Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624853 | 5xbd RC | 36066 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H3 PCA 1 1.206 -13.374 -5.231
2 HA PCA 1 HA PCA 1 0.108 -15.545 -5.140
3 HB2 PCA 1 HB2 PCA 1 0.215 -15.908 -2.312
4 HB3 PCA 1 HB3 PCA 1 0.869 -16.966 -3.584
5 HG2 PCA 1 HG2 PCA 1 2.261 -15.143 -1.855
6 HG3 PCA 1 HG3 PCA 1 2.913 -16.340 -2.989
7 H CYS 2 H CYS 2 0.181 -12.668 -3.275
8 HA CYS 2 HA CYS 2 -2.752 -12.717 -3.009
9 HB2 CYS 2 HB2 CYS 2 -1.087 -11.275 -0.979
10 HB3 CYS 2 HB3 CYS 2 -2.716 -11.922 -0.827
11 H LYS 3 H LYS 3 0.041 -11.090 -4.042
12 HA LYS 3 HA LYS 3 -1.030 -8.426 -4.037
13 HB2 LYS 3 HB2 LYS 3 1.105 -8.302 -5.758
14 HB3 LYS 3 HB3 LYS 3 1.187 -8.023 -4.035
15 HG2 LYS 3 HG2 LYS 3 2.944 -9.497 -4.541
16 HG3 LYS 3 HG3 LYS 3 1.700 -10.488 -3.779
17 HD2 LYS 3 HD2 LYS 3 1.053 -11.438 -5.840
18 HD3 LYS 3 HD3 LYS 3 1.922 -10.214 -6.767
19 HE2 LYS 3 HE2 LYS 3 4.041 -11.113 -6.047
20 HE3 LYS 3 HE3 LYS 3 3.230 -12.260 -4.980
21 HZ1 LYS 3 HZ1 LYS 3 3.031 -12.210 -7.944
22 HZ2 LYS 3 HZ2 LYS 3 2.247 -13.310 -6.926
23 HZ3 LYS 3 HZ3 LYS 3 3.935 -13.313 -7.033
24 HA PRO 4 HA PRO 4 -2.820 -8.754 -8.132
25 HB2 PRO 4 HB2 PRO 4 -3.438 -5.993 -8.256
26 HB3 PRO 4 HB3 PRO 4 -4.467 -7.273 -7.593
27 HG2 PRO 4 HG2 PRO 4 -3.358 -5.199 -6.122
28 HG3 PRO 4 HG3 PRO 4 -3.987 -6.714 -5.456
29 HD2 PRO 4 HD2 PRO 4 -1.154 -5.965 -6.087
30 HD3 PRO 4 HD3 PRO 4 -1.805 -6.840 -4.685
31 H ASN 5 H ASN 5 -0.125 -6.730 -7.477
32 HA ASN 5 HA ASN 5 1.341 -5.484 -8.674
33 HB2 ASN 5 HB2 ASN 5 1.781 -6.979 -11.014
34 HB3 ASN 5 HB3 ASN 5 2.712 -7.019 -9.527
35 HD21 ASN 5 HD21 ASN 5 2.411 -8.698 -8.079
36 HD22 ASN 5 HD22 ASN 5 1.595 -10.158 -8.515
37 H GLY 6 H GLY 6 0.412 -3.651 -9.200
38 HA2 GLY 6 HA2 GLY 6 0.220 -2.194 -11.179
39 HA3 GLY 6 HA3 GLY 6 -0.814 -3.433 -11.879
40 H ALA 7 H ALA 7 -1.260 -2.979 -8.526
41 HA ALA 7 HA ALA 7 -3.839 -1.675 -9.011
42 HB1 ALA 7 HB1 ALA 7 -2.769 -3.066 -6.557
43 HB2 ALA 7 HB2 ALA 7 -3.877 -3.749 -7.750
44 HB3 ALA 7 HB3 ALA 7 -4.395 -2.408 -6.731
45 H LYS 8 H LYS 8 -4.528 -0.210 -7.001
46 HA LYS 8 HA LYS 8 -2.339 1.706 -6.564
47 HB2 LYS 8 HB2 LYS 8 -5.094 2.025 -7.461
48 HB3 LYS 8 HB3 LYS 8 -4.666 3.113 -6.146
49 HG2 LYS 8 HG2 LYS 8 -3.178 4.278 -7.407
50 HG3 LYS 8 HG3 LYS 8 -2.762 2.882 -8.405
51 HD2 LYS 8 HD2 LYS 8 -4.839 3.052 -9.604
52 HD3 LYS 8 HD3 LYS 8 -5.396 4.338 -8.534
53 HE2 LYS 8 HE2 LYS 8 -3.576 5.776 -9.323
54 HE3 LYS 8 HE3 LYS 8 -3.023 4.488 -10.392
55 HZ1 LYS 8 HZ1 LYS 8 -4.356 6.113 -11.579
56 HZ2 LYS 8 HZ2 LYS 8 -5.662 5.844 -10.539
57 HZ3 LYS 8 HZ3 LYS 8 -5.133 4.609 -11.566
58 H CYS 9 H CYS 9 -2.074 2.707 -4.653
59 HA CYS 9 HA CYS 9 -3.505 1.616 -2.298
60 HB2 CYS 9 HB2 CYS 9 -0.654 2.577 -2.637
61 HB3 CYS 9 HB3 CYS 9 -1.384 2.280 -1.069
62 H THR 10 H THR 10 -4.019 3.084 -0.628
63 HA THR 10 HA THR 10 -3.557 5.926 -1.047
64 HB THR 10 HB THR 10 -6.074 6.339 -0.564
65 HG1 THR 10 HG1 THR 10 -6.006 3.633 -1.045
66 HG21 THR 10 HG21 THR 10 -6.576 6.365 -2.969
67 HG22 THR 10 HG22 THR 10 -5.160 5.358 -3.272
68 HG23 THR 10 HG23 THR 10 -4.960 6.991 -2.637
69 H GLU 11 H GLU 11 -4.400 7.237 0.788
70 HA GLU 11 HA GLU 11 -3.361 6.461 3.217
71 HB2 GLU 11 HB2 GLU 11 -3.865 8.782 2.498
72 HB3 GLU 11 HB3 GLU 11 -5.571 8.469 2.773
73 HG2 GLU 11 HG2 GLU 11 -5.244 8.252 5.108
74 HG3 GLU 11 HG3 GLU 11 -3.491 8.243 4.925
75 H ILE 12 H ILE 12 -6.482 5.714 1.966
76 HA ILE 12 HA ILE 12 -7.255 4.524 4.541
77 HB ILE 12 HB ILE 12 -9.593 4.759 2.985
78 HG12 ILE 12 HG12 ILE 12 -9.662 7.356 2.946
79 HG13 ILE 12 HG13 ILE 12 -7.905 7.257 2.913
80 HG21 ILE 12 HG21 ILE 12 -8.648 6.298 5.392
81 HG22 ILE 12 HG22 ILE 12 -9.486 4.747 5.395
82 HG23 ILE 12 HG23 ILE 12 -10.318 6.198 4.834
83 HD11 ILE 12 HD11 ILE 12 -8.818 7.533 0.682
84 HD12 ILE 12 HD12 ILE 12 -9.780 6.067 0.879
85 HD13 ILE 12 HD13 ILE 12 -8.019 5.969 0.842
86 H SER 13 H SER 13 -6.305 3.682 1.407
87 HA SER 13 HA SER 13 -7.534 1.050 1.760
88 HB2 SER 13 HB2 SER 13 -7.498 2.560 -0.858
89 HB3 SER 13 HB3 SER 13 -8.015 0.887 -0.661
90 HG SER 13 HG SER 13 -9.245 3.248 0.254
91 H ILE 14 H ILE 14 -6.405 -0.692 1.134
92 HA ILE 14 HA ILE 14 -3.923 -0.449 -0.325
93 HB ILE 14 HB ILE 14 -2.569 -1.677 1.381
94 HG12 ILE 14 HG12 ILE 14 -3.507 -1.060 3.836
95 HG13 ILE 14 HG13 ILE 14 -5.034 -1.347 3.006
96 HG21 ILE 14 HG21 ILE 14 -2.019 0.275 2.737
97 HG22 ILE 14 HG22 ILE 14 -3.509 1.054 2.203
98 HG23 ILE 14 HG23 ILE 14 -2.240 0.682 1.034
99 HD11 ILE 14 HD11 ILE 14 -4.259 -3.567 2.351
100 HD12 ILE 14 HD12 ILE 14 -4.232 -3.360 4.102
101 HD13 ILE 14 HD13 ILE 14 -2.730 -3.276 3.181
102 HA PRO 15 HA PRO 15 -5.323 -4.537 -1.565
103 HB2 PRO 15 HB2 PRO 15 -3.154 -5.292 -3.019
104 HB3 PRO 15 HB3 PRO 15 -4.288 -4.056 -3.593
105 HG2 PRO 15 HG2 PRO 15 -1.621 -3.718 -2.314
106 HG3 PRO 15 HG3 PRO 15 -2.329 -2.866 -3.703
107 HD2 PRO 15 HD2 PRO 15 -2.260 -1.816 -1.203
108 HD3 PRO 15 HD3 PRO 15 -3.522 -1.430 -2.388
109 HA PRO 16 HA PRO 16 -3.349 -7.495 1.183
110 HB2 PRO 16 HB2 PRO 16 -2.939 -9.667 -0.712
111 HB3 PRO 16 HB3 PRO 16 -4.187 -9.515 0.537
112 HG2 PRO 16 HG2 PRO 16 -4.748 -9.438 -2.104
113 HG3 PRO 16 HG3 PRO 16 -5.693 -8.557 -0.886
114 HD2 PRO 16 HD2 PRO 16 -3.538 -7.536 -2.697
115 HD3 PRO 16 HD3 PRO 16 -5.113 -6.809 -2.302
116 H CYS 17 H CYS 17 -1.679 -8.147 -1.912
117 HA CYS 17 HA CYS 17 0.467 -8.581 -2.449
118 HB2 CYS 17 HB2 CYS 17 1.256 -6.287 -0.681
119 HB3 CYS 17 HB3 CYS 17 1.939 -6.764 -2.230
120 H CYS 18 H CYS 18 1.267 -10.414 -1.833
121 HA CYS 18 HA CYS 18 2.228 -10.756 0.910
122 HB2 CYS 18 HB2 CYS 18 1.439 -12.644 -1.270
123 HB3 CYS 18 HB3 CYS 18 2.551 -13.197 -0.022
124 H SER 19 H SER 19 3.388 -10.099 -2.229
125 HA SER 19 HA SER 19 6.142 -10.511 -1.305
126 HB2 SER 19 HB2 SER 19 5.166 -11.319 -4.050
127 HB3 SER 19 HB3 SER 19 6.833 -11.399 -3.484
128 HG SER 19 HG SER 19 5.255 -13.339 -3.351
129 H ASN 20 H ASN 20 3.869 -8.727 -3.188
130 HA ASN 20 HA ASN 20 5.854 -6.982 -4.377
131 HB2 ASN 20 HB2 ASN 20 2.838 -6.982 -4.446
132 HB3 ASN 20 HB3 ASN 20 3.812 -5.755 -5.232
133 HD21 ASN 20 HD21 ASN 20 3.041 -6.298 -7.259
134 HD22 ASN 20 HD22 ASN 20 3.521 -7.742 -8.077
135 H PHE 21 H PHE 21 4.821 -4.476 -4.229
136 HA PHE 21 HA PHE 21 4.868 -3.860 -1.349
137 HB2 PHE 21 HB2 PHE 21 6.082 -1.782 -1.914
138 HB3 PHE 21 HB3 PHE 21 6.979 -3.217 -2.367
139 HD1 PHE 21 HD1 PHE 21 7.876 -3.386 -4.485
140 HD2 PHE 21 HD2 PHE 21 4.741 -0.585 -3.816
141 HE1 PHE 21 HE1 PHE 21 8.241 -2.452 -6.729
142 HE2 PHE 21 HE2 PHE 21 5.100 0.349 -6.064
143 HZ PHE 21 HZ PHE 21 6.851 -0.581 -7.521
144 H CYS 22 H CYS 22 3.773 -1.970 -0.655
145 HA CYS 22 HA CYS 22 1.680 -1.017 -2.498
146 HB2 CYS 22 HB2 CYS 22 0.632 -2.358 -0.767
147 HB3 CYS 22 HB3 CYS 22 1.513 -1.498 0.490
148 H LEU 23 H LEU 23 2.213 0.943 -3.118
149 HA LEU 23 HA LEU 23 4.011 2.581 -1.613
150 HB2 LEU 23 HB2 LEU 23 2.699 2.753 -4.274
151 HB3 LEU 23 HB3 LEU 23 3.370 4.214 -3.586
152 HG LEU 23 HG LEU 23 4.891 1.661 -4.164
153 HD11 LEU 23 HD11 LEU 23 4.614 4.272 -5.600
154 HD12 LEU 23 HD12 LEU 23 4.498 2.629 -6.229
155 HD13 LEU 23 HD13 LEU 23 6.066 3.289 -5.776
156 HD21 LEU 23 HD21 LEU 23 5.675 4.217 -2.811
157 HD22 LEU 23 HD22 LEU 23 6.858 3.370 -3.806
158 HD23 LEU 23 HD23 LEU 23 6.128 2.556 -2.423
159 H ARG 24 H ARG 24 2.170 2.313 0.093
160 HA ARG 24 HA ARG 24 0.320 4.580 0.054
161 HB2 ARG 24 HB2 ARG 24 -0.106 2.077 0.886
162 HB3 ARG 24 HB3 ARG 24 0.559 2.706 2.381
163 HG2 ARG 24 HG2 ARG 24 -1.742 4.067 1.007
164 HG3 ARG 24 HG3 ARG 24 -1.992 2.689 2.073
165 HD2 ARG 24 HD2 ARG 24 -2.278 4.473 3.511
166 HD3 ARG 24 HD3 ARG 24 -0.587 4.060 3.773
167 HE ARG 24 HE ARG 24 -0.543 5.953 1.800
168 HH11 ARG 24 HH11 ARG 24 -1.796 5.864 5.080
169 HH12 ARG 24 HH12 ARG 24 -1.577 7.563 5.333
170 HH21 ARG 24 HH21 ARG 24 -0.271 8.179 2.152
171 HH22 ARG 24 HH22 ARG 24 -0.715 8.871 3.676
172 H TYR 25 H TYR 25 2.741 5.546 -0.034
173 HA TYR 25 HA TYR 25 4.113 5.872 2.437
174 HB2 TYR 25 HB2 TYR 25 4.852 6.171 -0.116
175 HB3 TYR 25 HB3 TYR 25 4.495 7.854 0.258
176 HD1 TYR 25 HD1 TYR 25 5.899 9.116 1.762
177 HD2 TYR 25 HD2 TYR 25 6.668 4.995 1.041
178 HE1 TYR 25 HE1 TYR 25 8.108 9.351 2.814
179 HE2 TYR 25 HE2 TYR 25 8.880 5.218 2.092
180 HH TYR 25 HH TYR 25 9.783 7.931 3.917
181 H ALA 26 H ALA 26 4.524 7.993 3.476
182 HA ALA 26 HA ALA 26 2.092 9.284 4.205
183 HB1 ALA 26 HB1 ALA 26 3.458 10.623 5.689
184 HB2 ALA 26 HB2 ALA 26 4.918 10.060 4.878
185 HB3 ALA 26 HB3 ALA 26 3.920 8.924 5.784
186 H GLY 27 H GLY 27 4.371 9.886 1.735
187 HA2 GLY 27 HA2 GLY 27 3.432 12.661 1.395
188 HA3 GLY 27 HA3 GLY 27 4.931 12.021 0.741
189 H GLN 28 H GLN 28 2.311 9.875 0.466
190 HA GLN 28 HA GLN 28 1.735 10.748 -2.286
191 HB2 GLN 28 HB2 GLN 28 2.379 7.970 -1.306
192 HB3 GLN 28 HB3 GLN 28 1.532 8.253 -2.819
193 HG2 GLN 28 HG2 GLN 28 4.182 9.541 -2.266
194 HG3 GLN 28 HG3 GLN 28 4.075 7.892 -2.880
195 HE21 GLN 28 HE21 GLN 28 3.293 7.536 -4.960
196 HE22 GLN 28 HE22 GLN 28 3.188 8.803 -6.130
197 H LYS 29 H LYS 29 -0.311 10.215 -3.101
198 HA LYS 29 HA LYS 29 -2.304 9.424 -1.079
199 HB2 LYS 29 HB2 LYS 29 -2.437 11.604 -3.158
200 HB3 LYS 29 HB3 LYS 29 -3.884 10.944 -2.411
201 HG2 LYS 29 HG2 LYS 29 -3.057 11.623 -0.212
202 HG3 LYS 29 HG3 LYS 29 -1.608 12.289 -0.965
203 HD2 LYS 29 HD2 LYS 29 -2.994 13.859 -2.237
204 HD3 LYS 29 HD3 LYS 29 -4.442 13.190 -1.485
205 HE2 LYS 29 HE2 LYS 29 -2.185 14.393 0.101
206 HE3 LYS 29 HE3 LYS 29 -3.546 15.344 -0.492
207 HZ1 LYS 29 HZ1 LYS 29 -5.040 13.914 0.765
208 HZ2 LYS 29 HZ2 LYS 29 -3.896 14.627 1.786
209 HZ3 LYS 29 HZ3 LYS 29 -3.731 13.005 1.333
210 H SER 30 H SER 30 -0.777 8.207 -3.589
211 HA SER 30 HA SER 30 -2.810 6.372 -4.320
212 HB2 SER 30 HB2 SER 30 -2.847 6.902 -6.783
213 HB3 SER 30 HB3 SER 30 -3.645 8.116 -5.784
214 HG SER 30 HG SER 30 -1.025 8.264 -6.869
215 H GLY 31 H GLY 31 -1.239 4.931 -3.636
216 HA2 GLY 31 HA2 GLY 31 1.318 4.833 -5.036
217 HA3 GLY 31 HA3 GLY 31 0.835 3.837 -3.674
218 H THR 32 H THR 32 1.835 2.088 -5.045
219 HA THR 32 HA THR 32 -0.256 0.782 -6.532
220 HB THR 32 HB THR 32 0.628 2.073 -8.360
221 HG1 THR 32 HG1 THR 32 1.219 -0.674 -8.304
222 HG21 THR 32 HG21 THR 32 3.330 1.071 -7.472
223 HG22 THR 32 HG22 THR 32 2.798 2.738 -7.699
224 HG23 THR 32 HG23 THR 32 3.043 1.693 -9.097
225 H CYS 33 H CYS 33 -0.270 -1.262 -6.006
226 HA CYS 33 HA CYS 33 1.974 -2.527 -4.750
227 HB2 CYS 33 HB2 CYS 33 -0.322 -3.129 -4.087
228 HB3 CYS 33 HB3 CYS 33 -0.614 -3.802 -5.685
229 H ALA 34 H ALA 34 3.629 -3.146 -5.789
230 HA ALA 34 HA ALA 34 3.487 -4.557 -8.334
231 HB1 ALA 34 HB1 ALA 34 3.726 -2.230 -8.970
232 HB2 ALA 34 HB2 ALA 34 5.230 -3.091 -9.298
233 HB3 ALA 34 HB3 ALA 34 5.100 -2.050 -7.882
234 H ASN 35 H ASN 35 5.702 -5.463 -8.915
235 HA ASN 35 HA ASN 35 6.863 -6.657 -6.552
236 HB2 ASN 35 HB2 ASN 35 7.278 -7.056 -9.509
237 HB3 ASN 35 HB3 ASN 35 8.340 -7.814 -8.328
238 HD21 ASN 35 HD21 ASN 35 5.186 -7.777 -9.741
239 HD22 ASN 35 HD22 ASN 35 4.615 -9.236 -9.016
240 H ARG 36 H ARG 36 8.960 -6.526 -5.843
241 HA ARG 36 HA ARG 36 10.397 -4.098 -6.642
242 HB2 ARG 36 HB2 ARG 36 9.691 -4.843 -4.180
243 HB3 ARG 36 HB3 ARG 36 11.219 -5.706 -4.269
244 HG2 ARG 36 HG2 ARG 36 12.382 -3.617 -4.747
245 HG3 ARG 36 HG3 ARG 36 10.848 -2.746 -4.680
246 HD2 ARG 36 HD2 ARG 36 10.571 -3.428 -2.343
247 HD3 ARG 36 HD3 ARG 36 12.110 -4.285 -2.413
248 HE ARG 36 HE ARG 36 12.631 -1.674 -3.164
249 HH11 ARG 36 HH11 ARG 36 11.437 -3.285 -0.281
250 HH12 ARG 36 HH12 ARG 36 12.064 -2.078 0.792
251 HH21 ARG 36 HH21 ARG 36 13.198 -0.282 -0.035
252 HH22 ARG 36 HH22 ARG 36 13.443 -0.108 -1.740
Start of MODEL 2
1 H PCA 1 H3 PCA 1 2.345 -14.688 -4.532
2 HA PCA 1 HA PCA 1 0.223 -15.570 -5.260
3 HB2 PCA 1 HB2 PCA 1 -0.120 -16.019 -2.439
4 HB3 PCA 1 HB3 PCA 1 0.593 -17.094 -3.663
5 HG2 PCA 1 HG2 PCA 1 1.927 -15.556 -1.691
6 HG3 PCA 1 HG3 PCA 1 2.627 -16.612 -2.930
7 H CYS 2 H CYS 2 -0.018 -12.806 -3.223
8 HA CYS 2 HA CYS 2 -2.942 -12.826 -3.536
9 HB2 CYS 2 HB2 CYS 2 -3.256 -11.902 -1.334
10 HB3 CYS 2 HB3 CYS 2 -2.304 -13.373 -1.198
11 H LYS 3 H LYS 3 -0.088 -11.222 -4.205
12 HA LYS 3 HA LYS 3 -1.046 -8.519 -4.084
13 HB2 LYS 3 HB2 LYS 3 1.116 -8.466 -5.831
14 HB3 LYS 3 HB3 LYS 3 1.165 -8.124 -4.120
15 HG2 LYS 3 HG2 LYS 3 2.891 -9.656 -4.515
16 HG3 LYS 3 HG3 LYS 3 1.600 -10.594 -3.767
17 HD2 LYS 3 HD2 LYS 3 1.018 -11.622 -5.796
18 HD3 LYS 3 HD3 LYS 3 1.884 -10.421 -6.754
19 HE2 LYS 3 HE2 LYS 3 4.003 -11.277 -6.002
20 HE3 LYS 3 HE3 LYS 3 3.204 -12.388 -4.890
21 HZ1 LYS 3 HZ1 LYS 3 3.008 -12.460 -7.854
22 HZ2 LYS 3 HZ2 LYS 3 2.233 -13.524 -6.793
23 HZ3 LYS 3 HZ3 LYS 3 3.921 -13.516 -6.897
24 HA PRO 4 HA PRO 4 -2.877 -8.635 -8.176
25 HB2 PRO 4 HB2 PRO 4 -3.417 -5.854 -8.209
26 HB3 PRO 4 HB3 PRO 4 -4.484 -7.128 -7.602
27 HG2 PRO 4 HG2 PRO 4 -3.337 -5.145 -6.046
28 HG3 PRO 4 HG3 PRO 4 -4.002 -6.671 -5.442
29 HD2 PRO 4 HD2 PRO 4 -1.150 -5.957 -6.029
30 HD3 PRO 4 HD3 PRO 4 -1.828 -6.875 -4.667
31 H ASN 5 H ASN 5 -0.137 -6.683 -7.480
32 HA ASN 5 HA ASN 5 1.346 -5.440 -8.664
33 HB2 ASN 5 HB2 ASN 5 1.753 -6.914 -11.025
34 HB3 ASN 5 HB3 ASN 5 2.689 -6.989 -9.542
35 HD21 ASN 5 HD21 ASN 5 2.338 -8.673 -8.099
36 HD22 ASN 5 HD22 ASN 5 1.502 -10.114 -8.557
37 H GLY 6 H GLY 6 0.402 -3.590 -9.145
38 HA2 GLY 6 HA2 GLY 6 0.235 -2.095 -11.103
39 HA3 GLY 6 HA3 GLY 6 -0.809 -3.313 -11.825
40 H ALA 7 H ALA 7 -1.241 -2.901 -8.463
41 HA ALA 7 HA ALA 7 -3.818 -1.583 -8.919
42 HB1 ALA 7 HB1 ALA 7 -3.879 -3.665 -7.687
43 HB2 ALA 7 HB2 ALA 7 -4.353 -2.335 -6.631
44 HB3 ALA 7 HB3 ALA 7 -2.737 -3.029 -6.503
45 H LYS 8 H LYS 8 -4.493 -0.162 -6.872
46 HA LYS 8 HA LYS 8 -2.313 1.766 -6.440
47 HB2 LYS 8 HB2 LYS 8 -5.100 2.062 -7.236
48 HB3 LYS 8 HB3 LYS 8 -4.652 3.118 -5.903
49 HG2 LYS 8 HG2 LYS 8 -3.211 4.341 -7.171
50 HG3 LYS 8 HG3 LYS 8 -2.827 2.986 -8.237
51 HD2 LYS 8 HD2 LYS 8 -4.956 3.183 -9.340
52 HD3 LYS 8 HD3 LYS 8 -5.471 4.430 -8.203
53 HE2 LYS 8 HE2 LYS 8 -3.692 5.903 -9.017
54 HE3 LYS 8 HE3 LYS 8 -3.177 4.655 -10.152
55 HZ1 LYS 8 HZ1 LYS 8 -5.334 4.801 -11.234
56 HZ2 LYS 8 HZ2 LYS 8 -4.565 6.308 -11.231
57 HZ3 LYS 8 HZ3 LYS 8 -5.825 6.001 -10.145
58 H CYS 9 H CYS 9 -2.004 2.721 -4.510
59 HA CYS 9 HA CYS 9 -3.363 1.569 -2.141
60 HB2 CYS 9 HB2 CYS 9 -0.489 2.418 -2.582
61 HB3 CYS 9 HB3 CYS 9 -1.165 2.176 -0.979
62 H THR 10 H THR 10 -3.903 3.003 -0.489
63 HA THR 10 HA THR 10 -3.275 5.833 -0.759
64 HB THR 10 HB THR 10 -5.779 6.367 -0.363
65 HG1 THR 10 HG1 THR 10 -5.845 3.679 -1.154
66 HG21 THR 10 HG21 THR 10 -6.201 6.497 -2.777
67 HG22 THR 10 HG22 THR 10 -4.838 5.418 -3.072
68 HG23 THR 10 HG23 THR 10 -4.562 7.016 -2.379
69 H GLU 11 H GLU 11 -4.072 7.104 1.135
70 HA GLU 11 HA GLU 11 -3.338 5.858 3.549
71 HB2 GLU 11 HB2 GLU 11 -4.073 7.978 4.643
72 HB3 GLU 11 HB3 GLU 11 -2.951 8.202 3.313
73 HG2 GLU 11 HG2 GLU 11 -4.893 8.785 1.860
74 HG3 GLU 11 HG3 GLU 11 -5.920 8.705 3.291
75 H ILE 12 H ILE 12 -6.122 5.373 1.929
76 HA ILE 12 HA ILE 12 -7.653 4.806 4.352
77 HB ILE 12 HB ILE 12 -9.573 4.784 2.543
78 HG12 ILE 12 HG12 ILE 12 -7.958 5.521 0.719
79 HG13 ILE 12 HG13 ILE 12 -9.463 6.412 0.836
80 HG21 ILE 12 HG21 ILE 12 -8.610 7.226 4.001
81 HG22 ILE 12 HG22 ILE 12 -9.684 5.970 4.617
82 HG23 ILE 12 HG23 ILE 12 -10.223 7.031 3.315
83 HD11 ILE 12 HD11 ILE 12 -6.710 7.312 1.647
84 HD12 ILE 12 HD12 ILE 12 -8.176 8.188 2.087
85 HD13 ILE 12 HD13 ILE 12 -7.750 7.980 0.388
86 H SER 13 H SER 13 -6.507 3.606 1.275
87 HA SER 13 HA SER 13 -7.495 0.954 2.011
88 HB2 SER 13 HB2 SER 13 -7.779 2.161 -0.747
89 HB3 SER 13 HB3 SER 13 -8.149 0.488 -0.332
90 HG SER 13 HG SER 13 -9.725 1.308 1.135
91 H ILE 14 H ILE 14 -6.430 -0.811 1.142
92 HA ILE 14 HA ILE 14 -3.965 -0.499 -0.313
93 HB ILE 14 HB ILE 14 -2.590 -1.740 1.394
94 HG12 ILE 14 HG12 ILE 14 -3.529 -1.081 3.843
95 HG13 ILE 14 HG13 ILE 14 -5.054 -1.384 3.014
96 HG21 ILE 14 HG21 ILE 14 -2.243 0.612 1.028
97 HG22 ILE 14 HG22 ILE 14 -2.041 0.227 2.738
98 HG23 ILE 14 HG23 ILE 14 -3.523 1.004 2.177
99 HD11 ILE 14 HD11 ILE 14 -2.747 -3.307 3.223
100 HD12 ILE 14 HD12 ILE 14 -4.270 -3.611 2.389
101 HD13 ILE 14 HD13 ILE 14 -4.253 -3.382 4.138
102 HA PRO 15 HA PRO 15 -5.305 -4.614 -1.549
103 HB2 PRO 15 HB2 PRO 15 -3.141 -5.345 -3.014
104 HB3 PRO 15 HB3 PRO 15 -4.274 -4.101 -3.575
105 HG2 PRO 15 HG2 PRO 15 -1.612 -3.779 -2.273
106 HG3 PRO 15 HG3 PRO 15 -2.302 -2.925 -3.670
107 HD2 PRO 15 HD2 PRO 15 -2.265 -1.868 -1.177
108 HD3 PRO 15 HD3 PRO 15 -3.522 -1.493 -2.372
109 HA PRO 16 HA PRO 16 -3.282 -7.557 1.180
110 HB2 PRO 16 HB2 PRO 16 -2.882 -9.733 -0.704
111 HB3 PRO 16 HB3 PRO 16 -4.132 -9.572 0.541
112 HG2 PRO 16 HG2 PRO 16 -4.676 -9.505 -2.111
113 HG3 PRO 16 HG3 PRO 16 -5.641 -8.647 -0.894
114 HD2 PRO 16 HD2 PRO 16 -3.508 -7.581 -2.702
115 HD3 PRO 16 HD3 PRO 16 -5.087 -6.877 -2.285
116 H CYS 17 H CYS 17 -1.639 -8.175 -1.941
117 HA CYS 17 HA CYS 17 0.504 -8.584 -2.507
118 HB2 CYS 17 HB2 CYS 17 1.316 -6.365 -0.654
119 HB3 CYS 17 HB3 CYS 17 1.996 -6.791 -2.220
120 H CYS 18 H CYS 18 1.307 -10.442 -1.965
121 HA CYS 18 HA CYS 18 2.194 -10.937 0.775
122 HB2 CYS 18 HB2 CYS 18 1.722 -12.765 -1.577
123 HB3 CYS 18 HB3 CYS 18 2.466 -13.313 -0.080
124 H SER 19 H SER 19 3.422 -10.266 -2.365
125 HA SER 19 HA SER 19 6.161 -10.599 -1.352
126 HB2 SER 19 HB2 SER 19 5.207 -11.506 -4.072
127 HB3 SER 19 HB3 SER 19 6.899 -11.419 -3.585
128 HG SER 19 HG SER 19 6.239 -13.493 -3.213
129 H ASN 20 H ASN 20 3.885 -8.834 -3.216
130 HA ASN 20 HA ASN 20 5.842 -7.064 -4.415
131 HB2 ASN 20 HB2 ASN 20 2.822 -7.063 -4.419
132 HB3 ASN 20 HB3 ASN 20 3.784 -5.835 -5.221
133 HD21 ASN 20 HD21 ASN 20 3.016 -6.338 -7.244
134 HD22 ASN 20 HD22 ASN 20 3.449 -7.786 -8.079
135 H PHE 21 H PHE 21 4.821 -4.565 -4.204
136 HA PHE 21 HA PHE 21 4.900 -4.006 -1.313
137 HB2 PHE 21 HB2 PHE 21 6.106 -1.914 -1.862
138 HB3 PHE 21 HB3 PHE 21 7.002 -3.347 -2.328
139 HD1 PHE 21 HD1 PHE 21 7.905 -3.485 -4.444
140 HD2 PHE 21 HD2 PHE 21 4.739 -0.724 -3.755
141 HE1 PHE 21 HE1 PHE 21 8.267 -2.525 -6.677
142 HE2 PHE 21 HE2 PHE 21 5.095 0.239 -5.992
143 HZ PHE 21 HZ PHE 21 6.861 -0.660 -7.454
144 H CYS 22 H CYS 22 3.826 -2.119 -0.575
145 HA CYS 22 HA CYS 22 1.720 -1.130 -2.381
146 HB2 CYS 22 HB2 CYS 22 0.703 -2.507 -0.646
147 HB3 CYS 22 HB3 CYS 22 1.568 -1.625 0.606
148 H LEU 23 H LEU 23 2.319 0.813 -2.999
149 HA LEU 23 HA LEU 23 4.096 2.440 -1.454
150 HB2 LEU 23 HB2 LEU 23 2.821 2.633 -4.134
151 HB3 LEU 23 HB3 LEU 23 3.525 4.074 -3.436
152 HG LEU 23 HG LEU 23 4.978 1.484 -4.015
153 HD11 LEU 23 HD11 LEU 23 4.506 2.581 -6.052
154 HD12 LEU 23 HD12 LEU 23 6.184 2.950 -5.663
155 HD13 LEU 23 HD13 LEU 23 4.928 4.157 -5.390
156 HD21 LEU 23 HD21 LEU 23 6.217 2.332 -2.250
157 HD22 LEU 23 HD22 LEU 23 5.818 4.006 -2.633
158 HD23 LEU 23 HD23 LEU 23 6.989 3.132 -3.619
159 H ARG 24 H ARG 24 2.131 2.144 0.171
160 HA ARG 24 HA ARG 24 0.220 4.326 0.070
161 HB2 ARG 24 HB2 ARG 24 -0.091 1.920 1.059
162 HB3 ARG 24 HB3 ARG 24 0.713 2.576 2.471
163 HG2 ARG 24 HG2 ARG 24 -1.701 3.957 1.349
164 HG3 ARG 24 HG3 ARG 24 -1.889 2.519 2.348
165 HD2 ARG 24 HD2 ARG 24 -2.005 4.137 3.961
166 HD3 ARG 24 HD3 ARG 24 -0.272 3.837 3.966
167 HE ARG 24 HE ARG 24 -0.721 5.854 2.122
168 HH11 ARG 24 HH11 ARG 24 -1.130 5.430 5.585
169 HH12 ARG 24 HH12 ARG 24 -0.908 7.112 5.933
170 HH21 ARG 24 HH21 ARG 24 -0.434 8.052 2.603
171 HH22 ARG 24 HH22 ARG 24 -0.514 8.593 4.246
172 H TYR 25 H TYR 25 2.241 5.710 -0.178
173 HA TYR 25 HA TYR 25 3.743 6.312 2.207
174 HB2 TYR 25 HB2 TYR 25 4.254 6.548 -0.476
175 HB3 TYR 25 HB3 TYR 25 3.922 8.214 -0.020
176 HD1 TYR 25 HD1 TYR 25 5.406 9.413 1.484
177 HD2 TYR 25 HD2 TYR 25 6.186 5.369 0.421
178 HE1 TYR 25 HE1 TYR 25 7.690 9.629 2.367
179 HE2 TYR 25 HE2 TYR 25 8.473 5.572 1.302
180 HH TYR 25 HH TYR 25 10.119 7.339 1.763
181 H ALA 26 H ALA 26 3.887 8.496 3.108
182 HA ALA 26 HA ALA 26 1.270 9.642 3.541
183 HB1 ALA 26 HB1 ALA 26 2.351 10.993 5.239
184 HB2 ALA 26 HB2 ALA 26 3.935 10.450 4.683
185 HB3 ALA 26 HB3 ALA 26 2.811 9.298 5.404
186 H GLY 27 H GLY 27 3.886 10.272 1.450
187 HA2 GLY 27 HA2 GLY 27 2.889 13.005 0.919
188 HA3 GLY 27 HA3 GLY 27 4.561 12.519 0.688
189 H GLN 28 H GLN 28 1.893 10.450 -0.228
190 HA GLN 28 HA GLN 28 2.299 11.121 -3.056
191 HB2 GLN 28 HB2 GLN 28 2.339 8.387 -1.802
192 HB3 GLN 28 HB3 GLN 28 1.977 8.614 -3.507
193 HG2 GLN 28 HG2 GLN 28 4.171 9.766 -3.753
194 HG3 GLN 28 HG3 GLN 28 4.527 9.339 -2.080
195 HE21 GLN 28 HE21 GLN 28 4.101 8.154 -5.318
196 HE22 GLN 28 HE22 GLN 28 4.786 6.590 -5.055
197 H LYS 29 H LYS 29 0.266 9.453 -0.722
198 HA LYS 29 HA LYS 29 -1.970 9.169 -0.469
199 HB2 LYS 29 HB2 LYS 29 -2.051 11.602 -2.256
200 HB3 LYS 29 HB3 LYS 29 -3.502 10.870 -1.587
201 HG2 LYS 29 HG2 LYS 29 -2.677 11.275 0.672
202 HG3 LYS 29 HG3 LYS 29 -1.205 11.988 0.011
203 HD2 LYS 29 HD2 LYS 29 -2.544 13.731 -1.075
204 HD3 LYS 29 HD3 LYS 29 -4.011 13.019 -0.401
205 HE2 LYS 29 HE2 LYS 29 -3.174 13.435 1.859
206 HE3 LYS 29 HE3 LYS 29 -1.704 14.139 1.187
207 HZ1 LYS 29 HZ1 LYS 29 -3.044 15.866 0.157
208 HZ2 LYS 29 HZ2 LYS 29 -3.283 15.846 1.831
209 HZ3 LYS 29 HZ3 LYS 29 -4.455 15.191 0.803
210 H SER 30 H SER 30 -0.429 8.172 -3.047
211 HA SER 30 HA SER 30 -2.525 6.529 -4.030
212 HB2 SER 30 HB2 SER 30 -2.440 7.312 -6.423
213 HB3 SER 30 HB3 SER 30 -3.211 8.459 -5.328
214 HG SER 30 HG SER 30 -0.550 8.903 -5.483
215 H GLY 31 H GLY 31 -1.063 4.936 -3.460
216 HA2 GLY 31 HA2 GLY 31 1.499 4.834 -4.878
217 HA3 GLY 31 HA3 GLY 31 1.029 3.832 -3.516
218 H THR 32 H THR 32 1.925 2.075 -4.904
219 HA THR 32 HA THR 32 -0.222 0.825 -6.356
220 HB THR 32 HB THR 32 0.662 2.115 -8.195
221 HG1 THR 32 HG1 THR 32 1.243 -0.648 -8.194
222 HG21 THR 32 HG21 THR 32 3.054 1.642 -8.983
223 HG22 THR 32 HG22 THR 32 3.346 1.037 -7.352
224 HG23 THR 32 HG23 THR 32 2.861 2.715 -7.599
225 H CYS 33 H CYS 33 -0.235 -1.262 -5.962
226 HA CYS 33 HA CYS 33 2.004 -2.547 -4.694
227 HB2 CYS 33 HB2 CYS 33 -0.291 -3.141 -4.025
228 HB3 CYS 33 HB3 CYS 33 -0.598 -3.791 -5.630
229 H ALA 34 H ALA 34 3.649 -3.210 -5.736
230 HA ALA 34 HA ALA 34 3.473 -4.590 -8.293
231 HB1 ALA 34 HB1 ALA 34 5.112 -2.099 -7.842
232 HB2 ALA 34 HB2 ALA 34 3.735 -2.269 -8.930
233 HB3 ALA 34 HB3 ALA 34 5.232 -3.141 -9.259
234 H ASN 35 H ASN 35 5.680 -5.505 -8.905
235 HA ASN 35 HA ASN 35 6.859 -6.722 -6.558
236 HB2 ASN 35 HB2 ASN 35 7.232 -7.122 -9.523
237 HB3 ASN 35 HB3 ASN 35 8.289 -7.901 -8.352
238 HD21 ASN 35 HD21 ASN 35 5.132 -7.812 -9.750
239 HD22 ASN 35 HD22 ASN 35 4.539 -9.262 -9.019
240 H ARG 36 H ARG 36 8.973 -6.604 -5.884
241 HA ARG 36 HA ARG 36 10.415 -4.193 -6.726
242 HB2 ARG 36 HB2 ARG 36 9.743 -4.923 -4.243
243 HB3 ARG 36 HB3 ARG 36 11.277 -5.774 -4.352
244 HG2 ARG 36 HG2 ARG 36 12.415 -3.682 -4.864
245 HG3 ARG 36 HG3 ARG 36 10.877 -2.821 -4.793
246 HD2 ARG 36 HD2 ARG 36 10.630 -3.482 -2.442
247 HD3 ARG 36 HD3 ARG 36 12.182 -4.313 -2.519
248 HE ARG 36 HE ARG 36 12.720 -1.745 -3.302
249 HH11 ARG 36 HH11 ARG 36 11.323 -3.184 -0.418
250 HH12 ARG 36 HH12 ARG 36 11.886 -1.920 0.624
251 HH21 ARG 36 HH21 ARG 36 13.086 -0.176 -0.227
252 HH22 ARG 36 HH22 ARG 36 13.445 -0.101 -1.920
Start of MODEL 3
1 H PCA 1 H3 PCA 1 1.106 -13.765 -5.698
2 HA PCA 1 HA PCA 1 -0.028 -15.882 -5.343
3 HB2 PCA 1 HB2 PCA 1 0.062 -15.918 -2.497
4 HB3 PCA 1 HB3 PCA 1 0.725 -17.117 -3.631
5 HG2 PCA 1 HG2 PCA 1 2.146 -15.268 -2.044
6 HG3 PCA 1 HG3 PCA 1 2.787 -16.395 -3.253
7 H CYS 2 H CYS 2 0.103 -12.841 -3.731
8 HA CYS 2 HA CYS 2 -2.831 -12.778 -3.541
9 HB2 CYS 2 HB2 CYS 2 -1.118 -11.251 -1.608
10 HB3 CYS 2 HB3 CYS 2 -2.804 -11.728 -1.453
11 H LYS 3 H LYS 3 0.141 -11.036 -4.028
12 HA LYS 3 HA LYS 3 -0.931 -8.487 -4.597
13 HB2 LYS 3 HB2 LYS 3 1.451 -8.594 -6.024
14 HB3 LYS 3 HB3 LYS 3 1.250 -7.989 -4.398
15 HG2 LYS 3 HG2 LYS 3 3.109 -9.499 -4.451
16 HG3 LYS 3 HG3 LYS 3 1.809 -10.252 -3.535
17 HD2 LYS 3 HD2 LYS 3 2.490 -12.020 -4.842
18 HD3 LYS 3 HD3 LYS 3 1.222 -11.338 -5.858
19 HE2 LYS 3 HE2 LYS 3 2.874 -10.185 -7.206
20 HE3 LYS 3 HE3 LYS 3 4.169 -10.736 -6.144
21 HZ1 LYS 3 HZ1 LYS 3 4.038 -12.076 -8.146
22 HZ2 LYS 3 HZ2 LYS 3 2.432 -12.482 -7.805
23 HZ3 LYS 3 HZ3 LYS 3 3.672 -13.014 -6.786
24 HA PRO 4 HA PRO 4 -1.977 -9.254 -8.918
25 HB2 PRO 4 HB2 PRO 4 -3.164 -6.859 -9.386
26 HB3 PRO 4 HB3 PRO 4 -3.889 -8.095 -8.344
27 HG2 PRO 4 HG2 PRO 4 -2.802 -5.510 -7.606
28 HG3 PRO 4 HG3 PRO 4 -3.753 -6.641 -6.629
29 HD2 PRO 4 HD2 PRO 4 -0.834 -6.250 -6.713
30 HD3 PRO 4 HD3 PRO 4 -1.830 -7.056 -5.483
31 H ASN 5 H ASN 5 0.325 -6.953 -7.940
32 HA ASN 5 HA ASN 5 2.026 -5.835 -8.887
33 HB2 ASN 5 HB2 ASN 5 1.479 -7.178 -11.525
34 HB3 ASN 5 HB3 ASN 5 2.996 -6.515 -10.936
35 HD21 ASN 5 HD21 ASN 5 4.307 -7.740 -9.693
36 HD22 ASN 5 HD22 ASN 5 4.002 -9.396 -9.307
37 H GLY 6 H GLY 6 -0.952 -5.043 -9.289
38 HA2 GLY 6 HA2 GLY 6 -0.372 -2.583 -10.674
39 HA3 GLY 6 HA3 GLY 6 -1.454 -3.635 -11.567
40 H ALA 7 H ALA 7 -1.349 -3.199 -8.045
41 HA ALA 7 HA ALA 7 -4.140 -2.262 -8.142
42 HB1 ALA 7 HB1 ALA 7 -3.847 -2.705 -5.555
43 HB2 ALA 7 HB2 ALA 7 -2.534 -3.740 -6.117
44 HB3 ALA 7 HB3 ALA 7 -4.183 -4.021 -6.676
45 H LYS 8 H LYS 8 -4.795 -0.551 -6.607
46 HA LYS 8 HA LYS 8 -2.729 1.517 -6.436
47 HB2 LYS 8 HB2 LYS 8 -5.562 1.491 -7.026
48 HB3 LYS 8 HB3 LYS 8 -5.182 2.653 -5.762
49 HG2 LYS 8 HG2 LYS 8 -3.868 3.936 -7.147
50 HG3 LYS 8 HG3 LYS 8 -3.539 2.596 -8.250
51 HD2 LYS 8 HD2 LYS 8 -5.797 2.673 -9.090
52 HD3 LYS 8 HD3 LYS 8 -6.229 3.912 -7.911
53 HE2 LYS 8 HE2 LYS 8 -4.627 5.450 -8.947
54 HE3 LYS 8 HE3 LYS 8 -4.198 4.208 -10.124
55 HZ1 LYS 8 HZ1 LYS 8 -5.777 5.786 -11.040
56 HZ2 LYS 8 HZ2 LYS 8 -6.883 5.440 -9.809
57 HZ3 LYS 8 HZ3 LYS 8 -6.475 4.247 -10.936
58 H CYS 9 H CYS 9 -2.360 2.721 -4.623
59 HA CYS 9 HA CYS 9 -3.381 1.658 -2.059
60 HB2 CYS 9 HB2 CYS 9 -0.633 2.717 -2.755
61 HB3 CYS 9 HB3 CYS 9 -1.170 2.407 -1.111
62 H THR 10 H THR 10 -3.848 3.142 -0.447
63 HA THR 10 HA THR 10 -3.479 5.984 -0.922
64 HB THR 10 HB THR 10 -5.978 6.346 -0.307
65 HG1 THR 10 HG1 THR 10 -5.877 3.642 -0.802
66 HG21 THR 10 HG21 THR 10 -6.599 6.366 -2.683
67 HG22 THR 10 HG22 THR 10 -5.178 5.390 -3.058
68 HG23 THR 10 HG23 THR 10 -4.984 7.026 -2.428
69 H GLU 11 H GLU 11 -4.245 7.293 0.958
70 HA GLU 11 HA GLU 11 -3.075 6.474 3.341
71 HB2 GLU 11 HB2 GLU 11 -5.266 8.536 3.158
72 HB3 GLU 11 HB3 GLU 11 -3.972 8.453 4.344
73 HG2 GLU 11 HG2 GLU 11 -2.366 8.808 2.447
74 HG3 GLU 11 HG3 GLU 11 -3.767 9.150 1.434
75 H ILE 12 H ILE 12 -6.201 5.752 2.175
76 HA ILE 12 HA ILE 12 -6.983 4.689 4.810
77 HB ILE 12 HB ILE 12 -9.321 4.848 3.267
78 HG12 ILE 12 HG12 ILE 12 -9.385 7.432 3.027
79 HG13 ILE 12 HG13 ILE 12 -7.629 7.329 2.992
80 HG21 ILE 12 HG21 ILE 12 -10.023 6.425 5.011
81 HG22 ILE 12 HG22 ILE 12 -8.346 6.559 5.543
82 HG23 ILE 12 HG23 ILE 12 -9.190 5.016 5.671
83 HD11 ILE 12 HD11 ILE 12 -7.800 5.819 1.044
84 HD12 ILE 12 HD12 ILE 12 -8.473 7.423 0.750
85 HD13 ILE 12 HD13 ILE 12 -9.547 6.057 1.054
86 H SER 13 H SER 13 -6.136 3.757 1.645
87 HA SER 13 HA SER 13 -7.289 1.111 2.143
88 HB2 SER 13 HB2 SER 13 -7.413 2.547 -0.515
89 HB3 SER 13 HB3 SER 13 -7.890 0.871 -0.245
90 HG SER 13 HG SER 13 -9.326 1.894 1.446
91 H ILE 14 H ILE 14 -6.194 -0.645 1.386
92 HA ILE 14 HA ILE 14 -3.747 -0.317 -0.122
93 HB ILE 14 HB ILE 14 -2.375 -1.649 1.520
94 HG12 ILE 14 HG12 ILE 14 -3.219 -1.043 3.999
95 HG13 ILE 14 HG13 ILE 14 -4.786 -1.228 3.218
96 HG21 ILE 14 HG21 ILE 14 -2.000 0.709 1.172
97 HG22 ILE 14 HG22 ILE 14 -1.733 0.280 2.862
98 HG23 ILE 14 HG23 ILE 14 -3.221 1.101 2.385
99 HD11 ILE 14 HD11 ILE 14 -4.162 -3.478 2.503
100 HD12 ILE 14 HD12 ILE 14 -4.066 -3.302 4.256
101 HD13 ILE 14 HD13 ILE 14 -2.593 -3.289 3.286
102 HA PRO 15 HA PRO 15 -5.052 -4.358 -1.560
103 HB2 PRO 15 HB2 PRO 15 -2.838 -5.061 -2.961
104 HB3 PRO 15 HB3 PRO 15 -3.927 -3.776 -3.515
105 HG2 PRO 15 HG2 PRO 15 -1.311 -3.547 -2.106
106 HG3 PRO 15 HG3 PRO 15 -1.941 -2.613 -3.477
107 HD2 PRO 15 HD2 PRO 15 -1.982 -1.697 -0.924
108 HD3 PRO 15 HD3 PRO 15 -3.174 -1.228 -2.150
109 HA PRO 16 HA PRO 16 -3.131 -7.416 1.117
110 HB2 PRO 16 HB2 PRO 16 -2.906 -9.594 -0.768
111 HB3 PRO 16 HB3 PRO 16 -4.168 -9.330 0.446
112 HG2 PRO 16 HG2 PRO 16 -4.612 -9.221 -2.240
113 HG3 PRO 16 HG3 PRO 16 -5.580 -8.344 -1.038
114 HD2 PRO 16 HD2 PRO 16 -3.347 -7.337 -2.759
115 HD3 PRO 16 HD3 PRO 16 -4.900 -6.567 -2.360
116 H CYS 17 H CYS 17 -1.637 -7.965 -2.081
117 HA CYS 17 HA CYS 17 0.451 -8.549 -2.723
118 HB2 CYS 17 HB2 CYS 17 1.306 -6.227 -1.000
119 HB3 CYS 17 HB3 CYS 17 2.052 -6.797 -2.489
120 H CYS 18 H CYS 18 1.018 -10.475 -2.023
121 HA CYS 18 HA CYS 18 2.103 -10.828 0.657
122 HB2 CYS 18 HB2 CYS 18 1.285 -12.716 -1.531
123 HB3 CYS 18 HB3 CYS 18 2.255 -13.277 -0.172
124 H SER 19 H SER 19 3.316 -10.086 -2.412
125 HA SER 19 HA SER 19 6.030 -10.695 -1.508
126 HB2 SER 19 HB2 SER 19 4.904 -11.597 -4.161
127 HB3 SER 19 HB3 SER 19 6.629 -11.552 -3.799
128 HG SER 19 HG SER 19 4.678 -13.305 -2.939
129 H ASN 20 H ASN 20 3.873 -8.609 -3.121
130 HA ASN 20 HA ASN 20 6.055 -7.066 -4.331
131 HB2 ASN 20 HB2 ASN 20 3.061 -6.829 -4.677
132 HB3 ASN 20 HB3 ASN 20 4.232 -5.773 -5.447
133 HD21 ASN 20 HD21 ASN 20 2.374 -7.266 -6.848
134 HD22 ASN 20 HD22 ASN 20 3.202 -8.458 -7.785
135 H PHE 21 H PHE 21 4.758 -4.519 -4.303
136 HA PHE 21 HA PHE 21 4.899 -3.875 -1.436
137 HB2 PHE 21 HB2 PHE 21 5.965 -1.745 -2.033
138 HB3 PHE 21 HB3 PHE 21 6.910 -3.112 -2.583
139 HD1 PHE 21 HD1 PHE 21 4.392 -0.628 -3.858
140 HD2 PHE 21 HD2 PHE 21 7.761 -3.089 -4.705
141 HE1 PHE 21 HE1 PHE 21 4.593 0.397 -6.087
142 HE2 PHE 21 HE2 PHE 21 7.958 -2.064 -6.926
143 HZ PHE 21 HZ PHE 21 6.376 -0.313 -7.616
144 H CYS 22 H CYS 22 4.013 -1.653 -0.962
145 HA CYS 22 HA CYS 22 1.681 -0.945 -2.585
146 HB2 CYS 22 HB2 CYS 22 0.794 -2.270 -0.722
147 HB3 CYS 22 HB3 CYS 22 1.679 -1.279 0.432
148 H LEU 23 H LEU 23 2.137 1.022 -3.275
149 HA LEU 23 HA LEU 23 4.019 2.697 -1.921
150 HB2 LEU 23 HB2 LEU 23 2.542 2.787 -4.492
151 HB3 LEU 23 HB3 LEU 23 3.189 4.291 -3.877
152 HG LEU 23 HG LEU 23 4.794 1.788 -4.465
153 HD11 LEU 23 HD11 LEU 23 5.785 3.369 -6.221
154 HD12 LEU 23 HD12 LEU 23 4.326 4.331 -5.979
155 HD13 LEU 23 HD13 LEU 23 4.202 2.663 -6.534
156 HD21 LEU 23 HD21 LEU 23 5.519 4.421 -3.246
157 HD22 LEU 23 HD22 LEU 23 6.682 3.622 -4.301
158 HD23 LEU 23 HD23 LEU 23 6.099 2.803 -2.854
159 H ARG 24 H ARG 24 2.269 2.413 -0.098
160 HA ARG 24 HA ARG 24 0.385 4.645 -0.036
161 HB2 ARG 24 HB2 ARG 24 0.071 2.157 0.858
162 HB3 ARG 24 HB3 ARG 24 0.847 2.807 2.289
163 HG2 ARG 24 HG2 ARG 24 -1.571 4.142 1.112
164 HG3 ARG 24 HG3 ARG 24 -1.729 2.744 2.168
165 HD2 ARG 24 HD2 ARG 24 -1.921 4.489 3.664
166 HD3 ARG 24 HD3 ARG 24 -0.205 4.110 3.778
167 HE ARG 24 HE ARG 24 -0.353 6.038 1.849
168 HH11 ARG 24 HH11 ARG 24 -1.370 5.862 5.206
169 HH12 ARG 24 HH12 ARG 24 -1.178 7.563 5.474
170 HH21 ARG 24 HH21 ARG 24 -0.120 8.266 2.220
171 HH22 ARG 24 HH22 ARG 24 -0.472 8.920 3.785
172 H TYR 25 H TYR 25 2.680 5.764 -0.306
173 HA TYR 25 HA TYR 25 4.263 6.144 2.035
174 HB2 TYR 25 HB2 TYR 25 4.722 6.517 -0.590
175 HB3 TYR 25 HB3 TYR 25 4.355 8.173 -0.123
176 HD1 TYR 25 HD1 TYR 25 5.874 9.441 1.249
177 HD2 TYR 25 HD2 TYR 25 6.673 5.357 0.362
178 HE1 TYR 25 HE1 TYR 25 8.171 9.716 2.081
179 HE2 TYR 25 HE2 TYR 25 8.973 5.622 1.192
180 HH TYR 25 HH TYR 25 10.609 7.420 1.540
181 H ALA 26 H ALA 26 4.602 8.199 3.141
182 HA ALA 26 HA ALA 26 2.183 9.375 4.049
183 HB1 ALA 26 HB1 ALA 26 3.586 10.745 5.465
184 HB2 ALA 26 HB2 ALA 26 5.011 10.274 4.538
185 HB3 ALA 26 HB3 ALA 26 4.135 9.070 5.484
186 H GLY 27 H GLY 27 4.372 10.210 1.533
187 HA2 GLY 27 HA2 GLY 27 3.322 12.942 1.314
188 HA3 GLY 27 HA3 GLY 27 4.715 12.303 0.455
189 H GLN 28 H GLN 28 2.871 9.835 -0.023
190 HA GLN 28 HA GLN 28 1.716 10.867 -2.509
191 HB2 GLN 28 HB2 GLN 28 2.432 8.088 -1.580
192 HB3 GLN 28 HB3 GLN 28 1.477 8.376 -3.028
193 HG2 GLN 28 HG2 GLN 28 3.305 9.649 -4.005
194 HG3 GLN 28 HG3 GLN 28 4.263 9.417 -2.543
195 HE21 GLN 28 HE21 GLN 28 5.145 7.401 -2.110
196 HE22 GLN 28 HE22 GLN 28 5.269 6.171 -3.316
197 H LYS 29 H LYS 29 -0.388 10.309 -3.166
198 HA LYS 29 HA LYS 29 -2.204 9.500 -0.997
199 HB2 LYS 29 HB2 LYS 29 -3.910 11.052 -2.010
200 HB3 LYS 29 HB3 LYS 29 -2.541 11.846 -1.257
201 HG2 LYS 29 HG2 LYS 29 -1.555 12.244 -3.467
202 HG3 LYS 29 HG3 LYS 29 -2.934 11.440 -4.221
203 HD2 LYS 29 HD2 LYS 29 -4.432 13.134 -3.272
204 HD3 LYS 29 HD3 LYS 29 -3.050 13.937 -2.527
205 HE2 LYS 29 HE2 LYS 29 -3.272 13.478 -5.493
206 HE3 LYS 29 HE3 LYS 29 -3.891 14.926 -4.703
207 HZ1 LYS 29 HZ1 LYS 29 -1.674 15.284 -5.586
208 HZ2 LYS 29 HZ2 LYS 29 -1.066 14.006 -4.659
209 HZ3 LYS 29 HZ3 LYS 29 -1.658 15.396 -3.897
210 H SER 30 H SER 30 -0.903 8.328 -3.653
211 HA SER 30 HA SER 30 -3.003 6.499 -4.217
212 HB2 SER 30 HB2 SER 30 -3.787 8.469 -5.577
213 HB3 SER 30 HB3 SER 30 -2.289 8.367 -6.503
214 HG SER 30 HG SER 30 -3.385 7.019 -7.686
215 H GLY 31 H GLY 31 -1.253 5.187 -3.533
216 HA2 GLY 31 HA2 GLY 31 1.116 5.037 -5.215
217 HA3 GLY 31 HA3 GLY 31 0.815 4.117 -3.750
218 H THR 32 H THR 32 1.621 2.242 -4.957
219 HA THR 32 HA THR 32 -0.525 0.795 -6.162
220 HB THR 32 HB THR 32 0.115 2.046 -8.152
221 HG1 THR 32 HG1 THR 32 0.839 -0.698 -8.117
222 HG21 THR 32 HG21 THR 32 2.413 1.563 -9.175
223 HG22 THR 32 HG22 THR 32 2.894 1.039 -7.561
224 HG23 THR 32 HG23 THR 32 2.361 2.699 -7.828
225 H CYS 33 H CYS 33 -0.124 -1.342 -6.527
226 HA CYS 33 HA CYS 33 2.182 -2.509 -5.149
227 HB2 CYS 33 HB2 CYS 33 -0.225 -3.239 -4.613
228 HB3 CYS 33 HB3 CYS 33 -0.233 -4.010 -6.192
229 H ALA 34 H ALA 34 3.765 -3.516 -6.307
230 HA ALA 34 HA ALA 34 3.313 -4.155 -9.102
231 HB1 ALA 34 HB1 ALA 34 4.064 -1.809 -8.976
232 HB2 ALA 34 HB2 ALA 34 5.151 -2.855 -9.890
233 HB3 ALA 34 HB3 ALA 34 5.564 -2.377 -8.243
234 H ASN 35 H ASN 35 6.305 -3.811 -7.249
235 HA ASN 35 HA ASN 35 6.651 -6.600 -6.740
236 HB2 ASN 35 HB2 ASN 35 7.965 -5.409 -9.143
237 HB3 ASN 35 HB3 ASN 35 8.930 -6.498 -8.155
238 HD21 ASN 35 HD21 ASN 35 6.459 -6.219 -10.483
239 HD22 ASN 35 HD22 ASN 35 6.110 -7.902 -10.652
240 H ARG 36 H ARG 36 7.702 -6.719 -4.902
241 HA ARG 36 HA ARG 36 9.473 -4.529 -4.099
242 HB2 ARG 36 HB2 ARG 36 7.447 -5.464 -2.709
243 HB3 ARG 36 HB3 ARG 36 8.590 -6.718 -2.252
244 HG2 ARG 36 HG2 ARG 36 10.091 -5.057 -1.332
245 HG3 ARG 36 HG3 ARG 36 9.013 -3.764 -1.856
246 HD2 ARG 36 HD2 ARG 36 7.254 -4.649 -0.395
247 HD3 ARG 36 HD3 ARG 36 8.344 -5.930 0.133
248 HE ARG 36 HE ARG 36 9.631 -3.520 0.619
249 HH11 ARG 36 HH11 ARG 36 6.734 -5.149 1.758
250 HH12 ARG 36 HH12 ARG 36 6.781 -4.389 3.314
251 HH21 ARG 36 HH21 ARG 36 8.442 -2.913 3.824
252 HH22 ARG 36 HH22 ARG 36 9.671 -2.538 2.662
Start of MODEL 4
1 H PCA 1 H3 PCA 1 1.740 -13.765 -2.867
2 HA PCA 1 HA PCA 1 0.564 -15.522 -4.963
3 HB2 PCA 1 HB2 PCA 1 -0.056 -16.161 -2.236
4 HB3 PCA 1 HB3 PCA 1 0.822 -17.137 -3.434
5 HG2 PCA 1 HG2 PCA 1 1.867 -15.619 -1.243
6 HG3 PCA 1 HG3 PCA 1 2.714 -16.703 -2.362
7 H CYS 2 H CYS 2 0.142 -12.786 -2.963
8 HA CYS 2 HA CYS 2 -2.769 -12.882 -3.388
9 HB2 CYS 2 HB2 CYS 2 -3.153 -11.845 -1.231
10 HB3 CYS 2 HB3 CYS 2 -2.231 -13.326 -1.017
11 H LYS 3 H LYS 3 0.051 -11.258 -4.073
12 HA LYS 3 HA LYS 3 -0.840 -8.552 -3.977
13 HB2 LYS 3 HB2 LYS 3 1.174 -8.028 -5.311
14 HB3 LYS 3 HB3 LYS 3 1.558 -9.023 -3.916
15 HG2 LYS 3 HG2 LYS 3 1.029 -10.436 -6.454
16 HG3 LYS 3 HG3 LYS 3 2.518 -9.497 -6.347
17 HD2 LYS 3 HD2 LYS 3 3.157 -10.724 -4.332
18 HD3 LYS 3 HD3 LYS 3 1.654 -11.643 -4.403
19 HE2 LYS 3 HE2 LYS 3 3.298 -13.052 -5.331
20 HE3 LYS 3 HE3 LYS 3 2.393 -12.412 -6.703
21 HZ1 LYS 3 HZ1 LYS 3 4.154 -10.787 -7.052
22 HZ2 LYS 3 HZ2 LYS 3 4.767 -12.361 -7.119
23 HZ3 LYS 3 HZ3 LYS 3 5.023 -11.413 -5.742
24 HA PRO 4 HA PRO 4 -2.940 -8.648 -7.958
25 HB2 PRO 4 HB2 PRO 4 -3.550 -5.906 -7.962
26 HB3 PRO 4 HB3 PRO 4 -4.519 -7.185 -7.215
27 HG2 PRO 4 HG2 PRO 4 -3.203 -5.118 -5.864
28 HG3 PRO 4 HG3 PRO 4 -3.900 -6.575 -5.139
29 HD2 PRO 4 HD2 PRO 4 -1.060 -6.000 -5.867
30 HD3 PRO 4 HD3 PRO 4 -1.718 -6.915 -4.494
31 H ASN 5 H ASN 5 -0.207 -6.639 -7.387
32 HA ASN 5 HA ASN 5 1.201 -5.371 -8.626
33 HB2 ASN 5 HB2 ASN 5 1.421 -6.841 -11.049
34 HB3 ASN 5 HB3 ASN 5 2.531 -6.801 -9.690
35 HD21 ASN 5 HD21 ASN 5 2.622 -8.501 -8.308
36 HD22 ASN 5 HD22 ASN 5 1.776 -9.987 -8.559
37 H GLY 6 H GLY 6 0.403 -3.491 -9.122
38 HA2 GLY 6 HA2 GLY 6 0.069 -1.970 -10.990
39 HA3 GLY 6 HA3 GLY 6 -0.970 -3.189 -11.715
40 H ALA 7 H ALA 7 -1.323 -2.825 -8.327
41 HA ALA 7 HA ALA 7 -3.918 -1.504 -8.729
42 HB1 ALA 7 HB1 ALA 7 -4.547 -2.380 -6.574
43 HB2 ALA 7 HB2 ALA 7 -2.901 -2.942 -6.284
44 HB3 ALA 7 HB3 ALA 7 -3.875 -3.680 -7.556
45 H LYS 8 H LYS 8 -4.533 0.326 -7.574
46 HA LYS 8 HA LYS 8 -2.327 1.991 -6.690
47 HB2 LYS 8 HB2 LYS 8 -4.947 2.408 -7.823
48 HB3 LYS 8 HB3 LYS 8 -4.709 3.421 -6.407
49 HG2 LYS 8 HG2 LYS 8 -2.897 4.533 -7.355
50 HG3 LYS 8 HG3 LYS 8 -2.651 3.280 -8.576
51 HD2 LYS 8 HD2 LYS 8 -4.722 3.903 -9.673
52 HD3 LYS 8 HD3 LYS 8 -5.049 5.104 -8.422
53 HE2 LYS 8 HE2 LYS 8 -4.177 6.315 -10.247
54 HE3 LYS 8 HE3 LYS 8 -2.853 6.186 -9.091
55 HZ1 LYS 8 HZ1 LYS 8 -1.951 4.354 -10.387
56 HZ2 LYS 8 HZ2 LYS 8 -2.106 5.741 -11.342
57 HZ3 LYS 8 HZ3 LYS 8 -3.222 4.480 -11.496
58 H CYS 9 H CYS 9 -1.892 2.641 -4.725
59 HA CYS 9 HA CYS 9 -3.535 1.694 -2.467
60 HB2 CYS 9 HB2 CYS 9 -0.654 2.577 -2.705
61 HB3 CYS 9 HB3 CYS 9 -1.438 2.339 -1.153
62 H THR 10 H THR 10 -4.095 3.134 -0.788
63 HA THR 10 HA THR 10 -3.585 5.980 -1.149
64 HB THR 10 HB THR 10 -6.101 6.415 -0.715
65 HG1 THR 10 HG1 THR 10 -6.061 3.712 -1.152
66 HG21 THR 10 HG21 THR 10 -6.571 6.438 -3.126
67 HG22 THR 10 HG22 THR 10 -5.161 5.415 -3.407
68 HG23 THR 10 HG23 THR 10 -4.954 7.049 -2.774
69 H GLU 11 H GLU 11 -4.508 7.266 0.694
70 HA GLU 11 HA GLU 11 -3.483 6.480 3.123
71 HB2 GLU 11 HB2 GLU 11 -4.049 8.797 2.416
72 HB3 GLU 11 HB3 GLU 11 -5.743 8.434 2.703
73 HG2 GLU 11 HG2 GLU 11 -5.385 8.197 5.032
74 HG3 GLU 11 HG3 GLU 11 -3.635 8.243 4.830
75 H ILE 12 H ILE 12 -6.585 5.706 1.832
76 HA ILE 12 HA ILE 12 -7.348 4.433 4.369
77 HB ILE 12 HB ILE 12 -9.684 4.678 2.812
78 HG12 ILE 12 HG12 ILE 12 -9.786 7.276 2.847
79 HG13 ILE 12 HG13 ILE 12 -8.029 7.200 2.813
80 HG21 ILE 12 HG21 ILE 12 -10.433 6.058 4.698
81 HG22 ILE 12 HG22 ILE 12 -8.766 6.157 5.266
82 HG23 ILE 12 HG23 ILE 12 -9.590 4.599 5.218
83 HD11 ILE 12 HD11 ILE 12 -9.890 6.050 0.743
84 HD12 ILE 12 HD12 ILE 12 -8.129 5.960 0.709
85 HD13 ILE 12 HD13 ILE 12 -8.933 7.525 0.590
86 H SER 13 H SER 13 -6.322 3.666 1.260
87 HA SER 13 HA SER 13 -7.554 1.023 1.507
88 HB2 SER 13 HB2 SER 13 -7.457 2.595 -1.071
89 HB3 SER 13 HB3 SER 13 -7.972 0.915 -0.927
90 HG SER 13 HG SER 13 -9.650 2.638 -0.896
91 H ILE 14 H ILE 14 -6.394 -0.693 0.942
92 HA ILE 14 HA ILE 14 -3.901 -0.488 -0.503
93 HB ILE 14 HB ILE 14 -2.543 -1.642 1.240
94 HG12 ILE 14 HG12 ILE 14 -3.530 -1.012 3.680
95 HG13 ILE 14 HG13 ILE 14 -5.032 -1.369 2.831
96 HG21 ILE 14 HG21 ILE 14 -2.257 0.721 0.884
97 HG22 ILE 14 HG22 ILE 14 -2.049 0.328 2.592
98 HG23 ILE 14 HG23 ILE 14 -3.548 1.074 2.033
99 HD11 ILE 14 HD11 ILE 14 -4.170 -3.331 3.976
100 HD12 ILE 14 HD12 ILE 14 -2.661 -3.208 3.070
101 HD13 ILE 14 HD13 ILE 14 -4.169 -3.568 2.228
102 HA PRO 15 HA PRO 15 -5.342 -4.642 -1.488
103 HB2 PRO 15 HB2 PRO 15 -3.317 -5.471 -3.066
104 HB3 PRO 15 HB3 PRO 15 -4.425 -4.191 -3.588
105 HG2 PRO 15 HG2 PRO 15 -1.674 -3.972 -2.474
106 HG3 PRO 15 HG3 PRO 15 -2.415 -3.112 -3.842
107 HD2 PRO 15 HD2 PRO 15 -2.172 -2.036 -1.334
108 HD3 PRO 15 HD3 PRO 15 -3.432 -1.566 -2.492
109 HA PRO 16 HA PRO 16 -3.199 -7.500 1.239
110 HB2 PRO 16 HB2 PRO 16 -2.668 -9.689 -0.599
111 HB3 PRO 16 HB3 PRO 16 -3.932 -9.568 0.635
112 HG2 PRO 16 HG2 PRO 16 -4.464 -9.577 -2.017
113 HG3 PRO 16 HG3 PRO 16 -5.475 -8.739 -0.825
114 HD2 PRO 16 HD2 PRO 16 -3.385 -7.620 -2.643
115 HD3 PRO 16 HD3 PRO 16 -4.996 -6.978 -2.251
116 H CYS 17 H CYS 17 -1.475 -7.895 -1.870
117 HA CYS 17 HA CYS 17 0.697 -8.241 -2.406
118 HB2 CYS 17 HB2 CYS 17 1.381 -6.117 -0.396
119 HB3 CYS 17 HB3 CYS 17 2.160 -6.458 -1.937
120 H CYS 18 H CYS 18 1.372 -10.215 -1.855
121 HA CYS 18 HA CYS 18 2.206 -10.797 0.869
122 HB2 CYS 18 HB2 CYS 18 1.834 -12.481 -1.591
123 HB3 CYS 18 HB3 CYS 18 2.655 -13.111 -0.169
124 H SER 19 H SER 19 3.595 -10.240 -2.264
125 HA SER 19 HA SER 19 6.278 -10.347 -1.068
126 HB2 SER 19 HB2 SER 19 5.570 -11.376 -3.827
127 HB3 SER 19 HB3 SER 19 7.193 -11.304 -3.141
128 HG SER 19 HG SER 19 5.646 -13.317 -2.981
129 H ASN 20 H ASN 20 3.991 -8.715 -2.959
130 HA ASN 20 HA ASN 20 5.886 -6.956 -4.273
131 HB2 ASN 20 HB2 ASN 20 2.888 -7.193 -4.280
132 HB3 ASN 20 HB3 ASN 20 3.697 -5.826 -5.025
133 HD21 ASN 20 HD21 ASN 20 5.028 -9.077 -5.028
134 HD22 ASN 20 HD22 ASN 20 4.832 -9.356 -6.721
135 H PHE 21 H PHE 21 4.875 -4.493 -4.172
136 HA PHE 21 HA PHE 21 4.886 -3.791 -1.310
137 HB2 PHE 21 HB2 PHE 21 6.078 -1.708 -1.969
138 HB3 PHE 21 HB3 PHE 21 7.003 -3.165 -2.283
139 HD1 PHE 21 HD1 PHE 21 4.837 -0.628 -3.961
140 HD2 PHE 21 HD2 PHE 21 7.900 -3.550 -4.383
141 HE1 PHE 21 HE1 PHE 21 5.260 0.148 -6.258
142 HE2 PHE 21 HE2 PHE 21 8.324 -2.786 -6.681
143 HZ PHE 21 HZ PHE 21 7.005 -0.932 -7.622
144 H CYS 22 H CYS 22 3.753 -1.941 -0.661
145 HA CYS 22 HA CYS 22 1.730 -0.968 -2.569
146 HB2 CYS 22 HB2 CYS 22 0.572 -2.281 -0.917
147 HB3 CYS 22 HB3 CYS 22 1.470 -1.530 0.396
148 H LEU 23 H LEU 23 2.306 0.994 -3.161
149 HA LEU 23 HA LEU 23 4.060 2.606 -1.576
150 HB2 LEU 23 HB2 LEU 23 2.800 2.900 -4.269
151 HB3 LEU 23 HB3 LEU 23 3.614 4.261 -3.529
152 HG LEU 23 HG LEU 23 4.856 1.591 -4.224
153 HD11 LEU 23 HD11 LEU 23 4.389 2.976 -6.159
154 HD12 LEU 23 HD12 LEU 23 6.124 2.895 -5.862
155 HD13 LEU 23 HD13 LEU 23 5.217 4.340 -5.410
156 HD21 LEU 23 HD21 LEU 23 7.002 3.008 -3.736
157 HD22 LEU 23 HD22 LEU 23 6.141 2.243 -2.403
158 HD23 LEU 23 HD23 LEU 23 5.918 3.963 -2.723
159 H ARG 24 H ARG 24 2.166 2.341 0.057
160 HA ARG 24 HA ARG 24 0.328 4.617 -0.022
161 HB2 ARG 24 HB2 ARG 24 -0.131 2.113 0.786
162 HB3 ARG 24 HB3 ARG 24 0.499 2.730 2.301
163 HG2 ARG 24 HG2 ARG 24 -1.760 4.109 0.878
164 HG3 ARG 24 HG3 ARG 24 -2.044 2.726 1.928
165 HD2 ARG 24 HD2 ARG 24 -2.354 4.489 3.379
166 HD3 ARG 24 HD3 ARG 24 -0.664 4.088 3.667
167 HE ARG 24 HE ARG 24 -0.570 5.993 1.722
168 HH11 ARG 24 HH11 ARG 24 -2.002 5.885 4.927
169 HH12 ARG 24 HH12 ARG 24 -1.832 7.589 5.186
170 HH21 ARG 24 HH21 ARG 24 -0.370 8.226 2.080
171 HH22 ARG 24 HH22 ARG 24 -0.910 8.911 3.576
172 H TYR 25 H TYR 25 2.749 5.583 -0.038
173 HA TYR 25 HA TYR 25 4.129 5.866 2.409
174 HB2 TYR 25 HB2 TYR 25 4.780 6.358 -0.136
175 HB3 TYR 25 HB3 TYR 25 4.358 7.996 0.350
176 HD1 TYR 25 HD1 TYR 25 6.690 5.209 0.872
177 HD2 TYR 25 HD2 TYR 25 5.735 9.220 1.921
178 HE1 TYR 25 HE1 TYR 25 8.920 5.473 1.877
179 HE2 TYR 25 HE2 TYR 25 7.960 9.494 2.928
180 HH TYR 25 HH TYR 25 10.484 7.281 2.439
181 H ALA 26 H ALA 26 4.466 7.899 3.607
182 HA ALA 26 HA ALA 26 2.023 9.036 4.499
183 HB1 ALA 26 HB1 ALA 26 3.387 10.366 5.989
184 HB2 ALA 26 HB2 ALA 26 4.834 9.939 5.074
185 HB3 ALA 26 HB3 ALA 26 3.952 8.695 5.960
186 H GLY 27 H GLY 27 4.157 9.914 1.975
187 HA2 GLY 27 HA2 GLY 27 3.026 12.634 1.821
188 HA3 GLY 27 HA3 GLY 27 4.539 12.132 1.083
189 H GLN 28 H GLN 28 2.708 9.578 0.469
190 HA GLN 28 HA GLN 28 1.917 10.561 -2.173
191 HB2 GLN 28 HB2 GLN 28 2.366 7.787 -1.078
192 HB3 GLN 28 HB3 GLN 28 1.635 8.073 -2.651
193 HG2 GLN 28 HG2 GLN 28 3.656 9.260 -3.366
194 HG3 GLN 28 HG3 GLN 28 4.391 8.941 -1.797
195 HE21 GLN 28 HE21 GLN 28 3.380 7.573 -4.824
196 HE22 GLN 28 HE22 GLN 28 4.217 6.070 -4.659
197 H LYS 29 H LYS 29 -0.109 10.112 -3.066
198 HA LYS 29 HA LYS 29 -2.235 9.458 -1.133
199 HB2 LYS 29 HB2 LYS 29 -2.174 11.575 -3.282
200 HB3 LYS 29 HB3 LYS 29 -3.680 11.000 -2.582
201 HG2 LYS 29 HG2 LYS 29 -2.939 11.727 -0.372
202 HG3 LYS 29 HG3 LYS 29 -1.417 12.290 -1.067
203 HD2 LYS 29 HD2 LYS 29 -2.647 13.878 -2.469
204 HD3 LYS 29 HD3 LYS 29 -4.167 13.317 -1.768
205 HE2 LYS 29 HE2 LYS 29 -3.421 14.056 0.440
206 HE3 LYS 29 HE3 LYS 29 -1.898 14.609 -0.256
207 HZ1 LYS 29 HZ1 LYS 29 -3.134 16.190 -1.603
208 HZ2 LYS 29 HZ2 LYS 29 -3.449 16.434 0.040
209 HZ3 LYS 29 HZ3 LYS 29 -4.593 15.659 -0.934
210 H SER 30 H SER 30 -0.627 8.253 -3.664
211 HA SER 30 HA SER 30 -2.661 6.408 -4.422
212 HB2 SER 30 HB2 SER 30 -1.751 8.419 -6.509
213 HB3 SER 30 HB3 SER 30 -2.601 6.921 -6.883
214 HG SER 30 HG SER 30 -4.348 8.019 -6.536
215 H GLY 31 H GLY 31 -1.206 4.871 -3.775
216 HA2 GLY 31 HA2 GLY 31 1.439 4.771 -5.011
217 HA3 GLY 31 HA3 GLY 31 0.857 3.744 -3.712
218 H THR 32 H THR 32 1.928 2.039 -5.121
219 HA THR 32 HA THR 32 -0.126 0.810 -6.727
220 HB THR 32 HB THR 32 0.803 2.112 -8.501
221 HG1 THR 32 HG1 THR 32 1.594 -0.601 -8.493
222 HG21 THR 32 HG21 THR 32 3.481 1.260 -7.437
223 HG22 THR 32 HG22 THR 32 2.903 2.880 -7.832
224 HG23 THR 32 HG23 THR 32 3.293 1.744 -9.122
225 H CYS 33 H CYS 33 -0.209 -1.133 -5.820
226 HA CYS 33 HA CYS 33 2.038 -2.473 -4.723
227 HB2 CYS 33 HB2 CYS 33 -0.279 -2.989 -3.987
228 HB3 CYS 33 HB3 CYS 33 -0.592 -3.743 -5.547
229 H ALA 34 H ALA 34 3.635 -3.136 -5.808
230 HA ALA 34 HA ALA 34 3.374 -4.603 -8.314
231 HB1 ALA 34 HB1 ALA 34 5.198 -3.228 -9.299
232 HB2 ALA 34 HB2 ALA 34 5.073 -2.144 -7.913
233 HB3 ALA 34 HB3 ALA 34 3.712 -2.320 -9.018
234 H ASN 35 H ASN 35 5.472 -5.651 -8.898
235 HA ASN 35 HA ASN 35 6.752 -6.633 -6.460
236 HB2 ASN 35 HB2 ASN 35 7.718 -8.395 -8.092
237 HB3 ASN 35 HB3 ASN 35 6.016 -8.487 -7.672
238 HD21 ASN 35 HD21 ASN 35 4.582 -8.583 -9.270
239 HD22 ASN 35 HD22 ASN 35 4.916 -8.282 -10.938
240 H ARG 36 H ARG 36 8.840 -6.431 -5.989
241 HA ARG 36 HA ARG 36 10.428 -4.645 -7.686
242 HB2 ARG 36 HB2 ARG 36 9.955 -4.650 -4.969
243 HB3 ARG 36 HB3 ARG 36 11.553 -5.373 -5.084
244 HG2 ARG 36 HG2 ARG 36 12.382 -3.449 -6.283
245 HG3 ARG 36 HG3 ARG 36 10.767 -2.736 -6.306
246 HD2 ARG 36 HD2 ARG 36 10.800 -2.708 -3.827
247 HD3 ARG 36 HD3 ARG 36 12.462 -3.296 -3.875
248 HE ARG 36 HE ARG 36 12.470 -1.041 -5.426
249 HH11 ARG 36 HH11 ARG 36 11.606 -1.715 -2.089
250 HH12 ARG 36 HH12 ARG 36 12.027 -0.126 -1.540
251 HH21 ARG 36 HH21 ARG 36 12.823 1.425 -3.009
252 HH22 ARG 36 HH22 ARG 36 13.012 1.031 -4.685
Start of MODEL 5
1 H PCA 1 H3 PCA 1 1.164 -13.406 -5.392
2 HA PCA 1 HA PCA 1 0.056 -15.576 -5.356
3 HB2 PCA 1 HB2 PCA 1 0.137 -15.988 -2.533
4 HB3 PCA 1 HB3 PCA 1 0.793 -17.028 -3.817
5 HG2 PCA 1 HG2 PCA 1 2.186 -15.248 -2.047
6 HG3 PCA 1 HG3 PCA 1 2.837 -16.428 -3.199
7 H CYS 2 H CYS 2 0.121 -12.727 -3.446
8 HA CYS 2 HA CYS 2 -2.814 -12.771 -3.212
9 HB2 CYS 2 HB2 CYS 2 -1.168 -11.380 -1.131
10 HB3 CYS 2 HB3 CYS 2 -2.804 -12.015 -1.015
11 H LYS 3 H LYS 3 0.000 -11.128 -4.172
12 HA LYS 3 HA LYS 3 -1.062 -8.463 -4.116
13 HB2 LYS 3 HB2 LYS 3 1.078 -8.308 -5.830
14 HB3 LYS 3 HB3 LYS 3 1.151 -8.060 -4.102
15 HG2 LYS 3 HG2 LYS 3 2.912 -9.525 -4.628
16 HG3 LYS 3 HG3 LYS 3 1.666 -10.530 -3.890
17 HD2 LYS 3 HD2 LYS 3 1.015 -11.424 -5.983
18 HD3 LYS 3 HD3 LYS 3 1.924 -10.200 -6.871
19 HE2 LYS 3 HE2 LYS 3 4.012 -11.150 -6.126
20 HE3 LYS 3 HE3 LYS 3 3.159 -12.305 -5.101
21 HZ1 LYS 3 HZ1 LYS 3 3.019 -12.188 -8.066
22 HZ2 LYS 3 HZ2 LYS 3 2.203 -13.299 -7.086
23 HZ3 LYS 3 HZ3 LYS 3 3.892 -13.323 -7.163
24 HA PRO 4 HA PRO 4 -2.832 -8.672 -8.227
25 HB2 PRO 4 HB2 PRO 4 -3.423 -5.904 -8.289
26 HB3 PRO 4 HB3 PRO 4 -4.467 -7.189 -7.662
27 HG2 PRO 4 HG2 PRO 4 -3.345 -5.160 -6.139
28 HG3 PRO 4 HG3 PRO 4 -3.997 -6.682 -5.510
29 HD2 PRO 4 HD2 PRO 4 -1.150 -5.950 -6.104
30 HD3 PRO 4 HD3 PRO 4 -1.822 -6.854 -4.728
31 H ASN 5 H ASN 5 -0.122 -6.693 -7.506
32 HA ASN 5 HA ASN 5 1.361 -5.428 -8.665
33 HB2 ASN 5 HB2 ASN 5 1.824 -6.880 -11.025
34 HB3 ASN 5 HB3 ASN 5 2.729 -6.964 -9.524
35 HD21 ASN 5 HD21 ASN 5 2.389 -8.676 -8.125
36 HD22 ASN 5 HD22 ASN 5 1.565 -10.114 -8.611
37 H GLY 6 H GLY 6 0.414 -3.586 -9.152
38 HA2 GLY 6 HA2 GLY 6 0.261 -2.091 -11.115
39 HA3 GLY 6 HA3 GLY 6 -0.779 -3.310 -11.841
40 H ALA 7 H ALA 7 -1.231 -2.900 -8.481
41 HA ALA 7 HA ALA 7 -3.800 -1.570 -8.955
42 HB1 ALA 7 HB1 ALA 7 -2.759 -3.019 -6.522
43 HB2 ALA 7 HB2 ALA 7 -3.859 -3.672 -7.739
44 HB3 ALA 7 HB3 ALA 7 -4.380 -2.348 -6.699
45 H LYS 8 H LYS 8 -4.481 -0.167 -6.884
46 HA LYS 8 HA LYS 8 -2.302 1.758 -6.443
47 HB2 LYS 8 HB2 LYS 8 -5.090 2.058 -7.233
48 HB3 LYS 8 HB3 LYS 8 -4.641 3.105 -5.894
49 HG2 LYS 8 HG2 LYS 8 -3.201 4.337 -7.154
50 HG3 LYS 8 HG3 LYS 8 -2.820 2.990 -8.232
51 HD2 LYS 8 HD2 LYS 8 -4.950 3.196 -9.329
52 HD3 LYS 8 HD3 LYS 8 -5.465 4.432 -8.180
53 HE2 LYS 8 HE2 LYS 8 -3.686 5.913 -8.987
54 HE3 LYS 8 HE3 LYS 8 -3.177 4.675 -10.134
55 HZ1 LYS 8 HZ1 LYS 8 -5.339 4.833 -11.205
56 HZ2 LYS 8 HZ2 LYS 8 -4.567 6.338 -11.192
57 HZ3 LYS 8 HZ3 LYS 8 -5.824 6.024 -10.104
58 H CYS 9 H CYS 9 -2.013 2.729 -4.505
59 HA CYS 9 HA CYS 9 -3.365 1.555 -2.145
60 HB2 CYS 9 HB2 CYS 9 -0.491 2.408 -2.569
61 HB3 CYS 9 HB3 CYS 9 -1.173 2.153 -0.970
62 H THR 10 H THR 10 -3.900 2.975 -0.475
63 HA THR 10 HA THR 10 -3.302 5.809 -0.750
64 HB THR 10 HB THR 10 -5.818 6.305 -0.326
65 HG1 THR 10 HG1 THR 10 -5.839 3.639 -1.212
66 HG21 THR 10 HG21 THR 10 -4.603 7.014 -2.322
67 HG22 THR 10 HG22 THR 10 -6.227 6.473 -2.743
68 HG23 THR 10 HG23 THR 10 -4.842 5.424 -3.047
69 H GLU 11 H GLU 11 -4.141 7.077 1.113
70 HA GLU 11 HA GLU 11 -3.213 6.164 3.534
71 HB2 GLU 11 HB2 GLU 11 -3.608 8.529 2.895
72 HB3 GLU 11 HB3 GLU 11 -5.331 8.272 3.115
73 HG2 GLU 11 HG2 GLU 11 -5.073 7.951 5.447
74 HG3 GLU 11 HG3 GLU 11 -3.318 7.880 5.306
75 H ILE 12 H ILE 12 -6.326 5.592 2.174
76 HA ILE 12 HA ILE 12 -7.213 4.332 4.679
77 HB ILE 12 HB ILE 12 -9.497 4.720 3.074
78 HG12 ILE 12 HG12 ILE 12 -9.466 7.317 3.139
79 HG13 ILE 12 HG13 ILE 12 -7.715 7.152 3.147
80 HG21 ILE 12 HG21 ILE 12 -8.560 6.125 5.566
81 HG22 ILE 12 HG22 ILE 12 -9.457 4.608 5.483
82 HG23 ILE 12 HG23 ILE 12 -10.216 6.112 4.961
83 HD11 ILE 12 HD11 ILE 12 -8.555 7.550 0.906
84 HD12 ILE 12 HD12 ILE 12 -9.577 6.118 1.019
85 HD13 ILE 12 HD13 ILE 12 -7.821 5.951 1.024
86 H SER 13 H SER 13 -6.199 3.581 1.550
87 HA SER 13 HA SER 13 -7.532 0.984 1.748
88 HB2 SER 13 HB2 SER 13 -7.369 2.607 -0.796
89 HB3 SER 13 HB3 SER 13 -7.950 0.945 -0.689
90 HG SER 13 HG SER 13 -9.089 3.028 0.844
91 H ILE 14 H ILE 14 -6.411 -0.764 1.153
92 HA ILE 14 HA ILE 14 -3.909 -0.549 -0.276
93 HB ILE 14 HB ILE 14 -2.593 -1.819 1.422
94 HG12 ILE 14 HG12 ILE 14 -3.555 -1.238 3.878
95 HG13 ILE 14 HG13 ILE 14 -5.072 -1.498 3.023
96 HG21 ILE 14 HG21 ILE 14 -2.040 0.099 2.829
97 HG22 ILE 14 HG22 ILE 14 -3.509 0.908 2.281
98 HG23 ILE 14 HG23 ILE 14 -2.223 0.539 1.130
99 HD11 ILE 14 HD11 ILE 14 -2.784 -3.446 3.195
100 HD12 ILE 14 HD12 ILE 14 -4.299 -3.711 2.333
101 HD13 ILE 14 HD13 ILE 14 -4.302 -3.538 4.089
102 HA PRO 15 HA PRO 15 -5.370 -4.592 -1.592
103 HB2 PRO 15 HB2 PRO 15 -3.211 -5.342 -3.064
104 HB3 PRO 15 HB3 PRO 15 -4.329 -4.079 -3.611
105 HG2 PRO 15 HG2 PRO 15 -1.658 -3.804 -2.323
106 HG3 PRO 15 HG3 PRO 15 -2.353 -2.915 -3.695
107 HD2 PRO 15 HD2 PRO 15 -2.274 -1.916 -1.176
108 HD3 PRO 15 HD3 PRO 15 -3.529 -1.491 -2.357
109 HA PRO 16 HA PRO 16 -3.417 -7.623 1.094
110 HB2 PRO 16 HB2 PRO 16 -3.004 -9.761 -0.837
111 HB3 PRO 16 HB3 PRO 16 -4.264 -9.623 0.401
112 HG2 PRO 16 HG2 PRO 16 -4.794 -9.493 -2.245
113 HG3 PRO 16 HG3 PRO 16 -5.750 -8.634 -1.021
114 HD2 PRO 16 HD2 PRO 16 -3.572 -7.584 -2.787
115 HD3 PRO 16 HD3 PRO 16 -5.148 -6.860 -2.394
116 H CYS 17 H CYS 17 -1.725 -8.229 -2.001
117 HA CYS 17 HA CYS 17 0.424 -8.661 -2.527
118 HB2 CYS 17 HB2 CYS 17 1.220 -6.415 -0.703
119 HB3 CYS 17 HB3 CYS 17 1.903 -6.860 -2.262
120 H CYS 18 H CYS 18 1.198 -10.518 -1.937
121 HA CYS 18 HA CYS 18 2.127 -10.922 0.810
122 HB2 CYS 18 HB2 CYS 18 1.347 -12.758 -1.417
123 HB3 CYS 18 HB3 CYS 18 2.440 -13.345 -0.168
124 H SER 19 H SER 19 3.330 -10.220 -2.306
125 HA SER 19 HA SER 19 6.067 -10.679 -1.355
126 HB2 SER 19 HB2 SER 19 5.111 -11.438 -4.120
127 HB3 SER 19 HB3 SER 19 6.774 -11.534 -3.546
128 HG SER 19 HG SER 19 5.703 -13.551 -3.403
129 H ASN 20 H ASN 20 3.845 -8.845 -3.248
130 HA ASN 20 HA ASN 20 5.864 -7.108 -4.385
131 HB2 ASN 20 HB2 ASN 20 2.856 -7.155 -4.508
132 HB3 ASN 20 HB3 ASN 20 3.784 -5.830 -5.181
133 HD21 ASN 20 HD21 ASN 20 4.797 -9.206 -5.235
134 HD22 ASN 20 HD22 ASN 20 4.675 -9.401 -6.947
135 H PHE 21 H PHE 21 4.830 -4.586 -4.205
136 HA PHE 21 HA PHE 21 4.893 -4.023 -1.314
137 HB2 PHE 21 HB2 PHE 21 6.121 -1.949 -1.835
138 HB3 PHE 21 HB3 PHE 21 7.003 -3.377 -2.340
139 HD1 PHE 21 HD1 PHE 21 4.743 -0.712 -3.704
140 HD2 PHE 21 HD2 PHE 21 7.912 -3.456 -4.452
141 HE1 PHE 21 HE1 PHE 21 5.100 0.298 -5.918
142 HE2 PHE 21 HE2 PHE 21 8.264 -2.455 -6.668
143 HZ PHE 21 HZ PHE 21 6.860 -0.572 -7.403
144 H CYS 22 H CYS 22 3.811 -2.148 -0.573
145 HA CYS 22 HA CYS 22 1.716 -1.144 -2.385
146 HB2 CYS 22 HB2 CYS 22 0.687 -2.534 -0.670
147 HB3 CYS 22 HB3 CYS 22 1.545 -1.666 0.597
148 H LEU 23 H LEU 23 2.323 0.802 -2.984
149 HA LEU 23 HA LEU 23 4.081 2.424 -1.412
150 HB2 LEU 23 HB2 LEU 23 2.835 2.620 -4.104
151 HB3 LEU 23 HB3 LEU 23 3.504 4.070 -3.391
152 HG LEU 23 HG LEU 23 5.019 1.508 -3.939
153 HD11 LEU 23 HD11 LEU 23 4.926 4.155 -5.362
154 HD12 LEU 23 HD12 LEU 23 4.507 2.565 -5.997
155 HD13 LEU 23 HD13 LEU 23 6.185 2.949 -5.621
156 HD21 LEU 23 HD21 LEU 23 5.810 4.102 -2.650
157 HD22 LEU 23 HD22 LEU 23 6.995 3.168 -3.561
158 HD23 LEU 23 HD23 LEU 23 6.198 2.452 -2.162
159 H ARG 24 H ARG 24 2.157 2.147 0.229
160 HA ARG 24 HA ARG 24 0.199 4.288 0.099
161 HB2 ARG 24 HB2 ARG 24 -0.029 1.880 1.145
162 HB3 ARG 24 HB3 ARG 24 0.716 2.623 2.546
163 HG2 ARG 24 HG2 ARG 24 -1.728 3.854 1.320
164 HG3 ARG 24 HG3 ARG 24 -1.876 2.455 2.378
165 HD2 ARG 24 HD2 ARG 24 -2.123 4.179 3.879
166 HD3 ARG 24 HD3 ARG 24 -0.392 3.875 3.998
167 HE ARG 24 HE ARG 24 -0.766 5.813 2.035
168 HH11 ARG 24 HH11 ARG 24 -1.240 5.525 5.503
169 HH12 ARG 24 HH12 ARG 24 -1.006 7.217 5.791
170 HH21 ARG 24 HH21 ARG 24 -0.466 8.025 2.435
171 HH22 ARG 24 HH22 ARG 24 -0.568 8.629 4.055
172 H TYR 25 H TYR 25 2.245 5.671 -0.181
173 HA TYR 25 HA TYR 25 3.674 6.369 2.224
174 HB2 TYR 25 HB2 TYR 25 3.914 6.914 -0.642
175 HB3 TYR 25 HB3 TYR 25 4.325 8.292 0.375
176 HD1 TYR 25 HD1 TYR 25 6.281 8.261 1.783
177 HD2 TYR 25 HD2 TYR 25 5.224 4.847 -0.524
178 HE1 TYR 25 HE1 TYR 25 8.506 7.298 2.199
179 HE2 TYR 25 HE2 TYR 25 7.446 3.874 -0.116
180 HH TYR 25 HH TYR 25 9.709 4.634 0.477
181 H ALA 26 H ALA 26 3.826 8.594 3.001
182 HA ALA 26 HA ALA 26 1.211 9.789 3.305
183 HB1 ALA 26 HB1 ALA 26 3.849 10.589 4.510
184 HB2 ALA 26 HB2 ALA 26 2.678 9.486 5.233
185 HB3 ALA 26 HB3 ALA 26 2.258 11.181 4.990
186 H GLY 27 H GLY 27 3.974 10.319 1.354
187 HA2 GLY 27 HA2 GLY 27 3.116 13.071 0.720
188 HA3 GLY 27 HA3 GLY 27 4.729 12.435 0.444
189 H GLN 28 H GLN 28 1.979 10.467 -0.348
190 HA GLN 28 HA GLN 28 2.224 11.154 -3.189
191 HB2 GLN 28 HB2 GLN 28 2.396 8.422 -1.953
192 HB3 GLN 28 HB3 GLN 28 1.878 8.633 -3.620
193 HG2 GLN 28 HG2 GLN 28 4.007 9.785 -4.103
194 HG3 GLN 28 HG3 GLN 28 4.525 9.468 -2.447
195 HE21 GLN 28 HE21 GLN 28 5.106 7.397 -1.851
196 HE22 GLN 28 HE22 GLN 28 5.384 6.139 -3.001
197 H LYS 29 H LYS 29 0.341 9.464 -0.750
198 HA LYS 29 HA LYS 29 -1.875 9.146 -0.384
199 HB2 LYS 29 HB2 LYS 29 -2.077 11.581 -2.158
200 HB3 LYS 29 HB3 LYS 29 -3.487 10.827 -1.426
201 HG2 LYS 29 HG2 LYS 29 -2.553 11.230 0.796
202 HG3 LYS 29 HG3 LYS 29 -1.135 11.983 0.062
203 HD2 LYS 29 HD2 LYS 29 -2.568 13.700 -0.936
204 HD3 LYS 29 HD3 LYS 29 -3.984 12.945 -0.202
205 HE2 LYS 29 HE2 LYS 29 -3.049 13.362 2.021
206 HE3 LYS 29 HE3 LYS 29 -1.634 14.115 1.286
207 HZ1 LYS 29 HZ1 LYS 29 -4.431 15.088 1.047
208 HZ2 LYS 29 HZ2 LYS 29 -3.074 15.810 0.341
209 HZ3 LYS 29 HZ3 LYS 29 -3.227 15.768 2.024
210 H SER 30 H SER 30 -0.446 8.155 -3.008
211 HA SER 30 HA SER 30 -2.550 6.479 -3.902
212 HB2 SER 30 HB2 SER 30 -2.575 7.250 -6.300
213 HB3 SER 30 HB3 SER 30 -3.319 8.391 -5.182
214 HG SER 30 HG SER 30 -2.005 9.682 -6.274
215 H GLY 31 H GLY 31 -1.046 4.910 -3.387
216 HA2 GLY 31 HA2 GLY 31 1.480 4.855 -4.866
217 HA3 GLY 31 HA3 GLY 31 1.049 3.829 -3.508
218 H THR 32 H THR 32 1.911 2.073 -4.876
219 HA THR 32 HA THR 32 -0.226 0.835 -6.352
220 HB THR 32 HB THR 32 0.673 2.128 -8.180
221 HG1 THR 32 HG1 THR 32 1.264 -0.634 -8.186
222 HG21 THR 32 HG21 THR 32 3.070 1.670 -8.949
223 HG22 THR 32 HG22 THR 32 3.352 1.041 -7.326
224 HG23 THR 32 HG23 THR 32 2.868 2.723 -7.550
225 H CYS 33 H CYS 33 -0.249 -1.251 -5.947
226 HA CYS 33 HA CYS 33 1.981 -2.547 -4.681
227 HB2 CYS 33 HB2 CYS 33 -0.316 -3.153 -4.032
228 HB3 CYS 33 HB3 CYS 33 -0.613 -3.788 -5.645
229 H ALA 34 H ALA 34 3.638 -3.153 -5.729
230 HA ALA 34 HA ALA 34 3.488 -4.517 -8.301
231 HB1 ALA 34 HB1 ALA 34 5.120 -2.031 -7.803
232 HB2 ALA 34 HB2 ALA 34 3.744 -2.182 -8.896
233 HB3 ALA 34 HB3 ALA 34 5.242 -3.048 -9.237
234 H ASN 35 H ASN 35 5.733 -5.377 -8.910
235 HA ASN 35 HA ASN 35 6.846 -6.712 -6.610
236 HB2 ASN 35 HB2 ASN 35 7.348 -6.869 -9.573
237 HB3 ASN 35 HB3 ASN 35 8.422 -7.675 -8.436
238 HD21 ASN 35 HD21 ASN 35 5.271 -7.633 -9.869
239 HD22 ASN 35 HD22 ASN 35 4.755 -9.171 -9.276
240 H ARG 36 H ARG 36 8.905 -6.605 -5.800
241 HA ARG 36 HA ARG 36 10.333 -4.103 -6.342
242 HB2 ARG 36 HB2 ARG 36 9.553 -5.060 -3.981
243 HB3 ARG 36 HB3 ARG 36 11.093 -5.901 -4.087
244 HG2 ARG 36 HG2 ARG 36 12.249 -3.767 -4.348
245 HG3 ARG 36 HG3 ARG 36 10.706 -2.917 -4.256
246 HD2 ARG 36 HD2 ARG 36 11.638 -2.764 -2.099
247 HD3 ARG 36 HD3 ARG 36 10.399 -4.012 -1.989
248 HE ARG 36 HE ARG 36 12.823 -5.267 -2.564
249 HH11 ARG 36 HH11 ARG 36 11.403 -3.459 0.091
250 HH12 ARG 36 HH12 ARG 36 12.354 -4.259 1.296
251 HH21 ARG 36 HH21 ARG 36 13.854 -5.867 0.696
252 HH22 ARG 36 HH22 ARG 36 14.057 -6.302 -0.968
Start of MODEL 6
1 H PCA 1 H3 PCA 1 1.029 -13.380 -5.122
2 HA PCA 1 HA PCA 1 -0.112 -15.530 -5.017
3 HB2 PCA 1 HB2 PCA 1 -0.016 -15.867 -2.185
4 HB3 PCA 1 HB3 PCA 1 0.615 -16.951 -3.445
5 HG2 PCA 1 HG2 PCA 1 2.046 -15.145 -1.734
6 HG3 PCA 1 HG3 PCA 1 2.671 -16.366 -2.857
7 H CYS 2 H CYS 2 0.007 -12.621 -3.210
8 HA CYS 2 HA CYS 2 -2.925 -12.626 -2.934
9 HB2 CYS 2 HB2 CYS 2 -1.226 -11.185 -0.927
10 HB3 CYS 2 HB3 CYS 2 -2.875 -11.780 -0.768
11 H LYS 3 H LYS 3 -0.096 -11.032 -3.954
12 HA LYS 3 HA LYS 3 -1.141 -8.362 -4.016
13 HB2 LYS 3 HB2 LYS 3 0.998 -8.299 -5.741
14 HB3 LYS 3 HB3 LYS 3 1.084 -7.985 -4.023
15 HG2 LYS 3 HG2 LYS 3 2.818 -9.497 -4.481
16 HG3 LYS 3 HG3 LYS 3 1.552 -10.466 -3.729
17 HD2 LYS 3 HD2 LYS 3 0.904 -11.399 -5.808
18 HD3 LYS 3 HD3 LYS 3 1.850 -10.219 -6.715
19 HE2 LYS 3 HE2 LYS 3 3.910 -11.187 -5.864
20 HE3 LYS 3 HE3 LYS 3 2.991 -12.330 -4.887
21 HZ1 LYS 3 HZ1 LYS 3 2.982 -12.191 -7.855
22 HZ2 LYS 3 HZ2 LYS 3 2.099 -13.289 -6.920
23 HZ3 LYS 3 HZ3 LYS 3 3.789 -13.350 -6.923
24 HA PRO 4 HA PRO 4 -2.969 -8.808 -8.096
25 HB2 PRO 4 HB2 PRO 4 -3.608 -6.058 -8.306
26 HB3 PRO 4 HB3 PRO 4 -4.625 -7.322 -7.595
27 HG2 PRO 4 HG2 PRO 4 -3.517 -5.189 -6.206
28 HG3 PRO 4 HG3 PRO 4 -4.150 -6.677 -5.483
29 HD2 PRO 4 HD2 PRO 4 -1.314 -5.947 -6.125
30 HD3 PRO 4 HD3 PRO 4 -1.972 -6.789 -4.704
31 H ASN 5 H ASN 5 -0.249 -6.836 -7.501
32 HA ASN 5 HA ASN 5 1.241 -5.649 -8.710
33 HB2 ASN 5 HB2 ASN 5 1.574 -7.151 -11.073
34 HB3 ASN 5 HB3 ASN 5 2.550 -7.205 -9.615
35 HD21 ASN 5 HD21 ASN 5 2.230 -8.860 -8.131
36 HD22 ASN 5 HD22 ASN 5 1.371 -10.303 -8.538
37 H GLY 6 H GLY 6 0.420 -3.768 -9.219
38 HA2 GLY 6 HA2 GLY 6 0.269 -2.306 -11.203
39 HA3 GLY 6 HA3 GLY 6 -0.866 -3.475 -11.862
40 H ALA 7 H ALA 7 -1.222 -3.023 -8.508
41 HA ALA 7 HA ALA 7 -3.648 -1.430 -8.950
42 HB1 ALA 7 HB1 ALA 7 -4.440 -2.309 -6.850
43 HB2 ALA 7 HB2 ALA 7 -2.871 -3.046 -6.527
44 HB3 ALA 7 HB3 ALA 7 -3.869 -3.640 -7.856
45 H LYS 8 H LYS 8 -4.253 0.085 -7.139
46 HA LYS 8 HA LYS 8 -1.939 1.741 -6.479
47 HB2 LYS 8 HB2 LYS 8 -4.822 2.229 -6.939
48 HB3 LYS 8 HB3 LYS 8 -4.038 3.258 -5.747
49 HG2 LYS 8 HG2 LYS 8 -2.558 4.150 -7.314
50 HG3 LYS 8 HG3 LYS 8 -2.867 2.854 -8.473
51 HD2 LYS 8 HD2 LYS 8 -5.125 3.680 -8.827
52 HD3 LYS 8 HD3 LYS 8 -4.874 4.938 -7.615
53 HE2 LYS 8 HE2 LYS 8 -3.094 5.903 -8.994
54 HE3 LYS 8 HE3 LYS 8 -3.349 4.645 -10.203
55 HZ1 LYS 8 HZ1 LYS 8 -4.463 6.695 -10.815
56 HZ2 LYS 8 HZ2 LYS 8 -5.349 6.680 -9.375
57 HZ3 LYS 8 HZ3 LYS 8 -5.597 5.472 -10.532
58 H CYS 9 H CYS 9 -1.728 2.739 -4.441
59 HA CYS 9 HA CYS 9 -2.968 1.339 -2.162
60 HB2 CYS 9 HB2 CYS 9 -0.191 1.391 -2.965
61 HB3 CYS 9 HB3 CYS 9 -0.370 2.174 -1.400
62 H THR 10 H THR 10 -4.425 3.073 -2.063
63 HA THR 10 HA THR 10 -3.693 5.803 -1.884
64 HB THR 10 HB THR 10 -6.205 4.866 -0.572
65 HG1 THR 10 HG1 THR 10 -5.454 3.969 -2.983
66 HG21 THR 10 HG21 THR 10 -7.154 6.767 -1.802
67 HG22 THR 10 HG22 THR 10 -5.596 7.039 -2.583
68 HG23 THR 10 HG23 THR 10 -5.760 7.259 -0.841
69 H GLU 11 H GLU 11 -4.113 7.194 0.019
70 HA GLU 11 HA GLU 11 -2.497 6.541 2.201
71 HB2 GLU 11 HB2 GLU 11 -3.072 8.839 1.400
72 HB3 GLU 11 HB3 GLU 11 -4.665 8.644 2.112
73 HG2 GLU 11 HG2 GLU 11 -3.769 8.567 4.305
74 HG3 GLU 11 HG3 GLU 11 -2.120 8.455 3.692
75 H ILE 12 H ILE 12 -5.859 5.964 1.692
76 HA ILE 12 HA ILE 12 -6.149 4.926 4.417
77 HB ILE 12 HB ILE 12 -8.519 5.615 2.732
78 HG12 ILE 12 HG12 ILE 12 -7.193 7.680 2.617
79 HG13 ILE 12 HG13 ILE 12 -8.612 7.914 3.621
80 HG21 ILE 12 HG21 ILE 12 -8.903 4.415 4.767
81 HG22 ILE 12 HG22 ILE 12 -9.558 6.048 4.909
82 HG23 ILE 12 HG23 ILE 12 -8.032 5.637 5.694
83 HD11 ILE 12 HD11 ILE 12 -6.628 9.036 4.521
84 HD12 ILE 12 HD12 ILE 12 -5.805 7.480 4.644
85 HD13 ILE 12 HD13 ILE 12 -7.235 7.801 5.625
86 H SER 13 H SER 13 -5.806 3.935 1.206
87 HA SER 13 HA SER 13 -7.144 1.403 1.819
88 HB2 SER 13 HB2 SER 13 -7.274 2.813 -0.853
89 HB3 SER 13 HB3 SER 13 -7.925 1.210 -0.510
90 HG SER 13 HG SER 13 -8.880 2.875 1.314
91 H ILE 14 H ILE 14 -6.162 -0.433 1.199
92 HA ILE 14 HA ILE 14 -3.840 -0.340 -0.528
93 HB ILE 14 HB ILE 14 -2.366 -1.561 1.100
94 HG12 ILE 14 HG12 ILE 14 -3.027 -0.776 3.592
95 HG13 ILE 14 HG13 ILE 14 -4.643 -1.016 2.935
96 HG21 ILE 14 HG21 ILE 14 -3.125 1.261 1.799
97 HG22 ILE 14 HG22 ILE 14 -1.933 0.742 0.607
98 HG23 ILE 14 HG23 ILE 14 -1.649 0.452 2.325
99 HD11 ILE 14 HD11 ILE 14 -3.844 -3.014 4.057
100 HD12 ILE 14 HD12 ILE 14 -2.438 -3.064 2.992
101 HD13 ILE 14 HD13 ILE 14 -4.055 -3.309 2.330
102 HA PRO 15 HA PRO 15 -5.493 -4.391 -1.585
103 HB2 PRO 15 HB2 PRO 15 -3.403 -5.279 -3.108
104 HB3 PRO 15 HB3 PRO 15 -4.539 -4.044 -3.681
105 HG2 PRO 15 HG2 PRO 15 -1.827 -3.700 -2.489
106 HG3 PRO 15 HG3 PRO 15 -2.534 -2.933 -3.928
107 HD2 PRO 15 HD2 PRO 15 -2.410 -1.662 -1.580
108 HD3 PRO 15 HD3 PRO 15 -3.778 -1.442 -2.692
109 HA PRO 16 HA PRO 16 -3.535 -7.385 1.138
110 HB2 PRO 16 HB2 PRO 16 -3.082 -9.549 -0.767
111 HB3 PRO 16 HB3 PRO 16 -4.320 -9.427 0.494
112 HG2 PRO 16 HG2 PRO 16 -4.925 -9.348 -2.126
113 HG3 PRO 16 HG3 PRO 16 -5.847 -8.449 -0.903
114 HD2 PRO 16 HD2 PRO 16 -3.697 -7.464 -2.740
115 HD3 PRO 16 HD3 PRO 16 -5.271 -6.728 -2.358
116 H CYS 17 H CYS 17 -1.792 -8.046 -1.923
117 HA CYS 17 HA CYS 17 0.372 -8.436 -2.418
118 HB2 CYS 17 HB2 CYS 17 1.138 -6.223 -0.541
119 HB3 CYS 17 HB3 CYS 17 1.844 -6.642 -2.097
120 H CYS 18 H CYS 18 1.179 -10.286 -1.841
121 HA CYS 18 HA CYS 18 2.044 -10.694 0.928
122 HB2 CYS 18 HB2 CYS 18 1.189 -12.520 -1.263
123 HB3 CYS 18 HB3 CYS 18 2.345 -13.132 -0.086
124 H SER 19 H SER 19 3.290 -10.060 -2.196
125 HA SER 19 HA SER 19 6.005 -10.482 -1.181
126 HB2 SER 19 HB2 SER 19 5.137 -11.454 -3.908
127 HB3 SER 19 HB3 SER 19 6.770 -11.533 -3.251
128 HG SER 19 HG SER 19 4.590 -13.138 -2.758
129 H ASN 20 H ASN 20 3.824 -8.753 -3.199
130 HA ASN 20 HA ASN 20 5.823 -7.192 -4.564
131 HB2 ASN 20 HB2 ASN 20 2.823 -7.092 -4.406
132 HB3 ASN 20 HB3 ASN 20 3.727 -5.821 -5.206
133 HD21 ASN 20 HD21 ASN 20 4.762 -9.171 -5.267
134 HD22 ASN 20 HD22 ASN 20 4.427 -9.438 -6.941
135 H PHE 21 H PHE 21 4.877 -4.582 -4.433
136 HA PHE 21 HA PHE 21 5.337 -3.893 -1.609
137 HB2 PHE 21 HB2 PHE 21 6.539 -1.878 -2.382
138 HB3 PHE 21 HB3 PHE 21 7.321 -3.364 -2.881
139 HD1 PHE 21 HD1 PHE 21 7.855 -3.727 -5.105
140 HD2 PHE 21 HD2 PHE 21 5.160 -0.592 -4.106
141 HE1 PHE 21 HE1 PHE 21 8.034 -2.857 -7.396
142 HE2 PHE 21 HE2 PHE 21 5.330 0.278 -6.403
143 HZ PHE 21 HZ PHE 21 6.766 -0.852 -8.049
144 H CYS 22 H CYS 22 4.465 -1.903 -0.846
145 HA CYS 22 HA CYS 22 2.115 -0.968 -2.357
146 HB2 CYS 22 HB2 CYS 22 1.304 -2.190 -0.456
147 HB3 CYS 22 HB3 CYS 22 2.454 -1.404 0.619
148 H LEU 23 H LEU 23 2.391 1.034 -3.048
149 HA LEU 23 HA LEU 23 4.416 2.728 -1.860
150 HB2 LEU 23 HB2 LEU 23 2.785 2.841 -4.361
151 HB3 LEU 23 HB3 LEU 23 3.637 4.266 -3.809
152 HG LEU 23 HG LEU 23 4.844 1.612 -4.592
153 HD11 LEU 23 HD11 LEU 23 5.536 2.622 -6.530
154 HD12 LEU 23 HD12 LEU 23 5.507 4.238 -5.829
155 HD13 LEU 23 HD13 LEU 23 3.997 3.444 -6.269
156 HD21 LEU 23 HD21 LEU 23 6.033 3.978 -3.194
157 HD22 LEU 23 HD22 LEU 23 7.011 3.093 -4.362
158 HD23 LEU 23 HD23 LEU 23 6.349 2.258 -2.958
159 H ARG 24 H ARG 24 2.384 2.297 -0.147
160 HA ARG 24 HA ARG 24 0.582 4.564 -0.070
161 HB2 ARG 24 HB2 ARG 24 0.169 2.154 0.818
162 HB3 ARG 24 HB3 ARG 24 1.107 2.656 2.208
163 HG2 ARG 24 HG2 ARG 24 -1.288 4.247 1.352
164 HG3 ARG 24 HG3 ARG 24 -1.486 2.767 2.288
165 HD2 ARG 24 HD2 ARG 24 0.261 3.833 3.888
166 HD3 ARG 24 HD3 ARG 24 -0.165 5.340 3.080
167 HE ARG 24 HE ARG 24 -2.556 4.617 3.755
168 HH11 ARG 24 HH11 ARG 24 0.327 4.119 5.699
169 HH12 ARG 24 HH12 ARG 24 -0.537 4.165 7.200
170 HH21 ARG 24 HH21 ARG 24 -3.668 4.665 5.736
171 HH22 ARG 24 HH22 ARG 24 -2.795 4.473 7.219
172 H TYR 25 H TYR 25 2.335 6.112 -0.235
173 HA TYR 25 HA TYR 25 4.314 6.453 1.764
174 HB2 TYR 25 HB2 TYR 25 3.889 7.485 -0.735
175 HB3 TYR 25 HB3 TYR 25 3.525 8.869 0.291
176 HD1 TYR 25 HD1 TYR 25 5.253 9.915 1.638
177 HD2 TYR 25 HD2 TYR 25 6.141 6.566 -0.832
178 HE1 TYR 25 HE1 TYR 25 7.654 10.378 1.883
179 HE2 TYR 25 HE2 TYR 25 8.546 7.020 -0.592
180 HH TYR 25 HH TYR 25 9.789 9.174 1.716
181 H ALA 26 H ALA 26 4.500 8.619 2.991
182 HA ALA 26 HA ALA 26 2.235 8.849 4.749
183 HB1 ALA 26 HB1 ALA 26 4.522 8.848 5.604
184 HB2 ALA 26 HB2 ALA 26 3.646 10.306 6.069
185 HB3 ALA 26 HB3 ALA 26 4.830 10.366 4.762
186 H GLY 27 H GLY 27 3.432 10.605 2.039
187 HA2 GLY 27 HA2 GLY 27 1.429 12.724 2.527
188 HA3 GLY 27 HA3 GLY 27 3.003 13.071 1.830
189 H GLN 28 H GLN 28 1.175 10.203 0.993
190 HA GLN 28 HA GLN 28 0.334 11.395 -1.554
191 HB2 GLN 28 HB2 GLN 28 1.937 8.849 -1.258
192 HB3 GLN 28 HB3 GLN 28 1.074 9.285 -2.722
193 HG2 GLN 28 HG2 GLN 28 2.440 11.299 -2.934
194 HG3 GLN 28 HG3 GLN 28 3.308 10.863 -1.463
195 HE21 GLN 28 HE21 GLN 28 2.790 10.125 -4.818
196 HE22 GLN 28 HE22 GLN 28 4.156 9.086 -5.012
197 H LYS 29 H LYS 29 -1.389 10.310 -2.597
198 HA LYS 29 HA LYS 29 -2.815 8.333 -0.954
199 HB2 LYS 29 HB2 LYS 29 -4.968 9.448 -1.630
200 HB3 LYS 29 HB3 LYS 29 -3.966 10.385 -0.537
201 HG2 LYS 29 HG2 LYS 29 -3.208 11.766 -2.415
202 HG3 LYS 29 HG3 LYS 29 -4.211 10.817 -3.514
203 HD2 LYS 29 HD2 LYS 29 -6.211 11.507 -2.278
204 HD3 LYS 29 HD3 LYS 29 -5.206 12.456 -1.182
205 HE2 LYS 29 HE2 LYS 29 -4.469 13.840 -3.061
206 HE3 LYS 29 HE3 LYS 29 -5.470 12.888 -4.156
207 HZ1 LYS 29 HZ1 LYS 29 -6.465 14.524 -1.885
208 HZ2 LYS 29 HZ2 LYS 29 -7.427 13.610 -2.935
209 HZ3 LYS 29 HZ3 LYS 29 -6.565 14.941 -3.521
210 H SER 30 H SER 30 -1.113 7.701 -3.086
211 HA SER 30 HA SER 30 -2.827 6.124 -4.726
212 HB2 SER 30 HB2 SER 30 -2.017 7.041 -6.929
213 HB3 SER 30 HB3 SER 30 -3.083 8.139 -6.054
214 HG SER 30 HG SER 30 -0.267 8.266 -6.318
215 H GLY 31 H GLY 31 -1.558 4.551 -3.683
216 HA2 GLY 31 HA2 GLY 31 1.299 4.495 -4.179
217 HA3 GLY 31 HA3 GLY 31 0.388 3.348 -3.220
218 H THR 32 H THR 32 1.782 1.744 -4.380
219 HA THR 32 HA THR 32 0.410 0.778 -6.743
220 HB THR 32 HB THR 32 3.383 1.338 -6.876
221 HG1 THR 32 HG1 THR 32 2.412 3.295 -7.106
222 HG21 THR 32 HG21 THR 32 1.475 0.405 -9.025
223 HG22 THR 32 HG22 THR 32 2.675 -0.596 -8.210
224 HG23 THR 32 HG23 THR 32 3.195 0.741 -9.234
225 H CYS 33 H CYS 33 0.021 -1.260 -6.186
226 HA CYS 33 HA CYS 33 2.029 -2.800 -4.741
227 HB2 CYS 33 HB2 CYS 33 -0.357 -3.070 -4.079
228 HB3 CYS 33 HB3 CYS 33 -0.699 -3.753 -5.666
229 H ALA 34 H ALA 34 3.614 -3.251 -5.978
230 HA ALA 34 HA ALA 34 3.278 -4.747 -8.461
231 HB1 ALA 34 HB1 ALA 34 5.070 -3.326 -9.496
232 HB2 ALA 34 HB2 ALA 34 4.888 -2.222 -8.132
233 HB3 ALA 34 HB3 ALA 34 3.537 -2.497 -9.229
234 H ASN 35 H ASN 35 5.471 -5.667 -9.176
235 HA ASN 35 HA ASN 35 6.669 -6.952 -6.893
236 HB2 ASN 35 HB2 ASN 35 7.026 -7.224 -9.870
237 HB3 ASN 35 HB3 ASN 35 8.118 -8.031 -8.750
238 HD21 ASN 35 HD21 ASN 35 4.935 -7.943 -10.086
239 HD22 ASN 35 HD22 ASN 35 4.378 -9.427 -9.400
240 H ARG 36 H ARG 36 8.825 -6.982 -6.304
241 HA ARG 36 HA ARG 36 10.199 -4.453 -6.685
242 HB2 ARG 36 HB2 ARG 36 11.709 -5.306 -4.861
243 HB3 ARG 36 HB3 ARG 36 10.024 -5.136 -4.407
244 HG2 ARG 36 HG2 ARG 36 9.722 -7.564 -4.661
245 HG3 ARG 36 HG3 ARG 36 11.428 -7.720 -5.084
246 HD2 ARG 36 HD2 ARG 36 10.488 -6.504 -2.496
247 HD3 ARG 36 HD3 ARG 36 10.806 -8.228 -2.679
248 HE ARG 36 HE ARG 36 13.061 -6.855 -3.574
249 HH11 ARG 36 HH11 ARG 36 11.362 -7.337 -0.537
250 HH12 ARG 36 HH12 ARG 36 12.789 -7.142 0.423
251 HH21 ARG 36 HH21 ARG 36 14.799 -6.727 -0.571
252 HH22 ARG 36 HH22 ARG 36 14.916 -6.603 -2.295
Start of MODEL 7
1 H PCA 1 H3 PCA 1 1.468 -13.382 -4.472
2 HA PCA 1 HA PCA 1 0.338 -15.483 -5.035
3 HB2 PCA 1 HB2 PCA 1 -0.321 -16.214 -2.345
4 HB3 PCA 1 HB3 PCA 1 0.567 -17.156 -3.564
5 HG2 PCA 1 HG2 PCA 1 1.588 -15.708 -1.304
6 HG3 PCA 1 HG3 PCA 1 2.434 -16.798 -2.418
7 H CYS 2 H CYS 2 -0.011 -12.747 -3.061
8 HA CYS 2 HA CYS 2 -2.929 -12.801 -3.422
9 HB2 CYS 2 HB2 CYS 2 -3.276 -11.794 -1.251
10 HB3 CYS 2 HB3 CYS 2 -2.352 -13.277 -1.064
11 H LYS 3 H LYS 3 -0.099 -11.199 -4.145
12 HA LYS 3 HA LYS 3 -1.067 -8.495 -4.070
13 HB2 LYS 3 HB2 LYS 3 1.086 -8.455 -5.825
14 HB3 LYS 3 HB3 LYS 3 1.147 -8.100 -4.116
15 HG2 LYS 3 HG2 LYS 3 2.878 -9.629 -4.534
16 HG3 LYS 3 HG3 LYS 3 1.605 -10.556 -3.742
17 HD2 LYS 3 HD2 LYS 3 0.886 -11.465 -5.862
18 HD3 LYS 3 HD3 LYS 3 2.030 -10.440 -6.729
19 HE2 LYS 3 HE2 LYS 3 2.969 -12.393 -4.657
20 HE3 LYS 3 HE3 LYS 3 2.641 -12.916 -6.307
21 HZ1 LYS 3 HZ1 LYS 3 4.490 -10.700 -5.625
22 HZ2 LYS 3 HZ2 LYS 3 4.286 -11.437 -7.133
23 HZ3 LYS 3 HZ3 LYS 3 4.990 -12.300 -5.859
24 HA PRO 4 HA PRO 4 -2.895 -8.669 -8.161
25 HB2 PRO 4 HB2 PRO 4 -3.430 -5.889 -8.233
26 HB3 PRO 4 HB3 PRO 4 -4.498 -7.152 -7.600
27 HG2 PRO 4 HG2 PRO 4 -3.336 -5.143 -6.083
28 HG3 PRO 4 HG3 PRO 4 -4.009 -6.655 -5.450
29 HD2 PRO 4 HD2 PRO 4 -1.154 -5.966 -6.052
30 HD3 PRO 4 HD3 PRO 4 -1.836 -6.860 -4.676
31 H ASN 5 H ASN 5 -0.147 -6.725 -7.482
32 HA ASN 5 HA ASN 5 1.346 -5.503 -8.670
33 HB2 ASN 5 HB2 ASN 5 1.752 -6.996 -11.018
34 HB3 ASN 5 HB3 ASN 5 2.681 -7.066 -9.532
35 HD21 ASN 5 HD21 ASN 5 2.313 -8.738 -8.078
36 HD22 ASN 5 HD22 ASN 5 1.469 -10.176 -8.528
37 H GLY 6 H GLY 6 0.432 -3.648 -9.169
38 HA2 GLY 6 HA2 GLY 6 0.287 -2.158 -11.126
39 HA3 GLY 6 HA3 GLY 6 -0.754 -3.370 -11.861
40 H ALA 7 H ALA 7 -1.233 -2.947 -8.505
41 HA ALA 7 HA ALA 7 -3.797 -1.618 -8.998
42 HB1 ALA 7 HB1 ALA 7 -4.355 -2.336 -6.707
43 HB2 ALA 7 HB2 ALA 7 -2.741 -3.029 -6.550
44 HB3 ALA 7 HB3 ALA 7 -3.871 -3.684 -7.737
45 H LYS 8 H LYS 8 -4.479 -0.155 -6.978
46 HA LYS 8 HA LYS 8 -2.263 1.724 -6.505
47 HB2 LYS 8 HB2 LYS 8 -4.987 2.110 -7.478
48 HB3 LYS 8 HB3 LYS 8 -4.557 3.197 -6.163
49 HG2 LYS 8 HG2 LYS 8 -3.027 4.319 -7.405
50 HG3 LYS 8 HG3 LYS 8 -2.597 2.897 -8.360
51 HD2 LYS 8 HD2 LYS 8 -4.629 3.071 -9.634
52 HD3 LYS 8 HD3 LYS 8 -5.202 4.389 -8.611
53 HE2 LYS 8 HE2 LYS 8 -3.331 5.781 -9.366
54 HE3 LYS 8 HE3 LYS 8 -2.765 4.462 -10.389
55 HZ1 LYS 8 HZ1 LYS 8 -4.028 6.079 -11.656
56 HZ2 LYS 8 HZ2 LYS 8 -5.372 5.860 -10.653
57 HZ3 LYS 8 HZ3 LYS 8 -4.834 4.591 -11.633
58 H CYS 9 H CYS 9 -1.991 2.674 -4.588
59 HA CYS 9 HA CYS 9 -3.505 1.619 -2.270
60 HB2 CYS 9 HB2 CYS 9 -0.657 2.606 -2.548
61 HB3 CYS 9 HB3 CYS 9 -1.418 2.308 -0.997
62 H THR 10 H THR 10 -3.981 3.106 -0.568
63 HA THR 10 HA THR 10 -3.578 5.950 -1.042
64 HB THR 10 HB THR 10 -6.079 6.342 -0.509
65 HG1 THR 10 HG1 THR 10 -6.005 3.631 -0.819
66 HG21 THR 10 HG21 THR 10 -5.256 5.270 -3.211
67 HG22 THR 10 HG22 THR 10 -5.049 6.927 -2.644
68 HG23 THR 10 HG23 THR 10 -6.670 6.276 -2.890
69 H GLU 11 H GLU 11 -4.381 7.274 0.827
70 HA GLU 11 HA GLU 11 -3.350 6.282 3.243
71 HB2 GLU 11 HB2 GLU 11 -4.287 8.377 4.262
72 HB3 GLU 11 HB3 GLU 11 -3.242 8.622 2.874
73 HG2 GLU 11 HG2 GLU 11 -5.254 8.932 1.462
74 HG3 GLU 11 HG3 GLU 11 -6.253 8.780 2.907
75 H ILE 12 H ILE 12 -6.231 5.438 1.896
76 HA ILE 12 HA ILE 12 -7.372 4.712 4.497
77 HB ILE 12 HB ILE 12 -9.538 4.782 2.785
78 HG12 ILE 12 HG12 ILE 12 -9.502 7.287 2.130
79 HG13 ILE 12 HG13 ILE 12 -7.754 7.147 2.248
80 HG21 ILE 12 HG21 ILE 12 -8.661 6.803 4.833
81 HG22 ILE 12 HG22 ILE 12 -9.573 5.324 5.135
82 HG23 ILE 12 HG23 ILE 12 -10.301 6.635 4.207
83 HD11 ILE 12 HD11 ILE 12 -8.381 6.883 -0.034
84 HD12 ILE 12 HD12 ILE 12 -9.577 5.655 0.380
85 HD13 ILE 12 HD13 ILE 12 -7.858 5.311 0.571
86 H SER 13 H SER 13 -6.394 3.673 1.360
87 HA SER 13 HA SER 13 -7.473 1.017 1.947
88 HB2 SER 13 HB2 SER 13 -8.939 2.176 0.264
89 HB3 SER 13 HB3 SER 13 -7.555 2.212 -0.827
90 HG SER 13 HG SER 13 -7.513 -0.112 -0.627
91 H ILE 14 H ILE 14 -6.379 -0.733 1.167
92 HA ILE 14 HA ILE 14 -3.914 -0.438 -0.304
93 HB ILE 14 HB ILE 14 -2.535 -1.677 1.390
94 HG12 ILE 14 HG12 ILE 14 -3.460 -1.049 3.850
95 HG13 ILE 14 HG13 ILE 14 -4.990 -1.346 3.029
96 HG21 ILE 14 HG21 ILE 14 -2.207 0.680 1.037
97 HG22 ILE 14 HG22 ILE 14 -1.982 0.281 2.741
98 HG23 ILE 14 HG23 ILE 14 -3.473 1.057 2.206
99 HD11 ILE 14 HD11 ILE 14 -2.678 -3.266 3.203
100 HD12 ILE 14 HD12 ILE 14 -4.207 -3.565 2.377
101 HD13 ILE 14 HD13 ILE 14 -4.178 -3.353 4.127
102 HA PRO 15 HA PRO 15 -5.278 -4.544 -1.538
103 HB2 PRO 15 HB2 PRO 15 -3.126 -5.282 -3.018
104 HB3 PRO 15 HB3 PRO 15 -4.260 -4.035 -3.571
105 HG2 PRO 15 HG2 PRO 15 -1.585 -3.721 -2.300
106 HG3 PRO 15 HG3 PRO 15 -2.291 -2.860 -3.684
107 HD2 PRO 15 HD2 PRO 15 -2.218 -1.818 -1.178
108 HD3 PRO 15 HD3 PRO 15 -3.480 -1.424 -2.361
109 HA PRO 16 HA PRO 16 -3.257 -7.496 1.183
110 HB2 PRO 16 HB2 PRO 16 -2.847 -9.656 -0.722
111 HB3 PRO 16 HB3 PRO 16 -4.082 -9.521 0.541
112 HG2 PRO 16 HG2 PRO 16 -4.673 -9.440 -2.094
113 HG3 PRO 16 HG3 PRO 16 -5.617 -8.580 -0.861
114 HD2 PRO 16 HD2 PRO 16 -3.507 -7.517 -2.698
115 HD3 PRO 16 HD3 PRO 16 -5.080 -6.813 -2.265
116 H CYS 17 H CYS 17 -1.610 -8.092 -1.941
117 HA CYS 17 HA CYS 17 0.533 -8.489 -2.507
118 HB2 CYS 17 HB2 CYS 17 1.327 -6.275 -0.638
119 HB3 CYS 17 HB3 CYS 17 2.023 -6.694 -2.199
120 H CYS 18 H CYS 18 1.280 -10.373 -1.948
121 HA CYS 18 HA CYS 18 2.210 -10.859 0.777
122 HB2 CYS 18 HB2 CYS 18 1.666 -12.681 -1.561
123 HB3 CYS 18 HB3 CYS 18 2.457 -13.242 -0.093
124 H SER 19 H SER 19 3.392 -10.193 -2.373
125 HA SER 19 HA SER 19 6.150 -10.542 -1.419
126 HB2 SER 19 HB2 SER 19 5.177 -11.385 -4.158
127 HB3 SER 19 HB3 SER 19 6.854 -11.408 -3.615
128 HG SER 19 HG SER 19 4.861 -12.787 -2.178
129 H ASN 20 H ASN 20 3.825 -8.736 -3.162
130 HA ASN 20 HA ASN 20 5.754 -6.974 -4.428
131 HB2 ASN 20 HB2 ASN 20 2.744 -7.065 -4.392
132 HB3 ASN 20 HB3 ASN 20 3.621 -5.734 -5.117
133 HD21 ASN 20 HD21 ASN 20 4.692 -9.082 -5.230
134 HD22 ASN 20 HD22 ASN 20 4.462 -9.287 -6.930
135 H PHE 21 H PHE 21 4.785 -4.491 -4.210
136 HA PHE 21 HA PHE 21 4.866 -3.897 -1.327
137 HB2 PHE 21 HB2 PHE 21 6.091 -1.817 -1.923
138 HB3 PHE 21 HB3 PHE 21 6.976 -3.275 -2.330
139 HD1 PHE 21 HD1 PHE 21 7.866 -3.529 -4.440
140 HD2 PHE 21 HD2 PHE 21 4.782 -0.652 -3.865
141 HE1 PHE 21 HE1 PHE 21 8.256 -2.669 -6.709
142 HE2 PHE 21 HE2 PHE 21 5.165 0.205 -6.138
143 HZ PHE 21 HZ PHE 21 6.903 -0.799 -7.561
144 H CYS 22 H CYS 22 3.827 -1.952 -0.635
145 HA CYS 22 HA CYS 22 1.714 -1.004 -2.456
146 HB2 CYS 22 HB2 CYS 22 0.671 -2.294 -0.695
147 HB3 CYS 22 HB3 CYS 22 1.596 -1.448 0.538
148 H LEU 23 H LEU 23 2.217 0.960 -3.109
149 HA LEU 23 HA LEU 23 4.056 2.611 -1.656
150 HB2 LEU 23 HB2 LEU 23 2.655 2.817 -4.281
151 HB3 LEU 23 HB3 LEU 23 3.430 4.233 -3.610
152 HG LEU 23 HG LEU 23 4.778 1.615 -4.305
153 HD11 LEU 23 HD11 LEU 23 5.856 3.830 -5.685
154 HD12 LEU 23 HD12 LEU 23 4.101 3.921 -5.840
155 HD13 LEU 23 HD13 LEU 23 4.957 2.465 -6.345
156 HD21 LEU 23 HD21 LEU 23 5.801 4.106 -2.967
157 HD22 LEU 23 HD22 LEU 23 6.870 3.124 -3.965
158 HD23 LEU 23 HD23 LEU 23 6.094 2.417 -2.549
159 H ARG 24 H ARG 24 2.185 2.305 0.046
160 HA ARG 24 HA ARG 24 0.330 4.561 0.041
161 HB2 ARG 24 HB2 ARG 24 -0.062 2.069 0.886
162 HB3 ARG 24 HB3 ARG 24 0.652 2.686 2.362
163 HG2 ARG 24 HG2 ARG 24 -1.694 4.067 1.090
164 HG3 ARG 24 HG3 ARG 24 -1.916 2.659 2.123
165 HD2 ARG 24 HD2 ARG 24 -2.151 4.382 3.633
166 HD3 ARG 24 HD3 ARG 24 -0.443 3.995 3.810
167 HE ARG 24 HE ARG 24 -0.498 5.944 1.903
168 HH11 ARG 24 HH11 ARG 24 -1.694 5.745 5.199
169 HH12 ARG 24 HH12 ARG 24 -1.518 7.443 5.488
170 HH21 ARG 24 HH21 ARG 24 -0.287 8.168 2.301
171 HH22 ARG 24 HH22 ARG 24 -0.722 8.813 3.850
172 H TYR 25 H TYR 25 2.706 5.591 -0.101
173 HA TYR 25 HA TYR 25 4.170 5.941 2.301
174 HB2 TYR 25 HB2 TYR 25 4.255 7.002 -0.447
175 HB3 TYR 25 HB3 TYR 25 4.925 8.063 0.787
176 HD1 TYR 25 HD1 TYR 25 5.243 4.765 -0.828
177 HD2 TYR 25 HD2 TYR 25 6.990 7.545 1.876
178 HE1 TYR 25 HE1 TYR 25 7.337 3.473 -0.864
179 HE2 TYR 25 HE2 TYR 25 9.087 6.262 1.849
180 HH TYR 25 HH TYR 25 9.842 3.974 1.371
181 H ALA 26 H ALA 26 4.565 8.050 3.359
182 HA ALA 26 HA ALA 26 2.143 9.236 4.271
183 HB1 ALA 26 HB1 ALA 26 4.980 10.104 4.763
184 HB2 ALA 26 HB2 ALA 26 4.087 8.921 5.717
185 HB3 ALA 26 HB3 ALA 26 3.561 10.603 5.682
186 H GLY 27 H GLY 27 4.369 10.025 1.768
187 HA2 GLY 27 HA2 GLY 27 3.182 12.706 1.446
188 HA3 GLY 27 HA3 GLY 27 4.742 12.216 0.804
189 H GLN 28 H GLN 28 2.124 9.984 0.542
190 HA GLN 28 HA GLN 28 1.662 10.739 -2.265
191 HB2 GLN 28 HB2 GLN 28 2.236 7.988 -1.163
192 HB3 GLN 28 HB3 GLN 28 1.480 8.240 -2.729
193 HG2 GLN 28 HG2 GLN 28 3.458 9.537 -3.438
194 HG3 GLN 28 HG3 GLN 28 4.219 9.171 -1.890
195 HE21 GLN 28 HE21 GLN 28 3.193 7.903 -4.958
196 HE22 GLN 28 HE22 GLN 28 4.059 6.411 -4.861
197 H LYS 29 H LYS 29 -0.358 10.144 -3.134
198 HA LYS 29 HA LYS 29 -2.419 9.449 -1.146
199 HB2 LYS 29 HB2 LYS 29 -2.507 11.530 -3.333
200 HB3 LYS 29 HB3 LYS 29 -3.960 10.918 -2.558
201 HG2 LYS 29 HG2 LYS 29 -3.587 12.813 -1.329
202 HG3 LYS 29 HG3 LYS 29 -2.714 11.627 -0.358
203 HD2 LYS 29 HD2 LYS 29 -0.617 12.284 -1.447
204 HD3 LYS 29 HD3 LYS 29 -1.492 13.467 -2.420
205 HE2 LYS 29 HE2 LYS 29 -0.532 14.682 -0.641
206 HE3 LYS 29 HE3 LYS 29 -2.239 14.510 -0.239
207 HZ1 LYS 29 HZ1 LYS 29 -0.030 12.846 0.849
208 HZ2 LYS 29 HZ2 LYS 29 -1.667 12.680 1.236
209 HZ3 LYS 29 HZ3 LYS 29 -0.834 14.084 1.678
210 H SER 30 H SER 30 -0.818 8.204 -3.638
211 HA SER 30 HA SER 30 -2.817 6.309 -4.330
212 HB2 SER 30 HB2 SER 30 -2.832 6.778 -6.805
213 HB3 SER 30 HB3 SER 30 -3.657 8.005 -5.846
214 HG SER 30 HG SER 30 -1.403 8.205 -7.397
215 H GLY 31 H GLY 31 -1.279 4.855 -3.649
216 HA2 GLY 31 HA2 GLY 31 1.327 4.789 -4.947
217 HA3 GLY 31 HA3 GLY 31 0.789 3.759 -3.633
218 H THR 32 H THR 32 1.859 2.040 -5.006
219 HA THR 32 HA THR 32 -0.168 0.775 -6.610
220 HB THR 32 HB THR 32 0.781 2.117 -8.366
221 HG1 THR 32 HG1 THR 32 1.172 -0.623 -8.343
222 HG21 THR 32 HG21 THR 32 3.474 1.017 -7.541
223 HG22 THR 32 HG22 THR 32 2.947 2.699 -7.477
224 HG23 THR 32 HG23 THR 32 3.175 1.906 -9.035
225 H CYS 33 H CYS 33 -0.219 -1.247 -6.009
226 HA CYS 33 HA CYS 33 2.010 -2.544 -4.761
227 HB2 CYS 33 HB2 CYS 33 -0.292 -3.102 -4.087
228 HB3 CYS 33 HB3 CYS 33 -0.603 -3.781 -5.680
229 H ALA 34 H ALA 34 3.653 -3.206 -5.799
230 HA ALA 34 HA ALA 34 3.481 -4.661 -8.313
231 HB1 ALA 34 HB1 ALA 34 3.717 -2.380 -9.056
232 HB2 ALA 34 HB2 ALA 34 5.248 -3.220 -9.315
233 HB3 ALA 34 HB3 ALA 34 5.063 -2.120 -7.948
234 H ASN 35 H ASN 35 5.780 -5.469 -8.924
235 HA ASN 35 HA ASN 35 6.919 -6.685 -6.556
236 HB2 ASN 35 HB2 ASN 35 7.402 -7.034 -9.511
237 HB3 ASN 35 HB3 ASN 35 8.437 -7.802 -8.313
238 HD21 ASN 35 HD21 ASN 35 5.328 -7.774 -9.819
239 HD22 ASN 35 HD22 ASN 35 4.750 -9.250 -9.131
240 H ARG 36 H ARG 36 9.025 -6.546 -5.843
241 HA ARG 36 HA ARG 36 10.404 -4.060 -6.559
242 HB2 ARG 36 HB2 ARG 36 9.724 -4.919 -4.123
243 HB3 ARG 36 HB3 ARG 36 11.277 -5.732 -4.251
244 HG2 ARG 36 HG2 ARG 36 12.375 -3.591 -4.653
245 HG3 ARG 36 HG3 ARG 36 10.817 -2.770 -4.547
246 HD2 ARG 36 HD2 ARG 36 10.571 -3.555 -2.236
247 HD3 ARG 36 HD3 ARG 36 12.139 -4.353 -2.346
248 HE ARG 36 HE ARG 36 12.554 -1.693 -2.998
249 HH11 ARG 36 HH11 ARG 36 11.472 -3.479 -0.174
250 HH12 ARG 36 HH12 ARG 36 12.071 -2.298 0.944
251 HH21 ARG 36 HH21 ARG 36 13.121 -0.423 0.183
252 HH22 ARG 36 HH22 ARG 36 13.329 -0.162 -1.517
Start of MODEL 8
1 H PCA 1 H3 PCA 1 -2.309 -14.522 1.430
2 HA PCA 1 HA PCA 1 -4.225 -13.681 -0.695
3 HB2 PCA 1 HB2 PCA 1 -2.806 -11.544 0.450
4 HB3 PCA 1 HB3 PCA 1 -4.513 -11.962 0.728
5 HG2 PCA 1 HG2 PCA 1 -2.203 -12.376 2.419
6 HG3 PCA 1 HG3 PCA 1 -3.931 -12.428 2.816
7 H CYS 2 H CYS 2 -2.934 -11.718 -1.850
8 HA CYS 2 HA CYS 2 -0.164 -11.976 -2.257
9 HB2 CYS 2 HB2 CYS 2 -1.769 -13.807 -3.822
10 HB3 CYS 2 HB3 CYS 2 -0.843 -12.722 -4.856
11 H LYS 3 H LYS 3 0.576 -10.877 -4.311
12 HA LYS 3 HA LYS 3 -0.672 -8.289 -4.425
13 HB2 LYS 3 HB2 LYS 3 1.426 -8.063 -6.118
14 HB3 LYS 3 HB3 LYS 3 1.539 -7.824 -4.388
15 HG2 LYS 3 HG2 LYS 3 3.358 -9.205 -5.031
16 HG3 LYS 3 HG3 LYS 3 2.208 -10.240 -4.188
17 HD2 LYS 3 HD2 LYS 3 1.392 -11.110 -6.289
18 HD3 LYS 3 HD3 LYS 3 2.414 -9.985 -7.188
19 HE2 LYS 3 HE2 LYS 3 4.408 -11.064 -6.259
20 HE3 LYS 3 HE3 LYS 3 3.384 -12.186 -5.364
21 HZ1 LYS 3 HZ1 LYS 3 4.215 -13.183 -7.397
22 HZ2 LYS 3 HZ2 LYS 3 3.517 -11.951 -8.321
23 HZ3 LYS 3 HZ3 LYS 3 2.532 -13.026 -7.465
24 HA PRO 4 HA PRO 4 -2.306 -8.886 -8.568
25 HB2 PRO 4 HB2 PRO 4 -3.232 -6.236 -8.750
26 HB3 PRO 4 HB3 PRO 4 -4.105 -7.588 -8.010
27 HG2 PRO 4 HG2 PRO 4 -3.171 -5.329 -6.663
28 HG3 PRO 4 HG3 PRO 4 -3.698 -6.845 -5.918
29 HD2 PRO 4 HD2 PRO 4 -0.919 -5.930 -6.571
30 HD3 PRO 4 HD3 PRO 4 -1.517 -6.794 -5.137
31 H ASN 5 H ASN 5 0.191 -6.679 -7.821
32 HA ASN 5 HA ASN 5 1.599 -5.302 -8.926
33 HB2 ASN 5 HB2 ASN 5 2.180 -6.659 -11.321
34 HB3 ASN 5 HB3 ASN 5 3.086 -6.697 -9.818
35 HD21 ASN 5 HD21 ASN 5 2.881 -8.454 -8.451
36 HD22 ASN 5 HD22 ASN 5 2.173 -9.945 -8.960
37 H GLY 6 H GLY 6 0.623 -3.496 -9.406
38 HA2 GLY 6 HA2 GLY 6 0.392 -1.980 -11.338
39 HA3 GLY 6 HA3 GLY 6 -0.591 -3.229 -12.085
40 H ALA 7 H ALA 7 -1.049 -2.847 -8.709
41 HA ALA 7 HA ALA 7 -3.673 -1.625 -9.188
42 HB1 ALA 7 HB1 ALA 7 -3.770 -3.702 -8.012
43 HB2 ALA 7 HB2 ALA 7 -4.175 -2.418 -6.874
44 HB3 ALA 7 HB3 ALA 7 -2.573 -3.156 -6.837
45 H LYS 8 H LYS 8 -4.436 -0.250 -7.155
46 HA LYS 8 HA LYS 8 -2.322 1.731 -6.643
47 HB2 LYS 8 HB2 LYS 8 -5.107 1.953 -7.483
48 HB3 LYS 8 HB3 LYS 8 -4.704 3.013 -6.140
49 HG2 LYS 8 HG2 LYS 8 -3.265 4.272 -7.380
50 HG3 LYS 8 HG3 LYS 8 -2.855 2.937 -8.462
51 HD2 LYS 8 HD2 LYS 8 -4.989 3.112 -9.566
52 HD3 LYS 8 HD3 LYS 8 -5.522 4.340 -8.419
53 HE2 LYS 8 HE2 LYS 8 -3.123 4.697 -10.202
54 HE3 LYS 8 HE3 LYS 8 -4.750 5.174 -10.685
55 HZ1 LYS 8 HZ1 LYS 8 -4.841 6.658 -8.777
56 HZ2 LYS 8 HZ2 LYS 8 -3.521 7.036 -9.765
57 HZ3 LYS 8 HZ3 LYS 8 -3.279 6.198 -8.314
58 H CYS 9 H CYS 9 -2.135 2.729 -4.699
59 HA CYS 9 HA CYS 9 -3.467 1.479 -2.362
60 HB2 CYS 9 HB2 CYS 9 -0.650 2.534 -2.714
61 HB3 CYS 9 HB3 CYS 9 -1.345 2.172 -1.144
62 H THR 10 H THR 10 -3.976 2.879 -0.626
63 HA THR 10 HA THR 10 -3.603 5.744 -0.960
64 HB THR 10 HB THR 10 -6.118 6.074 -0.418
65 HG1 THR 10 HG1 THR 10 -5.993 3.388 -0.981
66 HG21 THR 10 HG21 THR 10 -5.065 6.822 -2.488
67 HG22 THR 10 HG22 THR 10 -6.670 6.167 -2.808
68 HG23 THR 10 HG23 THR 10 -5.237 5.206 -3.173
69 H GLU 11 H GLU 11 -4.439 6.969 0.942
70 HA GLU 11 HA GLU 11 -3.345 6.062 3.330
71 HB2 GLU 11 HB2 GLU 11 -5.544 8.115 3.147
72 HB3 GLU 11 HB3 GLU 11 -4.300 7.991 4.381
73 HG2 GLU 11 HG2 GLU 11 -2.619 8.436 2.568
74 HG3 GLU 11 HG3 GLU 11 -3.980 8.808 1.512
75 H ILE 12 H ILE 12 -6.417 5.370 2.017
76 HA ILE 12 HA ILE 12 -7.291 4.187 4.569
77 HB ILE 12 HB ILE 12 -9.569 4.400 2.947
78 HG12 ILE 12 HG12 ILE 12 -9.644 6.990 2.815
79 HG13 ILE 12 HG13 ILE 12 -7.888 6.900 2.842
80 HG21 ILE 12 HG21 ILE 12 -9.530 4.465 5.359
81 HG22 ILE 12 HG22 ILE 12 -10.349 5.895 4.730
82 HG23 ILE 12 HG23 ILE 12 -8.696 6.018 5.330
83 HD11 ILE 12 HD11 ILE 12 -8.636 7.082 0.576
84 HD12 ILE 12 HD12 ILE 12 -9.728 5.712 0.779
85 HD13 ILE 12 HD13 ILE 12 -7.983 5.463 0.828
86 H SER 13 H SER 13 -6.312 3.397 1.398
87 HA SER 13 HA SER 13 -7.463 0.729 1.747
88 HB2 SER 13 HB2 SER 13 -7.507 2.266 -0.855
89 HB3 SER 13 HB3 SER 13 -7.977 0.577 -0.667
90 HG SER 13 HG SER 13 -9.382 1.750 1.113
91 H ILE 14 H ILE 14 -6.320 -0.981 1.011
92 HA ILE 14 HA ILE 14 -3.845 -0.632 -0.432
93 HB ILE 14 HB ILE 14 -2.473 -1.911 1.229
94 HG12 ILE 14 HG12 ILE 14 -3.415 -1.381 3.701
95 HG13 ILE 14 HG13 ILE 14 -4.940 -1.655 2.864
96 HG21 ILE 14 HG21 ILE 14 -3.438 0.780 2.141
97 HG22 ILE 14 HG22 ILE 14 -2.173 0.464 0.953
98 HG23 ILE 14 HG23 ILE 14 -1.935 0.002 2.639
99 HD11 ILE 14 HD11 ILE 14 -2.619 -3.569 2.979
100 HD12 ILE 14 HD12 ILE 14 -4.142 -3.845 2.135
101 HD13 ILE 14 HD13 ILE 14 -4.123 -3.696 3.893
102 HA PRO 15 HA PRO 15 -5.154 -4.688 -1.851
103 HB2 PRO 15 HB2 PRO 15 -2.939 -5.350 -3.289
104 HB3 PRO 15 HB3 PRO 15 -4.095 -4.126 -3.842
105 HG2 PRO 15 HG2 PRO 15 -1.456 -3.761 -2.515
106 HG3 PRO 15 HG3 PRO 15 -2.173 -2.876 -3.878
107 HD2 PRO 15 HD2 PRO 15 -2.154 -1.921 -1.342
108 HD3 PRO 15 HD3 PRO 15 -3.413 -1.523 -2.526
109 HA PRO 16 HA PRO 16 -3.170 -7.713 0.810
110 HB2 PRO 16 HB2 PRO 16 -2.781 -9.841 -1.134
111 HB3 PRO 16 HB3 PRO 16 -4.045 -9.690 0.101
112 HG2 PRO 16 HG2 PRO 16 -4.560 -9.546 -2.550
113 HG3 PRO 16 HG3 PRO 16 -5.518 -8.689 -1.323
114 HD2 PRO 16 HD2 PRO 16 -3.314 -7.637 -3.063
115 HD3 PRO 16 HD3 PRO 16 -4.894 -6.910 -2.685
116 H CYS 17 H CYS 17 -1.493 -8.197 -2.317
117 HA CYS 17 HA CYS 17 0.650 -8.535 -2.894
118 HB2 CYS 17 HB2 CYS 17 1.376 -6.453 -0.844
119 HB3 CYS 17 HB3 CYS 17 2.165 -6.783 -2.382
120 H CYS 18 H CYS 18 1.547 -10.392 -2.569
121 HA CYS 18 HA CYS 18 2.288 -11.259 0.105
122 HB2 CYS 18 HB2 CYS 18 2.902 -13.411 -1.139
123 HB3 CYS 18 HB3 CYS 18 1.201 -12.987 -1.053
124 H SER 19 H SER 19 3.781 -10.132 -2.822
125 HA SER 19 HA SER 19 6.423 -10.357 -1.545
126 HB2 SER 19 HB2 SER 19 5.887 -11.107 -4.424
127 HB3 SER 19 HB3 SER 19 7.469 -11.069 -3.645
128 HG SER 19 HG SER 19 6.859 -13.145 -3.463
129 H ASN 20 H ASN 20 4.278 -8.654 -3.638
130 HA ASN 20 HA ASN 20 6.224 -6.775 -4.626
131 HB2 ASN 20 HB2 ASN 20 3.222 -6.927 -4.805
132 HB3 ASN 20 HB3 ASN 20 4.127 -5.580 -5.462
133 HD21 ASN 20 HD21 ASN 20 5.348 -8.872 -5.528
134 HD22 ASN 20 HD22 ASN 20 5.204 -9.087 -7.236
135 H PHE 21 H PHE 21 5.106 -4.300 -4.431
136 HA PHE 21 HA PHE 21 5.059 -3.779 -1.531
137 HB2 PHE 21 HB2 PHE 21 6.212 -1.640 -1.988
138 HB3 PHE 21 HB3 PHE 21 7.175 -3.024 -2.469
139 HD1 PHE 21 HD1 PHE 21 8.067 -3.144 -4.612
140 HD2 PHE 21 HD2 PHE 21 4.938 -0.361 -3.839
141 HE1 PHE 21 HE1 PHE 21 8.443 -2.117 -6.812
142 HE2 PHE 21 HE2 PHE 21 5.308 0.665 -6.043
143 HZ PHE 21 HZ PHE 21 7.063 -0.212 -7.531
144 H CYS 22 H CYS 22 3.883 -1.968 -0.794
145 HA CYS 22 HA CYS 22 1.809 -0.998 -2.649
146 HB2 CYS 22 HB2 CYS 22 0.750 -2.436 -1.009
147 HB3 CYS 22 HB3 CYS 22 1.586 -1.625 0.309
148 H LEU 23 H LEU 23 2.301 0.994 -3.170
149 HA LEU 23 HA LEU 23 4.030 2.619 -1.584
150 HB2 LEU 23 HB2 LEU 23 2.739 2.821 -4.244
151 HB3 LEU 23 HB3 LEU 23 3.285 4.308 -3.502
152 HG LEU 23 HG LEU 23 5.025 1.901 -4.091
153 HD11 LEU 23 HD11 LEU 23 4.603 4.504 -5.527
154 HD12 LEU 23 HD12 LEU 23 4.452 2.862 -6.153
155 HD13 LEU 23 HD13 LEU 23 6.041 3.511 -5.757
156 HD21 LEU 23 HD21 LEU 23 6.120 2.957 -2.321
157 HD22 LEU 23 HD22 LEU 23 5.583 4.562 -2.813
158 HD23 LEU 23 HD23 LEU 23 6.841 3.735 -3.729
159 H ARG 24 H ARG 24 2.237 2.259 0.138
160 HA ARG 24 HA ARG 24 0.285 4.438 0.163
161 HB2 ARG 24 HB2 ARG 24 -0.039 1.909 0.926
162 HB3 ARG 24 HB3 ARG 24 0.637 2.506 2.430
163 HG2 ARG 24 HG2 ARG 24 -1.726 3.858 1.164
164 HG3 ARG 24 HG3 ARG 24 -1.927 2.409 2.143
165 HD2 ARG 24 HD2 ARG 24 -2.242 4.083 3.699
166 HD3 ARG 24 HD3 ARG 24 -0.533 3.718 3.909
167 HE ARG 24 HE ARG 24 -0.613 5.736 2.051
168 HH11 ARG 24 HH11 ARG 24 -1.727 5.379 5.363
169 HH12 ARG 24 HH12 ARG 24 -1.550 7.064 5.725
170 HH21 ARG 24 HH21 ARG 24 -0.393 7.938 2.547
171 HH22 ARG 24 HH22 ARG 24 -0.796 8.509 4.133
172 H TYR 25 H TYR 25 2.612 5.566 0.083
173 HA TYR 25 HA TYR 25 3.973 5.893 2.572
174 HB2 TYR 25 HB2 TYR 25 4.235 6.926 -0.177
175 HB3 TYR 25 HB3 TYR 25 4.823 8.000 1.088
176 HD1 TYR 25 HD1 TYR 25 6.791 7.466 2.354
177 HD2 TYR 25 HD2 TYR 25 5.269 4.716 -0.512
178 HE1 TYR 25 HE1 TYR 25 8.887 6.185 2.478
179 HE2 TYR 25 HE2 TYR 25 7.360 3.427 -0.397
180 HH TYR 25 HH TYR 25 9.711 3.784 0.228
181 H ALA 26 H ALA 26 4.290 8.014 3.630
182 HA ALA 26 HA ALA 26 1.811 9.192 4.378
183 HB1 ALA 26 HB1 ALA 26 3.665 8.905 5.940
184 HB2 ALA 26 HB2 ALA 26 3.131 10.583 5.856
185 HB3 ALA 26 HB3 ALA 26 4.607 10.085 5.029
186 H GLY 27 H GLY 27 4.170 9.975 2.001
187 HA2 GLY 27 HA2 GLY 27 3.169 12.711 1.664
188 HA3 GLY 27 HA3 GLY 27 4.589 12.028 0.887
189 H GLN 28 H GLN 28 2.715 9.588 0.365
190 HA GLN 28 HA GLN 28 1.704 10.601 -2.191
191 HB2 GLN 28 HB2 GLN 28 2.325 7.823 -1.193
192 HB3 GLN 28 HB3 GLN 28 1.441 8.105 -2.684
193 HG2 GLN 28 HG2 GLN 28 4.131 9.344 -2.223
194 HG3 GLN 28 HG3 GLN 28 3.972 7.692 -2.815
195 HE21 GLN 28 HE21 GLN 28 3.493 11.057 -3.531
196 HE22 GLN 28 HE22 GLN 28 3.239 10.871 -5.229
197 H LYS 29 H LYS 29 -0.371 10.085 -2.941
198 HA LYS 29 HA LYS 29 -2.323 9.345 -0.860
199 HB2 LYS 29 HB2 LYS 29 -2.492 11.490 -2.975
200 HB3 LYS 29 HB3 LYS 29 -3.920 10.861 -2.167
201 HG2 LYS 29 HG2 LYS 29 -3.031 11.583 -0.013
202 HG3 LYS 29 HG3 LYS 29 -1.585 12.200 -0.814
203 HD2 LYS 29 HD2 LYS 29 -2.968 13.767 -2.095
204 HD3 LYS 29 HD3 LYS 29 -4.410 13.152 -1.285
205 HE2 LYS 29 HE2 LYS 29 -3.512 13.888 0.868
206 HE3 LYS 29 HE3 LYS 29 -2.067 14.495 0.061
207 HZ1 LYS 29 HZ1 LYS 29 -3.452 16.053 -1.164
208 HZ2 LYS 29 HZ2 LYS 29 -3.641 16.270 0.503
209 HZ3 LYS 29 HZ3 LYS 29 -4.838 15.471 -0.387
210 H SER 30 H SER 30 -0.869 8.207 -3.501
211 HA SER 30 HA SER 30 -2.897 6.319 -4.147
212 HB2 SER 30 HB2 SER 30 -2.194 8.384 -6.263
213 HB3 SER 30 HB3 SER 30 -3.018 6.863 -6.602
214 HG SER 30 HG SER 30 -3.936 9.018 -5.006
215 H GLY 31 H GLY 31 -1.227 4.944 -3.476
216 HA2 GLY 31 HA2 GLY 31 1.280 4.910 -4.947
217 HA3 GLY 31 HA3 GLY 31 0.845 3.873 -3.599
218 H THR 32 H THR 32 1.863 2.174 -5.009
219 HA THR 32 HA THR 32 -0.211 0.851 -6.507
220 HB THR 32 HB THR 32 0.628 2.212 -8.309
221 HG1 THR 32 HG1 THR 32 1.289 -0.524 -8.335
222 HG21 THR 32 HG21 THR 32 3.353 1.260 -7.446
223 HG22 THR 32 HG22 THR 32 2.786 2.913 -7.685
224 HG23 THR 32 HG23 THR 32 3.054 1.865 -9.075
225 H CYS 33 H CYS 33 -0.157 -1.219 -6.097
226 HA CYS 33 HA CYS 33 2.121 -2.463 -4.876
227 HB2 CYS 33 HB2 CYS 33 -0.184 -3.143 -4.271
228 HB3 CYS 33 HB3 CYS 33 -0.399 -3.813 -5.881
229 H ALA 34 H ALA 34 3.793 -2.892 -5.963
230 HA ALA 34 HA ALA 34 3.706 -4.173 -8.590
231 HB1 ALA 34 HB1 ALA 34 5.332 -1.723 -7.914
232 HB2 ALA 34 HB2 ALA 34 3.947 -1.781 -9.002
233 HB3 ALA 34 HB3 ALA 34 5.433 -2.636 -9.419
234 H ASN 35 H ASN 35 5.791 -5.146 -9.164
235 HA ASN 35 HA ASN 35 7.075 -6.247 -6.783
236 HB2 ASN 35 HB2 ASN 35 8.078 -7.898 -8.487
237 HB3 ASN 35 HB3 ASN 35 6.362 -8.022 -8.131
238 HD21 ASN 35 HD21 ASN 35 4.995 -8.054 -9.785
239 HD22 ASN 35 HD22 ASN 35 5.380 -7.639 -11.417
240 H ARG 36 H ARG 36 9.154 -6.046 -6.277
241 HA ARG 36 HA ARG 36 10.741 -4.152 -7.854
242 HB2 ARG 36 HB2 ARG 36 10.219 -4.065 -5.244
243 HB3 ARG 36 HB3 ARG 36 11.626 -5.117 -5.172
244 HG2 ARG 36 HG2 ARG 36 12.956 -3.423 -6.326
245 HG3 ARG 36 HG3 ARG 36 11.542 -2.370 -6.406
246 HD2 ARG 36 HD2 ARG 36 11.444 -2.327 -3.958
247 HD3 ARG 36 HD3 ARG 36 12.864 -3.371 -3.885
248 HE ARG 36 HE ARG 36 13.557 -1.150 -5.402
249 HH11 ARG 36 HH11 ARG 36 12.619 -1.795 -2.079
250 HH12 ARG 36 HH12 ARG 36 13.510 -0.452 -1.447
251 HH21 ARG 36 HH21 ARG 36 14.697 0.903 -2.845
252 HH22 ARG 36 HH22 ARG 36 14.718 0.601 -4.551
Start of MODEL 9
1 H PCA 1 H3 PCA 1 2.427 -14.823 -4.212
2 HA PCA 1 HA PCA 1 0.343 -15.581 -5.160
3 HB2 PCA 1 HB2 PCA 1 -0.240 -16.252 -2.431
4 HB3 PCA 1 HB3 PCA 1 0.585 -17.231 -3.665
5 HG2 PCA 1 HG2 PCA 1 1.718 -15.779 -1.472
6 HG3 PCA 1 HG3 PCA 1 2.511 -16.867 -2.625
7 H CYS 2 H CYS 2 0.029 -12.875 -3.102
8 HA CYS 2 HA CYS 2 -2.889 -12.888 -3.479
9 HB2 CYS 2 HB2 CYS 2 -3.210 -11.882 -1.295
10 HB3 CYS 2 HB3 CYS 2 -2.329 -13.394 -1.127
11 H LYS 3 H LYS 3 -0.040 -11.326 -4.184
12 HA LYS 3 HA LYS 3 -0.881 -8.600 -4.023
13 HB2 LYS 3 HB2 LYS 3 1.141 -8.086 -5.352
14 HB3 LYS 3 HB3 LYS 3 1.508 -9.098 -3.966
15 HG2 LYS 3 HG2 LYS 3 0.965 -10.484 -6.514
16 HG3 LYS 3 HG3 LYS 3 2.465 -9.564 -6.401
17 HD2 LYS 3 HD2 LYS 3 3.082 -10.811 -4.387
18 HD3 LYS 3 HD3 LYS 3 1.576 -11.722 -4.483
19 HE2 LYS 3 HE2 LYS 3 3.225 -13.124 -5.415
20 HE3 LYS 3 HE3 LYS 3 2.331 -12.467 -6.784
21 HZ1 LYS 3 HZ1 LYS 3 4.096 -10.846 -7.110
22 HZ2 LYS 3 HZ2 LYS 3 4.711 -12.420 -7.180
23 HZ3 LYS 3 HZ3 LYS 3 4.953 -11.478 -5.795
24 HA PRO 4 HA PRO 4 -2.968 -8.588 -8.009
25 HB2 PRO 4 HB2 PRO 4 -3.528 -5.839 -7.975
26 HB3 PRO 4 HB3 PRO 4 -4.517 -7.108 -7.238
27 HG2 PRO 4 HG2 PRO 4 -3.151 -5.080 -5.872
28 HG3 PRO 4 HG3 PRO 4 -3.887 -6.522 -5.159
29 HD2 PRO 4 HD2 PRO 4 -1.033 -6.014 -5.874
30 HD3 PRO 4 HD3 PRO 4 -1.718 -6.934 -4.516
31 H ASN 5 H ASN 5 -0.197 -6.636 -7.405
32 HA ASN 5 HA ASN 5 1.224 -5.362 -8.628
33 HB2 ASN 5 HB2 ASN 5 1.505 -6.795 -11.044
34 HB3 ASN 5 HB3 ASN 5 2.546 -6.843 -9.632
35 HD21 ASN 5 HD21 ASN 5 2.504 -8.589 -8.305
36 HD22 ASN 5 HD22 ASN 5 1.624 -10.035 -8.654
37 H GLY 6 H GLY 6 0.406 -3.483 -9.109
38 HA2 GLY 6 HA2 GLY 6 0.116 -1.970 -11.008
39 HA3 GLY 6 HA3 GLY 6 -0.955 -3.173 -11.711
40 H ALA 7 H ALA 7 -1.311 -2.847 -8.339
41 HA ALA 7 HA ALA 7 -3.858 -1.437 -8.713
42 HB1 ALA 7 HB1 ALA 7 -2.869 -2.903 -6.273
43 HB2 ALA 7 HB2 ALA 7 -3.848 -3.627 -7.548
44 HB3 ALA 7 HB3 ALA 7 -4.505 -2.317 -6.570
45 H LYS 8 H LYS 8 -4.474 0.307 -7.317
46 HA LYS 8 HA LYS 8 -2.196 1.947 -6.533
47 HB2 LYS 8 HB2 LYS 8 -4.853 2.433 -7.559
48 HB3 LYS 8 HB3 LYS 8 -4.537 3.410 -6.131
49 HG2 LYS 8 HG2 LYS 8 -2.781 4.539 -7.134
50 HG3 LYS 8 HG3 LYS 8 -2.542 3.285 -8.353
51 HD2 LYS 8 HD2 LYS 8 -4.611 3.893 -9.441
52 HD3 LYS 8 HD3 LYS 8 -4.964 5.071 -8.176
53 HE2 LYS 8 HE2 LYS 8 -2.970 6.345 -8.813
54 HE3 LYS 8 HE3 LYS 8 -2.624 5.167 -10.079
55 HZ1 LYS 8 HZ1 LYS 8 -4.716 5.751 -11.142
56 HZ2 LYS 8 HZ2 LYS 8 -3.732 7.115 -10.970
57 HZ3 LYS 8 HZ3 LYS 8 -5.043 6.883 -9.928
58 H CYS 9 H CYS 9 -1.713 2.583 -4.566
59 HA CYS 9 HA CYS 9 -3.303 1.592 -2.290
60 HB2 CYS 9 HB2 CYS 9 -0.398 2.374 -2.593
61 HB3 CYS 9 HB3 CYS 9 -1.147 2.161 -1.018
62 H THR 10 H THR 10 -3.900 3.013 -0.631
63 HA THR 10 HA THR 10 -3.248 5.842 -0.876
64 HB THR 10 HB THR 10 -5.764 6.383 -0.567
65 HG1 THR 10 HG1 THR 10 -5.801 3.694 -1.355
66 HG21 THR 10 HG21 THR 10 -4.717 5.422 -3.235
67 HG22 THR 10 HG22 THR 10 -4.468 7.022 -2.538
68 HG23 THR 10 HG23 THR 10 -6.089 6.505 -2.999
69 H GLU 11 H GLU 11 -4.261 7.122 0.950
70 HA GLU 11 HA GLU 11 -3.427 6.152 3.426
71 HB2 GLU 11 HB2 GLU 11 -5.487 8.322 3.053
72 HB3 GLU 11 HB3 GLU 11 -4.370 8.127 4.396
73 HG2 GLU 11 HG2 GLU 11 -2.514 8.462 2.712
74 HG3 GLU 11 HG3 GLU 11 -3.769 8.968 1.584
75 H ILE 12 H ILE 12 -6.364 5.574 1.808
76 HA ILE 12 HA ILE 12 -7.562 4.481 4.267
77 HB ILE 12 HB ILE 12 -9.633 4.727 2.403
78 HG12 ILE 12 HG12 ILE 12 -9.606 7.310 2.183
79 HG13 ILE 12 HG13 ILE 12 -7.868 7.171 2.416
80 HG21 ILE 12 HG21 ILE 12 -8.968 6.392 4.821
81 HG22 ILE 12 HG22 ILE 12 -9.857 4.868 4.801
82 HG23 ILE 12 HG23 ILE 12 -10.550 6.303 4.046
83 HD11 ILE 12 HD11 ILE 12 -8.381 7.306 0.069
84 HD12 ILE 12 HD12 ILE 12 -9.482 5.934 0.198
85 HD13 ILE 12 HD13 ILE 12 -7.751 5.703 0.445
86 H SER 13 H SER 13 -6.326 3.629 1.194
87 HA SER 13 HA SER 13 -7.543 0.986 1.483
88 HB2 SER 13 HB2 SER 13 -7.396 2.497 -1.129
89 HB3 SER 13 HB3 SER 13 -7.907 0.817 -0.958
90 HG SER 13 HG SER 13 -9.258 3.153 -0.368
91 H ILE 14 H ILE 14 -6.393 -0.745 0.928
92 HA ILE 14 HA ILE 14 -3.857 -0.555 -0.445
93 HB ILE 14 HB ILE 14 -2.556 -1.713 1.340
94 HG12 ILE 14 HG12 ILE 14 -3.616 -1.072 3.749
95 HG13 ILE 14 HG13 ILE 14 -5.090 -1.428 2.852
96 HG21 ILE 14 HG21 ILE 14 -2.228 0.644 0.999
97 HG22 ILE 14 HG22 ILE 14 -2.100 0.256 2.715
98 HG23 ILE 14 HG23 ILE 14 -3.565 1.014 2.089
99 HD11 ILE 14 HD11 ILE 14 -4.269 -3.394 4.019
100 HD12 ILE 14 HD12 ILE 14 -2.731 -3.271 3.166
101 HD13 ILE 14 HD13 ILE 14 -4.208 -3.628 2.272
102 HA PRO 15 HA PRO 15 -5.312 -4.701 -1.454
103 HB2 PRO 15 HB2 PRO 15 -3.287 -5.522 -3.030
104 HB3 PRO 15 HB3 PRO 15 -4.383 -4.229 -3.547
105 HG2 PRO 15 HG2 PRO 15 -1.641 -4.034 -2.401
106 HG3 PRO 15 HG3 PRO 15 -2.359 -3.168 -3.777
107 HD2 PRO 15 HD2 PRO 15 -2.145 -2.093 -1.271
108 HD3 PRO 15 HD3 PRO 15 -3.395 -1.624 -2.440
109 HA PRO 16 HA PRO 16 -3.160 -7.562 1.265
110 HB2 PRO 16 HB2 PRO 16 -2.695 -9.772 -0.553
111 HB3 PRO 16 HB3 PRO 16 -3.962 -9.606 0.673
112 HG2 PRO 16 HG2 PRO 16 -4.464 -9.625 -1.995
113 HG3 PRO 16 HG3 PRO 16 -5.482 -8.787 -0.809
114 HD2 PRO 16 HD2 PRO 16 -3.386 -7.672 -2.618
115 HD3 PRO 16 HD3 PRO 16 -4.989 -7.018 -2.212
116 H CYS 17 H CYS 17 -1.503 -7.977 -1.875
117 HA CYS 17 HA CYS 17 0.650 -8.346 -2.463
118 HB2 CYS 17 HB2 CYS 17 1.413 -6.274 -0.425
119 HB3 CYS 17 HB3 CYS 17 2.165 -6.605 -1.981
120 H CYS 18 H CYS 18 1.340 -10.324 -1.987
121 HA CYS 18 HA CYS 18 2.189 -10.997 0.714
122 HB2 CYS 18 HB2 CYS 18 1.764 -12.602 -1.789
123 HB3 CYS 18 HB3 CYS 18 2.607 -13.284 -0.403
124 H SER 19 H SER 19 3.545 -10.397 -2.429
125 HA SER 19 HA SER 19 6.243 -10.563 -1.269
126 HB2 SER 19 HB2 SER 19 5.486 -11.459 -4.059
127 HB3 SER 19 HB3 SER 19 7.117 -11.445 -3.390
128 HG SER 19 HG SER 19 5.608 -13.456 -3.318
129 H ASN 20 H ASN 20 3.958 -8.867 -3.136
130 HA ASN 20 HA ASN 20 5.850 -7.062 -4.375
131 HB2 ASN 20 HB2 ASN 20 2.848 -7.261 -4.343
132 HB3 ASN 20 HB3 ASN 20 3.667 -5.881 -5.054
133 HD21 ASN 20 HD21 ASN 20 4.938 -9.156 -5.187
134 HD22 ASN 20 HD22 ASN 20 4.715 -9.372 -6.887
135 H PHE 21 H PHE 21 4.851 -4.593 -4.158
136 HA PHE 21 HA PHE 21 4.912 -4.014 -1.271
137 HB2 PHE 21 HB2 PHE 21 6.096 -1.901 -1.868
138 HB3 PHE 21 HB3 PHE 21 7.015 -3.349 -2.237
139 HD1 PHE 21 HD1 PHE 21 4.804 -0.790 -3.834
140 HD2 PHE 21 HD2 PHE 21 7.937 -3.625 -4.334
141 HE1 PHE 21 HE1 PHE 21 5.222 0.070 -6.104
142 HE2 PHE 21 HE2 PHE 21 8.355 -2.777 -6.603
143 HZ PHE 21 HZ PHE 21 6.998 -0.924 -7.490
144 H CYS 22 H CYS 22 3.826 -2.140 -0.545
145 HA CYS 22 HA CYS 22 1.749 -1.132 -2.373
146 HB2 CYS 22 HB2 CYS 22 0.704 -2.514 -0.660
147 HB3 CYS 22 HB3 CYS 22 1.559 -1.646 0.609
148 H LEU 23 H LEU 23 2.422 0.799 -2.985
149 HA LEU 23 HA LEU 23 4.160 2.410 -1.381
150 HB2 LEU 23 HB2 LEU 23 2.946 2.673 -4.094
151 HB3 LEU 23 HB3 LEU 23 3.722 4.055 -3.356
152 HG LEU 23 HG LEU 23 5.024 1.398 -3.979
153 HD11 LEU 23 HD11 LEU 23 4.611 2.622 -5.980
154 HD12 LEU 23 HD12 LEU 23 6.323 2.781 -5.591
155 HD13 LEU 23 HD13 LEU 23 5.216 4.114 -5.261
156 HD21 LEU 23 HD21 LEU 23 6.271 2.127 -2.162
157 HD22 LEU 23 HD22 LEU 23 6.000 3.831 -2.525
158 HD23 LEU 23 HD23 LEU 23 7.127 2.891 -3.502
159 H ARG 24 H ARG 24 2.109 2.115 0.159
160 HA ARG 24 HA ARG 24 0.213 4.293 -0.002
161 HB2 ARG 24 HB2 ARG 24 -0.103 1.916 1.044
162 HB3 ARG 24 HB3 ARG 24 0.691 2.603 2.447
163 HG2 ARG 24 HG2 ARG 24 -1.743 3.913 1.264
164 HG3 ARG 24 HG3 ARG 24 -1.893 2.544 2.362
165 HD2 ARG 24 HD2 ARG 24 -0.290 3.979 3.876
166 HD3 ARG 24 HD3 ARG 24 -0.908 5.312 2.904
167 HE ARG 24 HE ARG 24 -3.178 4.486 3.626
168 HH11 ARG 24 HH11 ARG 24 -0.338 4.010 5.641
169 HH12 ARG 24 HH12 ARG 24 -1.249 3.953 7.112
170 HH21 ARG 24 HH21 ARG 24 -4.350 4.397 5.572
171 HH22 ARG 24 HH22 ARG 24 -3.514 4.171 7.073
172 H TYR 25 H TYR 25 2.068 5.797 -0.237
173 HA TYR 25 HA TYR 25 3.637 6.441 2.092
174 HB2 TYR 25 HB2 TYR 25 3.799 6.938 -0.695
175 HB3 TYR 25 HB3 TYR 25 3.754 8.502 0.114
176 HD1 TYR 25 HD1 TYR 25 5.555 9.189 1.597
177 HD2 TYR 25 HD2 TYR 25 5.659 5.413 -0.361
178 HE1 TYR 25 HE1 TYR 25 7.940 8.974 2.152
179 HE2 TYR 25 HE2 TYR 25 8.046 5.187 0.189
180 HH TYR 25 HH TYR 25 9.614 7.194 2.429
181 H ALA 26 H ALA 26 3.674 8.585 3.067
182 HA ALA 26 HA ALA 26 1.006 9.578 3.590
183 HB1 ALA 26 HB1 ALA 26 2.039 10.884 5.351
184 HB2 ALA 26 HB2 ALA 26 3.641 10.434 4.762
185 HB3 ALA 26 HB3 ALA 26 2.567 9.203 5.429
186 H GLY 27 H GLY 27 3.697 10.478 1.659
187 HA2 GLY 27 HA2 GLY 27 2.680 13.217 1.300
188 HA3 GLY 27 HA3 GLY 27 4.281 12.660 0.848
189 H GLN 28 H GLN 28 2.542 10.189 -0.191
190 HA GLN 28 HA GLN 28 2.273 11.284 -2.885
191 HB2 GLN 28 HB2 GLN 28 2.481 8.472 -1.840
192 HB3 GLN 28 HB3 GLN 28 2.010 8.812 -3.499
193 HG2 GLN 28 HG2 GLN 28 4.147 10.036 -3.803
194 HG3 GLN 28 HG3 GLN 28 4.618 9.540 -2.179
195 HE21 GLN 28 HE21 GLN 28 5.149 7.397 -1.790
196 HE22 GLN 28 HE22 GLN 28 5.476 6.278 -3.064
197 H LYS 29 H LYS 29 0.474 9.332 -0.574
198 HA LYS 29 HA LYS 29 -1.730 8.897 -0.226
199 HB2 LYS 29 HB2 LYS 29 -2.077 11.460 -1.799
200 HB3 LYS 29 HB3 LYS 29 -3.414 10.600 -1.051
201 HG2 LYS 29 HG2 LYS 29 -2.386 10.903 1.145
202 HG3 LYS 29 HG3 LYS 29 -1.038 11.760 0.394
203 HD2 LYS 29 HD2 LYS 29 -2.586 13.474 -0.421
204 HD3 LYS 29 HD3 LYS 29 -3.931 12.616 0.330
205 HE2 LYS 29 HE2 LYS 29 -2.906 12.933 2.527
206 HE3 LYS 29 HE3 LYS 29 -1.555 13.782 1.779
207 HZ1 LYS 29 HZ1 LYS 29 -3.164 15.327 2.693
208 HZ2 LYS 29 HZ2 LYS 29 -4.392 14.664 1.736
209 HZ3 LYS 29 HZ3 LYS 29 -3.100 15.477 1.009
210 H SER 30 H SER 30 -0.259 8.157 -2.865
211 HA SER 30 HA SER 30 -2.350 6.565 -3.970
212 HB2 SER 30 HB2 SER 30 -2.177 7.480 -6.311
213 HB3 SER 30 HB3 SER 30 -2.966 8.576 -5.178
214 HG SER 30 HG SER 30 -1.538 9.938 -5.925
215 H GLY 31 H GLY 31 -0.979 4.886 -3.516
216 HA2 GLY 31 HA2 GLY 31 1.640 4.830 -4.848
217 HA3 GLY 31 HA3 GLY 31 1.142 3.796 -3.519
218 H THR 32 H THR 32 2.033 2.053 -4.918
219 HA THR 32 HA THR 32 -0.102 0.871 -6.445
220 HB THR 32 HB THR 32 0.824 2.168 -8.247
221 HG1 THR 32 HG1 THR 32 1.564 -0.574 -8.330
222 HG21 THR 32 HG21 THR 32 3.237 1.730 -8.987
223 HG22 THR 32 HG22 THR 32 3.500 1.096 -7.362
224 HG23 THR 32 HG23 THR 32 3.006 2.774 -7.586
225 H CYS 33 H CYS 33 -0.187 -1.175 -5.813
226 HA CYS 33 HA CYS 33 2.069 -2.511 -4.665
227 HB2 CYS 33 HB2 CYS 33 -0.243 -3.046 -3.927
228 HB3 CYS 33 HB3 CYS 33 -0.566 -3.766 -5.500
229 H ALA 34 H ALA 34 3.662 -3.172 -5.759
230 HA ALA 34 HA ALA 34 3.383 -4.572 -8.304
231 HB1 ALA 34 HB1 ALA 34 5.241 -3.192 -9.239
232 HB2 ALA 34 HB2 ALA 34 5.091 -2.132 -7.838
233 HB3 ALA 34 HB3 ALA 34 3.749 -2.291 -8.968
234 H ASN 35 H ASN 35 5.464 -5.630 -8.921
235 HA ASN 35 HA ASN 35 6.753 -6.682 -6.515
236 HB2 ASN 35 HB2 ASN 35 7.650 -8.447 -8.169
237 HB3 ASN 35 HB3 ASN 35 5.944 -8.494 -7.757
238 HD21 ASN 35 HD21 ASN 35 4.517 -8.530 -9.362
239 HD22 ASN 35 HD22 ASN 35 4.867 -8.214 -11.024
240 H ARG 36 H ARG 36 8.839 -6.489 -6.056
241 HA ARG 36 HA ARG 36 10.458 -4.788 -7.813
242 HB2 ARG 36 HB2 ARG 36 9.954 -4.438 -5.214
243 HB3 ARG 36 HB3 ARG 36 11.353 -5.492 -5.059
244 HG2 ARG 36 HG2 ARG 36 12.688 -3.938 -6.372
245 HG3 ARG 36 HG3 ARG 36 11.284 -2.889 -6.573
246 HD2 ARG 36 HD2 ARG 36 11.182 -2.587 -4.138
247 HD3 ARG 36 HD3 ARG 36 12.606 -3.611 -3.958
248 HE ARG 36 HE ARG 36 13.372 -1.624 -5.683
249 HH11 ARG 36 HH11 ARG 36 12.114 -1.681 -2.404
250 HH12 ARG 36 HH12 ARG 36 12.930 -0.224 -1.944
251 HH21 ARG 36 HH21 ARG 36 14.240 0.885 -3.445
252 HH22 ARG 36 HH22 ARG 36 14.430 0.281 -5.057
Start of MODEL 10
1 H PCA 1 H3 PCA 1 1.709 -13.541 -3.763
2 HA PCA 1 HA PCA 1 0.269 -15.787 -5.068
3 HB2 PCA 1 HB2 PCA 1 0.235 -15.700 -2.198
4 HB3 PCA 1 HB3 PCA 1 0.897 -16.959 -3.266
5 HG2 PCA 1 HG2 PCA 1 2.331 -15.089 -1.740
6 HG3 PCA 1 HG3 PCA 1 2.965 -16.235 -2.934
7 H CYS 2 H CYS 2 0.120 -12.815 -3.252
8 HA CYS 2 HA CYS 2 -2.806 -12.826 -3.527
9 HB2 CYS 2 HB2 CYS 2 -3.100 -11.843 -1.339
10 HB3 CYS 2 HB3 CYS 2 -2.188 -13.337 -1.182
11 H LYS 3 H LYS 3 -0.011 -11.306 -4.396
12 HA LYS 3 HA LYS 3 -0.805 -8.566 -4.185
13 HB2 LYS 3 HB2 LYS 3 1.149 -8.044 -5.562
14 HB3 LYS 3 HB3 LYS 3 1.587 -9.164 -4.286
15 HG2 LYS 3 HG2 LYS 3 0.853 -10.315 -6.919
16 HG3 LYS 3 HG3 LYS 3 2.398 -9.474 -6.787
17 HD2 LYS 3 HD2 LYS 3 2.991 -10.930 -4.879
18 HD3 LYS 3 HD3 LYS 3 1.470 -11.797 -5.091
19 HE2 LYS 3 HE2 LYS 3 3.108 -13.104 -6.172
20 HE3 LYS 3 HE3 LYS 3 2.228 -12.279 -7.457
21 HZ1 LYS 3 HZ1 LYS 3 4.610 -12.219 -7.839
22 HZ2 LYS 3 HZ2 LYS 3 4.860 -11.449 -6.354
23 HZ3 LYS 3 HZ3 LYS 3 4.016 -10.654 -7.586
24 HA PRO 4 HA PRO 4 -3.239 -8.640 -7.977
25 HB2 PRO 4 HB2 PRO 4 -3.810 -5.881 -7.922
26 HB3 PRO 4 HB3 PRO 4 -4.759 -7.161 -7.154
27 HG2 PRO 4 HG2 PRO 4 -3.367 -5.140 -5.824
28 HG3 PRO 4 HG3 PRO 4 -4.016 -6.621 -5.099
29 HD2 PRO 4 HD2 PRO 4 -1.226 -6.014 -5.976
30 HD3 PRO 4 HD3 PRO 4 -1.798 -6.961 -4.588
31 H ASN 5 H ASN 5 -0.552 -6.508 -7.573
32 HA ASN 5 HA ASN 5 0.851 -5.359 -8.908
33 HB2 ASN 5 HB2 ASN 5 0.320 -7.167 -11.229
34 HB3 ASN 5 HB3 ASN 5 1.836 -6.476 -10.675
35 HD21 ASN 5 HD21 ASN 5 3.173 -7.777 -9.672
36 HD22 ASN 5 HD22 ASN 5 2.767 -9.282 -8.929
37 H GLY 6 H GLY 6 0.326 -3.399 -9.460
38 HA2 GLY 6 HA2 GLY 6 -0.250 -1.765 -11.072
39 HA3 GLY 6 HA3 GLY 6 -1.288 -2.944 -11.862
40 H ALA 7 H ALA 7 -1.473 -2.677 -8.422
41 HA ALA 7 HA ALA 7 -4.169 -1.537 -8.652
42 HB1 ALA 7 HB1 ALA 7 -4.017 -3.646 -7.475
43 HB2 ALA 7 HB2 ALA 7 -4.478 -2.371 -6.349
44 HB3 ALA 7 HB3 ALA 7 -2.821 -2.974 -6.368
45 H LYS 8 H LYS 8 -4.859 -0.025 -6.870
46 HA LYS 8 HA LYS 8 -2.852 2.058 -6.571
47 HB2 LYS 8 HB2 LYS 8 -5.748 1.936 -6.726
48 HB3 LYS 8 HB3 LYS 8 -5.203 2.966 -5.409
49 HG2 LYS 8 HG2 LYS 8 -4.092 4.421 -6.841
50 HG3 LYS 8 HG3 LYS 8 -4.058 3.247 -8.159
51 HD2 LYS 8 HD2 LYS 8 -6.455 3.453 -8.444
52 HD3 LYS 8 HD3 LYS 8 -6.549 4.549 -7.066
53 HE2 LYS 8 HE2 LYS 8 -5.147 6.164 -8.258
54 HE3 LYS 8 HE3 LYS 8 -5.051 5.065 -9.633
55 HZ1 LYS 8 HZ1 LYS 8 -7.538 6.305 -8.582
56 HZ2 LYS 8 HZ2 LYS 8 -7.445 5.252 -9.902
57 HZ3 LYS 8 HZ3 LYS 8 -6.716 6.776 -9.985
58 H CYS 9 H CYS 9 -2.091 2.866 -4.714
59 HA CYS 9 HA CYS 9 -2.850 1.551 -2.188
60 HB2 CYS 9 HB2 CYS 9 -0.219 1.889 -3.476
61 HB3 CYS 9 HB3 CYS 9 -0.255 2.318 -1.773
62 H THR 10 H THR 10 -4.266 3.241 -1.684
63 HA THR 10 HA THR 10 -3.153 5.935 -1.412
64 HB THR 10 HB THR 10 -5.596 6.497 -0.803
65 HG1 THR 10 HG1 THR 10 -5.763 3.811 -1.554
66 HG21 THR 10 HG21 THR 10 -6.222 6.632 -3.174
67 HG22 THR 10 HG22 THR 10 -4.902 5.535 -3.580
68 HG23 THR 10 HG23 THR 10 -4.550 7.130 -2.916
69 H GLU 11 H GLU 11 -3.800 7.192 0.520
70 HA GLU 11 HA GLU 11 -2.679 6.254 2.843
71 HB2 GLU 11 HB2 GLU 11 -3.103 8.624 2.236
72 HB3 GLU 11 HB3 GLU 11 -4.796 8.391 2.640
73 HG2 GLU 11 HG2 GLU 11 -4.298 8.067 4.928
74 HG3 GLU 11 HG3 GLU 11 -2.569 7.956 4.603
75 H ILE 12 H ILE 12 -5.920 5.692 1.799
76 HA ILE 12 HA ILE 12 -6.585 4.493 4.392
77 HB ILE 12 HB ILE 12 -8.672 5.298 2.396
78 HG12 ILE 12 HG12 ILE 12 -7.393 7.364 2.706
79 HG13 ILE 12 HG13 ILE 12 -8.955 7.494 3.496
80 HG21 ILE 12 HG21 ILE 12 -10.077 5.512 4.389
81 HG22 ILE 12 HG22 ILE 12 -8.705 5.029 5.386
82 HG23 ILE 12 HG23 ILE 12 -9.380 3.902 4.211
83 HD11 ILE 12 HD11 ILE 12 -6.340 6.947 4.901
84 HD12 ILE 12 HD12 ILE 12 -7.910 7.190 5.667
85 HD13 ILE 12 HD13 ILE 12 -7.140 8.515 4.795
86 H SER 13 H SER 13 -5.882 3.750 1.146
87 HA SER 13 HA SER 13 -7.153 1.131 1.473
88 HB2 SER 13 HB2 SER 13 -7.056 2.712 -1.098
89 HB3 SER 13 HB3 SER 13 -7.642 1.057 -0.951
90 HG SER 13 HG SER 13 -8.719 3.297 0.419
91 H ILE 14 H ILE 14 -6.016 -0.615 1.043
92 HA ILE 14 HA ILE 14 -3.578 -0.501 -0.521
93 HB ILE 14 HB ILE 14 -2.169 -1.589 1.223
94 HG12 ILE 14 HG12 ILE 14 -3.065 -0.873 3.666
95 HG13 ILE 14 HG13 ILE 14 -4.607 -1.226 2.888
96 HG21 ILE 14 HG21 ILE 14 -1.902 0.764 0.763
97 HG22 ILE 14 HG22 ILE 14 -1.637 0.438 2.476
98 HG23 ILE 14 HG23 ILE 14 -3.155 1.158 1.941
99 HD11 ILE 14 HD11 ILE 14 -3.807 -3.462 2.323
100 HD12 ILE 14 HD12 ILE 14 -3.744 -3.170 4.061
101 HD13 ILE 14 HD13 ILE 14 -2.265 -3.106 3.100
102 HA PRO 15 HA PRO 15 -5.068 -4.656 -1.413
103 HB2 PRO 15 HB2 PRO 15 -3.041 -5.514 -2.986
104 HB3 PRO 15 HB3 PRO 15 -4.168 -4.259 -3.531
105 HG2 PRO 15 HG2 PRO 15 -1.415 -3.973 -2.427
106 HG3 PRO 15 HG3 PRO 15 -2.165 -3.169 -3.824
107 HD2 PRO 15 HD2 PRO 15 -1.940 -1.990 -1.382
108 HD3 PRO 15 HD3 PRO 15 -3.244 -1.620 -2.527
109 HA PRO 16 HA PRO 16 -2.896 -7.477 1.329
110 HB2 PRO 16 HB2 PRO 16 -2.568 -9.754 -0.434
111 HB3 PRO 16 HB3 PRO 16 -3.791 -9.505 0.822
112 HG2 PRO 16 HG2 PRO 16 -4.369 -9.586 -1.832
113 HG3 PRO 16 HG3 PRO 16 -5.327 -8.687 -0.641
114 HD2 PRO 16 HD2 PRO 16 -3.251 -7.682 -2.538
115 HD3 PRO 16 HD3 PRO 16 -4.823 -6.972 -2.107
116 H CYS 17 H CYS 17 -1.375 -8.077 -1.852
117 HA CYS 17 HA CYS 17 0.747 -8.520 -2.507
118 HB2 CYS 17 HB2 CYS 17 1.624 -6.376 -0.588
119 HB3 CYS 17 HB3 CYS 17 2.319 -6.793 -2.149
120 H CYS 18 H CYS 18 1.438 -10.473 -1.979
121 HA CYS 18 HA CYS 18 2.412 -11.019 0.718
122 HB2 CYS 18 HB2 CYS 18 1.825 -12.808 -1.636
123 HB3 CYS 18 HB3 CYS 18 2.588 -13.392 -0.162
124 H SER 19 H SER 19 3.551 -10.486 -2.491
125 HA SER 19 HA SER 19 6.317 -10.835 -1.561
126 HB2 SER 19 HB2 SER 19 5.193 -11.777 -4.207
127 HB3 SER 19 HB3 SER 19 6.918 -11.680 -3.852
128 HG SER 19 HG SER 19 6.626 -13.626 -3.106
129 H ASN 20 H ASN 20 4.022 -8.846 -2.902
130 HA ASN 20 HA ASN 20 5.952 -7.193 -4.352
131 HB2 ASN 20 HB2 ASN 20 2.949 -7.311 -4.298
132 HB3 ASN 20 HB3 ASN 20 3.791 -5.926 -4.973
133 HD21 ASN 20 HD21 ASN 20 5.625 -8.700 -5.450
134 HD22 ASN 20 HD22 ASN 20 5.119 -9.059 -7.062
135 H PHE 21 H PHE 21 4.820 -4.726 -4.130
136 HA PHE 21 HA PHE 21 5.137 -4.074 -1.279
137 HB2 PHE 21 HB2 PHE 21 6.359 -2.096 -1.910
138 HB3 PHE 21 HB3 PHE 21 7.089 -3.469 -2.715
139 HD1 PHE 21 HD1 PHE 21 7.627 -0.697 -3.418
140 HD2 PHE 21 HD2 PHE 21 4.612 -3.307 -4.908
141 HE1 PHE 21 HE1 PHE 21 7.574 0.576 -5.518
142 HE2 PHE 21 HE2 PHE 21 4.556 -2.032 -7.003
143 HZ PHE 21 HZ PHE 21 6.036 -0.093 -7.318
144 H CYS 22 H CYS 22 4.455 -1.633 -0.998
145 HA CYS 22 HA CYS 22 2.004 -1.002 -2.455
146 HB2 CYS 22 HB2 CYS 22 1.257 -2.155 -0.409
147 HB3 CYS 22 HB3 CYS 22 2.213 -1.050 0.572
148 H LEU 23 H LEU 23 2.388 0.932 -3.302
149 HA LEU 23 HA LEU 23 4.397 2.658 -2.179
150 HB2 LEU 23 HB2 LEU 23 2.736 2.715 -4.665
151 HB3 LEU 23 HB3 LEU 23 3.638 4.134 -4.178
152 HG LEU 23 HG LEU 23 4.732 1.418 -4.924
153 HD11 LEU 23 HD11 LEU 23 4.237 3.832 -6.350
154 HD12 LEU 23 HD12 LEU 23 4.942 2.324 -6.934
155 HD13 LEU 23 HD13 LEU 23 5.979 3.580 -6.260
156 HD21 LEU 23 HD21 LEU 23 6.246 1.949 -3.259
157 HD22 LEU 23 HD22 LEU 23 6.040 3.687 -3.473
158 HD23 LEU 23 HD23 LEU 23 6.982 2.761 -4.640
159 H ARG 24 H ARG 24 2.262 2.271 -0.503
160 HA ARG 24 HA ARG 24 0.587 4.630 -0.415
161 HB2 ARG 24 HB2 ARG 24 0.118 2.182 0.442
162 HB3 ARG 24 HB3 ARG 24 0.957 2.720 1.881
163 HG2 ARG 24 HG2 ARG 24 -1.356 4.311 0.836
164 HG3 ARG 24 HG3 ARG 24 -1.650 2.829 1.738
165 HD2 ARG 24 HD2 ARG 24 -1.657 4.297 3.476
166 HD3 ARG 24 HD3 ARG 24 0.070 3.963 3.425
167 HE ARG 24 HE ARG 24 -0.303 6.111 1.753
168 HH11 ARG 24 HH11 ARG 24 -0.913 5.468 5.152
169 HH12 ARG 24 HH12 ARG 24 -0.711 7.123 5.621
170 HH21 ARG 24 HH21 ARG 24 -0.065 8.278 2.389
171 HH22 ARG 24 HH22 ARG 24 -0.232 8.711 4.058
172 H TYR 25 H TYR 25 2.806 5.787 -0.612
173 HA TYR 25 HA TYR 25 4.547 6.060 1.577
174 HB2 TYR 25 HB2 TYR 25 4.127 7.373 -1.001
175 HB3 TYR 25 HB3 TYR 25 4.749 8.457 0.238
176 HD1 TYR 25 HD1 TYR 25 5.460 5.496 -1.803
177 HD2 TYR 25 HD2 TYR 25 6.959 8.130 1.184
178 HE1 TYR 25 HE1 TYR 25 7.725 4.608 -2.164
179 HE2 TYR 25 HE2 TYR 25 9.228 7.249 0.830
180 HH TYR 25 HH TYR 25 10.299 5.215 -0.040
181 H ALA 26 H ALA 26 4.883 7.909 2.964
182 HA ALA 26 HA ALA 26 2.450 8.871 4.153
183 HB1 ALA 26 HB1 ALA 26 3.899 9.886 5.822
184 HB2 ALA 26 HB2 ALA 26 5.313 9.517 4.835
185 HB3 ALA 26 HB3 ALA 26 4.356 8.209 5.529
186 H GLY 27 H GLY 27 1.407 10.278 2.861
187 HA2 GLY 27 HA2 GLY 27 1.256 12.776 2.711
188 HA3 GLY 27 HA3 GLY 27 2.861 12.701 1.998
189 H GLN 28 H GLN 28 2.053 10.172 0.566
190 HA GLN 28 HA GLN 28 0.798 11.484 -1.729
191 HB2 GLN 28 HB2 GLN 28 2.348 8.911 -1.439
192 HB3 GLN 28 HB3 GLN 28 1.508 9.350 -2.919
193 HG2 GLN 28 HG2 GLN 28 2.879 11.364 -3.104
194 HG3 GLN 28 HG3 GLN 28 3.720 10.928 -1.618
195 HE21 GLN 28 HE21 GLN 28 3.265 10.194 -4.982
196 HE22 GLN 28 HE22 GLN 28 4.635 9.155 -5.152
197 H LYS 29 H LYS 29 -0.918 10.539 -2.877
198 HA LYS 29 HA LYS 29 -2.459 8.474 -1.460
199 HB2 LYS 29 HB2 LYS 29 -3.447 11.135 -2.484
200 HB3 LYS 29 HB3 LYS 29 -4.538 9.788 -2.196
201 HG2 LYS 29 HG2 LYS 29 -3.864 9.743 0.153
202 HG3 LYS 29 HG3 LYS 29 -2.768 11.095 -0.137
203 HD2 LYS 29 HD2 LYS 29 -4.669 12.495 -0.785
204 HD3 LYS 29 HD3 LYS 29 -5.765 11.141 -0.496
205 HE2 LYS 29 HE2 LYS 29 -5.098 11.108 1.858
206 HE3 LYS 29 HE3 LYS 29 -4.003 12.459 1.567
207 HZ1 LYS 29 HZ1 LYS 29 -6.088 13.204 2.526
208 HZ2 LYS 29 HZ2 LYS 29 -6.955 12.525 1.241
209 HZ3 LYS 29 HZ3 LYS 29 -5.905 13.822 0.960
210 H SER 30 H SER 30 -0.729 8.006 -3.615
211 HA SER 30 HA SER 30 -2.553 6.857 -5.532
212 HB2 SER 30 HB2 SER 30 -0.515 8.914 -6.448
213 HB3 SER 30 HB3 SER 30 -1.448 7.871 -7.521
214 HG SER 30 HG SER 30 -3.324 8.883 -6.815
215 H GLY 31 H GLY 31 -1.134 5.461 -3.803
216 HA2 GLY 31 HA2 GLY 31 1.475 4.731 -4.776
217 HA3 GLY 31 HA3 GLY 31 0.590 3.953 -3.476
218 H THR 32 H THR 32 1.606 2.006 -4.608
219 HA THR 32 HA THR 32 -0.389 0.661 -6.078
220 HB THR 32 HB THR 32 0.373 1.991 -7.979
221 HG1 THR 32 HG1 THR 32 1.073 -0.766 -8.054
222 HG21 THR 32 HG21 THR 32 2.652 1.638 -8.931
223 HG22 THR 32 HG22 THR 32 3.094 0.776 -7.457
224 HG23 THR 32 HG23 THR 32 2.664 2.485 -7.384
225 H CYS 33 H CYS 33 -0.099 -1.446 -6.290
226 HA CYS 33 HA CYS 33 2.269 -2.669 -5.055
227 HB2 CYS 33 HB2 CYS 33 0.000 -3.179 -4.062
228 HB3 CYS 33 HB3 CYS 33 -0.426 -3.967 -5.575
229 H ALA 34 H ALA 34 3.671 -3.597 -6.395
230 HA ALA 34 HA ALA 34 2.862 -4.663 -8.966
231 HB1 ALA 34 HB1 ALA 34 4.133 -3.270 -10.282
232 HB2 ALA 34 HB2 ALA 34 5.186 -2.809 -8.949
233 HB3 ALA 34 HB3 ALA 34 3.552 -2.153 -9.048
234 H ASN 35 H ASN 35 5.782 -3.897 -7.121
235 HA ASN 35 HA ASN 35 6.543 -6.654 -6.838
236 HB2 ASN 35 HB2 ASN 35 7.783 -4.992 -8.960
237 HB3 ASN 35 HB3 ASN 35 8.895 -5.913 -7.956
238 HD21 ASN 35 HD21 ASN 35 6.299 -6.081 -10.258
239 HD22 ASN 35 HD22 ASN 35 6.480 -7.755 -10.645
240 H ARG 36 H ARG 36 8.209 -6.970 -5.345
241 HA ARG 36 HA ARG 36 8.834 -4.615 -3.718
242 HB2 ARG 36 HB2 ARG 36 7.762 -6.900 -2.888
243 HB3 ARG 36 HB3 ARG 36 9.446 -7.392 -2.806
244 HG2 ARG 36 HG2 ARG 36 9.918 -5.507 -1.316
245 HG3 ARG 36 HG3 ARG 36 8.220 -5.034 -1.389
246 HD2 ARG 36 HD2 ARG 36 7.580 -7.183 -0.411
247 HD3 ARG 36 HD3 ARG 36 9.277 -7.659 -0.343
248 HE ARG 36 HE ARG 36 8.985 -5.239 1.030
249 HH11 ARG 36 HH11 ARG 36 8.016 -8.594 1.403
250 HH12 ARG 36 HH12 ARG 36 7.966 -8.507 3.132
251 HH21 ARG 36 HH21 ARG 36 8.475 -6.557 4.201
252 HH22 ARG 36 HH22 ARG 36 8.914 -5.148 3.294
Start of MODEL 11
1 H PCA 1 H3 PCA 1 2.546 -14.491 -3.657
2 HA PCA 1 HA PCA 1 0.433 -15.450 -4.315
3 HB2 PCA 1 HB2 PCA 1 0.112 -15.705 -1.464
4 HB3 PCA 1 HB3 PCA 1 0.829 -16.855 -2.616
5 HG2 PCA 1 HG2 PCA 1 2.158 -15.149 -0.773
6 HG3 PCA 1 HG3 PCA 1 2.859 -16.308 -1.918
7 H CYS 2 H CYS 2 0.158 -12.519 -2.549
8 HA CYS 2 HA CYS 2 -2.768 -12.629 -2.804
9 HB2 CYS 2 HB2 CYS 2 -3.074 -11.520 -0.684
10 HB3 CYS 2 HB3 CYS 2 -2.102 -12.963 -0.436
11 H LYS 3 H LYS 3 0.026 -11.044 -3.689
12 HA LYS 3 HA LYS 3 -0.925 -8.346 -3.716
13 HB2 LYS 3 HB2 LYS 3 1.123 -8.549 -5.651
14 HB3 LYS 3 HB3 LYS 3 1.240 -7.887 -4.039
15 HG2 LYS 3 HG2 LYS 3 2.966 -9.444 -4.142
16 HG3 LYS 3 HG3 LYS 3 1.689 -10.297 -3.276
17 HD2 LYS 3 HD2 LYS 3 1.176 -11.644 -5.113
18 HD3 LYS 3 HD3 LYS 3 1.968 -10.553 -6.253
19 HE2 LYS 3 HE2 LYS 3 4.140 -11.168 -5.383
20 HE3 LYS 3 HE3 LYS 3 3.390 -12.180 -4.150
21 HZ1 LYS 3 HZ1 LYS 3 4.182 -13.507 -5.995
22 HZ2 LYS 3 HZ2 LYS 3 3.244 -12.616 -7.085
23 HZ3 LYS 3 HZ3 LYS 3 2.493 -13.579 -5.915
24 HA PRO 4 HA PRO 4 -3.106 -8.784 -7.613
25 HB2 PRO 4 HB2 PRO 4 -3.741 -6.043 -7.813
26 HB3 PRO 4 HB3 PRO 4 -4.702 -7.286 -7.001
27 HG2 PRO 4 HG2 PRO 4 -3.448 -5.132 -5.755
28 HG3 PRO 4 HG3 PRO 4 -4.085 -6.578 -4.953
29 HD2 PRO 4 HD2 PRO 4 -1.273 -5.939 -5.740
30 HD3 PRO 4 HD3 PRO 4 -1.885 -6.789 -4.306
31 H ASN 5 H ASN 5 -0.408 -6.685 -7.264
32 HA ASN 5 HA ASN 5 0.989 -5.552 -8.630
33 HB2 ASN 5 HB2 ASN 5 1.051 -7.244 -10.946
34 HB3 ASN 5 HB3 ASN 5 2.267 -7.039 -9.697
35 HD21 ASN 5 HD21 ASN 5 2.310 -8.486 -7.955
36 HD22 ASN 5 HD22 ASN 5 1.540 -10.030 -8.041
37 H GLY 6 H GLY 6 0.263 -3.692 -9.278
38 HA2 GLY 6 HA2 GLY 6 -0.152 -2.278 -11.184
39 HA3 GLY 6 HA3 GLY 6 -1.178 -3.545 -11.845
40 H ALA 7 H ALA 7 -1.482 -2.952 -8.479
41 HA ALA 7 HA ALA 7 -4.126 -1.754 -8.901
42 HB1 ALA 7 HB1 ALA 7 -2.941 -3.039 -6.442
43 HB2 ALA 7 HB2 ALA 7 -4.041 -3.809 -7.585
44 HB3 ALA 7 HB3 ALA 7 -4.596 -2.455 -6.602
45 H LYS 8 H LYS 8 -4.810 -0.221 -7.027
46 HA LYS 8 HA LYS 8 -2.776 1.867 -6.850
47 HB2 LYS 8 HB2 LYS 8 -5.696 1.792 -6.988
48 HB3 LYS 8 HB3 LYS 8 -5.076 2.940 -5.808
49 HG2 LYS 8 HG2 LYS 8 -3.976 4.196 -7.415
50 HG3 LYS 8 HG3 LYS 8 -3.982 2.877 -8.588
51 HD2 LYS 8 HD2 LYS 8 -6.384 3.097 -8.864
52 HD3 LYS 8 HD3 LYS 8 -6.430 4.358 -7.631
53 HE2 LYS 8 HE2 LYS 8 -5.020 5.782 -9.032
54 HE3 LYS 8 HE3 LYS 8 -4.955 4.517 -10.259
55 HZ1 LYS 8 HZ1 LYS 8 -7.412 5.921 -9.353
56 HZ2 LYS 8 HZ2 LYS 8 -7.349 4.710 -10.531
57 HZ3 LYS 8 HZ3 LYS 8 -6.597 6.199 -10.810
58 H CYS 9 H CYS 9 -2.191 2.878 -4.998
59 HA CYS 9 HA CYS 9 -2.975 1.671 -2.422
60 HB2 CYS 9 HB2 CYS 9 -0.317 1.886 -3.675
61 HB3 CYS 9 HB3 CYS 9 -0.370 2.499 -2.029
62 H THR 10 H THR 10 -4.430 3.408 -2.198
63 HA THR 10 HA THR 10 -3.449 6.129 -2.191
64 HB THR 10 HB THR 10 -5.827 6.638 -1.385
65 HG1 THR 10 HG1 THR 10 -5.941 4.105 -0.999
66 HG21 THR 10 HG21 THR 10 -6.771 6.344 -3.635
67 HG22 THR 10 HG22 THR 10 -5.437 5.266 -4.048
68 HG23 THR 10 HG23 THR 10 -5.122 6.966 -3.698
69 H GLU 11 H GLU 11 -3.985 7.573 -0.336
70 HA GLU 11 HA GLU 11 -2.573 6.870 1.958
71 HB2 GLU 11 HB2 GLU 11 -2.943 9.171 1.140
72 HB3 GLU 11 HB3 GLU 11 -4.626 9.063 1.628
73 HG2 GLU 11 HG2 GLU 11 -4.017 8.928 3.931
74 HG3 GLU 11 HG3 GLU 11 -2.307 8.816 3.521
75 H ILE 12 H ILE 12 -5.865 6.240 1.221
76 HA ILE 12 HA ILE 12 -6.396 5.444 3.990
77 HB ILE 12 HB ILE 12 -8.594 5.932 2.024
78 HG12 ILE 12 HG12 ILE 12 -7.296 8.011 1.887
79 HG13 ILE 12 HG13 ILE 12 -8.813 8.289 2.723
80 HG21 ILE 12 HG21 ILE 12 -9.174 4.880 4.097
81 HG22 ILE 12 HG22 ILE 12 -9.867 6.501 4.036
82 HG23 ILE 12 HG23 ILE 12 -8.429 6.193 5.010
83 HD11 ILE 12 HD11 ILE 12 -7.662 8.384 4.852
84 HD12 ILE 12 HD12 ILE 12 -6.918 9.509 3.715
85 HD13 ILE 12 HD13 ILE 12 -6.134 7.972 4.074
86 H SER 13 H SER 13 -5.931 4.229 0.821
87 HA SER 13 HA SER 13 -7.092 1.682 1.665
88 HB2 SER 13 HB2 SER 13 -7.458 2.888 -1.083
89 HB3 SER 13 HB3 SER 13 -7.950 1.260 -0.619
90 HG SER 13 HG SER 13 -9.711 2.636 -0.441
91 H ILE 14 H ILE 14 -6.084 -0.144 1.086
92 HA ILE 14 HA ILE 14 -3.823 -0.092 -0.716
93 HB ILE 14 HB ILE 14 -2.258 -1.143 0.951
94 HG12 ILE 14 HG12 ILE 14 -2.864 -0.187 3.394
95 HG13 ILE 14 HG13 ILE 14 -4.495 -0.512 2.814
96 HG21 ILE 14 HG21 ILE 14 -1.593 0.992 2.004
97 HG22 ILE 14 HG22 ILE 14 -3.101 1.699 1.423
98 HG23 ILE 14 HG23 ILE 14 -1.899 1.114 0.271
99 HD11 ILE 14 HD11 ILE 14 -3.611 -2.399 4.060
100 HD12 ILE 14 HD12 ILE 14 -2.241 -2.503 2.954
101 HD13 ILE 14 HD13 ILE 14 -3.873 -2.832 2.371
102 HA PRO 15 HA PRO 15 -5.328 -4.279 -1.376
103 HB2 PRO 15 HB2 PRO 15 -3.291 -5.200 -2.928
104 HB3 PRO 15 HB3 PRO 15 -4.471 -4.021 -3.528
105 HG2 PRO 15 HG2 PRO 15 -1.721 -3.561 -2.474
106 HG3 PRO 15 HG3 PRO 15 -2.498 -2.892 -3.925
107 HD2 PRO 15 HD2 PRO 15 -2.304 -1.497 -1.640
108 HD3 PRO 15 HD3 PRO 15 -3.692 -1.334 -2.733
109 HA PRO 16 HA PRO 16 -3.115 -6.987 1.452
110 HB2 PRO 16 HB2 PRO 16 -2.677 -9.292 -0.270
111 HB3 PRO 16 HB3 PRO 16 -3.891 -9.080 1.002
112 HG2 PRO 16 HG2 PRO 16 -4.531 -9.243 -1.619
113 HG3 PRO 16 HG3 PRO 16 -5.479 -8.308 -0.445
114 HD2 PRO 16 HD2 PRO 16 -3.429 -7.350 -2.401
115 HD3 PRO 16 HD3 PRO 16 -5.020 -6.658 -2.010
116 H CYS 17 H CYS 17 -1.490 -7.833 -1.635
117 HA CYS 17 HA CYS 17 0.667 -8.179 -2.204
118 HB2 CYS 17 HB2 CYS 17 1.433 -5.851 -0.468
119 HB3 CYS 17 HB3 CYS 17 2.111 -6.337 -2.016
120 H CYS 18 H CYS 18 1.473 -10.010 -1.530
121 HA CYS 18 HA CYS 18 2.373 -10.307 1.230
122 HB2 CYS 18 HB2 CYS 18 1.901 -12.280 -0.995
123 HB3 CYS 18 HB3 CYS 18 2.703 -12.732 0.505
124 H SER 19 H SER 19 3.608 -9.901 -1.968
125 HA SER 19 HA SER 19 6.340 -10.047 -0.900
126 HB2 SER 19 HB2 SER 19 5.474 -11.328 -3.498
127 HB3 SER 19 HB3 SER 19 7.146 -11.166 -2.958
128 HG SER 19 HG SER 19 5.617 -13.158 -2.453
129 H ASN 20 H ASN 20 4.051 -8.555 -2.954
130 HA ASN 20 HA ASN 20 5.953 -7.001 -4.468
131 HB2 ASN 20 HB2 ASN 20 2.953 -7.018 -4.269
132 HB3 ASN 20 HB3 ASN 20 3.797 -5.779 -5.177
133 HD21 ASN 20 HD21 ASN 20 4.864 -9.128 -4.974
134 HD22 ASN 20 HD22 ASN 20 4.551 -9.518 -6.628
135 H PHE 21 H PHE 21 4.928 -4.448 -4.491
136 HA PHE 21 HA PHE 21 5.365 -3.548 -1.721
137 HB2 PHE 21 HB2 PHE 21 6.517 -1.572 -2.648
138 HB3 PHE 21 HB3 PHE 21 7.325 -3.070 -3.069
139 HD1 PHE 21 HD1 PHE 21 7.953 -3.440 -5.244
140 HD2 PHE 21 HD2 PHE 21 4.908 -0.565 -4.482
141 HE1 PHE 21 HE1 PHE 21 8.041 -2.738 -7.595
142 HE2 PHE 21 HE2 PHE 21 4.990 0.134 -6.840
143 HZ PHE 21 HZ PHE 21 6.557 -0.947 -8.397
144 H CYS 22 H CYS 22 4.423 -1.571 -1.081
145 HA CYS 22 HA CYS 22 2.113 -0.725 -2.697
146 HB2 CYS 22 HB2 CYS 22 1.317 -1.867 -0.696
147 HB3 CYS 22 HB3 CYS 22 2.348 -0.866 0.321
148 H LEU 23 H LEU 23 2.420 1.228 -3.486
149 HA LEU 23 HA LEU 23 4.469 2.943 -2.391
150 HB2 LEU 23 HB2 LEU 23 2.800 2.972 -4.866
151 HB3 LEU 23 HB3 LEU 23 3.737 4.378 -4.416
152 HG LEU 23 HG LEU 23 4.773 1.621 -5.077
153 HD11 LEU 23 HD11 LEU 23 4.246 3.952 -6.620
154 HD12 LEU 23 HD12 LEU 23 4.910 2.403 -7.141
155 HD13 LEU 23 HD13 LEU 23 5.987 3.681 -6.580
156 HD21 LEU 23 HD21 LEU 23 6.337 2.224 -3.495
157 HD22 LEU 23 HD22 LEU 23 6.136 3.949 -3.790
158 HD23 LEU 23 HD23 LEU 23 7.037 2.959 -4.937
159 H ARG 24 H ARG 24 2.338 2.600 -0.699
160 HA ARG 24 HA ARG 24 0.666 4.967 -0.681
161 HB2 ARG 24 HB2 ARG 24 0.094 2.587 0.192
162 HB3 ARG 24 HB3 ARG 24 1.024 3.032 1.606
163 HG2 ARG 24 HG2 ARG 24 -1.272 4.741 0.697
164 HG3 ARG 24 HG3 ARG 24 -1.556 3.280 1.636
165 HD2 ARG 24 HD2 ARG 24 0.256 4.314 3.232
166 HD3 ARG 24 HD3 ARG 24 -0.208 5.821 2.446
167 HE ARG 24 HE ARG 24 -2.577 5.047 3.151
168 HH11 ARG 24 HH11 ARG 24 0.347 4.595 5.043
169 HH12 ARG 24 HH12 ARG 24 -0.492 4.614 6.559
170 HH21 ARG 24 HH21 ARG 24 -3.656 5.061 5.153
171 HH22 ARG 24 HH22 ARG 24 -2.752 4.877 6.619
172 H TYR 25 H TYR 25 3.722 3.967 0.514
173 HA TYR 25 HA TYR 25 5.342 4.832 1.820
174 HB2 TYR 25 HB2 TYR 25 4.098 7.344 0.733
175 HB3 TYR 25 HB3 TYR 25 5.506 7.399 1.788
176 HD1 TYR 25 HD1 TYR 25 4.269 6.572 -1.539
177 HD2 TYR 25 HD2 TYR 25 7.660 6.507 1.029
178 HE1 TYR 25 HE1 TYR 25 5.729 6.207 -3.485
179 HE2 TYR 25 HE2 TYR 25 9.129 6.138 -0.908
180 HH TYR 25 HH TYR 25 8.978 5.259 -3.194
181 H ALA 26 H ALA 26 3.543 7.649 2.724
182 HA ALA 26 HA ALA 26 2.793 6.537 5.317
183 HB1 ALA 26 HB1 ALA 26 4.490 9.008 5.046
184 HB2 ALA 26 HB2 ALA 26 5.044 7.440 5.634
185 HB3 ALA 26 HB3 ALA 26 3.842 8.351 6.549
186 H GLY 27 H GLY 27 2.653 9.154 3.016
187 HA2 GLY 27 HA2 GLY 27 -0.104 9.718 3.806
188 HA3 GLY 27 HA3 GLY 27 1.035 11.053 3.877
189 H GLN 28 H GLN 28 0.985 8.479 1.458
190 HA GLN 28 HA GLN 28 0.558 10.508 -0.620
191 HB2 GLN 28 HB2 GLN 28 1.856 7.794 -0.642
192 HB3 GLN 28 HB3 GLN 28 1.344 8.565 -2.136
193 HG2 GLN 28 HG2 GLN 28 3.129 9.999 -0.207
194 HG3 GLN 28 HG3 GLN 28 3.785 8.839 -1.361
195 HE21 GLN 28 HE21 GLN 28 2.238 11.924 -0.955
196 HE22 GLN 28 HE22 GLN 28 2.537 12.514 -2.551
197 H LYS 29 H LYS 29 -0.992 10.270 -2.203
198 HA LYS 29 HA LYS 29 -3.087 8.292 -1.628
199 HB2 LYS 29 HB2 LYS 29 -3.366 10.944 -1.457
200 HB3 LYS 29 HB3 LYS 29 -3.703 10.758 -3.173
201 HG2 LYS 29 HG2 LYS 29 -5.471 9.148 -2.638
202 HG3 LYS 29 HG3 LYS 29 -5.148 9.388 -0.920
203 HD2 LYS 29 HD2 LYS 29 -5.722 11.759 -1.147
204 HD3 LYS 29 HD3 LYS 29 -6.043 11.516 -2.864
205 HE2 LYS 29 HE2 LYS 29 -8.151 11.478 -1.809
206 HE3 LYS 29 HE3 LYS 29 -7.763 9.796 -2.160
207 HZ1 LYS 29 HZ1 LYS 29 -8.660 10.048 0.066
208 HZ2 LYS 29 HZ2 LYS 29 -7.430 11.135 0.472
209 HZ3 LYS 29 HZ3 LYS 29 -7.054 9.520 0.138
210 H SER 30 H SER 30 -0.662 8.158 -3.532
211 HA SER 30 HA SER 30 -2.153 7.123 -5.804
212 HB2 SER 30 HB2 SER 30 -0.661 8.301 -7.448
213 HB3 SER 30 HB3 SER 30 -1.733 9.384 -6.560
214 HG SER 30 HG SER 30 0.506 9.151 -5.166
215 H GLY 31 H GLY 31 -1.229 5.349 -4.286
216 HA2 GLY 31 HA2 GLY 31 1.526 4.676 -5.023
217 HA3 GLY 31 HA3 GLY 31 0.594 3.918 -3.740
218 H THR 32 H THR 32 1.861 2.129 -5.292
219 HA THR 32 HA THR 32 -0.328 0.849 -6.661
220 HB THR 32 HB THR 32 0.444 2.172 -8.527
221 HG1 THR 32 HG1 THR 32 1.052 -0.584 -8.587
222 HG21 THR 32 HG21 THR 32 2.720 2.696 -7.866
223 HG22 THR 32 HG22 THR 32 2.728 1.941 -9.459
224 HG23 THR 32 HG23 THR 32 3.192 1.005 -8.039
225 H CYS 33 H CYS 33 -0.318 -1.141 -5.995
226 HA CYS 33 HA CYS 33 2.006 -2.427 -4.932
227 HB2 CYS 33 HB2 CYS 33 -0.276 -2.892 -4.060
228 HB3 CYS 33 HB3 CYS 33 -0.668 -3.700 -5.572
229 H ALA 34 H ALA 34 3.531 -3.240 -6.060
230 HA ALA 34 HA ALA 34 3.103 -4.840 -8.438
231 HB1 ALA 34 HB1 ALA 34 4.786 -3.523 -9.727
232 HB2 ALA 34 HB2 ALA 34 4.719 -2.296 -8.461
233 HB3 ALA 34 HB3 ALA 34 3.283 -2.653 -9.419
234 H ASN 35 H ASN 35 5.293 -5.766 -9.193
235 HA ASN 35 HA ASN 35 6.614 -6.860 -6.884
236 HB2 ASN 35 HB2 ASN 35 6.855 -7.310 -9.847
237 HB3 ASN 35 HB3 ASN 35 8.035 -7.998 -8.737
238 HD21 ASN 35 HD21 ASN 35 4.772 -8.106 -9.882
239 HD22 ASN 35 HD22 ASN 35 4.322 -9.572 -9.088
240 H ARG 36 H ARG 36 8.800 -6.802 -6.384
241 HA ARG 36 HA ARG 36 10.090 -4.269 -7.010
242 HB2 ARG 36 HB2 ARG 36 11.669 -4.925 -5.157
243 HB3 ARG 36 HB3 ARG 36 9.994 -4.728 -4.676
244 HG2 ARG 36 HG2 ARG 36 9.719 -7.177 -4.698
245 HG3 ARG 36 HG3 ARG 36 11.422 -7.347 -5.126
246 HD2 ARG 36 HD2 ARG 36 12.058 -6.231 -3.046
247 HD3 ARG 36 HD3 ARG 36 10.356 -6.046 -2.621
248 HE ARG 36 HE ARG 36 10.946 -8.767 -3.099
249 HH11 ARG 36 HH11 ARG 36 11.480 -6.277 -0.680
250 HH12 ARG 36 HH12 ARG 36 11.609 -7.411 0.624
251 HH21 ARG 36 HH21 ARG 36 11.405 -9.647 0.227
252 HH22 ARG 36 HH22 ARG 36 11.119 -10.230 -1.378
Start of MODEL 12
1 H PCA 1 H3 PCA 1 1.804 -13.572 -3.698
2 HA PCA 1 HA PCA 1 0.218 -15.763 -4.939
3 HB2 PCA 1 HB2 PCA 1 0.388 -15.867 -2.109
4 HB3 PCA 1 HB3 PCA 1 1.110 -16.987 -3.286
5 HG2 PCA 1 HG2 PCA 1 2.422 -15.060 -1.680
6 HG3 PCA 1 HG3 PCA 1 3.123 -16.150 -2.889
7 H CYS 2 H CYS 2 0.264 -12.727 -3.325
8 HA CYS 2 HA CYS 2 -2.665 -12.775 -3.070
9 HB2 CYS 2 HB2 CYS 2 -1.064 -11.293 -1.020
10 HB3 CYS 2 HB3 CYS 2 -2.685 -11.969 -0.896
11 H LYS 3 H LYS 3 0.156 -11.178 -4.077
12 HA LYS 3 HA LYS 3 -0.769 -8.487 -4.042
13 HB2 LYS 3 HB2 LYS 3 1.214 -7.955 -5.340
14 HB3 LYS 3 HB3 LYS 3 1.641 -9.054 -4.039
15 HG2 LYS 3 HG2 LYS 3 0.994 -10.254 -6.667
16 HG3 LYS 3 HG3 LYS 3 2.513 -9.371 -6.522
17 HD2 LYS 3 HD2 LYS 3 3.145 -10.785 -4.618
18 HD3 LYS 3 HD3 LYS 3 1.627 -11.669 -4.773
19 HE2 LYS 3 HE2 LYS 3 3.254 -12.997 -5.846
20 HE3 LYS 3 HE3 LYS 3 2.340 -12.220 -7.137
21 HZ1 LYS 3 HZ1 LYS 3 4.714 -12.157 -7.572
22 HZ2 LYS 3 HZ2 LYS 3 4.988 -11.338 -6.119
23 HZ3 LYS 3 HZ3 LYS 3 4.114 -10.589 -7.356
24 HA PRO 4 HA PRO 4 -2.937 -8.704 -7.992
25 HB2 PRO 4 HB2 PRO 4 -3.625 -5.983 -8.017
26 HB3 PRO 4 HB3 PRO 4 -4.547 -7.277 -7.237
27 HG2 PRO 4 HG2 PRO 4 -3.258 -5.152 -5.941
28 HG3 PRO 4 HG3 PRO 4 -3.930 -6.604 -5.182
29 HD2 PRO 4 HD2 PRO 4 -1.103 -5.996 -5.924
30 HD3 PRO 4 HD3 PRO 4 -1.745 -6.917 -4.546
31 H ASN 5 H ASN 5 -0.287 -6.576 -7.428
32 HA ASN 5 HA ASN 5 1.134 -5.325 -8.656
33 HB2 ASN 5 HB2 ASN 5 1.164 -6.864 -11.114
34 HB3 ASN 5 HB3 ASN 5 2.444 -6.586 -9.947
35 HD21 ASN 5 HD21 ASN 5 3.026 -8.179 -8.616
36 HD22 ASN 5 HD22 ASN 5 2.277 -9.734 -8.550
37 H GLY 6 H GLY 6 0.621 -3.415 -9.310
38 HA2 GLY 6 HA2 GLY 6 0.163 -1.869 -11.061
39 HA3 GLY 6 HA3 GLY 6 -0.862 -3.077 -11.821
40 H ALA 7 H ALA 7 -1.299 -2.852 -8.454
41 HA ALA 7 HA ALA 7 -3.884 -1.529 -8.838
42 HB1 ALA 7 HB1 ALA 7 -2.842 -2.981 -6.413
43 HB2 ALA 7 HB2 ALA 7 -3.814 -3.714 -7.689
44 HB3 ALA 7 HB3 ALA 7 -4.496 -2.435 -6.686
45 H LYS 8 H LYS 8 -4.554 0.244 -7.594
46 HA LYS 8 HA LYS 8 -2.387 1.978 -6.751
47 HB2 LYS 8 HB2 LYS 8 -5.091 2.311 -7.739
48 HB3 LYS 8 HB3 LYS 8 -4.775 3.334 -6.343
49 HG2 LYS 8 HG2 LYS 8 -3.052 4.477 -7.418
50 HG3 LYS 8 HG3 LYS 8 -2.877 3.230 -8.657
51 HD2 LYS 8 HD2 LYS 8 -5.030 3.824 -9.600
52 HD3 LYS 8 HD3 LYS 8 -5.285 5.014 -8.322
53 HE2 LYS 8 HE2 LYS 8 -3.340 6.274 -9.109
54 HE3 LYS 8 HE3 LYS 8 -3.082 5.082 -10.382
55 HZ1 LYS 8 HZ1 LYS 8 -4.244 7.026 -11.216
56 HZ2 LYS 8 HZ2 LYS 8 -5.485 6.805 -10.088
57 HZ3 LYS 8 HZ3 LYS 8 -5.238 5.660 -11.309
58 H CYS 9 H CYS 9 -2.059 2.832 -4.795
59 HA CYS 9 HA CYS 9 -3.552 1.698 -2.509
60 HB2 CYS 9 HB2 CYS 9 -0.683 2.559 -2.841
61 HB3 CYS 9 HB3 CYS 9 -1.410 2.415 -1.251
62 H THR 10 H THR 10 -4.145 3.083 -0.830
63 HA THR 10 HA THR 10 -3.708 5.951 -1.168
64 HB THR 10 HB THR 10 -6.497 5.298 -0.450
65 HG1 THR 10 HG1 THR 10 -5.365 4.409 -2.819
66 HG21 THR 10 HG21 THR 10 -5.241 7.249 -2.385
67 HG22 THR 10 HG22 THR 10 -5.690 7.593 -0.715
68 HG23 THR 10 HG23 THR 10 -6.937 7.224 -1.906
69 H GLU 11 H GLU 11 -4.502 7.189 0.753
70 HA GLU 11 HA GLU 11 -3.324 6.412 3.109
71 HB2 GLU 11 HB2 GLU 11 -5.725 8.229 2.906
72 HB3 GLU 11 HB3 GLU 11 -4.550 8.196 4.213
73 HG2 GLU 11 HG2 GLU 11 -2.814 8.826 2.517
74 HG3 GLU 11 HG3 GLU 11 -4.135 9.086 1.380
75 H ILE 12 H ILE 12 -6.539 5.692 2.041
76 HA ILE 12 HA ILE 12 -7.037 4.183 4.510
77 HB ILE 12 HB ILE 12 -9.442 4.711 2.977
78 HG12 ILE 12 HG12 ILE 12 -8.219 6.851 2.437
79 HG13 ILE 12 HG13 ILE 12 -9.722 7.074 3.311
80 HG21 ILE 12 HG21 ILE 12 -9.431 3.834 5.208
81 HG22 ILE 12 HG22 ILE 12 -10.281 5.379 5.171
82 HG23 ILE 12 HG23 ILE 12 -8.640 5.290 5.811
83 HD11 ILE 12 HD11 ILE 12 -6.979 7.180 4.565
84 HD12 ILE 12 HD12 ILE 12 -8.514 7.554 5.348
85 HD13 ILE 12 HD13 ILE 12 -7.914 8.585 4.050
86 H SER 13 H SER 13 -6.104 3.625 1.419
87 HA SER 13 HA SER 13 -7.516 1.061 1.354
88 HB2 SER 13 HB2 SER 13 -7.128 2.862 -1.041
89 HB3 SER 13 HB3 SER 13 -7.775 1.222 -1.100
90 HG SER 13 HG SER 13 -8.935 3.234 0.510
91 H ILE 14 H ILE 14 -6.341 -0.667 0.949
92 HA ILE 14 HA ILE 14 -3.834 -0.524 -0.488
93 HB ILE 14 HB ILE 14 -2.510 -1.710 1.253
94 HG12 ILE 14 HG12 ILE 14 -3.492 -1.076 3.692
95 HG13 ILE 14 HG13 ILE 14 -4.999 -1.396 2.837
96 HG21 ILE 14 HG21 ILE 14 -3.460 1.023 2.057
97 HG22 ILE 14 HG22 ILE 14 -2.174 0.648 0.907
98 HG23 ILE 14 HG23 ILE 14 -1.978 0.244 2.613
99 HD11 ILE 14 HD11 ILE 14 -2.665 -3.283 3.075
100 HD12 ILE 14 HD12 ILE 14 -4.167 -3.607 2.211
101 HD13 ILE 14 HD13 ILE 14 -4.188 -3.389 3.960
102 HA PRO 15 HA PRO 15 -5.363 -4.613 -1.574
103 HB2 PRO 15 HB2 PRO 15 -3.302 -5.445 -3.121
104 HB3 PRO 15 HB3 PRO 15 -4.410 -4.168 -3.656
105 HG2 PRO 15 HG2 PRO 15 -1.679 -3.934 -2.492
106 HG3 PRO 15 HG3 PRO 15 -2.401 -3.075 -3.870
107 HD2 PRO 15 HD2 PRO 15 -2.205 -1.988 -1.380
108 HD3 PRO 15 HD3 PRO 15 -3.479 -1.558 -2.537
109 HA PRO 16 HA PRO 16 -3.312 -7.548 1.141
110 HB2 PRO 16 HB2 PRO 16 -2.761 -9.698 -0.748
111 HB3 PRO 16 HB3 PRO 16 -4.032 -9.607 0.484
112 HG2 PRO 16 HG2 PRO 16 -4.571 -9.552 -2.157
113 HG3 PRO 16 HG3 PRO 16 -5.558 -8.696 -0.954
114 HD2 PRO 16 HD2 PRO 16 -3.410 -7.620 -2.738
115 HD3 PRO 16 HD3 PRO 16 -5.019 -6.947 -2.384
116 H CYS 17 H CYS 17 -1.516 -7.996 -1.924
117 HA CYS 17 HA CYS 17 0.674 -8.388 -2.383
118 HB2 CYS 17 HB2 CYS 17 1.326 -6.143 -0.500
119 HB3 CYS 17 HB3 CYS 17 2.083 -6.546 -2.035
120 H CYS 18 H CYS 18 1.280 -10.339 -1.657
121 HA CYS 18 HA CYS 18 2.123 -10.683 1.108
122 HB2 CYS 18 HB2 CYS 18 1.496 -12.530 -1.147
123 HB3 CYS 18 HB3 CYS 18 2.555 -13.104 0.136
124 H SER 19 H SER 19 3.529 -10.099 -1.962
125 HA SER 19 HA SER 19 6.208 -10.362 -0.792
126 HB2 SER 19 HB2 SER 19 5.488 -11.378 -3.553
127 HB3 SER 19 HB3 SER 19 7.103 -11.365 -2.845
128 HG SER 19 HG SER 19 6.019 -13.406 -2.659
129 H ASN 20 H ASN 20 3.983 -8.691 -2.743
130 HA ASN 20 HA ASN 20 5.962 -7.022 -4.053
131 HB2 ASN 20 HB2 ASN 20 2.962 -7.204 -4.166
132 HB3 ASN 20 HB3 ASN 20 3.826 -5.875 -4.924
133 HD21 ASN 20 HD21 ASN 20 5.077 -9.156 -4.756
134 HD22 ASN 20 HD22 ASN 20 4.956 -9.485 -6.448
135 H PHE 21 H PHE 21 4.934 -4.543 -4.091
136 HA PHE 21 HA PHE 21 4.942 -3.717 -1.264
137 HB2 PHE 21 HB2 PHE 21 6.185 -1.707 -1.962
138 HB3 PHE 21 HB3 PHE 21 7.066 -3.180 -2.330
139 HD1 PHE 21 HD1 PHE 21 5.013 -0.474 -3.847
140 HD2 PHE 21 HD2 PHE 21 7.751 -3.659 -4.512
141 HE1 PHE 21 HE1 PHE 21 5.369 0.310 -6.153
142 HE2 PHE 21 HE2 PHE 21 8.109 -2.881 -6.817
143 HZ PHE 21 HZ PHE 21 6.919 -0.890 -7.639
144 H CYS 22 H CYS 22 3.804 -1.857 -0.690
145 HA CYS 22 HA CYS 22 1.793 -0.935 -2.635
146 HB2 CYS 22 HB2 CYS 22 0.598 -2.175 -0.971
147 HB3 CYS 22 HB3 CYS 22 1.528 -1.453 0.335
148 H LEU 23 H LEU 23 2.289 1.049 -3.255
149 HA LEU 23 HA LEU 23 4.095 2.686 -1.750
150 HB2 LEU 23 HB2 LEU 23 2.730 2.944 -4.393
151 HB3 LEU 23 HB3 LEU 23 3.532 4.330 -3.691
152 HG LEU 23 HG LEU 23 4.821 1.691 -4.409
153 HD11 LEU 23 HD11 LEU 23 5.009 2.571 -6.434
154 HD12 LEU 23 HD12 LEU 23 6.009 3.850 -5.747
155 HD13 LEU 23 HD13 LEU 23 4.267 4.077 -5.896
156 HD21 LEU 23 HD21 LEU 23 5.858 4.101 -2.959
157 HD22 LEU 23 HD22 LEU 23 6.939 3.191 -4.013
158 HD23 LEU 23 HD23 LEU 23 6.160 2.390 -2.649
159 H ARG 24 H ARG 24 2.148 2.345 -0.107
160 HA ARG 24 HA ARG 24 0.322 4.623 -0.115
161 HB2 ARG 24 HB2 ARG 24 -0.111 2.118 0.672
162 HB3 ARG 24 HB3 ARG 24 0.567 2.704 2.179
163 HG2 ARG 24 HG2 ARG 24 -1.720 4.148 0.878
164 HG3 ARG 24 HG3 ARG 24 -2.001 2.704 1.844
165 HD2 ARG 24 HD2 ARG 24 -2.268 4.372 3.410
166 HD3 ARG 24 HD3 ARG 24 -0.576 3.944 3.639
167 HE ARG 24 HE ARG 24 -0.513 5.968 1.814
168 HH11 ARG 24 HH11 ARG 24 -1.860 5.658 5.043
169 HH12 ARG 24 HH12 ARG 24 -1.668 7.339 5.410
170 HH21 ARG 24 HH21 ARG 24 -0.286 8.172 2.313
171 HH22 ARG 24 HH22 ARG 24 -0.779 8.759 3.866
172 H TYR 25 H TYR 25 2.680 5.663 -0.178
173 HA TYR 25 HA TYR 25 4.145 5.938 2.223
174 HB2 TYR 25 HB2 TYR 25 4.663 6.504 -0.352
175 HB3 TYR 25 HB3 TYR 25 4.265 8.120 0.220
176 HD1 TYR 25 HD1 TYR 25 5.730 9.296 1.732
177 HD2 TYR 25 HD2 TYR 25 6.610 5.306 0.547
178 HE1 TYR 25 HE1 TYR 25 8.002 9.535 2.637
179 HE2 TYR 25 HE2 TYR 25 8.885 5.534 1.450
180 HH TYR 25 HH TYR 25 10.486 7.321 1.977
181 H ALA 26 H ALA 26 4.450 7.914 3.480
182 HA ALA 26 HA ALA 26 1.998 9.015 4.408
183 HB1 ALA 26 HB1 ALA 26 4.810 9.865 5.056
184 HB2 ALA 26 HB2 ALA 26 3.905 8.592 5.875
185 HB3 ALA 26 HB3 ALA 26 3.356 10.265 5.972
186 H GLY 27 H GLY 27 4.181 9.992 1.960
187 HA2 GLY 27 HA2 GLY 27 3.019 12.706 1.893
188 HA3 GLY 27 HA3 GLY 27 4.587 12.279 1.223
189 H GLN 28 H GLN 28 2.130 9.971 0.685
190 HA GLN 28 HA GLN 28 1.542 11.045 -1.990
191 HB2 GLN 28 HB2 GLN 28 2.436 8.253 -1.279
192 HB3 GLN 28 HB3 GLN 28 1.602 8.618 -2.783
193 HG2 GLN 28 HG2 GLN 28 3.396 10.188 -3.378
194 HG3 GLN 28 HG3 GLN 28 4.238 9.768 -1.888
195 HE21 GLN 28 HE21 GLN 28 5.203 7.747 -1.696
196 HE22 GLN 28 HE22 GLN 28 5.511 6.741 -3.067
197 H LYS 29 H LYS 29 -0.430 10.351 -2.918
198 HA LYS 29 HA LYS 29 -2.359 9.195 -1.013
199 HB2 LYS 29 HB2 LYS 29 -2.681 11.541 -2.879
200 HB3 LYS 29 HB3 LYS 29 -4.068 10.669 -2.242
201 HG2 LYS 29 HG2 LYS 29 -3.345 11.199 0.039
202 HG3 LYS 29 HG3 LYS 29 -1.970 12.093 -0.614
203 HD2 LYS 29 HD2 LYS 29 -3.502 13.625 -1.748
204 HD3 LYS 29 HD3 LYS 29 -4.879 12.725 -1.112
205 HE2 LYS 29 HE2 LYS 29 -4.173 13.269 1.170
206 HE3 LYS 29 HE3 LYS 29 -2.803 14.174 0.528
207 HZ1 LYS 29 HZ1 LYS 29 -4.631 15.636 1.111
208 HZ2 LYS 29 HZ2 LYS 29 -5.667 14.809 0.060
209 HZ3 LYS 29 HZ3 LYS 29 -4.353 15.678 -0.558
210 H SER 30 H SER 30 -0.696 8.315 -3.554
211 HA SER 30 HA SER 30 -2.674 6.489 -4.544
212 HB2 SER 30 HB2 SER 30 -1.546 8.572 -6.444
213 HB3 SER 30 HB3 SER 30 -2.431 7.131 -6.947
214 HG SER 30 HG SER 30 -3.531 9.348 -6.511
215 H GLY 31 H GLY 31 -1.300 4.897 -3.847
216 HA2 GLY 31 HA2 GLY 31 1.411 4.799 -4.950
217 HA3 GLY 31 HA3 GLY 31 0.784 3.785 -3.663
218 H THR 32 H THR 32 1.875 2.047 -5.018
219 HA THR 32 HA THR 32 -0.130 0.821 -6.677
220 HB THR 32 HB THR 32 0.818 2.157 -8.421
221 HG1 THR 32 HG1 THR 32 1.344 -0.569 -8.394
222 HG21 THR 32 HG21 THR 32 2.947 2.802 -7.465
223 HG22 THR 32 HG22 THR 32 3.226 2.050 -9.036
224 HG23 THR 32 HG23 THR 32 3.532 1.141 -7.557
225 H CYS 33 H CYS 33 -0.201 -1.167 -5.913
226 HA CYS 33 HA CYS 33 2.056 -2.485 -4.767
227 HB2 CYS 33 HB2 CYS 33 -0.252 -3.018 -4.028
228 HB3 CYS 33 HB3 CYS 33 -0.573 -3.753 -5.595
229 H ALA 34 H ALA 34 3.643 -3.223 -5.825
230 HA ALA 34 HA ALA 34 3.388 -4.657 -8.342
231 HB1 ALA 34 HB1 ALA 34 3.768 -2.410 -9.084
232 HB2 ALA 34 HB2 ALA 34 5.280 -3.301 -9.277
233 HB3 ALA 34 HB3 ALA 34 5.074 -2.194 -7.920
234 H ASN 35 H ASN 35 5.527 -5.711 -8.894
235 HA ASN 35 HA ASN 35 6.731 -6.690 -6.412
236 HB2 ASN 35 HB2 ASN 35 7.632 -8.547 -7.946
237 HB3 ASN 35 HB3 ASN 35 5.911 -8.538 -7.598
238 HD21 ASN 35 HD21 ASN 35 4.542 -8.612 -9.251
239 HD22 ASN 35 HD22 ASN 35 4.961 -8.387 -10.913
240 H ARG 36 H ARG 36 8.834 -6.602 -5.939
241 HA ARG 36 HA ARG 36 10.499 -4.845 -7.566
242 HB2 ARG 36 HB2 ARG 36 10.466 -5.725 -4.747
243 HB3 ARG 36 HB3 ARG 36 12.062 -5.475 -5.438
244 HG2 ARG 36 HG2 ARG 36 11.472 -3.197 -6.034
245 HG3 ARG 36 HG3 ARG 36 9.843 -3.442 -5.405
246 HD2 ARG 36 HD2 ARG 36 10.765 -3.844 -3.174
247 HD3 ARG 36 HD3 ARG 36 12.394 -3.598 -3.805
248 HE ARG 36 HE ARG 36 10.876 -1.335 -4.418
249 HH11 ARG 36 HH11 ARG 36 12.157 -2.919 -1.556
250 HH12 ARG 36 HH12 ARG 36 12.270 -1.446 -0.652
251 HH21 ARG 36 HH21 ARG 36 11.634 0.532 -1.591
252 HH22 ARG 36 HH22 ARG 36 11.033 0.580 -3.214
Start of MODEL 13
1 H PCA 1 H3 PCA 1 1.710 -13.526 -3.601
2 HA PCA 1 HA PCA 1 0.112 -15.551 -5.084
3 HB2 PCA 1 HB2 PCA 1 0.185 -15.904 -2.266
4 HB3 PCA 1 HB3 PCA 1 0.905 -16.944 -3.516
5 HG2 PCA 1 HG2 PCA 1 2.238 -15.234 -1.709
6 HG3 PCA 1 HG3 PCA 1 2.934 -16.204 -3.020
7 H CYS 2 H CYS 2 0.174 -12.655 -3.244
8 HA CYS 2 HA CYS 2 -2.761 -12.696 -3.005
9 HB2 CYS 2 HB2 CYS 2 -1.120 -11.244 -0.964
10 HB3 CYS 2 HB3 CYS 2 -2.747 -11.899 -0.825
11 H LYS 3 H LYS 3 0.051 -11.075 -4.009
12 HA LYS 3 HA LYS 3 -1.011 -8.408 -4.024
13 HB2 LYS 3 HB2 LYS 3 1.130 -8.303 -5.744
14 HB3 LYS 3 HB3 LYS 3 1.208 -8.010 -4.023
15 HG2 LYS 3 HG2 LYS 3 2.960 -9.494 -4.500
16 HG3 LYS 3 HG3 LYS 3 1.706 -10.483 -3.754
17 HD2 LYS 3 HD2 LYS 3 1.074 -11.421 -5.829
18 HD3 LYS 3 HD3 LYS 3 1.975 -10.209 -6.739
19 HE2 LYS 3 HE2 LYS 3 4.071 -11.132 -5.952
20 HE3 LYS 3 HE3 LYS 3 3.210 -12.289 -4.938
21 HZ1 LYS 3 HZ1 LYS 3 3.976 -13.306 -6.989
22 HZ2 LYS 3 HZ2 LYS 3 3.109 -12.178 -7.905
23 HZ3 LYS 3 HZ3 LYS 3 2.285 -13.291 -6.934
24 HA PRO 4 HA PRO 4 -2.805 -8.750 -8.116
25 HB2 PRO 4 HB2 PRO 4 -3.424 -5.991 -8.250
26 HB3 PRO 4 HB3 PRO 4 -4.453 -7.269 -7.584
27 HG2 PRO 4 HG2 PRO 4 -3.346 -5.189 -6.119
28 HG3 PRO 4 HG3 PRO 4 -3.979 -6.701 -5.449
29 HD2 PRO 4 HD2 PRO 4 -1.143 -5.956 -6.070
30 HD3 PRO 4 HD3 PRO 4 -1.802 -6.832 -4.671
31 H ASN 5 H ASN 5 -0.114 -6.721 -7.465
32 HA ASN 5 HA ASN 5 1.351 -5.477 -8.668
33 HB2 ASN 5 HB2 ASN 5 1.802 -6.989 -10.996
34 HB3 ASN 5 HB3 ASN 5 2.728 -7.019 -9.505
35 HD21 ASN 5 HD21 ASN 5 2.416 -8.690 -8.046
36 HD22 ASN 5 HD22 ASN 5 1.604 -10.152 -8.480
37 H GLY 6 H GLY 6 0.394 -3.654 -9.199
38 HA2 GLY 6 HA2 GLY 6 0.212 -2.211 -11.193
39 HA3 GLY 6 HA3 GLY 6 -0.817 -3.457 -11.886
40 H ALA 7 H ALA 7 -1.267 -2.973 -8.536
41 HA ALA 7 HA ALA 7 -3.849 -1.679 -9.036
42 HB1 ALA 7 HB1 ALA 7 -2.791 -3.055 -6.569
43 HB2 ALA 7 HB2 ALA 7 -3.882 -3.753 -7.769
44 HB3 ALA 7 HB3 ALA 7 -4.420 -2.409 -6.764
45 H LYS 8 H LYS 8 -4.552 -0.207 -7.046
46 HA LYS 8 HA LYS 8 -2.375 1.725 -6.617
47 HB2 LYS 8 HB2 LYS 8 -5.151 2.008 -7.464
48 HB3 LYS 8 HB3 LYS 8 -4.714 3.099 -6.156
49 HG2 LYS 8 HG2 LYS 8 -3.245 4.275 -7.438
50 HG3 LYS 8 HG3 LYS 8 -2.863 2.891 -8.465
51 HD2 LYS 8 HD2 LYS 8 -4.978 3.077 -9.594
52 HD3 LYS 8 HD3 LYS 8 -5.495 4.356 -8.494
53 HE2 LYS 8 HE2 LYS 8 -3.697 5.795 -9.329
54 HE3 LYS 8 HE3 LYS 8 -3.180 4.514 -10.423
55 HZ1 LYS 8 HZ1 LYS 8 -5.817 5.878 -10.482
56 HZ2 LYS 8 HZ2 LYS 8 -5.324 4.648 -11.532
57 HZ3 LYS 8 HZ3 LYS 8 -4.542 6.148 -11.561
58 H CYS 9 H CYS 9 -2.114 2.744 -4.706
59 HA CYS 9 HA CYS 9 -3.489 1.620 -2.332
60 HB2 CYS 9 HB2 CYS 9 -0.643 2.571 -2.731
61 HB3 CYS 9 HB3 CYS 9 -1.340 2.304 -1.142
62 H THR 10 H THR 10 -3.957 3.078 -0.637
63 HA THR 10 HA THR 10 -3.514 5.922 -1.046
64 HB THR 10 HB THR 10 -6.023 6.321 -0.503
65 HG1 THR 10 HG1 THR 10 -5.961 3.625 -1.001
66 HG21 THR 10 HG21 THR 10 -5.164 5.383 -3.242
67 HG22 THR 10 HG22 THR 10 -4.957 7.008 -2.588
68 HG23 THR 10 HG23 THR 10 -6.576 6.381 -2.894
69 H GLU 11 H GLU 11 -4.292 7.214 0.827
70 HA GLU 11 HA GLU 11 -3.228 6.330 3.238
71 HB2 GLU 11 HB2 GLU 11 -5.365 8.445 3.022
72 HB3 GLU 11 HB3 GLU 11 -4.104 8.318 4.237
73 HG2 GLU 11 HG2 GLU 11 -2.448 8.661 2.375
74 HG3 GLU 11 HG3 GLU 11 -3.824 9.063 1.348
75 H ILE 12 H ILE 12 -6.331 5.705 1.943
76 HA ILE 12 HA ILE 12 -7.244 4.632 4.518
77 HB ILE 12 HB ILE 12 -9.371 4.970 2.578
78 HG12 ILE 12 HG12 ILE 12 -7.985 6.971 1.922
79 HG13 ILE 12 HG13 ILE 12 -9.585 7.365 2.522
80 HG21 ILE 12 HG21 ILE 12 -10.497 5.983 4.494
81 HG22 ILE 12 HG22 ILE 12 -8.975 5.954 5.385
82 HG23 ILE 12 HG23 ILE 12 -9.735 4.442 4.889
83 HD11 ILE 12 HD11 ILE 12 -8.703 8.199 4.565
84 HD12 ILE 12 HD12 ILE 12 -7.719 8.877 3.269
85 HD13 ILE 12 HD13 ILE 12 -7.107 7.530 4.228
86 H SER 13 H SER 13 -6.288 3.724 1.360
87 HA SER 13 HA SER 13 -7.490 1.092 1.796
88 HB2 SER 13 HB2 SER 13 -7.509 2.547 -0.852
89 HB3 SER 13 HB3 SER 13 -8.015 0.875 -0.612
90 HG SER 13 HG SER 13 -9.204 2.733 1.055
91 H ILE 14 H ILE 14 -6.396 -0.666 1.111
92 HA ILE 14 HA ILE 14 -3.918 -0.434 -0.351
93 HB ILE 14 HB ILE 14 -2.572 -1.683 1.356
94 HG12 ILE 14 HG12 ILE 14 -3.494 -1.025 3.808
95 HG13 ILE 14 HG13 ILE 14 -5.026 -1.297 2.983
96 HG21 ILE 14 HG21 ILE 14 -1.976 0.269 2.686
97 HG22 ILE 14 HG22 ILE 14 -3.462 1.067 2.167
98 HG23 ILE 14 HG23 ILE 14 -2.213 0.673 0.984
99 HD11 ILE 14 HD11 ILE 14 -4.251 -3.313 4.096
100 HD12 ILE 14 HD12 ILE 14 -2.751 -3.259 3.172
101 HD13 ILE 14 HD13 ILE 14 -4.285 -3.534 2.346
102 HA PRO 15 HA PRO 15 -5.341 -4.518 -1.578
103 HB2 PRO 15 HB2 PRO 15 -3.180 -5.285 -3.037
104 HB3 PRO 15 HB3 PRO 15 -4.305 -4.039 -3.609
105 HG2 PRO 15 HG2 PRO 15 -1.635 -3.724 -2.326
106 HG3 PRO 15 HG3 PRO 15 -2.334 -2.868 -3.717
107 HD2 PRO 15 HD2 PRO 15 -2.261 -1.815 -1.221
108 HD3 PRO 15 HD3 PRO 15 -3.521 -1.422 -2.409
109 HA PRO 16 HA PRO 16 -3.373 -7.485 1.167
110 HB2 PRO 16 HB2 PRO 16 -2.947 -9.649 -0.736
111 HB3 PRO 16 HB3 PRO 16 -4.194 -9.510 0.513
112 HG2 PRO 16 HG2 PRO 16 -4.763 -9.424 -2.122
113 HG3 PRO 16 HG3 PRO 16 -5.705 -8.543 -0.901
114 HD2 PRO 16 HD2 PRO 16 -3.549 -7.524 -2.713
115 HD3 PRO 16 HD3 PRO 16 -5.125 -6.798 -2.322
116 H CYS 17 H CYS 17 -1.679 -8.136 -1.917
117 HA CYS 17 HA CYS 17 0.473 -8.565 -2.436
118 HB2 CYS 17 HB2 CYS 17 1.247 -6.265 -0.667
119 HB3 CYS 17 HB3 CYS 17 1.935 -6.742 -2.215
120 H CYS 18 H CYS 18 1.259 -10.401 -1.798
121 HA CYS 18 HA CYS 18 2.205 -10.721 0.953
122 HB2 CYS 18 HB2 CYS 18 1.431 -12.630 -1.217
123 HB3 CYS 18 HB3 CYS 18 2.519 -13.171 0.058
124 H SER 19 H SER 19 3.390 -10.087 -2.181
125 HA SER 19 HA SER 19 6.132 -10.492 -1.229
126 HB2 SER 19 HB2 SER 19 5.132 -11.426 -3.924
127 HB3 SER 19 HB3 SER 19 6.824 -11.398 -3.432
128 HG SER 19 HG SER 19 6.440 -12.986 -1.980
129 H ASN 20 H ASN 20 3.876 -8.704 -3.109
130 HA ASN 20 HA ASN 20 5.891 -7.018 -4.349
131 HB2 ASN 20 HB2 ASN 20 2.876 -6.993 -4.436
132 HB3 ASN 20 HB3 ASN 20 3.862 -5.780 -5.230
133 HD21 ASN 20 HD21 ASN 20 3.078 -6.349 -7.250
134 HD22 ASN 20 HD22 ASN 20 3.562 -7.801 -8.053
135 H PHE 21 H PHE 21 4.852 -4.496 -4.255
136 HA PHE 21 HA PHE 21 4.918 -3.825 -1.388
137 HB2 PHE 21 HB2 PHE 21 6.151 -1.782 -1.971
138 HB3 PHE 21 HB3 PHE 21 7.024 -3.218 -2.470
139 HD1 PHE 21 HD1 PHE 21 7.862 -3.360 -4.613
140 HD2 PHE 21 HD2 PHE 21 4.769 -0.546 -3.822
141 HE1 PHE 21 HE1 PHE 21 8.183 -2.394 -6.846
142 HE2 PHE 21 HE2 PHE 21 5.082 0.420 -6.065
143 HZ PHE 21 HZ PHE 21 6.792 -0.500 -7.577
144 H CYS 22 H CYS 22 3.802 -1.964 -0.703
145 HA CYS 22 HA CYS 22 1.722 -1.005 -2.557
146 HB2 CYS 22 HB2 CYS 22 0.648 -2.342 -0.846
147 HB3 CYS 22 HB3 CYS 22 1.533 -1.510 0.425
148 H LEU 23 H LEU 23 2.236 0.964 -3.158
149 HA LEU 23 HA LEU 23 4.038 2.594 -1.651
150 HB2 LEU 23 HB2 LEU 23 2.709 2.771 -4.302
151 HB3 LEU 23 HB3 LEU 23 3.365 4.238 -3.611
152 HG LEU 23 HG LEU 23 4.922 1.707 -4.195
153 HD11 LEU 23 HD11 LEU 23 4.620 4.315 -5.641
154 HD12 LEU 23 HD12 LEU 23 4.456 2.672 -6.260
155 HD13 LEU 23 HD13 LEU 23 6.048 3.302 -5.847
156 HD21 LEU 23 HD21 LEU 23 5.675 4.293 -2.879
157 HD22 LEU 23 HD22 LEU 23 6.862 3.446 -3.869
158 HD23 LEU 23 HD23 LEU 23 6.153 2.644 -2.468
159 H ARG 24 H ARG 24 2.220 2.314 0.073
160 HA ARG 24 HA ARG 24 0.351 4.564 0.062
161 HB2 ARG 24 HB2 ARG 24 -0.067 2.066 0.872
162 HB3 ARG 24 HB3 ARG 24 0.645 2.656 2.360
163 HG2 ARG 24 HG2 ARG 24 -1.669 4.092 1.100
164 HG3 ARG 24 HG3 ARG 24 -1.926 2.659 2.087
165 HD2 ARG 24 HD2 ARG 24 -2.157 4.341 3.644
166 HD3 ARG 24 HD3 ARG 24 -0.457 3.921 3.833
167 HE ARG 24 HE ARG 24 -0.465 5.928 1.980
168 HH11 ARG 24 HH11 ARG 24 -1.666 5.640 5.268
169 HH12 ARG 24 HH12 ARG 24 -1.457 7.324 5.614
170 HH21 ARG 24 HH21 ARG 24 -0.210 8.133 2.454
171 HH22 ARG 24 HH22 ARG 24 -0.635 8.732 4.023
172 H TYR 25 H TYR 25 2.701 5.618 -0.048
173 HA TYR 25 HA TYR 25 4.141 5.923 2.389
174 HB2 TYR 25 HB2 TYR 25 4.801 6.308 -0.169
175 HB3 TYR 25 HB3 TYR 25 4.376 7.966 0.240
176 HD1 TYR 25 HD1 TYR 25 5.751 9.264 1.749
177 HD2 TYR 25 HD2 TYR 25 6.707 5.206 0.902
178 HE1 TYR 25 HE1 TYR 25 7.973 9.586 2.749
179 HE2 TYR 25 HE2 TYR 25 8.932 5.516 1.901
180 HH TYR 25 HH TYR 25 10.498 7.351 2.377
181 H ALA 26 H ALA 26 4.504 8.028 3.478
182 HA ALA 26 HA ALA 26 2.076 9.193 4.362
183 HB1 ALA 26 HB1 ALA 26 4.889 10.158 4.812
184 HB2 ALA 26 HB2 ALA 26 4.047 8.955 5.789
185 HB3 ALA 26 HB3 ALA 26 3.462 10.619 5.740
186 H GLY 27 H GLY 27 4.167 9.969 1.764
187 HA2 GLY 27 HA2 GLY 27 2.976 12.650 1.469
188 HA3 GLY 27 HA3 GLY 27 4.491 12.136 0.741
189 H GLN 28 H GLN 28 2.747 9.508 0.276
190 HA GLN 28 HA GLN 28 1.863 10.336 -2.391
191 HB2 GLN 28 HB2 GLN 28 2.449 7.631 -1.187
192 HB3 GLN 28 HB3 GLN 28 1.694 7.826 -2.763
193 HG2 GLN 28 HG2 GLN 28 3.657 9.054 -3.551
194 HG3 GLN 28 HG3 GLN 28 4.415 8.850 -1.973
195 HE21 GLN 28 HE21 GLN 28 3.456 7.286 -4.921
196 HE22 GLN 28 HE22 GLN 28 4.359 5.833 -4.685
197 H LYS 29 H LYS 29 -0.200 10.415 -2.963
198 HA LYS 29 HA LYS 29 -2.231 9.534 -1.035
199 HB2 LYS 29 HB2 LYS 29 -1.948 11.978 -2.050
200 HB3 LYS 29 HB3 LYS 29 -2.895 11.286 -3.360
201 HG2 LYS 29 HG2 LYS 29 -4.651 10.685 -1.766
202 HG3 LYS 29 HG3 LYS 29 -3.701 11.397 -0.460
203 HD2 LYS 29 HD2 LYS 29 -3.817 13.577 -1.560
204 HD3 LYS 29 HD3 LYS 29 -4.747 12.868 -2.881
205 HE2 LYS 29 HE2 LYS 29 -5.654 12.784 -0.013
206 HE3 LYS 29 HE3 LYS 29 -6.066 14.106 -1.104
207 HZ1 LYS 29 HZ1 LYS 29 -7.134 12.506 -2.573
208 HZ2 LYS 29 HZ2 LYS 29 -7.819 12.452 -1.027
209 HZ3 LYS 29 HZ3 LYS 29 -6.742 11.242 -1.518
210 H SER 30 H SER 30 -0.729 8.255 -3.595
211 HA SER 30 HA SER 30 -2.781 6.407 -4.234
212 HB2 SER 30 HB2 SER 30 -2.898 6.910 -6.699
213 HB3 SER 30 HB3 SER 30 -3.665 8.133 -5.689
214 HG SER 30 HG SER 30 -2.199 8.875 -7.430
215 H GLY 31 H GLY 31 -1.211 4.954 -3.612
216 HA2 GLY 31 HA2 GLY 31 1.316 4.862 -5.064
217 HA3 GLY 31 HA3 GLY 31 0.867 3.867 -3.689
218 H THR 32 H THR 32 1.837 2.119 -5.069
219 HA THR 32 HA THR 32 -0.279 0.806 -6.519
220 HB THR 32 HB THR 32 0.591 2.085 -8.363
221 HG1 THR 32 HG1 THR 32 1.209 -0.663 -8.309
222 HG21 THR 32 HG21 THR 32 3.001 1.676 -9.122
223 HG22 THR 32 HG22 THR 32 3.297 1.087 -7.485
224 HG23 THR 32 HG23 THR 32 2.767 2.750 -7.743
225 H CYS 33 H CYS 33 -0.283 -1.245 -6.006
226 HA CYS 33 HA CYS 33 1.970 -2.500 -4.754
227 HB2 CYS 33 HB2 CYS 33 -0.318 -3.105 -4.073
228 HB3 CYS 33 HB3 CYS 33 -0.620 -3.784 -5.667
229 H ALA 34 H ALA 34 3.622 -3.120 -5.799
230 HA ALA 34 HA ALA 34 3.464 -4.536 -8.342
231 HB1 ALA 34 HB1 ALA 34 3.721 -2.210 -8.973
232 HB2 ALA 34 HB2 ALA 34 5.216 -3.085 -9.306
233 HB3 ALA 34 HB3 ALA 34 5.099 -2.044 -7.887
234 H ASN 35 H ASN 35 5.659 -5.476 -8.922
235 HA ASN 35 HA ASN 35 6.801 -6.702 -6.575
236 HB2 ASN 35 HB2 ASN 35 7.239 -7.043 -9.533
237 HB3 ASN 35 HB3 ASN 35 8.303 -7.817 -8.365
238 HD21 ASN 35 HD21 ASN 35 5.160 -7.780 -9.793
239 HD22 ASN 35 HD22 ASN 35 4.592 -9.252 -9.091
240 H ARG 36 H ARG 36 8.934 -6.656 -5.893
241 HA ARG 36 HA ARG 36 10.291 -4.131 -6.282
242 HB2 ARG 36 HB2 ARG 36 10.792 -6.499 -4.487
243 HB3 ARG 36 HB3 ARG 36 11.922 -5.158 -4.591
244 HG2 ARG 36 HG2 ARG 36 10.062 -3.635 -3.924
245 HG3 ARG 36 HG3 ARG 36 9.064 -5.067 -3.657
246 HD2 ARG 36 HD2 ARG 36 10.657 -5.880 -2.000
247 HD3 ARG 36 HD3 ARG 36 11.683 -4.474 -2.282
248 HE ARG 36 HE ARG 36 8.998 -3.804 -1.505
249 HH11 ARG 36 HH11 ARG 36 12.187 -4.611 -0.276
250 HH12 ARG 36 HH12 ARG 36 11.919 -3.838 1.251
251 HH21 ARG 36 HH21 ARG 36 9.930 -2.813 1.689
252 HH22 ARG 36 HH22 ARG 36 8.671 -2.798 0.500
Start of MODEL 14
1 H PCA 1 H3 PCA 1 1.685 -13.673 -2.717
2 HA PCA 1 HA PCA 1 0.572 -15.327 -4.927
3 HB2 PCA 1 HB2 PCA 1 -0.140 -16.071 -2.251
4 HB3 PCA 1 HB3 PCA 1 0.798 -16.994 -3.447
5 HG2 PCA 1 HG2 PCA 1 1.733 -15.537 -1.165
6 HG3 PCA 1 HG3 PCA 1 2.636 -16.582 -2.277
7 H CYS 2 H CYS 2 0.065 -12.665 -2.854
8 HA CYS 2 HA CYS 2 -2.834 -12.791 -3.347
9 HB2 CYS 2 HB2 CYS 2 -3.273 -11.780 -1.194
10 HB3 CYS 2 HB3 CYS 2 -2.305 -13.231 -0.968
11 H LYS 3 H LYS 3 -0.046 -11.147 -4.040
12 HA LYS 3 HA LYS 3 -1.028 -8.454 -4.000
13 HB2 LYS 3 HB2 LYS 3 1.121 -8.474 -5.785
14 HB3 LYS 3 HB3 LYS 3 1.173 -8.024 -4.097
15 HG2 LYS 3 HG2 LYS 3 2.907 -9.567 -4.380
16 HG3 LYS 3 HG3 LYS 3 1.614 -10.483 -3.606
17 HD2 LYS 3 HD2 LYS 3 1.054 -11.588 -5.612
18 HD3 LYS 3 HD3 LYS 3 1.972 -10.446 -6.593
19 HE2 LYS 3 HE2 LYS 3 4.049 -11.298 -5.732
20 HE3 LYS 3 HE3 LYS 3 3.195 -12.340 -4.593
21 HZ1 LYS 3 HZ1 LYS 3 3.960 -13.575 -6.518
22 HZ2 LYS 3 HZ2 LYS 3 3.091 -12.559 -7.553
23 HZ3 LYS 3 HZ3 LYS 3 2.269 -13.558 -6.465
24 HA PRO 4 HA PRO 4 -2.910 -8.716 -8.064
25 HB2 PRO 4 HB2 PRO 4 -3.461 -5.940 -8.189
26 HB3 PRO 4 HB3 PRO 4 -4.517 -7.197 -7.527
27 HG2 PRO 4 HG2 PRO 4 -3.361 -5.153 -6.055
28 HG3 PRO 4 HG3 PRO 4 -4.018 -6.658 -5.390
29 HD2 PRO 4 HD2 PRO 4 -1.172 -5.957 -6.019
30 HD3 PRO 4 HD3 PRO 4 -1.840 -6.836 -4.626
31 H ASN 5 H ASN 5 -0.173 -6.736 -7.457
32 HA ASN 5 HA ASN 5 1.305 -5.541 -8.688
33 HB2 ASN 5 HB2 ASN 5 1.664 -7.098 -11.015
34 HB3 ASN 5 HB3 ASN 5 2.641 -7.099 -9.557
35 HD21 ASN 5 HD21 ASN 5 2.345 -8.721 -8.031
36 HD22 ASN 5 HD22 ASN 5 1.507 -10.186 -8.398
37 H GLY 6 H GLY 6 0.423 -3.690 -9.232
38 HA2 GLY 6 HA2 GLY 6 0.240 -2.242 -11.207
39 HA3 GLY 6 HA3 GLY 6 -0.801 -3.471 -11.913
40 H ALA 7 H ALA 7 -1.270 -3.004 -8.567
41 HA ALA 7 HA ALA 7 -3.836 -1.684 -9.064
42 HB1 ALA 7 HB1 ALA 7 -2.764 -3.053 -6.599
43 HB2 ALA 7 HB2 ALA 7 -3.892 -3.736 -7.772
44 HB3 ALA 7 HB3 ALA 7 -4.384 -2.376 -6.765
45 H LYS 8 H LYS 8 -4.511 -0.194 -7.069
46 HA LYS 8 HA LYS 8 -2.310 1.702 -6.646
47 HB2 LYS 8 HB2 LYS 8 -4.998 2.050 -7.658
48 HB3 LYS 8 HB3 LYS 8 -4.707 3.080 -6.264
49 HG2 LYS 8 HG2 LYS 8 -4.007 4.463 -7.921
50 HG3 LYS 8 HG3 LYS 8 -2.488 3.640 -7.573
51 HD2 LYS 8 HD2 LYS 8 -2.897 2.100 -9.432
52 HD3 LYS 8 HD3 LYS 8 -4.426 2.912 -9.772
53 HE2 LYS 8 HE2 LYS 8 -3.213 4.990 -10.232
54 HE3 LYS 8 HE3 LYS 8 -1.688 4.169 -9.903
55 HZ1 LYS 8 HZ1 LYS 8 -3.590 3.477 -12.076
56 HZ2 LYS 8 HZ2 LYS 8 -2.129 2.686 -11.761
57 HZ3 LYS 8 HZ3 LYS 8 -2.124 4.299 -12.272
58 H CYS 9 H CYS 9 -2.022 2.678 -4.732
59 HA CYS 9 HA CYS 9 -3.511 1.637 -2.387
60 HB2 CYS 9 HB2 CYS 9 -0.650 2.591 -2.679
61 HB3 CYS 9 HB3 CYS 9 -1.413 2.283 -1.131
62 H THR 10 H THR 10 -3.912 3.136 -0.680
63 HA THR 10 HA THR 10 -3.495 5.976 -1.170
64 HB THR 10 HB THR 10 -5.975 6.394 -0.586
65 HG1 THR 10 HG1 THR 10 -5.953 3.705 -0.745
66 HG21 THR 10 HG21 THR 10 -5.006 6.935 -2.762
67 HG22 THR 10 HG22 THR 10 -6.641 6.298 -2.947
68 HG23 THR 10 HG23 THR 10 -5.249 5.272 -3.295
69 H GLU 11 H GLU 11 -4.162 7.306 0.729
70 HA GLU 11 HA GLU 11 -3.191 6.184 3.128
71 HB2 GLU 11 HB2 GLU 11 -3.881 8.344 4.185
72 HB3 GLU 11 HB3 GLU 11 -2.861 8.520 2.769
73 HG2 GLU 11 HG2 GLU 11 -4.907 9.017 1.435
74 HG3 GLU 11 HG3 GLU 11 -5.833 8.984 2.935
75 H ILE 12 H ILE 12 -6.056 5.542 1.757
76 HA ILE 12 HA ILE 12 -7.381 5.038 4.309
77 HB ILE 12 HB ILE 12 -9.452 4.961 2.688
78 HG12 ILE 12 HG12 ILE 12 -8.025 5.651 0.699
79 HG13 ILE 12 HG13 ILE 12 -9.522 6.534 0.930
80 HG21 ILE 12 HG21 ILE 12 -8.383 7.450 3.978
81 HG22 ILE 12 HG22 ILE 12 -9.388 6.209 4.724
82 HG23 ILE 12 HG23 ILE 12 -10.049 7.228 3.446
83 HD11 ILE 12 HD11 ILE 12 -8.141 8.357 2.001
84 HD12 ILE 12 HD12 ILE 12 -7.881 8.101 0.276
85 HD13 ILE 12 HD13 ILE 12 -6.715 7.481 1.444
86 H SER 13 H SER 13 -6.416 3.770 1.202
87 HA SER 13 HA SER 13 -7.360 1.138 2.052
88 HB2 SER 13 HB2 SER 13 -7.789 2.275 -0.717
89 HB3 SER 13 HB3 SER 13 -8.134 0.612 -0.241
90 HG SER 13 HG SER 13 -9.811 2.521 -0.138
91 H ILE 14 H ILE 14 -6.345 -0.652 1.147
92 HA ILE 14 HA ILE 14 -3.948 -0.355 -0.424
93 HB ILE 14 HB ILE 14 -2.505 -1.590 1.240
94 HG12 ILE 14 HG12 ILE 14 -3.316 -0.873 3.714
95 HG13 ILE 14 HG13 ILE 14 -4.886 -1.158 2.968
96 HG21 ILE 14 HG21 ILE 14 -3.375 1.176 2.018
97 HG22 ILE 14 HG22 ILE 14 -2.170 0.758 0.798
98 HG23 ILE 14 HG23 ILE 14 -1.867 0.400 2.499
99 HD11 ILE 14 HD11 ILE 14 -4.073 -3.150 4.093
100 HD12 ILE 14 HD12 ILE 14 -2.612 -3.127 3.105
101 HD13 ILE 14 HD13 ILE 14 -4.180 -3.415 2.352
102 HA PRO 15 HA PRO 15 -5.321 -4.478 -1.583
103 HB2 PRO 15 HB2 PRO 15 -3.165 -5.252 -3.048
104 HB3 PRO 15 HB3 PRO 15 -4.307 -4.027 -3.630
105 HG2 PRO 15 HG2 PRO 15 -1.632 -3.663 -2.368
106 HG3 PRO 15 HG3 PRO 15 -2.344 -2.843 -3.776
107 HD2 PRO 15 HD2 PRO 15 -2.276 -1.726 -1.312
108 HD3 PRO 15 HD3 PRO 15 -3.560 -1.391 -2.490
109 HA PRO 16 HA PRO 16 -3.317 -7.398 1.180
110 HB2 PRO 16 HB2 PRO 16 -2.879 -9.587 -0.687
111 HB3 PRO 16 HB3 PRO 16 -4.130 -9.433 0.558
112 HG2 PRO 16 HG2 PRO 16 -4.687 -9.393 -2.085
113 HG3 PRO 16 HG3 PRO 16 -5.647 -8.516 -0.877
114 HD2 PRO 16 HD2 PRO 16 -3.513 -7.478 -2.701
115 HD3 PRO 16 HD3 PRO 16 -5.095 -6.770 -2.304
116 H CYS 17 H CYS 17 -1.627 -8.024 -1.914
117 HA CYS 17 HA CYS 17 0.531 -8.451 -2.433
118 HB2 CYS 17 HB2 CYS 17 1.302 -6.175 -0.635
119 HB3 CYS 17 HB3 CYS 17 1.994 -6.635 -2.186
120 H CYS 18 H CYS 18 1.260 -10.320 -1.785
121 HA CYS 18 HA CYS 18 2.139 -10.696 0.973
122 HB2 CYS 18 HB2 CYS 18 1.658 -12.608 -1.305
123 HB3 CYS 18 HB3 CYS 18 2.411 -13.108 0.204
124 H SER 19 H SER 19 3.413 -10.143 -2.171
125 HA SER 19 HA SER 19 6.133 -10.448 -1.109
126 HB2 SER 19 HB2 SER 19 5.229 -11.525 -3.784
127 HB3 SER 19 HB3 SER 19 6.905 -11.445 -3.247
128 HG SER 19 HG SER 19 5.554 -13.477 -2.913
129 H ASN 20 H ASN 20 3.894 -8.732 -3.041
130 HA ASN 20 HA ASN 20 5.900 -7.098 -4.362
131 HB2 ASN 20 HB2 ASN 20 2.884 -7.066 -4.399
132 HB3 ASN 20 HB3 ASN 20 3.857 -5.873 -5.238
133 HD21 ASN 20 HD21 ASN 20 3.063 -6.476 -7.235
134 HD22 ASN 20 HD22 ASN 20 3.522 -7.949 -8.011
135 H PHE 21 H PHE 21 4.884 -4.567 -4.315
136 HA PHE 21 HA PHE 21 4.989 -3.827 -1.465
137 HB2 PHE 21 HB2 PHE 21 6.221 -1.800 -2.122
138 HB3 PHE 21 HB3 PHE 21 7.086 -3.258 -2.572
139 HD1 PHE 21 HD1 PHE 21 7.888 -3.501 -4.719
140 HD2 PHE 21 HD2 PHE 21 4.844 -0.614 -4.007
141 HE1 PHE 21 HE1 PHE 21 8.199 -2.628 -6.992
142 HE2 PHE 21 HE2 PHE 21 5.147 0.256 -6.289
143 HZ PHE 21 HZ PHE 21 6.826 -0.746 -7.781
144 H CYS 22 H CYS 22 3.893 -1.942 -0.815
145 HA CYS 22 HA CYS 22 1.800 -1.009 -2.667
146 HB2 CYS 22 HB2 CYS 22 0.712 -2.289 -0.943
147 HB3 CYS 22 HB3 CYS 22 1.653 -1.504 0.316
148 H LEU 23 H LEU 23 2.246 0.983 -3.288
149 HA LEU 23 HA LEU 23 4.116 2.613 -1.854
150 HB2 LEU 23 HB2 LEU 23 2.659 2.858 -4.442
151 HB3 LEU 23 HB3 LEU 23 3.448 4.264 -3.768
152 HG LEU 23 HG LEU 23 4.787 1.654 -4.508
153 HD11 LEU 23 HD11 LEU 23 4.056 3.935 -6.037
154 HD12 LEU 23 HD12 LEU 23 4.958 2.508 -6.547
155 HD13 LEU 23 HD13 LEU 23 5.812 3.904 -5.893
156 HD21 LEU 23 HD21 LEU 23 5.797 4.119 -3.132
157 HD22 LEU 23 HD22 LEU 23 6.867 3.227 -4.212
158 HD23 LEU 23 HD23 LEU 23 6.166 2.424 -2.809
159 H ARG 24 H ARG 24 2.270 2.291 -0.114
160 HA ARG 24 HA ARG 24 0.499 4.619 -0.034
161 HB2 ARG 24 HB2 ARG 24 -0.036 2.118 0.678
162 HB3 ARG 24 HB3 ARG 24 0.722 2.605 2.181
163 HG2 ARG 24 HG2 ARG 24 -1.548 4.186 1.012
164 HG3 ARG 24 HG3 ARG 24 -1.840 2.740 1.972
165 HD2 ARG 24 HD2 ARG 24 -1.955 4.369 3.589
166 HD3 ARG 24 HD3 ARG 24 -0.258 3.914 3.697
167 HE ARG 24 HE ARG 24 -0.228 5.950 1.920
168 HH11 ARG 24 HH11 ARG 24 -1.577 5.666 5.150
169 HH12 ARG 24 HH12 ARG 24 -1.378 7.350 5.506
170 HH21 ARG 24 HH21 ARG 24 0.017 8.152 2.405
171 HH22 ARG 24 HH22 ARG 24 -0.477 8.755 3.953
172 H TYR 25 H TYR 25 2.892 5.554 -0.131
173 HA TYR 25 HA TYR 25 4.443 5.684 2.231
174 HB2 TYR 25 HB2 TYR 25 4.953 6.277 -0.316
175 HB3 TYR 25 HB3 TYR 25 4.560 7.899 0.245
176 HD1 TYR 25 HD1 TYR 25 6.940 5.123 0.497
177 HD2 TYR 25 HD2 TYR 25 5.999 9.056 1.818
178 HE1 TYR 25 HE1 TYR 25 9.222 5.366 1.380
179 HE2 TYR 25 HE2 TYR 25 8.279 9.311 2.705
180 HH TYR 25 HH TYR 25 10.127 7.880 3.469
181 H ALA 26 H ALA 26 4.919 7.654 3.476
182 HA ALA 26 HA ALA 26 2.501 8.961 4.355
183 HB1 ALA 26 HB1 ALA 26 3.892 9.916 6.108
184 HB2 ALA 26 HB2 ALA 26 5.337 9.294 5.312
185 HB3 ALA 26 HB3 ALA 26 4.146 8.175 5.977
186 H GLY 27 H GLY 27 1.959 10.131 2.516
187 HA2 GLY 27 HA2 GLY 27 2.189 12.733 2.302
188 HA3 GLY 27 HA3 GLY 27 3.743 12.271 1.620
189 H GLN 28 H GLN 28 2.296 9.755 0.626
190 HA GLN 28 HA GLN 28 1.444 10.889 -1.923
191 HB2 GLN 28 HB2 GLN 28 2.277 8.156 -1.003
192 HB3 GLN 28 HB3 GLN 28 1.398 8.350 -2.513
193 HG2 GLN 28 HG2 GLN 28 3.178 9.979 -3.218
194 HG3 GLN 28 HG3 GLN 28 4.086 9.486 -1.790
195 HE21 GLN 28 HE21 GLN 28 4.972 7.424 -1.703
196 HE22 GLN 28 HE22 GLN 28 5.143 6.433 -3.108
197 H LYS 29 H LYS 29 -0.489 10.214 -2.969
198 HA LYS 29 HA LYS 29 -2.586 9.217 -1.157
199 HB2 LYS 29 HB2 LYS 29 -2.684 11.537 -3.078
200 HB3 LYS 29 HB3 LYS 29 -4.147 10.740 -2.517
201 HG2 LYS 29 HG2 LYS 29 -3.537 11.275 -0.201
202 HG3 LYS 29 HG3 LYS 29 -2.094 12.104 -0.785
203 HD2 LYS 29 HD2 LYS 29 -3.494 13.677 -2.025
204 HD3 LYS 29 HD3 LYS 29 -4.941 12.837 -1.467
205 HE2 LYS 29 HE2 LYS 29 -4.356 13.385 0.849
206 HE3 LYS 29 HE3 LYS 29 -2.919 14.234 0.281
207 HZ1 LYS 29 HZ1 LYS 29 -4.727 15.766 0.734
208 HZ2 LYS 29 HZ2 LYS 29 -5.725 14.959 -0.368
209 HZ3 LYS 29 HZ3 LYS 29 -4.348 15.775 -0.914
210 H SER 30 H SER 30 -0.823 8.211 -3.603
211 HA SER 30 HA SER 30 -2.782 6.402 -4.609
212 HB2 SER 30 HB2 SER 30 -2.546 7.043 -7.030
213 HB3 SER 30 HB3 SER 30 -3.432 8.223 -6.065
214 HG SER 30 HG SER 30 -0.701 8.380 -6.831
215 H GLY 31 H GLY 31 -1.303 4.898 -3.819
216 HA2 GLY 31 HA2 GLY 31 1.348 4.787 -5.049
217 HA3 GLY 31 HA3 GLY 31 0.778 3.797 -3.717
218 H THR 32 H THR 32 1.882 2.074 -5.139
219 HA THR 32 HA THR 32 -0.194 0.785 -6.669
220 HB THR 32 HB THR 32 0.725 2.113 -8.456
221 HG1 THR 32 HG1 THR 32 1.143 -0.638 -8.428
222 HG21 THR 32 HG21 THR 32 3.423 0.982 -7.691
223 HG22 THR 32 HG22 THR 32 2.922 2.672 -7.637
224 HG23 THR 32 HG23 THR 32 3.098 1.854 -9.189
225 H CYS 33 H CYS 33 -0.237 -1.234 -6.067
226 HA CYS 33 HA CYS 33 2.007 -2.518 -4.831
227 HB2 CYS 33 HB2 CYS 33 -0.288 -3.054 -4.112
228 HB3 CYS 33 HB3 CYS 33 -0.620 -3.762 -5.688
229 H ALA 34 H ALA 34 3.634 -3.201 -5.885
230 HA ALA 34 HA ALA 34 3.408 -4.696 -8.374
231 HB1 ALA 34 HB1 ALA 34 5.068 -2.198 -8.062
232 HB2 ALA 34 HB2 ALA 34 3.679 -2.411 -9.125
233 HB3 ALA 34 HB3 ALA 34 5.167 -3.307 -9.429
234 H ASN 35 H ASN 35 5.614 -5.644 -8.974
235 HA ASN 35 HA ASN 35 6.766 -6.824 -6.608
236 HB2 ASN 35 HB2 ASN 35 7.181 -7.231 -9.560
237 HB3 ASN 35 HB3 ASN 35 8.252 -7.982 -8.382
238 HD21 ASN 35 HD21 ASN 35 5.096 -7.965 -9.783
239 HD22 ASN 35 HD22 ASN 35 4.529 -9.419 -9.043
240 H ARG 36 H ARG 36 8.915 -6.782 -5.956
241 HA ARG 36 HA ARG 36 10.262 -4.260 -6.366
242 HB2 ARG 36 HB2 ARG 36 10.822 -6.637 -4.594
243 HB3 ARG 36 HB3 ARG 36 11.912 -5.263 -4.695
244 HG2 ARG 36 HG2 ARG 36 10.061 -3.793 -3.961
245 HG3 ARG 36 HG3 ARG 36 9.048 -5.225 -3.767
246 HD2 ARG 36 HD2 ARG 36 9.882 -4.745 -1.617
247 HD3 ARG 36 HD3 ARG 36 10.836 -6.107 -2.202
248 HE ARG 36 HE ARG 36 12.265 -3.863 -2.895
249 HH11 ARG 36 HH11 ARG 36 11.107 -5.228 0.127
250 HH12 ARG 36 HH12 ARG 36 12.405 -4.559 1.059
251 HH21 ARG 36 HH21 ARG 36 14.015 -3.297 0.050
252 HH22 ARG 36 HH22 ARG 36 13.953 -2.997 -1.655
Start of MODEL 15
1 H PCA 1 H3 PCA 1 1.982 -14.914 -4.481
2 HA PCA 1 HA PCA 1 -0.129 -15.753 -5.279
3 HB2 PCA 1 HB2 PCA 1 -0.764 -15.857 -2.488
4 HB3 PCA 1 HB3 PCA 1 0.044 -17.085 -3.488
5 HG2 PCA 1 HG2 PCA 1 1.195 -15.279 -1.593
6 HG3 PCA 1 HG3 PCA 1 1.967 -16.589 -2.503
7 H CYS 2 H CYS 2 -0.339 -12.763 -3.587
8 HA CYS 2 HA CYS 2 -3.220 -12.623 -4.151
9 HB2 CYS 2 HB2 CYS 2 -3.539 -11.288 -2.116
10 HB3 CYS 2 HB3 CYS 2 -2.915 -12.890 -1.746
11 H LYS 3 H LYS 3 -0.139 -11.084 -4.209
12 HA LYS 3 HA LYS 3 -0.932 -8.429 -4.756
13 HB2 LYS 3 HB2 LYS 3 1.553 -8.838 -6.034
14 HB3 LYS 3 HB3 LYS 3 1.242 -8.035 -4.518
15 HG2 LYS 3 HG2 LYS 3 2.925 -9.649 -4.125
16 HG3 LYS 3 HG3 LYS 3 1.453 -10.264 -3.386
17 HD2 LYS 3 HD2 LYS 3 2.319 -12.142 -4.444
18 HD3 LYS 3 HD3 LYS 3 1.140 -11.548 -5.611
19 HE2 LYS 3 HE2 LYS 3 2.881 -10.544 -6.937
20 HE3 LYS 3 HE3 LYS 3 4.093 -10.927 -5.718
21 HZ1 LYS 3 HZ1 LYS 3 2.547 -12.906 -7.304
22 HZ2 LYS 3 HZ2 LYS 3 3.709 -13.278 -6.133
23 HZ3 LYS 3 HZ3 LYS 3 4.167 -12.488 -7.556
24 HA PRO 4 HA PRO 4 -1.838 -9.154 -9.136
25 HB2 PRO 4 HB2 PRO 4 -3.166 -6.877 -9.639
26 HB3 PRO 4 HB3 PRO 4 -3.846 -8.128 -8.585
27 HG2 PRO 4 HG2 PRO 4 -2.743 -5.492 -7.882
28 HG3 PRO 4 HG3 PRO 4 -3.926 -6.490 -7.017
29 HD2 PRO 4 HD2 PRO 4 -1.101 -6.251 -6.512
30 HD3 PRO 4 HD3 PRO 4 -2.294 -7.236 -5.645
31 H ASN 5 H ASN 5 0.248 -6.742 -7.933
32 HA ASN 5 HA ASN 5 1.895 -5.448 -8.752
33 HB2 ASN 5 HB2 ASN 5 1.655 -7.397 -11.002
34 HB3 ASN 5 HB3 ASN 5 2.712 -6.001 -11.155
35 HD21 ASN 5 HD21 ASN 5 2.107 -8.952 -9.380
36 HD22 ASN 5 HD22 ASN 5 3.701 -9.105 -8.730
37 H GLY 6 H GLY 6 -0.718 -4.503 -8.929
38 HA2 GLY 6 HA2 GLY 6 -0.363 -2.203 -10.517
39 HA3 GLY 6 HA3 GLY 6 -1.443 -3.312 -11.350
40 H ALA 7 H ALA 7 -1.222 -2.915 -7.840
41 HA ALA 7 HA ALA 7 -4.021 -1.966 -7.882
42 HB1 ALA 7 HB1 ALA 7 -2.514 -3.510 -5.790
43 HB2 ALA 7 HB2 ALA 7 -3.936 -4.007 -6.705
44 HB3 ALA 7 HB3 ALA 7 -4.071 -2.746 -5.483
45 H LYS 8 H LYS 8 -4.512 0.002 -7.192
46 HA LYS 8 HA LYS 8 -2.420 1.780 -6.338
47 HB2 LYS 8 HB2 LYS 8 -5.024 2.000 -7.522
48 HB3 LYS 8 HB3 LYS 8 -4.906 3.081 -6.140
49 HG2 LYS 8 HG2 LYS 8 -3.142 4.279 -7.071
50 HG3 LYS 8 HG3 LYS 8 -2.768 3.004 -8.234
51 HD2 LYS 8 HD2 LYS 8 -4.920 3.435 -9.359
52 HD3 LYS 8 HD3 LYS 8 -5.227 4.754 -8.228
53 HE2 LYS 8 HE2 LYS 8 -3.214 5.900 -9.027
54 HE3 LYS 8 HE3 LYS 8 -2.911 4.580 -10.155
55 HZ1 LYS 8 HZ1 LYS 8 -5.000 5.089 -11.257
56 HZ2 LYS 8 HZ2 LYS 8 -3.988 6.445 -11.245
57 HZ3 LYS 8 HZ3 LYS 8 -5.293 6.355 -10.172
58 H CYS 9 H CYS 9 -1.948 2.492 -4.411
59 HA CYS 9 HA CYS 9 -3.549 1.660 -2.085
60 HB2 CYS 9 HB2 CYS 9 -0.744 2.781 -2.296
61 HB3 CYS 9 HB3 CYS 9 -1.530 2.334 -0.795
62 H THR 10 H THR 10 -4.029 3.172 -0.414
63 HA THR 10 HA THR 10 -3.714 6.008 -0.969
64 HB THR 10 HB THR 10 -6.228 6.323 -0.386
65 HG1 THR 10 HG1 THR 10 -6.047 3.611 -0.785
66 HG21 THR 10 HG21 THR 10 -5.370 5.303 -3.097
67 HG22 THR 10 HG22 THR 10 -5.221 6.962 -2.517
68 HG23 THR 10 HG23 THR 10 -6.818 6.257 -2.768
69 H GLU 11 H GLU 11 -4.568 7.347 0.861
70 HA GLU 11 HA GLU 11 -3.336 6.751 3.250
71 HB2 GLU 11 HB2 GLU 11 -5.782 8.501 3.066
72 HB3 GLU 11 HB3 GLU 11 -4.456 8.632 4.208
73 HG2 GLU 11 HG2 GLU 11 -3.994 8.974 1.273
74 HG3 GLU 11 HG3 GLU 11 -4.603 10.301 2.259
75 H ILE 12 H ILE 12 -6.506 5.781 2.244
76 HA ILE 12 HA ILE 12 -7.003 4.612 4.889
77 HB ILE 12 HB ILE 12 -9.300 4.928 3.067
78 HG12 ILE 12 HG12 ILE 12 -8.182 7.124 2.730
79 HG13 ILE 12 HG13 ILE 12 -9.722 7.278 3.555
80 HG21 ILE 12 HG21 ILE 12 -8.905 5.408 6.004
81 HG22 ILE 12 HG22 ILE 12 -9.563 3.959 5.242
82 HG23 ILE 12 HG23 ILE 12 -10.448 5.482 5.152
83 HD11 ILE 12 HD11 ILE 12 -8.066 8.798 4.479
84 HD12 ILE 12 HD12 ILE 12 -6.997 7.443 4.843
85 HD13 ILE 12 HD13 ILE 12 -8.541 7.599 5.683
86 H SER 13 H SER 13 -6.289 3.757 1.660
87 HA SER 13 HA SER 13 -7.374 1.080 2.166
88 HB2 SER 13 HB2 SER 13 -8.808 2.324 0.521
89 HB3 SER 13 HB3 SER 13 -7.417 2.373 -0.562
90 HG SER 13 HG SER 13 -8.938 0.160 0.285
91 H ILE 14 H ILE 14 -6.270 -0.658 1.434
92 HA ILE 14 HA ILE 14 -3.815 -0.341 -0.061
93 HB ILE 14 HB ILE 14 -2.434 -1.621 1.601
94 HG12 ILE 14 HG12 ILE 14 -3.331 -1.043 4.076
95 HG13 ILE 14 HG13 ILE 14 -4.876 -1.292 3.268
96 HG21 ILE 14 HG21 ILE 14 -2.054 0.715 1.298
97 HG22 ILE 14 HG22 ILE 14 -1.900 0.324 3.012
98 HG23 ILE 14 HG23 ILE 14 -3.359 1.118 2.416
99 HD11 ILE 14 HD11 ILE 14 -2.597 -3.257 3.364
100 HD12 ILE 14 HD12 ILE 14 -4.140 -3.509 2.550
101 HD13 ILE 14 HD13 ILE 14 -4.086 -3.342 4.304
102 HA PRO 15 HA PRO 15 -5.182 -4.393 -1.442
103 HB2 PRO 15 HB2 PRO 15 -3.002 -5.085 -2.911
104 HB3 PRO 15 HB3 PRO 15 -4.142 -3.837 -3.447
105 HG2 PRO 15 HG2 PRO 15 -1.480 -3.521 -2.142
106 HG3 PRO 15 HG3 PRO 15 -2.186 -2.626 -3.502
107 HD2 PRO 15 HD2 PRO 15 -2.142 -1.661 -0.976
108 HD3 PRO 15 HD3 PRO 15 -3.405 -1.252 -2.151
109 HA PRO 16 HA PRO 16 -3.201 -7.441 1.198
110 HB2 PRO 16 HB2 PRO 16 -2.846 -9.546 -0.790
111 HB3 PRO 16 HB3 PRO 16 -4.048 -9.442 0.508
112 HG2 PRO 16 HG2 PRO 16 -4.719 -9.269 -2.095
113 HG3 PRO 16 HG3 PRO 16 -5.602 -8.414 -0.813
114 HD2 PRO 16 HD2 PRO 16 -3.501 -7.359 -2.677
115 HD3 PRO 16 HD3 PRO 16 -5.054 -6.630 -2.205
116 H CYS 17 H CYS 17 -1.592 -7.788 -1.988
117 HA CYS 17 HA CYS 17 0.551 -8.169 -2.601
118 HB2 CYS 17 HB2 CYS 17 1.200 -6.072 -0.525
119 HB3 CYS 17 HB3 CYS 17 2.124 -6.451 -1.973
120 H CYS 18 H CYS 18 0.874 -10.247 -2.007
121 HA CYS 18 HA CYS 18 1.757 -11.008 0.610
122 HB2 CYS 18 HB2 CYS 18 1.509 -12.540 -1.977
123 HB3 CYS 18 HB3 CYS 18 2.014 -13.270 -0.459
124 H SER 19 H SER 19 3.300 -10.137 -2.369
125 HA SER 19 HA SER 19 5.925 -10.502 -1.084
126 HB2 SER 19 HB2 SER 19 5.353 -11.421 -3.910
127 HB3 SER 19 HB3 SER 19 6.917 -11.469 -3.100
128 HG SER 19 HG SER 19 5.707 -13.482 -3.078
129 H ASN 20 H ASN 20 3.815 -8.602 -2.813
130 HA ASN 20 HA ASN 20 5.827 -6.980 -4.157
131 HB2 ASN 20 HB2 ASN 20 2.827 -6.966 -4.093
132 HB3 ASN 20 HB3 ASN 20 3.743 -5.675 -4.847
133 HD21 ASN 20 HD21 ASN 20 2.598 -6.284 -6.731
134 HD22 ASN 20 HD22 ASN 20 3.172 -7.587 -7.708
135 H PHE 21 H PHE 21 4.765 -4.480 -4.019
136 HA PHE 21 HA PHE 21 4.909 -3.767 -1.171
137 HB2 PHE 21 HB2 PHE 21 6.060 -1.676 -1.876
138 HB3 PHE 21 HB3 PHE 21 6.986 -3.124 -2.217
139 HD1 PHE 21 HD1 PHE 21 4.693 -0.664 -3.871
140 HD2 PHE 21 HD2 PHE 21 7.903 -3.426 -4.304
141 HE1 PHE 21 HE1 PHE 21 5.067 0.124 -6.170
142 HE2 PHE 21 HE2 PHE 21 8.276 -2.645 -6.602
143 HZ PHE 21 HZ PHE 21 6.859 -0.864 -7.539
144 H CYS 22 H CYS 22 3.830 -1.833 -0.541
145 HA CYS 22 HA CYS 22 1.669 -1.001 -2.361
146 HB2 CYS 22 HB2 CYS 22 0.676 -2.244 -0.537
147 HB3 CYS 22 HB3 CYS 22 1.611 -1.342 0.649
148 H LEU 23 H LEU 23 2.148 0.934 -3.100
149 HA LEU 23 HA LEU 23 3.997 2.651 -1.751
150 HB2 LEU 23 HB2 LEU 23 2.553 2.718 -4.354
151 HB3 LEU 23 HB3 LEU 23 3.286 4.192 -3.761
152 HG LEU 23 HG LEU 23 4.703 1.587 -4.376
153 HD11 LEU 23 HD11 LEU 23 5.787 3.754 -5.793
154 HD12 LEU 23 HD12 LEU 23 4.035 3.900 -5.936
155 HD13 LEU 23 HD13 LEU 23 4.839 2.411 -6.430
156 HD21 LEU 23 HD21 LEU 23 6.052 2.383 -2.679
157 HD22 LEU 23 HD22 LEU 23 5.634 4.069 -2.985
158 HD23 LEU 23 HD23 LEU 23 6.749 3.227 -4.061
159 H ARG 24 H ARG 24 2.167 2.392 0.007
160 HA ARG 24 HA ARG 24 0.336 4.673 -0.017
161 HB2 ARG 24 HB2 ARG 24 -0.054 2.182 0.900
162 HB3 ARG 24 HB3 ARG 24 0.638 2.872 2.354
163 HG2 ARG 24 HG2 ARG 24 -1.640 4.292 1.043
164 HG3 ARG 24 HG3 ARG 24 -1.964 2.829 1.963
165 HD2 ARG 24 HD2 ARG 24 -2.251 4.542 3.514
166 HD3 ARG 24 HD3 ARG 24 -0.634 3.935 3.853
167 HE ARG 24 HE ARG 24 -0.513 6.094 2.027
168 HH11 ARG 24 HH11 ARG 24 -1.059 5.444 5.436
169 HH12 ARG 24 HH12 ARG 24 -0.496 7.002 5.942
170 HH21 ARG 24 HH21 ARG 24 0.223 8.130 2.716
171 HH22 ARG 24 HH22 ARG 24 0.228 8.518 4.404
172 H TYR 25 H TYR 25 2.698 5.676 -0.214
173 HA TYR 25 HA TYR 25 4.193 6.034 2.186
174 HB2 TYR 25 HB2 TYR 25 4.833 6.279 -0.386
175 HB3 TYR 25 HB3 TYR 25 4.448 7.966 -0.064
176 HD1 TYR 25 HD1 TYR 25 6.713 5.186 0.761
177 HD2 TYR 25 HD2 TYR 25 5.885 9.321 1.320
178 HE1 TYR 25 HE1 TYR 25 8.958 5.502 1.714
179 HE2 TYR 25 HE2 TYR 25 8.125 9.648 2.275
180 HH TYR 25 HH TYR 25 9.870 8.312 3.380
181 H ALA 26 H ALA 26 4.619 8.154 3.196
182 HA ALA 26 HA ALA 26 2.227 9.441 4.024
183 HB1 ALA 26 HB1 ALA 26 3.658 10.835 5.390
184 HB2 ALA 26 HB2 ALA 26 5.076 10.280 4.500
185 HB3 ALA 26 HB3 ALA 26 4.158 9.146 5.491
186 H GLY 27 H GLY 27 4.318 10.019 1.390
187 HA2 GLY 27 HA2 GLY 27 3.258 12.753 1.038
188 HA3 GLY 27 HA3 GLY 27 4.779 12.186 0.366
189 H GLN 28 H GLN 28 2.141 9.987 0.238
190 HA GLN 28 HA GLN 28 1.561 10.710 -2.556
191 HB2 GLN 28 HB2 GLN 28 2.223 7.985 -1.451
192 HB3 GLN 28 HB3 GLN 28 1.352 8.193 -2.963
193 HG2 GLN 28 HG2 GLN 28 3.251 9.498 -3.845
194 HG3 GLN 28 HG3 GLN 28 4.126 9.194 -2.345
195 HE21 GLN 28 HE21 GLN 28 4.931 7.148 -1.932
196 HE22 GLN 28 HE22 GLN 28 5.056 5.935 -3.156
197 H LYS 29 H LYS 29 -0.484 10.144 -3.329
198 HA LYS 29 HA LYS 29 -2.469 9.463 -1.260
199 HB2 LYS 29 HB2 LYS 29 -2.642 11.457 -3.523
200 HB3 LYS 29 HB3 LYS 29 -4.067 10.859 -2.689
201 HG2 LYS 29 HG2 LYS 29 -3.685 12.806 -1.546
202 HG3 LYS 29 HG3 LYS 29 -2.780 11.665 -0.549
203 HD2 LYS 29 HD2 LYS 29 -0.713 12.296 -1.709
204 HD3 LYS 29 HD3 LYS 29 -1.620 13.435 -2.706
205 HE2 LYS 29 HE2 LYS 29 -1.552 13.581 0.299
206 HE3 LYS 29 HE3 LYS 29 -0.382 14.411 -0.723
207 HZ1 LYS 29 HZ1 LYS 29 -3.325 14.813 -0.788
208 HZ2 LYS 29 HZ2 LYS 29 -2.201 15.612 -1.769
209 HZ3 LYS 29 HZ3 LYS 29 -2.200 15.871 -0.098
210 H SER 30 H SER 30 -0.923 8.168 -3.769
211 HA SER 30 HA SER 30 -2.927 6.224 -4.346
212 HB2 SER 30 HB2 SER 30 -2.128 8.121 -6.578
213 HB3 SER 30 HB3 SER 30 -2.953 6.585 -6.831
214 HG SER 30 HG SER 30 -4.136 8.249 -4.979
215 H GLY 31 H GLY 31 -1.463 4.699 -3.722
216 HA2 GLY 31 HA2 GLY 31 1.189 4.649 -4.931
217 HA3 GLY 31 HA3 GLY 31 0.608 3.596 -3.656
218 H THR 32 H THR 32 1.692 1.891 -4.992
219 HA THR 32 HA THR 32 -0.263 0.614 -6.656
220 HB THR 32 HB THR 32 0.639 2.022 -8.391
221 HG1 THR 32 HG1 THR 32 1.290 -0.704 -8.427
222 HG21 THR 32 HG21 THR 32 2.784 2.659 -7.476
223 HG22 THR 32 HG22 THR 32 3.041 1.914 -9.054
224 HG23 THR 32 HG23 THR 32 3.368 0.998 -7.583
225 H CYS 33 H CYS 33 -0.221 -1.418 -6.114
226 HA CYS 33 HA CYS 33 1.990 -2.700 -4.850
227 HB2 CYS 33 HB2 CYS 33 -0.473 -3.315 -4.557
228 HB3 CYS 33 HB3 CYS 33 -0.356 -4.121 -6.114
229 H ALA 34 H ALA 34 3.575 -3.827 -5.720
230 HA ALA 34 HA ALA 34 3.727 -4.954 -8.305
231 HB1 ALA 34 HB1 ALA 34 5.459 -3.395 -9.191
232 HB2 ALA 34 HB2 ALA 34 5.099 -2.308 -7.849
233 HB3 ALA 34 HB3 ALA 34 3.861 -2.662 -9.052
234 H ASN 35 H ASN 35 5.972 -5.827 -8.699
235 HA ASN 35 HA ASN 35 7.072 -6.787 -6.210
236 HB2 ASN 35 HB2 ASN 35 7.540 -7.387 -9.104
237 HB3 ASN 35 HB3 ASN 35 8.754 -7.877 -7.927
238 HD21 ASN 35 HD21 ASN 35 5.494 -8.319 -9.039
239 HD22 ASN 35 HD22 ASN 35 5.190 -9.791 -8.188
240 H ARG 36 H ARG 36 9.140 -6.555 -5.428
241 HA ARG 36 HA ARG 36 10.482 -4.075 -6.233
242 HB2 ARG 36 HB2 ARG 36 9.716 -4.817 -3.782
243 HB3 ARG 36 HB3 ARG 36 11.301 -5.576 -3.793
244 HG2 ARG 36 HG2 ARG 36 12.346 -3.429 -4.259
245 HG3 ARG 36 HG3 ARG 36 10.760 -2.656 -4.301
246 HD2 ARG 36 HD2 ARG 36 10.400 -3.304 -1.959
247 HD3 ARG 36 HD3 ARG 36 12.001 -4.040 -1.925
248 HE ARG 36 HE ARG 36 12.407 -1.441 -2.719
249 HH11 ARG 36 HH11 ARG 36 11.019 -2.980 0.117
250 HH12 ARG 36 HH12 ARG 36 11.459 -1.684 1.178
251 HH21 ARG 36 HH21 ARG 36 12.563 0.140 0.368
252 HH22 ARG 36 HH22 ARG 36 12.973 0.244 -1.311
Start of MODEL 16
1 H PCA 1 H3 PCA 1 -4.332 -15.225 -2.005
2 HA PCA 1 HA PCA 1 -5.661 -13.216 -2.356
3 HB2 PCA 1 HB2 PCA 1 -4.201 -11.309 -0.961
4 HB3 PCA 1 HB3 PCA 1 -5.775 -11.973 -0.468
5 HG2 PCA 1 HG2 PCA 1 -3.105 -12.547 0.558
6 HG3 PCA 1 HG3 PCA 1 -4.692 -12.802 1.307
7 H CYS 2 H CYS 2 -2.308 -12.679 -1.429
8 HA CYS 2 HA CYS 2 -0.432 -12.006 -2.457
9 HB2 CYS 2 HB2 CYS 2 -1.612 -13.746 -4.600
10 HB3 CYS 2 HB3 CYS 2 -0.035 -12.985 -4.786
11 H LYS 3 H LYS 3 0.612 -10.794 -4.130
12 HA LYS 3 HA LYS 3 -0.718 -8.367 -4.687
13 HB2 LYS 3 HB2 LYS 3 1.557 -8.147 -6.143
14 HB3 LYS 3 HB3 LYS 3 1.456 -7.807 -4.432
15 HG2 LYS 3 HG2 LYS 3 3.403 -9.146 -4.887
16 HG3 LYS 3 HG3 LYS 3 2.255 -10.104 -3.959
17 HD2 LYS 3 HD2 LYS 3 1.648 -11.387 -5.831
18 HD3 LYS 3 HD3 LYS 3 2.373 -10.239 -6.956
19 HE2 LYS 3 HE2 LYS 3 3.830 -12.110 -6.866
20 HE3 LYS 3 HE3 LYS 3 4.606 -10.827 -5.941
21 HZ1 LYS 3 HZ1 LYS 3 3.809 -11.865 -3.905
22 HZ2 LYS 3 HZ2 LYS 3 4.750 -12.948 -4.799
23 HZ3 LYS 3 HZ3 LYS 3 3.066 -13.097 -4.797
24 HA PRO 4 HA PRO 4 -1.715 -9.241 -9.012
25 HB2 PRO 4 HB2 PRO 4 -2.999 -6.884 -9.511
26 HB3 PRO 4 HB3 PRO 4 -3.705 -8.170 -8.519
27 HG2 PRO 4 HG2 PRO 4 -2.826 -5.550 -7.698
28 HG3 PRO 4 HG3 PRO 4 -3.675 -6.781 -6.750
29 HD2 PRO 4 HD2 PRO 4 -0.790 -6.149 -6.845
30 HD3 PRO 4 HD3 PRO 4 -1.720 -6.998 -5.593
31 H ASN 5 H ASN 5 0.561 -7.065 -7.957
32 HA ASN 5 HA ASN 5 2.146 -5.708 -8.777
33 HB2 ASN 5 HB2 ASN 5 2.404 -6.850 -11.451
34 HB3 ASN 5 HB3 ASN 5 3.582 -6.744 -10.153
35 HD21 ASN 5 HD21 ASN 5 3.835 -8.469 -8.752
36 HD22 ASN 5 HD22 ASN 5 3.163 -10.030 -9.065
37 H GLY 6 H GLY 6 -0.463 -4.760 -9.124
38 HA2 GLY 6 HA2 GLY 6 -0.006 -2.549 -10.816
39 HA3 GLY 6 HA3 GLY 6 -1.060 -3.690 -11.635
40 H ALA 7 H ALA 7 -1.081 -3.222 -8.145
41 HA ALA 7 HA ALA 7 -3.855 -2.258 -8.347
42 HB1 ALA 7 HB1 ALA 7 -2.347 -3.799 -6.333
43 HB2 ALA 7 HB2 ALA 7 -4.042 -3.908 -6.807
44 HB3 ALA 7 HB3 ALA 7 -3.515 -2.646 -5.696
45 H LYS 8 H LYS 8 -4.520 -0.630 -6.586
46 HA LYS 8 HA LYS 8 -2.476 1.467 -6.413
47 HB2 LYS 8 HB2 LYS 8 -5.152 1.485 -7.394
48 HB3 LYS 8 HB3 LYS 8 -5.085 2.515 -5.972
49 HG2 LYS 8 HG2 LYS 8 -4.567 4.026 -7.586
50 HG3 LYS 8 HG3 LYS 8 -2.948 3.466 -7.171
51 HD2 LYS 8 HD2 LYS 8 -3.003 1.912 -9.064
52 HD3 LYS 8 HD3 LYS 8 -4.627 2.466 -9.475
53 HE2 LYS 8 HE2 LYS 8 -3.752 4.724 -9.851
54 HE3 LYS 8 HE3 LYS 8 -2.131 4.163 -9.447
55 HZ1 LYS 8 HZ1 LYS 8 -2.220 2.662 -11.340
56 HZ2 LYS 8 HZ2 LYS 8 -2.462 4.261 -11.835
57 HZ3 LYS 8 HZ3 LYS 8 -3.776 3.202 -11.727
58 H CYS 9 H CYS 9 -2.096 2.518 -4.544
59 HA CYS 9 HA CYS 9 -3.404 1.498 -2.094
60 HB2 CYS 9 HB2 CYS 9 -0.650 2.694 -2.490
61 HB3 CYS 9 HB3 CYS 9 -1.326 2.242 -0.934
62 H THR 10 H THR 10 -3.941 2.971 -0.460
63 HA THR 10 HA THR 10 -3.699 5.825 -0.969
64 HB THR 10 HB THR 10 -6.212 6.078 -0.386
65 HG1 THR 10 HG1 THR 10 -5.986 3.376 -0.720
66 HG21 THR 10 HG21 THR 10 -6.826 5.989 -2.762
67 HG22 THR 10 HG22 THR 10 -5.362 5.067 -3.102
68 HG23 THR 10 HG23 THR 10 -5.242 6.730 -2.530
69 H GLU 11 H GLU 11 -4.556 7.116 0.891
70 HA GLU 11 HA GLU 11 -3.351 6.397 3.289
71 HB2 GLU 11 HB2 GLU 11 -5.658 8.324 3.067
72 HB3 GLU 11 HB3 GLU 11 -4.372 8.330 4.264
73 HG2 GLU 11 HG2 GLU 11 -2.772 8.754 2.375
74 HG3 GLU 11 HG3 GLU 11 -4.182 9.006 1.349
75 H ILE 12 H ILE 12 -6.431 5.489 2.121
76 HA ILE 12 HA ILE 12 -7.155 4.406 4.763
77 HB ILE 12 HB ILE 12 -9.495 4.423 3.221
78 HG12 ILE 12 HG12 ILE 12 -9.707 6.995 2.954
79 HG13 ILE 12 HG13 ILE 12 -7.948 6.995 2.925
80 HG21 ILE 12 HG21 ILE 12 -9.376 4.620 5.623
81 HG22 ILE 12 HG22 ILE 12 -10.284 5.975 4.952
82 HG23 ILE 12 HG23 ILE 12 -8.618 6.206 5.482
83 HD11 ILE 12 HD11 ILE 12 -8.820 7.022 0.680
84 HD12 ILE 12 HD12 ILE 12 -9.770 5.570 0.998
85 HD13 ILE 12 HD13 ILE 12 -8.008 5.486 0.984
86 H SER 13 H SER 13 -6.281 3.499 1.590
87 HA SER 13 HA SER 13 -7.300 0.804 2.120
88 HB2 SER 13 HB2 SER 13 -7.487 2.204 -0.553
89 HB3 SER 13 HB3 SER 13 -7.886 0.510 -0.265
90 HG SER 13 HG SER 13 -9.398 2.697 0.130
91 H ILE 14 H ILE 14 -6.139 -0.908 1.361
92 HA ILE 14 HA ILE 14 -3.697 -0.487 -0.132
93 HB ILE 14 HB ILE 14 -2.275 -1.744 1.512
94 HG12 ILE 14 HG12 ILE 14 -3.176 -1.217 3.994
95 HG13 ILE 14 HG13 ILE 14 -4.719 -1.497 3.191
96 HG21 ILE 14 HG21 ILE 14 -3.276 0.947 2.391
97 HG22 ILE 14 HG22 ILE 14 -2.005 0.624 1.211
98 HG23 ILE 14 HG23 ILE 14 -1.764 0.199 2.906
99 HD11 ILE 14 HD11 ILE 14 -2.390 -3.404 3.263
100 HD12 ILE 14 HD12 ILE 14 -3.930 -3.688 2.449
101 HD13 ILE 14 HD13 ILE 14 -3.876 -3.534 4.206
102 HA PRO 15 HA PRO 15 -4.894 -4.564 -1.568
103 HB2 PRO 15 HB2 PRO 15 -2.668 -5.170 -3.009
104 HB3 PRO 15 HB3 PRO 15 -3.843 -3.957 -3.552
105 HG2 PRO 15 HG2 PRO 15 -1.207 -3.563 -2.219
106 HG3 PRO 15 HG3 PRO 15 -1.941 -2.670 -3.567
107 HD2 PRO 15 HD2 PRO 15 -1.942 -1.758 -1.013
108 HD3 PRO 15 HD3 PRO 15 -3.198 -1.355 -2.199
109 HA PRO 16 HA PRO 16 -2.821 -7.553 1.077
110 HB2 PRO 16 HB2 PRO 16 -2.635 -9.722 -0.833
111 HB3 PRO 16 HB3 PRO 16 -3.828 -9.501 0.458
112 HG2 PRO 16 HG2 PRO 16 -4.461 -9.391 -2.180
113 HG3 PRO 16 HG3 PRO 16 -5.345 -8.505 -0.921
114 HD2 PRO 16 HD2 PRO 16 -3.215 -7.511 -2.782
115 HD3 PRO 16 HD3 PRO 16 -4.754 -6.747 -2.321
116 H CYS 17 H CYS 17 -1.441 -8.055 -2.185
117 HA CYS 17 HA CYS 17 0.618 -8.424 -2.962
118 HB2 CYS 17 HB2 CYS 17 1.532 -6.469 -0.852
119 HB3 CYS 17 HB3 CYS 17 2.323 -6.822 -2.384
120 H CYS 18 H CYS 18 1.233 -10.414 -2.738
121 HA CYS 18 HA CYS 18 1.968 -11.657 -0.293
122 HB2 CYS 18 HB2 CYS 18 1.769 -12.429 -3.125
123 HB3 CYS 18 HB3 CYS 18 2.995 -13.302 -2.217
124 H SER 19 H SER 19 3.748 -10.110 -2.882
125 HA SER 19 HA SER 19 6.210 -10.258 -1.294
126 HB2 SER 19 HB2 SER 19 6.129 -11.113 -4.194
127 HB3 SER 19 HB3 SER 19 7.578 -10.976 -3.200
128 HG SER 19 HG SER 19 5.606 -12.530 -2.089
129 H ASN 20 H ASN 20 4.230 -8.605 -3.536
130 HA ASN 20 HA ASN 20 6.206 -6.754 -4.502
131 HB2 ASN 20 HB2 ASN 20 3.196 -6.814 -4.669
132 HB3 ASN 20 HB3 ASN 20 4.155 -5.522 -5.363
133 HD21 ASN 20 HD21 ASN 20 3.401 -6.018 -7.423
134 HD22 ASN 20 HD22 ASN 20 3.974 -7.390 -8.302
135 H PHE 21 H PHE 21 5.046 -4.266 -4.322
136 HA PHE 21 HA PHE 21 5.077 -3.726 -1.428
137 HB2 PHE 21 HB2 PHE 21 6.178 -1.566 -1.944
138 HB3 PHE 21 HB3 PHE 21 7.154 -2.948 -2.399
139 HD1 PHE 21 HD1 PHE 21 8.125 -3.009 -4.484
140 HD2 PHE 21 HD2 PHE 21 4.791 -0.431 -3.867
141 HE1 PHE 21 HE1 PHE 21 8.487 -2.018 -6.703
142 HE2 PHE 21 HE2 PHE 21 5.147 0.555 -6.093
143 HZ PHE 21 HZ PHE 21 6.997 -0.235 -7.510
144 H CYS 22 H CYS 22 3.964 -1.838 -0.703
145 HA CYS 22 HA CYS 22 1.782 -0.980 -2.481
146 HB2 CYS 22 HB2 CYS 22 0.867 -2.356 -0.683
147 HB3 CYS 22 HB3 CYS 22 1.711 -1.391 0.522
148 H LEU 23 H LEU 23 2.231 0.977 -3.137
149 HA LEU 23 HA LEU 23 4.017 2.703 -1.726
150 HB2 LEU 23 HB2 LEU 23 2.635 2.707 -4.341
151 HB3 LEU 23 HB3 LEU 23 3.149 4.260 -3.722
152 HG LEU 23 HG LEU 23 4.951 1.872 -4.208
153 HD11 LEU 23 HD11 LEU 23 5.875 3.383 -6.001
154 HD12 LEU 23 HD12 LEU 23 4.442 4.385 -5.776
155 HD13 LEU 23 HD13 LEU 23 4.275 2.713 -6.302
156 HD21 LEU 23 HD21 LEU 23 6.094 3.035 -2.560
157 HD22 LEU 23 HD22 LEU 23 5.448 4.596 -3.061
158 HD23 LEU 23 HD23 LEU 23 6.704 3.815 -4.018
159 H ARG 24 H ARG 24 2.288 2.419 0.081
160 HA ARG 24 HA ARG 24 0.340 4.605 0.070
161 HB2 ARG 24 HB2 ARG 24 0.035 2.099 0.943
162 HB3 ARG 24 HB3 ARG 24 0.723 2.773 2.407
163 HG2 ARG 24 HG2 ARG 24 -1.668 4.027 1.091
164 HG3 ARG 24 HG3 ARG 24 -1.833 2.656 2.182
165 HD2 ARG 24 HD2 ARG 24 -2.138 4.445 3.609
166 HD3 ARG 24 HD3 ARG 24 -0.421 4.108 3.816
167 HE ARG 24 HE ARG 24 -0.500 5.971 1.830
168 HH11 ARG 24 HH11 ARG 24 -1.749 5.883 5.111
169 HH12 ARG 24 HH12 ARG 24 -1.624 7.598 5.327
170 HH21 ARG 24 HH21 ARG 24 -0.357 8.216 2.133
171 HH22 ARG 24 HH22 ARG 24 -0.838 8.915 3.643
172 H TYR 25 H TYR 25 2.680 5.707 -0.103
173 HA TYR 25 HA TYR 25 4.149 6.089 2.305
174 HB2 TYR 25 HB2 TYR 25 4.748 6.460 -0.274
175 HB3 TYR 25 HB3 TYR 25 4.297 8.112 0.131
176 HD1 TYR 25 HD1 TYR 25 6.697 5.407 0.771
177 HD2 TYR 25 HD2 TYR 25 5.675 9.453 1.596
178 HE1 TYR 25 HE1 TYR 25 8.937 5.773 1.719
179 HE2 TYR 25 HE2 TYR 25 7.910 9.831 2.547
180 HH TYR 25 HH TYR 25 10.473 7.646 2.143
181 H ALA 26 H ALA 26 4.460 8.180 3.396
182 HA ALA 26 HA ALA 26 2.017 9.310 4.281
183 HB1 ALA 26 HB1 ALA 26 3.382 10.758 5.658
184 HB2 ALA 26 HB2 ALA 26 4.816 10.314 4.731
185 HB3 ALA 26 HB3 ALA 26 3.987 9.102 5.708
186 H GLY 27 H GLY 27 4.088 10.119 1.679
187 HA2 GLY 27 HA2 GLY 27 2.903 12.802 1.407
188 HA3 GLY 27 HA3 GLY 27 4.376 12.259 0.618
189 H GLN 28 H GLN 28 2.574 9.661 0.228
190 HA GLN 28 HA GLN 28 1.600 10.498 -2.404
191 HB2 GLN 28 HB2 GLN 28 2.156 7.783 -1.208
192 HB3 GLN 28 HB3 GLN 28 1.359 7.993 -2.760
193 HG2 GLN 28 HG2 GLN 28 3.330 9.165 -3.614
194 HG3 GLN 28 HG3 GLN 28 4.131 8.943 -2.059
195 HE21 GLN 28 HE21 GLN 28 3.032 7.397 -4.970
196 HE22 GLN 28 HE22 GLN 28 3.903 5.921 -4.757
197 H LYS 29 H LYS 29 -0.464 9.950 -3.154
198 HA LYS 29 HA LYS 29 -2.454 9.348 -1.064
199 HB2 LYS 29 HB2 LYS 29 -2.570 11.379 -3.290
200 HB3 LYS 29 HB3 LYS 29 -4.019 10.801 -2.480
201 HG2 LYS 29 HG2 LYS 29 -3.158 11.623 -0.346
202 HG3 LYS 29 HG3 LYS 29 -1.702 12.199 -1.158
203 HD2 LYS 29 HD2 LYS 29 -3.061 13.706 -2.527
204 HD3 LYS 29 HD3 LYS 29 -4.520 13.123 -1.720
205 HE2 LYS 29 HE2 LYS 29 -3.666 13.954 0.418
206 HE3 LYS 29 HE3 LYS 29 -2.210 14.536 -0.389
207 HZ1 LYS 29 HZ1 LYS 29 -3.579 16.031 -1.703
208 HZ2 LYS 29 HZ2 LYS 29 -3.805 16.315 -0.052
209 HZ3 LYS 29 HZ3 LYS 29 -4.977 15.470 -0.932
210 H SER 30 H SER 30 -0.998 8.157 -3.740
211 HA SER 30 HA SER 30 -3.012 6.201 -4.250
212 HB2 SER 30 HB2 SER 30 -2.385 8.186 -6.462
213 HB3 SER 30 HB3 SER 30 -3.225 6.656 -6.708
214 HG SER 30 HG SER 30 -4.566 7.722 -4.820
215 H GLY 31 H GLY 31 -1.317 4.867 -3.580
216 HA2 GLY 31 HA2 GLY 31 1.151 4.816 -5.121
217 HA3 GLY 31 HA3 GLY 31 0.778 3.835 -3.715
218 H THR 32 H THR 32 1.811 2.125 -5.121
219 HA THR 32 HA THR 32 -0.287 0.679 -6.471
220 HB THR 32 HB THR 32 0.494 2.010 -8.343
221 HG1 THR 32 HG1 THR 32 1.083 -0.741 -8.298
222 HG21 THR 32 HG21 THR 32 3.223 1.048 -7.524
223 HG22 THR 32 HG22 THR 32 2.685 2.692 -7.875
224 HG23 THR 32 HG23 THR 32 2.893 1.532 -9.187
225 H CYS 33 H CYS 33 -0.108 -1.425 -6.285
226 HA CYS 33 HA CYS 33 2.148 -2.600 -4.934
227 HB2 CYS 33 HB2 CYS 33 -0.233 -3.359 -4.551
228 HB3 CYS 33 HB3 CYS 33 -0.190 -4.078 -6.152
229 H ALA 34 H ALA 34 3.867 -3.262 -5.879
230 HA ALA 34 HA ALA 34 3.974 -4.430 -8.515
231 HB1 ALA 34 HB1 ALA 34 5.354 -1.819 -7.903
232 HB2 ALA 34 HB2 ALA 34 4.040 -2.063 -9.054
233 HB3 ALA 34 HB3 ALA 34 5.619 -2.791 -9.351
234 H ASN 35 H ASN 35 6.234 -5.191 -9.012
235 HA ASN 35 HA ASN 35 7.411 -6.310 -6.618
236 HB2 ASN 35 HB2 ASN 35 7.942 -6.689 -9.562
237 HB3 ASN 35 HB3 ASN 35 8.984 -7.400 -8.335
238 HD21 ASN 35 HD21 ASN 35 5.933 -7.534 -9.927
239 HD22 ASN 35 HD22 ASN 35 5.380 -9.004 -9.207
240 H ARG 36 H ARG 36 9.477 -6.051 -5.864
241 HA ARG 36 HA ARG 36 10.783 -3.543 -6.643
242 HB2 ARG 36 HB2 ARG 36 10.064 -4.314 -4.194
243 HB3 ARG 36 HB3 ARG 36 11.641 -5.089 -4.241
244 HG2 ARG 36 HG2 ARG 36 12.692 -2.937 -4.710
245 HG3 ARG 36 HG3 ARG 36 11.110 -2.156 -4.677
246 HD2 ARG 36 HD2 ARG 36 10.827 -2.847 -2.343
247 HD3 ARG 36 HD3 ARG 36 12.416 -3.611 -2.379
248 HE ARG 36 HE ARG 36 12.794 -0.977 -3.132
249 HH11 ARG 36 HH11 ARG 36 11.643 -2.648 -0.265
250 HH12 ARG 36 HH12 ARG 36 12.177 -1.403 0.815
251 HH21 ARG 36 HH21 ARG 36 13.218 0.455 0.002
252 HH22 ARG 36 HH22 ARG 36 13.484 0.640 -1.699
Start of MODEL 17
1 H PCA 1 H3 PCA 1 1.208 -13.499 -5.748
2 HA PCA 1 HA PCA 1 0.201 -15.691 -5.435
3 HB2 PCA 1 HB2 PCA 1 0.345 -15.754 -2.581
4 HB3 PCA 1 HB3 PCA 1 1.002 -16.926 -3.746
5 HG2 PCA 1 HG2 PCA 1 2.387 -14.924 -2.239
6 HG3 PCA 1 HG3 PCA 1 3.043 -16.192 -3.289
7 H CYS 2 H CYS 2 0.210 -12.753 -3.595
8 HA CYS 2 HA CYS 2 -2.735 -12.762 -3.537
9 HB2 CYS 2 HB2 CYS 2 -1.233 -11.374 -1.357
10 HB3 CYS 2 HB3 CYS 2 -2.858 -12.046 -1.339
11 H LYS 3 H LYS 3 0.120 -11.191 -4.412
12 HA LYS 3 HA LYS 3 -0.740 -8.483 -4.265
13 HB2 LYS 3 HB2 LYS 3 1.289 -7.922 -5.437
14 HB3 LYS 3 HB3 LYS 3 1.661 -9.156 -4.247
15 HG2 LYS 3 HG2 LYS 3 1.030 -10.072 -6.987
16 HG3 LYS 3 HG3 LYS 3 2.566 -9.253 -6.735
17 HD2 LYS 3 HD2 LYS 3 3.108 -10.855 -4.943
18 HD3 LYS 3 HD3 LYS 3 1.582 -11.686 -5.244
19 HE2 LYS 3 HE2 LYS 3 3.679 -11.302 -7.367
20 HE3 LYS 3 HE3 LYS 3 3.649 -12.704 -6.299
21 HZ1 LYS 3 HZ1 LYS 3 1.467 -11.888 -8.144
22 HZ2 LYS 3 HZ2 LYS 3 1.437 -13.235 -7.121
23 HZ3 LYS 3 HZ3 LYS 3 2.547 -13.166 -8.396
24 HA PRO 4 HA PRO 4 -2.915 -8.421 -8.223
25 HB2 PRO 4 HB2 PRO 4 -3.215 -5.575 -8.121
26 HB3 PRO 4 HB3 PRO 4 -4.396 -6.795 -7.615
27 HG2 PRO 4 HG2 PRO 4 -3.160 -5.041 -5.903
28 HG3 PRO 4 HG3 PRO 4 -3.860 -6.596 -5.422
29 HD2 PRO 4 HD2 PRO 4 -0.998 -5.914 -5.999
30 HD3 PRO 4 HD3 PRO 4 -1.684 -6.899 -4.690
31 H ASN 5 H ASN 5 -0.149 -6.493 -7.525
32 HA ASN 5 HA ASN 5 1.536 -5.550 -8.666
33 HB2 ASN 5 HB2 ASN 5 0.888 -7.298 -11.020
34 HB3 ASN 5 HB3 ASN 5 2.447 -6.644 -10.544
35 HD21 ASN 5 HD21 ASN 5 3.644 -7.666 -9.013
36 HD22 ASN 5 HD22 ASN 5 3.246 -9.221 -8.374
37 H GLY 6 H GLY 6 -1.177 -4.426 -8.997
38 HA2 GLY 6 HA2 GLY 6 -0.539 -2.325 -10.777
39 HA3 GLY 6 HA3 GLY 6 -1.661 -3.432 -11.555
40 H ALA 7 H ALA 7 -1.574 -2.653 -8.111
41 HA ALA 7 HA ALA 7 -4.216 -1.361 -8.419
42 HB1 ALA 7 HB1 ALA 7 -4.914 -2.263 -6.339
43 HB2 ALA 7 HB2 ALA 7 -3.289 -2.840 -5.973
44 HB3 ALA 7 HB3 ALA 7 -4.221 -3.590 -7.271
45 H LYS 8 H LYS 8 -4.665 0.487 -7.248
46 HA LYS 8 HA LYS 8 -2.365 2.036 -6.446
47 HB2 LYS 8 HB2 LYS 8 -5.028 2.556 -7.379
48 HB3 LYS 8 HB3 LYS 8 -4.722 3.475 -5.912
49 HG2 LYS 8 HG2 LYS 8 -2.941 4.639 -6.869
50 HG3 LYS 8 HG3 LYS 8 -2.775 3.478 -8.188
51 HD2 LYS 8 HD2 LYS 8 -4.892 4.194 -9.125
52 HD3 LYS 8 HD3 LYS 8 -5.142 5.299 -7.772
53 HE2 LYS 8 HE2 LYS 8 -3.144 6.554 -8.436
54 HE3 LYS 8 HE3 LYS 8 -2.900 5.449 -9.788
55 HZ1 LYS 8 HZ1 LYS 8 -5.252 7.222 -9.401
56 HZ2 LYS 8 HZ2 LYS 8 -5.028 6.158 -10.697
57 HZ3 LYS 8 HZ3 LYS 8 -3.990 7.479 -10.499
58 H CYS 9 H CYS 9 -1.791 2.686 -4.486
59 HA CYS 9 HA CYS 9 -3.271 1.645 -2.160
60 HB2 CYS 9 HB2 CYS 9 -0.378 2.473 -2.502
61 HB3 CYS 9 HB3 CYS 9 -1.094 2.039 -0.955
62 H THR 10 H THR 10 -4.103 3.020 -0.686
63 HA THR 10 HA THR 10 -3.320 5.846 -0.774
64 HB THR 10 HB THR 10 -5.807 6.401 -0.403
65 HG1 THR 10 HG1 THR 10 -5.917 3.713 -1.235
66 HG21 THR 10 HG21 THR 10 -4.583 7.006 -2.429
67 HG22 THR 10 HG22 THR 10 -6.225 6.500 -2.823
68 HG23 THR 10 HG23 THR 10 -4.874 5.400 -3.099
69 H GLU 11 H GLU 11 -4.277 7.074 1.110
70 HA GLU 11 HA GLU 11 -3.313 6.165 3.515
71 HB2 GLU 11 HB2 GLU 11 -3.860 8.517 2.894
72 HB3 GLU 11 HB3 GLU 11 -5.556 8.150 3.170
73 HG2 GLU 11 HG2 GLU 11 -5.185 7.799 5.488
74 HG3 GLU 11 HG3 GLU 11 -3.436 7.866 5.279
75 H ILE 12 H ILE 12 -6.428 5.516 2.165
76 HA ILE 12 HA ILE 12 -7.214 4.113 4.631
77 HB ILE 12 HB ILE 12 -9.549 4.494 3.104
78 HG12 ILE 12 HG12 ILE 12 -9.602 7.084 3.255
79 HG13 ILE 12 HG13 ILE 12 -7.847 6.981 3.221
80 HG21 ILE 12 HG21 ILE 12 -8.589 5.841 5.619
81 HG22 ILE 12 HG22 ILE 12 -9.438 4.299 5.507
82 HG23 ILE 12 HG23 ILE 12 -10.260 5.794 5.059
83 HD11 ILE 12 HD11 ILE 12 -7.958 5.850 1.060
84 HD12 ILE 12 HD12 ILE 12 -8.747 7.425 1.013
85 HD13 ILE 12 HD13 ILE 12 -9.718 5.955 1.096
86 H SER 13 H SER 13 -6.178 3.496 1.515
87 HA SER 13 HA SER 13 -7.486 0.880 1.574
88 HB2 SER 13 HB2 SER 13 -7.298 2.612 -0.895
89 HB3 SER 13 HB3 SER 13 -7.858 0.940 -0.872
90 HG SER 13 HG SER 13 -9.097 2.688 0.894
91 H ILE 14 H ILE 14 -6.331 -0.831 0.967
92 HA ILE 14 HA ILE 14 -3.824 -0.569 -0.453
93 HB ILE 14 HB ILE 14 -2.505 -1.857 1.237
94 HG12 ILE 14 HG12 ILE 14 -3.478 -1.308 3.695
95 HG13 ILE 14 HG13 ILE 14 -4.992 -1.566 2.833
96 HG21 ILE 14 HG21 ILE 14 -2.147 0.508 0.976
97 HG22 ILE 14 HG22 ILE 14 -1.968 0.046 2.669
98 HG23 ILE 14 HG23 ILE 14 -3.439 0.854 2.127
99 HD11 ILE 14 HD11 ILE 14 -4.216 -3.613 3.881
100 HD12 ILE 14 HD12 ILE 14 -2.697 -3.506 2.990
101 HD13 ILE 14 HD13 ILE 14 -4.210 -3.768 2.124
102 HA PRO 15 HA PRO 15 -5.243 -4.630 -1.765
103 HB2 PRO 15 HB2 PRO 15 -3.107 -5.391 -3.247
104 HB3 PRO 15 HB3 PRO 15 -4.203 -4.105 -3.784
105 HG2 PRO 15 HG2 PRO 15 -1.522 -3.891 -2.509
106 HG3 PRO 15 HG3 PRO 15 -2.209 -2.976 -3.868
107 HD2 PRO 15 HD2 PRO 15 -2.105 -2.015 -1.316
108 HD3 PRO 15 HD3 PRO 15 -3.328 -1.525 -2.504
109 HA PRO 16 HA PRO 16 -3.283 -7.634 0.928
110 HB2 PRO 16 HB2 PRO 16 -2.852 -9.791 -0.968
111 HB3 PRO 16 HB3 PRO 16 -4.133 -9.632 0.244
112 HG2 PRO 16 HG2 PRO 16 -4.607 -9.533 -2.420
113 HG3 PRO 16 HG3 PRO 16 -5.594 -8.673 -1.221
114 HD2 PRO 16 HD2 PRO 16 -3.390 -7.621 -2.952
115 HD3 PRO 16 HD3 PRO 16 -4.976 -6.903 -2.588
116 H CYS 17 H CYS 17 -1.551 -8.139 -2.164
117 HA CYS 17 HA CYS 17 0.609 -8.689 -2.629
118 HB2 CYS 17 HB2 CYS 17 1.445 -6.403 -0.883
119 HB3 CYS 17 HB3 CYS 17 2.075 -6.887 -2.453
120 H CYS 18 H CYS 18 1.121 -10.613 -1.821
121 HA CYS 18 HA CYS 18 1.966 -10.899 0.946
122 HB2 CYS 18 HB2 CYS 18 1.407 -12.820 -1.290
123 HB3 CYS 18 HB3 CYS 18 2.288 -13.351 0.138
124 H SER 19 H SER 19 3.481 -10.177 -2.010
125 HA SER 19 HA SER 19 6.079 -10.877 -0.843
126 HB2 SER 19 HB2 SER 19 5.238 -11.495 -3.674
127 HB3 SER 19 HB3 SER 19 6.900 -11.599 -3.092
128 HG SER 19 HG SER 19 5.890 -13.627 -2.987
129 H ASN 20 H ASN 20 4.299 -8.892 -3.068
130 HA ASN 20 HA ASN 20 6.651 -7.321 -3.702
131 HB2 ASN 20 HB2 ASN 20 3.844 -7.360 -4.773
132 HB3 ASN 20 HB3 ASN 20 5.019 -6.135 -5.253
133 HD21 ASN 20 HD21 ASN 20 3.707 -8.446 -6.667
134 HD22 ASN 20 HD22 ASN 20 5.011 -9.310 -7.397
135 H PHE 21 H PHE 21 5.103 -4.802 -4.109
136 HA PHE 21 HA PHE 21 5.000 -3.997 -1.278
137 HB2 PHE 21 HB2 PHE 21 5.955 -1.838 -1.918
138 HB3 PHE 21 HB3 PHE 21 7.018 -3.154 -2.375
139 HD1 PHE 21 HD1 PHE 21 7.846 -3.276 -4.536
140 HD2 PHE 21 HD2 PHE 21 4.475 -0.792 -3.773
141 HE1 PHE 21 HE1 PHE 21 8.050 -2.319 -6.787
142 HE2 PHE 21 HE2 PHE 21 4.675 0.161 -6.034
143 HZ PHE 21 HZ PHE 21 6.466 -0.594 -7.537
144 H CYS 22 H CYS 22 3.897 -1.978 -0.847
145 HA CYS 22 HA CYS 22 1.695 -1.288 -2.647
146 HB2 CYS 22 HB2 CYS 22 0.646 -2.722 -0.991
147 HB3 CYS 22 HB3 CYS 22 1.458 -1.879 0.322
148 H LEU 23 H LEU 23 2.369 0.666 -3.236
149 HA LEU 23 HA LEU 23 3.986 2.330 -1.597
150 HB2 LEU 23 HB2 LEU 23 2.730 2.629 -4.289
151 HB3 LEU 23 HB3 LEU 23 3.504 4.000 -3.526
152 HG LEU 23 HG LEU 23 4.868 1.373 -4.156
153 HD11 LEU 23 HD11 LEU 23 4.883 4.016 -5.597
154 HD12 LEU 23 HD12 LEU 23 4.289 2.470 -6.199
155 HD13 LEU 23 HD13 LEU 23 6.013 2.701 -5.913
156 HD21 LEU 23 HD21 LEU 23 5.837 3.971 -2.984
157 HD22 LEU 23 HD22 LEU 23 6.931 2.890 -3.844
158 HD23 LEU 23 HD23 LEU 23 6.098 2.329 -2.395
159 H ARG 24 H ARG 24 2.275 2.172 0.142
160 HA ARG 24 HA ARG 24 0.231 4.253 -0.029
161 HB2 ARG 24 HB2 ARG 24 0.048 1.839 1.056
162 HB3 ARG 24 HB3 ARG 24 0.751 2.641 2.446
163 HG2 ARG 24 HG2 ARG 24 -1.701 3.764 1.135
164 HG3 ARG 24 HG3 ARG 24 -1.826 2.408 2.252
165 HD2 ARG 24 HD2 ARG 24 -2.149 4.207 3.657
166 HD3 ARG 24 HD3 ARG 24 -0.421 3.922 3.839
167 HE ARG 24 HE ARG 24 -0.722 5.764 1.786
168 HH11 ARG 24 HH11 ARG 24 -1.391 5.641 5.233
169 HH12 ARG 24 HH12 ARG 24 -1.195 7.348 5.447
170 HH21 ARG 24 HH21 ARG 24 -0.479 7.999 2.092
171 HH22 ARG 24 HH22 ARG 24 -0.680 8.681 3.671
172 H TYR 25 H TYR 25 2.418 5.524 -0.343
173 HA TYR 25 HA TYR 25 3.862 6.233 2.025
174 HB2 TYR 25 HB2 TYR 25 4.005 6.835 -0.840
175 HB3 TYR 25 HB3 TYR 25 4.478 8.179 0.196
176 HD1 TYR 25 HD1 TYR 25 6.468 8.054 1.566
177 HD2 TYR 25 HD2 TYR 25 5.291 4.763 -0.859
178 HE1 TYR 25 HE1 TYR 25 8.688 7.039 1.875
179 HE2 TYR 25 HE2 TYR 25 7.506 3.738 -0.557
180 HH TYR 25 HH TYR 25 9.797 4.435 0.005
181 H ALA 26 H ALA 26 4.053 8.415 2.863
182 HA ALA 26 HA ALA 26 1.477 9.640 3.286
183 HB1 ALA 26 HB1 ALA 26 3.030 9.297 5.137
184 HB2 ALA 26 HB2 ALA 26 2.618 11.000 4.937
185 HB3 ALA 26 HB3 ALA 26 4.176 10.397 4.373
186 H GLY 27 H GLY 27 4.200 10.208 1.273
187 HA2 GLY 27 HA2 GLY 27 3.325 12.963 0.693
188 HA3 GLY 27 HA3 GLY 27 4.914 12.311 0.332
189 H GLN 28 H GLN 28 2.130 10.363 -0.352
190 HA GLN 28 HA GLN 28 2.232 11.092 -3.192
191 HB2 GLN 28 HB2 GLN 28 2.368 8.317 -2.027
192 HB3 GLN 28 HB3 GLN 28 1.900 8.615 -3.694
193 HG2 GLN 28 HG2 GLN 28 4.069 9.692 -4.098
194 HG3 GLN 28 HG3 GLN 28 4.536 9.351 -2.433
195 HE21 GLN 28 HE21 GLN 28 3.928 8.005 -5.578
196 HE22 GLN 28 HE22 GLN 28 4.647 6.462 -5.281
197 H LYS 29 H LYS 29 0.473 9.278 -0.738
198 HA LYS 29 HA LYS 29 -1.721 8.932 -0.276
199 HB2 LYS 29 HB2 LYS 29 -1.992 11.517 -1.810
200 HB3 LYS 29 HB3 LYS 29 -3.369 10.711 -1.073
201 HG2 LYS 29 HG2 LYS 29 -2.306 10.901 1.121
202 HG3 LYS 29 HG3 LYS 29 -0.925 11.711 0.379
203 HD2 LYS 29 HD2 LYS 29 -2.392 13.520 -0.374
204 HD3 LYS 29 HD3 LYS 29 -3.774 12.709 0.364
205 HE2 LYS 29 HE2 LYS 29 -2.716 12.914 2.562
206 HE3 LYS 29 HE3 LYS 29 -1.336 13.723 1.822
207 HZ1 LYS 29 HZ1 LYS 29 -2.871 15.309 2.795
208 HZ2 LYS 29 HZ2 LYS 29 -4.130 14.730 1.826
209 HZ3 LYS 29 HZ3 LYS 29 -2.806 15.506 1.116
210 H SER 30 H SER 30 -0.466 8.126 -3.034
211 HA SER 30 HA SER 30 -2.639 6.564 -3.947
212 HB2 SER 30 HB2 SER 30 -2.826 7.549 -6.258
213 HB3 SER 30 HB3 SER 30 -3.479 8.587 -4.991
214 HG SER 30 HG SER 30 -1.003 8.835 -6.346
215 H GLY 31 H GLY 31 -0.817 5.180 -3.398
216 HA2 GLY 31 HA2 GLY 31 1.402 5.144 -5.305
217 HA3 GLY 31 HA3 GLY 31 1.272 4.199 -3.830
218 H THR 32 H THR 32 1.866 2.265 -4.964
219 HA THR 32 HA THR 32 -0.390 0.914 -6.103
220 HB THR 32 HB THR 32 0.331 2.071 -8.126
221 HG1 THR 32 HG1 THR 32 0.881 -0.715 -8.023
222 HG21 THR 32 HG21 THR 32 3.035 0.860 -7.538
223 HG22 THR 32 HG22 THR 32 2.632 2.562 -7.775
224 HG23 THR 32 HG23 THR 32 2.582 1.445 -9.138
225 H CYS 33 H CYS 33 -0.166 -1.268 -6.300
226 HA CYS 33 HA CYS 33 2.150 -2.481 -4.983
227 HB2 CYS 33 HB2 CYS 33 -0.108 -3.093 -4.124
228 HB3 CYS 33 HB3 CYS 33 -0.514 -3.756 -5.701
229 H ALA 34 H ALA 34 3.651 -3.365 -6.190
230 HA ALA 34 HA ALA 34 3.084 -4.265 -8.901
231 HB1 ALA 34 HB1 ALA 34 4.951 -3.030 -9.785
232 HB2 ALA 34 HB2 ALA 34 5.338 -2.420 -8.178
233 HB3 ALA 34 HB3 ALA 34 3.843 -1.927 -8.969
234 H ASN 35 H ASN 35 6.345 -3.831 -7.816
235 HA ASN 35 HA ASN 35 6.693 -6.480 -6.706
236 HB2 ASN 35 HB2 ASN 35 7.596 -5.823 -9.495
237 HB3 ASN 35 HB3 ASN 35 8.583 -6.889 -8.501
238 HD21 ASN 35 HD21 ASN 35 5.604 -6.512 -10.217
239 HD22 ASN 35 HD22 ASN 35 5.094 -8.159 -10.112
240 H ARG 36 H ARG 36 8.178 -6.376 -5.187
241 HA ARG 36 HA ARG 36 9.982 -4.078 -5.088
242 HB2 ARG 36 HB2 ARG 36 8.425 -5.053 -3.153
243 HB3 ARG 36 HB3 ARG 36 9.833 -6.065 -2.869
244 HG2 ARG 36 HG2 ARG 36 11.220 -4.075 -2.590
245 HG3 ARG 36 HG3 ARG 36 9.813 -3.052 -2.890
246 HD2 ARG 36 HD2 ARG 36 8.710 -3.999 -0.920
247 HD3 ARG 36 HD3 ARG 36 10.119 -5.015 -0.620
248 HE ARG 36 HE ARG 36 10.984 -2.365 -0.733
249 HH11 ARG 36 HH11 ARG 36 8.975 -4.354 1.351
250 HH12 ARG 36 HH12 ARG 36 9.319 -3.419 2.767
251 HH21 ARG 36 HH21 ARG 36 10.702 -1.610 2.644
252 HH22 ARG 36 HH22 ARG 36 11.420 -1.156 1.134
Start of MODEL 18
1 H PCA 1 H3 PCA 1 1.691 -13.828 -2.888
2 HA PCA 1 HA PCA 1 0.477 -15.579 -4.966
3 HB2 PCA 1 HB2 PCA 1 -0.116 -16.204 -2.230
4 HB3 PCA 1 HB3 PCA 1 0.741 -17.191 -3.435
5 HG2 PCA 1 HG2 PCA 1 1.822 -15.671 -1.262
6 HG3 PCA 1 HG3 PCA 1 2.647 -16.767 -2.385
7 H CYS 2 H CYS 2 0.100 -12.834 -2.973
8 HA CYS 2 HA CYS 2 -2.816 -12.908 -3.365
9 HB2 CYS 2 HB2 CYS 2 -3.168 -11.865 -1.204
10 HB3 CYS 2 HB3 CYS 2 -2.259 -13.355 -1.001
11 H LYS 3 H LYS 3 0.027 -11.288 -4.033
12 HA LYS 3 HA LYS 3 -0.863 -8.583 -3.953
13 HB2 LYS 3 HB2 LYS 3 1.158 -8.069 -5.292
14 HB3 LYS 3 HB3 LYS 3 1.533 -9.044 -3.881
15 HG2 LYS 3 HG2 LYS 3 1.018 -10.501 -6.395
16 HG3 LYS 3 HG3 LYS 3 2.503 -9.555 -6.304
17 HD2 LYS 3 HD2 LYS 3 3.125 -10.739 -4.248
18 HD3 LYS 3 HD3 LYS 3 1.642 -11.687 -4.343
19 HE2 LYS 3 HE2 LYS 3 3.336 -13.066 -5.227
20 HE3 LYS 3 HE3 LYS 3 2.440 -12.460 -6.619
21 HZ1 LYS 3 HZ1 LYS 3 5.029 -11.389 -5.626
22 HZ2 LYS 3 HZ2 LYS 3 4.170 -10.801 -6.958
23 HZ3 LYS 3 HZ3 LYS 3 4.820 -12.362 -6.995
24 HA PRO 4 HA PRO 4 -2.937 -8.676 -7.946
25 HB2 PRO 4 HB2 PRO 4 -3.539 -5.940 -7.977
26 HB3 PRO 4 HB3 PRO 4 -4.506 -7.204 -7.201
27 HG2 PRO 4 HG2 PRO 4 -3.151 -5.115 -5.904
28 HG3 PRO 4 HG3 PRO 4 -3.890 -6.533 -5.146
29 HD2 PRO 4 HD2 PRO 4 -1.033 -6.040 -5.849
30 HD3 PRO 4 HD3 PRO 4 -1.729 -6.937 -4.483
31 H ASN 5 H ASN 5 -0.194 -6.679 -7.370
32 HA ASN 5 HA ASN 5 1.221 -5.417 -8.609
33 HB2 ASN 5 HB2 ASN 5 1.510 -6.895 -11.003
34 HB3 ASN 5 HB3 ASN 5 2.561 -6.890 -9.598
35 HD21 ASN 5 HD21 ASN 5 2.560 -8.604 -8.230
36 HD22 ASN 5 HD22 ASN 5 1.701 -10.072 -8.535
37 H GLY 6 H GLY 6 0.415 -3.548 -9.138
38 HA2 GLY 6 HA2 GLY 6 0.117 -2.068 -11.051
39 HA3 GLY 6 HA3 GLY 6 -0.930 -3.293 -11.752
40 H ALA 7 H ALA 7 -1.340 -2.910 -8.386
41 HA ALA 7 HA ALA 7 -3.895 -1.535 -8.835
42 HB1 ALA 7 HB1 ALA 7 -2.959 -2.930 -6.336
43 HB2 ALA 7 HB2 ALA 7 -3.860 -3.717 -7.632
44 HB3 ALA 7 HB3 ALA 7 -4.598 -2.403 -6.718
45 H LYS 8 H LYS 8 -4.552 0.236 -7.529
46 HA LYS 8 HA LYS 8 -2.339 1.945 -6.742
47 HB2 LYS 8 HB2 LYS 8 -5.058 2.319 -7.681
48 HB3 LYS 8 HB3 LYS 8 -4.695 3.342 -6.297
49 HG2 LYS 8 HG2 LYS 8 -2.984 4.456 -7.412
50 HG3 LYS 8 HG3 LYS 8 -2.838 3.195 -8.640
51 HD2 LYS 8 HD2 LYS 8 -4.993 3.804 -9.565
52 HD3 LYS 8 HD3 LYS 8 -5.225 5.006 -8.293
53 HE2 LYS 8 HE2 LYS 8 -3.272 6.239 -9.110
54 HE3 LYS 8 HE3 LYS 8 -3.048 5.038 -10.382
55 HZ1 LYS 8 HZ1 LYS 8 -4.196 6.994 -11.206
56 HZ2 LYS 8 HZ2 LYS 8 -5.423 6.792 -10.059
57 HZ3 LYS 8 HZ3 LYS 8 -5.210 5.640 -11.279
58 H CYS 9 H CYS 9 -2.023 2.862 -4.787
59 HA CYS 9 HA CYS 9 -3.493 1.724 -2.490
60 HB2 CYS 9 HB2 CYS 9 -0.603 2.498 -2.850
61 HB3 CYS 9 HB3 CYS 9 -1.317 2.384 -1.251
62 H THR 10 H THR 10 -4.212 3.115 -0.911
63 HA THR 10 HA THR 10 -3.612 5.969 -1.165
64 HB THR 10 HB THR 10 -6.470 5.357 -0.633
65 HG1 THR 10 HG1 THR 10 -5.178 4.668 -3.002
66 HG21 THR 10 HG21 THR 10 -5.052 7.422 -2.324
67 HG22 THR 10 HG22 THR 10 -5.617 7.653 -0.670
68 HG23 THR 10 HG23 THR 10 -6.779 7.393 -1.971
69 H GLU 11 H GLU 11 -4.506 7.216 0.721
70 HA GLU 11 HA GLU 11 -3.442 6.499 3.109
71 HB2 GLU 11 HB2 GLU 11 -4.416 8.733 2.367
72 HB3 GLU 11 HB3 GLU 11 -5.962 8.131 2.944
73 HG2 GLU 11 HG2 GLU 11 -5.125 7.957 5.183
74 HG3 GLU 11 HG3 GLU 11 -3.497 8.372 4.649
75 H ILE 12 H ILE 12 -6.660 5.697 2.032
76 HA ILE 12 HA ILE 12 -7.030 4.018 4.421
77 HB ILE 12 HB ILE 12 -9.574 4.420 3.282
78 HG12 ILE 12 HG12 ILE 12 -9.715 6.978 3.697
79 HG13 ILE 12 HG13 ILE 12 -7.978 6.977 3.416
80 HG21 ILE 12 HG21 ILE 12 -10.051 5.489 5.437
81 HG22 ILE 12 HG22 ILE 12 -8.320 5.576 5.762
82 HG23 ILE 12 HG23 ILE 12 -9.111 4.007 5.614
83 HD11 ILE 12 HD11 ILE 12 -8.341 6.053 1.186
84 HD12 ILE 12 HD12 ILE 12 -9.200 7.576 1.408
85 HD13 ILE 12 HD13 ILE 12 -10.081 6.050 1.471
86 H SER 13 H SER 13 -6.092 3.601 1.396
87 HA SER 13 HA SER 13 -7.582 1.095 1.105
88 HB2 SER 13 HB2 SER 13 -8.480 2.831 -0.473
89 HB3 SER 13 HB3 SER 13 -6.892 2.871 -1.238
90 HG SER 13 HG SER 13 -8.443 0.513 -0.960
91 H ILE 14 H ILE 14 -6.373 -0.630 0.893
92 HA ILE 14 HA ILE 14 -3.828 -0.551 -0.488
93 HB ILE 14 HB ILE 14 -2.551 -1.680 1.309
94 HG12 ILE 14 HG12 ILE 14 -3.614 -1.037 3.714
95 HG13 ILE 14 HG13 ILE 14 -5.088 -1.393 2.816
96 HG21 ILE 14 HG21 ILE 14 -3.556 1.052 2.045
97 HG22 ILE 14 HG22 ILE 14 -2.217 0.670 0.962
98 HG23 ILE 14 HG23 ILE 14 -2.095 0.294 2.681
99 HD11 ILE 14 HD11 ILE 14 -4.271 -3.360 3.984
100 HD12 ILE 14 HD12 ILE 14 -2.728 -3.234 3.140
101 HD13 ILE 14 HD13 ILE 14 -4.199 -3.593 2.238
102 HA PRO 15 HA PRO 15 -5.375 -4.664 -1.470
103 HB2 PRO 15 HB2 PRO 15 -3.366 -5.513 -3.058
104 HB3 PRO 15 HB3 PRO 15 -4.458 -4.216 -3.575
105 HG2 PRO 15 HG2 PRO 15 -1.707 -4.033 -2.450
106 HG3 PRO 15 HG3 PRO 15 -2.427 -3.173 -3.828
107 HD2 PRO 15 HD2 PRO 15 -2.186 -2.075 -1.338
108 HD3 PRO 15 HD3 PRO 15 -3.451 -1.617 -2.496
109 HA PRO 16 HA PRO 16 -3.241 -7.543 1.247
110 HB2 PRO 16 HB2 PRO 16 -2.700 -9.724 -0.597
111 HB3 PRO 16 HB3 PRO 16 -3.970 -9.608 0.634
112 HG2 PRO 16 HG2 PRO 16 -4.491 -9.610 -2.022
113 HG3 PRO 16 HG3 PRO 16 -5.508 -8.779 -0.830
114 HD2 PRO 16 HD2 PRO 16 -3.416 -7.648 -2.637
115 HD3 PRO 16 HD3 PRO 16 -5.029 -7.011 -2.244
116 H CYS 17 H CYS 17 -1.508 -7.916 -1.858
117 HA CYS 17 HA CYS 17 0.666 -8.252 -2.395
118 HB2 CYS 17 HB2 CYS 17 1.333 -6.148 -0.357
119 HB3 CYS 17 HB3 CYS 17 2.134 -6.477 -1.888
120 H CYS 18 H CYS 18 1.375 -10.218 -1.881
121 HA CYS 18 HA CYS 18 2.194 -10.840 0.840
122 HB2 CYS 18 HB2 CYS 18 1.832 -12.484 -1.647
123 HB3 CYS 18 HB3 CYS 18 2.671 -13.133 -0.244
124 H SER 19 H SER 19 3.585 -10.261 -2.291
125 HA SER 19 HA SER 19 6.269 -10.336 -1.089
126 HB2 SER 19 HB2 SER 19 5.578 -11.341 -3.861
127 HB3 SER 19 HB3 SER 19 7.197 -11.265 -3.167
128 HG SER 19 HG SER 19 5.031 -12.797 -2.149
129 H ASN 20 H ASN 20 3.964 -8.724 -2.985
130 HA ASN 20 HA ASN 20 5.830 -6.934 -4.290
131 HB2 ASN 20 HB2 ASN 20 2.832 -7.185 -4.262
132 HB3 ASN 20 HB3 ASN 20 3.629 -5.809 -5.006
133 HD21 ASN 20 HD21 ASN 20 4.969 -9.056 -5.048
134 HD22 ASN 20 HD22 ASN 20 4.754 -9.324 -6.741
135 H PHE 21 H PHE 21 4.837 -4.480 -4.159
136 HA PHE 21 HA PHE 21 4.851 -3.796 -1.293
137 HB2 PHE 21 HB2 PHE 21 6.044 -1.705 -1.957
138 HB3 PHE 21 HB3 PHE 21 6.969 -3.167 -2.248
139 HD1 PHE 21 HD1 PHE 21 7.885 -3.576 -4.333
140 HD2 PHE 21 HD2 PHE 21 4.821 -0.646 -3.974
141 HE1 PHE 21 HE1 PHE 21 8.336 -2.835 -6.634
142 HE2 PHE 21 HE2 PHE 21 5.266 0.101 -6.278
143 HZ PHE 21 HZ PHE 21 7.027 -0.993 -7.609
144 H CYS 22 H CYS 22 3.733 -1.927 -0.643
145 HA CYS 22 HA CYS 22 1.709 -0.953 -2.548
146 HB2 CYS 22 HB2 CYS 22 0.562 -2.259 -0.878
147 HB3 CYS 22 HB3 CYS 22 1.453 -1.482 0.424
148 H LEU 23 H LEU 23 2.315 0.990 -3.158
149 HA LEU 23 HA LEU 23 4.074 2.613 -1.593
150 HB2 LEU 23 HB2 LEU 23 2.816 2.858 -4.287
151 HB3 LEU 23 HB3 LEU 23 3.608 4.244 -3.572
152 HG LEU 23 HG LEU 23 4.893 1.578 -4.203
153 HD11 LEU 23 HD11 LEU 23 6.175 2.927 -5.841
154 HD12 LEU 23 HD12 LEU 23 5.126 4.298 -5.477
155 HD13 LEU 23 HD13 LEU 23 4.450 2.837 -6.192
156 HD21 LEU 23 HD21 LEU 23 5.901 3.998 -2.750
157 HD22 LEU 23 HD22 LEU 23 7.011 3.066 -3.753
158 HD23 LEU 23 HD23 LEU 23 6.177 2.289 -2.408
159 H ARG 24 H ARG 24 2.116 2.342 0.010
160 HA ARG 24 HA ARG 24 0.289 4.618 -0.100
161 HB2 ARG 24 HB2 ARG 24 -0.161 2.129 0.736
162 HB3 ARG 24 HB3 ARG 24 0.468 2.758 2.246
163 HG2 ARG 24 HG2 ARG 24 -1.777 4.164 0.837
164 HG3 ARG 24 HG3 ARG 24 -2.089 2.744 1.826
165 HD2 ARG 24 HD2 ARG 24 -2.409 4.452 3.341
166 HD3 ARG 24 HD3 ARG 24 -0.728 4.021 3.640
167 HE ARG 24 HE ARG 24 -0.609 6.007 1.765
168 HH11 ARG 24 HH11 ARG 24 -1.997 5.760 4.982
169 HH12 ARG 24 HH12 ARG 24 -1.794 7.446 5.325
170 HH21 ARG 24 HH21 ARG 24 -0.364 8.216 2.233
171 HH22 ARG 24 HH22 ARG 24 -0.871 8.833 3.771
172 H TYR 25 H TYR 25 2.659 5.645 -0.124
173 HA TYR 25 HA TYR 25 4.050 5.979 2.316
174 HB2 TYR 25 HB2 TYR 25 4.611 6.503 -0.282
175 HB3 TYR 25 HB3 TYR 25 4.269 8.129 0.302
176 HD1 TYR 25 HD1 TYR 25 6.512 5.237 0.593
177 HD2 TYR 25 HD2 TYR 25 5.747 9.220 1.877
178 HE1 TYR 25 HE1 TYR 25 8.786 5.369 1.521
179 HE2 TYR 25 HE2 TYR 25 8.017 9.362 2.809
180 HH TYR 25 HH TYR 25 9.776 7.849 3.614
181 H ALA 26 H ALA 26 4.313 7.973 3.542
182 HA ALA 26 HA ALA 26 1.831 9.120 4.330
183 HB1 ALA 26 HB1 ALA 26 3.125 10.386 5.939
184 HB2 ALA 26 HB2 ALA 26 4.617 9.940 5.109
185 HB3 ALA 26 HB3 ALA 26 3.647 8.702 5.907
186 H GLY 27 H GLY 27 4.274 10.084 2.099
187 HA2 GLY 27 HA2 GLY 27 3.196 12.812 1.908
188 HA3 GLY 27 HA3 GLY 27 4.720 12.265 1.229
189 H GLN 28 H GLN 28 2.389 9.955 0.646
190 HA GLN 28 HA GLN 28 1.661 11.108 -1.967
191 HB2 GLN 28 HB2 GLN 28 2.613 8.308 -1.356
192 HB3 GLN 28 HB3 GLN 28 1.775 8.725 -2.844
193 HG2 GLN 28 HG2 GLN 28 3.550 10.318 -3.394
194 HG3 GLN 28 HG3 GLN 28 4.392 9.887 -1.906
195 HE21 GLN 28 HE21 GLN 28 3.490 8.853 -5.098
196 HE22 GLN 28 HE22 GLN 28 4.565 7.503 -5.185
197 H LYS 29 H LYS 29 -0.308 10.368 -2.876
198 HA LYS 29 HA LYS 29 -2.155 9.076 -0.980
199 HB2 LYS 29 HB2 LYS 29 -2.594 11.535 -2.671
200 HB3 LYS 29 HB3 LYS 29 -3.938 10.586 -2.052
201 HG2 LYS 29 HG2 LYS 29 -3.156 10.980 0.237
202 HG3 LYS 29 HG3 LYS 29 -1.823 11.949 -0.395
203 HD2 LYS 29 HD2 LYS 29 -3.423 13.516 -1.376
204 HD3 LYS 29 HD3 LYS 29 -4.759 12.543 -0.760
205 HE2 LYS 29 HE2 LYS 29 -3.994 12.951 1.531
206 HE3 LYS 29 HE3 LYS 29 -2.663 13.928 0.910
207 HZ1 LYS 29 HZ1 LYS 29 -4.501 15.308 1.642
208 HZ2 LYS 29 HZ2 LYS 29 -5.552 14.528 0.572
209 HZ3 LYS 29 HZ3 LYS 29 -4.278 15.464 -0.027
210 H SER 30 H SER 30 -0.545 8.278 -3.510
211 HA SER 30 HA SER 30 -2.557 6.566 -4.622
212 HB2 SER 30 HB2 SER 30 -2.212 7.316 -6.999
213 HB3 SER 30 HB3 SER 30 -3.070 8.490 -6.001
214 HG SER 30 HG SER 30 -0.399 8.556 -6.912
215 H GLY 31 H GLY 31 -1.153 4.991 -3.823
216 HA2 GLY 31 HA2 GLY 31 1.513 4.794 -5.019
217 HA3 GLY 31 HA3 GLY 31 0.902 3.830 -3.685
218 H THR 32 H THR 32 1.938 2.060 -5.072
219 HA THR 32 HA THR 32 -0.166 0.819 -6.595
220 HB THR 32 HB THR 32 0.720 2.085 -8.419
221 HG1 THR 32 HG1 THR 32 1.330 -0.650 -8.351
222 HG21 THR 32 HG21 THR 32 3.168 1.716 -9.121
223 HG22 THR 32 HG22 THR 32 3.426 1.178 -7.461
224 HG23 THR 32 HG23 THR 32 2.856 2.817 -7.780
225 H CYS 33 H CYS 33 -0.236 -1.165 -5.821
226 HA CYS 33 HA CYS 33 2.018 -2.491 -4.697
227 HB2 CYS 33 HB2 CYS 33 -0.300 -3.012 -3.963
228 HB3 CYS 33 HB3 CYS 33 -0.603 -3.774 -5.521
229 H ALA 34 H ALA 34 3.620 -3.134 -5.789
230 HA ALA 34 HA ALA 34 3.356 -4.599 -8.300
231 HB1 ALA 34 HB1 ALA 34 5.051 -2.139 -7.895
232 HB2 ALA 34 HB2 ALA 34 3.693 -2.319 -9.003
233 HB3 ALA 34 HB3 ALA 34 5.183 -3.222 -9.281
234 H ASN 35 H ASN 35 5.460 -5.641 -8.894
235 HA ASN 35 HA ASN 35 6.758 -6.611 -6.456
236 HB2 ASN 35 HB2 ASN 35 7.673 -8.416 -8.057
237 HB3 ASN 35 HB3 ASN 35 5.968 -8.469 -7.644
238 HD21 ASN 35 HD21 ASN 35 4.541 -8.566 -9.247
239 HD22 ASN 35 HD22 ASN 35 4.888 -8.298 -10.917
240 H ARG 36 H ARG 36 8.840 -6.375 -6.005
241 HA ARG 36 HA ARG 36 10.438 -4.705 -7.811
242 HB2 ARG 36 HB2 ARG 36 9.944 -4.294 -5.223
243 HB3 ARG 36 HB3 ARG 36 11.342 -5.343 -5.041
244 HG2 ARG 36 HG2 ARG 36 12.676 -3.821 -6.396
245 HG3 ARG 36 HG3 ARG 36 11.271 -2.775 -6.614
246 HD2 ARG 36 HD2 ARG 36 11.179 -2.411 -4.190
247 HD3 ARG 36 HD3 ARG 36 12.593 -3.445 -3.985
248 HE ARG 36 HE ARG 36 13.327 -1.471 -5.774
249 HH11 ARG 36 HH11 ARG 36 12.269 -1.576 -2.427
250 HH12 ARG 36 HH12 ARG 36 13.143 -0.147 -1.985
251 HH21 ARG 36 HH21 ARG 36 14.382 0.968 -3.540
252 HH22 ARG 36 HH22 ARG 36 14.463 0.399 -5.173
Start of MODEL 19
1 H PCA 1 H3 PCA 1 1.726 -13.196 -4.419
2 HA PCA 1 HA PCA 1 0.708 -15.340 -5.010
3 HB2 PCA 1 HB2 PCA 1 0.011 -16.100 -2.333
4 HB3 PCA 1 HB3 PCA 1 0.957 -17.008 -3.535
5 HG2 PCA 1 HG2 PCA 1 1.884 -15.552 -1.251
6 HG3 PCA 1 HG3 PCA 1 2.796 -16.574 -2.376
7 H CYS 2 H CYS 2 0.169 -12.696 -2.918
8 HA CYS 2 HA CYS 2 -2.727 -12.849 -3.417
9 HB2 CYS 2 HB2 CYS 2 -3.177 -11.857 -1.253
10 HB3 CYS 2 HB3 CYS 2 -2.208 -13.309 -1.042
11 H LYS 3 H LYS 3 0.052 -11.162 -4.064
12 HA LYS 3 HA LYS 3 -0.965 -8.484 -4.001
13 HB2 LYS 3 HB2 LYS 3 1.205 -8.453 -5.761
14 HB3 LYS 3 HB3 LYS 3 1.230 -8.024 -4.068
15 HG2 LYS 3 HG2 LYS 3 2.988 -9.540 -4.347
16 HG3 LYS 3 HG3 LYS 3 1.698 -10.483 -3.602
17 HD2 LYS 3 HD2 LYS 3 1.186 -11.576 -5.625
18 HD3 LYS 3 HD3 LYS 3 2.088 -10.402 -6.584
19 HE2 LYS 3 HE2 LYS 3 4.175 -11.220 -5.708
20 HE3 LYS 3 HE3 LYS 3 3.331 -12.299 -4.597
21 HZ1 LYS 3 HZ1 LYS 3 3.271 -12.469 -7.563
22 HZ2 LYS 3 HZ2 LYS 3 2.454 -13.503 -6.503
23 HZ3 LYS 3 HZ3 LYS 3 4.146 -13.486 -6.532
24 HA PRO 4 HA PRO 4 -2.775 -8.693 -8.100
25 HB2 PRO 4 HB2 PRO 4 -3.353 -5.928 -8.202
26 HB3 PRO 4 HB3 PRO 4 -4.394 -7.194 -7.532
27 HG2 PRO 4 HG2 PRO 4 -3.230 -5.139 -6.071
28 HG3 PRO 4 HG3 PRO 4 -3.897 -6.637 -5.402
29 HD2 PRO 4 HD2 PRO 4 -1.047 -5.955 -6.030
30 HD3 PRO 4 HD3 PRO 4 -1.719 -6.832 -4.638
31 H ASN 5 H ASN 5 -0.061 -6.692 -7.443
32 HA ASN 5 HA ASN 5 1.402 -5.450 -8.647
33 HB2 ASN 5 HB2 ASN 5 1.874 -6.966 -10.960
34 HB3 ASN 5 HB3 ASN 5 2.776 -7.008 -9.455
35 HD21 ASN 5 HD21 ASN 5 2.426 -8.680 -8.004
36 HD22 ASN 5 HD22 ASN 5 1.610 -10.136 -8.455
37 H GLY 6 H GLY 6 0.411 -3.635 -9.172
38 HA2 GLY 6 HA2 GLY 6 0.249 -2.194 -11.177
39 HA3 GLY 6 HA3 GLY 6 -0.774 -3.444 -11.872
40 H ALA 7 H ALA 7 -1.247 -2.950 -8.526
41 HA ALA 7 HA ALA 7 -3.826 -1.657 -9.047
42 HB1 ALA 7 HB1 ALA 7 -2.787 -3.000 -6.553
43 HB2 ALA 7 HB2 ALA 7 -3.848 -3.730 -7.760
44 HB3 ALA 7 HB3 ALA 7 -4.420 -2.378 -6.785
45 H LYS 8 H LYS 8 -4.543 -0.167 -7.086
46 HA LYS 8 HA LYS 8 -2.364 1.756 -6.636
47 HB2 LYS 8 HB2 LYS 8 -5.121 2.050 -7.530
48 HB3 LYS 8 HB3 LYS 8 -4.709 3.138 -6.212
49 HG2 LYS 8 HG2 LYS 8 -3.218 4.316 -7.465
50 HG3 LYS 8 HG3 LYS 8 -2.810 2.930 -8.482
51 HD2 LYS 8 HD2 LYS 8 -4.901 3.113 -9.658
52 HD3 LYS 8 HD3 LYS 8 -5.444 4.393 -8.571
53 HE2 LYS 8 HE2 LYS 8 -3.628 5.832 -9.367
54 HE3 LYS 8 HE3 LYS 8 -3.087 4.551 -10.450
55 HZ1 LYS 8 HZ1 LYS 8 -5.726 5.912 -10.564
56 HZ2 LYS 8 HZ2 LYS 8 -5.207 4.685 -11.604
57 HZ3 LYS 8 HZ3 LYS 8 -4.427 6.185 -11.615
58 H CYS 9 H CYS 9 -2.092 2.743 -4.722
59 HA CYS 9 HA CYS 9 -3.516 1.639 -2.367
60 HB2 CYS 9 HB2 CYS 9 -0.661 2.577 -2.733
61 HB3 CYS 9 HB3 CYS 9 -1.378 2.309 -1.152
62 H THR 10 H THR 10 -4.026 3.096 -0.690
63 HA THR 10 HA THR 10 -3.552 5.939 -1.087
64 HB THR 10 HB THR 10 -6.064 6.360 -0.596
65 HG1 THR 10 HG1 THR 10 -6.017 3.660 -1.063
66 HG21 THR 10 HG21 THR 10 -5.169 5.392 -3.314
67 HG22 THR 10 HG22 THR 10 -4.952 7.018 -2.669
68 HG23 THR 10 HG23 THR 10 -6.575 6.409 -2.997
69 H GLU 11 H GLU 11 -4.381 7.237 0.765
70 HA GLU 11 HA GLU 11 -3.343 6.420 3.182
71 HB2 GLU 11 HB2 GLU 11 -3.809 8.755 2.497
72 HB3 GLU 11 HB3 GLU 11 -5.522 8.467 2.757
73 HG2 GLU 11 HG2 GLU 11 -5.214 8.218 5.091
74 HG3 GLU 11 HG3 GLU 11 -3.460 8.179 4.920
75 H ILE 12 H ILE 12 -6.467 5.716 1.923
76 HA ILE 12 HA ILE 12 -7.261 4.520 4.488
77 HB ILE 12 HB ILE 12 -9.590 4.785 2.920
78 HG12 ILE 12 HG12 ILE 12 -9.633 7.386 2.908
79 HG13 ILE 12 HG13 ILE 12 -7.878 7.268 2.878
80 HG21 ILE 12 HG21 ILE 12 -9.500 4.750 5.329
81 HG22 ILE 12 HG22 ILE 12 -10.312 6.216 4.778
82 HG23 ILE 12 HG23 ILE 12 -8.645 6.292 5.348
83 HD11 ILE 12 HD11 ILE 12 -8.780 7.574 0.648
84 HD12 ILE 12 HD12 ILE 12 -9.760 6.120 0.828
85 HD13 ILE 12 HD13 ILE 12 -8.001 5.998 0.795
86 H SER 13 H SER 13 -6.299 3.687 1.357
87 HA SER 13 HA SER 13 -7.548 1.061 1.689
88 HB2 SER 13 HB2 SER 13 -8.861 2.402 0.016
89 HB3 SER 13 HB3 SER 13 -7.418 2.439 -0.996
90 HG SER 13 HG SER 13 -8.079 0.586 -1.713
91 H ILE 14 H ILE 14 -6.423 -0.681 1.064
92 HA ILE 14 HA ILE 14 -3.940 -0.456 -0.392
93 HB ILE 14 HB ILE 14 -2.588 -1.676 1.319
94 HG12 ILE 14 HG12 ILE 14 -3.530 -1.047 3.772
95 HG13 ILE 14 HG13 ILE 14 -5.053 -1.348 2.940
96 HG21 ILE 14 HG21 ILE 14 -2.032 0.276 2.668
97 HG22 ILE 14 HG22 ILE 14 -3.524 1.056 2.137
98 HG23 ILE 14 HG23 ILE 14 -2.258 0.683 0.966
99 HD11 ILE 14 HD11 ILE 14 -4.264 -3.566 2.298
100 HD12 ILE 14 HD12 ILE 14 -4.241 -3.350 4.048
101 HD13 ILE 14 HD13 ILE 14 -2.738 -3.262 3.129
102 HA PRO 15 HA PRO 15 -5.359 -4.551 -1.593
103 HB2 PRO 15 HB2 PRO 15 -3.212 -5.309 -3.076
104 HB3 PRO 15 HB3 PRO 15 -4.347 -4.067 -3.637
105 HG2 PRO 15 HG2 PRO 15 -1.668 -3.743 -2.378
106 HG3 PRO 15 HG3 PRO 15 -2.378 -2.894 -3.768
107 HD2 PRO 15 HD2 PRO 15 -2.290 -1.830 -1.276
108 HD3 PRO 15 HD3 PRO 15 -3.561 -1.447 -2.455
109 HA PRO 16 HA PRO 16 -3.338 -7.496 1.139
110 HB2 PRO 16 HB2 PRO 16 -2.839 -9.651 -0.756
111 HB3 PRO 16 HB3 PRO 16 -4.103 -9.538 0.480
112 HG2 PRO 16 HG2 PRO 16 -4.642 -9.471 -2.164
113 HG3 PRO 16 HG3 PRO 16 -5.622 -8.617 -0.954
114 HD2 PRO 16 HD2 PRO 16 -3.477 -7.537 -2.743
115 HD3 PRO 16 HD3 PRO 16 -5.075 -6.854 -2.365
116 H CYS 17 H CYS 17 -1.591 -8.065 -1.935
117 HA CYS 17 HA CYS 17 0.580 -8.435 -2.432
118 HB2 CYS 17 HB2 CYS 17 1.282 -6.184 -0.572
119 HB3 CYS 17 HB3 CYS 17 2.013 -6.601 -2.117
120 H CYS 18 H CYS 18 1.357 -10.296 -1.825
121 HA CYS 18 HA CYS 18 2.182 -10.734 0.940
122 HB2 CYS 18 HB2 CYS 18 1.793 -12.581 -1.406
123 HB3 CYS 18 HB3 CYS 18 2.556 -13.113 0.087
124 H SER 19 H SER 19 3.508 -10.117 -2.180
125 HA SER 19 HA SER 19 6.215 -10.335 -1.053
126 HB2 SER 19 HB2 SER 19 5.490 -11.302 -3.825
127 HB3 SER 19 HB3 SER 19 7.100 -11.312 -3.106
128 HG SER 19 HG SER 19 5.115 -13.119 -2.860
129 H ASN 20 H ASN 20 3.966 -8.726 -3.084
130 HA ASN 20 HA ASN 20 5.904 -6.972 -4.317
131 HB2 ASN 20 HB2 ASN 20 2.892 -7.057 -4.368
132 HB3 ASN 20 HB3 ASN 20 3.820 -5.813 -5.185
133 HD21 ASN 20 HD21 ASN 20 3.040 -6.433 -7.192
134 HD22 ASN 20 HD22 ASN 20 3.573 -7.872 -7.986
135 H PHE 21 H PHE 21 4.862 -4.475 -4.232
136 HA PHE 21 HA PHE 21 4.885 -3.801 -1.365
137 HB2 PHE 21 HB2 PHE 21 6.115 -1.751 -1.940
138 HB3 PHE 21 HB3 PHE 21 7.002 -3.192 -2.402
139 HD1 PHE 21 HD1 PHE 21 7.825 -3.416 -4.556
140 HD2 PHE 21 HD2 PHE 21 4.823 -0.495 -3.796
141 HE1 PHE 21 HE1 PHE 21 8.200 -2.459 -6.789
142 HE2 PHE 21 HE2 PHE 21 5.192 0.463 -6.033
143 HZ PHE 21 HZ PHE 21 6.883 -0.516 -7.529
144 H CYS 22 H CYS 22 3.757 -1.957 -0.687
145 HA CYS 22 HA CYS 22 1.702 -0.982 -2.560
146 HB2 CYS 22 HB2 CYS 22 0.604 -2.334 -0.880
147 HB3 CYS 22 HB3 CYS 22 1.476 -1.522 0.414
148 H LEU 23 H LEU 23 2.244 0.987 -3.142
149 HA LEU 23 HA LEU 23 4.015 2.607 -1.588
150 HB2 LEU 23 HB2 LEU 23 2.733 2.809 -4.261
151 HB3 LEU 23 HB3 LEU 23 3.387 4.265 -3.548
152 HG LEU 23 HG LEU 23 4.943 1.731 -4.119
153 HD11 LEU 23 HD11 LEU 23 4.409 2.753 -6.176
154 HD12 LEU 23 HD12 LEU 23 6.067 3.220 -5.805
155 HD13 LEU 23 HD13 LEU 23 4.749 4.365 -5.552
156 HD21 LEU 23 HD21 LEU 23 6.897 3.407 -3.765
157 HD22 LEU 23 HD22 LEU 23 6.113 2.711 -2.349
158 HD23 LEU 23 HD23 LEU 23 5.712 4.351 -2.862
159 H ARG 24 H ARG 24 2.191 2.340 0.116
160 HA ARG 24 HA ARG 24 0.310 4.580 0.064
161 HB2 ARG 24 HB2 ARG 24 -0.103 2.079 0.886
162 HB3 ARG 24 HB3 ARG 24 0.562 2.699 2.385
163 HG2 ARG 24 HG2 ARG 24 -1.736 4.081 1.034
164 HG3 ARG 24 HG3 ARG 24 -1.998 2.670 2.052
165 HD2 ARG 24 HD2 ARG 24 -2.292 4.401 3.550
166 HD3 ARG 24 HD3 ARG 24 -0.600 3.988 3.805
167 HE ARG 24 HE ARG 24 -0.566 5.950 1.895
168 HH11 ARG 24 HH11 ARG 24 -1.808 5.733 5.173
169 HH12 ARG 24 HH12 ARG 24 -1.598 7.423 5.487
170 HH21 ARG 24 HH21 ARG 24 -0.311 8.164 2.327
171 HH22 ARG 24 HH22 ARG 24 -0.752 8.797 3.877
172 H TYR 25 H TYR 25 2.692 5.610 -0.007
173 HA TYR 25 HA TYR 25 4.065 5.941 2.458
174 HB2 TYR 25 HB2 TYR 25 4.295 6.981 -0.287
175 HB3 TYR 25 HB3 TYR 25 4.905 8.053 0.968
176 HD1 TYR 25 HD1 TYR 25 5.302 4.750 -0.615
177 HD2 TYR 25 HD2 TYR 25 6.900 7.524 2.187
178 HE1 TYR 25 HE1 TYR 25 7.390 3.453 -0.530
179 HE2 TYR 25 HE2 TYR 25 8.993 6.235 2.280
180 HH TYR 25 HH TYR 25 9.755 3.804 0.040
181 H ALA 26 H ALA 26 4.401 8.007 3.573
182 HA ALA 26 HA ALA 26 1.961 9.214 4.367
183 HB1 ALA 26 HB1 ALA 26 4.775 10.083 4.971
184 HB2 ALA 26 HB2 ALA 26 3.846 8.894 5.884
185 HB3 ALA 26 HB3 ALA 26 3.320 10.577 5.836
186 H GLY 27 H GLY 27 4.287 10.023 1.961
187 HA2 GLY 27 HA2 GLY 27 3.242 12.751 1.665
188 HA3 GLY 27 HA3 GLY 27 4.695 12.121 0.907
189 H GLN 28 H GLN 28 2.776 9.656 0.379
190 HA GLN 28 HA GLN 28 1.876 10.655 -2.228
191 HB2 GLN 28 HB2 GLN 28 2.345 7.857 -1.188
192 HB3 GLN 28 HB3 GLN 28 1.608 8.192 -2.748
193 HG2 GLN 28 HG2 GLN 28 3.635 9.349 -3.464
194 HG3 GLN 28 HG3 GLN 28 4.374 9.029 -1.896
195 HE21 GLN 28 HE21 GLN 28 3.355 7.665 -4.923
196 HE22 GLN 28 HE22 GLN 28 4.186 6.160 -4.759
197 H LYS 29 H LYS 29 -0.189 10.150 -3.038
198 HA LYS 29 HA LYS 29 -2.214 9.477 -1.006
199 HB2 LYS 29 HB2 LYS 29 -2.260 11.636 -3.110
200 HB3 LYS 29 HB3 LYS 29 -3.737 11.029 -2.376
201 HG2 LYS 29 HG2 LYS 29 -2.916 11.702 -0.171
202 HG3 LYS 29 HG3 LYS 29 -1.439 12.318 -0.915
203 HD2 LYS 29 HD2 LYS 29 -2.753 13.921 -2.210
204 HD3 LYS 29 HD3 LYS 29 -4.236 13.296 -1.490
205 HE2 LYS 29 HE2 LYS 29 -1.984 14.443 0.143
206 HE3 LYS 29 HE3 LYS 29 -3.303 15.428 -0.486
207 HZ1 LYS 29 HZ1 LYS 29 -3.599 13.106 1.344
208 HZ2 LYS 29 HZ2 LYS 29 -4.867 14.048 0.740
209 HZ3 LYS 29 HZ3 LYS 29 -3.728 14.734 1.785
210 H SER 30 H SER 30 -0.722 8.264 -3.576
211 HA SER 30 HA SER 30 -2.776 6.435 -4.266
212 HB2 SER 30 HB2 SER 30 -2.857 6.978 -6.724
213 HB3 SER 30 HB3 SER 30 -3.629 8.190 -5.705
214 HG SER 30 HG SER 30 -0.964 8.371 -6.664
215 H GLY 31 H GLY 31 -1.193 4.990 -3.610
216 HA2 GLY 31 HA2 GLY 31 1.340 4.890 -5.050
217 HA3 GLY 31 HA3 GLY 31 0.876 3.891 -3.683
218 H THR 32 H THR 32 1.868 2.158 -5.083
219 HA THR 32 HA THR 32 -0.247 0.854 -6.547
220 HB THR 32 HB THR 32 0.647 2.138 -8.379
221 HG1 THR 32 HG1 THR 32 1.230 -0.616 -8.326
222 HG21 THR 32 HG21 THR 32 2.819 2.796 -7.772
223 HG22 THR 32 HG22 THR 32 3.072 1.679 -9.114
224 HG23 THR 32 HG23 THR 32 3.333 1.137 -7.457
225 H CYS 33 H CYS 33 -0.271 -1.185 -5.981
226 HA CYS 33 HA CYS 33 1.985 -2.441 -4.743
227 HB2 CYS 33 HB2 CYS 33 -0.304 -3.026 -4.040
228 HB3 CYS 33 HB3 CYS 33 -0.611 -3.735 -5.621
229 H ALA 34 H ALA 34 3.628 -3.010 -5.818
230 HA ALA 34 HA ALA 34 3.427 -4.425 -8.374
231 HB1 ALA 34 HB1 ALA 34 3.835 -2.102 -8.922
232 HB2 ALA 34 HB2 ALA 34 5.283 -3.056 -9.252
233 HB3 ALA 34 HB3 ALA 34 5.197 -2.054 -7.803
234 H ASN 35 H ASN 35 5.447 -5.559 -8.913
235 HA ASN 35 HA ASN 35 6.603 -6.690 -6.488
236 HB2 ASN 35 HB2 ASN 35 7.549 -8.422 -8.157
237 HB3 ASN 35 HB3 ASN 35 5.826 -8.443 -7.818
238 HD21 ASN 35 HD21 ASN 35 4.476 -8.419 -9.484
239 HD22 ASN 35 HD22 ASN 35 4.899 -8.048 -11.119
240 H ARG 36 H ARG 36 8.669 -6.686 -5.938
241 HA ARG 36 HA ARG 36 10.395 -4.722 -7.126
242 HB2 ARG 36 HB2 ARG 36 11.976 -5.401 -5.286
243 HB3 ARG 36 HB3 ARG 36 10.410 -4.828 -4.746
244 HG2 ARG 36 HG2 ARG 36 9.699 -7.139 -4.352
245 HG3 ARG 36 HG3 ARG 36 11.274 -7.714 -4.898
246 HD2 ARG 36 HD2 ARG 36 12.351 -6.483 -3.077
247 HD3 ARG 36 HD3 ARG 36 10.776 -5.908 -2.533
248 HE ARG 36 HE ARG 36 10.713 -8.705 -2.625
249 HH11 ARG 36 HH11 ARG 36 12.271 -6.174 -0.753
250 HH12 ARG 36 HH12 ARG 36 12.403 -7.151 0.672
251 HH21 ARG 36 HH21 ARG 36 11.625 -9.294 0.672
252 HH22 ARG 36 HH22 ARG 36 10.896 -9.964 -0.749
Start of MODEL 20
1 H PCA 1 H3 PCA 1 -0.400 -14.177 -6.169
2 HA PCA 1 HA PCA 1 -1.119 -16.168 -4.960
3 HB2 PCA 1 HB2 PCA 1 0.170 -15.707 -2.493
4 HB3 PCA 1 HB3 PCA 1 0.462 -17.050 -3.625
5 HG2 PCA 1 HG2 PCA 1 2.003 -14.617 -3.184
6 HG3 PCA 1 HG3 PCA 1 2.485 -16.150 -3.937
7 H CYS 2 H CYS 2 -0.232 -12.998 -3.756
8 HA CYS 2 HA CYS 2 -2.960 -12.593 -2.777
9 HB2 CYS 2 HB2 CYS 2 -0.722 -11.505 -1.121
10 HB3 CYS 2 HB3 CYS 2 -2.361 -11.929 -0.642
11 H LYS 3 H LYS 3 -0.027 -11.302 -4.088
12 HA LYS 3 HA LYS 3 -0.869 -8.552 -3.982
13 HB2 LYS 3 HB2 LYS 3 1.163 -8.049 -5.277
14 HB3 LYS 3 HB3 LYS 3 1.524 -9.012 -3.857
15 HG2 LYS 3 HG2 LYS 3 1.066 -10.478 -6.380
16 HG3 LYS 3 HG3 LYS 3 2.539 -9.518 -6.264
17 HD2 LYS 3 HD2 LYS 3 2.952 -10.709 -4.047
18 HD3 LYS 3 HD3 LYS 3 1.665 -11.819 -4.529
19 HE2 LYS 3 HE2 LYS 3 2.905 -12.369 -6.562
20 HE3 LYS 3 HE3 LYS 3 4.183 -11.250 -6.092
21 HZ1 LYS 3 HZ1 LYS 3 4.852 -13.441 -5.504
22 HZ2 LYS 3 HZ2 LYS 3 3.396 -13.750 -4.702
23 HZ3 LYS 3 HZ3 LYS 3 4.488 -12.626 -4.066
24 HA PRO 4 HA PRO 4 -2.911 -8.719 -7.980
25 HB2 PRO 4 HB2 PRO 4 -3.507 -5.966 -8.009
26 HB3 PRO 4 HB3 PRO 4 -4.507 -7.244 -7.304
27 HG2 PRO 4 HG2 PRO 4 -3.253 -5.192 -5.890
28 HG3 PRO 4 HG3 PRO 4 -3.941 -6.669 -5.200
29 HD2 PRO 4 HD2 PRO 4 -1.095 -6.046 -5.868
30 HD3 PRO 4 HD3 PRO 4 -1.766 -6.965 -4.503
31 H ASN 5 H ASN 5 -0.179 -6.724 -7.371
32 HA ASN 5 HA ASN 5 1.255 -5.463 -8.589
33 HB2 ASN 5 HB2 ASN 5 1.565 -6.921 -10.990
34 HB3 ASN 5 HB3 ASN 5 2.594 -6.945 -9.569
35 HD21 ASN 5 HD21 ASN 5 2.544 -8.673 -8.214
36 HD22 ASN 5 HD22 ASN 5 1.678 -10.129 -8.555
37 H GLY 6 H GLY 6 0.457 -3.587 -9.111
38 HA2 GLY 6 HA2 GLY 6 0.173 -2.084 -11.004
39 HA3 GLY 6 HA3 GLY 6 -0.853 -3.307 -11.741
40 H ALA 7 H ALA 7 -1.298 -2.939 -8.367
41 HA ALA 7 HA ALA 7 -3.896 -1.668 -8.824
42 HB1 ALA 7 HB1 ALA 7 -3.877 -3.741 -7.555
43 HB2 ALA 7 HB2 ALA 7 -4.415 -2.404 -6.537
44 HB3 ALA 7 HB3 ALA 7 -2.774 -3.030 -6.377
45 H LYS 8 H LYS 8 -4.615 -0.175 -6.900
46 HA LYS 8 HA LYS 8 -2.533 1.862 -6.590
47 HB2 LYS 8 HB2 LYS 8 -5.426 1.904 -6.978
48 HB3 LYS 8 HB3 LYS 8 -4.884 2.993 -5.708
49 HG2 LYS 8 HG2 LYS 8 -3.643 4.286 -7.158
50 HG3 LYS 8 HG3 LYS 8 -3.502 2.992 -8.351
51 HD2 LYS 8 HD2 LYS 8 -5.840 3.218 -8.928
52 HD3 LYS 8 HD3 LYS 8 -6.061 4.432 -7.666
53 HE2 LYS 8 HE2 LYS 8 -4.489 5.914 -8.823
54 HE3 LYS 8 HE3 LYS 8 -4.273 4.700 -10.082
55 HZ1 LYS 8 HZ1 LYS 8 -6.824 6.072 -9.423
56 HZ2 LYS 8 HZ2 LYS 8 -6.618 4.906 -10.631
57 HZ3 LYS 8 HZ3 LYS 8 -5.841 6.403 -10.760
58 H CYS 9 H CYS 9 -2.113 2.871 -4.647
59 HA CYS 9 HA CYS 9 -3.090 1.528 -2.212
60 HB2 CYS 9 HB2 CYS 9 -0.320 2.067 -3.137
61 HB3 CYS 9 HB3 CYS 9 -0.638 2.330 -1.428
62 H THR 10 H THR 10 -4.619 3.145 -1.848
63 HA THR 10 HA THR 10 -3.781 5.920 -1.630
64 HB THR 10 HB THR 10 -6.506 5.058 -0.752
65 HG1 THR 10 HG1 THR 10 -5.441 4.712 -3.320
66 HG21 THR 10 HG21 THR 10 -5.894 7.426 -0.716
67 HG22 THR 10 HG22 THR 10 -7.151 7.129 -1.918
68 HG23 THR 10 HG23 THR 10 -5.478 7.357 -2.429
69 H GLU 11 H GLU 11 -4.434 7.179 0.322
70 HA GLU 11 HA GLU 11 -3.065 6.447 2.588
71 HB2 GLU 11 HB2 GLU 11 -3.879 8.737 1.905
72 HB3 GLU 11 HB3 GLU 11 -5.441 8.299 2.580
73 HG2 GLU 11 HG2 GLU 11 -4.522 8.112 4.770
74 HG3 GLU 11 HG3 GLU 11 -2.881 8.300 4.153
75 H ILE 12 H ILE 12 -6.393 5.750 1.845
76 HA ILE 12 HA ILE 12 -6.679 4.316 4.388
77 HB ILE 12 HB ILE 12 -9.047 5.201 2.774
78 HG12 ILE 12 HG12 ILE 12 -7.773 7.282 3.038
79 HG13 ILE 12 HG13 ILE 12 -9.217 7.314 4.034
80 HG21 ILE 12 HG21 ILE 12 -10.146 5.242 4.960
81 HG22 ILE 12 HG22 ILE 12 -8.629 4.745 5.713
82 HG23 ILE 12 HG23 ILE 12 -9.444 3.670 4.576
83 HD11 ILE 12 HD11 ILE 12 -7.877 6.898 6.023
84 HD12 ILE 12 HD12 ILE 12 -7.282 8.313 5.155
85 HD13 ILE 12 HD13 ILE 12 -6.421 6.779 5.034
86 H SER 13 H SER 13 -6.000 3.699 1.255
87 HA SER 13 HA SER 13 -7.447 1.149 1.309
88 HB2 SER 13 HB2 SER 13 -7.034 2.838 -1.164
89 HB3 SER 13 HB3 SER 13 -7.801 1.252 -1.116
90 HG SER 13 HG SER 13 -9.391 2.193 0.281
91 H ILE 14 H ILE 14 -6.271 -0.601 1.023
92 HA ILE 14 HA ILE 14 -3.783 -0.524 -0.467
93 HB ILE 14 HB ILE 14 -2.437 -1.620 1.304
94 HG12 ILE 14 HG12 ILE 14 -3.413 -0.952 3.732
95 HG13 ILE 14 HG13 ILE 14 -4.924 -1.303 2.899
96 HG21 ILE 14 HG21 ILE 14 -1.949 0.382 2.614
97 HG22 ILE 14 HG22 ILE 14 -3.450 1.111 2.042
98 HG23 ILE 14 HG23 ILE 14 -2.159 0.740 0.899
99 HD11 ILE 14 HD11 ILE 14 -4.085 -3.259 4.065
100 HD12 ILE 14 HD12 ILE 14 -2.576 -3.167 3.157
101 HD13 ILE 14 HD13 ILE 14 -4.086 -3.523 2.321
102 HA PRO 15 HA PRO 15 -5.307 -4.652 -1.410
103 HB2 PRO 15 HB2 PRO 15 -3.278 -5.513 -2.977
104 HB3 PRO 15 HB3 PRO 15 -4.382 -4.235 -3.519
105 HG2 PRO 15 HG2 PRO 15 -1.640 -4.005 -2.377
106 HG3 PRO 15 HG3 PRO 15 -2.358 -3.177 -3.776
107 HD2 PRO 15 HD2 PRO 15 -2.149 -2.022 -1.319
108 HD3 PRO 15 HD3 PRO 15 -3.429 -1.619 -2.480
109 HA PRO 16 HA PRO 16 -3.179 -7.495 1.347
110 HB2 PRO 16 HB2 PRO 16 -2.771 -9.733 -0.461
111 HB3 PRO 16 HB3 PRO 16 -4.006 -9.543 0.794
112 HG2 PRO 16 HG2 PRO 16 -4.591 -9.582 -1.846
113 HG3 PRO 16 HG3 PRO 16 -5.543 -8.675 -0.655
114 HD2 PRO 16 HD2 PRO 16 -3.428 -7.686 -2.522
115 HD3 PRO 16 HD3 PRO 16 -5.013 -6.975 -2.138
116 H CYS 17 H CYS 17 -1.554 -7.998 -1.797
117 HA CYS 17 HA CYS 17 0.589 -8.357 -2.410
118 HB2 CYS 17 HB2 CYS 17 1.348 -6.305 -0.344
119 HB3 CYS 17 HB3 CYS 17 2.146 -6.646 -1.875
120 H CYS 18 H CYS 18 1.380 -10.308 -2.019
121 HA CYS 18 HA CYS 18 2.191 -11.053 0.678
122 HB2 CYS 18 HB2 CYS 18 1.335 -12.508 -1.701
123 HB3 CYS 18 HB3 CYS 18 2.720 -13.242 -0.896
124 H SER 19 H SER 19 3.591 -10.267 -2.392
125 HA SER 19 HA SER 19 6.267 -10.479 -1.196
126 HB2 SER 19 HB2 SER 19 5.649 -11.320 -4.035
127 HB3 SER 19 HB3 SER 19 7.219 -11.383 -3.237
128 HG SER 19 HG SER 19 4.981 -12.762 -2.206
129 H ASN 20 H ASN 20 4.010 -8.801 -3.117
130 HA ASN 20 HA ASN 20 5.881 -6.993 -4.358
131 HB2 ASN 20 HB2 ASN 20 2.884 -7.202 -4.262
132 HB3 ASN 20 HB3 ASN 20 3.668 -5.791 -4.956
133 HD21 ASN 20 HD21 ASN 20 4.969 -9.049 -5.185
134 HD22 ASN 20 HD22 ASN 20 4.728 -9.224 -6.887
135 H PHE 21 H PHE 21 4.783 -4.516 -4.112
136 HA PHE 21 HA PHE 21 5.013 -3.932 -1.237
137 HB2 PHE 21 HB2 PHE 21 6.095 -1.781 -1.897
138 HB3 PHE 21 HB3 PHE 21 7.033 -3.202 -2.317
139 HD1 PHE 21 HD1 PHE 21 4.668 -0.699 -3.813
140 HD2 PHE 21 HD2 PHE 21 7.862 -3.443 -4.441
141 HE1 PHE 21 HE1 PHE 21 4.965 0.154 -6.103
142 HE2 PHE 21 HE2 PHE 21 8.156 -2.594 -6.726
143 HZ PHE 21 HZ PHE 21 6.709 -0.789 -7.559
144 H CYS 22 H CYS 22 4.212 -1.647 -0.739
145 HA CYS 22 HA CYS 22 1.843 -0.939 -2.313
146 HB2 CYS 22 HB2 CYS 22 1.039 -2.206 -0.365
147 HB3 CYS 22 HB3 CYS 22 1.942 -1.145 0.712
148 H LEU 23 H LEU 23 2.215 1.025 -3.056
149 HA LEU 23 HA LEU 23 4.118 2.758 -1.768
150 HB2 LEU 23 HB2 LEU 23 2.618 2.816 -4.344
151 HB3 LEU 23 HB3 LEU 23 3.383 4.277 -3.766
152 HG LEU 23 HG LEU 23 4.764 1.659 -4.387
153 HD11 LEU 23 HD11 LEU 23 4.835 2.428 -6.464
154 HD12 LEU 23 HD12 LEU 23 5.793 3.793 -5.891
155 HD13 LEU 23 HD13 LEU 23 4.037 3.925 -5.981
156 HD21 LEU 23 HD21 LEU 23 6.820 3.292 -4.171
157 HD22 LEU 23 HD22 LEU 23 6.154 2.503 -2.743
158 HD23 LEU 23 HD23 LEU 23 5.738 4.181 -3.098
159 H ARG 24 H ARG 24 2.204 2.406 -0.041
160 HA ARG 24 HA ARG 24 0.355 4.666 -0.047
161 HB2 ARG 24 HB2 ARG 24 -0.004 2.167 0.825
162 HB3 ARG 24 HB3 ARG 24 0.681 2.827 2.297
163 HG2 ARG 24 HG2 ARG 24 -1.659 4.165 0.976
164 HG3 ARG 24 HG3 ARG 24 -1.891 2.753 2.001
165 HD2 ARG 24 HD2 ARG 24 -2.180 4.486 3.498
166 HD3 ARG 24 HD3 ARG 24 -0.480 4.089 3.731
167 HE ARG 24 HE ARG 24 -0.491 6.047 1.817
168 HH11 ARG 24 HH11 ARG 24 -1.686 5.822 5.112
169 HH12 ARG 24 HH12 ARG 24 -1.489 7.515 5.422
170 HH21 ARG 24 HH21 ARG 24 -0.260 8.267 2.241
171 HH22 ARG 24 HH22 ARG 24 -0.684 8.895 3.798
172 H TYR 25 H TYR 25 2.746 5.682 -0.201
173 HA TYR 25 HA TYR 25 4.275 6.040 2.133
174 HB2 TYR 25 HB2 TYR 25 4.691 6.572 -0.459
175 HB3 TYR 25 HB3 TYR 25 4.264 8.190 0.086
176 HD1 TYR 25 HD1 TYR 25 5.743 9.447 1.519
177 HD2 TYR 25 HD2 TYR 25 6.705 5.458 0.397
178 HE1 TYR 25 HE1 TYR 25 8.036 9.777 2.337
179 HE2 TYR 25 HE2 TYR 25 9.002 5.778 1.213
180 HH TYR 25 HH TYR 25 10.565 7.628 1.640
181 H ALA 26 H ALA 26 4.611 8.049 3.339
182 HA ALA 26 HA ALA 26 2.192 9.111 4.385
183 HB1 ALA 26 HB1 ALA 26 5.013 10.046 4.845
184 HB2 ALA 26 HB2 ALA 26 4.192 8.770 5.744
185 HB3 ALA 26 HB3 ALA 26 3.607 10.431 5.838
186 H GLY 27 H GLY 27 4.164 10.080 1.770
187 HA2 GLY 27 HA2 GLY 27 2.904 12.752 1.719
188 HA3 GLY 27 HA3 GLY 27 4.466 12.390 1.004
189 H GLN 28 H GLN 28 2.008 10.015 0.626
190 HA GLN 28 HA GLN 28 1.348 10.981 -2.072
191 HB2 GLN 28 HB2 GLN 28 2.307 8.231 -1.294
192 HB3 GLN 28 HB3 GLN 28 1.413 8.523 -2.778
193 HG2 GLN 28 HG2 GLN 28 3.159 10.125 -3.474
194 HG3 GLN 28 HG3 GLN 28 4.071 9.717 -2.022
195 HE21 GLN 28 HE21 GLN 28 5.052 7.703 -1.862
196 HE22 GLN 28 HE22 GLN 28 5.296 6.687 -3.238
197 H LYS 29 H LYS 29 -0.636 10.251 -2.921
198 HA LYS 29 HA LYS 29 -2.491 9.051 -0.974
199 HB2 LYS 29 HB2 LYS 29 -2.908 11.477 -2.718
200 HB3 LYS 29 HB3 LYS 29 -4.257 10.574 -2.044
201 HG2 LYS 29 HG2 LYS 29 -3.438 11.024 0.212
202 HG3 LYS 29 HG3 LYS 29 -2.077 11.924 -0.462
203 HD2 LYS 29 HD2 LYS 29 -3.637 13.513 -1.480
204 HD3 LYS 29 HD3 LYS 29 -4.996 12.613 -0.804
205 HE2 LYS 29 HE2 LYS 29 -4.176 13.076 1.454
206 HE3 LYS 29 HE3 LYS 29 -2.818 13.973 0.778
207 HZ1 LYS 29 HZ1 LYS 29 -5.686 14.679 0.461
208 HZ2 LYS 29 HZ2 LYS 29 -4.384 15.541 -0.188
209 HZ3 LYS 29 HZ3 LYS 29 -4.587 15.453 1.490
210 H SER 30 H SER 30 -0.921 8.121 -3.450
211 HA SER 30 HA SER 30 -2.916 6.401 -4.517
212 HB2 SER 30 HB2 SER 30 -2.688 7.133 -6.916
213 HB3 SER 30 HB3 SER 30 -3.547 8.290 -5.902
214 HG SER 30 HG SER 30 -1.491 8.788 -7.403
215 H GLY 31 H GLY 31 -1.362 4.964 -3.660
216 HA2 GLY 31 HA2 GLY 31 1.249 4.836 -4.964
217 HA3 GLY 31 HA3 GLY 31 0.728 3.882 -3.586
218 H THR 32 H THR 32 1.780 2.092 -4.922
219 HA THR 32 HA THR 32 -0.300 0.744 -6.383
220 HB THR 32 HB THR 32 0.553 2.040 -8.231
221 HG1 THR 32 HG1 THR 32 1.216 -0.705 -8.190
222 HG21 THR 32 HG21 THR 32 2.765 2.647 -7.477
223 HG22 THR 32 HG22 THR 32 2.911 1.797 -9.016
224 HG23 THR 32 HG23 THR 32 3.285 0.962 -7.509
225 H CYS 33 H CYS 33 -0.253 -1.318 -5.921
226 HA CYS 33 HA CYS 33 2.053 -2.513 -4.671
227 HB2 CYS 33 HB2 CYS 33 -0.241 -3.106 -3.918
228 HB3 CYS 33 HB3 CYS 33 -0.536 -3.877 -5.472
229 H ALA 34 H ALA 34 3.654 -3.216 -5.738
230 HA ALA 34 HA ALA 34 3.427 -4.703 -8.221
231 HB1 ALA 34 HB1 ALA 34 4.895 -2.085 -7.965
232 HB2 ALA 34 HB2 ALA 34 3.603 -2.490 -9.093
233 HB3 ALA 34 HB3 ALA 34 5.193 -3.236 -9.268
234 H ASN 35 H ASN 35 5.792 -5.391 -8.898
235 HA ASN 35 HA ASN 35 6.982 -6.604 -6.555
236 HB2 ASN 35 HB2 ASN 35 7.475 -6.875 -9.517
237 HB3 ASN 35 HB3 ASN 35 8.546 -7.620 -8.336
238 HD21 ASN 35 HD21 ASN 35 5.431 -7.696 -9.832
239 HD22 ASN 35 HD22 ASN 35 4.920 -9.207 -9.172
240 H ARG 36 H ARG 36 9.084 -6.399 -5.845
241 HA ARG 36 HA ARG 36 10.358 -3.841 -6.507
242 HB2 ARG 36 HB2 ARG 36 9.720 -4.809 -4.088
243 HB3 ARG 36 HB3 ARG 36 11.328 -5.500 -4.236
244 HG2 ARG 36 HG2 ARG 36 12.284 -3.301 -4.546
245 HG3 ARG 36 HG3 ARG 36 10.677 -2.572 -4.512
246 HD2 ARG 36 HD2 ARG 36 10.379 -3.392 -2.212
247 HD3 ARG 36 HD3 ARG 36 12.009 -4.065 -2.253
248 HE ARG 36 HE ARG 36 12.366 -1.438 -2.867
249 HH11 ARG 36 HH11 ARG 36 10.833 -3.085 -0.170
250 HH12 ARG 36 HH12 ARG 36 11.187 -1.815 0.954
251 HH21 ARG 36 HH21 ARG 36 12.309 0.048 0.269
252 HH22 ARG 36 HH22 ARG 36 12.817 0.211 -1.379