HE21 GLN 94 15.951 17.225 16.712
684 HE22 GLN 94 HE22 GLN 94 14.332 17.200 17.314
Start of MODEL 13
1 H1 SER 1 H1 SER 1 26.102 68.852 -55.402
2 H2 SER 1 H2 SER 1 25.438 68.122 -54.036
3 H3 SER 1 H3 SER 1 26.667 69.269 -53.867
4 HA SER 1 HA SER 1 24.539 70.182 -53.290
5 HB2 SER 1 HB2 SER 1 25.608 71.350 -55.901
6 HB3 SER 1 HB3 SER 1 24.730 72.223 -54.638
7 HG SER 1 HG SER 1 27.326 71.897 -54.837
8 H HIS 2 H HIS 2 23.059 68.370 -53.684
9 HA HIS 2 HA HIS 2 21.200 68.938 -55.899
10 HB2 HIS 2 HB2 HIS 2 22.542 66.986 -56.641
11 HB3 HIS 2 HB3 HIS 2 22.185 66.141 -55.138
12 HD2 HIS 2 HD2 HIS 2 20.414 67.109 -58.504
13 HE1 HIS 2 HE1 HIS 2 17.980 64.372 -56.393
14 HE2 HIS 2 HE2 HIS 2 18.380 65.511 -58.618
15 H MET 3 H MET 3 19.097 68.873 -55.279
16 HA MET 3 HA MET 3 18.462 68.709 -52.470
17 HB2 MET 3 HB2 MET 3 16.643 69.183 -54.869
18 HB3 MET 3 HB3 MET 3 16.162 69.350 -53.183
19 HG2 MET 3 HG2 MET 3 16.557 71.541 -54.042
20 HG3 MET 3 HG3 MET 3 17.893 71.166 -52.957
21 HE1 MET 3 HE1 MET 3 19.543 73.411 -55.765
22 HE2 MET 3 HE2 MET 3 19.193 73.274 -54.041
23 HE3 MET 3 HE3 MET 3 17.884 73.559 -55.190
24 H SER 4 H SER 4 18.828 66.548 -51.933
25 HA SER 4 HA SER 4 16.904 64.557 -53.013
26 HB2 SER 4 HB2 SER 4 19.252 64.077 -53.698
27 HB3 SER 4 HB3 SER 4 19.736 64.037 -52.001
28 HG SER 4 HG SER 4 18.015 62.284 -53.391
29 H GLY 5 H GLY 5 15.824 63.278 -51.530
30 HA2 GLY 5 HA2 GLY 5 15.821 64.120 -48.716
31 HA3 GLY 5 HA3 GLY 5 14.671 63.049 -49.504
32 H GLY 6 H GLY 6 15.726 60.947 -50.352
33 HA2 GLY 6 HA2 GLY 6 16.774 58.948 -49.964
34 HA3 GLY 6 HA3 GLY 6 18.011 59.833 -49.082
35 H SER 7 H SER 7 14.541 59.643 -48.340
36 HA SER 7 HA SER 7 15.027 57.975 -45.972
37 HB2 SER 7 HB2 SER 7 13.696 59.661 -44.575
38 HB3 SER 7 HB3 SER 7 15.316 60.176 -45.043
39 HG SER 7 HG SER 7 14.029 61.874 -45.492
40 HA PRO 8 HA PRO 8 11.083 56.498 -47.771
41 HB2 PRO 8 HB2 PRO 8 10.944 54.125 -46.387
42 HB3 PRO 8 HB3 PRO 8 12.001 54.357 -47.797
43 HG2 PRO 8 HG2 PRO 8 12.708 54.413 -44.884
44 HG3 PRO 8 HG3 PRO 8 13.606 53.713 -46.248
45 HD2 PRO 8 HD2 PRO 8 14.222 56.151 -45.132
46 HD3 PRO 8 HD3 PRO 8 14.575 55.731 -46.822
47 H LEU 9 H LEU 9 10.074 58.329 -46.699
48 HA LEU 9 HA LEU 9 9.003 58.064 -44.009
49 HB2 LEU 9 HB2 LEU 9 8.460 60.159 -46.152
50 HB3 LEU 9 HB3 LEU 9 7.980 60.276 -44.465
51 HG LEU 9 HG LEU 9 10.861 60.245 -45.472
52 HD11 LEU 9 HD11 LEU 9 9.734 62.315 -46.105
53 HD12 LEU 9 HD12 LEU 9 10.929 62.618 -44.847
54 HD13 LEU 9 HD13 LEU 9 9.210 62.573 -44.437
55 HD21 LEU 9 HD21 LEU 9 9.791 60.663 -42.657
56 HD22 LEU 9 HD22 LEU 9 11.474 60.853 -43.160
57 HD23 LEU 9 HD23 LEU 9 10.709 59.269 -43.238
58 H ALA 10 H ALA 10 7.414 56.571 -43.788
59 HA ALA 10 HA ALA 10 4.961 56.704 -45.372
60 HB1 ALA 10 HB1 ALA 10 5.078 54.358 -46.131
61 HB2 ALA 10 HB2 ALA 10 6.692 54.197 -45.435
62 HB3 ALA 10 HB3 ALA 10 6.422 55.291 -46.795
63 H THR 11 H THR 11 3.396 54.947 -44.606
64 HA THR 11 HA THR 11 3.379 54.779 -41.700
65 HB THR 11 HB THR 11 1.372 53.612 -43.691
66 HG1 THR 11 HG1 THR 11 1.922 56.152 -43.230
67 HG21 THR 11 HG21 THR 11 -0.221 53.723 -41.800
68 HG22 THR 11 HG22 THR 11 1.060 54.317 -40.742
69 HG23 THR 11 HG23 THR 11 1.149 52.682 -41.401
70 H GLY 12 H GLY 12 5.202 53.483 -41.361
71 HA2 GLY 12 HA2 GLY 12 5.509 50.857 -42.614
72 HA3 GLY 12 HA3 GLY 12 6.640 51.665 -41.542
73 H THR 13 H THR 13 3.648 51.813 -40.111
74 HA THR 13 HA THR 13 4.271 49.674 -38.232
75 HB THR 13 HB THR 13 3.580 51.882 -37.355
76 HG1 THR 13 HG1 THR 13 2.446 50.989 -35.765
77 HG21 THR 13 HG21 THR 13 2.008 52.602 -39.117
78 HG22 THR 13 HG22 THR 13 1.235 52.657 -37.530
79 HG23 THR 13 HG23 THR 13 0.879 51.332 -38.639
80 H THR 14 H THR 14 2.948 47.907 -37.826
81 HA THR 14 HA THR 14 0.521 47.390 -39.347
82 HB THR 14 HB THR 14 2.880 45.447 -39.573
83 HG1 THR 14 HG1 THR 14 1.945 47.473 -41.315
84 HG21 THR 14 HG21 THR 14 1.488 44.310 -41.267
85 HG22 THR 14 HG22 THR 14 0.188 45.472 -40.999
86 HG23 THR 14 HG23 THR 14 0.652 44.356 -39.711
87 H ALA 15 H ALA 15 -0.504 47.362 -37.314
88 HA ALA 15 HA ALA 15 0.331 45.447 -35.250
89 HB1 ALA 15 HB1 ALA 15 -0.358 47.702 -34.552
90 HB2 ALA 15 HB2 ALA 15 -1.437 46.481 -33.877
91 HB3 ALA 15 HB3 ALA 15 -1.956 47.454 -35.257
92 H ASN 16 H ASN 16 -0.330 43.392 -35.486
93 HA ASN 16 HA ASN 16 -3.084 42.720 -36.237
94 HB2 ASN 16 HB2 ASN 16 -1.888 42.750 -38.394
95 HB3 ASN 16 HB3 ASN 16 -0.625 41.713 -37.744
96 HD21 ASN 16 HD21 ASN 16 -0.946 40.174 -39.352
97 HD22 ASN 16 HD22 ASN 16 -2.323 39.136 -39.390
98 H THR 17 H THR 17 -3.226 42.100 -34.026
99 HA THR 17 HA THR 17 -2.185 39.401 -33.453
100 HB THR 17 HB THR 17 -1.877 40.197 -30.990
101 HG1 THR 17 HG1 THR 17 -1.489 42.752 -32.171
102 HG21 THR 17 HG21 THR 17 0.077 39.605 -32.383
103 HG22 THR 17 HG22 THR 17 0.441 40.980 -31.337
104 HG23 THR 17 HG23 THR 17 0.107 41.239 -33.052
105 H ARG 18 H ARG 18 -4.018 38.263 -33.378
106 HA ARG 18 HA ARG 18 -6.345 39.173 -31.789
107 HB2 ARG 18 HB2 ARG 18 -6.883 39.754 -34.090
108 HB3 ARG 18 HB3 ARG 18 -6.336 38.187 -34.678
109 HG2 ARG 18 HG2 ARG 18 -8.240 37.114 -33.448
110 HG3 ARG 18 HG3 ARG 18 -8.811 38.722 -32.994
111 HD2 ARG 18 HD2 ARG 18 -9.238 39.292 -35.308
112 HD3 ARG 18 HD3 ARG 18 -8.443 37.813 -35.871
113 HE ARG 18 HE ARG 18 -10.680 37.326 -34.120
114 HH11 ARG 18 HH11 ARG 18 -9.801 37.891 -37.485
115 HH12 ARG 18 HH12 ARG 18 -11.218 37.113 -38.107
116 HH21 ARG 18 HH21 ARG 18 -12.502 36.287 -34.956
117 HH22 ARG 18 HH22 ARG 18 -12.742 36.208 -36.674
118 H GLY 19 H GLY 19 -7.216 37.570 -30.568
119 HA2 GLY 19 HA2 GLY 19 -7.920 35.076 -30.928
120 HA3 GLY 19 HA3 GLY 19 -6.187 34.813 -30.786
121 H ALA 20 H ALA 20 -9.089 35.084 -29.079
122 HA ALA 20 HA ALA 20 -7.741 34.741 -26.529
123 HB1 ALA 20 HB1 ALA 20 -8.947 36.548 -25.380
124 HB2 ALA 20 HB2 ALA 20 -9.677 37.064 -26.901
125 HB3 ALA 20 HB3 ALA 20 -7.933 37.211 -26.663
126 H SER 21 H SER 21 -8.667 32.661 -26.749
127 HA SER 21 HA SER 21 -11.360 32.435 -25.635
128 HB2 SER 21 HB2 SER 21 -10.601 31.038 -28.251
129 HB3 SER 21 HB3 SER 21 -12.086 30.764 -27.339
130 HG SER 21 HG SER 21 -12.349 33.167 -27.636
131 H GLN 22 H GLN 22 -10.520 31.527 -23.772
132 HA GLN 22 HA GLN 22 -8.977 29.008 -23.943
133 HB2 GLN 22 HB2 GLN 22 -9.558 30.886 -21.609
134 HB3 GLN 22 HB3 GLN 22 -8.967 29.251 -21.347
135 HG2 GLN 22 HG2 GLN 22 -7.070 30.666 -21.225
136 HG3 GLN 22 HG3 GLN 22 -6.958 29.820 -22.762
137 HE21 GLN 22 HE21 GLN 22 -7.241 31.009 -24.700
138 HE22 GLN 22 HE22 GLN 22 -7.149 32.735 -24.721
139 H LYS 23 H LYS 23 -9.660 27.387 -22.188
140 HA LYS 23 HA LYS 23 -12.335 27.219 -21.251
141 HB2 LYS 23 HB2 LYS 23 -13.088 25.243 -22.554
142 HB3 LYS 23 HB3 LYS 23 -12.840 26.634 -23.602
143 HG2 LYS 23 HG2 LYS 23 -10.689 25.698 -24.365
144 HG3 LYS 23 HG3 LYS 23 -10.902 24.311 -23.288
145 HD2 LYS 23 HD2 LYS 23 -12.971 23.685 -24.546
146 HD3 LYS 23 HD3 LYS 23 -12.707 25.051 -25.635
147 HE2 LYS 23 HE2 LYS 23 -10.600 24.053 -26.403
148 HE3 LYS 23 HE3 LYS 23 -10.799 22.715 -25.269
149 HZ1 LYS 23 HZ1 LYS 23 -11.468 22.116 -27.515
150 HZ2 LYS 23 HZ2 LYS 23 -12.635 23.341 -27.522
151 HZ3 LYS 23 HZ3 LYS 23 -12.776 22.042 -26.452
152 H LYS 24 H LYS 24 -12.398 24.338 -20.982
153 HA LYS 24 HA LYS 24 -11.532 22.514 -19.993
154 HB2 LYS 24 HB2 LYS 24 -9.358 23.172 -21.265
155 HB3 LYS 24 HB3 LYS 24 -8.797 23.839 -19.746
156 HG2 LYS 24 HG2 LYS 24 -9.554 20.926 -20.168
157 HG3 LYS 24 HG3 LYS 24 -7.908 21.553 -20.289
158 HD2 LYS 24 HD2 LYS 24 -8.082 22.299 -17.891
159 HD3 LYS 24 HD3 LYS 24 -9.664 21.515 -17.796
160 HE2 LYS 24 HE2 LYS 24 -8.546 19.347 -18.388
161 HE3 LYS 24 HE3 LYS 24 -6.985 20.175 -18.302
162 HZ1 LYS 24 HZ1 LYS 24 -8.939 19.825 -16.096
163 HZ2 LYS 24 HZ2 LYS 24 -7.528 20.749 -15.979
164 HZ3 LYS 24 HZ3 LYS 24 -7.425 19.081 -16.234
165 H GLY 25 H GLY 25 -12.697 22.556 -18.171
166 HA2 GLY 25 HA2 GLY 25 -11.801 22.948 -15.625
167 HA3 GLY 25 HA3 GLY 25 -12.394 24.540 -16.088
168 H GLY 26 H GLY 26 -14.421 23.021 -17.868
169 HA2 GLY 26 HA2 GLY 26 -16.583 22.901 -15.940
170 HA3 GLY 26 HA3 GLY 26 -16.685 22.666 -17.675
171 H GLU 27 H GLU 27 -14.300 20.678 -16.334
172 HA GLU 27 HA GLU 27 -15.816 18.245 -16.567
173 HB2 GLU 27 HB2 GLU 27 -13.675 17.173 -15.757
174 HB3 GLU 27 HB3 GLU 27 -13.463 18.208 -17.167
175 HG2 GLU 27 HG2 GLU 27 -12.619 20.022 -15.711
176 HG3 GLU 27 HG3 GLU 27 -12.806 18.974 -14.303
177 HA PRO 28 HA PRO 28 -16.837 18.277 -12.094
178 HB2 PRO 28 HB2 PRO 28 -19.014 16.642 -12.231
179 HB3 PRO 28 HB3 PRO 28 -19.053 18.311 -12.833
180 HG2 PRO 28 HG2 PRO 28 -19.095 15.798 -14.376
181 HG3 PRO 28 HG3 PRO 28 -19.563 17.432 -14.880
182 HD2 PRO 28 HD2 PRO 28 -17.023 16.044 -15.359
183 HD3 PRO 28 HD3 PRO 28 -17.592 17.587 -16.034
184 HA PRO 29 HA PRO 29 -14.763 14.199 -11.277
185 HB2 PRO 29 HB2 PRO 29 -13.252 15.534 -9.147
186 HB3 PRO 29 HB3 PRO 29 -12.634 14.816 -10.644
187 HG2 PRO 29 HG2 PRO 29 -12.593 17.514 -10.141
188 HG3 PRO 29 HG3 PRO 29 -12.636 16.814 -11.777
189 HD2 PRO 29 HD2 PRO 29 -14.914 17.943 -10.151
190 HD3 PRO 29 HD3 PRO 29 -14.554 18.145 -11.879
191 H ALA 30 H ALA 30 -15.476 12.774 -9.719
192 HA ALA 30 HA ALA 30 -17.694 13.553 -8.079
193 HB1 ALA 30 HB1 ALA 30 -17.819 11.181 -7.450
194 HB2 ALA 30 HB2 ALA 30 -16.230 10.888 -8.167
195 HB3 ALA 30 HB3 ALA 30 -17.588 11.359 -9.192
196 H LEU 31 H LEU 31 -14.317 13.388 -7.487
197 HA LEU 31 HA LEU 31 -14.539 13.043 -4.595
198 HB2 LEU 31 HB2 LEU 31 -11.986 13.124 -4.707
199 HB3 LEU 31 HB3 LEU 31 -12.782 11.772 -5.483
200 HG LEU 31 HG LEU 31 -12.430 12.917 -7.724
201 HD11 LEU 31 HD11 LEU 31 -10.778 14.705 -7.934
202 HD12 LEU 31 HD12 LEU 31 -10.656 14.820 -6.177
203 HD13 LEU 31 HD13 LEU 31 -12.167 15.233 -6.988
204 HD21 LEU 31 HD21 LEU 31 -10.061 12.318 -7.912
205 HD22 LEU 31 HD22 LEU 31 -10.952 11.119 -6.978
206 HD23 LEU 31 HD23 LEU 31 -9.915 12.286 -6.151
207 H ILE 32 H ILE 32 -15.257 15.676 -6.254
208 HA ILE 32 HA ILE 32 -13.669 17.681 -4.963
209 HB ILE 32 HB ILE 32 -15.466 19.308 -5.628
210 HG12 ILE 32 HG12 ILE 32 -16.847 16.809 -6.730
211 HG13 ILE 32 HG13 ILE 32 -17.444 17.847 -5.441
212 HG21 ILE 32 HG21 ILE 32 -14.499 17.473 -7.853
213 HG22 ILE 32 HG22 ILE 32 -13.595 18.813 -7.140
214 HG23 ILE 32 HG23 ILE 32 -15.069 19.134 -8.054
215 HD11 ILE 32 HD11 ILE 32 -18.638 18.248 -7.496
216 HD12 ILE 32 HD12 ILE 32 -17.139 18.622 -8.345
217 HD13 ILE 32 HD13 ILE 32 -17.713 19.679 -7.051
218 H VAL 33 H VAL 33 -16.356 15.800 -3.972
219 HA VAL 33 HA VAL 33 -16.544 17.136 -1.357
220 HB VAL 33 HB VAL 33 -17.862 14.523 -2.264
221 HG11 VAL 33 HG11 VAL 33 -19.407 14.892 -0.359
222 HG12 VAL 33 HG12 VAL 33 -18.509 16.344 0.095
223 HG13 VAL 33 HG13 VAL 33 -17.734 14.759 0.189
224 HG21 VAL 33 HG21 VAL 33 -19.059 17.319 -2.306
225 HG22 VAL 33 HG22 VAL 33 -19.928 15.821 -2.649
226 HG23 VAL 33 HG23 VAL 33 -18.627 16.349 -3.718
227 H ASP 34 H ASP 34 -14.940 16.644 0.055
228 HA ASP 34 HA ASP 34 -13.081 15.802 0.991
229 HB2 ASP 34 HB2 ASP 34 -14.546 13.864 1.611
230 HB3 ASP 34 HB3 ASP 34 -14.112 13.069 0.107
231 HA PRO 35 HA PRO 35 -10.796 15.565 -3.019
232 HB2 PRO 35 HB2 PRO 35 -9.397 17.867 -2.827
233 HB3 PRO 35 HB3 PRO 35 -11.132 17.877 -3.203
234 HG2 PRO 35 HG2 PRO 35 -9.766 18.540 -0.630
235 HG3 PRO 35 HG3 PRO 35 -11.222 19.254 -1.353
236 HD2 PRO 35 HD2 PRO 35 -11.168 17.249 0.659
237 HD3 PRO 35 HD3 PRO 35 -12.589 17.766 -0.272
238 H LEU 36 H LEU 36 -9.746 15.465 0.266
239 HA LEU 36 HA LEU 36 -6.889 15.287 -0.322
240 HB2 LEU 36 HB2 LEU 36 -8.070 16.366 1.797
241 HB3 LEU 36 HB3 LEU 36 -8.101 14.727 2.397
242 HG LEU 36 HG LEU 36 -6.199 16.054 3.299
243 HD11 LEU 36 HD11 LEU 36 -4.393 14.450 2.968
244 HD12 LEU 36 HD12 LEU 36 -5.240 13.755 1.582
245 HD13 LEU 36 HD13 LEU 36 -5.937 13.627 3.197
246 HD21 LEU 36 HD21 LEU 36 -5.163 16.150 0.448
247 HD22 LEU 36 HD22 LEU 36 -4.327 16.740 1.888
248 HD23 LEU 36 HD23 LEU 36 -5.819 17.513 1.360
249 H MET 37 H MET 37 -8.843 13.121 1.781
250 HA MET 37 HA MET 37 -8.780 10.859 0.094
251 HB2 MET 37 HB2 MET 37 -7.210 9.372 1.262
252 HB3 MET 37 HB3 MET 37 -6.358 10.781 0.655
253 HG2 MET 37 HG2 MET 37 -6.285 11.740 2.902
254 HG3 MET 37 HG3 MET 37 -7.217 10.382 3.531
255 HE1 MET 37 HE1 MET 37 -4.537 11.293 4.867
256 HE2 MET 37 HE2 MET 37 -3.712 9.754 5.106
257 HE3 MET 37 HE3 MET 37 -5.443 9.880 5.418
258 H LYS 38 H LYS 38 -10.629 9.923 0.655
259 HA LYS 38 HA LYS 38 -11.598 9.723 3.415
260 HB2 LYS 38 HB2 LYS 38 -13.163 10.180 1.525
261 HB3 LYS 38 HB3 LYS 38 -12.653 8.691 0.742
262 HG2 LYS 38 HG2 LYS 38 -13.546 7.644 3.076
263 HG3 LYS 38 HG3 LYS 38 -14.554 9.094 3.026
264 HD2 LYS 38 HD2 LYS 38 -15.558 8.433 0.939
265 HD3 LYS 38 HD3 LYS 38 -14.343 7.182 0.663
266 HE2 LYS 38 HE2 LYS 38 -15.241 5.941 2.639
267 HE3 LYS 38 HE3 LYS 38 -16.504 7.162 2.792
268 HZ1 LYS 38 HZ1 LYS 38 -17.255 5.194 1.594
269 HZ2 LYS 38 HZ2 LYS 38 -16.074 5.436 0.417
270 HZ3 LYS 38 HZ3 LYS 38 -17.312 6.567 0.611
271 H TYR 39 H TYR 39 -9.105 8.614 3.236
272 HA TYR 39 HA TYR 39 -7.679 6.884 3.045
273 HB2 TYR 39 HB2 TYR 39 -10.112 5.330 4.034
274 HB3 TYR 39 HB3 TYR 39 -8.472 4.680 3.991
275 HD1 TYR 39 HD2 TYR 39 -6.703 5.635 5.490
276 HD2 TYR 39 HD1 TYR 39 -10.772 6.918 5.799
277 HE1 TYR 39 HE2 TYR 39 -6.216 6.646 7.673
278 HE2 TYR 39 HE1 TYR 39 -10.282 7.938 7.980
279 HH TYR 39 HH TYR 39 -7.124 8.434 9.117
280 H ILE 40 H ILE 40 -9.000 7.725 0.714
281 HA ILE 40 HA ILE 40 -9.764 5.480 -0.917
282 HB ILE 40 HB ILE 40 -9.299 8.434 -1.493
283 HG12 ILE 40 HG12 ILE 40 -11.820 6.711 -1.553
284 HG13 ILE 40 HG13 ILE 40 -11.382 7.844 -0.280
285 HG21 ILE 40 HG21 ILE 40 -10.102 8.077 -3.800
286 HG22 ILE 40 HG22 ILE 40 -10.113 6.334 -3.531
287 HG23 ILE 40 HG23 ILE 40 -8.587 7.221 -3.506
288 HD11 ILE 40 HD11 ILE 40 -12.097 8.534 -3.130
289 HD12 ILE 40 HD12 ILE 40 -11.572 9.692 -1.906
290 HD13 ILE 40 HD13 ILE 40 -13.072 8.797 -1.685
291 H CYS 41 H CYS 41 -8.426 4.198 -1.954
292 HA CYS 41 HA CYS 41 -5.664 4.188 -1.943
293 HB2 CYS 41 HB2 CYS 41 -7.032 2.208 -2.427
294 HB3 CYS 41 HB3 CYS 41 -7.558 2.916 -3.951
295 H HIS 42 H HIS 42 -4.317 5.493 -2.847
296 HA HIS 42 HA HIS 42 -4.988 7.665 -4.501
297 HB2 HIS 42 HB2 HIS 42 -3.205 7.554 -2.701
298 HB3 HIS 42 HB3 HIS 42 -2.210 6.621 -3.810
299 HD1 HIS 42 HD1 HIS 42 -0.397 8.114 -4.547
300 HD2 HIS 42 HD2 HIS 42 -4.033 10.125 -4.401
301 HE1 HIS 42 HE1 HIS 42 0.093 10.442 -5.325
302 HE2 HIS 42 HE2 HIS 42 -2.134 11.612 -5.320
303 H ILE 43 H ILE 43 -4.500 4.517 -5.466
304 HA ILE 43 HA ILE 43 -3.608 5.245 -8.192
305 HB ILE 43 HB ILE 43 -3.429 2.542 -6.762
306 HG12 ILE 43 HG12 ILE 43 -1.243 4.532 -7.550
307 HG13 ILE 43 HG13 ILE 43 -1.783 4.189 -5.911
308 HG21 ILE 43 HG21 ILE 43 -2.450 3.300 -9.544
309 HG22 ILE 43 HG22 ILE 43 -3.816 2.245 -9.187
310 HG23 ILE 43 HG23 ILE 43 -2.184 1.746 -8.744
311 HD11 ILE 43 HD11 ILE 43 -0.333 2.292 -7.756
312 HD12 ILE 43 HD12 ILE 43 -0.936 1.887 -6.147
313 HD13 ILE 43 HD13 ILE 43 0.316 3.112 -6.335
314 H CYS 44 H CYS 44 -6.157 3.734 -6.258
315 HA CYS 44 HA CYS 44 -7.477 2.465 -8.535
316 HB2 CYS 44 HB2 CYS 44 -8.263 2.571 -5.600
317 HB3 CYS 44 HB3 CYS 44 -9.128 1.678 -6.840
318 H ASN 45 H ASN 45 -7.742 5.390 -6.697
319 HA ASN 45 HA ASN 45 -8.950 7.286 -6.928
320 HB2 ASN 45 HB2 ASN 45 -8.988 6.896 -9.385
321 HB3 ASN 45 HB3 ASN 45 -10.444 5.927 -9.207
322 HD21 ASN 45 HD21 ASN 45 -11.728 7.225 -10.498
323 HD22 ASN 45 HD22 ASN 45 -12.205 8.833 -10.076
324 H ARG 46 H ARG 46 -10.529 4.260 -6.449
325 HA ARG 46 HA ARG 46 -13.039 5.480 -5.497
326 HB2 ARG 46 HB2 ARG 46 -12.395 2.544 -6.053
327 HB3 ARG 46 HB3 ARG 46 -13.981 3.209 -5.663
328 HG2 ARG 46 HG2 ARG 46 -12.361 3.740 -8.182
329 HG3 ARG 46 HG3 ARG 46 -13.842 2.782 -8.056
330 HD2 ARG 46 HD2 ARG 46 -15.112 4.794 -7.447
331 HD3 ARG 46 HD3 ARG 46 -13.633 5.759 -7.477
332 HE ARG 46 HE ARG 46 -14.266 4.412 -9.965
333 HH11 ARG 46 HH11 ARG 46 -14.712 7.364 -8.072
334 HH12 ARG 46 HH12 ARG 46 -15.079 8.337 -9.459
335 HH21 ARG 46 HH21 ARG 46 -14.757 5.710 -11.760
336 HH22 ARG 46 HH22 ARG 46 -15.103 7.399 -11.555
337 H GLY 47 H GLY 47 -10.453 3.247 -4.484
338 HA2 GLY 47 HA2 GLY 47 -9.579 3.059 -2.296
339 HA3 GLY 47 HA3 GLY 47 -11.037 3.800 -1.645
340 H ASP 48 H ASP 48 -12.911 2.550 -1.401
341 HA ASP 48 HA ASP 48 -14.251 0.787 -1.059
342 HB2 ASP 48 HB2 ASP 48 -14.274 0.663 -3.484
343 HB3 ASP 48 HB3 ASP 48 -12.777 -0.261 -3.499
344 H VAL 49 H VAL 49 -11.473 -1.209 -2.114
345 HA VAL 49 HA VAL 49 -11.901 -3.299 -0.299
346 HB VAL 49 HB VAL 49 -9.280 -2.607 -1.717
347 HG11 VAL 49 HG11 VAL 49 -10.238 -5.264 -0.574
348 HG12 VAL 49 HG12 VAL 49 -8.939 -4.258 0.074
349 HG13 VAL 49 HG13 VAL 49 -8.754 -5.023 -1.505
350 HG21 VAL 49 HG21 VAL 49 -10.020 -4.148 -3.504
351 HG22 VAL 49 HG22 VAL 49 -11.136 -2.791 -3.331
352 HG23 VAL 49 HG23 VAL 49 -11.569 -4.374 -2.680
353 H GLU 50 H GLU 50 -11.993 -2.762 1.795
354 HA GLU 50 HA GLU 50 -10.280 -0.792 3.027
355 HB2 GLU 50 HB2 GLU 50 -12.749 -1.013 3.457
356 HB3 GLU 50 HB3 GLU 50 -12.440 -2.546 4.262
357 HG2 GLU 50 HG2 GLU 50 -11.127 -1.398 5.991
358 HG3 GLU 50 HG3 GLU 50 -11.359 0.145 5.168
359 H GLU 51 H GLU 51 -10.597 -4.296 3.038
360 HA GLU 51 HA GLU 51 -8.946 -4.801 5.304
361 HB2 GLU 51 HB2 GLU 51 -9.832 -6.623 3.039
362 HB3 GLU 51 HB3 GLU 51 -9.055 -7.174 4.523
363 HG2 GLU 51 HG2 GLU 51 -11.725 -5.727 4.378
364 HG3 GLU 51 HG3 GLU 51 -11.518 -7.470 4.558
365 H SER 52 H SER 52 -8.135 -4.264 1.909
366 HA SER 52 HA SER 52 -5.301 -4.967 2.473
367 HB2 SER 52 HB2 SER 52 -6.654 -4.599 -0.236
368 HB3 SER 52 HB3 SER 52 -4.983 -5.105 0.040
369 HG SER 52 HG SER 52 -6.724 -6.762 -0.355
370 H MET 53 H MET 53 -7.193 -2.447 2.843
371 HA MET 53 HA MET 53 -5.866 -0.349 1.380
372 HB2 MET 53 HB2 MET 53 -8.267 -0.248 2.017
373 HB3 MET 53 HB3 MET 53 -7.823 -0.232 3.713
374 HG2 MET 53 HG2 MET 53 -6.773 1.959 3.431
375 HG3 MET 53 HG3 MET 53 -7.156 1.934 1.706
376 HE1 MET 53 HE1 MET 53 -9.667 2.082 0.729
377 HE2 MET 53 HE2 MET 53 -11.098 2.101 1.761
378 HE3 MET 53 HE3 MET 53 -10.108 0.646 1.657
379 H LEU 54 H LEU 54 -3.780 -0.166 1.908
380 HA LEU 54 HA LEU 54 -2.754 -0.159 4.628
381 HB2 LEU 54 HB2 LEU 54 -1.400 0.437 1.959
382 HB3 LEU 54 HB3 LEU 54 -0.571 0.262 3.502
383 HG LEU 54 HG LEU 54 -2.065 -1.947 2.029
384 HD11 LEU 54 HD11 LEU 54 0.911 -1.490 2.413
385 HD12 LEU 54 HD12 LEU 54 0.009 -1.342 0.903
386 HD13 LEU 54 HD13 LEU 54 0.176 -2.914 1.676
387 HD21 LEU 54 HD21 LEU 54 -0.492 -2.051 4.628
388 HD22 LEU 54 HD22 LEU 54 -1.114 -3.452 3.751
389 HD23 LEU 54 HD23 LEU 54 -2.235 -2.280 4.438
390 H LEU 55 H LEU 55 -2.302 1.667 5.774
391 HA LEU 55 HA LEU 55 -2.458 4.300 4.417
392 HB2 LEU 55 HB2 LEU 55 -4.291 3.759 6.120
393 HB3 LEU 55 HB3 LEU 55 -3.054 3.733 7.356
394 HG LEU 55 HG LEU 55 -4.432 5.859 7.243
395 HD11 LEU 55 HD11 LEU 55 -1.472 6.321 6.860
396 HD12 LEU 55 HD12 LEU 55 -2.277 5.908 8.376
397 HD13 LEU 55 HD13 LEU 55 -2.627 7.446 7.586
398 HD21 LEU 55 HD21 LEU 55 -4.669 6.033 4.814
399 HD22 LEU 55 HD22 LEU 55 -2.944 6.378 4.651
400 HD23 LEU 55 HD23 LEU 55 -3.999 7.512 5.497
401 H CYS 56 H CYS 56 -0.432 4.932 4.087
402 HA CYS 56 HA CYS 56 1.869 4.141 5.443
403 HB2 CYS 56 HB2 CYS 56 1.941 5.195 3.204
404 HB3 CYS 56 HB3 CYS 56 1.415 6.727 3.896
405 H ASP 57 H ASP 57 2.286 4.482 7.538
406 HA ASP 57 HA ASP 57 1.111 6.680 9.027
407 HB2 ASP 57 HB2 ASP 57 1.347 4.358 9.952
408 HB3 ASP 57 HB3 ASP 57 3.098 4.533 9.914
409 H GLY 58 H GLY 58 3.810 6.348 7.092
410 HA2 GLY 58 HA2 GLY 58 5.229 8.604 8.398
411 HA3 GLY 58 HA3 GLY 58 5.975 7.417 7.343
412 H CYS 59 H CYS 59 2.896 8.814 6.627
413 HA CYS 59 HA CYS 59 3.824 11.067 5.050
414 HB2 CYS 59 HB2 CYS 59 2.897 8.578 3.551
415 HB3 CYS 59 HB3 CYS 59 2.883 10.196 2.846
416 H ASP 60 H ASP 60 1.326 8.853 6.021
417 HA ASP 60 HA ASP 60 -0.893 8.779 6.093
418 HB2 ASP 60 HB2 ASP 60 -0.569 11.789 6.319
419 HB3 ASP 60 HB3 ASP 60 -2.161 11.029 6.348
420 H ASP 61 H ASP 61 -0.461 7.883 3.967
421 HA ASP 61 HA ASP 61 -2.421 9.012 2.116
422 HB2 ASP 61 HB2 ASP 61 0.048 9.574 1.343
423 HB3 ASP 61 HB3 ASP 61 0.160 7.874 0.947
424 H SER 62 H SER 62 -3.562 7.393 1.063
425 HA SER 62 HA SER 62 -3.282 4.703 2.254
426 HB2 SER 62 HB2 SER 62 -5.804 4.619 1.599
427 HB3 SER 62 HB3 SER 62 -5.332 5.658 2.945
428 HG SER 62 HG SER 62 -5.620 6.566 0.275
429 H TYR 63 H TYR 63 -2.722 3.096 0.969
430 HA TYR 63 HA TYR 63 -3.379 3.096 -1.919
431 HB2 TYR 63 HB2 TYR 63 -0.774 2.194 -0.585
432 HB3 TYR 63 HB3 TYR 63 -1.197 1.825 -2.252
433 HD1 TYR 63 HD1 TYR 63 -0.528 4.685 0.077
434 HD2 TYR 63 HD2 TYR 63 -0.676 3.374 -3.988
435 HE1 TYR 63 HE1 TYR 63 0.494 6.793 -0.629
436 HE2 TYR 63 HE2 TYR 63 0.348 5.490 -4.695
437 HH TYR 63 HH TYR 63 1.680 7.746 -2.436
438 H HIS 64 H HIS 64 -3.047 0.732 -2.740
439 HA HIS 64 HA HIS 64 -3.740 -1.271 -0.642
440 HB2 HIS 64 HB2 HIS 64 -4.242 -1.447 -3.642
441 HB3 HIS 64 HB3 HIS 64 -4.572 -2.731 -2.494
442 HD2 HIS 64 HD2 HIS 64 -6.283 -1.266 -0.264
443 HE1 HIS 64 HE1 HIS 64 -8.719 -0.066 -3.485
444 HE2 HIS 64 HE2 HIS 64 -8.647 -0.552 -1.012
445 H THR 65 H THR 65 -2.806 -3.329 -0.880
446 HA THR 65 HA THR 65 -0.038 -3.519 -1.374
447 HB THR 65 HB THR 65 -0.559 -6.048 -1.214
448 HG1 THR 65 HG1 THR 65 -2.759 -6.467 -0.520
449 HG21 THR 65 HG21 THR 65 -1.603 -4.256 1.020
450 HG22 THR 65 HG22 THR 65 0.081 -4.725 0.782
451 HG23 THR 65 HG23 THR 65 -1.121 -5.945 1.191
452 H PHE 66 H PHE 66 -2.871 -4.553 -3.260
453 HA PHE 66 HA PHE 66 -1.328 -5.763 -5.370
454 HB2 PHE 66 HB2 PHE 66 -3.565 -6.218 -6.412
455 HB3 PHE 66 HB3 PHE 66 -3.396 -6.836 -4.779
456 HD1 PHE 66 HD2 PHE 66 -5.113 -4.325 -6.892
457 HD2 PHE 66 HD1 PHE 66 -4.762 -5.952 -2.942
458 HE1 PHE 66 HE2 PHE 66 -7.228 -3.244 -6.250
459 HE2 PHE 66 HE1 PHE 66 -6.880 -4.870 -2.320
460 HZ PHE 66 HZ PHE 66 -8.114 -3.521 -3.971
461 H CYS 67 H CYS 67 -2.552 -2.557 -4.821
462 HA CYS 67 HA CYS 67 -2.752 -1.676 -7.528
463 HB2 CYS 67 HB2 CYS 67 -2.312 -0.135 -4.938
464 HB3 CYS 67 HB3 CYS 67 -2.629 0.629 -6.508
465 H LEU 68 H LEU 68 -0.167 -1.676 -5.136
466 HA LEU 68 HA LEU 68 1.840 -0.456 -6.782
467 HB2 LEU 68 HB2 LEU 68 2.102 -2.265 -4.345
468 HB3 LEU 68 HB3 LEU 68 3.415 -1.332 -5.048
469 HG LEU 68 HG LEU 68 0.934 -0.168 -3.707
470 HD11 LEU 68 HD11 LEU 68 2.440 -1.231 -2.105
471 HD12 LEU 68 HD12 LEU 68 2.446 0.519 -1.915
472 HD13 LEU 68 HD13 LEU 68 3.800 -0.282 -2.716
473 HD21 LEU 68 HD21 LEU 68 3.363 1.289 -4.821
474 HD22 LEU 68 HD22 LEU 68 2.036 2.022 -3.913
475 HD23 LEU 68 HD23 LEU 68 1.732 1.315 -5.496
476 H LEU 69 H LEU 69 3.485 -1.480 -8.028
477 HA LEU 69 HA LEU 69 3.361 -4.420 -8.237
478 HB2 LEU 69 HB2 LEU 69 3.912 -4.171 -10.727
479 HB3 LEU 69 HB3 LEU 69 2.269 -3.895 -10.196
480 HG LEU 69 HG LEU 69 2.850 -1.356 -10.290
481 HD11 LEU 69 HD11 LEU 69 5.283 -1.520 -10.497
482 HD12 LEU 69 HD12 LEU 69 4.583 -0.685 -11.880
483 HD13 LEU 69 HD13 LEU 69 5.111 -2.362 -12.039
484 HD21 LEU 69 HD21 LEU 69 1.313 -2.447 -11.828
485 HD22 LEU 69 HD22 LEU 69 2.660 -2.966 -12.845
486 HD23 LEU 69 HD23 LEU 69 2.287 -1.246 -12.677
487 HA PRO 70 HA PRO 70 4.569 -6.239 -8.657
488 HB2 PRO 70 HB2 PRO 70 6.187 -7.795 -7.068
489 HB3 PRO 70 HB3 PRO 70 6.597 -7.406 -8.753
490 HG2 PRO 70 HG2 PRO 70 7.603 -6.111 -6.232
491 HG3 PRO 70 HG3 PRO 70 8.509 -6.610 -7.678
492 HD2 PRO 70 HD2 PRO 70 7.756 -4.018 -7.267
493 HD3 PRO 70 HD3 PRO 70 7.894 -4.721 -8.894
494 HA PRO 71 HA PRO 71 1.988 -5.306 -5.177
495 HB2 PRO 71 HB2 PRO 71 0.422 -7.597 -5.041
496 HB3 PRO 71 HB3 PRO 71 0.255 -6.361 -6.305
497 HG2 PRO 71 HG2 PRO 71 1.734 -8.972 -6.420
498 HG3 PRO 71 HG3 PRO 71 0.638 -8.249 -7.621
499 HD2 PRO 71 HD2 PRO 71 3.309 -8.100 -7.910
500 HD3 PRO 71 HD3 PRO 71 2.259 -6.748 -8.399
501 H LEU 72 H LEU 72 1.769 -5.550 -2.976
502 HA LEU 72 HA LEU 72 3.747 -7.188 -1.621
503 HB2 LEU 72 HB2 LEU 72 1.709 -5.226 -0.491
504 HB3 LEU 72 HB3 LEU 72 3.013 -5.973 0.419
505 HG LEU 72 HG LEU 72 3.355 -4.002 -1.883
506 HD11 LEU 72 HD11 LEU 72 4.157 -2.422 -0.185
507 HD12 LEU 72 HD12 LEU 72 3.810 -3.592 1.093
508 HD13 LEU 72 HD13 LEU 72 2.494 -2.910 0.133
509 HD21 LEU 72 HD21 LEU 72 5.480 -5.278 -0.118
510 HD22 LEU 72 HD22 LEU 72 5.754 -4.005 -1.313
511 HD23 LEU 72 HD23 LEU 72 5.213 -5.597 -1.835
512 H THR 73 H THR 73 3.003 -9.287 -1.948
513 HA THR 73 HA THR 73 0.372 -10.213 -1.407
514 HB THR 73 HB THR 73 1.511 -12.519 -1.411
515 HG1 THR 73 HG1 THR 73 3.602 -12.507 -1.182
516 HG21 THR 73 HG21 THR 73 2.077 -10.683 -3.775
517 HG22 THR 73 HG22 THR 73 0.558 -11.533 -3.475
518 HG23 THR 73 HG23 THR 73 2.026 -12.447 -3.827
519 H SER 74 H SER 74 3.111 -9.629 0.655
520 HA SER 74 HA SER 74 1.676 -10.584 3.046
521 HB2 SER 74 HB2 SER 74 4.365 -9.173 2.847
522 HB3 SER 74 HB3 SER 74 3.689 -9.944 4.276
523 HG SER 74 HG SER 74 4.439 -11.217 1.859
524 H ILE 75 H ILE 75 0.141 -9.219 3.704
525 HA ILE 75 HA ILE 75 0.140 -6.379 3.101
526 HB ILE 75 HB ILE 75 -1.916 -7.995 4.687
527 HG12 ILE 75 HG12 ILE 75 -1.847 -7.394 1.695
528 HG13 ILE 75 HG13 ILE 75 -1.604 -8.972 2.434
529 HG21 ILE 75 HG21 ILE 75 -2.209 -5.302 3.284
530 HG22 ILE 75 HG22 ILE 75 -2.114 -5.549 5.029
531 HG23 ILE 75 HG23 ILE 75 -3.493 -6.175 4.125
532 HD11 ILE 75 HD11 ILE 75 -3.805 -8.804 1.492
533 HD12 ILE 75 HD12 ILE 75 -4.158 -7.365 2.445
534 HD13 ILE 75 HD13 ILE 75 -3.923 -8.922 3.245
535 HA PRO 76 HA PRO 76 2.101 -5.494 7.231
536 HB2 PRO 76 HB2 PRO 76 1.560 -2.685 6.260
537 HB3 PRO 76 HB3 PRO 76 3.050 -3.376 6.945
538 HG2 PRO 76 HG2 PRO 76 2.875 -2.895 4.343
539 HG3 PRO 76 HG3 PRO 76 3.694 -4.354 4.938
540 HD2 PRO 76 HD2 PRO 76 0.950 -4.094 3.721
541 HD3 PRO 76 HD3 PRO 76 2.170 -5.370 3.493
542 H LYS 77 H LYS 77 1.094 -5.097 9.162
543 HA LYS 77 HA LYS 77 -1.783 -4.896 9.177
544 HB2 LYS 77 HB2 LYS 77 -0.538 -6.429 10.721
545 HB3 LYS 77 HB3 LYS 77 0.154 -5.024 11.530
546 HG2 LYS 77 HG2 LYS 77 -2.070 -4.292 12.239
547 HG3 LYS 77 HG3 LYS 77 -2.818 -5.631 11.360
548 HD2 LYS 77 HD2 LYS 77 -1.648 -7.239 12.850
549 HD3 LYS 77 HD3 LYS 77 -0.934 -5.885 13.735
550 HE2 LYS 77 HE2 LYS 77 -3.908 -6.459 13.500
551 HE3 LYS 77 HE3 LYS 77 -2.903 -6.821 14.904
552 HZ1 LYS 77 HZ1 LYS 77 -2.442 -4.429 15.096
553 HZ2 LYS 77 HZ2 LYS 77 -4.087 -4.783 15.256
554 HZ3 LYS 77 HZ3 LYS 77 -3.504 -4.122 13.815
555 H GLY 78 H GLY 78 -2.123 -2.827 8.345
556 HA2 GLY 78 HA2 GLY 78 -2.841 -0.672 8.567
557 HA3 GLY 78 HA3 GLY 78 -2.436 -0.733 10.273
558 H GLU 79 H GLU 79 -0.109 -0.509 10.799
559 HA GLU 79 HA GLU 79 1.018 1.847 9.756
560 HB2 GLU 79 HB2 GLU 79 1.278 0.867 12.106
561 HB3 GLU 79 HB3 GLU 79 2.448 -0.262 11.446
562 HG2 GLU 79 HG2 GLU 79 2.773 2.755 11.313
563 HG3 GLU 79 HG3 GLU 79 3.384 1.784 12.643
564 H TRP 80 H TRP 80 1.197 1.487 7.539
565 HA TRP 80 HA TRP 80 3.420 -0.206 6.608
566 HB2 TRP 80 HB2 TRP 80 1.358 -0.642 5.443
567 HB3 TRP 80 HB3 TRP 80 1.014 1.071 5.250
568 HD1 TRP 80 HD1 TRP 80 3.790 -1.409 3.986
569 HE1 TRP 80 HE1 TRP 80 4.285 -0.787 1.543
570 HE3 TRP 80 HE3 TRP 80 0.703 2.620 3.562
571 HZ2 TRP 80 HZ2 TRP 80 3.467 1.161 -0.329
572 HZ3 TRP 80 HZ3 TRP 80 0.611 3.827 1.407
573 HH2 TRP 80 HH2 TRP 80 1.971 3.107 -0.497
574 H LEU 81 H LEU 81 5.098 0.744 5.402
575 HA LEU 81 HA LEU 81 5.226 3.704 5.329
576 HB2 LEU 81 HB2 LEU 81 7.483 1.673 5.428
577 HB3 LEU 81 HB3 LEU 81 7.724 3.380 5.117
578 HG LEU 81 HG LEU 81 6.722 2.131 7.705
579 HD11 LEU 81 HD11 LEU 81 9.130 1.879 7.342
580 HD12 LEU 81 HD12 LEU 81 8.808 3.002 8.661
581 HD13 LEU 81 HD13 LEU 81 9.294 3.619 7.078
582 HD21 LEU 81 HD21 LEU 81 6.736 4.422 8.644
583 HD22 LEU 81 HD22 LEU 81 5.541 4.240 7.364
584 HD23 LEU 81 HD23 LEU 81 7.061 5.081 7.036
585 H CYS 82 H CYS 82 5.123 4.559 3.403
586 HA CYS 82 HA CYS 82 4.759 3.093 1.020
587 HB2 CYS 82 HB2 CYS 82 4.691 5.367 -0.024
588 HB3 CYS 82 HB3 CYS 82 3.676 5.253 1.410
589 HA PRO 83 HA PRO 83 8.934 2.943 -0.950
590 HB2 PRO 83 HB2 PRO 83 7.625 4.521 -3.185
591 HB3 PRO 83 HB3 PRO 83 8.650 3.070 -3.279
592 HG2 PRO 83 HG2 PRO 83 6.036 2.819 -3.596
593 HG3 PRO 83 HG3 PRO 83 6.929 1.630 -2.619
594 HD2 PRO 83 HD2 PRO 83 5.161 3.881 -1.683
595 HD3 PRO 83 HD3 PRO 83 5.337 2.236 -1.031
596 H ARG 84 H ARG 84 7.080 5.901 -0.693
597 HA ARG 84 HA ARG 84 9.236 7.760 -1.061
598 HB2 ARG 84 HB2 ARG 84 6.469 8.173 0.155
599 HB3 ARG 84 HB3 ARG 84 7.584 9.458 -0.314
600 HG2 ARG 84 HG2 ARG 84 7.417 8.761 -2.675
601 HG3 ARG 84 HG3 ARG 84 6.313 7.456 -2.219
602 HD2 ARG 84 HD2 ARG 84 4.651 9.072 -1.458
603 HD3 ARG 84 HD3 ARG 84 5.771 10.409 -1.730
604 HE ARG 84 HE ARG 84 4.354 8.847 -3.774
605 HH11 ARG 84 HH11 ARG 84 6.435 11.566 -2.986
606 HH12 ARG 84 HH12 ARG 84 6.247 12.308 -4.545
607 HH21 ARG 84 HH21 ARG 84 4.111 9.812 -5.808
608 HH22 ARG 84 HH22 ARG 84 4.925 11.314 -6.154
609 H CYS 85 H CYS 85 8.018 5.969 1.682
610 HA CYS 85 HA CYS 85 9.483 7.536 3.660
611 HB2 CYS 85 HB2 CYS 85 8.104 4.827 3.886
612 HB3 CYS 85 HB3 CYS 85 8.796 5.732 5.229
613 H VAL 86 H VAL 86 9.859 4.520 1.885
614 HA VAL 86 HA VAL 86 12.146 3.546 3.248
615 HB VAL 86 HB VAL 86 11.181 2.833 0.441
616 HG11 VAL 86 HG11 VAL 86 12.389 0.697 0.779
617 HG12 VAL 86 HG12 VAL 86 12.981 1.274 2.337
618 HG13 VAL 86 HG13 VAL 86 13.491 2.073 0.847
619 HG21 VAL 86 HG21 VAL 86 10.475 1.502 3.093
620 HG22 VAL 86 HG22 VAL 86 9.977 0.942 1.493
621 HG23 VAL 86 HG23 VAL 86 9.386 2.486 2.111
622 H VAL 87 H VAL 87 11.754 5.436 0.261
623 HA VAL 87 HA VAL 87 14.694 5.698 -0.067
624 HB VAL 87 HB VAL 87 12.617 6.397 -2.203
625 HG11 VAL 87 HG11 VAL 87 15.543 5.588 -2.418
626 HG12 VAL 87 HG12 VAL 87 14.898 7.218 -2.619
627 HG13 VAL 87 HG13 VAL 87 14.482 5.957 -3.783
628 HG21 VAL 87 HG21 VAL 87 12.139 4.076 -1.583
629 HG22 VAL 87 HG22 VAL 87 13.843 3.647 -1.753
630 HG23 VAL 87 HG23 VAL 87 12.908 4.121 -3.174
631 H GLU 88 H GLU 88 12.406 7.327 1.512
632 HA GLU 88 HA GLU 88 11.786 9.401 2.055
633 HB2 GLU 88 HB2 GLU 88 14.598 10.094 1.133
634 HB3 GLU 88 HB3 GLU 88 13.546 11.194 2.010
635 HG2 GLU 88 HG2 GLU 88 14.996 10.318 3.639
636 HG3 GLU 88 HG3 GLU 88 13.479 9.465 3.879
637 H GLU 89 H GLU 89 11.672 11.833 1.241
638 HA GLU 89 HA GLU 89 10.545 11.857 -1.429
639 HB2 GLU 89 HB2 GLU 89 10.747 13.917 0.789
640 HB3 GLU 89 HB3 GLU 89 10.324 14.429 -0.842
641 HG2 GLU 89 HG2 GLU 89 8.785 12.388 0.797
642 HG3 GLU 89 HG3 GLU 89 8.347 14.084 0.601
643 H VAL 90 H VAL 90 12.176 11.502 -2.839
644 HA VAL 90 HA VAL 90 14.650 13.024 -2.781
645 HB VAL 90 HB VAL 90 13.678 11.131 -4.978
646 HG11 VAL 90 HG11 VAL 90 16.493 12.059 -4.273
647 HG12 VAL 90 HG12 VAL 90 15.549 12.582 -5.669
648 HG13 VAL 90 HG13 VAL 90 16.076 10.903 -5.542
649 HG21 VAL 90 HG21 VAL 90 15.371 10.421 -2.549
650 HG22 VAL 90 HG22 VAL 90 14.972 9.337 -3.887
651 HG23 VAL 90 HG23 VAL 90 13.696 9.929 -2.819
652 H SER 91 H SER 91 13.596 15.090 -2.856
653 HA SER 91 HA SER 91 11.833 15.998 -4.840
654 HB2 SER 91 HB2 SER 91 13.786 17.644 -3.169
655 HB3 SER 91 HB3 SER 91 12.324 18.243 -3.965
656 HG SER 91 HG SER 91 11.553 17.817 -2.024
657 H LYS 92 H LYS 92 12.142 17.135 -6.749
658 HA LYS 92 HA LYS 92 14.356 16.555 -8.376
659 HB2 LYS 92 HB2 LYS 92 12.271 18.755 -8.689
660 HB3 LYS 92 HB3 LYS 92 13.361 18.208 -9.966
661 HG2 LYS 92 HG2 LYS 92 12.340 15.976 -9.919
662 HG3 LYS 92 HG3 LYS 92 11.284 16.463 -8.589
663 HD2 LYS 92 HD2 LYS 92 11.264 17.675 -11.386
664 HD3 LYS 92 HD3 LYS 92 10.121 16.470 -10.787
665 HE2 LYS 92 HE2 LYS 92 9.388 18.090 -9.030
666 HE3 LYS 92 HE3 LYS 92 10.469 19.300 -9.731
667 HZ1 LYS 92 HZ1 LYS 92 8.211 19.583 -10.515
668 HZ2 LYS 92 HZ2 LYS 92 8.182 18.006 -11.118
669 HZ3 LYS 92 HZ3 LYS 92 9.221 19.150 -11.796
670 HA PRO 93 HA PRO 93 16.976 19.754 -6.423
671 HB2 PRO 93 HB2 PRO 93 19.404 18.804 -7.187
672 HB3 PRO 93 HB3 PRO 93 18.414 17.942 -5.988
673 HG2 PRO 93 HG2 PRO 93 18.796 17.326 -8.897
674 HG3 PRO 93 HG3 PRO 93 18.709 16.212 -7.515
675 HD2 PRO 93 HD2 PRO 93 16.575 16.774 -9.219
676 HD3 PRO 93 HD3 PRO 93 16.404 16.129 -7.573
677 H GLN 94 H GLN 94 15.826 21.153 -8.029
678 HA GLN 94 HA GLN 94 17.425 21.910 -10.402
679 HB2 GLN 94 HB2 GLN 94 14.510 22.530 -9.734
680 HB3 GLN 94 HB3 GLN 94 15.336 22.937 -11.236
681 HG2 GLN 94 HG2 GLN 94 15.604 20.533 -11.737
682 HG3 GLN 94 HG3 GLN 94 14.791 20.124 -10.229
683 HE21 GLN 94 HE21 GLN 94 14.374 21.330 -13.475
684 HE22 GLN 94 HE22 GLN 94 12.656 21.169 -13.523
Start of MODEL 14
1 H1 SER 1 H1 SER 1 12.144 32.040 -21.897
2 H2 SER 1 H2 SER 1 11.766 33.492 -22.673
3 H3 SER 1 H3 SER 1 11.375 32.018 -23.396
4 HA SER 1 HA SER 1 10.246 33.020 -20.858
5 HB2 SER 1 HB2 SER 1 8.964 32.876 -23.621
6 HB3 SER 1 HB3 SER 1 8.175 33.451 -22.144
7 HG SER 1 HG SER 1 8.998 35.320 -22.581
8 H HIS 2 H HIS 2 11.372 30.320 -22.077
9 HA HIS 2 HA HIS 2 9.144 28.519 -22.024
10 HB2 HIS 2 HB2 HIS 2 12.112 27.835 -21.824
11 HB3 HIS 2 HB3 HIS 2 10.806 26.741 -22.265
12 HD2 HIS 2 HD2 HIS 2 9.734 27.182 -24.886
13 HE1 HIS 2 HE1 HIS 2 13.073 29.481 -26.093
14 HE2 HIS 2 HE2 HIS 2 10.898 28.424 -26.833
15 H MET 3 H MET 3 8.172 28.951 -20.006
16 HA MET 3 HA MET 3 9.421 28.464 -17.465
17 HB2 MET 3 HB2 MET 3 6.472 28.404 -18.265
18 HB3 MET 3 HB3 MET 3 7.067 28.399 -16.608
19 HG2 MET 3 HG2 MET 3 7.986 30.642 -16.906
20 HG3 MET 3 HG3 MET 3 7.488 30.640 -18.599
21 HE1 MET 3 HE1 MET 3 6.173 30.553 -14.841
22 HE2 MET 3 HE2 MET 3 5.396 29.140 -15.561
23 HE3 MET 3 HE3 MET 3 4.433 30.547 -15.109
24 H SER 4 H SER 4 9.472 26.532 -16.261
25 HA SER 4 HA SER 4 9.415 24.039 -17.635
26 HB2 SER 4 HB2 SER 4 9.503 24.610 -14.638
27 HB3 SER 4 HB3 SER 4 9.850 23.049 -15.385
28 HG SER 4 HG SER 4 11.427 25.275 -15.152
29 H GLY 5 H GLY 5 7.409 23.738 -18.538
30 HA2 GLY 5 HA2 GLY 5 4.969 23.727 -16.881
31 HA3 GLY 5 HA3 GLY 5 5.054 23.760 -18.634
32 H GLY 6 H GLY 6 7.269 21.504 -17.575
33 HA2 GLY 6 HA2 GLY 6 5.662 19.252 -18.409
34 HA3 GLY 6 HA3 GLY 6 7.324 19.216 -17.831
35 H SER 7 H SER 7 3.970 19.561 -16.762
36 HA SER 7 HA SER 7 4.409 19.402 -13.963
37 HB2 SER 7 HB2 SER 7 1.874 19.062 -13.932
38 HB3 SER 7 HB3 SER 7 2.419 20.486 -14.817
39 HG SER 7 HG SER 7 1.175 19.646 -16.306
40 HA PRO 8 HA PRO 8 4.790 15.004 -13.103
41 HB2 PRO 8 HB2 PRO 8 2.728 15.376 -10.938
42 HB3 PRO 8 HB3 PRO 8 4.372 14.704 -10.831
43 HG2 PRO 8 HG2 PRO 8 3.888 17.135 -9.894
44 HG3 PRO 8 HG3 PRO 8 5.385 16.811 -10.801
45 HD2 PRO 8 HD2 PRO 8 2.862 18.164 -11.758
46 HD3 PRO 8 HD3 PRO 8 4.560 18.612 -12.048
47 H LEU 9 H LEU 9 3.911 13.934 -14.808
48 HA LEU 9 HA LEU 9 1.011 13.381 -14.803
49 HB2 LEU 9 HB2 LEU 9 1.487 12.770 -17.320
50 HB3 LEU 9 HB3 LEU 9 1.253 14.430 -16.827
51 HG LEU 9 HG LEU 9 3.859 14.608 -16.808
52 HD11 LEU 9 HD11 LEU 9 4.443 12.250 -16.958
53 HD12 LEU 9 HD12 LEU 9 5.074 13.130 -18.346
54 HD13 LEU 9 HD13 LEU 9 3.635 12.122 -18.526
55 HD21 LEU 9 HD21 LEU 9 3.923 15.169 -19.192
56 HD22 LEU 9 HD22 LEU 9 2.436 15.745 -18.441
57 HD23 LEU 9 HD23 LEU 9 2.409 14.295 -19.451
58 H ALA 10 H ALA 10 0.676 11.507 -13.829
59 HA ALA 10 HA ALA 10 2.329 9.171 -14.164
60 HB1 ALA 10 HB1 ALA 10 -0.525 9.425 -13.132
61 HB2 ALA 10 HB2 ALA 10 0.943 9.411 -12.151
62 HB3 ALA 10 HB3 ALA 10 0.473 7.968 -13.053
63 H THR 11 H THR 11 2.520 8.490 -16.231
64 HA THR 11 HA THR 11 0.402 8.569 -18.156
65 HB THR 11 HB THR 11 2.928 6.864 -18.373
66 HG1 THR 11 HG1 THR 11 2.634 9.633 -18.358
67 HG21 THR 11 HG21 THR 11 2.709 7.306 -20.789
68 HG22 THR 11 HG22 THR 11 1.281 8.303 -20.503
69 HG23 THR 11 HG23 THR 11 1.226 6.569 -20.176
70 H GLY 12 H GLY 12 -1.249 7.548 -16.924
71 HA2 GLY 12 HA2 GLY 12 -1.012 4.804 -16.008
72 HA3 GLY 12 HA3 GLY 12 -2.406 5.867 -15.848
73 H THR 13 H THR 13 -0.655 5.046 -18.806
74 HA THR 13 HA THR 13 -3.049 4.560 -20.247
75 HB THR 13 HB THR 13 -1.229 5.581 -21.447
76 HG1 THR 13 HG1 THR 13 -2.580 3.735 -22.414
77 HG21 THR 13 HG21 THR 13 0.708 4.677 -20.189
78 HG22 THR 13 HG22 THR 13 0.921 4.487 -21.932
79 HG23 THR 13 HG23 THR 13 0.455 3.101 -20.946
80 H THR 14 H THR 14 -4.170 2.853 -19.663
81 HA THR 14 HA THR 14 -3.016 0.160 -20.083
82 HB THR 14 HB THR 14 -4.729 -0.671 -18.365
83 HG1 THR 14 HG1 THR 14 -5.237 1.153 -16.791
84 HG21 THR 14 HG21 THR 14 -3.414 -0.074 -16.361
85 HG22 THR 14 HG22 THR 14 -2.598 1.205 -17.261
86 HG23 THR 14 HG23 THR 14 -2.349 -0.486 -17.708
87 H ALA 15 H ALA 15 -4.169 -1.042 -21.488
88 HA ALA 15 HA ALA 15 -6.604 0.088 -22.739
89 HB1 ALA 15 HB1 ALA 15 -6.101 -1.448 -24.603
90 HB2 ALA 15 HB2 ALA 15 -4.743 -2.128 -23.701
91 HB3 ALA 15 HB3 ALA 15 -4.697 -0.446 -24.231
92 H ASN 16 H ASN 16 -6.494 -1.319 -20.118
93 HA ASN 16 HA ASN 16 -7.717 -3.957 -20.543
94 HB2 ASN 16 HB2 ASN 16 -6.738 -2.601 -17.979
95 HB3 ASN 16 HB3 ASN 16 -7.189 -4.295 -18.153
96 HD21 ASN 16 HD21 ASN 16 -5.739 -5.721 -19.156
97 HD22 ASN 16 HD22 ASN 16 -4.099 -5.285 -19.480
98 H THR 17 H THR 17 -9.128 -1.320 -20.973
99 HA THR 17 HA THR 17 -10.833 -0.666 -18.825
100 HB THR 17 HB THR 17 -12.223 0.463 -20.720
101 HG1 THR 17 HG1 THR 17 -11.270 -0.992 -22.346
102 HG21 THR 17 HG21 THR 17 -10.585 1.718 -19.346
103 HG22 THR 17 HG22 THR 17 -10.599 2.271 -21.022
104 HG23 THR 17 HG23 THR 17 -9.297 1.226 -20.454
105 H ARG 18 H ARG 18 -11.801 -2.461 -18.004
106 HA ARG 18 HA ARG 18 -13.641 -4.107 -19.595
107 HB2 ARG 18 HB2 ARG 18 -12.698 -4.239 -16.701
108 HB3 ARG 18 HB3 ARG 18 -13.867 -5.360 -17.396
109 HG2 ARG 18 HG2 ARG 18 -12.244 -6.314 -18.866
110 HG3 ARG 18 HG3 ARG 18 -11.083 -5.019 -18.559
111 HD2 ARG 18 HD2 ARG 18 -10.613 -7.242 -17.401
112 HD3 ARG 18 HD3 ARG 18 -10.618 -5.808 -16.370
113 HE ARG 18 HE ARG 18 -13.073 -7.431 -16.563
114 HH11 ARG 18 HH11 ARG 18 -10.329 -6.387 -14.629
115 HH12 ARG 18 HH12 ARG 18 -11.014 -6.937 -13.134
116 HH21 ARG 18 HH21 ARG 18 -13.995 -8.085 -14.585
117 HH22 ARG 18 HH22 ARG 18 -13.102 -7.897 -13.108
118 H GLY 19 H GLY 19 -13.622 -1.913 -16.785
119 HA2 GLY 19 HA2 GLY 19 -16.420 -1.866 -16.305
120 HA3 GLY 19 HA3 GLY 19 -15.251 -0.680 -15.747
121 H ALA 20 H ALA 20 -14.601 -0.460 -18.827
122 HA ALA 20 HA ALA 20 -16.338 1.811 -19.344
123 HB1 ALA 20 HB1 ALA 20 -14.872 2.206 -21.276
124 HB2 ALA 20 HB2 ALA 20 -14.068 0.657 -21.007
125 HB3 ALA 20 HB3 ALA 20 -13.916 1.946 -19.811
126 H SER 21 H SER 21 -17.187 -1.249 -19.565
127 HA SER 21 HA SER 21 -18.239 -1.598 -22.162
128 HB2 SER 21 HB2 SER 21 -19.392 -2.548 -19.503
129 HB3 SER 21 HB3 SER 21 -19.838 -3.179 -21.092
130 HG SER 21 HG SER 21 -17.129 -3.189 -20.524
131 H GLN 22 H GLN 22 -19.348 -0.011 -23.123
132 HA GLN 22 HA GLN 22 -20.580 2.140 -21.727
133 HB2 GLN 22 HB2 GLN 22 -21.119 2.969 -24.107
134 HB3 GLN 22 HB3 GLN 22 -19.431 2.768 -23.673
135 HG2 GLN 22 HG2 GLN 22 -19.762 2.006 -25.938
136 HG3 GLN 22 HG3 GLN 22 -19.364 0.628 -24.924
137 HE21 GLN 22 HE21 GLN 22 -20.922 -0.982 -24.602
138 HE22 GLN 22 HE22 GLN 22 -22.363 -1.082 -25.551
139 H LYS 23 H LYS 23 -21.941 -0.798 -22.157
140 HA LYS 23 HA LYS 23 -24.612 -0.178 -22.910
141 HB2 LYS 23 HB2 LYS 23 -23.602 -2.429 -21.110
142 HB3 LYS 23 HB3 LYS 23 -25.199 -2.345 -21.856
143 HG2 LYS 23 HG2 LYS 23 -24.099 -2.402 -24.107
144 HG3 LYS 23 HG3 LYS 23 -22.541 -2.625 -23.299
145 HD2 LYS 23 HD2 LYS 23 -23.418 -4.738 -22.277
146 HD3 LYS 23 HD3 LYS 23 -24.930 -4.517 -23.162
147 HE2 LYS 23 HE2 LYS 23 -23.664 -4.646 -25.298
148 HE3 LYS 23 HE3 LYS 23 -22.181 -4.929 -24.382
149 HZ1 LYS 23 HZ1 LYS 23 -23.189 -6.950 -23.490
150 HZ2 LYS 23 HZ2 LYS 23 -23.096 -6.990 -25.177
151 HZ3 LYS 23 HZ3 LYS 23 -24.576 -6.683 -24.420
152 H LYS 24 H LYS 24 -22.976 -0.476 -19.774
153 HA LYS 24 HA LYS 24 -24.455 1.673 -18.607
154 HB2 LYS 24 HB2 LYS 24 -25.391 0.328 -16.665
155 HB3 LYS 24 HB3 LYS 24 -26.205 0.084 -18.204
156 HG2 LYS 24 HG2 LYS 24 -25.029 -2.064 -18.502
157 HG3 LYS 24 HG3 LYS 24 -24.174 -1.811 -16.984
158 HD2 LYS 24 HD2 LYS 24 -25.928 -3.351 -16.513
159 HD3 LYS 24 HD3 LYS 24 -26.428 -1.813 -15.816
160 HE2 LYS 24 HE2 LYS 24 -27.397 -2.873 -18.497
161 HE3 LYS 24 HE3 LYS 24 -28.261 -3.078 -16.977
162 HZ1 LYS 24 HZ1 LYS 24 -29.181 -1.249 -18.171
163 HZ2 LYS 24 HZ2 LYS 24 -27.678 -0.504 -18.339
164 HZ3 LYS 24 HZ3 LYS 24 -28.388 -0.640 -16.811
165 H GLY 25 H GLY 25 -22.524 2.604 -18.160
166 HA2 GLY 25 HA2 GLY 25 -20.665 1.251 -16.265
167 HA3 GLY 25 HA3 GLY 25 -20.222 2.541 -17.379
168 H GLY 26 H GLY 26 -19.556 2.823 -14.790
169 HA2 GLY 26 HA2 GLY 26 -19.481 4.765 -13.460
170 HA3 GLY 26 HA3 GLY 26 -21.106 5.189 -13.980
171 H GLU 27 H GLU 27 -19.234 2.971 -11.962
172 HA GLU 27 HA GLU 27 -21.266 1.677 -10.564
173 HB2 GLU 27 HB2 GLU 27 -19.497 1.360 -8.763
174 HB3 GLU 27 HB3 GLU 27 -19.044 0.849 -10.386
175 HG2 GLU 27 HG2 GLU 27 -17.845 3.057 -10.654
176 HG3 GLU 27 HG3 GLU 27 -18.153 3.362 -8.944
177 HA PRO 28 HA PRO 28 -22.734 5.380 -8.393
178 HB2 PRO 28 HB2 PRO 28 -25.232 4.507 -7.764
179 HB3 PRO 28 HB3 PRO 28 -24.772 4.894 -9.432
180 HG2 PRO 28 HG2 PRO 28 -25.132 2.221 -8.155
181 HG3 PRO 28 HG3 PRO 28 -25.426 2.724 -9.831
182 HD2 PRO 28 HD2 PRO 28 -23.120 1.362 -8.871
183 HD3 PRO 28 HD3 PRO 28 -23.313 2.102 -10.474
184 HA PRO 29 HA PRO 29 -22.645 4.136 -3.935
185 HB2 PRO 29 HB2 PRO 29 -22.535 6.612 -2.848
186 HB3 PRO 29 HB3 PRO 29 -21.119 5.945 -3.693
187 HG2 PRO 29 HG2 PRO 29 -23.129 7.946 -4.685
188 HG3 PRO 29 HG3 PRO 29 -21.363 7.930 -4.889
189 HD2 PRO 29 HD2 PRO 29 -23.177 7.026 -6.813
190 HD3 PRO 29 HD3 PRO 29 -21.464 6.555 -6.738
191 H ALA 30 H ALA 30 -24.126 5.679 -2.077
192 HA ALA 30 HA ALA 30 -26.883 5.752 -3.193
193 HB1 ALA 30 HB1 ALA 30 -27.676 5.401 -0.903
194 HB2 ALA 30 HB2 ALA 30 -26.013 5.409 -0.304
195 HB3 ALA 30 HB3 ALA 30 -26.558 4.118 -1.376
196 H LEU 31 H LEU 31 -24.328 7.637 -1.981
197 HA LEU 31 HA LEU 31 -23.943 9.796 -1.624
198 HB2 LEU 31 HB2 LEU 31 -26.830 10.317 -2.391
199 HB3 LEU 31 HB3 LEU 31 -25.629 11.573 -2.116
200 HG LEU 31 HG LEU 31 -25.471 9.471 -4.319
201 HD11 LEU 31 HD11 LEU 31 -26.193 12.411 -4.538
202 HD12 LEU 31 HD12 LEU 31 -27.291 11.045 -4.747
203 HD13 LEU 31 HD13 LEU 31 -25.971 11.288 -5.886
204 HD21 LEU 31 HD21 LEU 31 -23.244 10.176 -3.595
205 HD22 LEU 31 HD22 LEU 31 -23.685 11.876 -3.794
206 HD23 LEU 31 HD23 LEU 31 -23.604 10.808 -5.197
207 H ILE 32 H ILE 32 -26.799 8.527 -0.064
208 HA ILE 32 HA ILE 32 -26.988 10.394 2.068
209 HB ILE 32 HB ILE 32 -28.048 7.525 1.953
210 HG12 ILE 32 HG12 ILE 32 -29.421 10.118 1.104
211 HG13 ILE 32 HG13 ILE 32 -28.835 8.872 0.005
212 HG21 ILE 32 HG21 ILE 32 -28.060 8.467 4.238
213 HG22 ILE 32 HG22 ILE 32 -29.706 8.287 3.629
214 HG23 ILE 32 HG23 ILE 32 -28.949 9.881 3.661
215 HD11 ILE 32 HD11 ILE 32 -31.076 8.577 2.009
216 HD12 ILE 32 HD12 ILE 32 -30.466 7.297 0.955
217 HD13 ILE 32 HD13 ILE 32 -31.222 8.726 0.257
218 H VAL 33 H VAL 33 -25.301 10.642 3.389
219 HA VAL 33 HA VAL 33 -23.562 10.370 4.757
220 HB VAL 33 HB VAL 33 -24.735 7.668 5.542
221 HG11 VAL 33 HG11 VAL 33 -22.489 8.072 6.474
222 HG12 VAL 33 HG12 VAL 33 -23.701 8.103 7.754
223 HG13 VAL 33 HG13 VAL 33 -23.027 9.617 7.144
224 HG21 VAL 33 HG21 VAL 33 -25.483 10.414 6.631
225 HG22 VAL 33 HG22 VAL 33 -26.045 8.870 7.280
226 HG23 VAL 33 HG23 VAL 33 -26.517 9.367 5.653
227 H ASP 34 H ASP 34 -23.080 9.814 2.139
228 HA ASP 34 HA ASP 34 -20.879 7.847 2.313
229 HB2 ASP 34 HB2 ASP 34 -22.297 9.058 -0.081
230 HB3 ASP 34 HB3 ASP 34 -20.657 8.437 -0.251
231 HA PRO 35 HA PRO 35 -18.507 11.679 3.172
232 HB2 PRO 35 HB2 PRO 35 -16.310 9.706 3.696
233 HB3 PRO 35 HB3 PRO 35 -16.992 10.938 4.780
234 HG2 PRO 35 HG2 PRO 35 -17.474 8.329 5.191
235 HG3 PRO 35 HG3 PRO 35 -18.719 9.563 5.495
236 HD2 PRO 35 HD2 PRO 35 -18.419 7.749 3.104
237 HD3 PRO 35 HD3 PRO 35 -19.879 8.148 4.043
238 H LEU 36 H LEU 36 -17.975 9.110 0.938
239 HA LEU 36 HA LEU 36 -16.978 8.852 -1.046
240 HB2 LEU 36 HB2 LEU 36 -16.493 11.851 -0.973
241 HB3 LEU 36 HB3 LEU 36 -16.299 10.831 -2.394
242 HG LEU 36 HG LEU 36 -18.948 11.303 -0.947
243 HD11 LEU 36 HD11 LEU 36 -17.966 12.503 -3.552
244 HD12 LEU 36 HD12 LEU 36 -18.180 13.357 -2.021
245 HD13 LEU 36 HD13 LEU 36 -19.581 12.696 -2.859
246 HD21 LEU 36 HD21 LEU 36 -18.386 9.882 -3.577
247 HD22 LEU 36 HD22 LEU 36 -19.979 10.213 -2.891
248 HD23 LEU 36 HD23 LEU 36 -18.881 9.119 -2.058
249 H MET 37 H MET 37 -14.882 11.451 0.303
250 HA MET 37 HA MET 37 -12.533 9.782 0.219
251 HB2 MET 37 HB2 MET 37 -12.348 12.250 -0.079
252 HB3 MET 37 HB3 MET 37 -12.909 12.488 1.574
253 HG2 MET 37 HG2 MET 37 -10.923 11.253 2.403
254 HG3 MET 37 HG3 MET 37 -10.355 11.085 0.739
255 HE1 MET 37 HE1 MET 37 -8.017 12.149 1.365
256 HE2 MET 37 HE2 MET 37 -8.556 12.260 3.044
257 HE3 MET 37 HE3 MET 37 -7.854 13.665 2.248
258 H LYS 38 H LYS 38 -13.520 8.045 1.392
259 HA LYS 38 HA LYS 38 -13.684 8.164 4.297
260 HB2 LYS 38 HB2 LYS 38 -13.546 5.742 2.436
261 HB3 LYS 38 HB3 LYS 38 -14.073 5.743 4.122
262 HG2 LYS 38 HG2 LYS 38 -16.037 7.117 3.520
263 HG3 LYS 38 HG3 LYS 38 -15.495 7.167 1.838
264 HD2 LYS 38 HD2 LYS 38 -17.264 5.503 2.078
265 HD3 LYS 38 HD3 LYS 38 -15.743 4.690 1.701
266 HE2 LYS 38 HE2 LYS 38 -15.480 4.132 4.116
267 HE3 LYS 38 HE3 LYS 38 -17.023 4.922 4.447
268 HZ1 LYS 38 HZ1 LYS 38 -17.248 2.529 4.259
269 HZ2 LYS 38 HZ2 LYS 38 -16.642 2.576 2.685
270 HZ3 LYS 38 HZ3 LYS 38 -18.119 3.312 3.038
271 H TYR 39 H TYR 39 -11.694 6.477 1.906
272 HA TYR 39 HA TYR 39 -9.236 7.575 3.050
273 HB2 TYR 39 HB2 TYR 39 -9.750 4.657 2.380
274 HB3 TYR 39 HB3 TYR 39 -8.125 5.318 2.361
275 HD1 TYR 39 HD2 TYR 39 -7.085 6.135 4.495
276 HD2 TYR 39 HD1 TYR 39 -10.838 4.082 4.486
277 HE1 TYR 39 HE2 TYR 39 -6.827 5.690 6.893
278 HE2 TYR 39 HE1 TYR 39 -10.587 3.631 6.896
279 HH TYR 39 HH TYR 39 -8.260 5.174 8.837
280 H ILE 40 H ILE 40 -10.417 5.518 0.422
281 HA ILE 40 HA ILE 40 -10.162 5.420 -1.807
282 HB ILE 40 HB ILE 40 -9.380 8.374 -1.727
283 HG12 ILE 40 HG12 ILE 40 -12.126 7.136 -2.288
284 HG13 ILE 40 HG13 ILE 40 -11.675 7.981 -0.809
285 HG21 ILE 40 HG21 ILE 40 -10.288 6.683 -4.087
286 HG22 ILE 40 HG22 ILE 40 -8.651 7.287 -3.814
287 HG23 ILE 40 HG23 ILE 40 -9.965 8.421 -4.130
288 HD11 ILE 40 HD11 ILE 40 -11.823 9.217 -3.567
289 HD12 ILE 40 HD12 ILE 40 -11.373 10.054 -2.078
290 HD13 ILE 40 HD13 ILE 40 -12.998 9.399 -2.264
291 H CYS 41 H CYS 41 -8.558 4.236 -2.608
292 HA CYS 41 HA CYS 41 -5.795 4.622 -1.871
293 HB2 CYS 41 HB2 CYS 41 -6.638 2.351 -1.990
294 HB3 CYS 41 HB3 CYS 41 -7.244 2.604 -3.606
295 H HIS 42 H HIS 42 -4.712 6.129 -2.882
296 HA HIS 42 HA HIS 42 -5.742 7.754 -4.875
297 HB2 HIS 42 HB2 HIS 42 -2.949 7.470 -3.758
298 HB3 HIS 42 HB3 HIS 42 -3.268 8.605 -5.066
299 HD1 HIS 42 HD1 HIS 42 -3.139 10.787 -3.900
300 HD2 HIS 42 HD2 HIS 42 -5.601 8.130 -1.866
301 HE1 HIS 42 HE1 HIS 42 -4.241 12.133 -2.097
302 HE2 HIS 42 HE2 HIS 42 -5.676 10.499 -0.853
303 H ILE 43 H ILE 43 -3.202 5.277 -5.381
304 HA ILE 43 HA ILE 43 -2.838 5.667 -8.122
305 HB ILE 43 HB ILE 43 -2.427 3.135 -6.475
306 HG12 ILE 43 HG12 ILE 43 -0.478 5.234 -7.537
307 HG13 ILE 43 HG13 ILE 43 -0.971 5.035 -5.862
308 HG21 ILE 43 HG21 ILE 43 -1.556 3.615 -9.355
309 HG22 ILE 43 HG22 ILE 43 -2.751 2.435 -8.814
310 HG23 ILE 43 HG23 ILE 43 -1.059 2.247 -8.356
311 HD11 ILE 43 HD11 ILE 43 1.248 4.161 -6.219
312 HD12 ILE 43 HD12 ILE 43 0.661 3.076 -7.477
313 HD13 ILE 43 HD13 ILE 43 0.145 2.849 -5.803
314 H CYS 44 H CYS 44 -5.330 3.622 -6.490
315 HA CYS 44 HA CYS 44 -6.032 2.512 -9.171
316 HB2 CYS 44 HB2 CYS 44 -7.099 0.667 -7.954
317 HB3 CYS 44 HB3 CYS 44 -5.416 0.849 -7.451
318 H ASN 45 H ASN 45 -7.106 4.761 -6.928
319 HA ASN 45 HA ASN 45 -8.962 5.990 -6.584
320 HB2 ASN 45 HB2 ASN 45 -9.018 6.159 -9.071
321 HB3 ASN 45 HB3 ASN 45 -10.005 4.705 -9.143
322 HD21 ASN 45 HD21 ASN 45 -11.622 5.826 -10.269
323 HD22 ASN 45 HD22 ASN 45 -12.672 6.964 -9.496
324 H ARG 46 H ARG 46 -8.989 2.658 -6.263
325 HA ARG 46 HA ARG 46 -11.765 2.191 -5.643
326 HB2 ARG 46 HB2 ARG 46 -9.482 0.449 -4.662
327 HB3 ARG 46 HB3 ARG 46 -11.126 -0.020 -5.042
328 HG2 ARG 46 HG2 ARG 46 -8.987 0.744 -7.035
329 HG3 ARG 46 HG3 ARG 46 -9.504 -0.897 -6.649
330 HD2 ARG 46 HD2 ARG 46 -11.747 -0.382 -7.581
331 HD3 ARG 46 HD3 ARG 46 -11.191 1.255 -7.975
332 HE ARG 46 HE ARG 46 -10.008 -1.217 -9.109
333 HH11 ARG 46 HH11 ARG 46 -11.014 2.117 -9.562
334 HH12 ARG 46 HH12 ARG 46 -10.481 2.170 -11.208
335 HH21 ARG 46 HH21 ARG 46 -9.244 -1.099 -11.231
336 HH22 ARG 46 HH22 ARG 46 -9.480 0.353 -12.151
337 H GLY 47 H GLY 47 -12.766 2.813 -3.755
338 HA2 GLY 47 HA2 GLY 47 -11.107 3.285 -1.302
339 HA3 GLY 47 HA3 GLY 47 -12.516 4.237 -1.744
340 H ASP 48 H ASP 48 -13.027 0.952 -2.401
341 HA ASP 48 HA ASP 48 -14.904 0.760 -0.163
342 HB2 ASP 48 HB2 ASP 48 -15.703 0.374 -2.509
343 HB3 ASP 48 HB3 ASP 48 -14.651 -1.025 -2.621
344 H VAL 49 H VAL 49 -12.268 -1.164 -1.654
345 HA VAL 49 HA VAL 49 -12.381 -3.261 0.315
346 HB VAL 49 HB VAL 49 -10.222 -2.705 -1.777
347 HG11 VAL 49 HG11 VAL 49 -9.316 -4.093 0.043
348 HG12 VAL 49 HG12 VAL 49 -9.531 -5.073 -1.409
349 HG13 VAL 49 HG13 VAL 49 -10.690 -5.197 -0.082
350 HG21 VAL 49 HG21 VAL 49 -12.539 -4.678 -1.854
351 HG22 VAL 49 HG22 VAL 49 -11.302 -4.483 -3.100
352 HG23 VAL 49 HG23 VAL 49 -12.441 -3.175 -2.773
353 H GLU 50 H GLU 50 -12.188 -2.086 2.259
354 HA GLU 50 HA GLU 50 -9.804 -0.624 2.944
355 HB2 GLU 50 HB2 GLU 50 -10.749 -0.570 5.233
356 HB3 GLU 50 HB3 GLU 50 -11.899 -0.029 4.015
357 HG2 GLU 50 HG2 GLU 50 -13.025 -2.235 4.099
358 HG3 GLU 50 HG3 GLU 50 -11.883 -2.763 5.337
359 H GLU 51 H GLU 51 -10.770 -3.941 3.000
360 HA GLU 51 HA GLU 51 -9.230 -5.001 5.071
361 HB2 GLU 51 HB2 GLU 51 -10.198 -6.276 2.479
362 HB3 GLU 51 HB3 GLU 51 -9.566 -7.188 3.851
363 HG2 GLU 51 HG2 GLU 51 -11.399 -6.492 5.264
364 HG3 GLU 51 HG3 GLU 51 -11.961 -5.332 4.064
365 H SER 52 H SER 52 -8.239 -4.424 1.661
366 HA SER 52 HA SER 52 -5.484 -5.327 2.327
367 HB2 SER 52 HB2 SER 52 -5.078 -5.360 -0.113
368 HB3 SER 52 HB3 SER 52 -6.475 -6.354 0.299
369 HG SER 52 HG SER 52 -7.188 -5.182 -1.361
370 H MET 53 H MET 53 -7.069 -2.617 2.753
371 HA MET 53 HA MET 53 -5.438 -0.700 1.293
372 HB2 MET 53 HB2 MET 53 -7.877 -0.369 1.540
373 HB3 MET 53 HB3 MET 53 -7.700 -0.282 3.286
374 HG2 MET 53 HG2 MET 53 -6.411 1.781 3.067
375 HG3 MET 53 HG3 MET 53 -6.510 1.672 1.306
376 HE1 MET 53 HE1 MET 53 -9.525 0.691 0.812
377 HE2 MET 53 HE2 MET 53 -8.808 2.035 -0.083
378 HE3 MET 53 HE3 MET 53 -10.371 2.234 0.704
379 H LEU 54 H LEU 54 -3.497 -0.428 2.054
380 HA LEU 54 HA LEU 54 -2.732 -0.541 4.859
381 HB2 LEU 54 HB2 LEU 54 -1.056 0.099 2.389
382 HB3 LEU 54 HB3 LEU 54 -0.440 -0.325 3.983
383 HG LEU 54 HG LEU 54 -2.073 -2.223 2.246
384 HD11 LEU 54 HD11 LEU 54 0.940 -2.091 2.555
385 HD12 LEU 54 HD12 LEU 54 0.012 -1.688 1.107
386 HD13 LEU 54 HD13 LEU 54 0.035 -3.346 1.697
387 HD21 LEU 54 HD21 LEU 54 -0.433 -2.724 4.754
388 HD22 LEU 54 HD22 LEU 54 -1.233 -3.962 3.782
389 HD23 LEU 54 HD23 LEU 54 -2.195 -2.752 4.625
390 H LEU 55 H LEU 55 -1.620 1.198 5.885
391 HA LEU 55 HA LEU 55 -2.078 3.914 4.799
392 HB2 LEU 55 HB2 LEU 55 -3.279 2.909 7.079
393 HB3 LEU 55 HB3 LEU 55 -1.817 3.568 7.778
394 HG LEU 55 HG LEU 55 -3.742 5.136 7.912
395 HD11 LEU 55 HD11 LEU 55 -1.557 6.211 6.109
396 HD12 LEU 55 HD12 LEU 55 -1.506 6.118 7.874
397 HD13 LEU 55 HD13 LEU 55 -2.685 7.166 7.082
398 HD21 LEU 55 HD21 LEU 55 -4.914 4.448 5.863
399 HD22 LEU 55 HD22 LEU 55 -3.659 5.208 4.880
400 HD23 LEU 55 HD23 LEU 55 -4.683 6.193 5.927
401 H CYS 56 H CYS 56 -0.246 5.238 4.775
402 HA CYS 56 HA CYS 56 2.318 4.029 5.124
403 HB2 CYS 56 HB2 CYS 56 1.986 5.755 3.420
404 HB3 CYS 56 HB3 CYS 56 1.622 6.951 4.657
405 H ASP 57 H ASP 57 3.484 3.872 6.922
406 HA ASP 57 HA ASP 57 2.748 4.724 9.465
407 HB2 ASP 57 HB2 ASP 57 4.270 2.815 8.930
408 HB3 ASP 57 HB3 ASP 57 5.508 3.943 8.413
409 H GLY 58 H GLY 58 4.943 6.146 7.088
410 HA2 GLY 58 HA2 GLY 58 5.817 8.284 8.928
411 HA3 GLY 58 HA3 GLY 58 6.564 7.839 7.405
412 H CYS 59 H CYS 59 3.126 8.217 7.437
413 HA CYS 59 HA CYS 59 2.785 10.953 7.194
414 HB2 CYS 59 HB2 CYS 59 2.349 11.200 4.678
415 HB3 CYS 59 HB3 CYS 59 4.037 11.032 5.137
416 H ASP 60 H ASP 60 0.634 11.003 5.248
417 HA ASP 60 HA ASP 60 -1.291 9.024 6.296
418 HB2 ASP 60 HB2 ASP 60 -1.822 11.074 7.467
419 HB3 ASP 60 HB3 ASP 60 -1.600 12.043 6.013
420 H ASP 61 H ASP 61 -1.375 7.769 4.492
421 HA ASP 61 HA ASP 61 -3.171 8.661 2.480
422 HB2 ASP 61 HB2 ASP 61 -0.679 9.319 1.646
423 HB3 ASP 61 HB3 ASP 61 -0.622 7.624 1.182
424 H SER 62 H SER 62 -3.956 6.908 1.196
425 HA SER 62 HA SER 62 -3.539 4.255 2.422
426 HB2 SER 62 HB2 SER 62 -5.943 3.872 1.596
427 HB3 SER 62 HB3 SER 62 -5.745 5.020 2.920
428 HG SER 62 HG SER 62 -5.752 5.936 0.252
429 H TYR 63 H TYR 63 -2.715 2.718 1.177
430 HA TYR 63 HA TYR 63 -3.192 2.648 -1.742
431 HB2 TYR 63 HB2 TYR 63 -0.498 2.256 -0.344
432 HB3 TYR 63 HB3 TYR 63 -0.799 1.819 -2.022
433 HD1 TYR 63 HD2 TYR 63 -1.225 3.597 -3.719
434 HD2 TYR 63 HD1 TYR 63 -0.111 4.598 0.282
435 HE1 TYR 63 HE2 TYR 63 -0.684 5.888 -4.431
436 HE2 TYR 63 HE1 TYR 63 0.432 6.887 -0.431
437 HH TYR 63 HH TYR 63 1.054 8.070 -2.516
438 H HIS 64 H HIS 64 -3.613 0.596 -2.502
439 HA HIS 64 HA HIS 64 -3.964 -1.556 -0.539
440 HB2 HIS 64 HB2 HIS 64 -4.535 -1.528 -3.527
441 HB3 HIS 64 HB3 HIS 64 -4.920 -2.849 -2.461
442 HD2 HIS 64 HD2 HIS 64 -6.695 -1.800 -0.260
443 HE1 HIS 64 HE1 HIS 64 -8.761 0.406 -3.164
444 HE2 HIS 64 HE2 HIS 64 -8.873 -0.550 -0.855
445 H THR 65 H THR 65 -3.214 -3.740 -1.110
446 HA THR 65 HA THR 65 -0.475 -4.064 -1.567
447 HB THR 65 HB THR 65 -1.104 -6.521 -1.830
448 HG1 THR 65 HG1 THR 65 -3.128 -7.027 -2.224
449 HG21 THR 65 HG21 THR 65 -2.446 -5.085 0.500
450 HG22 THR 65 HG22 THR 65 -0.747 -5.567 0.436
451 HG23 THR 65 HG23 THR 65 -2.014 -6.797 0.454
452 H PHE 66 H PHE 66 -3.229 -4.714 -3.759
453 HA PHE 66 HA PHE 66 -1.640 -5.503 -5.988
454 HB2 PHE 66 HB2 PHE 66 -3.843 -5.500 -7.230
455 HB3 PHE 66 HB3 PHE 66 -3.823 -6.475 -5.768
456 HD1 PHE 66 HD2 PHE 66 -5.124 -3.320 -7.260
457 HD2 PHE 66 HD1 PHE 66 -5.310 -5.978 -3.908
458 HE1 PHE 66 HE2 PHE 66 -7.166 -2.199 -6.476
459 HE2 PHE 66 HE1 PHE 66 -7.358 -4.843 -3.140
460 HZ PHE 66 HZ PHE 66 -8.287 -2.960 -4.425
461 H CYS 67 H CYS 67 -2.854 -2.388 -4.941
462 HA CYS 67 HA CYS 67 -2.665 -0.992 -7.404
463 HB2 CYS 67 HB2 CYS 67 -2.440 0.087 -4.567
464 HB3 CYS 67 HB3 CYS 67 -2.801 1.048 -6.018
465 H LEU 68 H LEU 68 -0.283 -2.113 -5.218
466 HA LEU 68 HA LEU 68 1.851 -0.411 -6.364
467 HB2 LEU 68 HB2 LEU 68 1.826 -2.206 -3.900
468 HB3 LEU 68 HB3 LEU 68 3.157 -1.164 -4.391
469 HG LEU 68 HG LEU 68 0.401 -0.071 -3.660
470 HD11 LEU 68 HD11 LEU 68 2.794 -0.384 -1.826
471 HD12 LEU 68 HD12 LEU 68 1.268 -1.270 -1.728
472 HD13 LEU 68 HD13 LEU 68 1.291 0.468 -1.450
473 HD21 LEU 68 HD21 LEU 68 1.596 2.065 -3.373
474 HD22 LEU 68 HD22 LEU 68 1.750 1.447 -5.014
475 HD23 LEU 68 HD23 LEU 68 3.105 1.301 -3.892
476 H LEU 69 H LEU 69 3.861 -1.531 -6.935
477 HA LEU 69 HA LEU 69 3.560 -4.404 -7.507
478 HB2 LEU 69 HB2 LEU 69 4.892 -4.227 -9.534
479 HB3 LEU 69 HB3 LEU 69 3.424 -3.279 -9.648
480 HG LEU 69 HG LEU 69 6.162 -2.057 -9.097
481 HD11 LEU 69 HD11 LEU 69 6.170 -3.141 -11.293
482 HD12 LEU 69 HD12 LEU 69 6.202 -1.388 -11.454
483 HD13 LEU 69 HD13 LEU 69 4.701 -2.271 -11.749
484 HD21 LEU 69 HD21 LEU 69 3.539 -0.772 -9.934
485 HD22 LEU 69 HD22 LEU 69 5.086 0.061 -9.748
486 HD23 LEU 69 HD23 LEU 69 4.301 -0.658 -8.345
487 HA PRO 70 HA PRO 70 4.724 -6.259 -7.658
488 HB2 PRO 70 HB2 PRO 70 5.415 -8.201 -5.893
489 HB3 PRO 70 HB3 PRO 70 6.580 -7.570 -7.079
490 HG2 PRO 70 HG2 PRO 70 6.315 -6.879 -4.166
491 HG3 PRO 70 HG3 PRO 70 7.783 -7.195 -5.115
492 HD2 PRO 70 HD2 PRO 70 6.865 -4.656 -4.538
493 HD3 PRO 70 HD3 PRO 70 7.874 -5.040 -5.948
494 HA PRO 71 HA PRO 71 0.872 -5.851 -5.272
495 HB2 PRO 71 HB2 PRO 71 -0.348 -8.211 -6.227
496 HB3 PRO 71 HB3 PRO 71 -0.410 -6.629 -7.026
497 HG2 PRO 71 HG2 PRO 71 1.409 -8.946 -7.586
498 HG3 PRO 71 HG3 PRO 71 0.606 -7.845 -8.730
499 HD2 PRO 71 HD2 PRO 71 3.200 -7.555 -8.162
500 HD3 PRO 71 HD3 PRO 71 2.167 -6.121 -8.376
501 H LEU 72 H LEU 72 1.340 -6.147 -3.190
502 HA LEU 72 HA LEU 72 2.912 -8.141 -2.062
503 HB2 LEU 72 HB2 LEU 72 0.889 -6.392 -0.608
504 HB3 LEU 72 HB3 LEU 72 2.331 -7.119 0.085
505 HG LEU 72 HG LEU 72 2.373 -4.957 -2.070
506 HD11 LEU 72 HD11 LEU 72 2.809 -4.602 0.907
507 HD12 LEU 72 HD12 LEU 72 1.422 -4.029 -0.024
508 HD13 LEU 72 HD13 LEU 72 3.022 -3.367 -0.339
509 HD21 LEU 72 HD21 LEU 72 4.622 -6.079 -0.372
510 HD22 LEU 72 HD22 LEU 72 4.754 -4.712 -1.483
511 HD23 LEU 72 HD23 LEU 72 4.388 -6.319 -2.108
512 H THR 73 H THR 73 2.433 -10.238 -1.778
513 HA THR 73 HA THR 73 -0.119 -11.405 -2.123
514 HB THR 73 HB THR 73 2.312 -12.731 -0.836
515 HG1 THR 73 HG1 THR 73 1.745 -12.321 -3.598
516 HG21 THR 73 HG21 THR 73 0.260 -14.146 -0.834
517 HG22 THR 73 HG22 THR 73 1.488 -14.795 -1.923
518 HG23 THR 73 HG23 THR 73 0.108 -13.915 -2.583
519 H SER 74 H SER 74 1.394 -10.079 0.629
520 HA SER 74 HA SER 74 -0.889 -10.594 2.341
521 HB2 SER 74 HB2 SER 74 1.928 -11.471 3.144
522 HB3 SER 74 HB3 SER 74 0.575 -11.334 4.274
523 HG SER 74 HG SER 74 -0.358 -12.785 2.338
524 H ILE 75 H ILE 75 -0.548 -9.335 4.465
525 HA ILE 75 HA ILE 75 0.009 -6.615 3.986
526 HB ILE 75 HB ILE 75 -0.220 -8.103 6.640
527 HG12 ILE 75 HG12 ILE 75 -2.251 -8.367 5.268
528 HG13 ILE 75 HG13 ILE 75 -2.591 -7.337 6.650
529 HG21 ILE 75 HG21 ILE 75 -0.765 -5.916 7.667
530 HG22 ILE 75 HG22 ILE 75 -0.432 -5.112 6.130
531 HG23 ILE 75 HG23 ILE 75 0.868 -5.933 6.998
532 HD11 ILE 75 HD11 ILE 75 -2.153 -6.423 3.808
533 HD12 ILE 75 HD12 ILE 75 -2.461 -5.364 5.187
534 HD13 ILE 75 HD13 ILE 75 -3.689 -6.517 4.667
535 HA PRO 76 HA PRO 76 4.528 -6.854 4.434
536 HB2 PRO 76 HB2 PRO 76 5.106 -4.182 4.238
537 HB3 PRO 76 HB3 PRO 76 4.603 -5.150 2.834
538 HG2 PRO 76 HG2 PRO 76 2.935 -3.322 4.547
539 HG3 PRO 76 HG3 PRO 76 2.990 -3.455 2.772
540 HD2 PRO 76 HD2 PRO 76 1.046 -4.648 4.246
541 HD3 PRO 76 HD3 PRO 76 1.648 -5.360 2.734
542 H LYS 77 H LYS 77 4.274 -7.652 6.569
543 HA LYS 77 HA LYS 77 4.690 -7.829 8.747
544 HB2 LYS 77 HB2 LYS 77 6.690 -6.425 8.232
545 HB3 LYS 77 HB3 LYS 77 5.754 -4.988 8.618
546 HG2 LYS 77 HG2 LYS 77 5.550 -5.709 10.952
547 HG3 LYS 77 HG3 LYS 77 6.393 -7.219 10.576
548 HD2 LYS 77 HD2 LYS 77 8.420 -5.900 9.942
549 HD3 LYS 77 HD3 LYS 77 7.573 -4.416 10.388
550 HE2 LYS 77 HE2 LYS 77 7.426 -5.206 12.720
551 HE3 LYS 77 HE3 LYS 77 8.255 -6.701 12.271
552 HZ1 LYS 77 HZ1 LYS 77 9.381 -3.956 12.126
553 HZ2 LYS 77 HZ2 LYS 77 10.168 -5.352 11.596
554 HZ3 LYS 77 HZ3 LYS 77 9.805 -5.161 13.235
555 H GLY 78 H GLY 78 3.755 -4.369 8.638
556 HA2 GLY 78 HA2 GLY 78 1.023 -4.888 9.385
557 HA3 GLY 78 HA3 GLY 78 1.976 -4.207 10.706
558 H GLU 79 H GLU 79 3.164 -2.201 10.234
559 HA GLU 79 HA GLU 79 1.608 -0.284 8.681
560 HB2 GLU 79 HB2 GLU 79 4.084 0.027 10.441
561 HB3 GLU 79 HB3 GLU 79 3.329 1.362 9.588
562 HG2 GLU 79 HG2 GLU 79 2.647 1.442 11.884
563 HG3 GLU 79 HG3 GLU 79 1.254 0.999 10.899
564 H TRP 80 H TRP 80 2.175 0.446 6.672
565 HA TRP 80 HA TRP 80 4.652 -0.586 5.418
566 HB2 TRP 80 HB2 TRP 80 2.625 -1.318 4.294
567 HB3 TRP 80 HB3 TRP 80 1.953 0.306 4.310
568 HD1 TRP 80 HD1 TRP 80 4.829 -1.670 2.547
569 HE1 TRP 80 HE1 TRP 80 5.249 -0.557 0.264
570 HE3 TRP 80 HE3 TRP 80 1.620 2.274 2.994
571 HZ2 TRP 80 HZ2 TRP 80 4.330 1.707 -1.169
572 HZ3 TRP 80 HZ3 TRP 80 1.433 3.872 1.121
573 HH2 TRP 80 HH2 TRP 80 2.764 3.593 -0.917
574 H LEU 81 H LEU 81 6.136 0.841 4.557
575 HA LEU 81 HA LEU 81 5.818 3.736 4.995
576 HB2 LEU 81 HB2 LEU 81 8.218 2.030 4.220
577 HB3 LEU 81 HB3 LEU 81 8.281 3.783 4.337
578 HG LEU 81 HG LEU 81 7.620 1.940 6.674
579 HD11 LEU 81 HD11 LEU 81 9.928 1.573 5.964
580 HD12 LEU 81 HD12 LEU 81 9.874 2.413 7.512
581 HD13 LEU 81 HD13 LEU 81 10.252 3.309 6.036
582 HD21 LEU 81 HD21 LEU 81 7.963 3.947 8.056
583 HD22 LEU 81 HD22 LEU 81 6.648 4.177 6.907
584 HD23 LEU 81 HD23 LEU 81 8.223 4.919 6.601
585 H CYS 82 H CYS 82 5.302 5.068 3.320
586 HA CYS 82 HA CYS 82 4.955 4.181 0.645
587 HB2 CYS 82 HB2 CYS 82 4.475 6.535 0.115
588 HB3 CYS 82 HB3 CYS 82 3.655 6.063 1.601
589 HA PRO 83 HA PRO 83 8.977 4.551 -1.359
590 HB2 PRO 83 HB2 PRO 83 7.679 6.555 -3.228
591 HB3 PRO 83 HB3 PRO 83 8.682 5.138 -3.616
592 HG2 PRO 83 HG2 PRO 83 6.068 4.970 -3.936
593 HG3 PRO 83 HG3 PRO 83 6.947 3.614 -3.186
594 HD2 PRO 83 HD2 PRO 83 5.243 5.714 -1.859
595 HD3 PRO 83 HD3 PRO 83 5.371 3.974 -1.504
596 H ARG 84 H ARG 84 7.307 7.609 -0.683
597 HA ARG 84 HA ARG 84 9.651 9.280 -0.706
598 HB2 ARG 84 HB2 ARG 84 7.375 10.163 -1.186
599 HB3 ARG 84 HB3 ARG 84 6.864 9.765 0.442
600 HG2 ARG 84 HG2 ARG 84 7.203 12.137 0.300
601 HG3 ARG 84 HG3 ARG 84 8.465 11.470 1.330
602 HD2 ARG 84 HD2 ARG 84 8.926 12.062 -1.611
603 HD3 ARG 84 HD3 ARG 84 9.130 13.291 -0.364
604 HE ARG 84 HE ARG 84 10.755 11.549 0.643
605 HH11 ARG 84 HH11 ARG 84 10.376 12.124 -2.821
606 HH12 ARG 84 HH12 ARG 84 12.009 11.663 -3.181
607 HH21 ARG 84 HH21 ARG 84 12.894 11.023 0.130
608 HH22 ARG 84 HH22 ARG 84 13.418 11.048 -1.526
609 H CYS 85 H CYS 85 7.941 7.404 1.778
610 HA CYS 85 HA CYS 85 9.387 8.454 4.039
611 HB2 CYS 85 HB2 CYS 85 7.691 5.957 3.675
612 HB3 CYS 85 HB3 CYS 85 8.421 6.418 5.209
613 H VAL 86 H VAL 86 9.800 5.670 1.849
614 HA VAL 86 HA VAL 86 11.891 4.303 2.957
615 HB VAL 86 HB VAL 86 11.493 4.971 0.006
616 HG11 VAL 86 HG11 VAL 86 13.281 2.833 1.243
617 HG12 VAL 86 HG12 VAL 86 13.818 4.258 0.347
618 HG13 VAL 86 HG13 VAL 86 12.919 2.987 -0.480
619 HG21 VAL 86 HG21 VAL 86 10.435 2.722 -0.111
620 HG22 VAL 86 HG22 VAL 86 9.586 3.773 1.022
621 HG23 VAL 86 HG23 VAL 86 10.669 2.518 1.628
622 H VAL 87 H VAL 87 12.327 7.062 0.680
623 HA VAL 87 HA VAL 87 14.949 7.652 1.881
624 HB VAL 87 HB VAL 87 13.557 9.211 -0.311
625 HG11 VAL 87 HG11 VAL 87 15.359 10.470 0.763
626 HG12 VAL 87 HG12 VAL 87 15.850 10.017 -0.869
627 HG13 VAL 87 HG13 VAL 87 16.484 9.129 0.521
628 HG21 VAL 87 HG21 VAL 87 14.955 7.947 -1.945
629 HG22 VAL 87 HG22 VAL 87 13.788 6.925 -1.105
630 HG23 VAL 87 HG23 VAL 87 15.492 6.889 -0.632
631 H GLU 88 H GLU 88 13.864 7.951 3.879
632 HA GLU 88 HA GLU 88 12.095 10.032 4.579
633 HB2 GLU 88 HB2 GLU 88 12.955 9.640 6.924
634 HB3 GLU 88 HB3 GLU 88 12.431 8.175 6.099
635 HG2 GLU 88 HG2 GLU 88 14.759 7.568 5.623
636 HG3 GLU 88 HG3 GLU 88 15.322 9.068 6.361
637 H GLU 89 H GLU 89 12.534 12.065 5.619
638 HA GLU 89 HA GLU 89 14.862 13.429 4.597
639 HB2 GLU 89 HB2 GLU 89 12.643 14.560 4.662
640 HB3 GLU 89 HB3 GLU 89 12.663 14.496 6.423
641 HG2 GLU 89 HG2 GLU 89 13.316 16.726 5.578
642 HG3 GLU 89 HG3 GLU 89 14.623 15.968 6.493
643 H VAL 90 H VAL 90 16.712 13.688 5.615
644 HA VAL 90 HA VAL 90 17.000 12.918 8.459
645 HB VAL 90 HB VAL 90 18.261 11.541 6.798
646 HG11 VAL 90 HG11 VAL 90 19.832 14.064 6.162
647 HG12 VAL 90 HG12 VAL 90 18.711 13.238 5.077
648 HG13 VAL 90 HG13 VAL 90 20.201 12.437 5.580
649 HG21 VAL 90 HG21 VAL 90 19.125 11.692 9.082
650 HG22 VAL 90 HG22 VAL 90 20.042 13.143 8.672
651 HG23 VAL 90 HG23 VAL 90 20.468 11.594 7.939
652 H SER 91 H SER 91 17.585 15.501 6.123
653 HA SER 91 HA SER 91 18.858 17.185 8.205
654 HB2 SER 91 HB2 SER 91 20.524 16.306 6.546
655 HB3 SER 91 HB3 SER 91 19.610 17.068 5.246
656 HG SER 91 HG SER 91 20.763 18.432 7.460
657 H LYS 92 H LYS 92 17.554 18.794 8.644
658 HA LYS 92 HA LYS 92 16.276 20.621 8.560
659 HB2 LYS 92 HB2 LYS 92 17.566 21.543 6.728
660 HB3 LYS 92 HB3 LYS 92 16.730 20.528 5.557
661 HG2 LYS 92 HG2 LYS 92 14.607 21.761 6.060
662 HG3 LYS 92 HG3 LYS 92 15.514 22.830 7.136
663 HD2 LYS 92 HD2 LYS 92 16.874 23.613 5.228
664 HD3 LYS 92 HD3 LYS 92 16.034 22.494 4.149
665 HE2 LYS 92 HE2 LYS 92 13.915 23.692 4.563
666 HE3 LYS 92 HE3 LYS 92 14.753 24.809 5.641
667 HZ1 LYS 92 HZ1 LYS 92 14.430 25.721 3.421
668 HZ2 LYS 92 HZ2 LYS 92 15.343 24.467 2.752
669 HZ3 LYS 92 HZ3 LYS 92 16.071 25.579 3.794
670 HA PRO 93 HA PRO 93 12.185 18.610 7.823
671 HB2 PRO 93 HB2 PRO 93 11.589 20.222 10.274
672 HB3 PRO 93 HB3 PRO 93 11.248 18.511 9.948
673 HG2 PRO 93 HG2 PRO 93 13.154 19.240 11.693
674 HG3 PRO 93 HG3 PRO 93 13.334 17.801 10.664
675 HD2 PRO 93 HD2 PRO 93 14.570 20.531 10.318
676 HD3 PRO 93 HD3 PRO 93 15.298 18.924 10.075
677 H GLN 94 H GLN 94 11.581 19.783 6.087
678 HA GLN 94 HA GLN 94 11.860 22.543 5.660
679 HB2 GLN 94 HB2 GLN 94 11.696 20.864 3.875
680 HB3 GLN 94 HB3 GLN 94 10.027 20.517 4.308
681 HG2 GLN 94 HG2 GLN 94 9.422 22.852 3.629
682 HG3 GLN 94 HG3 GLN 94 11.095 23.100 3.117
683 HE21 GLN 94 HE21 GLN 94 10.492 23.427 0.958
684 HE22 GLN 94 HE22 GLN 94 9.969 22.135 -0.066
Start of MODEL 15
1 H1 SER 1 H1 SER 1 -53.563 21.121 -84.388
2 H2 SER 1 H2 SER 1 -53.039 19.533 -84.145
3 H3 SER 1 H3 SER 1 -52.288 20.804 -83.322
4 HA SER 1 HA SER 1 -54.303 21.275 -82.111
5 HB2 SER 1 HB2 SER 1 -55.435 18.793 -83.505
6 HB3 SER 1 HB3 SER 1 -56.274 19.805 -82.326
7 HG SER 1 HG SER 1 -56.015 21.554 -83.873
8 H HIS 2 H HIS 2 -52.699 20.838 -80.548
9 HA HIS 2 HA HIS 2 -52.687 18.077 -79.461
10 HB2 HIS 2 HB2 HIS 2 -50.408 18.544 -78.547
11 HB3 HIS 2 HB3 HIS 2 -50.435 18.642 -80.306
12 HD2 HIS 2 HD2 HIS 2 -49.679 20.876 -77.234
13 HE1 HIS 2 HE1 HIS 2 -49.268 23.242 -80.711
14 HE2 HIS 2 HE2 HIS 2 -49.130 23.214 -78.187
15 H MET 3 H MET 3 -52.744 17.949 -77.159
16 HA MET 3 HA MET 3 -53.839 20.336 -75.773
17 HB2 MET 3 HB2 MET 3 -54.511 17.384 -75.329
18 HB3 MET 3 HB3 MET 3 -55.146 18.712 -74.369
19 HG2 MET 3 HG2 MET 3 -56.390 19.570 -76.261
20 HG3 MET 3 HG3 MET 3 -55.621 18.403 -77.341
21 HE1 MET 3 HE1 MET 3 -58.820 18.731 -77.228
22 HE2 MET 3 HE2 MET 3 -59.283 17.031 -77.247
23 HE3 MET 3 HE3 MET 3 -57.960 17.590 -78.268
24 H SER 4 H SER 4 -51.503 20.758 -75.503
25 HA SER 4 HA SER 4 -49.847 19.111 -73.852
26 HB2 SER 4 HB2 SER 4 -48.875 20.683 -75.489
27 HB3 SER 4 HB3 SER 4 -49.579 22.058 -74.630
28 HG SER 4 HG SER 4 -47.657 20.222 -73.590
29 H GLY 5 H GLY 5 -50.849 18.677 -71.945
30 HA2 GLY 5 HA2 GLY 5 -50.431 19.989 -69.639
31 HA3 GLY 5 HA3 GLY 5 -51.944 20.720 -70.179
32 H GLY 6 H GLY 6 -53.015 19.829 -68.351
33 HA2 GLY 6 HA2 GLY 6 -54.693 18.313 -67.717
34 HA3 GLY 6 HA3 GLY 6 -53.970 17.077 -68.734
35 H SER 7 H SER 7 -51.506 18.511 -66.981
36 HA SER 7 HA SER 7 -51.223 16.301 -65.141
37 HB2 SER 7 HB2 SER 7 -49.219 17.298 -66.185
38 HB3 SER 7 HB3 SER 7 -49.600 18.874 -65.493
39 HG SER 7 HG SER 7 -48.080 17.955 -64.181
40 HA PRO 8 HA PRO 8 -53.428 18.664 -61.888
41 HB2 PRO 8 HB2 PRO 8 -53.795 16.634 -60.122
42 HB3 PRO 8 HB3 PRO 8 -54.682 16.663 -61.659
43 HG2 PRO 8 HG2 PRO 8 -52.245 15.076 -60.937
44 HG3 PRO 8 HG3 PRO 8 -53.701 14.558 -61.816
45 HD2 PRO 8 HD2 PRO 8 -51.340 15.314 -63.061
46 HD3 PRO 8 HD3 PRO 8 -52.940 15.390 -63.830
47 H LEU 9 H LEU 9 -50.916 19.469 -62.053
48 HA LEU 9 HA LEU 9 -49.063 18.413 -60.182
49 HB2 LEU 9 HB2 LEU 9 -47.573 20.259 -60.757
50 HB3 LEU 9 HB3 LEU 9 -48.215 19.485 -62.185
51 HG LEU 9 HG LEU 9 -49.302 22.139 -61.151
52 HD11 LEU 9 HD11 LEU 9 -47.105 21.779 -63.209
53 HD12 LEU 9 HD12 LEU 9 -46.911 22.442 -61.585
54 HD13 LEU 9 HD13 LEU 9 -47.885 23.302 -62.773
55 HD21 LEU 9 HD21 LEU 9 -50.132 22.469 -63.430
56 HD22 LEU 9 HD22 LEU 9 -50.780 20.978 -62.752
57 HD23 LEU 9 HD23 LEU 9 -49.462 20.912 -63.925
58 H ALA 10 H ALA 10 -50.143 18.374 -58.238
59 HA ALA 10 HA ALA 10 -50.467 20.943 -56.773
60 HB1 ALA 10 HB1 ALA 10 -52.045 19.732 -55.295
61 HB2 ALA 10 HB2 ALA 10 -51.841 18.265 -56.257
62 HB3 ALA 10 HB3 ALA 10 -52.591 19.693 -56.971
63 H THR 11 H THR 11 -48.205 20.957 -56.374
64 HA THR 11 HA THR 11 -47.106 18.842 -54.633
65 HB THR 11 HB THR 11 -45.733 19.337 -56.605
66 HG1 THR 11 HG1 THR 11 -43.814 20.244 -55.255
67 HG21 THR 11 HG21 THR 11 -46.417 21.696 -56.992
68 HG22 THR 11 HG22 THR 11 -44.664 21.510 -56.975
69 HG23 THR 11 HG23 THR 11 -45.487 22.186 -55.571
70 H GLY 12 H GLY 12 -46.698 19.224 -52.540
71 HA2 GLY 12 HA2 GLY 12 -45.882 21.374 -51.127
72 HA3 GLY 12 HA3 GLY 12 -47.614 21.679 -51.281
73 H THR 13 H THR 13 -45.514 18.857 -50.609
74 HA THR 13 HA THR 13 -47.270 17.705 -48.666
75 HB THR 13 HB THR 13 -45.208 16.239 -48.102
76 HG1 THR 13 HG1 THR 13 -44.157 17.483 -50.439
77 HG21 THR 13 HG21 THR 13 -46.971 15.444 -49.642
78 HG22 THR 13 HG22 THR 13 -45.376 14.896 -50.156
79 HG23 THR 13 HG23 THR 13 -46.151 16.241 -50.991
80 H THR 14 H THR 14 -47.683 19.336 -47.168
81 HA THR 14 HA THR 14 -45.602 20.702 -45.710
82 HB THR 14 HB THR 14 -47.598 21.960 -46.079
83 HG1 THR 14 HG1 THR 14 -48.102 22.582 -43.985
84 HG21 THR 14 HG21 THR 14 -49.253 20.143 -46.386
85 HG22 THR 14 HG22 THR 14 -49.840 21.367 -45.259
86 HG23 THR 14 HG23 THR 14 -49.230 19.828 -44.648
87 H ALA 15 H ALA 15 -44.479 19.787 -44.135
88 HA ALA 15 HA ALA 15 -45.614 18.256 -41.983
89 HB1 ALA 15 HB1 ALA 15 -44.361 16.168 -42.404
90 HB2 ALA 15 HB2 ALA 15 -43.773 16.811 -43.940
91 HB3 ALA 15 HB3 ALA 15 -45.494 16.492 -43.715
92 H ASN 16 H ASN 16 -44.137 17.959 -40.268
93 HA ASN 16 HA ASN 16 -41.297 18.247 -40.613
94 HB2 ASN 16 HB2 ASN 16 -40.930 20.038 -38.934
95 HB3 ASN 16 HB3 ASN 16 -41.816 20.632 -40.330
96 HD21 ASN 16 HD21 ASN 16 -42.630 22.425 -39.190
97 HD22 ASN 16 HD22 ASN 16 -43.836 22.278 -37.960
98 H THR 17 H THR 17 -40.111 17.325 -38.941
99 HA THR 17 HA THR 17 -41.589 15.759 -36.949
100 HB THR 17 HB THR 17 -39.825 14.568 -38.191
101 HG1 THR 17 HG1 THR 17 -40.192 13.976 -36.021
102 HG21 THR 17 HG21 THR 17 -38.266 16.425 -38.683
103 HG22 THR 17 HG22 THR 17 -37.428 15.079 -37.910
104 HG23 THR 17 HG23 THR 17 -37.833 16.520 -36.974
105 H ARG 18 H ARG 18 -41.748 16.440 -34.855
106 HA ARG 18 HA ARG 18 -40.009 18.483 -33.743
107 HB2 ARG 18 HB2 ARG 18 -41.833 20.078 -33.272
108 HB3 ARG 18 HB3 ARG 18 -41.617 19.848 -35.003
109 HG2 ARG 18 HG2 ARG 18 -43.599 18.370 -35.073
110 HG3 ARG 18 HG3 ARG 18 -43.807 18.557 -33.329
111 HD2 ARG 18 HD2 ARG 18 -44.034 20.760 -35.411
112 HD3 ARG 18 HD3 ARG 18 -45.362 20.005 -34.519
113 HE ARG 18 HE ARG 18 -43.366 21.176 -32.813
114 HH11 ARG 18 HH11 ARG 18 -46.287 21.889 -34.642
115 HH12 ARG 18 HH12 ARG 18 -46.682 23.275 -33.668
116 HH21 ARG 18 HH21 ARG 18 -43.904 22.953 -31.550
117 HH22 ARG 18 HH22 ARG 18 -45.335 23.873 -31.919
118 H GLY 19 H GLY 19 -40.283 18.818 -31.524
119 HA2 GLY 19 HA2 GLY 19 -41.977 18.087 -29.631
120 HA3 GLY 19 HA3 GLY 19 -41.297 16.511 -30.038
121 H ALA 20 H ALA 20 -41.017 17.652 -27.501
122 HA ALA 20 HA ALA 20 -38.473 18.897 -27.113
123 HB1 ALA 20 HB1 ALA 20 -38.816 18.382 -24.717
124 HB2 ALA 20 HB2 ALA 20 -40.192 17.352 -25.130
125 HB3 ALA 20 HB3 ALA 20 -40.265 19.089 -25.433
126 H SER 21 H SER 21 -36.808 17.788 -28.025
127 HA SER 21 HA SER 21 -36.500 14.914 -27.830
128 HB2 SER 21 HB2 SER 21 -34.564 17.004 -28.933
129 HB3 SER 21 HB3 SER 21 -34.526 15.266 -29.242
130 HG SER 21 HG SER 21 -36.956 16.366 -29.859
131 H GLN 22 H GLN 22 -36.569 14.919 -25.464
132 HA GLN 22 HA GLN 22 -34.490 16.040 -23.865
133 HB2 GLN 22 HB2 GLN 22 -36.893 15.183 -23.140
134 HB3 GLN 22 HB3 GLN 22 -36.129 13.613 -23.016
135 HG2 GLN 22 HG2 GLN 22 -35.503 16.094 -21.395
136 HG3 GLN 22 HG3 GLN 22 -36.226 14.601 -20.818
137 HE21 GLN 22 HE21 GLN 22 -34.838 12.731 -20.628
138 HE22 GLN 22 HE22 GLN 22 -33.132 12.922 -20.438
139 H LYS 23 H LYS 23 -32.438 15.362 -23.887
140 HA LYS 23 HA LYS 23 -31.419 13.180 -25.308
141 HB2 LYS 23 HB2 LYS 23 -29.250 13.712 -24.105
142 HB3 LYS 23 HB3 LYS 23 -29.996 15.088 -24.900
143 HG2 LYS 23 HG2 LYS 23 -30.846 15.915 -22.750
144 HG3 LYS 23 HG3 LYS 23 -30.180 14.503 -21.926
145 HD2 LYS 23 HD2 LYS 23 -27.888 15.224 -22.578
146 HD3 LYS 23 HD3 LYS 23 -28.569 16.649 -23.368
147 HE2 LYS 23 HE2 LYS 23 -29.462 17.421 -21.185
148 HE3 LYS 23 HE3 LYS 23 -28.760 16.002 -20.403
149 HZ1 LYS 23 HZ1 LYS 23 -26.570 16.762 -21.047
150 HZ2 LYS 23 HZ2 LYS 23 -27.367 17.955 -20.149
151 HZ3 LYS 23 HZ3 LYS 23 -27.232 18.113 -21.827
152 H LYS 24 H LYS 24 -32.076 11.190 -24.832
153 HA LYS 24 HA LYS 24 -32.617 10.113 -22.252
154 HB2 LYS 24 HB2 LYS 24 -32.731 7.909 -23.476
155 HB3 LYS 24 HB3 LYS 24 -33.739 9.167 -24.173
156 HG2 LYS 24 HG2 LYS 24 -31.940 9.557 -25.918
157 HG3 LYS 24 HG3 LYS 24 -31.088 8.157 -25.261
158 HD2 LYS 24 HD2 LYS 24 -32.397 7.534 -27.267
159 HD3 LYS 24 HD3 LYS 24 -33.003 6.700 -25.833
160 HE2 LYS 24 HE2 LYS 24 -34.858 8.287 -25.664
161 HE3 LYS 24 HE3 LYS 24 -34.238 9.207 -27.035
162 HZ1 LYS 24 HZ1 LYS 24 -35.154 6.385 -27.145
163 HZ2 LYS 24 HZ2 LYS 24 -34.629 7.319 -28.457
164 HZ3 LYS 24 HZ3 LYS 24 -36.057 7.721 -27.641
165 H GLY 25 H GLY 25 -31.351 8.846 -20.911
166 HA2 GLY 25 HA2 GLY 25 -29.487 7.861 -19.994
167 HA3 GLY 25 HA3 GLY 25 -28.667 7.964 -21.545
168 H GLY 26 H GLY 26 -28.293 8.894 -18.490
169 HA2 GLY 26 HA2 GLY 26 -26.417 11.006 -19.162
170 HA3 GLY 26 HA3 GLY 26 -27.793 11.547 -18.197
171 H GLU 27 H GLU 27 -27.878 11.076 -16.038
172 HA GLU 27 HA GLU 27 -27.485 10.267 -13.989
173 HB2 GLU 27 HB2 GLU 27 -26.327 7.871 -15.463
174 HB3 GLU 27 HB3 GLU 27 -26.713 7.894 -13.744
175 HG2 GLU 27 HG2 GLU 27 -29.088 8.271 -14.242
176 HG3 GLU 27 HG3 GLU 27 -28.735 8.346 -15.965
177 HA PRO 28 HA PRO 28 -23.359 11.976 -13.108
178 HB2 PRO 28 HB2 PRO 28 -23.573 11.866 -10.320
179 HB3 PRO 28 HB3 PRO 28 -24.290 13.146 -11.316
180 HG2 PRO 28 HG2 PRO 28 -25.595 10.686 -10.196
181 HG3 PRO 28 HG3 PRO 28 -26.204 12.359 -10.248
182 HD2 PRO 28 HD2 PRO 28 -27.054 10.527 -12.020
183 HD3 PRO 28 HD3 PRO 28 -26.795 12.216 -12.509
184 HA PRO 29 HA PRO 29 -20.967 8.152 -12.744
185 HB2 PRO 29 HB2 PRO 29 -18.499 9.261 -12.063
186 HB3 PRO 29 HB3 PRO 29 -19.147 9.223 -13.712
187 HG2 PRO 29 HG2 PRO 29 -19.204 11.467 -11.728
188 HG3 PRO 29 HG3 PRO 29 -18.844 11.518 -13.468
189 HD2 PRO 29 HD2 PRO 29 -21.253 12.262 -12.528
190 HD3 PRO 29 HD3 PRO 29 -21.107 11.393 -14.073
191 H ALA 30 H ALA 30 -21.585 6.955 -11.067
192 HA ALA 30 HA ALA 30 -21.819 5.968 -9.065
193 HB1 ALA 30 HB1 ALA 30 -19.387 7.591 -8.231
194 HB2 ALA 30 HB2 ALA 30 -19.356 5.998 -8.988
195 HB3 ALA 30 HB3 ALA 30 -20.040 6.191 -7.374
196 H LEU 31 H LEU 31 -21.722 6.734 -6.463
197 HA LEU 31 HA LEU 31 -23.775 8.839 -6.277
198 HB2 LEU 31 HB2 LEU 31 -24.363 7.937 -4.138
199 HB3 LEU 31 HB3 LEU 31 -24.187 6.584 -5.234
200 HG LEU 31 HG LEU 31 -22.038 7.386 -3.217
201 HD11 LEU 31 HD11 LEU 31 -24.176 5.253 -2.890
202 HD12 LEU 31 HD12 LEU 31 -24.047 6.762 -1.981
203 HD13 LEU 31 HD13 LEU 31 -22.808 5.526 -1.806
204 HD21 LEU 31 HD21 LEU 31 -21.172 6.036 -5.090
205 HD22 LEU 31 HD22 LEU 31 -22.369 4.784 -4.751
206 HD23 LEU 31 HD23 LEU 31 -21.112 5.148 -3.568
207 H ILE 32 H ILE 32 -20.676 9.154 -6.474
208 HA ILE 32 HA ILE 32 -18.893 10.168 -5.600
209 HB ILE 32 HB ILE 32 -20.987 11.944 -4.267
210 HG12 ILE 32 HG12 ILE 32 -20.078 13.677 -5.898
211 HG13 ILE 32 HG13 ILE 32 -19.084 12.426 -6.616
212 HG21 ILE 32 HG21 ILE 32 -19.025 11.987 -2.779
213 HG22 ILE 32 HG22 ILE 32 -19.158 13.522 -3.633
214 HG23 ILE 32 HG23 ILE 32 -17.962 12.333 -4.146
215 HD11 ILE 32 HD11 ILE 32 -21.055 12.904 -7.948
216 HD12 ILE 32 HD12 ILE 32 -22.094 12.475 -6.592
217 HD13 ILE 32 HD13 ILE 32 -21.084 11.244 -7.351
218 H VAL 33 H VAL 33 -17.931 8.554 -4.550
219 HA VAL 33 HA VAL 33 -18.995 7.356 -2.158
220 HB VAL 33 HB VAL 33 -17.137 5.759 -2.336
221 HG11 VAL 33 HG11 VAL 33 -19.074 5.354 -3.757
222 HG12 VAL 33 HG12 VAL 33 -17.612 4.847 -4.601
223 HG13 VAL 33 HG13 VAL 33 -18.400 6.366 -5.037
224 HG21 VAL 33 HG21 VAL 33 -16.031 7.506 -4.574
225 HG22 VAL 33 HG22 VAL 33 -15.402 5.926 -4.099
226 HG23 VAL 33 HG23 VAL 33 -15.311 7.284 -2.979
227 H ASP 34 H ASP 34 -16.638 9.803 -2.859
228 HA ASP 34 HA ASP 34 -15.978 10.248 -0.093
229 HB2 ASP 34 HB2 ASP 34 -14.470 8.411 -0.386
230 HB3 ASP 34 HB3 ASP 34 -13.927 8.995 -1.953
231 HA PRO 35 HA PRO 35 -14.577 14.108 -2.101
232 HB2 PRO 35 HB2 PRO 35 -15.926 15.859 -0.586
233 HB3 PRO 35 HB3 PRO 35 -16.792 14.826 -1.741
234 HG2 PRO 35 HG2 PRO 35 -16.720 14.643 1.228
235 HG3 PRO 35 HG3 PRO 35 -17.988 14.134 0.094
236 HD2 PRO 35 HD2 PRO 35 -15.884 12.499 1.272
237 HD3 PRO 35 HD3 PRO 35 -17.210 11.989 0.201
238 H LEU 36 H LEU 36 -13.690 12.690 0.897
239 HA LEU 36 HA LEU 36 -12.247 15.125 1.858
240 HB2 LEU 36 HB2 LEU 36 -13.636 12.973 3.510
241 HB3 LEU 36 HB3 LEU 36 -12.616 14.228 4.192
242 HG LEU 36 HG LEU 36 -15.274 14.677 2.770
243 HD11 LEU 36 HD11 LEU 36 -15.561 13.705 5.002
244 HD12 LEU 36 HD12 LEU 36 -16.101 15.380 4.983
245 HD13 LEU 36 HD13 LEU 36 -14.547 14.966 5.711
246 HD21 LEU 36 HD21 LEU 36 -13.427 16.734 4.045
247 HD22 LEU 36 HD22 LEU 36 -15.052 17.054 3.432
248 HD23 LEU 36 HD23 LEU 36 -13.774 16.566 2.321
249 H MET 37 H MET 37 -11.740 12.057 0.698
250 HA MET 37 HA MET 37 -10.123 10.530 0.650
251 HB2 MET 37 HB2 MET 37 -8.555 12.601 0.589
252 HB3 MET 37 HB3 MET 37 -8.242 12.278 2.287
253 HG2 MET 37 HG2 MET 37 -7.693 10.335 0.014
254 HG3 MET 37 HG3 MET 37 -6.490 11.372 0.776
255 HE1 MET 37 HE1 MET 37 -5.977 9.749 4.265
256 HE2 MET 37 HE2 MET 37 -6.920 11.182 3.862
257 HE3 MET 37 HE3 MET 37 -5.363 10.908 3.079
258 H LYS 38 H LYS 38 -11.590 9.323 1.894
259 HA LYS 38 HA LYS 38 -11.117 9.023 4.777
260 HB2 LYS 38 HB2 LYS 38 -13.104 7.625 2.928
261 HB3 LYS 38 HB3 LYS 38 -13.051 7.453 4.680
262 HG2 LYS 38 HG2 LYS 38 -13.630 9.813 4.964
263 HG3 LYS 38 HG3 LYS 38 -13.613 10.049 3.213
264 HD2 LYS 38 HD2 LYS 38 -15.473 8.366 3.025
265 HD3 LYS 38 HD3 LYS 38 -15.528 8.284 4.789
266 HE2 LYS 38 HE2 LYS 38 -16.094 10.687 4.878
267 HE3 LYS 38 HE3 LYS 38 -16.037 10.765 3.114
268 HZ1 LYS 38 HZ1 LYS 38 -17.829 9.096 3.068
269 HZ2 LYS 38 HZ2 LYS 38 -18.290 10.539 3.817
270 HZ3 LYS 38 HZ3 LYS 38 -17.934 9.177 4.754
271 H TYR 39 H TYR 39 -8.876 8.451 3.531
272 HA TYR 39 HA TYR 39 -7.198 6.996 3.224
273 HB2 TYR 39 HB2 TYR 39 -8.821 5.251 5.128
274 HB3 TYR 39 HB3 TYR 39 -7.101 5.076 4.783
275 HD1 TYR 39 HD2 TYR 39 -5.607 7.197 5.246
276 HD2 TYR 39 HD1 TYR 39 -9.466 6.607 6.986
277 HE1 TYR 39 HE2 TYR 39 -5.065 8.822 7.003
278 HE2 TYR 39 HE1 TYR 39 -8.928 8.251 8.732
279 HH TYR 39 HH TYR 39 -6.957 9.205 9.803
280 H ILE 40 H ILE 40 -7.954 6.906 1.026
281 HA ILE 40 HA ILE 40 -8.883 4.237 0.128
282 HB ILE 40 HB ILE 40 -9.411 6.998 -1.046
283 HG12 ILE 40 HG12 ILE 40 -11.229 4.779 -0.012
284 HG13 ILE 40 HG13 ILE 40 -11.015 6.380 0.680
285 HG21 ILE 40 HG21 ILE 40 -9.981 4.349 -2.418
286 HG22 ILE 40 HG22 ILE 40 -8.803 5.553 -2.939
287 HG23 ILE 40 HG23 ILE 40 -10.525 5.931 -2.979
288 HD11 ILE 40 HD11 ILE 40 -13.133 6.244 -0.415
289 HD12 ILE 40 HD12 ILE 40 -12.385 5.695 -1.913
290 HD13 ILE 40 HD13 ILE 40 -12.098 7.339 -1.334
291 H CYS 41 H CYS 41 -7.860 3.341 -1.702
292 HA CYS 41 HA CYS 41 -5.075 3.680 -1.922
293 HB2 CYS 41 HB2 CYS 41 -6.191 1.543 -2.407
294 HB3 CYS 41 HB3 CYS 41 -7.018 2.265 -3.785
295 H HIS 42 H HIS 42 -4.084 5.256 -2.874
296 HA HIS 42 HA HIS 42 -5.295 7.315 -4.368
297 HB2 HIS 42 HB2 HIS 42 -3.134 7.310 -2.833
298 HB3 HIS 42 HB3 HIS 42 -2.281 6.915 -4.325
299 HD1 HIS 42 HD1 HIS 42 -3.253 9.695 -2.333
300 HD2 HIS 42 HD2 HIS 42 -2.928 9.002 -6.404
301 HE1 HIS 42 HE1 HIS 42 -3.154 11.968 -3.394
302 HE2 HIS 42 HE2 HIS 42 -2.965 11.527 -5.859
303 H ILE 43 H ILE 43 -3.984 4.329 -5.311
304 HA ILE 43 HA ILE 43 -3.293 5.019 -8.058
305 HB ILE 43 HB ILE 43 -3.332 2.291 -6.669
306 HG12 ILE 43 HG12 ILE 43 -0.987 4.172 -7.221
307 HG13 ILE 43 HG13 ILE 43 -1.691 3.864 -5.641
308 HG21 ILE 43 HG21 ILE 43 -2.095 3.061 -9.346
309 HG22 ILE 43 HG22 ILE 43 -3.536 2.062 -9.126
310 HG23 ILE 43 HG23 ILE 43 -1.963 1.485 -8.571
311 HD11 ILE 43 HD11 ILE 43 -0.205 1.878 -7.349
312 HD12 ILE 43 HD12 ILE 43 -0.952 1.528 -5.788
313 HD13 ILE 43 HD13 ILE 43 0.380 2.682 -5.893
314 H CYS 44 H CYS 44 -5.919 3.456 -6.233
315 HA CYS 44 HA CYS 44 -7.194 2.339 -8.611
316 HB2 CYS 44 HB2 CYS 44 -8.032 2.188 -5.683
317 HB3 CYS 44 HB3 CYS 44 -8.638 1.201 -7.020
318 H ASN 45 H ASN 45 -7.659 4.963 -6.391
319 HA ASN 45 HA ASN 45 -9.018 6.733 -6.247
320 HB2 ASN 45 HB2 ASN 45 -9.024 6.707 -8.798
321 HB3 ASN 45 HB3 ASN 45 -10.544 5.829 -8.714
322 HD21 ASN 45 HD21 ASN 45 -9.007 8.879 -8.482
323 HD22 ASN 45 HD22 ASN 45 -10.415 9.834 -8.201
324 H ARG 46 H ARG 46 -10.812 3.748 -7.095
325 HA ARG 46 HA ARG 46 -12.860 4.283 -5.073
326 HB2 ARG 46 HB2 ARG 46 -12.361 1.876 -6.878
327 HB3 ARG 46 HB3 ARG 46 -13.678 1.977 -5.716
328 HG2 ARG 46 HG2 ARG 46 -14.580 3.955 -6.935
329 HG3 ARG 46 HG3 ARG 46 -13.296 3.771 -8.134
330 HD2 ARG 46 HD2 ARG 46 -15.416 2.773 -8.916
331 HD3 ARG 46 HD3 ARG 46 -14.161 1.542 -8.742
332 HE ARG 46 HE ARG 46 -15.481 1.486 -6.351
333 HH11 ARG 46 HH11 ARG 46 -16.573 1.113 -9.682
334 HH12 ARG 46 HH12 ARG 46 -17.895 0.076 -9.256
335 HH21 ARG 46 HH21 ARG 46 -17.188 0.109 -5.809
336 HH22 ARG 46 HH22 ARG 46 -18.241 -0.495 -7.050
337 H GLY 47 H GLY 47 -12.990 3.289 -3.094
338 HA2 GLY 47 HA2 GLY 47 -10.724 1.585 -2.192
339 HA3 GLY 47 HA3 GLY 47 -11.386 2.889 -1.223
340 H ASP 48 H ASP 48 -13.016 0.397 -3.142
341 HA ASP 48 HA ASP 48 -14.983 -0.205 -1.192
342 HB2 ASP 48 HB2 ASP 48 -14.081 -1.871 -3.587
343 HB3 ASP 48 HB3 ASP 48 -15.532 -2.186 -2.642
344 H VAL 49 H VAL 49 -12.159 -2.125 -2.281
345 HA VAL 49 HA VAL 49 -12.312 -3.958 -0.049
346 HB VAL 49 HB VAL 49 -10.068 -3.660 -2.095
347 HG11 VAL 49 HG11 VAL 49 -10.763 -5.988 -0.259
348 HG12 VAL 49 HG12 VAL 49 -9.354 -4.932 -0.123
349 HG13 VAL 49 HG13 VAL 49 -9.513 -6.012 -1.508
350 HG21 VAL 49 HG21 VAL 49 -11.162 -5.502 -3.353
351 HG22 VAL 49 HG22 VAL 49 -12.187 -4.070 -3.261
352 HG23 VAL 49 HG23 VAL 49 -12.521 -5.458 -2.227
353 H GLU 50 H GLU 50 -12.275 -2.298 1.573
354 HA GLU 50 HA GLU 50 -9.931 -0.715 2.092
355 HB2 GLU 50 HB2 GLU 50 -11.057 -0.004 4.115
356 HB3 GLU 50 HB3 GLU 50 -12.202 0.011 2.781
357 HG2 GLU 50 HG2 GLU 50 -13.220 -2.072 3.568
358 HG3 GLU 50 HG3 GLU 50 -12.027 -2.197 4.858
359 H GLU 51 H GLU 51 -10.906 -3.935 2.789
360 HA GLU 51 HA GLU 51 -9.424 -4.567 5.051
361 HB2 GLU 51 HB2 GLU 51 -10.014 -6.315 2.629
362 HB3 GLU 51 HB3 GLU 51 -9.422 -6.911 4.175
363 HG2 GLU 51 HG2 GLU 51 -12.090 -5.583 3.663
364 HG3 GLU 51 HG3 GLU 51 -11.813 -7.287 3.999
365 H SER 52 H SER 52 -8.311 -4.229 1.703
366 HA SER 52 HA SER 52 -5.562 -5.039 2.432
367 HB2 SER 52 HB2 SER 52 -6.765 -4.461 -0.301
368 HB3 SER 52 HB3 SER 52 -5.181 -5.176 0.015
369 HG SER 52 HG SER 52 -6.586 -6.789 1.251
370 H MET 53 H MET 53 -7.049 -2.364 2.992
371 HA MET 53 HA MET 53 -5.590 -0.390 1.437
372 HB2 MET 53 HB2 MET 53 -8.009 -0.115 2.302
373 HB3 MET 53 HB3 MET 53 -7.320 0.132 3.900
374 HG2 MET 53 HG2 MET 53 -7.732 2.294 3.000
375 HG3 MET 53 HG3 MET 53 -5.986 2.049 2.875
376 HE1 MET 53 HE1 MET 53 -8.938 1.724 -0.673
377 HE2 MET 53 HE2 MET 53 -9.407 2.161 0.970
378 HE3 MET 53 HE3 MET 53 -8.887 0.514 0.609
379 H LEU 54 H LEU 54 -3.529 -0.007 1.953
380 HA LEU 54 HA LEU 54 -2.468 -0.431 4.669
381 HB2 LEU 54 HB2 LEU 54 -0.989 0.249 2.085
382 HB3 LEU 54 HB3 LEU 54 -0.253 -0.215 3.612
383 HG LEU 54 HG LEU 54 -1.918 -2.008 1.811
384 HD11 LEU 54 HD11 LEU 54 1.052 -2.024 2.454
385 HD12 LEU 54 HD12 LEU 54 0.313 -1.555 0.920
386 HD13 LEU 54 HD13 LEU 54 0.201 -3.221 1.473
387 HD21 LEU 54 HD21 LEU 54 -0.608 -2.636 4.478
388 HD22 LEU 54 HD22 LEU 54 -1.320 -3.828 3.387
389 HD23 LEU 54 HD23 LEU 54 -2.341 -2.604 4.135
390 H LEU 55 H LEU 55 -2.016 1.269 5.954
391 HA LEU 55 HA LEU 55 -2.252 4.016 4.901
392 HB2 LEU 55 HB2 LEU 55 -3.670 3.240 6.878
393 HB3 LEU 55 HB3 LEU 55 -2.201 3.085 7.818
394 HG LEU 55 HG LEU 55 -3.651 5.216 8.173
395 HD11 LEU 55 HD11 LEU 55 -1.392 5.104 9.109
396 HD12 LEU 55 HD12 LEU 55 -1.760 6.730 8.533
397 HD13 LEU 55 HD13 LEU 55 -0.711 5.671 7.584
398 HD21 LEU 55 HD21 LEU 55 -4.063 5.676 5.785
399 HD22 LEU 55 HD22 LEU 55 -2.354 6.057 5.560
400 HD23 LEU 55 HD23 LEU 55 -3.353 7.066 6.609
401 H CYS 56 H CYS 56 -0.361 4.971 4.399
402 HA CYS 56 HA CYS 56 2.197 4.041 5.248
403 HB2 CYS 56 HB2 CYS 56 1.921 5.195 3.101
404 HB3 CYS 56 HB3 CYS 56 1.370 6.657 3.923
405 H ASP 57 H ASP 57 2.685 4.164 7.310
406 HA ASP 57 HA ASP 57 1.734 5.875 9.319
407 HB2 ASP 57 HB2 ASP 57 2.708 3.711 9.852
408 HB3 ASP 57 HB3 ASP 57 4.244 4.156 9.129
409 H GLY 58 H GLY 58 4.456 6.164 7.126
410 HA2 GLY 58 HA2 GLY 58 5.379 8.711 8.275
411 HA3 GLY 58 HA3 GLY 58 6.164 7.778 7.007
412 H CYS 59 H CYS 59 2.728 8.505 6.917
413 HA CYS 59 HA CYS 59 3.013 10.949 5.346
414 HB2 CYS 59 HB2 CYS 59 1.692 8.492 4.112
415 HB3 CYS 59 HB3 CYS 59 1.563 10.106 3.446
416 H ASP 60 H ASP 60 0.270 8.652 5.511
417 HA ASP 60 HA ASP 60 -1.817 9.481 6.742
418 HB2 ASP 60 HB2 ASP 60 -1.224 11.898 6.671
419 HB3 ASP 60 HB3 ASP 60 -1.236 11.878 4.916
420 H ASP 61 H ASP 61 -0.424 9.277 3.546
421 HA ASP 61 HA ASP 61 -2.834 8.938 2.033
422 HB2 ASP 61 HB2 ASP 61 -0.284 9.581 1.287
423 HB3 ASP 61 HB3 ASP 61 -0.222 7.860 0.967
424 H SER 62 H SER 62 -3.363 6.946 0.832
425 HA SER 62 HA SER 62 -2.703 4.447 2.262
426 HB2 SER 62 HB2 SER 62 -5.491 5.370 1.438
427 HB3 SER 62 HB3 SER 62 -5.097 3.795 2.135
428 HG SER 62 HG SER 62 -4.342 6.144 3.484
429 H TYR 63 H TYR 63 -2.622 2.621 1.013
430 HA TYR 63 HA TYR 63 -3.048 2.718 -1.906
431 HB2 TYR 63 HB2 TYR 63 -0.391 1.944 -0.582
432 HB3 TYR 63 HB3 TYR 63 -0.752 1.786 -2.297
433 HD1 TYR 63 HD1 TYR 63 0.014 4.206 0.419
434 HD2 TYR 63 HD2 TYR 63 -0.661 3.719 -3.780
435 HE1 TYR 63 HE1 TYR 63 0.877 6.485 0.033
436 HE2 TYR 63 HE2 TYR 63 0.213 5.995 -4.164
437 HH TYR 63 HH TYR 63 1.934 7.723 -1.810
438 H HIS 64 H HIS 64 -3.735 0.666 -2.659
439 HA HIS 64 HA HIS 64 -4.134 -1.502 -0.800
440 HB2 HIS 64 HB2 HIS 64 -4.397 -1.400 -3.832
441 HB3 HIS 64 HB3 HIS 64 -4.718 -2.860 -2.904
442 HD2 HIS 64 HD2 HIS 64 -6.475 -1.132 -0.547
443 HE1 HIS 64 HE1 HIS 64 -9.070 -0.711 -3.867
444 HE2 HIS 64 HE2 HIS 64 -8.927 -0.879 -1.344
445 H THR 65 H THR 65 -3.025 -3.412 -0.602
446 HA THR 65 HA THR 65 -0.318 -3.746 -0.975
447 HB THR 65 HB THR 65 -0.884 -6.283 -0.911
448 HG1 THR 65 HG1 THR 65 -3.152 -6.651 -0.339
449 HG21 THR 65 HG21 THR 65 -0.383 -5.073 1.167
450 HG22 THR 65 HG22 THR 65 -1.682 -6.236 1.434
451 HG23 THR 65 HG23 THR 65 -2.056 -4.519 1.271
452 H PHE 66 H PHE 66 -2.907 -4.958 -3.067
453 HA PHE 66 HA PHE 66 -1.127 -6.191 -4.957
454 HB2 PHE 66 HB2 PHE 66 -3.263 -6.872 -6.110
455 HB3 PHE 66 HB3 PHE 66 -3.143 -7.370 -4.433
456 HD1 PHE 66 HD1 PHE 66 -4.585 -6.281 -2.677
457 HD2 PHE 66 HD2 PHE 66 -5.007 -5.300 -6.822
458 HE1 PHE 66 HE1 PHE 66 -6.781 -5.255 -2.225
459 HE2 PHE 66 HE2 PHE 66 -7.195 -4.282 -6.348
460 HZ PHE 66 HZ PHE 66 -8.081 -4.252 -4.054
461 H CYS 67 H CYS 67 -2.306 -3.016 -4.744
462 HA CYS 67 HA CYS 67 -2.468 -2.543 -7.632
463 HB2 CYS 67 HB2 CYS 67 -2.921 -0.672 -5.273
464 HB3 CYS 67 HB3 CYS 67 -3.243 -0.308 -6.978
465 H LEU 68 H LEU 68 -0.235 -2.141 -5.007
466 HA LEU 68 HA LEU 68 1.553 -0.254 -6.251
467 HB2 LEU 68 HB2 LEU 68 1.896 -2.264 -3.981
468 HB3 LEU 68 HB3 LEU 68 3.152 -1.132 -4.460
469 HG LEU 68 HG LEU 68 0.409 -0.153 -3.573
470 HD11 LEU 68 HD11 LEU 68 1.303 0.141 -1.319
471 HD12 LEU 68 HD12 LEU 68 2.820 -0.629 -1.793
472 HD13 LEU 68 HD13 LEU 68 1.322 -1.561 -1.780
473 HD21 LEU 68 HD21 LEU 68 1.801 1.471 -4.786
474 HD22 LEU 68 HD22 LEU 68 3.128 1.212 -3.651
475 HD23 LEU 68 HD23 LEU 68 1.618 1.938 -3.094
476 H LEU 69 H LEU 69 3.758 -0.842 -7.005
477 HA LEU 69 HA LEU 69 4.056 -3.603 -8.040
478 HB2 LEU 69 HB2 LEU 69 5.066 -1.035 -9.331
479 HB3 LEU 69 HB3 LEU 69 5.414 -2.655 -9.911
480 HG LEU 69 HG LEU 69 2.676 -1.329 -9.867
481 HD11 LEU 69 HD11 LEU 69 4.145 -0.399 -11.596
482 HD12 LEU 69 HD12 LEU 69 2.840 -1.336 -12.314
483 HD13 LEU 69 HD13 LEU 69 4.465 -2.019 -12.222
484 HD21 LEU 69 HD21 LEU 69 2.456 -3.742 -9.469
485 HD22 LEU 69 HD22 LEU 69 3.431 -4.084 -10.900
486 HD23 LEU 69 HD23 LEU 69 1.852 -3.312 -11.070
487 HA PRO 70 HA PRO 70 5.270 -5.274 -8.027
488 HB2 PRO 70 HB2 PRO 70 6.673 -6.811 -5.909
489 HB3 PRO 70 HB3 PRO 70 6.849 -6.927 -7.670
490 HG2 PRO 70 HG2 PRO 70 8.811 -5.922 -6.114
491 HG3 PRO 70 HG3 PRO 70 8.517 -5.335 -7.767
492 HD2 PRO 70 HD2 PRO 70 7.628 -4.093 -5.151
493 HD3 PRO 70 HD3 PRO 70 8.387 -3.315 -6.563
494 HA PRO 71 HA PRO 71 1.779 -5.220 -5.216
495 HB2 PRO 71 HB2 PRO 71 0.603 -7.662 -5.953
496 HB3 PRO 71 HB3 PRO 71 0.413 -6.145 -6.845
497 HG2 PRO 71 HG2 PRO 71 2.299 -8.407 -7.390
498 HG3 PRO 71 HG3 PRO 71 1.316 -7.463 -8.534
499 HD2 PRO 71 HD2 PRO 71 3.921 -6.944 -8.261
500 HD3 PRO 71 HD3 PRO 71 2.759 -5.614 -8.459
501 H LEU 72 H LEU 72 1.432 -5.853 -3.130
502 HA LEU 72 HA LEU 72 3.334 -7.710 -1.915
503 HB2 LEU 72 HB2 LEU 72 1.257 -5.896 -0.593
504 HB3 LEU 72 HB3 LEU 72 2.594 -6.706 0.206
505 HG LEU 72 HG LEU 72 2.794 -4.404 -1.773
506 HD11 LEU 72 HD11 LEU 72 2.064 -3.687 0.443
507 HD12 LEU 72 HD12 LEU 72 3.698 -3.119 0.119
508 HD13 LEU 72 HD13 LEU 72 3.443 -4.499 1.191
509 HD21 LEU 72 HD21 LEU 72 5.230 -4.428 -1.374
510 HD22 LEU 72 HD22 LEU 72 4.673 -5.907 -2.154
511 HD23 LEU 72 HD23 LEU 72 5.058 -5.912 -0.431
512 H THR 73 H THR 73 2.711 -9.771 -1.624
513 HA THR 73 HA THR 73 0.071 -10.690 -2.218
514 HB THR 73 HB THR 73 2.350 -12.312 -0.989
515 HG1 THR 73 HG1 THR 73 3.245 -11.359 -2.781
516 HG21 THR 73 HG21 THR 73 1.395 -14.209 -2.261
517 HG22 THR 73 HG22 THR 73 0.108 -13.171 -2.874
518 HG23 THR 73 HG23 THR 73 0.191 -13.545 -1.152
519 H SER 74 H SER 74 1.501 -9.525 0.639
520 HA SER 74 HA SER 74 -0.565 -10.644 2.398
521 HB2 SER 74 HB2 SER 74 1.215 -11.113 4.134
522 HB3 SER 74 HB3 SER 74 1.347 -12.137 2.702
523 HG SER 74 HG SER 74 2.949 -9.930 3.462
524 H ILE 75 H ILE 75 -1.055 -9.365 4.150
525 HA ILE 75 HA ILE 75 -0.427 -6.511 3.932
526 HB ILE 75 HB ILE 75 -2.494 -7.974 5.648
527 HG12 ILE 75 HG12 ILE 75 -2.923 -6.424 3.052
528 HG13 ILE 75 HG13 ILE 75 -2.877 -8.178 3.162
529 HG21 ILE 75 HG21 ILE 75 -1.880 -5.783 6.631
530 HG22 ILE 75 HG22 ILE 75 -3.538 -5.760 6.028
531 HG23 ILE 75 HG23 ILE 75 -2.251 -4.992 5.099
532 HD11 ILE 75 HD11 ILE 75 -4.914 -6.367 4.435
533 HD12 ILE 75 HD12 ILE 75 -4.856 -8.123 4.605
534 HD13 ILE 75 HD13 ILE 75 -5.138 -7.399 3.022
535 HA PRO 76 HA PRO 76 2.524 -6.935 7.414
536 HB2 PRO 76 HB2 PRO 76 2.990 -4.254 7.878
537 HB3 PRO 76 HB3 PRO 76 3.674 -5.129 6.494
538 HG2 PRO 76 HG2 PRO 76 1.221 -3.394 6.577
539 HG3 PRO 76 HG3 PRO 76 2.554 -3.396 5.397
540 HD2 PRO 76 HD2 PRO 76 0.217 -4.632 4.872
541 HD3 PRO 76 HD3 PRO 76 1.762 -5.306 4.303
542 H LYS 77 H LYS 77 -0.637 -5.811 7.624
543 HA LYS 77 HA LYS 77 -2.165 -5.325 9.186
544 HB2 LYS 77 HB2 LYS 77 -0.408 -7.230 10.771
545 HB3 LYS 77 HB3 LYS 77 -2.052 -6.796 11.225
546 HG2 LYS 77 HG2 LYS 77 -2.904 -7.811 9.130
547 HG3 LYS 77 HG3 LYS 77 -1.253 -8.250 8.675
548 HD2 LYS 77 HD2 LYS 77 -1.078 -9.726 10.646
549 HD3 LYS 77 HD3 LYS 77 -2.696 -9.251 11.171
550 HE2 LYS 77 HE2 LYS 77 -3.642 -10.239 9.102
551 HE3 LYS 77 HE3 LYS 77 -2.027 -10.736 8.604
552 HZ1 LYS 77 HZ1 LYS 77 -1.890 -12.177 10.511
553 HZ2 LYS 77 HZ2 LYS 77 -3.288 -12.533 9.629
554 HZ3 LYS 77 HZ3 LYS 77 -3.403 -11.655 11.070
555 H GLY 78 H GLY 78 0.458 -3.590 9.397
556 HA2 GLY 78 HA2 GLY 78 -0.480 -1.938 11.561
557 HA3 GLY 78 HA3 GLY 78 0.992 -2.814 11.994
558 H GLU 79 H GLU 79 2.735 -1.525 11.757
559 HA GLU 79 HA GLU 79 2.748 0.900 10.321
560 HB2 GLU 79 HB2 GLU 79 5.242 0.905 10.843
561 HB3 GLU 79 HB3 GLU 79 4.178 0.776 12.238
562 HG2 GLU 79 HG2 GLU 79 4.665 -1.587 12.478
563 HG3 GLU 79 HG3 GLU 79 5.546 -1.614 10.953
564 H TRP 80 H TRP 80 2.373 0.727 8.127
565 HA TRP 80 HA TRP 80 4.495 -0.580 6.514
566 HB2 TRP 80 HB2 TRP 80 2.250 -1.384 5.926
567 HB3 TRP 80 HB3 TRP 80 1.643 0.262 5.782
568 HD1 TRP 80 HD1 TRP 80 4.131 -2.135 3.957
569 HE1 TRP 80 HE1 TRP 80 4.283 -1.366 1.503
570 HE3 TRP 80 HE3 TRP 80 1.269 2.068 4.268
571 HZ2 TRP 80 HZ2 TRP 80 3.297 0.746 -0.094
572 HZ3 TRP 80 HZ3 TRP 80 0.909 3.424 2.227
573 HH2 TRP 80 HH2 TRP 80 1.912 2.768 0.093
574 H LEU 81 H LEU 81 5.640 0.715 5.106
575 HA LEU 81 HA LEU 81 5.178 3.644 5.183
576 HB2 LEU 81 HB2 LEU 81 7.824 2.138 4.916
577 HB3 LEU 81 HB3 LEU 81 7.640 3.879 4.820
578 HG LEU 81 HG LEU 81 7.189 2.163 7.286
579 HD11 LEU 81 HD11 LEU 81 9.560 2.523 6.767
580 HD12 LEU 81 HD12 LEU 81 9.101 3.392 8.227
581 HD13 LEU 81 HD13 LEU 81 9.302 4.268 6.708
582 HD21 LEU 81 HD21 LEU 81 6.761 4.275 8.498
583 HD22 LEU 81 HD22 LEU 81 5.535 3.959 7.274
584 HD23 LEU 81 HD23 LEU 81 6.795 5.157 6.968
585 H CYS 82 H CYS 82 4.934 4.594 3.256
586 HA CYS 82 HA CYS 82 4.694 3.177 0.817
587 HB2 CYS 82 HB2 CYS 82 4.361 5.438 -0.171
588 HB3 CYS 82 HB3 CYS 82 3.409 5.229 1.297
589 HA PRO 83 HA PRO 83 8.871 3.232 -1.007
590 HB2 PRO 83 HB2 PRO 83 7.523 4.641 -3.331
591 HB3 PRO 83 HB3 PRO 83 8.660 3.273 -3.351
592 HG2 PRO 83 HG2 PRO 83 6.085 2.807 -3.709
593 HG3 PRO 83 HG3 PRO 83 7.037 1.725 -2.664
594 HD2 PRO 83 HD2 PRO 83 5.075 3.868 -1.871
595 HD3 PRO 83 HD3 PRO 83 5.381 2.280 -1.123
596 H ARG 84 H ARG 84 6.900 6.191 -1.137
597 HA ARG 84 HA ARG 84 8.914 8.120 -1.559
598 HB2 ARG 84 HB2 ARG 84 6.469 8.560 -1.784
599 HB3 ARG 84 HB3 ARG 84 6.281 8.417 -0.042
600 HG2 ARG 84 HG2 ARG 84 7.683 10.417 0.287
601 HG3 ARG 84 HG3 ARG 84 7.924 10.555 -1.457
602 HD2 ARG 84 HD2 ARG 84 5.287 10.808 0.023
603 HD3 ARG 84 HD3 ARG 84 6.208 12.126 -0.700
604 HE ARG 84 HE ARG 84 4.587 10.118 -2.092
605 HH11 ARG 84 HH11 ARG 84 6.780 12.872 -2.396
606 HH12 ARG 84 HH12 ARG 84 6.341 13.179 -4.047
607 HH21 ARG 84 HH21 ARG 84 4.041 10.528 -4.241
608 HH22 ARG 84 HH22 ARG 84 4.785 11.844 -5.097
609 H CYS 85 H CYS 85 7.702 6.624 1.442
610 HA CYS 85 HA CYS 85 9.103 8.241 3.294
611 HB2 CYS 85 HB2 CYS 85 8.197 5.357 3.598
612 HB3 CYS 85 HB3 CYS 85 8.709 6.418 4.929
613 H VAL 86 H VAL 86 10.035 5.432 1.471
614 HA VAL 86 HA VAL 86 12.541 4.965 2.794
615 HB VAL 86 HB VAL 86 11.650 3.983 0.042
616 HG11 VAL 86 HG11 VAL 86 13.744 2.848 1.933
617 HG12 VAL 86 HG12 VAL 86 14.065 3.698 0.420
618 HG13 VAL 86 HG13 VAL 86 13.248 2.135 0.397
619 HG21 VAL 86 HG21 VAL 86 10.851 1.924 1.167
620 HG22 VAL 86 HG22 VAL 86 9.959 3.352 1.702
621 HG23 VAL 86 HG23 VAL 86 11.203 2.650 2.738
622 H VAL 87 H VAL 87 11.496 6.704 -0.138
623 HA VAL 87 HA VAL 87 14.031 7.402 -1.184
624 HB VAL 87 HB VAL 87 11.362 8.867 -1.490
625 HG11 VAL 87 HG11 VAL 87 13.915 9.271 -3.113
626 HG12 VAL 87 HG12 VAL 87 13.198 10.436 -1.998
627 HG13 VAL 87 HG13 VAL 87 12.345 9.995 -3.477
628 HG21 VAL 87 HG21 VAL 87 12.755 6.915 -3.364
629 HG22 VAL 87 HG22 VAL 87 11.226 7.739 -3.684
630 HG23 VAL 87 HG23 VAL 87 11.339 6.563 -2.375
631 H GLU 88 H GLU 88 11.816 9.269 0.912
632 HA GLU 88 HA GLU 88 13.601 11.470 1.319
633 HB2 GLU 88 HB2 GLU 88 12.005 12.265 2.948
634 HB3 GLU 88 HB3 GLU 88 11.096 11.583 1.607
635 HG2 GLU 88 HG2 GLU 88 10.789 9.488 2.949
636 HG3 GLU 88 HG3 GLU 88 11.609 10.274 4.292
637 H GLU 89 H GLU 89 13.475 8.329 2.583
638 HA GLU 89 HA GLU 89 14.812 7.120 3.914
639 HB2 GLU 89 HB2 GLU 89 16.721 8.631 3.386
640 HB3 GLU 89 HB3 GLU 89 16.225 9.711 4.682
641 HG2 GLU 89 HG2 GLU 89 18.108 8.397 5.437
642 HG3 GLU 89 HG3 GLU 89 16.671 7.883 6.321
643 H VAL 90 H VAL 90 14.595 6.301 5.986
644 HA VAL 90 HA VAL 90 12.666 7.550 7.760
645 HB VAL 90 HB VAL 90 14.335 5.028 8.239
646 HG11 VAL 90 HG11 VAL 90 12.594 4.461 9.907
647 HG12 VAL 90 HG12 VAL 90 11.778 5.990 9.587
648 HG13 VAL 90 HG13 VAL 90 13.388 5.985 10.311
649 HG21 VAL 90 HG21 VAL 90 12.997 4.804 6.177
650 HG22 VAL 90 HG22 VAL 90 11.538 5.259 7.058
651 HG23 VAL 90 HG23 VAL 90 12.370 3.752 7.449
652 H SER 91 H SER 91 13.211 8.975 9.316
653 HA SER 91 HA SER 91 15.822 9.977 9.590
654 HB2 SER 91 HB2 SER 91 13.744 11.315 9.991
655 HB3 SER 91 HB3 SER 91 13.474 10.421 11.483
656 HG SER 91 HG SER 91 14.589 12.065 12.237
657 H LYS 92 H LYS 92 17.491 9.090 10.630
658 HA LYS 92 HA LYS 92 17.236 7.976 13.329
659 HB2 LYS 92 HB2 LYS 92 18.531 5.934 12.760
660 HB3 LYS 92 HB3 LYS 92 17.002 5.976 11.891
661 HG2 LYS 92 HG2 LYS 92 18.114 6.619 9.834
662 HG3 LYS 92 HG3 LYS 92 19.661 6.795 10.660
663 HD2 LYS 92 HD2 LYS 92 18.191 4.134 10.561
664 HD3 LYS 92 HD3 LYS 92 19.268 4.644 9.265
665 HE2 LYS 92 HE2 LYS 92 20.501 3.191 10.743
666 HE3 LYS 92 HE3 LYS 92 21.124 4.826 10.951
667 HZ1 LYS 92 HZ1 LYS 92 19.153 3.534 12.769
668 HZ2 LYS 92 HZ2 LYS 92 19.931 5.021 13.005
669 HZ3 LYS 92 HZ3 LYS 92 20.822 3.587 13.044
670 HA PRO 93 HA PRO 93 21.328 9.930 13.703
671 HB2 PRO 93 HB2 PRO 93 22.467 8.330 15.662
672 HB3 PRO 93 HB3 PRO 93 21.287 9.609 16.007
673 HG2 PRO 93 HG2 PRO 93 20.818 6.660 15.736
674 HG3 PRO 93 HG3 PRO 93 20.181 7.794 16.951
675 HD2 PRO 93 HD2 PRO 93 18.675 6.999 14.854
676 HD3 PRO 93 HD3 PRO 93 18.562 8.655 15.497
677 H GLN 94 H GLN 94 23.466 9.547 13.081
678 HA GLN 94 HA GLN 94 23.953 7.324 11.293
679 HB2 GLN 94 HB2 GLN 94 25.780 9.626 12.136
680 HB3 GLN 94 HB3 GLN 94 26.143 8.468 10.865
681 HG2 GLN 94 HG2 GLN 94 24.278 9.283 9.517
682 HG3 GLN 94 HG3 GLN 94 23.791 10.383 10.807
683 HE21 GLN 94 HE21 GLN 94 24.556 10.992 8.030
684 HE22 GLN 94 HE22 GLN 94 25.876 12.104 8.142
Start of MODEL 16
1 H1 SER 1 H1 SER 1 -86.203 29.166 -51.857
2 H2 SER 1 H2 SER 1 -86.001 30.820 -51.576
3 H3 SER 1 H3 SER 1 -85.572 29.704 -50.386
4 HA SER 1 HA SER 1 -84.289 29.937 -53.039
5 HB2 SER 1 HB2 SER 1 -83.258 30.794 -50.299
6 HB3 SER 1 HB3 SER 1 -82.400 30.965 -51.833
7 HG SER 1 HG SER 1 -84.375 32.249 -52.448
8 H HIS 2 H HIS 2 -82.017 28.836 -52.820
9 HA HIS 2 HA HIS 2 -82.358 26.103 -51.957
10 HB2 HIS 2 HB2 HIS 2 -79.968 27.552 -53.182
11 HB3 HIS 2 HB3 HIS 2 -79.961 25.840 -52.782
12 HD2 HIS 2 HD2 HIS 2 -81.315 28.242 -55.511
13 HE1 HIS 2 HE1 HIS 2 -82.330 24.277 -56.568
14 HE2 HIS 2 HE2 HIS 2 -82.505 26.710 -57.222
15 H MET 3 H MET 3 -82.664 26.342 -49.712
16 HA MET 3 HA MET 3 -80.365 27.092 -48.031
17 HB2 MET 3 HB2 MET 3 -82.799 27.803 -47.533
18 HB3 MET 3 HB3 MET 3 -83.116 26.125 -47.121
19 HG2 MET 3 HG2 MET 3 -81.466 26.260 -45.297
20 HG3 MET 3 HG3 MET 3 -81.109 27.926 -45.740
21 HE1 MET 3 HE1 MET 3 -84.598 25.996 -45.479
22 HE2 MET 3 HE2 MET 3 -85.115 26.533 -43.882
23 HE3 MET 3 HE3 MET 3 -83.710 25.481 -44.040
24 H SER 4 H SER 4 -80.891 24.551 -49.849
25 HA SER 4 HA SER 4 -80.838 22.273 -48.130
26 HB2 SER 4 HB2 SER 4 -79.972 22.457 -51.047
27 HB3 SER 4 HB3 SER 4 -80.472 21.003 -50.179
28 HG SER 4 HG SER 4 -82.502 22.475 -49.859
29 H GLY 5 H GLY 5 -79.166 22.660 -46.654
30 HA2 GLY 5 HA2 GLY 5 -76.640 21.602 -46.991
31 HA3 GLY 5 HA3 GLY 5 -76.463 23.323 -47.354
32 H GLY 6 H GLY 6 -75.196 23.767 -45.528
33 HA2 GLY 6 HA2 GLY 6 -74.735 24.368 -43.368
34 HA3 GLY 6 HA3 GLY 6 -76.471 24.449 -43.105
35 H SER 7 H SER 7 -74.733 21.552 -44.084
36 HA SER 7 HA SER 7 -75.552 20.181 -41.600
37 HB2 SER 7 HB2 SER 7 -75.252 18.087 -43.028
38 HB3 SER 7 HB3 SER 7 -76.544 19.167 -43.550
39 HG SER 7 HG SER 7 -73.924 19.231 -44.653
40 HA PRO 8 HA PRO 8 -71.024 20.735 -41.057
41 HB2 PRO 8 HB2 PRO 8 -71.527 20.301 -38.164
42 HB3 PRO 8 HB3 PRO 8 -70.925 21.754 -38.987
43 HG2 PRO 8 HG2 PRO 8 -73.372 21.692 -37.876
44 HG3 PRO 8 HG3 PRO 8 -73.046 22.593 -39.377
45 HD2 PRO 8 HD2 PRO 8 -74.267 19.834 -39.086
46 HD3 PRO 8 HD3 PRO 8 -74.833 21.211 -40.063
47 H LEU 9 H LEU 9 -70.661 18.699 -42.130
48 HA LEU 9 HA LEU 9 -70.319 16.337 -40.392
49 HB2 LEU 9 HB2 LEU 9 -69.854 15.104 -42.517
50 HB3 LEU 9 HB3 LEU 9 -71.437 15.840 -42.453
51 HG LEU 9 HG LEU 9 -70.136 17.783 -43.865
52 HD11 LEU 9 HD11 LEU 9 -68.626 16.822 -45.530
53 HD12 LEU 9 HD12 LEU 9 -68.693 15.253 -44.721
54 HD13 LEU 9 HD13 LEU 9 -67.969 16.642 -43.907
55 HD21 LEU 9 HD21 LEU 9 -71.096 16.841 -45.909
56 HD22 LEU 9 HD22 LEU 9 -72.216 16.696 -44.555
57 HD23 LEU 9 HD23 LEU 9 -71.316 15.280 -45.109
58 H ALA 10 H ALA 10 -68.408 15.843 -39.546
59 HA ALA 10 HA ALA 10 -65.884 16.147 -40.829
60 HB1 ALA 10 HB1 ALA 10 -66.149 18.527 -40.179
61 HB2 ALA 10 HB2 ALA 10 -64.828 17.777 -39.282
62 HB3 ALA 10 HB3 ALA 10 -66.388 18.052 -38.497
63 H THR 11 H THR 11 -64.117 15.366 -39.457
64 HA THR 11 HA THR 11 -64.585 14.143 -36.913
65 HB THR 11 HB THR 11 -65.761 12.478 -38.362
66 HG1 THR 11 HG1 THR 11 -64.751 11.660 -36.539
67 HG21 THR 11 HG21 THR 11 -63.059 11.998 -39.682
68 HG22 THR 11 HG22 THR 11 -64.427 12.800 -40.457
69 HG23 THR 11 HG23 THR 11 -64.549 11.103 -39.990
70 H GLY 12 H GLY 12 -62.589 12.835 -36.255
71 HA2 GLY 12 HA2 GLY 12 -60.284 12.318 -36.445
72 HA3 GLY 12 HA3 GLY 12 -60.101 13.548 -37.689
73 H THR 13 H THR 13 -58.870 12.947 -34.917
74 HA THR 13 HA THR 13 -58.821 15.742 -33.958
75 HB THR 13 HB THR 13 -60.323 14.564 -32.415
76 HG1 THR 13 HG1 THR 13 -59.401 15.535 -30.778
77 HG21 THR 13 HG21 THR 13 -59.559 12.655 -31.037
78 HG22 THR 13 HG22 THR 13 -58.051 12.589 -31.953
79 HG23 THR 13 HG23 THR 13 -59.586 12.243 -32.754
80 H THR 14 H THR 14 -56.931 16.253 -32.721
81 HA THR 14 HA THR 14 -54.564 14.516 -33.048
82 HB THR 14 HB THR 14 -54.626 17.515 -33.719
83 HG1 THR 14 HG1 THR 14 -55.677 16.104 -35.279
84 HG21 THR 14 HG21 THR 14 -52.383 15.494 -34.106
85 HG22 THR 14 HG22 THR 14 -52.406 16.775 -32.892
86 HG23 THR 14 HG23 THR 14 -52.347 17.189 -34.608
87 H ALA 15 H ALA 15 -55.116 14.089 -30.775
88 HA ALA 15 HA ALA 15 -53.969 16.019 -28.900
89 HB1 ALA 15 HB1 ALA 15 -56.861 15.132 -28.600
90 HB2 ALA 15 HB2 ALA 15 -56.318 16.751 -29.043
91 HB3 ALA 15 HB3 ALA 15 -55.945 16.104 -27.446
92 H ASN 16 H ASN 16 -52.421 14.353 -28.755
93 HA ASN 16 HA ASN 16 -52.912 12.592 -26.516
94 HB2 ASN 16 HB2 ASN 16 -52.079 10.521 -27.609
95 HB3 ASN 16 HB3 ASN 16 -53.570 11.082 -28.353
96 HD21 ASN 16 HD21 ASN 16 -53.501 11.916 -30.469
97 HD22 ASN 16 HD22 ASN 16 -52.155 11.640 -31.515
98 H THR 17 H THR 17 -51.156 14.898 -27.703
99 HA THR 17 HA THR 17 -48.432 13.952 -27.457
100 HB THR 17 HB THR 17 -49.534 16.803 -27.637
101 HG1 THR 17 HG1 THR 17 -48.462 15.079 -29.643
102 HG21 THR 17 HG21 THR 17 -47.209 16.753 -26.739
103 HG22 THR 17 HG22 THR 17 -47.263 17.448 -28.362
104 HG23 THR 17 HG23 THR 17 -46.705 15.791 -28.129
105 H ARG 18 H ARG 18 -47.449 13.642 -25.549
106 HA ARG 18 HA ARG 18 -47.696 15.344 -23.248
107 HB2 ARG 18 HB2 ARG 18 -48.505 13.330 -21.745
108 HB3 ARG 18 HB3 ARG 18 -49.691 14.266 -22.641
109 HG2 ARG 18 HG2 ARG 18 -50.309 11.952 -22.833
110 HG3 ARG 18 HG3 ARG 18 -49.727 12.482 -24.407
111 HD2 ARG 18 HD2 ARG 18 -47.487 11.418 -23.796
112 HD3 ARG 18 HD3 ARG 18 -48.301 10.712 -22.397
113 HE ARG 18 HE ARG 18 -49.707 10.131 -24.796
114 HH11 ARG 18 HH11 ARG 18 -46.830 9.150 -23.004
115 HH12 ARG 18 HH12 ARG 18 -46.805 7.556 -23.692
116 HH21 ARG 18 HH21 ARG 18 -49.627 8.050 -25.699
117 HH22 ARG 18 HH22 ARG 18 -48.380 6.939 -25.212
118 H GLY 19 H GLY 19 -46.163 14.771 -21.573
119 HA2 GLY 19 HA2 GLY 19 -44.396 13.529 -20.626
120 HA3 GLY 19 HA3 GLY 19 -44.259 12.585 -22.098
121 H ALA 20 H ALA 20 -42.702 14.844 -20.271
122 HA ALA 20 HA ALA 20 -40.697 15.349 -22.269
123 HB1 ALA 20 HB1 ALA 20 -42.258 17.191 -22.815
124 HB2 ALA 20 HB2 ALA 20 -40.740 17.817 -22.166
125 HB3 ALA 20 HB3 ALA 20 -42.183 17.758 -21.146
126 H SER 21 H SER 21 -39.099 14.531 -20.971
127 HA SER 21 HA SER 21 -38.301 15.964 -18.575
128 HB2 SER 21 HB2 SER 21 -39.934 14.397 -17.596
129 HB3 SER 21 HB3 SER 21 -39.166 13.038 -18.408
130 HG SER 21 HG SER 21 -37.877 14.694 -16.494
131 H GLN 22 H GLN 22 -36.224 16.307 -19.084
132 HA GLN 22 HA GLN 22 -34.409 14.117 -18.850
133 HB2 GLN 22 HB2 GLN 22 -34.751 14.016 -21.323
134 HB3 GLN 22 HB3 GLN 22 -34.263 15.704 -21.460
135 HG2 GLN 22 HG2 GLN 22 -32.002 15.167 -20.706
136 HG3 GLN 22 HG3 GLN 22 -32.459 13.499 -20.383
137 HE21 GLN 22 HE21 GLN 22 -32.752 12.077 -22.147
138 HE22 GLN 22 HE22 GLN 22 -32.131 12.442 -23.718
139 H LYS 23 H LYS 23 -33.841 15.236 -16.996
140 HA LYS 23 HA LYS 23 -31.831 17.348 -17.404
141 HB2 LYS 23 HB2 LYS 23 -34.088 17.538 -15.357
142 HB3 LYS 23 HB3 LYS 23 -32.616 18.497 -15.257
143 HG2 LYS 23 HG2 LYS 23 -33.194 19.531 -17.460
144 HG3 LYS 23 HG3 LYS 23 -34.724 18.642 -17.439
145 HD2 LYS 23 HD2 LYS 23 -35.390 19.801 -15.369
146 HD3 LYS 23 HD3 LYS 23 -33.839 20.644 -15.310
147 HE2 LYS 23 HE2 LYS 23 -35.483 22.180 -16.174
148 HE3 LYS 23 HE3 LYS 23 -34.432 21.716 -17.513
149 HZ1 LYS 23 HZ1 LYS 23 -37.128 20.601 -16.954
150 HZ2 LYS 23 HZ2 LYS 23 -36.126 20.144 -18.236
151 HZ3 LYS 23 HZ3 LYS 23 -36.743 21.715 -18.164
152 H LYS 24 H LYS 24 -30.133 17.252 -15.947
153 HA LYS 24 HA LYS 24 -30.171 15.864 -13.454
154 HB2 LYS 24 HB2 LYS 24 -28.390 14.192 -13.950
155 HB3 LYS 24 HB3 LYS 24 -29.887 13.844 -14.802
156 HG2 LYS 24 HG2 LYS 24 -28.975 14.483 -16.915
157 HG3 LYS 24 HG3 LYS 24 -27.607 15.310 -16.164
158 HD2 LYS 24 HD2 LYS 24 -26.999 13.127 -17.228
159 HD3 LYS 24 HD3 LYS 24 -26.593 13.212 -15.513
160 HE2 LYS 24 HE2 LYS 24 -27.533 11.016 -16.094
161 HE3 LYS 24 HE3 LYS 24 -28.604 11.860 -14.978
162 HZ1 LYS 24 HZ1 LYS 24 -28.962 11.675 -17.921
163 HZ2 LYS 24 HZ2 LYS 24 -30.004 12.463 -16.849
164 HZ3 LYS 24 HZ3 LYS 24 -29.816 10.788 -16.761
165 H GLY 25 H GLY 25 -27.484 15.564 -12.942
166 HA2 GLY 25 HA2 GLY 25 -25.426 16.645 -12.762
167 HA3 GLY 25 HA3 GLY 25 -26.015 17.947 -13.783
168 H GLY 26 H GLY 26 -25.317 17.019 -10.625
169 HA2 GLY 26 HA2 GLY 26 -25.634 19.463 -9.396
170 HA3 GLY 26 HA3 GLY 26 -27.160 18.620 -9.140
171 H GLU 27 H GLU 27 -23.658 18.055 -8.925
172 HA GLU 27 HA GLU 27 -24.022 16.320 -6.546
173 HB2 GLU 27 HB2 GLU 27 -22.741 15.400 -8.506
174 HB3 GLU 27 HB3 GLU 27 -21.576 16.706 -8.329
175 HG2 GLU 27 HG2 GLU 27 -20.610 14.752 -7.334
176 HG3 GLU 27 HG3 GLU 27 -21.048 15.846 -6.023
177 HA PRO 28 HA PRO 28 -22.487 20.279 -4.709
178 HB2 PRO 28 HB2 PRO 28 -23.881 20.240 -2.397
179 HB3 PRO 28 HB3 PRO 28 -24.704 20.557 -3.939
180 HG2 PRO 28 HG2 PRO 28 -24.594 17.996 -2.363
181 HG3 PRO 28 HG3 PRO 28 -25.978 18.758 -3.179
182 HD2 PRO 28 HD2 PRO 28 -24.463 16.701 -4.289
183 HD3 PRO 28 HD3 PRO 28 -25.431 17.856 -5.231
184 HA PRO 29 HA PRO 29 -19.327 18.527 -1.809
185 HB2 PRO 29 HB2 PRO 29 -19.081 21.423 -1.034
186 HB3 PRO 29 HB3 PRO 29 -17.812 20.279 -1.517
187 HG2 PRO 29 HG2 PRO 29 -18.574 22.202 -3.192
188 HG3 PRO 29 HG3 PRO 29 -18.207 20.569 -3.797
189 HD2 PRO 29 HD2 PRO 29 -20.907 21.827 -3.302
190 HD3 PRO 29 HD3 PRO 29 -20.368 20.819 -4.667
191 H ALA 30 H ALA 30 -20.852 17.472 -0.525
192 HA ALA 30 HA ALA 30 -22.919 18.875 0.913
193 HB1 ALA 30 HB1 ALA 30 -22.245 15.910 0.881
194 HB2 ALA 30 HB2 ALA 30 -23.373 16.729 -0.204
195 HB3 ALA 30 HB3 ALA 30 -23.725 16.632 1.523
196 H LEU 31 H LEU 31 -21.558 20.162 2.258
197 HA LEU 31 HA LEU 31 -20.633 20.863 4.171
198 HB2 LEU 31 HB2 LEU 31 -21.802 18.309 5.333
199 HB3 LEU 31 HB3 LEU 31 -21.201 19.658 6.286
200 HG LEU 31 HG LEU 31 -23.638 19.691 4.449
201 HD11 LEU 31 HD11 LEU 31 -23.474 19.913 7.467
202 HD12 LEU 31 HD12 LEU 31 -24.038 18.513 6.553
203 HD13 LEU 31 HD13 LEU 31 -24.940 20.024 6.487
204 HD21 LEU 31 HD21 LEU 31 -22.512 21.863 4.335
205 HD22 LEU 31 HD22 LEU 31 -22.480 21.969 6.098
206 HD23 LEU 31 HD23 LEU 31 -24.020 21.998 5.235
207 H ILE 32 H ILE 32 -18.453 20.894 3.884
208 HA ILE 32 HA ILE 32 -16.837 18.510 3.827
209 HB ILE 32 HB ILE 32 -15.894 21.426 3.982
210 HG12 ILE 32 HG12 ILE 32 -15.287 20.994 1.484
211 HG13 ILE 32 HG13 ILE 32 -16.347 19.596 1.575
212 HG21 ILE 32 HG21 ILE 32 -14.316 18.903 3.318
213 HG22 ILE 32 HG22 ILE 32 -14.159 19.866 4.790
214 HG23 ILE 32 HG23 ILE 32 -13.692 20.552 3.233
215 HD11 ILE 32 HD11 ILE 32 -17.169 22.463 2.013
216 HD12 ILE 32 HD12 ILE 32 -18.239 21.059 2.025
217 HD13 ILE 32 HD13 ILE 32 -17.413 21.526 0.538
218 H VAL 33 H VAL 33 -17.469 17.602 5.769
219 HA VAL 33 HA VAL 33 -16.228 18.650 8.261
220 HB VAL 33 HB VAL 33 -17.978 17.401 9.537
221 HG11 VAL 33 HG11 VAL 33 -18.381 19.783 9.064
222 HG12 VAL 33 HG12 VAL 33 -19.902 18.889 9.084
223 HG13 VAL 33 HG13 VAL 33 -19.178 19.363 7.544
224 HG21 VAL 33 HG21 VAL 33 -19.983 16.475 8.384
225 HG22 VAL 33 HG22 VAL 33 -18.511 15.636 7.890
226 HG23 VAL 33 HG23 VAL 33 -19.242 16.833 6.817
227 H ASP 34 H ASP 34 -15.540 16.783 5.879
228 HA ASP 34 HA ASP 34 -14.374 14.562 7.436
229 HB2 ASP 34 HB2 ASP 34 -15.094 12.977 5.657
230 HB3 ASP 34 HB3 ASP 34 -16.473 13.741 6.436
231 HA PRO 35 HA PRO 35 -11.765 16.634 3.875
232 HB2 PRO 35 HB2 PRO 35 -10.091 18.374 5.136
233 HB3 PRO 35 HB3 PRO 35 -11.767 18.823 4.749
234 HG2 PRO 35 HG2 PRO 35 -10.645 17.844 7.365
235 HG3 PRO 35 HG3 PRO 35 -11.732 19.219 7.060
236 HD2 PRO 35 HD2 PRO 35 -12.659 16.794 7.908
237 HD3 PRO 35 HD3 PRO 35 -13.614 17.871 6.870
238 H LEU 36 H LEU 36 -10.906 15.052 6.846
239 HA LEU 36 HA LEU 36 -8.568 13.807 5.547
240 HB2 LEU 36 HB2 LEU 36 -7.973 15.720 7.253
241 HB3 LEU 36 HB3 LEU 36 -8.449 14.577 8.490
242 HG LEU 36 HG LEU 36 -6.210 14.063 6.476
243 HD11 LEU 36 HD11 LEU 36 -4.622 14.586 8.271
244 HD12 LEU 36 HD12 LEU 36 -5.959 15.049 9.331
245 HD13 LEU 36 HD13 LEU 36 -5.625 15.977 7.866
246 HD21 LEU 36 HD21 LEU 36 -6.890 12.587 9.046
247 HD22 LEU 36 HD22 LEU 36 -5.481 12.277 8.023
248 HD23 LEU 36 HD23 LEU 36 -7.102 11.977 7.401
249 H MET 37 H MET 37 -10.380 12.351 5.158
250 HA MET 37 HA MET 37 -10.084 9.991 6.630
251 HB2 MET 37 HB2 MET 37 -12.285 9.608 7.619
252 HB3 MET 37 HB3 MET 37 -11.650 11.105 8.281
253 HG2 MET 37 HG2 MET 37 -13.075 12.348 6.619
254 HG3 MET 37 HG3 MET 37 -13.802 10.804 6.175
255 HE1 MET 37 HE1 MET 37 -13.385 13.543 8.942
256 HE2 MET 37 HE2 MET 37 -12.675 12.144 9.752
257 HE3 MET 37 HE3 MET 37 -14.209 12.805 10.316
258 H LYS 38 H LYS 38 -12.250 8.503 5.892
259 HA LYS 38 HA LYS 38 -12.947 7.214 4.173
260 HB2 LYS 38 HB2 LYS 38 -13.361 9.918 2.842
261 HB3 LYS 38 HB3 LYS 38 -14.002 8.400 2.220
262 HG2 LYS 38 HG2 LYS 38 -15.438 8.151 4.158
263 HG3 LYS 38 HG3 LYS 38 -14.715 9.560 4.939
264 HD2 LYS 38 HD2 LYS 38 -16.954 10.025 3.918
265 HD3 LYS 38 HD3 LYS 38 -15.666 11.043 3.270
266 HE2 LYS 38 HE2 LYS 38 -17.232 10.189 1.517
267 HE3 LYS 38 HE3 LYS 38 -15.561 9.704 1.237
268 HZ1 LYS 38 HZ1 LYS 38 -17.137 7.904 0.869
269 HZ2 LYS 38 HZ2 LYS 38 -17.651 8.001 2.476
270 HZ3 LYS 38 HZ3 LYS 38 -16.064 7.533 2.123
271 H TYR 39 H TYR 39 -10.738 6.497 4.142
272 HA TYR 39 HA TYR 39 -8.639 7.898 2.972
273 HB2 TYR 39 HB2 TYR 39 -8.853 4.973 3.771
274 HB3 TYR 39 HB3 TYR 39 -7.348 5.719 3.238
275 HD1 TYR 39 HD2 TYR 39 -7.185 8.274 4.505
276 HD2 TYR 39 HD1 TYR 39 -8.801 4.656 6.135
277 HE1 TYR 39 HE2 TYR 39 -6.721 9.092 6.774
278 HE2 TYR 39 HE1 TYR 39 -8.335 5.479 8.409
279 HH TYR 39 HH TYR 39 -6.788 7.098 9.505
280 H ILE 40 H ILE 40 -8.759 8.483 0.935
281 HA ILE 40 HA ILE 40 -9.549 6.846 -1.272
282 HB ILE 40 HB ILE 40 -8.081 9.530 -1.166
283 HG12 ILE 40 HG12 ILE 40 -11.019 8.888 -1.691
284 HG13 ILE 40 HG13 ILE 40 -10.371 9.613 -0.226
285 HG21 ILE 40 HG21 ILE 40 -8.623 9.814 -3.555
286 HG22 ILE 40 HG22 ILE 40 -9.317 8.190 -3.601
287 HG23 ILE 40 HG23 ILE 40 -7.590 8.404 -3.304
288 HD11 ILE 40 HD11 ILE 40 -10.433 10.866 -2.973
289 HD12 ILE 40 HD12 ILE 40 -9.698 11.590 -1.540
290 HD13 ILE 40 HD13 ILE 40 -11.434 11.287 -1.581
291 H CYS 41 H CYS 41 -8.292 5.499 -2.471
292 HA CYS 41 HA CYS 41 -5.572 4.944 -1.783
293 HB2 CYS 41 HB2 CYS 41 -7.089 3.188 -2.638
294 HB3 CYS 41 HB3 CYS 41 -7.198 4.022 -4.187
295 H HIS 42 H HIS 42 -3.736 5.767 -2.711
296 HA HIS 42 HA HIS 42 -3.992 8.168 -4.257
297 HB2 HIS 42 HB2 HIS 42 -2.320 7.824 -2.385
298 HB3 HIS 42 HB3 HIS 42 -1.416 6.757 -3.453
299 HD1 HIS 42 HD1 HIS 42 0.580 8.033 -4.234
300 HD2 HIS 42 HD2 HIS 42 -2.810 10.431 -4.088
301 HE1 HIS 42 HE1 HIS 42 1.283 10.271 -5.124
302 HE2 HIS 42 HE2 HIS 42 -0.813 11.645 -5.168
303 H ILE 43 H ILE 43 -3.838 4.933 -5.141
304 HA ILE 43 HA ILE 43 -2.711 5.518 -7.825
305 HB ILE 43 HB ILE 43 -2.761 2.898 -6.246
306 HG12 ILE 43 HG12 ILE 43 -0.479 4.646 -7.270
307 HG13 ILE 43 HG13 ILE 43 -0.963 4.446 -5.592
308 HG21 ILE 43 HG21 ILE 43 -1.670 1.797 -8.167
309 HG22 ILE 43 HG22 ILE 43 -1.820 3.278 -9.117
310 HG23 ILE 43 HG23 ILE 43 -3.266 2.400 -8.620
311 HD11 ILE 43 HD11 ILE 43 0.288 2.350 -7.366
312 HD12 ILE 43 HD12 ILE 43 -0.261 2.088 -5.706
313 HD13 ILE 43 HD13 ILE 43 1.045 3.223 -6.034
314 H CYS 44 H CYS 44 -5.313 3.857 -6.036
315 HA CYS 44 HA CYS 44 -6.674 3.076 -8.524
316 HB2 CYS 44 HB2 CYS 44 -7.333 2.339 -5.639
317 HB3 CYS 44 HB3 CYS 44 -7.953 1.567 -7.108
318 H ASN 45 H ASN 45 -6.951 5.327 -5.898
319 HA ASN 45 HA ASN 45 -8.379 6.903 -5.228
320 HB2 ASN 45 HB2 ASN 45 -8.816 7.646 -7.502
321 HB3 ASN 45 HB3 ASN 45 -9.957 6.333 -7.764
322 HD21 ASN 45 HD21 ASN 45 -9.434 9.352 -6.034
323 HD22 ASN 45 HD22 ASN 45 -11.102 9.689 -5.725
324 H ARG 46 H ARG 46 -10.150 4.027 -6.382
325 HA ARG 46 HA ARG 46 -12.197 4.394 -4.317
326 HB2 ARG 46 HB2 ARG 46 -12.051 2.431 -6.643
327 HB3 ARG 46 HB3 ARG 46 -13.415 2.594 -5.535
328 HG2 ARG 46 HG2 ARG 46 -13.785 4.910 -6.313
329 HG3 ARG 46 HG3 ARG 46 -12.391 4.778 -7.388
330 HD2 ARG 46 HD2 ARG 46 -13.536 2.962 -8.624
331 HD3 ARG 46 HD3 ARG 46 -14.940 3.145 -7.568
332 HE ARG 46 HE ARG 46 -15.304 5.330 -8.483
333 HH11 ARG 46 HH11 ARG 46 -12.991 3.396 -10.297
334 HH12 ARG 46 HH12 ARG 46 -13.171 4.328 -11.747
335 HH21 ARG 46 HH21 ARG 46 -15.494 6.567 -10.389
336 HH22 ARG 46 HH22 ARG 46 -14.581 6.121 -11.794
337 H GLY 47 H GLY 47 -11.861 3.462 -2.412
338 HA2 GLY 47 HA2 GLY 47 -10.086 1.153 -2.069
339 HA3 GLY 47 HA3 GLY 47 -10.767 2.171 -0.808
340 H ASP 48 H ASP 48 -11.686 -0.177 -3.289
341 HA ASP 48 HA ASP 48 -14.233 -0.869 -2.236
342 HB2 ASP 48 HB2 ASP 48 -12.423 -2.604 -3.987
343 HB3 ASP 48 HB3 ASP 48 -14.168 -2.769 -3.795
344 H VAL 49 H VAL 49 -11.208 -2.744 -2.287
345 HA VAL 49 HA VAL 49 -11.907 -4.238 0.115
346 HB VAL 49 HB VAL 49 -9.336 -4.362 -1.531
347 HG11 VAL 49 HG11 VAL 49 -10.491 -6.334 0.487
348 HG12 VAL 49 HG12 VAL 49 -9.080 -5.301 0.738
349 HG13 VAL 49 HG13 VAL 49 -9.027 -6.585 -0.472
350 HG21 VAL 49 HG21 VAL 49 -10.290 -6.342 -2.651
351 HG22 VAL 49 HG22 VAL 49 -11.284 -4.913 -2.948
352 HG23 VAL 49 HG23 VAL 49 -11.808 -6.120 -1.772
353 H GLU 50 H GLU 50 -11.996 -2.418 1.529
354 HA GLU 50 HA GLU 50 -9.740 -0.757 2.118
355 HB2 GLU 50 HB2 GLU 50 -11.018 -0.021 4.085
356 HB3 GLU 50 HB3 GLU 50 -12.045 -0.041 2.653
357 HG2 GLU 50 HG2 GLU 50 -13.067 -2.158 3.390
358 HG3 GLU 50 HG3 GLU 50 -12.014 -2.194 4.807
359 H GLU 51 H GLU 51 -10.592 -3.968 2.888
360 HA GLU 51 HA GLU 51 -9.289 -4.427 5.325
361 HB2 GLU 51 HB2 GLU 51 -9.557 -6.450 3.048
362 HB3 GLU 51 HB3 GLU 51 -9.348 -6.803 4.755
363 HG2 GLU 51 HG2 GLU 51 -11.603 -7.235 4.505
364 HG3 GLU 51 HG3 GLU 51 -11.652 -5.556 5.027
365 H SER 52 H SER 52 -8.059 -4.274 2.008
366 HA SER 52 HA SER 52 -5.378 -5.206 2.798
367 HB2 SER 52 HB2 SER 52 -6.566 -4.638 0.045
368 HB3 SER 52 HB3 SER 52 -4.966 -5.321 0.352
369 HG SER 52 HG SER 52 -5.838 -7.181 0.892
370 H MET 53 H MET 53 -6.992 -2.359 2.880
371 HA MET 53 HA MET 53 -5.141 -0.618 1.496
372 HB2 MET 53 HB2 MET 53 -7.561 -0.056 1.654
373 HB3 MET 53 HB3 MET 53 -7.405 0.099 3.399
374 HG2 MET 53 HG2 MET 53 -5.770 1.956 3.046
375 HG3 MET 53 HG3 MET 53 -6.057 1.832 1.310
376 HE1 MET 53 HE1 MET 53 -9.842 2.869 1.091
377 HE2 MET 53 HE2 MET 53 -9.292 1.213 1.353
378 HE3 MET 53 HE3 MET 53 -8.449 2.256 0.202
379 H LEU 54 H LEU 54 -3.221 -0.498 2.348
380 HA LEU 54 HA LEU 54 -2.586 -0.370 5.173
381 HB2 LEU 54 HB2 LEU 54 -0.792 -0.039 2.733
382 HB3 LEU 54 HB3 LEU 54 -0.279 -0.419 4.373
383 HG LEU 54 HG LEU 54 -2.000 -2.284 2.682
384 HD11 LEU 54 HD11 LEU 54 1.003 -2.329 3.052
385 HD12 LEU 54 HD12 LEU 54 0.120 -2.006 1.559
386 HD13 LEU 54 HD13 LEU 54 0.040 -3.605 2.292
387 HD21 LEU 54 HD21 LEU 54 -2.221 -2.647 5.094
388 HD22 LEU 54 HD22 LEU 54 -0.467 -2.761 5.265
389 HD23 LEU 54 HD23 LEU 54 -1.353 -3.988 4.352
390 H LEU 55 H LEU 55 -2.044 1.493 6.243
391 HA LEU 55 HA LEU 55 -2.441 4.054 4.847
392 HB2 LEU 55 HB2 LEU 55 -3.223 3.025 7.510
393 HB3 LEU 55 HB3 LEU 55 -2.440 4.586 7.629
394 HG LEU 55 HG LEU 55 -4.860 4.859 7.488
395 HD11 LEU 55 HD11 LEU 55 -3.434 6.616 6.534
396 HD12 LEU 55 HD12 LEU 55 -4.945 6.483 5.638
397 HD13 LEU 55 HD13 LEU 55 -3.458 5.815 4.957
398 HD21 LEU 55 HD21 LEU 55 -6.134 4.236 5.480
399 HD22 LEU 55 HD22 LEU 55 -5.440 2.813 6.253
400 HD23 LEU 55 HD23 LEU 55 -4.704 3.466 4.784
401 H CYS 56 H CYS 56 -0.699 5.297 4.421
402 HA CYS 56 HA CYS 56 1.869 4.756 5.560
403 HB2 CYS 56 HB2 CYS 56 1.642 5.576 3.217
404 HB3 CYS 56 HB3 CYS 56 0.996 7.097 3.819
405 H ASP 57 H ASP 57 2.213 5.235 7.591
406 HA ASP 57 HA ASP 57 0.846 6.990 9.262
407 HB2 ASP 57 HB2 ASP 57 3.764 6.141 9.544
408 HB3 ASP 57 HB3 ASP 57 2.705 6.689 10.843
409 H GLY 58 H GLY 58 3.853 7.536 7.467
410 HA2 GLY 58 HA2 GLY 58 3.945 10.380 8.238
411 HA3 GLY 58 HA3 GLY 58 5.262 9.446 7.552
412 H CYS 59 H CYS 59 1.935 9.615 6.352
413 HA CYS 59 HA CYS 59 2.443 11.743 4.455
414 HB2 CYS 59 HB2 CYS 59 1.908 8.918 3.456
415 HB3 CYS 59 HB3 CYS 59 1.622 10.333 2.474
416 H ASP 60 H ASP 60 0.224 11.566 2.898
417 HA ASP 60 HA ASP 60 -2.103 11.436 4.729
418 HB2 ASP 60 HB2 ASP 60 -1.893 12.882 2.041
419 HB3 ASP 60 HB3 ASP 60 -3.199 13.032 3.215
420 H ASP 61 H ASP 61 -0.598 9.414 2.822
421 HA ASP 61 HA ASP 61 -2.559 8.943 0.699
422 HB2 ASP 61 HB2 ASP 61 0.302 7.909 1.019
423 HB3 ASP 61 HB3 ASP 61 -0.731 7.668 -0.388
424 H SER 62 H SER 62 -3.375 6.916 0.270
425 HA SER 62 HA SER 62 -2.837 4.689 2.142
426 HB2 SER 62 HB2 SER 62 -5.535 5.437 0.931
427 HB3 SER 62 HB3 SER 62 -5.219 4.046 1.972
428 HG SER 62 HG SER 62 -4.296 6.156 3.233
429 H TYR 63 H TYR 63 -2.340 2.813 1.135
430 HA TYR 63 HA TYR 63 -2.811 2.489 -1.784
431 HB2 TYR 63 HB2 TYR 63 -0.317 1.669 -0.208
432 HB3 TYR 63 HB3 TYR 63 -0.627 1.229 -1.883
433 HD1 TYR 63 HD1 TYR 63 -0.089 4.203 0.352
434 HD2 TYR 63 HD2 TYR 63 0.099 2.665 -3.631
435 HE1 TYR 63 HE1 TYR 63 0.985 6.272 -0.394
436 HE2 TYR 63 HE2 TYR 63 1.169 4.755 -4.371
437 HH TYR 63 HH TYR 63 2.303 7.140 -2.150
438 H HIS 64 H HIS 64 -3.298 0.321 -2.379
439 HA HIS 64 HA HIS 64 -4.042 -1.510 -0.208
440 HB2 HIS 64 HB2 HIS 64 -4.355 -1.870 -3.226
441 HB3 HIS 64 HB3 HIS 64 -5.037 -2.920 -1.991
442 HD2 HIS 64 HD2 HIS 64 -6.897 -1.434 -0.244
443 HE1 HIS 64 HE1 HIS 64 -8.011 1.080 -3.441
444 HE2 HIS 64 HE2 HIS 64 -8.711 0.122 -1.203
445 H THR 65 H THR 65 -3.263 -3.756 -0.329
446 HA THR 65 HA THR 65 -0.467 -4.051 -0.496
447 HB THR 65 HB THR 65 -0.969 -6.534 -0.366
448 HG1 THR 65 HG1 THR 65 -2.855 -7.109 -1.072
449 HG21 THR 65 HG21 THR 65 -2.045 -6.483 1.860
450 HG22 THR 65 HG22 THR 65 -2.539 -4.811 1.590
451 HG23 THR 65 HG23 THR 65 -0.826 -5.213 1.723
452 H PHE 66 H PHE 66 -3.047 -4.564 -2.809
453 HA PHE 66 HA PHE 66 -1.171 -5.477 -4.897
454 HB2 PHE 66 HB2 PHE 66 -3.172 -6.361 -6.062
455 HB3 PHE 66 HB3 PHE 66 -2.987 -7.053 -4.463
456 HD1 PHE 66 HD1 PHE 66 -4.460 -6.072 -2.547
457 HD2 PHE 66 HD2 PHE 66 -5.261 -5.390 -6.703
458 HE1 PHE 66 HE1 PHE 66 -6.789 -5.495 -2.014
459 HE2 PHE 66 HE2 PHE 66 -7.583 -4.805 -6.147
460 HZ PHE 66 HZ PHE 66 -8.350 -4.855 -3.806
461 H CYS 67 H CYS 67 -1.486 -2.604 -4.065
462 HA CYS 67 HA CYS 67 -2.443 -1.386 -6.584
463 HB2 CYS 67 HB2 CYS 67 -1.580 -0.212 -3.914
464 HB3 CYS 67 HB3 CYS 67 -1.704 0.783 -5.354
465 H LEU 68 H LEU 68 0.288 -2.913 -5.572
466 HA LEU 68 HA LEU 68 2.219 -0.965 -6.712
467 HB2 LEU 68 HB2 LEU 68 2.599 -3.088 -4.559
468 HB3 LEU 68 HB3 LEU 68 3.903 -2.127 -5.240
469 HG LEU 68 HG LEU 68 1.563 -1.022 -3.609
470 HD11 LEU 68 HD11 LEU 68 3.239 -0.593 -1.874
471 HD12 LEU 68 HD12 LEU 68 4.479 -1.379 -2.853
472 HD13 LEU 68 HD13 LEU 68 3.111 -2.311 -2.236
473 HD21 LEU 68 HD21 LEU 68 2.766 1.124 -3.644
474 HD22 LEU 68 HD22 LEU 68 2.329 0.619 -5.272
475 HD23 LEU 68 HD23 LEU 68 3.995 0.439 -4.715
476 H LEU 69 H LEU 69 4.101 -1.908 -7.770
477 HA LEU 69 HA LEU 69 3.737 -4.616 -8.913
478 HB2 LEU 69 HB2 LEU 69 4.661 -2.145 -10.440
479 HB3 LEU 69 HB3 LEU 69 4.682 -3.786 -11.068
480 HG LEU 69 HG LEU 69 2.205 -2.152 -10.391
481 HD11 LEU 69 HD11 LEU 69 1.759 -2.238 -12.786
482 HD12 LEU 69 HD12 LEU 69 3.265 -3.125 -13.052
483 HD13 LEU 69 HD13 LEU 69 3.304 -1.462 -12.457
484 HD21 LEU 69 HD21 LEU 69 2.365 -4.998 -11.440
485 HD22 LEU 69 HD22 LEU 69 0.892 -4.036 -11.283
486 HD23 LEU 69 HD23 LEU 69 1.794 -4.500 -9.845
487 HA PRO 70 HA PRO 70 4.562 -6.412 -8.659
488 HB2 PRO 70 HB2 PRO 70 5.866 -8.220 -7.061
489 HB3 PRO 70 HB3 PRO 70 6.380 -7.906 -8.733
490 HG2 PRO 70 HG2 PRO 70 7.529 -6.790 -6.180
491 HG3 PRO 70 HG3 PRO 70 8.379 -7.464 -7.592
492 HD2 PRO 70 HD2 PRO 70 8.078 -4.774 -7.234
493 HD3 PRO 70 HD3 PRO 70 8.139 -5.517 -8.847
494 HA PRO 71 HA PRO 71 2.242 -5.242 -5.040
495 HB2 PRO 71 HB2 PRO 71 0.339 -7.208 -4.925
496 HB3 PRO 71 HB3 PRO 71 0.404 -6.040 -6.264
497 HG2 PRO 71 HG2 PRO 71 1.496 -8.850 -6.185
498 HG3 PRO 71 HG3 PRO 71 0.495 -8.078 -7.439
499 HD2 PRO 71 HD2 PRO 71 3.180 -8.270 -7.701
500 HD3 PRO 71 HD3 PRO 71 2.289 -6.861 -8.320
501 H LEU 72 H LEU 72 1.984 -5.593 -2.847
502 HA LEU 72 HA LEU 72 3.609 -7.531 -1.497
503 HB2 LEU 72 HB2 LEU 72 1.443 -5.742 -0.309
504 HB3 LEU 72 HB3 LEU 72 2.763 -6.519 0.555
505 HG LEU 72 HG LEU 72 3.049 -4.257 -1.468
506 HD11 LEU 72 HD11 LEU 72 2.059 -3.471 0.610
507 HD12 LEU 72 HD12 LEU 72 3.702 -2.861 0.438
508 HD13 LEU 72 HD13 LEU 72 3.370 -4.198 1.546
509 HD21 LEU 72 HD21 LEU 72 5.015 -5.708 -1.549
510 HD22 LEU 72 HD22 LEU 72 5.203 -5.600 0.205
511 HD23 LEU 72 HD23 LEU 72 5.421 -4.165 -0.804
512 H THR 73 H THR 73 2.821 -9.509 -2.262
513 HA THR 73 HA THR 73 0.126 -10.400 -2.202
514 HB THR 73 HB THR 73 1.133 -12.694 -2.517
515 HG1 THR 73 HG1 THR 73 3.115 -12.985 -1.880
516 HG21 THR 73 HG21 THR 73 2.396 -10.537 -4.266
517 HG22 THR 73 HG22 THR 73 0.793 -11.240 -4.500
518 HG23 THR 73 HG23 THR 73 2.230 -12.245 -4.689
519 H SER 74 H SER 74 2.656 -10.310 0.187
520 HA SER 74 HA SER 74 0.869 -11.436 2.258
521 HB2 SER 74 HB2 SER 74 3.831 -10.722 2.414
522 HB3 SER 74 HB3 SER 74 2.868 -11.433 3.712
523 HG SER 74 HG SER 74 4.150 -12.678 1.766
524 H ILE 75 H ILE 75 -0.111 -10.060 3.604
525 HA ILE 75 HA ILE 75 0.123 -7.215 3.428
526 HB ILE 75 HB ILE 75 -1.276 -8.868 5.589
527 HG12 ILE 75 HG12 ILE 75 -2.429 -7.718 3.001
528 HG13 ILE 75 HG13 ILE 75 -2.097 -9.421 3.302
529 HG21 ILE 75 HG21 ILE 75 -1.689 -5.944 4.817
530 HG22 ILE 75 HG22 ILE 75 -0.910 -6.525 6.290
531 HG23 ILE 75 HG23 ILE 75 -2.625 -6.835 6.022
532 HD11 ILE 75 HD11 ILE 75 -4.135 -7.731 4.752
533 HD12 ILE 75 HD12 ILE 75 -3.785 -9.432 5.075
534 HD13 ILE 75 HD13 ILE 75 -4.451 -8.948 3.517
535 HA PRO 76 HA PRO 76 3.673 -6.885 6.294
536 HB2 PRO 76 HB2 PRO 76 3.653 -4.130 6.567
537 HB3 PRO 76 HB3 PRO 76 4.272 -4.957 5.120
538 HG2 PRO 76 HG2 PRO 76 1.553 -3.746 5.570
539 HG3 PRO 76 HG3 PRO 76 2.653 -3.551 4.183
540 HD2 PRO 76 HD2 PRO 76 0.602 -5.268 4.054
541 HD3 PRO 76 HD3 PRO 76 2.172 -5.681 3.323
542 H LYS 77 H LYS 77 3.869 -4.943 8.280
543 HA LYS 77 HA LYS 77 2.345 -6.324 10.349
544 HB2 LYS 77 HB2 LYS 77 4.613 -4.295 10.510
545 HB3 LYS 77 HB3 LYS 77 3.897 -5.095 11.907
546 HG2 LYS 77 HG2 LYS 77 4.712 -7.251 11.190
547 HG3 LYS 77 HG3 LYS 77 5.229 -6.605 9.631
548 HD2 LYS 77 HD2 LYS 77 6.411 -5.784 12.324
549 HD3 LYS 77 HD3 LYS 77 7.121 -6.987 11.243
550 HE2 LYS 77 HE2 LYS 77 7.316 -5.223 9.479
551 HE3 LYS 77 HE3 LYS 77 6.714 -4.036 10.636
552 HZ1 LYS 77 HZ1 LYS 77 9.111 -4.005 10.490
553 HZ2 LYS 77 HZ2 LYS 77 9.197 -5.636 10.923
554 HZ3 LYS 77 HZ3 LYS 77 8.627 -4.494 12.030
555 H GLY 78 H GLY 78 0.254 -5.389 9.777
556 HA2 GLY 78 HA2 GLY 78 -1.525 -4.021 10.239
557 HA3 GLY 78 HA3 GLY 78 -0.514 -3.174 11.405
558 H GLU 79 H GLU 79 0.081 -1.131 10.908
559 HA GLU 79 HA GLU 79 -0.636 0.103 8.404
560 HB2 GLU 79 HB2 GLU 79 0.857 1.176 10.836
561 HB3 GLU 79 HB3 GLU 79 0.486 2.155 9.423
562 HG2 GLU 79 HG2 GLU 79 -1.115 2.617 11.191
563 HG3 GLU 79 HG3 GLU 79 -1.929 1.848 9.832
564 H TRP 80 H TRP 80 0.936 1.295 7.104
565 HA TRP 80 HA TRP 80 3.644 0.171 6.929
566 HB2 TRP 80 HB2 TRP 80 2.438 -1.553 5.790
567 HB3 TRP 80 HB3 TRP 80 1.361 -0.409 5.008
568 HD1 TRP 80 HD1 TRP 80 4.916 -1.901 4.641
569 HE1 TRP 80 HE1 TRP 80 5.674 -1.515 2.210
570 HE3 TRP 80 HE3 TRP 80 1.096 1.092 3.071
571 HZ2 TRP 80 HZ2 TRP 80 4.754 -0.118 -0.077
572 HZ3 TRP 80 HZ3 TRP 80 1.098 1.908 0.759
573 HH2 TRP 80 HH2 TRP 80 2.889 1.317 -0.782
574 H LEU 81 H LEU 81 5.026 1.666 6.143
575 HA LEU 81 HA LEU 81 4.135 4.266 5.289
576 HB2 LEU 81 HB2 LEU 81 6.904 3.015 5.443
577 HB3 LEU 81 HB3 LEU 81 6.618 4.690 4.983
578 HG LEU 81 HG LEU 81 5.993 3.457 7.697
579 HD11 LEU 81 HD11 LEU 81 7.779 4.902 8.541
580 HD12 LEU 81 HD12 LEU 81 8.126 5.455 6.899
581 HD13 LEU 81 HD13 LEU 81 8.386 3.764 7.340
582 HD21 LEU 81 HD21 LEU 81 5.645 6.321 6.753
583 HD22 LEU 81 HD22 LEU 81 5.429 5.741 8.409
584 HD23 LEU 81 HD23 LEU 81 4.349 5.180 7.136
585 H CYS 82 H CYS 82 3.897 4.976 3.263
586 HA CYS 82 HA CYS 82 3.868 3.447 0.948
587 HB2 CYS 82 HB2 CYS 82 3.788 5.632 -0.270
588 HB3 CYS 82 HB3 CYS 82 2.702 5.613 1.116
589 HA PRO 83 HA PRO 83 8.108 2.794 -0.273
590 HB2 PRO 83 HB2 PRO 83 7.408 3.576 -3.096
591 HB3 PRO 83 HB3 PRO 83 8.064 2.043 -2.479
592 HG2 PRO 83 HG2 PRO 83 5.520 2.160 -3.242
593 HG3 PRO 83 HG3 PRO 83 5.980 1.254 -1.779
594 HD2 PRO 83 HD2 PRO 83 4.773 4.019 -1.969
595 HD3 PRO 83 HD3 PRO 83 4.337 2.669 -0.895
596 H ARG 84 H ARG 84 6.575 5.742 -1.246
597 HA ARG 84 HA ARG 84 8.749 7.305 -2.113
598 HB2 ARG 84 HB2 ARG 84 6.178 8.260 -0.780
599 HB3 ARG 84 HB3 ARG 84 7.211 9.199 -1.864
600 HG2 ARG 84 HG2 ARG 84 6.639 7.718 -3.736
601 HG3 ARG 84 HG3 ARG 84 5.701 6.681 -2.660
602 HD2 ARG 84 HD2 ARG 84 4.183 8.659 -2.229
603 HD3 ARG 84 HD3 ARG 84 5.056 9.528 -3.500
604 HE ARG 84 HE ARG 84 3.701 6.942 -3.986
605 HH11 ARG 84 HH11 ARG 84 4.232 10.283 -4.989
606 HH12 ARG 84 HH12 ARG 84 3.282 10.097 -6.433
607 HH21 ARG 84 HH21 ARG 84 2.464 6.747 -5.839
608 HH22 ARG 84 HH22 ARG 84 2.281 8.101 -6.913
609 H CYS 85 H CYS 85 7.332 6.798 1.126
610 HA CYS 85 HA CYS 85 8.987 8.604 2.590
611 HB2 CYS 85 HB2 CYS 85 7.507 6.120 3.535
612 HB3 CYS 85 HB3 CYS 85 8.251 7.307 4.586
613 H VAL 86 H VAL 86 9.323 5.250 1.526
614 HA VAL 86 HA VAL 86 11.526 4.564 3.251
615 HB VAL 86 HB VAL 86 10.501 3.118 0.764
616 HG11 VAL 86 HG11 VAL 86 12.754 2.351 1.396
617 HG12 VAL 86 HG12 VAL 86 11.561 1.089 1.714
618 HG13 VAL 86 HG13 VAL 86 12.203 2.055 3.045
619 HG21 VAL 86 HG21 VAL 86 8.693 3.389 2.411
620 HG22 VAL 86 HG22 VAL 86 9.720 2.720 3.680
621 HG23 VAL 86 HG23 VAL 86 9.192 1.695 2.344
622 H VAL 87 H VAL 87 11.206 5.702 -0.106
623 HA VAL 87 HA VAL 87 13.886 5.425 -0.973
624 HB VAL 87 HB VAL 87 11.788 7.477 -1.834
625 HG11 VAL 87 HG11 VAL 87 14.038 8.271 -2.491
626 HG12 VAL 87 HG12 VAL 87 13.110 7.783 -3.910
627 HG13 VAL 87 HG13 VAL 87 14.367 6.720 -3.273
628 HG21 VAL 87 HG21 VAL 87 11.385 5.984 -3.757
629 HG22 VAL 87 HG22 VAL 87 11.083 5.150 -2.234
630 HG23 VAL 87 HG23 VAL 87 12.571 4.839 -3.125
631 H GLU 88 H GLU 88 12.212 7.940 0.821
632 HA GLU 88 HA GLU 88 14.522 9.700 1.009
633 HB2 GLU 88 HB2 GLU 88 11.761 9.820 2.294
634 HB3 GLU 88 HB3 GLU 88 12.987 11.082 2.425
635 HG2 GLU 88 HG2 GLU 88 12.904 11.402 -0.033
636 HG3 GLU 88 HG3 GLU 88 11.664 10.154 -0.147
637 H GLU 89 H GLU 89 15.719 10.085 2.851
638 HA GLU 89 HA GLU 89 15.978 8.028 4.833
639 HB2 GLU 89 HB2 GLU 89 17.246 10.798 4.691
640 HB3 GLU 89 HB3 GLU 89 17.718 9.523 5.816
641 HG2 GLU 89 HG2 GLU 89 18.303 8.091 3.819
642 HG3 GLU 89 HG3 GLU 89 18.005 9.498 2.795
643 H VAL 90 H VAL 90 16.267 8.921 7.238
644 HA VAL 90 HA VAL 90 15.063 8.991 9.135
645 HB VAL 90 HB VAL 90 13.743 11.484 7.966
646 HG11 VAL 90 HG11 VAL 90 12.595 10.685 9.991
647 HG12 VAL 90 HG12 VAL 90 13.446 12.192 10.331
648 HG13 VAL 90 HG13 VAL 90 14.128 10.655 10.869
649 HG21 VAL 90 HG21 VAL 90 15.528 12.789 9.087
650 HG22 VAL 90 HG22 VAL 90 16.185 11.715 7.846
651 HG23 VAL 90 HG23 VAL 90 16.327 11.286 9.553
652 H SER 91 H SER 91 14.053 7.020 8.463
653 HA SER 91 HA SER 91 11.148 7.124 8.251
654 HB2 SER 91 HB2 SER 91 11.933 7.329 5.866
655 HB3 SER 91 HB3 SER 91 12.774 5.787 6.030
656 HG SER 91 HG SER 91 10.387 6.057 5.214
657 H LYS 92 H LYS 92 10.350 4.752 7.994
658 HA LYS 92 HA LYS 92 11.991 2.929 9.659
659 HB2 LYS 92 HB2 LYS 92 10.029 3.742 10.912
660 HB3 LYS 92 HB3 LYS 92 8.962 3.257 9.600
661 HG2 LYS 92 HG2 LYS 92 9.573 0.873 10.015
662 HG3 LYS 92 HG3 LYS 92 10.589 1.390 11.363
663 HD2 LYS 92 HD2 LYS 92 8.435 0.597 12.209
664 HD3 LYS 92 HD3 LYS 92 8.587 2.333 12.496
665 HE2 LYS 92 HE2 LYS 92 7.200 2.717 10.409
666 HE3 LYS 92 HE3 LYS 92 6.948 0.972 10.324
667 HZ1 LYS 92 HZ1 LYS 92 5.088 1.966 11.402
668 HZ2 LYS 92 HZ2 LYS 92 6.074 2.807 12.486
669 HZ3 LYS 92 HZ3 LYS 92 5.964 1.122 12.583
670 HA PRO 93 HA PRO 93 11.209 0.359 5.930
671 HB2 PRO 93 HB2 PRO 93 13.807 -0.161 5.270
672 HB3 PRO 93 HB3 PRO 93 13.008 1.343 4.779
673 HG2 PRO 93 HG2 PRO 93 15.115 0.944 6.818
674 HG3 PRO 93 HG3 PRO 93 14.650 2.419 5.948
675 HD2 PRO 93 HD2 PRO 93 13.872 1.610 8.635
676 HD3 PRO 93 HD3 PRO 93 13.493 3.125 7.789
677 H GLN 94 H GLN 94 12.849 -1.877 5.608
678 HA GLN 94 HA GLN 94 13.176 -3.193 8.205
679 HB2 GLN 94 HB2 GLN 94 10.824 -3.662 7.507
680 HB3 GLN 94 HB3 GLN 94 11.413 -4.362 6.000
681 HG2 GLN 94 HG2 GLN 94 12.698 -6.049 7.437
682 HG3 GLN 94 HG3 GLN 94 11.790 -5.431 8.817
683 HE21 GLN 94 HE21 GLN 94 11.600 -7.176 5.807
684 HE22 GLN 94 HE22 GLN 94 10.040 -7.870 6.061
Start of MODEL 17
1 H1 SER 1 H1 SER 1 -61.267 53.183 59.115
2 H2 SER 1 H2 SER 1 -60.584 52.902 57.595
3 H3 SER 1 H3 SER 1 -61.654 54.192 57.815
4 HA SER 1 HA SER 1 -60.134 55.301 59.261
5 HB2 SER 1 HB2 SER 1 -58.280 52.934 58.722
6 HB3 SER 1 HB3 SER 1 -57.872 54.363 59.675
7 HG SER 1 HG SER 1 -59.410 53.774 61.187
8 H HIS 2 H HIS 2 -59.162 56.991 58.216
9 HA HIS 2 HA HIS 2 -58.972 57.062 55.385
10 HB2 HIS 2 HB2 HIS 2 -59.430 59.120 56.599
11 HB3 HIS 2 HB3 HIS 2 -57.936 58.989 57.515
12 HD2 HIS 2 HD2 HIS 2 -55.708 60.088 56.313
13 HE1 HIS 2 HE1 HIS 2 -57.635 61.144 52.703
14 HE2 HIS 2 HE2 HIS 2 -55.443 61.144 53.959
15 H MET 3 H MET 3 -57.495 55.980 54.274
16 HA MET 3 HA MET 3 -54.741 55.592 55.205
17 HB2 MET 3 HB2 MET 3 -56.184 54.632 52.690
18 HB3 MET 3 HB3 MET 3 -54.541 54.195 53.137
19 HG2 MET 3 HG2 MET 3 -55.529 53.200 55.266
20 HG3 MET 3 HG3 MET 3 -57.106 53.406 54.510
21 HE1 MET 3 HE1 MET 3 -56.768 51.006 51.366
22 HE2 MET 3 HE2 MET 3 -56.409 52.733 51.384
23 HE3 MET 3 HE3 MET 3 -57.833 52.117 52.225
24 H SER 4 H SER 4 -52.985 56.013 53.524
25 HA SER 4 HA SER 4 -52.974 58.785 52.793
26 HB2 SER 4 HB2 SER 4 -50.917 56.620 52.132
27 HB3 SER 4 HB3 SER 4 -50.650 58.364 52.089
28 HG SER 4 HG SER 4 -49.953 57.966 54.049
29 H GLY 5 H GLY 5 -54.876 58.626 51.313
30 HA2 GLY 5 HA2 GLY 5 -55.815 58.687 49.227
31 HA3 GLY 5 HA3 GLY 5 -54.200 58.527 48.555
32 H GLY 6 H GLY 6 -53.302 56.369 48.395
33 HA2 GLY 6 HA2 GLY 6 -53.487 54.020 48.113
34 HA3 GLY 6 HA3 GLY 6 -55.244 54.149 48.153
35 H SER 7 H SER 7 -55.823 53.318 46.204
36 HA SER 7 HA SER 7 -55.568 54.921 43.883
37 HB2 SER 7 HB2 SER 7 -54.390 53.232 42.418
38 HB3 SER 7 HB3 SER 7 -53.343 53.926 43.654
39 HG SER 7 HG SER 7 -54.631 51.632 44.452
40 HA PRO 8 HA PRO 8 -59.336 52.503 43.113
41 HB2 PRO 8 HB2 PRO 8 -59.905 53.295 40.566
42 HB3 PRO 8 HB3 PRO 8 -60.065 54.400 41.946
43 HG2 PRO 8 HG2 PRO 8 -57.792 54.160 39.993
44 HG3 PRO 8 HG3 PRO 8 -58.628 55.625 40.559
45 HD2 PRO 8 HD2 PRO 8 -56.257 54.839 41.614
46 HD3 PRO 8 HD3 PRO 8 -57.497 55.651 42.597
47 H LEU 9 H LEU 9 -60.054 51.445 40.534
48 HA LEU 9 HA LEU 9 -57.856 49.719 39.660
49 HB2 LEU 9 HB2 LEU 9 -59.346 47.660 39.822
50 HB3 LEU 9 HB3 LEU 9 -58.739 48.301 41.335
51 HG LEU 9 HG LEU 9 -61.046 49.421 41.640
52 HD11 LEU 9 HD11 LEU 9 -61.900 47.467 39.484
53 HD12 LEU 9 HD12 LEU 9 -61.925 49.228 39.361
54 HD13 LEU 9 HD13 LEU 9 -62.972 48.414 40.521
55 HD21 LEU 9 HD21 LEU 9 -62.048 47.394 42.586
56 HD22 LEU 9 HD22 LEU 9 -60.326 47.484 42.948
57 HD23 LEU 9 HD23 LEU 9 -60.902 46.392 41.686
58 H ALA 10 H ALA 10 -58.832 48.198 37.804
59 HA ALA 10 HA ALA 10 -60.810 49.626 36.151
60 HB1 ALA 10 HB1 ALA 10 -58.031 48.821 35.172
61 HB2 ALA 10 HB2 ALA 10 -58.625 50.470 35.382
62 HB3 ALA 10 HB3 ALA 10 -59.340 49.429 34.152
63 H THR 11 H THR 11 -62.320 48.120 35.726
64 HA THR 11 HA THR 11 -61.710 45.257 35.754
65 HB THR 11 HB THR 11 -64.214 45.007 35.496
66 HG1 THR 11 HG1 THR 11 -65.245 46.716 34.797
67 HG21 THR 11 HG21 THR 11 -63.231 45.082 37.771
68 HG22 THR 11 HG22 THR 11 -64.822 45.849 37.738
69 HG23 THR 11 HG23 THR 11 -63.364 46.842 37.768
70 H GLY 12 H GLY 12 -62.599 47.812 33.505
71 HA2 GLY 12 HA2 GLY 12 -63.049 46.043 31.233
72 HA3 GLY 12 HA3 GLY 12 -63.150 47.793 31.256
73 H THR 13 H THR 13 -60.602 45.401 31.930
74 HA THR 13 HA THR 13 -59.041 46.218 29.632
75 HB THR 13 HB THR 13 -58.159 47.862 31.170
76 HG1 THR 13 HG1 THR 13 -56.403 47.215 30.144
77 HG21 THR 13 HG21 THR 13 -58.825 46.886 33.337
78 HG22 THR 13 HG22 THR 13 -57.113 47.317 33.332
79 HG23 THR 13 HG23 THR 13 -57.599 45.629 33.156
80 H THR 14 H THR 14 -58.698 44.312 28.714
81 HA THR 14 HA THR 14 -57.710 42.027 30.331
82 HB THR 14 HB THR 14 -60.022 41.506 29.784
83 HG1 THR 14 HG1 THR 14 -59.699 39.594 28.510
84 HG21 THR 14 HG21 THR 14 -60.400 43.002 27.876
85 HG22 THR 14 HG22 THR 14 -60.878 41.351 27.477
86 HG23 THR 14 HG23 THR 14 -59.355 42.001 26.863
87 H ALA 15 H ALA 15 -56.319 40.568 29.196
88 HA ALA 15 HA ALA 15 -54.404 42.010 27.601
89 HB1 ALA 15 HB1 ALA 15 -52.989 40.023 27.891
90 HB2 ALA 15 HB2 ALA 15 -54.354 39.132 28.575
91 HB3 ALA 15 HB3 ALA 15 -53.694 40.528 29.426
92 H ASN 16 H ASN 16 -55.595 42.393 25.699
93 HA ASN 16 HA ASN 16 -55.370 40.166 23.757
94 HB2 ASN 16 HB2 ASN 16 -57.437 42.412 23.789
95 HB3 ASN 16 HB3 ASN 16 -57.115 41.425 22.370
96 HD21 ASN 16 HD21 ASN 16 -57.804 39.273 22.332
97 HD22 ASN 16 HD22 ASN 16 -58.919 38.634 23.488
98 H THR 17 H THR 17 -53.983 40.524 22.149
99 HA THR 17 HA THR 17 -53.244 43.138 21.188
100 HB THR 17 HB THR 17 -51.904 42.990 23.308
101 HG1 THR 17 HG1 THR 17 -51.026 44.189 21.585
102 HG21 THR 17 HG21 THR 17 -50.499 40.643 21.984
103 HG22 THR 17 HG22 THR 17 -51.552 40.547 23.398
104 HG23 THR 17 HG23 THR 17 -50.021 41.419 23.493
105 H ARG 18 H ARG 18 -51.782 43.015 19.352
106 HA ARG 18 HA ARG 18 -51.402 40.325 18.173
107 HB2 ARG 18 HB2 ARG 18 -52.434 42.813 16.739
108 HB3 ARG 18 HB3 ARG 18 -51.815 41.400 15.898
109 HG2 ARG 18 HG2 ARG 18 -53.619 40.020 16.937
110 HG3 ARG 18 HG3 ARG 18 -54.267 41.486 17.682
111 HD2 ARG 18 HD2 ARG 18 -55.476 40.844 15.603
112 HD3 ARG 18 HD3 ARG 18 -54.741 42.443 15.484
113 HE ARG 18 HE ARG 18 -52.865 41.236 14.269
114 HH11 ARG 18 HH11 ARG 18 -56.207 40.105 14.064
115 HH12 ARG 18 HH12 ARG 18 -55.971 39.366 12.507
116 HH21 ARG 18 HH21 ARG 18 -52.594 40.257 12.252
117 HH22 ARG 18 HH22 ARG 18 -53.931 39.453 11.489
118 H GLY 19 H GLY 19 -49.268 40.184 18.647
119 HA2 GLY 19 HA2 GLY 19 -47.403 42.109 17.356
120 HA3 GLY 19 HA3 GLY 19 -47.098 41.417 18.945
121 H ALA 20 H ALA 20 -48.054 40.262 15.722
122 HA ALA 20 HA ALA 20 -46.730 37.739 15.932
123 HB1 ALA 20 HB1 ALA 20 -47.783 39.209 13.481
124 HB2 ALA 20 HB2 ALA 20 -48.677 38.057 14.478
125 HB3 ALA 20 HB3 ALA 20 -47.294 37.513 13.532
126 H SER 21 H SER 21 -44.717 37.104 15.230
127 HA SER 21 HA SER 21 -42.883 39.161 14.119
128 HB2 SER 21 HB2 SER 21 -41.090 38.187 15.529
129 HB3 SER 21 HB3 SER 21 -42.425 38.762 16.522
130 HG SER 21 HG SER 21 -43.128 36.625 16.745
131 H GLN 22 H GLN 22 -41.026 38.264 12.938
132 HA GLN 22 HA GLN 22 -41.434 35.544 11.835
133 HB2 GLN 22 HB2 GLN 22 -40.688 38.076 10.297
134 HB3 GLN 22 HB3 GLN 22 -40.511 36.458 9.632
135 HG2 GLN 22 HG2 GLN 22 -43.167 37.591 10.566
136 HG3 GLN 22 HG3 GLN 22 -42.595 37.712 8.908
137 HE21 GLN 22 HE21 GLN 22 -43.804 35.555 11.367
138 HE22 GLN 22 HE22 GLN 22 -44.132 34.220 10.325
139 H LYS 23 H LYS 23 -39.901 34.681 13.268
140 HA LYS 23 HA LYS 23 -37.115 35.606 13.059
141 HB2 LYS 23 HB2 LYS 23 -36.645 33.915 14.834
142 HB3 LYS 23 HB3 LYS 23 -37.892 35.054 15.326
143 HG2 LYS 23 HG2 LYS 23 -39.629 33.423 14.982
144 HG3 LYS 23 HG3 LYS 23 -38.505 32.293 14.229
145 HD2 LYS 23 HD2 LYS 23 -37.301 32.120 16.437
146 HD3 LYS 23 HD3 LYS 23 -38.550 33.144 17.155
147 HE2 LYS 23 HE2 LYS 23 -40.267 31.460 16.631
148 HE3 LYS 23 HE3 LYS 23 -39.065 30.458 15.818
149 HZ1 LYS 23 HZ1 LYS 23 -37.910 30.209 17.938
150 HZ2 LYS 23 HZ2 LYS 23 -39.499 29.643 18.031
151 HZ3 LYS 23 HZ3 LYS 23 -39.095 31.137 18.711
152 H LYS 24 H LYS 24 -35.730 34.681 11.647
153 HA LYS 24 HA LYS 24 -36.492 32.181 10.258
154 HB2 LYS 24 HB2 LYS 24 -34.429 34.303 9.510
155 HB3 LYS 24 HB3 LYS 24 -34.746 32.837 8.583
156 HG2 LYS 24 HG2 LYS 24 -37.111 33.591 8.265
157 HG3 LYS 24 HG3 LYS 24 -36.702 35.103 9.086
158 HD2 LYS 24 HD2 LYS 24 -35.075 35.646 7.321
159 HD3 LYS 24 HD3 LYS 24 -35.388 34.097 6.530
160 HE2 LYS 24 HE2 LYS 24 -37.769 34.815 6.186
161 HE3 LYS 24 HE3 LYS 24 -37.352 36.395 6.853
162 HZ1 LYS 24 HZ1 LYS 24 -36.114 35.182 4.433
163 HZ2 LYS 24 HZ2 LYS 24 -35.787 36.720 5.052
164 HZ3 LYS 24 HZ3 LYS 24 -37.314 36.372 4.420
165 H GLY 25 H GLY 25 -35.097 30.432 10.133
166 HA2 GLY 25 HA2 GLY 25 -33.429 29.906 12.386
167 HA3 GLY 25 HA3 GLY 25 -33.652 28.872 10.985
168 H GLY 26 H GLY 26 -32.480 29.537 8.965
169 HA2 GLY 26 HA2 GLY 26 -30.510 29.891 7.835
170 HA3 GLY 26 HA3 GLY 26 -30.259 31.267 8.904
171 H GLU 27 H GLU 27 -30.361 27.735 9.360
172 HA GLU 27 HA GLU 27 -28.114 27.900 11.263
173 HB2 GLU 27 HB2 GLU 27 -30.290 25.786 10.938
174 HB3 GLU 27 HB3 GLU 27 -29.042 25.771 12.181
175 HG2 GLU 27 HG2 GLU 27 -29.987 27.773 13.209
176 HG3 GLU 27 HG3 GLU 27 -31.145 27.935 11.894
177 HA PRO 28 HA PRO 28 -25.924 25.083 8.320
178 HB2 PRO 28 HB2 PRO 28 -23.402 25.978 8.887
179 HB3 PRO 28 HB3 PRO 28 -24.433 26.782 7.686
180 HG2 PRO 28 HG2 PRO 28 -23.858 27.586 10.508
181 HG3 PRO 28 HG3 PRO 28 -24.004 28.600 9.057
182 HD2 PRO 28 HD2 PRO 28 -26.029 28.281 10.912
183 HD3 PRO 28 HD3 PRO 28 -26.303 28.714 9.212
184 HA PRO 29 HA PRO 29 -25.417 22.425 12.058
185 HB2 PRO 29 HB2 PRO 29 -24.291 20.533 9.995
186 HB3 PRO 29 HB3 PRO 29 -25.559 20.258 11.213
187 HG2 PRO 29 HG2 PRO 29 -26.234 20.547 8.670
188 HG3 PRO 29 HG3 PRO 29 -27.213 21.315 9.942
189 HD2 PRO 29 HD2 PRO 29 -25.149 22.579 8.129
190 HD3 PRO 29 HD3 PRO 29 -26.759 23.178 8.599
191 H ALA 30 H ALA 30 -23.607 21.303 13.127
192 HA ALA 30 HA ALA 30 -21.257 22.843 13.236
193 HB1 ALA 30 HB1 ALA 30 -21.733 20.056 14.336
194 HB2 ALA 30 HB2 ALA 30 -22.121 21.575 15.148
195 HB3 ALA 30 HB3 ALA 30 -20.438 21.156 14.825
196 H LEU 31 H LEU 31 -18.983 21.769 13.168
197 HA LEU 31 HA LEU 31 -18.404 21.004 10.462
198 HB2 LEU 31 HB2 LEU 31 -16.575 21.129 12.892
199 HB3 LEU 31 HB3 LEU 31 -16.029 20.941 11.232
200 HG LEU 31 HG LEU 31 -17.399 23.388 12.417
201 HD11 LEU 31 HD11 LEU 31 -14.571 23.031 11.391
202 HD12 LEU 31 HD12 LEU 31 -15.062 23.176 13.081
203 HD13 LEU 31 HD13 LEU 31 -15.282 24.533 11.982
204 HD21 LEU 31 HD21 LEU 31 -17.059 24.490 10.238
205 HD22 LEU 31 HD22 LEU 31 -18.166 23.125 10.114
206 HD23 LEU 31 HD23 LEU 31 -16.500 22.966 9.546
207 H ILE 32 H ILE 32 -16.251 19.159 10.792
208 HA ILE 32 HA ILE 32 -15.828 16.954 10.553
209 HB ILE 32 HB ILE 32 -18.008 16.366 12.630
210 HG12 ILE 32 HG12 ILE 32 -15.057 16.959 13.175
211 HG13 ILE 32 HG13 ILE 32 -16.368 18.089 13.471
212 HG21 ILE 32 HG21 ILE 32 -17.176 14.337 11.488
213 HG22 ILE 32 HG22 ILE 32 -16.669 14.352 13.176
214 HG23 ILE 32 HG23 ILE 32 -15.517 14.766 11.906
215 HD11 ILE 32 HD11 ILE 32 -15.979 15.437 14.868
216 HD12 ILE 32 HD12 ILE 32 -17.286 16.584 15.170
217 HD13 ILE 32 HD13 ILE 32 -15.621 17.037 15.522
218 H VAL 33 H VAL 33 -17.734 18.384 8.935
219 HA VAL 33 HA VAL 33 -19.658 16.369 7.993
220 HB VAL 33 HB VAL 33 -20.355 18.229 6.345
221 HG11 VAL 33 HG11 VAL 33 -21.673 17.719 8.355
222 HG12 VAL 33 HG12 VAL 33 -21.685 19.452 8.026
223 HG13 VAL 33 HG13 VAL 33 -20.664 18.805 9.315
224 HG21 VAL 33 HG21 VAL 33 -19.755 20.560 6.902
225 HG22 VAL 33 HG22 VAL 33 -18.318 19.635 6.465
226 HG23 VAL 33 HG23 VAL 33 -18.652 19.986 8.161
227 H ASP 34 H ASP 34 -17.589 15.103 7.605
228 HA ASP 34 HA ASP 34 -16.477 15.599 4.900
229 HB2 ASP 34 HB2 ASP 34 -14.968 14.659 7.384
230 HB3 ASP 34 HB3 ASP 34 -14.296 14.666 5.761
231 HA PRO 35 HA PRO 35 -17.977 11.208 4.909
232 HB2 PRO 35 HB2 PRO 35 -19.572 11.292 2.734
233 HB3 PRO 35 HB3 PRO 35 -20.112 11.976 4.282
234 HG2 PRO 35 HG2 PRO 35 -19.048 13.401 1.869
235 HG3 PRO 35 HG3 PRO 35 -20.410 13.841 2.924
236 HD2 PRO 35 HD2 PRO 35 -17.840 14.911 3.135
237 HD3 PRO 35 HD3 PRO 35 -19.044 14.905 4.442
238 H LEU 36 H LEU 36 -16.466 13.245 2.502
239 HA LEU 36 HA LEU 36 -15.705 11.034 0.732
240 HB2 LEU 36 HB2 LEU 36 -16.680 13.161 -0.180
241 HB3 LEU 36 HB3 LEU 36 -15.283 14.033 0.422
242 HG LEU 36 HG LEU 36 -13.814 12.755 -1.134
243 HD11 LEU 36 HD11 LEU 36 -14.771 11.317 -2.862
244 HD12 LEU 36 HD12 LEU 36 -16.379 11.505 -2.158
245 HD13 LEU 36 HD13 LEU 36 -15.106 10.679 -1.254
246 HD21 LEU 36 HD21 LEU 36 -14.557 13.806 -3.226
247 HD22 LEU 36 HD22 LEU 36 -14.734 14.914 -1.867
248 HD23 LEU 36 HD23 LEU 36 -16.154 14.098 -2.531
249 H MET 37 H MET 37 -14.434 12.802 3.348
250 HA MET 37 HA MET 37 -11.624 12.605 2.678
251 HB2 MET 37 HB2 MET 37 -12.570 14.418 4.119
252 HB3 MET 37 HB3 MET 37 -12.961 13.230 5.346
253 HG2 MET 37 HG2 MET 37 -10.979 14.452 5.994
254 HG3 MET 37 HG3 MET 37 -10.542 12.781 5.661
255 HE1 MET 37 HE1 MET 37 -9.564 12.192 2.951
256 HE2 MET 37 HE2 MET 37 -8.450 12.202 4.319
257 HE3 MET 37 HE3 MET 37 -8.012 13.008 2.812
258 H LYS 38 H LYS 38 -13.836 10.251 3.509
259 HA LYS 38 HA LYS 38 -12.371 8.536 5.217
260 HB2 LYS 38 HB2 LYS 38 -14.782 8.233 4.696
261 HB3 LYS 38 HB3 LYS 38 -14.372 7.791 3.042
262 HG2 LYS 38 HG2 LYS 38 -13.290 5.756 3.780
263 HG3 LYS 38 HG3 LYS 38 -13.441 6.228 5.478
264 HD2 LYS 38 HD2 LYS 38 -15.889 6.062 5.335
265 HD3 LYS 38 HD3 LYS 38 -15.786 5.683 3.611
266 HE2 LYS 38 HE2 LYS 38 -14.661 3.979 5.854
267 HE3 LYS 38 HE3 LYS 38 -16.164 3.669 4.987
268 HZ1 LYS 38 HZ1 LYS 38 -14.847 3.458 2.929
269 HZ2 LYS 38 HZ2 LYS 38 -14.408 2.312 4.093
270 HZ3 LYS 38 HZ3 LYS 38 -13.424 3.659 3.823
271 H TYR 39 H TYR 39 -10.752 7.092 4.815
272 HA TYR 39 HA TYR 39 -8.913 7.891 2.884
273 HB2 TYR 39 HB2 TYR 39 -8.939 5.551 4.804
274 HB3 TYR 39 HB3 TYR 39 -7.585 5.834 3.714
275 HD1 TYR 39 HD1 TYR 39 -9.538 7.355 6.518
276 HD2 TYR 39 HD2 TYR 39 -5.942 7.520 4.211
277 HE1 TYR 39 HE1 TYR 39 -8.598 8.982 8.102
278 HE2 TYR 39 HE2 TYR 39 -5.007 9.147 5.794
279 HH TYR 39 HH TYR 39 -6.419 9.821 8.821
280 H ILE 40 H ILE 40 -9.253 7.658 0.821
281 HA ILE 40 HA ILE 40 -10.093 5.139 -0.444
282 HB ILE 40 HB ILE 40 -9.535 7.938 -1.546
283 HG12 ILE 40 HG12 ILE 40 -11.618 7.760 -0.229
284 HG13 ILE 40 HG13 ILE 40 -11.971 8.053 -1.924
285 HG21 ILE 40 HG21 ILE 40 -10.512 5.516 -3.103
286 HG22 ILE 40 HG22 ILE 40 -8.954 6.321 -3.289
287 HG23 ILE 40 HG23 ILE 40 -10.438 7.168 -3.720
288 HD11 ILE 40 HD11 ILE 40 -12.222 5.420 -0.465
289 HD12 ILE 40 HD12 ILE 40 -12.508 5.644 -2.193
290 HD13 ILE 40 HD13 ILE 40 -13.529 6.465 -1.015
291 H CYS 41 H CYS 41 -8.680 3.939 -1.844
292 HA CYS 41 HA CYS 41 -5.829 4.278 -1.657
293 HB2 CYS 41 HB2 CYS 41 -6.700 2.049 -1.931
294 HB3 CYS 41 HB3 CYS 41 -7.619 2.500 -3.363
295 H HIS 42 H HIS 42 -4.894 5.903 -2.634
296 HA HIS 42 HA HIS 42 -6.125 7.769 -4.281
297 HB2 HIS 42 HB2 HIS 42 -3.936 7.914 -2.833
298 HB3 HIS 42 HB3 HIS 42 -3.102 7.454 -4.314
299 HD1 HIS 42 HD1 HIS 42 -3.452 10.283 -2.522
300 HD2 HIS 42 HD2 HIS 42 -4.487 9.441 -6.457
301 HE1 HIS 42 HE1 HIS 42 -3.591 12.514 -3.680
302 HE2 HIS 42 HE2 HIS 42 -4.333 11.987 -6.025
303 H ILE 43 H ILE 43 -3.741 5.318 -5.207
304 HA ILE 43 HA ILE 43 -3.586 5.725 -7.945
305 HB ILE 43 HB ILE 43 -3.254 3.124 -6.383
306 HG12 ILE 43 HG12 ILE 43 -1.205 5.215 -7.253
307 HG13 ILE 43 HG13 ILE 43 -1.757 4.939 -5.609
308 HG21 ILE 43 HG21 ILE 43 -2.243 3.741 -9.184
309 HG22 ILE 43 HG22 ILE 43 -3.542 2.617 -8.781
310 HG23 ILE 43 HG23 ILE 43 -1.892 2.284 -8.255
311 HD11 ILE 43 HD11 ILE 43 -0.091 3.066 -7.292
312 HD12 ILE 43 HD12 ILE 43 -0.719 2.684 -5.686
313 HD13 ILE 43 HD13 ILE 43 0.428 4.007 -5.893
314 H CYS 44 H CYS 44 -6.084 3.928 -6.132
315 HA CYS 44 HA CYS 44 -7.225 2.668 -8.517
316 HB2 CYS 44 HB2 CYS 44 -8.043 2.602 -5.586
317 HB3 CYS 44 HB3 CYS 44 -8.956 1.804 -6.890
318 H ASN 45 H ASN 45 -7.780 5.478 -6.467
319 HA ASN 45 HA ASN 45 -9.415 7.042 -6.209
320 HB2 ASN 45 HB2 ASN 45 -9.057 7.329 -8.708
321 HB3 ASN 45 HB3 ASN 45 -10.395 6.213 -8.995
322 HD21 ASN 45 HD21 ASN 45 -11.806 7.589 -9.953
323 HD22 ASN 45 HD22 ASN 45 -12.466 8.997 -9.200
324 H ARG 46 H ARG 46 -9.871 4.003 -5.708
325 HA ARG 46 HA ARG 46 -12.754 4.086 -5.097
326 HB2 ARG 46 HB2 ARG 46 -11.263 2.130 -6.772
327 HB3 ARG 46 HB3 ARG 46 -12.127 1.342 -5.461
328 HG2 ARG 46 HG2 ARG 46 -13.478 1.357 -7.466
329 HG3 ARG 46 HG3 ARG 46 -14.231 2.353 -6.226
330 HD2 ARG 46 HD2 ARG 46 -13.417 4.383 -7.357
331 HD3 ARG 46 HD3 ARG 46 -12.617 3.391 -8.582
332 HE ARG 46 HE ARG 46 -15.330 2.690 -8.537
333 HH11 ARG 46 HH11 ARG 46 -13.375 5.498 -9.408
334 HH12 ARG 46 HH12 ARG 46 -14.512 6.083 -10.578
335 HH21 ARG 46 HH21 ARG 46 -16.801 3.435 -10.072
336 HH22 ARG 46 HH22 ARG 46 -16.483 4.892 -10.959
337 H GLY 47 H GLY 47 -13.317 3.229 -3.142
338 HA2 GLY 47 HA2 GLY 47 -11.204 2.077 -1.376
339 HA3 GLY 47 HA3 GLY 47 -12.555 3.055 -0.807
340 H ASP 48 H ASP 48 -12.815 0.604 -3.309
341 HA ASP 48 HA ASP 48 -15.156 -0.550 -2.177
342 HB2 ASP 48 HB2 ASP 48 -14.777 -0.457 -4.621
343 HB3 ASP 48 HB3 ASP 48 -13.383 -1.514 -4.479
344 H VAL 49 H VAL 49 -11.902 -1.927 -2.740
345 HA VAL 49 HA VAL 49 -12.343 -3.985 -0.681
346 HB VAL 49 HB VAL 49 -9.985 -3.719 -2.613
347 HG11 VAL 49 HG11 VAL 49 -10.899 -6.097 -0.947
348 HG12 VAL 49 HG12 VAL 49 -9.474 -5.100 -0.645
349 HG13 VAL 49 HG13 VAL 49 -9.559 -6.095 -2.097
350 HG21 VAL 49 HG21 VAL 49 -11.046 -5.453 -4.004
351 HG22 VAL 49 HG22 VAL 49 -12.069 -4.018 -3.899
352 HG23 VAL 49 HG23 VAL 49 -12.463 -5.452 -2.948
353 H GLU 50 H GLU 50 -12.356 -2.012 0.794
354 HA GLU 50 HA GLU 50 -9.944 -0.573 1.343
355 HB2 GLU 50 HB2 GLU 50 -11.132 0.390 3.237
356 HB3 GLU 50 HB3 GLU 50 -12.184 0.367 1.828
357 HG2 GLU 50 HG2 GLU 50 -13.491 -1.423 2.689
358 HG3 GLU 50 HG3 GLU 50 -12.312 -1.800 3.941
359 H GLU 51 H GLU 51 -11.118 -3.649 2.379
360 HA GLU 51 HA GLU 51 -9.720 -3.980 4.816
361 HB2 GLU 51 HB2 GLU 51 -10.000 -6.392 4.468
362 HB3 GLU 51 HB3 GLU 51 -11.478 -5.542 4.037
363 HG2 GLU 51 HG2 GLU 51 -10.995 -5.774 1.659
364 HG3 GLU 51 HG3 GLU 51 -9.419 -6.484 2.013
365 H SER 52 H SER 52 -8.667 -4.046 1.507
366 HA SER 52 HA SER 52 -6.046 -5.220 2.180
367 HB2 SER 52 HB2 SER 52 -7.544 -6.264 0.390
368 HB3 SER 52 HB3 SER 52 -7.241 -4.830 -0.591
369 HG SER 52 HG SER 52 -5.210 -6.515 0.465
370 H MET 53 H MET 53 -7.089 -2.208 2.355
371 HA MET 53 HA MET 53 -4.765 -1.040 0.943
372 HB2 MET 53 HB2 MET 53 -5.625 1.175 1.400
373 HB3 MET 53 HB3 MET 53 -6.893 0.219 0.663
374 HG2 MET 53 HG2 MET 53 -8.005 -0.012 2.812
375 HG3 MET 53 HG3 MET 53 -6.693 0.848 3.611
376 HE1 MET 53 HE1 MET 53 -9.496 1.219 0.786
377 HE2 MET 53 HE2 MET 53 -8.058 1.897 0.023
378 HE3 MET 53 HE3 MET 53 -9.390 2.955 0.478
379 H LEU 54 H LEU 54 -3.003 -0.442 1.959
380 HA LEU 54 HA LEU 54 -2.874 -0.468 4.909
381 HB2 LEU 54 HB2 LEU 54 -0.648 -0.745 2.836
382 HB3 LEU 54 HB3 LEU 54 -0.361 -0.545 4.554
383 HG LEU 54 HG LEU 54 -1.656 -2.751 4.905
384 HD11 LEU 54 HD11 LEU 54 -1.245 -3.017 1.919
385 HD12 LEU 54 HD12 LEU 54 -2.796 -2.882 2.753
386 HD13 LEU 54 HD13 LEU 54 -1.779 -4.298 3.009
387 HD21 LEU 54 HD21 LEU 54 0.300 -4.157 4.355
388 HD22 LEU 54 HD22 LEU 54 0.774 -2.642 5.120
389 HD23 LEU 54 HD23 LEU 54 0.965 -2.844 3.377
390 H LEU 55 H LEU 55 -2.217 1.414 5.938
391 HA LEU 55 HA LEU 55 -2.213 3.856 4.274
392 HB2 LEU 55 HB2 LEU 55 -3.960 3.709 6.010
393 HB3 LEU 55 HB3 LEU 55 -2.748 3.393 7.238
394 HG LEU 55 HG LEU 55 -1.863 5.688 7.022
395 HD11 LEU 55 HD11 LEU 55 -2.963 7.382 5.625
396 HD12 LEU 55 HD12 LEU 55 -4.013 6.141 4.937
397 HD13 LEU 55 HD13 LEU 55 -2.274 6.083 4.651
398 HD21 LEU 55 HD21 LEU 55 -3.687 5.292 8.626
399 HD22 LEU 55 HD22 LEU 55 -4.875 5.687 7.380
400 HD23 LEU 55 HD23 LEU 55 -3.761 6.926 7.963
401 H CYS 56 H CYS 56 -0.285 4.802 3.954
402 HA CYS 56 HA CYS 56 2.174 3.913 5.024
403 HB2 CYS 56 HB2 CYS 56 2.049 4.958 2.842
404 HB3 CYS 56 HB3 CYS 56 1.453 6.466 3.532
405 H ASP 57 H ASP 57 2.846 4.188 7.045
406 HA ASP 57 HA ASP 57 1.979 6.208 8.857
407 HB2 ASP 57 HB2 ASP 57 2.741 3.979 9.590
408 HB3 ASP 57 HB3 ASP 57 4.352 4.292 8.961
409 H GLY 58 H GLY 58 4.595 5.960 6.549
410 HA2 GLY 58 HA2 GLY 58 6.119 8.190 7.519
411 HA3 GLY 58 HA3 GLY 58 6.344 7.331 6.007
412 H CYS 59 H CYS 59 3.157 8.253 6.040
413 HA CYS 59 HA CYS 59 3.329 11.055 5.425
414 HB2 CYS 59 HB2 CYS 59 2.622 10.901 3.034
415 HB3 CYS 59 HB3 CYS 59 4.209 10.192 3.293
416 H ASP 60 H ASP 60 0.852 11.007 3.762
417 HA ASP 60 HA ASP 60 -1.091 10.401 5.921
418 HB2 ASP 60 HB2 ASP 60 -1.272 12.408 3.615
419 HB3 ASP 60 HB3 ASP 60 -2.523 12.146 4.820
420 H ASP 61 H ASP 61 -0.083 9.240 2.901
421 HA ASP 61 HA ASP 61 -2.716 9.055 1.664
422 HB2 ASP 61 HB2 ASP 61 -0.422 9.749 0.521
423 HB3 ASP 61 HB3 ASP 61 -0.206 8.030 0.323
424 H SER 62 H SER 62 -3.713 7.198 0.959
425 HA SER 62 HA SER 62 -2.969 4.669 2.293
426 HB2 SER 62 HB2 SER 62 -5.194 5.452 2.869
427 HB3 SER 62 HB3 SER 62 -5.622 5.669 1.173
428 HG SER 62 HG SER 62 -5.825 3.472 2.696
429 H TYR 63 H TYR 63 -2.385 2.938 1.077
430 HA TYR 63 HA TYR 63 -2.876 2.880 -1.850
431 HB2 TYR 63 HB2 TYR 63 -0.285 2.083 -0.437
432 HB3 TYR 63 HB3 TYR 63 -0.601 1.897 -2.159
433 HD1 TYR 63 HD2 TYR 63 -0.593 3.873 -3.651
434 HD2 TYR 63 HD1 TYR 63 0.285 4.292 0.513
435 HE1 TYR 63 HE2 TYR 63 0.333 6.117 -4.065
436 HE2 TYR 63 HE1 TYR 63 1.188 6.554 0.094
437 HH TYR 63 HH TYR 63 0.615 8.257 -2.637
438 H HIS 64 H HIS 64 -3.816 0.933 -2.482
439 HA HIS 64 HA HIS 64 -4.207 -1.274 -0.714
440 HB2 HIS 64 HB2 HIS 64 -4.417 -1.164 -3.747
441 HB3 HIS 64 HB3 HIS 64 -4.818 -2.590 -2.796
442 HD2 HIS 64 HD2 HIS 64 -6.814 -1.514 -0.583
443 HE1 HIS 64 HE1 HIS 64 -8.954 0.010 -3.881
444 HE2 HIS 64 HE2 HIS 64 -9.118 -0.830 -1.505
445 H THR 65 H THR 65 -3.350 -3.402 -0.928
446 HA THR 65 HA THR 65 -0.658 -3.911 -1.184
447 HB THR 65 HB THR 65 -1.353 -6.332 -1.539
448 HG1 THR 65 HG1 THR 65 -4.040 -5.453 -1.358
449 HG21 THR 65 HG21 THR 65 -1.304 -5.427 0.764
450 HG22 THR 65 HG22 THR 65 -2.611 -6.599 0.568
451 HG23 THR 65 HG23 THR 65 -2.968 -4.869 0.583
452 H PHE 66 H PHE 66 -3.171 -4.465 -3.603
453 HA PHE 66 HA PHE 66 -1.381 -5.376 -5.643
454 HB2 PHE 66 HB2 PHE 66 -3.520 -5.552 -7.015
455 HB3 PHE 66 HB3 PHE 66 -3.472 -6.492 -5.535
456 HD1 PHE 66 HD2 PHE 66 -5.030 -3.542 -7.177
457 HD2 PHE 66 HD1 PHE 66 -5.023 -6.044 -3.703
458 HE1 PHE 66 HE2 PHE 66 -7.186 -2.578 -6.468
459 HE2 PHE 66 HE1 PHE 66 -7.179 -5.078 -3.008
460 HZ PHE 66 HZ PHE 66 -8.258 -3.344 -4.384
461 H CYS 67 H CYS 67 -2.357 -2.216 -4.771
462 HA CYS 67 HA CYS 67 -2.342 -1.030 -7.397
463 HB2 CYS 67 HB2 CYS 67 -2.238 0.165 -4.606
464 HB3 CYS 67 HB3 CYS 67 -2.349 1.111 -6.091
465 H LEU 68 H LEU 68 0.099 -2.059 -5.278
466 HA LEU 68 HA LEU 68 2.113 -0.127 -6.289
467 HB2 LEU 68 HB2 LEU 68 2.157 -1.975 -3.869
468 HB3 LEU 68 HB3 LEU 68 3.480 -0.912 -4.336
469 HG LEU 68 HG LEU 68 0.696 0.109 -3.620
470 HD11 LEU 68 HD11 LEU 68 1.610 0.728 -1.447
471 HD12 LEU 68 HD12 LEU 68 3.142 -0.052 -1.847
472 HD13 LEU 68 HD13 LEU 68 1.671 -1.017 -1.692
473 HD21 LEU 68 HD21 LEU 68 1.989 1.644 -5.036
474 HD22 LEU 68 HD22 LEU 68 3.339 1.584 -3.904
475 HD23 LEU 68 HD23 LEU 68 1.802 2.298 -3.407
476 H LEU 69 H LEU 69 4.226 -0.938 -6.904
477 HA LEU 69 HA LEU 69 4.317 -3.769 -7.762
478 HB2 LEU 69 HB2 LEU 69 5.699 -1.328 -8.947
479 HB3 LEU 69 HB3 LEU 69 6.140 -2.973 -9.357
480 HG LEU 69 HG LEU 69 3.667 -3.253 -10.142
481 HD11 LEU 69 HD11 LEU 69 2.731 -1.229 -9.139
482 HD12 LEU 69 HD12 LEU 69 2.511 -1.231 -10.886
483 HD13 LEU 69 HD13 LEU 69 3.766 -0.223 -10.157
484 HD21 LEU 69 HD21 LEU 69 5.568 -3.227 -11.676
485 HD22 LEU 69 HD22 LEU 69 5.545 -1.464 -11.715
486 HD23 LEU 69 HD23 LEU 69 4.189 -2.379 -12.381
487 HA PRO 70 HA PRO 70 5.171 -5.583 -7.357
488 HB2 PRO 70 HB2 PRO 70 5.822 -7.447 -5.510
489 HB3 PRO 70 HB3 PRO 70 7.014 -6.876 -6.691
490 HG2 PRO 70 HG2 PRO 70 6.691 -6.071 -3.822
491 HG3 PRO 70 HG3 PRO 70 8.176 -6.462 -4.716
492 HD2 PRO 70 HD2 PRO 70 7.299 -3.884 -4.264
493 HD3 PRO 70 HD3 PRO 70 8.342 -4.347 -5.628
494 HA PRO 71 HA PRO 71 1.305 -5.228 -4.974
495 HB2 PRO 71 HB2 PRO 71 0.879 -8.067 -5.949
496 HB3 PRO 71 HB3 PRO 71 -0.214 -6.666 -6.043
497 HG2 PRO 71 HG2 PRO 71 1.053 -7.457 -8.220
498 HG3 PRO 71 HG3 PRO 71 0.933 -5.716 -7.863
499 HD2 PRO 71 HD2 PRO 71 3.284 -7.566 -7.456
500 HD3 PRO 71 HD3 PRO 71 3.253 -5.902 -8.091
501 H LEU 72 H LEU 72 1.118 -5.489 -2.788
502 HA LEU 72 HA LEU 72 3.001 -7.178 -1.412
503 HB2 LEU 72 HB2 LEU 72 0.849 -5.335 -0.274
504 HB3 LEU 72 HB3 LEU 72 2.176 -6.049 0.631
505 HG LEU 72 HG LEU 72 2.488 -3.999 -1.603
506 HD11 LEU 72 HD11 LEU 72 3.120 -2.408 0.159
507 HD12 LEU 72 HD12 LEU 72 2.761 -3.615 1.398
508 HD13 LEU 72 HD13 LEU 72 1.468 -2.985 0.374
509 HD21 LEU 72 HD21 LEU 72 4.854 -3.869 -0.901
510 HD22 LEU 72 HD22 LEU 72 4.433 -5.469 -1.502
511 HD23 LEU 72 HD23 LEU 72 4.591 -5.197 0.235
512 H THR 73 H THR 73 2.211 -9.241 -2.049
513 HA THR 73 HA THR 73 -0.416 -10.208 -1.623
514 HB THR 73 HB THR 73 2.147 -11.863 -1.779
515 HG1 THR 73 HG1 THR 73 1.843 -10.288 -3.532
516 HG21 THR 73 HG21 THR 73 0.706 -13.590 -2.794
517 HG22 THR 73 HG22 THR 73 -0.706 -12.552 -2.597
518 HG23 THR 73 HG23 THR 73 0.125 -13.186 -1.174
519 H SER 74 H SER 74 2.422 -10.040 0.388
520 HA SER 74 HA SER 74 0.876 -10.897 2.769
521 HB2 SER 74 HB2 SER 74 3.188 -11.148 3.826
522 HB3 SER 74 HB3 SER 74 2.836 -12.305 2.543
523 HG SER 74 HG SER 74 4.350 -9.915 2.283
524 H ILE 75 H ILE 75 0.638 -9.396 4.369
525 HA ILE 75 HA ILE 75 1.346 -6.635 4.043
526 HB ILE 75 HB ILE 75 0.264 -8.147 6.478
527 HG12 ILE 75 HG12 ILE 75 -1.208 -6.400 4.451
528 HG13 ILE 75 HG13 ILE 75 -1.233 -8.159 4.472
529 HG21 ILE 75 HG21 ILE 75 0.423 -5.136 6.068
530 HG22 ILE 75 HG22 ILE 75 1.386 -6.076 7.210
531 HG23 ILE 75 HG23 ILE 75 -0.361 -5.948 7.422
532 HD11 ILE 75 HD11 ILE 75 -3.262 -7.266 5.395
533 HD12 ILE 75 HD12 ILE 75 -2.365 -6.332 6.591
534 HD13 ILE 75 HD13 ILE 75 -2.357 -8.097 6.656
535 HA PRO 76 HA PRO 76 5.590 -7.511 5.486
536 HB2 PRO 76 HB2 PRO 76 6.522 -4.897 5.431
537 HB3 PRO 76 HB3 PRO 76 6.383 -5.925 3.994
538 HG2 PRO 76 HG2 PRO 76 4.515 -3.798 4.969
539 HG3 PRO 76 HG3 PRO 76 5.047 -4.156 3.311
540 HD2 PRO 76 HD2 PRO 76 2.625 -4.934 4.246
541 HD3 PRO 76 HD3 PRO 76 3.526 -5.898 3.055
542 H LYS 77 H LYS 77 5.270 -8.181 7.532
543 HA LYS 77 HA LYS 77 5.517 -8.295 9.749
544 HB2 LYS 77 HB2 LYS 77 7.393 -6.698 9.487
545 HB3 LYS 77 HB3 LYS 77 6.274 -5.346 9.609
546 HG2 LYS 77 HG2 LYS 77 7.488 -5.659 11.705
547 HG3 LYS 77 HG3 LYS 77 5.765 -5.966 11.940
548 HD2 LYS 77 HD2 LYS 77 6.198 -8.412 11.820
549 HD3 LYS 77 HD3 LYS 77 7.921 -8.092 11.601
550 HE2 LYS 77 HE2 LYS 77 8.028 -7.069 13.835
551 HE3 LYS 77 HE3 LYS 77 6.291 -7.305 14.040
552 HZ1 LYS 77 HZ1 LYS 77 6.618 -9.687 13.946
553 HZ2 LYS 77 HZ2 LYS 77 7.587 -9.021 15.158
554 HZ3 LYS 77 HZ3 LYS 77 8.279 -9.485 13.692
555 H GLY 78 H GLY 78 4.243 -4.976 9.567
556 HA2 GLY 78 HA2 GLY 78 1.496 -5.725 9.872
557 HA3 GLY 78 HA3 GLY 78 2.176 -5.139 11.394
558 H GLU 79 H GLU 79 3.128 -3.028 11.439
559 HA GLU 79 HA GLU 79 1.897 -0.944 9.983
560 HB2 GLU 79 HB2 GLU 79 2.942 -0.670 12.243
561 HB3 GLU 79 HB3 GLU 79 4.531 -0.921 11.528
562 HG2 GLU 79 HG2 GLU 79 4.090 1.145 10.097
563 HG3 GLU 79 HG3 GLU 79 2.659 1.430 11.088
564 H TRP 80 H TRP 80 2.753 0.356 8.291
565 HA TRP 80 HA TRP 80 4.969 -0.760 6.715
566 HB2 TRP 80 HB2 TRP 80 3.074 -1.928 5.850
567 HB3 TRP 80 HB3 TRP 80 2.055 -0.497 5.900
568 HD1 TRP 80 HD1 TRP 80 4.999 -1.955 3.812
569 HE1 TRP 80 HE1 TRP 80 4.824 -0.965 1.444
570 HE3 TRP 80 HE3 TRP 80 1.202 1.352 4.607
571 HZ2 TRP 80 HZ2 TRP 80 3.273 0.960 0.099
572 HZ3 TRP 80 HZ3 TRP 80 0.421 2.741 2.724
573 HH2 TRP 80 HH2 TRP 80 1.443 2.546 0.516
574 H LEU 81 H LEU 81 6.034 0.649 5.501
575 HA LEU 81 HA LEU 81 5.232 3.493 5.341
576 HB2 LEU 81 HB2 LEU 81 8.006 2.228 5.158
577 HB3 LEU 81 HB3 LEU 81 7.667 3.949 5.069
578 HG LEU 81 HG LEU 81 7.260 2.199 7.535
579 HD11 LEU 81 HD11 LEU 81 9.175 3.450 8.484
580 HD12 LEU 81 HD12 LEU 81 9.422 4.246 6.926
581 HD13 LEU 81 HD13 LEU 81 9.634 2.500 7.071
582 HD21 LEU 81 HD21 LEU 81 6.833 4.299 8.722
583 HD22 LEU 81 HD22 LEU 81 5.647 4.043 7.446
584 HD23 LEU 81 HD23 LEU 81 6.962 5.199 7.213
585 H CYS 82 H CYS 82 4.885 4.257 3.235
586 HA CYS 82 HA CYS 82 4.979 2.486 1.011
587 HB2 CYS 82 HB2 CYS 82 4.326 4.423 -0.355
588 HB3 CYS 82 HB3 CYS 82 3.374 4.371 1.131
589 HA PRO 83 HA PRO 83 9.274 2.525 -0.268
590 HB2 PRO 83 HB2 PRO 83 8.016 2.998 -2.996
591 HB3 PRO 83 HB3 PRO 83 9.314 1.870 -2.541
592 HG2 PRO 83 HG2 PRO 83 6.866 0.943 -2.864
593 HG3 PRO 83 HG3 PRO 83 7.840 0.382 -1.484
594 HD2 PRO 83 HD2 PRO 83 5.550 2.322 -1.510
595 HD3 PRO 83 HD3 PRO 83 6.013 1.138 -0.265
596 H ARG 84 H ARG 84 7.130 5.082 -1.402
597 HA ARG 84 HA ARG 84 8.995 6.944 -2.398
598 HB2 ARG 84 HB2 ARG 84 6.391 6.862 -2.597
599 HB3 ARG 84 HB3 ARG 84 6.375 7.691 -1.051
600 HG2 ARG 84 HG2 ARG 84 6.100 9.335 -2.773
601 HG3 ARG 84 HG3 ARG 84 7.728 9.547 -2.123
602 HD2 ARG 84 HD2 ARG 84 8.638 8.259 -4.038
603 HD3 ARG 84 HD3 ARG 84 7.003 8.064 -4.679
604 HE ARG 84 HE ARG 84 7.389 10.789 -4.410
605 HH11 ARG 84 HH11 ARG 84 8.940 8.192 -6.227
606 HH12 ARG 84 HH12 ARG 84 9.437 9.237 -7.518
607 HH21 ARG 84 HH21 ARG 84 8.054 12.138 -6.112
608 HH22 ARG 84 HH22 ARG 84 8.929 11.476 -7.451
609 H CYS 85 H CYS 85 7.498 6.642 0.839
610 HA CYS 85 HA CYS 85 8.816 8.893 2.031
611 HB2 CYS 85 HB2 CYS 85 7.392 6.530 3.331
612 HB3 CYS 85 HB3 CYS 85 7.801 8.061 4.123
613 H VAL 86 H VAL 86 9.593 5.513 1.628
614 HA VAL 86 HA VAL 86 11.568 5.232 3.687
615 HB VAL 86 HB VAL 86 11.155 3.579 1.141
616 HG11 VAL 86 HG11 VAL 86 12.329 1.742 2.313
617 HG12 VAL 86 HG12 VAL 86 12.660 2.816 3.673
618 HG13 VAL 86 HG13 VAL 86 13.387 3.141 2.099
619 HG21 VAL 86 HG21 VAL 86 10.068 3.128 3.941
620 HG22 VAL 86 HG22 VAL 86 9.860 2.034 2.569
621 HG23 VAL 86 HG23 VAL 86 9.136 3.642 2.535
622 H VAL 87 H VAL 87 11.617 6.614 0.471
623 HA VAL 87 HA VAL 87 14.367 6.340 -0.175
624 HB VAL 87 HB VAL 87 12.383 8.480 -1.078
625 HG11 VAL 87 HG11 VAL 87 15.078 7.789 -2.320
626 HG12 VAL 87 HG12 VAL 87 14.687 9.286 -1.471
627 HG13 VAL 87 HG13 VAL 87 13.886 8.901 -2.993
628 HG21 VAL 87 HG21 VAL 87 13.264 5.889 -2.384
629 HG22 VAL 87 HG22 VAL 87 12.199 7.090 -3.121
630 HG23 VAL 87 HG23 VAL 87 11.685 6.225 -1.674
631 H GLU 88 H GLU 88 12.616 8.772 1.694
632 HA GLU 88 HA GLU 88 14.529 10.824 1.772
633 HB2 GLU 88 HB2 GLU 88 12.408 10.126 3.843
634 HB3 GLU 88 HB3 GLU 88 13.337 11.620 3.838
635 HG2 GLU 88 HG2 GLU 88 12.357 12.165 1.593
636 HG3 GLU 88 HG3 GLU 88 11.354 10.724 1.724
637 H GLU 89 H GLU 89 16.273 11.271 2.995
638 HA GLU 89 HA GLU 89 18.142 11.020 4.211
639 HB2 GLU 89 HB2 GLU 89 16.185 11.265 6.020
640 HB3 GLU 89 HB3 GLU 89 16.638 9.625 6.443
641 HG2 GLU 89 HG2 GLU 89 18.387 12.101 6.573
642 HG3 GLU 89 HG3 GLU 89 17.759 11.172 7.925
643 H VAL 90 H VAL 90 19.535 9.629 3.247
644 HA VAL 90 HA VAL 90 19.119 6.813 3.009
645 HB VAL 90 HB VAL 90 21.710 8.382 2.600
646 HG11 VAL 90 HG11 VAL 90 22.146 5.974 2.860
647 HG12 VAL 90 HG12 VAL 90 22.424 6.480 1.194
648 HG13 VAL 90 HG13 VAL 90 20.950 5.606 1.612
649 HG21 VAL 90 HG21 VAL 90 19.580 7.613 0.573
650 HG22 VAL 90 HG22 VAL 90 21.120 8.391 0.200
651 HG23 VAL 90 HG23 VAL 90 19.913 9.243 1.165
652 H SER 91 H SER 91 21.663 8.621 4.878
653 HA SER 91 HA SER 91 21.537 6.962 7.182
654 HB2 SER 91 HB2 SER 91 23.773 5.765 6.855
655 HB3 SER 91 HB3 SER 91 22.468 5.188 5.819
656 HG SER 91 HG SER 91 23.431 6.873 4.290
657 H LYS 92 H LYS 92 22.560 7.938 8.879
658 HA LYS 92 HA LYS 92 24.866 9.757 8.447
659 HB2 LYS 92 HB2 LYS 92 22.593 10.195 10.456
660 HB3 LYS 92 HB3 LYS 92 24.020 11.212 10.288
661 HG2 LYS 92 HG2 LYS 92 23.279 11.919 8.056
662 HG3 LYS 92 HG3 LYS 92 21.872 10.854 8.174
663 HD2 LYS 92 HD2 LYS 92 21.061 12.157 10.131
664 HD3 LYS 92 HD3 LYS 92 22.459 13.225 9.999
665 HE2 LYS 92 HE2 LYS 92 21.682 13.947 7.762
666 HE3 LYS 92 HE3 LYS 92 20.277 12.889 7.913
667 HZ1 LYS 92 HZ1 LYS 92 19.505 14.176 9.775
668 HZ2 LYS 92 HZ2 LYS 92 19.808 15.231 8.490
669 HZ3 LYS 92 HZ3 LYS 92 20.900 15.127 9.771
670 HA PRO 93 HA PRO 93 26.606 6.949 11.630
671 HB2 PRO 93 HB2 PRO 93 28.797 8.503 12.351
672 HB3 PRO 93 HB3 PRO 93 28.750 7.489 10.897
673 HG2 PRO 93 HG2 PRO 93 28.260 10.442 11.144
674 HG3 PRO 93 HG3 PRO 93 29.204 9.558 9.922
675 HD2 PRO 93 HD2 PRO 93 26.701 10.416 9.395
676 HD3 PRO 93 HD3 PRO 93 27.304 8.871 8.748
677 H GLN 94 H GLN 94 25.312 6.884 13.425
678 HA GLN 94 HA GLN 94 25.217 9.068 15.366
679 HB2 GLN 94 HB2 GLN 94 23.535 9.745 13.677
680 HB3 GLN 94 HB3 GLN 94 22.762 8.167 13.783
681 HG2 GLN 94 HG2 GLN 94 22.194 8.669 16.176
682 HG3 GLN 94 HG3 GLN 94 22.850 10.292 15.948
683 HE21 GLN 94 HE21 GLN 94 20.108 9.441 16.635
684 HE22 GLN 94 HE22 GLN 94 19.089 10.111 15.411
Start of MODEL 18
1 H1 SER 1 H1 SER 1 -6.939 101.251 -30.854
2 H2 SER 1 H2 SER 1 -5.443 101.899 -30.416
3 H3 SER 1 H3 SER 1 -6.461 101.259 -29.234
4 HA SER 1 HA SER 1 -5.187 99.741 -31.423
5 HB2 SER 1 HB2 SER 1 -3.840 98.713 -29.547
6 HB3 SER 1 HB3 SER 1 -3.522 100.431 -29.774
7 HG SER 1 HG SER 1 -3.829 99.748 -27.552
8 H HIS 2 H HIS 2 -5.551 97.418 -31.309
9 HA HIS 2 HA HIS 2 -8.091 96.672 -30.030
10 HB2 HIS 2 HB2 HIS 2 -8.006 94.643 -31.449
11 HB3 HIS 2 HB3 HIS 2 -7.914 96.114 -32.403
12 HD2 HIS 2 HD2 HIS 2 -5.869 92.905 -31.703
13 HE1 HIS 2 HE1 HIS 2 -3.735 95.278 -34.481
14 HE2 HIS 2 HE2 HIS 2 -3.762 93.092 -33.193
15 H MET 3 H MET 3 -8.198 95.374 -28.289
16 HA MET 3 HA MET 3 -5.781 94.689 -26.853
17 HB2 MET 3 HB2 MET 3 -7.802 95.626 -25.722
18 HB3 MET 3 HB3 MET 3 -8.714 94.190 -26.154
19 HG2 MET 3 HG2 MET 3 -7.198 92.837 -24.734
20 HG3 MET 3 HG3 MET 3 -6.337 94.313 -24.282
21 HE1 MET 3 HE1 MET 3 -10.796 93.584 -23.206
22 HE2 MET 3 HE2 MET 3 -9.847 92.472 -24.188
23 HE3 MET 3 HE3 MET 3 -10.280 94.059 -24.826
24 H SER 4 H SER 4 -4.957 93.227 -28.493
25 HA SER 4 HA SER 4 -4.436 91.279 -29.464
26 HB2 SER 4 HB2 SER 4 -6.002 90.050 -27.155
27 HB3 SER 4 HB3 SER 4 -4.913 89.162 -28.227
28 HG SER 4 HG SER 4 -3.710 91.372 -27.210
29 H GLY 5 H GLY 5 -5.189 90.624 -31.384
30 HA2 GLY 5 HA2 GLY 5 -7.876 90.955 -32.215
31 HA3 GLY 5 HA3 GLY 5 -6.607 90.157 -33.127
32 H GLY 6 H GLY 6 -6.126 88.162 -31.058
33 HA2 GLY 6 HA2 GLY 6 -8.525 86.668 -30.533
34 HA3 GLY 6 HA3 GLY 6 -7.596 86.008 -31.879
35 H SER 7 H SER 7 -7.172 87.162 -28.546
36 HA SER 7 HA SER 7 -4.703 86.050 -27.919
37 HB2 SER 7 HB2 SER 7 -5.823 87.754 -26.531
38 HB3 SER 7 HB3 SER 7 -7.087 86.605 -26.094
39 HG SER 7 HG SER 7 -4.325 86.398 -25.470
40 HA PRO 8 HA PRO 8 -5.861 81.693 -28.346
41 HB2 PRO 8 HB2 PRO 8 -3.221 81.190 -26.977
42 HB3 PRO 8 HB3 PRO 8 -3.825 80.583 -28.534
43 HG2 PRO 8 HG2 PRO 8 -1.973 82.481 -28.484
44 HG3 PRO 8 HG3 PRO 8 -3.295 82.554 -29.674
45 HD2 PRO 8 HD2 PRO 8 -2.998 84.077 -27.086
46 HD3 PRO 8 HD3 PRO 8 -3.527 84.658 -28.684
47 H LEU 9 H LEU 9 -7.391 80.913 -27.047
48 HA LEU 9 HA LEU 9 -7.480 81.079 -24.194
49 HB2 LEU 9 HB2 LEU 9 -9.393 80.858 -26.011
50 HB3 LEU 9 HB3 LEU 9 -9.120 79.138 -25.872
51 HG LEU 9 HG LEU 9 -10.119 81.011 -23.678
52 HD11 LEU 9 HD11 LEU 9 -12.220 79.742 -23.855
53 HD12 LEU 9 HD12 LEU 9 -11.544 78.782 -25.171
54 HD13 LEU 9 HD13 LEU 9 -11.801 80.515 -25.385
55 HD21 LEU 9 HD21 LEU 9 -8.760 79.269 -22.626
56 HD22 LEU 9 HD22 LEU 9 -9.673 78.015 -23.468
57 HD23 LEU 9 HD23 LEU 9 -10.471 79.033 -22.265
58 H ALA 10 H ALA 10 -6.256 79.840 -22.864
59 HA ALA 10 HA ALA 10 -4.942 77.413 -23.707
60 HB1 ALA 10 HB1 ALA 10 -5.074 78.709 -20.955
61 HB2 ALA 10 HB2 ALA 10 -3.811 78.959 -22.162
62 HB3 ALA 10 HB3 ALA 10 -4.013 77.374 -21.417
63 H THR 11 H THR 11 -6.520 75.946 -24.215
64 HA THR 11 HA THR 11 -8.386 75.066 -22.087
65 HB THR 11 HB THR 11 -9.660 76.194 -23.812
66 HG1 THR 11 HG1 THR 11 -11.125 74.685 -23.866
67 HG21 THR 11 HG21 THR 11 -9.710 75.475 -26.169
68 HG22 THR 11 HG22 THR 11 -8.420 74.315 -25.853
69 HG23 THR 11 HG23 THR 11 -8.099 76.043 -25.709
70 H GLY 12 H GLY 12 -8.038 73.077 -21.421
71 HA2 GLY 12 HA2 GLY 12 -7.199 70.896 -23.174
72 HA3 GLY 12 HA3 GLY 12 -6.050 71.356 -21.917
73 H THR 13 H THR 13 -8.684 69.413 -22.625
74 HA THR 13 HA THR 13 -9.399 69.009 -19.769
75 HB THR 13 HB THR 13 -11.291 69.870 -21.128
76 HG1 THR 13 HG1 THR 13 -11.741 68.440 -19.406
77 HG21 THR 13 HG21 THR 13 -12.347 68.495 -22.872
78 HG22 THR 13 HG22 THR 13 -11.057 67.299 -22.739
79 HG23 THR 13 HG23 THR 13 -10.699 68.919 -23.341
80 H THR 14 H THR 14 -9.721 66.872 -19.071
81 HA THR 14 HA THR 14 -8.708 64.664 -20.770
82 HB THR 14 HB THR 14 -7.869 63.618 -18.607
83 HG1 THR 14 HG1 THR 14 -8.610 66.178 -17.611
84 HG21 THR 14 HG21 THR 14 -6.570 66.271 -19.360
85 HG22 THR 14 HG22 THR 14 -6.231 64.699 -20.089
86 HG23 THR 14 HG23 THR 14 -5.807 64.997 -18.403
87 H ALA 15 H ALA 15 -9.862 62.717 -20.579
88 HA ALA 15 HA ALA 15 -12.481 62.773 -19.303
89 HB1 ALA 15 HB1 ALA 15 -11.094 60.560 -20.870
90 HB2 ALA 15 HB2 ALA 15 -12.236 61.734 -21.524
91 HB3 ALA 15 HB3 ALA 15 -12.782 60.548 -20.341
92 H ASN 16 H ASN 16 -9.873 60.322 -19.210
93 HA ASN 16 HA ASN 16 -9.165 58.832 -17.666
94 HB2 ASN 16 HB2 ASN 16 -9.224 61.374 -15.979
95 HB3 ASN 16 HB3 ASN 16 -8.502 59.869 -15.411
96 HD21 ASN 16 HD21 ASN 16 -6.443 60.663 -15.254
97 HD22 ASN 16 HD22 ASN 16 -5.486 61.118 -16.617
98 H THR 17 H THR 17 -11.223 57.680 -17.830
99 HA THR 17 HA THR 17 -12.420 57.189 -15.257
100 HB THR 17 HB THR 17 -13.746 59.166 -15.970
101 HG1 THR 17 HG1 THR 17 -14.767 57.557 -14.709
102 HG21 THR 17 HG21 THR 17 -13.664 58.891 -18.427
103 HG22 THR 17 HG22 THR 17 -15.323 59.042 -17.849
104 HG23 THR 17 HG23 THR 17 -14.691 57.458 -18.305
105 H ARG 18 H ARG 18 -14.066 55.446 -15.368
106 HA ARG 18 HA ARG 18 -14.717 53.350 -15.828
107 HB2 ARG 18 HB2 ARG 18 -15.548 54.459 -17.954
108 HB3 ARG 18 HB3 ARG 18 -14.071 53.947 -18.754
109 HG2 ARG 18 HG2 ARG 18 -15.996 52.503 -19.305
110 HG3 ARG 18 HG3 ARG 18 -14.712 51.596 -18.499
111 HD2 ARG 18 HD2 ARG 18 -16.943 50.968 -17.658
112 HD3 ARG 18 HD3 ARG 18 -15.954 51.683 -16.381
113 HE ARG 18 HE ARG 18 -17.854 53.392 -17.840
114 HH11 ARG 18 HH11 ARG 18 -17.020 51.762 -14.824
115 HH12 ARG 18 HH12 ARG 18 -18.166 52.660 -13.882
116 HH21 ARG 18 HH21 ARG 18 -19.351 54.566 -16.591
117 HH22 ARG 18 HH22 ARG 18 -19.497 54.262 -14.891
118 H GLY 19 H GLY 19 -11.709 54.155 -15.603
119 HA2 GLY 19 HA2 GLY 19 -10.304 51.919 -16.844
120 HA3 GLY 19 HA3 GLY 19 -9.600 53.224 -15.905
121 H ALA 20 H ALA 20 -12.024 50.705 -15.312
122 HA ALA 20 HA ALA 20 -10.451 49.339 -13.322
123 HB1 ALA 20 HB1 ALA 20 -12.055 49.688 -11.456
124 HB2 ALA 20 HB2 ALA 20 -12.957 50.844 -12.442
125 HB3 ALA 20 HB3 ALA 20 -11.302 51.204 -11.948
126 H SER 21 H SER 21 -10.993 47.224 -13.494
127 HA SER 21 HA SER 21 -13.696 46.302 -13.629
128 HB2 SER 21 HB2 SER 21 -13.360 46.846 -16.052
129 HB3 SER 21 HB3 SER 21 -11.955 45.783 -16.086
130 HG SER 21 HG SER 21 -14.479 44.841 -15.269
131 H GLN 22 H GLN 22 -10.786 44.704 -14.970
132 HA GLN 22 HA GLN 22 -9.490 42.972 -14.369
133 HB2 GLN 22 HB2 GLN 22 -10.108 44.036 -11.597
134 HB3 GLN 22 HB3 GLN 22 -9.087 42.624 -11.820
135 HG2 GLN 22 HG2 GLN 22 -7.765 44.655 -11.487
136 HG3 GLN 22 HG3 GLN 22 -7.458 43.937 -13.063
137 HE21 GLN 22 HE21 GLN 22 -8.072 45.071 -14.917
138 HE22 GLN 22 HE22 GLN 22 -8.511 46.742 -14.877
139 H LYS 23 H LYS 23 -9.979 40.936 -14.747
140 HA LYS 23 HA LYS 23 -12.513 39.763 -14.327
141 HB2 LYS 23 HB2 LYS 23 -11.050 39.128 -16.207
142 HB3 LYS 23 HB3 LYS 23 -9.855 38.471 -15.095
143 HG2 LYS 23 HG2 LYS 23 -11.533 36.766 -14.359
144 HG3 LYS 23 HG3 LYS 23 -12.659 37.400 -15.561
145 HD2 LYS 23 HD2 LYS 23 -11.059 36.769 -17.370
146 HD3 LYS 23 HD3 LYS 23 -9.955 36.114 -16.151
147 HE2 LYS 23 HE2 LYS 23 -11.288 34.327 -17.195
148 HE3 LYS 23 HE3 LYS 23 -11.661 34.466 -15.479
149 HZ1 LYS 23 HZ1 LYS 23 -13.291 35.625 -17.675
150 HZ2 LYS 23 HZ2 LYS 23 -13.661 35.677 -16.029
151 HZ3 LYS 23 HZ3 LYS 23 -13.654 34.201 -16.848
152 H LYS 24 H LYS 24 -13.319 39.008 -12.451
153 HA LYS 24 HA LYS 24 -11.619 37.719 -10.431
154 HB2 LYS 24 HB2 LYS 24 -14.571 38.500 -10.441
155 HB3 LYS 24 HB3 LYS 24 -13.891 37.446 -9.207
156 HG2 LYS 24 HG2 LYS 24 -12.307 39.237 -8.559
157 HG3 LYS 24 HG3 LYS 24 -13.051 40.306 -9.750
158 HD2 LYS 24 HD2 LYS 24 -15.155 40.312 -8.549
159 HD3 LYS 24 HD3 LYS 24 -14.614 39.019 -7.475
160 HE2 LYS 24 HE2 LYS 24 -14.564 41.185 -6.337
161 HE3 LYS 24 HE3 LYS 24 -12.938 40.529 -6.487
162 HZ1 LYS 24 HZ1 LYS 24 -12.551 42.019 -8.342
163 HZ2 LYS 24 HZ2 LYS 24 -13.021 42.890 -6.972
164 HZ3 LYS 24 HZ3 LYS 24 -14.126 42.622 -8.221
165 H GLY 25 H GLY 25 -11.027 35.730 -11.266
166 HA2 GLY 25 HA2 GLY 25 -12.933 33.798 -12.300
167 HA3 GLY 25 HA3 GLY 25 -11.265 33.487 -11.824
168 H GLY 26 H GLY 26 -13.666 31.922 -11.180
169 HA2 GLY 26 HA2 GLY 26 -13.447 31.923 -8.235
170 HA3 GLY 26 HA3 GLY 26 -15.034 31.990 -8.991
171 H GLU 27 H GLU 27 -13.221 29.980 -7.427
172 HA GLU 27 HA GLU 27 -14.573 27.661 -8.485
173 HB2 GLU 27 HB2 GLU 27 -12.488 27.588 -9.826
174 HB3 GLU 27 HB3 GLU 27 -11.519 27.713 -8.364
175 HG2 GLU 27 HG2 GLU 27 -11.558 25.414 -9.242
176 HG3 GLU 27 HG3 GLU 27 -12.257 25.509 -7.629
177 HA PRO 28 HA PRO 28 -14.689 27.891 -3.863
178 HB2 PRO 28 HB2 PRO 28 -16.705 25.959 -3.628
179 HB3 PRO 28 HB3 PRO 28 -17.000 27.687 -3.899
180 HG2 PRO 28 HG2 PRO 28 -16.907 25.461 -5.912
181 HG3 PRO 28 HG3 PRO 28 -18.085 26.788 -5.753
182 HD2 PRO 28 HD2 PRO 28 -16.150 26.938 -7.581
183 HD3 PRO 28 HD3 PRO 28 -16.603 28.383 -6.646
184 HA PRO 29 HA PRO 29 -11.801 24.301 -3.513
185 HB2 PRO 29 HB2 PRO 29 -11.539 25.369 -0.704
186 HB3 PRO 29 HB3 PRO 29 -10.274 24.982 -1.895
187 HG2 PRO 29 HG2 PRO 29 -10.867 27.516 -1.375
188 HG3 PRO 29 HG3 PRO 29 -10.536 26.996 -3.045
189 HD2 PRO 29 HD2 PRO 29 -13.207 27.511 -1.727
190 HD3 PRO 29 HD3 PRO 29 -12.625 28.010 -3.335
191 H ALA 30 H ALA 30 -13.440 22.779 -3.691
192 HA ALA 30 HA ALA 30 -14.825 21.879 -1.218
193 HB1 ALA 30 HB1 ALA 30 -15.778 21.690 -4.109
194 HB2 ALA 30 HB2 ALA 30 -16.359 22.842 -2.906
195 HB3 ALA 30 HB3 ALA 30 -16.657 21.120 -2.687
196 H LEU 31 H LEU 31 -12.154 21.093 -2.429
197 HA LEU 31 HA LEU 31 -12.535 18.360 -3.378
198 HB2 LEU 31 HB2 LEU 31 -9.988 19.950 -2.866
199 HB3 LEU 31 HB3 LEU 31 -10.068 18.375 -3.637
200 HG LEU 31 HG LEU 31 -11.130 21.002 -4.756
201 HD11 LEU 31 HD11 LEU 31 -8.701 20.748 -4.955
202 HD12 LEU 31 HD12 LEU 31 -9.465 20.654 -6.538
203 HD13 LEU 31 HD13 LEU 31 -8.904 19.181 -5.743
204 HD21 LEU 31 HD21 LEU 31 -11.407 18.220 -5.951
205 HD22 LEU 31 HD22 LEU 31 -11.800 19.732 -6.776
206 HD23 LEU 31 HD23 LEU 31 -12.716 19.244 -5.352
207 H ILE 32 H ILE 32 -13.347 17.244 -1.691
208 HA ILE 32 HA ILE 32 -13.571 16.098 0.212
209 HB ILE 32 HB ILE 32 -10.513 15.956 0.103
210 HG12 ILE 32 HG12 ILE 32 -10.969 13.559 -0.690
211 HG13 ILE 32 HG13 ILE 32 -12.661 13.994 -0.857
212 HG21 ILE 32 HG21 ILE 32 -11.270 15.502 2.406
213 HG22 ILE 32 HG22 ILE 32 -10.660 14.028 1.657
214 HG23 ILE 32 HG23 ILE 32 -12.401 14.279 1.817
215 HD11 ILE 32 HD11 ILE 32 -10.362 15.209 -2.391
216 HD12 ILE 32 HD12 ILE 32 -12.070 15.605 -2.597
217 HD13 ILE 32 HD13 ILE 32 -11.486 13.989 -2.988
218 H VAL 33 H VAL 33 -14.517 17.918 1.231
219 HA VAL 33 HA VAL 33 -12.932 19.548 3.069
220 HB VAL 33 HB VAL 33 -15.978 19.475 2.715
221 HG11 VAL 33 HG11 VAL 33 -15.298 20.398 4.897
222 HG12 VAL 33 HG12 VAL 33 -15.964 21.664 3.867
223 HG13 VAL 33 HG13 VAL 33 -14.218 21.545 4.099
224 HG21 VAL 33 HG21 VAL 33 -15.713 21.511 1.331
225 HG22 VAL 33 HG22 VAL 33 -14.862 20.144 0.614
226 HG23 VAL 33 HG23 VAL 33 -13.954 21.392 1.469
227 H ASP 34 H ASP 34 -12.069 17.945 4.327
228 HA ASP 34 HA ASP 34 -13.482 16.753 6.479
229 HB2 ASP 34 HB2 ASP 34 -14.396 15.253 4.773
230 HB3 ASP 34 HB3 ASP 34 -12.808 14.990 4.071
231 HA PRO 35 HA PRO 35 -9.201 16.818 8.055
232 HB2 PRO 35 HB2 PRO 35 -10.217 14.396 9.574
233 HB3 PRO 35 HB3 PRO 35 -9.292 15.795 10.174
234 HG2 PRO 35 HG2 PRO 35 -11.887 15.665 10.625
235 HG3 PRO 35 HG3 PRO 35 -11.146 17.212 10.146
236 HD2 PRO 35 HD2 PRO 35 -12.811 15.326 8.502
237 HD3 PRO 35 HD3 PRO 35 -12.749 17.102 8.476
238 H LEU 36 H LEU 36 -10.069 13.337 8.101
239 HA LEU 36 HA LEU 36 -8.863 12.620 5.640
240 HB2 LEU 36 HB2 LEU 36 -6.816 13.090 7.100
241 HB3 LEU 36 HB3 LEU 36 -7.314 11.748 8.112
242 HG LEU 36 HG LEU 36 -7.110 10.243 6.070
243 HD11 LEU 36 HD11 LEU 36 -5.802 11.016 4.150
244 HD12 LEU 36 HD12 LEU 36 -5.762 12.650 4.814
245 HD13 LEU 36 HD13 LEU 36 -7.297 11.936 4.317
246 HD21 LEU 36 HD21 LEU 36 -4.589 11.633 7.003
247 HD22 LEU 36 HD22 LEU 36 -4.674 10.053 6.217
248 HD23 LEU 36 HD23 LEU 36 -5.405 10.288 7.805
249 H MET 37 H MET 37 -11.228 12.213 7.542
250 HA MET 37 HA MET 37 -11.374 9.521 8.402
251 HB2 MET 37 HB2 MET 37 -12.915 11.319 9.185
252 HB3 MET 37 HB3 MET 37 -13.645 11.402 7.590
253 HG2 MET 37 HG2 MET 37 -14.483 9.094 7.866
254 HG3 MET 37 HG3 MET 37 -13.766 9.025 9.475
255 HE1 MET 37 HE1 MET 37 -14.619 10.562 11.546
256 HE2 MET 37 HE2 MET 37 -15.900 11.761 11.393
257 HE3 MET 37 HE3 MET 37 -14.358 12.017 10.581
258 H LYS 38 H LYS 38 -11.941 11.050 5.272
259 HA LYS 38 HA LYS 38 -12.761 8.629 3.914
260 HB2 LYS 38 HB2 LYS 38 -11.920 11.392 2.966
261 HB3 LYS 38 HB3 LYS 38 -12.003 10.065 1.821
262 HG2 LYS 38 HG2 LYS 38 -14.011 11.295 1.592
263 HG3 LYS 38 HG3 LYS 38 -14.439 9.799 2.400
264 HD2 LYS 38 HD2 LYS 38 -13.913 12.253 4.064
265 HD3 LYS 38 HD3 LYS 38 -15.428 12.144 3.180
266 HE2 LYS 38 HE2 LYS 38 -16.026 10.102 4.367
267 HE3 LYS 38 HE3 LYS 38 -14.462 10.076 5.186
268 HZ1 LYS 38 HZ1 LYS 38 -16.537 12.191 5.482
269 HZ2 LYS 38 HZ2 LYS 38 -15.044 12.165 6.270
270 HZ3 LYS 38 HZ3 LYS 38 -16.198 10.979 6.610
271 H TYR 39 H TYR 39 -11.064 7.214 4.772
272 HA TYR 39 HA TYR 39 -8.377 7.488 3.676
273 HB2 TYR 39 HB2 TYR 39 -9.714 5.201 5.180
274 HB3 TYR 39 HB3 TYR 39 -8.038 5.176 4.644
275 HD1 TYR 39 HD2 TYR 39 -6.381 6.750 5.679
276 HD2 TYR 39 HD1 TYR 39 -10.363 6.394 7.206
277 HE1 TYR 39 HE2 TYR 39 -5.693 7.859 7.765
278 HE2 TYR 39 HE1 TYR 39 -9.669 7.505 9.286
279 HH TYR 39 HH TYR 39 -7.504 7.815 10.570
280 H ILE 40 H ILE 40 -8.604 7.531 1.522
281 HA ILE 40 HA ILE 40 -9.936 5.320 0.065
282 HB ILE 40 HB ILE 40 -9.142 8.129 -0.875
283 HG12 ILE 40 HG12 ILE 40 -11.064 8.208 0.685
284 HG13 ILE 40 HG13 ILE 40 -11.569 8.640 -0.943
285 HG21 ILE 40 HG21 ILE 40 -10.655 5.979 -2.406
286 HG22 ILE 40 HG22 ILE 40 -9.021 6.561 -2.744
287 HG23 ILE 40 HG23 ILE 40 -10.401 7.638 -2.952
288 HD11 ILE 40 HD11 ILE 40 -13.227 7.240 0.117
289 HD12 ILE 40 HD12 ILE 40 -12.027 5.988 0.423
290 HD13 ILE 40 HD13 ILE 40 -12.496 6.373 -1.233
291 H CYS 41 H CYS 41 -8.711 4.133 -1.437
292 HA CYS 41 HA CYS 41 -5.861 4.141 -1.311
293 HB2 CYS 41 HB2 CYS 41 -7.078 2.096 -1.878
294 HB3 CYS 41 HB3 CYS 41 -7.771 2.860 -3.311
295 H HIS 42 H HIS 42 -5.015 5.977 -1.851
296 HA HIS 42 HA HIS 42 -5.949 8.031 -3.412
297 HB2 HIS 42 HB2 HIS 42 -4.121 8.162 -1.677
298 HB3 HIS 42 HB3 HIS 42 -3.006 7.472 -2.850
299 HD1 HIS 42 HD1 HIS 42 -1.490 9.440 -3.075
300 HD2 HIS 42 HD2 HIS 42 -5.459 10.484 -3.675
301 HE1 HIS 42 HE1 HIS 42 -1.435 11.819 -3.848
302 HE2 HIS 42 HE2 HIS 42 -3.857 12.475 -4.046
303 H ILE 43 H ILE 43 -3.698 5.471 -4.463
304 HA ILE 43 HA ILE 43 -3.276 6.301 -7.115
305 HB ILE 43 HB ILE 43 -3.261 3.505 -5.902
306 HG12 ILE 43 HG12 ILE 43 -1.068 5.475 -6.691
307 HG13 ILE 43 HG13 ILE 43 -1.436 4.885 -5.076
308 HG21 ILE 43 HG21 ILE 43 -3.811 3.242 -8.293
309 HG22 ILE 43 HG22 ILE 43 -2.181 2.660 -7.971
310 HG23 ILE 43 HG23 ILE 43 -2.416 4.233 -8.736
311 HD11 ILE 43 HD11 ILE 43 -0.214 3.320 -7.343
312 HD12 ILE 43 HD12 ILE 43 -0.660 2.637 -5.778
313 HD13 ILE 43 HD13 ILE 43 0.584 3.882 -5.875
314 H CYS 44 H CYS 44 -5.958 4.338 -5.750
315 HA CYS 44 HA CYS 44 -6.965 3.700 -8.441
316 HB2 CYS 44 HB2 CYS 44 -7.920 2.822 -5.692
317 HB3 CYS 44 HB3 CYS 44 -8.465 2.159 -7.239
318 H ASN 45 H ASN 45 -7.600 5.943 -5.922
319 HA ASN 45 HA ASN 45 -9.306 7.230 -5.199
320 HB2 ASN 45 HB2 ASN 45 -8.967 8.175 -7.542
321 HB3 ASN 45 HB3 ASN 45 -10.265 7.129 -8.111
322 HD21 ASN 45 HD21 ASN 45 -11.448 8.968 -8.791
323 HD22 ASN 45 HD22 ASN 45 -12.249 10.006 -7.669
324 H ARG 46 H ARG 46 -9.587 4.447 -4.802
325 HA ARG 46 HA ARG 46 -12.506 3.970 -4.962
326 HB2 ARG 46 HB2 ARG 46 -10.283 1.905 -5.357
327 HB3 ARG 46 HB3 ARG 46 -11.994 1.519 -5.229
328 HG2 ARG 46 HG2 ARG 46 -10.758 3.187 -7.438
329 HG3 ARG 46 HG3 ARG 46 -11.130 1.469 -7.560
330 HD2 ARG 46 HD2 ARG 46 -13.519 1.958 -7.228
331 HD3 ARG 46 HD3 ARG 46 -13.149 3.682 -7.089
332 HE ARG 46 HE ARG 46 -12.085 3.046 -9.480
333 HH11 ARG 46 HH11 ARG 46 -15.304 2.502 -8.187
334 HH12 ARG 46 HH12 ARG 46 -16.069 2.565 -9.741
335 HH21 ARG 46 HH21 ARG 46 -13.107 3.134 -11.511
336 HH22 ARG 46 HH22 ARG 46 -14.827 2.923 -11.619
337 H GLY 47 H GLY 47 -13.377 3.546 -3.039
338 HA2 GLY 47 HA2 GLY 47 -11.725 2.589 -0.768
339 HA3 GLY 47 HA3 GLY 47 -13.232 3.485 -0.627
340 H ASP 48 H ASP 48 -13.046 1.061 -3.055
341 HA ASP 48 HA ASP 48 -15.341 -0.330 -2.093
342 HB2 ASP 48 HB2 ASP 48 -14.913 0.044 -4.509
343 HB3 ASP 48 HB3 ASP 48 -13.468 -0.954 -4.432
344 H VAL 49 H VAL 49 -12.165 -1.755 -3.015
345 HA VAL 49 HA VAL 49 -12.448 -3.853 -1.017
346 HB VAL 49 HB VAL 49 -10.060 -3.329 -2.858
347 HG11 VAL 49 HG11 VAL 49 -9.471 -4.737 -0.927
348 HG12 VAL 49 HG12 VAL 49 -9.467 -5.693 -2.408
349 HG13 VAL 49 HG13 VAL 49 -10.818 -5.826 -1.279
350 HG21 VAL 49 HG21 VAL 49 -12.097 -3.714 -4.189
351 HG22 VAL 49 HG22 VAL 49 -12.407 -5.214 -3.310
352 HG23 VAL 49 HG23 VAL 49 -10.980 -5.071 -4.339
353 H GLU 50 H GLU 50 -12.445 -2.706 0.876
354 HA GLU 50 HA GLU 50 -10.384 -0.824 1.623
355 HB2 GLU 50 HB2 GLU 50 -11.576 -0.744 3.786
356 HB3 GLU 50 HB3 GLU 50 -12.674 -0.540 2.429
357 HG2 GLU 50 HG2 GLU 50 -13.468 -2.841 2.659
358 HG3 GLU 50 HG3 GLU 50 -12.295 -3.151 3.938
359 H GLU 51 H GLU 51 -10.879 -4.228 1.922
360 HA GLU 51 HA GLU 51 -9.578 -4.867 4.298
361 HB2 GLU 51 HB2 GLU 51 -11.075 -6.358 2.974
362 HB3 GLU 51 HB3 GLU 51 -9.802 -6.563 1.777
363 HG2 GLU 51 HG2 GLU 51 -8.377 -7.599 3.548
364 HG3 GLU 51 HG3 GLU 51 -9.733 -7.475 4.671
365 H SER 52 H SER 52 -8.207 -4.307 1.090
366 HA SER 52 HA SER 52 -5.513 -5.157 1.970
367 HB2 SER 52 HB2 SER 52 -6.538 -4.590 -0.836
368 HB3 SER 52 HB3 SER 52 -4.974 -5.286 -0.406
369 HG SER 52 HG SER 52 -6.206 -7.024 0.574
370 H MET 53 H MET 53 -7.258 -2.441 2.076
371 HA MET 53 HA MET 53 -5.461 -0.526 0.829
372 HB2 MET 53 HB2 MET 53 -7.898 -0.086 0.872
373 HB3 MET 53 HB3 MET 53 -7.898 -0.120 2.630
374 HG2 MET 53 HG2 MET 53 -6.382 1.877 2.611
375 HG3 MET 53 HG3 MET 53 -6.566 1.951 0.857
376 HE1 MET 53 HE1 MET 53 -9.697 1.021 0.616
377 HE2 MET 53 HE2 MET 53 -8.990 2.328 -0.336
378 HE3 MET 53 HE3 MET 53 -10.472 2.605 0.576
379 H LEU 54 H LEU 54 -3.730 0.228 1.804
380 HA LEU 54 HA LEU 54 -3.332 -0.041 4.718
381 HB2 LEU 54 HB2 LEU 54 -1.282 -0.029 2.454
382 HB3 LEU 54 HB3 LEU 54 -0.889 -0.097 4.166
383 HG LEU 54 HG LEU 54 -2.353 -2.243 2.578
384 HD11 LEU 54 HD11 LEU 54 0.418 -2.269 3.823
385 HD12 LEU 54 HD12 LEU 54 0.056 -2.168 2.099
386 HD13 LEU 54 HD13 LEU 54 -0.361 -3.624 3.001
387 HD21 LEU 54 HD21 LEU 54 -3.249 -2.144 4.855
388 HD22 LEU 54 HD22 LEU 54 -1.618 -2.221 5.524
389 HD23 LEU 54 HD23 LEU 54 -2.273 -3.598 4.637
390 H LEU 55 H LEU 55 -2.630 1.694 5.815
391 HA LEU 55 HA LEU 55 -2.485 4.333 4.482
392 HB2 LEU 55 HB2 LEU 55 -4.101 3.961 6.383
393 HB3 LEU 55 HB3 LEU 55 -2.768 3.574 7.442
394 HG LEU 55 HG LEU 55 -3.797 5.867 7.774
395 HD11 LEU 55 HD11 LEU 55 -1.543 5.417 8.639
396 HD12 LEU 55 HD12 LEU 55 -1.713 7.096 8.130
397 HD13 LEU 55 HD13 LEU 55 -0.838 5.948 7.113
398 HD21 LEU 55 HD21 LEU 55 -2.488 6.575 5.125
399 HD22 LEU 55 HD22 LEU 55 -3.274 7.701 6.235
400 HD23 LEU 55 HD23 LEU 55 -4.223 6.459 5.424
401 H CYS 56 H CYS 56 -0.498 5.200 4.232
402 HA CYS 56 HA CYS 56 1.877 3.806 4.914
403 HB2 CYS 56 HB2 CYS 56 1.703 5.290 2.933
404 HB3 CYS 56 HB3 CYS 56 1.506 6.690 3.987
405 H ASP 57 H ASP 57 2.608 3.668 6.937
406 HA ASP 57 HA ASP 57 1.590 5.089 9.128
407 HB2 ASP 57 HB2 ASP 57 2.502 2.744 9.168
408 HB3 ASP 57 HB3 ASP 57 4.129 3.395 9.012
409 H GLY 58 H GLY 58 4.314 5.769 7.083
410 HA2 GLY 58 HA2 GLY 58 5.671 7.547 8.969
411 HA3 GLY 58 HA3 GLY 58 6.215 7.099 7.363
412 H CYS 59 H CYS 59 3.255 7.914 6.552
413 HA CYS 59 HA CYS 59 3.656 10.847 6.442
414 HB2 CYS 59 HB2 CYS 59 3.744 10.940 4.017
415 HB3 CYS 59 HB3 CYS 59 4.993 9.811 4.550
416 H ASP 60 H ASP 60 1.834 11.365 4.307
417 HA ASP 60 HA ASP 60 -0.723 10.275 5.257
418 HB2 ASP 60 HB2 ASP 60 -0.464 12.692 5.708
419 HB3 ASP 60 HB3 ASP 60 -0.011 12.987 4.037
420 H ASP 61 H ASP 61 -0.874 8.549 3.827
421 HA ASP 61 HA ASP 61 -1.995 9.064 1.297
422 HB2 ASP 61 HB2 ASP 61 0.693 9.158 0.953
423 HB3 ASP 61 HB3 ASP 61 0.518 7.418 0.893
424 H SER 62 H SER 62 -2.704 7.001 0.252
425 HA SER 62 HA SER 62 -2.526 4.593 1.930
426 HB2 SER 62 HB2 SER 62 -5.167 5.834 1.035
427 HB3 SER 62 HB3 SER 62 -5.008 4.210 1.707
428 HG SER 62 HG SER 62 -3.768 5.901 3.332
429 H TYR 63 H TYR 63 -2.283 2.795 0.792
430 HA TYR 63 HA TYR 63 -2.676 2.747 -2.151
431 HB2 TYR 63 HB2 TYR 63 -0.277 1.588 -0.629
432 HB3 TYR 63 HB3 TYR 63 -0.536 1.502 -2.365
433 HD1 TYR 63 HD1 TYR 63 0.151 3.912 0.432
434 HD2 TYR 63 HD2 TYR 63 0.344 3.223 -3.775
435 HE1 TYR 63 HE1 TYR 63 1.510 5.935 0.161
436 HE2 TYR 63 HE2 TYR 63 1.706 5.245 -4.045
437 HH TYR 63 HH TYR 63 2.024 7.415 -2.755
438 H HIS 64 H HIS 64 -3.674 0.799 -2.817
439 HA HIS 64 HA HIS 64 -4.227 -1.342 -0.955
440 HB2 HIS 64 HB2 HIS 64 -4.302 -1.386 -4.000
441 HB3 HIS 64 HB3 HIS 64 -4.816 -2.720 -2.992
442 HD2 HIS 64 HD2 HIS 64 -6.821 -1.316 -0.961
443 HE1 HIS 64 HE1 HIS 64 -8.719 0.079 -4.469
444 HE2 HIS 64 HE2 HIS 64 -9.053 -0.591 -2.050
445 H THR 65 H THR 65 -3.273 -3.430 -0.960
446 HA THR 65 HA THR 65 -0.504 -3.726 -1.277
447 HB THR 65 HB THR 65 -0.997 -6.211 -1.138
448 HG1 THR 65 HG1 THR 65 -3.136 -6.888 -1.092
449 HG21 THR 65 HG21 THR 65 -2.522 -4.489 0.861
450 HG22 THR 65 HG22 THR 65 -0.805 -4.884 0.944
451 HG23 THR 65 HG23 THR 65 -2.009 -6.160 1.121
452 H PHE 66 H PHE 66 -3.190 -4.452 -3.442
453 HA PHE 66 HA PHE 66 -1.476 -5.418 -5.602
454 HB2 PHE 66 HB2 PHE 66 -3.647 -5.957 -6.727
455 HB3 PHE 66 HB3 PHE 66 -3.436 -6.732 -5.168
456 HD1 PHE 66 HD1 PHE 66 -4.885 -6.121 -3.246
457 HD2 PHE 66 HD2 PHE 66 -5.390 -4.242 -7.044
458 HE1 PHE 66 HE1 PHE 66 -7.101 -5.308 -2.561
459 HE2 PHE 66 HE2 PHE 66 -7.599 -3.428 -6.348
460 HZ PHE 66 HZ PHE 66 -8.459 -3.961 -4.105
461 H CYS 67 H CYS 67 -2.146 -2.352 -4.657
462 HA CYS 67 HA CYS 67 -2.512 -1.132 -7.267
463 HB2 CYS 67 HB2 CYS 67 -1.628 0.006 -4.589
464 HB3 CYS 67 HB3 CYS 67 -1.696 0.985 -6.061
465 H LEU 68 H LEU 68 0.168 -1.837 -5.129
466 HA LEU 68 HA LEU 68 2.211 -0.725 -6.862
467 HB2 LEU 68 HB2 LEU 68 2.502 -2.430 -4.357
468 HB3 LEU 68 HB3 LEU 68 3.743 -1.421 -5.088
469 HG LEU 68 HG LEU 68 1.214 -0.443 -3.699
470 HD11 LEU 68 HD11 LEU 68 2.887 -1.283 -2.134
471 HD12 LEU 68 HD12 LEU 68 2.736 0.467 -2.005
472 HD13 LEU 68 HD13 LEU 68 4.115 -0.237 -2.853
473 HD21 LEU 68 HD21 LEU 68 2.103 1.841 -3.992
474 HD22 LEU 68 HD22 LEU 68 1.744 1.072 -5.536
475 HD23 LEU 68 HD23 LEU 68 3.416 1.202 -4.984
476 H LEU 69 H LEU 69 3.506 -1.922 -8.265
477 HA LEU 69 HA LEU 69 3.293 -4.863 -8.173
478 HB2 LEU 69 HB2 LEU 69 3.924 -4.644 -10.752
479 HB3 LEU 69 HB3 LEU 69 2.274 -4.629 -10.182
480 HG LEU 69 HG LEU 69 2.265 -2.125 -10.350
481 HD11 LEU 69 HD11 LEU 69 3.956 -0.961 -11.665
482 HD12 LEU 69 HD12 LEU 69 4.925 -2.432 -11.764
483 HD13 LEU 69 HD13 LEU 69 4.661 -1.651 -10.203
484 HD21 LEU 69 HD21 LEU 69 2.852 -3.647 -12.912
485 HD22 LEU 69 HD22 LEU 69 2.012 -2.096 -12.802
486 HD23 LEU 69 HD23 LEU 69 1.292 -3.538 -12.091
487 HA PRO 70 HA PRO 70 4.454 -6.822 -8.535
488 HB2 PRO 70 HB2 PRO 70 6.012 -8.215 -6.719
489 HB3 PRO 70 HB3 PRO 70 6.409 -8.082 -8.442
490 HG2 PRO 70 HG2 PRO 70 7.479 -6.485 -6.140
491 HG3 PRO 70 HG3 PRO 70 8.354 -7.229 -7.498
492 HD2 PRO 70 HD2 PRO 70 7.768 -4.595 -7.482
493 HD3 PRO 70 HD3 PRO 70 7.758 -5.537 -8.990
494 HA PRO 71 HA PRO 71 1.744 -5.708 -5.164
495 HB2 PRO 71 HB2 PRO 71 0.848 -8.590 -5.176
496 HB3 PRO 71 HB3 PRO 71 -0.106 -7.105 -5.400
497 HG2 PRO 71 HG2 PRO 71 0.433 -8.653 -7.479
498 HG3 PRO 71 HG3 PRO 71 0.505 -6.882 -7.640
499 HD2 PRO 71 HD2 PRO 71 2.780 -8.841 -7.319
500 HD3 PRO 71 HD3 PRO 71 2.634 -7.448 -8.418
501 H LEU 72 H LEU 72 1.490 -5.832 -2.945
502 HA LEU 72 HA LEU 72 3.693 -6.811 -1.416
503 HB2 LEU 72 HB2 LEU 72 1.019 -5.725 -0.439
504 HB3 LEU 72 HB3 LEU 72 2.494 -5.843 0.508
505 HG LEU 72 HG LEU 72 2.106 -4.032 -1.913
506 HD11 LEU 72 HD11 LEU 72 0.764 -3.263 -0.008
507 HD12 LEU 72 HD12 LEU 72 2.099 -2.159 -0.326
508 HD13 LEU 72 HD13 LEU 72 2.193 -3.286 1.029
509 HD21 LEU 72 HD21 LEU 72 4.444 -4.709 -1.705
510 HD22 LEU 72 HD22 LEU 72 4.462 -4.220 -0.010
511 HD23 LEU 72 HD23 LEU 72 4.257 -3.008 -1.278
512 H THR 73 H THR 73 3.932 -8.779 -0.558
513 HA THR 73 HA THR 73 2.184 -10.880 -1.264
514 HB THR 73 HB THR 73 4.467 -11.089 0.747
515 HG1 THR 73 HG1 THR 73 4.501 -10.608 -2.017
516 HG21 THR 73 HG21 THR 73 4.757 -13.353 -0.169
517 HG22 THR 73 HG22 THR 73 3.428 -13.101 -1.301
518 HG23 THR 73 HG23 THR 73 3.110 -13.165 0.435
519 H SER 74 H SER 74 2.804 -9.249 1.820
520 HA SER 74 HA SER 74 0.278 -10.254 2.895
521 HB2 SER 74 HB2 SER 74 2.958 -10.591 4.311
522 HB3 SER 74 HB3 SER 74 1.391 -10.816 5.092
523 HG SER 74 HG SER 74 1.075 -12.368 3.198
524 H ILE 75 H ILE 75 -0.650 -8.941 4.416
525 HA ILE 75 HA ILE 75 0.110 -6.155 4.523
526 HB ILE 75 HB ILE 75 -2.183 -7.726 5.788
527 HG12 ILE 75 HG12 ILE 75 -2.092 -5.676 3.523
528 HG13 ILE 75 HG13 ILE 75 -2.340 -7.409 3.342
529 HG21 ILE 75 HG21 ILE 75 -3.173 -5.559 6.517
530 HG22 ILE 75 HG22 ILE 75 -1.697 -4.731 6.021
531 HG23 ILE 75 HG23 ILE 75 -1.646 -5.899 7.337
532 HD11 ILE 75 HD11 ILE 75 -4.406 -6.257 3.060
533 HD12 ILE 75 HD12 ILE 75 -4.224 -5.429 4.604
534 HD13 ILE 75 HD13 ILE 75 -4.480 -7.177 4.562
535 HA PRO 76 HA PRO 76 2.454 -6.910 8.398
536 HB2 PRO 76 HB2 PRO 76 3.587 -4.222 8.132
537 HB3 PRO 76 HB3 PRO 76 4.370 -5.770 7.772
538 HG2 PRO 76 HG2 PRO 76 3.757 -3.918 5.853
539 HG3 PRO 76 HG3 PRO 76 3.890 -5.662 5.531
540 HD2 PRO 76 HD2 PRO 76 1.398 -4.022 6.028
541 HD3 PRO 76 HD3 PRO 76 1.720 -5.243 4.766
542 H LYS 77 H LYS 77 -0.247 -6.251 8.630
543 HA LYS 77 HA LYS 77 -1.868 -5.340 9.858
544 HB2 LYS 77 HB2 LYS 77 0.415 -4.621 11.725
545 HB3 LYS 77 HB3 LYS 77 -1.270 -4.372 12.146
546 HG2 LYS 77 HG2 LYS 77 0.067 -7.039 11.595
547 HG3 LYS 77 HG3 LYS 77 -0.388 -6.412 13.178
548 HD2 LYS 77 HD2 LYS 77 -2.327 -7.091 10.933
549 HD3 LYS 77 HD3 LYS 77 -1.988 -8.112 12.327
550 HE2 LYS 77 HE2 LYS 77 -2.910 -6.382 13.827
551 HE3 LYS 77 HE3 LYS 77 -3.225 -5.338 12.439
552 HZ1 LYS 77 HZ1 LYS 77 -4.469 -7.993 12.947
553 HZ2 LYS 77 HZ2 LYS 77 -4.751 -7.034 11.584
554 HZ3 LYS 77 HZ3 LYS 77 -5.222 -6.487 13.113
555 H GLY 78 H GLY 78 0.558 -2.838 10.596
556 HA2 GLY 78 HA2 GLY 78 -0.569 -0.908 8.761
557 HA3 GLY 78 HA3 GLY 78 -0.831 -0.541 10.468
558 H GLU 79 H GLU 79 1.919 -2.342 10.122
559 HA GLU 79 HA GLU 79 3.712 -0.148 10.747
560 HB2 GLU 79 HB2 GLU 79 4.115 -3.179 10.627
561 HB3 GLU 79 HB3 GLU 79 5.285 -2.026 11.264
562 HG2 GLU 79 HG2 GLU 79 3.727 -1.422 13.075
563 HG3 GLU 79 HG3 GLU 79 2.524 -2.532 12.418
564 H TRP 80 H TRP 80 2.868 0.143 8.144
565 HA TRP 80 HA TRP 80 4.920 -1.042 6.389
566 HB2 TRP 80 HB2 TRP 80 2.750 -2.100 5.945
567 HB3 TRP 80 HB3 TRP 80 1.954 -0.532 5.861
568 HD1 TRP 80 HD1 TRP 80 4.388 -2.743 3.804
569 HE1 TRP 80 HE1 TRP 80 4.348 -1.912 1.369
570 HE3 TRP 80 HE3 TRP 80 1.433 1.374 4.415
571 HZ2 TRP 80 HZ2 TRP 80 3.197 0.201 -0.098
572 HZ3 TRP 80 HZ3 TRP 80 0.898 2.756 2.436
573 HH2 TRP 80 HH2 TRP 80 1.773 2.170 0.229
574 H LEU 81 H LEU 81 6.077 0.415 5.365
575 HA LEU 81 HA LEU 81 5.223 3.235 5.130
576 HB2 LEU 81 HB2 LEU 81 8.006 2.009 4.878
577 HB3 LEU 81 HB3 LEU 81 7.635 3.723 4.752
578 HG LEU 81 HG LEU 81 7.393 2.000 7.250
579 HD11 LEU 81 HD11 LEU 81 9.261 4.325 6.664
580 HD12 LEU 81 HD12 LEU 81 9.716 2.619 6.703
581 HD13 LEU 81 HD13 LEU 81 9.164 3.414 8.175
582 HD21 LEU 81 HD21 LEU 81 5.561 3.632 7.192
583 HD22 LEU 81 HD22 LEU 81 6.718 4.942 6.936
584 HD23 LEU 81 HD23 LEU 81 6.734 4.031 8.446
585 H CYS 82 H CYS 82 4.942 4.103 3.141
586 HA CYS 82 HA CYS 82 4.972 2.531 0.754
587 HB2 CYS 82 HB2 CYS 82 4.411 4.660 -0.359
588 HB3 CYS 82 HB3 CYS 82 3.427 4.438 1.076
589 HA PRO 83 HA PRO 83 9.253 2.975 -0.468
590 HB2 PRO 83 HB2 PRO 83 9.075 3.374 -3.208
591 HB3 PRO 83 HB3 PRO 83 8.819 1.802 -2.422
592 HG2 PRO 83 HG2 PRO 83 6.761 3.816 -3.295
593 HG3 PRO 83 HG3 PRO 83 6.800 2.056 -3.557
594 HD2 PRO 83 HD2 PRO 83 5.299 3.089 -1.605
595 HD3 PRO 83 HD3 PRO 83 6.196 1.574 -1.346
596 H ARG 84 H ARG 84 7.002 5.509 -1.154
597 HA ARG 84 HA ARG 84 8.703 7.620 -1.930
598 HB2 ARG 84 HB2 ARG 84 6.024 7.677 -0.468
599 HB3 ARG 84 HB3 ARG 84 6.866 9.134 -0.977
600 HG2 ARG 84 HG2 ARG 84 5.081 8.648 -2.528
601 HG3 ARG 84 HG3 ARG 84 6.628 8.427 -3.344
602 HD2 ARG 84 HD2 ARG 84 6.416 6.034 -3.259
603 HD3 ARG 84 HD3 ARG 84 5.024 6.134 -2.173
604 HE ARG 84 HE ARG 84 3.961 7.375 -4.162
605 HH11 ARG 84 HH11 ARG 84 6.116 4.618 -4.496
606 HH12 ARG 84 HH12 ARG 84 5.410 4.101 -5.992
607 HH21 ARG 84 HH21 ARG 84 3.056 6.699 -6.095
608 HH22 ARG 84 HH22 ARG 84 3.672 5.283 -6.898
609 H CYS 85 H CYS 85 7.392 6.693 1.269
610 HA CYS 85 HA CYS 85 8.597 8.665 2.856
611 HB2 CYS 85 HB2 CYS 85 7.745 5.841 3.621
612 HB3 CYS 85 HB3 CYS 85 8.225 7.064 4.787
613 H VAL 86 H VAL 86 9.786 5.537 1.838
614 HA VAL 86 HA VAL 86 12.064 5.327 3.490
615 HB VAL 86 HB VAL 86 11.650 4.114 0.717
616 HG11 VAL 86 HG11 VAL 86 13.997 3.955 1.451
617 HG12 VAL 86 HG12 VAL 86 13.241 2.364 1.427
618 HG13 VAL 86 HG13 VAL 86 13.490 3.196 2.963
619 HG21 VAL 86 HG21 VAL 86 9.773 3.547 2.206
620 HG22 VAL 86 HG22 VAL 86 10.901 2.940 3.422
621 HG23 VAL 86 HG23 VAL 86 10.758 2.124 1.864
622 H VAL 87 H VAL 87 11.599 6.763 0.253
623 HA VAL 87 HA VAL 87 14.477 7.321 -0.009
624 HB VAL 87 HB VAL 87 14.026 7.881 -2.355
625 HG11 VAL 87 HG11 VAL 87 13.350 5.645 -3.155
626 HG12 VAL 87 HG12 VAL 87 12.731 5.247 -1.550
627 HG13 VAL 87 HG13 VAL 87 14.458 5.530 -1.785
628 HG21 VAL 87 HG21 VAL 87 11.095 7.311 -1.761
629 HG22 VAL 87 HG22 VAL 87 11.778 7.610 -3.362
630 HG23 VAL 87 HG23 VAL 87 11.788 8.887 -2.146
631 H GLU 88 H GLU 88 11.589 9.076 0.817
632 HA GLU 88 HA GLU 88 12.664 11.679 -0.009
633 HB2 GLU 88 HB2 GLU 88 10.561 12.664 0.628
634 HB3 GLU 88 HB3 GLU 88 10.196 11.179 -0.241
635 HG2 GLU 88 HG2 GLU 88 9.780 10.034 1.925
636 HG3 GLU 88 HG3 GLU 88 10.127 11.538 2.769
637 H GLU 89 H GLU 89 12.020 9.879 2.943
638 HA GLU 89 HA GLU 89 13.090 11.992 4.656
639 HB2 GLU 89 HB2 GLU 89 12.089 9.197 5.372
640 HB3 GLU 89 HB3 GLU 89 12.632 10.404 6.532
641 HG2 GLU 89 HG2 GLU 89 10.760 11.903 5.702
642 HG3 GLU 89 HG3 GLU 89 10.183 10.527 4.762
643 H VAL 90 H VAL 90 15.244 12.199 4.505
644 HA VAL 90 HA VAL 90 17.038 9.892 4.337
645 HB VAL 90 HB VAL 90 17.716 12.878 4.584
646 HG11 VAL 90 HG11 VAL 90 19.467 10.528 3.767
647 HG12 VAL 90 HG12 VAL 90 19.569 11.426 5.283
648 HG13 VAL 90 HG13 VAL 90 19.952 12.225 3.759
649 HG21 VAL 90 HG21 VAL 90 18.102 12.834 2.136
650 HG22 VAL 90 HG22 VAL 90 16.426 12.448 2.527
651 HG23 VAL 90 HG23 VAL 90 17.543 11.160 2.072
652 H SER 91 H SER 91 16.786 8.824 6.270
653 HA SER 91 HA SER 91 16.322 9.951 8.800
654 HB2 SER 91 HB2 SER 91 15.778 7.603 8.189
655 HB3 SER 91 HB3 SER 91 17.495 7.218 8.117
656 HG SER 91 HG SER 91 16.658 8.366 10.488
657 H LYS 92 H LYS 92 19.322 8.402 7.627
658 HA LYS 92 HA LYS 92 20.942 10.348 9.160
659 HB2 LYS 92 HB2 LYS 92 21.573 7.397 8.652
660 HB3 LYS 92 HB3 LYS 92 22.769 8.559 9.197
661 HG2 LYS 92 HG2 LYS 92 22.131 7.434 11.156
662 HG3 LYS 92 HG3 LYS 92 21.251 8.958 11.234
663 HD2 LYS 92 HD2 LYS 92 19.774 7.162 11.938
664 HD3 LYS 92 HD3 LYS 92 19.209 7.776 10.385
665 HE2 LYS 92 HE2 LYS 92 19.070 5.355 10.365
666 HE3 LYS 92 HE3 LYS 92 20.364 5.839 9.269
667 HZ1 LYS 92 HZ1 LYS 92 21.044 3.984 10.613
668 HZ2 LYS 92 HZ2 LYS 92 20.697 4.818 12.040
669 HZ3 LYS 92 HZ3 LYS 92 21.958 5.336 11.045
670 HA PRO 93 HA PRO 93 21.932 11.428 4.904
671 HB2 PRO 93 HB2 PRO 93 23.771 13.407 5.389
672 HB3 PRO 93 HB3 PRO 93 22.031 13.624 5.648
673 HG2 PRO 93 HG2 PRO 93 24.166 12.992 7.656
674 HG3 PRO 93 HG3 PRO 93 22.828 14.158 7.766
675 HD2 PRO 93 HD2 PRO 93 22.716 11.708 8.938
676 HD3 PRO 93 HD3 PRO 93 21.267 12.519 8.304
677 H GLN 94 H GLN 94 22.924 9.620 4.059
678 HA GLN 94 HA GLN 94 25.713 9.884 3.449
679 HB2 GLN 94 HB2 GLN 94 25.698 8.639 5.703
680 HB3 GLN 94 HB3 GLN 94 24.931 7.295 4.884
681 HG2 GLN 94 HG2 GLN 94 27.622 8.377 4.004
682 HG3 GLN 94 HG3 GLN 94 27.478 7.201 5.300
683 HE21 GLN 94 HE21 GLN 94 27.244 7.705 1.867
684 HE22 GLN 94 HE22 GLN 94 27.144 6.042 1.422
Start of MODEL 19
1 H1 SER 1 H1 SER 1 -33.928 40.253 -88.166
2 H2 SER 1 H2 SER 1 -32.872 40.687 -89.411
3 H3 SER 1 H3 SER 1 -34.402 41.400 -89.311
4 HA SER 1 HA SER 1 -32.708 42.908 -88.562
5 HB2 SER 1 HB2 SER 1 -33.746 43.384 -86.292
6 HB3 SER 1 HB3 SER 1 -34.920 43.137 -87.584
7 HG SER 1 HG SER 1 -34.291 41.488 -85.399
8 H HIS 2 H HIS 2 -30.971 43.393 -87.184
9 HA HIS 2 HA HIS 2 -29.272 41.224 -86.451
10 HB2 HIS 2 HB2 HIS 2 -27.726 43.017 -85.614
11 HB3 HIS 2 HB3 HIS 2 -28.267 43.280 -87.265
12 HD2 HIS 2 HD2 HIS 2 -27.822 45.266 -84.131
13 HE1 HIS 2 HE1 HIS 2 -30.893 47.223 -86.280
14 HE2 HIS 2 HE2 HIS 2 -29.464 47.268 -84.200
15 H MET 3 H MET 3 -29.855 39.961 -84.802
16 HA MET 3 HA MET 3 -31.248 40.778 -82.451
17 HB2 MET 3 HB2 MET 3 -31.364 38.456 -83.266
18 HB3 MET 3 HB3 MET 3 -29.633 38.256 -83.039
19 HG2 MET 3 HG2 MET 3 -29.929 38.465 -80.598
20 HG3 MET 3 HG3 MET 3 -31.664 38.686 -80.828
21 HE1 MET 3 HE1 MET 3 -28.640 36.160 -81.233
22 HE2 MET 3 HE2 MET 3 -29.329 36.183 -82.858
23 HE3 MET 3 HE3 MET 3 -29.472 34.739 -81.856
24 H SER 4 H SER 4 -30.187 42.440 -81.449
25 HA SER 4 HA SER 4 -27.380 42.474 -80.879
26 HB2 SER 4 HB2 SER 4 -28.009 44.534 -79.506
27 HB3 SER 4 HB3 SER 4 -28.508 44.607 -81.196
28 HG SER 4 HG SER 4 -30.167 43.848 -79.017
29 H GLY 5 H GLY 5 -26.992 40.559 -79.785
30 HA2 GLY 5 HA2 GLY 5 -28.398 39.853 -77.321
31 HA3 GLY 5 HA3 GLY 5 -27.166 38.918 -78.157
32 H GLY 6 H GLY 6 -27.493 42.057 -76.459
33 HA2 GLY 6 HA2 GLY 6 -24.833 42.160 -75.436
34 HA3 GLY 6 HA3 GLY 6 -26.220 43.055 -74.823
35 H SER 7 H SER 7 -27.364 42.280 -73.061
36 HA SER 7 HA SER 7 -27.495 39.632 -72.174
37 HB2 SER 7 HB2 SER 7 -26.177 39.856 -69.992
38 HB3 SER 7 HB3 SER 7 -25.176 39.773 -71.441
39 HG SER 7 HG SER 7 -25.349 42.213 -71.293
40 HA PRO 8 HA PRO 8 -30.865 42.139 -70.162
41 HB2 PRO 8 HB2 PRO 8 -32.464 39.855 -69.799
42 HB3 PRO 8 HB3 PRO 8 -32.532 40.899 -71.232
43 HG2 PRO 8 HG2 PRO 8 -31.082 38.296 -70.867
44 HG3 PRO 8 HG3 PRO 8 -32.017 38.875 -72.267
45 HD2 PRO 8 HD2 PRO 8 -29.326 38.948 -72.274
46 HD3 PRO 8 HD3 PRO 8 -30.272 40.247 -73.035
47 H LEU 9 H LEU 9 -30.691 42.498 -67.997
48 HA LEU 9 HA LEU 9 -28.953 40.877 -66.368
49 HB2 LEU 9 HB2 LEU 9 -30.557 43.366 -65.632
50 HB3 LEU 9 HB3 LEU 9 -29.401 42.574 -64.578
51 HG LEU 9 HG LEU 9 -27.621 43.085 -66.389
52 HD11 LEU 9 HD11 LEU 9 -29.745 44.989 -67.400
53 HD12 LEU 9 HD12 LEU 9 -29.085 43.594 -68.257
54 HD13 LEU 9 HD13 LEU 9 -28.048 44.970 -67.893
55 HD21 LEU 9 HD21 LEU 9 -28.862 45.421 -64.902
56 HD22 LEU 9 HD22 LEU 9 -27.218 45.348 -65.542
57 HD23 LEU 9 HD23 LEU 9 -27.705 44.261 -64.244
58 H ALA 10 H ALA 10 -30.269 38.949 -66.520
59 HA ALA 10 HA ALA 10 -32.837 38.744 -65.216
60 HB1 ALA 10 HB1 ALA 10 -32.645 36.322 -65.709
61 HB2 ALA 10 HB2 ALA 10 -30.975 36.555 -66.233
62 HB3 ALA 10 HB3 ALA 10 -32.294 37.295 -67.142
63 H THR 11 H THR 11 -32.313 39.604 -63.182
64 HA THR 11 HA THR 11 -30.103 38.689 -61.624
65 HB THR 11 HB THR 11 -32.409 40.481 -60.754
66 HG1 THR 11 HG1 THR 11 -30.336 40.924 -62.497
67 HG21 THR 11 HG21 THR 11 -29.569 40.224 -59.688
68 HG22 THR 11 HG22 THR 11 -31.037 39.697 -58.856
69 HG23 THR 11 HG23 THR 11 -30.762 41.413 -59.160
70 H GLY 12 H GLY 12 -30.505 36.461 -61.389
71 HA2 GLY 12 HA2 GLY 12 -32.636 35.461 -59.736
72 HA3 GLY 12 HA3 GLY 12 -31.148 34.620 -60.163
73 H THR 13 H THR 13 -32.721 35.426 -57.536
74 HA THR 13 HA THR 13 -30.942 37.066 -56.025
75 HB THR 13 HB THR 13 -32.352 36.258 -54.038
76 HG1 THR 13 HG1 THR 13 -32.963 34.238 -55.094
77 HG21 THR 13 HG21 THR 13 -33.859 37.418 -56.414
78 HG22 THR 13 HG22 THR 13 -32.903 38.347 -55.256
79 HG23 THR 13 HG23 THR 13 -34.364 37.513 -54.723
80 H THR 14 H THR 14 -28.928 36.131 -56.287
81 HA THR 14 HA THR 14 -28.355 33.621 -54.817
82 HB THR 14 HB THR 14 -26.802 34.817 -57.163
83 HG1 THR 14 HG1 THR 14 -29.011 33.190 -57.084
84 HG21 THR 14 HG21 THR 14 -25.367 33.444 -55.685
85 HG22 THR 14 HG22 THR 14 -25.633 32.633 -57.227
86 HG23 THR 14 HG23 THR 14 -26.520 32.106 -55.797
87 H ALA 15 H ALA 15 -28.019 34.631 -52.844
88 HA ALA 15 HA ALA 15 -25.478 35.842 -52.317
89 HB1 ALA 15 HB1 ALA 15 -26.644 37.876 -53.125
90 HB2 ALA 15 HB2 ALA 15 -26.308 37.993 -51.398
91 HB3 ALA 15 HB3 ALA 15 -27.940 37.612 -51.956
92 H ASN 16 H ASN 16 -25.226 34.208 -50.783
93 HA ASN 16 HA ASN 16 -27.209 33.881 -48.647
94 HB2 ASN 16 HB2 ASN 16 -25.847 31.960 -47.891
95 HB3 ASN 16 HB3 ASN 16 -26.266 31.811 -49.588
96 HD21 ASN 16 HD21 ASN 16 -24.608 32.114 -51.157
97 HD22 ASN 16 HD22 ASN 16 -22.946 31.936 -50.735
98 H THR 17 H THR 17 -27.126 35.167 -46.949
99 HA THR 17 HA THR 17 -24.801 36.795 -46.335
100 HB THR 17 HB THR 17 -27.547 36.744 -45.004
101 HG1 THR 17 HG1 THR 17 -26.682 37.697 -47.407
102 HG21 THR 17 HG21 THR 17 -25.849 37.829 -43.564
103 HG22 THR 17 HG22 THR 17 -26.956 39.030 -44.231
104 HG23 THR 17 HG23 THR 17 -25.342 38.851 -44.917
105 H ARG 18 H ARG 18 -23.258 35.697 -45.322
106 HA ARG 18 HA ARG 18 -23.762 33.758 -43.190
107 HB2 ARG 18 HB2 ARG 18 -21.142 34.730 -44.429
108 HB3 ARG 18 HB3 ARG 18 -21.328 33.352 -43.341
109 HG2 ARG 18 HG2 ARG 18 -22.610 32.126 -44.998
110 HG3 ARG 18 HG3 ARG 18 -22.658 33.526 -46.071
111 HD2 ARG 18 HD2 ARG 18 -21.014 31.885 -46.849
112 HD3 ARG 18 HD3 ARG 18 -20.216 33.388 -46.370
113 HE ARG 18 HE ARG 18 -20.297 31.495 -44.228
114 HH11 ARG 18 HH11 ARG 18 -18.492 32.263 -47.160
115 HH12 ARG 18 HH12 ARG 18 -17.053 31.474 -46.615
116 HH21 ARG 18 HH21 ARG 18 -18.426 30.446 -43.552
117 HH22 ARG 18 HH22 ARG 18 -17.021 30.439 -44.558
118 H GLY 19 H GLY 19 -23.118 34.077 -41.030
119 HA2 GLY 19 HA2 GLY 19 -21.589 36.144 -39.951
120 HA3 GLY 19 HA3 GLY 19 -23.251 36.730 -40.003
121 H ALA 20 H ALA 20 -21.197 34.112 -38.808
122 HA ALA 20 HA ALA 20 -22.667 33.995 -36.301
123 HB1 ALA 20 HB1 ALA 20 -22.488 31.519 -38.072
124 HB2 ALA 20 HB2 ALA 20 -23.960 32.422 -37.709
125 HB3 ALA 20 HB3 ALA 20 -23.110 31.569 -36.419
126 H SER 21 H SER 21 -20.729 34.765 -35.466
127 HA SER 21 HA SER 21 -18.745 32.792 -34.757
128 HB2 SER 21 HB2 SER 21 -16.806 34.226 -35.597
129 HB3 SER 21 HB3 SER 21 -17.747 33.438 -36.863
130 HG SER 21 HG SER 21 -18.235 36.104 -36.019
131 H GLN 22 H GLN 22 -18.511 33.108 -32.661
132 HA GLN 22 HA GLN 22 -17.820 35.714 -31.556
133 HB2 GLN 22 HB2 GLN 22 -19.406 35.467 -29.632
134 HB3 GLN 22 HB3 GLN 22 -20.234 35.699 -31.167
135 HG2 GLN 22 HG2 GLN 22 -20.737 33.292 -31.280
136 HG3 GLN 22 HG3 GLN 22 -19.872 33.031 -29.769
137 HE21 GLN 22 HE21 GLN 22 -20.930 35.413 -28.439
138 HE22 GLN 22 HE22 GLN 22 -22.584 35.070 -28.090
139 H LYS 23 H LYS 23 -16.563 35.525 -29.638
140 HA LYS 23 HA LYS 23 -15.141 32.992 -29.444
141 HB2 LYS 23 HB2 LYS 23 -13.936 35.205 -29.585
142 HB3 LYS 23 HB3 LYS 23 -14.592 35.622 -28.004
143 HG2 LYS 23 HG2 LYS 23 -13.396 33.749 -26.971
144 HG3 LYS 23 HG3 LYS 23 -12.787 33.238 -28.550
145 HD2 LYS 23 HD2 LYS 23 -11.543 35.408 -28.734
146 HD3 LYS 23 HD3 LYS 23 -12.113 35.849 -27.119
147 HE2 LYS 23 HE2 LYS 23 -10.967 33.845 -26.201
148 HE3 LYS 23 HE3 LYS 23 -10.358 33.471 -27.815
149 HZ1 LYS 23 HZ1 LYS 23 -8.719 34.619 -26.462
150 HZ2 LYS 23 HZ2 LYS 23 -9.764 35.940 -26.281
151 HZ3 LYS 23 HZ3 LYS 23 -9.153 35.550 -27.806
152 H LYS 24 H LYS 24 -16.395 31.557 -28.330
153 HA LYS 24 HA LYS 24 -16.976 32.132 -25.483
154 HB2 LYS 24 HB2 LYS 24 -18.770 30.579 -27.398
155 HB3 LYS 24 HB3 LYS 24 -18.994 30.667 -25.653
156 HG2 LYS 24 HG2 LYS 24 -19.170 33.219 -25.964
157 HG3 LYS 24 HG3 LYS 24 -19.317 32.882 -27.691
158 HD2 LYS 24 HD2 LYS 24 -21.542 33.128 -26.737
159 HD3 LYS 24 HD3 LYS 24 -21.314 31.440 -27.201
160 HE2 LYS 24 HE2 LYS 24 -20.835 30.864 -24.841
161 HE3 LYS 24 HE3 LYS 24 -21.040 32.557 -24.386
162 HZ1 LYS 24 HZ1 LYS 24 -23.347 32.415 -25.173
163 HZ2 LYS 24 HZ2 LYS 24 -23.034 31.332 -23.912
164 HZ3 LYS 24 HZ3 LYS 24 -23.135 30.771 -25.503
165 H GLY 25 H GLY 25 -15.463 30.993 -24.470
166 HA2 GLY 25 HA2 GLY 25 -15.398 28.388 -23.897
167 HA3 GLY 25 HA3 GLY 25 -14.513 28.398 -25.423
168 H GLY 26 H GLY 26 -14.610 30.454 -22.496
169 HA2 GLY 26 HA2 GLY 26 -11.669 30.194 -22.216
170 HA3 GLY 26 HA3 GLY 26 -12.409 31.788 -22.299
171 H GLU 27 H GLU 27 -12.660 28.712 -20.559
172 HA GLU 27 HA GLU 27 -12.822 28.132 -18.398
173 HB2 GLU 27 HB2 GLU 27 -11.023 29.694 -17.885
174 HB3 GLU 27 HB3 GLU 27 -12.156 31.038 -17.829
175 HG2 GLU 27 HG2 GLU 27 -13.269 29.894 -15.849
176 HG3 GLU 27 HG3 GLU 27 -11.931 28.741 -15.858
177 HA PRO 28 HA PRO 28 -17.038 29.451 -17.144
178 HB2 PRO 28 HB2 PRO 28 -17.661 26.706 -16.493
179 HB3 PRO 28 HB3 PRO 28 -18.257 27.630 -17.882
180 HG2 PRO 28 HG2 PRO 28 -16.554 25.430 -18.053
181 HG3 PRO 28 HG3 PRO 28 -16.788 26.641 -19.330
182 HD2 PRO 28 HD2 PRO 28 -14.569 26.434 -17.304
183 HD3 PRO 28 HD3 PRO 28 -14.496 26.903 -19.019
184 HA PRO 29 HA PRO 29 -14.592 29.352 -13.233
185 HB2 PRO 29 HB2 PRO 29 -15.706 31.568 -12.034
186 HB3 PRO 29 HB3 PRO 29 -14.505 31.680 -13.340
187 HG2 PRO 29 HG2 PRO 29 -17.499 31.911 -13.519
188 HG3 PRO 29 HG3 PRO 29 -16.249 32.920 -14.285
189 HD2 PRO 29 HD2 PRO 29 -17.538 30.953 -15.643
190 HD3 PRO 29 HD3 PRO 29 -15.845 31.373 -15.979
191 H ALA 30 H ALA 30 -15.569 27.366 -12.687
192 HA ALA 30 HA ALA 30 -16.971 27.242 -10.236
193 HB1 ALA 30 HB1 ALA 30 -18.963 27.765 -11.619
194 HB2 ALA 30 HB2 ALA 30 -19.068 26.119 -10.996
195 HB3 ALA 30 HB3 ALA 30 -18.608 26.400 -12.679
196 H LEU 31 H LEU 31 -14.627 26.208 -11.804
197 HA LEU 31 HA LEU 31 -15.015 23.289 -11.502
198 HB2 LEU 31 HB2 LEU 31 -14.934 24.017 -13.922
199 HB3 LEU 31 HB3 LEU 31 -13.330 24.668 -13.636
200 HG LEU 31 HG LEU 31 -12.565 22.309 -13.045
201 HD11 LEU 31 HD11 LEU 31 -13.923 20.406 -13.750
202 HD12 LEU 31 HD12 LEU 31 -15.268 21.487 -14.128
203 HD13 LEU 31 HD13 LEU 31 -14.701 21.322 -12.463
204 HD21 LEU 31 HD21 LEU 31 -12.076 23.289 -15.232
205 HD22 LEU 31 HD22 LEU 31 -13.612 22.690 -15.868
206 HD23 LEU 31 HD23 LEU 31 -12.357 21.554 -15.361
207 H ILE 32 H ILE 32 -14.229 23.766 -9.324
208 HA ILE 32 HA ILE 32 -11.499 22.919 -9.183
209 HB ILE 32 HB ILE 32 -10.970 25.282 -9.142
210 HG12 ILE 32 HG12 ILE 32 -10.807 24.159 -6.304
211 HG13 ILE 32 HG13 ILE 32 -9.672 23.835 -7.606
212 HG21 ILE 32 HG21 ILE 32 -11.866 26.900 -7.518
213 HG22 ILE 32 HG22 ILE 32 -12.940 25.660 -6.866
214 HG23 ILE 32 HG23 ILE 32 -13.150 26.224 -8.526
215 HD11 ILE 32 HD11 ILE 32 -10.133 26.507 -6.281
216 HD12 ILE 32 HD12 ILE 32 -9.012 26.193 -7.612
217 HD13 ILE 32 HD13 ILE 32 -8.760 25.426 -6.045
218 H VAL 33 H VAL 33 -11.617 21.248 -7.892
219 HA VAL 33 HA VAL 33 -12.327 21.351 -5.164
220 HB VAL 33 HB VAL 33 -14.677 21.212 -6.084
221 HG11 VAL 33 HG11 VAL 33 -13.870 18.483 -7.135
222 HG12 VAL 33 HG12 VAL 33 -14.245 19.909 -8.104
223 HG13 VAL 33 HG13 VAL 33 -15.507 19.146 -7.134
224 HG21 VAL 33 HG21 VAL 33 -15.475 19.397 -4.590
225 HG22 VAL 33 HG22 VAL 33 -14.224 20.378 -3.825
226 HG23 VAL 33 HG23 VAL 33 -13.823 18.782 -4.460
227 H ASP 34 H ASP 34 -11.574 19.451 -4.065
228 HA ASP 34 HA ASP 34 -10.247 17.393 -5.739
229 HB2 ASP 34 HB2 ASP 34 -9.598 18.404 -2.935
230 HB3 ASP 34 HB3 ASP 34 -8.933 16.901 -3.571
231 HA PRO 35 HA PRO 35 -13.451 14.639 -3.998
232 HB2 PRO 35 HB2 PRO 35 -11.921 12.442 -5.307
233 HB3 PRO 35 HB3 PRO 35 -13.575 13.002 -5.630
234 HG2 PRO 35 HG2 PRO 35 -11.593 13.433 -7.396
235 HG3 PRO 35 HG3 PRO 35 -12.884 14.633 -7.146
236 HD2 PRO 35 HD2 PRO 35 -10.084 14.614 -6.000
237 HD3 PRO 35 HD3 PRO 35 -10.974 15.950 -6.775
238 H LEU 36 H LEU 36 -10.236 14.890 -3.167
239 HA LEU 36 HA LEU 36 -9.812 12.715 -1.406
240 HB2 LEU 36 HB2 LEU 36 -8.631 15.521 -1.271
241 HB3 LEU 36 HB3 LEU 36 -7.988 14.094 -0.474
242 HG LEU 36 HG LEU 36 -8.066 14.594 -3.479
243 HD11 LEU 36 HD11 LEU 36 -5.698 14.521 -1.585
244 HD12 LEU 36 HD12 LEU 36 -6.398 15.958 -2.336
245 HD13 LEU 36 HD13 LEU 36 -5.632 14.730 -3.338
246 HD21 LEU 36 HD21 LEU 36 -8.378 12.210 -3.039
247 HD22 LEU 36 HD22 LEU 36 -6.956 12.184 -1.995
248 HD23 LEU 36 HD23 LEU 36 -6.782 12.503 -3.724
249 H MET 37 H MET 37 -11.820 12.547 -0.355
250 HA MET 37 HA MET 37 -11.868 14.016 2.209
251 HB2 MET 37 HB2 MET 37 -13.695 14.904 0.689
252 HB3 MET 37 HB3 MET 37 -14.385 13.291 0.613
253 HG2 MET 37 HG2 MET 37 -14.834 13.374 3.044
254 HG3 MET 37 HG3 MET 37 -14.121 14.983 3.123
255 HE1 MET 37 HE1 MET 37 -15.210 16.428 0.511
256 HE2 MET 37 HE2 MET 37 -15.263 17.172 2.109
257 HE3 MET 37 HE3 MET 37 -16.713 17.129 1.112
258 H LYS 38 H LYS 38 -11.143 11.328 0.779
259 HA LYS 38 HA LYS 38 -12.158 9.450 2.824
260 HB2 LYS 38 HB2 LYS 38 -11.974 8.970 -0.192
261 HB3 LYS 38 HB3 LYS 38 -12.353 7.734 0.996
262 HG2 LYS 38 HG2 LYS 38 -14.449 8.846 1.557
263 HG3 LYS 38 HG3 LYS 38 -14.059 10.187 0.474
264 HD2 LYS 38 HD2 LYS 38 -14.111 8.614 -1.464
265 HD3 LYS 38 HD3 LYS 38 -14.541 7.296 -0.370
266 HE2 LYS 38 HE2 LYS 38 -16.636 8.456 0.206
267 HE3 LYS 38 HE3 LYS 38 -16.200 9.790 -0.864
268 HZ1 LYS 38 HZ1 LYS 38 -16.710 6.982 -1.687
269 HZ2 LYS 38 HZ2 LYS 38 -16.216 8.227 -2.720
270 HZ3 LYS 38 HZ3 LYS 38 -17.720 8.313 -1.958
271 H TYR 39 H TYR 39 -10.760 7.301 2.508
272 HA TYR 39 HA TYR 39 -8.025 7.870 2.918
273 HB2 TYR 39 HB2 TYR 39 -9.466 5.252 2.351
274 HB3 TYR 39 HB3 TYR 39 -7.755 5.337 2.755
275 HD1 TYR 39 HD1 TYR 39 -11.187 6.034 4.104
276 HD2 TYR 39 HD2 TYR 39 -7.050 5.492 5.036
277 HE1 TYR 39 HE1 TYR 39 -11.743 5.898 6.498
278 HE2 TYR 39 HE2 TYR 39 -7.608 5.364 7.425
279 HH TYR 39 HH TYR 39 -9.368 6.077 8.943
280 H ILE 40 H ILE 40 -9.516 6.024 0.303
281 HA ILE 40 HA ILE 40 -9.229 5.814 -1.914
282 HB ILE 40 HB ILE 40 -7.818 8.511 -1.760
283 HG12 ILE 40 HG12 ILE 40 -10.746 7.930 -2.415
284 HG13 ILE 40 HG13 ILE 40 -10.163 8.501 -0.861
285 HG21 ILE 40 HG21 ILE 40 -8.370 8.786 -4.161
286 HG22 ILE 40 HG22 ILE 40 -8.984 7.131 -4.203
287 HG23 ILE 40 HG23 ILE 40 -7.273 7.432 -3.888
288 HD11 ILE 40 HD11 ILE 40 -9.973 10.048 -3.457
289 HD12 ILE 40 HD12 ILE 40 -9.449 10.602 -1.863
290 HD13 ILE 40 HD13 ILE 40 -11.155 10.299 -2.172
291 H CYS 41 H CYS 41 -7.962 4.132 -2.412
292 HA CYS 41 HA CYS 41 -5.108 4.069 -2.343
293 HB2 CYS 41 HB2 CYS 41 -6.323 1.971 -2.152
294 HB3 CYS 41 HB3 CYS 41 -7.239 2.289 -3.617
295 H HIS 42 H HIS 42 -4.509 5.869 -3.388
296 HA HIS 42 HA HIS 42 -5.499 7.306 -5.443
297 HB2 HIS 42 HB2 HIS 42 -3.514 8.020 -4.179
298 HB3 HIS 42 HB3 HIS 42 -2.521 6.833 -5.017
299 HD1 HIS 42 HD1 HIS 42 -1.884 7.360 -7.501
300 HD2 HIS 42 HD2 HIS 42 -4.044 10.368 -5.618
301 HE1 HIS 42 HE1 HIS 42 -1.665 9.381 -8.973
302 HE2 HIS 42 HE2 HIS 42 -2.786 11.219 -7.690
303 H ILE 43 H ILE 43 -3.382 4.500 -5.900
304 HA ILE 43 HA ILE 43 -3.019 4.530 -8.657
305 HB ILE 43 HB ILE 43 -3.104 2.206 -6.688
306 HG12 ILE 43 HG12 ILE 43 -0.751 3.681 -7.977
307 HG13 ILE 43 HG13 ILE 43 -1.324 3.925 -6.334
308 HG21 ILE 43 HG21 ILE 43 -2.156 2.106 -9.573
309 HG22 ILE 43 HG22 ILE 43 -3.568 1.279 -8.914
310 HG23 ILE 43 HG23 ILE 43 -1.952 0.818 -8.382
311 HD11 ILE 43 HD11 ILE 43 -0.699 1.596 -5.802
312 HD12 ILE 43 HD12 ILE 43 0.663 2.585 -6.320
313 HD13 ILE 43 HD13 ILE 43 -0.052 1.420 -7.436
314 H CYS 44 H CYS 44 -5.661 2.876 -6.809
315 HA CYS 44 HA CYS 44 -6.935 2.130 -9.406
316 HB2 CYS 44 HB2 CYS 44 -8.269 0.522 -8.002
317 HB3 CYS 44 HB3 CYS 44 -6.527 0.230 -7.945
318 H ASN 45 H ASN 45 -7.064 4.562 -7.222
319 HA ASN 45 HA ASN 45 -8.433 6.271 -6.726
320 HB2 ASN 45 HB2 ASN 45 -9.981 5.242 -9.138
321 HB3 ASN 45 HB3 ASN 45 -10.325 6.771 -8.338
322 HD21 ASN 45 HD21 ASN 45 -7.913 5.012 -10.200
323 HD22 ASN 45 HD22 ASN 45 -7.071 6.407 -10.767
324 H ARG 46 H ARG 46 -9.135 3.338 -5.793
325 HA ARG 46 HA ARG 46 -11.956 3.507 -5.136
326 HB2 ARG 46 HB2 ARG 46 -9.843 1.489 -4.273
327 HB3 ARG 46 HB3 ARG 46 -11.569 1.334 -3.966
328 HG2 ARG 46 HG2 ARG 46 -10.243 1.322 -6.700
329 HG3 ARG 46 HG3 ARG 46 -10.830 -0.091 -5.820
330 HD2 ARG 46 HD2 ARG 46 -13.142 0.842 -5.933
331 HD3 ARG 46 HD3 ARG 46 -12.519 2.192 -6.893
332 HE ARG 46 HE ARG 46 -11.968 -0.475 -7.917
333 HH11 ARG 46 HH11 ARG 46 -14.096 2.330 -8.119
334 HH12 ARG 46 HH12 ARG 46 -14.715 1.883 -9.673
335 HH21 ARG 46 HH21 ARG 46 -12.816 -1.053 -9.923
336 HH22 ARG 46 HH22 ARG 46 -13.988 -0.036 -10.694
337 H GLY 47 H GLY 47 -12.545 4.843 -3.558
338 HA2 GLY 47 HA2 GLY 47 -11.113 4.835 -0.945
339 HA3 GLY 47 HA3 GLY 47 -12.105 6.173 -1.537
340 H ASP 48 H ASP 48 -12.242 2.755 -0.466
341 HA ASP 48 HA ASP 48 -14.968 2.707 0.182
342 HB2 ASP 48 HB2 ASP 48 -15.337 3.032 -2.237
343 HB3 ASP 48 HB3 ASP 48 -14.256 1.696 -2.614
344 H VAL 49 H VAL 49 -12.275 0.869 -1.262
345 HA VAL 49 HA VAL 49 -12.803 -1.447 0.486
346 HB VAL 49 HB VAL 49 -10.693 -1.270 -1.727
347 HG11 VAL 49 HG11 VAL 49 -10.729 -3.747 -1.614
348 HG12 VAL 49 HG12 VAL 49 -11.895 -3.674 -0.292
349 HG13 VAL 49 HG13 VAL 49 -10.267 -3.030 -0.068
350 HG21 VAL 49 HG21 VAL 49 -13.517 -2.388 -1.966
351 HG22 VAL 49 HG22 VAL 49 -12.253 -2.490 -3.197
352 HG23 VAL 49 HG23 VAL 49 -12.913 -0.918 -2.740
353 H GLU 50 H GLU 50 -12.168 -0.117 2.367
354 HA GLU 50 HA GLU 50 -9.346 0.443 2.774
355 HB2 GLU 50 HB2 GLU 50 -11.754 0.587 4.621
356 HB3 GLU 50 HB3 GLU 50 -10.117 0.835 5.212
357 HG2 GLU 50 HG2 GLU 50 -11.189 2.981 4.792
358 HG3 GLU 50 HG3 GLU 50 -9.829 2.748 3.695
359 H GLU 51 H GLU 51 -11.448 -2.249 3.160
360 HA GLU 51 HA GLU 51 -10.268 -3.838 5.070
361 HB2 GLU 51 HB2 GLU 51 -12.391 -4.276 3.882
362 HB3 GLU 51 HB3 GLU 51 -11.507 -4.636 2.403
363 HG2 GLU 51 HG2 GLU 51 -10.492 -6.610 3.488
364 HG3 GLU 51 HG3 GLU 51 -11.361 -6.237 4.979
365 H SER 52 H SER 52 -9.225 -3.395 1.706
366 HA SER 52 HA SER 52 -6.847 -5.110 2.124
367 HB2 SER 52 HB2 SER 52 -8.221 -5.585 0.116
368 HB3 SER 52 HB3 SER 52 -7.992 -3.930 -0.451
369 HG SER 52 HG SER 52 -6.133 -6.047 -0.308
370 H MET 53 H MET 53 -7.530 -1.985 2.714
371 HA MET 53 HA MET 53 -5.227 -0.776 1.317
372 HB2 MET 53 HB2 MET 53 -7.455 0.278 0.983
373 HB3 MET 53 HB3 MET 53 -7.574 0.583 2.708
374 HG2 MET 53 HG2 MET 53 -5.574 2.058 2.548
375 HG3 MET 53 HG3 MET 53 -5.546 1.790 0.804
376 HE1 MET 53 HE1 MET 53 -8.887 1.735 0.376
377 HE2 MET 53 HE2 MET 53 -7.729 2.426 -0.762
378 HE3 MET 53 HE3 MET 53 -9.066 3.404 -0.165
379 H LEU 54 H LEU 54 -3.545 -0.054 2.393
380 HA LEU 54 HA LEU 54 -3.348 -0.334 5.319
381 HB2 LEU 54 HB2 LEU 54 -1.160 -0.311 3.179
382 HB3 LEU 54 HB3 LEU 54 -0.848 -0.336 4.906
383 HG LEU 54 HG LEU 54 -2.071 -2.582 5.001
384 HD11 LEU 54 HD11 LEU 54 -2.296 -3.882 2.944
385 HD12 LEU 54 HD12 LEU 54 -1.824 -2.474 1.988
386 HD13 LEU 54 HD13 LEU 54 -3.324 -2.452 2.918
387 HD21 LEU 54 HD21 LEU 54 0.462 -2.458 3.339
388 HD22 LEU 54 HD22 LEU 54 -0.134 -3.869 4.215
389 HD23 LEU 54 HD23 LEU 54 0.366 -2.431 5.101
390 H LEU 55 H LEU 55 -2.334 1.317 6.519
391 HA LEU 55 HA LEU 55 -2.261 3.980 5.261
392 HB2 LEU 55 HB2 LEU 55 -2.954 3.018 8.001
393 HB3 LEU 55 HB3 LEU 55 -1.963 4.465 7.984
394 HG LEU 55 HG LEU 55 -4.321 5.069 8.104
395 HD11 LEU 55 HD11 LEU 55 -3.130 5.770 5.390
396 HD12 LEU 55 HD12 LEU 55 -2.809 6.591 6.920
397 HD13 LEU 55 HD13 LEU 55 -4.426 6.647 6.219
398 HD21 LEU 55 HD21 LEU 55 -5.918 4.559 6.319
399 HD22 LEU 55 HD22 LEU 55 -5.295 3.076 7.031
400 HD23 LEU 55 HD23 LEU 55 -4.701 3.611 5.458
401 H CYS 56 H CYS 56 -0.445 5.140 5.134
402 HA CYS 56 HA CYS 56 2.098 3.906 5.654
403 HB2 CYS 56 HB2 CYS 56 1.624 5.207 3.582
404 HB3 CYS 56 HB3 CYS 56 1.440 6.676 4.553
405 H ASP 57 H ASP 57 3.406 4.304 7.385
406 HA ASP 57 HA ASP 57 2.499 5.982 9.541
407 HB2 ASP 57 HB2 ASP 57 3.632 3.879 10.045
408 HB3 ASP 57 HB3 ASP 57 5.073 4.397 9.175
409 H GLY 58 H GLY 58 5.247 6.096 7.265
410 HA2 GLY 58 HA2 GLY 58 6.615 8.270 8.482
411 HA3 GLY 58 HA3 GLY 58 6.928 7.596 6.896
412 H CYS 59 H CYS 59 3.962 8.204 6.343
413 HA CYS 59 HA CYS 59 3.601 11.009 6.310
414 HB2 CYS 59 HB2 CYS 59 3.709 11.267 3.740
415 HB3 CYS 59 HB3 CYS 59 5.250 11.182 4.581
416 H ASP 60 H ASP 60 1.699 11.445 4.433
417 HA ASP 60 HA ASP 60 -0.432 9.708 5.453
418 HB2 ASP 60 HB2 ASP 60 -0.690 12.144 5.843
419 HB3 ASP 60 HB3 ASP 60 -0.544 12.450 4.110
420 H ASP 61 H ASP 61 -0.205 7.957 4.101
421 HA ASP 61 HA ASP 61 -1.217 8.314 1.336
422 HB2 ASP 61 HB2 ASP 61 0.856 6.163 1.962
423 HB3 ASP 61 HB3 ASP 61 0.342 6.752 0.398
424 H SER 62 H SER 62 -2.555 6.633 0.637
425 HA SER 62 HA SER 62 -3.069 4.344 2.426
426 HB2 SER 62 HB2 SER 62 -5.274 6.085 1.194
427 HB3 SER 62 HB3 SER 62 -5.506 4.642 2.180
428 HG SER 62 HG SER 62 -4.001 6.173 3.633
429 H TYR 63 H TYR 63 -2.913 2.532 1.242
430 HA TYR 63 HA TYR 63 -3.601 2.441 -1.615
431 HB2 TYR 63 HB2 TYR 63 -0.771 1.971 -0.563
432 HB3 TYR 63 HB3 TYR 63 -1.318 1.387 -2.126
433 HD1 TYR 63 HD2 TYR 63 -1.920 3.047 -3.935
434 HD2 TYR 63 HD1 TYR 63 -0.079 4.281 -0.288
435 HE1 TYR 63 HE2 TYR 63 -1.206 5.147 -4.992
436 HE2 TYR 63 HE1 TYR 63 0.637 6.375 -1.345
437 HH TYR 63 HH TYR 63 1.092 7.240 -3.569
438 H HIS 64 H HIS 64 -4.033 0.373 -2.347
439 HA HIS 64 HA HIS 64 -4.516 -1.743 -0.442
440 HB2 HIS 64 HB2 HIS 64 -4.657 -1.800 -3.486
441 HB3 HIS 64 HB3 HIS 64 -5.221 -3.079 -2.429
442 HD2 HIS 64 HD2 HIS 64 -7.049 -1.327 -0.383
443 HE1 HIS 64 HE1 HIS 64 -9.057 -0.231 -3.907
444 HE2 HIS 64 HE2 HIS 64 -9.145 -0.224 -1.401
445 H THR 65 H THR 65 -3.538 -3.834 -0.478
446 HA THR 65 HA THR 65 -0.777 -4.105 -0.893
447 HB THR 65 HB THR 65 -1.357 -6.672 -0.885
448 HG1 THR 65 HG1 THR 65 -3.402 -7.165 -0.943
449 HG21 THR 65 HG21 THR 65 -2.255 -4.976 1.463
450 HG22 THR 65 HG22 THR 65 -0.594 -5.473 1.136
451 HG23 THR 65 HG23 THR 65 -1.821 -6.681 1.524
452 H PHE 66 H PHE 66 -3.495 -5.185 -2.910
453 HA PHE 66 HA PHE 66 -1.860 -6.426 -4.904
454 HB2 PHE 66 HB2 PHE 66 -3.998 -6.848 -6.105
455 HB3 PHE 66 HB3 PHE 66 -4.099 -7.325 -4.421
456 HD1 PHE 66 HD2 PHE 66 -5.302 -4.890 -6.947
457 HD2 PHE 66 HD1 PHE 66 -5.641 -6.194 -2.881
458 HE1 PHE 66 HE2 PHE 66 -7.375 -3.591 -6.691
459 HE2 PHE 66 HE1 PHE 66 -7.719 -4.895 -2.656
460 HZ PHE 66 HZ PHE 66 -8.591 -3.593 -4.542
461 H CYS 67 H CYS 67 -2.715 -3.138 -4.408
462 HA CYS 67 HA CYS 67 -2.815 -2.416 -7.255
463 HB2 CYS 67 HB2 CYS 67 -3.102 -0.746 -4.721
464 HB3 CYS 67 HB3 CYS 67 -3.134 -0.050 -6.347
465 H LEU 68 H LEU 68 -0.489 -2.598 -4.754
466 HA LEU 68 HA LEU 68 1.261 -0.461 -5.677
467 HB2 LEU 68 HB2 LEU 68 1.377 -2.448 -3.393
468 HB3 LEU 68 HB3 LEU 68 2.730 -1.381 -3.738
469 HG LEU 68 HG LEU 68 -0.074 -0.340 -3.170
470 HD11 LEU 68 HD11 LEU 68 0.650 0.167 -0.894
471 HD12 LEU 68 HD12 LEU 68 2.179 -0.675 -1.175
472 HD13 LEU 68 HD13 LEU 68 0.654 -1.565 -1.212
473 HD21 LEU 68 HD21 LEU 68 1.386 1.213 -4.405
474 HD22 LEU 68 HD22 LEU 68 2.619 1.085 -3.144
475 HD23 LEU 68 HD23 LEU 68 1.047 1.802 -2.781
476 H LEU 69 H LEU 69 1.048 -2.226 -7.794
477 HA LEU 69 HA LEU 69 2.775 -4.430 -7.893
478 HB2 LEU 69 HB2 LEU 69 1.732 -2.724 -10.166
479 HB3 LEU 69 HB3 LEU 69 2.751 -4.127 -10.433
480 HG LEU 69 HG LEU 69 0.932 -5.459 -9.086
481 HD11 LEU 69 HD11 LEU 69 -0.765 -3.088 -9.879
482 HD12 LEU 69 HD12 LEU 69 -0.307 -3.539 -8.234
483 HD13 LEU 69 HD13 LEU 69 -1.334 -4.610 -9.185
484 HD21 LEU 69 HD21 LEU 69 0.265 -4.481 -11.878
485 HD22 LEU 69 HD22 LEU 69 -0.349 -5.940 -11.096
486 HD23 LEU 69 HD23 LEU 69 1.364 -5.804 -11.475
487 HA PRO 70 HA PRO 70 4.680 -5.756 -8.462
488 HB2 PRO 70 HB2 PRO 70 6.881 -6.235 -6.870
489 HB3 PRO 70 HB3 PRO 70 7.005 -5.969 -8.622
490 HG2 PRO 70 HG2 PRO 70 7.440 -4.000 -6.385
491 HG3 PRO 70 HG3 PRO 70 8.438 -4.297 -7.828
492 HD2 PRO 70 HD2 PRO 70 6.703 -2.219 -7.717
493 HD3 PRO 70 HD3 PRO 70 7.011 -3.096 -9.236
494 HA PRO 71 HA PRO 71 2.151 -4.872 -4.925
495 HB2 PRO 71 HB2 PRO 71 0.505 -7.039 -4.913
496 HB3 PRO 71 HB3 PRO 71 0.514 -5.878 -6.260
497 HG2 PRO 71 HG2 PRO 71 1.853 -8.566 -6.094
498 HG3 PRO 71 HG3 PRO 71 0.916 -7.860 -7.431
499 HD2 PRO 71 HD2 PRO 71 3.664 -7.849 -7.346
500 HD3 PRO 71 HD3 PRO 71 2.712 -6.626 -8.214
501 H LEU 72 H LEU 72 1.544 -5.471 -2.775
502 HA LEU 72 HA LEU 72 3.575 -6.866 -1.265
503 HB2 LEU 72 HB2 LEU 72 0.923 -5.694 -0.308
504 HB3 LEU 72 HB3 LEU 72 2.266 -6.165 0.720
505 HG LEU 72 HG LEU 72 2.365 -3.871 -1.288
506 HD11 LEU 72 HD11 LEU 72 2.186 -2.360 0.648
507 HD12 LEU 72 HD12 LEU 72 1.901 -3.741 1.708
508 HD13 LEU 72 HD13 LEU 72 0.741 -3.345 0.437
509 HD21 LEU 72 HD21 LEU 72 4.309 -4.609 0.932
510 HD22 LEU 72 HD22 LEU 72 4.426 -3.202 -0.130
511 HD23 LEU 72 HD23 LEU 72 4.576 -4.823 -0.799
512 H THR 73 H THR 73 3.290 -8.992 -2.239
513 HA THR 73 HA THR 73 0.929 -10.511 -2.234
514 HB THR 73 HB THR 73 2.848 -11.136 -3.600
515 HG1 THR 73 HG1 THR 73 1.312 -12.793 -2.426
516 HG21 THR 73 HG21 THR 73 4.702 -10.577 -2.078
517 HG22 THR 73 HG22 THR 73 4.846 -12.234 -2.666
518 HG23 THR 73 HG23 THR 73 4.262 -11.928 -1.029
519 H SER 74 H SER 74 3.183 -9.876 0.334
520 HA SER 74 HA SER 74 1.291 -11.121 2.241
521 HB2 SER 74 HB2 SER 74 3.471 -12.314 2.349
522 HB3 SER 74 HB3 SER 74 4.298 -10.790 2.650
523 HG SER 74 HG SER 74 3.320 -12.397 4.440
524 H ILE 75 H ILE 75 0.552 -9.741 3.756
525 HA ILE 75 HA ILE 75 0.800 -6.928 3.348
526 HB ILE 75 HB ILE 75 -0.585 -8.410 5.625
527 HG12 ILE 75 HG12 ILE 75 -1.645 -7.592 2.880
528 HG13 ILE 75 HG13 ILE 75 -1.447 -9.228 3.495
529 HG21 ILE 75 HG21 ILE 75 -1.046 -5.572 4.620
530 HG22 ILE 75 HG22 ILE 75 -0.257 -6.019 6.133
531 HG23 ILE 75 HG23 ILE 75 -1.964 -6.385 5.894
532 HD11 ILE 75 HD11 ILE 75 -3.428 -7.176 4.512
533 HD12 ILE 75 HD12 ILE 75 -3.226 -8.818 5.134
534 HD13 ILE 75 HD13 ILE 75 -3.779 -8.564 3.480
535 HA PRO 76 HA PRO 76 4.405 -6.108 6.146
536 HB2 PRO 76 HB2 PRO 76 2.959 -3.439 6.013
537 HB3 PRO 76 HB3 PRO 76 4.701 -3.779 5.899
538 HG2 PRO 76 HG2 PRO 76 3.300 -3.236 3.726
539 HG3 PRO 76 HG3 PRO 76 4.560 -4.493 3.691
540 HD2 PRO 76 HD2 PRO 76 1.584 -4.806 3.706
541 HD3 PRO 76 HD3 PRO 76 2.819 -5.832 2.951
542 H LYS 77 H LYS 77 4.359 -6.524 8.224
543 HA LYS 77 HA LYS 77 2.278 -7.079 9.842
544 HB2 LYS 77 HB2 LYS 77 4.972 -6.040 10.783
545 HB3 LYS 77 HB3 LYS 77 3.874 -7.066 11.706
546 HG2 LYS 77 HG2 LYS 77 4.245 -8.936 10.204
547 HG3 LYS 77 HG3 LYS 77 5.144 -7.918 9.075
548 HD2 LYS 77 HD2 LYS 77 6.845 -7.561 10.961
549 HD3 LYS 77 HD3 LYS 77 6.000 -8.839 11.843
550 HE2 LYS 77 HE2 LYS 77 7.947 -9.757 10.662
551 HE3 LYS 77 HE3 LYS 77 6.460 -10.410 9.971
552 HZ1 LYS 77 HZ1 LYS 77 6.632 -8.790 8.175
553 HZ2 LYS 77 HZ2 LYS 77 8.021 -9.750 8.253
554 HZ3 LYS 77 HZ3 LYS 77 8.057 -8.167 8.843
555 H GLY 78 H GLY 78 0.730 -5.383 9.438
556 HA2 GLY 78 HA2 GLY 78 -0.720 -3.995 10.598
557 HA3 GLY 78 HA3 GLY 78 0.564 -3.593 11.725
558 H GLU 79 H GLU 79 2.186 -2.058 11.048
559 HA GLU 79 HA GLU 79 0.957 0.098 9.469
560 HB2 GLU 79 HB2 GLU 79 3.218 0.122 11.514
561 HB3 GLU 79 HB3 GLU 79 2.601 1.555 10.684
562 HG2 GLU 79 HG2 GLU 79 0.410 1.280 11.708
563 HG3 GLU 79 HG3 GLU 79 0.880 -0.263 12.409
564 H TRP 80 H TRP 80 1.718 0.687 7.575
565 HA TRP 80 HA TRP 80 4.019 -0.726 6.402
566 HB2 TRP 80 HB2 TRP 80 1.992 -1.237 5.268
567 HB3 TRP 80 HB3 TRP 80 1.398 0.411 5.363
568 HD1 TRP 80 HD1 TRP 80 4.185 -1.553 3.437
569 HE1 TRP 80 HE1 TRP 80 4.363 -0.525 1.089
570 HE3 TRP 80 HE3 TRP 80 0.841 2.270 3.973
571 HZ2 TRP 80 HZ2 TRP 80 3.240 1.620 -0.352
572 HZ3 TRP 80 HZ3 TRP 80 0.442 3.769 2.057
573 HH2 TRP 80 HH2 TRP 80 1.626 3.446 -0.059
574 H LEU 81 H LEU 81 5.574 0.400 5.159
575 HA LEU 81 HA LEU 81 5.558 3.368 5.263
576 HB2 LEU 81 HB2 LEU 81 7.923 1.446 5.207
577 HB3 LEU 81 HB3 LEU 81 8.081 3.179 4.970
578 HG LEU 81 HG LEU 81 7.098 1.827 7.519
579 HD11 LEU 81 HD11 LEU 81 9.497 1.471 7.138
580 HD12 LEU 81 HD12 LEU 81 9.212 2.532 8.513
581 HD13 LEU 81 HD13 LEU 81 9.745 3.213 6.974
582 HD21 LEU 81 HD21 LEU 81 7.610 4.772 6.979
583 HD22 LEU 81 HD22 LEU 81 7.192 4.056 8.538
584 HD23 LEU 81 HD23 LEU 81 6.033 4.009 7.214
585 H CYS 82 H CYS 82 5.417 4.344 3.337
586 HA CYS 82 HA CYS 82 5.259 2.841 0.874
587 HB2 CYS 82 HB2 CYS 82 4.767 5.086 -0.130
588 HB3 CYS 82 HB3 CYS 82 3.749 4.762 1.277
589 HA PRO 83 HA PRO 83 9.466 3.521 -0.937
590 HB2 PRO 83 HB2 PRO 83 7.903 4.927 -3.127
591 HB3 PRO 83 HB3 PRO 83 9.224 3.741 -3.265
592 HG2 PRO 83 HG2 PRO 83 6.725 2.927 -3.641
593 HG3 PRO 83 HG3 PRO 83 7.858 1.924 -2.710
594 HD2 PRO 83 HD2 PRO 83 5.589 3.615 -1.708
595 HD3 PRO 83 HD3 PRO 83 6.203 2.062 -1.095
596 H ARG 84 H ARG 84 7.132 6.213 -0.880
597 HA ARG 84 HA ARG 84 8.907 8.406 -1.025
598 HB2 ARG 84 HB2 ARG 84 6.195 8.193 0.358
599 HB3 ARG 84 HB3 ARG 84 7.036 9.713 0.070
600 HG2 ARG 84 HG2 ARG 84 6.791 9.499 -2.304
601 HG3 ARG 84 HG3 ARG 84 6.230 7.833 -2.163
602 HD2 ARG 84 HD2 ARG 84 4.191 8.664 -0.971
603 HD3 ARG 84 HD3 ARG 84 4.741 10.323 -1.250
604 HE ARG 84 HE ARG 84 4.757 9.342 -3.744
605 HH11 ARG 84 HH11 ARG 84 2.226 9.131 -1.292
606 HH12 ARG 84 HH12 ARG 84 0.952 9.069 -2.463
607 HH21 ARG 84 HH21 ARG 84 3.075 9.195 -5.236
608 HH22 ARG 84 HH22 ARG 84 1.431 9.102 -4.683
609 H CYS 85 H CYS 85 7.737 6.510 1.759
610 HA CYS 85 HA CYS 85 8.990 8.107 3.786
611 HB2 CYS 85 HB2 CYS 85 7.909 5.262 3.905
612 HB3 CYS 85 HB3 CYS 85 8.360 6.244 5.306
613 H VAL 86 H VAL 86 9.975 5.311 1.873
614 HA VAL 86 HA VAL 86 12.334 4.598 3.295
615 HB VAL 86 HB VAL 86 11.699 4.264 0.320
616 HG11 VAL 86 HG11 VAL 86 13.409 2.465 0.319
617 HG12 VAL 86 HG12 VAL 86 13.824 2.856 1.991
618 HG13 VAL 86 HG13 VAL 86 14.116 4.033 0.707
619 HG21 VAL 86 HG21 VAL 86 10.020 3.158 1.749
620 HG22 VAL 86 HG22 VAL 86 11.293 2.302 2.618
621 HG23 VAL 86 HG23 VAL 86 11.005 1.956 0.912
622 H VAL 87 H VAL 87 11.696 6.848 0.603
623 HA VAL 87 HA VAL 87 14.369 7.923 0.453
624 HB VAL 87 HB VAL 87 11.744 9.101 -0.587
625 HG11 VAL 87 HG11 VAL 87 13.112 10.424 -2.160
626 HG12 VAL 87 HG12 VAL 87 14.588 9.789 -1.428
627 HG13 VAL 87 HG13 VAL 87 13.506 10.818 -0.487
628 HG21 VAL 87 HG21 VAL 87 13.751 7.339 -2.050
629 HG22 VAL 87 HG22 VAL 87 12.319 8.084 -2.769
630 HG23 VAL 87 HG23 VAL 87 12.141 6.858 -1.513
631 H GLU 88 H GLU 88 11.692 8.402 2.526
632 HA GLU 88 HA GLU 88 11.005 9.711 4.116
633 HB2 GLU 88 HB2 GLU 88 13.341 9.563 4.988
634 HB3 GLU 88 HB3 GLU 88 13.740 11.028 4.084
635 HG2 GLU 88 HG2 GLU 88 11.778 12.106 5.364
636 HG3 GLU 88 HG3 GLU 88 11.872 10.708 6.428
637 H GLU 89 H GLU 89 13.120 11.912 2.381
638 HA GLU 89 HA GLU 89 10.927 13.206 0.973
639 HB2 GLU 89 HB2 GLU 89 11.536 14.360 3.345
640 HB3 GLU 89 HB3 GLU 89 12.870 15.049 2.433
641 HG2 GLU 89 HG2 GLU 89 9.907 15.396 1.855
642 HG3 GLU 89 HG3 GLU 89 10.971 16.599 2.575
643 H VAL 90 H VAL 90 11.695 14.011 -1.022
644 HA VAL 90 HA VAL 90 14.173 12.919 -1.962
645 HB VAL 90 HB VAL 90 12.347 14.905 -3.407
646 HG11 VAL 90 HG11 VAL 90 13.343 13.995 -5.490
647 HG12 VAL 90 HG12 VAL 90 14.420 12.976 -4.530
648 HG13 VAL 90 HG13 VAL 90 14.566 14.733 -4.454
649 HG21 VAL 90 HG21 VAL 90 11.056 12.928 -2.725
650 HG22 VAL 90 HG22 VAL 90 12.255 11.861 -3.458
651 HG23 VAL 90 HG23 VAL 90 11.286 12.932 -4.475
652 H SER 91 H SER 91 15.916 13.800 -0.940
653 HA SER 91 HA SER 91 15.968 16.469 0.077
654 HB2 SER 91 HB2 SER 91 17.018 14.644 1.334
655 HB3 SER 91 HB3 SER 91 18.128 14.315 0.005
656 HG SER 91 HG SER 91 18.668 15.821 1.966
657 H LYS 92 H LYS 92 16.687 18.256 -0.882
658 HA LYS 92 HA LYS 92 17.830 18.190 -3.542
659 HB2 LYS 92 HB2 LYS 92 17.525 20.635 -3.512
660 HB3 LYS 92 HB3 LYS 92 16.056 19.819 -3.010
661 HG2 LYS 92 HG2 LYS 92 16.531 20.388 -0.647
662 HG3 LYS 92 HG3 LYS 92 18.035 21.167 -1.137
663 HD2 LYS 92 HD2 LYS 92 16.422 22.909 -0.791
664 HD3 LYS 92 HD3 LYS 92 16.667 22.774 -2.530
665 HE2 LYS 92 HE2 LYS 92 14.303 23.061 -2.108
666 HE3 LYS 92 HE3 LYS 92 14.548 21.398 -2.644
667 HZ1 LYS 92 HZ1 LYS 92 14.513 20.725 -0.290
668 HZ2 LYS 92 HZ2 LYS 92 13.063 21.444 -0.777
669 HZ3 LYS 92 HZ3 LYS 92 14.166 22.319 0.157
670 HA PRO 93 HA PRO 93 22.114 18.819 -1.946
671 HB2 PRO 93 HB2 PRO 93 22.757 18.805 -4.878
672 HB3 PRO 93 HB3 PRO 93 23.425 17.793 -3.582
673 HG2 PRO 93 HG2 PRO 93 21.765 16.747 -5.400
674 HG3 PRO 93 HG3 PRO 93 21.678 16.242 -3.694
675 HD2 PRO 93 HD2 PRO 93 19.929 18.234 -5.157
676 HD3 PRO 93 HD3 PRO 93 19.449 16.911 -4.063
677 H GLN 94 H GLN 94 21.381 20.904 -1.266
678 HA GLN 94 HA GLN 94 21.142 23.118 -3.107
679 HB2 GLN 94 HB2 GLN 94 19.946 22.702 -0.761
680 HB3 GLN 94 HB3 GLN 94 21.377 23.470 -0.096
681 HG2 GLN 94 HG2 GLN 94 19.528 24.743 -2.142
682 HG3 GLN 94 HG3 GLN 94 19.428 25.006 -0.405
683 HE21 GLN 94 HE21 GLN 94 19.907 26.905 -2.615
684 HE22 GLN 94 HE22 GLN 94 21.385 27.709 -2.227
Start of MODEL 20
1 H1 SER 1 H1 SER 1 -62.323 11.115 -69.767
2 H2 SER 1 H2 SER 1 -63.900 11.727 -69.698
3 H3 SER 1 H3 SER 1 -62.732 12.262 -68.602
4 HA SER 1 HA SER 1 -62.673 12.701 -71.510
5 HB2 SER 1 HB2 SER 1 -63.055 15.123 -70.828
6 HB3 SER 1 HB3 SER 1 -64.423 14.056 -70.510
7 HG SER 1 HG SER 1 -64.168 15.174 -68.658
8 H HIS 2 H HIS 2 -61.063 14.645 -71.889
9 HA HIS 2 HA HIS 2 -58.466 13.684 -71.301
10 HB2 HIS 2 HB2 HIS 2 -59.270 16.416 -72.407
11 HB3 HIS 2 HB3 HIS 2 -57.650 15.734 -72.465
12 HD2 HIS 2 HD2 HIS 2 -57.499 13.343 -74.153
13 HE1 HIS 2 HE1 HIS 2 -60.744 14.702 -76.504
14 HE2 HIS 2 HE2 HIS 2 -58.683 13.233 -76.456
15 H MET 3 H MET 3 -57.958 13.635 -69.148
16 HA MET 3 HA MET 3 -58.362 15.747 -67.284
17 HB2 MET 3 HB2 MET 3 -56.453 13.364 -67.182
18 HB3 MET 3 HB3 MET 3 -56.752 14.450 -65.832
19 HG2 MET 3 HG2 MET 3 -59.113 13.763 -65.792
20 HG3 MET 3 HG3 MET 3 -58.819 12.682 -67.160
21 HE1 MET 3 HE1 MET 3 -59.815 10.608 -65.772
22 HE2 MET 3 HE2 MET 3 -60.132 11.682 -64.407
23 HE3 MET 3 HE3 MET 3 -59.260 10.170 -64.156
24 H SER 4 H SER 4 -57.635 17.600 -68.260
25 HA SER 4 HA SER 4 -54.769 17.937 -68.877
26 HB2 SER 4 HB2 SER 4 -56.451 18.635 -70.607
27 HB3 SER 4 HB3 SER 4 -57.155 19.770 -69.452
28 HG SER 4 HG SER 4 -54.753 19.908 -70.874
29 H GLY 5 H GLY 5 -53.818 18.205 -66.921
30 HA2 GLY 5 HA2 GLY 5 -54.682 20.480 -65.217
31 HA3 GLY 5 HA3 GLY 5 -54.321 18.907 -64.513
32 H GLY 6 H GLY 6 -53.013 21.784 -65.948
33 HA2 GLY 6 HA2 GLY 6 -50.251 21.093 -65.937
34 HA3 GLY 6 HA3 GLY 6 -50.920 22.720 -65.884
35 H SER 7 H SER 7 -49.070 20.575 -64.174
36 HA SER 7 HA SER 7 -49.693 21.795 -61.540
37 HB2 SER 7 HB2 SER 7 -50.167 19.340 -61.627
38 HB3 SER 7 HB3 SER 7 -48.493 19.034 -62.096
39 HG SER 7 HG SER 7 -49.376 20.246 -59.669
40 HA PRO 8 HA PRO 8 -45.361 23.144 -62.472
41 HB2 PRO 8 HB2 PRO 8 -45.651 25.768 -61.744
42 HB3 PRO 8 HB3 PRO 8 -46.133 25.180 -63.348
43 HG2 PRO 8 HG2 PRO 8 -47.836 25.814 -60.978
44 HG3 PRO 8 HG3 PRO 8 -48.154 26.100 -62.704
45 HD2 PRO 8 HD2 PRO 8 -49.185 23.971 -61.225
46 HD3 PRO 8 HD3 PRO 8 -49.051 23.996 -62.996
47 H LEU 9 H LEU 9 -43.956 22.615 -60.880
48 HA LEU 9 HA LEU 9 -44.585 22.117 -58.202
49 HB2 LEU 9 HB2 LEU 9 -41.828 22.766 -59.324
50 HB3 LEU 9 HB3 LEU 9 -42.156 21.884 -57.841
51 HG LEU 9 HG LEU 9 -42.789 20.917 -60.659
52 HD11 LEU 9 HD11 LEU 9 -41.013 19.262 -60.313
53 HD12 LEU 9 HD12 LEU 9 -40.631 19.973 -58.743
54 HD13 LEU 9 HD13 LEU 9 -40.386 20.906 -60.223
55 HD21 LEU 9 HD21 LEU 9 -43.376 18.766 -59.628
56 HD22 LEU 9 HD22 LEU 9 -44.444 20.061 -59.097
57 HD23 LEU 9 HD23 LEU 9 -43.174 19.473 -58.021
58 H ALA 10 H ALA 10 -45.027 23.521 -56.588
59 HA ALA 10 HA ALA 10 -45.085 26.325 -57.094
60 HB1 ALA 10 HB1 ALA 10 -46.154 26.494 -54.875
61 HB2 ALA 10 HB2 ALA 10 -45.711 24.822 -54.517
62 HB3 ALA 10 HB3 ALA 10 -46.849 25.174 -55.814
63 H THR 11 H THR 11 -42.943 26.882 -57.424
64 HA THR 11 HA THR 11 -40.984 27.846 -57.031
65 HB THR 11 HB THR 11 -41.681 27.876 -54.061
66 HG1 THR 11 HG1 THR 11 -42.895 29.614 -54.476
67 HG21 THR 11 HG21 THR 11 -40.223 29.865 -53.968
68 HG22 THR 11 HG22 THR 11 -39.860 29.693 -55.685
69 HG23 THR 11 HG23 THR 11 -39.311 28.465 -54.544
70 H GLY 12 H GLY 12 -38.875 27.239 -56.804
71 HA2 GLY 12 HA2 GLY 12 -38.212 24.630 -55.648
72 HA3 GLY 12 HA3 GLY 12 -37.156 25.675 -56.589
73 H THR 13 H THR 13 -36.895 24.348 -53.873
74 HA THR 13 HA THR 13 -36.756 26.399 -51.889
75 HB THR 13 HB THR 13 -35.295 24.609 -50.661
76 HG1 THR 13 HG1 THR 13 -36.348 22.812 -52.569
77 HG21 THR 13 HG21 THR 13 -37.238 23.245 -50.077
78 HG22 THR 13 HG22 THR 13 -38.105 23.819 -51.498
79 HG23 THR 13 HG23 THR 13 -37.714 24.944 -50.195
80 H THR 14 H THR 14 -34.805 27.122 -50.822
81 HA THR 14 HA THR 14 -32.407 27.369 -52.557
82 HB THR 14 HB THR 14 -32.080 29.636 -51.420
83 HG1 THR 14 HG1 THR 14 -33.472 29.423 -49.658
84 HG21 THR 14 HG21 THR 14 -34.610 29.366 -53.084
85 HG22 THR 14 HG22 THR 14 -32.972 29.527 -53.723
86 HG23 THR 14 HG23 THR 14 -33.702 30.859 -52.824
87 H ALA 15 H ALA 15 -30.416 27.922 -51.223
88 HA ALA 15 HA ALA 15 -30.374 27.020 -48.448
89 HB1 ALA 15 HB1 ALA 15 -28.825 25.522 -50.605
90 HB2 ALA 15 HB2 ALA 15 -30.206 24.902 -49.700
91 HB3 ALA 15 HB3 ALA 15 -28.693 25.250 -48.862
92 H ASN 16 H ASN 16 -29.016 28.289 -47.388
93 HA ASN 16 HA ASN 16 -26.722 29.599 -48.748
94 HB2 ASN 16 HB2 ASN 16 -28.466 30.588 -46.424
95 HB3 ASN 16 HB3 ASN 16 -26.995 31.394 -46.967
96 HD21 ASN 16 HD21 ASN 16 -29.893 32.232 -46.930
97 HD22 ASN 16 HD22 ASN 16 -30.215 32.755 -48.547
98 H THR 17 H THR 17 -25.095 28.232 -48.251
99 HA THR 17 HA THR 17 -24.993 26.510 -46.024
100 HB THR 17 HB THR 17 -22.636 27.330 -47.785
101 HG1 THR 17 HG1 THR 17 -23.985 26.603 -49.294
102 HG21 THR 17 HG21 THR 17 -23.228 24.726 -46.328
103 HG22 THR 17 HG22 THR 17 -22.012 25.915 -45.847
104 HG23 THR 17 HG23 THR 17 -21.841 25.033 -47.367
105 H ARG 18 H ARG 18 -24.607 27.087 -43.966
106 HA ARG 18 HA ARG 18 -23.004 29.483 -43.297
107 HB2 ARG 18 HB2 ARG 18 -25.023 27.894 -41.635
108 HB3 ARG 18 HB3 ARG 18 -24.135 29.302 -41.060
109 HG2 ARG 18 HG2 ARG 18 -25.239 30.711 -42.769
110 HG3 ARG 18 HG3 ARG 18 -26.127 29.301 -43.353
111 HD2 ARG 18 HD2 ARG 18 -27.537 30.673 -41.896
112 HD3 ARG 18 HD3 ARG 18 -27.251 29.091 -41.166
113 HE ARG 18 HE ARG 18 -25.302 30.671 -40.093
114 HH11 ARG 18 HH11 ARG 18 -28.815 30.975 -40.220
115 HH12 ARG 18 HH12 ARG 18 -28.899 31.851 -38.721
116 HH21 ARG 18 HH21 ARG 18 -25.444 31.794 -38.140
117 HH22 ARG 18 HH22 ARG 18 -26.994 32.313 -37.544
118 H GLY 19 H GLY 19 -22.200 29.016 -40.772
119 HA2 GLY 19 HA2 GLY 19 -21.170 26.548 -40.017
120 HA3 GLY 19 HA3 GLY 19 -19.937 27.295 -41.029
121 H ALA 20 H ALA 20 -21.688 27.485 -38.003
122 HA ALA 20 HA ALA 20 -20.348 29.847 -37.015
123 HB1 ALA 20 HB1 ALA 20 -22.612 29.262 -36.235
124 HB2 ALA 20 HB2 ALA 20 -21.479 29.353 -34.885
125 HB3 ALA 20 HB3 ALA 20 -21.992 27.780 -35.508
126 H SER 21 H SER 21 -18.202 29.713 -36.681
127 HA SER 21 HA SER 21 -16.840 27.339 -35.795
128 HB2 SER 21 HB2 SER 21 -15.827 30.199 -36.101
129 HB3 SER 21 HB3 SER 21 -14.811 28.784 -35.823
130 HG SER 21 HG SER 21 -16.053 29.657 -38.129
131 H GLN 22 H GLN 22 -18.064 26.961 -33.878
132 HA GLN 22 HA GLN 22 -17.513 28.750 -31.588
133 HB2 GLN 22 HB2 GLN 22 -19.544 27.657 -30.538
134 HB3 GLN 22 HB3 GLN 22 -19.854 28.665 -31.937
135 HG2 GLN 22 HG2 GLN 22 -21.237 26.935 -32.486
136 HG3 GLN 22 HG3 GLN 22 -19.764 26.285 -33.197
137 HE21 GLN 22 HE21 GLN 22 -18.874 24.406 -32.288
138 HE22 GLN 22 HE22 GLN 22 -19.665 23.499 -31.048
139 H LYS 23 H LYS 23 -16.324 28.022 -29.936
140 HA LYS 23 HA LYS 23 -16.130 25.374 -28.988
141 HB2 LYS 23 HB2 LYS 23 -14.821 25.008 -31.093
142 HB3 LYS 23 HB3 LYS 23 -13.703 26.281 -30.623
143 HG2 LYS 23 HG2 LYS 23 -12.997 24.939 -28.660
144 HG3 LYS 23 HG3 LYS 23 -14.139 23.672 -29.118
145 HD2 LYS 23 HD2 LYS 23 -11.863 23.072 -29.820
146 HD3 LYS 23 HD3 LYS 23 -12.894 23.310 -31.231
147 HE2 LYS 23 HE2 LYS 23 -11.923 25.535 -31.590
148 HE3 LYS 23 HE3 LYS 23 -10.945 25.364 -30.130
149 HZ1 LYS 23 HZ1 LYS 23 -10.732 23.675 -32.567
150 HZ2 LYS 23 HZ2 LYS 23 -9.817 23.478 -31.161
151 HZ3 LYS 23 HZ3 LYS 23 -9.647 24.875 -32.096
152 H LYS 24 H LYS 24 -16.262 26.203 -26.944
153 HA LYS 24 HA LYS 24 -13.824 26.848 -25.661
154 HB2 LYS 24 HB2 LYS 24 -14.243 29.061 -24.759
155 HB3 LYS 24 HB3 LYS 24 -14.329 29.155 -26.512
156 HG2 LYS 24 HG2 LYS 24 -16.807 29.175 -26.377
157 HG3 LYS 24 HG3 LYS 24 -16.698 29.101 -24.614
158 HD2 LYS 24 HD2 LYS 24 -15.420 31.267 -24.644
159 HD3 LYS 24 HD3 LYS 24 -15.667 31.348 -26.392
160 HE2 LYS 24 HE2 LYS 24 -17.311 32.749 -25.311
161 HE3 LYS 24 HE3 LYS 24 -18.141 31.346 -25.985
162 HZ1 LYS 24 HZ1 LYS 24 -17.405 31.776 -23.137
163 HZ2 LYS 24 HZ2 LYS 24 -18.079 30.348 -23.739
164 HZ3 LYS 24 HZ3 LYS 24 -18.962 31.789 -23.797
165 H GLY 25 H GLY 25 -14.010 26.892 -23.330
166 HA2 GLY 25 HA2 GLY 25 -14.820 26.205 -21.303
167 HA3 GLY 25 HA3 GLY 25 -16.408 26.709 -21.861
168 H GLY 26 H GLY 26 -14.289 24.181 -23.158
169 HA2 GLY 26 HA2 GLY 26 -16.409 22.173 -23.065
170 HA3 GLY 26 HA3 GLY 26 -14.826 22.015 -23.815
171 H GLU 27 H GLU 27 -16.200 22.562 -20.608
172 HA GLU 27 HA GLU 27 -14.860 20.378 -19.318
173 HB2 GLU 27 HB2 GLU 27 -12.979 22.040 -19.563
174 HB3 GLU 27 HB3 GLU 27 -13.941 23.234 -18.703
175 HG2 GLU 27 HG2 GLU 27 -13.952 21.637 -16.724
176 HG3 GLU 27 HG3 GLU 27 -12.764 20.671 -17.598
177 HA PRO 28 HA PRO 28 -18.851 21.719 -17.264
178 HB2 PRO 28 HB2 PRO 28 -19.294 19.138 -16.230
179 HB3 PRO 28 HB3 PRO 28 -19.929 19.726 -17.775
180 HG2 PRO 28 HG2 PRO 28 -17.511 18.044 -17.259
181 HG3 PRO 28 HG3 PRO 28 -18.722 17.913 -18.556
182 HD2 PRO 28 HD2 PRO 28 -16.311 19.012 -19.017
183 HD3 PRO 28 HD3 PRO 28 -17.773 19.651 -19.801
184 HA PRO 29 HA PRO 29 -16.325 22.488 -13.629
185 HB2 PRO 29 HB2 PRO 29 -18.215 23.706 -12.013
186 HB3 PRO 29 HB3 PRO 29 -17.461 24.508 -13.405
187 HG2 PRO 29 HG2 PRO 29 -20.139 23.184 -13.227
188 HG3 PRO 29 HG3 PRO 29 -19.691 24.720 -14.006
189 HD2 PRO 29 HD2 PRO 29 -20.030 22.424 -15.427
190 HD3 PRO 29 HD3 PRO 29 -18.861 23.669 -15.909
191 H ALA 30 H ALA 30 -15.861 20.408 -13.007
192 HA ALA 30 HA ALA 30 -17.603 18.534 -11.832
193 HB1 ALA 30 HB1 ALA 30 -15.501 17.877 -12.910
194 HB2 ALA 30 HB2 ALA 30 -15.547 17.288 -11.248
195 HB3 ALA 30 HB3 ALA 30 -14.574 18.702 -11.657
196 H LEU 31 H LEU 31 -18.751 19.283 -10.144
197 HA LEU 31 HA LEU 31 -17.522 20.861 -8.002
198 HB2 LEU 31 HB2 LEU 31 -19.622 21.620 -9.170
199 HB3 LEU 31 HB3 LEU 31 -20.450 20.200 -8.551
200 HG LEU 31 HG LEU 31 -20.063 21.043 -6.214
201 HD11 LEU 31 HD11 LEU 31 -19.030 23.552 -7.558
202 HD12 LEU 31 HD12 LEU 31 -18.089 22.420 -6.583
203 HD13 LEU 31 HD13 LEU 31 -19.377 23.360 -5.838
204 HD21 LEU 31 HD21 LEU 31 -21.790 22.796 -6.274
205 HD22 LEU 31 HD22 LEU 31 -22.209 21.444 -7.320
206 HD23 LEU 31 HD23 LEU 31 -21.595 22.940 -8.025
207 H ILE 32 H ILE 32 -16.433 19.397 -6.737
208 HA ILE 32 HA ILE 32 -17.595 16.950 -5.751
209 HB ILE 32 HB ILE 32 -15.031 18.413 -4.951
210 HG12 ILE 32 HG12 ILE 32 -13.948 16.285 -5.898
211 HG13 ILE 32 HG13 ILE 32 -15.536 15.821 -6.485
212 HG21 ILE 32 HG21 ILE 32 -14.437 16.469 -3.521
213 HG22 ILE 32 HG22 ILE 32 -16.027 15.764 -3.814
214 HG23 ILE 32 HG23 ILE 32 -15.888 17.282 -2.928
215 HD11 ILE 32 HD11 ILE 32 -13.982 18.263 -7.343
216 HD12 ILE 32 HD12 ILE 32 -15.562 17.774 -7.959
217 HD13 ILE 32 HD13 ILE 32 -14.150 16.759 -8.247
218 H VAL 33 H VAL 33 -19.542 17.590 -4.850
219 HA VAL 33 HA VAL 33 -19.542 19.094 -2.316
220 HB VAL 33 HB VAL 33 -21.863 17.665 -3.724
221 HG11 VAL 33 HG11 VAL 33 -21.936 19.758 -1.515
222 HG12 VAL 33 HG12 VAL 33 -22.338 18.048 -1.345
223 HG13 VAL 33 HG13 VAL 33 -23.347 19.089 -2.348
224 HG21 VAL 33 HG21 VAL 33 -21.074 20.600 -3.874
225 HG22 VAL 33 HG22 VAL 33 -22.527 19.889 -4.581
226 HG23 VAL 33 HG23 VAL 33 -20.935 19.415 -5.176
227 H ASP 34 H ASP 34 -18.736 16.086 -3.367
228 HA ASP 34 HA ASP 34 -19.615 14.199 -1.543
229 HB2 ASP 34 HB2 ASP 34 -18.215 13.846 -3.659
230 HB3 ASP 34 HB3 ASP 34 -16.808 14.409 -2.766
231 HA PRO 35 HA PRO 35 -18.024 15.356 2.556
232 HB2 PRO 35 HB2 PRO 35 -17.054 12.717 3.222
233 HB3 PRO 35 HB3 PRO 35 -18.635 13.403 3.621
234 HG2 PRO 35 HG2 PRO 35 -17.878 11.648 1.325
235 HG3 PRO 35 HG3 PRO 35 -19.381 11.685 2.279
236 HD2 PRO 35 HD2 PRO 35 -19.374 12.726 -0.159
237 HD3 PRO 35 HD3 PRO 35 -20.202 13.605 1.151
238 H LEU 36 H LEU 36 -15.955 13.316 0.505
239 HA LEU 36 HA LEU 36 -13.878 13.580 -0.295
240 HB2 LEU 36 HB2 LEU 36 -14.324 16.041 -0.285
241 HB3 LEU 36 HB3 LEU 36 -13.648 16.149 1.322
242 HG LEU 36 HG LEU 36 -11.935 15.156 -0.990
243 HD11 LEU 36 HD11 LEU 36 -12.879 17.293 -1.742
244 HD12 LEU 36 HD12 LEU 36 -11.158 17.447 -1.406
245 HD13 LEU 36 HD13 LEU 36 -12.339 18.077 -0.256
246 HD21 LEU 36 HD21 LEU 36 -11.010 14.872 1.271
247 HD22 LEU 36 HD22 LEU 36 -11.208 16.595 1.587
248 HD23 LEU 36 HD23 LEU 36 -10.070 16.046 0.352
249 H MET 37 H MET 37 -13.876 14.445 3.189
250 HA MET 37 HA MET 37 -11.328 13.514 3.861
251 HB2 MET 37 HB2 MET 37 -12.563 15.024 5.322
252 HB3 MET 37 HB3 MET 37 -13.823 13.826 5.579
253 HG2 MET 37 HG2 MET 37 -12.344 14.022 7.527
254 HG3 MET 37 HG3 MET 37 -12.247 12.408 6.818
255 HE1 MET 37 HE1 MET 37 -8.594 12.894 8.098
256 HE2 MET 37 HE2 MET 37 -9.996 11.824 8.066
257 HE3 MET 37 HE3 MET 37 -10.089 13.382 8.893
258 H LYS 38 H LYS 38 -11.025 11.538 2.853
259 HA LYS 38 HA LYS 38 -11.778 9.170 4.384
260 HB2 LYS 38 HB2 LYS 38 -12.262 9.373 1.363
261 HB3 LYS 38 HB3 LYS 38 -12.327 7.876 2.286
262 HG2 LYS 38 HG2 LYS 38 -14.238 8.775 3.588
263 HG3 LYS 38 HG3 LYS 38 -14.176 10.251 2.619
264 HD2 LYS 38 HD2 LYS 38 -14.674 8.917 0.574
265 HD3 LYS 38 HD3 LYS 38 -14.766 7.456 1.568
266 HE2 LYS 38 HE2 LYS 38 -16.574 9.886 1.791
267 HE3 LYS 38 HE3 LYS 38 -17.013 8.320 1.112
268 HZ1 LYS 38 HZ1 LYS 38 -16.605 7.336 3.315
269 HZ2 LYS 38 HZ2 LYS 38 -17.830 8.503 3.349
270 HZ3 LYS 38 HZ3 LYS 38 -16.289 8.870 3.940
271 H TYR 39 H TYR 39 -10.389 7.328 3.801
272 HA TYR 39 HA TYR 39 -7.682 8.051 3.319
273 HB2 TYR 39 HB2 TYR 39 -9.021 5.326 3.549
274 HB3 TYR 39 HB3 TYR 39 -7.282 5.539 3.380
275 HD1 TYR 39 HD2 TYR 39 -6.101 7.023 5.180
276 HD2 TYR 39 HD1 TYR 39 -9.978 5.319 5.736
277 HE1 TYR 39 HE2 TYR 39 -5.861 7.264 7.613
278 HE2 TYR 39 HE1 TYR 39 -9.740 5.566 8.166
279 HH TYR 39 HH TYR 39 -7.256 7.406 9.607
280 H ILE 40 H ILE 40 -9.540 5.585 1.587
281 HA ILE 40 HA ILE 40 -9.903 5.002 -0.562
282 HB ILE 40 HB ILE 40 -9.257 7.929 -1.108
283 HG12 ILE 40 HG12 ILE 40 -11.906 6.426 -0.998
284 HG13 ILE 40 HG13 ILE 40 -11.299 7.533 0.228
285 HG21 ILE 40 HG21 ILE 40 -10.373 5.902 -3.082
286 HG22 ILE 40 HG22 ILE 40 -8.794 6.682 -3.171
287 HG23 ILE 40 HG23 ILE 40 -10.259 7.641 -3.361
288 HD11 ILE 40 HD11 ILE 40 -11.451 9.385 -1.381
289 HD12 ILE 40 HD12 ILE 40 -13.001 8.585 -1.125
290 HD13 ILE 40 HD13 ILE 40 -12.080 8.266 -2.596
291 H CYS 41 H CYS 41 -8.652 3.728 -1.863
292 HA CYS 41 HA CYS 41 -5.832 3.727 -1.828
293 HB2 CYS 41 HB2 CYS 41 -7.142 1.726 -2.335
294 HB3 CYS 41 HB3 CYS 41 -7.755 2.458 -3.811
295 H HIS 42 H HIS 42 -4.712 5.363 -2.567
296 HA HIS 42 HA HIS 42 -5.565 7.417 -4.264
297 HB2 HIS 42 HB2 HIS 42 -3.854 7.513 -2.399
298 HB3 HIS 42 HB3 HIS 42 -2.711 6.699 -3.453
299 HD1 HIS 42 HD1 HIS 42 -1.184 8.749 -3.083
300 HD2 HIS 42 HD2 HIS 42 -4.714 9.619 -5.095
301 HE1 HIS 42 HE1 HIS 42 -0.821 11.004 -4.115
302 HE2 HIS 42 HE2 HIS 42 -3.049 11.591 -5.136
303 H ILE 43 H ILE 43 -4.287 4.342 -5.075
304 HA ILE 43 HA ILE 43 -3.410 5.133 -7.767
305 HB ILE 43 HB ILE 43 -3.279 2.411 -6.387
306 HG12 ILE 43 HG12 ILE 43 -1.122 4.500 -6.947
307 HG13 ILE 43 HG13 ILE 43 -1.725 4.018 -5.367
308 HG21 ILE 43 HG21 ILE 43 -1.894 1.667 -8.293
309 HG22 ILE 43 HG22 ILE 43 -2.131 3.225 -9.086
310 HG23 ILE 43 HG23 ILE 43 -3.503 2.146 -8.835
311 HD11 ILE 43 HD11 ILE 43 -0.772 1.767 -5.740
312 HD12 ILE 43 HD12 ILE 43 0.428 3.059 -5.733
313 HD13 ILE 43 HD13 ILE 43 -0.087 2.348 -7.262
314 H CYS 44 H CYS 44 -6.043 3.418 -6.099
315 HA CYS 44 HA CYS 44 -7.284 2.428 -8.550
316 HB2 CYS 44 HB2 CYS 44 -8.242 2.424 -5.646
317 HB3 CYS 44 HB3 CYS 44 -9.111 1.674 -6.984
318 H ASN 45 H ASN 45 -7.416 5.278 -6.608
319 HA ASN 45 HA ASN 45 -8.555 7.215 -6.624
320 HB2 ASN 45 HB2 ASN 45 -8.496 7.176 -9.095
321 HB3 ASN 45 HB3 ASN 45 -9.935 6.166 -9.139
322 HD21 ASN 45 HD21 ASN 45 -11.943 7.110 -8.745
323 HD22 ASN 45 HD22 ASN 45 -12.191 8.818 -8.724
324 H ARG 46 H ARG 46 -10.303 4.222 -6.641
325 HA ARG 46 HA ARG 46 -12.552 5.388 -5.130
326 HB2 ARG 46 HB2 ARG 46 -12.335 2.755 -6.663
327 HB3 ARG 46 HB3 ARG 46 -13.723 3.230 -5.690
328 HG2 ARG 46 HG2 ARG 46 -14.113 5.167 -7.180
329 HG3 ARG 46 HG3 ARG 46 -12.732 4.676 -8.167
330 HD2 ARG 46 HD2 ARG 46 -13.858 2.571 -8.741
331 HD3 ARG 46 HD3 ARG 46 -15.216 2.993 -7.691
332 HE ARG 46 HE ARG 46 -14.793 5.013 -9.643
333 HH11 ARG 46 HH11 ARG 46 -16.100 1.752 -9.337
334 HH12 ARG 46 HH12 ARG 46 -17.194 1.932 -10.676
335 HH21 ARG 46 HH21 ARG 46 -16.257 5.244 -11.380
336 HH22 ARG 46 HH22 ARG 46 -17.281 3.914 -11.829
337 H GLY 47 H GLY 47 -13.457 3.878 -3.460
338 HA2 GLY 47 HA2 GLY 47 -11.300 2.917 -1.693
339 HA3 GLY 47 HA3 GLY 47 -12.914 3.408 -1.207
340 H ASP 48 H ASP 48 -12.100 1.161 -3.834
341 HA ASP 48 HA ASP 48 -13.777 -0.966 -2.808
342 HB2 ASP 48 HB2 ASP 48 -11.674 -1.018 -5.037
343 HB3 ASP 48 HB3 ASP 48 -12.801 -2.328 -4.688
344 H VAL 49 H VAL 49 -12.990 -3.090 -2.192
345 HA VAL 49 HA VAL 49 -11.921 -4.399 -0.670
346 HB VAL 49 HB VAL 49 -9.420 -3.789 -2.314
347 HG11 VAL 49 HG11 VAL 49 -8.831 -6.148 -1.898
348 HG12 VAL 49 HG12 VAL 49 -10.295 -6.355 -0.935
349 HG13 VAL 49 HG13 VAL 49 -9.023 -5.261 -0.385
350 HG21 VAL 49 HG21 VAL 49 -10.142 -5.499 -3.945
351 HG22 VAL 49 HG22 VAL 49 -11.284 -4.156 -3.887
352 HG23 VAL 49 HG23 VAL 49 -11.677 -5.682 -3.092
353 H GLU 50 H GLU 50 -12.332 -2.355 0.725
354 HA GLU 50 HA GLU 50 -10.240 -0.598 1.426
355 HB2 GLU 50 HB2 GLU 50 -11.740 0.235 3.154
356 HB3 GLU 50 HB3 GLU 50 -12.630 -0.035 1.660
357 HG2 GLU 50 HG2 GLU 50 -13.519 -2.167 2.574
358 HG3 GLU 50 HG3 GLU 50 -12.640 -1.873 4.074
359 H GLU 51 H GLU 51 -11.034 -3.777 2.583
360 HA GLU 51 HA GLU 51 -9.805 -3.779 5.126
361 HB2 GLU 51 HB2 GLU 51 -11.388 -5.501 4.201
362 HB3 GLU 51 HB3 GLU 51 -10.133 -6.077 3.125
363 HG2 GLU 51 HG2 GLU 51 -9.846 -6.154 6.135
364 HG3 GLU 51 HG3 GLU 51 -10.633 -7.444 5.240
365 H SER 52 H SER 52 -8.491 -4.196 1.861
366 HA SER 52 HA SER 52 -5.809 -4.910 2.869
367 HB2 SER 52 HB2 SER 52 -6.923 -4.946 0.033
368 HB3 SER 52 HB3 SER 52 -5.335 -5.542 0.528
369 HG SER 52 HG SER 52 -7.320 -6.620 2.040
370 H MET 53 H MET 53 -7.240 -2.136 2.698
371 HA MET 53 HA MET 53 -5.442 -0.599 1.000
372 HB2 MET 53 HB2 MET 53 -7.911 -0.050 1.254
373 HB3 MET 53 HB3 MET 53 -7.596 0.413 2.919
374 HG2 MET 53 HG2 MET 53 -6.072 2.192 2.118
375 HG3 MET 53 HG3 MET 53 -6.432 1.738 0.452
376 HE1 MET 53 HE1 MET 53 -9.612 1.052 0.740
377 HE2 MET 53 HE2 MET 53 -8.942 1.962 -0.617
378 HE3 MET 53 HE3 MET 53 -10.309 2.608 0.291
379 H LEU 54 H LEU 54 -3.445 -0.545 1.790
380 HA LEU 54 HA LEU 54 -2.728 -0.441 4.583
381 HB2 LEU 54 HB2 LEU 54 -0.990 0.066 2.124
382 HB3 LEU 54 HB3 LEU 54 -0.395 -0.178 3.758
383 HG LEU 54 HG LEU 54 -1.817 -2.270 2.073
384 HD11 LEU 54 HD11 LEU 54 0.376 -3.373 1.946
385 HD12 LEU 54 HD12 LEU 54 1.122 -2.022 2.807
386 HD13 LEU 54 HD13 LEU 54 0.412 -1.774 1.207
387 HD21 LEU 54 HD21 LEU 54 -0.564 -2.531 4.825
388 HD22 LEU 54 HD22 LEU 54 -1.190 -3.859 3.846
389 HD23 LEU 54 HD23 LEU 54 -2.286 -2.616 4.441
390 H LEU 55 H LEU 55 -1.953 1.340 5.696
391 HA LEU 55 HA LEU 55 -2.129 3.986 4.362
392 HB2 LEU 55 HB2 LEU 55 -3.947 3.450 6.079
393 HB3 LEU 55 HB3 LEU 55 -2.704 3.380 7.304
394 HG LEU 55 HG LEU 55 -4.117 5.532 7.177
395 HD11 LEU 55 HD11 LEU 55 -1.114 5.906 7.050
396 HD12 LEU 55 HD12 LEU 55 -2.049 5.475 8.483
397 HD13 LEU 55 HD13 LEU 55 -2.283 7.049 7.723
398 HD21 LEU 55 HD21 LEU 55 -2.390 6.087 4.741
399 HD22 LEU 55 HD22 LEU 55 -3.508 7.217 5.510
400 HD23 LEU 55 HD23 LEU 55 -4.126 5.763 4.728
401 H CYS 56 H CYS 56 -0.103 4.702 4.053
402 HA CYS 56 HA CYS 56 2.242 3.948 5.362
403 HB2 CYS 56 HB2 CYS 56 2.311 5.205 3.277
404 HB3 CYS 56 HB3 CYS 56 1.565 6.606 4.042
405 H ASP 57 H ASP 57 2.563 4.061 7.499
406 HA ASP 57 HA ASP 57 1.158 5.630 9.333
407 HB2 ASP 57 HB2 ASP 57 2.347 3.509 9.888
408 HB3 ASP 57 HB3 ASP 57 3.893 4.327 9.685
409 H GLY 58 H GLY 58 4.097 6.334 7.571
410 HA2 GLY 58 HA2 GLY 58 4.301 9.050 8.765
411 HA3 GLY 58 HA3 GLY 58 5.665 8.130 8.152
412 H CYS 59 H CYS 59 2.494 8.959 6.917
413 HA CYS 59 HA CYS 59 3.238 11.105 5.250
414 HB2 CYS 59 HB2 CYS 59 2.763 8.486 3.768
415 HB3 CYS 59 HB3 CYS 59 2.504 10.044 2.990
416 H ASP 60 H ASP 60 0.978 8.624 6.126
417 HA ASP 60 HA ASP 60 -1.238 8.306 6.058
418 HB2 ASP 60 HB2 ASP 60 -1.350 10.290 7.537
419 HB3 ASP 60 HB3 ASP 60 -1.380 11.353 6.132
420 H ASP 61 H ASP 61 -0.237 7.708 3.865
421 HA ASP 61 HA ASP 61 -2.059 8.720 1.771
422 HB2 ASP 61 HB2 ASP 61 0.522 9.251 1.488
423 HB3 ASP 61 HB3 ASP 61 0.663 7.554 1.080
424 H SER 62 H SER 62 -3.105 7.125 0.647
425 HA SER 62 HA SER 62 -3.113 4.501 1.973
426 HB2 SER 62 HB2 SER 62 -5.293 5.921 0.396
427 HB3 SER 62 HB3 SER 62 -5.482 4.440 1.335
428 HG SER 62 HG SER 62 -5.375 5.561 3.173
429 H TYR 63 H TYR 63 -2.386 2.823 0.862
430 HA TYR 63 HA TYR 63 -2.690 2.620 -2.083
431 HB2 TYR 63 HB2 TYR 63 -0.187 1.829 -0.500
432 HB3 TYR 63 HB3 TYR 63 -0.423 1.602 -2.226
433 HD1 TYR 63 HD1 TYR 63 0.312 4.078 0.418
434 HD2 TYR 63 HD2 TYR 63 -0.141 3.490 -3.780
435 HE1 TYR 63 HE1 TYR 63 1.384 6.248 0.004
436 HE2 TYR 63 HE2 TYR 63 0.941 5.653 -4.195
437 HH TYR 63 HH TYR 63 1.201 7.872 -2.797
438 H HIS 64 H HIS 64 -3.451 0.554 -2.668
439 HA HIS 64 HA HIS 64 -3.938 -1.457 -0.643
440 HB2 HIS 64 HB2 HIS 64 -4.178 -1.551 -3.675
441 HB3 HIS 64 HB3 HIS 64 -4.491 -2.964 -2.662
442 HD2 HIS 64 HD2 HIS 64 -6.411 -1.826 -0.423
443 HE1 HIS 64 HE1 HIS 64 -8.763 -0.610 -3.708
444 HE2 HIS 64 HE2 HIS 64 -8.768 -1.321 -1.272
445 H THR 65 H THR 65 -2.981 -3.508 -0.521
446 HA THR 65 HA THR 65 -0.272 -3.924 -0.785
447 HB THR 65 HB THR 65 -0.901 -6.406 -0.716
448 HG1 THR 65 HG1 THR 65 -2.952 -6.978 -0.988
449 HG21 THR 65 HG21 THR 65 -1.958 -6.336 1.513
450 HG22 THR 65 HG22 THR 65 -2.341 -4.628 1.289
451 HG23 THR 65 HG23 THR 65 -0.658 -5.151 1.396
452 H PHE 66 H PHE 66 -2.853 -4.730 -3.078
453 HA PHE 66 HA PHE 66 -1.058 -5.908 -5.023
454 HB2 PHE 66 HB2 PHE 66 -3.169 -6.344 -6.317
455 HB3 PHE 66 HB3 PHE 66 -3.128 -7.057 -4.715
456 HD1 PHE 66 HD2 PHE 66 -4.741 -4.462 -6.818
457 HD2 PHE 66 HD1 PHE 66 -4.676 -6.315 -2.961
458 HE1 PHE 66 HE2 PHE 66 -6.937 -3.472 -6.294
459 HE2 PHE 66 HE1 PHE 66 -6.868 -5.326 -2.454
460 HZ PHE 66 HZ PHE 66 -8.000 -3.906 -4.117
461 H CYS 67 H CYS 67 -2.537 -2.755 -4.591
462 HA CYS 67 HA CYS 67 -2.508 -1.904 -7.325
463 HB2 CYS 67 HB2 CYS 67 -2.594 -0.325 -4.729
464 HB3 CYS 67 HB3 CYS 67 -2.720 0.421 -6.330
465 H LEU 68 H LEU 68 -0.078 -1.973 -4.818
466 HA LEU 68 HA LEU 68 1.914 -0.442 -6.284
467 HB2 LEU 68 HB2 LEU 68 2.158 -2.342 -3.918
468 HB3 LEU 68 HB3 LEU 68 3.465 -1.336 -4.528
469 HG LEU 68 HG LEU 68 0.868 -0.235 -3.385
470 HD11 LEU 68 HD11 LEU 68 2.151 0.283 -1.370
471 HD12 LEU 68 HD12 LEU 68 3.572 -0.521 -2.042
472 HD13 LEU 68 HD13 LEU 68 2.115 -1.450 -1.672
473 HD21 LEU 68 HD21 LEU 68 3.471 1.170 -4.107
474 HD22 LEU 68 HD22 LEU 68 2.082 1.921 -3.316
475 HD23 LEU 68 HD23 LEU 68 1.932 1.311 -4.962
476 H LEU 69 H LEU 69 3.793 -1.369 -7.315
477 HA LEU 69 HA LEU 69 3.769 -4.294 -7.686
478 HB2 LEU 69 HB2 LEU 69 4.633 -4.086 -9.940
479 HB3 LEU 69 HB3 LEU 69 3.090 -3.292 -9.776
480 HG LEU 69 HG LEU 69 4.708 -1.118 -9.465
481 HD11 LEU 69 HD11 LEU 69 6.560 -1.191 -11.065
482 HD12 LEU 69 HD12 LEU 69 6.268 -2.908 -11.359
483 HD13 LEU 69 HD13 LEU 69 6.807 -2.359 -9.769
484 HD21 LEU 69 HD21 LEU 69 3.814 -2.281 -12.108
485 HD22 LEU 69 HD22 LEU 69 4.263 -0.596 -11.821
486 HD23 LEU 69 HD23 LEU 69 2.849 -1.279 -11.019
487 HA PRO 70 HA PRO 70 5.216 -6.069 -8.091
488 HB2 PRO 70 HB2 PRO 70 6.790 -7.134 -5.747
489 HB3 PRO 70 HB3 PRO 70 6.734 -7.715 -7.425
490 HG2 PRO 70 HG2 PRO 70 8.881 -6.437 -6.547
491 HG3 PRO 70 HG3 PRO 70 8.265 -6.128 -8.188
492 HD2 PRO 70 HD2 PRO 70 7.885 -4.461 -5.697
493 HD3 PRO 70 HD3 PRO 70 8.325 -3.947 -7.346
494 HA PRO 71 HA PRO 71 1.879 -5.601 -5.162
495 HB2 PRO 71 HB2 PRO 71 0.315 -7.775 -5.828
496 HB3 PRO 71 HB3 PRO 71 0.500 -6.361 -6.880
497 HG2 PRO 71 HG2 PRO 71 1.916 -8.999 -7.034
498 HG3 PRO 71 HG3 PRO 71 1.156 -8.054 -8.338
499 HD2 PRO 71 HD2 PRO 71 3.827 -7.989 -7.915
500 HD3 PRO 71 HD3 PRO 71 2.941 -6.556 -8.485
501 H LEU 72 H LEU 72 2.018 -5.907 -3.052
502 HA LEU 72 HA LEU 72 3.118 -8.129 -1.696
503 HB2 LEU 72 HB2 LEU 72 1.153 -6.049 -0.639
504 HB3 LEU 72 HB3 LEU 72 2.192 -7.072 0.340
505 HG LEU 72 HG LEU 72 3.212 -4.949 -1.595
506 HD11 LEU 72 HD11 LEU 72 2.953 -4.776 1.431
507 HD12 LEU 72 HD12 LEU 72 1.967 -3.908 0.252
508 HD13 LEU 72 HD13 LEU 72 3.690 -3.567 0.375
509 HD21 LEU 72 HD21 LEU 72 4.849 -6.730 -1.233
510 HD22 LEU 72 HD22 LEU 72 4.696 -6.558 0.518
511 HD23 LEU 72 HD23 LEU 72 5.379 -5.244 -0.445
512 H THR 73 H THR 73 2.248 -10.104 -1.720
513 HA THR 73 HA THR 73 -0.549 -10.645 -2.238
514 HB THR 73 HB THR 73 0.187 -13.056 -2.022
515 HG1 THR 73 HG1 THR 73 2.257 -13.527 -1.513
516 HG21 THR 73 HG21 THR 73 1.613 -13.078 -4.044
517 HG22 THR 73 HG22 THR 73 1.891 -11.343 -3.881
518 HG23 THR 73 HG23 THR 73 0.270 -11.952 -4.230
519 H SER 74 H SER 74 0.947 -9.679 0.483
520 HA SER 74 HA SER 74 -1.053 -10.659 2.311
521 HB2 SER 74 HB2 SER 74 0.683 -12.508 2.305
522 HB3 SER 74 HB3 SER 74 1.885 -11.336 2.846
523 HG SER 74 HG SER 74 -0.495 -12.078 4.227
524 H ILE 75 H ILE 75 -0.502 -9.713 4.595
525 HA ILE 75 HA ILE 75 -0.023 -6.927 4.510
526 HB ILE 75 HB ILE 75 0.125 -8.795 6.923
527 HG12 ILE 75 HG12 ILE 75 -2.249 -7.181 5.870
528 HG13 ILE 75 HG13 ILE 75 -2.063 -8.924 5.731
529 HG21 ILE 75 HG21 ILE 75 1.196 -6.619 7.395
530 HG22 ILE 75 HG22 ILE 75 -0.293 -6.799 8.321
531 HG23 ILE 75 HG23 ILE 75 -0.271 -5.777 6.882
532 HD11 ILE 75 HD11 ILE 75 -2.380 -7.376 8.296
533 HD12 ILE 75 HD12 ILE 75 -2.170 -9.125 8.166
534 HD13 ILE 75 HD13 ILE 75 -3.604 -8.354 7.490
535 HA PRO 76 HA PRO 76 4.517 -7.058 4.202
536 HB2 PRO 76 HB2 PRO 76 5.024 -4.395 4.794
537 HB3 PRO 76 HB3 PRO 76 4.421 -4.953 3.222
538 HG2 PRO 76 HG2 PRO 76 2.867 -3.832 5.530
539 HG3 PRO 76 HG3 PRO 76 2.754 -3.434 3.800
540 HD2 PRO 76 HD2 PRO 76 0.979 -5.083 4.936
541 HD3 PRO 76 HD3 PRO 76 1.571 -5.386 3.287
542 H LYS 77 H LYS 77 6.473 -6.176 5.555
543 HA LYS 77 HA LYS 77 6.484 -7.536 8.021
544 HB2 LYS 77 HB2 LYS 77 8.483 -5.533 6.887
545 HB3 LYS 77 HB3 LYS 77 8.816 -6.661 8.191
546 HG2 LYS 77 HG2 LYS 77 8.009 -7.587 5.418
547 HG3 LYS 77 HG3 LYS 77 9.687 -7.286 5.862
548 HD2 LYS 77 HD2 LYS 77 7.859 -9.267 7.271
549 HD3 LYS 77 HD3 LYS 77 9.027 -9.694 6.020
550 HE2 LYS 77 HE2 LYS 77 9.666 -8.512 8.746
551 HE3 LYS 77 HE3 LYS 77 9.965 -10.168 8.219
552 HZ1 LYS 77 HZ1 LYS 77 11.495 -9.283 6.540
553 HZ2 LYS 77 HZ2 LYS 77 11.982 -8.900 8.112
554 HZ3 LYS 77 HZ3 LYS 77 11.257 -7.722 7.147
555 H GLY 78 H GLY 78 5.088 -6.723 9.561
556 HA2 GLY 78 HA2 GLY 78 4.321 -5.421 11.278
557 HA3 GLY 78 HA3 GLY 78 5.841 -4.537 11.194
558 H GLU 79 H GLU 79 5.142 -2.434 11.293
559 HA GLU 79 HA GLU 79 2.950 -1.346 9.798
560 HB2 GLU 79 HB2 GLU 79 5.366 0.114 10.964
561 HB3 GLU 79 HB3 GLU 79 3.853 0.860 10.453
562 HG2 GLU 79 HG2 GLU 79 2.648 -0.358 12.230
563 HG3 GLU 79 HG3 GLU 79 4.164 -1.105 12.738
564 H TRP 80 H TRP 80 3.125 0.103 7.943
565 HA TRP 80 HA TRP 80 5.304 -0.733 6.135
566 HB2 TRP 80 HB2 TRP 80 3.151 -1.713 5.500
567 HB3 TRP 80 HB3 TRP 80 2.366 -0.138 5.557
568 HD1 TRP 80 HD1 TRP 80 5.003 -2.058 3.443
569 HE1 TRP 80 HE1 TRP 80 5.026 -1.017 1.096
570 HE3 TRP 80 HE3 TRP 80 1.783 1.785 4.274
571 HZ2 TRP 80 HZ2 TRP 80 3.828 1.154 -0.234
572 HZ3 TRP 80 HZ3 TRP 80 1.253 3.319 2.400
573 HH2 TRP 80 HH2 TRP 80 2.274 2.993 0.198
574 H LEU 81 H LEU 81 6.507 0.797 5.286
575 HA LEU 81 HA LEU 81 5.739 3.640 5.397
576 HB2 LEU 81 HB2 LEU 81 8.466 2.359 4.930
577 HB3 LEU 81 HB3 LEU 81 8.161 4.084 5.000
578 HG LEU 81 HG LEU 81 7.923 2.116 7.312
579 HD11 LEU 81 HD11 LEU 81 10.238 2.674 6.737
580 HD12 LEU 81 HD12 LEU 81 9.793 3.359 8.297
581 HD13 LEU 81 HD13 LEU 81 9.878 4.397 6.870
582 HD21 LEU 81 HD21 LEU 81 6.161 3.789 7.557
583 HD22 LEU 81 HD22 LEU 81 7.324 5.096 7.321
584 HD23 LEU 81 HD23 LEU 81 7.426 4.066 8.752
585 H CYS 82 H CYS 82 5.289 4.682 3.561
586 HA CYS 82 HA CYS 82 5.058 3.443 1.026
587 HB2 CYS 82 HB2 CYS 82 4.585 5.809 0.244
588 HB3 CYS 82 HB3 CYS 82 3.614 5.310 1.627
589 HA PRO 83 HA PRO 83 9.125 4.151 -0.929
590 HB2 PRO 83 HB2 PRO 83 7.603 5.385 -3.224
591 HB3 PRO 83 HB3 PRO 83 8.821 4.089 -3.244
592 HG2 PRO 83 HG2 PRO 83 6.265 3.485 -3.565
593 HG3 PRO 83 HG3 PRO 83 7.302 2.452 -2.549
594 HD2 PRO 83 HD2 PRO 83 5.271 4.514 -1.692
595 HD3 PRO 83 HD3 PRO 83 5.606 2.903 -1.010
596 H ARG 84 H ARG 84 6.782 6.748 -0.599
597 HA ARG 84 HA ARG 84 8.417 9.022 -0.994
598 HB2 ARG 84 HB2 ARG 84 5.997 8.586 0.809
599 HB3 ARG 84 HB3 ARG 84 6.801 10.137 0.701
600 HG2 ARG 84 HG2 ARG 84 4.849 10.263 -0.628
601 HG3 ARG 84 HG3 ARG 84 6.202 10.190 -1.750
602 HD2 ARG 84 HD2 ARG 84 4.694 7.680 -1.009
603 HD3 ARG 84 HD3 ARG 84 4.041 8.791 -2.216
604 HE ARG 84 HE ARG 84 6.776 8.042 -2.723
605 HH11 ARG 84 HH11 ARG 84 3.429 7.044 -3.232
606 HH12 ARG 84 HH12 ARG 84 3.809 6.091 -4.631
607 HH21 ARG 84 HH21 ARG 84 7.231 6.827 -4.574
608 HH22 ARG 84 HH22 ARG 84 5.948 5.975 -5.378
609 H CYS 85 H CYS 85 7.722 7.079 1.927
610 HA CYS 85 HA CYS 85 9.305 8.538 3.789
611 HB2 CYS 85 HB2 CYS 85 8.458 5.611 3.920
612 HB3 CYS 85 HB3 CYS 85 8.962 6.620 5.296
613 H VAL 86 H VAL 86 9.918 5.757 1.755
614 HA VAL 86 HA VAL 86 12.466 5.015 2.765
615 HB VAL 86 HB VAL 86 11.224 4.488 0.018
616 HG11 VAL 86 HG11 VAL 86 12.790 2.582 -0.174
617 HG12 VAL 86 HG12 VAL 86 13.550 3.044 1.350
618 HG13 VAL 86 HG13 VAL 86 13.657 4.113 -0.051
619 HG21 VAL 86 HG21 VAL 86 10.510 2.312 0.935
620 HG22 VAL 86 HG22 VAL 86 9.815 3.644 1.859
621 HG23 VAL 86 HG23 VAL 86 11.184 2.743 2.509
622 H VAL 87 H VAL 87 11.347 7.085 0.116
623 HA VAL 87 HA VAL 87 12.202 8.757 -1.094
624 HB VAL 87 HB VAL 87 14.711 8.621 0.625
625 HG11 VAL 87 HG11 VAL 87 15.230 10.893 -0.208
626 HG12 VAL 87 HG12 VAL 87 13.855 10.799 -1.311
627 HG13 VAL 87 HG13 VAL 87 15.220 9.700 -1.508
628 HG21 VAL 87 HG21 VAL 87 12.734 9.177 1.968
629 HG22 VAL 87 HG22 VAL 87 12.313 10.480 0.855
630 HG23 VAL 87 HG23 VAL 87 13.787 10.587 1.818
631 H GLU 88 H GLU 88 14.698 6.327 -0.469
632 HA GLU 88 HA GLU 88 15.785 4.882 -1.635
633 HB2 GLU 88 HB2 GLU 88 13.603 4.512 -2.842
634 HB3 GLU 88 HB3 GLU 88 14.165 5.627 -4.088
635 HG2 GLU 88 HG2 GLU 88 16.112 4.135 -4.461
636 HG3 GLU 88 HG3 GLU 88 15.447 3.004 -3.298
637 H GLU 89 H GLU 89 17.809 5.001 -2.259
638 HA GLU 89 HA GLU 89 19.043 7.513 -2.621
639 HB2 GLU 89 HB2 GLU 89 20.237 4.730 -2.905
640 HB3 GLU 89 HB3 GLU 89 21.152 6.219 -2.664
641 HG2 GLU 89 HG2 GLU 89 20.189 6.510 -0.441
642 HG3 GLU 89 HG3 GLU 89 19.124 5.127 -0.686
643 H VAL 90 H VAL 90 18.033 5.091 -4.910
644 HA VAL 90 HA VAL 90 19.190 6.637 -7.150
645 HB VAL 90 HB VAL 90 18.256 4.717 -8.608
646 HG11 VAL 90 HG11 VAL 90 20.657 4.956 -8.127
647 HG12 VAL 90 HG12 VAL 90 20.206 3.253 -8.183
648 HG13 VAL 90 HG13 VAL 90 20.470 4.046 -6.626
649 HG21 VAL 90 HG21 VAL 90 17.914 2.514 -7.498
650 HG22 VAL 90 HG22 VAL 90 16.703 3.700 -7.005
651 HG23 VAL 90 HG23 VAL 90 18.034 3.304 -5.921
652 H SER 91 H SER 91 17.889 8.447 -7.024
653 HA SER 91 HA SER 91 14.987 8.289 -7.128
654 HB2 SER 91 HB2 SER 91 16.853 10.690 -7.437
655 HB3 SER 91 HB3 SER 91 15.101 10.759 -7.215
656 HG SER 91 HG SER 91 17.066 9.861 -5.387
657 H LYS 92 H LYS 92 13.769 9.341 -8.851
658 HA LYS 92 HA LYS 92 14.522 8.566 -11.520
659 HB2 LYS 92 HB2 LYS 92 12.181 10.288 -10.549
660 HB3 LYS 92 HB3 LYS 92 12.318 9.544 -12.143
661 HG2 LYS 92 HG2 LYS 92 12.236 7.305 -11.128
662 HG3 LYS 92 HG3 LYS 92 12.137 8.029 -9.518
663 HD2 LYS 92 HD2 LYS 92 9.979 9.084 -10.122
664 HD3 LYS 92 HD3 LYS 92 10.083 8.377 -11.737
665 HE2 LYS 92 HE2 LYS 92 10.048 6.107 -10.701
666 HE3 LYS 92 HE3 LYS 92 9.826 6.865 -9.119
667 HZ1 LYS 92 HZ1 LYS 92 7.754 7.824 -9.906
668 HZ2 LYS 92 HZ2 LYS 92 7.725 6.142 -10.088
669 HZ3 LYS 92 HZ3 LYS 92 7.977 7.133 -11.432
670 HA PRO 93 HA PRO 93 16.624 12.253 -12.991
671 HB2 PRO 93 HB2 PRO 93 15.235 12.848 -15.384
672 HB3 PRO 93 HB3 PRO 93 16.547 11.667 -15.220
673 HG2 PRO 93 HG2 PRO 93 13.592 11.199 -15.191
674 HG3 PRO 93 HG3 PRO 93 14.874 10.254 -15.983
675 HD2 PRO 93 HD2 PRO 93 13.798 9.389 -13.700
676 HD3 PRO 93 HD3 PRO 93 15.551 9.236 -13.969
677 H GLN 94 H GLN 94 16.524 14.426 -12.669
678 HA GLN 94 HA GLN 94 14.245 15.617 -11.450
679 HB2 GLN 94 HB2 GLN 94 16.611 16.201 -10.857
680 HB3 GLN 94 HB3 GLN 94 16.808 16.951 -12.436
681 HG2 GLN 94 HG2 GLN 94 14.942 18.545 -11.807
682 HG3 GLN 94 HG3 GLN 94 14.996 17.858 -10.183
683 HE21 GLN 94 HE21 GLN 94 16.832 18.276 -8.867
684 HE22 GLN 94 HE22 GLN 94 17.934 19.561 -9.226
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