Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588183 | 2mpq RC | 19998 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 0.890 0.591 -0.640
2 HA2 GLY 1 HA2 GLY 1 3.225 0.866 -0.799
3 HA3 GLY 1 HA3 GLY 1 3.037 0.129 0.785
4 H ALA 2 H ALA 2 3.672 -0.555 -2.619
5 HA ALA 2 HA ALA 2 5.256 -2.879 -1.766
6 HB1 ALA 2 HB1 ALA 2 3.314 -2.822 -4.071
7 HB2 ALA 2 HB2 ALA 2 4.472 -4.116 -3.762
8 HB3 ALA 2 HB3 ALA 2 3.187 -3.786 -2.600
9 H CYS 3 H CYS 3 7.245 -2.025 -2.104
10 HA CYS 3 HA CYS 3 8.129 -1.714 -4.812
11 HB2 CYS 3 HB2 CYS 3 9.027 0.604 -4.469
12 HB3 CYS 3 HB3 CYS 3 7.272 0.514 -4.572
13 H LEU 4 H LEU 4 10.534 -0.623 -4.585
14 HA LEU 4 HA LEU 4 11.857 -2.217 -2.492
15 HB2 LEU 4 HB2 LEU 4 12.919 -1.395 -5.190
16 HB3 LEU 4 HB3 LEU 4 13.783 -2.354 -3.990
17 HG LEU 4 HG LEU 4 11.226 -3.250 -5.312
18 HD11 LEU 4 HD11 LEU 4 13.962 -4.241 -6.025
19 HD12 LEU 4 HD12 LEU 4 13.244 -2.859 -6.852
20 HD13 LEU 4 HD13 LEU 4 12.445 -4.430 -6.904
21 HD21 LEU 4 HD21 LEU 4 12.359 -5.494 -4.571
22 HD22 LEU 4 HD22 LEU 4 11.421 -4.539 -3.423
23 HD23 LEU 4 HD23 LEU 4 13.183 -4.451 -3.411
24 H GLY 5 H GLY 5 12.697 -1.032 -0.915
25 HA2 GLY 5 HA2 GLY 5 13.023 1.781 -1.079
26 HA3 GLY 5 HA3 GLY 5 13.593 0.751 0.226
27 H PHE 6 H PHE 6 15.264 2.633 -0.106
28 HA PHE 6 HA PHE 6 17.117 2.416 -2.236
29 HB2 PHE 6 HB2 PHE 6 16.894 4.465 -0.912
30 HB3 PHE 6 HB3 PHE 6 17.468 3.616 0.520
31 HD1 PHE 6 HD2 PHE 6 18.444 4.828 -2.827
32 HD2 PHE 6 HD1 PHE 6 19.771 3.325 0.927
33 HE1 PHE 6 HE2 PHE 6 20.759 5.422 -3.411
34 HE2 PHE 6 HE1 PHE 6 22.088 3.917 0.350
35 HZ PHE 6 HZ PHE 6 22.585 4.966 -1.822
36 H GLY 7 H GLY 7 18.905 1.198 -2.493
37 HA2 GLY 7 HA2 GLY 7 20.713 -0.148 -1.859
38 HA3 GLY 7 HA3 GLY 7 20.062 -0.215 -0.228
39 H LYS 8 H LYS 8 17.823 -0.858 -2.728
40 HA LYS 8 HA LYS 8 17.858 -3.702 -2.002
41 HB2 LYS 8 HB2 LYS 8 15.696 -2.056 -3.331
42 HB3 LYS 8 HB3 LYS 8 15.562 -3.757 -2.903
43 HG2 LYS 8 HG2 LYS 8 16.060 -1.562 -0.907
44 HG3 LYS 8 HG3 LYS 8 14.460 -2.188 -1.313
45 HD2 LYS 8 HD2 LYS 8 16.594 -4.109 -0.510
46 HD3 LYS 8 HD3 LYS 8 15.814 -3.135 0.739
47 HE2 LYS 8 HE2 LYS 8 13.640 -3.971 0.076
48 HE3 LYS 8 HE3 LYS 8 14.362 -4.868 -1.259
49 HZ1 LYS 8 HZ1 LYS 8 15.728 -5.695 0.967
50 HZ2 LYS 8 HZ2 LYS 8 14.527 -6.558 0.148
51 HZ3 LYS 8 HZ3 LYS 8 14.119 -5.602 1.482
52 H SER 9 H SER 9 17.721 -5.322 -3.597
53 HA SER 9 HA SER 9 19.136 -4.672 -6.024
54 HB2 SER 9 HB2 SER 9 18.989 -7.143 -6.437
55 HB3 SER 9 HB3 SER 9 19.739 -6.718 -4.899
56 HG SER 9 HG SER 9 18.066 -7.515 -3.841
57 H CYS 10 H CYS 10 18.017 -3.736 -7.613
58 HA CYS 10 HA CYS 10 15.377 -4.854 -8.298
59 HB2 CYS 10 HB2 CYS 10 14.913 -2.627 -9.342
60 HB3 CYS 10 HB3 CYS 10 15.126 -2.567 -7.595
61 H ASN 11 H ASN 11 14.855 -4.247 -10.718
62 HA ASN 11 HA ASN 11 17.138 -5.207 -12.306
63 HB2 ASN 11 HB2 ASN 11 14.872 -6.505 -12.111
64 HB3 ASN 11 HB3 ASN 11 14.302 -5.311 -13.274
65 HD21 ASN 11 HD21 ASN 11 14.425 -5.942 -15.290
66 HD22 ASN 11 HD22 ASN 11 15.591 -7.032 -15.953
67 HA PRO 12 HA PRO 12 17.255 -1.314 -14.379
68 HB2 PRO 12 HB2 PRO 12 18.678 -2.084 -16.559
69 HB3 PRO 12 HB3 PRO 12 19.406 -1.870 -14.963
70 HG2 PRO 12 HG2 PRO 12 18.526 -4.388 -16.322
71 HG3 PRO 12 HG3 PRO 12 20.001 -4.078 -15.388
72 HD2 PRO 12 HD2 PRO 12 17.861 -5.367 -14.344
73 HD3 PRO 12 HD3 PRO 12 18.926 -4.339 -13.365
74 H SER 13 H SER 13 16.417 -4.205 -16.273
75 HA SER 13 HA SER 13 15.177 -2.786 -18.392
76 HB2 SER 13 HB2 SER 13 16.044 -5.199 -18.408
77 HB3 SER 13 HB3 SER 13 14.529 -5.627 -17.614
78 HG SER 13 HG SER 13 13.419 -4.788 -19.401
79 H ASN 14 H ASN 14 14.130 -3.764 -15.254
80 HA ASN 14 HA ASN 14 11.490 -2.615 -15.803
81 HB2 ASN 14 HB2 ASN 14 11.633 -5.253 -15.765
82 HB3 ASN 14 HB3 ASN 14 11.643 -5.011 -14.021
83 HD21 ASN 14 HD21 ASN 14 9.616 -6.346 -14.524
84 HD22 ASN 14 HD22 ASN 14 8.157 -5.441 -14.716
85 H ASP 15 H ASP 15 12.961 -0.917 -14.710
86 HA ASP 15 HA ASP 15 13.751 -1.003 -12.075
87 HB2 ASP 15 HB2 ASP 15 13.511 1.444 -12.058
88 HB3 ASP 15 HB3 ASP 15 14.246 0.883 -13.557
89 H GLN 16 H GLN 16 12.660 -1.523 -10.308
90 HA GLN 16 HA GLN 16 9.933 -0.491 -9.974
91 HB2 GLN 16 HB2 GLN 16 10.810 -3.315 -9.345
92 HB3 GLN 16 HB3 GLN 16 9.233 -2.630 -8.974
93 HG2 GLN 16 HG2 GLN 16 9.603 -2.180 -11.700
94 HG3 GLN 16 HG3 GLN 16 10.191 -3.817 -11.410
95 HE21 GLN 16 HE21 GLN 16 7.706 -2.541 -12.666
96 HE22 GLN 16 HE22 GLN 16 6.402 -3.444 -11.981
97 H CYS 17 H CYS 17 11.130 1.102 -8.698
98 HA CYS 17 HA CYS 17 11.858 0.066 -6.036
99 HB2 CYS 17 HB2 CYS 17 12.895 2.481 -7.527
100 HB3 CYS 17 HB3 CYS 17 13.219 2.178 -5.823
101 H CYS 18 H CYS 18 11.820 2.236 -4.501
102 HA CYS 18 HA CYS 18 8.995 2.865 -4.360
103 HB2 CYS 18 HB2 CYS 18 11.305 3.496 -2.514
104 HB3 CYS 18 HB3 CYS 18 9.635 3.954 -2.194
105 H LYS 19 H LYS 19 8.340 4.438 -5.694
106 HA LYS 19 HA LYS 19 9.951 6.597 -6.558
107 HB2 LYS 19 HB2 LYS 19 6.933 6.481 -6.555
108 HB3 LYS 19 HB3 LYS 19 7.957 7.461 -7.596
109 HG2 LYS 19 HG2 LYS 19 7.909 4.451 -7.608
110 HG3 LYS 19 HG3 LYS 19 6.990 5.474 -8.714
111 HD2 LYS 19 HD2 LYS 19 9.234 6.533 -9.321
112 HD3 LYS 19 HD3 LYS 19 9.972 5.162 -8.489
113 HE2 LYS 19 HE2 LYS 19 9.900 4.350 -10.627
114 HE3 LYS 19 HE3 LYS 19 8.344 3.780 -10.026
115 HZ1 LYS 19 HZ1 LYS 19 7.268 5.035 -11.489
116 HZ2 LYS 19 HZ2 LYS 19 8.752 5.294 -12.258
117 HZ3 LYS 19 HZ3 LYS 19 8.180 6.412 -11.125
118 H SER 20 H SER 20 7.695 6.189 -3.906
119 HA SER 20 HA SER 20 7.258 8.837 -3.194
120 HB2 SER 20 HB2 SER 20 7.272 6.251 -1.695
121 HB3 SER 20 HB3 SER 20 7.189 7.755 -0.777
122 HG SER 20 HG SER 20 5.262 6.512 -2.210
123 H SER 21 H SER 21 9.998 6.739 -2.526
124 HA SER 21 HA SER 21 11.286 8.828 -0.939
125 HB2 SER 21 HB2 SER 21 11.753 5.905 -1.354
126 HB3 SER 21 HB3 SER 21 13.116 6.913 -0.870
127 HG SER 21 HG SER 21 12.286 6.462 1.041
128 H SER 22 H SER 22 10.843 8.788 -3.962
129 HA SER 22 HA SER 22 11.957 9.363 -5.865
130 HB2 SER 22 HB2 SER 22 13.550 10.671 -3.686
131 HB3 SER 22 HB3 SER 22 14.104 10.776 -5.357
132 HG SER 22 HG SER 22 11.883 11.539 -5.802
133 H LEU 23 H LEU 23 12.339 6.821 -5.590
134 HA LEU 23 HA LEU 23 15.236 6.333 -5.773
135 HB2 LEU 23 HB2 LEU 23 12.963 4.457 -5.152
136 HB3 LEU 23 HB3 LEU 23 14.628 3.939 -5.412
137 HG LEU 23 HG LEU 23 13.625 5.690 -3.168
138 HD11 LEU 23 HD11 LEU 23 13.158 3.161 -3.185
139 HD12 LEU 23 HD12 LEU 23 13.904 3.867 -1.751
140 HD13 LEU 23 HD13 LEU 23 14.893 2.988 -2.917
141 HD21 LEU 23 HD21 LEU 23 15.862 6.354 -3.870
142 HD22 LEU 23 HD22 LEU 23 16.406 4.680 -3.757
143 HD23 LEU 23 HD23 LEU 23 15.908 5.545 -2.303
144 H ALA 24 H ALA 24 15.900 4.665 -7.354
145 HA ALA 24 HA ALA 24 14.162 4.007 -9.528
146 HB1 ALA 24 HB1 ALA 24 16.133 5.371 -10.953
147 HB2 ALA 24 HB2 ALA 24 14.437 5.824 -10.778
148 HB3 ALA 24 HB3 ALA 24 15.643 6.476 -9.669
149 H CYS 25 H CYS 25 15.113 2.557 -11.018
150 HA CYS 25 HA CYS 25 17.506 1.246 -9.967
151 HB2 CYS 25 HB2 CYS 25 15.226 0.089 -10.573
152 HB3 CYS 25 HB3 CYS 25 15.867 0.133 -12.212
153 H SER 26 H SER 26 19.388 1.806 -10.821
154 HA SER 26 HA SER 26 19.490 2.841 -13.553
155 HB2 SER 26 HB2 SER 26 20.706 3.725 -11.283
156 HB3 SER 26 HB3 SER 26 21.985 2.729 -11.979
157 HG SER 26 HG SER 26 20.576 4.703 -13.445
158 H THR 27 H THR 27 20.644 1.904 -15.186
159 HA THR 27 HA THR 27 21.160 -0.912 -14.950
160 HB THR 27 HB THR 27 21.887 0.795 -17.324
161 HG1 THR 27 HG1 THR 27 19.724 0.393 -18.039
162 HG21 THR 27 HG21 THR 27 21.481 -2.093 -16.778
163 HG22 THR 27 HG22 THR 27 22.616 -1.295 -17.867
164 HG23 THR 27 HG23 THR 27 20.927 -1.482 -18.336
165 H LYS 28 H LYS 28 22.929 1.678 -14.035
166 HA LYS 28 HA LYS 28 25.517 0.672 -14.927
167 HB2 LYS 28 HB2 LYS 28 24.955 3.133 -14.898
168 HB3 LYS 28 HB3 LYS 28 24.958 3.043 -13.142
169 HG2 LYS 28 HG2 LYS 28 27.079 3.815 -13.608
170 HG3 LYS 28 HG3 LYS 28 27.340 2.078 -13.433
171 HD2 LYS 28 HD2 LYS 28 26.785 2.232 -16.075
172 HD3 LYS 28 HD3 LYS 28 27.552 3.800 -15.815
173 HE2 LYS 28 HE2 LYS 28 28.915 1.511 -14.569
174 HE3 LYS 28 HE3 LYS 28 28.894 1.502 -16.331
175 HZ1 LYS 28 HZ1 LYS 28 30.322 3.198 -16.428
176 HZ2 LYS 28 HZ2 LYS 28 30.680 2.831 -14.816
177 HZ3 LYS 28 HZ3 LYS 28 29.570 4.055 -15.178
178 H HIS 29 H HIS 29 23.843 1.372 -11.865
179 HA HIS 29 HA HIS 29 25.817 -0.279 -10.456
180 HB2 HIS 29 HB2 HIS 29 23.753 1.671 -9.418
181 HB3 HIS 29 HB3 HIS 29 24.808 0.705 -8.391
182 HD1 HIS 29 HD1 HIS 29 27.388 1.139 -10.211
183 HD2 HIS 29 HD2 HIS 29 24.881 4.104 -8.733
184 HE1 HIS 29 HE1 HIS 29 28.778 3.234 -10.166
185 H LYS 30 H LYS 30 22.555 -0.237 -11.531
186 HA LYS 30 HA LYS 30 20.850 -1.736 -11.390
187 HB2 LYS 30 HB2 LYS 30 23.258 -3.409 -10.824
188 HB3 LYS 30 HB3 LYS 30 21.668 -4.116 -10.568
189 HG2 LYS 30 HG2 LYS 30 21.232 -3.186 -12.991
190 HG3 LYS 30 HG3 LYS 30 22.992 -3.282 -13.093
191 HD2 LYS 30 HD2 LYS 30 21.199 -5.564 -12.267
192 HD3 LYS 30 HD3 LYS 30 21.827 -5.326 -13.900
193 HE2 LYS 30 HE2 LYS 30 24.105 -5.506 -13.067
194 HE3 LYS 30 HE3 LYS 30 23.507 -5.672 -11.417
195 HZ1 LYS 30 HZ1 LYS 30 23.698 -7.641 -13.504
196 HZ2 LYS 30 HZ2 LYS 30 22.190 -7.627 -12.738
197 HZ3 LYS 30 HZ3 LYS 30 23.599 -7.848 -11.827
198 H TRP 31 H TRP 31 20.469 -0.139 -9.471
199 HA TRP 31 HA TRP 31 19.333 -1.635 -7.367
200 HB2 TRP 31 HB2 TRP 31 20.715 -1.138 -5.521
201 HB3 TRP 31 HB3 TRP 31 21.827 -1.663 -6.782
202 HD1 TRP 31 HD1 TRP 31 22.041 1.092 -8.382
203 HE1 TRP 31 HE1 TRP 31 23.333 3.055 -7.333
204 HE3 TRP 31 HE3 TRP 31 21.858 -0.344 -3.479
205 HZ2 TRP 31 HZ2 TRP 31 24.165 3.885 -4.766
206 HZ3 TRP 31 HZ3 TRP 31 22.927 1.090 -1.789
207 HH2 TRP 31 HH2 TRP 31 24.057 3.160 -2.422
208 H CYS 32 H CYS 32 18.165 -0.309 -5.848
209 HA CYS 32 HA CYS 32 17.019 1.978 -7.029
210 HB2 CYS 32 HB2 CYS 32 16.902 1.068 -4.145
211 HB3 CYS 32 HB3 CYS 32 15.825 2.243 -4.894
212 H LYS 33 H LYS 33 18.514 3.558 -7.474
213 HA LYS 33 HA LYS 33 20.060 4.656 -5.236
214 HB2 LYS 33 HB2 LYS 33 21.226 5.955 -7.060
215 HB3 LYS 33 HB3 LYS 33 21.437 4.210 -7.123
216 HG2 LYS 33 HG2 LYS 33 20.279 3.998 -9.058
217 HG3 LYS 33 HG3 LYS 33 19.199 5.345 -8.689
218 HD2 LYS 33 HD2 LYS 33 20.624 5.938 -10.549
219 HD3 LYS 33 HD3 LYS 33 21.057 6.912 -9.142
220 HE2 LYS 33 HE2 LYS 33 23.062 5.832 -8.843
221 HE3 LYS 33 HE3 LYS 33 22.499 4.348 -9.610
222 HZ1 LYS 33 HZ1 LYS 33 23.929 5.219 -11.172
223 HZ2 LYS 33 HZ2 LYS 33 23.484 6.822 -10.867
224 HZ3 LYS 33 HZ3 LYS 33 22.439 5.802 -11.721
225 H TYR 34 H TYR 34 19.799 6.717 -4.507
226 HA TYR 34 HA TYR 34 17.314 7.963 -4.774
227 HB2 TYR 34 HB2 TYR 34 19.961 8.820 -3.665
228 HB3 TYR 34 HB3 TYR 34 18.660 9.996 -3.808
229 HD1 TYR 34 HD1 TYR 34 16.292 8.935 -2.927
230 HD2 TYR 34 HD2 TYR 34 20.187 7.872 -1.584
231 HE1 TYR 34 HE1 TYR 34 15.338 8.144 -0.802
232 HE2 TYR 34 HE2 TYR 34 19.243 7.077 0.544
233 HH TYR 34 HH TYR 34 16.248 6.287 1.046
234 H GLU 35 H GLU 35 16.475 9.207 -6.306
235 HA GLU 35 HA GLU 35 18.046 9.986 -8.580
236 HB2 GLU 35 HB2 GLU 35 15.164 10.108 -7.825
237 HB3 GLU 35 HB3 GLU 35 15.731 11.182 -9.096
238 HG2 GLU 35 HG2 GLU 35 16.227 9.451 -10.529
239 HG3 GLU 35 HG3 GLU 35 16.390 8.278 -9.223
240 H LEU 36 H LEU 36 19.427 11.631 -8.316
241 HA LEU 36 HA LEU 36 18.788 13.886 -6.625
242 HB2 LEU 36 HB2 LEU 36 21.161 13.008 -8.205
243 HB3 LEU 36 HB3 LEU 36 21.041 14.692 -7.696
244 HG LEU 36 HG LEU 36 20.639 13.566 -5.331
245 HD11 LEU 36 HD11 LEU 36 21.554 11.385 -7.020
246 HD12 LEU 36 HD12 LEU 36 20.857 11.350 -5.401
247 HD13 LEU 36 HD13 LEU 36 22.584 11.640 -5.611
248 HD21 LEU 36 HD21 LEU 36 22.651 14.423 -4.835
249 HD22 LEU 36 HD22 LEU 36 22.659 14.945 -6.520
250 HD23 LEU 36 HD23 LEU 36 23.477 13.453 -6.055
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 1.377 -0.107 -2.067
3 HA3 GLY 1 HA3 GLY 1 2.585 0.946 -1.346
4 H ALA 2 H ALA 2 3.494 -0.682 -3.225
5 HA ALA 2 HA ALA 2 5.148 -2.550 -1.711
6 HB1 ALA 2 HB1 ALA 2 4.007 -4.324 -2.423
7 HB2 ALA 2 HB2 ALA 2 3.066 -3.358 -3.560
8 HB3 ALA 2 HB3 ALA 2 4.651 -3.976 -4.027
9 H CYS 3 H CYS 3 7.090 -1.671 -2.082
10 HA CYS 3 HA CYS 3 8.053 -1.558 -4.819
11 HB2 CYS 3 HB2 CYS 3 8.993 0.739 -4.482
12 HB3 CYS 3 HB3 CYS 3 7.236 0.690 -4.585
13 H LEU 4 H LEU 4 10.479 -0.517 -4.567
14 HA LEU 4 HA LEU 4 11.743 -2.131 -2.451
15 HB2 LEU 4 HB2 LEU 4 12.853 -1.355 -5.144
16 HB3 LEU 4 HB3 LEU 4 13.678 -2.330 -3.929
17 HG LEU 4 HG LEU 4 11.115 -3.164 -5.278
18 HD11 LEU 4 HD11 LEU 4 13.850 -4.202 -5.941
19 HD12 LEU 4 HD12 LEU 4 13.130 -2.848 -6.811
20 HD13 LEU 4 HD13 LEU 4 12.339 -4.423 -6.823
21 HD21 LEU 4 HD21 LEU 4 12.175 -5.433 -4.503
22 HD22 LEU 4 HD22 LEU 4 11.243 -4.444 -3.379
23 HD23 LEU 4 HD23 LEU 4 13.006 -4.404 -3.337
24 H GLY 5 H GLY 5 12.647 -0.978 -0.888
25 HA2 GLY 5 HA2 GLY 5 13.018 1.833 -1.053
26 HA3 GLY 5 HA3 GLY 5 13.571 0.793 0.251
27 H PHE 6 H PHE 6 15.274 2.649 -0.097
28 HA PHE 6 HA PHE 6 17.117 2.389 -2.229
29 HB2 PHE 6 HB2 PHE 6 16.933 4.444 -0.903
30 HB3 PHE 6 HB3 PHE 6 17.507 3.586 0.522
31 HD1 PHE 6 HD2 PHE 6 18.470 4.778 -2.836
32 HD2 PHE 6 HD1 PHE 6 19.808 3.263 0.909
33 HE1 PHE 6 HE2 PHE 6 20.788 5.334 -3.443
34 HE2 PHE 6 HE1 PHE 6 22.129 3.818 0.309
35 HZ PHE 6 HZ PHE 6 22.621 4.854 -1.870
36 H GLY 7 H GLY 7 18.853 1.110 -2.502
37 HA2 GLY 7 HA2 GLY 7 20.644 -0.264 -1.871
38 HA3 GLY 7 HA3 GLY 7 20.005 -0.307 -0.234
39 H LYS 8 H LYS 8 17.732 -0.916 -2.711
40 HA LYS 8 HA LYS 8 17.701 -3.752 -1.961
41 HB2 LYS 8 HB2 LYS 8 15.586 -2.058 -3.304
42 HB3 LYS 8 HB3 LYS 8 15.406 -3.756 -2.883
43 HG2 LYS 8 HG2 LYS 8 15.920 -1.553 -0.897
44 HG3 LYS 8 HG3 LYS 8 14.328 -2.210 -1.282
45 HD2 LYS 8 HD2 LYS 8 16.641 -3.836 -0.229
46 HD3 LYS 8 HD3 LYS 8 15.341 -3.182 0.770
47 HE2 LYS 8 HE2 LYS 8 14.437 -5.222 0.392
48 HE3 LYS 8 HE3 LYS 8 13.875 -4.439 -1.084
49 HZ1 LYS 8 HZ1 LYS 8 15.018 -5.898 -2.266
50 HZ2 LYS 8 HZ2 LYS 8 15.521 -6.676 -0.851
51 HZ3 LYS 8 HZ3 LYS 8 16.463 -5.437 -1.515
52 H SER 9 H SER 9 17.555 -5.388 -3.530
53 HA SER 9 HA SER 9 18.987 -4.805 -5.958
54 HB2 SER 9 HB2 SER 9 17.856 -7.361 -4.810
55 HB3 SER 9 HB3 SER 9 18.711 -7.291 -6.350
56 HG SER 9 HG SER 9 20.503 -7.293 -5.274
57 H CYS 10 H CYS 10 17.905 -3.846 -7.560
58 HA CYS 10 HA CYS 10 15.240 -4.894 -8.256
59 HB2 CYS 10 HB2 CYS 10 14.842 -2.662 -9.314
60 HB3 CYS 10 HB3 CYS 10 15.051 -2.595 -7.567
61 H ASN 11 H ASN 11 14.752 -4.288 -10.683
62 HA ASN 11 HA ASN 11 17.021 -5.314 -12.250
63 HB2 ASN 11 HB2 ASN 11 14.739 -6.571 -12.062
64 HB3 ASN 11 HB3 ASN 11 14.182 -5.366 -13.219
65 HD21 ASN 11 HD21 ASN 11 14.306 -5.969 -15.245
66 HD22 ASN 11 HD22 ASN 11 15.443 -7.084 -15.914
67 HA PRO 12 HA PRO 12 17.232 -1.438 -14.349
68 HB2 PRO 12 HB2 PRO 12 18.659 -2.252 -16.510
69 HB3 PRO 12 HB3 PRO 12 19.377 -2.040 -14.909
70 HG2 PRO 12 HG2 PRO 12 18.460 -4.551 -16.256
71 HG3 PRO 12 HG3 PRO 12 19.933 -4.262 -15.312
72 HD2 PRO 12 HD2 PRO 12 17.759 -5.502 -14.278
73 HD3 PRO 12 HD3 PRO 12 18.836 -4.486 -13.297
74 H SER 13 H SER 13 16.355 -4.326 -16.227
75 HA SER 13 HA SER 13 15.167 -2.907 -18.373
76 HB2 SER 13 HB2 SER 13 15.969 -5.350 -18.329
77 HB3 SER 13 HB3 SER 13 14.420 -5.715 -17.569
78 HG SER 13 HG SER 13 14.788 -5.658 -20.070
79 H ASN 14 H ASN 14 14.064 -3.817 -15.232
80 HA ASN 14 HA ASN 14 11.465 -2.597 -15.818
81 HB2 ASN 14 HB2 ASN 14 11.519 -5.234 -15.771
82 HB3 ASN 14 HB3 ASN 14 11.531 -4.992 -14.026
83 HD21 ASN 14 HD21 ASN 14 9.464 -6.312 -15.107
84 HD22 ASN 14 HD22 ASN 14 8.035 -5.341 -15.084
85 H ASP 15 H ASP 15 12.937 -0.922 -14.720
86 HA ASP 15 HA ASP 15 13.721 -1.012 -12.083
87 HB2 ASP 15 HB2 ASP 15 13.512 1.438 -12.073
88 HB3 ASP 15 HB3 ASP 15 14.243 0.863 -13.569
89 H GLN 16 H GLN 16 12.626 -1.491 -10.307
90 HA GLN 16 HA GLN 16 9.911 -0.427 -9.984
91 HB2 GLN 16 HB2 GLN 16 10.731 -3.258 -9.310
92 HB3 GLN 16 HB3 GLN 16 9.152 -2.542 -9.012
93 HG2 GLN 16 HG2 GLN 16 9.662 -2.157 -11.737
94 HG3 GLN 16 HG3 GLN 16 10.163 -3.808 -11.375
95 HE21 GLN 16 HE21 GLN 16 7.551 -1.757 -10.136
96 HE22 GLN 16 HE22 GLN 16 6.274 -2.858 -10.513
97 H CYS 17 H CYS 17 11.133 1.148 -8.709
98 HA CYS 17 HA CYS 17 11.831 0.106 -6.041
99 HB2 CYS 17 HB2 CYS 17 12.926 2.498 -7.529
100 HB3 CYS 17 HB3 CYS 17 13.247 2.175 -5.828
101 H CYS 18 H CYS 18 11.839 2.286 -4.518
102 HA CYS 18 HA CYS 18 9.028 2.978 -4.387
103 HB2 CYS 18 HB2 CYS 18 11.350 3.564 -2.541
104 HB3 CYS 18 HB3 CYS 18 9.694 4.072 -2.228
105 H LYS 19 H LYS 19 8.421 4.549 -5.750
106 HA LYS 19 HA LYS 19 10.082 6.674 -6.605
107 HB2 LYS 19 HB2 LYS 19 7.063 6.551 -6.656
108 HB3 LYS 19 HB3 LYS 19 8.087 7.585 -7.644
109 HG2 LYS 19 HG2 LYS 19 8.072 4.576 -7.755
110 HG3 LYS 19 HG3 LYS 19 7.197 5.636 -8.863
111 HD2 LYS 19 HD2 LYS 19 9.473 6.716 -9.327
112 HD3 LYS 19 HD3 LYS 19 10.165 5.299 -8.534
113 HE2 LYS 19 HE2 LYS 19 9.166 3.836 -10.151
114 HE3 LYS 19 HE3 LYS 19 8.261 5.168 -10.867
115 HZ1 LYS 19 HZ1 LYS 19 9.988 5.719 -12.126
116 HZ2 LYS 19 HZ2 LYS 19 10.715 4.264 -11.663
117 HZ3 LYS 19 HZ3 LYS 19 11.066 5.689 -10.822
118 H SER 20 H SER 20 7.824 6.302 -3.961
119 HA SER 20 HA SER 20 7.405 8.971 -3.282
120 HB2 SER 20 HB2 SER 20 6.205 7.026 -2.280
121 HB3 SER 20 HB3 SER 20 7.659 6.648 -1.357
122 HG SER 20 HG SER 20 6.963 8.035 0.043
123 H SER 21 H SER 21 10.110 6.841 -2.608
124 HA SER 21 HA SER 21 11.409 8.911 -0.999
125 HB2 SER 21 HB2 SER 21 12.494 6.158 -1.592
126 HB3 SER 21 HB3 SER 21 12.927 7.236 -0.265
127 HG SER 21 HG SER 21 11.513 5.567 0.409
128 H SER 22 H SER 22 11.008 8.881 -4.017
129 HA SER 22 HA SER 22 12.159 9.414 -5.910
130 HB2 SER 22 HB2 SER 22 12.827 11.229 -4.103
131 HB3 SER 22 HB3 SER 22 14.417 10.484 -4.267
132 HG SER 22 HG SER 22 13.724 12.325 -5.741
133 H LEU 23 H LEU 23 12.465 6.870 -5.653
134 HA LEU 23 HA LEU 23 15.351 6.304 -5.805
135 HB2 LEU 23 HB2 LEU 23 13.033 4.493 -5.162
136 HB3 LEU 23 HB3 LEU 23 14.682 3.929 -5.420
137 HG LEU 23 HG LEU 23 13.733 5.731 -3.194
138 HD11 LEU 23 HD11 LEU 23 13.942 3.919 -1.761
139 HD12 LEU 23 HD12 LEU 23 14.930 3.003 -2.899
140 HD13 LEU 23 HD13 LEU 23 13.203 3.206 -3.195
141 HD21 LEU 23 HD21 LEU 23 16.482 4.642 -3.792
142 HD22 LEU 23 HD22 LEU 23 16.018 5.510 -2.328
143 HD23 LEU 23 HD23 LEU 23 15.983 6.331 -3.890
144 H ALA 24 H ALA 24 15.981 4.616 -7.373
145 HA ALA 24 HA ALA 24 14.229 3.964 -9.536
146 HB1 ALA 24 HB1 ALA 24 16.359 6.045 -10.002
147 HB2 ALA 24 HB2 ALA 24 15.517 5.176 -11.286
148 HB3 ALA 24 HB3 ALA 24 14.617 6.235 -10.200
149 H CYS 25 H CYS 25 15.152 2.483 -11.011
150 HA CYS 25 HA CYS 25 17.520 1.138 -9.948
151 HB2 CYS 25 HB2 CYS 25 15.221 0.023 -10.569
152 HB3 CYS 25 HB3 CYS 25 15.877 0.048 -12.202
153 H SER 26 H SER 26 19.424 1.604 -10.804
154 HA SER 26 HA SER 26 19.557 2.624 -13.547
155 HB2 SER 26 HB2 SER 26 20.777 3.498 -11.242
156 HB3 SER 26 HB3 SER 26 22.056 2.557 -12.010
157 HG SER 26 HG SER 26 22.246 4.049 -13.476
158 H THR 27 H THR 27 20.739 1.654 -15.143
159 HA THR 27 HA THR 27 21.241 -1.159 -14.842
160 HB THR 27 HB THR 27 22.091 0.411 -17.253
161 HG1 THR 27 HG1 THR 27 19.432 -0.264 -16.487
162 HG21 THR 27 HG21 THR 27 22.601 -1.818 -17.576
163 HG22 THR 27 HG22 THR 27 20.979 -1.736 -18.264
164 HG23 THR 27 HG23 THR 27 21.218 -2.380 -16.640
165 H LYS 28 H LYS 28 22.999 1.423 -13.921
166 HA LYS 28 HA LYS 28 25.600 0.438 -14.784
167 HB2 LYS 28 HB2 LYS 28 24.535 2.951 -13.745
168 HB3 LYS 28 HB3 LYS 28 26.056 2.494 -12.989
169 HG2 LYS 28 HG2 LYS 28 27.247 2.711 -14.925
170 HG3 LYS 28 HG3 LYS 28 25.855 2.357 -15.951
171 HD2 LYS 28 HD2 LYS 28 26.160 4.625 -16.302
172 HD3 LYS 28 HD3 LYS 28 24.935 4.607 -15.031
173 HE2 LYS 28 HE2 LYS 28 26.551 5.102 -13.357
174 HE3 LYS 28 HE3 LYS 28 27.886 4.828 -14.476
175 HZ1 LYS 28 HZ1 LYS 28 25.928 7.056 -14.542
176 HZ2 LYS 28 HZ2 LYS 28 27.048 6.751 -15.772
177 HZ3 LYS 28 HZ3 LYS 28 27.586 7.162 -14.222
178 H HIS 29 H HIS 29 23.883 1.063 -11.730
179 HA HIS 29 HA HIS 29 25.829 -0.653 -10.350
180 HB2 HIS 29 HB2 HIS 29 23.892 1.424 -9.322
181 HB3 HIS 29 HB3 HIS 29 24.786 0.337 -8.263
182 HD1 HIS 29 HD1 HIS 29 27.501 0.515 -9.889
183 HD2 HIS 29 HD2 HIS 29 25.216 3.727 -8.576
184 HE1 HIS 29 HE1 HIS 29 29.093 2.456 -9.741
185 H LYS 30 H LYS 30 22.591 -0.505 -11.445
186 HA LYS 30 HA LYS 30 20.833 -1.942 -11.317
187 HB2 LYS 30 HB2 LYS 30 23.174 -3.692 -10.706
188 HB3 LYS 30 HB3 LYS 30 21.558 -4.343 -10.465
189 HG2 LYS 30 HG2 LYS 30 21.184 -3.420 -12.900
190 HG3 LYS 30 HG3 LYS 30 22.941 -3.572 -12.979
191 HD2 LYS 30 HD2 LYS 30 21.169 -5.818 -12.050
192 HD3 LYS 30 HD3 LYS 30 21.576 -5.577 -13.751
193 HE2 LYS 30 HE2 LYS 30 23.241 -7.023 -13.146
194 HE3 LYS 30 HE3 LYS 30 24.031 -5.486 -12.797
195 HZ1 LYS 30 HZ1 LYS 30 22.484 -6.822 -10.685
196 HZ2 LYS 30 HZ2 LYS 30 23.808 -5.778 -10.547
197 HZ3 LYS 30 HZ3 LYS 30 24.041 -7.378 -11.044
198 H TRP 31 H TRP 31 20.479 -0.319 -9.416
199 HA TRP 31 HA TRP 31 19.273 -1.769 -7.313
200 HB2 TRP 31 HB2 TRP 31 20.636 -1.248 -5.450
201 HB3 TRP 31 HB3 TRP 31 21.742 -1.856 -6.679
202 HD1 TRP 31 HD1 TRP 31 22.020 0.874 -8.356
203 HE1 TRP 31 HE1 TRP 31 23.396 2.806 -7.357
204 HE3 TRP 31 HE3 TRP 31 21.868 -0.485 -3.430
205 HZ2 TRP 31 HZ2 TRP 31 24.298 3.642 -4.816
206 HZ3 TRP 31 HZ3 TRP 31 23.013 0.935 -1.779
207 HH2 TRP 31 HH2 TRP 31 24.203 2.955 -2.460
208 H CYS 32 H CYS 32 18.127 -0.393 -5.812
209 HA CYS 32 HA CYS 32 17.035 1.897 -7.042
210 HB2 CYS 32 HB2 CYS 32 16.869 1.042 -4.144
211 HB3 CYS 32 HB3 CYS 32 15.817 2.214 -4.932
212 H LYS 33 H LYS 33 18.591 3.422 -7.497
213 HA LYS 33 HA LYS 33 20.126 4.528 -5.257
214 HB2 LYS 33 HB2 LYS 33 21.351 5.766 -7.078
215 HB3 LYS 33 HB3 LYS 33 21.507 4.015 -7.130
216 HG2 LYS 33 HG2 LYS 33 20.369 3.830 -9.077
217 HG3 LYS 33 HG3 LYS 33 19.320 5.205 -8.724
218 HD2 LYS 33 HD2 LYS 33 20.718 5.850 -10.535
219 HD3 LYS 33 HD3 LYS 33 21.319 6.688 -9.102
220 HE2 LYS 33 HE2 LYS 33 23.212 5.373 -8.966
221 HE3 LYS 33 HE3 LYS 33 22.476 4.040 -9.854
222 HZ1 LYS 33 HZ1 LYS 33 23.172 4.865 -11.787
223 HZ2 LYS 33 HZ2 LYS 33 24.200 5.860 -10.884
224 HZ3 LYS 33 HZ3 LYS 33 22.701 6.445 -11.406
225 H TYR 34 H TYR 34 19.977 6.655 -4.632
226 HA TYR 34 HA TYR 34 17.507 7.937 -4.868
227 HB2 TYR 34 HB2 TYR 34 20.212 8.807 -3.908
228 HB3 TYR 34 HB3 TYR 34 18.907 9.982 -4.035
229 HD1 TYR 34 HD1 TYR 34 16.565 8.796 -3.063
230 HD2 TYR 34 HD2 TYR 34 20.551 8.104 -1.745
231 HE1 TYR 34 HE1 TYR 34 15.710 8.090 -0.868
232 HE2 TYR 34 HE2 TYR 34 19.707 7.395 0.453
233 HH TYR 34 HH TYR 34 16.560 6.582 1.040
234 H GLU 35 H GLU 35 16.635 9.105 -6.438
235 HA GLU 35 HA GLU 35 18.225 9.845 -8.741
236 HB2 GLU 35 HB2 GLU 35 15.301 9.813 -8.101
237 HB3 GLU 35 HB3 GLU 35 15.877 10.767 -9.461
238 HG2 GLU 35 HG2 GLU 35 17.039 8.612 -10.223
239 HG3 GLU 35 HG3 GLU 35 15.975 7.802 -9.073
240 H LEU 36 H LEU 36 19.433 11.624 -8.519
241 HA LEU 36 HA LEU 36 18.399 13.919 -7.046
242 HB2 LEU 36 HB2 LEU 36 21.084 13.155 -8.129
243 HB3 LEU 36 HB3 LEU 36 20.746 14.819 -7.658
244 HG LEU 36 HG LEU 36 20.033 13.722 -5.391
245 HD11 LEU 36 HD11 LEU 36 21.624 11.768 -4.959
246 HD12 LEU 36 HD12 LEU 36 21.681 11.593 -6.713
247 HD13 LEU 36 HD13 LEU 36 20.145 11.437 -5.861
248 HD21 LEU 36 HD21 LEU 36 22.938 13.917 -6.179
249 HD22 LEU 36 HD22 LEU 36 22.271 14.052 -4.551
250 HD23 LEU 36 HD23 LEU 36 21.910 15.287 -5.759
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.586 0.236 0.615
2 HA2 GLY 1 HA2 GLY 1 1.042 -0.668 -1.586
3 HA3 GLY 1 HA3 GLY 1 2.245 0.491 -2.132
4 H ALA 2 H ALA 2 3.567 -0.856 -3.259
5 HA ALA 2 HA ALA 2 5.220 -2.649 -1.675
6 HB1 ALA 2 HB1 ALA 2 4.537 -3.982 -4.144
7 HB2 ALA 2 HB2 ALA 2 4.482 -4.583 -2.487
8 HB3 ALA 2 HB3 ALA 2 3.109 -3.697 -3.149
9 H CYS 3 H CYS 3 7.133 -1.714 -2.059
10 HA CYS 3 HA CYS 3 8.102 -1.647 -4.804
11 HB2 CYS 3 HB2 CYS 3 9.025 0.665 -4.471
12 HB3 CYS 3 HB3 CYS 3 7.270 0.593 -4.594
13 H LEU 4 H LEU 4 10.517 -0.585 -4.569
14 HA LEU 4 HA LEU 4 11.803 -2.172 -2.445
15 HB2 LEU 4 HB2 LEU 4 12.900 -1.394 -5.143
16 HB3 LEU 4 HB3 LEU 4 13.736 -2.356 -3.926
17 HG LEU 4 HG LEU 4 11.180 -3.221 -5.267
18 HD11 LEU 4 HD11 LEU 4 12.413 -4.470 -6.812
19 HD12 LEU 4 HD12 LEU 4 13.924 -4.235 -5.933
20 HD13 LEU 4 HD13 LEU 4 13.192 -2.887 -6.804
21 HD21 LEU 4 HD21 LEU 4 11.328 -4.493 -3.363
22 HD22 LEU 4 HD22 LEU 4 13.090 -4.435 -3.327
23 HD23 LEU 4 HD23 LEU 4 12.266 -5.477 -4.487
24 H GLY 5 H GLY 5 12.642 -0.976 -0.876
25 HA2 GLY 5 HA2 GLY 5 13.005 1.829 -1.069
26 HA3 GLY 5 HA3 GLY 5 13.555 0.806 0.250
27 H PHE 6 H PHE 6 15.250 2.663 -0.090
28 HA PHE 6 HA PHE 6 17.112 2.407 -2.206
29 HB2 PHE 6 HB2 PHE 6 16.909 4.467 -0.896
30 HB3 PHE 6 HB3 PHE 6 17.466 3.619 0.543
31 HD1 PHE 6 HD1 PHE 6 19.804 2.857 0.702
32 HD2 PHE 6 HD2 PHE 6 18.431 5.243 -2.544
33 HE1 PHE 6 HE1 PHE 6 22.132 3.415 0.133
34 HE2 PHE 6 HE2 PHE 6 20.757 5.804 -3.119
35 HZ PHE 6 HZ PHE 6 22.611 4.889 -1.781
36 H GLY 7 H GLY 7 18.881 1.160 -2.449
37 HA2 GLY 7 HA2 GLY 7 20.666 -0.208 -1.802
38 HA3 GLY 7 HA3 GLY 7 20.016 -0.247 -0.170
39 H LYS 8 H LYS 8 17.764 -0.885 -2.659
40 HA LYS 8 HA LYS 8 17.750 -3.718 -1.895
41 HB2 LYS 8 HB2 LYS 8 15.628 -2.048 -3.257
42 HB3 LYS 8 HB3 LYS 8 15.459 -3.744 -2.824
43 HG2 LYS 8 HG2 LYS 8 15.982 -1.553 -0.831
44 HG3 LYS 8 HG3 LYS 8 14.374 -2.148 -1.249
45 HD2 LYS 8 HD2 LYS 8 16.447 -4.123 -0.437
46 HD3 LYS 8 HD3 LYS 8 15.715 -3.115 0.814
47 HE2 LYS 8 HE2 LYS 8 13.589 -3.983 0.439
48 HE3 LYS 8 HE3 LYS 8 14.006 -4.568 -1.171
49 HZ1 LYS 8 HZ1 LYS 8 13.801 -6.344 0.512
50 HZ2 LYS 8 HZ2 LYS 8 15.115 -5.683 1.347
51 HZ3 LYS 8 HZ3 LYS 8 15.327 -6.296 -0.215
52 H SER 9 H SER 9 17.615 -5.361 -3.460
53 HA SER 9 HA SER 9 19.053 -4.775 -5.887
54 HB2 SER 9 HB2 SER 9 17.844 -7.410 -5.022
55 HB3 SER 9 HB3 SER 9 19.111 -7.165 -6.224
56 HG SER 9 HG SER 9 19.406 -7.560 -3.639
57 H CYS 10 H CYS 10 17.966 -3.843 -7.500
58 HA CYS 10 HA CYS 10 15.312 -4.921 -8.192
59 HB2 CYS 10 HB2 CYS 10 14.894 -2.703 -9.269
60 HB3 CYS 10 HB3 CYS 10 15.103 -2.618 -7.523
61 H ASN 11 H ASN 11 14.823 -4.343 -10.625
62 HA ASN 11 HA ASN 11 17.111 -5.346 -12.181
63 HB2 ASN 11 HB2 ASN 11 14.961 -6.729 -12.008
64 HB3 ASN 11 HB3 ASN 11 14.221 -5.497 -13.026
65 HD21 ASN 11 HD21 ASN 11 14.389 -5.715 -15.145
66 HD22 ASN 11 HD22 ASN 11 15.465 -6.791 -15.964
67 HA PRO 12 HA PRO 12 17.222 -1.491 -14.326
68 HB2 PRO 12 HB2 PRO 12 18.672 -2.295 -16.476
69 HB3 PRO 12 HB3 PRO 12 19.383 -2.043 -14.877
70 HG2 PRO 12 HG2 PRO 12 18.534 -4.595 -16.193
71 HG3 PRO 12 HG3 PRO 12 19.998 -4.254 -15.251
72 HD2 PRO 12 HD2 PRO 12 17.856 -5.538 -14.203
73 HD3 PRO 12 HD3 PRO 12 18.905 -4.482 -13.234
74 H SER 13 H SER 13 16.426 -4.425 -16.170
75 HA SER 13 HA SER 13 15.239 -3.112 -18.362
76 HB2 SER 13 HB2 SER 13 15.977 -5.610 -18.051
77 HB3 SER 13 HB3 SER 13 14.323 -5.828 -17.481
78 HG SER 13 HG SER 13 14.975 -5.972 -19.901
79 H ASN 14 H ASN 14 14.095 -3.835 -15.185
80 HA ASN 14 HA ASN 14 11.557 -2.533 -15.823
81 HB2 ASN 14 HB2 ASN 14 11.456 -5.158 -15.816
82 HB3 ASN 14 HB3 ASN 14 11.483 -4.959 -14.066
83 HD21 ASN 14 HD21 ASN 14 9.553 -5.124 -16.762
84 HD22 ASN 14 HD22 ASN 14 8.099 -4.472 -16.095
85 H ASP 15 H ASP 15 13.012 -0.911 -14.684
86 HA ASP 15 HA ASP 15 13.787 -1.048 -12.046
87 HB2 ASP 15 HB2 ASP 15 13.560 1.419 -12.003
88 HB3 ASP 15 HB3 ASP 15 14.366 0.842 -13.459
89 H GLN 16 H GLN 16 12.669 -1.575 -10.299
90 HA GLN 16 HA GLN 16 9.961 -0.484 -9.974
91 HB2 GLN 16 HB2 GLN 16 10.790 -3.314 -9.308
92 HB3 GLN 16 HB3 GLN 16 9.214 -2.604 -8.986
93 HG2 GLN 16 HG2 GLN 16 9.642 -2.190 -11.703
94 HG3 GLN 16 HG3 GLN 16 10.228 -3.822 -11.389
95 HE21 GLN 16 HE21 GLN 16 7.630 -2.176 -12.363
96 HE22 GLN 16 HE22 GLN 16 6.368 -3.228 -11.830
97 H CYS 17 H CYS 17 11.169 1.098 -8.697
98 HA CYS 17 HA CYS 17 11.868 0.064 -6.026
99 HB2 CYS 17 HB2 CYS 17 12.944 2.462 -7.519
100 HB3 CYS 17 HB3 CYS 17 13.258 2.155 -5.814
101 H CYS 18 H CYS 18 11.850 2.244 -4.503
102 HA CYS 18 HA CYS 18 9.032 2.913 -4.384
103 HB2 CYS 18 HB2 CYS 18 11.338 3.505 -2.521
104 HB3 CYS 18 HB3 CYS 18 9.676 4.001 -2.216
105 H LYS 19 H LYS 19 8.433 4.479 -5.759
106 HA LYS 19 HA LYS 19 10.085 6.622 -6.585
107 HB2 LYS 19 HB2 LYS 19 7.067 6.508 -6.668
108 HB3 LYS 19 HB3 LYS 19 8.115 7.507 -7.666
109 HG2 LYS 19 HG2 LYS 19 8.022 4.497 -7.719
110 HG3 LYS 19 HG3 LYS 19 7.228 5.568 -8.876
111 HD2 LYS 19 HD2 LYS 19 10.190 5.662 -8.360
112 HD3 LYS 19 HD3 LYS 19 9.473 4.591 -9.567
113 HE2 LYS 19 HE2 LYS 19 8.328 6.742 -10.439
114 HE3 LYS 19 HE3 LYS 19 9.563 7.585 -9.506
115 HZ1 LYS 19 HZ1 LYS 19 10.731 5.527 -11.061
116 HZ2 LYS 19 HZ2 LYS 19 11.045 7.189 -11.085
117 HZ3 LYS 19 HZ3 LYS 19 9.814 6.547 -12.052
118 H SER 20 H SER 20 7.771 6.233 -3.985
119 HA SER 20 HA SER 20 7.323 8.886 -3.295
120 HB2 SER 20 HB2 SER 20 7.665 6.804 -1.163
121 HB3 SER 20 HB3 SER 20 6.465 8.091 -1.281
122 HG SER 20 HG SER 20 5.721 6.844 -3.211
123 H SER 21 H SER 21 10.049 6.791 -2.581
124 HA SER 21 HA SER 21 11.308 8.892 -0.980
125 HB2 SER 21 HB2 SER 21 11.764 5.957 -1.328
126 HB3 SER 21 HB3 SER 21 13.116 6.967 -0.815
127 HG SER 21 HG SER 21 12.074 7.459 1.024
128 H SER 22 H SER 22 10.941 8.838 -3.997
129 HA SER 22 HA SER 22 12.108 9.364 -5.883
130 HB2 SER 22 HB2 SER 22 13.662 10.670 -3.679
131 HB3 SER 22 HB3 SER 22 14.283 10.730 -5.328
132 HG SER 22 HG SER 22 11.604 11.405 -4.856
133 H LEU 23 H LEU 23 12.428 6.858 -5.730
134 HA LEU 23 HA LEU 23 15.321 6.303 -5.811
135 HB2 LEU 23 HB2 LEU 23 13.016 4.475 -5.165
136 HB3 LEU 23 HB3 LEU 23 14.670 3.922 -5.419
137 HG LEU 23 HG LEU 23 13.704 5.727 -3.202
138 HD11 LEU 23 HD11 LEU 23 13.194 3.199 -3.192
139 HD12 LEU 23 HD12 LEU 23 13.924 3.923 -1.760
140 HD13 LEU 23 HD13 LEU 23 14.922 3.010 -2.892
141 HD21 LEU 23 HD21 LEU 23 15.949 6.343 -3.894
142 HD22 LEU 23 HD22 LEU 23 16.462 4.659 -3.796
143 HD23 LEU 23 HD23 LEU 23 15.991 5.523 -2.333
144 H ALA 24 H ALA 24 15.967 4.603 -7.364
145 HA ALA 24 HA ALA 24 14.229 3.934 -9.534
146 HB1 ALA 24 HB1 ALA 24 16.357 6.017 -9.999
147 HB2 ALA 24 HB2 ALA 24 15.525 5.139 -11.283
148 HB3 ALA 24 HB3 ALA 24 14.616 6.202 -10.209
149 H CYS 25 H CYS 25 15.164 2.447 -10.996
150 HA CYS 25 HA CYS 25 17.527 1.111 -9.911
151 HB2 CYS 25 HB2 CYS 25 15.238 -0.014 -10.539
152 HB3 CYS 25 HB3 CYS 25 15.897 0.014 -12.171
153 H SER 26 H SER 26 19.426 1.659 -10.737
154 HA SER 26 HA SER 26 19.583 2.656 -13.480
155 HB2 SER 26 HB2 SER 26 20.774 3.547 -11.192
156 HB3 SER 26 HB3 SER 26 22.055 2.547 -11.877
157 HG SER 26 HG SER 26 20.883 4.881 -12.874
158 H THR 27 H THR 27 20.748 1.685 -15.083
159 HA THR 27 HA THR 27 21.245 -1.131 -14.795
160 HB THR 27 HB THR 27 22.134 0.384 -17.213
161 HG1 THR 27 HG1 THR 27 19.491 0.124 -16.273
162 HG21 THR 27 HG21 THR 27 21.378 -2.343 -16.487
163 HG22 THR 27 HG22 THR 27 22.374 -1.762 -17.822
164 HG23 THR 27 HG23 THR 27 20.617 -1.778 -17.974
165 H LYS 28 H LYS 28 23.012 1.442 -13.869
166 HA LYS 28 HA LYS 28 25.607 0.447 -14.745
167 HB2 LYS 28 HB2 LYS 28 24.558 2.967 -13.692
168 HB3 LYS 28 HB3 LYS 28 26.097 2.506 -12.976
169 HG2 LYS 28 HG2 LYS 28 27.238 2.720 -14.944
170 HG3 LYS 28 HG3 LYS 28 25.817 2.373 -15.932
171 HD2 LYS 28 HD2 LYS 28 25.920 4.606 -16.310
172 HD3 LYS 28 HD3 LYS 28 25.008 4.661 -14.799
173 HE2 LYS 28 HE2 LYS 28 26.924 5.207 -13.544
174 HE3 LYS 28 HE3 LYS 28 28.011 4.755 -14.856
175 HZ1 LYS 28 HZ1 LYS 28 27.776 7.172 -14.589
176 HZ2 LYS 28 HZ2 LYS 28 26.127 7.048 -14.943
177 HZ3 LYS 28 HZ3 LYS 28 27.276 6.645 -16.117
178 H HIS 29 H HIS 29 23.904 1.095 -11.688
179 HA HIS 29 HA HIS 29 25.851 -0.614 -10.304
180 HB2 HIS 29 HB2 HIS 29 23.905 1.456 -9.281
181 HB3 HIS 29 HB3 HIS 29 24.810 0.380 -8.220
182 HD1 HIS 29 HD1 HIS 29 27.515 0.574 -9.871
183 HD2 HIS 29 HD2 HIS 29 25.218 3.768 -8.533
184 HE1 HIS 29 HE1 HIS 29 29.094 2.527 -9.732
185 H LYS 30 H LYS 30 22.610 -0.479 -11.394
186 HA LYS 30 HA LYS 30 20.858 -1.923 -11.262
187 HB2 LYS 30 HB2 LYS 30 23.209 -3.659 -10.658
188 HB3 LYS 30 HB3 LYS 30 21.599 -4.318 -10.396
189 HG2 LYS 30 HG2 LYS 30 21.245 -3.346 -12.851
190 HG3 LYS 30 HG3 LYS 30 22.986 -3.631 -12.915
191 HD2 LYS 30 HD2 LYS 30 21.410 -5.822 -11.750
192 HD3 LYS 30 HD3 LYS 30 21.095 -5.505 -13.458
193 HE2 LYS 30 HE2 LYS 30 23.566 -5.602 -13.841
194 HE3 LYS 30 HE3 LYS 30 23.748 -6.127 -12.168
195 HZ1 LYS 30 HZ1 LYS 30 23.281 -8.188 -12.774
196 HZ2 LYS 30 HZ2 LYS 30 23.202 -7.699 -14.391
197 HZ3 LYS 30 HZ3 LYS 30 21.801 -7.714 -13.442
198 H TRP 31 H TRP 31 20.501 -0.295 -9.364
199 HA TRP 31 HA TRP 31 19.303 -1.744 -7.255
200 HB2 TRP 31 HB2 TRP 31 20.668 -1.215 -5.396
201 HB3 TRP 31 HB3 TRP 31 21.777 -1.815 -6.626
202 HD1 TRP 31 HD1 TRP 31 22.049 0.905 -8.308
203 HE1 TRP 31 HE1 TRP 31 23.406 2.851 -7.310
204 HE3 TRP 31 HE3 TRP 31 21.874 -0.428 -3.375
205 HZ2 TRP 31 HZ2 TRP 31 24.287 3.708 -4.769
206 HZ3 TRP 31 HZ3 TRP 31 23.000 1.009 -1.725
207 HH2 TRP 31 HH2 TRP 31 24.182 3.033 -2.410
208 H CYS 32 H CYS 32 18.157 -0.367 -5.754
209 HA CYS 32 HA CYS 32 17.050 1.913 -6.991
210 HB2 CYS 32 HB2 CYS 32 16.898 1.069 -4.088
211 HB3 CYS 32 HB3 CYS 32 15.839 2.233 -4.877
212 H LYS 33 H LYS 33 18.597 3.443 -7.458
213 HA LYS 33 HA LYS 33 20.130 4.568 -5.227
214 HB2 LYS 33 HB2 LYS 33 21.349 5.798 -7.058
215 HB3 LYS 33 HB3 LYS 33 21.514 4.048 -7.095
216 HG2 LYS 33 HG2 LYS 33 20.359 3.838 -9.034
217 HG3 LYS 33 HG3 LYS 33 19.328 5.232 -8.702
218 HD2 LYS 33 HD2 LYS 33 20.805 5.719 -10.560
219 HD3 LYS 33 HD3 LYS 33 21.235 6.722 -9.173
220 HE2 LYS 33 HE2 LYS 33 23.213 5.628 -8.823
221 HE3 LYS 33 HE3 LYS 33 22.618 4.110 -9.493
222 HZ1 LYS 33 HZ1 LYS 33 23.490 4.623 -11.448
223 HZ2 LYS 33 HZ2 LYS 33 24.196 5.996 -10.757
224 HZ3 LYS 33 HZ3 LYS 33 22.678 6.106 -11.496
225 H TYR 34 H TYR 34 20.028 6.735 -4.674
226 HA TYR 34 HA TYR 34 17.544 7.998 -4.857
227 HB2 TYR 34 HB2 TYR 34 20.278 8.934 -4.042
228 HB3 TYR 34 HB3 TYR 34 18.935 10.070 -4.119
229 HD1 TYR 34 HD1 TYR 34 16.683 8.631 -3.068
230 HD2 TYR 34 HD2 TYR 34 20.750 8.483 -1.827
231 HE1 TYR 34 HE1 TYR 34 15.966 7.940 -0.819
232 HE2 TYR 34 HE2 TYR 34 20.044 7.791 0.425
233 HH TYR 34 HH TYR 34 18.178 6.784 1.541
234 H GLU 35 H GLU 35 16.608 9.104 -6.436
235 HA GLU 35 HA GLU 35 18.049 9.719 -8.849
236 HB2 GLU 35 HB2 GLU 35 15.200 9.898 -7.960
237 HB3 GLU 35 HB3 GLU 35 15.707 10.810 -9.376
238 HG2 GLU 35 HG2 GLU 35 16.714 8.501 -10.107
239 HG3 GLU 35 HG3 GLU 35 15.515 7.870 -8.980
240 H LEU 36 H LEU 36 19.411 11.400 -8.770
241 HA LEU 36 HA LEU 36 18.631 13.833 -7.353
242 HB2 LEU 36 HB2 LEU 36 21.243 13.223 -8.721
243 HB3 LEU 36 HB3 LEU 36 20.914 14.527 -7.582
244 HG LEU 36 HG LEU 36 20.852 11.597 -6.869
245 HD11 LEU 36 HD11 LEU 36 22.999 12.150 -5.684
246 HD12 LEU 36 HD12 LEU 36 23.041 13.645 -6.618
247 HD13 LEU 36 HD13 LEU 36 23.098 12.087 -7.443
248 HD21 LEU 36 HD21 LEU 36 19.794 13.812 -5.567
249 HD22 LEU 36 HD22 LEU 36 21.324 13.503 -4.746
250 HD23 LEU 36 HD23 LEU 36 20.114 12.225 -4.866
Start of MODEL 4
1 H1 GLY 1 H GLY 1 3.666 1.210 -0.147
2 HA2 GLY 1 HA2 GLY 1 1.573 -0.267 -0.147
3 HA3 GLY 1 HA3 GLY 1 1.549 0.091 -1.867
4 H ALA 2 H ALA 2 3.565 -0.496 -3.078
5 HA ALA 2 HA ALA 2 5.111 -2.663 -1.899
6 HB1 ALA 2 HB1 ALA 2 4.589 -4.251 -3.648
7 HB2 ALA 2 HB2 ALA 2 3.107 -3.757 -2.828
8 HB3 ALA 2 HB3 ALA 2 3.502 -3.092 -4.413
9 H CYS 3 H CYS 3 7.100 -1.899 -2.246
10 HA CYS 3 HA CYS 3 8.045 -1.591 -4.947
11 HB2 CYS 3 HB2 CYS 3 8.968 0.704 -4.546
12 HB3 CYS 3 HB3 CYS 3 7.213 0.645 -4.666
13 H LEU 4 H LEU 4 10.461 -0.540 -4.656
14 HA LEU 4 HA LEU 4 11.724 -2.176 -2.555
15 HB2 LEU 4 HB2 LEU 4 12.835 -1.399 -5.247
16 HB3 LEU 4 HB3 LEU 4 13.658 -2.376 -4.033
17 HG LEU 4 HG LEU 4 11.094 -3.203 -5.386
18 HD11 LEU 4 HD11 LEU 4 13.816 -4.272 -6.043
19 HD12 LEU 4 HD12 LEU 4 13.137 -2.889 -6.901
20 HD13 LEU 4 HD13 LEU 4 12.308 -4.445 -6.941
21 HD21 LEU 4 HD21 LEU 4 12.141 -5.476 -4.609
22 HD22 LEU 4 HD22 LEU 4 11.216 -4.481 -3.484
23 HD23 LEU 4 HD23 LEU 4 12.980 -4.452 -3.444
24 H GLY 5 H GLY 5 12.565 -0.995 -0.976
25 HA2 GLY 5 HA2 GLY 5 12.968 1.804 -1.153
26 HA3 GLY 5 HA3 GLY 5 13.504 0.767 0.161
27 H PHE 6 H PHE 6 15.224 2.602 -0.162
28 HA PHE 6 HA PHE 6 17.085 2.334 -2.279
29 HB2 PHE 6 HB2 PHE 6 16.904 4.392 -0.962
30 HB3 PHE 6 HB3 PHE 6 17.447 3.532 0.476
31 HD1 PHE 6 HD2 PHE 6 18.470 4.767 -2.841
32 HD2 PHE 6 HD1 PHE 6 19.744 3.130 0.876
33 HE1 PHE 6 HE2 PHE 6 20.804 5.301 -3.410
34 HE2 PHE 6 HE1 PHE 6 22.080 3.663 0.313
35 HZ PHE 6 HZ PHE 6 22.612 4.749 -1.832
36 H GLY 7 H GLY 7 18.832 1.061 -2.527
37 HA2 GLY 7 HA2 GLY 7 20.604 -0.327 -1.879
38 HA3 GLY 7 HA3 GLY 7 19.946 -0.369 -0.250
39 H LYS 8 H LYS 8 17.698 -0.965 -2.752
40 HA LYS 8 HA LYS 8 17.647 -3.802 -2.005
41 HB2 LYS 8 HB2 LYS 8 15.552 -2.104 -3.373
42 HB3 LYS 8 HB3 LYS 8 15.362 -3.798 -2.942
43 HG2 LYS 8 HG2 LYS 8 15.895 -1.609 -0.948
44 HG3 LYS 8 HG3 LYS 8 14.285 -2.196 -1.370
45 HD2 LYS 8 HD2 LYS 8 14.564 -4.164 -0.264
46 HD3 LYS 8 HD3 LYS 8 16.298 -4.227 -0.592
47 HE2 LYS 8 HE2 LYS 8 16.824 -2.911 1.217
48 HE3 LYS 8 HE3 LYS 8 15.252 -2.113 1.229
49 HZ1 LYS 8 HZ1 LYS 8 15.702 -4.941 2.012
50 HZ2 LYS 8 HZ2 LYS 8 14.255 -4.075 2.141
51 HZ3 LYS 8 HZ3 LYS 8 15.580 -3.654 3.104
52 H SER 9 H SER 9 17.401 -5.427 -3.613
53 HA SER 9 HA SER 9 18.897 -4.852 -6.017
54 HB2 SER 9 HB2 SER 9 18.450 -7.379 -6.399
55 HB3 SER 9 HB3 SER 9 19.506 -6.906 -5.068
56 HG SER 9 HG SER 9 18.139 -7.774 -3.741
57 H CYS 10 H CYS 10 17.827 -3.876 -7.617
58 HA CYS 10 HA CYS 10 15.161 -4.907 -8.335
59 HB2 CYS 10 HB2 CYS 10 14.781 -2.668 -9.384
60 HB3 CYS 10 HB3 CYS 10 14.979 -2.611 -7.636
61 H ASN 11 H ASN 11 14.690 -4.285 -10.762
62 HA ASN 11 HA ASN 11 16.963 -5.317 -12.321
63 HB2 ASN 11 HB2 ASN 11 14.642 -6.536 -12.146
64 HB3 ASN 11 HB3 ASN 11 14.146 -5.342 -13.341
65 HD21 ASN 11 HD21 ASN 11 14.259 -6.057 -15.329
66 HD22 ASN 11 HD22 ASN 11 15.416 -7.180 -15.950
67 HA PRO 12 HA PRO 12 17.212 -1.432 -14.398
68 HB2 PRO 12 HB2 PRO 12 18.642 -2.245 -16.558
69 HB3 PRO 12 HB3 PRO 12 19.355 -2.048 -14.953
70 HG2 PRO 12 HG2 PRO 12 18.424 -4.544 -16.319
71 HG3 PRO 12 HG3 PRO 12 19.895 -4.272 -15.366
72 HD2 PRO 12 HD2 PRO 12 17.707 -5.500 -14.348
73 HD3 PRO 12 HD3 PRO 12 18.787 -4.499 -13.358
74 H SER 13 H SER 13 16.317 -4.303 -16.293
75 HA SER 13 HA SER 13 15.137 -2.847 -18.427
76 HB2 SER 13 HB2 SER 13 15.952 -5.322 -18.347
77 HB3 SER 13 HB3 SER 13 14.334 -5.657 -17.730
78 HG SER 13 HG SER 13 13.462 -4.992 -19.614
79 H ASN 14 H ASN 14 14.055 -3.751 -15.294
80 HA ASN 14 HA ASN 14 11.428 -2.596 -15.884
81 HB2 ASN 14 HB2 ASN 14 11.537 -5.230 -15.798
82 HB3 ASN 14 HB3 ASN 14 11.553 -4.962 -14.057
83 HD21 ASN 14 HD21 ASN 14 9.848 -3.533 -16.826
84 HD22 ASN 14 HD22 ASN 14 8.268 -3.678 -16.142
85 H ASP 15 H ASP 15 12.831 -0.860 -14.823
86 HA ASP 15 HA ASP 15 13.657 -0.883 -12.197
87 HB2 ASP 15 HB2 ASP 15 14.227 1.044 -13.377
88 HB3 ASP 15 HB3 ASP 15 12.586 1.286 -13.969
89 H GLN 16 H GLN 16 12.596 -1.436 -10.422
90 HA GLN 16 HA GLN 16 9.862 -0.441 -10.042
91 HB2 GLN 16 HB2 GLN 16 10.762 -3.261 -9.431
92 HB3 GLN 16 HB3 GLN 16 9.177 -2.588 -9.074
93 HG2 GLN 16 HG2 GLN 16 9.817 -2.238 -11.854
94 HG3 GLN 16 HG3 GLN 16 9.979 -3.929 -11.384
95 HE21 GLN 16 HE21 GLN 16 8.185 -5.100 -10.886
96 HE22 GLN 16 HE22 GLN 16 6.573 -4.504 -11.063
97 H CYS 17 H CYS 17 11.069 1.147 -8.767
98 HA CYS 17 HA CYS 17 11.825 0.090 -6.122
99 HB2 CYS 17 HB2 CYS 17 12.875 2.491 -7.625
100 HB3 CYS 17 HB3 CYS 17 13.193 2.208 -5.917
101 H CYS 18 H CYS 18 11.816 2.247 -4.572
102 HA CYS 18 HA CYS 18 8.997 2.910 -4.418
103 HB2 CYS 18 HB2 CYS 18 11.317 3.450 -2.558
104 HB3 CYS 18 HB3 CYS 18 9.664 3.960 -2.233
105 H LYS 19 H LYS 19 8.418 4.490 -5.795
106 HA LYS 19 HA LYS 19 10.061 6.650 -6.574
107 HB2 LYS 19 HB2 LYS 19 7.042 6.517 -6.646
108 HB3 LYS 19 HB3 LYS 19 8.070 7.571 -7.608
109 HG2 LYS 19 HG2 LYS 19 8.135 4.569 -7.774
110 HG3 LYS 19 HG3 LYS 19 7.156 5.596 -8.824
111 HD2 LYS 19 HD2 LYS 19 9.380 6.809 -9.328
112 HD3 LYS 19 HD3 LYS 19 10.142 5.366 -8.655
113 HE2 LYS 19 HE2 LYS 19 8.129 5.331 -10.899
114 HE3 LYS 19 HE3 LYS 19 9.875 5.337 -11.139
115 HZ1 LYS 19 HZ1 LYS 19 8.414 3.263 -9.599
116 HZ2 LYS 19 HZ2 LYS 19 10.051 3.247 -10.024
117 HZ3 LYS 19 HZ3 LYS 19 8.865 3.100 -11.221
118 H SER 20 H SER 20 7.753 6.222 -3.973
119 HA SER 20 HA SER 20 7.309 8.857 -3.229
120 HB2 SER 20 HB2 SER 20 6.483 8.023 -1.216
121 HB3 SER 20 HB3 SER 20 6.343 6.621 -2.276
122 HG SER 20 HG SER 20 8.163 5.754 -1.356
123 H SER 21 H SER 21 10.049 6.760 -2.562
124 HA SER 21 HA SER 21 11.319 8.853 -0.959
125 HB2 SER 21 HB2 SER 21 11.930 5.938 -1.415
126 HB3 SER 21 HB3 SER 21 13.104 7.019 -0.665
127 HG SER 21 HG SER 21 11.775 7.302 1.041
128 H SER 22 H SER 22 10.928 8.807 -3.976
129 HA SER 22 HA SER 22 12.079 9.341 -5.869
130 HB2 SER 22 HB2 SER 22 13.580 10.676 -3.660
131 HB3 SER 22 HB3 SER 22 14.289 10.687 -5.274
132 HG SER 22 HG SER 22 12.133 12.063 -4.296
133 H LEU 23 H LEU 23 12.413 6.854 -5.781
134 HA LEU 23 HA LEU 23 15.307 6.304 -5.861
135 HB2 LEU 23 HB2 LEU 23 13.013 4.462 -5.216
136 HB3 LEU 23 HB3 LEU 23 14.668 3.919 -5.481
137 HG LEU 23 HG LEU 23 13.718 5.716 -3.251
138 HD11 LEU 23 HD11 LEU 23 13.921 3.904 -1.817
139 HD12 LEU 23 HD12 LEU 23 14.900 2.982 -2.957
140 HD13 LEU 23 HD13 LEU 23 13.174 3.195 -3.249
141 HD21 LEU 23 HD21 LEU 23 16.460 4.616 -3.859
142 HD22 LEU 23 HD22 LEU 23 16.005 5.476 -2.388
143 HD23 LEU 23 HD23 LEU 23 15.968 6.308 -3.944
144 H ALA 24 H ALA 24 15.943 4.602 -7.424
145 HA ALA 24 HA ALA 24 14.196 3.955 -9.593
146 HB1 ALA 24 HB1 ALA 24 16.114 6.220 -9.873
147 HB2 ALA 24 HB2 ALA 24 15.820 5.164 -11.256
148 HB3 ALA 24 HB3 ALA 24 14.481 6.039 -10.514
149 H CYS 25 H CYS 25 15.121 2.474 -11.068
150 HA CYS 25 HA CYS 25 17.483 1.124 -9.999
151 HB2 CYS 25 HB2 CYS 25 15.182 0.013 -10.623
152 HB3 CYS 25 HB3 CYS 25 15.843 0.035 -12.255
153 H SER 26 H SER 26 19.392 1.565 -10.858
154 HA SER 26 HA SER 26 19.527 2.568 -13.610
155 HB2 SER 26 HB2 SER 26 20.736 3.468 -11.291
156 HB3 SER 26 HB3 SER 26 22.027 2.574 -12.093
157 HG SER 26 HG SER 26 20.477 4.336 -13.616
158 H THR 27 H THR 27 20.744 1.592 -15.178
159 HA THR 27 HA THR 27 21.275 -1.209 -14.831
160 HB THR 27 HB THR 27 22.178 0.293 -17.256
161 HG1 THR 27 HG1 THR 27 19.465 -0.410 -16.726
162 HG21 THR 27 HG21 THR 27 20.912 -2.402 -16.761
163 HG22 THR 27 HG22 THR 27 22.581 -2.076 -17.229
164 HG23 THR 27 HG23 THR 27 21.268 -1.753 -18.361
165 H LYS 28 H LYS 28 22.994 1.414 -13.935
166 HA LYS 28 HA LYS 28 25.617 0.479 -14.762
167 HB2 LYS 28 HB2 LYS 28 24.585 2.973 -14.174
168 HB3 LYS 28 HB3 LYS 28 25.542 2.596 -12.747
169 HG2 LYS 28 HG2 LYS 28 27.500 2.753 -13.850
170 HG3 LYS 28 HG3 LYS 28 26.840 2.073 -15.340
171 HD2 LYS 28 HD2 LYS 28 26.893 4.156 -16.147
172 HD3 LYS 28 HD3 LYS 28 25.517 4.484 -15.092
173 HE2 LYS 28 HE2 LYS 28 26.800 5.562 -13.527
174 HE3 LYS 28 HE3 LYS 28 28.260 4.669 -13.950
175 HZ1 LYS 28 HZ1 LYS 28 27.511 7.212 -14.794
176 HZ2 LYS 28 HZ2 LYS 28 27.444 6.212 -16.156
177 HZ3 LYS 28 HZ3 LYS 28 28.874 6.325 -15.260
178 H HIS 29 H HIS 29 23.857 0.994 -11.712
179 HA HIS 29 HA HIS 29 25.809 -0.746 -10.367
180 HB2 HIS 29 HB2 HIS 29 23.903 1.333 -9.288
181 HB3 HIS 29 HB3 HIS 29 24.792 0.217 -8.255
182 HD1 HIS 29 HD1 HIS 29 27.528 0.357 -9.742
183 HD2 HIS 29 HD2 HIS 29 25.227 3.645 -8.665
184 HE1 HIS 29 HE1 HIS 29 29.135 2.287 -9.608
185 H LYS 30 H LYS 30 22.583 -0.561 -11.466
186 HA LYS 30 HA LYS 30 20.811 -1.983 -11.360
187 HB2 LYS 30 HB2 LYS 30 23.132 -3.758 -10.742
188 HB3 LYS 30 HB3 LYS 30 21.508 -4.395 -10.519
189 HG2 LYS 30 HG2 LYS 30 21.160 -3.457 -12.950
190 HG3 LYS 30 HG3 LYS 30 22.917 -3.616 -13.017
191 HD2 LYS 30 HD2 LYS 30 21.063 -5.842 -12.184
192 HD3 LYS 30 HD3 LYS 30 21.642 -5.615 -13.836
193 HE2 LYS 30 HE2 LYS 30 23.606 -5.739 -11.591
194 HE3 LYS 30 HE3 LYS 30 22.889 -7.231 -12.196
195 HZ1 LYS 30 HZ1 LYS 30 25.079 -6.078 -13.221
196 HZ2 LYS 30 HZ2 LYS 30 23.887 -5.449 -14.242
197 HZ3 LYS 30 HZ3 LYS 30 24.066 -7.123 -14.083
198 H TRP 31 H TRP 31 20.456 -0.369 -9.452
199 HA TRP 31 HA TRP 31 19.214 -1.815 -7.370
200 HB2 TRP 31 HB2 TRP 31 20.573 -1.343 -5.491
201 HB3 TRP 31 HB3 TRP 31 21.679 -1.954 -6.719
202 HD1 TRP 31 HD1 TRP 31 22.020 0.790 -8.359
203 HE1 TRP 31 HE1 TRP 31 23.419 2.686 -7.323
204 HE3 TRP 31 HE3 TRP 31 21.794 -0.623 -3.451
205 HZ2 TRP 31 HZ2 TRP 31 24.309 3.478 -4.764
206 HZ3 TRP 31 HZ3 TRP 31 22.947 0.758 -1.772
207 HH2 TRP 31 HH2 TRP 31 24.178 2.765 -2.417
208 H CYS 32 H CYS 32 18.075 -0.436 -5.872
209 HA CYS 32 HA CYS 32 17.033 1.883 -7.082
210 HB2 CYS 32 HB2 CYS 32 16.846 1.006 -4.192
211 HB3 CYS 32 HB3 CYS 32 15.822 2.210 -4.967
212 H LYS 33 H LYS 33 18.569 3.419 -7.516
213 HA LYS 33 HA LYS 33 20.132 4.474 -5.269
214 HB2 LYS 33 HB2 LYS 33 21.373 5.711 -7.088
215 HB3 LYS 33 HB3 LYS 33 21.521 3.959 -7.129
216 HG2 LYS 33 HG2 LYS 33 20.411 3.771 -9.087
217 HG3 LYS 33 HG3 LYS 33 19.340 5.130 -8.738
218 HD2 LYS 33 HD2 LYS 33 20.799 5.704 -10.577
219 HD3 LYS 33 HD3 LYS 33 21.223 6.676 -9.166
220 HE2 LYS 33 HE2 LYS 33 23.135 5.341 -8.716
221 HE3 LYS 33 HE3 LYS 33 22.633 4.114 -9.879
222 HZ1 LYS 33 HZ1 LYS 33 23.384 6.898 -10.589
223 HZ2 LYS 33 HZ2 LYS 33 23.023 5.645 -11.667
224 HZ3 LYS 33 HZ3 LYS 33 24.417 5.563 -10.712
225 H TYR 34 H TYR 34 20.054 6.626 -4.673
226 HA TYR 34 HA TYR 34 17.597 7.939 -4.863
227 HB2 TYR 34 HB2 TYR 34 20.339 8.822 -4.010
228 HB3 TYR 34 HB3 TYR 34 19.005 9.968 -4.064
229 HD1 TYR 34 HD1 TYR 34 16.737 8.620 -3.024
230 HD2 TYR 34 HD2 TYR 34 20.802 8.219 -1.836
231 HE1 TYR 34 HE1 TYR 34 16.006 7.881 -0.795
232 HE2 TYR 34 HE2 TYR 34 20.083 7.477 0.396
233 HH TYR 34 HH TYR 34 18.354 7.186 1.771
234 H GLU 35 H GLU 35 16.700 9.082 -6.438
235 HA GLU 35 HA GLU 35 18.318 9.875 -8.727
236 HB2 GLU 35 HB2 GLU 35 15.492 9.255 -8.250
237 HB3 GLU 35 HB3 GLU 35 15.743 10.638 -9.305
238 HG2 GLU 35 HG2 GLU 35 17.344 8.218 -9.867
239 HG3 GLU 35 HG3 GLU 35 15.614 8.134 -10.197
240 H LEU 36 H LEU 36 19.314 11.777 -8.522
241 HA LEU 36 HA LEU 36 18.015 13.960 -7.087
242 HB2 LEU 36 HB2 LEU 36 20.760 13.891 -8.325
243 HB3 LEU 36 HB3 LEU 36 20.140 15.078 -7.179
244 HG LEU 36 HG LEU 36 20.655 12.167 -6.569
245 HD11 LEU 36 HD11 LEU 36 22.789 12.885 -6.578
246 HD12 LEU 36 HD12 LEU 36 22.353 13.553 -5.006
247 HD13 LEU 36 HD13 LEU 36 22.334 14.583 -6.437
248 HD21 LEU 36 HD21 LEU 36 19.552 14.456 -4.993
249 HD22 LEU 36 HD22 LEU 36 20.466 13.182 -4.185
250 HD23 LEU 36 HD23 LEU 36 18.999 12.783 -5.080
Start of MODEL 5
1 H1 GLY 1 H GLY 1 1.020 -1.027 -0.438
2 HA2 GLY 1 HA2 GLY 1 2.783 0.792 -1.220
3 HA3 GLY 1 HA3 GLY 1 3.292 0.574 0.448
4 H ALA 2 H ALA 2 3.611 -0.529 -2.713
5 HA ALA 2 HA ALA 2 5.176 -2.831 -1.770
6 HB1 ALA 2 HB1 ALA 2 3.261 -2.844 -4.100
7 HB2 ALA 2 HB2 ALA 2 4.396 -4.139 -3.716
8 HB3 ALA 2 HB3 ALA 2 3.097 -3.743 -2.591
9 H CYS 3 H CYS 3 7.172 -2.005 -2.124
10 HA CYS 3 HA CYS 3 8.067 -1.776 -4.840
11 HB2 CYS 3 HB2 CYS 3 9.011 0.535 -4.527
12 HB3 CYS 3 HB3 CYS 3 7.257 0.469 -4.659
13 H LEU 4 H LEU 4 10.489 -0.732 -4.640
14 HA LEU 4 HA LEU 4 11.786 -2.324 -2.530
15 HB2 LEU 4 HB2 LEU 4 12.871 -1.498 -5.218
16 HB3 LEU 4 HB3 LEU 4 13.720 -2.469 -4.017
17 HG LEU 4 HG LEU 4 11.164 -3.340 -5.357
18 HD11 LEU 4 HD11 LEU 4 13.234 -2.955 -6.860
19 HD12 LEU 4 HD12 LEU 4 12.366 -4.486 -6.969
20 HD13 LEU 4 HD13 LEU 4 13.874 -4.391 -6.061
21 HD21 LEU 4 HD21 LEU 4 12.262 -5.597 -4.620
22 HD22 LEU 4 HD22 LEU 4 11.346 -4.630 -3.463
23 HD23 LEU 4 HD23 LEU 4 13.109 -4.573 -3.460
24 H GLY 5 H GLY 5 12.670 -1.173 -0.953
25 HA2 GLY 5 HA2 GLY 5 12.999 1.644 -1.087
26 HA3 GLY 5 HA3 GLY 5 13.570 0.598 0.205
27 H PHE 6 H PHE 6 15.249 2.472 -0.112
28 HA PHE 6 HA PHE 6 17.092 2.270 -2.252
29 HB2 PHE 6 HB2 PHE 6 16.878 4.303 -0.893
30 HB3 PHE 6 HB3 PHE 6 17.474 3.431 0.516
31 HD1 PHE 6 HD2 PHE 6 18.394 4.735 -2.806
32 HD2 PHE 6 HD1 PHE 6 19.788 3.092 0.865
33 HE1 PHE 6 HE2 PHE 6 20.700 5.338 -3.416
34 HE2 PHE 6 HE1 PHE 6 22.096 3.692 0.261
35 HZ PHE 6 HZ PHE 6 22.555 4.817 -1.882
36 H GLY 7 H GLY 7 18.875 1.050 -2.530
37 HA2 GLY 7 HA2 GLY 7 20.671 -0.324 -1.932
38 HA3 GLY 7 HA3 GLY 7 20.046 -0.388 -0.291
39 H LYS 8 H LYS 8 17.760 -1.008 -2.753
40 HA LYS 8 HA LYS 8 17.768 -3.848 -2.021
41 HB2 LYS 8 HB2 LYS 8 15.629 -2.172 -3.348
42 HB3 LYS 8 HB3 LYS 8 15.470 -3.874 -2.936
43 HG2 LYS 8 HG2 LYS 8 15.976 -1.686 -0.932
44 HG3 LYS 8 HG3 LYS 8 14.382 -2.335 -1.326
45 HD2 LYS 8 HD2 LYS 8 14.953 -4.481 -0.484
46 HD3 LYS 8 HD3 LYS 8 16.662 -4.055 -0.370
47 HE2 LYS 8 HE2 LYS 8 15.820 -3.959 1.833
48 HE3 LYS 8 HE3 LYS 8 15.973 -2.286 1.301
49 HZ1 LYS 8 HZ1 LYS 8 13.504 -3.896 1.563
50 HZ2 LYS 8 HZ2 LYS 8 13.548 -2.455 0.678
51 HZ3 LYS 8 HZ3 LYS 8 13.891 -2.440 2.335
52 H SER 9 H SER 9 17.649 -5.479 -3.592
53 HA SER 9 HA SER 9 19.063 -4.868 -6.023
54 HB2 SER 9 HB2 SER 9 18.566 -7.429 -6.384
55 HB3 SER 9 HB3 SER 9 19.747 -6.915 -5.179
56 HG SER 9 HG SER 9 17.127 -7.871 -4.811
57 H CYS 10 H CYS 10 17.966 -3.913 -7.617
58 HA CYS 10 HA CYS 10 15.311 -4.988 -8.312
59 HB2 CYS 10 HB2 CYS 10 14.885 -2.756 -9.358
60 HB3 CYS 10 HB3 CYS 10 15.098 -2.694 -7.612
61 H ASN 11 H ASN 11 14.810 -4.375 -10.736
62 HA ASN 11 HA ASN 11 17.090 -5.361 -12.314
63 HB2 ASN 11 HB2 ASN 11 14.850 -6.674 -12.127
64 HB3 ASN 11 HB3 ASN 11 14.237 -5.463 -13.250
65 HD21 ASN 11 HD21 ASN 11 14.377 -5.972 -15.302
66 HD22 ASN 11 HD22 ASN 11 15.515 -7.064 -16.009
67 HA PRO 12 HA PRO 12 17.223 -1.475 -14.401
68 HB2 PRO 12 HB2 PRO 12 18.654 -2.257 -16.571
69 HB3 PRO 12 HB3 PRO 12 19.376 -2.038 -14.973
70 HG2 PRO 12 HG2 PRO 12 18.497 -4.560 -16.324
71 HG3 PRO 12 HG3 PRO 12 19.969 -4.249 -15.385
72 HD2 PRO 12 HD2 PRO 12 17.822 -5.530 -14.346
73 HD3 PRO 12 HD3 PRO 12 18.885 -4.499 -13.367
74 H SER 13 H SER 13 16.390 -4.372 -16.287
75 HA SER 13 HA SER 13 15.174 -2.975 -18.427
76 HB2 SER 13 HB2 SER 13 15.998 -5.415 -18.366
77 HB3 SER 13 HB3 SER 13 14.448 -5.785 -17.613
78 HG SER 13 HG SER 13 15.008 -4.913 -20.214
79 H ASN 14 H ASN 14 14.085 -3.897 -15.281
80 HA ASN 14 HA ASN 14 11.482 -2.683 -15.855
81 HB2 ASN 14 HB2 ASN 14 11.544 -5.322 -15.834
82 HB3 ASN 14 HB3 ASN 14 11.551 -5.095 -14.087
83 HD21 ASN 14 HD21 ASN 14 9.885 -3.646 -16.871
84 HD22 ASN 14 HD22 ASN 14 8.301 -3.750 -16.189
85 H ASP 15 H ASP 15 12.981 -1.030 -14.737
86 HA ASP 15 HA ASP 15 13.745 -1.152 -12.095
87 HB2 ASP 15 HB2 ASP 15 13.566 1.299 -12.065
88 HB3 ASP 15 HB3 ASP 15 14.297 0.730 -13.563
89 H GLN 16 H GLN 16 12.632 -1.640 -10.334
90 HA GLN 16 HA GLN 16 9.922 -0.555 -10.024
91 HB2 GLN 16 HB2 GLN 16 10.734 -3.393 -9.371
92 HB3 GLN 16 HB3 GLN 16 9.164 -2.674 -9.039
93 HG2 GLN 16 HG2 GLN 16 9.588 -2.248 -11.756
94 HG3 GLN 16 HG3 GLN 16 10.158 -3.888 -11.451
95 HE21 GLN 16 HE21 GLN 16 7.460 -1.820 -10.416
96 HE22 GLN 16 HE22 GLN 16 6.233 -3.012 -10.657
97 H CYS 17 H CYS 17 11.144 1.015 -8.741
98 HA CYS 17 HA CYS 17 11.827 -0.031 -6.071
99 HB2 CYS 17 HB2 CYS 17 12.918 2.373 -7.544
100 HB3 CYS 17 HB3 CYS 17 13.236 2.039 -5.844
101 H CYS 18 H CYS 18 11.822 2.150 -4.544
102 HA CYS 18 HA CYS 18 9.007 2.834 -4.429
103 HB2 CYS 18 HB2 CYS 18 11.310 3.411 -2.557
104 HB3 CYS 18 HB3 CYS 18 9.648 3.906 -2.255
105 H LYS 19 H LYS 19 8.425 4.408 -5.804
106 HA LYS 19 HA LYS 19 10.090 6.540 -6.623
107 HB2 LYS 19 HB2 LYS 19 7.071 6.482 -6.691
108 HB3 LYS 19 HB3 LYS 19 8.140 7.437 -7.710
109 HG2 LYS 19 HG2 LYS 19 8.005 4.429 -7.716
110 HG3 LYS 19 HG3 LYS 19 7.171 5.482 -8.861
111 HD2 LYS 19 HD2 LYS 19 10.138 5.667 -8.461
112 HD3 LYS 19 HD3 LYS 19 9.437 4.466 -9.549
113 HE2 LYS 19 HE2 LYS 19 8.539 6.110 -10.960
114 HE3 LYS 19 HE3 LYS 19 8.731 7.377 -9.749
115 HZ1 LYS 19 HZ1 LYS 19 10.595 6.434 -11.705
116 HZ2 LYS 19 HZ2 LYS 19 11.263 6.460 -10.151
117 HZ3 LYS 19 HZ3 LYS 19 10.605 7.871 -10.813
118 H SER 20 H SER 20 7.777 6.169 -4.018
119 HA SER 20 HA SER 20 7.361 8.823 -3.317
120 HB2 SER 20 HB2 SER 20 6.227 6.776 -2.340
121 HB3 SER 20 HB3 SER 20 7.655 6.567 -1.327
122 HG SER 20 HG SER 20 6.985 8.129 -0.095
123 H SER 21 H SER 21 10.049 6.680 -2.564
124 HA SER 21 HA SER 21 11.336 8.754 -0.963
125 HB2 SER 21 HB2 SER 21 11.273 6.256 -0.332
126 HB3 SER 21 HB3 SER 21 12.499 6.044 -1.582
127 HG SER 21 HG SER 21 12.790 7.972 0.459
128 H SER 22 H SER 22 10.955 8.703 -4.001
129 HA SER 22 HA SER 22 12.109 9.290 -5.875
130 HB2 SER 22 HB2 SER 22 12.701 11.147 -4.175
131 HB3 SER 22 HB3 SER 22 14.275 10.358 -4.076
132 HG SER 22 HG SER 22 14.739 11.424 -5.816
133 H LEU 23 H LEU 23 12.427 6.741 -5.634
134 HA LEU 23 HA LEU 23 15.316 6.194 -5.793
135 HB2 LEU 23 HB2 LEU 23 13.011 4.361 -5.160
136 HB3 LEU 23 HB3 LEU 23 14.665 3.813 -5.420
137 HG LEU 23 HG LEU 23 13.700 5.596 -3.185
138 HD11 LEU 23 HD11 LEU 23 14.906 2.868 -2.915
139 HD12 LEU 23 HD12 LEU 23 13.176 3.078 -3.189
140 HD13 LEU 23 HD13 LEU 23 13.933 3.777 -1.758
141 HD21 LEU 23 HD21 LEU 23 15.985 5.385 -2.318
142 HD22 LEU 23 HD22 LEU 23 15.948 6.214 -3.874
143 HD23 LEU 23 HD23 LEU 23 16.457 4.527 -3.785
144 H ALA 24 H ALA 24 15.956 4.525 -7.374
145 HA ALA 24 HA ALA 24 14.204 3.872 -9.538
146 HB1 ALA 24 HB1 ALA 24 14.675 6.234 -10.057
147 HB2 ALA 24 HB2 ALA 24 16.397 5.858 -10.119
148 HB3 ALA 24 HB3 ALA 24 15.294 5.134 -11.289
149 H CYS 25 H CYS 25 15.136 2.408 -11.025
150 HA CYS 25 HA CYS 25 17.517 1.074 -9.975
151 HB2 CYS 25 HB2 CYS 25 15.226 -0.056 -10.597
152 HB3 CYS 25 HB3 CYS 25 15.877 -0.013 -12.232
153 H SER 26 H SER 26 19.413 1.582 -10.827
154 HA SER 26 HA SER 26 19.531 2.606 -13.569
155 HB2 SER 26 HB2 SER 26 20.703 3.556 -11.305
156 HB3 SER 26 HB3 SER 26 22.004 2.560 -11.956
157 HG SER 26 HG SER 26 20.614 4.365 -13.612
158 H THR 27 H THR 27 20.728 1.655 -15.165
159 HA THR 27 HA THR 27 21.273 -1.150 -14.867
160 HB THR 27 HB THR 27 22.032 0.508 -17.263
161 HG1 THR 27 HG1 THR 27 19.863 0.034 -18.001
162 HG21 THR 27 HG21 THR 27 21.224 -1.702 -18.351
163 HG22 THR 27 HG22 THR 27 21.415 -2.377 -16.733
164 HG23 THR 27 HG23 THR 27 22.800 -1.668 -17.562
165 H LYS 28 H LYS 28 22.992 1.462 -13.947
166 HA LYS 28 HA LYS 28 25.608 0.525 -14.812
167 HB2 LYS 28 HB2 LYS 28 24.615 3.027 -14.298
168 HB3 LYS 28 HB3 LYS 28 25.497 2.681 -12.817
169 HG2 LYS 28 HG2 LYS 28 27.506 2.805 -13.824
170 HG3 LYS 28 HG3 LYS 28 26.921 2.076 -15.322
171 HD2 LYS 28 HD2 LYS 28 27.053 4.136 -16.184
172 HD3 LYS 28 HD3 LYS 28 25.594 4.483 -15.253
173 HE2 LYS 28 HE2 LYS 28 27.252 5.012 -13.331
174 HE3 LYS 28 HE3 LYS 28 28.447 5.139 -14.621
175 HZ1 LYS 28 HZ1 LYS 28 25.901 6.619 -14.784
176 HZ2 LYS 28 HZ2 LYS 28 27.372 6.948 -15.550
177 HZ3 LYS 28 HZ3 LYS 28 27.199 7.239 -13.893
178 H HIS 29 H HIS 29 23.882 1.082 -11.749
179 HA HIS 29 HA HIS 29 25.853 -0.626 -10.396
180 HB2 HIS 29 HB2 HIS 29 23.908 1.427 -9.340
181 HB3 HIS 29 HB3 HIS 29 24.804 0.331 -8.293
182 HD1 HIS 29 HD1 HIS 29 27.524 0.530 -9.896
183 HD2 HIS 29 HD2 HIS 29 25.221 3.731 -8.588
184 HE1 HIS 29 HE1 HIS 29 29.109 2.475 -9.730
185 H LYS 30 H LYS 30 22.617 -0.504 -11.487
186 HA LYS 30 HA LYS 30 20.873 -1.959 -11.369
187 HB2 LYS 30 HB2 LYS 30 23.229 -3.690 -10.761
188 HB3 LYS 30 HB3 LYS 30 21.617 -4.357 -10.534
189 HG2 LYS 30 HG2 LYS 30 21.244 -3.427 -12.962
190 HG3 LYS 30 HG3 LYS 30 23.003 -3.548 -13.036
191 HD2 LYS 30 HD2 LYS 30 21.216 -5.818 -12.182
192 HD3 LYS 30 HD3 LYS 30 21.747 -5.572 -13.847
193 HE2 LYS 30 HE2 LYS 30 24.033 -5.862 -13.241
194 HE3 LYS 30 HE3 LYS 30 23.644 -5.823 -11.522
195 HZ1 LYS 30 HZ1 LYS 30 22.763 -7.934 -11.583
196 HZ2 LYS 30 HZ2 LYS 30 24.043 -8.078 -12.679
197 HZ3 LYS 30 HZ3 LYS 30 22.460 -7.894 -13.246
198 H TRP 31 H TRP 31 20.501 -0.350 -9.459
199 HA TRP 31 HA TRP 31 19.312 -1.828 -7.362
200 HB2 TRP 31 HB2 TRP 31 20.666 -1.284 -5.496
201 HB3 TRP 31 HB3 TRP 31 21.779 -1.881 -6.724
202 HD1 TRP 31 HD1 TRP 31 22.008 0.858 -8.405
203 HE1 TRP 31 HE1 TRP 31 23.369 2.804 -7.410
204 HE3 TRP 31 HE3 TRP 31 21.911 -0.516 -3.481
205 HZ2 TRP 31 HZ2 TRP 31 24.280 3.645 -4.875
206 HZ3 TRP 31 HZ3 TRP 31 23.052 0.913 -1.835
207 HH2 TRP 31 HH2 TRP 31 24.212 2.950 -2.520
208 H CYS 32 H CYS 32 18.154 -0.471 -5.849
209 HA CYS 32 HA CYS 32 17.016 1.800 -7.074
210 HB2 CYS 32 HB2 CYS 32 16.880 0.931 -4.178
211 HB3 CYS 32 HB3 CYS 32 15.811 2.099 -4.949
212 H LYS 33 H LYS 33 18.555 3.343 -7.539
213 HA LYS 33 HA LYS 33 20.078 4.477 -5.306
214 HB2 LYS 33 HB2 LYS 33 21.274 5.734 -7.132
215 HB3 LYS 33 HB3 LYS 33 21.457 3.985 -7.187
216 HG2 LYS 33 HG2 LYS 33 20.307 3.784 -9.127
217 HG3 LYS 33 HG3 LYS 33 19.245 5.148 -8.769
218 HD2 LYS 33 HD2 LYS 33 20.692 5.707 -10.625
219 HD3 LYS 33 HD3 LYS 33 21.122 6.688 -9.221
220 HE2 LYS 33 HE2 LYS 33 23.064 5.438 -8.808
221 HE3 LYS 33 HE3 LYS 33 22.532 4.110 -9.838
222 HZ1 LYS 33 HZ1 LYS 33 23.967 5.104 -11.253
223 HZ2 LYS 33 HZ2 LYS 33 23.784 6.640 -10.568
224 HZ3 LYS 33 HZ3 LYS 33 22.608 6.040 -11.626
225 H TYR 34 H TYR 34 19.889 6.596 -4.672
226 HA TYR 34 HA TYR 34 17.398 7.839 -4.905
227 HB2 TYR 34 HB2 TYR 34 20.085 8.729 -3.924
228 HB3 TYR 34 HB3 TYR 34 18.786 9.906 -4.076
229 HD1 TYR 34 HD1 TYR 34 16.427 8.726 -3.132
230 HD2 TYR 34 HD2 TYR 34 20.394 8.041 -1.752
231 HE1 TYR 34 HE1 TYR 34 15.541 8.035 -0.944
232 HE2 TYR 34 HE2 TYR 34 19.518 7.347 0.439
233 HH TYR 34 HH TYR 34 17.345 6.403 1.338
234 H GLU 35 H GLU 35 16.509 9.007 -6.467
235 HA GLU 35 HA GLU 35 18.059 9.742 -8.789
236 HB2 GLU 35 HB2 GLU 35 15.147 9.830 -8.074
237 HB3 GLU 35 HB3 GLU 35 15.738 10.706 -9.479
238 HG2 GLU 35 HG2 GLU 35 16.824 8.403 -10.080
239 HG3 GLU 35 HG3 GLU 35 15.580 7.774 -9.001
240 H LEU 36 H LEU 36 19.315 11.491 -8.602
241 HA LEU 36 HA LEU 36 18.434 13.789 -7.055
242 HB2 LEU 36 HB2 LEU 36 20.992 12.930 -8.319
243 HB3 LEU 36 HB3 LEU 36 20.747 14.639 -7.967
244 HG LEU 36 HG LEU 36 20.488 12.499 -5.867
245 HD11 LEU 36 HD11 LEU 36 22.932 14.186 -6.178
246 HD12 LEU 36 HD12 LEU 36 22.776 12.681 -7.083
247 HD13 LEU 36 HD13 LEU 36 22.722 12.659 -5.321
248 HD21 LEU 36 HD21 LEU 36 20.692 14.298 -4.323
249 HD22 LEU 36 HD22 LEU 36 19.468 14.762 -5.506
250 HD23 LEU 36 HD23 LEU 36 21.095 15.438 -5.607
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.360 1.565 0.606
2 HA2 GLY 1 HA2 GLY 1 1.372 -0.288 -0.362
3 HA3 GLY 1 HA3 GLY 1 1.969 0.460 -1.836
4 H ALA 2 H ALA 2 3.607 -0.484 -2.947
5 HA ALA 2 HA ALA 2 5.152 -2.619 -1.707
6 HB1 ALA 2 HB1 ALA 2 3.681 -3.183 -4.267
7 HB2 ALA 2 HB2 ALA 2 4.551 -4.314 -3.231
8 HB3 ALA 2 HB3 ALA 2 3.031 -3.608 -2.684
9 H CYS 3 H CYS 3 7.137 -1.848 -2.084
10 HA CYS 3 HA CYS 3 8.067 -1.644 -4.803
11 HB2 CYS 3 HB2 CYS 3 9.007 0.658 -4.478
12 HB3 CYS 3 HB3 CYS 3 7.251 0.604 -4.589
13 H LEU 4 H LEU 4 10.491 -0.599 -4.562
14 HA LEU 4 HA LEU 4 11.761 -2.201 -2.441
15 HB2 LEU 4 HB2 LEU 4 12.866 -1.425 -5.136
16 HB3 LEU 4 HB3 LEU 4 13.698 -2.390 -3.919
17 HG LEU 4 HG LEU 4 11.138 -3.245 -5.261
18 HD11 LEU 4 HD11 LEU 4 13.201 -2.913 -6.768
19 HD12 LEU 4 HD12 LEU 4 12.344 -4.452 -6.835
20 HD13 LEU 4 HD13 LEU 4 13.851 -4.321 -5.929
21 HD21 LEU 4 HD21 LEU 4 13.051 -4.474 -3.331
22 HD22 LEU 4 HD22 LEU 4 12.203 -5.506 -4.483
23 HD23 LEU 4 HD23 LEU 4 11.288 -4.512 -3.350
24 H GLY 5 H GLY 5 12.641 -1.033 -0.874
25 HA2 GLY 5 HA2 GLY 5 13.006 1.774 -1.041
26 HA3 GLY 5 HA3 GLY 5 13.566 0.737 0.262
27 H PHE 6 H PHE 6 15.260 2.600 -0.084
28 HA PHE 6 HA PHE 6 17.101 2.351 -2.219
29 HB2 PHE 6 HB2 PHE 6 16.905 4.405 -0.893
30 HB3 PHE 6 HB3 PHE 6 17.490 3.550 0.531
31 HD1 PHE 6 HD2 PHE 6 18.434 4.759 -2.826
32 HD2 PHE 6 HD1 PHE 6 19.795 3.233 0.907
33 HE1 PHE 6 HE2 PHE 6 20.746 5.331 -3.439
34 HE2 PHE 6 HE1 PHE 6 22.110 3.804 0.300
35 HZ PHE 6 HZ PHE 6 22.588 4.853 -1.876
36 H GLY 7 H GLY 7 18.857 1.093 -2.488
37 HA2 GLY 7 HA2 GLY 7 20.652 -0.274 -1.859
38 HA3 GLY 7 HA3 GLY 7 20.015 -0.320 -0.222
39 H LYS 8 H LYS 8 17.743 -0.945 -2.697
40 HA LYS 8 HA LYS 8 17.730 -3.780 -1.942
41 HB2 LYS 8 HB2 LYS 8 15.605 -2.102 -3.290
42 HB3 LYS 8 HB3 LYS 8 15.435 -3.800 -2.863
43 HG2 LYS 8 HG2 LYS 8 15.968 -1.616 -0.864
44 HG3 LYS 8 HG3 LYS 8 14.358 -2.209 -1.278
45 HD2 LYS 8 HD2 LYS 8 16.507 -4.102 -0.394
46 HD3 LYS 8 HD3 LYS 8 15.565 -3.193 0.790
47 HE2 LYS 8 HE2 LYS 8 13.600 -4.274 0.252
48 HE3 LYS 8 HE3 LYS 8 14.152 -4.694 -1.369
49 HZ1 LYS 8 HZ1 LYS 8 15.713 -6.275 -0.336
50 HZ2 LYS 8 HZ2 LYS 8 14.095 -6.654 -0.019
51 HZ3 LYS 8 HZ3 LYS 8 15.045 -5.929 1.179
52 H SER 9 H SER 9 17.607 -5.420 -3.504
53 HA SER 9 HA SER 9 19.031 -4.831 -5.935
54 HB2 SER 9 HB2 SER 9 18.731 -7.334 -6.317
55 HB3 SER 9 HB3 SER 9 19.631 -6.872 -4.873
56 HG SER 9 HG SER 9 17.990 -7.493 -3.625
57 H CYS 10 H CYS 10 17.941 -3.885 -7.539
58 HA CYS 10 HA CYS 10 15.284 -4.957 -8.232
59 HB2 CYS 10 HB2 CYS 10 14.867 -2.732 -9.295
60 HB3 CYS 10 HB3 CYS 10 15.079 -2.657 -7.549
61 H ASN 11 H ASN 11 14.791 -4.363 -10.661
62 HA ASN 11 HA ASN 11 17.069 -5.372 -12.226
63 HB2 ASN 11 HB2 ASN 11 14.829 -6.675 -12.040
64 HB3 ASN 11 HB3 ASN 11 14.214 -5.462 -13.160
65 HD21 ASN 11 HD21 ASN 11 14.360 -5.952 -15.218
66 HD22 ASN 11 HD22 ASN 11 15.486 -7.054 -15.928
67 HA PRO 12 HA PRO 12 17.236 -1.501 -14.338
68 HB2 PRO 12 HB2 PRO 12 18.672 -2.307 -16.496
69 HB3 PRO 12 HB3 PRO 12 19.388 -2.081 -14.896
70 HG2 PRO 12 HG2 PRO 12 18.499 -4.607 -16.234
71 HG3 PRO 12 HG3 PRO 12 19.969 -4.298 -15.291
72 HD2 PRO 12 HD2 PRO 12 17.809 -5.558 -14.252
73 HD3 PRO 12 HD3 PRO 12 18.874 -4.527 -13.275
74 H SER 13 H SER 13 16.392 -4.406 -16.206
75 HA SER 13 HA SER 13 15.197 -3.020 -18.365
76 HB2 SER 13 HB2 SER 13 15.993 -5.486 -18.229
77 HB3 SER 13 HB3 SER 13 14.398 -5.804 -17.549
78 HG SER 13 HG SER 13 13.570 -4.715 -19.481
79 H ASN 14 H ASN 14 14.084 -3.898 -15.215
80 HA ASN 14 HA ASN 14 11.498 -2.659 -15.811
81 HB2 ASN 14 HB2 ASN 14 11.521 -5.295 -15.779
82 HB3 ASN 14 HB3 ASN 14 11.533 -5.066 -14.033
83 HD21 ASN 14 HD21 ASN 14 9.518 -5.782 -13.594
84 HD22 ASN 14 HD22 ASN 14 8.075 -5.019 -14.159
85 H ASP 15 H ASP 15 12.967 -1.000 -14.698
86 HA ASP 15 HA ASP 15 13.744 -1.107 -12.059
87 HB2 ASP 15 HB2 ASP 15 13.545 1.343 -12.035
88 HB3 ASP 15 HB3 ASP 15 14.276 0.774 -13.534
89 H GLN 16 H GLN 16 12.646 -1.585 -10.285
90 HA GLN 16 HA GLN 16 9.928 -0.526 -9.971
91 HB2 GLN 16 HB2 GLN 16 10.761 -3.351 -9.288
92 HB3 GLN 16 HB3 GLN 16 9.180 -2.641 -8.986
93 HG2 GLN 16 HG2 GLN 16 9.680 -2.260 -11.713
94 HG3 GLN 16 HG3 GLN 16 10.188 -3.908 -11.349
95 HE21 GLN 16 HE21 GLN 16 7.656 -2.081 -12.313
96 HE22 GLN 16 HE22 GLN 16 6.350 -3.103 -11.829
97 H CYS 17 H CYS 17 11.138 1.061 -8.700
98 HA CYS 17 HA CYS 17 11.832 0.035 -6.025
99 HB2 CYS 17 HB2 CYS 17 12.926 2.424 -7.520
100 HB3 CYS 17 HB3 CYS 17 13.244 2.107 -5.817
101 H CYS 18 H CYS 18 11.832 2.228 -4.516
102 HA CYS 18 HA CYS 18 9.019 2.912 -4.397
103 HB2 CYS 18 HB2 CYS 18 11.333 3.523 -2.549
104 HB3 CYS 18 HB3 CYS 18 9.671 4.018 -2.243
105 H LYS 19 H LYS 19 8.436 4.455 -5.811
106 HA LYS 19 HA LYS 19 10.087 6.584 -6.660
107 HB2 LYS 19 HB2 LYS 19 7.068 6.488 -6.726
108 HB3 LYS 19 HB3 LYS 19 8.118 7.464 -7.745
109 HG2 LYS 19 HG2 LYS 19 8.026 4.454 -7.750
110 HG3 LYS 19 HG3 LYS 19 7.197 5.499 -8.906
111 HD2 LYS 19 HD2 LYS 19 10.179 5.501 -8.453
112 HD3 LYS 19 HD3 LYS 19 9.370 4.584 -9.726
113 HE2 LYS 19 HE2 LYS 19 8.400 6.743 -10.542
114 HE3 LYS 19 HE3 LYS 19 9.427 7.577 -9.376
115 HZ1 LYS 19 HZ1 LYS 19 11.029 5.810 -10.829
116 HZ2 LYS 19 HZ2 LYS 19 11.069 7.500 -10.835
117 HZ3 LYS 19 HZ3 LYS 19 10.093 6.674 -11.943
118 H SER 20 H SER 20 7.705 6.274 -4.093
119 HA SER 20 HA SER 20 7.349 8.950 -3.431
120 HB2 SER 20 HB2 SER 20 6.561 8.191 -1.301
121 HB3 SER 20 HB3 SER 20 6.101 6.964 -2.481
122 HG SER 20 HG SER 20 8.047 6.867 -0.469
123 H SER 21 H SER 21 9.965 6.749 -2.644
124 HA SER 21 HA SER 21 11.250 8.768 -0.967
125 HB2 SER 21 HB2 SER 21 12.368 6.041 -1.591
126 HB3 SER 21 HB3 SER 21 12.679 7.061 -0.186
127 HG SER 21 HG SER 21 11.037 5.139 -0.200
128 H SER 22 H SER 22 10.948 8.785 -4.008
129 HA SER 22 HA SER 22 12.167 9.351 -5.848
130 HB2 SER 22 HB2 SER 22 13.683 10.575 -3.571
131 HB3 SER 22 HB3 SER 22 14.352 10.665 -5.200
132 HG SER 22 HG SER 22 13.076 12.325 -5.379
133 H LEU 23 H LEU 23 12.444 6.830 -5.731
134 HA LEU 23 HA LEU 23 15.332 6.245 -5.801
135 HB2 LEU 23 HB2 LEU 23 13.014 4.431 -5.158
136 HB3 LEU 23 HB3 LEU 23 14.666 3.870 -5.410
137 HG LEU 23 HG LEU 23 13.704 5.673 -3.190
138 HD11 LEU 23 HD11 LEU 23 14.916 2.953 -2.890
139 HD12 LEU 23 HD12 LEU 23 13.189 3.147 -3.186
140 HD13 LEU 23 HD13 LEU 23 13.924 3.865 -1.753
141 HD21 LEU 23 HD21 LEU 23 15.987 5.472 -2.320
142 HD22 LEU 23 HD22 LEU 23 15.952 6.286 -3.885
143 HD23 LEU 23 HD23 LEU 23 16.461 4.600 -3.778
144 H ALA 24 H ALA 24 15.971 4.564 -7.367
145 HA ALA 24 HA ALA 24 14.222 3.898 -9.530
146 HB1 ALA 24 HB1 ALA 24 14.499 6.014 -10.413
147 HB2 ALA 24 HB2 ALA 24 16.164 6.148 -9.846
148 HB3 ALA 24 HB3 ALA 24 15.781 5.109 -11.218
149 H CYS 25 H CYS 25 15.152 2.419 -11.002
150 HA CYS 25 HA CYS 25 17.523 1.084 -9.934
151 HB2 CYS 25 HB2 CYS 25 15.231 -0.039 -10.563
152 HB3 CYS 25 HB3 CYS 25 15.893 -0.010 -12.194
153 H SER 26 H SER 26 19.427 1.575 -10.780
154 HA SER 26 HA SER 26 19.567 2.603 -13.517
155 HB2 SER 26 HB2 SER 26 20.779 3.469 -11.215
156 HB3 SER 26 HB3 SER 26 22.058 2.508 -11.958
157 HG SER 26 HG SER 26 20.624 4.333 -13.532
158 H THR 27 H THR 27 20.738 1.639 -15.122
159 HA THR 27 HA THR 27 21.236 -1.176 -14.842
160 HB THR 27 HB THR 27 22.016 0.478 -17.233
161 HG1 THR 27 HG1 THR 27 19.841 0.083 -17.965
162 HG21 THR 27 HG21 THR 27 21.441 -2.393 -16.669
163 HG22 THR 27 HG22 THR 27 22.717 -1.671 -17.649
164 HG23 THR 27 HG23 THR 27 21.068 -1.753 -18.269
165 H LYS 28 H LYS 28 23.002 1.396 -13.910
166 HA LYS 28 HA LYS 28 25.598 0.396 -14.780
167 HB2 LYS 28 HB2 LYS 28 24.549 2.925 -13.760
168 HB3 LYS 28 HB3 LYS 28 26.072 2.467 -13.008
169 HG2 LYS 28 HG2 LYS 28 27.255 2.679 -14.945
170 HG3 LYS 28 HG3 LYS 28 25.867 2.291 -15.965
171 HD2 LYS 28 HD2 LYS 28 26.274 4.581 -16.320
172 HD3 LYS 28 HD3 LYS 28 24.896 4.524 -15.218
173 HE2 LYS 28 HE2 LYS 28 26.288 6.162 -14.304
174 HE3 LYS 28 HE3 LYS 28 26.634 4.723 -13.345
175 HZ1 LYS 28 HZ1 LYS 28 28.495 4.392 -15.101
176 HZ2 LYS 28 HZ2 LYS 28 28.727 5.484 -13.830
177 HZ3 LYS 28 HZ3 LYS 28 28.303 6.052 -15.367
178 H HIS 29 H HIS 29 23.891 1.062 -11.729
179 HA HIS 29 HA HIS 29 25.837 -0.636 -10.330
180 HB2 HIS 29 HB2 HIS 29 23.873 1.427 -9.326
181 HB3 HIS 29 HB3 HIS 29 24.777 0.359 -8.256
182 HD1 HIS 29 HD1 HIS 29 27.494 0.557 -9.877
183 HD2 HIS 29 HD2 HIS 29 25.168 3.751 -8.592
184 HE1 HIS 29 HE1 HIS 29 29.063 2.518 -9.738
185 H LYS 30 H LYS 30 22.597 -0.519 -11.432
186 HA LYS 30 HA LYS 30 20.851 -1.971 -11.301
187 HB2 LYS 30 HB2 LYS 30 23.207 -3.698 -10.686
188 HB3 LYS 30 HB3 LYS 30 21.597 -4.362 -10.441
189 HG2 LYS 30 HG2 LYS 30 21.210 -3.453 -12.878
190 HG3 LYS 30 HG3 LYS 30 22.968 -3.586 -12.960
191 HD2 LYS 30 HD2 LYS 30 21.192 -5.841 -12.050
192 HD3 LYS 30 HD3 LYS 30 21.666 -5.610 -13.734
193 HE2 LYS 30 HE2 LYS 30 23.765 -5.671 -11.612
194 HE3 LYS 30 HE3 LYS 30 23.047 -7.185 -12.160
195 HZ1 LYS 30 HZ1 LYS 30 24.327 -7.129 -13.947
196 HZ2 LYS 30 HZ2 LYS 30 25.071 -5.721 -13.380
197 HZ3 LYS 30 HZ3 LYS 30 23.721 -5.614 -14.395
198 H TRP 31 H TRP 31 20.483 -0.345 -9.405
199 HA TRP 31 HA TRP 31 19.290 -1.800 -7.297
200 HB2 TRP 31 HB2 TRP 31 20.648 -1.259 -5.436
201 HB3 TRP 31 HB3 TRP 31 21.760 -1.860 -6.662
202 HD1 TRP 31 HD1 TRP 31 22.008 0.867 -8.350
203 HE1 TRP 31 HE1 TRP 31 23.367 2.816 -7.358
204 HE3 TRP 31 HE3 TRP 31 21.876 -0.478 -3.419
205 HZ2 TRP 31 HZ2 TRP 31 24.264 3.669 -4.821
206 HZ3 TRP 31 HZ3 TRP 31 23.010 0.958 -1.774
207 HH2 TRP 31 HH2 TRP 31 24.179 2.988 -2.463
208 H CYS 32 H CYS 32 18.148 -0.421 -5.784
209 HA CYS 32 HA CYS 32 17.028 1.852 -7.028
210 HB2 CYS 32 HB2 CYS 32 16.869 1.001 -4.128
211 HB3 CYS 32 HB3 CYS 32 15.808 2.163 -4.918
212 H LYS 33 H LYS 33 18.584 3.380 -7.488
213 HA LYS 33 HA LYS 33 20.108 4.505 -5.253
214 HB2 LYS 33 HB2 LYS 33 21.315 5.754 -7.077
215 HB3 LYS 33 HB3 LYS 33 21.484 4.005 -7.135
216 HG2 LYS 33 HG2 LYS 33 20.349 3.819 -9.081
217 HG3 LYS 33 HG3 LYS 33 19.276 5.172 -8.713
218 HD2 LYS 33 HD2 LYS 33 20.691 5.795 -10.550
219 HD3 LYS 33 HD3 LYS 33 21.184 6.716 -9.127
220 HE2 LYS 33 HE2 LYS 33 23.084 5.336 -8.788
221 HE3 LYS 33 HE3 LYS 33 22.514 4.147 -9.958
222 HZ1 LYS 33 HZ1 LYS 33 22.740 6.693 -11.172
223 HZ2 LYS 33 HZ2 LYS 33 23.517 5.247 -11.580
224 HZ3 LYS 33 HZ3 LYS 33 24.203 6.281 -10.430
225 H TYR 34 H TYR 34 19.975 6.652 -4.658
226 HA TYR 34 HA TYR 34 17.486 7.905 -4.846
227 HB2 TYR 34 HB2 TYR 34 20.207 8.872 -4.008
228 HB3 TYR 34 HB3 TYR 34 18.826 9.963 -4.034
229 HD1 TYR 34 HD1 TYR 34 16.628 8.612 -2.944
230 HD2 TYR 34 HD2 TYR 34 20.724 8.166 -1.882
231 HE1 TYR 34 HE1 TYR 34 15.958 7.823 -0.713
232 HE2 TYR 34 HE2 TYR 34 20.065 7.375 0.352
233 HH TYR 34 HH TYR 34 17.365 7.861 1.752
234 H GLU 35 H GLU 35 16.573 9.166 -6.332
235 HA GLU 35 HA GLU 35 18.178 9.973 -8.643
236 HB2 GLU 35 HB2 GLU 35 15.362 9.256 -8.199
237 HB3 GLU 35 HB3 GLU 35 15.596 10.630 -9.270
238 HG2 GLU 35 HG2 GLU 35 17.308 8.296 -9.796
239 HG3 GLU 35 HG3 GLU 35 15.584 8.069 -10.084
240 H LEU 36 H LEU 36 19.084 11.915 -8.425
241 HA LEU 36 HA LEU 36 17.380 14.136 -7.516
242 HB2 LEU 36 HB2 LEU 36 19.594 15.132 -6.657
243 HB3 LEU 36 HB3 LEU 36 18.778 13.904 -5.692
244 HG LEU 36 HG LEU 36 20.361 12.219 -6.662
245 HD11 LEU 36 HD11 LEU 36 21.424 14.695 -7.936
246 HD12 LEU 36 HD12 LEU 36 21.223 13.078 -8.609
247 HD13 LEU 36 HD13 LEU 36 22.538 13.405 -7.481
248 HD21 LEU 36 HD21 LEU 36 21.863 14.406 -5.265
249 HD22 LEU 36 HD22 LEU 36 22.027 12.659 -5.089
250 HD23 LEU 36 HD23 LEU 36 20.607 13.482 -4.441
Start of MODEL 7
1 H1 GLY 1 H GLY 1 0.694 0.367 0.381
2 HA2 GLY 1 HA2 GLY 1 1.744 0.149 -1.895
3 HA3 GLY 1 HA3 GLY 1 2.847 0.771 -0.676
4 H ALA 2 H ALA 2 3.590 -0.610 -3.059
5 HA ALA 2 HA ALA 2 5.139 -2.759 -1.841
6 HB1 ALA 2 HB1 ALA 2 3.308 -3.160 -4.196
7 HB2 ALA 2 HB2 ALA 2 4.626 -4.261 -3.794
8 HB3 ALA 2 HB3 ALA 2 3.301 -4.019 -2.655
9 H CYS 3 H CYS 3 7.112 -1.926 -2.185
10 HA CYS 3 HA CYS 3 8.067 -1.714 -4.898
11 HB2 CYS 3 HB2 CYS 3 8.984 0.597 -4.550
12 HB3 CYS 3 HB3 CYS 3 7.230 0.525 -4.688
13 H LEU 4 H LEU 4 10.478 -0.652 -4.636
14 HA LEU 4 HA LEU 4 11.746 -2.253 -2.514
15 HB2 LEU 4 HB2 LEU 4 12.871 -1.432 -5.188
16 HB3 LEU 4 HB3 LEU 4 13.700 -2.404 -3.973
17 HG LEU 4 HG LEU 4 11.163 -3.272 -5.348
18 HD11 LEU 4 HD11 LEU 4 12.420 -4.489 -6.902
19 HD12 LEU 4 HD12 LEU 4 13.923 -4.242 -6.015
20 HD13 LEU 4 HD13 LEU 4 13.174 -2.895 -6.872
21 HD21 LEU 4 HD21 LEU 4 12.260 -5.529 -4.598
22 HD22 LEU 4 HD22 LEU 4 11.316 -4.569 -3.459
23 HD23 LEU 4 HD23 LEU 4 13.079 -4.501 -3.422
24 H GLY 5 H GLY 5 12.759 -1.163 -0.968
25 HA2 GLY 5 HA2 GLY 5 13.034 1.677 -1.077
26 HA3 GLY 5 HA3 GLY 5 13.605 0.627 0.211
27 H PHE 6 H PHE 6 15.276 2.516 -0.114
28 HA PHE 6 HA PHE 6 17.122 2.310 -2.251
29 HB2 PHE 6 HB2 PHE 6 16.900 4.349 -0.905
30 HB3 PHE 6 HB3 PHE 6 17.496 3.487 0.511
31 HD1 PHE 6 HD2 PHE 6 18.419 4.760 -2.825
32 HD2 PHE 6 HD1 PHE 6 19.808 3.174 0.872
33 HE1 PHE 6 HE2 PHE 6 20.725 5.366 -3.435
34 HE2 PHE 6 HE1 PHE 6 22.116 3.778 0.269
35 HZ PHE 6 HZ PHE 6 22.576 4.877 -1.887
36 H GLY 7 H GLY 7 18.884 1.067 -2.534
37 HA2 GLY 7 HA2 GLY 7 20.698 -0.281 -1.914
38 HA3 GLY 7 HA3 GLY 7 20.058 -0.352 -0.279
39 H LYS 8 H LYS 8 17.764 -0.972 -2.717
40 HA LYS 8 HA LYS 8 17.789 -3.814 -2.006
41 HB2 LYS 8 HB2 LYS 8 15.658 -2.143 -3.353
42 HB3 LYS 8 HB3 LYS 8 15.500 -3.847 -2.945
43 HG2 LYS 8 HG2 LYS 8 15.965 -1.649 -0.942
44 HG3 LYS 8 HG3 LYS 8 14.388 -2.333 -1.341
45 HD2 LYS 8 HD2 LYS 8 15.461 -4.598 -0.743
46 HD3 LYS 8 HD3 LYS 8 16.713 -3.632 0.041
47 HE2 LYS 8 HE2 LYS 8 13.906 -2.939 0.667
48 HE3 LYS 8 HE3 LYS 8 14.501 -4.474 1.299
49 HZ1 LYS 8 HZ1 LYS 8 14.786 -2.407 2.734
50 HZ2 LYS 8 HZ2 LYS 8 16.025 -1.970 1.669
51 HZ3 LYS 8 HZ3 LYS 8 16.133 -3.412 2.546
52 H SER 9 H SER 9 17.561 -5.438 -3.620
53 HA SER 9 HA SER 9 19.038 -4.826 -6.028
54 HB2 SER 9 HB2 SER 9 18.826 -7.305 -6.432
55 HB3 SER 9 HB3 SER 9 19.611 -6.876 -4.912
56 HG SER 9 HG SER 9 17.598 -8.467 -5.180
57 H CYS 10 H CYS 10 17.946 -3.876 -7.627
58 HA CYS 10 HA CYS 10 15.295 -4.954 -8.331
59 HB2 CYS 10 HB2 CYS 10 14.866 -2.724 -9.376
60 HB3 CYS 10 HB3 CYS 10 15.080 -2.660 -7.630
61 H ASN 11 H ASN 11 14.802 -4.344 -10.756
62 HA ASN 11 HA ASN 11 17.090 -5.323 -12.326
63 HB2 ASN 11 HB2 ASN 11 14.887 -6.670 -12.154
64 HB3 ASN 11 HB3 ASN 11 14.224 -5.446 -13.234
65 HD21 ASN 11 HD21 ASN 11 14.383 -5.833 -15.317
66 HD22 ASN 11 HD22 ASN 11 15.502 -6.913 -16.069
67 HA PRO 12 HA PRO 12 17.209 -1.438 -14.416
68 HB2 PRO 12 HB2 PRO 12 18.653 -2.215 -16.580
69 HB3 PRO 12 HB3 PRO 12 19.367 -1.989 -14.979
70 HG2 PRO 12 HG2 PRO 12 18.508 -4.518 -16.331
71 HG3 PRO 12 HG3 PRO 12 19.974 -4.197 -15.387
72 HD2 PRO 12 HD2 PRO 12 17.831 -5.489 -14.354
73 HD3 PRO 12 HD3 PRO 12 18.884 -4.451 -13.372
74 H SER 13 H SER 13 16.402 -4.342 -16.303
75 HA SER 13 HA SER 13 15.196 -2.968 -18.458
76 HB2 SER 13 HB2 SER 13 16.001 -5.414 -18.355
77 HB3 SER 13 HB3 SER 13 14.440 -5.760 -17.611
78 HG SER 13 HG SER 13 13.417 -5.147 -19.453
79 H ASN 14 H ASN 14 14.088 -3.820 -15.303
80 HA ASN 14 HA ASN 14 11.504 -2.584 -15.900
81 HB2 ASN 14 HB2 ASN 14 11.515 -5.220 -15.892
82 HB3 ASN 14 HB3 ASN 14 11.522 -5.007 -14.144
83 HD21 ASN 14 HD21 ASN 14 9.473 -5.944 -13.997
84 HD22 ASN 14 HD22 ASN 14 8.046 -5.081 -14.451
85 H ASP 15 H ASP 15 12.977 -0.941 -14.767
86 HA ASP 15 HA ASP 15 13.746 -1.076 -12.127
87 HB2 ASP 15 HB2 ASP 15 13.538 1.380 -12.081
88 HB3 ASP 15 HB3 ASP 15 14.300 0.818 -13.566
89 H GLN 16 H GLN 16 12.636 -1.581 -10.368
90 HA GLN 16 HA GLN 16 9.923 -0.508 -10.049
91 HB2 GLN 16 HB2 GLN 16 10.750 -3.347 -9.419
92 HB3 GLN 16 HB3 GLN 16 9.179 -2.639 -9.067
93 HG2 GLN 16 HG2 GLN 16 9.584 -2.188 -11.786
94 HG3 GLN 16 HG3 GLN 16 10.155 -3.831 -11.496
95 HE21 GLN 16 HE21 GLN 16 7.427 -1.702 -11.506
96 HE22 GLN 16 HE22 GLN 16 6.212 -2.917 -11.329
97 H CYS 17 H CYS 17 11.136 1.061 -8.758
98 HA CYS 17 HA CYS 17 11.827 0.003 -6.094
99 HB2 CYS 17 HB2 CYS 17 12.911 2.411 -7.564
100 HB3 CYS 17 HB3 CYS 17 13.224 2.086 -5.862
101 H CYS 18 H CYS 18 11.816 2.175 -4.556
102 HA CYS 18 HA CYS 18 8.998 2.852 -4.438
103 HB2 CYS 18 HB2 CYS 18 11.306 3.382 -2.562
104 HB3 CYS 18 HB3 CYS 18 9.663 3.936 -2.260
105 H LYS 19 H LYS 19 8.386 4.452 -5.759
106 HA LYS 19 HA LYS 19 10.051 6.584 -6.589
107 HB2 LYS 19 HB2 LYS 19 7.031 6.513 -6.619
108 HB3 LYS 19 HB3 LYS 19 8.077 7.505 -7.627
109 HG2 LYS 19 HG2 LYS 19 7.988 4.497 -7.704
110 HG3 LYS 19 HG3 LYS 19 7.111 5.559 -8.807
111 HD2 LYS 19 HD2 LYS 19 10.059 5.899 -8.481
112 HD3 LYS 19 HD3 LYS 19 9.445 4.579 -9.480
113 HE2 LYS 19 HE2 LYS 19 9.663 6.254 -11.040
114 HE3 LYS 19 HE3 LYS 19 7.982 6.463 -10.549
115 HZ1 LYS 19 HZ1 LYS 19 9.697 8.460 -10.631
116 HZ2 LYS 19 HZ2 LYS 19 9.991 7.948 -9.046
117 HZ3 LYS 19 HZ3 LYS 19 8.430 8.405 -9.511
118 H SER 20 H SER 20 7.759 6.199 -3.964
119 HA SER 20 HA SER 20 7.370 8.850 -3.233
120 HB2 SER 20 HB2 SER 20 7.370 6.271 -1.698
121 HB3 SER 20 HB3 SER 20 7.186 7.803 -0.843
122 HG SER 20 HG SER 20 5.172 6.874 -1.467
123 H SER 21 H SER 21 10.069 6.699 -2.589
124 HA SER 21 HA SER 21 11.380 8.742 -0.957
125 HB2 SER 21 HB2 SER 21 12.198 5.892 -1.577
126 HB3 SER 21 HB3 SER 21 13.056 6.984 -0.489
127 HG SER 21 HG SER 21 11.715 6.388 0.997
128 H SER 22 H SER 22 10.966 8.754 -3.977
129 HA SER 22 HA SER 22 12.110 9.315 -5.867
130 HB2 SER 22 HB2 SER 22 13.697 10.574 -3.658
131 HB3 SER 22 HB3 SER 22 14.289 10.673 -5.316
132 HG SER 22 HG SER 22 12.276 11.620 -5.882
133 H LEU 23 H LEU 23 12.436 6.764 -5.620
134 HA LEU 23 HA LEU 23 15.325 6.223 -5.791
135 HB2 LEU 23 HB2 LEU 23 13.021 4.386 -5.164
136 HB3 LEU 23 HB3 LEU 23 14.676 3.840 -5.427
137 HG LEU 23 HG LEU 23 13.712 5.614 -3.184
138 HD11 LEU 23 HD11 LEU 23 14.912 2.881 -2.932
139 HD12 LEU 23 HD12 LEU 23 13.182 3.100 -3.193
140 HD13 LEU 23 HD13 LEU 23 13.952 3.789 -1.764
141 HD21 LEU 23 HD21 LEU 23 16.468 4.530 -3.760
142 HD22 LEU 23 HD22 LEU 23 15.988 5.429 -2.321
143 HD23 LEU 23 HD23 LEU 23 15.969 6.216 -3.900
144 H ALA 24 H ALA 24 15.963 4.553 -7.375
145 HA ALA 24 HA ALA 24 14.211 3.914 -9.544
146 HB1 ALA 24 HB1 ALA 24 15.717 5.141 -11.237
147 HB2 ALA 24 HB2 ALA 24 14.501 6.071 -10.361
148 HB3 ALA 24 HB3 ALA 24 16.191 6.139 -9.862
149 H CYS 25 H CYS 25 15.138 2.450 -11.033
150 HA CYS 25 HA CYS 25 17.511 1.104 -9.985
151 HB2 CYS 25 HB2 CYS 25 15.216 -0.011 -10.624
152 HB3 CYS 25 HB3 CYS 25 15.878 0.034 -12.255
153 H SER 26 H SER 26 19.412 1.613 -10.827
154 HA SER 26 HA SER 26 19.543 2.644 -13.566
155 HB2 SER 26 HB2 SER 26 20.705 3.588 -11.291
156 HB3 SER 26 HB3 SER 26 22.010 2.599 -11.946
157 HG SER 26 HG SER 26 20.610 4.636 -13.345
158 H THR 27 H THR 27 20.745 1.694 -15.158
159 HA THR 27 HA THR 27 21.293 -1.109 -14.859
160 HB THR 27 HB THR 27 22.142 0.463 -17.265
161 HG1 THR 27 HG1 THR 27 19.503 -0.064 -16.392
162 HG21 THR 27 HG21 THR 27 20.927 -1.728 -18.199
163 HG22 THR 27 HG22 THR 27 21.388 -2.328 -16.606
164 HG23 THR 27 HG23 THR 27 22.621 -1.718 -17.709
165 H LYS 28 H LYS 28 23.006 1.508 -13.937
166 HA LYS 28 HA LYS 28 25.626 0.582 -14.794
167 HB2 LYS 28 HB2 LYS 28 24.616 3.076 -14.249
168 HB3 LYS 28 HB3 LYS 28 25.517 2.716 -12.782
169 HG2 LYS 28 HG2 LYS 28 27.510 2.884 -13.806
170 HG3 LYS 28 HG3 LYS 28 26.928 2.135 -15.295
171 HD2 LYS 28 HD2 LYS 28 27.053 4.199 -16.160
172 HD3 LYS 28 HD3 LYS 28 25.563 4.508 -15.267
173 HE2 LYS 28 HE2 LYS 28 26.987 6.273 -14.678
174 HE3 LYS 28 HE3 LYS 28 27.071 5.159 -13.315
175 HZ1 LYS 28 HZ1 LYS 28 29.039 4.780 -15.426
176 HZ2 LYS 28 HZ2 LYS 28 29.211 4.646 -13.749
177 HZ3 LYS 28 HZ3 LYS 28 29.216 6.171 -14.480
178 H HIS 29 H HIS 29 23.889 1.106 -11.732
179 HA HIS 29 HA HIS 29 25.861 -0.611 -10.389
180 HB2 HIS 29 HB2 HIS 29 23.919 1.440 -9.323
181 HB3 HIS 29 HB3 HIS 29 24.805 0.331 -8.280
182 HD1 HIS 29 HD1 HIS 29 27.536 0.524 -9.856
183 HD2 HIS 29 HD2 HIS 29 25.239 3.734 -8.558
184 HE1 HIS 29 HE1 HIS 29 29.130 2.460 -9.670
185 H LYS 30 H LYS 30 22.631 -0.485 -11.491
186 HA LYS 30 HA LYS 30 20.888 -1.942 -11.389
187 HB2 LYS 30 HB2 LYS 30 23.244 -3.670 -10.777
188 HB3 LYS 30 HB3 LYS 30 21.635 -4.341 -10.545
189 HG2 LYS 30 HG2 LYS 30 21.266 -3.397 -12.979
190 HG3 LYS 30 HG3 LYS 30 23.023 -3.553 -13.048
191 HD2 LYS 30 HD2 LYS 30 21.134 -5.769 -12.258
192 HD3 LYS 30 HD3 LYS 30 21.816 -5.560 -13.872
193 HE2 LYS 30 HE2 LYS 30 23.456 -5.896 -11.365
194 HE3 LYS 30 HE3 LYS 30 23.022 -7.217 -12.448
195 HZ1 LYS 30 HZ1 LYS 30 24.102 -5.231 -14.039
196 HZ2 LYS 30 HZ2 LYS 30 24.809 -6.711 -13.629
197 HZ3 LYS 30 HZ3 LYS 30 25.121 -5.337 -12.693
198 H TRP 31 H TRP 31 20.499 -0.338 -9.480
199 HA TRP 31 HA TRP 31 19.293 -1.817 -7.396
200 HB2 TRP 31 HB2 TRP 31 20.635 -1.281 -5.517
201 HB3 TRP 31 HB3 TRP 31 21.753 -1.885 -6.737
202 HD1 TRP 31 HD1 TRP 31 22.001 0.863 -8.411
203 HE1 TRP 31 HE1 TRP 31 23.371 2.796 -7.405
204 HE3 TRP 31 HE3 TRP 31 21.886 -0.534 -3.495
205 HZ2 TRP 31 HZ2 TRP 31 24.283 3.619 -4.864
206 HZ3 TRP 31 HZ3 TRP 31 23.033 0.880 -1.840
207 HH2 TRP 31 HH2 TRP 31 24.206 2.913 -2.512
208 H CYS 32 H CYS 32 18.172 -0.440 -5.846
209 HA CYS 32 HA CYS 32 17.033 1.832 -7.083
210 HB2 CYS 32 HB2 CYS 32 16.887 0.954 -4.190
211 HB3 CYS 32 HB3 CYS 32 15.829 2.135 -4.956
212 H LYS 33 H LYS 33 18.562 3.382 -7.539
213 HA LYS 33 HA LYS 33 20.094 4.499 -5.303
214 HB2 LYS 33 HB2 LYS 33 21.295 5.757 -7.126
215 HB3 LYS 33 HB3 LYS 33 21.475 4.008 -7.180
216 HG2 LYS 33 HG2 LYS 33 20.321 3.808 -9.119
217 HG3 LYS 33 HG3 LYS 33 19.270 5.182 -8.767
218 HD2 LYS 33 HD2 LYS 33 20.710 5.745 -10.614
219 HD3 LYS 33 HD3 LYS 33 21.186 6.696 -9.205
220 HE2 LYS 33 HE2 LYS 33 23.143 5.517 -8.906
221 HE3 LYS 33 HE3 LYS 33 22.529 4.083 -9.727
222 HZ1 LYS 33 HZ1 LYS 33 22.594 6.237 -11.537
223 HZ2 LYS 33 HZ2 LYS 33 23.448 4.778 -11.600
224 HZ3 LYS 33 HZ3 LYS 33 24.107 6.110 -10.791
225 H TYR 34 H TYR 34 19.973 6.658 -4.726
226 HA TYR 34 HA TYR 34 17.478 7.902 -4.891
227 HB2 TYR 34 HB2 TYR 34 20.205 8.838 -4.060
228 HB3 TYR 34 HB3 TYR 34 18.868 9.980 -4.143
229 HD1 TYR 34 HD1 TYR 34 16.600 8.570 -3.108
230 HD2 TYR 34 HD2 TYR 34 20.659 8.355 -1.849
231 HE1 TYR 34 HE1 TYR 34 15.863 7.875 -0.867
232 HE2 TYR 34 HE2 TYR 34 19.933 7.659 0.395
233 HH TYR 34 HH TYR 34 16.566 6.949 1.098
234 H GLU 35 H GLU 35 16.531 9.045 -6.438
235 HA GLU 35 HA GLU 35 17.941 9.670 -8.863
236 HB2 GLU 35 HB2 GLU 35 15.106 9.951 -7.929
237 HB3 GLU 35 HB3 GLU 35 15.633 10.770 -9.393
238 HG2 GLU 35 HG2 GLU 35 16.362 8.595 -10.304
239 HG3 GLU 35 HG3 GLU 35 15.718 7.809 -8.864
240 H LEU 36 H LEU 36 19.331 11.329 -8.791
241 HA LEU 36 HA LEU 36 18.593 13.768 -7.354
242 HB2 LEU 36 HB2 LEU 36 21.208 13.205 -8.723
243 HB3 LEU 36 HB3 LEU 36 20.870 14.396 -7.469
244 HG LEU 36 HG LEU 36 20.917 11.402 -7.090
245 HD11 LEU 36 HD11 LEU 36 23.081 12.946 -7.431
246 HD12 LEU 36 HD12 LEU 36 23.043 11.556 -6.346
247 HD13 LEU 36 HD13 LEU 36 22.818 13.183 -5.703
248 HD21 LEU 36 HD21 LEU 36 20.507 13.660 -5.134
249 HD22 LEU 36 HD22 LEU 36 20.775 11.974 -4.689
250 HD23 LEU 36 HD23 LEU 36 19.329 12.429 -5.592
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.040 -0.323 -3.082
2 HA2 GLY 1 HA2 GLY 1 2.503 0.913 -0.833
3 HA3 GLY 1 HA3 GLY 1 1.230 -0.284 -0.643
4 H ALA 2 H ALA 2 3.533 -0.696 -3.187
5 HA ALA 2 HA ALA 2 5.200 -2.474 -1.588
6 HB1 ALA 2 HB1 ALA 2 4.715 -4.435 -2.670
7 HB2 ALA 2 HB2 ALA 2 3.126 -3.670 -2.664
8 HB3 ALA 2 HB3 ALA 2 4.123 -3.620 -4.117
9 H CYS 3 H CYS 3 7.133 -1.598 -1.999
10 HA CYS 3 HA CYS 3 8.072 -1.557 -4.754
11 HB2 CYS 3 HB2 CYS 3 9.043 0.736 -4.445
12 HB3 CYS 3 HB3 CYS 3 7.286 0.700 -4.543
13 H LEU 4 H LEU 4 10.510 -0.544 -4.549
14 HA LEU 4 HA LEU 4 11.787 -2.160 -2.443
15 HB2 LEU 4 HB2 LEU 4 12.876 -1.368 -5.140
16 HB3 LEU 4 HB3 LEU 4 13.710 -2.351 -3.938
17 HG LEU 4 HG LEU 4 11.133 -3.174 -5.267
18 HD11 LEU 4 HD11 LEU 4 12.327 -4.396 -6.850
19 HD12 LEU 4 HD12 LEU 4 13.846 -4.237 -5.969
20 HD13 LEU 4 HD13 LEU 4 13.161 -2.842 -6.804
21 HD21 LEU 4 HD21 LEU 4 13.070 -4.454 -3.388
22 HD22 LEU 4 HD22 LEU 4 12.156 -5.450 -4.521
23 HD23 LEU 4 HD23 LEU 4 11.307 -4.442 -3.349
24 H GLY 5 H GLY 5 12.718 -1.025 -0.881
25 HA2 GLY 5 HA2 GLY 5 13.093 1.788 -1.030
26 HA3 GLY 5 HA3 GLY 5 13.651 0.737 0.264
27 H PHE 6 H PHE 6 15.360 2.585 -0.080
28 HA PHE 6 HA PHE 6 17.188 2.331 -2.226
29 HB2 PHE 6 HB2 PHE 6 17.020 4.379 -0.885
30 HB3 PHE 6 HB3 PHE 6 17.603 3.509 0.530
31 HD1 PHE 6 HD2 PHE 6 18.542 4.720 -2.829
32 HD2 PHE 6 HD1 PHE 6 19.906 3.175 0.895
33 HE1 PHE 6 HE2 PHE 6 20.857 5.272 -3.451
34 HE2 PHE 6 HE1 PHE 6 22.224 3.726 0.279
35 HZ PHE 6 HZ PHE 6 22.702 4.777 -1.896
36 H GLY 7 H GLY 7 18.930 1.060 -2.512
37 HA2 GLY 7 HA2 GLY 7 20.714 -0.331 -1.904
38 HA3 GLY 7 HA3 GLY 7 20.087 -0.380 -0.263
39 H LYS 8 H LYS 8 17.792 -0.967 -2.725
40 HA LYS 8 HA LYS 8 17.757 -3.807 -1.990
41 HB2 LYS 8 HB2 LYS 8 15.636 -2.102 -3.308
42 HB3 LYS 8 HB3 LYS 8 15.454 -3.799 -2.886
43 HG2 LYS 8 HG2 LYS 8 16.028 -1.629 -0.883
44 HG3 LYS 8 HG3 LYS 8 14.408 -2.203 -1.284
45 HD2 LYS 8 HD2 LYS 8 16.508 -4.167 -0.474
46 HD3 LYS 8 HD3 LYS 8 15.697 -3.202 0.762
47 HE2 LYS 8 HE2 LYS 8 13.538 -4.023 0.025
48 HE3 LYS 8 HE3 LYS 8 14.300 -4.917 -1.290
49 HZ1 LYS 8 HZ1 LYS 8 13.700 -6.012 1.040
50 HZ2 LYS 8 HZ2 LYS 8 15.267 -5.484 1.396
51 HZ3 LYS 8 HZ3 LYS 8 15.004 -6.534 0.096
52 H SER 9 H SER 9 17.604 -5.434 -3.562
53 HA SER 9 HA SER 9 19.012 -4.842 -6.001
54 HB2 SER 9 HB2 SER 9 17.763 -7.511 -5.492
55 HB3 SER 9 HB3 SER 9 19.324 -7.124 -6.215
56 HG SER 9 HG SER 9 18.607 -7.359 -3.533
57 H CYS 10 H CYS 10 17.919 -3.874 -7.590
58 HA CYS 10 HA CYS 10 15.244 -4.910 -8.266
59 HB2 CYS 10 HB2 CYS 10 14.846 -2.673 -9.313
60 HB3 CYS 10 HB3 CYS 10 15.069 -2.614 -7.568
61 H ASN 11 H ASN 11 14.737 -4.294 -10.687
62 HA ASN 11 HA ASN 11 16.988 -5.321 -12.278
63 HB2 ASN 11 HB2 ASN 11 14.705 -6.573 -12.074
64 HB3 ASN 11 HB3 ASN 11 14.139 -5.361 -13.220
65 HD21 ASN 11 HD21 ASN 11 14.248 -5.946 -15.252
66 HD22 ASN 11 HD22 ASN 11 15.373 -7.064 -15.937
67 HA PRO 12 HA PRO 12 17.193 -1.439 -14.365
68 HB2 PRO 12 HB2 PRO 12 18.594 -2.251 -16.545
69 HB3 PRO 12 HB3 PRO 12 19.330 -2.048 -14.951
70 HG2 PRO 12 HG2 PRO 12 18.388 -4.550 -16.298
71 HG3 PRO 12 HG3 PRO 12 19.872 -4.271 -15.368
72 HD2 PRO 12 HD2 PRO 12 17.704 -5.505 -14.316
73 HD3 PRO 12 HD3 PRO 12 18.795 -4.498 -13.343
74 H SER 13 H SER 13 16.285 -4.317 -16.246
75 HA SER 13 HA SER 13 15.079 -2.884 -18.373
76 HB2 SER 13 HB2 SER 13 15.873 -5.335 -18.337
77 HB3 SER 13 HB3 SER 13 14.321 -5.690 -17.579
78 HG SER 13 HG SER 13 14.378 -5.860 -19.927
79 H ASN 14 H ASN 14 14.007 -3.800 -15.224
80 HA ASN 14 HA ASN 14 11.408 -2.566 -15.777
81 HB2 ASN 14 HB2 ASN 14 11.453 -5.206 -15.744
82 HB3 ASN 14 HB3 ASN 14 11.474 -4.970 -13.998
83 HD21 ASN 14 HD21 ASN 14 9.409 -6.218 -15.456
84 HD22 ASN 14 HD22 ASN 14 7.979 -5.264 -15.276
85 H ASP 15 H ASP 15 12.937 -0.922 -14.680
86 HA ASP 15 HA ASP 15 13.721 -1.041 -12.043
87 HB2 ASP 15 HB2 ASP 15 13.573 1.411 -12.023
88 HB3 ASP 15 HB3 ASP 15 14.281 0.828 -13.527
89 H GLN 16 H GLN 16 12.610 -1.524 -10.279
90 HA GLN 16 HA GLN 16 9.918 -0.400 -9.949
91 HB2 GLN 16 HB2 GLN 16 10.697 -3.245 -9.288
92 HB3 GLN 16 HB3 GLN 16 9.135 -2.505 -8.960
93 HG2 GLN 16 HG2 GLN 16 9.573 -2.102 -11.682
94 HG3 GLN 16 HG3 GLN 16 10.109 -3.750 -11.362
95 HE21 GLN 16 HE21 GLN 16 7.588 -2.108 -12.428
96 HE22 GLN 16 HE22 GLN 16 6.284 -3.088 -11.857
97 H CYS 17 H CYS 17 11.167 1.158 -8.678
98 HA CYS 17 HA CYS 17 11.855 0.109 -6.010
99 HB2 CYS 17 HB2 CYS 17 12.972 2.489 -7.500
100 HB3 CYS 17 HB3 CYS 17 13.293 2.162 -5.800
101 H CYS 18 H CYS 18 11.890 2.289 -4.487
102 HA CYS 18 HA CYS 18 9.087 3.011 -4.349
103 HB2 CYS 18 HB2 CYS 18 11.421 3.570 -2.511
104 HB3 CYS 18 HB3 CYS 18 9.772 4.101 -2.193
105 H LYS 19 H LYS 19 8.502 4.579 -5.728
106 HA LYS 19 HA LYS 19 10.181 6.689 -6.582
107 HB2 LYS 19 HB2 LYS 19 7.161 6.662 -6.625
108 HB3 LYS 19 HB3 LYS 19 8.233 7.589 -7.667
109 HG2 LYS 19 HG2 LYS 19 8.020 4.585 -7.631
110 HG3 LYS 19 HG3 LYS 19 7.250 5.654 -8.807
111 HD2 LYS 19 HD2 LYS 19 9.603 6.529 -9.286
112 HD3 LYS 19 HD3 LYS 19 10.180 5.120 -8.394
113 HE2 LYS 19 HE2 LYS 19 9.141 3.628 -9.942
114 HE3 LYS 19 HE3 LYS 19 8.297 4.954 -10.740
115 HZ1 LYS 19 HZ1 LYS 19 11.126 5.344 -10.707
116 HZ2 LYS 19 HZ2 LYS 19 10.053 5.363 -12.014
117 HZ3 LYS 19 HZ3 LYS 19 10.705 3.897 -11.476
118 H SER 20 H SER 20 7.870 6.365 -3.966
119 HA SER 20 HA SER 20 7.516 9.042 -3.287
120 HB2 SER 20 HB2 SER 20 7.655 6.682 -1.395
121 HB3 SER 20 HB3 SER 20 6.898 8.239 -1.062
122 HG SER 20 HG SER 20 5.549 7.741 -2.964
123 H SER 21 H SER 21 10.143 6.832 -2.551
124 HA SER 21 HA SER 21 11.468 8.851 -0.906
125 HB2 SER 21 HB2 SER 21 12.499 6.086 -1.546
126 HB3 SER 21 HB3 SER 21 12.954 7.130 -0.200
127 HG SER 21 HG SER 21 11.020 5.309 -0.292
128 H SER 22 H SER 22 11.107 8.858 -3.941
129 HA SER 22 HA SER 22 12.293 9.419 -5.804
130 HB2 SER 22 HB2 SER 22 13.847 10.640 -3.556
131 HB3 SER 22 HB3 SER 22 14.509 10.710 -5.189
132 HG SER 22 HG SER 22 13.152 12.247 -5.593
133 H LEU 23 H LEU 23 12.555 6.878 -5.633
134 HA LEU 23 HA LEU 23 15.435 6.273 -5.763
135 HB2 LEU 23 HB2 LEU 23 13.101 4.482 -5.120
136 HB3 LEU 23 HB3 LEU 23 14.743 3.903 -5.389
137 HG LEU 23 HG LEU 23 13.819 5.698 -3.147
138 HD11 LEU 23 HD11 LEU 23 13.272 3.181 -3.158
139 HD12 LEU 23 HD12 LEU 23 14.030 3.875 -1.726
140 HD13 LEU 23 HD13 LEU 23 14.999 2.960 -2.880
141 HD21 LEU 23 HD21 LEU 23 16.073 6.282 -3.863
142 HD22 LEU 23 HD22 LEU 23 16.559 4.590 -3.754
143 HD23 LEU 23 HD23 LEU 23 16.103 5.473 -2.296
144 H ALA 24 H ALA 24 16.044 4.592 -7.344
145 HA ALA 24 HA ALA 24 14.276 3.967 -9.503
146 HB1 ALA 24 HB1 ALA 24 16.208 6.220 -9.788
147 HB2 ALA 24 HB2 ALA 24 15.892 5.174 -11.173
148 HB3 ALA 24 HB3 ALA 24 14.567 6.056 -10.413
149 H CYS 25 H CYS 25 15.179 2.487 -10.992
150 HA CYS 25 HA CYS 25 17.541 1.117 -9.948
151 HB2 CYS 25 HB2 CYS 25 15.230 0.022 -10.558
152 HB3 CYS 25 HB3 CYS 25 15.875 0.052 -12.196
153 H SER 26 H SER 26 19.442 1.593 -10.809
154 HA SER 26 HA SER 26 19.569 2.631 -13.542
155 HB2 SER 26 HB2 SER 26 20.816 3.467 -11.248
156 HB3 SER 26 HB3 SER 26 22.073 2.491 -12.007
157 HG SER 26 HG SER 26 21.388 3.794 -13.980
158 H THR 27 H THR 27 20.712 1.661 -15.165
159 HA THR 27 HA THR 27 21.172 -1.163 -14.906
160 HB THR 27 HB THR 27 22.027 0.413 -17.310
161 HG1 THR 27 HG1 THR 27 19.359 -0.449 -17.070
162 HG21 THR 27 HG21 THR 27 21.557 -2.349 -16.634
163 HG22 THR 27 HG22 THR 27 22.286 -1.662 -18.085
164 HG23 THR 27 HG23 THR 27 20.537 -1.861 -17.986
165 H LYS 28 H LYS 28 22.984 1.380 -13.978
166 HA LYS 28 HA LYS 28 25.557 0.344 -14.875
167 HB2 LYS 28 HB2 LYS 28 24.557 2.884 -13.818
168 HB3 LYS 28 HB3 LYS 28 26.097 2.400 -13.118
169 HG2 LYS 28 HG2 LYS 28 27.221 2.610 -15.089
170 HG3 LYS 28 HG3 LYS 28 25.797 2.251 -16.068
171 HD2 LYS 28 HD2 LYS 28 25.889 4.479 -16.471
172 HD3 LYS 28 HD3 LYS 28 24.995 4.554 -14.951
173 HE2 LYS 28 HE2 LYS 28 26.973 5.048 -13.723
174 HE3 LYS 28 HE3 LYS 28 27.999 4.692 -15.111
175 HZ1 LYS 28 HZ1 LYS 28 26.891 6.594 -16.251
176 HZ2 LYS 28 HZ2 LYS 28 27.839 7.033 -14.921
177 HZ3 LYS 28 HZ3 LYS 28 26.154 6.990 -14.780
178 H HIS 29 H HIS 29 23.888 1.030 -11.807
179 HA HIS 29 HA HIS 29 25.822 -0.694 -10.427
180 HB2 HIS 29 HB2 HIS 29 23.878 1.374 -9.393
181 HB3 HIS 29 HB3 HIS 29 24.806 0.307 -8.342
182 HD1 HIS 29 HD1 HIS 29 27.500 0.506 -9.973
183 HD2 HIS 29 HD2 HIS 29 25.170 3.711 -8.724
184 HE1 HIS 29 HE1 HIS 29 29.062 2.474 -9.873
185 H LYS 30 H LYS 30 22.572 -0.535 -11.500
186 HA LYS 30 HA LYS 30 20.812 -1.968 -11.359
187 HB2 LYS 30 HB2 LYS 30 23.152 -3.728 -10.773
188 HB3 LYS 30 HB3 LYS 30 21.534 -4.374 -10.527
189 HG2 LYS 30 HG2 LYS 30 21.153 -3.434 -12.956
190 HG3 LYS 30 HG3 LYS 30 22.909 -3.598 -13.044
191 HD2 LYS 30 HD2 LYS 30 21.072 -5.822 -12.170
192 HD3 LYS 30 HD3 LYS 30 21.598 -5.594 -13.839
193 HE2 LYS 30 HE2 LYS 30 23.165 -7.096 -13.083
194 HE3 LYS 30 HE3 LYS 30 23.984 -5.567 -12.770
195 HZ1 LYS 30 HZ1 LYS 30 22.319 -6.807 -10.681
196 HZ2 LYS 30 HZ2 LYS 30 23.612 -5.730 -10.514
197 HZ3 LYS 30 HZ3 LYS 30 23.904 -7.344 -10.930
198 H TRP 31 H TRP 31 20.482 -0.350 -9.449
199 HA TRP 31 HA TRP 31 19.295 -1.805 -7.337
200 HB2 TRP 31 HB2 TRP 31 20.679 -1.293 -5.488
201 HB3 TRP 31 HB3 TRP 31 21.773 -1.895 -6.731
202 HD1 TRP 31 HD1 TRP 31 22.037 0.838 -8.400
203 HE1 TRP 31 HE1 TRP 31 23.421 2.768 -7.406
204 HE3 TRP 31 HE3 TRP 31 21.923 -0.533 -3.476
205 HZ2 TRP 31 HZ2 TRP 31 24.343 3.598 -4.871
206 HZ3 TRP 31 HZ3 TRP 31 23.081 0.883 -1.831
207 HH2 TRP 31 HH2 TRP 31 24.266 2.905 -2.515
208 H CYS 32 H CYS 32 18.166 -0.432 -5.822
209 HA CYS 32 HA CYS 32 17.065 1.864 -7.034
210 HB2 CYS 32 HB2 CYS 32 16.924 0.991 -4.140
211 HB3 CYS 32 HB3 CYS 32 15.872 2.176 -4.907
212 H LYS 33 H LYS 33 18.636 3.376 -7.500
213 HA LYS 33 HA LYS 33 20.190 4.473 -5.271
214 HB2 LYS 33 HB2 LYS 33 21.394 5.720 -7.099
215 HB3 LYS 33 HB3 LYS 33 21.546 3.969 -7.165
216 HG2 LYS 33 HG2 LYS 33 20.382 3.799 -9.098
217 HG3 LYS 33 HG3 LYS 33 19.343 5.176 -8.723
218 HD2 LYS 33 HD2 LYS 33 20.777 5.737 -10.583
219 HD3 LYS 33 HD3 LYS 33 21.251 6.688 -9.173
220 HE2 LYS 33 HE2 LYS 33 23.207 5.498 -8.866
221 HE3 LYS 33 HE3 LYS 33 22.599 4.079 -9.717
222 HZ1 LYS 33 HZ1 LYS 33 23.552 6.628 -10.882
223 HZ2 LYS 33 HZ2 LYS 33 22.662 5.502 -11.776
224 HZ3 LYS 33 HZ3 LYS 33 24.167 5.072 -11.134
225 H TYR 34 H TYR 34 20.079 6.614 -4.658
226 HA TYR 34 HA TYR 34 17.603 7.897 -4.826
227 HB2 TYR 34 HB2 TYR 34 20.339 8.824 -3.990
228 HB3 TYR 34 HB3 TYR 34 18.974 9.935 -4.008
229 HD1 TYR 34 HD1 TYR 34 16.760 8.648 -2.906
230 HD2 TYR 34 HD2 TYR 34 20.848 8.063 -1.882
231 HE1 TYR 34 HE1 TYR 34 16.082 7.857 -0.678
232 HE2 TYR 34 HE2 TYR 34 20.181 7.269 0.348
233 HH TYR 34 HH TYR 34 18.464 6.648 1.645
234 H GLU 35 H GLU 35 16.697 9.175 -6.301
235 HA GLU 35 HA GLU 35 18.291 9.967 -8.621
236 HB2 GLU 35 HB2 GLU 35 15.453 9.349 -8.133
237 HB3 GLU 35 HB3 GLU 35 15.734 10.697 -9.225
238 HG2 GLU 35 HG2 GLU 35 17.346 8.291 -9.735
239 HG3 GLU 35 HG3 GLU 35 15.611 8.125 -9.999
240 H LEU 36 H LEU 36 19.263 11.877 -8.386
241 HA LEU 36 HA LEU 36 17.922 14.025 -6.930
242 HB2 LEU 36 HB2 LEU 36 20.721 13.580 -7.897
243 HB3 LEU 36 HB3 LEU 36 20.176 15.188 -7.426
244 HG LEU 36 HG LEU 36 19.810 12.944 -5.501
245 HD11 LEU 36 HD11 LEU 36 22.418 14.414 -5.662
246 HD12 LEU 36 HD12 LEU 36 22.170 12.879 -6.494
247 HD13 LEU 36 HD13 LEU 36 22.014 12.966 -4.740
248 HD21 LEU 36 HD21 LEU 36 20.822 15.247 -4.292
249 HD22 LEU 36 HD22 LEU 36 19.150 14.686 -4.289
250 HD23 LEU 36 HD23 LEU 36 19.696 15.823 -5.522
Start of MODEL 9
1 H1 GLY 1 H GLY 1 1.422 0.636 -1.739
2 HA2 GLY 1 HA2 GLY 1 3.391 1.141 -0.569
3 HA3 GLY 1 HA3 GLY 1 2.764 0.265 0.819
4 H ALA 2 H ALA 2 3.685 -0.425 -2.558
5 HA ALA 2 HA ALA 2 5.301 -2.668 -1.561
6 HB1 ALA 2 HB1 ALA 2 4.536 -4.065 -3.431
7 HB2 ALA 2 HB2 ALA 2 3.214 -3.622 -2.350
8 HB3 ALA 2 HB3 ALA 2 3.400 -2.799 -3.899
9 H CYS 3 H CYS 3 7.278 -1.816 -1.954
10 HA CYS 3 HA CYS 3 8.128 -1.613 -4.694
11 HB2 CYS 3 HB2 CYS 3 9.073 0.696 -4.406
12 HB3 CYS 3 HB3 CYS 3 7.315 0.633 -4.486
13 H LEU 4 H LEU 4 10.554 -0.565 -4.534
14 HA LEU 4 HA LEU 4 11.889 -2.151 -2.442
15 HB2 LEU 4 HB2 LEU 4 12.922 -1.358 -5.160
16 HB3 LEU 4 HB3 LEU 4 13.789 -2.323 -3.967
17 HG LEU 4 HG LEU 4 11.203 -3.188 -5.252
18 HD11 LEU 4 HD11 LEU 4 13.234 -2.838 -6.802
19 HD12 LEU 4 HD12 LEU 4 12.377 -4.378 -6.861
20 HD13 LEU 4 HD13 LEU 4 13.903 -4.251 -5.987
21 HD21 LEU 4 HD21 LEU 4 12.298 -5.445 -4.508
22 HD22 LEU 4 HD22 LEU 4 11.402 -4.461 -3.351
23 HD23 LEU 4 HD23 LEU 4 13.165 -4.413 -3.370
24 H GLY 5 H GLY 5 12.754 -0.960 -0.882
25 HA2 GLY 5 HA2 GLY 5 13.114 1.844 -1.067
26 HA3 GLY 5 HA3 GLY 5 13.696 0.814 0.233
27 H PHE 6 H PHE 6 15.383 2.671 -0.130
28 HA PHE 6 HA PHE 6 17.195 2.431 -2.292
29 HB2 PHE 6 HB2 PHE 6 17.014 4.482 -0.958
30 HB3 PHE 6 HB3 PHE 6 17.620 3.624 0.456
31 HD1 PHE 6 HD2 PHE 6 18.516 4.824 -2.919
32 HD2 PHE 6 HD1 PHE 6 19.929 3.327 0.806
33 HE1 PHE 6 HE2 PHE 6 20.819 5.402 -3.565
34 HE2 PHE 6 HE1 PHE 6 22.234 3.903 0.167
35 HZ PHE 6 HZ PHE 6 22.682 4.942 -2.020
36 H GLY 7 H GLY 7 18.968 1.196 -2.579
37 HA2 GLY 7 HA2 GLY 7 20.764 -0.179 -1.985
38 HA3 GLY 7 HA3 GLY 7 20.156 -0.224 -0.337
39 H LYS 8 H LYS 8 17.842 -0.855 -2.770
40 HA LYS 8 HA LYS 8 17.846 -3.689 -2.014
41 HB2 LYS 8 HB2 LYS 8 15.694 -2.016 -3.325
42 HB3 LYS 8 HB3 LYS 8 15.535 -3.714 -2.892
43 HG2 LYS 8 HG2 LYS 8 16.062 -1.492 -0.930
44 HG3 LYS 8 HG3 LYS 8 14.473 -2.176 -1.278
45 HD2 LYS 8 HD2 LYS 8 16.829 -3.765 -0.267
46 HD3 LYS 8 HD3 LYS 8 15.551 -3.113 0.762
47 HE2 LYS 8 HE2 LYS 8 14.641 -5.155 0.428
48 HE3 LYS 8 HE3 LYS 8 14.053 -4.401 -1.054
49 HZ1 LYS 8 HZ1 LYS 8 15.061 -6.084 -2.079
50 HZ2 LYS 8 HZ2 LYS 8 15.962 -6.517 -0.714
51 HZ3 LYS 8 HZ3 LYS 8 16.518 -5.294 -1.742
52 H SER 9 H SER 9 17.688 -5.330 -3.575
53 HA SER 9 HA SER 9 19.067 -4.739 -6.033
54 HB2 SER 9 HB2 SER 9 18.103 -7.250 -4.697
55 HB3 SER 9 HB3 SER 9 18.624 -7.287 -6.381
56 HG SER 9 HG SER 9 20.573 -6.134 -5.461
57 H CYS 10 H CYS 10 17.945 -3.804 -7.620
58 HA CYS 10 HA CYS 10 15.277 -4.882 -8.256
59 HB2 CYS 10 HB2 CYS 10 14.835 -2.662 -9.319
60 HB3 CYS 10 HB3 CYS 10 15.081 -2.580 -7.578
61 H ASN 11 H ASN 11 14.734 -4.299 -10.677
62 HA ASN 11 HA ASN 11 16.985 -5.305 -12.283
63 HB2 ASN 11 HB2 ASN 11 14.788 -6.644 -12.055
64 HB3 ASN 11 HB3 ASN 11 14.096 -5.423 -13.120
65 HD21 ASN 11 HD21 ASN 11 14.210 -5.799 -15.209
66 HD22 ASN 11 HD22 ASN 11 15.300 -6.890 -15.988
67 HA PRO 12 HA PRO 12 17.082 -1.443 -14.415
68 HB2 PRO 12 HB2 PRO 12 18.481 -2.249 -16.597
69 HB3 PRO 12 HB3 PRO 12 19.227 -2.009 -15.013
70 HG2 PRO 12 HG2 PRO 12 18.332 -4.549 -16.321
71 HG3 PRO 12 HG3 PRO 12 19.817 -4.224 -15.408
72 HD2 PRO 12 HD2 PRO 12 17.687 -5.495 -14.321
73 HD3 PRO 12 HD3 PRO 12 18.763 -4.451 -13.370
74 H SER 13 H SER 13 16.226 -4.363 -16.254
75 HA SER 13 HA SER 13 14.990 -3.013 -18.405
76 HB2 SER 13 HB2 SER 13 15.773 -5.464 -18.279
77 HB3 SER 13 HB3 SER 13 14.224 -5.783 -17.498
78 HG SER 13 HG SER 13 14.699 -4.785 -20.103
79 H ASN 14 H ASN 14 13.928 -3.814 -15.219
80 HA ASN 14 HA ASN 14 11.350 -2.551 -15.784
81 HB2 ASN 14 HB2 ASN 14 11.322 -5.184 -15.757
82 HB3 ASN 14 HB3 ASN 14 11.371 -4.962 -14.010
83 HD21 ASN 14 HD21 ASN 14 9.328 -5.785 -13.697
84 HD22 ASN 14 HD22 ASN 14 7.898 -4.938 -14.169
85 H ASP 15 H ASP 15 12.836 -0.906 -14.692
86 HA ASP 15 HA ASP 15 13.664 -1.023 -12.069
87 HB2 ASP 15 HB2 ASP 15 13.469 1.430 -12.037
88 HB3 ASP 15 HB3 ASP 15 14.182 0.859 -13.543
89 H GLN 16 H GLN 16 12.592 -1.519 -10.284
90 HA GLN 16 HA GLN 16 9.886 -0.442 -9.913
91 HB2 GLN 16 HB2 GLN 16 10.726 -3.270 -9.252
92 HB3 GLN 16 HB3 GLN 16 9.154 -2.558 -8.912
93 HG2 GLN 16 HG2 GLN 16 9.875 -2.314 -11.706
94 HG3 GLN 16 HG3 GLN 16 9.869 -3.991 -11.161
95 HE21 GLN 16 HE21 GLN 16 8.052 -2.117 -12.822
96 HE22 GLN 16 HE22 GLN 16 6.472 -2.489 -12.231
97 H CYS 17 H CYS 17 11.124 1.141 -8.664
98 HA CYS 17 HA CYS 17 11.871 0.111 -6.005
99 HB2 CYS 17 HB2 CYS 17 12.932 2.500 -7.523
100 HB3 CYS 17 HB3 CYS 17 13.278 2.192 -5.825
101 H CYS 18 H CYS 18 11.895 2.295 -4.488
102 HA CYS 18 HA CYS 18 9.083 2.979 -4.316
103 HB2 CYS 18 HB2 CYS 18 11.431 3.572 -2.505
104 HB3 CYS 18 HB3 CYS 18 9.778 4.076 -2.168
105 H LYS 19 H LYS 19 8.451 4.547 -5.669
106 HA LYS 19 HA LYS 19 10.092 6.673 -6.558
107 HB2 LYS 19 HB2 LYS 19 7.072 6.596 -6.540
108 HB3 LYS 19 HB3 LYS 19 8.102 7.564 -7.587
109 HG2 LYS 19 HG2 LYS 19 7.957 4.556 -7.595
110 HG3 LYS 19 HG3 LYS 19 7.144 5.625 -8.740
111 HD2 LYS 19 HD2 LYS 19 9.388 6.533 -9.363
112 HD3 LYS 19 HD3 LYS 19 10.115 5.286 -8.347
113 HE2 LYS 19 HE2 LYS 19 9.014 3.562 -9.712
114 HE3 LYS 19 HE3 LYS 19 8.336 4.823 -10.740
115 HZ1 LYS 19 HZ1 LYS 19 10.565 5.484 -11.359
116 HZ2 LYS 19 HZ2 LYS 19 10.332 3.845 -11.702
117 HZ3 LYS 19 HZ3 LYS 19 11.234 4.305 -10.347
118 H SER 20 H SER 20 7.826 6.330 -3.902
119 HA SER 20 HA SER 20 7.451 8.993 -3.209
120 HB2 SER 20 HB2 SER 20 7.780 6.837 -1.133
121 HB3 SER 20 HB3 SER 20 6.689 8.223 -1.118
122 HG SER 20 HG SER 20 5.572 6.308 -1.619
123 H SER 21 H SER 21 10.151 6.848 -2.558
124 HA SER 21 HA SER 21 11.481 8.911 -0.968
125 HB2 SER 21 HB2 SER 21 12.371 6.081 -1.574
126 HB3 SER 21 HB3 SER 21 13.119 7.184 -0.420
127 HG SER 21 HG SER 21 11.782 5.974 0.795
128 H SER 22 H SER 22 11.037 8.887 -3.983
129 HA SER 22 HA SER 22 12.162 9.423 -5.891
130 HB2 SER 22 HB2 SER 22 12.854 11.233 -4.082
131 HB3 SER 22 HB3 SER 22 14.443 10.498 -4.288
132 HG SER 22 HG SER 22 14.264 10.930 -6.527
133 H LEU 23 H LEU 23 12.477 6.886 -5.667
134 HA LEU 23 HA LEU 23 15.364 6.328 -5.853
135 HB2 LEU 23 HB2 LEU 23 13.067 4.503 -5.169
136 HB3 LEU 23 HB3 LEU 23 14.718 3.953 -5.445
137 HG LEU 23 HG LEU 23 13.778 5.754 -3.214
138 HD11 LEU 23 HD11 LEU 23 14.030 3.948 -1.777
139 HD12 LEU 23 HD12 LEU 23 15.006 3.038 -2.929
140 HD13 LEU 23 HD13 LEU 23 13.273 3.227 -3.197
141 HD21 LEU 23 HD21 LEU 23 16.079 5.548 -2.376
142 HD22 LEU 23 HD22 LEU 23 16.009 6.383 -3.928
143 HD23 LEU 23 HD23 LEU 23 16.531 4.699 -3.854
144 H ALA 24 H ALA 24 15.971 4.636 -7.426
145 HA ALA 24 HA ALA 24 14.182 3.975 -9.557
146 HB1 ALA 24 HB1 ALA 24 15.276 5.208 -11.338
147 HB2 ALA 24 HB2 ALA 24 14.645 6.320 -10.122
148 HB3 ALA 24 HB3 ALA 24 16.370 5.956 -10.174
149 H CYS 25 H CYS 25 15.082 2.491 -11.045
150 HA CYS 25 HA CYS 25 17.469 1.152 -10.019
151 HB2 CYS 25 HB2 CYS 25 15.163 0.031 -10.598
152 HB3 CYS 25 HB3 CYS 25 15.789 0.057 -12.243
153 H SER 26 H SER 26 19.351 1.681 -10.893
154 HA SER 26 HA SER 26 19.440 2.685 -13.639
155 HB2 SER 26 HB2 SER 26 20.674 3.596 -11.389
156 HB3 SER 26 HB3 SER 26 21.944 2.586 -12.079
157 HG SER 26 HG SER 26 20.581 4.331 -13.781
158 H THR 27 H THR 27 20.574 1.714 -15.265
159 HA THR 27 HA THR 27 21.084 -1.099 -14.983
160 HB THR 27 HB THR 27 21.855 0.497 -17.408
161 HG1 THR 27 HG1 THR 27 19.288 0.008 -16.388
162 HG21 THR 27 HG21 THR 27 21.877 -2.206 -16.797
163 HG22 THR 27 HG22 THR 27 21.973 -1.500 -18.410
164 HG23 THR 27 HG23 THR 27 20.413 -2.001 -17.758
165 H LYS 28 H LYS 28 22.866 1.486 -14.108
166 HA LYS 28 HA LYS 28 25.444 0.488 -15.030
167 HB2 LYS 28 HB2 LYS 28 24.700 2.986 -14.825
168 HB3 LYS 28 HB3 LYS 28 25.108 2.780 -13.126
169 HG2 LYS 28 HG2 LYS 28 27.083 1.998 -15.220
170 HG3 LYS 28 HG3 LYS 28 26.874 3.699 -14.798
171 HD2 LYS 28 HD2 LYS 28 27.869 3.451 -12.793
172 HD3 LYS 28 HD3 LYS 28 27.118 1.880 -12.504
173 HE2 LYS 28 HE2 LYS 28 28.813 0.730 -13.523
174 HE3 LYS 28 HE3 LYS 28 29.222 2.068 -14.597
175 HZ1 LYS 28 HZ1 LYS 28 30.391 1.369 -12.130
176 HZ2 LYS 28 HZ2 LYS 28 29.730 2.920 -12.003
177 HZ3 LYS 28 HZ3 LYS 28 30.858 2.578 -13.217
178 H HIS 29 H HIS 29 23.803 1.154 -11.943
179 HA HIS 29 HA HIS 29 25.785 -0.533 -10.584
180 HB2 HIS 29 HB2 HIS 29 23.826 1.510 -9.528
181 HB3 HIS 29 HB3 HIS 29 24.787 0.462 -8.488
182 HD1 HIS 29 HD1 HIS 29 27.402 0.743 -10.342
183 HD2 HIS 29 HD2 HIS 29 25.141 3.823 -8.710
184 HE1 HIS 29 HE1 HIS 29 28.947 2.724 -10.230
185 H LYS 30 H LYS 30 22.520 -0.430 -11.614
186 HA LYS 30 HA LYS 30 20.784 -1.889 -11.442
187 HB2 LYS 30 HB2 LYS 30 23.159 -3.607 -10.876
188 HB3 LYS 30 HB3 LYS 30 21.556 -4.277 -10.598
189 HG2 LYS 30 HG2 LYS 30 21.123 -3.362 -13.029
190 HG3 LYS 30 HG3 LYS 30 22.879 -3.504 -13.143
191 HD2 LYS 30 HD2 LYS 30 21.193 -5.769 -12.125
192 HD3 LYS 30 HD3 LYS 30 21.444 -5.518 -13.854
193 HE2 LYS 30 HE2 LYS 30 23.958 -5.427 -13.209
194 HE3 LYS 30 HE3 LYS 30 23.431 -6.229 -11.730
195 HZ1 LYS 30 HZ1 LYS 30 22.582 -7.313 -14.325
196 HZ2 LYS 30 HZ2 LYS 30 22.834 -8.115 -12.857
197 HZ3 LYS 30 HZ3 LYS 30 24.157 -7.617 -13.786
198 H TRP 31 H TRP 31 20.452 -0.262 -9.540
199 HA TRP 31 HA TRP 31 19.308 -1.716 -7.406
200 HB2 TRP 31 HB2 TRP 31 20.708 -1.187 -5.576
201 HB3 TRP 31 HB3 TRP 31 21.796 -1.775 -6.830
202 HD1 TRP 31 HD1 TRP 31 22.018 0.952 -8.507
203 HE1 TRP 31 HE1 TRP 31 23.382 2.904 -7.530
204 HE3 TRP 31 HE3 TRP 31 21.947 -0.396 -3.576
205 HZ2 TRP 31 HZ2 TRP 31 24.306 3.758 -5.004
206 HZ3 TRP 31 HZ3 TRP 31 23.095 1.043 -1.944
207 HH2 TRP 31 HH2 TRP 31 24.250 3.076 -2.645
208 H CYS 32 H CYS 32 18.181 -0.347 -5.886
209 HA CYS 32 HA CYS 32 17.043 1.931 -7.097
210 HB2 CYS 32 HB2 CYS 32 16.947 1.075 -4.196
211 HB3 CYS 32 HB3 CYS 32 15.872 2.243 -4.958
212 H LYS 33 H LYS 33 18.571 3.471 -7.587
213 HA LYS 33 HA LYS 33 20.146 4.594 -5.384
214 HB2 LYS 33 HB2 LYS 33 21.317 5.841 -7.235
215 HB3 LYS 33 HB3 LYS 33 21.492 4.092 -7.284
216 HG2 LYS 33 HG2 LYS 33 20.318 3.887 -9.207
217 HG3 LYS 33 HG3 LYS 33 19.256 5.247 -8.834
218 HD2 LYS 33 HD2 LYS 33 20.617 5.887 -10.685
219 HD3 LYS 33 HD3 LYS 33 21.201 6.767 -9.271
220 HE2 LYS 33 HE2 LYS 33 23.106 5.427 -9.082
221 HE3 LYS 33 HE3 LYS 33 22.421 4.152 -10.088
222 HZ1 LYS 33 HZ1 LYS 33 23.713 6.651 -10.876
223 HZ2 LYS 33 HZ2 LYS 33 22.445 6.097 -11.847
224 HZ3 LYS 33 HZ3 LYS 33 23.799 5.118 -11.587
225 H TYR 34 H TYR 34 19.990 6.719 -4.757
226 HA TYR 34 HA TYR 34 17.504 7.979 -4.942
227 HB2 TYR 34 HB2 TYR 34 20.221 8.900 -4.057
228 HB3 TYR 34 HB3 TYR 34 18.875 10.032 -4.122
229 HD1 TYR 34 HD1 TYR 34 16.615 8.836 -3.052
230 HD2 TYR 34 HD2 TYR 34 20.658 8.107 -1.946
231 HE1 TYR 34 HE1 TYR 34 15.866 8.077 -0.836
232 HE2 TYR 34 HE2 TYR 34 19.920 7.345 0.273
233 HH TYR 34 HH TYR 34 17.483 7.970 1.715
234 H GLU 35 H GLU 35 16.593 9.196 -6.458
235 HA GLU 35 HA GLU 35 18.202 10.031 -8.747
236 HB2 GLU 35 HB2 GLU 35 15.363 9.391 -8.284
237 HB3 GLU 35 HB3 GLU 35 15.649 10.733 -9.383
238 HG2 GLU 35 HG2 GLU 35 17.294 8.351 -9.869
239 HG3 GLU 35 HG3 GLU 35 15.563 8.140 -10.123
240 H LEU 36 H LEU 36 19.149 11.952 -8.506
241 HA LEU 36 HA LEU 36 17.482 14.204 -7.611
242 HB2 LEU 36 HB2 LEU 36 20.202 13.394 -6.696
243 HB3 LEU 36 HB3 LEU 36 19.791 15.107 -6.753
244 HG LEU 36 HG LEU 36 18.254 13.038 -5.186
245 HD11 LEU 36 HD11 LEU 36 20.138 13.082 -3.928
246 HD12 LEU 36 HD12 LEU 36 19.380 14.546 -3.303
247 HD13 LEU 36 HD13 LEU 36 20.640 14.662 -4.531
248 HD21 LEU 36 HD21 LEU 36 18.079 15.835 -4.405
249 HD22 LEU 36 HD22 LEU 36 16.800 14.650 -4.672
250 HD23 LEU 36 HD23 LEU 36 17.479 15.539 -6.037
Start of MODEL 10
1 H1 GLY 1 H GLY 1 0.096 -0.225 -1.332
2 HA2 GLY 1 HA2 GLY 1 2.014 0.377 -2.446
3 HA3 GLY 1 HA3 GLY 1 2.556 0.942 -0.872
4 H ALA 2 H ALA 2 3.412 -0.942 -3.383
5 HA ALA 2 HA ALA 2 5.183 -2.562 -1.690
6 HB1 ALA 2 HB1 ALA 2 3.737 -3.607 -4.122
7 HB2 ALA 2 HB2 ALA 2 4.885 -4.498 -3.122
8 HB3 ALA 2 HB3 ALA 2 3.336 -3.992 -2.448
9 H CYS 3 H CYS 3 7.050 -1.496 -2.096
10 HA CYS 3 HA CYS 3 8.040 -1.577 -4.848
11 HB2 CYS 3 HB2 CYS 3 9.013 0.722 -4.543
12 HB3 CYS 3 HB3 CYS 3 7.258 0.680 -4.678
13 H LEU 4 H LEU 4 10.475 -0.561 -4.640
14 HA LEU 4 HA LEU 4 11.742 -2.163 -2.518
15 HB2 LEU 4 HB2 LEU 4 12.847 -1.363 -5.206
16 HB3 LEU 4 HB3 LEU 4 13.680 -2.338 -3.997
17 HG LEU 4 HG LEU 4 11.128 -3.176 -5.367
18 HD11 LEU 4 HD11 LEU 4 13.198 -2.866 -6.850
19 HD12 LEU 4 HD12 LEU 4 12.363 -4.418 -6.903
20 HD13 LEU 4 HD13 LEU 4 13.858 -4.252 -5.981
21 HD21 LEU 4 HD21 LEU 4 11.247 -4.421 -3.428
22 HD22 LEU 4 HD22 LEU 4 13.011 -4.442 -3.422
23 HD23 LEU 4 HD23 LEU 4 12.120 -5.446 -4.568
24 H GLY 5 H GLY 5 12.766 -1.076 -0.978
25 HA2 GLY 5 HA2 GLY 5 13.092 1.759 -1.109
26 HA3 GLY 5 HA3 GLY 5 13.641 0.709 0.188
27 H PHE 6 H PHE 6 15.351 2.560 -0.145
28 HA PHE 6 HA PHE 6 17.194 2.308 -2.278
29 HB2 PHE 6 HB2 PHE 6 17.016 4.355 -0.940
30 HB3 PHE 6 HB3 PHE 6 17.587 3.486 0.481
31 HD1 PHE 6 HD2 PHE 6 18.558 4.673 -2.880
32 HD2 PHE 6 HD1 PHE 6 19.883 3.176 0.877
33 HE1 PHE 6 HE2 PHE 6 20.879 5.225 -3.482
34 HE2 PHE 6 HE1 PHE 6 22.206 3.727 0.282
35 HZ PHE 6 HZ PHE 6 22.706 4.752 -1.901
36 H GLY 7 H GLY 7 18.905 1.005 -2.567
37 HA2 GLY 7 HA2 GLY 7 20.699 -0.372 -1.938
38 HA3 GLY 7 HA3 GLY 7 20.056 -0.426 -0.304
39 H LYS 8 H LYS 8 17.761 -1.001 -2.757
40 HA LYS 8 HA LYS 8 17.725 -3.843 -2.040
41 HB2 LYS 8 HB2 LYS 8 15.622 -2.133 -3.381
42 HB3 LYS 8 HB3 LYS 8 15.432 -3.831 -2.963
43 HG2 LYS 8 HG2 LYS 8 15.958 -1.637 -0.969
44 HG3 LYS 8 HG3 LYS 8 14.360 -2.276 -1.364
45 HD2 LYS 8 HD2 LYS 8 15.411 -4.574 -0.776
46 HD3 LYS 8 HD3 LYS 8 16.639 -3.611 0.049
47 HE2 LYS 8 HE2 LYS 8 13.850 -2.858 0.613
48 HE3 LYS 8 HE3 LYS 8 14.332 -4.453 1.191
49 HZ1 LYS 8 HZ1 LYS 8 16.240 -3.380 2.295
50 HZ2 LYS 8 HZ2 LYS 8 14.751 -2.842 2.890
51 HZ3 LYS 8 HZ3 LYS 8 15.640 -1.867 1.832
52 H SER 9 H SER 9 17.487 -5.463 -3.646
53 HA SER 9 HA SER 9 18.958 -4.876 -6.061
54 HB2 SER 9 HB2 SER 9 18.463 -7.413 -6.441
55 HB3 SER 9 HB3 SER 9 19.588 -6.936 -5.170
56 HG SER 9 HG SER 9 17.020 -7.998 -4.976
57 H CYS 10 H CYS 10 17.878 -3.893 -7.650
58 HA CYS 10 HA CYS 10 15.207 -4.920 -8.354
59 HB2 CYS 10 HB2 CYS 10 14.821 -2.676 -9.391
60 HB3 CYS 10 HB3 CYS 10 15.029 -2.628 -7.643
61 H ASN 11 H ASN 11 14.720 -4.287 -10.775
62 HA ASN 11 HA ASN 11 16.976 -5.325 -12.352
63 HB2 ASN 11 HB2 ASN 11 14.609 -6.488 -12.172
64 HB3 ASN 11 HB3 ASN 11 14.175 -5.301 -13.398
65 HD21 ASN 11 HD21 ASN 11 14.252 -6.124 -15.347
66 HD22 ASN 11 HD22 ASN 11 15.411 -7.264 -15.932
67 HA PRO 12 HA PRO 12 17.274 -1.431 -14.405
68 HB2 PRO 12 HB2 PRO 12 18.669 -2.251 -16.585
69 HB3 PRO 12 HB3 PRO 12 19.400 -2.080 -14.985
70 HG2 PRO 12 HG2 PRO 12 18.412 -4.548 -16.363
71 HG3 PRO 12 HG3 PRO 12 19.896 -4.310 -15.422
72 HD2 PRO 12 HD2 PRO 12 17.696 -5.508 -14.394
73 HD3 PRO 12 HD3 PRO 12 18.804 -4.535 -13.405
74 H SER 13 H SER 13 16.314 -4.269 -16.319
75 HA SER 13 HA SER 13 15.133 -2.766 -18.423
76 HB2 SER 13 HB2 SER 13 15.916 -5.278 -18.333
77 HB3 SER 13 HB3 SER 13 14.259 -5.563 -17.800
78 HG SER 13 HG SER 13 14.204 -5.698 -19.988
79 H ASN 14 H ASN 14 14.041 -3.819 -15.316
80 HA ASN 14 HA ASN 14 11.431 -2.590 -15.852
81 HB2 ASN 14 HB2 ASN 14 11.563 -5.246 -15.797
82 HB3 ASN 14 HB3 ASN 14 11.508 -4.972 -14.058
83 HD21 ASN 14 HD21 ASN 14 9.810 -3.048 -13.626
84 HD22 ASN 14 HD22 ASN 14 8.245 -3.388 -14.275
85 H ASP 15 H ASP 15 12.981 -0.942 -14.750
86 HA ASP 15 HA ASP 15 13.738 -1.061 -12.106
87 HB2 ASP 15 HB2 ASP 15 13.588 1.396 -12.090
88 HB3 ASP 15 HB3 ASP 15 14.327 0.805 -13.575
89 H GLN 16 H GLN 16 12.613 -1.523 -10.346
90 HA GLN 16 HA GLN 16 9.922 -0.392 -10.045
91 HB2 GLN 16 HB2 GLN 16 10.681 -3.241 -9.381
92 HB3 GLN 16 HB3 GLN 16 9.123 -2.494 -9.056
93 HG2 GLN 16 HG2 GLN 16 9.892 -2.252 -11.839
94 HG3 GLN 16 HG3 GLN 16 9.827 -3.930 -11.303
95 HE21 GLN 16 HE21 GLN 16 7.881 -4.839 -10.768
96 HE22 GLN 16 HE22 GLN 16 6.364 -4.067 -11.060
97 H CYS 17 H CYS 17 11.165 1.161 -8.763
98 HA CYS 17 HA CYS 17 11.830 0.110 -6.090
99 HB2 CYS 17 HB2 CYS 17 12.953 2.496 -7.567
100 HB3 CYS 17 HB3 CYS 17 13.265 2.163 -5.867
101 H CYS 18 H CYS 18 11.855 2.295 -4.569
102 HA CYS 18 HA CYS 18 9.048 3.015 -4.455
103 HB2 CYS 18 HB2 CYS 18 11.366 3.534 -2.586
104 HB3 CYS 18 HB3 CYS 18 9.727 4.105 -2.286
105 H LYS 19 H LYS 19 8.450 4.617 -5.777
106 HA LYS 19 HA LYS 19 10.150 6.717 -6.628
107 HB2 LYS 19 HB2 LYS 19 7.128 6.642 -6.672
108 HB3 LYS 19 HB3 LYS 19 8.165 7.670 -7.652
109 HG2 LYS 19 HG2 LYS 19 8.079 4.664 -7.794
110 HG3 LYS 19 HG3 LYS 19 7.258 5.763 -8.904
111 HD2 LYS 19 HD2 LYS 19 9.515 6.758 -9.412
112 HD3 LYS 19 HD3 LYS 19 10.224 5.427 -8.495
113 HE2 LYS 19 HE2 LYS 19 8.788 3.934 -10.067
114 HE3 LYS 19 HE3 LYS 19 8.746 5.365 -11.095
115 HZ1 LYS 19 HZ1 LYS 19 10.809 3.481 -10.806
116 HZ2 LYS 19 HZ2 LYS 19 11.386 4.985 -10.293
117 HZ3 LYS 19 HZ3 LYS 19 10.738 4.813 -11.846
118 H SER 20 H SER 20 7.903 6.359 -3.975
119 HA SER 20 HA SER 20 7.528 9.031 -3.276
120 HB2 SER 20 HB2 SER 20 7.128 8.132 -0.956
121 HB3 SER 20 HB3 SER 20 6.195 7.333 -2.221
122 HG SER 20 HG SER 20 7.352 5.973 -0.602
123 H SER 21 H SER 21 10.174 6.827 -2.565
124 HA SER 21 HA SER 21 11.519 8.863 -0.958
125 HB2 SER 21 HB2 SER 21 12.283 5.995 -1.557
126 HB3 SER 21 HB3 SER 21 13.169 7.077 -0.484
127 HG SER 21 HG SER 21 11.852 6.051 0.879
128 H SER 22 H SER 22 11.118 8.856 -3.984
129 HA SER 22 HA SER 22 12.278 9.394 -5.870
130 HB2 SER 22 HB2 SER 22 12.958 11.193 -4.058
131 HB3 SER 22 HB3 SER 22 14.539 10.427 -4.204
132 HG SER 22 HG SER 22 14.747 11.667 -5.884
133 H LEU 23 H LEU 23 12.554 6.857 -5.675
134 HA LEU 23 HA LEU 23 15.435 6.257 -5.814
135 HB2 LEU 23 HB2 LEU 23 13.097 4.467 -5.180
136 HB3 LEU 23 HB3 LEU 23 14.738 3.884 -5.450
137 HG LEU 23 HG LEU 23 13.825 5.681 -3.205
138 HD11 LEU 23 HD11 LEU 23 14.962 2.919 -2.963
139 HD12 LEU 23 HD12 LEU 23 13.235 3.184 -3.201
140 HD13 LEU 23 HD13 LEU 23 14.042 3.850 -1.782
141 HD21 LEU 23 HD21 LEU 23 16.553 4.540 -3.803
142 HD22 LEU 23 HD22 LEU 23 16.104 5.437 -2.352
143 HD23 LEU 23 HD23 LEU 23 16.088 6.237 -3.924
144 H ALA 24 H ALA 24 16.048 4.579 -7.397
145 HA ALA 24 HA ALA 24 14.288 3.958 -9.563
146 HB1 ALA 24 HB1 ALA 24 16.565 5.774 -10.297
147 HB2 ALA 24 HB2 ALA 24 15.194 5.269 -11.286
148 HB3 ALA 24 HB3 ALA 24 14.949 6.389 -9.946
149 H CYS 25 H CYS 25 15.198 2.483 -11.053
150 HA CYS 25 HA CYS 25 17.559 1.113 -10.005
151 HB2 CYS 25 HB2 CYS 25 15.246 0.022 -10.632
152 HB3 CYS 25 HB3 CYS 25 15.908 0.046 -12.263
153 H SER 26 H SER 26 19.469 1.519 -10.878
154 HA SER 26 HA SER 26 19.600 2.585 -13.605
155 HB2 SER 26 HB2 SER 26 20.853 3.402 -11.293
156 HB3 SER 26 HB3 SER 26 22.110 2.456 -12.091
157 HG SER 26 HG SER 26 20.622 4.523 -13.343
158 H THR 27 H THR 27 20.761 1.618 -15.219
159 HA THR 27 HA THR 27 21.212 -1.207 -14.960
160 HB THR 27 HB THR 27 22.090 0.370 -17.355
161 HG1 THR 27 HG1 THR 27 19.416 -0.219 -16.574
162 HG21 THR 27 HG21 THR 27 21.414 -2.407 -16.694
163 HG22 THR 27 HG22 THR 27 22.448 -1.765 -17.970
164 HG23 THR 27 HG23 THR 27 20.701 -1.827 -18.199
165 H LYS 28 H LYS 28 23.021 1.328 -14.009
166 HA LYS 28 HA LYS 28 25.600 0.291 -14.890
167 HB2 LYS 28 HB2 LYS 28 24.594 2.830 -13.851
168 HB3 LYS 28 HB3 LYS 28 26.111 2.342 -13.107
169 HG2 LYS 28 HG2 LYS 28 27.290 2.530 -15.054
170 HG3 LYS 28 HG3 LYS 28 25.881 2.203 -16.067
171 HD2 LYS 28 HD2 LYS 28 26.279 4.470 -16.415
172 HD3 LYS 28 HD3 LYS 28 25.004 4.466 -15.194
173 HE2 LYS 28 HE2 LYS 28 26.748 4.715 -13.448
174 HE3 LYS 28 HE3 LYS 28 27.959 4.845 -14.723
175 HZ1 LYS 28 HZ1 LYS 28 25.631 6.661 -14.628
176 HZ2 LYS 28 HZ2 LYS 28 27.105 6.876 -15.428
177 HZ3 LYS 28 HZ3 LYS 28 27.035 6.988 -13.742
178 H HIS 29 H HIS 29 23.905 0.966 -11.833
179 HA HIS 29 HA HIS 29 25.823 -0.773 -10.446
180 HB2 HIS 29 HB2 HIS 29 23.892 1.312 -9.423
181 HB3 HIS 29 HB3 HIS 29 24.790 0.228 -8.364
182 HD1 HIS 29 HD1 HIS 29 27.506 0.397 -9.972
183 HD2 HIS 29 HD2 HIS 29 25.211 3.624 -8.714
184 HE1 HIS 29 HE1 HIS 29 29.095 2.342 -9.839
185 H LYS 30 H LYS 30 22.581 -0.589 -11.538
186 HA LYS 30 HA LYS 30 20.810 -2.011 -11.414
187 HB2 LYS 30 HB2 LYS 30 23.136 -3.787 -10.821
188 HB3 LYS 30 HB3 LYS 30 21.514 -4.423 -10.582
189 HG2 LYS 30 HG2 LYS 30 21.148 -3.476 -13.010
190 HG3 LYS 30 HG3 LYS 30 22.903 -3.652 -13.092
191 HD2 LYS 30 HD2 LYS 30 21.152 -5.892 -12.131
192 HD3 LYS 30 HD3 LYS 30 21.442 -5.629 -13.852
193 HE2 LYS 30 HE2 LYS 30 23.119 -7.116 -13.341
194 HE3 LYS 30 HE3 LYS 30 23.950 -5.577 -13.121
195 HZ1 LYS 30 HZ1 LYS 30 22.643 -7.017 -10.887
196 HZ2 LYS 30 HZ2 LYS 30 23.750 -5.742 -10.796
197 HZ3 LYS 30 HZ3 LYS 30 24.262 -7.270 -11.310
198 H TRP 31 H TRP 31 20.477 -0.397 -9.501
199 HA TRP 31 HA TRP 31 19.264 -1.847 -7.403
200 HB2 TRP 31 HB2 TRP 31 20.641 -1.360 -5.542
201 HB3 TRP 31 HB3 TRP 31 21.736 -1.968 -6.780
202 HD1 TRP 31 HD1 TRP 31 22.038 0.773 -8.434
203 HE1 TRP 31 HE1 TRP 31 23.438 2.681 -7.422
204 HE3 TRP 31 HE3 TRP 31 21.886 -0.627 -3.519
205 HZ2 TRP 31 HZ2 TRP 31 24.357 3.486 -4.877
206 HZ3 TRP 31 HZ3 TRP 31 23.052 0.766 -1.860
207 HH2 TRP 31 HH2 TRP 31 24.262 2.779 -2.527
208 H CYS 32 H CYS 32 18.138 -0.470 -5.891
209 HA CYS 32 HA CYS 32 17.068 1.841 -7.098
210 HB2 CYS 32 HB2 CYS 32 16.908 0.960 -4.208
211 HB3 CYS 32 HB3 CYS 32 15.872 2.160 -4.973
212 H LYS 33 H LYS 33 18.630 3.358 -7.550
213 HA LYS 33 HA LYS 33 20.194 4.428 -5.313
214 HB2 LYS 33 HB2 LYS 33 21.417 5.669 -7.134
215 HB3 LYS 33 HB3 LYS 33 21.558 3.917 -7.197
216 HG2 LYS 33 HG2 LYS 33 20.425 3.757 -9.145
217 HG3 LYS 33 HG3 LYS 33 19.363 5.115 -8.767
218 HD2 LYS 33 HD2 LYS 33 20.804 5.703 -10.617
219 HD3 LYS 33 HD3 LYS 33 21.243 6.660 -9.200
220 HE2 LYS 33 HE2 LYS 33 23.139 5.261 -8.767
221 HE3 LYS 33 HE3 LYS 33 22.643 4.118 -10.014
222 HZ1 LYS 33 HZ1 LYS 33 23.857 5.270 -11.442
223 HZ2 LYS 33 HZ2 LYS 33 24.224 6.438 -10.275
224 HZ3 LYS 33 HZ3 LYS 33 22.838 6.604 -11.230
225 H TYR 34 H TYR 34 20.063 6.546 -4.662
226 HA TYR 34 HA TYR 34 17.607 7.857 -4.880
227 HB2 TYR 34 HB2 TYR 34 20.322 8.690 -3.915
228 HB3 TYR 34 HB3 TYR 34 19.026 9.877 -4.024
229 HD1 TYR 34 HD1 TYR 34 16.680 8.728 -3.048
230 HD2 TYR 34 HD2 TYR 34 20.660 7.924 -1.775
231 HE1 TYR 34 HE1 TYR 34 15.827 8.001 -0.859
232 HE2 TYR 34 HE2 TYR 34 19.818 7.193 0.417
233 HH TYR 34 HH TYR 34 17.025 6.225 1.084
234 H GLU 35 H GLU 35 16.745 9.049 -6.438
235 HA GLU 35 HA GLU 35 18.476 10.002 -8.604
236 HB2 GLU 35 HB2 GLU 35 15.622 9.200 -8.404
237 HB3 GLU 35 HB3 GLU 35 16.015 10.467 -9.557
238 HG2 GLU 35 HG2 GLU 35 17.845 8.828 -10.366
239 HG3 GLU 35 HG3 GLU 35 16.889 7.613 -9.520
240 H LEU 36 H LEU 36 19.238 11.981 -8.166
241 HA LEU 36 HA LEU 36 17.564 13.946 -6.828
242 HB2 LEU 36 HB2 LEU 36 20.446 13.843 -7.638
243 HB3 LEU 36 HB3 LEU 36 19.696 15.363 -7.156
244 HG LEU 36 HG LEU 36 19.030 13.964 -5.021
245 HD11 LEU 36 HD11 LEU 36 19.890 11.841 -5.811
246 HD12 LEU 36 HD12 LEU 36 20.809 12.387 -4.409
247 HD13 LEU 36 HD13 LEU 36 21.493 12.546 -6.027
248 HD21 LEU 36 HD21 LEU 36 21.675 15.239 -5.651
249 HD22 LEU 36 HD22 LEU 36 21.276 14.655 -4.036
250 HD23 LEU 36 HD23 LEU 36 20.301 15.923 -4.782
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.199 0.996 -1.232
2 HA2 GLY 1 HA2 GLY 1 3.406 1.295 -0.672
3 HA3 GLY 1 HA3 GLY 1 3.037 0.516 0.859
4 H ALA 2 H ALA 2 3.727 -0.183 -2.550
5 HA ALA 2 HA ALA 2 5.234 -2.545 -1.666
6 HB1 ALA 2 HB1 ALA 2 4.376 -3.819 -3.595
7 HB2 ALA 2 HB2 ALA 2 3.107 -3.384 -2.450
8 HB3 ALA 2 HB3 ALA 2 3.277 -2.488 -3.959
9 H CYS 3 H CYS 3 7.246 -1.786 -2.063
10 HA CYS 3 HA CYS 3 8.104 -1.579 -4.783
11 HB2 CYS 3 HB2 CYS 3 9.082 0.735 -4.496
12 HB3 CYS 3 HB3 CYS 3 7.331 0.673 -4.662
13 H LEU 4 H LEU 4 10.536 -0.550 -4.633
14 HA LEU 4 HA LEU 4 11.847 -2.116 -2.512
15 HB2 LEU 4 HB2 LEU 4 12.892 -1.336 -5.230
16 HB3 LEU 4 HB3 LEU 4 13.770 -2.273 -4.022
17 HG LEU 4 HG LEU 4 11.224 -3.170 -5.371
18 HD11 LEU 4 HD11 LEU 4 14.069 -4.012 -5.906
19 HD12 LEU 4 HD12 LEU 4 13.095 -2.982 -6.954
20 HD13 LEU 4 HD13 LEU 4 12.619 -4.657 -6.675
21 HD21 LEU 4 HD21 LEU 4 13.052 -4.356 -3.330
22 HD22 LEU 4 HD22 LEU 4 12.211 -5.410 -4.468
23 HD23 LEU 4 HD23 LEU 4 11.289 -4.354 -3.397
24 H GLY 5 H GLY 5 12.695 -0.923 -0.946
25 HA2 GLY 5 HA2 GLY 5 13.069 1.883 -1.146
26 HA3 GLY 5 HA3 GLY 5 13.611 0.862 0.177
27 H PHE 6 H PHE 6 15.326 2.691 -0.150
28 HA PHE 6 HA PHE 6 17.186 2.430 -2.268
29 HB2 PHE 6 HB2 PHE 6 16.986 4.480 -0.924
30 HB3 PHE 6 HB3 PHE 6 17.576 3.613 0.489
31 HD1 PHE 6 HD2 PHE 6 18.523 4.707 -2.922
32 HD2 PHE 6 HD1 PHE 6 19.864 3.425 0.909
33 HE1 PHE 6 HE2 PHE 6 20.833 5.278 -3.544
34 HE2 PHE 6 HE1 PHE 6 22.177 3.995 0.293
35 HZ PHE 6 HZ PHE 6 22.664 4.921 -1.936
36 H GLY 7 H GLY 7 18.935 1.161 -2.521
37 HA2 GLY 7 HA2 GLY 7 20.703 -0.236 -1.892
38 HA3 GLY 7 HA3 GLY 7 20.070 -0.261 -0.253
39 H LYS 8 H LYS 8 17.782 -0.875 -2.715
40 HA LYS 8 HA LYS 8 17.730 -3.702 -1.936
41 HB2 LYS 8 HB2 LYS 8 15.633 -2.006 -3.305
42 HB3 LYS 8 HB3 LYS 8 15.437 -3.698 -2.865
43 HG2 LYS 8 HG2 LYS 8 15.957 -1.470 -0.907
44 HG3 LYS 8 HG3 LYS 8 14.365 -2.135 -1.283
45 HD2 LYS 8 HD2 LYS 8 16.678 -3.750 -0.213
46 HD3 LYS 8 HD3 LYS 8 15.389 -3.072 0.785
47 HE2 LYS 8 HE2 LYS 8 14.448 -5.096 0.448
48 HE3 LYS 8 HE3 LYS 8 13.915 -4.354 -1.060
49 HZ1 LYS 8 HZ1 LYS 8 15.359 -6.643 -0.842
50 HZ2 LYS 8 HZ2 LYS 8 16.537 -5.498 -1.246
51 HZ3 LYS 8 HZ3 LYS 8 15.191 -5.716 -2.247
52 H SER 9 H SER 9 17.449 -5.346 -3.524
53 HA SER 9 HA SER 9 18.934 -4.811 -5.945
54 HB2 SER 9 HB2 SER 9 18.509 -7.332 -6.296
55 HB3 SER 9 HB3 SER 9 19.529 -6.855 -4.938
56 HG SER 9 HG SER 9 16.773 -7.529 -4.831
57 H CYS 10 H CYS 10 17.858 -3.855 -7.553
58 HA CYS 10 HA CYS 10 15.180 -4.882 -8.233
59 HB2 CYS 10 HB2 CYS 10 14.802 -2.656 -9.311
60 HB3 CYS 10 HB3 CYS 10 15.017 -2.575 -7.565
61 H ASN 11 H ASN 11 14.693 -4.292 -10.665
62 HA ASN 11 HA ASN 11 16.946 -5.360 -12.227
63 HB2 ASN 11 HB2 ASN 11 14.628 -6.568 -12.019
64 HB3 ASN 11 HB3 ASN 11 14.116 -5.380 -13.214
65 HD21 ASN 11 HD21 ASN 11 14.212 -6.088 -15.206
66 HD22 ASN 11 HD22 ASN 11 15.350 -7.225 -15.836
67 HA PRO 12 HA PRO 12 17.207 -1.505 -14.358
68 HB2 PRO 12 HB2 PRO 12 18.618 -2.357 -16.516
69 HB3 PRO 12 HB3 PRO 12 19.342 -2.142 -14.918
70 HG2 PRO 12 HG2 PRO 12 18.388 -4.651 -16.242
71 HG3 PRO 12 HG3 PRO 12 19.866 -4.375 -15.303
72 HD2 PRO 12 HD2 PRO 12 17.677 -5.575 -14.254
73 HD3 PRO 12 HD3 PRO 12 18.770 -4.567 -13.284
74 H SER 13 H SER 13 16.283 -4.398 -16.208
75 HA SER 13 HA SER 13 15.104 -2.971 -18.359
76 HB2 SER 13 HB2 SER 13 15.891 -5.443 -18.259
77 HB3 SER 13 HB3 SER 13 14.293 -5.762 -17.586
78 HG SER 13 HG SER 13 13.371 -4.966 -19.459
79 H ASN 14 H ASN 14 14.021 -3.823 -15.206
80 HA ASN 14 HA ASN 14 11.412 -2.630 -15.801
81 HB2 ASN 14 HB2 ASN 14 11.478 -5.264 -15.686
82 HB3 ASN 14 HB3 ASN 14 11.506 -4.978 -13.949
83 HD21 ASN 14 HD21 ASN 14 9.486 -5.881 -13.645
84 HD22 ASN 14 HD22 ASN 14 8.033 -5.093 -14.147
85 H ASP 15 H ASP 15 12.833 -0.901 -14.763
86 HA ASP 15 HA ASP 15 13.676 -0.906 -12.143
87 HB2 ASP 15 HB2 ASP 15 14.258 1.003 -13.343
88 HB3 ASP 15 HB3 ASP 15 12.617 1.255 -13.931
89 H GLN 16 H GLN 16 12.620 -1.433 -10.356
90 HA GLN 16 HA GLN 16 9.896 -0.410 -9.973
91 HB2 GLN 16 HB2 GLN 16 10.780 -3.223 -9.307
92 HB3 GLN 16 HB3 GLN 16 9.195 -2.534 -8.980
93 HG2 GLN 16 HG2 GLN 16 9.847 -2.240 -11.758
94 HG3 GLN 16 HG3 GLN 16 10.023 -3.922 -11.260
95 HE21 GLN 16 HE21 GLN 16 7.982 -2.164 -12.810
96 HE22 GLN 16 HE22 GLN 16 6.465 -2.726 -12.205
97 H CYS 17 H CYS 17 11.122 1.191 -8.732
98 HA CYS 17 HA CYS 17 11.885 0.171 -6.073
99 HB2 CYS 17 HB2 CYS 17 12.944 2.541 -7.619
100 HB3 CYS 17 HB3 CYS 17 13.272 2.279 -5.909
101 H CYS 18 H CYS 18 11.902 2.356 -4.561
102 HA CYS 18 HA CYS 18 9.087 3.055 -4.420
103 HB2 CYS 18 HB2 CYS 18 11.403 3.565 -2.545
104 HB3 CYS 18 HB3 CYS 18 9.755 4.100 -2.234
105 H LYS 19 H LYS 19 8.552 4.636 -5.817
106 HA LYS 19 HA LYS 19 10.237 6.765 -6.586
107 HB2 LYS 19 HB2 LYS 19 7.218 6.664 -6.691
108 HB3 LYS 19 HB3 LYS 19 8.261 7.722 -7.632
109 HG2 LYS 19 HG2 LYS 19 8.208 4.717 -7.828
110 HG3 LYS 19 HG3 LYS 19 7.408 5.831 -8.939
111 HD2 LYS 19 HD2 LYS 19 9.596 6.812 -9.497
112 HD3 LYS 19 HD3 LYS 19 10.377 5.653 -8.419
113 HE2 LYS 19 HE2 LYS 19 10.615 4.585 -10.434
114 HE3 LYS 19 HE3 LYS 19 9.086 3.901 -9.884
115 HZ1 LYS 19 HZ1 LYS 19 9.606 5.401 -12.209
116 HZ2 LYS 19 HZ2 LYS 19 8.492 6.244 -11.256
117 HZ3 LYS 19 HZ3 LYS 19 8.164 4.655 -11.734
118 H SER 20 H SER 20 7.911 6.381 -3.998
119 HA SER 20 HA SER 20 7.495 9.027 -3.271
120 HB2 SER 20 HB2 SER 20 6.837 8.203 -1.112
121 HB3 SER 20 HB3 SER 20 6.344 7.003 -2.307
122 HG SER 20 HG SER 20 7.382 5.724 -0.973
123 H SER 21 H SER 21 10.226 6.922 -2.647
124 HA SER 21 HA SER 21 11.508 8.999 -1.025
125 HB2 SER 21 HB2 SER 21 11.401 6.469 -0.392
126 HB3 SER 21 HB3 SER 21 12.713 6.300 -1.559
127 HG SER 21 HG SER 21 13.465 6.671 0.585
128 H SER 22 H SER 22 11.129 8.950 -4.036
129 HA SER 22 HA SER 22 12.294 9.453 -5.929
130 HB2 SER 22 HB2 SER 22 12.968 11.280 -4.143
131 HB3 SER 22 HB3 SER 22 14.550 10.513 -4.275
132 HG SER 22 HG SER 22 14.803 11.486 -6.109
133 H LEU 23 H LEU 23 12.570 6.947 -5.793
134 HA LEU 23 HA LEU 23 15.453 6.342 -5.896
135 HB2 LEU 23 HB2 LEU 23 13.130 4.551 -5.208
136 HB3 LEU 23 HB3 LEU 23 14.775 3.976 -5.474
137 HG LEU 23 HG LEU 23 13.869 5.824 -3.266
138 HD11 LEU 23 HD11 LEU 23 13.270 3.321 -3.214
139 HD12 LEU 23 HD12 LEU 23 14.054 4.029 -1.803
140 HD13 LEU 23 HD13 LEU 23 14.995 3.068 -2.943
141 HD21 LEU 23 HD21 LEU 23 16.586 4.670 -3.887
142 HD22 LEU 23 HD22 LEU 23 16.160 5.534 -2.409
143 HD23 LEU 23 HD23 LEU 23 16.122 6.370 -3.962
144 H ALA 24 H ALA 24 16.054 4.628 -7.448
145 HA ALA 24 HA ALA 24 14.274 3.964 -9.586
146 HB1 ALA 24 HB1 ALA 24 15.034 6.419 -9.959
147 HB2 ALA 24 HB2 ALA 24 16.553 5.684 -10.472
148 HB3 ALA 24 HB3 ALA 24 15.055 5.288 -11.312
149 H CYS 25 H CYS 25 15.172 2.460 -11.055
150 HA CYS 25 HA CYS 25 17.534 1.103 -9.996
151 HB2 CYS 25 HB2 CYS 25 15.217 0.009 -10.603
152 HB3 CYS 25 HB3 CYS 25 15.877 0.008 -12.235
153 H SER 26 H SER 26 19.443 1.500 -10.875
154 HA SER 26 HA SER 26 19.568 2.494 -13.633
155 HB2 SER 26 HB2 SER 26 20.775 3.442 -11.360
156 HB3 SER 26 HB3 SER 26 22.060 2.467 -12.073
157 HG SER 26 HG SER 26 20.583 4.437 -13.482
158 H THR 27 H THR 27 20.761 1.495 -15.205
159 HA THR 27 HA THR 27 21.266 -1.309 -14.844
160 HB THR 27 HB THR 27 22.099 0.244 -17.278
161 HG1 THR 27 HG1 THR 27 19.997 0.223 -17.992
162 HG21 THR 27 HG21 THR 27 21.949 -2.500 -16.558
163 HG22 THR 27 HG22 THR 27 22.435 -1.797 -18.101
164 HG23 THR 27 HG23 THR 27 20.743 -2.200 -17.809
165 H LYS 28 H LYS 28 23.018 1.298 -13.974
166 HA LYS 28 HA LYS 28 25.624 0.322 -14.815
167 HB2 LYS 28 HB2 LYS 28 24.648 2.837 -14.304
168 HB3 LYS 28 HB3 LYS 28 25.548 2.486 -12.834
169 HG2 LYS 28 HG2 LYS 28 27.543 2.594 -13.869
170 HG3 LYS 28 HG3 LYS 28 26.934 1.861 -15.355
171 HD2 LYS 28 HD2 LYS 28 27.113 3.927 -16.211
172 HD3 LYS 28 HD3 LYS 28 25.621 4.257 -15.327
173 HE2 LYS 28 HE2 LYS 28 27.203 5.991 -14.832
174 HE3 LYS 28 HE3 LYS 28 26.999 4.991 -13.394
175 HZ1 LYS 28 HZ1 LYS 28 29.356 5.649 -14.106
176 HZ2 LYS 28 HZ2 LYS 28 29.189 4.460 -15.297
177 HZ3 LYS 28 HZ3 LYS 28 29.078 4.040 -13.662
178 H HIS 29 H HIS 29 23.895 0.912 -11.761
179 HA HIS 29 HA HIS 29 25.839 -0.821 -10.398
180 HB2 HIS 29 HB2 HIS 29 23.948 1.285 -9.348
181 HB3 HIS 29 HB3 HIS 29 24.829 0.179 -8.299
182 HD1 HIS 29 HD1 HIS 29 27.554 0.289 -9.853
183 HD2 HIS 29 HD2 HIS 29 25.302 3.584 -8.698
184 HE1 HIS 29 HE1 HIS 29 29.178 2.205 -9.734
185 H LYS 30 H LYS 30 22.610 -0.639 -11.489
186 HA LYS 30 HA LYS 30 20.833 -2.052 -11.354
187 HB2 LYS 30 HB2 LYS 30 23.148 -3.826 -10.718
188 HB3 LYS 30 HB3 LYS 30 21.523 -4.453 -10.476
189 HG2 LYS 30 HG2 LYS 30 21.169 -3.550 -12.921
190 HG3 LYS 30 HG3 LYS 30 22.924 -3.724 -12.993
191 HD2 LYS 30 HD2 LYS 30 21.101 -5.933 -12.068
192 HD3 LYS 30 HD3 LYS 30 21.565 -5.721 -13.758
193 HE2 LYS 30 HE2 LYS 30 23.638 -5.870 -11.600
194 HE3 LYS 30 HE3 LYS 30 22.931 -7.338 -12.273
195 HZ1 LYS 30 HZ1 LYS 30 23.613 -5.793 -14.442
196 HZ2 LYS 30 HZ2 LYS 30 24.421 -7.172 -13.888
197 HZ3 LYS 30 HZ3 LYS 30 24.920 -5.638 -13.378
198 H TRP 31 H TRP 31 20.492 -0.406 -9.470
199 HA TRP 31 HA TRP 31 19.257 -1.818 -7.358
200 HB2 TRP 31 HB2 TRP 31 20.622 -1.303 -5.494
201 HB3 TRP 31 HB3 TRP 31 21.722 -1.941 -6.713
202 HD1 TRP 31 HD1 TRP 31 22.045 0.774 -8.413
203 HE1 TRP 31 HE1 TRP 31 23.454 2.688 -7.427
204 HE3 TRP 31 HE3 TRP 31 21.870 -0.549 -3.478
205 HZ2 TRP 31 HZ2 TRP 31 24.370 3.527 -4.892
206 HZ3 TRP 31 HZ3 TRP 31 23.039 0.862 -1.837
207 HH2 TRP 31 HH2 TRP 31 24.263 2.857 -2.531
208 H CYS 32 H CYS 32 18.170 -0.392 -5.835
209 HA CYS 32 HA CYS 32 17.097 1.895 -7.098
210 HB2 CYS 32 HB2 CYS 32 16.933 1.055 -4.195
211 HB3 CYS 32 HB3 CYS 32 15.913 2.264 -4.968
212 H LYS 33 H LYS 33 18.651 3.407 -7.577
213 HA LYS 33 HA LYS 33 20.227 4.507 -5.362
214 HB2 LYS 33 HB2 LYS 33 21.450 5.712 -7.210
215 HB3 LYS 33 HB3 LYS 33 21.591 3.959 -7.233
216 HG2 LYS 33 HG2 LYS 33 20.443 3.752 -9.171
217 HG3 LYS 33 HG3 LYS 33 19.402 5.137 -8.832
218 HD2 LYS 33 HD2 LYS 33 20.838 5.671 -10.690
219 HD3 LYS 33 HD3 LYS 33 21.326 6.634 -9.294
220 HE2 LYS 33 HE2 LYS 33 23.297 5.506 -9.033
221 HE3 LYS 33 HE3 LYS 33 22.657 4.011 -9.714
222 HZ1 LYS 33 HZ1 LYS 33 23.632 4.550 -11.610
223 HZ2 LYS 33 HZ2 LYS 33 24.130 6.045 -10.997
224 HZ3 LYS 33 HZ3 LYS 33 22.620 5.898 -11.745
225 H TYR 34 H TYR 34 20.099 6.633 -4.743
226 HA TYR 34 HA TYR 34 17.649 7.951 -4.990
227 HB2 TYR 34 HB2 TYR 34 20.366 8.797 -4.038
228 HB3 TYR 34 HB3 TYR 34 19.066 9.977 -4.157
229 HD1 TYR 34 HD1 TYR 34 16.729 8.862 -3.152
230 HD2 TYR 34 HD2 TYR 34 20.709 8.027 -1.900
231 HE1 TYR 34 HE1 TYR 34 15.883 8.159 -0.952
232 HE2 TYR 34 HE2 TYR 34 19.874 7.320 0.303
233 HH TYR 34 HH TYR 34 18.073 6.910 1.545
234 H GLU 35 H GLU 35 16.797 9.121 -6.570
235 HA GLU 35 HA GLU 35 18.566 10.101 -8.702
236 HB2 GLU 35 HB2 GLU 35 15.768 9.109 -8.630
237 HB3 GLU 35 HB3 GLU 35 16.127 10.391 -9.778
238 HG2 GLU 35 HG2 GLU 35 18.112 8.863 -10.460
239 HG3 GLU 35 HG3 GLU 35 17.168 7.598 -9.674
240 H LEU 36 H LEU 36 19.175 12.130 -8.252
241 HA LEU 36 HA LEU 36 17.054 14.094 -7.715
242 HB2 LEU 36 HB2 LEU 36 19.691 13.771 -6.323
243 HB3 LEU 36 HB3 LEU 36 18.858 15.323 -6.363
244 HG LEU 36 HG LEU 36 16.876 14.085 -5.322
245 HD11 LEU 36 HD11 LEU 36 18.018 12.153 -3.854
246 HD12 LEU 36 HD12 LEU 36 18.943 11.979 -5.345
247 HD13 LEU 36 HD13 LEU 36 17.184 11.850 -5.378
248 HD21 LEU 36 HD21 LEU 36 18.280 15.679 -4.112
249 HD22 LEU 36 HD22 LEU 36 19.428 14.392 -3.741
250 HD23 LEU 36 HD23 LEU 36 17.794 14.337 -3.077
Start of MODEL 12
1 H1 GLY 1 H GLY 1 3.701 1.218 -1.074
2 HA2 GLY 1 HA2 GLY 1 1.458 -0.323 -0.337
3 HA3 GLY 1 HA3 GLY 1 1.465 -0.128 -2.084
4 H ALA 2 H ALA 2 3.564 -0.696 -3.175
5 HA ALA 2 HA ALA 2 5.181 -2.660 -1.766
6 HB1 ALA 2 HB1 ALA 2 4.736 -4.121 -3.980
7 HB2 ALA 2 HB2 ALA 2 3.831 -4.321 -2.479
8 HB3 ALA 2 HB3 ALA 2 3.157 -3.356 -3.793
9 H CYS 3 H CYS 3 7.127 -1.793 -2.137
10 HA CYS 3 HA CYS 3 8.081 -1.638 -4.866
11 HB2 CYS 3 HB2 CYS 3 8.980 0.682 -4.535
12 HB3 CYS 3 HB3 CYS 3 7.226 0.594 -4.662
13 H LEU 4 H LEU 4 10.485 -0.556 -4.622
14 HA LEU 4 HA LEU 4 11.777 -2.134 -2.497
15 HB2 LEU 4 HB2 LEU 4 12.884 -1.320 -5.180
16 HB3 LEU 4 HB3 LEU 4 13.722 -2.282 -3.965
17 HG LEU 4 HG LEU 4 11.187 -3.167 -5.332
18 HD11 LEU 4 HD11 LEU 4 13.960 -4.111 -5.991
19 HD12 LEU 4 HD12 LEU 4 13.177 -2.797 -6.869
20 HD13 LEU 4 HD13 LEU 4 12.458 -4.407 -6.867
21 HD21 LEU 4 HD21 LEU 4 12.285 -5.417 -4.568
22 HD22 LEU 4 HD22 LEU 4 11.344 -4.450 -3.432
23 HD23 LEU 4 HD23 LEU 4 13.107 -4.381 -3.400
24 H GLY 5 H GLY 5 12.784 -1.025 -0.962
25 HA2 GLY 5 HA2 GLY 5 13.048 1.819 -1.108
26 HA3 GLY 5 HA3 GLY 5 13.605 0.789 0.202
27 H PHE 6 H PHE 6 15.277 2.680 -0.144
28 HA PHE 6 HA PHE 6 17.147 2.436 -2.253
29 HB2 PHE 6 HB2 PHE 6 16.918 4.497 -0.949
30 HB3 PHE 6 HB3 PHE 6 17.482 3.660 0.493
31 HD1 PHE 6 HD2 PHE 6 18.478 4.847 -2.856
32 HD2 PHE 6 HD1 PHE 6 19.783 3.364 0.914
33 HE1 PHE 6 HE2 PHE 6 20.797 5.432 -3.433
34 HE2 PHE 6 HE1 PHE 6 22.104 3.948 0.344
35 HZ PHE 6 HZ PHE 6 22.614 4.984 -1.831
36 H GLY 7 H GLY 7 18.874 1.153 -2.514
37 HA2 GLY 7 HA2 GLY 7 20.698 -0.169 -1.841
38 HA3 GLY 7 HA3 GLY 7 20.029 -0.226 -0.216
39 H LYS 8 H LYS 8 17.813 -0.872 -2.734
40 HA LYS 8 HA LYS 8 17.830 -3.713 -1.997
41 HB2 LYS 8 HB2 LYS 8 15.688 -2.068 -3.357
42 HB3 LYS 8 HB3 LYS 8 15.543 -3.764 -2.917
43 HG2 LYS 8 HG2 LYS 8 16.051 -1.573 -0.921
44 HG3 LYS 8 HG3 LYS 8 14.440 -2.149 -1.356
45 HD2 LYS 8 HD2 LYS 8 15.549 -4.498 -0.800
46 HD3 LYS 8 HD3 LYS 8 16.584 -3.484 0.209
47 HE2 LYS 8 HE2 LYS 8 14.200 -2.480 0.890
48 HE3 LYS 8 HE3 LYS 8 13.702 -4.117 0.462
49 HZ1 LYS 8 HZ1 LYS 8 14.957 -5.032 2.141
50 HZ2 LYS 8 HZ2 LYS 8 14.430 -3.599 2.868
51 HZ3 LYS 8 HZ3 LYS 8 16.002 -3.705 2.253
52 H SER 9 H SER 9 17.575 -5.330 -3.627
53 HA SER 9 HA SER 9 19.058 -4.700 -6.033
54 HB2 SER 9 HB2 SER 9 18.773 -7.214 -6.433
55 HB3 SER 9 HB3 SER 9 19.709 -6.739 -5.016
56 HG SER 9 HG SER 9 17.776 -8.374 -4.961
57 H CYS 10 H CYS 10 17.953 -3.768 -7.633
58 HA CYS 10 HA CYS 10 15.308 -4.871 -8.322
59 HB2 CYS 10 HB2 CYS 10 14.862 -2.647 -9.378
60 HB3 CYS 10 HB3 CYS 10 15.072 -2.578 -7.632
61 H ASN 11 H ASN 11 14.799 -4.277 -10.747
62 HA ASN 11 HA ASN 11 17.086 -5.251 -12.322
63 HB2 ASN 11 HB2 ASN 11 14.902 -6.611 -12.149
64 HB3 ASN 11 HB3 ASN 11 14.209 -5.381 -13.201
65 HD21 ASN 11 HD21 ASN 11 14.367 -5.701 -15.300
66 HD22 ASN 11 HD22 ASN 11 15.470 -6.778 -16.081
67 HA PRO 12 HA PRO 12 17.196 -1.369 -14.419
68 HB2 PRO 12 HB2 PRO 12 18.639 -2.148 -16.583
69 HB3 PRO 12 HB3 PRO 12 19.355 -1.917 -14.983
70 HG2 PRO 12 HG2 PRO 12 18.499 -4.451 -16.328
71 HG3 PRO 12 HG3 PRO 12 19.966 -4.125 -15.386
72 HD2 PRO 12 HD2 PRO 12 17.826 -5.419 -14.349
73 HD3 PRO 12 HD3 PRO 12 18.878 -4.376 -13.370
74 H SER 13 H SER 13 16.393 -4.279 -16.299
75 HA SER 13 HA SER 13 15.191 -2.923 -18.463
76 HB2 SER 13 HB2 SER 13 15.864 -5.530 -17.944
77 HB3 SER 13 HB3 SER 13 14.103 -5.588 -17.865
78 HG SER 13 HG SER 13 15.069 -5.904 -19.999
79 H ASN 14 H ASN 14 14.066 -3.753 -15.303
80 HA ASN 14 HA ASN 14 11.503 -2.478 -15.905
81 HB2 ASN 14 HB2 ASN 14 11.469 -5.111 -15.912
82 HB3 ASN 14 HB3 ASN 14 11.481 -4.911 -14.162
83 HD21 ASN 14 HD21 ASN 14 9.380 -6.088 -14.642
84 HD22 ASN 14 HD22 ASN 14 7.981 -5.094 -14.848
85 H ASP 15 H ASP 15 12.988 -0.859 -14.760
86 HA ASP 15 HA ASP 15 13.749 -1.015 -12.119
87 HB2 ASP 15 HB2 ASP 15 13.502 1.463 -12.064
88 HB3 ASP 15 HB3 ASP 15 14.361 0.882 -13.488
89 H GLN 16 H GLN 16 12.631 -1.513 -10.364
90 HA GLN 16 HA GLN 16 9.923 -0.421 -10.052
91 HB2 GLN 16 HB2 GLN 16 10.738 -3.260 -9.407
92 HB3 GLN 16 HB3 GLN 16 9.169 -2.544 -9.063
93 HG2 GLN 16 HG2 GLN 16 9.572 -2.105 -11.780
94 HG3 GLN 16 HG3 GLN 16 10.156 -3.742 -11.489
95 HE21 GLN 16 HE21 GLN 16 8.656 -5.105 -10.135
96 HE22 GLN 16 HE22 GLN 16 6.969 -4.985 -10.485
97 H CYS 17 H CYS 17 11.140 1.149 -8.765
98 HA CYS 17 HA CYS 17 11.829 0.101 -6.098
99 HB2 CYS 17 HB2 CYS 17 12.908 2.500 -7.583
100 HB3 CYS 17 HB3 CYS 17 13.209 2.202 -5.874
101 H CYS 18 H CYS 18 11.804 2.264 -4.557
102 HA CYS 18 HA CYS 18 8.986 2.929 -4.437
103 HB2 CYS 18 HB2 CYS 18 11.293 3.506 -2.571
104 HB3 CYS 18 HB3 CYS 18 9.635 4.015 -2.264
105 H LYS 19 H LYS 19 8.358 4.517 -5.766
106 HA LYS 19 HA LYS 19 10.010 6.663 -6.599
107 HB2 LYS 19 HB2 LYS 19 6.992 6.581 -6.657
108 HB3 LYS 19 HB3 LYS 19 8.052 7.540 -7.682
109 HG2 LYS 19 HG2 LYS 19 7.922 4.532 -7.683
110 HG3 LYS 19 HG3 LYS 19 7.095 5.585 -8.833
111 HD2 LYS 19 HD2 LYS 19 9.478 6.561 -9.231
112 HD3 LYS 19 HD3 LYS 19 10.019 5.038 -8.520
113 HE2 LYS 19 HE2 LYS 19 8.099 5.212 -10.835
114 HE3 LYS 19 HE3 LYS 19 9.844 5.055 -11.028
115 HZ1 LYS 19 HZ1 LYS 19 9.540 3.024 -9.491
116 HZ2 LYS 19 HZ2 LYS 19 9.127 2.884 -11.125
117 HZ3 LYS 19 HZ3 LYS 19 7.917 3.101 -9.962
118 H SER 20 H SER 20 7.714 6.254 -3.986
119 HA SER 20 HA SER 20 7.282 8.908 -3.276
120 HB2 SER 20 HB2 SER 20 6.685 8.071 -1.069
121 HB3 SER 20 HB3 SER 20 6.071 6.970 -2.302
122 HG SER 20 HG SER 20 7.617 6.374 -0.271
123 H SER 21 H SER 21 9.987 6.780 -2.581
124 HA SER 21 HA SER 21 11.261 8.840 -0.944
125 HB2 SER 21 HB2 SER 21 12.270 6.056 -1.561
126 HB3 SER 21 HB3 SER 21 12.852 7.144 -0.301
127 HG SER 21 HG SER 21 10.891 6.914 0.761
128 H SER 22 H SER 22 10.890 8.817 -3.975
129 HA SER 22 HA SER 22 12.056 9.387 -5.849
130 HB2 SER 22 HB2 SER 22 13.571 10.675 -3.615
131 HB3 SER 22 HB3 SER 22 14.247 10.734 -5.243
132 HG SER 22 HG SER 22 12.170 12.124 -4.184
133 H LEU 23 H LEU 23 12.383 6.878 -5.732
134 HA LEU 23 HA LEU 23 15.277 6.334 -5.826
135 HB2 LEU 23 HB2 LEU 23 12.982 4.484 -5.207
136 HB3 LEU 23 HB3 LEU 23 14.641 3.948 -5.460
137 HG LEU 23 HG LEU 23 13.655 5.721 -3.226
138 HD11 LEU 23 HD11 LEU 23 13.879 3.900 -1.804
139 HD12 LEU 23 HD12 LEU 23 14.877 3.002 -2.946
140 HD13 LEU 23 HD13 LEU 23 13.150 3.193 -3.246
141 HD21 LEU 23 HD21 LEU 23 15.931 5.534 -2.349
142 HD22 LEU 23 HD22 LEU 23 15.907 6.343 -3.916
143 HD23 LEU 23 HD23 LEU 23 16.420 4.658 -3.800
144 H ALA 24 H ALA 24 15.922 4.650 -7.401
145 HA ALA 24 HA ALA 24 14.182 4.012 -9.578
146 HB1 ALA 24 HB1 ALA 24 16.262 6.150 -9.964
147 HB2 ALA 24 HB2 ALA 24 15.562 5.232 -11.298
148 HB3 ALA 24 HB3 ALA 24 14.531 6.244 -10.287
149 H CYS 25 H CYS 25 15.114 2.544 -11.060
150 HA CYS 25 HA CYS 25 17.484 1.199 -9.998
151 HB2 CYS 25 HB2 CYS 25 15.191 0.075 -10.617
152 HB3 CYS 25 HB3 CYS 25 15.839 0.114 -12.254
153 H SER 26 H SER 26 19.369 1.795 -10.828
154 HA SER 26 HA SER 26 19.504 2.809 -13.562
155 HB2 SER 26 HB2 SER 26 20.735 3.638 -11.261
156 HB3 SER 26 HB3 SER 26 22.003 2.670 -12.013
157 HG SER 26 HG SER 26 20.593 4.508 -13.587
158 H THR 27 H THR 27 20.642 1.854 -15.193
159 HA THR 27 HA THR 27 21.132 -0.966 -14.954
160 HB THR 27 HB THR 27 21.876 0.729 -17.331
161 HG1 THR 27 HG1 THR 27 19.794 1.262 -17.217
162 HG21 THR 27 HG21 THR 27 22.608 -1.414 -17.766
163 HG22 THR 27 HG22 THR 27 20.966 -1.488 -18.406
164 HG23 THR 27 HG23 THR 27 21.324 -2.160 -16.816
165 H LYS 28 H LYS 28 22.924 1.602 -14.035
166 HA LYS 28 HA LYS 28 25.503 0.578 -14.933
167 HB2 LYS 28 HB2 LYS 28 24.482 3.128 -13.999
168 HB3 LYS 28 HB3 LYS 28 25.947 2.674 -13.139
169 HG2 LYS 28 HG2 LYS 28 25.677 2.775 -16.136
170 HG3 LYS 28 HG3 LYS 28 26.376 4.050 -15.136
171 HD2 LYS 28 HD2 LYS 28 27.436 1.272 -14.893
172 HD3 LYS 28 HD3 LYS 28 27.904 2.249 -16.287
173 HE2 LYS 28 HE2 LYS 28 29.496 3.110 -14.985
174 HE3 LYS 28 HE3 LYS 28 28.206 3.972 -14.147
175 HZ1 LYS 28 HZ1 LYS 28 29.927 2.182 -13.028
176 HZ2 LYS 28 HZ2 LYS 28 28.507 1.283 -13.220
177 HZ3 LYS 28 HZ3 LYS 28 28.480 2.728 -12.341
178 H HIS 29 H HIS 29 23.837 1.278 -11.866
179 HA HIS 29 HA HIS 29 25.796 -0.401 -10.469
180 HB2 HIS 29 HB2 HIS 29 23.763 1.575 -9.418
181 HB3 HIS 29 HB3 HIS 29 24.806 0.590 -8.397
182 HD1 HIS 29 HD1 HIS 29 27.385 0.994 -10.232
183 HD2 HIS 29 HD2 HIS 29 24.933 3.985 -8.715
184 HE1 HIS 29 HE1 HIS 29 28.807 3.067 -10.180
185 H LYS 30 H LYS 30 22.535 -0.314 -11.537
186 HA LYS 30 HA LYS 30 20.811 -1.791 -11.398
187 HB2 LYS 30 HB2 LYS 30 23.201 -3.489 -10.849
188 HB3 LYS 30 HB3 LYS 30 21.610 -4.181 -10.562
189 HG2 LYS 30 HG2 LYS 30 21.194 -3.193 -13.003
190 HG3 LYS 30 HG3 LYS 30 22.937 -3.452 -13.100
191 HD2 LYS 30 HD2 LYS 30 21.426 -5.677 -11.921
192 HD3 LYS 30 HD3 LYS 30 21.056 -5.349 -13.616
193 HE2 LYS 30 HE2 LYS 30 23.827 -5.759 -12.497
194 HE3 LYS 30 HE3 LYS 30 22.876 -6.999 -13.314
195 HZ1 LYS 30 HZ1 LYS 30 24.565 -5.150 -14.478
196 HZ2 LYS 30 HZ2 LYS 30 23.002 -4.649 -14.889
197 HZ3 LYS 30 HZ3 LYS 30 23.515 -6.215 -15.270
198 H TRP 31 H TRP 31 20.448 -0.190 -9.481
199 HA TRP 31 HA TRP 31 19.286 -1.667 -7.379
200 HB2 TRP 31 HB2 TRP 31 20.676 -1.207 -5.532
201 HB3 TRP 31 HB3 TRP 31 21.781 -1.742 -6.794
202 HD1 TRP 31 HD1 TRP 31 22.061 1.008 -8.379
203 HE1 TRP 31 HE1 TRP 31 23.376 2.948 -7.314
204 HE3 TRP 31 HE3 TRP 31 21.803 -0.429 -3.480
205 HZ2 TRP 31 HZ2 TRP 31 24.195 3.761 -4.739
206 HZ3 TRP 31 HZ3 TRP 31 22.879 0.985 -1.778
207 HH2 TRP 31 HH2 TRP 31 24.050 3.036 -2.396
208 H CYS 32 H CYS 32 18.134 -0.326 -5.867
209 HA CYS 32 HA CYS 32 17.037 1.986 -7.040
210 HB2 CYS 32 HB2 CYS 32 16.900 1.077 -4.157
211 HB3 CYS 32 HB3 CYS 32 15.844 2.268 -4.909
212 H LYS 33 H LYS 33 18.535 3.557 -7.475
213 HA LYS 33 HA LYS 33 20.102 4.619 -5.233
214 HB2 LYS 33 HB2 LYS 33 21.303 5.893 -7.056
215 HB3 LYS 33 HB3 LYS 33 21.488 4.145 -7.103
216 HG2 LYS 33 HG2 LYS 33 20.324 3.932 -9.039
217 HG3 LYS 33 HG3 LYS 33 19.287 5.320 -8.699
218 HD2 LYS 33 HD2 LYS 33 20.718 5.881 -10.539
219 HD3 LYS 33 HD3 LYS 33 21.246 6.802 -9.129
220 HE2 LYS 33 HE2 LYS 33 23.147 5.489 -8.834
221 HE3 LYS 33 HE3 LYS 33 22.494 4.160 -9.790
222 HZ1 LYS 33 HZ1 LYS 33 22.576 6.191 -11.567
223 HZ2 LYS 33 HZ2 LYS 33 23.758 4.991 -11.412
224 HZ3 LYS 33 HZ3 LYS 33 23.962 6.483 -10.642
225 H TYR 34 H TYR 34 19.992 6.767 -4.623
226 HA TYR 34 HA TYR 34 17.510 8.038 -4.787
227 HB2 TYR 34 HB2 TYR 34 20.242 8.948 -3.934
228 HB3 TYR 34 HB3 TYR 34 18.902 10.088 -3.991
229 HD1 TYR 34 HD1 TYR 34 16.641 8.635 -2.986
230 HD2 TYR 34 HD2 TYR 34 20.701 8.438 -1.730
231 HE1 TYR 34 HE1 TYR 34 15.909 7.891 -0.759
232 HE2 TYR 34 HE2 TYR 34 19.981 7.691 0.500
233 HH TYR 34 HH TYR 34 17.846 6.453 1.427
234 H GLU 35 H GLU 35 16.585 9.195 -6.335
235 HA GLU 35 HA GLU 35 18.056 9.883 -8.716
236 HB2 GLU 35 HB2 GLU 35 15.186 9.987 -7.881
237 HB3 GLU 35 HB3 GLU 35 15.706 10.931 -9.270
238 HG2 GLU 35 HG2 GLU 35 16.761 8.671 -10.041
239 HG3 GLU 35 HG3 GLU 35 15.588 7.977 -8.923
240 H LEU 36 H LEU 36 19.373 11.595 -8.576
241 HA LEU 36 HA LEU 36 18.399 14.017 -7.228
242 HB2 LEU 36 HB2 LEU 36 21.213 13.363 -8.083
243 HB3 LEU 36 HB3 LEU 36 20.697 14.716 -7.078
244 HG LEU 36 HG LEU 36 20.185 11.932 -6.133
245 HD11 LEU 36 HD11 LEU 36 22.606 12.724 -4.994
246 HD12 LEU 36 HD12 LEU 36 22.794 12.991 -6.727
247 HD13 LEU 36 HD13 LEU 36 22.338 11.397 -6.125
248 HD21 LEU 36 HD21 LEU 36 19.259 13.469 -4.686
249 HD22 LEU 36 HD22 LEU 36 20.541 14.652 -4.950
250 HD23 LEU 36 HD23 LEU 36 20.851 13.219 -3.968
Start of MODEL 13
1 H1 GLY 1 H GLY 1 0.792 -0.247 0.332
2 HA2 GLY 1 HA2 GLY 1 2.905 0.884 -1.196
3 HA3 GLY 1 HA3 GLY 1 2.985 0.427 0.499
4 H ALA 2 H ALA 2 3.605 -0.549 -2.772
5 HA ALA 2 HA ALA 2 5.214 -2.781 -1.745
6 HB1 ALA 2 HB1 ALA 2 3.185 -3.795 -2.557
7 HB2 ALA 2 HB2 ALA 2 3.322 -2.928 -4.088
8 HB3 ALA 2 HB3 ALA 2 4.504 -4.168 -3.667
9 H CYS 3 H CYS 3 7.190 -1.917 -2.106
10 HA CYS 3 HA CYS 3 8.084 -1.701 -4.830
11 HB2 CYS 3 HB2 CYS 3 9.006 0.619 -4.515
12 HB3 CYS 3 HB3 CYS 3 7.252 0.536 -4.645
13 H LEU 4 H LEU 4 10.496 -0.631 -4.630
14 HA LEU 4 HA LEU 4 11.812 -2.214 -2.524
15 HB2 LEU 4 HB2 LEU 4 12.881 -1.374 -5.215
16 HB3 LEU 4 HB3 LEU 4 13.746 -2.332 -4.015
17 HG LEU 4 HG LEU 4 11.206 -3.231 -5.368
18 HD11 LEU 4 HD11 LEU 4 13.158 -2.873 -6.924
19 HD12 LEU 4 HD12 LEU 4 12.506 -4.510 -6.870
20 HD13 LEU 4 HD13 LEU 4 14.002 -4.129 -6.017
21 HD21 LEU 4 HD21 LEU 4 11.362 -4.504 -3.461
22 HD22 LEU 4 HD22 LEU 4 13.124 -4.437 -3.428
23 HD23 LEU 4 HD23 LEU 4 12.303 -5.476 -4.593
24 H GLY 5 H GLY 5 12.798 -1.103 -0.977
25 HA2 GLY 5 HA2 GLY 5 13.065 1.737 -1.099
26 HA3 GLY 5 HA3 GLY 5 13.640 0.693 0.193
27 H PHE 6 H PHE 6 15.303 2.591 -0.144
28 HA PHE 6 HA PHE 6 17.150 2.381 -2.278
29 HB2 PHE 6 HB2 PHE 6 16.922 4.424 -0.939
30 HB3 PHE 6 HB3 PHE 6 17.520 3.569 0.480
31 HD1 PHE 6 HD2 PHE 6 18.452 4.756 -2.895
32 HD2 PHE 6 HD1 PHE 6 19.822 3.340 0.878
33 HE1 PHE 6 HE2 PHE 6 20.756 5.367 -3.505
34 HE2 PHE 6 HE1 PHE 6 22.128 3.949 0.274
35 HZ PHE 6 HZ PHE 6 22.597 4.965 -1.920
36 H GLY 7 H GLY 7 18.900 1.129 -2.564
37 HA2 GLY 7 HA2 GLY 7 20.725 -0.207 -1.938
38 HA3 GLY 7 HA3 GLY 7 20.085 -0.275 -0.303
39 H LYS 8 H LYS 8 17.820 -0.911 -2.778
40 HA LYS 8 HA LYS 8 17.845 -3.751 -2.049
41 HB2 LYS 8 HB2 LYS 8 15.705 -2.090 -3.392
42 HB3 LYS 8 HB3 LYS 8 15.555 -3.794 -2.984
43 HG2 LYS 8 HG2 LYS 8 16.022 -1.600 -0.976
44 HG3 LYS 8 HG3 LYS 8 14.441 -2.275 -1.379
45 HD2 LYS 8 HD2 LYS 8 15.471 -4.545 -0.778
46 HD3 LYS 8 HD3 LYS 8 16.766 -3.611 -0.024
47 HE2 LYS 8 HE2 LYS 8 14.008 -2.819 0.671
48 HE3 LYS 8 HE3 LYS 8 14.537 -4.392 1.267
49 HZ1 LYS 8 HZ1 LYS 8 14.977 -2.141 2.575
50 HZ2 LYS 8 HZ2 LYS 8 16.381 -2.168 1.633
51 HZ3 LYS 8 HZ3 LYS 8 16.029 -3.464 2.663
52 H SER 9 H SER 9 17.513 -5.363 -3.699
53 HA SER 9 HA SER 9 19.015 -4.747 -6.103
54 HB2 SER 9 HB2 SER 9 17.985 -7.310 -4.893
55 HB3 SER 9 HB3 SER 9 18.707 -7.261 -6.501
56 HG SER 9 HG SER 9 20.270 -7.745 -4.930
57 H CYS 10 H CYS 10 17.907 -3.807 -7.696
58 HA CYS 10 HA CYS 10 15.254 -4.897 -8.374
59 HB2 CYS 10 HB2 CYS 10 14.804 -2.674 -9.419
60 HB3 CYS 10 HB3 CYS 10 15.041 -2.600 -7.676
61 H ASN 11 H ASN 11 14.737 -4.297 -10.796
62 HA ASN 11 HA ASN 11 17.017 -5.267 -12.384
63 HB2 ASN 11 HB2 ASN 11 14.881 -6.670 -12.205
64 HB3 ASN 11 HB3 ASN 11 14.119 -5.433 -13.201
65 HD21 ASN 11 HD21 ASN 11 14.269 -5.623 -15.324
66 HD22 ASN 11 HD22 ASN 11 15.344 -6.681 -16.167
67 HA PRO 12 HA PRO 12 17.076 -1.390 -14.493
68 HB2 PRO 12 HB2 PRO 12 18.509 -2.162 -16.666
69 HB3 PRO 12 HB3 PRO 12 19.235 -1.921 -15.072
70 HG2 PRO 12 HG2 PRO 12 18.391 -4.466 -16.404
71 HG3 PRO 12 HG3 PRO 12 19.862 -4.124 -15.475
72 HD2 PRO 12 HD2 PRO 12 17.742 -5.434 -14.417
73 HD3 PRO 12 HD3 PRO 12 18.793 -4.380 -13.449
74 H SER 13 H SER 13 16.284 -4.312 -16.360
75 HA SER 13 HA SER 13 15.065 -2.986 -18.526
76 HB2 SER 13 HB2 SER 13 15.832 -5.451 -18.328
77 HB3 SER 13 HB3 SER 13 14.247 -5.735 -17.611
78 HG SER 13 HG SER 13 14.464 -4.358 -20.053
79 H ASN 14 H ASN 14 13.957 -3.749 -15.344
80 HA ASN 14 HA ASN 14 11.406 -2.454 -15.941
81 HB2 ASN 14 HB2 ASN 14 11.322 -5.081 -15.966
82 HB3 ASN 14 HB3 ASN 14 11.357 -4.900 -14.214
83 HD21 ASN 14 HD21 ASN 14 9.329 -5.509 -16.558
84 HD22 ASN 14 HD22 ASN 14 7.907 -4.693 -16.011
85 H ASP 15 H ASP 15 12.866 -0.841 -14.794
86 HA ASP 15 HA ASP 15 13.666 -1.009 -12.166
87 HB2 ASP 15 HB2 ASP 15 13.472 1.443 -12.087
88 HB3 ASP 15 HB3 ASP 15 14.198 0.902 -13.598
89 H GLN 16 H GLN 16 12.592 -1.494 -10.380
90 HA GLN 16 HA GLN 16 9.875 -0.445 -10.027
91 HB2 GLN 16 HB2 GLN 16 10.719 -3.279 -9.396
92 HB3 GLN 16 HB3 GLN 16 9.143 -2.576 -9.057
93 HG2 GLN 16 HG2 GLN 16 9.600 -2.152 -11.786
94 HG3 GLN 16 HG3 GLN 16 10.112 -3.806 -11.455
95 HE21 GLN 16 HE21 GLN 16 8.583 -5.254 -11.698
96 HE22 GLN 16 HE22 GLN 16 6.890 -5.006 -11.463
97 H CYS 17 H CYS 17 11.094 1.127 -8.747
98 HA CYS 17 HA CYS 17 11.823 0.067 -6.095
99 HB2 CYS 17 HB2 CYS 17 12.884 2.479 -7.575
100 HB3 CYS 17 HB3 CYS 17 13.216 2.155 -5.876
101 H CYS 18 H CYS 18 11.823 2.232 -4.551
102 HA CYS 18 HA CYS 18 9.005 2.907 -4.405
103 HB2 CYS 18 HB2 CYS 18 11.329 3.425 -2.544
104 HB3 CYS 18 HB3 CYS 18 9.688 3.977 -2.226
105 H LYS 19 H LYS 19 8.368 4.525 -5.685
106 HA LYS 19 HA LYS 19 10.033 6.660 -6.524
107 HB2 LYS 19 HB2 LYS 19 7.013 6.599 -6.530
108 HB3 LYS 19 HB3 LYS 19 8.057 7.582 -7.548
109 HG2 LYS 19 HG2 LYS 19 7.903 4.576 -7.621
110 HG3 LYS 19 HG3 LYS 19 7.087 5.668 -8.742
111 HD2 LYS 19 HD2 LYS 19 9.525 6.616 -9.064
112 HD3 LYS 19 HD3 LYS 19 9.983 5.011 -8.490
113 HE2 LYS 19 HE2 LYS 19 7.968 5.325 -10.681
114 HE3 LYS 19 HE3 LYS 19 9.692 5.421 -11.035
115 HZ1 LYS 19 HZ1 LYS 19 9.877 3.229 -10.895
116 HZ2 LYS 19 HZ2 LYS 19 8.189 3.138 -10.835
117 HZ3 LYS 19 HZ3 LYS 19 9.085 3.170 -9.401
118 H SER 20 H SER 20 7.748 6.261 -3.892
119 HA SER 20 HA SER 20 7.373 8.906 -3.137
120 HB2 SER 20 HB2 SER 20 6.043 7.277 -2.051
121 HB3 SER 20 HB3 SER 20 7.453 6.352 -1.535
122 HG SER 20 HG SER 20 6.432 7.688 0.117
123 H SER 21 H SER 21 10.062 6.736 -2.501
124 HA SER 21 HA SER 21 11.390 8.772 -0.875
125 HB2 SER 21 HB2 SER 21 11.950 5.859 -1.410
126 HB3 SER 21 HB3 SER 21 13.142 6.903 -0.637
127 HG SER 21 HG SER 21 10.574 6.171 0.286
128 H SER 22 H SER 22 10.969 8.784 -3.895
129 HA SER 22 HA SER 22 12.113 9.337 -5.788
130 HB2 SER 22 HB2 SER 22 13.662 10.614 -3.572
131 HB3 SER 22 HB3 SER 22 14.323 10.667 -5.206
132 HG SER 22 HG SER 22 12.531 11.770 -5.890
133 H LEU 23 H LEU 23 12.426 6.834 -5.704
134 HA LEU 23 HA LEU 23 15.315 6.268 -5.827
135 HB2 LEU 23 HB2 LEU 23 13.016 4.427 -5.194
136 HB3 LEU 23 HB3 LEU 23 14.672 3.887 -5.460
137 HG LEU 23 HG LEU 23 13.701 5.649 -3.211
138 HD11 LEU 23 HD11 LEU 23 13.975 3.819 -1.796
139 HD12 LEU 23 HD12 LEU 23 14.923 2.922 -2.981
140 HD13 LEU 23 HD13 LEU 23 13.189 3.136 -3.219
141 HD21 LEU 23 HD21 LEU 23 15.948 6.279 -3.925
142 HD22 LEU 23 HD22 LEU 23 16.466 4.597 -3.804
143 HD23 LEU 23 HD23 LEU 23 15.983 5.478 -2.354
144 H ALA 24 H ALA 24 15.937 4.599 -7.421
145 HA ALA 24 HA ALA 24 14.167 3.972 -9.577
146 HB1 ALA 24 HB1 ALA 24 16.065 6.252 -9.849
147 HB2 ALA 24 HB2 ALA 24 15.772 5.209 -11.241
148 HB3 ALA 24 HB3 ALA 24 14.430 6.064 -10.481
149 H CYS 25 H CYS 25 15.078 2.510 -11.077
150 HA CYS 25 HA CYS 25 17.450 1.149 -10.050
151 HB2 CYS 25 HB2 CYS 25 15.146 0.052 -10.699
152 HB3 CYS 25 HB3 CYS 25 15.815 0.102 -12.327
153 H SER 26 H SER 26 19.348 1.689 -10.883
154 HA SER 26 HA SER 26 19.484 2.759 -13.601
155 HB2 SER 26 HB2 SER 26 20.696 3.592 -11.302
156 HB3 SER 26 HB3 SER 26 21.970 2.608 -12.023
157 HG SER 26 HG SER 26 22.166 4.002 -13.617
158 H THR 27 H THR 27 20.626 1.818 -15.236
159 HA THR 27 HA THR 27 21.123 -1.003 -15.015
160 HB THR 27 HB THR 27 21.956 0.608 -17.401
161 HG1 THR 27 HG1 THR 27 19.277 -0.235 -16.989
162 HG21 THR 27 HG21 THR 27 20.978 -1.422 -18.546
163 HG22 THR 27 HG22 THR 27 20.817 -2.144 -16.945
164 HG23 THR 27 HG23 THR 27 22.412 -1.719 -17.564
165 H LYS 28 H LYS 28 22.906 1.562 -14.073
166 HA LYS 28 HA LYS 28 25.489 0.558 -14.980
167 HB2 LYS 28 HB2 LYS 28 24.636 3.083 -14.613
168 HB3 LYS 28 HB3 LYS 28 25.332 2.786 -13.026
169 HG2 LYS 28 HG2 LYS 28 26.829 2.323 -15.591
170 HG3 LYS 28 HG3 LYS 28 26.861 3.850 -14.706
171 HD2 LYS 28 HD2 LYS 28 27.365 1.703 -12.889
172 HD3 LYS 28 HD3 LYS 28 28.442 1.547 -14.278
173 HE2 LYS 28 HE2 LYS 28 28.170 4.277 -13.239
174 HE3 LYS 28 HE3 LYS 28 28.902 3.135 -12.113
175 HZ1 LYS 28 HZ1 LYS 28 30.777 3.142 -13.274
176 HZ2 LYS 28 HZ2 LYS 28 30.160 4.434 -14.173
177 HZ3 LYS 28 HZ3 LYS 28 29.975 2.849 -14.735
178 H HIS 29 H HIS 29 23.820 1.216 -11.905
179 HA HIS 29 HA HIS 29 25.782 -0.479 -10.530
180 HB2 HIS 29 HB2 HIS 29 23.780 1.531 -9.490
181 HB3 HIS 29 HB3 HIS 29 24.735 0.484 -8.444
182 HD1 HIS 29 HD1 HIS 29 27.445 0.750 -9.979
183 HD2 HIS 29 HD2 HIS 29 24.986 3.918 -8.895
184 HE1 HIS 29 HE1 HIS 29 28.946 2.765 -9.887
185 H LYS 30 H LYS 30 22.539 -0.401 -11.624
186 HA LYS 30 HA LYS 30 20.815 -1.880 -11.502
187 HB2 LYS 30 HB2 LYS 30 23.198 -3.578 -10.905
188 HB3 LYS 30 HB3 LYS 30 21.598 -4.267 -10.665
189 HG2 LYS 30 HG2 LYS 30 21.197 -3.340 -13.094
190 HG3 LYS 30 HG3 LYS 30 22.957 -3.450 -13.178
191 HD2 LYS 30 HD2 LYS 30 21.245 -5.743 -12.253
192 HD3 LYS 30 HD3 LYS 30 21.631 -5.483 -13.955
193 HE2 LYS 30 HE2 LYS 30 23.981 -5.690 -13.511
194 HE3 LYS 30 HE3 LYS 30 23.695 -5.742 -11.773
195 HZ1 LYS 30 HZ1 LYS 30 22.247 -7.793 -12.427
196 HZ2 LYS 30 HZ2 LYS 30 23.921 -7.950 -12.245
197 HZ3 LYS 30 HZ3 LYS 30 23.247 -7.822 -13.791
198 H TRP 31 H TRP 31 20.426 -0.276 -9.591
199 HA TRP 31 HA TRP 31 19.252 -1.761 -7.497
200 HB2 TRP 31 HB2 TRP 31 20.611 -1.246 -5.633
201 HB3 TRP 31 HB3 TRP 31 21.729 -1.810 -6.872
202 HD1 TRP 31 HD1 TRP 31 21.967 0.939 -8.509
203 HE1 TRP 31 HE1 TRP 31 23.295 2.888 -7.479
204 HE3 TRP 31 HE3 TRP 31 21.799 -0.471 -3.597
205 HZ2 TRP 31 HZ2 TRP 31 24.157 3.719 -4.922
206 HZ3 TRP 31 HZ3 TRP 31 22.900 0.956 -1.923
207 HH2 TRP 31 HH2 TRP 31 24.055 3.007 -2.573
208 H CYS 32 H CYS 32 18.204 -0.361 -5.879
209 HA CYS 32 HA CYS 32 17.030 1.908 -7.117
210 HB2 CYS 32 HB2 CYS 32 16.901 1.004 -4.232
211 HB3 CYS 32 HB3 CYS 32 15.843 2.197 -4.978
212 H LYS 33 H LYS 33 18.535 3.474 -7.567
213 HA LYS 33 HA LYS 33 20.095 4.565 -5.336
214 HB2 LYS 33 HB2 LYS 33 21.271 5.848 -7.164
215 HB3 LYS 33 HB3 LYS 33 21.461 4.101 -7.229
216 HG2 LYS 33 HG2 LYS 33 20.303 3.905 -9.162
217 HG3 LYS 33 HG3 LYS 33 19.229 5.255 -8.786
218 HD2 LYS 33 HD2 LYS 33 20.668 5.825 -10.656
219 HD3 LYS 33 HD3 LYS 33 21.068 6.823 -9.255
220 HE2 LYS 33 HE2 LYS 33 23.069 5.728 -8.883
221 HE3 LYS 33 HE3 LYS 33 22.546 4.270 -9.725
222 HZ1 LYS 33 HZ1 LYS 33 22.661 5.528 -11.817
223 HZ2 LYS 33 HZ2 LYS 33 24.162 5.426 -11.045
224 HZ3 LYS 33 HZ3 LYS 33 23.272 6.863 -10.976
225 H TYR 34 H TYR 34 19.942 6.692 -4.697
226 HA TYR 34 HA TYR 34 17.450 7.941 -4.863
227 HB2 TYR 34 HB2 TYR 34 20.167 8.899 -4.002
228 HB3 TYR 34 HB3 TYR 34 18.785 9.988 -4.012
229 HD1 TYR 34 HD1 TYR 34 16.586 8.614 -2.951
230 HD2 TYR 34 HD2 TYR 34 20.680 8.156 -1.888
231 HE1 TYR 34 HE1 TYR 34 15.912 7.785 -0.736
232 HE2 TYR 34 HE2 TYR 34 20.018 7.324 0.330
233 HH TYR 34 HH TYR 34 18.334 6.872 1.699
234 H GLU 35 H GLU 35 16.527 9.170 -6.362
235 HA GLU 35 HA GLU 35 18.120 10.024 -8.655
236 HB2 GLU 35 HB2 GLU 35 15.286 9.375 -8.177
237 HB3 GLU 35 HB3 GLU 35 15.558 10.732 -9.261
238 HG2 GLU 35 HG2 GLU 35 17.204 8.359 -9.791
239 HG3 GLU 35 HG3 GLU 35 15.471 8.151 -10.037
240 H LEU 36 H LEU 36 19.064 11.946 -8.420
241 HA LEU 36 HA LEU 36 17.703 14.066 -6.941
242 HB2 LEU 36 HB2 LEU 36 20.504 13.606 -7.866
243 HB3 LEU 36 HB3 LEU 36 19.968 15.244 -7.497
244 HG LEU 36 HG LEU 36 19.234 14.150 -5.223
245 HD11 LEU 36 HD11 LEU 36 21.490 12.337 -6.060
246 HD12 LEU 36 HD12 LEU 36 19.795 11.857 -5.973
247 HD13 LEU 36 HD13 LEU 36 20.648 12.345 -4.510
248 HD21 LEU 36 HD21 LEU 36 21.476 14.686 -4.314
249 HD22 LEU 36 HD22 LEU 36 20.840 15.935 -5.385
250 HD23 LEU 36 HD23 LEU 36 22.078 14.821 -5.966
Start of MODEL 14
1 H1 GLY 1 H GLY 1 4.210 1.230 -0.239
2 HA2 GLY 1 HA2 GLY 1 2.019 -0.190 0.113
3 HA3 GLY 1 HA3 GLY 1 1.854 0.160 -1.601
4 H ALA 2 H ALA 2 3.537 -0.603 -3.044
5 HA ALA 2 HA ALA 2 5.157 -2.799 -1.958
6 HB1 ALA 2 HB1 ALA 2 4.544 -4.180 -3.939
7 HB2 ALA 2 HB2 ALA 2 3.209 -3.887 -2.824
8 HB3 ALA 2 HB3 ALA 2 3.313 -2.981 -4.334
9 H CYS 3 H CYS 3 7.125 -1.893 -2.253
10 HA CYS 3 HA CYS 3 8.079 -1.628 -4.963
11 HB2 CYS 3 HB2 CYS 3 8.998 0.672 -4.572
12 HB3 CYS 3 HB3 CYS 3 7.243 0.608 -4.695
13 H LEU 4 H LEU 4 10.493 -0.568 -4.673
14 HA LEU 4 HA LEU 4 11.757 -2.195 -2.567
15 HB2 LEU 4 HB2 LEU 4 12.868 -1.420 -5.260
16 HB3 LEU 4 HB3 LEU 4 13.695 -2.389 -4.042
17 HG LEU 4 HG LEU 4 11.138 -3.232 -5.397
18 HD11 LEU 4 HD11 LEU 4 12.364 -4.480 -6.939
19 HD12 LEU 4 HD12 LEU 4 13.868 -4.291 -6.040
20 HD13 LEU 4 HD13 LEU 4 13.182 -2.918 -6.908
21 HD21 LEU 4 HD21 LEU 4 12.186 -5.498 -4.606
22 HD22 LEU 4 HD22 LEU 4 11.259 -4.499 -3.486
23 HD23 LEU 4 HD23 LEU 4 13.023 -4.467 -3.445
24 H GLY 5 H GLY 5 12.591 -1.008 -0.988
25 HA2 GLY 5 HA2 GLY 5 12.984 1.792 -1.168
26 HA3 GLY 5 HA3 GLY 5 13.525 0.758 0.147
27 H PHE 6 H PHE 6 15.239 2.595 -0.172
28 HA PHE 6 HA PHE 6 17.100 2.342 -2.291
29 HB2 PHE 6 HB2 PHE 6 16.912 4.392 -0.961
30 HB3 PHE 6 HB3 PHE 6 17.464 3.526 0.469
31 HD1 PHE 6 HD2 PHE 6 18.473 4.740 -2.866
32 HD2 PHE 6 HD1 PHE 6 19.761 3.175 0.877
33 HE1 PHE 6 HE2 PHE 6 20.801 5.287 -3.443
34 HE2 PHE 6 HE1 PHE 6 22.091 3.721 0.307
35 HZ PHE 6 HZ PHE 6 22.614 4.779 -1.855
36 H GLY 7 H GLY 7 18.852 1.076 -2.545
37 HA2 GLY 7 HA2 GLY 7 20.627 -0.312 -1.908
38 HA3 GLY 7 HA3 GLY 7 19.974 -0.360 -0.277
39 H LYS 8 H LYS 8 17.720 -0.954 -2.775
40 HA LYS 8 HA LYS 8 17.676 -3.793 -2.034
41 HB2 LYS 8 HB2 LYS 8 15.578 -2.090 -3.393
42 HB3 LYS 8 HB3 LYS 8 15.389 -3.788 -2.977
43 HG2 LYS 8 HG2 LYS 8 15.901 -1.599 -0.975
44 HG3 LYS 8 HG3 LYS 8 14.304 -2.228 -1.387
45 HD2 LYS 8 HD2 LYS 8 14.833 -4.377 -0.528
46 HD3 LYS 8 HD3 LYS 8 16.547 -3.976 -0.396
47 HE2 LYS 8 HE2 LYS 8 15.586 -3.898 1.796
48 HE3 LYS 8 HE3 LYS 8 15.943 -2.247 1.291
49 HZ1 LYS 8 HZ1 LYS 8 13.412 -3.473 1.893
50 HZ2 LYS 8 HZ2 LYS 8 13.402 -2.599 0.445
51 HZ3 LYS 8 HZ3 LYS 8 13.847 -1.838 1.888
52 H SER 9 H SER 9 17.489 -5.421 -3.625
53 HA SER 9 HA SER 9 18.961 -4.835 -6.036
54 HB2 SER 9 HB2 SER 9 17.851 -7.377 -4.846
55 HB3 SER 9 HB3 SER 9 18.622 -7.338 -6.432
56 HG SER 9 HG SER 9 19.760 -7.373 -3.995
57 H CYS 10 H CYS 10 17.887 -3.867 -7.638
58 HA CYS 10 HA CYS 10 15.227 -4.914 -8.356
59 HB2 CYS 10 HB2 CYS 10 14.834 -2.677 -9.405
60 HB3 CYS 10 HB3 CYS 10 15.030 -2.619 -7.657
61 H ASN 11 H ASN 11 14.754 -4.294 -10.784
62 HA ASN 11 HA ASN 11 17.034 -5.311 -12.341
63 HB2 ASN 11 HB2 ASN 11 14.708 -6.535 -12.164
64 HB3 ASN 11 HB3 ASN 11 14.226 -5.354 -13.378
65 HD21 ASN 11 HD21 ASN 11 14.332 -6.129 -15.344
66 HD22 ASN 11 HD22 ASN 11 15.508 -7.244 -15.944
67 HA PRO 12 HA PRO 12 17.259 -1.424 -14.418
68 HB2 PRO 12 HB2 PRO 12 18.694 -2.228 -16.578
69 HB3 PRO 12 HB3 PRO 12 19.406 -2.026 -14.972
70 HG2 PRO 12 HG2 PRO 12 18.492 -4.528 -16.338
71 HG3 PRO 12 HG3 PRO 12 19.960 -4.246 -15.385
72 HD2 PRO 12 HD2 PRO 12 17.780 -5.489 -14.368
73 HD3 PRO 12 HD3 PRO 12 18.854 -4.480 -13.377
74 H SER 13 H SER 13 16.383 -4.302 -16.314
75 HA SER 13 HA SER 13 15.195 -2.854 -18.449
76 HB2 SER 13 HB2 SER 13 16.027 -5.312 -18.395
77 HB3 SER 13 HB3 SER 13 14.434 -5.675 -17.731
78 HG SER 13 HG SER 13 13.621 -5.445 -19.649
79 H ASN 14 H ASN 14 14.114 -3.769 -15.316
80 HA ASN 14 HA ASN 14 11.484 -2.621 -15.907
81 HB2 ASN 14 HB2 ASN 14 11.640 -5.272 -15.802
82 HB3 ASN 14 HB3 ASN 14 11.575 -4.970 -14.068
83 HD21 ASN 14 HD21 ASN 14 9.855 -3.062 -13.669
84 HD22 ASN 14 HD22 ASN 14 8.297 -3.425 -14.321
85 H ASP 15 H ASP 15 12.876 -0.884 -14.835
86 HA ASP 15 HA ASP 15 13.700 -0.916 -12.209
87 HB2 ASP 15 HB2 ASP 15 14.263 1.020 -13.376
88 HB3 ASP 15 HB3 ASP 15 12.623 1.256 -13.974
89 H GLN 16 H GLN 16 12.648 -1.451 -10.424
90 HA GLN 16 HA GLN 16 9.904 -0.485 -10.051
91 HB2 GLN 16 HB2 GLN 16 10.826 -3.297 -9.433
92 HB3 GLN 16 HB3 GLN 16 9.234 -2.636 -9.082
93 HG2 GLN 16 HG2 GLN 16 9.844 -2.268 -11.854
94 HG3 GLN 16 HG3 GLN 16 10.082 -3.956 -11.403
95 HE21 GLN 16 HE21 GLN 16 8.356 -5.226 -11.160
96 HE22 GLN 16 HE22 GLN 16 6.714 -4.692 -11.217
97 H CYS 17 H CYS 17 11.098 1.115 -8.779
98 HA CYS 17 HA CYS 17 11.854 0.069 -6.128
99 HB2 CYS 17 HB2 CYS 17 12.899 2.474 -7.629
100 HB3 CYS 17 HB3 CYS 17 13.224 2.180 -5.924
101 H CYS 18 H CYS 18 11.837 2.233 -4.588
102 HA CYS 18 HA CYS 18 9.016 2.892 -4.445
103 HB2 CYS 18 HB2 CYS 18 11.328 3.446 -2.579
104 HB3 CYS 18 HB3 CYS 18 9.671 3.948 -2.261
105 H LYS 19 H LYS 19 8.444 4.463 -5.837
106 HA LYS 19 HA LYS 19 10.085 6.623 -6.616
107 HB2 LYS 19 HB2 LYS 19 7.070 6.406 -6.711
108 HB3 LYS 19 HB3 LYS 19 8.046 7.566 -7.603
109 HG2 LYS 19 HG2 LYS 19 8.167 4.575 -7.934
110 HG3 LYS 19 HG3 LYS 19 7.308 5.692 -8.997
111 HD2 LYS 19 HD2 LYS 19 9.515 6.853 -9.368
112 HD3 LYS 19 HD3 LYS 19 10.277 5.505 -8.522
113 HE2 LYS 19 HE2 LYS 19 8.424 4.904 -10.772
114 HE3 LYS 19 HE3 LYS 19 10.028 5.530 -11.153
115 HZ1 LYS 19 HZ1 LYS 19 9.483 2.944 -10.782
116 HZ2 LYS 19 HZ2 LYS 19 9.967 3.373 -9.219
117 HZ3 LYS 19 HZ3 LYS 19 11.010 3.628 -10.527
118 H SER 20 H SER 20 7.778 6.199 -4.016
119 HA SER 20 HA SER 20 7.322 8.836 -3.284
120 HB2 SER 20 HB2 SER 20 6.784 7.979 -1.063
121 HB3 SER 20 HB3 SER 20 6.153 6.888 -2.296
122 HG SER 20 HG SER 20 7.178 5.659 -0.747
123 H SER 21 H SER 21 10.073 6.756 -2.619
124 HA SER 21 HA SER 21 11.332 8.855 -1.015
125 HB2 SER 21 HB2 SER 21 11.899 5.934 -1.439
126 HB3 SER 21 HB3 SER 21 13.139 6.999 -0.777
127 HG SER 21 HG SER 21 11.706 5.901 0.774
128 H SER 22 H SER 22 10.941 8.803 -4.032
129 HA SER 22 HA SER 22 12.088 9.348 -5.925
130 HB2 SER 22 HB2 SER 22 12.727 11.179 -4.129
131 HB3 SER 22 HB3 SER 22 14.326 10.450 -4.274
132 HG SER 22 HG SER 22 14.535 11.550 -6.039
133 H LEU 23 H LEU 23 12.422 6.835 -5.760
134 HA LEU 23 HA LEU 23 15.316 6.296 -5.875
135 HB2 LEU 23 HB2 LEU 23 13.023 4.452 -5.230
136 HB3 LEU 23 HB3 LEU 23 14.681 3.912 -5.488
137 HG LEU 23 HG LEU 23 13.714 5.708 -3.264
138 HD11 LEU 23 HD11 LEU 23 13.187 3.187 -3.256
139 HD12 LEU 23 HD12 LEU 23 13.931 3.900 -1.826
140 HD13 LEU 23 HD13 LEU 23 14.915 2.982 -2.966
141 HD21 LEU 23 HD21 LEU 23 15.955 6.328 -3.930
142 HD22 LEU 23 HD22 LEU 23 16.466 4.641 -3.886
143 HD23 LEU 23 HD23 LEU 23 16.008 5.463 -2.394
144 H ALA 24 H ALA 24 15.958 4.602 -7.439
145 HA ALA 24 HA ALA 24 14.210 3.943 -9.604
146 HB1 ALA 24 HB1 ALA 24 16.479 5.680 -10.465
147 HB2 ALA 24 HB2 ALA 24 14.969 5.307 -11.297
148 HB3 ALA 24 HB3 ALA 24 14.969 6.416 -9.926
149 H CYS 25 H CYS 25 15.142 2.468 -11.082
150 HA CYS 25 HA CYS 25 17.511 1.129 -10.014
151 HB2 CYS 25 HB2 CYS 25 15.217 0.007 -10.643
152 HB3 CYS 25 HB3 CYS 25 15.879 0.036 -12.274
153 H SER 26 H SER 26 19.417 1.596 -10.867
154 HA SER 26 HA SER 26 19.550 2.609 -13.615
155 HB2 SER 26 HB2 SER 26 20.746 3.517 -11.308
156 HB3 SER 26 HB3 SER 26 22.042 2.591 -12.065
157 HG SER 26 HG SER 26 21.231 3.870 -14.042
158 H THR 27 H THR 27 20.760 1.644 -15.194
159 HA THR 27 HA THR 27 21.294 -1.160 -14.868
160 HB THR 27 HB THR 27 22.177 0.369 -17.286
161 HG1 THR 27 HG1 THR 27 20.050 0.403 -18.032
162 HG21 THR 27 HG21 THR 27 22.565 -1.795 -17.798
163 HG22 THR 27 HG22 THR 27 20.833 -1.834 -18.127
164 HG23 THR 27 HG23 THR 27 21.447 -2.391 -16.571
165 H LYS 28 H LYS 28 23.014 1.455 -13.957
166 HA LYS 28 HA LYS 28 25.634 0.514 -14.796
167 HB2 LYS 28 HB2 LYS 28 24.518 2.994 -13.755
168 HB3 LYS 28 HB3 LYS 28 26.017 2.552 -12.948
169 HG2 LYS 28 HG2 LYS 28 27.273 2.797 -14.841
170 HG3 LYS 28 HG3 LYS 28 25.920 2.445 -15.918
171 HD2 LYS 28 HD2 LYS 28 26.126 4.703 -16.250
172 HD3 LYS 28 HD3 LYS 28 24.975 4.691 -14.912
173 HE2 LYS 28 HE2 LYS 28 26.759 5.091 -13.329
174 HE3 LYS 28 HE3 LYS 28 27.962 4.980 -14.612
175 HZ1 LYS 28 HZ1 LYS 28 27.730 7.154 -14.873
176 HZ2 LYS 28 HZ2 LYS 28 26.429 7.218 -13.794
177 HZ3 LYS 28 HZ3 LYS 28 26.154 6.895 -15.432
178 H HIS 29 H HIS 29 23.885 1.059 -11.745
179 HA HIS 29 HA HIS 29 25.841 -0.664 -10.387
180 HB2 HIS 29 HB2 HIS 29 23.911 1.404 -9.330
181 HB3 HIS 29 HB3 HIS 29 24.800 0.300 -8.285
182 HD1 HIS 29 HD1 HIS 29 27.534 0.466 -9.823
183 HD2 HIS 29 HD2 HIS 29 25.227 3.713 -8.638
184 HE1 HIS 29 HE1 HIS 29 29.129 2.404 -9.669
185 H LYS 30 H LYS 30 22.612 -0.510 -11.490
186 HA LYS 30 HA LYS 30 20.854 -1.949 -11.382
187 HB2 LYS 30 HB2 LYS 30 23.191 -3.702 -10.762
188 HB3 LYS 30 HB3 LYS 30 21.572 -4.354 -10.541
189 HG2 LYS 30 HG2 LYS 30 21.220 -3.417 -12.973
190 HG3 LYS 30 HG3 LYS 30 22.978 -3.564 -13.037
191 HD2 LYS 30 HD2 LYS 30 21.160 -5.809 -12.181
192 HD3 LYS 30 HD3 LYS 30 21.683 -5.570 -13.850
193 HE2 LYS 30 HE2 LYS 30 23.951 -5.935 -13.290
194 HE3 LYS 30 HE3 LYS 30 23.623 -5.803 -11.563
195 HZ1 LYS 30 HZ1 LYS 30 22.017 -7.841 -12.370
196 HZ2 LYS 30 HZ2 LYS 30 23.512 -8.011 -11.599
197 HZ3 LYS 30 HZ3 LYS 30 23.418 -8.083 -13.286
198 H TRP 31 H TRP 31 20.486 -0.337 -9.474
199 HA TRP 31 HA TRP 31 19.261 -1.794 -7.389
200 HB2 TRP 31 HB2 TRP 31 20.616 -1.304 -5.513
201 HB3 TRP 31 HB3 TRP 31 21.727 -1.904 -6.741
202 HD1 TRP 31 HD1 TRP 31 22.036 0.840 -8.386
203 HE1 TRP 31 HE1 TRP 31 23.415 2.753 -7.355
204 HE3 TRP 31 HE3 TRP 31 21.832 -0.567 -3.475
205 HZ2 TRP 31 HZ2 TRP 31 24.299 3.559 -4.798
206 HZ3 TRP 31 HZ3 TRP 31 22.971 0.830 -1.800
207 HH2 TRP 31 HH2 TRP 31 24.179 2.849 -2.450
208 H CYS 32 H CYS 32 18.118 -0.422 -5.883
209 HA CYS 32 HA CYS 32 17.047 1.885 -7.099
210 HB2 CYS 32 HB2 CYS 32 16.867 1.004 -4.209
211 HB3 CYS 32 HB3 CYS 32 15.831 2.198 -4.984
212 H LYS 33 H LYS 33 18.584 3.424 -7.534
213 HA LYS 33 HA LYS 33 20.132 4.496 -5.285
214 HB2 LYS 33 HB2 LYS 33 21.358 5.749 -7.101
215 HB3 LYS 33 HB3 LYS 33 21.520 3.998 -7.151
216 HG2 LYS 33 HG2 LYS 33 20.400 3.810 -9.105
217 HG3 LYS 33 HG3 LYS 33 19.329 5.168 -8.751
218 HD2 LYS 33 HD2 LYS 33 20.766 5.772 -10.583
219 HD3 LYS 33 HD3 LYS 33 21.236 6.707 -9.162
220 HE2 LYS 33 HE2 LYS 33 23.206 5.552 -8.888
221 HE3 LYS 33 HE3 LYS 33 22.598 4.110 -9.700
222 HZ1 LYS 33 HZ1 LYS 33 23.622 4.805 -11.518
223 HZ2 LYS 33 HZ2 LYS 33 24.075 6.259 -10.782
224 HZ3 LYS 33 HZ3 LYS 33 22.588 6.143 -11.581
225 H TYR 34 H TYR 34 19.968 6.603 -4.620
226 HA TYR 34 HA TYR 34 17.510 7.903 -4.873
227 HB2 TYR 34 HB2 TYR 34 20.196 8.702 -3.827
228 HB3 TYR 34 HB3 TYR 34 18.949 9.931 -4.007
229 HD1 TYR 34 HD1 TYR 34 16.519 8.815 -3.142
230 HD2 TYR 34 HD2 TYR 34 20.420 8.020 -1.642
231 HE1 TYR 34 HE1 TYR 34 15.547 8.151 -0.982
232 HE2 TYR 34 HE2 TYR 34 19.459 7.353 0.521
233 HH TYR 34 HH TYR 34 16.025 6.978 0.969
234 H GLU 35 H GLU 35 16.669 9.116 -6.428
235 HA GLU 35 HA GLU 35 18.305 9.888 -8.692
236 HB2 GLU 35 HB2 GLU 35 15.393 9.714 -8.118
237 HB3 GLU 35 HB3 GLU 35 15.904 10.866 -9.343
238 HG2 GLU 35 HG2 GLU 35 17.136 8.975 -10.451
239 HG3 GLU 35 HG3 GLU 35 16.318 7.891 -9.326
240 H LEU 36 H LEU 36 19.508 11.662 -8.404
241 HA LEU 36 HA LEU 36 18.445 13.926 -6.907
242 HB2 LEU 36 HB2 LEU 36 21.142 13.177 -7.962
243 HB3 LEU 36 HB3 LEU 36 20.802 14.842 -7.496
244 HG LEU 36 HG LEU 36 20.058 13.752 -5.238
245 HD11 LEU 36 HD11 LEU 36 21.434 11.555 -6.653
246 HD12 LEU 36 HD12 LEU 36 20.189 11.503 -5.405
247 HD13 LEU 36 HD13 LEU 36 21.870 11.803 -4.962
248 HD21 LEU 36 HD21 LEU 36 22.136 14.290 -4.343
249 HD22 LEU 36 HD22 LEU 36 22.071 15.251 -5.821
250 HD23 LEU 36 HD23 LEU 36 23.005 13.754 -5.782
Start of MODEL 15
1 H1 GLY 1 H GLY 1 3.563 1.442 -1.086
2 HA2 GLY 1 HA2 GLY 1 1.338 -0.053 -0.449
3 HA3 GLY 1 HA3 GLY 1 1.350 0.026 -2.205
4 H ALA 2 H ALA 2 3.462 -0.598 -3.247
5 HA ALA 2 HA ALA 2 5.080 -2.460 -1.707
6 HB1 ALA 2 HB1 ALA 2 3.332 -3.933 -2.381
7 HB2 ALA 2 HB2 ALA 2 3.384 -3.331 -4.039
8 HB3 ALA 2 HB3 ALA 2 4.732 -4.272 -3.400
9 H CYS 3 H CYS 3 7.034 -1.649 -2.133
10 HA CYS 3 HA CYS 3 7.955 -1.608 -4.886
11 HB2 CYS 3 HB2 CYS 3 8.948 0.689 -4.584
12 HB3 CYS 3 HB3 CYS 3 7.194 0.653 -4.726
13 H LEU 4 H LEU 4 10.398 -0.612 -4.706
14 HA LEU 4 HA LEU 4 11.674 -2.224 -2.599
15 HB2 LEU 4 HB2 LEU 4 12.765 -1.393 -5.284
16 HB3 LEU 4 HB3 LEU 4 13.607 -2.379 -4.090
17 HG LEU 4 HG LEU 4 11.047 -3.208 -5.451
18 HD11 LEU 4 HD11 LEU 4 12.289 -4.458 -6.993
19 HD12 LEU 4 HD12 LEU 4 13.792 -4.234 -6.099
20 HD13 LEU 4 HD13 LEU 4 13.072 -2.878 -6.967
21 HD21 LEU 4 HD21 LEU 4 11.168 -4.495 -3.552
22 HD22 LEU 4 HD22 LEU 4 12.931 -4.471 -3.514
23 HD23 LEU 4 HD23 LEU 4 12.087 -5.484 -4.686
24 H GLY 5 H GLY 5 12.515 -1.068 -1.001
25 HA2 GLY 5 HA2 GLY 5 12.922 1.739 -1.150
26 HA3 GLY 5 HA3 GLY 5 13.425 0.691 0.168
27 H PHE 6 H PHE 6 15.157 2.529 -0.131
28 HA PHE 6 HA PHE 6 17.057 2.253 -2.209
29 HB2 PHE 6 HB2 PHE 6 16.855 4.302 -0.870
30 HB3 PHE 6 HB3 PHE 6 17.396 3.427 0.559
31 HD1 PHE 6 HD2 PHE 6 18.429 4.653 -2.764
32 HD2 PHE 6 HD1 PHE 6 19.688 3.066 0.979
33 HE1 PHE 6 HE2 PHE 6 20.763 5.195 -3.324
34 HE2 PHE 6 HE1 PHE 6 22.024 3.606 0.426
35 HZ PHE 6 HZ PHE 6 22.564 4.673 -1.727
36 H GLY 7 H GLY 7 18.803 0.972 -2.430
37 HA2 GLY 7 HA2 GLY 7 20.553 -0.432 -1.758
38 HA3 GLY 7 HA3 GLY 7 19.865 -0.478 -0.142
39 H LYS 8 H LYS 8 17.661 -1.046 -2.691
40 HA LYS 8 HA LYS 8 17.590 -3.891 -1.970
41 HB2 LYS 8 HB2 LYS 8 15.507 -2.172 -3.333
42 HB3 LYS 8 HB3 LYS 8 15.310 -3.869 -2.916
43 HG2 LYS 8 HG2 LYS 8 15.816 -1.679 -0.915
44 HG3 LYS 8 HG3 LYS 8 14.221 -2.308 -1.332
45 HD2 LYS 8 HD2 LYS 8 14.509 -4.176 -0.115
46 HD3 LYS 8 HD3 LYS 8 16.189 -4.364 -0.625
47 HE2 LYS 8 HE2 LYS 8 15.199 -2.415 1.454
48 HE3 LYS 8 HE3 LYS 8 15.977 -3.960 1.795
49 HZ1 LYS 8 HZ1 LYS 8 17.702 -2.453 1.944
50 HZ2 LYS 8 HZ2 LYS 8 17.154 -1.513 0.649
51 HZ3 LYS 8 HZ3 LYS 8 17.868 -3.019 0.359
52 H SER 9 H SER 9 17.355 -5.496 -3.597
53 HA SER 9 HA SER 9 18.860 -4.888 -5.989
54 HB2 SER 9 HB2 SER 9 17.673 -7.479 -4.967
55 HB3 SER 9 HB3 SER 9 18.675 -7.341 -6.412
56 HG SER 9 HG SER 9 19.900 -7.935 -4.573
57 H CYS 10 H CYS 10 17.800 -3.918 -7.596
58 HA CYS 10 HA CYS 10 15.133 -4.943 -8.321
59 HB2 CYS 10 HB2 CYS 10 14.762 -2.701 -9.370
60 HB3 CYS 10 HB3 CYS 10 14.952 -2.648 -7.621
61 H ASN 11 H ASN 11 14.669 -4.318 -10.748
62 HA ASN 11 HA ASN 11 16.939 -5.361 -12.302
63 HB2 ASN 11 HB2 ASN 11 14.611 -6.561 -12.143
64 HB3 ASN 11 HB3 ASN 11 14.123 -5.352 -13.327
65 HD21 ASN 11 HD21 ASN 11 14.247 -6.027 -15.329
66 HD22 ASN 11 HD22 ASN 11 15.387 -7.162 -15.959
67 HA PRO 12 HA PRO 12 17.241 -1.473 -14.367
68 HB2 PRO 12 HB2 PRO 12 18.665 -2.296 -16.527
69 HB3 PRO 12 HB3 PRO 12 19.377 -2.114 -14.919
70 HG2 PRO 12 HG2 PRO 12 18.418 -4.593 -16.296
71 HG3 PRO 12 HG3 PRO 12 19.890 -4.343 -15.339
72 HD2 PRO 12 HD2 PRO 12 17.685 -5.548 -14.331
73 HD3 PRO 12 HD3 PRO 12 18.775 -4.563 -13.334
74 H SER 13 H SER 13 16.319 -4.326 -16.280
75 HA SER 13 HA SER 13 15.165 -2.852 -18.412
76 HB2 SER 13 HB2 SER 13 15.924 -5.376 -18.253
77 HB3 SER 13 HB3 SER 13 14.248 -5.627 -17.765
78 HG SER 13 HG SER 13 15.293 -4.973 -20.226
79 H ASN 14 H ASN 14 14.034 -3.818 -15.297
80 HA ASN 14 HA ASN 14 11.445 -2.573 -15.879
81 HB2 ASN 14 HB2 ASN 14 11.506 -5.218 -15.841
82 HB3 ASN 14 HB3 ASN 14 11.483 -4.972 -14.097
83 HD21 ASN 14 HD21 ASN 14 9.443 -6.283 -15.333
84 HD22 ASN 14 HD22 ASN 14 8.012 -5.315 -15.296
85 H ASP 15 H ASP 15 12.996 -0.945 -14.756
86 HA ASP 15 HA ASP 15 13.717 -1.071 -12.103
87 HB2 ASP 15 HB2 ASP 15 13.609 1.383 -12.089
88 HB3 ASP 15 HB3 ASP 15 14.340 0.786 -13.577
89 H GLN 16 H GLN 16 12.563 -1.525 -10.359
90 HA GLN 16 HA GLN 16 9.883 -0.358 -10.091
91 HB2 GLN 16 HB2 GLN 16 10.601 -3.220 -9.430
92 HB3 GLN 16 HB3 GLN 16 9.050 -2.455 -9.108
93 HG2 GLN 16 HG2 GLN 16 9.861 -2.228 -11.889
94 HG3 GLN 16 HG3 GLN 16 9.719 -3.899 -11.346
95 HE21 GLN 16 HE21 GLN 16 7.688 -4.437 -10.189
96 HE22 GLN 16 HE22 GLN 16 6.225 -3.714 -10.754
97 H CYS 17 H CYS 17 11.131 1.176 -8.791
98 HA CYS 17 HA CYS 17 11.756 0.113 -6.114
99 HB2 CYS 17 HB2 CYS 17 12.912 2.487 -7.583
100 HB3 CYS 17 HB3 CYS 17 13.191 2.173 -5.874
101 H CYS 18 H CYS 18 11.772 2.283 -4.578
102 HA CYS 18 HA CYS 18 8.970 3.016 -4.487
103 HB2 CYS 18 HB2 CYS 18 11.267 3.568 -2.600
104 HB3 CYS 18 HB3 CYS 18 9.607 4.077 -2.309
105 H LYS 19 H LYS 19 8.407 4.605 -5.848
106 HA LYS 19 HA LYS 19 10.108 6.704 -6.679
107 HB2 LYS 19 HB2 LYS 19 7.087 6.687 -6.725
108 HB3 LYS 19 HB3 LYS 19 8.156 7.649 -7.737
109 HG2 LYS 19 HG2 LYS 19 8.003 4.642 -7.784
110 HG3 LYS 19 HG3 LYS 19 7.164 5.715 -8.907
111 HD2 LYS 19 HD2 LYS 19 9.406 6.666 -9.521
112 HD3 LYS 19 HD3 LYS 19 10.140 5.381 -8.558
113 HE2 LYS 19 HE2 LYS 19 8.158 4.727 -10.704
114 HE3 LYS 19 HE3 LYS 19 9.841 5.054 -11.116
115 HZ1 LYS 19 HZ1 LYS 19 9.564 2.717 -10.819
116 HZ2 LYS 19 HZ2 LYS 19 8.833 2.927 -9.309
117 HZ3 LYS 19 HZ3 LYS 19 10.471 3.298 -9.514
118 H SER 20 H SER 20 7.779 6.394 -4.074
119 HA SER 20 HA SER 20 7.447 9.058 -3.369
120 HB2 SER 20 HB2 SER 20 6.050 7.576 -2.228
121 HB3 SER 20 HB3 SER 20 7.378 6.495 -1.805
122 HG SER 20 HG SER 20 7.497 7.545 -0.002
123 H SER 21 H SER 21 10.069 6.835 -2.626
124 HA SER 21 HA SER 21 11.413 8.857 -1.006
125 HB2 SER 21 HB2 SER 21 11.261 6.203 -0.631
126 HB3 SER 21 HB3 SER 21 12.735 6.261 -1.598
127 HG SER 21 HG SER 21 12.582 6.663 0.943
128 H SER 22 H SER 22 11.031 8.839 -4.048
129 HA SER 22 HA SER 22 12.205 9.395 -5.920
130 HB2 SER 22 HB2 SER 22 12.881 11.176 -4.069
131 HB3 SER 22 HB3 SER 22 14.466 10.429 -4.265
132 HG SER 22 HG SER 22 12.910 11.821 -6.156
133 H LEU 23 H LEU 23 12.488 6.839 -5.658
134 HA LEU 23 HA LEU 23 15.370 6.252 -5.795
135 HB2 LEU 23 HB2 LEU 23 13.024 4.467 -5.181
136 HB3 LEU 23 HB3 LEU 23 14.661 3.873 -5.454
137 HG LEU 23 HG LEU 23 13.787 5.691 -3.209
138 HD11 LEU 23 HD11 LEU 23 13.862 3.866 -1.790
139 HD12 LEU 23 HD12 LEU 23 14.828 2.904 -2.909
140 HD13 LEU 23 HD13 LEU 23 13.120 3.190 -3.240
141 HD21 LEU 23 HD21 LEU 23 16.344 5.269 -4.358
142 HD22 LEU 23 HD22 LEU 23 16.318 4.473 -2.784
143 HD23 LEU 23 HD23 LEU 23 15.927 6.188 -2.912
144 H ALA 24 H ALA 24 15.993 4.554 -7.365
145 HA ALA 24 HA ALA 24 14.261 3.957 -9.561
146 HB1 ALA 24 HB1 ALA 24 14.828 6.320 -10.042
147 HB2 ALA 24 HB2 ALA 24 16.530 5.861 -10.123
148 HB3 ALA 24 HB3 ALA 24 15.381 5.202 -11.288
149 H CYS 25 H CYS 25 15.179 2.475 -11.040
150 HA CYS 25 HA CYS 25 17.509 1.077 -9.956
151 HB2 CYS 25 HB2 CYS 25 15.195 0.006 -10.600
152 HB3 CYS 25 HB3 CYS 25 15.866 0.026 -12.228
153 H SER 26 H SER 26 19.425 1.547 -10.787
154 HA SER 26 HA SER 26 19.603 2.584 -13.516
155 HB2 SER 26 HB2 SER 26 20.854 3.350 -11.177
156 HB3 SER 26 HB3 SER 26 22.102 2.413 -11.998
157 HG SER 26 HG SER 26 21.563 3.758 -13.888
158 H THR 27 H THR 27 20.755 1.606 -15.128
159 HA THR 27 HA THR 27 21.167 -1.226 -14.880
160 HB THR 27 HB THR 27 22.074 0.361 -17.259
161 HG1 THR 27 HG1 THR 27 19.842 0.168 -17.992
162 HG21 THR 27 HG21 THR 27 22.382 -1.732 -17.984
163 HG22 THR 27 HG22 THR 27 20.625 -1.872 -18.042
164 HG23 THR 27 HG23 THR 27 21.507 -2.412 -16.613
165 H LYS 28 H LYS 28 23.009 1.300 -13.935
166 HA LYS 28 HA LYS 28 25.575 0.206 -14.782
167 HB2 LYS 28 HB2 LYS 28 24.622 2.768 -13.677
168 HB3 LYS 28 HB3 LYS 28 26.203 2.254 -13.103
169 HG2 LYS 28 HG2 LYS 28 27.120 2.283 -15.258
170 HG3 LYS 28 HG3 LYS 28 25.531 2.328 -16.025
171 HD2 LYS 28 HD2 LYS 28 25.463 4.556 -15.933
172 HD3 LYS 28 HD3 LYS 28 25.910 4.564 -14.225
173 HE2 LYS 28 HE2 LYS 28 28.235 4.466 -14.762
174 HE3 LYS 28 HE3 LYS 28 27.887 4.179 -16.466
175 HZ1 LYS 28 HZ1 LYS 28 27.054 6.375 -16.699
176 HZ2 LYS 28 HZ2 LYS 28 28.549 6.497 -15.917
177 HZ3 LYS 28 HZ3 LYS 28 27.116 6.659 -15.032
178 H HIS 29 H HIS 29 23.874 0.963 -11.749
179 HA HIS 29 HA HIS 29 25.765 -0.757 -10.309
180 HB2 HIS 29 HB2 HIS 29 23.750 1.258 -9.294
181 HB3 HIS 29 HB3 HIS 29 24.775 0.266 -8.261
182 HD1 HIS 29 HD1 HIS 29 27.385 0.623 -10.032
183 HD2 HIS 29 HD2 HIS 29 24.927 3.669 -8.638
184 HE1 HIS 29 HE1 HIS 29 28.826 2.684 -9.990
185 H LYS 30 H LYS 30 22.524 -0.595 -11.435
186 HA LYS 30 HA LYS 30 20.763 -2.030 -11.321
187 HB2 LYS 30 HB2 LYS 30 23.097 -3.792 -10.720
188 HB3 LYS 30 HB3 LYS 30 21.478 -4.439 -10.491
189 HG2 LYS 30 HG2 LYS 30 21.121 -3.487 -12.920
190 HG3 LYS 30 HG3 LYS 30 22.877 -3.654 -12.992
191 HD2 LYS 30 HD2 LYS 30 21.105 -5.899 -12.069
192 HD3 LYS 30 HD3 LYS 30 21.464 -5.639 -13.777
193 HE2 LYS 30 HE2 LYS 30 23.565 -5.967 -11.641
194 HE3 LYS 30 HE3 LYS 30 22.955 -7.290 -12.632
195 HZ1 LYS 30 HZ1 LYS 30 24.673 -6.709 -13.936
196 HZ2 LYS 30 HZ2 LYS 30 24.762 -5.131 -13.334
197 HZ3 LYS 30 HZ3 LYS 30 23.610 -5.524 -14.509
198 H TRP 31 H TRP 31 20.408 -0.422 -9.408
199 HA TRP 31 HA TRP 31 19.179 -1.870 -7.326
200 HB2 TRP 31 HB2 TRP 31 20.553 -1.453 -5.458
201 HB3 TRP 31 HB3 TRP 31 21.664 -2.012 -6.705
202 HD1 TRP 31 HD1 TRP 31 22.038 0.735 -8.275
203 HE1 TRP 31 HE1 TRP 31 23.384 2.638 -7.184
204 HE3 TRP 31 HE3 TRP 31 21.666 -0.710 -3.386
205 HZ2 TRP 31 HZ2 TRP 31 24.183 3.422 -4.592
206 HZ3 TRP 31 HZ3 TRP 31 22.751 0.671 -1.662
207 HH2 TRP 31 HH2 TRP 31 23.983 2.694 -2.255
208 H CYS 32 H CYS 32 18.043 -0.501 -5.826
209 HA CYS 32 HA CYS 32 17.022 1.840 -7.011
210 HB2 CYS 32 HB2 CYS 32 16.826 0.931 -4.131
211 HB3 CYS 32 HB3 CYS 32 15.813 2.154 -4.891
212 H LYS 33 H LYS 33 18.532 3.396 -7.420
213 HA LYS 33 HA LYS 33 20.102 4.414 -5.156
214 HB2 LYS 33 HB2 LYS 33 21.375 5.644 -6.959
215 HB3 LYS 33 HB3 LYS 33 21.511 3.891 -6.996
216 HG2 LYS 33 HG2 LYS 33 20.393 3.705 -8.958
217 HG3 LYS 33 HG3 LYS 33 19.373 5.109 -8.639
218 HD2 LYS 33 HD2 LYS 33 20.867 5.619 -10.459
219 HD3 LYS 33 HD3 LYS 33 21.336 6.569 -9.047
220 HE2 LYS 33 HE2 LYS 33 23.134 5.029 -8.563
221 HE3 LYS 33 HE3 LYS 33 22.622 3.969 -9.876
222 HZ1 LYS 33 HZ1 LYS 33 24.134 6.440 -9.974
223 HZ2 LYS 33 HZ2 LYS 33 22.955 6.274 -11.175
224 HZ3 LYS 33 HZ3 LYS 33 24.168 5.106 -11.014
225 H TYR 34 H TYR 34 19.979 6.531 -4.504
226 HA TYR 34 HA TYR 34 17.548 7.876 -4.787
227 HB2 TYR 34 HB2 TYR 34 20.248 8.679 -3.754
228 HB3 TYR 34 HB3 TYR 34 18.963 9.874 -3.885
229 HD1 TYR 34 HD1 TYR 34 16.587 8.722 -2.974
230 HD2 TYR 34 HD2 TYR 34 20.534 7.918 -1.604
231 HE1 TYR 34 HE1 TYR 34 15.679 7.990 -0.808
232 HE2 TYR 34 HE2 TYR 34 19.637 7.182 0.565
233 HH TYR 34 HH TYR 34 16.628 7.859 1.635
234 H GLU 35 H GLU 35 16.746 9.108 -6.348
235 HA GLU 35 HA GLU 35 18.497 9.941 -8.531
236 HB2 GLU 35 HB2 GLU 35 15.616 9.367 -8.234
237 HB3 GLU 35 HB3 GLU 35 16.010 10.693 -9.320
238 HG2 GLU 35 HG2 GLU 35 17.632 8.288 -9.709
239 HG3 GLU 35 HG3 GLU 35 15.910 8.075 -10.024
240 H LEU 36 H LEU 36 19.469 11.837 -8.190
241 HA LEU 36 HA LEU 36 18.107 13.961 -6.745
242 HB2 LEU 36 HB2 LEU 36 20.894 13.571 -7.775
243 HB3 LEU 36 HB3 LEU 36 20.338 15.156 -7.240
244 HG LEU 36 HG LEU 36 20.347 12.691 -5.502
245 HD11 LEU 36 HD11 LEU 36 22.622 13.498 -6.277
246 HD12 LEU 36 HD12 LEU 36 22.362 13.426 -4.535
247 HD13 LEU 36 HD13 LEU 36 22.294 14.976 -5.373
248 HD21 LEU 36 HD21 LEU 36 20.381 14.782 -3.827
249 HD22 LEU 36 HD22 LEU 36 18.893 14.028 -4.400
250 HD23 LEU 36 HD23 LEU 36 19.489 15.499 -5.170
Start of MODEL 16
1 H1 GLY 1 H GLY 1 0.721 -1.191 -1.856
2 HA2 GLY 1 HA2 GLY 1 2.734 0.794 -1.238
3 HA3 GLY 1 HA3 GLY 1 2.064 -0.017 0.170
4 H ALA 2 H ALA 2 3.688 -0.599 -2.922
5 HA ALA 2 HA ALA 2 5.262 -2.696 -1.671
6 HB1 ALA 2 HB1 ALA 2 3.158 -3.215 -3.674
7 HB2 ALA 2 HB2 ALA 2 4.699 -4.037 -3.927
8 HB3 ALA 2 HB3 ALA 2 3.816 -4.263 -2.416
9 H CYS 3 H CYS 3 7.227 -1.884 -2.063
10 HA CYS 3 HA CYS 3 8.131 -1.671 -4.795
11 HB2 CYS 3 HB2 CYS 3 9.046 0.641 -4.467
12 HB3 CYS 3 HB3 CYS 3 7.289 0.566 -4.557
13 H LEU 4 H LEU 4 10.545 -0.596 -4.571
14 HA LEU 4 HA LEU 4 11.856 -2.196 -2.473
15 HB2 LEU 4 HB2 LEU 4 12.925 -1.390 -5.175
16 HB3 LEU 4 HB3 LEU 4 13.779 -2.355 -3.972
17 HG LEU 4 HG LEU 4 11.217 -3.227 -5.300
18 HD11 LEU 4 HD11 LEU 4 13.962 -4.222 -5.987
19 HD12 LEU 4 HD12 LEU 4 13.216 -2.875 -6.847
20 HD13 LEU 4 HD13 LEU 4 12.447 -4.462 -6.858
21 HD21 LEU 4 HD21 LEU 4 11.382 -4.507 -3.403
22 HD22 LEU 4 HD22 LEU 4 13.144 -4.443 -3.378
23 HD23 LEU 4 HD23 LEU 4 12.316 -5.482 -4.538
24 H GLY 5 H GLY 5 12.692 -1.005 -0.898
25 HA2 GLY 5 HA2 GLY 5 13.048 1.802 -1.075
26 HA3 GLY 5 HA3 GLY 5 13.605 0.773 0.236
27 H PHE 6 H PHE 6 15.283 2.657 -0.124
28 HA PHE 6 HA PHE 6 17.143 2.398 -2.240
29 HB2 PHE 6 HB2 PHE 6 16.932 4.465 -0.945
30 HB3 PHE 6 HB3 PHE 6 17.491 3.630 0.501
31 HD1 PHE 6 HD2 PHE 6 18.501 4.749 -2.873
32 HD2 PHE 6 HD1 PHE 6 19.784 3.369 0.943
33 HE1 PHE 6 HE2 PHE 6 20.824 5.317 -3.452
34 HE2 PHE 6 HE1 PHE 6 22.108 3.936 0.371
35 HZ PHE 6 HZ PHE 6 22.631 4.912 -1.829
36 H GLY 7 H GLY 7 18.895 1.137 -2.492
37 HA2 GLY 7 HA2 GLY 7 20.708 -0.196 -1.823
38 HA3 GLY 7 HA3 GLY 7 20.038 -0.254 -0.199
39 H LYS 8 H LYS 8 17.824 -0.895 -2.722
40 HA LYS 8 HA LYS 8 17.843 -3.738 -1.991
41 HB2 LYS 8 HB2 LYS 8 15.692 -2.090 -3.333
42 HB3 LYS 8 HB3 LYS 8 15.551 -3.788 -2.897
43 HG2 LYS 8 HG2 LYS 8 16.044 -1.582 -0.912
44 HG3 LYS 8 HG3 LYS 8 14.446 -2.212 -1.318
45 HD2 LYS 8 HD2 LYS 8 16.553 -4.154 -0.524
46 HD3 LYS 8 HD3 LYS 8 15.841 -3.143 0.736
47 HE2 LYS 8 HE2 LYS 8 13.604 -3.900 0.048
48 HE3 LYS 8 HE3 LYS 8 14.342 -4.939 -1.170
49 HZ1 LYS 8 HZ1 LYS 8 15.392 -5.321 1.485
50 HZ2 LYS 8 HZ2 LYS 8 14.873 -6.464 0.352
51 HZ3 LYS 8 HZ3 LYS 8 13.747 -5.691 1.349
52 H SER 9 H SER 9 17.664 -5.356 -3.600
53 HA SER 9 HA SER 9 19.098 -4.704 -6.022
54 HB2 SER 9 HB2 SER 9 18.205 -7.243 -4.700
55 HB3 SER 9 HB3 SER 9 18.692 -7.269 -6.395
56 HG SER 9 HG SER 9 20.281 -7.442 -4.385
57 H CYS 10 H CYS 10 17.984 -3.801 -7.630
58 HA CYS 10 HA CYS 10 15.340 -4.922 -8.293
59 HB2 CYS 10 HB2 CYS 10 14.868 -2.712 -9.357
60 HB3 CYS 10 HB3 CYS 10 15.106 -2.621 -7.615
61 H ASN 11 H ASN 11 14.814 -4.347 -10.720
62 HA ASN 11 HA ASN 11 17.107 -5.295 -12.305
63 HB2 ASN 11 HB2 ASN 11 15.035 -6.764 -12.113
64 HB3 ASN 11 HB3 ASN 11 14.198 -5.545 -13.070
65 HD21 ASN 11 HD21 ASN 11 14.337 -5.646 -15.208
66 HD22 ASN 11 HD22 ASN 11 15.404 -6.678 -16.093
67 HA PRO 12 HA PRO 12 17.067 -1.444 -14.460
68 HB2 PRO 12 HB2 PRO 12 18.506 -2.209 -16.631
69 HB3 PRO 12 HB3 PRO 12 19.235 -1.933 -15.045
70 HG2 PRO 12 HG2 PRO 12 18.442 -4.512 -16.342
71 HG3 PRO 12 HG3 PRO 12 19.909 -4.126 -15.424
72 HD2 PRO 12 HD2 PRO 12 17.825 -5.470 -14.339
73 HD3 PRO 12 HD3 PRO 12 18.856 -4.381 -13.390
74 H SER 13 H SER 13 16.331 -4.405 -16.286
75 HA SER 13 HA SER 13 15.080 -3.146 -18.469
76 HB2 SER 13 HB2 SER 13 15.842 -5.664 -18.029
77 HB3 SER 13 HB3 SER 13 14.138 -5.841 -17.611
78 HG SER 13 HG SER 13 15.288 -5.604 -20.044
79 H ASN 14 H ASN 14 14.012 -3.778 -15.260
80 HA ASN 14 HA ASN 14 11.447 -2.532 -15.871
81 HB2 ASN 14 HB2 ASN 14 11.352 -5.154 -15.882
82 HB3 ASN 14 HB3 ASN 14 11.411 -4.973 -14.131
83 HD21 ASN 14 HD21 ASN 14 9.468 -5.181 -13.311
84 HD22 ASN 14 HD22 ASN 14 8.009 -4.518 -13.959
85 H ASP 15 H ASP 15 12.921 -0.915 -14.738
86 HA ASP 15 HA ASP 15 13.714 -1.063 -12.107
87 HB2 ASP 15 HB2 ASP 15 13.443 1.417 -12.053
88 HB3 ASP 15 HB3 ASP 15 14.306 0.836 -13.474
89 H GLN 16 H GLN 16 12.632 -1.529 -10.321
90 HA GLN 16 HA GLN 16 9.922 -0.458 -9.980
91 HB2 GLN 16 HB2 GLN 16 10.749 -3.298 -9.355
92 HB3 GLN 16 HB3 GLN 16 9.186 -2.585 -8.981
93 HG2 GLN 16 HG2 GLN 16 9.849 -2.279 -11.775
94 HG3 GLN 16 HG3 GLN 16 9.885 -3.969 -11.275
95 HE21 GLN 16 HE21 GLN 16 7.915 -1.104 -11.560
96 HE22 GLN 16 HE22 GLN 16 6.388 -1.903 -11.446
97 H CYS 17 H CYS 17 11.155 1.111 -8.708
98 HA CYS 17 HA CYS 17 11.875 0.060 -6.049
99 HB2 CYS 17 HB2 CYS 17 12.948 2.452 -7.550
100 HB3 CYS 17 HB3 CYS 17 13.265 2.158 -5.844
101 H CYS 18 H CYS 18 11.875 2.219 -4.506
102 HA CYS 18 HA CYS 18 9.062 2.898 -4.355
103 HB2 CYS 18 HB2 CYS 18 11.390 3.481 -2.516
104 HB3 CYS 18 HB3 CYS 18 9.731 3.972 -2.189
105 H LYS 19 H LYS 19 8.489 4.449 -5.773
106 HA LYS 19 HA LYS 19 10.125 6.602 -6.579
107 HB2 LYS 19 HB2 LYS 19 7.108 6.418 -6.664
108 HB3 LYS 19 HB3 LYS 19 8.110 7.515 -7.606
109 HG2 LYS 19 HG2 LYS 19 8.138 4.511 -7.814
110 HG3 LYS 19 HG3 LYS 19 7.326 5.614 -8.927
111 HD2 LYS 19 HD2 LYS 19 9.595 6.686 -9.296
112 HD3 LYS 19 HD3 LYS 19 10.280 5.302 -8.440
113 HE2 LYS 19 HE2 LYS 19 10.427 4.688 -10.681
114 HE3 LYS 19 HE3 LYS 19 8.966 3.874 -10.125
115 HZ1 LYS 19 HZ1 LYS 19 7.732 5.017 -11.554
116 HZ2 LYS 19 HZ2 LYS 19 9.168 5.529 -12.287
117 HZ3 LYS 19 HZ3 LYS 19 8.424 6.497 -11.116
118 H SER 20 H SER 20 7.853 6.192 -3.954
119 HA SER 20 HA SER 20 7.376 8.839 -3.258
120 HB2 SER 20 HB2 SER 20 6.395 6.657 -2.264
121 HB3 SER 20 HB3 SER 20 7.782 6.704 -1.175
122 HG SER 20 HG SER 20 6.934 9.059 -0.955
123 H SER 21 H SER 21 10.129 6.769 -2.535
124 HA SER 21 HA SER 21 11.387 8.898 -0.978
125 HB2 SER 21 HB2 SER 21 11.353 6.308 -0.429
126 HB3 SER 21 HB3 SER 21 12.742 6.287 -1.515
127 HG SER 21 HG SER 21 13.770 6.835 0.245
128 H SER 22 H SER 22 10.980 8.800 -4.000
129 HA SER 22 HA SER 22 12.108 9.370 -5.895
130 HB2 SER 22 HB2 SER 22 12.794 11.179 -4.080
131 HB3 SER 22 HB3 SER 22 14.385 10.448 -4.289
132 HG SER 22 HG SER 22 12.763 11.475 -6.382
133 H LEU 23 H LEU 23 12.427 6.831 -5.661
134 HA LEU 23 HA LEU 23 15.314 6.274 -5.829
135 HB2 LEU 23 HB2 LEU 23 13.006 4.443 -5.200
136 HB3 LEU 23 HB3 LEU 23 14.664 3.898 -5.451
137 HG LEU 23 HG LEU 23 13.671 5.669 -3.218
138 HD11 LEU 23 HD11 LEU 23 13.213 3.124 -3.254
139 HD12 LEU 23 HD12 LEU 23 13.896 3.854 -1.801
140 HD13 LEU 23 HD13 LEU 23 14.939 2.977 -2.921
141 HD21 LEU 23 HD21 LEU 23 16.448 4.635 -3.785
142 HD22 LEU 23 HD22 LEU 23 15.948 5.523 -2.345
143 HD23 LEU 23 HD23 LEU 23 15.919 6.312 -3.923
144 H ALA 24 H ALA 24 15.941 4.596 -7.410
145 HA ALA 24 HA ALA 24 14.181 3.960 -9.573
146 HB1 ALA 24 HB1 ALA 24 14.485 6.121 -10.385
147 HB2 ALA 24 HB2 ALA 24 16.183 6.165 -9.908
148 HB3 ALA 24 HB3 ALA 24 15.677 5.174 -11.276
149 H CYS 25 H CYS 25 15.099 2.490 -11.063
150 HA CYS 25 HA CYS 25 17.468 1.134 -10.016
151 HB2 CYS 25 HB2 CYS 25 15.168 0.023 -10.635
152 HB3 CYS 25 HB3 CYS 25 15.813 0.066 -12.272
153 H SER 26 H SER 26 19.354 1.725 -10.847
154 HA SER 26 HA SER 26 19.487 2.741 -13.581
155 HB2 SER 26 HB2 SER 26 20.718 3.573 -11.278
156 HB3 SER 26 HB3 SER 26 21.987 2.612 -12.036
157 HG SER 26 HG SER 26 21.571 3.883 -13.965
158 H THR 27 H THR 27 20.621 1.784 -15.211
159 HA THR 27 HA THR 27 21.120 -1.034 -14.964
160 HB THR 27 HB THR 27 22.063 0.367 -17.395
161 HG1 THR 27 HG1 THR 27 20.052 0.975 -18.048
162 HG21 THR 27 HG21 THR 27 21.144 -2.218 -16.616
163 HG22 THR 27 HG22 THR 27 21.821 -1.709 -18.163
164 HG23 THR 27 HG23 THR 27 20.083 -1.603 -17.883
165 H LYS 28 H LYS 28 22.908 1.550 -14.068
166 HA LYS 28 HA LYS 28 25.487 0.523 -14.963
167 HB2 LYS 28 HB2 LYS 28 25.025 2.966 -14.997
168 HB3 LYS 28 HB3 LYS 28 24.869 2.934 -13.245
169 HG2 LYS 28 HG2 LYS 28 27.032 3.673 -13.550
170 HG3 LYS 28 HG3 LYS 28 27.254 1.942 -13.284
171 HD2 LYS 28 HD2 LYS 28 28.262 1.757 -15.256
172 HD3 LYS 28 HD3 LYS 28 26.823 2.382 -16.065
173 HE2 LYS 28 HE2 LYS 28 27.599 4.595 -15.970
174 HE3 LYS 28 HE3 LYS 28 28.817 4.206 -14.756
175 HZ1 LYS 28 HZ1 LYS 28 29.468 2.612 -16.860
176 HZ2 LYS 28 HZ2 LYS 28 30.219 4.074 -16.461
177 HZ3 LYS 28 HZ3 LYS 28 28.979 4.047 -17.611
178 H HIS 29 H HIS 29 23.824 1.250 -11.901
179 HA HIS 29 HA HIS 29 25.796 -0.398 -10.486
180 HB2 HIS 29 HB2 HIS 29 23.728 1.545 -9.439
181 HB3 HIS 29 HB3 HIS 29 24.821 0.605 -8.427
182 HD1 HIS 29 HD1 HIS 29 27.368 1.059 -10.263
183 HD2 HIS 29 HD2 HIS 29 24.815 4.010 -8.835
184 HE1 HIS 29 HE1 HIS 29 28.719 3.180 -10.273
185 H LYS 30 H LYS 30 22.533 -0.355 -11.557
186 HA LYS 30 HA LYS 30 20.824 -1.847 -11.404
187 HB2 LYS 30 HB2 LYS 30 23.229 -3.522 -10.835
188 HB3 LYS 30 HB3 LYS 30 21.639 -4.224 -10.565
189 HG2 LYS 30 HG2 LYS 30 21.216 -3.278 -13.002
190 HG3 LYS 30 HG3 LYS 30 22.971 -3.449 -13.097
191 HD2 LYS 30 HD2 LYS 30 21.230 -5.685 -12.104
192 HD3 LYS 30 HD3 LYS 30 21.517 -5.438 -13.828
193 HE2 LYS 30 HE2 LYS 30 23.207 -6.903 -13.325
194 HE3 LYS 30 HE3 LYS 30 24.030 -5.363 -13.076
195 HZ1 LYS 30 HZ1 LYS 30 23.968 -7.347 -11.282
196 HZ2 LYS 30 HZ2 LYS 30 22.665 -6.410 -10.750
197 HZ3 LYS 30 HZ3 LYS 30 24.203 -5.720 -10.884
198 H TRP 31 H TRP 31 20.451 -0.237 -9.494
199 HA TRP 31 HA TRP 31 19.304 -1.711 -7.383
200 HB2 TRP 31 HB2 TRP 31 20.696 -1.245 -5.543
201 HB3 TRP 31 HB3 TRP 31 21.807 -1.760 -6.808
202 HD1 TRP 31 HD1 TRP 31 22.069 0.987 -8.386
203 HE1 TRP 31 HE1 TRP 31 23.350 2.945 -7.314
204 HE3 TRP 31 HE3 TRP 31 21.783 -0.441 -3.485
205 HZ2 TRP 31 HZ2 TRP 31 24.135 3.775 -4.733
206 HZ3 TRP 31 HZ3 TRP 31 22.826 0.991 -1.777
207 HH2 TRP 31 HH2 TRP 31 23.977 3.055 -2.390
208 H CYS 32 H CYS 32 18.172 -0.359 -5.851
209 HA CYS 32 HA CYS 32 17.052 1.941 -7.041
210 HB2 CYS 32 HB2 CYS 32 16.919 1.053 -4.151
211 HB3 CYS 32 HB3 CYS 32 15.847 2.218 -4.922
212 H LYS 33 H LYS 33 18.547 3.514 -7.481
213 HA LYS 33 HA LYS 33 20.114 4.585 -5.244
214 HB2 LYS 33 HB2 LYS 33 21.292 5.875 -7.076
215 HB3 LYS 33 HB3 LYS 33 21.496 4.128 -7.118
216 HG2 LYS 33 HG2 LYS 33 20.285 3.890 -9.034
217 HG3 LYS 33 HG3 LYS 33 19.289 5.311 -8.712
218 HD2 LYS 33 HD2 LYS 33 20.749 5.763 -10.581
219 HD3 LYS 33 HD3 LYS 33 21.247 6.745 -9.201
220 HE2 LYS 33 HE2 LYS 33 23.103 5.350 -8.759
221 HE3 LYS 33 HE3 LYS 33 22.504 4.088 -9.834
222 HZ1 LYS 33 HZ1 LYS 33 22.863 6.581 -11.184
223 HZ2 LYS 33 HZ2 LYS 33 23.465 5.049 -11.575
224 HZ3 LYS 33 HZ3 LYS 33 24.302 6.033 -10.483
225 H TYR 34 H TYR 34 19.937 6.690 -4.568
226 HA TYR 34 HA TYR 34 17.457 7.957 -4.779
227 HB2 TYR 34 HB2 TYR 34 20.152 8.816 -3.788
228 HB3 TYR 34 HB3 TYR 34 18.852 9.996 -3.906
229 HD1 TYR 34 HD1 TYR 34 16.495 8.708 -3.008
230 HD2 TYR 34 HD2 TYR 34 20.474 8.169 -1.601
231 HE1 TYR 34 HE1 TYR 34 15.618 7.968 -0.832
232 HE2 TYR 34 HE2 TYR 34 19.609 7.426 0.578
233 HH TYR 34 HH TYR 34 17.039 6.278 1.244
234 H GLU 35 H GLU 35 16.579 9.184 -6.304
235 HA GLU 35 HA GLU 35 18.121 9.929 -8.626
236 HB2 GLU 35 HB2 GLU 35 15.241 9.918 -7.879
237 HB3 GLU 35 HB3 GLU 35 15.747 11.030 -9.143
238 HG2 GLU 35 HG2 GLU 35 16.605 9.220 -10.467
239 HG3 GLU 35 HG3 GLU 35 16.283 8.070 -9.171
240 H LEU 36 H LEU 36 19.436 11.633 -8.393
241 HA LEU 36 HA LEU 36 18.354 14.055 -7.113
242 HB2 LEU 36 HB2 LEU 36 21.208 13.146 -7.449
243 HB3 LEU 36 HB3 LEU 36 20.729 14.714 -6.800
244 HG LEU 36 HG LEU 36 20.184 12.019 -5.557
245 HD11 LEU 36 HD11 LEU 36 21.881 12.428 -4.083
246 HD12 LEU 36 HD12 LEU 36 21.778 14.178 -4.275
247 HD13 LEU 36 HD13 LEU 36 22.536 13.197 -5.529
248 HD21 LEU 36 HD21 LEU 36 18.526 13.003 -4.457
249 HD22 LEU 36 HD22 LEU 36 18.877 14.554 -5.221
250 HD23 LEU 36 HD23 LEU 36 19.710 14.094 -3.735
Start of MODEL 17
1 H1 GLY 1 H GLY 1 1.026 0.582 0.651
2 HA2 GLY 1 HA2 GLY 1 1.519 0.020 -1.556
3 HA3 GLY 1 HA3 GLY 1 2.888 1.062 -1.196
4 H ALA 2 H ALA 2 3.458 -0.610 -3.078
5 HA ALA 2 HA ALA 2 5.120 -2.649 -1.775
6 HB1 ALA 2 HB1 ALA 2 3.216 -3.866 -2.588
7 HB2 ALA 2 HB2 ALA 2 3.358 -3.112 -4.177
8 HB3 ALA 2 HB3 ALA 2 4.602 -4.230 -3.617
9 H CYS 3 H CYS 3 7.057 -1.684 -2.109
10 HA CYS 3 HA CYS 3 8.014 -1.554 -4.845
11 HB2 CYS 3 HB2 CYS 3 8.958 0.747 -4.493
12 HB3 CYS 3 HB3 CYS 3 7.203 0.692 -4.623
13 H LEU 4 H LEU 4 10.438 -0.517 -4.599
14 HA LEU 4 HA LEU 4 11.705 -2.125 -2.481
15 HB2 LEU 4 HB2 LEU 4 12.813 -1.353 -5.176
16 HB3 LEU 4 HB3 LEU 4 13.638 -2.326 -3.960
17 HG LEU 4 HG LEU 4 11.079 -3.158 -5.319
18 HD11 LEU 4 HD11 LEU 4 13.806 -4.234 -5.945
19 HD12 LEU 4 HD12 LEU 4 13.130 -2.862 -6.821
20 HD13 LEU 4 HD13 LEU 4 12.305 -4.420 -6.851
21 HD21 LEU 4 HD21 LEU 4 12.937 -4.389 -3.342
22 HD22 LEU 4 HD22 LEU 4 12.129 -5.429 -4.516
23 HD23 LEU 4 HD23 LEU 4 11.175 -4.432 -3.416
24 H GLY 5 H GLY 5 12.580 -0.954 -0.913
25 HA2 GLY 5 HA2 GLY 5 12.964 1.851 -1.093
26 HA3 GLY 5 HA3 GLY 5 13.509 0.817 0.219
27 H PHE 6 H PHE 6 15.214 2.673 -0.134
28 HA PHE 6 HA PHE 6 17.069 2.393 -2.254
29 HB2 PHE 6 HB2 PHE 6 16.898 4.465 -0.978
30 HB3 PHE 6 HB3 PHE 6 17.410 3.630 0.485
31 HD1 PHE 6 HD2 PHE 6 18.513 4.695 -2.878
32 HD2 PHE 6 HD1 PHE 6 19.686 3.328 0.979
33 HE1 PHE 6 HE2 PHE 6 20.859 5.209 -3.413
34 HE2 PHE 6 HE1 PHE 6 22.034 3.841 0.451
35 HZ PHE 6 HZ PHE 6 22.623 4.781 -1.748
36 H GLY 7 H GLY 7 18.778 1.084 -2.516
37 HA2 GLY 7 HA2 GLY 7 20.581 -0.267 -1.845
38 HA3 GLY 7 HA3 GLY 7 19.916 -0.310 -0.220
39 H LYS 8 H LYS 8 17.683 -0.924 -2.732
40 HA LYS 8 HA LYS 8 17.651 -3.762 -1.985
41 HB2 LYS 8 HB2 LYS 8 15.544 -2.079 -3.354
42 HB3 LYS 8 HB3 LYS 8 15.366 -3.775 -2.921
43 HG2 LYS 8 HG2 LYS 8 15.908 -1.603 -0.913
44 HG3 LYS 8 HG3 LYS 8 14.287 -2.142 -1.358
45 HD2 LYS 8 HD2 LYS 8 14.568 -3.566 0.369
46 HD3 LYS 8 HD3 LYS 8 15.464 -4.515 -0.820
47 HE2 LYS 8 HE2 LYS 8 17.451 -2.962 -0.003
48 HE3 LYS 8 HE3 LYS 8 16.456 -2.871 1.449
49 HZ1 LYS 8 HZ1 LYS 8 17.517 -4.748 1.992
50 HZ2 LYS 8 HZ2 LYS 8 17.991 -5.082 0.404
51 HZ3 LYS 8 HZ3 LYS 8 16.439 -5.503 0.930
52 H SER 9 H SER 9 17.439 -5.389 -3.587
53 HA SER 9 HA SER 9 18.918 -4.793 -5.997
54 HB2 SER 9 HB2 SER 9 17.804 -7.363 -4.860
55 HB3 SER 9 HB3 SER 9 18.674 -7.279 -6.392
56 HG SER 9 HG SER 9 19.655 -6.601 -3.818
57 H CYS 10 H CYS 10 17.838 -3.852 -7.609
58 HA CYS 10 HA CYS 10 15.179 -4.915 -8.307
59 HB2 CYS 10 HB2 CYS 10 14.769 -2.694 -9.373
60 HB3 CYS 10 HB3 CYS 10 14.988 -2.611 -7.628
61 H ASN 11 H ASN 11 14.695 -4.324 -10.739
62 HA ASN 11 HA ASN 11 16.989 -5.310 -12.299
63 HB2 ASN 11 HB2 ASN 11 14.892 -6.751 -12.122
64 HB3 ASN 11 HB3 ASN 11 14.088 -5.527 -13.099
65 HD21 ASN 11 HD21 ASN 11 14.258 -5.645 -15.235
66 HD22 ASN 11 HD22 ASN 11 15.324 -6.697 -16.096
67 HA PRO 12 HA PRO 12 17.014 -1.464 -14.462
68 HB2 PRO 12 HB2 PRO 12 18.459 -2.250 -16.621
69 HB3 PRO 12 HB3 PRO 12 19.180 -1.981 -15.030
70 HG2 PRO 12 HG2 PRO 12 18.364 -4.551 -16.329
71 HG3 PRO 12 HG3 PRO 12 19.829 -4.183 -15.402
72 HD2 PRO 12 HD2 PRO 12 17.719 -5.499 -14.330
73 HD3 PRO 12 HD3 PRO 12 18.758 -4.422 -13.375
74 H SER 13 H SER 13 16.252 -4.418 -16.288
75 HA SER 13 HA SER 13 15.029 -3.138 -18.477
76 HB2 SER 13 HB2 SER 13 15.728 -5.708 -17.924
77 HB3 SER 13 HB3 SER 13 13.976 -5.798 -17.741
78 HG SER 13 HG SER 13 14.115 -6.042 -19.846
79 H ASN 14 H ASN 14 13.940 -3.774 -15.278
80 HA ASN 14 HA ASN 14 11.380 -2.525 -15.904
81 HB2 ASN 14 HB2 ASN 14 11.285 -5.147 -15.898
82 HB3 ASN 14 HB3 ASN 14 11.337 -4.953 -14.148
83 HD21 ASN 14 HD21 ASN 14 9.222 -5.942 -15.948
84 HD22 ASN 14 HD22 ASN 14 7.831 -4.979 -15.596
85 H ASP 15 H ASP 15 12.854 -0.902 -14.777
86 HA ASP 15 HA ASP 15 13.636 -1.033 -12.142
87 HB2 ASP 15 HB2 ASP 15 13.286 1.470 -12.115
88 HB3 ASP 15 HB3 ASP 15 14.271 0.863 -13.443
89 H GLN 16 H GLN 16 12.552 -1.475 -10.351
90 HA GLN 16 HA GLN 16 9.845 -0.395 -10.022
91 HB2 GLN 16 HB2 GLN 16 10.640 -3.240 -9.376
92 HB3 GLN 16 HB3 GLN 16 9.074 -2.510 -9.047
93 HG2 GLN 16 HG2 GLN 16 9.519 -2.093 -11.768
94 HG3 GLN 16 HG3 GLN 16 10.054 -3.743 -11.450
95 HE21 GLN 16 HE21 GLN 16 8.362 -4.664 -12.574
96 HE22 GLN 16 HE22 GLN 16 6.737 -4.651 -11.989
97 H CYS 17 H CYS 17 11.088 1.161 -8.743
98 HA CYS 17 HA CYS 17 11.791 0.099 -6.085
99 HB2 CYS 17 HB2 CYS 17 12.888 2.490 -7.572
100 HB3 CYS 17 HB3 CYS 17 13.205 2.177 -5.869
101 H CYS 18 H CYS 18 11.810 2.263 -4.542
102 HA CYS 18 HA CYS 18 9.002 2.969 -4.402
103 HB2 CYS 18 HB2 CYS 18 11.329 3.487 -2.546
104 HB3 CYS 18 HB3 CYS 18 9.688 4.041 -2.229
105 H LYS 19 H LYS 19 8.463 4.532 -5.823
106 HA LYS 19 HA LYS 19 10.132 6.670 -6.600
107 HB2 LYS 19 HB2 LYS 19 7.114 6.528 -6.718
108 HB3 LYS 19 HB3 LYS 19 8.143 7.609 -7.649
109 HG2 LYS 19 HG2 LYS 19 8.103 4.605 -7.860
110 HG3 LYS 19 HG3 LYS 19 7.355 5.734 -8.991
111 HD2 LYS 19 HD2 LYS 19 9.640 6.725 -9.347
112 HD3 LYS 19 HD3 LYS 19 10.291 5.379 -8.409
113 HE2 LYS 19 HE2 LYS 19 9.338 3.800 -10.012
114 HE3 LYS 19 HE3 LYS 19 8.667 5.140 -10.941
115 HZ1 LYS 19 HZ1 LYS 19 10.766 4.267 -11.854
116 HZ2 LYS 19 HZ2 LYS 19 11.565 4.736 -10.439
117 HZ3 LYS 19 HZ3 LYS 19 10.866 5.905 -11.442
118 H SER 20 H SER 20 7.810 6.280 -4.012
119 HA SER 20 HA SER 20 7.361 8.926 -3.305
120 HB2 SER 20 HB2 SER 20 6.449 6.639 -2.325
121 HB3 SER 20 HB3 SER 20 7.725 6.903 -1.136
122 HG SER 20 HG SER 20 5.384 8.340 -1.592
123 H SER 21 H SER 21 10.092 6.831 -2.591
124 HA SER 21 HA SER 21 11.353 8.937 -1.000
125 HB2 SER 21 HB2 SER 21 11.280 6.389 -0.395
126 HB3 SER 21 HB3 SER 21 12.621 6.271 -1.535
127 HG SER 21 HG SER 21 12.530 7.390 0.985
128 H SER 22 H SER 22 10.981 8.864 -4.020
129 HA SER 22 HA SER 22 12.140 9.410 -5.904
130 HB2 SER 22 HB2 SER 22 13.704 10.687 -3.695
131 HB3 SER 22 HB3 SER 22 14.353 10.731 -5.334
132 HG SER 22 HG SER 22 12.420 11.732 -5.999
133 H LEU 23 H LEU 23 12.427 6.888 -5.738
134 HA LEU 23 HA LEU 23 15.311 6.297 -5.856
135 HB2 LEU 23 HB2 LEU 23 12.988 4.488 -5.222
136 HB3 LEU 23 HB3 LEU 23 14.641 3.928 -5.467
137 HG LEU 23 HG LEU 23 13.664 5.722 -3.246
138 HD11 LEU 23 HD11 LEU 23 13.866 3.912 -1.817
139 HD12 LEU 23 HD12 LEU 23 14.891 3.012 -2.935
140 HD13 LEU 23 HD13 LEU 23 13.167 3.186 -3.265
141 HD21 LEU 23 HD21 LEU 23 15.918 6.337 -3.940
142 HD22 LEU 23 HD22 LEU 23 16.428 4.653 -3.814
143 HD23 LEU 23 HD23 LEU 23 15.941 5.538 -2.367
144 H ALA 24 H ALA 24 15.924 4.599 -7.424
145 HA ALA 24 HA ALA 24 14.164 3.971 -9.589
146 HB1 ALA 24 HB1 ALA 24 14.969 5.313 -11.290
147 HB2 ALA 24 HB2 ALA 24 14.936 6.427 -9.923
148 HB3 ALA 24 HB3 ALA 24 16.459 5.694 -10.427
149 H CYS 25 H CYS 25 15.068 2.481 -11.066
150 HA CYS 25 HA CYS 25 17.417 1.103 -10.004
151 HB2 CYS 25 HB2 CYS 25 15.111 0.014 -10.627
152 HB3 CYS 25 HB3 CYS 25 15.757 0.049 -12.264
153 H SER 26 H SER 26 19.315 1.667 -10.827
154 HA SER 26 HA SER 26 19.469 2.640 -13.581
155 HB2 SER 26 HB2 SER 26 20.667 3.530 -11.269
156 HB3 SER 26 HB3 SER 26 21.957 2.593 -12.024
157 HG SER 26 HG SER 26 21.152 3.889 -14.000
158 H THR 27 H THR 27 20.652 1.660 -15.165
159 HA THR 27 HA THR 27 21.174 -1.146 -14.840
160 HB THR 27 HB THR 27 22.143 0.232 -17.281
161 HG1 THR 27 HG1 THR 27 19.726 0.120 -17.887
162 HG21 THR 27 HG21 THR 27 21.321 -2.371 -16.476
163 HG22 THR 27 HG22 THR 27 21.980 -1.859 -18.030
164 HG23 THR 27 HG23 THR 27 20.238 -1.823 -17.755
165 H LYS 28 H LYS 28 22.917 1.474 -13.963
166 HA LYS 28 HA LYS 28 25.525 0.509 -14.811
167 HB2 LYS 28 HB2 LYS 28 24.835 2.976 -14.651
168 HB3 LYS 28 HB3 LYS 28 24.999 2.786 -12.910
169 HG2 LYS 28 HG2 LYS 28 27.259 2.694 -12.992
170 HG3 LYS 28 HG3 LYS 28 27.281 1.902 -14.569
171 HD2 LYS 28 HD2 LYS 28 26.226 4.344 -15.181
172 HD3 LYS 28 HD3 LYS 28 27.354 4.752 -13.886
173 HE2 LYS 28 HE2 LYS 28 29.099 3.447 -15.136
174 HE3 LYS 28 HE3 LYS 28 27.957 3.331 -16.473
175 HZ1 LYS 28 HZ1 LYS 28 27.978 5.666 -16.749
176 HZ2 LYS 28 HZ2 LYS 28 29.596 5.188 -16.632
177 HZ3 LYS 28 HZ3 LYS 28 28.831 5.913 -15.309
178 H HIS 29 H HIS 29 23.799 1.082 -11.752
179 HA HIS 29 HA HIS 29 25.761 -0.632 -10.392
180 HB2 HIS 29 HB2 HIS 29 23.791 1.383 -9.297
181 HB3 HIS 29 HB3 HIS 29 24.794 0.340 -8.292
182 HD1 HIS 29 HD1 HIS 29 27.384 0.693 -10.137
183 HD2 HIS 29 HD2 HIS 29 25.053 3.727 -8.516
184 HE1 HIS 29 HE1 HIS 29 28.882 2.710 -10.034
185 H LYS 30 H LYS 30 22.522 -0.490 -11.479
186 HA LYS 30 HA LYS 30 20.770 -1.935 -11.358
187 HB2 LYS 30 HB2 LYS 30 23.119 -3.677 -10.759
188 HB3 LYS 30 HB3 LYS 30 21.508 -4.337 -10.513
189 HG2 LYS 30 HG2 LYS 30 21.145 -3.373 -12.953
190 HG3 LYS 30 HG3 LYS 30 22.895 -3.593 -13.024
191 HD2 LYS 30 HD2 LYS 30 21.005 -5.760 -12.130
192 HD3 LYS 30 HD3 LYS 30 21.495 -5.547 -13.813
193 HE2 LYS 30 HE2 LYS 30 23.547 -5.760 -11.642
194 HE3 LYS 30 HE3 LYS 30 22.796 -7.210 -12.308
195 HZ1 LYS 30 HZ1 LYS 30 24.766 -5.461 -13.473
196 HZ2 LYS 30 HZ2 LYS 30 23.494 -5.838 -14.522
197 HZ3 LYS 30 HZ3 LYS 30 24.410 -7.078 -13.825
198 H TRP 31 H TRP 31 20.405 -0.323 -9.452
199 HA TRP 31 HA TRP 31 19.192 -1.776 -7.361
200 HB2 TRP 31 HB2 TRP 31 20.561 -1.316 -5.494
201 HB3 TRP 31 HB3 TRP 31 21.671 -1.889 -6.735
202 HD1 TRP 31 HD1 TRP 31 21.986 0.863 -8.343
203 HE1 TRP 31 HE1 TRP 31 23.343 2.777 -7.285
204 HE3 TRP 31 HE3 TRP 31 21.736 -0.575 -3.443
205 HZ2 TRP 31 HZ2 TRP 31 24.195 3.572 -4.715
206 HZ3 TRP 31 HZ3 TRP 31 22.849 0.817 -1.747
207 HH2 TRP 31 HH2 TRP 31 24.053 2.847 -2.372
208 H CYS 32 H CYS 32 18.065 -0.401 -5.844
209 HA CYS 32 HA CYS 32 17.010 1.921 -7.051
210 HB2 CYS 32 HB2 CYS 32 16.811 1.048 -4.161
211 HB3 CYS 32 HB3 CYS 32 15.766 2.216 -4.965
212 H LYS 33 H LYS 33 18.563 3.451 -7.467
213 HA LYS 33 HA LYS 33 20.106 4.493 -5.200
214 HB2 LYS 33 HB2 LYS 33 21.350 5.751 -7.003
215 HB3 LYS 33 HB3 LYS 33 21.504 4.000 -7.058
216 HG2 LYS 33 HG2 LYS 33 20.277 3.812 -8.982
217 HG3 LYS 33 HG3 LYS 33 19.378 5.302 -8.683
218 HD2 LYS 33 HD2 LYS 33 20.893 5.647 -10.526
219 HD3 LYS 33 HD3 LYS 33 21.447 6.588 -9.140
220 HE2 LYS 33 HE2 LYS 33 23.149 4.981 -8.646
221 HE3 LYS 33 HE3 LYS 33 22.511 3.860 -9.848
222 HZ1 LYS 33 HZ1 LYS 33 23.839 6.465 -10.344
223 HZ2 LYS 33 HZ2 LYS 33 23.030 5.591 -11.545
224 HZ3 LYS 33 HZ3 LYS 33 24.389 4.928 -10.787
225 H TYR 34 H TYR 34 19.998 6.625 -4.562
226 HA TYR 34 HA TYR 34 17.543 7.939 -4.776
227 HB2 TYR 34 HB2 TYR 34 20.263 8.773 -3.825
228 HB3 TYR 34 HB3 TYR 34 18.967 9.959 -3.931
229 HD1 TYR 34 HD1 TYR 34 16.619 8.667 -2.993
230 HD2 TYR 34 HD2 TYR 34 20.618 8.159 -1.634
231 HE1 TYR 34 HE1 TYR 34 15.775 7.946 -0.798
232 HE2 TYR 34 HE2 TYR 34 19.786 7.436 0.565
233 HH TYR 34 HH TYR 34 17.000 6.319 1.199
234 H GLU 35 H GLU 35 16.680 9.163 -6.311
235 HA GLU 35 HA GLU 35 18.260 9.881 -8.630
236 HB2 GLU 35 HB2 GLU 35 15.341 9.928 -7.955
237 HB3 GLU 35 HB3 GLU 35 15.933 10.858 -9.325
238 HG2 GLU 35 HG2 GLU 35 17.049 8.617 -10.021
239 HG3 GLU 35 HG3 GLU 35 15.858 7.903 -8.935
240 H LEU 36 H LEU 36 19.500 11.637 -8.434
241 HA LEU 36 HA LEU 36 18.339 14.032 -7.172
242 HB2 LEU 36 HB2 LEU 36 21.212 13.184 -7.485
243 HB3 LEU 36 HB3 LEU 36 20.712 14.770 -6.902
244 HG LEU 36 HG LEU 36 20.223 12.117 -5.550
245 HD11 LEU 36 HD11 LEU 36 22.151 14.356 -5.146
246 HD12 LEU 36 HD12 LEU 36 22.415 12.614 -5.073
247 HD13 LEU 36 HD13 LEU 36 21.581 13.435 -3.754
248 HD21 LEU 36 HD21 LEU 36 18.362 13.265 -4.885
249 HD22 LEU 36 HD22 LEU 36 19.123 14.843 -5.090
250 HD23 LEU 36 HD23 LEU 36 19.520 13.847 -3.689
Start of MODEL 18
1 H1 GLY 1 H GLY 1 1.081 -1.069 -0.354
2 HA2 GLY 1 HA2 GLY 1 3.099 0.942 -0.958
3 HA3 GLY 1 HA3 GLY 1 3.086 0.339 0.693
4 H ALA 2 H ALA 2 3.661 -0.471 -2.660
5 HA ALA 2 HA ALA 2 5.256 -2.768 -1.761
6 HB1 ALA 2 HB1 ALA 2 3.236 -3.757 -2.558
7 HB2 ALA 2 HB2 ALA 2 3.266 -2.771 -4.021
8 HB3 ALA 2 HB3 ALA 2 4.483 -4.024 -3.777
9 H CYS 3 H CYS 3 7.239 -1.919 -2.126
10 HA CYS 3 HA CYS 3 8.101 -1.638 -4.848
11 HB2 CYS 3 HB2 CYS 3 9.015 0.679 -4.521
12 HB3 CYS 3 HB3 CYS 3 7.259 0.595 -4.615
13 H LEU 4 H LEU 4 10.513 -0.560 -4.654
14 HA LEU 4 HA LEU 4 11.850 -2.158 -2.572
15 HB2 LEU 4 HB2 LEU 4 12.892 -1.321 -5.274
16 HB3 LEU 4 HB3 LEU 4 13.764 -2.288 -4.086
17 HG LEU 4 HG LEU 4 11.205 -3.165 -5.417
18 HD11 LEU 4 HD11 LEU 4 13.102 -2.836 -7.013
19 HD12 LEU 4 HD12 LEU 4 12.511 -4.493 -6.901
20 HD13 LEU 4 HD13 LEU 4 14.008 -4.035 -6.090
21 HD21 LEU 4 HD21 LEU 4 11.359 -4.448 -3.520
22 HD22 LEU 4 HD22 LEU 4 13.121 -4.382 -3.484
23 HD23 LEU 4 HD23 LEU 4 12.300 -5.420 -4.651
24 H GLY 5 H GLY 5 12.686 -0.974 -0.992
25 HA2 GLY 5 HA2 GLY 5 13.025 1.838 -1.154
26 HA3 GLY 5 HA3 GLY 5 13.588 0.805 0.152
27 H PHE 6 H PHE 6 15.273 2.668 -0.165
28 HA PHE 6 HA PHE 6 17.125 2.462 -2.294
29 HB2 PHE 6 HB2 PHE 6 16.901 4.486 -0.909
30 HB3 PHE 6 HB3 PHE 6 17.525 3.602 0.480
31 HD1 PHE 6 HD2 PHE 6 18.392 4.857 -2.888
32 HD2 PHE 6 HD1 PHE 6 19.834 3.365 0.829
33 HE1 PHE 6 HE2 PHE 6 20.684 5.479 -3.531
34 HE2 PHE 6 HE1 PHE 6 22.128 3.986 0.192
35 HZ PHE 6 HZ PHE 6 22.556 5.045 -1.990
36 H GLY 7 H GLY 7 18.908 1.239 -2.569
37 HA2 GLY 7 HA2 GLY 7 20.692 -0.149 -1.976
38 HA3 GLY 7 HA3 GLY 7 20.069 -0.209 -0.333
39 H LYS 8 H LYS 8 17.775 -0.817 -2.791
40 HA LYS 8 HA LYS 8 17.769 -3.657 -2.057
41 HB2 LYS 8 HB2 LYS 8 15.638 -1.966 -3.377
42 HB3 LYS 8 HB3 LYS 8 15.470 -3.670 -2.975
43 HG2 LYS 8 HG2 LYS 8 15.976 -1.484 -0.967
44 HG3 LYS 8 HG3 LYS 8 14.388 -2.152 -1.352
45 HD2 LYS 8 HD2 LYS 8 16.711 -3.797 -0.357
46 HD3 LYS 8 HD3 LYS 8 15.462 -3.122 0.691
47 HE2 LYS 8 HE2 LYS 8 13.851 -4.332 -0.995
48 HE3 LYS 8 HE3 LYS 8 15.280 -5.310 -1.328
49 HZ1 LYS 8 HZ1 LYS 8 15.129 -6.337 0.637
50 HZ2 LYS 8 HZ2 LYS 8 13.528 -5.790 0.649
51 HZ3 LYS 8 HZ3 LYS 8 14.723 -4.926 1.478
52 H SER 9 H SER 9 17.620 -5.287 -3.633
53 HA SER 9 HA SER 9 19.035 -4.682 -6.069
54 HB2 SER 9 HB2 SER 9 18.057 -7.199 -4.755
55 HB3 SER 9 HB3 SER 9 18.587 -7.230 -6.437
56 HG SER 9 HG SER 9 20.368 -7.659 -5.207
57 H CYS 10 H CYS 10 17.930 -3.732 -7.660
58 HA CYS 10 HA CYS 10 15.271 -4.810 -8.339
59 HB2 CYS 10 HB2 CYS 10 14.841 -2.579 -9.389
60 HB3 CYS 10 HB3 CYS 10 15.058 -2.516 -7.643
61 H ASN 11 H ASN 11 14.759 -4.201 -10.761
62 HA ASN 11 HA ASN 11 17.031 -5.189 -12.349
63 HB2 ASN 11 HB2 ASN 11 14.807 -6.514 -12.153
64 HB3 ASN 11 HB3 ASN 11 14.166 -5.297 -13.253
65 HD21 ASN 11 HD21 ASN 11 14.308 -5.742 -15.323
66 HD22 ASN 11 HD22 ASN 11 15.427 -6.834 -16.057
67 HA PRO 12 HA PRO 12 17.151 -1.307 -14.442
68 HB2 PRO 12 HB2 PRO 12 18.574 -2.091 -16.617
69 HB3 PRO 12 HB3 PRO 12 19.303 -1.868 -15.022
70 HG2 PRO 12 HG2 PRO 12 18.420 -4.394 -16.366
71 HG3 PRO 12 HG3 PRO 12 19.896 -4.079 -15.433
72 HD2 PRO 12 HD2 PRO 12 17.754 -5.360 -14.383
73 HD3 PRO 12 HD3 PRO 12 18.821 -4.326 -13.410
74 H SER 13 H SER 13 16.314 -4.208 -16.319
75 HA SER 13 HA SER 13 15.093 -2.824 -18.463
76 HB2 SER 13 HB2 SER 13 15.900 -5.275 -18.367
77 HB3 SER 13 HB3 SER 13 14.336 -5.617 -17.627
78 HG SER 13 HG SER 13 13.800 -5.801 -19.675
79 H ASN 14 H ASN 14 14.007 -3.712 -15.306
80 HA ASN 14 HA ASN 14 11.412 -2.481 -15.880
81 HB2 ASN 14 HB2 ASN 14 11.447 -5.118 -15.848
82 HB3 ASN 14 HB3 ASN 14 11.470 -4.887 -14.102
83 HD21 ASN 14 HD21 ASN 14 9.401 -6.122 -15.578
84 HD22 ASN 14 HD22 ASN 14 7.974 -5.166 -15.387
85 H ASP 15 H ASP 15 12.907 -0.825 -14.777
86 HA ASP 15 HA ASP 15 13.692 -0.934 -12.141
87 HB2 ASP 15 HB2 ASP 15 13.495 1.520 -12.119
88 HB3 ASP 15 HB3 ASP 15 14.235 0.943 -13.610
89 H GLN 16 H GLN 16 12.585 -1.443 -10.381
90 HA GLN 16 HA GLN 16 9.882 -0.347 -10.044
91 HB2 GLN 16 HB2 GLN 16 10.700 -3.195 -9.446
92 HB3 GLN 16 HB3 GLN 16 9.147 -2.480 -9.036
93 HG2 GLN 16 HG2 GLN 16 9.448 -1.996 -11.755
94 HG3 GLN 16 HG3 GLN 16 10.047 -3.636 -11.517
95 HE21 GLN 16 HE21 GLN 16 8.618 -5.089 -10.267
96 HE22 GLN 16 HE22 GLN 16 6.912 -4.946 -10.500
97 H CYS 17 H CYS 17 11.119 1.213 -8.762
98 HA CYS 17 HA CYS 17 11.835 0.151 -6.108
99 HB2 CYS 17 HB2 CYS 17 12.889 2.560 -7.595
100 HB3 CYS 17 HB3 CYS 17 13.206 2.263 -5.889
101 H CYS 18 H CYS 18 11.822 2.309 -4.556
102 HA CYS 18 HA CYS 18 9.002 2.959 -4.395
103 HB2 CYS 18 HB2 CYS 18 11.329 3.549 -2.558
104 HB3 CYS 18 HB3 CYS 18 9.669 4.032 -2.226
105 H LYS 19 H LYS 19 8.382 4.527 -5.762
106 HA LYS 19 HA LYS 19 10.000 6.689 -6.591
107 HB2 LYS 19 HB2 LYS 19 6.982 6.594 -6.608
108 HB3 LYS 19 HB3 LYS 19 8.022 7.563 -7.643
109 HG2 LYS 19 HG2 LYS 19 7.863 4.556 -7.656
110 HG3 LYS 19 HG3 LYS 19 7.085 5.633 -8.817
111 HD2 LYS 19 HD2 LYS 19 8.942 5.487 -10.040
112 HD3 LYS 19 HD3 LYS 19 9.745 6.441 -8.790
113 HE2 LYS 19 HE2 LYS 19 11.095 4.545 -9.041
114 HE3 LYS 19 HE3 LYS 19 10.140 4.218 -7.596
115 HZ1 LYS 19 HZ1 LYS 19 9.286 2.424 -8.544
116 HZ2 LYS 19 HZ2 LYS 19 10.359 2.628 -9.835
117 HZ3 LYS 19 HZ3 LYS 19 8.803 3.286 -9.917
118 H SER 20 H SER 20 7.748 6.267 -3.944
119 HA SER 20 HA SER 20 7.296 8.909 -3.220
120 HB2 SER 20 HB2 SER 20 7.573 6.470 -1.448
121 HB3 SER 20 HB3 SER 20 6.917 8.020 -0.921
122 HG SER 20 HG SER 20 5.108 7.584 -1.910
123 H SER 21 H SER 21 10.049 6.823 -2.557
124 HA SER 21 HA SER 21 11.331 8.924 -0.981
125 HB2 SER 21 HB2 SER 21 11.827 6.001 -1.393
126 HB3 SER 21 HB3 SER 21 13.164 7.029 -0.877
127 HG SER 21 HG SER 21 12.224 6.384 0.981
128 H SER 22 H SER 22 10.888 8.859 -4.004
129 HA SER 22 HA SER 22 11.998 9.432 -5.910
130 HB2 SER 22 HB2 SER 22 13.565 10.756 -3.729
131 HB3 SER 22 HB3 SER 22 14.173 10.825 -5.384
132 HG SER 22 HG SER 22 11.953 11.586 -5.899
133 H LEU 23 H LEU 23 12.371 6.901 -5.674
134 HA LEU 23 HA LEU 23 15.268 6.403 -5.849
135 HB2 LEU 23 HB2 LEU 23 12.995 4.534 -5.206
136 HB3 LEU 23 HB3 LEU 23 14.655 4.009 -5.480
137 HG LEU 23 HG LEU 23 13.695 5.786 -3.237
138 HD11 LEU 23 HD11 LEU 23 13.904 3.970 -1.815
139 HD12 LEU 23 HD12 LEU 23 14.905 3.065 -2.950
140 HD13 LEU 23 HD13 LEU 23 13.178 3.255 -3.254
141 HD21 LEU 23 HD21 LEU 23 16.280 5.482 -4.395
142 HD22 LEU 23 HD22 LEU 23 16.288 4.752 -2.789
143 HD23 LEU 23 HD23 LEU 23 15.801 6.436 -2.991
144 H ALA 24 H ALA 24 15.911 4.710 -7.423
145 HA ALA 24 HA ALA 24 14.160 4.065 -9.590
146 HB1 ALA 24 HB1 ALA 24 16.330 6.096 -10.104
147 HB2 ALA 24 HB2 ALA 24 15.350 5.304 -11.339
148 HB3 ALA 24 HB3 ALA 24 14.592 6.386 -10.171
149 H CYS 25 H CYS 25 15.085 2.592 -11.071
150 HA CYS 25 HA CYS 25 17.464 1.255 -10.020
151 HB2 CYS 25 HB2 CYS 25 15.171 0.124 -10.617
152 HB3 CYS 25 HB3 CYS 25 15.802 0.162 -12.260
153 H SER 26 H SER 26 19.350 1.802 -10.873
154 HA SER 26 HA SER 26 19.460 2.792 -13.625
155 HB2 SER 26 HB2 SER 26 20.679 3.689 -11.328
156 HB3 SER 26 HB3 SER 26 21.967 2.761 -12.097
157 HG SER 26 HG SER 26 20.721 5.104 -12.919
158 H THR 27 H THR 27 20.640 1.828 -15.224
159 HA THR 27 HA THR 27 21.183 -0.975 -14.916
160 HB THR 27 HB THR 27 21.942 0.656 -17.328
161 HG1 THR 27 HG1 THR 27 19.888 1.172 -17.435
162 HG21 THR 27 HG21 THR 27 21.388 -2.208 -16.719
163 HG22 THR 27 HG22 THR 27 22.640 -1.492 -17.734
164 HG23 THR 27 HG23 THR 27 20.981 -1.597 -18.322
165 H LYS 28 H LYS 28 22.915 1.647 -14.036
166 HA LYS 28 HA LYS 28 25.522 0.704 -14.913
167 HB2 LYS 28 HB2 LYS 28 24.573 3.202 -14.462
168 HB3 LYS 28 HB3 LYS 28 25.351 2.879 -12.918
169 HG2 LYS 28 HG2 LYS 28 26.757 2.502 -15.545
170 HG3 LYS 28 HG3 LYS 28 26.750 4.037 -14.674
171 HD2 LYS 28 HD2 LYS 28 28.133 3.273 -13.045
172 HD3 LYS 28 HD3 LYS 28 27.486 1.632 -13.116
173 HE2 LYS 28 HE2 LYS 28 29.525 1.236 -14.038
174 HE3 LYS 28 HE3 LYS 28 28.659 1.697 -15.502
175 HZ1 LYS 28 HZ1 LYS 28 30.944 2.788 -14.848
176 HZ2 LYS 28 HZ2 LYS 28 29.944 3.820 -13.956
177 HZ3 LYS 28 HZ3 LYS 28 29.735 3.677 -15.629
178 H HIS 29 H HIS 29 23.824 1.263 -11.836
179 HA HIS 29 HA HIS 29 25.807 -0.444 -10.498
180 HB2 HIS 29 HB2 HIS 29 23.862 1.600 -9.421
181 HB3 HIS 29 HB3 HIS 29 24.784 0.513 -8.387
182 HD1 HIS 29 HD1 HIS 29 27.479 0.733 -10.023
183 HD2 HIS 29 HD2 HIS 29 25.164 3.918 -8.698
184 HE1 HIS 29 HE1 HIS 29 29.049 2.693 -9.884
185 H LYS 30 H LYS 30 22.563 -0.327 -11.565
186 HA LYS 30 HA LYS 30 20.821 -1.784 -11.434
187 HB2 LYS 30 HB2 LYS 30 23.184 -3.511 -10.839
188 HB3 LYS 30 HB3 LYS 30 21.575 -4.180 -10.600
189 HG2 LYS 30 HG2 LYS 30 21.180 -3.259 -13.026
190 HG3 LYS 30 HG3 LYS 30 22.940 -3.367 -13.114
191 HD2 LYS 30 HD2 LYS 30 21.136 -5.639 -12.287
192 HD3 LYS 30 HD3 LYS 30 21.750 -5.404 -13.925
193 HE2 LYS 30 HE2 LYS 30 24.007 -5.682 -13.191
194 HE3 LYS 30 HE3 LYS 30 23.517 -5.661 -11.498
195 HZ1 LYS 30 HZ1 LYS 30 22.250 -7.721 -11.942
196 HZ2 LYS 30 HZ2 LYS 30 23.918 -7.906 -12.154
197 HZ3 LYS 30 HZ3 LYS 30 22.904 -7.764 -13.501
198 H TRP 31 H TRP 31 20.460 -0.173 -9.523
199 HA TRP 31 HA TRP 31 19.279 -1.644 -7.421
200 HB2 TRP 31 HB2 TRP 31 20.649 -1.122 -5.562
201 HB3 TRP 31 HB3 TRP 31 21.752 -1.716 -6.800
202 HD1 TRP 31 HD1 TRP 31 21.992 1.029 -8.465
203 HE1 TRP 31 HE1 TRP 31 23.364 2.964 -7.465
204 HE3 TRP 31 HE3 TRP 31 21.899 -0.367 -3.548
205 HZ2 TRP 31 HZ2 TRP 31 24.285 3.789 -4.927
206 HZ3 TRP 31 HZ3 TRP 31 23.050 1.049 -1.897
207 HH2 TRP 31 HH2 TRP 31 24.219 3.083 -2.575
208 H CYS 32 H CYS 32 18.156 -0.274 -5.883
209 HA CYS 32 HA CYS 32 17.022 2.005 -7.099
210 HB2 CYS 32 HB2 CYS 32 16.905 1.124 -4.206
211 HB3 CYS 32 HB3 CYS 32 15.847 2.315 -4.954
212 H LYS 33 H LYS 33 18.529 3.564 -7.570
213 HA LYS 33 HA LYS 33 20.094 4.676 -5.351
214 HB2 LYS 33 HB2 LYS 33 21.280 5.928 -7.191
215 HB3 LYS 33 HB3 LYS 33 21.461 4.179 -7.236
216 HG2 LYS 33 HG2 LYS 33 20.294 3.966 -9.166
217 HG3 LYS 33 HG3 LYS 33 19.242 5.338 -8.812
218 HD2 LYS 33 HD2 LYS 33 20.657 5.908 -10.670
219 HD3 LYS 33 HD3 LYS 33 21.159 6.854 -9.266
220 HE2 LYS 33 HE2 LYS 33 23.041 5.445 -8.893
221 HE3 LYS 33 HE3 LYS 33 22.468 4.264 -10.070
222 HZ1 LYS 33 HZ1 LYS 33 23.637 6.930 -10.554
223 HZ2 LYS 33 HZ2 LYS 33 22.671 6.186 -11.725
224 HZ3 LYS 33 HZ3 LYS 33 24.095 5.436 -11.204
225 H TYR 34 H TYR 34 19.964 6.823 -4.757
226 HA TYR 34 HA TYR 34 17.474 8.076 -4.927
227 HB2 TYR 34 HB2 TYR 34 20.200 9.004 -4.083
228 HB3 TYR 34 HB3 TYR 34 18.861 10.144 -4.159
229 HD1 TYR 34 HD1 TYR 34 16.595 8.725 -3.136
230 HD2 TYR 34 HD2 TYR 34 20.653 8.504 -1.876
231 HE1 TYR 34 HE1 TYR 34 15.856 8.011 -0.902
232 HE2 TYR 34 HE2 TYR 34 19.925 7.788 0.361
233 HH TYR 34 HH TYR 34 17.441 8.211 1.710
234 H GLU 35 H GLU 35 16.536 9.202 -6.490
235 HA GLU 35 HA GLU 35 17.982 9.866 -8.887
236 HB2 GLU 35 HB2 GLU 35 15.127 10.006 -8.010
237 HB3 GLU 35 HB3 GLU 35 15.633 10.943 -9.409
238 HG2 GLU 35 HG2 GLU 35 16.643 8.694 -10.222
239 HG3 GLU 35 HG3 GLU 35 15.532 7.984 -9.052
240 H LEU 36 H LEU 36 19.326 11.560 -8.777
241 HA LEU 36 HA LEU 36 18.296 14.188 -8.528
242 HB2 LEU 36 HB2 LEU 36 19.643 14.877 -6.567
243 HB3 LEU 36 HB3 LEU 36 18.323 13.776 -6.176
244 HG LEU 36 HG LEU 36 20.258 11.974 -6.374
245 HD11 LEU 36 HD11 LEU 36 21.648 14.581 -6.018
246 HD12 LEU 36 HD12 LEU 36 22.145 13.149 -6.919
247 HD13 LEU 36 HD13 LEU 36 22.255 13.166 -5.159
248 HD21 LEU 36 HD21 LEU 36 19.802 13.768 -3.992
249 HD22 LEU 36 HD22 LEU 36 20.572 12.182 -3.943
250 HD23 LEU 36 HD23 LEU 36 18.878 12.326 -4.413
Start of MODEL 19
1 H1 GLY 1 H GLY 1 3.410 0.265 1.156
2 HA2 GLY 1 HA2 GLY 1 1.555 -0.281 -0.988
3 HA3 GLY 1 HA3 GLY 1 2.835 0.840 -1.429
4 H ALA 2 H ALA 2 3.522 -0.729 -2.990
5 HA ALA 2 HA ALA 2 5.227 -2.795 -1.782
6 HB1 ALA 2 HB1 ALA 2 3.432 -3.190 -4.172
7 HB2 ALA 2 HB2 ALA 2 4.641 -4.343 -3.609
8 HB3 ALA 2 HB3 ALA 2 3.260 -3.946 -2.588
9 H CYS 3 H CYS 3 7.164 -1.842 -2.144
10 HA CYS 3 HA CYS 3 8.074 -1.687 -4.885
11 HB2 CYS 3 HB2 CYS 3 8.992 0.639 -4.547
12 HB3 CYS 3 HB3 CYS 3 7.241 0.545 -4.705
13 H LEU 4 H LEU 4 10.482 -0.609 -4.685
14 HA LEU 4 HA LEU 4 11.805 -2.189 -2.582
15 HB2 LEU 4 HB2 LEU 4 12.865 -1.348 -5.276
16 HB3 LEU 4 HB3 LEU 4 13.739 -2.299 -4.077
17 HG LEU 4 HG LEU 4 11.205 -3.211 -5.432
18 HD11 LEU 4 HD11 LEU 4 14.032 -4.040 -6.055
19 HD12 LEU 4 HD12 LEU 4 13.105 -2.884 -7.011
20 HD13 LEU 4 HD13 LEU 4 12.556 -4.554 -6.873
21 HD21 LEU 4 HD21 LEU 4 11.352 -4.460 -3.504
22 HD22 LEU 4 HD22 LEU 4 13.115 -4.412 -3.478
23 HD23 LEU 4 HD23 LEU 4 12.277 -5.451 -4.631
24 H GLY 5 H GLY 5 12.764 -1.065 -1.028
25 HA2 GLY 5 HA2 GLY 5 13.035 1.772 -1.161
26 HA3 GLY 5 HA3 GLY 5 13.604 0.734 0.138
27 H PHE 6 H PHE 6 15.274 2.620 -0.183
28 HA PHE 6 HA PHE 6 17.129 2.414 -2.311
29 HB2 PHE 6 HB2 PHE 6 16.893 4.452 -0.959
30 HB3 PHE 6 HB3 PHE 6 17.498 3.591 0.452
31 HD1 PHE 6 HD2 PHE 6 18.420 4.775 -2.929
32 HD2 PHE 6 HD1 PHE 6 19.798 3.387 0.852
33 HE1 PHE 6 HE2 PHE 6 20.720 5.394 -3.544
34 HE2 PHE 6 HE1 PHE 6 22.100 4.005 0.243
35 HZ PHE 6 HZ PHE 6 22.564 5.010 -1.957
36 H GLY 7 H GLY 7 18.904 1.184 -2.581
37 HA2 GLY 7 HA2 GLY 7 20.712 -0.167 -1.958
38 HA3 GLY 7 HA3 GLY 7 20.072 -0.232 -0.323
39 H LYS 8 H LYS 8 17.796 -0.867 -2.783
40 HA LYS 8 HA LYS 8 17.819 -3.706 -2.054
41 HB2 LYS 8 HB2 LYS 8 15.683 -2.044 -3.403
42 HB3 LYS 8 HB3 LYS 8 15.529 -3.746 -2.987
43 HG2 LYS 8 HG2 LYS 8 15.993 -1.539 -0.994
44 HG3 LYS 8 HG3 LYS 8 14.416 -2.227 -1.388
45 HD2 LYS 8 HD2 LYS 8 15.452 -4.484 -0.768
46 HD3 LYS 8 HD3 LYS 8 16.755 -3.544 -0.036
47 HE2 LYS 8 HE2 LYS 8 13.983 -2.780 0.670
48 HE3 LYS 8 HE3 LYS 8 14.573 -4.313 1.309
49 HZ1 LYS 8 HZ1 LYS 8 15.029 -1.830 2.363
50 HZ2 LYS 8 HZ2 LYS 8 16.493 -2.227 1.614
51 HZ3 LYS 8 HZ3 LYS 8 15.833 -3.258 2.782
52 H SER 9 H SER 9 17.463 -5.318 -3.707
53 HA SER 9 HA SER 9 18.974 -4.712 -6.110
54 HB2 SER 9 HB2 SER 9 17.929 -7.276 -4.909
55 HB3 SER 9 HB3 SER 9 18.680 -7.220 -6.504
56 HG SER 9 HG SER 9 20.369 -7.592 -5.224
57 H CYS 10 H CYS 10 17.866 -3.775 -7.706
58 HA CYS 10 HA CYS 10 15.210 -4.862 -8.378
59 HB2 CYS 10 HB2 CYS 10 14.767 -2.639 -9.432
60 HB3 CYS 10 HB3 CYS 10 15.000 -2.563 -7.688
61 H ASN 11 H ASN 11 14.692 -4.268 -10.801
62 HA ASN 11 HA ASN 11 16.965 -5.257 -12.388
63 HB2 ASN 11 HB2 ASN 11 14.791 -6.620 -12.199
64 HB3 ASN 11 HB3 ASN 11 14.077 -5.387 -13.234
65 HD21 ASN 11 HD21 ASN 11 14.222 -5.671 -15.341
66 HD22 ASN 11 HD22 ASN 11 15.308 -6.749 -16.144
67 HA PRO 12 HA PRO 12 17.068 -1.382 -14.499
68 HB2 PRO 12 HB2 PRO 12 18.496 -2.171 -16.669
69 HB3 PRO 12 HB3 PRO 12 19.222 -1.936 -15.075
70 HG2 PRO 12 HG2 PRO 12 18.353 -4.473 -16.406
71 HG3 PRO 12 HG3 PRO 12 19.826 -4.146 -15.475
72 HD2 PRO 12 HD2 PRO 12 17.691 -5.433 -14.419
73 HD3 PRO 12 HD3 PRO 12 18.751 -4.389 -13.451
74 H SER 13 H SER 13 16.245 -4.297 -16.362
75 HA SER 13 HA SER 13 15.035 -2.950 -18.525
76 HB2 SER 13 HB2 SER 13 15.789 -5.453 -18.256
77 HB3 SER 13 HB3 SER 13 14.135 -5.685 -17.691
78 HG SER 13 HG SER 13 13.668 -5.778 -19.733
79 H ASN 14 H ASN 14 13.931 -3.731 -15.349
80 HA ASN 14 HA ASN 14 11.369 -2.453 -15.947
81 HB2 ASN 14 HB2 ASN 14 11.313 -5.082 -15.932
82 HB3 ASN 14 HB3 ASN 14 11.352 -4.874 -14.184
83 HD21 ASN 14 HD21 ASN 14 9.279 -5.794 -14.054
84 HD22 ASN 14 HD22 ASN 14 7.868 -4.886 -14.466
85 H ASP 15 H ASP 15 12.824 -0.811 -14.831
86 HA ASP 15 HA ASP 15 13.637 -0.935 -12.205
87 HB2 ASP 15 HB2 ASP 15 13.384 1.528 -12.160
88 HB3 ASP 15 HB3 ASP 15 14.169 0.961 -13.632
89 H GLN 16 H GLN 16 12.552 -1.469 -10.438
90 HA GLN 16 HA GLN 16 9.842 -0.403 -10.068
91 HB2 GLN 16 HB2 GLN 16 10.695 -3.240 -9.468
92 HB3 GLN 16 HB3 GLN 16 9.130 -2.542 -9.074
93 HG2 GLN 16 HG2 GLN 16 9.489 -2.079 -11.805
94 HG3 GLN 16 HG3 GLN 16 10.038 -3.730 -11.523
95 HE21 GLN 16 HE21 GLN 16 8.578 -5.295 -11.087
96 HE22 GLN 16 HE22 GLN 16 6.870 -5.043 -11.041
97 H CYS 17 H CYS 17 11.067 1.168 -8.792
98 HA CYS 17 HA CYS 17 11.818 0.106 -6.146
99 HB2 CYS 17 HB2 CYS 17 12.847 2.522 -7.640
100 HB3 CYS 17 HB3 CYS 17 13.177 2.227 -5.936
101 H CYS 18 H CYS 18 11.804 2.264 -4.592
102 HA CYS 18 HA CYS 18 8.979 2.916 -4.436
103 HB2 CYS 18 HB2 CYS 18 11.295 3.421 -2.560
104 HB3 CYS 18 HB3 CYS 18 9.646 3.948 -2.237
105 H LYS 19 H LYS 19 8.498 4.466 -5.918
106 HA LYS 19 HA LYS 19 10.119 6.644 -6.621
107 HB2 LYS 19 HB2 LYS 19 7.100 6.552 -6.716
108 HB3 LYS 19 HB3 LYS 19 8.159 7.567 -7.687
109 HG2 LYS 19 HG2 LYS 19 8.010 4.561 -7.813
110 HG3 LYS 19 HG3 LYS 19 7.281 5.683 -8.965
111 HD2 LYS 19 HD2 LYS 19 9.210 5.315 -10.091
112 HD3 LYS 19 HD3 LYS 19 9.813 6.575 -9.011
113 HE2 LYS 19 HE2 LYS 19 11.015 5.105 -7.746
114 HE3 LYS 19 HE3 LYS 19 9.903 3.770 -8.044
115 HZ1 LYS 19 HZ1 LYS 19 10.858 4.082 -10.474
116 HZ2 LYS 19 HZ2 LYS 19 11.623 3.100 -9.329
117 HZ3 LYS 19 HZ3 LYS 19 12.192 4.667 -9.614
118 H SER 20 H SER 20 7.829 6.192 -4.018
119 HA SER 20 HA SER 20 7.351 8.818 -3.264
120 HB2 SER 20 HB2 SER 20 6.846 7.941 -1.043
121 HB3 SER 20 HB3 SER 20 6.214 6.851 -2.276
122 HG SER 20 HG SER 20 7.305 5.397 -1.222
123 H SER 21 H SER 21 10.123 6.756 -2.610
124 HA SER 21 HA SER 21 11.376 8.865 -1.017
125 HB2 SER 21 HB2 SER 21 12.047 5.965 -1.499
126 HB3 SER 21 HB3 SER 21 13.188 7.067 -0.729
127 HG SER 21 HG SER 21 10.533 6.678 0.184
128 H SER 22 H SER 22 10.961 8.820 -4.032
129 HA SER 22 HA SER 22 12.083 9.406 -5.926
130 HB2 SER 22 HB2 SER 22 13.688 10.668 -3.731
131 HB3 SER 22 HB3 SER 22 14.269 10.764 -5.394
132 HG SER 22 HG SER 22 12.633 12.037 -5.914
133 H LEU 23 H LEU 23 12.417 6.850 -5.660
134 HA LEU 23 HA LEU 23 15.304 6.313 -5.865
135 HB2 LEU 23 HB2 LEU 23 13.007 4.468 -5.235
136 HB3 LEU 23 HB3 LEU 23 14.665 3.932 -5.497
137 HG LEU 23 HG LEU 23 13.691 5.700 -3.254
138 HD11 LEU 23 HD11 LEU 23 13.959 3.871 -1.831
139 HD12 LEU 23 HD12 LEU 23 14.890 2.962 -3.021
140 HD13 LEU 23 HD13 LEU 23 13.157 3.196 -3.249
141 HD21 LEU 23 HD21 LEU 23 15.971 5.505 -2.387
142 HD22 LEU 23 HD22 LEU 23 15.940 6.321 -3.951
143 HD23 LEU 23 HD23 LEU 23 16.451 4.635 -3.845
144 H ALA 24 H ALA 24 15.924 4.633 -7.454
145 HA ALA 24 HA ALA 24 14.157 4.011 -9.615
146 HB1 ALA 24 HB1 ALA 24 14.420 6.036 -10.604
147 HB2 ALA 24 HB2 ALA 24 15.985 6.331 -9.843
148 HB3 ALA 24 HB3 ALA 24 15.869 5.252 -11.234
149 H CYS 25 H CYS 25 15.066 2.542 -11.110
150 HA CYS 25 HA CYS 25 17.433 1.176 -10.076
151 HB2 CYS 25 HB2 CYS 25 15.124 0.083 -10.713
152 HB3 CYS 25 HB3 CYS 25 15.789 0.121 -12.343
153 H SER 26 H SER 26 19.331 1.702 -10.916
154 HA SER 26 HA SER 26 19.466 2.763 -13.638
155 HB2 SER 26 HB2 SER 26 20.691 3.595 -11.348
156 HB3 SER 26 HB3 SER 26 21.954 2.593 -12.062
157 HG SER 26 HG SER 26 21.936 3.867 -13.871
158 H THR 27 H THR 27 20.593 1.810 -15.276
159 HA THR 27 HA THR 27 21.067 -1.014 -15.053
160 HB THR 27 HB THR 27 21.966 0.505 -17.456
161 HG1 THR 27 HG1 THR 27 19.927 0.973 -18.077
162 HG21 THR 27 HG21 THR 27 20.241 -1.621 -18.085
163 HG22 THR 27 HG22 THR 27 21.250 -2.189 -16.755
164 HG23 THR 27 HG23 THR 27 21.997 -1.583 -18.233
165 H LYS 28 H LYS 28 22.878 1.546 -14.134
166 HA LYS 28 HA LYS 28 25.448 0.504 -15.036
167 HB2 LYS 28 HB2 LYS 28 24.771 3.010 -14.877
168 HB3 LYS 28 HB3 LYS 28 25.102 2.824 -13.160
169 HG2 LYS 28 HG2 LYS 28 27.183 1.882 -15.040
170 HG3 LYS 28 HG3 LYS 28 26.940 3.625 -14.905
171 HD2 LYS 28 HD2 LYS 28 26.935 2.566 -12.282
172 HD3 LYS 28 HD3 LYS 28 28.314 1.862 -13.129
173 HE2 LYS 28 HE2 LYS 28 27.922 4.742 -13.562
174 HE3 LYS 28 HE3 LYS 28 28.324 4.287 -11.907
175 HZ1 LYS 28 HZ1 LYS 28 29.930 4.061 -14.340
176 HZ2 LYS 28 HZ2 LYS 28 30.130 2.868 -13.158
177 HZ3 LYS 28 HZ3 LYS 28 30.399 4.493 -12.772
178 H HIS 29 H HIS 29 23.792 1.218 -11.967
179 HA HIS 29 HA HIS 29 25.747 -0.464 -10.568
180 HB2 HIS 29 HB2 HIS 29 23.733 1.549 -9.557
181 HB3 HIS 29 HB3 HIS 29 24.690 0.518 -8.497
182 HD1 HIS 29 HD1 HIS 29 27.348 0.832 -10.260
183 HD2 HIS 29 HD2 HIS 29 24.981 3.895 -8.751
184 HE1 HIS 29 HE1 HIS 29 28.854 2.842 -10.126
185 H LYS 30 H LYS 30 22.499 -0.397 -11.662
186 HA LYS 30 HA LYS 30 20.778 -1.878 -11.528
187 HB2 LYS 30 HB2 LYS 30 23.163 -3.571 -10.929
188 HB3 LYS 30 HB3 LYS 30 21.564 -4.261 -10.685
189 HG2 LYS 30 HG2 LYS 30 21.160 -3.345 -13.117
190 HG3 LYS 30 HG3 LYS 30 22.920 -3.448 -13.202
191 HD2 LYS 30 HD2 LYS 30 21.132 -5.724 -12.357
192 HD3 LYS 30 HD3 LYS 30 21.725 -5.491 -14.004
193 HE2 LYS 30 HE2 LYS 30 24.053 -5.518 -13.051
194 HE3 LYS 30 HE3 LYS 30 23.342 -6.015 -11.517
195 HZ1 LYS 30 HZ1 LYS 30 22.695 -7.540 -13.939
196 HZ2 LYS 30 HZ2 LYS 30 22.782 -8.061 -12.333
197 HZ3 LYS 30 HZ3 LYS 30 24.202 -7.778 -13.207
198 H TRP 31 H TRP 31 20.391 -0.267 -9.624
199 HA TRP 31 HA TRP 31 19.221 -1.740 -7.522
200 HB2 TRP 31 HB2 TRP 31 20.587 -1.231 -5.663
201 HB3 TRP 31 HB3 TRP 31 21.701 -1.796 -6.905
202 HD1 TRP 31 HD1 TRP 31 21.949 0.948 -8.542
203 HE1 TRP 31 HE1 TRP 31 23.278 2.897 -7.513
204 HE3 TRP 31 HE3 TRP 31 21.768 -0.451 -3.628
205 HZ2 TRP 31 HZ2 TRP 31 24.137 3.731 -4.956
206 HZ3 TRP 31 HZ3 TRP 31 22.869 0.977 -1.954
207 HH2 TRP 31 HH2 TRP 31 24.029 3.024 -2.606
208 H CYS 32 H CYS 32 18.187 -0.330 -5.900
209 HA CYS 32 HA CYS 32 17.015 1.938 -7.141
210 HB2 CYS 32 HB2 CYS 32 16.898 1.025 -4.259
211 HB3 CYS 32 HB3 CYS 32 15.855 2.246 -4.980
212 H LYS 33 H LYS 33 18.498 3.515 -7.600
213 HA LYS 33 HA LYS 33 20.079 4.605 -5.381
214 HB2 LYS 33 HB2 LYS 33 21.253 5.875 -7.222
215 HB3 LYS 33 HB3 LYS 33 21.444 4.128 -7.268
216 HG2 LYS 33 HG2 LYS 33 20.279 3.909 -9.196
217 HG3 LYS 33 HG3 LYS 33 19.212 5.269 -8.837
218 HD2 LYS 33 HD2 LYS 33 20.628 5.842 -10.703
219 HD3 LYS 33 HD3 LYS 33 21.094 6.812 -9.304
220 HE2 LYS 33 HE2 LYS 33 22.960 5.317 -8.865
221 HE3 LYS 33 HE3 LYS 33 22.473 4.286 -10.211
222 HZ1 LYS 33 HZ1 LYS 33 23.663 5.550 -11.559
223 HZ2 LYS 33 HZ2 LYS 33 24.125 6.542 -10.270
224 HZ3 LYS 33 HZ3 LYS 33 22.733 6.906 -11.159
225 H TYR 34 H TYR 34 19.941 6.742 -4.762
226 HA TYR 34 HA TYR 34 17.451 7.997 -4.925
227 HB2 TYR 34 HB2 TYR 34 20.173 8.897 -4.048
228 HB3 TYR 34 HB3 TYR 34 18.854 10.059 -4.140
229 HD1 TYR 34 HD1 TYR 34 16.550 8.687 -3.151
230 HD2 TYR 34 HD2 TYR 34 20.586 8.371 -1.840
231 HE1 TYR 34 HE1 TYR 34 15.767 7.978 -0.930
232 HE2 TYR 34 HE2 TYR 34 19.814 7.660 0.384
233 HH TYR 34 HH TYR 34 16.583 6.759 1.008
234 H GLU 35 H GLU 35 16.520 9.166 -6.462
235 HA GLU 35 HA GLU 35 17.945 9.823 -8.867
236 HB2 GLU 35 HB2 GLU 35 15.116 10.023 -7.936
237 HB3 GLU 35 HB3 GLU 35 15.615 10.998 -9.311
238 HG2 GLU 35 HG2 GLU 35 16.592 8.678 -10.129
239 HG3 GLU 35 HG3 GLU 35 15.325 8.060 -9.070
240 H LEU 36 H LEU 36 19.351 11.467 -8.764
241 HA LEU 36 HA LEU 36 18.364 14.036 -7.716
242 HB2 LEU 36 HB2 LEU 36 21.235 13.150 -7.599
243 HB3 LEU 36 HB3 LEU 36 20.502 14.554 -6.826
244 HG LEU 36 HG LEU 36 19.825 11.715 -6.080
245 HD11 LEU 36 HD11 LEU 36 22.293 12.697 -5.754
246 HD12 LEU 36 HD12 LEU 36 21.522 11.620 -4.591
247 HD13 LEU 36 HD13 LEU 36 21.524 13.361 -4.312
248 HD21 LEU 36 HD21 LEU 36 18.248 12.681 -4.855
249 HD22 LEU 36 HD22 LEU 36 18.765 14.280 -5.392
250 HD23 LEU 36 HD23 LEU 36 19.501 13.548 -3.965
Start of MODEL 20
1 H1 GLY 1 H GLY 1 0.305 -0.537 -1.019
2 HA2 GLY 1 HA2 GLY 1 2.273 0.538 -1.644
3 HA3 GLY 1 HA3 GLY 1 2.769 0.553 0.041
4 H ALA 2 H ALA 2 3.665 -0.553 -2.849
5 HA ALA 2 HA ALA 2 5.247 -2.696 -1.675
6 HB1 ALA 2 HB1 ALA 2 3.209 -3.105 -3.820
7 HB2 ALA 2 HB2 ALA 2 4.670 -4.093 -3.793
8 HB3 ALA 2 HB3 ALA 2 3.573 -4.102 -2.412
9 H CYS 3 H CYS 3 7.213 -1.887 -2.084
10 HA CYS 3 HA CYS 3 8.083 -1.655 -4.821
11 HB2 CYS 3 HB2 CYS 3 9.004 0.656 -4.498
12 HB3 CYS 3 HB3 CYS 3 7.247 0.582 -4.575
13 H LEU 4 H LEU 4 10.500 -0.589 -4.628
14 HA LEU 4 HA LEU 4 11.833 -2.189 -2.545
15 HB2 LEU 4 HB2 LEU 4 12.877 -1.378 -5.254
16 HB3 LEU 4 HB3 LEU 4 13.737 -2.352 -4.064
17 HG LEU 4 HG LEU 4 11.163 -3.203 -5.381
18 HD11 LEU 4 HD11 LEU 4 12.401 -4.478 -6.921
19 HD12 LEU 4 HD12 LEU 4 13.918 -4.181 -6.074
20 HD13 LEU 4 HD13 LEU 4 13.127 -2.871 -6.951
21 HD21 LEU 4 HD21 LEU 4 11.332 -4.474 -3.471
22 HD22 LEU 4 HD22 LEU 4 13.095 -4.450 -3.478
23 HD23 LEU 4 HD23 LEU 4 12.222 -5.468 -4.624
24 H GLY 5 H GLY 5 12.686 -1.001 -0.977
25 HA2 GLY 5 HA2 GLY 5 13.059 1.810 -1.180
26 HA3 GLY 5 HA3 GLY 5 13.584 0.790 0.151
27 H PHE 6 H PHE 6 15.300 2.634 -0.193
28 HA PHE 6 HA PHE 6 17.180 2.346 -2.284
29 HB2 PHE 6 HB2 PHE 6 16.982 4.407 -0.965
30 HB3 PHE 6 HB3 PHE 6 17.539 3.550 0.469
31 HD1 PHE 6 HD2 PHE 6 18.538 4.759 -2.869
32 HD2 PHE 6 HD1 PHE 6 19.837 3.193 0.869
33 HE1 PHE 6 HE2 PHE 6 20.864 5.306 -3.453
34 HE2 PHE 6 HE1 PHE 6 22.166 3.739 0.292
35 HZ PHE 6 HZ PHE 6 22.682 4.796 -1.872
36 H GLY 7 H GLY 7 18.921 1.064 -2.518
37 HA2 GLY 7 HA2 GLY 7 20.693 -0.316 -1.844
38 HA3 GLY 7 HA3 GLY 7 20.014 -0.359 -0.223
39 H LYS 8 H LYS 8 17.800 -0.956 -2.756
40 HA LYS 8 HA LYS 8 17.760 -3.799 -2.026
41 HB2 LYS 8 HB2 LYS 8 15.645 -2.102 -3.366
42 HB3 LYS 8 HB3 LYS 8 15.468 -3.800 -2.943
43 HG2 LYS 8 HG2 LYS 8 15.980 -1.600 -0.953
44 HG3 LYS 8 HG3 LYS 8 14.385 -2.245 -1.348
45 HD2 LYS 8 HD2 LYS 8 14.834 -3.571 0.438
46 HD3 LYS 8 HD3 LYS 8 15.642 -4.539 -0.798
47 HE2 LYS 8 HE2 LYS 8 17.712 -4.029 -0.032
48 HE3 LYS 8 HE3 LYS 8 17.249 -2.397 0.448
49 HZ1 LYS 8 HZ1 LYS 8 17.797 -4.104 2.261
50 HZ2 LYS 8 HZ2 LYS 8 16.261 -4.738 1.945
51 HZ3 LYS 8 HZ3 LYS 8 16.423 -3.136 2.463
52 H SER 9 H SER 9 17.505 -5.407 -3.652
53 HA SER 9 HA SER 9 18.971 -4.783 -6.068
54 HB2 SER 9 HB2 SER 9 17.944 -7.342 -4.850
55 HB3 SER 9 HB3 SER 9 18.638 -7.300 -6.471
56 HG SER 9 HG SER 9 20.360 -7.686 -5.229
57 H CYS 10 H CYS 10 17.870 -3.846 -7.666
58 HA CYS 10 HA CYS 10 15.207 -4.916 -8.335
59 HB2 CYS 10 HB2 CYS 10 14.784 -2.688 -9.396
60 HB3 CYS 10 HB3 CYS 10 15.004 -2.618 -7.650
61 H ASN 11 H ASN 11 14.691 -4.319 -10.759
62 HA ASN 11 HA ASN 11 16.950 -5.337 -12.345
63 HB2 ASN 11 HB2 ASN 11 14.685 -6.609 -12.143
64 HB3 ASN 11 HB3 ASN 11 14.094 -5.394 -13.273
65 HD21 ASN 11 HD21 ASN 11 14.208 -5.936 -15.318
66 HD22 ASN 11 HD22 ASN 11 15.330 -7.047 -16.020
67 HA PRO 12 HA PRO 12 17.139 -1.459 -14.443
68 HB2 PRO 12 HB2 PRO 12 18.554 -2.271 -16.613
69 HB3 PRO 12 HB3 PRO 12 19.282 -2.057 -15.017
70 HG2 PRO 12 HG2 PRO 12 18.362 -4.570 -16.358
71 HG3 PRO 12 HG3 PRO 12 19.840 -4.277 -15.423
72 HD2 PRO 12 HD2 PRO 12 17.676 -5.522 -14.375
73 HD3 PRO 12 HD3 PRO 12 18.756 -4.504 -13.401
74 H SER 13 H SER 13 16.257 -4.351 -16.316
75 HA SER 13 HA SER 13 15.060 -2.944 -18.461
76 HB2 SER 13 HB2 SER 13 15.841 -5.420 -18.334
77 HB3 SER 13 HB3 SER 13 14.238 -5.724 -17.664
78 HG SER 13 HG SER 13 14.959 -4.829 -20.228
79 H ASN 14 H ASN 14 13.965 -3.824 -15.307
80 HA ASN 14 HA ASN 14 11.377 -2.579 -15.886
81 HB2 ASN 14 HB2 ASN 14 11.399 -5.216 -15.840
82 HB3 ASN 14 HB3 ASN 14 11.421 -4.976 -14.096
83 HD21 ASN 14 HD21 ASN 14 9.750 -3.574 -16.899
84 HD22 ASN 14 HD22 ASN 14 8.172 -3.631 -16.198
85 H ASP 15 H ASP 15 12.862 -0.918 -14.793
86 HA ASP 15 HA ASP 15 13.659 -1.015 -12.159
87 HB2 ASP 15 HB2 ASP 15 13.465 1.436 -12.147
88 HB3 ASP 15 HB3 ASP 15 14.189 0.857 -13.645
89 H GLN 16 H GLN 16 12.568 -1.495 -10.382
90 HA GLN 16 HA GLN 16 9.865 -0.407 -10.039
91 HB2 GLN 16 HB2 GLN 16 10.669 -3.252 -9.409
92 HB3 GLN 16 HB3 GLN 16 9.107 -2.526 -9.052
93 HG2 GLN 16 HG2 GLN 16 9.509 -2.093 -11.776
94 HG3 GLN 16 HG3 GLN 16 10.055 -3.742 -11.479
95 HE21 GLN 16 HE21 GLN 16 8.523 -5.045 -10.081
96 HE22 GLN 16 HE22 GLN 16 6.840 -4.894 -10.439
97 H CYS 17 H CYS 17 11.107 1.151 -8.763
98 HA CYS 17 HA CYS 17 11.830 0.089 -6.110
99 HB2 CYS 17 HB2 CYS 17 12.897 2.484 -7.610
100 HB3 CYS 17 HB3 CYS 17 13.212 2.198 -5.902
101 H CYS 18 H CYS 18 11.831 2.240 -4.556
102 HA CYS 18 HA CYS 18 9.018 2.908 -4.386
103 HB2 CYS 18 HB2 CYS 18 11.357 3.501 -2.565
104 HB3 CYS 18 HB3 CYS 18 9.699 3.986 -2.225
105 H LYS 19 H LYS 19 8.357 4.499 -5.692
106 HA LYS 19 HA LYS 19 9.986 6.642 -6.572
107 HB2 LYS 19 HB2 LYS 19 6.967 6.575 -6.533
108 HB3 LYS 19 HB3 LYS 19 7.999 7.524 -7.595
109 HG2 LYS 19 HG2 LYS 19 7.836 4.518 -7.583
110 HG3 LYS 19 HG3 LYS 19 7.001 5.580 -8.718
111 HD2 LYS 19 HD2 LYS 19 9.990 5.601 -8.358
112 HD3 LYS 19 HD3 LYS 19 9.174 4.561 -9.528
113 HE2 LYS 19 HE2 LYS 19 8.052 6.771 -10.310
114 HE3 LYS 19 HE3 LYS 19 9.395 7.544 -9.470
115 HZ1 LYS 19 HZ1 LYS 19 10.352 5.444 -11.098
116 HZ2 LYS 19 HZ2 LYS 19 10.721 7.093 -11.168
117 HZ3 LYS 19 HZ3 LYS 19 9.396 6.485 -12.028
118 H SER 20 H SER 20 7.741 6.254 -3.905
119 HA SER 20 HA SER 20 7.349 8.902 -3.175
120 HB2 SER 20 HB2 SER 20 7.558 6.429 -1.446
121 HB3 SER 20 HB3 SER 20 7.011 7.997 -0.853
122 HG SER 20 HG SER 20 5.158 7.086 -1.440
123 H SER 21 H SER 21 10.063 6.762 -2.530
124 HA SER 21 HA SER 21 11.395 8.834 -0.956
125 HB2 SER 21 HB2 SER 21 12.276 6.002 -1.570
126 HB3 SER 21 HB3 SER 21 13.059 7.109 -0.442
127 HG SER 21 HG SER 21 10.361 6.266 -0.212
128 H SER 22 H SER 22 10.933 8.780 -3.979
129 HA SER 22 HA SER 22 12.046 9.322 -5.893
130 HB2 SER 22 HB2 SER 22 13.579 10.674 -3.715
131 HB3 SER 22 HB3 SER 22 14.248 10.695 -5.347
132 HG SER 22 HG SER 22 11.597 11.488 -4.726
133 H LEU 23 H LEU 23 12.406 6.822 -5.749
134 HA LEU 23 HA LEU 23 15.303 6.300 -5.878
135 HB2 LEU 23 HB2 LEU 23 13.020 4.445 -5.234
136 HB3 LEU 23 HB3 LEU 23 14.675 3.907 -5.515
137 HG LEU 23 HG LEU 23 13.743 5.693 -3.268
138 HD11 LEU 23 HD11 LEU 23 13.191 3.168 -3.285
139 HD12 LEU 23 HD12 LEU 23 13.926 3.875 -1.846
140 HD13 LEU 23 HD13 LEU 23 14.915 2.956 -2.981
141 HD21 LEU 23 HD21 LEU 23 16.324 4.614 -2.838
142 HD22 LEU 23 HD22 LEU 23 15.858 6.306 -3.015
143 HD23 LEU 23 HD23 LEU 23 16.317 5.364 -4.434
144 H ALA 24 H ALA 24 15.934 4.591 -7.447
145 HA ALA 24 HA ALA 24 14.183 3.966 -9.621
146 HB1 ALA 24 HB1 ALA 24 14.726 6.339 -10.107
147 HB2 ALA 24 HB2 ALA 24 16.427 5.886 -10.224
148 HB3 ALA 24 HB3 ALA 24 15.258 5.221 -11.364
149 H CYS 25 H CYS 25 15.102 2.490 -11.106
150 HA CYS 25 HA CYS 25 17.461 1.125 -10.045
151 HB2 CYS 25 HB2 CYS 25 15.154 0.021 -10.650
152 HB3 CYS 25 HB3 CYS 25 15.797 0.044 -12.289
153 H SER 26 H SER 26 19.356 1.645 -10.897
154 HA SER 26 HA SER 26 19.486 2.667 -13.632
155 HB2 SER 26 HB2 SER 26 20.758 3.457 -11.321
156 HB3 SER 26 HB3 SER 26 22.003 2.508 -12.133
157 HG SER 26 HG SER 26 20.524 4.598 -13.357
158 H THR 27 H THR 27 20.605 1.693 -15.265
159 HA THR 27 HA THR 27 21.055 -1.134 -15.020
160 HB THR 27 HB THR 27 21.873 0.481 -17.417
161 HG1 THR 27 HG1 THR 27 19.869 1.086 -17.665
162 HG21 THR 27 HG21 THR 27 21.038 -1.556 -18.589
163 HG22 THR 27 HG22 THR 27 20.753 -2.293 -17.012
164 HG23 THR 27 HG23 THR 27 22.392 -1.867 -17.504
165 H LYS 28 H LYS 28 22.891 1.422 -14.131
166 HA LYS 28 HA LYS 28 25.449 0.343 -15.024
167 HB2 LYS 28 HB2 LYS 28 25.173 2.755 -15.124
168 HB3 LYS 28 HB3 LYS 28 24.763 2.809 -13.415
169 HG2 LYS 28 HG2 LYS 28 27.034 3.545 -13.747
170 HG3 LYS 28 HG3 LYS 28 27.022 2.016 -12.865
171 HD2 LYS 28 HD2 LYS 28 28.342 1.117 -14.410
172 HD3 LYS 28 HD3 LYS 28 27.115 1.424 -15.640
173 HE2 LYS 28 HE2 LYS 28 28.940 2.566 -16.479
174 HE3 LYS 28 HE3 LYS 28 28.073 3.838 -15.620
175 HZ1 LYS 28 HZ1 LYS 28 30.700 3.004 -15.238
176 HZ2 LYS 28 HZ2 LYS 28 29.846 2.564 -13.846
177 HZ3 LYS 28 HZ3 LYS 28 29.847 4.175 -14.363
178 H HIS 29 H HIS 29 23.805 1.115 -11.963
179 HA HIS 29 HA HIS 29 25.747 -0.562 -10.543
180 HB2 HIS 29 HB2 HIS 29 23.692 1.383 -9.472
181 HB3 HIS 29 HB3 HIS 29 24.834 0.469 -8.491
182 HD1 HIS 29 HD1 HIS 29 27.338 0.945 -10.335
183 HD2 HIS 29 HD2 HIS 29 24.726 3.884 -8.994
184 HE1 HIS 29 HE1 HIS 29 28.643 3.093 -10.420
185 H LYS 30 H LYS 30 22.478 -0.462 -11.602
186 HA LYS 30 HA LYS 30 20.746 -1.926 -11.443
187 HB2 LYS 30 HB2 LYS 30 23.124 -3.645 -10.887
188 HB3 LYS 30 HB3 LYS 30 21.522 -4.319 -10.618
189 HG2 LYS 30 HG2 LYS 30 21.096 -3.379 -13.044
190 HG3 LYS 30 HG3 LYS 30 22.851 -3.532 -13.153
191 HD2 LYS 30 HD2 LYS 30 21.155 -5.794 -12.151
192 HD3 LYS 30 HD3 LYS 30 21.397 -5.531 -13.880
193 HE2 LYS 30 HE2 LYS 30 23.082 -7.034 -13.331
194 HE3 LYS 30 HE3 LYS 30 23.907 -5.477 -13.292
195 HZ1 LYS 30 HZ1 LYS 30 23.934 -5.469 -10.976
196 HZ2 LYS 30 HZ2 LYS 30 24.309 -7.070 -11.372
197 HZ3 LYS 30 HZ3 LYS 30 22.751 -6.672 -10.848
198 H TRP 31 H TRP 31 20.405 -0.316 -9.530
199 HA TRP 31 HA TRP 31 19.243 -1.771 -7.418
200 HB2 TRP 31 HB2 TRP 31 20.653 -1.350 -5.583
201 HB3 TRP 31 HB3 TRP 31 21.750 -1.873 -6.859
202 HD1 TRP 31 HD1 TRP 31 22.067 0.875 -8.414
203 HE1 TRP 31 HE1 TRP 31 23.381 2.804 -7.329
204 HE3 TRP 31 HE3 TRP 31 21.746 -0.574 -3.521
205 HZ2 TRP 31 HZ2 TRP 31 24.177 3.605 -4.743
206 HZ3 TRP 31 HZ3 TRP 31 22.811 0.830 -1.804
207 HH2 TRP 31 HH2 TRP 31 24.001 2.875 -2.404
208 H CYS 32 H CYS 32 18.123 -0.412 -5.898
209 HA CYS 32 HA CYS 32 17.058 1.920 -7.065
210 HB2 CYS 32 HB2 CYS 32 16.914 0.999 -4.186
211 HB3 CYS 32 HB3 CYS 32 15.882 2.220 -4.923
212 H LYS 33 H LYS 33 18.561 3.480 -7.498
213 HA LYS 33 HA LYS 33 20.156 4.510 -5.258
214 HB2 LYS 33 HB2 LYS 33 21.376 5.765 -7.082
215 HB3 LYS 33 HB3 LYS 33 21.535 4.014 -7.128
216 HG2 LYS 33 HG2 LYS 33 20.399 3.821 -9.074
217 HG3 LYS 33 HG3 LYS 33 19.340 5.189 -8.720
218 HD2 LYS 33 HD2 LYS 33 20.723 5.852 -10.531
219 HD3 LYS 33 HD3 LYS 33 21.337 6.683 -9.100
220 HE2 LYS 33 HE2 LYS 33 23.243 5.401 -9.008
221 HE3 LYS 33 HE3 LYS 33 22.494 4.038 -9.839
222 HZ1 LYS 33 HZ1 LYS 33 22.567 6.282 -11.549
223 HZ2 LYS 33 HZ2 LYS 33 23.292 4.768 -11.755
224 HZ3 LYS 33 HZ3 LYS 33 24.118 5.996 -10.936
225 H TYR 34 H TYR 34 20.060 6.644 -4.625
226 HA TYR 34 HA TYR 34 17.603 7.959 -4.811
227 HB2 TYR 34 HB2 TYR 34 20.336 8.797 -3.901
228 HB3 TYR 34 HB3 TYR 34 19.037 9.981 -3.990
229 HD1 TYR 34 HD1 TYR 34 16.704 8.627 -3.035
230 HD2 TYR 34 HD2 TYR 34 20.724 8.252 -1.693
231 HE1 TYR 34 HE1 TYR 34 15.893 7.908 -0.827
232 HE2 TYR 34 HE2 TYR 34 19.924 7.531 0.519
233 HH TYR 34 HH TYR 34 16.471 7.461 1.291
234 H GLU 35 H GLU 35 16.718 9.142 -6.363
235 HA GLU 35 HA GLU 35 18.284 9.882 -8.684
236 HB2 GLU 35 HB2 GLU 35 15.359 9.904 -8.017
237 HB3 GLU 35 HB3 GLU 35 15.956 10.786 -9.415
238 HG2 GLU 35 HG2 GLU 35 17.104 8.492 -9.969
239 HG3 GLU 35 HG3 GLU 35 15.829 7.857 -8.931
240 H LEU 36 H LEU 36 19.477 11.670 -8.512
241 HA LEU 36 HA LEU 36 18.167 14.104 -7.500
242 HB2 LEU 36 HB2 LEU 36 20.809 12.936 -6.810
243 HB3 LEU 36 HB3 LEU 36 20.689 14.691 -6.927
244 HG LEU 36 HG LEU 36 18.806 13.131 -5.190
245 HD11 LEU 36 HD11 LEU 36 20.593 14.017 -3.406
246 HD12 LEU 36 HD12 LEU 36 21.677 13.667 -4.751
247 HD13 LEU 36 HD13 LEU 36 20.643 12.396 -4.099
248 HD21 LEU 36 HD21 LEU 36 18.041 15.284 -5.277
249 HD22 LEU 36 HD22 LEU 36 19.648 15.965 -5.530
250 HD23 LEU 36 HD23 LEU 36 19.167 15.413 -3.925