Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
603535 | 2n3p RC | 25653 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PCA 1 HN PCA 1 -15.145 -2.936 -0.156
2 HA PCA 1 HA PCA 1 -14.351 -1.151 1.506
3 HB2 PCA 1 1HB PCA 1 -11.639 -2.179 1.616
4 HB3 PCA 1 2HB PCA 1 -12.742 -1.692 2.751
5 HG2 PCA 1 1HG PCA 1 -12.209 -4.481 2.152
6 HG3 PCA 1 2HG PCA 1 -13.275 -3.740 3.182
7 H TRP 2 H TRP 2 -13.222 0.697 0.866
8 HA TRP 2 HA TRP 2 -12.436 0.740 -1.955
9 HB2 TRP 2 2HB TRP 2 -13.225 2.928 -0.032
10 HB3 TRP 2 3HB TRP 2 -12.579 3.256 -1.636
11 HD1 TRP 2 HD1 TRP 2 -15.735 2.205 0.156
12 HE1 TRP 2 HE1 TRP 2 -17.670 2.050 -1.532
13 HE3 TRP 2 HE3 TRP 2 -13.075 2.668 -4.200
14 HZ2 TRP 2 HZ2 TRP 2 -18.029 2.113 -4.327
15 HZ3 TRP 2 HZ3 TRP 2 -14.297 2.609 -6.334
16 HH2 TRP 2 HH2 TRP 2 -16.722 2.337 -6.395
17 H CYS 3 H CYS 3 -11.131 1.157 1.238
18 HA CYS 3 HA CYS 3 -8.703 2.445 0.379
19 HB2 CYS 3 2HB CYS 3 -8.024 2.321 2.715
20 HB3 CYS 3 3HB CYS 3 -9.671 2.928 2.591
21 H ALA 4 H ALA 4 -6.584 1.561 0.664
22 HA ALA 4 HA ALA 4 -6.389 -1.191 -0.213
23 HB1 ALA 4 3HB ALA 4 -4.035 -0.693 -0.573
24 HB2 ALA 4 1HB ALA 4 -4.210 0.841 0.285
25 HB3 ALA 4 2HB ALA 4 -5.037 0.593 -1.250
26 H GLU 5 H GLU 5 -6.139 -2.868 1.111
27 HA GLU 5 HA GLU 5 -5.494 -2.406 3.910
28 HB2 GLU 5 2HB GLU 5 -6.287 -4.689 4.294
29 HB3 GLU 5 3HB GLU 5 -7.465 -3.763 3.383
30 HG2 GLU 5 2HG GLU 5 -6.571 -4.870 1.310
31 HG3 GLU 5 3HG GLU 5 -5.636 -5.923 2.365
32 H GLU 6 H GLU 6 -4.479 -5.101 4.395
33 HA GLU 6 HA GLU 6 -1.688 -4.572 3.883
34 HB2 GLU 6 2HB GLU 6 -1.310 -6.631 5.286
35 HB3 GLU 6 3HB GLU 6 -2.169 -5.330 6.088
36 HG2 GLU 6 2HG GLU 6 -4.286 -6.514 5.746
37 HG3 GLU 6 3HG GLU 6 -3.422 -7.819 4.934
38 H GLY 7 H GLY 7 -0.757 -5.122 2.070
39 HA2 GLY 7 2HA GLY 7 0.165 -6.841 0.667
40 HA3 GLY 7 3HA GLY 7 -1.301 -7.778 0.911
41 H GLU 8 H GLU 8 -2.018 -4.534 0.409
42 HA GLU 8 HA GLU 8 -2.553 -4.996 -2.452
43 HB2 GLU 8 2HB GLU 8 -4.165 -3.549 -0.356
44 HB3 GLU 8 3HB GLU 8 -4.410 -3.252 -2.069
45 HG2 GLU 8 2HG GLU 8 -4.572 -6.011 -0.902
46 HG3 GLU 8 3HG GLU 8 -5.953 -4.918 -0.917
47 H SER 9 H SER 9 -2.580 -3.048 -3.802
48 HA SER 9 HA SER 9 -0.303 -1.376 -3.224
49 HB2 SER 9 2HB SER 9 -0.722 -0.470 -5.504
50 HB3 SER 9 3HB SER 9 -0.571 -2.223 -5.469
51 HG SER 9 HG SER 9 -2.342 -1.634 -6.731
52 H CYS 10 H CYS 10 -0.259 0.713 -2.670
53 HA CYS 10 HA CYS 10 -2.841 2.024 -2.149
54 HB2 CYS 10 2HB CYS 10 -1.674 3.364 -0.471
55 HB3 CYS 10 3HB CYS 10 -1.430 1.649 -0.166
56 H GLU 11 H GLU 11 -1.736 1.989 -4.756
57 HA GLU 11 HA GLU 11 -0.544 4.587 -5.242
58 HB2 GLU 11 2HB GLU 11 -0.433 3.888 -7.591
59 HB3 GLU 11 3HB GLU 11 0.266 2.681 -6.525
60 HG2 GLU 11 2HG GLU 11 -1.568 1.217 -6.819
61 HG3 GLU 11 3HG GLU 11 -2.545 2.472 -7.577
62 H VAL 12 H VAL 12 -3.672 3.399 -4.910
63 HA VAL 12 HA VAL 12 -4.780 5.714 -6.345
64 HB VAL 12 HB VAL 12 -5.305 3.652 -7.580
65 HG11 VAL 12 1HG1 VAL 12 -6.252 2.682 -4.949
66 HG12 VAL 12 2HG1 VAL 12 -5.463 1.812 -6.265
67 HG13 VAL 12 3HG1 VAL 12 -7.180 2.202 -6.370
68 HG21 VAL 12 3HG2 VAL 12 -7.790 3.900 -7.666
69 HG22 VAL 12 1HG2 VAL 12 -6.885 5.408 -7.814
70 HG23 VAL 12 2HG2 VAL 12 -7.666 4.995 -6.289
71 H TYR 13 H TYR 13 -5.047 3.500 -3.613
72 HA TYR 13 HA TYR 13 -6.470 5.588 -2.124
73 HB2 TYR 13 2HB TYR 13 -7.238 2.713 -2.433
74 HB3 TYR 13 3HB TYR 13 -7.562 3.531 -0.925
75 HD1 TYR 13 HD2 TYR 13 -8.280 3.587 -4.554
76 HD2 TYR 13 HD1 TYR 13 -9.369 5.056 -0.709
77 HE1 TYR 13 HE2 TYR 13 -10.339 4.532 -5.504
78 HE2 TYR 13 HE1 TYR 13 -11.432 6.003 -1.652
79 HH TYR 13 HH TYR 13 -12.290 6.746 -3.833
80 HA PRO 14 HA PRO 14 -3.416 4.973 1.059
81 HB2 PRO 14 2HB PRO 14 -4.847 5.638 3.286
82 HB3 PRO 14 3HB PRO 14 -4.323 6.841 2.091
83 HG2 PRO 14 2HG PRO 14 -6.989 5.534 2.407
84 HG3 PRO 14 3HG PRO 14 -6.599 7.239 2.090
85 HD2 PRO 14 2HD PRO 14 -7.375 5.554 0.136
86 HD3 PRO 14 3HD PRO 14 -6.228 6.870 -0.150
87 H CYS 15 H CYS 15 -3.525 4.070 3.594
88 HA CYS 15 HA CYS 15 -4.121 1.254 3.283
89 HB2 CYS 15 2HB CYS 15 -2.940 2.680 5.672
90 HB3 CYS 15 3HB CYS 15 -2.939 0.954 5.375
91 H CYS 16 H CYS 16 -5.026 0.181 5.473
92 HA CYS 16 HA CYS 16 -7.511 1.634 6.097
93 HB2 CYS 16 2HB CYS 16 -7.173 -1.358 5.920
94 HB3 CYS 16 3HB CYS 16 -8.682 -0.482 6.160
95 H ASP 17 H ASP 17 -5.463 -0.999 7.412
96 HA ASP 17 HA ASP 17 -6.464 -0.534 10.091
97 HB2 ASP 17 2HB ASP 17 -4.499 -2.510 8.935
98 HB3 ASP 17 3HB ASP 17 -4.835 -2.409 10.660
99 H GLY 18 H GLY 18 -4.503 1.335 8.489
100 HA2 GLY 18 2HA GLY 18 -3.148 3.037 9.381
101 HA3 GLY 18 3HA GLY 18 -2.941 2.080 10.840
102 H LEU 19 H LEU 19 -2.439 0.942 7.560
103 HA LEU 19 HA LEU 19 0.232 0.049 8.170
104 HB2 LEU 19 2HB LEU 19 -1.263 -0.055 5.560
105 HB3 LEU 19 3HB LEU 19 0.161 -0.979 5.968
106 HG LEU 19 HG LEU 19 -2.174 -1.377 7.744
107 HD11 LEU 19 1HD1 LEU 19 -3.331 -2.844 6.218
108 HD12 LEU 19 2HD1 LEU 19 -2.161 -2.501 4.946
109 HD13 LEU 19 3HD1 LEU 19 -3.240 -1.228 5.519
110 HD21 LEU 19 3HD2 LEU 19 -1.281 -3.449 8.041
111 HD22 LEU 19 1HD2 LEU 19 0.176 -2.575 7.574
112 HD23 LEU 19 2HD2 LEU 19 -0.685 -3.552 6.386
113 H ILE 20 H ILE 20 1.941 0.383 6.396
114 HA ILE 20 HA ILE 20 2.017 3.236 5.656
115 HB ILE 20 HB ILE 20 4.316 1.436 6.469
116 HG12 ILE 20 2HG1 ILE 20 4.426 3.567 8.146
117 HG13 ILE 20 3HG1 ILE 20 2.687 3.471 7.876
118 HG21 ILE 20 1HG2 ILE 20 5.610 3.668 6.397
119 HG22 ILE 20 2HG2 ILE 20 4.308 4.221 5.339
120 HG23 ILE 20 3HG2 ILE 20 5.295 2.834 4.873
121 HD11 ILE 20 3HD1 ILE 20 4.384 1.169 8.799
122 HD12 ILE 20 1HD1 ILE 20 2.625 1.226 8.688
123 HD13 ILE 20 2HD1 ILE 20 3.468 2.233 9.866
124 H CYS 21 H CYS 21 2.767 3.803 3.657
125 HA CYS 21 HA CYS 21 2.635 1.794 1.588
126 HB2 CYS 21 2HB CYS 21 2.939 4.787 1.627
127 HB3 CYS 21 3HB CYS 21 3.148 3.877 0.131
128 H TYR 22 H TYR 22 4.346 0.500 1.506
129 HA TYR 22 HA TYR 22 7.032 1.410 1.928
130 HB2 TYR 22 2HB TYR 22 5.744 -1.218 1.302
131 HB3 TYR 22 3HB TYR 22 7.487 -1.034 1.116
132 HD1 TYR 22 HD1 TYR 22 8.911 -0.659 3.046
133 HD2 TYR 22 HD2 TYR 22 4.719 -1.213 3.496
134 HE1 TYR 22 HE1 TYR 22 9.231 -1.053 5.452
135 HE2 TYR 22 HE2 TYR 22 5.025 -1.611 5.905
136 HH TYR 22 HH TYR 22 6.800 -2.339 7.441
137 HA PRO 23 HA PRO 23 7.947 2.445 -2.310
138 HB2 PRO 23 2HB PRO 23 10.676 2.296 -2.220
139 HB3 PRO 23 3HB PRO 23 9.761 3.626 -1.485
140 HG2 PRO 23 2HG PRO 23 10.962 1.225 -0.190
141 HG3 PRO 23 3HG PRO 23 10.923 2.909 0.369
142 HD2 PRO 23 2HD PRO 23 9.223 1.009 1.317
143 HD3 PRO 23 3HD PRO 23 8.796 2.722 1.209
144 H THR 24 H THR 24 6.897 0.145 -2.520
145 HA THR 24 HA THR 24 8.799 -1.881 -3.432
146 HB THR 24 HB THR 24 6.917 -3.421 -3.490
147 HG1 THR 24 HG1 THR 24 5.436 -1.406 -3.957
148 HG21 THR 24 3HG2 THR 24 7.992 -3.041 -1.313
149 HG22 THR 24 1HG2 THR 24 6.278 -3.414 -1.128
150 HG23 THR 24 2HG2 THR 24 6.838 -1.748 -0.972
151 H PHE 25 H PHE 25 8.658 -2.844 -5.501
152 HA PHE 25 HA PHE 25 7.511 -1.052 -7.514
153 HB2 PHE 25 2HB PHE 25 10.010 -2.575 -7.356
154 HB3 PHE 25 3HB PHE 25 9.198 -2.698 -8.909
155 HD1 PHE 25 HD1 PHE 25 10.528 -0.260 -6.442
156 HD2 PHE 25 HD2 PHE 25 9.327 -0.967 -10.466
157 HE1 PHE 25 HE1 PHE 25 11.446 1.928 -7.100
158 HE2 PHE 25 HE2 PHE 25 10.234 1.218 -11.127
159 HZ PHE 25 HZ PHE 25 11.299 2.669 -9.443
160 HA PRO 26 HA PRO 26 7.150 -1.061 -9.717
161 HB2 PRO 26 2HB PRO 26 4.490 -1.081 -10.841
162 HB3 PRO 26 3HB PRO 26 6.035 -1.331 -11.669
163 HG2 PRO 26 2HG PRO 26 4.154 -3.276 -11.346
164 HG3 PRO 26 3HG PRO 26 5.887 -3.589 -11.552
165 HD2 PRO 26 2HD PRO 26 4.251 -3.604 -9.054
166 HD3 PRO 26 3HD PRO 26 5.584 -4.672 -9.540
167 H GLU 27 H GLU 27 4.092 -1.745 -8.045
168 HA GLU 27 HA GLU 27 3.906 1.095 -7.322
169 HB2 GLU 27 2HB GLU 27 1.497 0.666 -6.843
170 HB3 GLU 27 3HB GLU 27 1.941 0.458 -8.526
171 HG2 GLU 27 2HG GLU 27 1.814 -1.909 -6.703
172 HG3 GLU 27 3HG GLU 27 0.341 -1.237 -7.395
173 HA PRO 28 HA PRO 28 4.840 0.121 -3.073
174 HB2 PRO 28 2HB PRO 28 3.364 2.047 -1.775
175 HB3 PRO 28 3HB PRO 28 4.928 2.356 -2.563
176 HG2 PRO 28 2HG PRO 28 2.177 2.878 -3.567
177 HG3 PRO 28 3HG PRO 28 3.635 3.879 -3.703
178 HD2 PRO 28 2HD PRO 28 2.740 2.397 -5.759
179 HD3 PRO 28 3HD PRO 28 4.472 2.657 -5.472
180 H ILE 29 H ILE 29 3.970 -0.720 -1.129
181 HA ILE 29 HA ILE 29 1.146 -1.568 -1.279
182 HB ILE 29 HB ILE 29 3.327 -3.251 -0.037
183 HG12 ILE 29 2HG1 ILE 29 3.924 -3.099 -2.383
184 HG13 ILE 29 3HG1 ILE 29 3.282 -4.699 -2.056
185 HG21 ILE 29 1HG2 ILE 29 1.710 -5.092 -0.247
186 HG22 ILE 29 2HG2 ILE 29 0.527 -3.960 -0.903
187 HG23 ILE 29 3HG2 ILE 29 1.103 -3.772 0.753
188 HD11 ILE 29 3HD1 ILE 29 1.187 -4.103 -3.135
189 HD12 ILE 29 1HD1 ILE 29 2.544 -3.798 -4.220
190 HD13 ILE 29 2HD1 ILE 29 1.761 -2.454 -3.386
191 H CYS 30 H CYS 30 0.074 -1.855 0.735
192 HA CYS 30 HA CYS 30 1.011 -0.042 2.800
193 HB2 CYS 30 2HB CYS 30 -1.583 -1.317 2.064
194 HB3 CYS 30 3HB CYS 30 -1.355 -0.850 3.737
195 H GLY 31 H GLY 31 2.152 -0.752 4.493
196 HA2 GLY 31 2HA GLY 31 1.473 -3.270 5.786
197 HA3 GLY 31 3HA GLY 31 3.085 -3.174 5.107
198 H VAL 32 H VAL 32 2.085 -3.445 7.901
199 HA VAL 32 HA VAL 32 3.040 -0.987 9.153
200 HB VAL 32 HB VAL 32 2.482 -2.307 11.331
201 HG11 VAL 32 1HG1 VAL 32 0.334 -1.394 11.380
202 HG12 VAL 32 2HG1 VAL 32 0.105 -1.606 9.648
203 HG13 VAL 32 3HG1 VAL 32 1.215 -0.372 10.245
204 HG21 VAL 32 3HG2 VAL 32 0.781 -3.868 9.386
205 HG22 VAL 32 1HG2 VAL 32 0.762 -3.998 11.144
206 HG23 VAL 32 2HG2 VAL 32 2.186 -4.509 10.237
Start of MODEL 2
1 H1 PCA 1 HN PCA 1 -15.300 -2.868 -0.686
2 HA PCA 1 HA PCA 1 -14.182 -1.531 1.194
3 HB2 PCA 1 1HB PCA 1 -11.558 -2.679 0.725
4 HB3 PCA 1 2HB PCA 1 -12.482 -2.411 2.073
5 HG2 PCA 1 1HG PCA 1 -12.227 -5.017 0.820
6 HG3 PCA 1 2HG PCA 1 -13.103 -4.479 2.120
7 H TRP 2 H TRP 2 -13.029 0.366 0.809
8 HA TRP 2 HA TRP 2 -12.446 0.919 -2.019
9 HB2 TRP 2 2HB TRP 2 -13.189 2.763 0.254
10 HB3 TRP 2 3HB TRP 2 -12.660 3.336 -1.323
11 HD1 TRP 2 HD1 TRP 2 -15.636 1.742 0.442
12 HE1 TRP 2 HE1 TRP 2 -17.686 1.846 -1.108
13 HE3 TRP 2 HE3 TRP 2 -13.352 3.384 -3.841
14 HZ2 TRP 2 HZ2 TRP 2 -18.265 2.529 -3.781
15 HZ3 TRP 2 HZ3 TRP 2 -14.732 3.734 -5.848
16 HH2 TRP 2 HH2 TRP 2 -17.136 3.315 -5.817
17 H CYS 3 H CYS 3 -11.128 1.143 1.223
18 HA CYS 3 HA CYS 3 -8.697 2.438 0.383
19 HB2 CYS 3 2HB CYS 3 -8.028 2.308 2.719
20 HB3 CYS 3 3HB CYS 3 -9.677 2.910 2.596
21 H ALA 4 H ALA 4 -6.582 1.554 0.674
22 HA ALA 4 HA ALA 4 -6.384 -1.196 -0.212
23 HB1 ALA 4 3HB ALA 4 -4.038 -0.694 -0.587
24 HB2 ALA 4 1HB ALA 4 -4.199 0.828 0.296
25 HB3 ALA 4 2HB ALA 4 -5.038 0.608 -1.238
26 H GLU 5 H GLU 5 -6.139 -2.872 1.115
27 HA GLU 5 HA GLU 5 -5.490 -2.412 3.913
28 HB2 GLU 5 2HB GLU 5 -6.283 -4.693 4.297
29 HB3 GLU 5 3HB GLU 5 -7.460 -3.769 3.385
30 HG2 GLU 5 2HG GLU 5 -6.563 -4.877 1.312
31 HG3 GLU 5 3HG GLU 5 -5.631 -5.931 2.372
32 H GLU 6 H GLU 6 -4.473 -5.103 4.400
33 HA GLU 6 HA GLU 6 -1.682 -4.574 3.883
34 HB2 GLU 6 2HB GLU 6 -1.301 -6.634 5.285
35 HB3 GLU 6 3HB GLU 6 -2.160 -5.333 6.087
36 HG2 GLU 6 2HG GLU 6 -4.276 -6.520 5.746
37 HG3 GLU 6 3HG GLU 6 -3.412 -7.824 4.937
38 H GLY 7 H GLY 7 -0.753 -5.123 2.069
39 HA2 GLY 7 2HA GLY 7 0.169 -6.842 0.664
40 HA3 GLY 7 3HA GLY 7 -1.297 -7.777 0.909
41 H GLU 8 H GLU 8 -2.017 -4.537 0.411
42 HA GLU 8 HA GLU 8 -2.555 -4.996 -2.450
43 HB2 GLU 8 2HB GLU 8 -4.164 -3.552 -0.350
44 HB3 GLU 8 3HB GLU 8 -4.410 -3.249 -2.061
45 HG2 GLU 8 2HG GLU 8 -4.574 -6.012 -0.903
46 HG3 GLU 8 3HG GLU 8 -5.954 -4.918 -0.916
47 H SER 9 H SER 9 -2.580 -3.049 -3.800
48 HA SER 9 HA SER 9 -0.304 -1.376 -3.224
49 HB2 SER 9 2HB SER 9 -0.725 -0.469 -5.502
50 HB3 SER 9 3HB SER 9 -0.574 -2.224 -5.469
51 HG SER 9 HG SER 9 -2.572 -0.807 -6.427
52 H CYS 10 H CYS 10 -0.258 0.713 -2.671
53 HA CYS 10 HA CYS 10 -2.839 2.024 -2.149
54 HB2 CYS 10 2HB CYS 10 -1.672 3.362 -0.468
55 HB3 CYS 10 3HB CYS 10 -1.432 1.646 -0.165
56 H GLU 11 H GLU 11 -1.742 1.993 -4.755
57 HA GLU 11 HA GLU 11 -0.540 4.588 -5.237
58 HB2 GLU 11 2HB GLU 11 -0.436 3.891 -7.590
59 HB3 GLU 11 3HB GLU 11 0.265 2.684 -6.525
60 HG2 GLU 11 2HG GLU 11 -1.570 1.221 -6.814
61 HG3 GLU 11 3HG GLU 11 -2.548 2.475 -7.570
62 H VAL 12 H VAL 12 -3.672 3.406 -4.914
63 HA VAL 12 HA VAL 12 -4.770 5.731 -6.339
64 HB VAL 12 HB VAL 12 -5.294 3.669 -7.582
65 HG11 VAL 12 1HG1 VAL 12 -5.474 1.836 -6.260
66 HG12 VAL 12 2HG1 VAL 12 -7.188 2.231 -6.392
67 HG13 VAL 12 3HG1 VAL 12 -6.281 2.711 -4.960
68 HG21 VAL 12 3HG2 VAL 12 -6.858 5.423 -7.851
69 HG22 VAL 12 1HG2 VAL 12 -7.641 5.057 -6.314
70 HG23 VAL 12 2HG2 VAL 12 -7.788 3.936 -7.667
71 H TYR 13 H TYR 13 -5.052 3.508 -3.615
72 HA TYR 13 HA TYR 13 -6.472 5.596 -2.123
73 HB2 TYR 13 2HB TYR 13 -7.250 2.725 -2.450
74 HB3 TYR 13 3HB TYR 13 -7.561 3.526 -0.930
75 HD1 TYR 13 HD1 TYR 13 -8.275 3.689 -4.563
76 HD2 TYR 13 HD2 TYR 13 -9.394 4.993 -0.670
77 HE1 TYR 13 HE1 TYR 13 -10.343 4.645 -5.485
78 HE2 TYR 13 HE2 TYR 13 -11.464 5.953 -1.583
79 HH TYR 13 HH TYR 13 -12.590 5.267 -4.706
80 HA PRO 14 HA PRO 14 -3.423 4.974 1.060
81 HB2 PRO 14 2HB PRO 14 -4.855 5.633 3.288
82 HB3 PRO 14 3HB PRO 14 -4.332 6.839 2.096
83 HG2 PRO 14 2HG PRO 14 -6.997 5.531 2.411
84 HG3 PRO 14 3HG PRO 14 -6.607 7.236 2.094
85 HD2 PRO 14 2HD PRO 14 -7.383 5.550 0.139
86 HD3 PRO 14 3HD PRO 14 -6.239 6.869 -0.146
87 H CYS 15 H CYS 15 -3.530 4.067 3.593
88 HA CYS 15 HA CYS 15 -4.123 1.251 3.280
89 HB2 CYS 15 2HB CYS 15 -2.945 2.676 5.669
90 HB3 CYS 15 3HB CYS 15 -2.940 0.951 5.372
91 H CYS 16 H CYS 16 -5.026 0.176 5.470
92 HA CYS 16 HA CYS 16 -7.515 1.624 6.090
93 HB2 CYS 16 2HB CYS 16 -7.169 -1.367 5.920
94 HB3 CYS 16 3HB CYS 16 -8.680 -0.495 6.158
95 H ASP 17 H ASP 17 -5.461 -1.001 7.413
96 HA ASP 17 HA ASP 17 -6.465 -0.530 10.091
97 HB2 ASP 17 2HB ASP 17 -4.500 -2.509 8.940
98 HB3 ASP 17 3HB ASP 17 -4.836 -2.403 10.664
99 H GLY 18 H GLY 18 -4.507 1.337 8.485
100 HA2 GLY 18 2HA GLY 18 -3.152 3.040 9.373
101 HA3 GLY 18 3HA GLY 18 -2.945 2.087 10.834
102 H LEU 19 H LEU 19 -2.441 0.945 7.555
103 HA LEU 19 HA LEU 19 0.230 0.053 8.168
104 HB2 LEU 19 2HB LEU 19 -1.263 -0.055 5.559
105 HB3 LEU 19 3HB LEU 19 0.161 -0.978 5.969
106 HG LEU 19 HG LEU 19 -2.175 -1.376 7.744
107 HD11 LEU 19 1HD1 LEU 19 -3.329 -2.847 6.219
108 HD12 LEU 19 2HD1 LEU 19 -2.158 -2.503 4.947
109 HD13 LEU 19 3HD1 LEU 19 -3.240 -1.231 5.518
110 HD21 LEU 19 3HD2 LEU 19 0.178 -2.571 7.574
111 HD22 LEU 19 1HD2 LEU 19 -0.683 -3.551 6.390
112 HD23 LEU 19 2HD2 LEU 19 -1.279 -3.447 8.045
113 H ILE 20 H ILE 20 1.941 0.386 6.397
114 HA ILE 20 HA ILE 20 2.017 3.239 5.655
115 HB ILE 20 HB ILE 20 4.316 1.438 6.469
116 HG12 ILE 20 2HG1 ILE 20 4.425 3.570 8.143
117 HG13 ILE 20 3HG1 ILE 20 2.687 3.472 7.874
118 HG21 ILE 20 1HG2 ILE 20 5.292 2.836 4.870
119 HG22 ILE 20 2HG2 ILE 20 5.610 3.669 6.395
120 HG23 ILE 20 3HG2 ILE 20 4.308 4.224 5.340
121 HD11 ILE 20 3HD1 ILE 20 2.628 1.228 8.690
122 HD12 ILE 20 1HD1 ILE 20 3.471 2.235 9.865
123 HD13 ILE 20 2HD1 ILE 20 4.386 1.171 8.796
124 H CYS 21 H CYS 21 2.769 3.804 3.656
125 HA CYS 21 HA CYS 21 2.635 1.795 1.588
126 HB2 CYS 21 2HB CYS 21 2.940 4.788 1.626
127 HB3 CYS 21 3HB CYS 21 3.148 3.878 0.131
128 H TYR 22 H TYR 22 4.346 0.500 1.507
129 HA TYR 22 HA TYR 22 7.033 1.409 1.930
130 HB2 TYR 22 2HB TYR 22 5.743 -1.218 1.302
131 HB3 TYR 22 3HB TYR 22 7.486 -1.036 1.116
132 HD1 TYR 22 HD1 TYR 22 8.911 -0.659 3.048
133 HD2 TYR 22 HD2 TYR 22 4.719 -1.213 3.495
134 HE1 TYR 22 HE1 TYR 22 9.229 -1.052 5.453
135 HE2 TYR 22 HE2 TYR 22 5.024 -1.611 5.905
136 HH TYR 22 HH TYR 22 6.799 -2.338 7.443
137 HA PRO 23 HA PRO 23 7.948 2.443 -2.309
138 HB2 PRO 23 2HB PRO 23 10.678 2.294 -2.219
139 HB3 PRO 23 3HB PRO 23 9.763 3.624 -1.485
140 HG2 PRO 23 2HG PRO 23 10.962 1.224 -0.189
141 HG3 PRO 23 3HG PRO 23 10.924 2.909 0.369
142 HD2 PRO 23 2HD PRO 23 9.223 1.008 1.317
143 HD3 PRO 23 3HD PRO 23 8.797 2.720 1.209
144 H THR 24 H THR 24 6.898 0.144 -2.519
145 HA THR 24 HA THR 24 8.798 -1.882 -3.432
146 HB THR 24 HB THR 24 6.916 -3.421 -3.489
147 HG1 THR 24 HG1 THR 24 5.429 -1.438 -3.981
148 HG21 THR 24 3HG2 THR 24 6.841 -1.748 -0.972
149 HG22 THR 24 1HG2 THR 24 7.990 -3.044 -1.312
150 HG23 THR 24 2HG2 THR 24 6.274 -3.413 -1.128
151 H PHE 25 H PHE 25 8.651 -2.850 -5.500
152 HA PHE 25 HA PHE 25 7.507 -1.056 -7.514
153 HB2 PHE 25 2HB PHE 25 10.007 -2.581 -7.355
154 HB3 PHE 25 3HB PHE 25 9.193 -2.705 -8.907
155 HD1 PHE 25 HD2 PHE 25 10.525 -0.264 -6.445
156 HD2 PHE 25 HD1 PHE 25 9.321 -0.977 -10.466
157 HE1 PHE 25 HE2 PHE 25 11.442 1.923 -7.106
158 HE2 PHE 25 HE1 PHE 25 10.230 1.206 -11.131
159 HZ PHE 25 HZ PHE 25 11.294 2.661 -9.451
160 HA PRO 26 HA PRO 26 7.146 -1.068 -9.718
161 HB2 PRO 26 2HB PRO 26 4.485 -1.088 -10.840
162 HB3 PRO 26 3HB PRO 26 6.028 -1.340 -11.669
163 HG2 PRO 26 2HG PRO 26 4.148 -3.284 -11.343
164 HG3 PRO 26 3HG PRO 26 5.881 -3.597 -11.549
165 HD2 PRO 26 2HD PRO 26 4.246 -3.608 -9.050
166 HD3 PRO 26 3HD PRO 26 5.579 -4.679 -9.535
167 H GLU 27 H GLU 27 4.089 -1.750 -8.042
168 HA GLU 27 HA GLU 27 3.905 1.092 -7.322
169 HB2 GLU 27 2HB GLU 27 1.496 0.665 -6.841
170 HB3 GLU 27 3HB GLU 27 1.939 0.458 -8.525
171 HG2 GLU 27 2HG GLU 27 1.812 -1.911 -6.704
172 HG3 GLU 27 3HG GLU 27 0.338 -1.237 -7.394
173 HA PRO 28 HA PRO 28 4.840 0.119 -3.072
174 HB2 PRO 28 2HB PRO 28 3.364 2.047 -1.775
175 HB3 PRO 28 3HB PRO 28 4.929 2.355 -2.563
176 HG2 PRO 28 2HG PRO 28 2.179 2.879 -3.567
177 HG3 PRO 28 3HG PRO 28 3.638 3.879 -3.704
178 HD2 PRO 28 2HD PRO 28 2.740 2.396 -5.759
179 HD3 PRO 28 3HD PRO 28 4.473 2.654 -5.473
180 H ILE 29 H ILE 29 3.970 -0.724 -1.130
181 HA ILE 29 HA ILE 29 1.146 -1.569 -1.277
182 HB ILE 29 HB ILE 29 3.327 -3.253 -0.037
183 HG12 ILE 29 2HG1 ILE 29 3.925 -3.101 -2.382
184 HG13 ILE 29 3HG1 ILE 29 3.280 -4.701 -2.056
185 HG21 ILE 29 1HG2 ILE 29 1.102 -3.773 0.754
186 HG22 ILE 29 2HG2 ILE 29 1.709 -5.092 -0.246
187 HG23 ILE 29 3HG2 ILE 29 0.526 -3.960 -0.903
188 HD11 ILE 29 3HD1 ILE 29 2.545 -3.797 -4.220
189 HD12 ILE 29 1HD1 ILE 29 1.762 -2.454 -3.385
190 HD13 ILE 29 2HD1 ILE 29 1.188 -4.104 -3.137
191 H CYS 30 H CYS 30 0.076 -1.854 0.735
192 HA CYS 30 HA CYS 30 1.010 -0.042 2.800
193 HB2 CYS 30 2HB CYS 30 -1.583 -1.319 2.065
194 HB3 CYS 30 3HB CYS 30 -1.355 -0.850 3.737
195 H GLY 31 H GLY 31 2.154 -0.752 4.492
196 HA2 GLY 31 2HA GLY 31 1.476 -3.269 5.786
197 HA3 GLY 31 3HA GLY 31 3.087 -3.171 5.108
198 H VAL 32 H VAL 32 2.088 -3.445 7.902
199 HA VAL 32 HA VAL 32 3.040 -0.985 9.152
200 HB VAL 32 HB VAL 32 2.481 -2.303 11.332
201 HG11 VAL 32 1HG1 VAL 32 0.333 -1.389 11.380
202 HG12 VAL 32 2HG1 VAL 32 0.104 -1.601 9.647
203 HG13 VAL 32 3HG1 VAL 32 1.214 -0.368 10.243
204 HG21 VAL 32 3HG2 VAL 32 2.184 -4.505 10.235
205 HG22 VAL 32 1HG2 VAL 32 0.777 -3.864 9.385
206 HG23 VAL 32 2HG2 VAL 32 0.762 -3.996 11.144
Start of MODEL 3
1 H1 PCA 1 HN PCA 1 -12.207 -2.005 1.852
2 HA PCA 1 HA PCA 1 -13.831 -3.007 0.137
3 HB2 PCA 1 1HB PCA 1 -15.770 -0.866 0.444
4 HB3 PCA 1 2HB PCA 1 -15.865 -2.518 0.383
5 HG2 PCA 1 1HG PCA 1 -15.995 -1.021 2.861
6 HG3 PCA 1 2HG PCA 1 -16.002 -2.645 2.535
7 H TRP 2 H TRP 2 -12.896 0.317 0.839
8 HA TRP 2 HA TRP 2 -12.455 0.779 -2.039
9 HB2 TRP 2 2HB TRP 2 -13.227 2.744 0.119
10 HB3 TRP 2 3HB TRP 2 -12.673 3.231 -1.478
11 HD1 TRP 2 HD1 TRP 2 -15.695 1.851 0.348
12 HE1 TRP 2 HE1 TRP 2 -17.715 1.830 -1.243
13 HE3 TRP 2 HE3 TRP 2 -13.303 2.987 -4.037
14 HZ2 TRP 2 HZ2 TRP 2 -18.232 2.239 -3.984
15 HZ3 TRP 2 HZ3 TRP 2 -14.638 3.151 -6.095
16 HH2 TRP 2 HH2 TRP 2 -17.052 2.784 -6.068
17 H CYS 3 H CYS 3 -11.159 1.100 1.197
18 HA CYS 3 HA CYS 3 -8.735 2.408 0.356
19 HB2 CYS 3 2HB CYS 3 -8.072 2.294 2.692
20 HB3 CYS 3 3HB CYS 3 -9.731 2.867 2.569
21 H ALA 4 H ALA 4 -6.609 1.545 0.670
22 HA ALA 4 HA ALA 4 -6.382 -1.202 -0.222
23 HB1 ALA 4 3HB ALA 4 -4.246 0.876 0.276
24 HB2 ALA 4 1HB ALA 4 -5.039 0.565 -1.267
25 HB3 ALA 4 2HB ALA 4 -4.017 -0.674 -0.540
26 H GLU 5 H GLU 5 -6.161 -2.869 1.109
27 HA GLU 5 HA GLU 5 -5.509 -2.420 3.907
28 HB2 GLU 5 2HB GLU 5 -6.290 -4.710 4.276
29 HB3 GLU 5 3HB GLU 5 -7.471 -3.784 3.366
30 HG2 GLU 5 2HG GLU 5 -6.570 -4.875 1.289
31 HG3 GLU 5 3HG GLU 5 -5.624 -5.926 2.337
32 H GLU 6 H GLU 6 -4.477 -5.118 4.369
33 HA GLU 6 HA GLU 6 -1.688 -4.565 3.861
34 HB2 GLU 6 2HB GLU 6 -1.296 -6.635 5.246
35 HB3 GLU 6 3HB GLU 6 -2.160 -5.344 6.059
36 HG2 GLU 6 2HG GLU 6 -4.271 -6.537 5.709
37 HG3 GLU 6 3HG GLU 6 -3.400 -7.832 4.889
38 H GLY 7 H GLY 7 -0.759 -5.090 2.040
39 HA2 GLY 7 2HA GLY 7 0.177 -6.798 0.627
40 HA3 GLY 7 3HA GLY 7 -1.289 -7.739 0.859
41 H GLU 8 H GLU 8 -2.037 -4.507 0.385
42 HA GLU 8 HA GLU 8 -2.550 -4.942 -2.484
43 HB2 GLU 8 2HB GLU 8 -4.177 -3.508 -0.387
44 HB3 GLU 8 3HB GLU 8 -4.421 -3.221 -2.103
45 HG2 GLU 8 2HG GLU 8 -4.560 -5.979 -0.930
46 HG3 GLU 8 3HG GLU 8 -5.950 -4.898 -0.941
47 H SER 9 H SER 9 -2.572 -2.987 -3.822
48 HA SER 9 HA SER 9 -0.302 -1.316 -3.236
49 HB2 SER 9 2HB SER 9 -0.762 -0.366 -5.501
50 HB3 SER 9 3HB SER 9 -0.568 -2.117 -5.489
51 HG SER 9 HG SER 9 -2.753 -0.601 -6.138
52 H CYS 10 H CYS 10 -0.265 0.706 -2.526
53 HA CYS 10 HA CYS 10 -2.828 2.033 -1.996
54 HB2 CYS 10 2HB CYS 10 -1.625 3.360 -0.335
55 HB3 CYS 10 3HB CYS 10 -1.361 1.642 -0.057
56 H GLU 11 H GLU 11 -1.576 1.988 -4.620
57 HA GLU 11 HA GLU 11 -0.541 4.655 -5.085
58 HB2 GLU 11 2HB GLU 11 -0.257 3.937 -7.403
59 HB3 GLU 11 3HB GLU 11 0.422 2.755 -6.296
60 HG2 GLU 11 2HG GLU 11 -0.651 1.284 -7.627
61 HG3 GLU 11 3HG GLU 11 -2.050 1.718 -6.645
62 H VAL 12 H VAL 12 -3.590 3.293 -4.839
63 HA VAL 12 HA VAL 12 -4.789 5.464 -6.417
64 HB VAL 12 HB VAL 12 -5.137 3.268 -7.503
65 HG11 VAL 12 1HG1 VAL 12 -5.286 1.551 -6.028
66 HG12 VAL 12 2HG1 VAL 12 -7.008 1.839 -6.281
67 HG13 VAL 12 3HG1 VAL 12 -6.205 2.488 -4.852
68 HG21 VAL 12 3HG2 VAL 12 -7.638 3.400 -7.696
69 HG22 VAL 12 1HG2 VAL 12 -6.758 4.897 -8.003
70 HG23 VAL 12 2HG2 VAL 12 -7.584 4.661 -6.464
71 H TYR 13 H TYR 13 -4.969 3.422 -3.556
72 HA TYR 13 HA TYR 13 -6.482 5.519 -2.185
73 HB2 TYR 13 2HB TYR 13 -7.226 2.631 -2.426
74 HB3 TYR 13 3HB TYR 13 -7.585 3.487 -0.947
75 HD1 TYR 13 HD2 TYR 13 -8.213 3.471 -4.594
76 HD2 TYR 13 HD1 TYR 13 -9.427 4.969 -0.799
77 HE1 TYR 13 HE2 TYR 13 -10.258 4.371 -5.613
78 HE2 TYR 13 HE1 TYR 13 -11.479 5.870 -1.809
79 HH TYR 13 HH TYR 13 -12.529 5.019 -4.917
80 HA PRO 14 HA PRO 14 -3.490 5.006 1.077
81 HB2 PRO 14 2HB PRO 14 -4.976 5.669 3.270
82 HB3 PRO 14 3HB PRO 14 -4.436 6.868 2.077
83 HG2 PRO 14 2HG PRO 14 -7.098 5.542 2.346
84 HG3 PRO 14 3HG PRO 14 -6.715 7.246 2.017
85 HD2 PRO 14 2HD PRO 14 -7.436 5.533 0.067
86 HD3 PRO 14 3HD PRO 14 -6.292 6.853 -0.209
87 H CYS 15 H CYS 15 -3.509 4.072 3.554
88 HA CYS 15 HA CYS 15 -4.127 1.267 3.268
89 HB2 CYS 15 2HB CYS 15 -2.951 2.694 5.659
90 HB3 CYS 15 3HB CYS 15 -2.939 0.970 5.357
91 H CYS 16 H CYS 16 -5.029 0.187 5.451
92 HA CYS 16 HA CYS 16 -7.521 1.630 6.072
93 HB2 CYS 16 2HB CYS 16 -7.164 -1.359 5.913
94 HB3 CYS 16 3HB CYS 16 -8.679 -0.491 6.142
95 H ASP 17 H ASP 17 -5.461 -0.983 7.406
96 HA ASP 17 HA ASP 17 -6.468 -0.498 10.082
97 HB2 ASP 17 2HB ASP 17 -4.506 -2.487 8.943
98 HB3 ASP 17 3HB ASP 17 -4.842 -2.371 10.667
99 H GLY 18 H GLY 18 -4.512 1.360 8.469
100 HA2 GLY 18 2HA GLY 18 -3.150 3.065 9.340
101 HA3 GLY 18 3HA GLY 18 -2.947 2.124 10.811
102 H LEU 19 H LEU 19 -2.438 0.976 7.532
103 HA LEU 19 HA LEU 19 0.223 0.065 8.157
104 HB2 LEU 19 2HB LEU 19 -1.265 -0.037 5.545
105 HB3 LEU 19 3HB LEU 19 0.155 -0.965 5.956
106 HG LEU 19 HG LEU 19 -2.190 -1.352 7.724
107 HD11 LEU 19 1HD1 LEU 19 -2.156 -2.488 4.931
108 HD12 LEU 19 2HD1 LEU 19 -3.241 -1.215 5.493
109 HD13 LEU 19 3HD1 LEU 19 -3.335 -2.827 6.197
110 HD21 LEU 19 3HD2 LEU 19 -1.294 -3.413 8.051
111 HD22 LEU 19 1HD2 LEU 19 0.165 -2.553 7.565
112 HD23 LEU 19 2HD2 LEU 19 -0.706 -3.544 6.395
113 H ILE 20 H ILE 20 1.956 0.392 6.426
114 HA ILE 20 HA ILE 20 2.055 3.243 5.679
115 HB ILE 20 HB ILE 20 4.331 1.412 6.488
116 HG12 ILE 20 2HG1 ILE 20 4.456 3.542 8.171
117 HG13 ILE 20 3HG1 ILE 20 2.717 3.453 7.899
118 HG21 ILE 20 1HG2 ILE 20 4.365 4.209 5.386
119 HG22 ILE 20 2HG2 ILE 20 5.317 2.808 4.888
120 HG23 ILE 20 3HG2 ILE 20 5.664 3.610 6.423
121 HD11 ILE 20 3HD1 ILE 20 3.501 2.207 9.887
122 HD12 ILE 20 1HD1 ILE 20 4.402 1.138 8.813
123 HD13 ILE 20 2HD1 ILE 20 2.643 1.211 8.713
124 H CYS 21 H CYS 21 2.824 3.813 3.687
125 HA CYS 21 HA CYS 21 2.662 1.820 1.603
126 HB2 CYS 21 2HB CYS 21 3.020 4.808 1.664
127 HB3 CYS 21 3HB CYS 21 3.215 3.905 0.163
128 H TYR 22 H TYR 22 4.353 0.500 1.494
129 HA TYR 22 HA TYR 22 7.053 1.370 1.931
130 HB2 TYR 22 2HB TYR 22 5.727 -1.236 1.299
131 HB3 TYR 22 3HB TYR 22 7.470 -1.079 1.103
132 HD1 TYR 22 HD1 TYR 22 8.913 -0.734 3.026
133 HD2 TYR 22 HD2 TYR 22 4.714 -1.222 3.500
134 HE1 TYR 22 HE1 TYR 22 9.241 -1.138 5.427
135 HE2 TYR 22 HE2 TYR 22 5.028 -1.631 5.906
136 HH TYR 22 HH TYR 22 7.946 -0.993 7.514
137 HA PRO 23 HA PRO 23 7.981 2.413 -2.303
138 HB2 PRO 23 2HB PRO 23 10.708 2.232 -2.210
139 HB3 PRO 23 3HB PRO 23 9.806 3.572 -1.473
140 HG2 PRO 23 2HG PRO 23 10.978 1.155 -0.181
141 HG3 PRO 23 3HG PRO 23 10.957 2.839 0.381
142 HD2 PRO 23 2HD PRO 23 9.234 0.956 1.323
143 HD3 PRO 23 3HD PRO 23 8.826 2.674 1.216
144 H THR 24 H THR 24 6.906 0.131 -2.528
145 HA THR 24 HA THR 24 8.783 -1.917 -3.444
146 HB THR 24 HB THR 24 6.883 -3.432 -3.508
147 HG1 THR 24 HG1 THR 24 5.090 -1.593 -2.437
148 HG21 THR 24 3HG2 THR 24 6.234 -3.422 -1.150
149 HG22 THR 24 1HG2 THR 24 6.812 -1.760 -0.989
150 HG23 THR 24 2HG2 THR 24 7.952 -3.065 -1.325
151 H PHE 25 H PHE 25 8.594 -2.897 -5.515
152 HA PHE 25 HA PHE 25 7.487 -1.073 -7.528
153 HB2 PHE 25 2HB PHE 25 9.962 -2.634 -7.372
154 HB3 PHE 25 3HB PHE 25 9.144 -2.756 -8.921
155 HD1 PHE 25 HD2 PHE 25 10.509 -0.314 -6.474
156 HD2 PHE 25 HD1 PHE 25 9.298 -1.041 -10.493
157 HE1 PHE 25 HE2 PHE 25 11.454 1.855 -7.150
158 HE2 PHE 25 HE1 PHE 25 10.236 1.127 -11.172
159 HZ PHE 25 HZ PHE 25 11.319 2.578 -9.500
160 HA PRO 26 HA PRO 26 7.121 -1.086 -9.738
161 HB2 PRO 26 2HB PRO 26 4.451 -1.059 -10.842
162 HB3 PRO 26 3HB PRO 26 5.985 -1.336 -11.682
163 HG2 PRO 26 2HG PRO 26 4.072 -3.247 -11.342
164 HG3 PRO 26 3HG PRO 26 5.799 -3.591 -11.560
165 HD2 PRO 26 2HD PRO 26 4.180 -3.574 -9.050
166 HD3 PRO 26 3HD PRO 26 5.492 -4.666 -9.543
167 H GLU 27 H GLU 27 4.053 -1.704 -8.053
168 HA GLU 27 HA GLU 27 3.947 1.139 -7.321
169 HB2 GLU 27 2HB GLU 27 1.523 0.774 -6.840
170 HB3 GLU 27 3HB GLU 27 1.961 0.579 -8.527
171 HG2 GLU 27 2HG GLU 27 1.772 -1.812 -6.740
172 HG3 GLU 27 3HG GLU 27 0.315 -1.087 -7.412
173 HA PRO 28 HA PRO 28 4.851 0.134 -3.074
174 HB2 PRO 28 2HB PRO 28 3.388 2.070 -1.770
175 HB3 PRO 28 3HB PRO 28 4.959 2.364 -2.546
176 HG2 PRO 28 2HG PRO 28 2.222 2.928 -3.564
177 HG3 PRO 28 3HG PRO 28 3.692 3.911 -3.685
178 HD2 PRO 28 2HD PRO 28 2.797 2.457 -5.758
179 HD3 PRO 28 3HD PRO 28 4.530 2.684 -5.452
180 H ILE 29 H ILE 29 3.977 -0.721 -1.147
181 HA ILE 29 HA ILE 29 1.144 -1.541 -1.299
182 HB ILE 29 HB ILE 29 3.306 -3.242 -0.048
183 HG12 ILE 29 2HG1 ILE 29 3.932 -3.099 -2.384
184 HG13 ILE 29 3HG1 ILE 29 3.256 -4.687 -2.074
185 HG21 ILE 29 1HG2 ILE 29 1.674 -5.069 -0.284
186 HG22 ILE 29 2HG2 ILE 29 0.507 -3.922 -0.942
187 HG23 ILE 29 3HG2 ILE 29 1.072 -3.749 0.720
188 HD11 ILE 29 3HD1 ILE 29 1.202 -4.080 -3.190
189 HD12 ILE 29 1HD1 ILE 29 2.573 -3.732 -4.246
190 HD13 ILE 29 2HD1 ILE 29 1.761 -2.418 -3.389
191 H CYS 30 H CYS 30 0.073 -1.841 0.722
192 HA CYS 30 HA CYS 30 1.015 -0.028 2.789
193 HB2 CYS 30 2HB CYS 30 -1.587 -1.289 2.051
194 HB3 CYS 30 3HB CYS 30 -1.355 -0.821 3.723
195 H GLY 31 H GLY 31 2.144 -0.747 4.486
196 HA2 GLY 31 2HA GLY 31 1.449 -3.263 5.772
197 HA3 GLY 31 3HA GLY 31 3.060 -3.182 5.091
198 H VAL 32 H VAL 32 2.067 -3.450 7.885
199 HA VAL 32 HA VAL 32 3.055 -1.003 9.137
200 HB VAL 32 HB VAL 32 2.476 -2.313 11.317
201 HG11 VAL 32 1HG1 VAL 32 0.348 -1.362 11.368
202 HG12 VAL 32 2HG1 VAL 32 0.105 -1.584 9.639
203 HG13 VAL 32 3HG1 VAL 32 1.236 -0.362 10.220
204 HG21 VAL 32 3HG2 VAL 32 2.148 -4.511 10.210
205 HG22 VAL 32 1HG2 VAL 32 0.741 -3.847 9.380
206 HG23 VAL 32 2HG2 VAL 32 0.742 -3.985 11.137
Start of MODEL 4
1 H1 PCA 1 HN PCA 1 -15.408 -2.651 0.354
2 HA PCA 1 HA PCA 1 -14.530 -0.672 1.728
3 HB2 PCA 1 1HB PCA 1 -11.893 -1.832 2.080
4 HB3 PCA 1 2HB PCA 1 -12.983 -1.103 3.090
5 HG2 PCA 1 1HG PCA 1 -12.621 -3.980 2.959
6 HG3 PCA 1 2HG PCA 1 -13.654 -3.019 3.828
7 H TRP 2 H TRP 2 -13.294 0.976 0.820
8 HA TRP 2 HA TRP 2 -12.411 0.490 -1.934
9 HB2 TRP 2 2HB TRP 2 -13.211 3.007 -0.475
10 HB3 TRP 2 3HB TRP 2 -12.480 3.027 -2.076
11 HD1 TRP 2 HD1 TRP 2 -15.743 2.323 -0.287
12 HE1 TRP 2 HE1 TRP 2 -17.605 1.943 -2.021
13 HE3 TRP 2 HE3 TRP 2 -12.883 2.098 -4.529
14 HZ2 TRP 2 HZ2 TRP 2 -17.835 1.593 -4.808
15 HZ3 TRP 2 HZ3 TRP 2 -14.008 1.738 -6.688
16 HH2 TRP 2 HH2 TRP 2 -16.433 1.491 -6.822
17 H CYS 3 H CYS 3 -11.155 1.109 1.175
18 HA CYS 3 HA CYS 3 -8.725 2.400 0.334
19 HB2 CYS 3 2HB CYS 3 -8.068 2.287 2.676
20 HB3 CYS 3 3HB CYS 3 -9.723 2.869 2.543
21 H ALA 4 H ALA 4 -6.599 1.529 0.689
22 HA ALA 4 HA ALA 4 -6.372 -1.220 -0.203
23 HB1 ALA 4 3HB ALA 4 -4.261 0.888 0.283
24 HB2 ALA 4 1HB ALA 4 -5.020 0.510 -1.265
25 HB3 ALA 4 2HB ALA 4 -3.986 -0.684 -0.475
26 H GLU 5 H GLU 5 -6.152 -2.883 1.136
27 HA GLU 5 HA GLU 5 -5.504 -2.421 3.933
28 HB2 GLU 5 2HB GLU 5 -6.300 -4.702 4.316
29 HB3 GLU 5 3HB GLU 5 -7.474 -3.777 3.399
30 HG2 GLU 5 2HG GLU 5 -6.573 -4.887 1.330
31 HG3 GLU 5 3HG GLU 5 -5.642 -5.938 2.390
32 H GLU 6 H GLU 6 -4.484 -5.120 4.414
33 HA GLU 6 HA GLU 6 -1.694 -4.587 3.889
34 HB2 GLU 6 2HB GLU 6 -1.307 -6.651 5.285
35 HB3 GLU 6 3HB GLU 6 -2.157 -5.347 6.095
36 HG2 GLU 6 2HG GLU 6 -4.280 -6.528 5.766
37 HG3 GLU 6 3HG GLU 6 -3.422 -7.835 4.951
38 H GLY 7 H GLY 7 -0.781 -5.128 2.064
39 HA2 GLY 7 2HA GLY 7 0.133 -6.855 0.658
40 HA3 GLY 7 3HA GLY 7 -1.343 -7.777 0.895
41 H GLU 8 H GLU 8 -2.031 -4.527 0.419
42 HA GLU 8 HA GLU 8 -2.559 -4.953 -2.448
43 HB2 GLU 8 2HB GLU 8 -4.178 -3.520 -0.346
44 HB3 GLU 8 3HB GLU 8 -4.419 -3.222 -2.060
45 HG2 GLU 8 2HG GLU 8 -4.574 -5.987 -0.905
46 HG3 GLU 8 3HG GLU 8 -5.959 -4.898 -0.906
47 H SER 9 H SER 9 -2.557 -3.004 -3.781
48 HA SER 9 HA SER 9 -0.279 -1.346 -3.182
49 HB2 SER 9 2HB SER 9 -0.692 -0.417 -5.458
50 HB3 SER 9 3HB SER 9 -0.550 -2.172 -5.432
51 HG SER 9 HG SER 9 -2.347 -1.282 -6.686
52 H CYS 10 H CYS 10 -0.233 0.691 -2.499
53 HA CYS 10 HA CYS 10 -2.792 2.032 -1.990
54 HB2 CYS 10 2HB CYS 10 -1.604 3.360 -0.327
55 HB3 CYS 10 3HB CYS 10 -1.327 1.647 -0.041
56 H GLU 11 H GLU 11 -1.572 1.963 -4.610
57 HA GLU 11 HA GLU 11 -0.506 4.616 -5.099
58 HB2 GLU 11 2HB GLU 11 -0.231 3.877 -7.410
59 HB3 GLU 11 3HB GLU 11 0.441 2.698 -6.295
60 HG2 GLU 11 2HG GLU 11 -0.644 1.228 -7.617
61 HG3 GLU 11 3HG GLU 11 -2.036 1.674 -6.630
62 H VAL 12 H VAL 12 -3.566 3.257 -4.861
63 HA VAL 12 HA VAL 12 -4.752 5.435 -6.441
64 HB VAL 12 HB VAL 12 -5.107 3.239 -7.524
65 HG11 VAL 12 1HG1 VAL 12 -6.168 2.464 -4.872
66 HG12 VAL 12 2HG1 VAL 12 -5.277 1.516 -6.062
67 HG13 VAL 12 3HG1 VAL 12 -6.997 1.830 -6.291
68 HG21 VAL 12 3HG2 VAL 12 -7.602 3.383 -7.734
69 HG22 VAL 12 1HG2 VAL 12 -6.721 4.885 -8.020
70 HG23 VAL 12 2HG2 VAL 12 -7.558 4.631 -6.488
71 H TYR 13 H TYR 13 -4.953 3.395 -3.578
72 HA TYR 13 HA TYR 13 -6.464 5.503 -2.218
73 HB2 TYR 13 2HB TYR 13 -7.205 2.611 -2.447
74 HB3 TYR 13 3HB TYR 13 -7.569 3.476 -0.974
75 HD1 TYR 13 HD1 TYR 13 -8.192 3.427 -4.621
76 HD2 TYR 13 HD2 TYR 13 -9.401 4.973 -0.844
77 HE1 TYR 13 HE1 TYR 13 -10.236 4.318 -5.650
78 HE2 TYR 13 HE2 TYR 13 -11.450 5.868 -1.864
79 HH TYR 13 HH TYR 13 -12.500 4.985 -4.966
80 HA PRO 14 HA PRO 14 -3.477 5.000 1.050
81 HB2 PRO 14 2HB PRO 14 -4.970 5.667 3.241
82 HB3 PRO 14 3HB PRO 14 -4.426 6.864 2.050
83 HG2 PRO 14 2HG PRO 14 -7.089 5.545 2.313
84 HG3 PRO 14 3HG PRO 14 -6.701 7.246 1.978
85 HD2 PRO 14 2HD PRO 14 -7.421 5.525 0.034
86 HD3 PRO 14 3HD PRO 14 -6.277 6.843 -0.246
87 H CYS 15 H CYS 15 -3.516 4.074 3.539
88 HA CYS 15 HA CYS 15 -4.137 1.268 3.248
89 HB2 CYS 15 2HB CYS 15 -2.949 2.692 5.634
90 HB3 CYS 15 3HB CYS 15 -2.956 0.966 5.343
91 H CYS 16 H CYS 16 -5.047 0.187 5.419
92 HA CYS 16 HA CYS 16 -7.536 1.633 6.031
93 HB2 CYS 16 2HB CYS 16 -7.170 -1.357 5.898
94 HB3 CYS 16 3HB CYS 16 -8.688 -0.494 6.128
95 H ASP 17 H ASP 17 -5.462 -0.949 7.397
96 HA ASP 17 HA ASP 17 -6.471 -0.444 10.066
97 HB2 ASP 17 2HB ASP 17 -4.471 -2.413 8.957
98 HB3 ASP 17 3HB ASP 17 -4.824 -2.284 10.677
99 H GLY 18 H GLY 18 -4.522 1.401 8.409
100 HA2 GLY 18 2HA GLY 18 -3.188 3.144 9.249
101 HA3 GLY 18 3HA GLY 18 -2.982 2.240 10.742
102 H LEU 19 H LEU 19 -2.453 0.969 7.517
103 HA LEU 19 HA LEU 19 0.210 0.104 8.169
104 HB2 LEU 19 2HB LEU 19 -1.248 -0.033 5.540
105 HB3 LEU 19 3HB LEU 19 0.166 -0.956 5.981
106 HG LEU 19 HG LEU 19 -2.197 -1.315 7.732
107 HD11 LEU 19 1HD1 LEU 19 -3.231 -1.211 5.492
108 HD12 LEU 19 2HD1 LEU 19 -3.330 -2.813 6.217
109 HD13 LEU 19 3HD1 LEU 19 -2.142 -2.492 4.955
110 HD21 LEU 19 3HD2 LEU 19 0.166 -2.525 7.594
111 HD22 LEU 19 1HD2 LEU 19 -0.718 -3.537 6.452
112 HD23 LEU 19 2HD2 LEU 19 -1.296 -3.365 8.107
113 H ILE 20 H ILE 20 2.000 0.426 6.574
114 HA ILE 20 HA ILE 20 2.145 3.256 5.766
115 HB ILE 20 HB ILE 20 4.390 1.352 6.506
116 HG12 ILE 20 2HG1 ILE 20 4.032 3.871 8.001
117 HG13 ILE 20 3HG1 ILE 20 2.731 2.705 8.206
118 HG21 ILE 20 1HG2 ILE 20 5.769 3.527 6.433
119 HG22 ILE 20 2HG2 ILE 20 4.453 4.167 5.443
120 HG23 ILE 20 3HG2 ILE 20 5.361 2.755 4.899
121 HD11 ILE 20 3HD1 ILE 20 5.653 2.193 8.714
122 HD12 ILE 20 1HD1 ILE 20 4.348 1.027 8.926
123 HD13 ILE 20 2HD1 ILE 20 4.414 2.470 9.939
124 H CYS 21 H CYS 21 2.902 3.806 3.754
125 HA CYS 21 HA CYS 21 2.672 1.804 1.679
126 HB2 CYS 21 2HB CYS 21 3.033 4.788 1.730
127 HB3 CYS 21 3HB CYS 21 3.236 3.888 0.228
128 H TYR 22 H TYR 22 4.343 0.476 1.510
129 HA TYR 22 HA TYR 22 7.057 1.307 1.937
130 HB2 TYR 22 2HB TYR 22 5.693 -1.271 1.281
131 HB3 TYR 22 3HB TYR 22 7.434 -1.133 1.065
132 HD1 TYR 22 HD1 TYR 22 8.909 -0.849 2.968
133 HD2 TYR 22 HD2 TYR 22 4.710 -1.263 3.501
134 HE1 TYR 22 HE1 TYR 22 9.264 -1.294 5.360
135 HE2 TYR 22 HE2 TYR 22 5.051 -1.713 5.896
136 HH TYR 22 HH TYR 22 7.998 -1.146 7.470
137 HA PRO 23 HA PRO 23 7.957 2.402 -2.292
138 HB2 PRO 23 2HB PRO 23 10.682 2.228 -2.215
139 HB3 PRO 23 3HB PRO 23 9.784 3.554 -1.454
140 HG2 PRO 23 2HG PRO 23 10.970 1.122 -0.205
141 HG3 PRO 23 3HG PRO 23 10.947 2.796 0.382
142 HD2 PRO 23 2HD PRO 23 9.235 0.891 1.303
143 HD3 PRO 23 3HD PRO 23 8.826 2.610 1.234
144 H THR 24 H THR 24 6.882 0.131 -2.548
145 HA THR 24 HA THR 24 8.752 -1.914 -3.480
146 HB THR 24 HB THR 24 6.854 -3.427 -3.555
147 HG1 THR 24 HG1 THR 24 5.076 -2.347 -4.126
148 HG21 THR 24 3HG2 THR 24 6.745 -1.770 -1.029
149 HG22 THR 24 1HG2 THR 24 7.912 -3.054 -1.361
150 HG23 THR 24 2HG2 THR 24 6.197 -3.440 -1.206
151 H PHE 25 H PHE 25 8.585 -2.857 -5.563
152 HA PHE 25 HA PHE 25 7.491 -1.008 -7.555
153 HB2 PHE 25 2HB PHE 25 9.946 -2.604 -7.412
154 HB3 PHE 25 3HB PHE 25 9.133 -2.683 -8.969
155 HD1 PHE 25 HD2 PHE 25 10.520 -0.311 -6.465
156 HD2 PHE 25 HD1 PHE 25 9.323 -0.939 -10.504
157 HE1 PHE 25 HE2 PHE 25 11.501 1.858 -7.093
158 HE2 PHE 25 HE1 PHE 25 10.297 1.225 -11.135
159 HZ PHE 25 HZ PHE 25 11.390 2.629 -9.430
160 HA PRO 26 HA PRO 26 7.140 -0.980 -9.755
161 HB2 PRO 26 2HB PRO 26 4.503 -0.913 -10.918
162 HB3 PRO 26 3HB PRO 26 6.049 -1.223 -11.724
163 HG2 PRO 26 2HG PRO 26 4.084 -3.094 -11.422
164 HG3 PRO 26 3HG PRO 26 5.805 -3.473 -11.619
165 HD2 PRO 26 2HD PRO 26 4.156 -3.430 -9.130
166 HD3 PRO 26 3HD PRO 26 5.449 -4.549 -9.612
167 H GLU 27 H GLU 27 4.115 -1.640 -8.057
168 HA GLU 27 HA GLU 27 3.941 1.201 -7.322
169 HB2 GLU 27 2HB GLU 27 1.491 0.672 -6.822
170 HB3 GLU 27 3HB GLU 27 1.966 0.735 -8.511
171 HG2 GLU 27 2HG GLU 27 2.213 -1.837 -8.288
172 HG3 GLU 27 3HG GLU 27 1.222 -1.637 -6.843
173 HA PRO 28 HA PRO 28 4.825 0.133 -3.086
174 HB2 PRO 28 2HB PRO 28 3.360 2.055 -1.766
175 HB3 PRO 28 3HB PRO 28 4.935 2.355 -2.536
176 HG2 PRO 28 2HG PRO 28 2.200 2.930 -3.557
177 HG3 PRO 28 3HG PRO 28 3.670 3.917 -3.656
178 HD2 PRO 28 2HD PRO 28 2.788 2.488 -5.752
179 HD3 PRO 28 3HD PRO 28 4.520 2.710 -5.434
180 H ILE 29 H ILE 29 3.951 -0.728 -1.163
181 HA ILE 29 HA ILE 29 1.124 -1.568 -1.318
182 HB ILE 29 HB ILE 29 3.304 -3.243 -0.060
183 HG12 ILE 29 2HG1 ILE 29 3.930 -3.119 -2.393
184 HG13 ILE 29 3HG1 ILE 29 3.249 -4.706 -2.081
185 HG21 ILE 29 1HG2 ILE 29 0.512 -3.965 -0.942
186 HG22 ILE 29 2HG2 ILE 29 1.076 -3.770 0.717
187 HG23 ILE 29 3HG2 ILE 29 1.695 -5.090 -0.275
188 HD11 ILE 29 3HD1 ILE 29 1.189 -4.077 -3.191
189 HD12 ILE 29 1HD1 ILE 29 2.564 -3.770 -4.252
190 HD13 ILE 29 2HD1 ILE 29 1.778 -2.431 -3.413
191 H CYS 30 H CYS 30 0.062 -1.895 0.717
192 HA CYS 30 HA CYS 30 0.989 -0.059 2.773
193 HB2 CYS 30 2HB CYS 30 -1.610 -1.326 2.041
194 HB3 CYS 30 3HB CYS 30 -1.379 -0.851 3.711
195 H GLY 31 H GLY 31 2.111 -0.759 4.472
196 HA2 GLY 31 2HA GLY 31 1.422 -3.255 5.794
197 HA3 GLY 31 3HA GLY 31 3.028 -3.196 5.096
198 H VAL 32 H VAL 32 2.018 -3.377 7.914
199 HA VAL 32 HA VAL 32 3.012 -0.910 9.109
200 HB VAL 32 HB VAL 32 2.501 -2.205 11.316
201 HG11 VAL 32 1HG1 VAL 32 0.339 -1.316 11.380
202 HG12 VAL 32 2HG1 VAL 32 0.099 -1.536 9.651
203 HG13 VAL 32 3HG1 VAL 32 1.204 -0.293 10.235
204 HG21 VAL 32 3HG2 VAL 32 2.202 -4.423 10.234
205 HG22 VAL 32 1HG2 VAL 32 0.762 -3.799 9.430
206 HG23 VAL 32 2HG2 VAL 32 0.807 -3.919 11.187
Start of MODEL 5
1 H1 PCA 1 HN PCA 1 -12.086 -2.427 1.556
2 HA PCA 1 HA PCA 1 -13.803 -3.287 -0.147
3 HB2 PCA 1 1HB PCA 1 -15.673 -1.124 0.368
4 HB3 PCA 1 2HB PCA 1 -15.812 -2.766 0.212
5 HG2 PCA 1 1HG PCA 1 -15.804 -1.420 2.780
6 HG3 PCA 1 2HG PCA 1 -15.866 -3.020 2.356
7 H TRP 2 H TRP 2 -12.757 -0.033 0.710
8 HA TRP 2 HA TRP 2 -12.353 0.559 -2.148
9 HB2 TRP 2 2HB TRP 2 -13.193 2.436 0.064
10 HB3 TRP 2 3HB TRP 2 -12.626 2.988 -1.508
11 HD1 TRP 2 HD1 TRP 2 -15.595 1.241 0.159
12 HE1 TRP 2 HE1 TRP 2 -17.611 1.329 -1.436
13 HE3 TRP 2 HE3 TRP 2 -13.283 3.161 -3.988
14 HZ2 TRP 2 HZ2 TRP 2 -18.154 2.105 -4.091
15 HZ3 TRP 2 HZ3 TRP 2 -14.628 3.545 -6.013
16 HH2 TRP 2 HH2 TRP 2 -17.012 3.026 -6.060
17 H CYS 3 H CYS 3 -11.123 0.880 1.121
18 HA CYS 3 HA CYS 3 -8.700 2.217 0.327
19 HB2 CYS 3 2HB CYS 3 -8.085 2.125 2.678
20 HB3 CYS 3 3HB CYS 3 -9.751 2.666 2.519
21 H ALA 4 H ALA 4 -6.575 1.390 0.733
22 HA ALA 4 HA ALA 4 -6.271 -1.359 -0.153
23 HB1 ALA 4 3HB ALA 4 -3.864 -0.719 -0.331
24 HB2 ALA 4 1HB ALA 4 -4.292 0.882 0.280
25 HB3 ALA 4 2HB ALA 4 -4.948 0.320 -1.257
26 H GLU 5 H GLU 5 -6.123 -2.976 1.239
27 HA GLU 5 HA GLU 5 -5.415 -2.476 4.015
28 HB2 GLU 5 2HB GLU 5 -6.238 -4.738 4.446
29 HB3 GLU 5 3HB GLU 5 -7.410 -3.818 3.518
30 HG2 GLU 5 2HG GLU 5 -6.611 -4.983 1.471
31 HG3 GLU 5 3HG GLU 5 -5.579 -5.977 2.492
32 H GLU 6 H GLU 6 -4.419 -5.222 4.472
33 HA GLU 6 HA GLU 6 -1.633 -4.697 3.938
34 HB2 GLU 6 2HB GLU 6 -1.257 -6.824 5.252
35 HB3 GLU 6 3HB GLU 6 -2.074 -5.535 6.116
36 HG2 GLU 6 2HG GLU 6 -4.220 -6.668 5.772
37 HG3 GLU 6 3HG GLU 6 -3.395 -7.961 4.902
38 H GLY 7 H GLY 7 -0.879 -5.073 1.994
39 HA2 GLY 7 2HA GLY 7 0.058 -6.763 0.519
40 HA3 GLY 7 3HA GLY 7 -1.414 -7.696 0.745
41 H GLU 8 H GLU 8 -2.079 -4.413 0.442
42 HA GLU 8 HA GLU 8 -2.784 -4.730 -2.402
43 HB2 GLU 8 2HB GLU 8 -4.110 -3.137 -0.205
44 HB3 GLU 8 3HB GLU 8 -4.474 -2.890 -1.905
45 HG2 GLU 8 2HG GLU 8 -5.031 -5.378 -1.966
46 HG3 GLU 8 3HG GLU 8 -5.022 -5.292 -0.206
47 H SER 9 H SER 9 -2.648 -2.828 -3.747
48 HA SER 9 HA SER 9 -0.279 -1.271 -3.190
49 HB2 SER 9 2HB SER 9 -0.657 -0.379 -5.497
50 HB3 SER 9 3HB SER 9 -0.553 -2.137 -5.428
51 HG SER 9 HG SER 9 -2.456 -2.185 -6.286
52 H CYS 10 H CYS 10 -0.196 0.751 -2.458
53 HA CYS 10 HA CYS 10 -2.726 2.154 -1.995
54 HB2 CYS 10 2HB CYS 10 -1.533 3.477 -0.347
55 HB3 CYS 10 3HB CYS 10 -1.244 1.768 -0.054
56 H GLU 11 H GLU 11 -1.607 2.041 -4.614
57 HA GLU 11 HA GLU 11 -0.521 4.684 -5.159
58 HB2 GLU 11 2HB GLU 11 -0.213 3.892 -7.441
59 HB3 GLU 11 3HB GLU 11 0.441 2.731 -6.296
60 HG2 GLU 11 2HG GLU 11 -0.630 1.244 -7.614
61 HG3 GLU 11 3HG GLU 11 -2.030 1.702 -6.644
62 H VAL 12 H VAL 12 -3.554 3.292 -4.863
63 HA VAL 12 HA VAL 12 -4.792 5.434 -6.451
64 HB VAL 12 HB VAL 12 -5.096 3.248 -7.564
65 HG11 VAL 12 1HG1 VAL 12 -5.199 1.507 -6.113
66 HG12 VAL 12 2HG1 VAL 12 -6.928 1.755 -6.362
67 HG13 VAL 12 3HG1 VAL 12 -6.142 2.405 -4.924
68 HG21 VAL 12 3HG2 VAL 12 -7.600 3.322 -7.752
69 HG22 VAL 12 1HG2 VAL 12 -6.758 4.845 -8.036
70 HG23 VAL 12 2HG2 VAL 12 -7.574 4.565 -6.500
71 H TYR 13 H TYR 13 -4.984 3.332 -3.620
72 HA TYR 13 HA TYR 13 -6.542 5.396 -2.242
73 HB2 TYR 13 2HB TYR 13 -7.199 2.487 -2.494
74 HB3 TYR 13 3HB TYR 13 -7.591 3.331 -1.016
75 HD1 TYR 13 HD2 TYR 13 -8.195 3.303 -4.668
76 HD2 TYR 13 HD1 TYR 13 -9.473 4.758 -0.877
77 HE1 TYR 13 HE2 TYR 13 -10.261 4.146 -5.696
78 HE2 TYR 13 HE1 TYR 13 -11.546 5.600 -1.897
79 HH TYR 13 HH TYR 13 -12.552 4.727 -5.016
80 HA PRO 14 HA PRO 14 -3.552 4.970 1.032
81 HB2 PRO 14 2HB PRO 14 -5.075 5.597 3.214
82 HB3 PRO 14 3HB PRO 14 -4.556 6.808 2.024
83 HG2 PRO 14 2HG PRO 14 -7.184 5.421 2.279
84 HG3 PRO 14 3HG PRO 14 -6.839 7.130 1.940
85 HD2 PRO 14 2HD PRO 14 -7.505 5.384 -0.001
86 HD3 PRO 14 3HD PRO 14 -6.399 6.734 -0.281
87 H CYS 15 H CYS 15 -3.590 4.054 3.527
88 HA CYS 15 HA CYS 15 -4.138 1.231 3.242
89 HB2 CYS 15 2HB CYS 15 -3.002 2.689 5.633
90 HB3 CYS 15 3HB CYS 15 -2.963 0.964 5.343
91 H CYS 16 H CYS 16 -5.042 0.141 5.412
92 HA CYS 16 HA CYS 16 -7.577 1.526 5.977
93 HB2 CYS 16 2HB CYS 16 -7.100 -1.451 5.914
94 HB3 CYS 16 3HB CYS 16 -8.650 -0.644 6.132
95 H ASP 17 H ASP 17 -5.419 -0.937 7.433
96 HA ASP 17 HA ASP 17 -6.469 -0.367 10.079
97 HB2 ASP 17 2HB ASP 17 -4.451 -2.357 9.045
98 HB3 ASP 17 3HB ASP 17 -4.802 -2.170 10.759
99 H GLY 18 H GLY 18 -4.540 1.444 8.374
100 HA2 GLY 18 2HA GLY 18 -3.217 3.223 9.150
101 HA3 GLY 18 3HA GLY 18 -3.017 2.379 10.679
102 H LEU 19 H LEU 19 -2.447 1.035 7.487
103 HA LEU 19 HA LEU 19 0.201 0.173 8.191
104 HB2 LEU 19 2HB LEU 19 -1.231 0.000 5.550
105 HB3 LEU 19 3HB LEU 19 0.184 -0.914 6.010
106 HG LEU 19 HG LEU 19 -2.209 -1.247 7.735
107 HD11 LEU 19 1HD1 LEU 19 -3.201 -1.218 5.485
108 HD12 LEU 19 2HD1 LEU 19 -3.271 -2.816 6.226
109 HD13 LEU 19 3HD1 LEU 19 -2.068 -2.476 4.984
110 HD21 LEU 19 3HD2 LEU 19 -1.264 -3.228 8.241
111 HD22 LEU 19 1HD2 LEU 19 0.191 -2.452 7.623
112 HD23 LEU 19 2HD2 LEU 19 -0.742 -3.527 6.585
113 H ILE 20 H ILE 20 2.016 0.460 6.621
114 HA ILE 20 HA ILE 20 2.205 3.280 5.796
115 HB ILE 20 HB ILE 20 4.413 1.329 6.527
116 HG12 ILE 20 2HG1 ILE 20 4.098 3.855 8.026
117 HG13 ILE 20 3HG1 ILE 20 2.787 2.699 8.239
118 HG21 ILE 20 1HG2 ILE 20 4.531 4.146 5.475
119 HG22 ILE 20 2HG2 ILE 20 5.407 2.717 4.920
120 HG23 ILE 20 3HG2 ILE 20 5.837 3.475 6.457
121 HD11 ILE 20 3HD1 ILE 20 4.400 1.005 8.943
122 HD12 ILE 20 1HD1 ILE 20 4.473 2.443 9.963
123 HD13 ILE 20 2HD1 ILE 20 5.709 2.169 8.734
124 H CYS 21 H CYS 21 2.979 3.818 3.782
125 HA CYS 21 HA CYS 21 2.704 1.822 1.706
126 HB2 CYS 21 2HB CYS 21 3.127 4.798 1.760
127 HB3 CYS 21 3HB CYS 21 3.317 3.897 0.257
128 H TYR 22 H TYR 22 4.350 0.465 1.513
129 HA TYR 22 HA TYR 22 7.080 1.243 1.951
130 HB2 TYR 22 2HB TYR 22 5.667 -1.306 1.289
131 HB3 TYR 22 3HB TYR 22 7.411 -1.201 1.062
132 HD1 TYR 22 HD1 TYR 22 8.901 -0.958 2.957
133 HD2 TYR 22 HD2 TYR 22 4.698 -1.282 3.516
134 HE1 TYR 22 HE1 TYR 22 9.263 -1.420 5.344
135 HE2 TYR 22 HE2 TYR 22 5.046 -1.748 5.907
136 HH TYR 22 HH TYR 22 6.819 -2.608 7.377
137 HA PRO 23 HA PRO 23 7.998 2.342 -2.273
138 HB2 PRO 23 2HB PRO 23 10.721 2.133 -2.192
139 HB3 PRO 23 3HB PRO 23 9.838 3.468 -1.429
140 HG2 PRO 23 2HG PRO 23 10.990 1.018 -0.186
141 HG3 PRO 23 3HG PRO 23 10.989 2.691 0.406
142 HD2 PRO 23 2HD PRO 23 9.251 0.804 1.317
143 HD3 PRO 23 3HD PRO 23 8.863 2.528 1.254
144 H THR 24 H THR 24 6.894 0.093 -2.545
145 HA THR 24 HA THR 24 8.736 -1.979 -3.476
146 HB THR 24 HB THR 24 6.820 -3.466 -3.555
147 HG1 THR 24 HG1 THR 24 5.047 -1.585 -2.510
148 HG21 THR 24 3HG2 THR 24 7.876 -3.085 -1.354
149 HG22 THR 24 1HG2 THR 24 6.163 -3.483 -1.214
150 HG23 THR 24 2HG2 THR 24 6.699 -1.811 -1.030
151 H PHE 25 H PHE 25 8.558 -2.914 -5.562
152 HA PHE 25 HA PHE 25 7.496 -1.044 -7.551
153 HB2 PHE 25 2HB PHE 25 9.929 -2.675 -7.406
154 HB3 PHE 25 3HB PHE 25 9.118 -2.739 -8.964
155 HD1 PHE 25 HD2 PHE 25 10.535 -0.393 -6.453
156 HD2 PHE 25 HD1 PHE 25 9.333 -0.994 -10.496
157 HE1 PHE 25 HE2 PHE 25 11.545 1.764 -7.074
158 HE2 PHE 25 HE1 PHE 25 10.338 1.160 -11.119
159 HZ PHE 25 HZ PHE 25 11.448 2.543 -9.409
160 HA PRO 26 HA PRO 26 7.148 -1.005 -9.749
161 HB2 PRO 26 2HB PRO 26 4.514 -0.899 -10.915
162 HB3 PRO 26 3HB PRO 26 6.057 -1.227 -11.721
163 HG2 PRO 26 2HG PRO 26 4.067 -3.072 -11.426
164 HG3 PRO 26 3HG PRO 26 5.782 -3.473 -11.625
165 HD2 PRO 26 2HD PRO 26 4.131 -3.417 -9.137
166 HD3 PRO 26 3HD PRO 26 5.410 -4.552 -9.621
167 H GLU 27 H GLU 27 4.110 -1.630 -8.060
168 HA GLU 27 HA GLU 27 3.970 1.211 -7.316
169 HB2 GLU 27 2HB GLU 27 1.515 0.713 -6.824
170 HB3 GLU 27 3HB GLU 27 1.992 0.770 -8.510
171 HG2 GLU 27 2HG GLU 27 2.212 -1.808 -8.276
172 HG3 GLU 27 3HG GLU 27 1.205 -1.589 -6.847
173 HA PRO 28 HA PRO 28 4.839 0.124 -3.081
174 HB2 PRO 28 2HB PRO 28 3.397 2.063 -1.761
175 HB3 PRO 28 3HB PRO 28 4.978 2.343 -2.524
176 HG2 PRO 28 2HG PRO 28 2.254 2.959 -3.552
177 HG3 PRO 28 3HG PRO 28 3.741 3.924 -3.648
178 HD2 PRO 28 2HD PRO 28 2.841 2.512 -5.746
179 HD3 PRO 28 3HD PRO 28 4.575 2.708 -5.425
180 H ILE 29 H ILE 29 3.953 -0.731 -1.165
181 HA ILE 29 HA ILE 29 1.116 -1.536 -1.325
182 HB ILE 29 HB ILE 29 3.275 -3.236 -0.060
183 HG12 ILE 29 2HG1 ILE 29 3.904 -3.128 -2.390
184 HG13 ILE 29 3HG1 ILE 29 3.192 -4.702 -2.080
185 HG21 ILE 29 1HG2 ILE 29 1.041 -3.736 0.719
186 HG22 ILE 29 2HG2 ILE 29 1.644 -5.063 -0.273
187 HG23 ILE 29 3HG2 ILE 29 0.473 -3.926 -0.941
188 HD11 ILE 29 3HD1 ILE 29 2.533 -3.740 -4.254
189 HD12 ILE 29 1HD1 ILE 29 1.762 -2.397 -3.407
190 HD13 ILE 29 2HD1 ILE 29 1.152 -4.039 -3.201
191 H CYS 30 H CYS 30 0.046 -1.852 0.705
192 HA CYS 30 HA CYS 30 0.984 -0.026 2.766
193 HB2 CYS 30 2HB CYS 30 -1.626 -1.257 2.010
194 HB3 CYS 30 3HB CYS 30 -1.402 -0.803 3.688
195 H GLY 31 H GLY 31 2.088 -0.740 4.470
196 HA2 GLY 31 2HA GLY 31 1.358 -3.217 5.801
197 HA3 GLY 31 3HA GLY 31 2.960 -3.200 5.091
198 H VAL 32 H VAL 32 1.978 -3.347 7.917
199 HA VAL 32 HA VAL 32 3.033 -0.896 9.089
200 HB VAL 32 HB VAL 32 2.520 -2.169 11.308
201 HG11 VAL 32 1HG1 VAL 32 0.383 -1.227 11.397
202 HG12 VAL 32 2HG1 VAL 32 0.109 -1.463 9.675
203 HG13 VAL 32 3HG1 VAL 32 1.249 -0.237 10.224
204 HG21 VAL 32 3HG2 VAL 32 0.727 -3.736 9.451
205 HG22 VAL 32 1HG2 VAL 32 0.787 -3.846 11.211
206 HG23 VAL 32 2HG2 VAL 32 2.162 -4.386 10.245
Start of MODEL 6
1 H1 PCA 1 HN PCA 1 -14.592 -3.425 -0.782
2 HA PCA 1 HA PCA 1 -14.121 -1.748 1.100
3 HB2 PCA 1 1HB PCA 1 -11.306 -2.427 1.272
4 HB3 PCA 1 2HB PCA 1 -12.518 -2.221 2.380
5 HG2 PCA 1 1HG PCA 1 -11.585 -4.830 1.520
6 HG3 PCA 1 2HG PCA 1 -12.786 -4.356 2.558
7 H TRP 2 H TRP 2 -13.248 0.292 0.703
8 HA TRP 2 HA TRP 2 -12.473 0.802 -2.042
9 HB2 TRP 2 2HB TRP 2 -12.987 2.799 0.164
10 HB3 TRP 2 3HB TRP 2 -12.897 3.132 -1.562
11 HD1 TRP 2 HD1 TRP 2 -14.965 2.134 -3.072
12 HE1 TRP 2 HE1 TRP 2 -17.441 1.790 -2.457
13 HE3 TRP 2 HE3 TRP 2 -14.537 2.205 2.009
14 HZ2 TRP 2 HZ2 TRP 2 -19.005 1.573 -0.113
15 HZ3 TRP 2 HZ3 TRP 2 -16.569 1.922 3.373
16 HH2 TRP 2 HH2 TRP 2 -18.756 1.611 2.331
17 H CYS 3 H CYS 3 -11.142 1.061 1.189
18 HA CYS 3 HA CYS 3 -8.736 2.387 0.342
19 HB2 CYS 3 2HB CYS 3 -8.057 2.261 2.681
20 HB3 CYS 3 3HB CYS 3 -9.710 2.850 2.555
21 H ALA 4 H ALA 4 -6.598 1.529 0.679
22 HA ALA 4 HA ALA 4 -6.362 -1.215 -0.224
23 HB1 ALA 4 3HB ALA 4 -3.991 -0.673 -0.531
24 HB2 ALA 4 1HB ALA 4 -4.243 0.883 0.265
25 HB3 ALA 4 2HB ALA 4 -5.026 0.546 -1.278
26 H GLU 5 H GLU 5 -6.156 -2.875 1.117
27 HA GLU 5 HA GLU 5 -5.491 -2.425 3.910
28 HB2 GLU 5 2HB GLU 5 -6.270 -4.715 4.280
29 HB3 GLU 5 3HB GLU 5 -7.453 -3.791 3.369
30 HG2 GLU 5 2HG GLU 5 -6.561 -4.884 1.294
31 HG3 GLU 5 3HG GLU 5 -5.601 -5.927 2.336
32 H GLU 6 H GLU 6 -4.456 -5.129 4.363
33 HA GLU 6 HA GLU 6 -1.669 -4.573 3.848
34 HB2 GLU 6 2HB GLU 6 -1.271 -6.640 5.234
35 HB3 GLU 6 3HB GLU 6 -2.132 -5.349 6.049
36 HG2 GLU 6 2HG GLU 6 -4.243 -6.544 5.708
37 HG3 GLU 6 3HG GLU 6 -3.376 -7.840 4.887
38 H GLY 7 H GLY 7 -0.739 -5.106 2.030
39 HA2 GLY 7 2HA GLY 7 0.185 -6.821 0.618
40 HA3 GLY 7 3HA GLY 7 -1.290 -7.749 0.844
41 H GLU 8 H GLU 8 -2.040 -4.525 0.389
42 HA GLU 8 HA GLU 8 -2.538 -4.936 -2.487
43 HB2 GLU 8 2HB GLU 8 -4.166 -3.508 -0.386
44 HB3 GLU 8 3HB GLU 8 -4.406 -3.215 -2.101
45 HG2 GLU 8 2HG GLU 8 -4.550 -5.978 -0.943
46 HG3 GLU 8 3HG GLU 8 -5.939 -4.894 -0.942
47 H SER 9 H SER 9 -2.547 -2.978 -3.815
48 HA SER 9 HA SER 9 -0.275 -1.314 -3.214
49 HB2 SER 9 2HB SER 9 -0.724 -0.358 -5.479
50 HB3 SER 9 3HB SER 9 -0.530 -2.108 -5.472
51 HG SER 9 HG SER 9 -2.329 -1.476 -6.721
52 H CYS 10 H CYS 10 -0.232 0.714 -2.512
53 HA CYS 10 HA CYS 10 -2.797 2.044 -1.988
54 HB2 CYS 10 2HB CYS 10 -1.611 3.360 -0.315
55 HB3 CYS 10 3HB CYS 10 -1.324 1.646 -0.046
56 H GLU 11 H GLU 11 -1.587 1.999 -4.611
57 HA GLU 11 HA GLU 11 -0.529 4.660 -5.081
58 HB2 GLU 11 2HB GLU 11 -0.251 3.939 -7.397
59 HB3 GLU 11 3HB GLU 11 0.428 2.759 -6.291
60 HG2 GLU 11 2HG GLU 11 -0.648 1.288 -7.619
61 HG3 GLU 11 3HG GLU 11 -2.044 1.721 -6.631
62 H VAL 12 H VAL 12 -3.582 3.285 -4.854
63 HA VAL 12 HA VAL 12 -4.779 5.465 -6.422
64 HB VAL 12 HB VAL 12 -5.126 3.273 -7.513
65 HG11 VAL 12 1HG1 VAL 12 -7.004 1.845 -6.291
66 HG12 VAL 12 2HG1 VAL 12 -6.187 2.484 -4.863
67 HG13 VAL 12 3HG1 VAL 12 -5.282 1.548 -6.050
68 HG21 VAL 12 3HG2 VAL 12 -6.746 4.907 -8.007
69 HG22 VAL 12 1HG2 VAL 12 -7.577 4.659 -6.471
70 HG23 VAL 12 2HG2 VAL 12 -7.624 3.406 -7.712
71 H TYR 13 H TYR 13 -4.966 3.417 -3.566
72 HA TYR 13 HA TYR 13 -6.484 5.511 -2.196
73 HB2 TYR 13 2HB TYR 13 -7.215 2.619 -2.436
74 HB3 TYR 13 3HB TYR 13 -7.577 3.474 -0.958
75 HD1 TYR 13 HD2 TYR 13 -8.204 3.455 -4.605
76 HD2 TYR 13 HD1 TYR 13 -9.425 4.948 -0.810
77 HE1 TYR 13 HE2 TYR 13 -10.254 4.343 -5.624
78 HE2 TYR 13 HE1 TYR 13 -11.481 5.838 -1.819
79 HH TYR 13 HH TYR 13 -12.525 4.982 -4.932
80 HA PRO 14 HA PRO 14 -3.492 5.007 1.068
81 HB2 PRO 14 2HB PRO 14 -4.985 5.659 3.262
82 HB3 PRO 14 3HB PRO 14 -4.449 6.863 2.075
83 HG2 PRO 14 2HG PRO 14 -7.105 5.529 2.338
84 HG3 PRO 14 3HG PRO 14 -6.727 7.233 2.010
85 HD2 PRO 14 2HD PRO 14 -7.442 5.517 0.059
86 HD3 PRO 14 3HD PRO 14 -6.304 6.843 -0.216
87 H CYS 15 H CYS 15 -3.529 4.072 3.554
88 HA CYS 15 HA CYS 15 -4.135 1.263 3.250
89 HB2 CYS 15 2HB CYS 15 -2.959 2.684 5.643
90 HB3 CYS 15 3HB CYS 15 -2.957 0.959 5.346
91 H CYS 16 H CYS 16 -5.042 0.170 5.418
92 HA CYS 16 HA CYS 16 -7.543 1.597 6.027
93 HB2 CYS 16 2HB CYS 16 -7.152 -1.389 5.885
94 HB3 CYS 16 3HB CYS 16 -8.676 -0.542 6.125
95 H ASP 17 H ASP 17 -5.445 -0.966 7.393
96 HA ASP 17 HA ASP 17 -6.464 -0.469 10.062
97 HB2 ASP 17 2HB ASP 17 -4.463 -2.435 8.950
98 HB3 ASP 17 3HB ASP 17 -4.806 -2.305 10.671
99 H GLY 18 H GLY 18 -4.530 1.390 8.412
100 HA2 GLY 18 2HA GLY 18 -3.196 3.133 9.250
101 HA3 GLY 18 3HA GLY 18 -2.990 2.230 10.743
102 H LEU 19 H LEU 19 -2.452 0.965 7.517
103 HA LEU 19 HA LEU 19 0.212 0.106 8.171
104 HB2 LEU 19 2HB LEU 19 -1.246 -0.033 5.543
105 HB3 LEU 19 3HB LEU 19 0.172 -0.952 5.982
106 HG LEU 19 HG LEU 19 -2.193 -1.319 7.730
107 HD11 LEU 19 1HD1 LEU 19 -3.318 -2.822 6.214
108 HD12 LEU 19 2HD1 LEU 19 -2.128 -2.500 4.954
109 HD13 LEU 19 3HD1 LEU 19 -3.221 -1.220 5.487
110 HD21 LEU 19 3HD2 LEU 19 -1.286 -3.364 8.109
111 HD22 LEU 19 1HD2 LEU 19 0.175 -2.523 7.596
112 HD23 LEU 19 2HD2 LEU 19 -0.707 -3.540 6.454
113 H ILE 20 H ILE 20 2.002 0.432 6.575
114 HA ILE 20 HA ILE 20 2.141 3.263 5.772
115 HB ILE 20 HB ILE 20 4.392 1.364 6.508
116 HG12 ILE 20 2HG1 ILE 20 4.024 3.878 8.010
117 HG13 ILE 20 3HG1 ILE 20 2.729 2.705 8.213
118 HG21 ILE 20 1HG2 ILE 20 4.439 4.171 5.433
119 HG22 ILE 20 2HG2 ILE 20 5.376 2.766 4.919
120 HG23 ILE 20 3HG2 ILE 20 5.750 3.564 6.450
121 HD11 ILE 20 3HD1 ILE 20 4.357 1.032 8.925
122 HD12 ILE 20 1HD1 ILE 20 4.413 2.469 9.945
123 HD13 ILE 20 2HD1 ILE 20 5.655 2.209 8.720
124 H CYS 21 H CYS 21 2.894 3.818 3.759
125 HA CYS 21 HA CYS 21 2.669 1.817 1.684
126 HB2 CYS 21 2HB CYS 21 3.021 4.801 1.737
127 HB3 CYS 21 3HB CYS 21 3.227 3.904 0.234
128 H TYR 22 H TYR 22 4.346 0.494 1.509
129 HA TYR 22 HA TYR 22 7.057 1.341 1.935
130 HB2 TYR 22 2HB TYR 22 5.709 -1.250 1.290
131 HB3 TYR 22 3HB TYR 22 7.451 -1.101 1.079
132 HD1 TYR 22 HD2 TYR 22 8.915 -0.781 2.992
133 HD2 TYR 22 HD1 TYR 22 4.719 -1.254 3.505
134 HE1 TYR 22 HE2 TYR 22 9.264 -1.213 5.387
135 HE2 TYR 22 HE1 TYR 22 5.055 -1.688 5.902
136 HH TYR 22 HH TYR 22 7.992 -1.081 7.488
137 HA PRO 23 HA PRO 23 7.949 2.412 -2.302
138 HB2 PRO 23 2HB PRO 23 10.675 2.247 -2.227
139 HB3 PRO 23 3HB PRO 23 9.774 3.575 -1.473
140 HG2 PRO 23 2HG PRO 23 10.967 1.153 -0.212
141 HG3 PRO 23 3HG PRO 23 10.942 2.832 0.366
142 HD2 PRO 23 2HD PRO 23 9.235 0.927 1.301
143 HD3 PRO 23 3HD PRO 23 8.822 2.646 1.220
144 H THR 24 H THR 24 6.881 0.131 -2.536
145 HA THR 24 HA THR 24 8.760 -1.913 -3.457
146 HB THR 24 HB THR 24 6.865 -3.431 -3.521
147 HG1 THR 24 HG1 THR 24 4.987 -2.547 -3.934
148 HG21 THR 24 3HG2 THR 24 7.932 -3.032 -1.330
149 HG22 THR 24 1HG2 THR 24 6.223 -3.440 -1.171
150 HG23 THR 24 2HG2 THR 24 6.748 -1.763 -1.002
151 H PHE 25 H PHE 25 8.570 -2.890 -5.530
152 HA PHE 25 HA PHE 25 7.461 -1.066 -7.539
153 HB2 PHE 25 2HB PHE 25 9.940 -2.621 -7.385
154 HB3 PHE 25 3HB PHE 25 9.123 -2.743 -8.936
155 HD1 PHE 25 HD2 PHE 25 10.483 -0.303 -6.484
156 HD2 PHE 25 HD1 PHE 25 9.271 -1.024 -10.503
157 HE1 PHE 25 HE2 PHE 25 11.423 1.870 -7.157
158 HE2 PHE 25 HE1 PHE 25 10.205 1.146 -11.179
159 HZ PHE 25 HZ PHE 25 11.284 2.597 -9.507
160 HA PRO 26 HA PRO 26 7.096 -1.076 -9.750
161 HB2 PRO 26 2HB PRO 26 4.424 -1.052 -10.850
162 HB3 PRO 26 3HB PRO 26 5.957 -1.323 -11.692
163 HG2 PRO 26 2HG PRO 26 4.049 -3.240 -11.353
164 HG3 PRO 26 3HG PRO 26 5.775 -3.579 -11.577
165 HD2 PRO 26 2HD PRO 26 4.162 -3.574 -9.065
166 HD3 PRO 26 3HD PRO 26 5.477 -4.660 -9.562
167 H GLU 27 H GLU 27 4.028 -1.700 -8.064
168 HA GLU 27 HA GLU 27 3.922 1.140 -7.325
169 HB2 GLU 27 2HB GLU 27 1.497 0.761 -6.833
170 HB3 GLU 27 3HB GLU 27 1.934 0.598 -8.524
171 HG2 GLU 27 2HG GLU 27 1.765 -1.830 -6.788
172 HG3 GLU 27 3HG GLU 27 0.296 -1.096 -7.427
173 HA PRO 28 HA PRO 28 4.828 0.133 -3.080
174 HB2 PRO 28 2HB PRO 28 3.361 2.063 -1.774
175 HB3 PRO 28 3HB PRO 28 4.932 2.362 -2.549
176 HG2 PRO 28 2HG PRO 28 2.193 2.918 -3.568
177 HG3 PRO 28 3HG PRO 28 3.661 3.907 -3.686
178 HD2 PRO 28 2HD PRO 28 2.771 2.453 -5.761
179 HD3 PRO 28 3HD PRO 28 4.503 2.684 -5.454
180 H ILE 29 H ILE 29 3.962 -0.735 -1.157
181 HA ILE 29 HA ILE 29 1.132 -1.564 -1.307
182 HB ILE 29 HB ILE 29 3.302 -3.249 -0.048
183 HG12 ILE 29 2HG1 ILE 29 3.933 -3.117 -2.379
184 HG13 ILE 29 3HG1 ILE 29 3.253 -4.705 -2.072
185 HG21 ILE 29 1HG2 ILE 29 0.508 -3.950 -0.941
186 HG22 ILE 29 2HG2 ILE 29 1.070 -3.768 0.720
187 HG23 ILE 29 3HG2 ILE 29 1.681 -5.087 -0.278
188 HD11 ILE 29 3HD1 ILE 29 1.202 -4.085 -3.195
189 HD12 ILE 29 1HD1 ILE 29 2.578 -3.747 -4.245
190 HD13 ILE 29 2HD1 ILE 29 1.773 -2.428 -3.392
191 H CYS 30 H CYS 30 0.066 -1.878 0.720
192 HA CYS 30 HA CYS 30 0.995 -0.046 2.778
193 HB2 CYS 30 2HB CYS 30 -1.604 -1.313 2.038
194 HB3 CYS 30 3HB CYS 30 -1.377 -0.845 3.711
195 H GLY 31 H GLY 31 2.118 -0.749 4.478
196 HA2 GLY 31 2HA GLY 31 1.428 -3.244 5.798
197 HA3 GLY 31 3HA GLY 31 3.036 -3.179 5.104
198 H VAL 32 H VAL 32 2.013 -3.362 7.921
199 HA VAL 32 HA VAL 32 2.998 -0.896 9.119
200 HB VAL 32 HB VAL 32 2.487 -2.191 11.324
201 HG11 VAL 32 1HG1 VAL 32 1.183 -0.288 10.245
202 HG12 VAL 32 2HG1 VAL 32 0.319 -1.317 11.383
203 HG13 VAL 32 3HG1 VAL 32 0.087 -1.536 9.651
204 HG21 VAL 32 3HG2 VAL 32 0.790 -3.909 11.188
205 HG22 VAL 32 1HG2 VAL 32 2.206 -4.412 10.261
206 HG23 VAL 32 2HG2 VAL 32 0.775 -3.803 9.427
Start of MODEL 7
1 H1 PCA 1 HN PCA 1 -15.357 -2.934 0.178
2 HA PCA 1 HA PCA 1 -14.405 -1.066 1.655
3 HB2 PCA 1 1HB PCA 1 -11.778 -2.285 1.843
4 HB3 PCA 1 2HB PCA 1 -12.824 -1.611 2.935
5 HG2 PCA 1 1HG PCA 1 -12.514 -4.477 2.598
6 HG3 PCA 1 2HG PCA 1 -13.505 -3.564 3.563
7 H TRP 2 H TRP 2 -13.173 0.624 0.824
8 HA TRP 2 HA TRP 2 -12.327 0.290 -1.971
9 HB2 TRP 2 2HB TRP 2 -13.191 2.721 -0.404
10 HB3 TRP 2 3HB TRP 2 -12.471 2.825 -2.008
11 HD1 TRP 2 HD1 TRP 2 -15.705 1.984 -0.230
12 HE1 TRP 2 HE1 TRP 2 -17.565 1.612 -1.967
13 HE3 TRP 2 HE3 TRP 2 -12.860 1.950 -4.491
14 HZ2 TRP 2 HZ2 TRP 2 -17.801 1.339 -4.764
15 HZ3 TRP 2 HZ3 TRP 2 -13.987 1.626 -6.653
16 HH2 TRP 2 HH2 TRP 2 -16.407 1.327 -6.784
17 H CYS 3 H CYS 3 -11.104 0.886 1.174
18 HA CYS 3 HA CYS 3 -8.692 2.225 0.354
19 HB2 CYS 3 2HB CYS 3 -8.053 2.129 2.702
20 HB3 CYS 3 3HB CYS 3 -9.714 2.689 2.549
21 H ALA 4 H ALA 4 -6.561 1.396 0.732
22 HA ALA 4 HA ALA 4 -6.273 -1.357 -0.147
23 HB1 ALA 4 3HB ALA 4 -4.948 0.274 -1.282
24 HB2 ALA 4 1HB ALA 4 -3.849 -0.707 -0.311
25 HB3 ALA 4 2HB ALA 4 -4.315 0.908 0.235
26 H GLU 5 H GLU 5 -6.127 -2.970 1.250
27 HA GLU 5 HA GLU 5 -5.395 -2.472 4.017
28 HB2 GLU 5 2HB GLU 5 -6.218 -4.730 4.457
29 HB3 GLU 5 3HB GLU 5 -7.393 -3.810 3.535
30 HG2 GLU 5 2HG GLU 5 -6.623 -4.979 1.486
31 HG3 GLU 5 3HG GLU 5 -5.566 -5.966 2.490
32 H GLU 6 H GLU 6 -4.404 -5.223 4.465
33 HA GLU 6 HA GLU 6 -1.618 -4.702 3.929
34 HB2 GLU 6 2HB GLU 6 -1.242 -6.832 5.238
35 HB3 GLU 6 3HB GLU 6 -2.059 -5.545 6.105
36 HG2 GLU 6 2HG GLU 6 -4.205 -6.676 5.760
37 HG3 GLU 6 3HG GLU 6 -3.379 -7.966 4.886
38 H GLY 7 H GLY 7 -0.859 -5.079 1.987
39 HA2 GLY 7 2HA GLY 7 0.074 -6.761 0.506
40 HA3 GLY 7 3HA GLY 7 -1.391 -7.702 0.737
41 H GLU 8 H GLU 8 -2.077 -4.423 0.432
42 HA GLU 8 HA GLU 8 -2.800 -4.755 -2.407
43 HB2 GLU 8 2HB GLU 8 -4.102 -3.144 -0.209
44 HB3 GLU 8 3HB GLU 8 -4.481 -2.908 -1.906
45 HG2 GLU 8 2HG GLU 8 -5.039 -5.401 -1.940
46 HG3 GLU 8 3HG GLU 8 -5.026 -5.292 -0.181
47 H SER 9 H SER 9 -2.677 -2.858 -3.764
48 HA SER 9 HA SER 9 -0.304 -1.294 -3.233
49 HB2 SER 9 2HB SER 9 -0.666 -0.435 -5.538
50 HB3 SER 9 3HB SER 9 -0.623 -2.194 -5.465
51 HG SER 9 HG SER 9 -3.129 -1.081 -5.172
52 H CYS 10 H CYS 10 -0.203 0.789 -2.631
53 HA CYS 10 HA CYS 10 -2.755 2.155 -2.126
54 HB2 CYS 10 2HB CYS 10 -1.586 3.470 -0.451
55 HB3 CYS 10 3HB CYS 10 -1.311 1.758 -0.163
56 H GLU 11 H GLU 11 -1.755 2.117 -4.741
57 HA GLU 11 HA GLU 11 -0.590 4.741 -5.226
58 HB2 GLU 11 2HB GLU 11 -0.377 4.034 -7.554
59 HB3 GLU 11 3HB GLU 11 0.314 2.838 -6.468
60 HG2 GLU 11 2HG GLU 11 -1.284 1.263 -6.963
61 HG3 GLU 11 3HG GLU 11 -2.495 2.468 -7.397
62 H VAL 12 H VAL 12 -3.653 3.418 -4.912
63 HA VAL 12 HA VAL 12 -4.863 5.669 -6.366
64 HB VAL 12 HB VAL 12 -5.276 3.581 -7.605
65 HG11 VAL 12 1HG1 VAL 12 -7.080 2.036 -6.423
66 HG12 VAL 12 2HG1 VAL 12 -6.212 2.569 -4.983
67 HG13 VAL 12 3HG1 VAL 12 -5.348 1.744 -6.277
68 HG21 VAL 12 3HG2 VAL 12 -7.710 4.813 -6.335
69 HG22 VAL 12 1HG2 VAL 12 -7.769 3.712 -7.711
70 HG23 VAL 12 2HG2 VAL 12 -6.937 5.259 -7.855
71 H TYR 13 H TYR 13 -5.066 3.425 -3.646
72 HA TYR 13 HA TYR 13 -6.577 5.451 -2.158
73 HB2 TYR 13 2HB TYR 13 -7.222 2.546 -2.481
74 HB3 TYR 13 3HB TYR 13 -7.589 3.345 -0.972
75 HD1 TYR 13 HD2 TYR 13 -8.282 3.384 -4.607
76 HD2 TYR 13 HD1 TYR 13 -9.458 4.796 -0.765
77 HE1 TYR 13 HE2 TYR 13 -10.371 4.249 -5.569
78 HE2 TYR 13 HE1 TYR 13 -11.549 5.663 -1.720
79 HH TYR 13 HH TYR 13 -12.641 4.833 -4.822
80 HA PRO 14 HA PRO 14 -3.521 4.951 1.042
81 HB2 PRO 14 2HB PRO 14 -4.995 5.571 3.253
82 HB3 PRO 14 3HB PRO 14 -4.501 6.790 2.061
83 HG2 PRO 14 2HG PRO 14 -7.124 5.399 2.360
84 HG3 PRO 14 3HG PRO 14 -6.788 7.113 2.035
85 HD2 PRO 14 2HD PRO 14 -7.492 5.386 0.088
86 HD3 PRO 14 3HD PRO 14 -6.394 6.743 -0.200
87 H CYS 15 H CYS 15 -3.606 4.045 3.570
88 HA CYS 15 HA CYS 15 -4.136 1.216 3.264
89 HB2 CYS 15 2HB CYS 15 -2.999 2.669 5.658
90 HB3 CYS 15 3HB CYS 15 -2.958 0.945 5.362
91 H CYS 16 H CYS 16 -5.035 0.122 5.435
92 HA CYS 16 HA CYS 16 -7.565 1.508 6.016
93 HB2 CYS 16 2HB CYS 16 -7.098 -1.471 5.928
94 HB3 CYS 16 3HB CYS 16 -8.644 -0.660 6.158
95 H ASP 17 H ASP 17 -5.406 -0.972 7.441
96 HA ASP 17 HA ASP 17 -6.447 -0.432 10.097
97 HB2 ASP 17 2HB ASP 17 -4.421 -2.402 9.035
98 HB3 ASP 17 3HB ASP 17 -4.772 -2.236 10.752
99 H GLY 18 H GLY 18 -4.533 1.409 8.405
100 HA2 GLY 18 2HA GLY 18 -3.215 3.183 9.197
101 HA3 GLY 18 3HA GLY 18 -3.005 2.324 10.716
102 H LEU 19 H LEU 19 -2.444 1.004 7.513
103 HA LEU 19 HA LEU 19 0.217 0.162 8.197
104 HB2 LEU 19 2HB LEU 19 -1.225 -0.017 5.561
105 HB3 LEU 19 3HB LEU 19 0.194 -0.925 6.018
106 HG LEU 19 HG LEU 19 -2.190 -1.272 7.751
107 HD11 LEU 19 1HD1 LEU 19 -3.196 -1.239 5.509
108 HD12 LEU 19 2HD1 LEU 19 -3.255 -2.839 6.243
109 HD13 LEU 19 3HD1 LEU 19 -2.062 -2.488 4.994
110 HD21 LEU 19 3HD2 LEU 19 -0.711 -3.536 6.576
111 HD22 LEU 19 1HD2 LEU 19 -1.243 -3.264 8.233
112 HD23 LEU 19 2HD2 LEU 19 0.210 -2.468 7.633
113 H ILE 20 H ILE 20 2.005 0.457 6.571
114 HA ILE 20 HA ILE 20 2.156 3.285 5.755
115 HB ILE 20 HB ILE 20 4.398 1.379 6.496
116 HG12 ILE 20 2HG1 ILE 20 4.039 3.904 7.988
117 HG13 ILE 20 3HG1 ILE 20 2.745 2.730 8.201
118 HG21 ILE 20 1HG2 ILE 20 5.778 3.555 6.418
119 HG22 ILE 20 2HG2 ILE 20 4.462 4.189 5.425
120 HG23 ILE 20 3HG2 ILE 20 5.371 2.775 4.888
121 HD11 ILE 20 3HD1 ILE 20 5.673 2.241 8.701
122 HD12 ILE 20 1HD1 ILE 20 4.379 1.062 8.917
123 HD13 ILE 20 2HD1 ILE 20 4.434 2.507 9.929
124 H CYS 21 H CYS 21 2.913 3.823 3.737
125 HA CYS 21 HA CYS 21 2.676 1.808 1.675
126 HB2 CYS 21 2HB CYS 21 3.048 4.792 1.706
127 HB3 CYS 21 3HB CYS 21 3.246 3.882 0.210
128 H TYR 22 H TYR 22 4.349 0.475 1.519
129 HA TYR 22 HA TYR 22 7.062 1.308 1.942
130 HB2 TYR 22 2HB TYR 22 5.702 -1.275 1.297
131 HB3 TYR 22 3HB TYR 22 7.446 -1.136 1.090
132 HD1 TYR 22 HD1 TYR 22 8.907 -0.832 3.002
133 HD2 TYR 22 HD2 TYR 22 4.707 -1.263 3.510
134 HE1 TYR 22 HE1 TYR 22 9.249 -1.265 5.398
135 HE2 TYR 22 HE2 TYR 22 5.035 -1.701 5.907
136 HH TYR 22 HH TYR 22 6.813 -2.505 7.407
137 HA PRO 23 HA PRO 23 7.970 2.371 -2.293
138 HB2 PRO 23 2HB PRO 23 10.695 2.196 -2.210
139 HB3 PRO 23 3HB PRO 23 9.796 3.528 -1.460
140 HG2 PRO 23 2HG PRO 23 10.980 1.106 -0.193
141 HG3 PRO 23 3HG PRO 23 10.955 2.785 0.384
142 HD2 PRO 23 2HD PRO 23 9.243 0.881 1.312
143 HD3 PRO 23 3HD PRO 23 8.834 2.601 1.235
144 H THR 24 H THR 24 6.894 0.093 -2.527
145 HA THR 24 HA THR 24 8.768 -1.961 -3.431
146 HB THR 24 HB THR 24 6.868 -3.473 -3.502
147 HG1 THR 24 HG1 THR 24 5.079 -1.607 -2.458
148 HG21 THR 24 3HG2 THR 24 6.221 -3.480 -1.156
149 HG22 THR 24 1HG2 THR 24 6.745 -1.803 -0.987
150 HG23 THR 24 2HG2 THR 24 7.931 -3.071 -1.309
151 H PHE 25 H PHE 25 8.641 -2.908 -5.502
152 HA PHE 25 HA PHE 25 7.546 -1.086 -7.519
153 HB2 PHE 25 2HB PHE 25 10.007 -2.676 -7.344
154 HB3 PHE 25 3HB PHE 25 9.209 -2.761 -8.907
155 HD1 PHE 25 HD2 PHE 25 10.571 -0.379 -6.402
156 HD2 PHE 25 HD1 PHE 25 9.400 -1.021 -10.446
157 HE1 PHE 25 HE2 PHE 25 11.551 1.790 -7.027
158 HE2 PHE 25 HE1 PHE 25 10.372 1.146 -11.076
159 HZ PHE 25 HZ PHE 25 11.450 2.556 -9.366
160 HA PRO 26 HA PRO 26 7.212 -1.071 -9.713
161 HB2 PRO 26 2HB PRO 26 4.588 -1.031 -10.905
162 HB3 PRO 26 3HB PRO 26 6.144 -1.334 -11.692
163 HG2 PRO 26 2HG PRO 26 4.189 -3.218 -11.402
164 HG3 PRO 26 3HG PRO 26 5.916 -3.585 -11.575
165 HD2 PRO 26 2HD PRO 26 4.236 -3.535 -9.105
166 HD3 PRO 26 3HD PRO 26 5.540 -4.653 -9.566
167 H GLU 27 H GLU 27 4.185 -1.748 -8.028
168 HA GLU 27 HA GLU 27 3.959 1.100 -7.337
169 HB2 GLU 27 2HB GLU 27 1.527 0.574 -6.863
170 HB3 GLU 27 3HB GLU 27 2.009 0.526 -8.548
171 HG2 GLU 27 2HG GLU 27 2.275 -2.023 -8.148
172 HG3 GLU 27 3HG GLU 27 1.270 -1.733 -6.729
173 HA PRO 28 HA PRO 28 4.843 0.099 -3.078
174 HB2 PRO 28 2HB PRO 28 3.379 2.041 -1.793
175 HB3 PRO 28 3HB PRO 28 4.953 2.331 -2.566
176 HG2 PRO 28 2HG PRO 28 2.220 2.890 -3.598
177 HG3 PRO 28 3HG PRO 28 3.691 3.873 -3.715
178 HD2 PRO 28 2HD PRO 28 2.800 2.406 -5.783
179 HD3 PRO 28 3HD PRO 28 4.533 2.643 -5.477
180 H ILE 29 H ILE 29 3.950 -0.726 -1.141
181 HA ILE 29 HA ILE 29 1.118 -1.547 -1.306
182 HB ILE 29 HB ILE 29 3.280 -3.245 -0.047
183 HG12 ILE 29 2HG1 ILE 29 3.889 -3.116 -2.386
184 HG13 ILE 29 3HG1 ILE 29 3.213 -4.704 -2.062
185 HG21 ILE 29 1HG2 ILE 29 0.476 -3.935 -0.919
186 HG22 ILE 29 2HG2 ILE 29 1.047 -3.741 0.739
187 HG23 ILE 29 3HG2 ILE 29 1.648 -5.072 -0.250
188 HD11 ILE 29 3HD1 ILE 29 2.509 -3.773 -4.233
189 HD12 ILE 29 1HD1 ILE 29 1.728 -2.435 -3.389
190 HD13 ILE 29 2HD1 ILE 29 1.143 -4.084 -3.161
191 H CYS 30 H CYS 30 0.049 -1.852 0.719
192 HA CYS 30 HA CYS 30 0.986 -0.022 2.773
193 HB2 CYS 30 2HB CYS 30 -1.618 -1.263 2.021
194 HB3 CYS 30 3HB CYS 30 -1.397 -0.813 3.700
195 H GLY 31 H GLY 31 2.105 -0.729 4.474
196 HA2 GLY 31 2HA GLY 31 1.388 -3.209 5.810
197 HA3 GLY 31 3HA GLY 31 2.993 -3.174 5.109
198 H VAL 32 H VAL 32 1.997 -3.330 7.931
199 HA VAL 32 HA VAL 32 3.016 -0.868 9.109
200 HB VAL 32 HB VAL 32 2.522 -2.152 11.324
201 HG11 VAL 32 1HG1 VAL 32 0.364 -1.255 11.408
202 HG12 VAL 32 2HG1 VAL 32 0.107 -1.481 9.681
203 HG13 VAL 32 3HG1 VAL 32 1.223 -0.241 10.251
204 HG21 VAL 32 3HG2 VAL 32 2.206 -4.375 10.270
205 HG22 VAL 32 1HG2 VAL 32 0.769 -3.752 9.456
206 HG23 VAL 32 2HG2 VAL 32 0.810 -3.856 11.216
Start of MODEL 8
1 H1 PCA 1 HN PCA 1 -15.080 -3.118 -0.706
2 HA PCA 1 HA PCA 1 -14.204 -1.590 1.157
3 HB2 PCA 1 1HB PCA 1 -11.497 -2.622 1.007
4 HB3 PCA 1 2HB PCA 1 -12.550 -2.309 2.245
5 HG2 PCA 1 1HG PCA 1 -12.055 -4.979 1.220
6 HG3 PCA 1 2HG PCA 1 -13.071 -4.401 2.394
7 H TRP 2 H TRP 2 -13.117 0.336 0.729
8 HA TRP 2 HA TRP 2 -12.394 0.751 -2.081
9 HB2 TRP 2 2HB TRP 2 -13.197 2.681 0.098
10 HB3 TRP 2 3HB TRP 2 -12.609 3.199 -1.479
11 HD1 TRP 2 HD1 TRP 2 -15.649 1.664 0.232
12 HE1 TRP 2 HE1 TRP 2 -17.645 1.724 -1.389
13 HE3 TRP 2 HE3 TRP 2 -13.219 3.177 -4.016
14 HZ2 TRP 2 HZ2 TRP 2 -18.130 2.330 -4.098
15 HZ3 TRP 2 HZ3 TRP 2 -14.528 3.471 -6.077
16 HH2 TRP 2 HH2 TRP 2 -16.933 3.055 -6.115
17 H CYS 3 H CYS 3 -11.137 1.067 1.175
18 HA CYS 3 HA CYS 3 -8.702 2.369 0.371
19 HB2 CYS 3 2HB CYS 3 -8.063 2.229 2.715
20 HB3 CYS 3 3HB CYS 3 -9.717 2.813 2.576
21 H ALA 4 H ALA 4 -6.583 1.507 0.703
22 HA ALA 4 HA ALA 4 -6.340 -1.234 -0.204
23 HB1 ALA 4 3HB ALA 4 -3.964 -0.682 -0.489
24 HB2 ALA 4 1HB ALA 4 -4.236 0.876 0.295
25 HB3 ALA 4 2HB ALA 4 -5.004 0.523 -1.252
26 H GLU 5 H GLU 5 -6.156 -2.894 1.143
27 HA GLU 5 HA GLU 5 -5.486 -2.446 3.934
28 HB2 GLU 5 2HB GLU 5 -6.283 -4.726 4.310
29 HB3 GLU 5 3HB GLU 5 -7.456 -3.803 3.388
30 HG2 GLU 5 2HG GLU 5 -6.546 -4.912 1.324
31 HG3 GLU 5 3HG GLU 5 -5.614 -5.960 2.387
32 H GLU 6 H GLU 6 -4.458 -5.139 4.409
33 HA GLU 6 HA GLU 6 -1.671 -4.601 3.883
34 HB2 GLU 6 2HB GLU 6 -1.279 -6.670 5.270
35 HB3 GLU 6 3HB GLU 6 -2.133 -5.374 6.085
36 HG2 GLU 6 2HG GLU 6 -4.251 -6.557 5.750
37 HG3 GLU 6 3HG GLU 6 -3.392 -7.859 4.927
38 H GLY 7 H GLY 7 -0.765 -5.122 2.049
39 HA2 GLY 7 2HA GLY 7 0.159 -6.844 0.638
40 HA3 GLY 7 3HA GLY 7 -1.316 -7.768 0.869
41 H GLU 8 H GLU 8 -2.036 -4.530 0.412
42 HA GLU 8 HA GLU 8 -2.555 -4.943 -2.459
43 HB2 GLU 8 2HB GLU 8 -4.172 -3.517 -0.351
44 HB3 GLU 8 3HB GLU 8 -4.414 -3.211 -2.064
45 HG2 GLU 8 2HG GLU 8 -4.570 -5.979 -0.921
46 HG3 GLU 8 3HG GLU 8 -5.954 -4.890 -0.917
47 H SER 9 H SER 9 -2.546 -2.997 -3.791
48 HA SER 9 HA SER 9 -0.274 -1.335 -3.187
49 HB2 SER 9 2HB SER 9 -0.682 -0.407 -5.463
50 HB3 SER 9 3HB SER 9 -0.542 -2.163 -5.438
51 HG SER 9 HG SER 9 -3.082 -1.645 -5.088
52 H CYS 10 H CYS 10 -0.230 0.698 -2.495
53 HA CYS 10 HA CYS 10 -2.792 2.035 -1.987
54 HB2 CYS 10 2HB CYS 10 -1.604 3.364 -0.324
55 HB3 CYS 10 3HB CYS 10 -1.327 1.651 -0.040
56 H GLU 11 H GLU 11 -1.572 1.972 -4.608
57 HA GLU 11 HA GLU 11 -0.510 4.625 -5.093
58 HB2 GLU 11 2HB GLU 11 -0.229 3.891 -7.404
59 HB3 GLU 11 3HB GLU 11 0.441 2.712 -6.290
60 HG2 GLU 11 2HG GLU 11 -0.642 1.241 -7.614
61 HG3 GLU 11 3HG GLU 11 -2.038 1.687 -6.632
62 H VAL 12 H VAL 12 -3.569 3.264 -4.858
63 HA VAL 12 HA VAL 12 -4.756 5.443 -6.436
64 HB VAL 12 HB VAL 12 -5.108 3.251 -7.526
65 HG11 VAL 12 1HG1 VAL 12 -6.995 1.831 -6.308
66 HG12 VAL 12 2HG1 VAL 12 -6.176 2.466 -4.879
67 HG13 VAL 12 3HG1 VAL 12 -5.275 1.526 -6.066
68 HG21 VAL 12 3HG2 VAL 12 -6.721 4.892 -8.023
69 HG22 VAL 12 1HG2 VAL 12 -7.558 4.643 -6.492
70 HG23 VAL 12 2HG2 VAL 12 -7.603 3.393 -7.735
71 H TYR 13 H TYR 13 -4.969 3.390 -3.582
72 HA TYR 13 HA TYR 13 -6.483 5.493 -2.218
73 HB2 TYR 13 2HB TYR 13 -7.213 2.601 -2.456
74 HB3 TYR 13 3HB TYR 13 -7.580 3.457 -0.980
75 HD1 TYR 13 HD2 TYR 13 -8.194 3.436 -4.630
76 HD2 TYR 13 HD1 TYR 13 -9.428 4.929 -0.838
77 HE1 TYR 13 HE2 TYR 13 -10.242 4.324 -5.655
78 HE2 TYR 13 HE1 TYR 13 -11.484 5.817 -1.855
79 HH TYR 13 HH TYR 13 -12.292 6.516 -4.071
80 HA PRO 14 HA PRO 14 -3.496 5.001 1.053
81 HB2 PRO 14 2HB PRO 14 -5.001 5.650 3.242
82 HB3 PRO 14 3HB PRO 14 -4.458 6.855 2.059
83 HG2 PRO 14 2HG PRO 14 -7.116 5.525 2.309
84 HG3 PRO 14 3HG PRO 14 -6.733 7.228 1.979
85 HD2 PRO 14 2HD PRO 14 -7.441 5.508 0.029
86 HD3 PRO 14 3HD PRO 14 -6.301 6.832 -0.245
87 H CYS 15 H CYS 15 -3.541 4.071 3.542
88 HA CYS 15 HA CYS 15 -4.139 1.260 3.243
89 HB2 CYS 15 2HB CYS 15 -2.966 2.698 5.629
90 HB3 CYS 15 3HB CYS 15 -2.969 0.970 5.349
91 H CYS 16 H CYS 16 -5.046 0.182 5.435
92 HA CYS 16 HA CYS 16 -7.561 1.604 5.994
93 HB2 CYS 16 2HB CYS 16 -7.141 -1.382 5.919
94 HB3 CYS 16 3HB CYS 16 -8.675 -0.548 6.148
95 H ASP 17 H ASP 17 -5.466 -0.912 7.466
96 HA ASP 17 HA ASP 17 -6.519 -0.265 10.095
97 HB2 ASP 17 2HB ASP 17 -5.066 -2.168 10.864
98 HB3 ASP 17 3HB ASP 17 -6.277 -2.602 9.667
99 H GLY 18 H GLY 18 -4.511 1.449 8.420
100 HA2 GLY 18 2HA GLY 18 -3.150 3.183 9.243
101 HA3 GLY 18 3HA GLY 18 -2.950 2.288 10.742
102 H LEU 19 H LEU 19 -2.449 1.000 7.512
103 HA LEU 19 HA LEU 19 0.206 0.105 8.162
104 HB2 LEU 19 2HB LEU 19 -1.259 -0.020 5.537
105 HB3 LEU 19 3HB LEU 19 0.155 -0.948 5.968
106 HG LEU 19 HG LEU 19 -2.210 -1.303 7.719
107 HD11 LEU 19 1HD1 LEU 19 -2.138 -2.498 4.951
108 HD12 LEU 19 2HD1 LEU 19 -3.226 -1.206 5.466
109 HD13 LEU 19 3HD1 LEU 19 -3.338 -2.801 6.206
110 HD21 LEU 19 3HD2 LEU 19 -1.304 -3.340 8.115
111 HD22 LEU 19 1HD2 LEU 19 0.159 -2.511 7.587
112 HD23 LEU 19 2HD2 LEU 19 -0.731 -3.533 6.459
113 H ILE 20 H ILE 20 2.003 0.418 6.582
114 HA ILE 20 HA ILE 20 2.166 3.246 5.772
115 HB ILE 20 HB ILE 20 4.402 1.329 6.507
116 HG12 ILE 20 2HG1 ILE 20 4.052 3.849 8.008
117 HG13 ILE 20 3HG1 ILE 20 2.749 2.682 8.214
118 HG21 ILE 20 1HG2 ILE 20 5.773 3.524 6.447
119 HG22 ILE 20 2HG2 ILE 20 4.467 4.134 5.426
120 HG23 ILE 20 3HG2 ILE 20 5.398 2.722 4.920
121 HD11 ILE 20 3HD1 ILE 20 4.369 1.000 8.926
122 HD12 ILE 20 1HD1 ILE 20 4.432 2.439 9.944
123 HD13 ILE 20 2HD1 ILE 20 5.672 2.170 8.719
124 H CYS 21 H CYS 21 2.911 3.792 3.758
125 HA CYS 21 HA CYS 21 2.674 1.791 1.684
126 HB2 CYS 21 2HB CYS 21 3.039 4.773 1.735
127 HB3 CYS 21 3HB CYS 21 3.238 3.876 0.232
128 H TYR 22 H TYR 22 4.346 0.459 1.523
129 HA TYR 22 HA TYR 22 7.061 1.283 1.941
130 HB2 TYR 22 2HB TYR 22 5.691 -1.290 1.281
131 HB3 TYR 22 3HB TYR 22 7.433 -1.156 1.060
132 HD1 TYR 22 HD1 TYR 22 8.911 -0.883 2.962
133 HD2 TYR 22 HD2 TYR 22 4.712 -1.283 3.503
134 HE1 TYR 22 HE1 TYR 22 9.271 -1.338 5.352
135 HE2 TYR 22 HE2 TYR 22 5.058 -1.740 5.896
136 HH TYR 22 HH TYR 22 6.837 -2.566 7.374
137 HA PRO 23 HA PRO 23 7.960 2.385 -2.285
138 HB2 PRO 23 2HB PRO 23 10.687 2.206 -2.212
139 HB3 PRO 23 3HB PRO 23 9.791 3.532 -1.445
140 HG2 PRO 23 2HG PRO 23 10.972 1.093 -0.207
141 HG3 PRO 23 3HG PRO 23 10.955 2.767 0.385
142 HD2 PRO 23 2HD PRO 23 9.239 0.860 1.302
143 HD3 PRO 23 3HD PRO 23 8.834 2.581 1.240
144 H THR 24 H THR 24 6.881 0.119 -2.549
145 HA THR 24 HA THR 24 8.746 -1.929 -3.486
146 HB THR 24 HB THR 24 6.843 -3.437 -3.565
147 HG1 THR 24 HG1 THR 24 5.385 -1.455 -4.081
148 HG21 THR 24 3HG2 THR 24 6.736 -1.787 -1.035
149 HG22 THR 24 1HG2 THR 24 7.903 -3.069 -1.371
150 HG23 THR 24 2HG2 THR 24 6.189 -3.456 -1.218
151 H PHE 25 H PHE 25 8.578 -2.864 -5.572
152 HA PHE 25 HA PHE 25 7.491 -1.007 -7.558
153 HB2 PHE 25 2HB PHE 25 9.941 -2.611 -7.418
154 HB3 PHE 25 3HB PHE 25 9.130 -2.683 -8.975
155 HD1 PHE 25 HD2 PHE 25 10.521 -0.321 -6.465
156 HD2 PHE 25 HD1 PHE 25 9.325 -0.937 -10.507
157 HE1 PHE 25 HE2 PHE 25 11.509 1.846 -7.088
158 HE2 PHE 25 HE1 PHE 25 10.306 1.227 -11.132
159 HZ PHE 25 HZ PHE 25 11.401 2.623 -9.423
160 HA PRO 26 HA PRO 26 7.140 -0.970 -9.756
161 HB2 PRO 26 2HB PRO 26 4.504 -0.892 -10.919
162 HB3 PRO 26 3HB PRO 26 6.047 -1.204 -11.726
163 HG2 PRO 26 2HG PRO 26 4.076 -3.069 -11.430
164 HG3 PRO 26 3HG PRO 26 5.796 -3.453 -11.629
165 HD2 PRO 26 2HD PRO 26 4.149 -3.414 -9.139
166 HD3 PRO 26 3HD PRO 26 5.438 -4.535 -9.626
167 H GLU 27 H GLU 27 4.112 -1.628 -8.061
168 HA GLU 27 HA GLU 27 3.946 1.212 -7.317
169 HB2 GLU 27 2HB GLU 27 1.496 0.688 -6.819
170 HB3 GLU 27 3HB GLU 27 1.970 0.755 -8.506
171 HG2 GLU 27 2HG GLU 27 2.211 -1.817 -8.292
172 HG3 GLU 27 3HG GLU 27 1.218 -1.621 -6.851
173 HA PRO 28 HA PRO 28 4.825 0.132 -3.083
174 HB2 PRO 28 2HB PRO 28 3.362 2.053 -1.760
175 HB3 PRO 28 3HB PRO 28 4.939 2.350 -2.525
176 HG2 PRO 28 2HG PRO 28 2.208 2.936 -3.549
177 HG3 PRO 28 3HG PRO 28 3.682 3.918 -3.644
178 HD2 PRO 28 2HD PRO 28 2.798 2.498 -5.744
179 HD3 PRO 28 3HD PRO 28 4.530 2.714 -5.422
180 H ILE 29 H ILE 29 3.948 -0.727 -1.159
181 HA ILE 29 HA ILE 29 1.121 -1.565 -1.318
182 HB ILE 29 HB ILE 29 3.298 -3.246 -0.061
183 HG12 ILE 29 2HG1 ILE 29 3.922 -3.118 -2.395
184 HG13 ILE 29 3HG1 ILE 29 3.241 -4.705 -2.084
185 HG21 ILE 29 1HG2 ILE 29 1.686 -5.089 -0.281
186 HG22 ILE 29 2HG2 ILE 29 0.503 -3.962 -0.944
187 HG23 ILE 29 3HG2 ILE 29 1.070 -3.770 0.715
188 HD11 ILE 29 3HD1 ILE 29 2.555 -3.771 -4.253
189 HD12 ILE 29 1HD1 ILE 29 1.779 -2.425 -3.417
190 HD13 ILE 29 2HD1 ILE 29 1.179 -4.069 -3.192
191 H CYS 30 H CYS 30 0.053 -1.886 0.711
192 HA CYS 30 HA CYS 30 0.981 -0.058 2.776
193 HB2 CYS 30 2HB CYS 30 -1.618 -1.323 2.036
194 HB3 CYS 30 3HB CYS 30 -1.390 -0.853 3.707
195 H GLY 31 H GLY 31 2.101 -0.764 4.473
196 HA2 GLY 31 2HA GLY 31 1.407 -3.258 5.794
197 HA3 GLY 31 3HA GLY 31 3.011 -3.205 5.091
198 H VAL 32 H VAL 32 1.998 -3.376 7.911
199 HA VAL 32 HA VAL 32 3.017 -0.919 9.102
200 HB VAL 32 HB VAL 32 2.491 -2.201 11.312
201 HG11 VAL 32 1HG1 VAL 32 0.093 -1.519 9.650
202 HG12 VAL 32 2HG1 VAL 32 1.213 -0.282 10.218
203 HG13 VAL 32 3HG1 VAL 32 0.343 -1.285 11.377
204 HG21 VAL 32 3HG2 VAL 32 0.762 -3.891 11.178
205 HG22 VAL 32 1HG2 VAL 32 2.172 -4.421 10.259
206 HG23 VAL 32 2HG2 VAL 32 0.754 -3.792 9.419
Start of MODEL 9
1 H1 PCA 1 HN PCA 1 -15.255 -2.844 0.188
2 HA PCA 1 HA PCA 1 -14.472 -0.889 1.649
3 HB2 PCA 1 1HB PCA 1 -11.784 -1.940 1.960
4 HB3 PCA 1 2HB PCA 1 -12.908 -1.306 2.997
5 HG2 PCA 1 1HG PCA 1 -12.414 -4.153 2.745
6 HG3 PCA 1 2HG PCA 1 -13.494 -3.279 3.651
7 H TRP 2 H TRP 2 -13.293 0.851 0.828
8 HA TRP 2 HA TRP 2 -12.428 0.546 -1.954
9 HB2 TRP 2 2HB TRP 2 -13.229 2.960 -0.328
10 HB3 TRP 2 3HB TRP 2 -12.536 3.083 -1.941
11 HD1 TRP 2 HD1 TRP 2 -15.746 2.210 -0.122
12 HE1 TRP 2 HE1 TRP 2 -17.643 1.918 -1.833
13 HE3 TRP 2 HE3 TRP 2 -12.988 2.328 -4.438
14 HZ2 TRP 2 HZ2 TRP 2 -17.938 1.758 -4.632
15 HZ3 TRP 2 HZ3 TRP 2 -14.161 2.097 -6.587
16 HH2 TRP 2 HH2 TRP 2 -16.585 1.819 -6.681
17 H CYS 3 H CYS 3 -11.156 1.110 1.187
18 HA CYS 3 HA CYS 3 -8.731 2.405 0.337
19 HB2 CYS 3 2HB CYS 3 -8.066 2.290 2.677
20 HB3 CYS 3 3HB CYS 3 -9.718 2.878 2.548
21 H ALA 4 H ALA 4 -6.601 1.536 0.686
22 HA ALA 4 HA ALA 4 -6.377 -1.213 -0.206
23 HB1 ALA 4 3HB ALA 4 -4.005 -0.687 -0.505
24 HB2 ALA 4 1HB ALA 4 -4.246 0.870 0.294
25 HB3 ALA 4 2HB ALA 4 -5.025 0.544 -1.253
26 H GLU 5 H GLU 5 -6.152 -2.879 1.130
27 HA GLU 5 HA GLU 5 -5.507 -2.417 3.929
28 HB2 GLU 5 2HB GLU 5 -6.301 -4.699 4.310
29 HB3 GLU 5 3HB GLU 5 -7.477 -3.772 3.395
30 HG2 GLU 5 2HG GLU 5 -6.581 -4.881 1.325
31 HG3 GLU 5 3HG GLU 5 -5.643 -5.931 2.381
32 H GLU 6 H GLU 6 -4.490 -5.118 4.407
33 HA GLU 6 HA GLU 6 -1.699 -4.584 3.889
34 HB2 GLU 6 2HB GLU 6 -1.315 -6.649 5.285
35 HB3 GLU 6 3HB GLU 6 -2.166 -5.346 6.093
36 HG2 GLU 6 2HG GLU 6 -4.287 -6.526 5.762
37 HG3 GLU 6 3HG GLU 6 -3.430 -7.832 4.943
38 H GLY 7 H GLY 7 -0.776 -5.128 2.069
39 HA2 GLY 7 2HA GLY 7 0.139 -6.852 0.661
40 HA3 GLY 7 3HA GLY 7 -1.338 -7.775 0.898
41 H GLU 8 H GLU 8 -2.030 -4.527 0.422
42 HA GLU 8 HA GLU 8 -2.554 -4.954 -2.447
43 HB2 GLU 8 2HB GLU 8 -4.176 -3.524 -0.345
44 HB3 GLU 8 3HB GLU 8 -4.415 -3.222 -2.060
45 HG2 GLU 8 2HG GLU 8 -4.570 -5.989 -0.912
46 HG3 GLU 8 3HG GLU 8 -5.955 -4.902 -0.907
47 H SER 9 H SER 9 -2.552 -3.005 -3.781
48 HA SER 9 HA SER 9 -0.277 -1.344 -3.181
49 HB2 SER 9 2HB SER 9 -0.690 -0.417 -5.457
50 HB3 SER 9 3HB SER 9 -0.549 -2.174 -5.431
51 HG SER 9 HG SER 9 -3.019 -0.782 -5.380
52 H CYS 10 H CYS 10 -0.231 0.695 -2.500
53 HA CYS 10 HA CYS 10 -2.793 2.032 -1.989
54 HB2 CYS 10 2HB CYS 10 -1.606 3.361 -0.328
55 HB3 CYS 10 3HB CYS 10 -1.324 1.648 -0.042
56 H GLU 11 H GLU 11 -1.574 1.964 -4.611
57 HA GLU 11 HA GLU 11 -0.516 4.619 -5.098
58 HB2 GLU 11 2HB GLU 11 -0.234 3.882 -7.409
59 HB3 GLU 11 3HB GLU 11 0.439 2.705 -6.294
60 HG2 GLU 11 2HG GLU 11 -0.642 1.232 -7.617
61 HG3 GLU 11 3HG GLU 11 -2.038 1.678 -6.635
62 H VAL 12 H VAL 12 -3.572 3.257 -4.856
63 HA VAL 12 HA VAL 12 -4.763 5.427 -6.442
64 HB VAL 12 HB VAL 12 -5.116 3.227 -7.519
65 HG11 VAL 12 1HG1 VAL 12 -6.995 1.812 -6.287
66 HG12 VAL 12 2HG1 VAL 12 -6.176 2.456 -4.863
67 HG13 VAL 12 3HG1 VAL 12 -5.274 1.512 -6.047
68 HG21 VAL 12 3HG2 VAL 12 -6.734 4.867 -8.016
69 HG22 VAL 12 1HG2 VAL 12 -7.568 4.616 -6.482
70 HG23 VAL 12 2HG2 VAL 12 -7.610 3.365 -7.724
71 H TYR 13 H TYR 13 -4.956 3.395 -3.574
72 HA TYR 13 HA TYR 13 -6.468 5.502 -2.215
73 HB2 TYR 13 2HB TYR 13 -7.208 2.610 -2.439
74 HB3 TYR 13 3HB TYR 13 -7.571 3.478 -0.968
75 HD1 TYR 13 HD2 TYR 13 -8.199 3.416 -4.613
76 HD2 TYR 13 HD1 TYR 13 -9.404 4.976 -0.838
77 HE1 TYR 13 HE2 TYR 13 -10.244 4.305 -5.642
78 HE2 TYR 13 HE1 TYR 13 -11.456 5.866 -1.859
79 HH TYR 13 HH TYR 13 -12.269 6.535 -4.078
80 HA PRO 14 HA PRO 14 -3.477 5.001 1.050
81 HB2 PRO 14 2HB PRO 14 -4.968 5.669 3.242
82 HB3 PRO 14 3HB PRO 14 -4.422 6.865 2.050
83 HG2 PRO 14 2HG PRO 14 -7.087 5.549 2.316
84 HG3 PRO 14 3HG PRO 14 -6.697 7.248 1.980
85 HD2 PRO 14 2HD PRO 14 -7.422 5.529 0.037
86 HD3 PRO 14 3HD PRO 14 -6.275 6.846 -0.244
87 H CYS 15 H CYS 15 -3.516 4.075 3.541
88 HA CYS 15 HA CYS 15 -4.135 1.268 3.246
89 HB2 CYS 15 2HB CYS 15 -2.948 2.693 5.632
90 HB3 CYS 15 3HB CYS 15 -2.956 0.966 5.342
91 H CYS 16 H CYS 16 -5.043 0.188 5.420
92 HA CYS 16 HA CYS 16 -7.536 1.630 6.030
93 HB2 CYS 16 2HB CYS 16 -7.165 -1.360 5.890
94 HB3 CYS 16 3HB CYS 16 -8.683 -0.502 6.129
95 H ASP 17 H ASP 17 -5.452 -0.946 7.393
96 HA ASP 17 HA ASP 17 -6.464 -0.445 10.063
97 HB2 ASP 17 2HB ASP 17 -5.806 -2.725 8.968
98 HB3 ASP 17 3HB ASP 17 -4.173 -2.287 9.456
99 H GLY 18 H GLY 18 -4.538 1.418 8.414
100 HA2 GLY 18 2HA GLY 18 -3.188 3.152 9.239
101 HA3 GLY 18 3HA GLY 18 -2.984 2.254 10.736
102 H LEU 19 H LEU 19 -2.452 0.975 7.514
103 HA LEU 19 HA LEU 19 0.208 0.108 8.170
104 HB2 LEU 19 2HB LEU 19 -1.248 -0.032 5.541
105 HB3 LEU 19 3HB LEU 19 0.167 -0.955 5.983
106 HG LEU 19 HG LEU 19 -2.198 -1.312 7.732
107 HD11 LEU 19 1HD1 LEU 19 -3.327 -2.813 6.217
108 HD12 LEU 19 2HD1 LEU 19 -2.139 -2.491 4.957
109 HD13 LEU 19 3HD1 LEU 19 -3.229 -1.210 5.490
110 HD21 LEU 19 3HD2 LEU 19 -0.721 -3.537 6.456
111 HD22 LEU 19 1HD2 LEU 19 -1.298 -3.360 8.111
112 HD23 LEU 19 2HD2 LEU 19 0.167 -2.524 7.595
113 H ILE 20 H ILE 20 2.002 0.426 6.580
114 HA ILE 20 HA ILE 20 2.150 3.256 5.770
115 HB ILE 20 HB ILE 20 4.393 1.348 6.505
116 HG12 ILE 20 2HG1 ILE 20 4.038 3.866 8.004
117 HG13 ILE 20 3HG1 ILE 20 2.738 2.698 8.210
118 HG21 ILE 20 1HG2 ILE 20 5.767 3.536 6.439
119 HG22 ILE 20 2HG2 ILE 20 4.454 4.157 5.433
120 HG23 ILE 20 3HG2 ILE 20 5.376 2.746 4.909
121 HD11 ILE 20 3HD1 ILE 20 4.422 2.459 9.942
122 HD12 ILE 20 1HD1 ILE 20 5.661 2.192 8.715
123 HD13 ILE 20 2HD1 ILE 20 4.361 1.020 8.923
124 H CYS 21 H CYS 21 2.907 3.804 3.756
125 HA CYS 21 HA CYS 21 2.672 1.801 1.682
126 HB2 CYS 21 2HB CYS 21 3.034 4.785 1.731
127 HB3 CYS 21 3HB CYS 21 3.235 3.884 0.228
128 H TYR 22 H TYR 22 4.345 0.472 1.513
129 HA TYR 22 HA TYR 22 7.059 1.304 1.938
130 HB2 TYR 22 2HB TYR 22 5.693 -1.274 1.282
131 HB3 TYR 22 3HB TYR 22 7.436 -1.137 1.064
132 HD1 TYR 22 HD1 TYR 22 8.911 -0.853 2.968
133 HD2 TYR 22 HD2 TYR 22 4.711 -1.267 3.503
134 HE1 TYR 22 HE1 TYR 22 9.269 -1.300 5.357
135 HE2 TYR 22 HE2 TYR 22 5.055 -1.717 5.898
136 HH TYR 22 HH TYR 22 6.839 -2.533 7.381
137 HA PRO 23 HA PRO 23 7.958 2.398 -2.291
138 HB2 PRO 23 2HB PRO 23 10.684 2.224 -2.216
139 HB3 PRO 23 3HB PRO 23 9.785 3.550 -1.453
140 HG2 PRO 23 2HG PRO 23 10.970 1.116 -0.206
141 HG3 PRO 23 3HG PRO 23 10.950 2.792 0.382
142 HD2 PRO 23 2HD PRO 23 9.236 0.886 1.303
143 HD3 PRO 23 3HD PRO 23 8.828 2.606 1.234
144 H THR 24 H THR 24 6.882 0.128 -2.548
145 HA THR 24 HA THR 24 8.752 -1.919 -3.481
146 HB THR 24 HB THR 24 6.854 -3.429 -3.558
147 HG1 THR 24 HG1 THR 24 5.048 -2.407 -4.090
148 HG21 THR 24 3HG2 THR 24 6.199 -3.445 -1.208
149 HG22 THR 24 1HG2 THR 24 6.741 -1.774 -1.030
150 HG23 THR 24 2HG2 THR 24 7.912 -3.054 -1.363
151 H PHE 25 H PHE 25 8.588 -2.858 -5.563
152 HA PHE 25 HA PHE 25 7.494 -1.007 -7.555
153 HB2 PHE 25 2HB PHE 25 9.950 -2.604 -7.411
154 HB3 PHE 25 3HB PHE 25 9.139 -2.682 -8.969
155 HD1 PHE 25 HD1 PHE 25 10.523 -0.312 -6.463
156 HD2 PHE 25 HD2 PHE 25 9.329 -0.938 -10.503
157 HE1 PHE 25 HE1 PHE 25 11.505 1.858 -7.090
158 HE2 PHE 25 HE2 PHE 25 10.303 1.228 -11.133
159 HZ PHE 25 HZ PHE 25 11.395 2.629 -9.426
160 HA PRO 26 HA PRO 26 7.144 -0.977 -9.755
161 HB2 PRO 26 2HB PRO 26 4.507 -0.909 -10.916
162 HB3 PRO 26 3HB PRO 26 6.051 -1.218 -11.724
163 HG2 PRO 26 2HG PRO 26 4.086 -3.088 -11.423
164 HG3 PRO 26 3HG PRO 26 5.806 -3.467 -11.623
165 HD2 PRO 26 2HD PRO 26 4.160 -3.428 -9.131
166 HD3 PRO 26 3HD PRO 26 5.453 -4.547 -9.617
167 H GLU 27 H GLU 27 4.116 -1.638 -8.061
168 HA GLU 27 HA GLU 27 3.945 1.203 -7.320
169 HB2 GLU 27 2HB GLU 27 1.496 0.680 -6.824
170 HB3 GLU 27 3HB GLU 27 1.970 0.735 -8.512
171 HG2 GLU 27 2HG GLU 27 2.212 -1.837 -8.279
172 HG3 GLU 27 3HG GLU 27 1.219 -1.628 -6.837
173 HA PRO 28 HA PRO 28 4.825 0.133 -3.084
174 HB2 PRO 28 2HB PRO 28 3.361 2.054 -1.765
175 HB3 PRO 28 3HB PRO 28 4.936 2.354 -2.531
176 HG2 PRO 28 2HG PRO 28 2.202 2.930 -3.556
177 HG3 PRO 28 3HG PRO 28 3.673 3.916 -3.655
178 HD2 PRO 28 2HD PRO 28 2.792 2.491 -5.751
179 HD3 PRO 28 3HD PRO 28 4.524 2.711 -5.430
180 H ILE 29 H ILE 29 3.950 -0.726 -1.162
181 HA ILE 29 HA ILE 29 1.124 -1.569 -1.318
182 HB ILE 29 HB ILE 29 3.305 -3.244 -0.059
183 HG12 ILE 29 2HG1 ILE 29 3.929 -3.120 -2.392
184 HG13 ILE 29 3HG1 ILE 29 3.249 -4.706 -2.080
185 HG21 ILE 29 1HG2 ILE 29 1.076 -3.770 0.718
186 HG22 ILE 29 2HG2 ILE 29 1.693 -5.090 -0.276
187 HG23 ILE 29 3HG2 ILE 29 0.511 -3.965 -0.942
188 HD11 ILE 29 3HD1 ILE 29 2.564 -3.771 -4.251
189 HD12 ILE 29 1HD1 ILE 29 1.780 -2.428 -3.413
190 HD13 ILE 29 2HD1 ILE 29 1.188 -4.076 -3.191
191 H CYS 30 H CYS 30 0.061 -1.897 0.717
192 HA CYS 30 HA CYS 30 0.988 -0.059 2.774
193 HB2 CYS 30 2HB CYS 30 -1.611 -1.326 2.039
194 HB3 CYS 30 3HB CYS 30 -1.380 -0.851 3.710
195 H GLY 31 H GLY 31 2.107 -0.760 4.473
196 HA2 GLY 31 2HA GLY 31 1.419 -3.254 5.797
197 HA3 GLY 31 3HA GLY 31 3.023 -3.196 5.098
198 H VAL 32 H VAL 32 2.010 -3.369 7.918
199 HA VAL 32 HA VAL 32 3.005 -0.903 9.107
200 HB VAL 32 HB VAL 32 2.497 -2.194 11.317
201 HG11 VAL 32 1HG1 VAL 32 1.199 -0.286 10.237
202 HG12 VAL 32 2HG1 VAL 32 0.334 -1.308 11.382
203 HG13 VAL 32 3HG1 VAL 32 0.095 -1.529 9.651
204 HG21 VAL 32 3HG2 VAL 32 0.820 -3.916 11.201
205 HG22 VAL 32 1HG2 VAL 32 2.202 -4.413 10.223
206 HG23 VAL 32 2HG2 VAL 32 0.746 -3.788 9.446
Start of MODEL 10
1 H1 PCA 1 HN PCA 1 -15.245 -2.786 0.231
2 HA PCA 1 HA PCA 1 -14.454 -0.834 1.693
3 HB2 PCA 1 1HB PCA 1 -11.769 -1.895 1.999
4 HB3 PCA 1 2HB PCA 1 -12.890 -1.256 3.038
5 HG2 PCA 1 1HG PCA 1 -12.408 -4.106 2.785
6 HG3 PCA 1 2HG PCA 1 -13.482 -3.229 3.691
7 H TRP 2 H TRP 2 -13.269 0.902 0.869
8 HA TRP 2 HA TRP 2 -12.408 0.593 -1.914
9 HB2 TRP 2 2HB TRP 2 -13.202 3.009 -0.290
10 HB3 TRP 2 3HB TRP 2 -12.507 3.130 -1.903
11 HD1 TRP 2 HD1 TRP 2 -15.725 2.298 -0.088
12 HE1 TRP 2 HE1 TRP 2 -17.619 1.997 -1.803
13 HE3 TRP 2 HE3 TRP 2 -12.952 2.329 -4.397
14 HZ2 TRP 2 HZ2 TRP 2 -17.906 1.798 -4.600
15 HZ3 TRP 2 HZ3 TRP 2 -14.120 2.077 -6.546
16 HH2 TRP 2 HH2 TRP 2 -16.546 1.816 -6.645
17 H CYS 3 H CYS 3 -11.119 1.105 1.218
18 HA CYS 3 HA CYS 3 -8.697 2.413 0.373
19 HB2 CYS 3 2HB CYS 3 -8.024 2.278 2.712
20 HB3 CYS 3 3HB CYS 3 -9.670 2.886 2.584
21 H ALA 4 H ALA 4 -6.576 1.538 0.673
22 HA ALA 4 HA ALA 4 -6.369 -1.213 -0.214
23 HB1 ALA 4 3HB ALA 4 -4.263 0.908 0.232
24 HB2 ALA 4 1HB ALA 4 -5.020 0.488 -1.304
25 HB3 ALA 4 2HB ALA 4 -3.973 -0.677 -0.493
26 H GLU 5 H GLU 5 -6.135 -2.879 1.125
27 HA GLU 5 HA GLU 5 -5.465 -2.410 3.916
28 HB2 GLU 5 2HB GLU 5 -6.256 -4.691 4.310
29 HB3 GLU 5 3HB GLU 5 -7.439 -3.766 3.401
30 HG2 GLU 5 2HG GLU 5 -6.563 -4.880 1.327
31 HG3 GLU 5 3HG GLU 5 -5.613 -5.926 2.377
32 H GLU 6 H GLU 6 -4.448 -5.111 4.394
33 HA GLU 6 HA GLU 6 -1.660 -4.584 3.865
34 HB2 GLU 6 2HB GLU 6 -1.273 -6.643 5.263
35 HB3 GLU 6 3HB GLU 6 -2.127 -5.342 6.071
36 HG2 GLU 6 2HG GLU 6 -4.245 -6.526 5.743
37 HG3 GLU 6 3HG GLU 6 -3.386 -7.832 4.927
38 H GLY 7 H GLY 7 -0.739 -5.136 2.048
39 HA2 GLY 7 2HA GLY 7 0.167 -6.861 0.639
40 HA3 GLY 7 3HA GLY 7 -1.306 -7.785 0.885
41 H GLU 8 H GLU 8 -2.019 -4.546 0.403
42 HA GLU 8 HA GLU 8 -2.558 -4.986 -2.462
43 HB2 GLU 8 2HB GLU 8 -4.156 -3.537 -0.354
44 HB3 GLU 8 3HB GLU 8 -4.407 -3.241 -2.068
45 HG2 GLU 8 2HG GLU 8 -4.571 -6.000 -0.902
46 HG3 GLU 8 3HG GLU 8 -5.949 -4.904 -0.904
47 H SER 9 H SER 9 -2.575 -3.033 -3.801
48 HA SER 9 HA SER 9 -0.292 -1.371 -3.219
49 HB2 SER 9 2HB SER 9 -0.694 -0.464 -5.498
50 HB3 SER 9 3HB SER 9 -0.570 -2.221 -5.465
51 HG SER 9 HG SER 9 -2.338 -1.467 -6.738
52 H CYS 10 H CYS 10 -0.243 0.712 -2.645
53 HA CYS 10 HA CYS 10 -2.822 2.031 -2.127
54 HB2 CYS 10 2HB CYS 10 -1.665 3.353 -0.434
55 HB3 CYS 10 3HB CYS 10 -1.409 1.638 -0.144
56 H GLU 11 H GLU 11 -1.755 2.012 -4.731
57 HA GLU 11 HA GLU 11 -0.537 4.602 -5.207
58 HB2 GLU 11 2HB GLU 11 -0.429 3.912 -7.559
59 HB3 GLU 11 3HB GLU 11 0.262 2.696 -6.498
60 HG2 GLU 11 2HG GLU 11 -1.552 1.232 -6.814
61 HG3 GLU 11 3HG GLU 11 -2.556 2.496 -7.519
62 H VAL 12 H VAL 12 -3.677 3.389 -4.930
63 HA VAL 12 HA VAL 12 -4.771 5.727 -6.340
64 HB VAL 12 HB VAL 12 -5.294 3.671 -7.588
65 HG11 VAL 12 1HG1 VAL 12 -5.471 1.825 -6.292
66 HG12 VAL 12 2HG1 VAL 12 -7.187 2.229 -6.381
67 HG13 VAL 12 3HG1 VAL 12 -6.244 2.691 -4.965
68 HG21 VAL 12 3HG2 VAL 12 -7.775 3.931 -7.694
69 HG22 VAL 12 1HG2 VAL 12 -6.867 5.439 -7.819
70 HG23 VAL 12 2HG2 VAL 12 -7.662 5.011 -6.304
71 H TYR 13 H TYR 13 -5.051 3.501 -3.621
72 HA TYR 13 HA TYR 13 -6.483 5.582 -2.131
73 HB2 TYR 13 2HB TYR 13 -7.236 2.704 -2.450
74 HB3 TYR 13 3HB TYR 13 -7.563 3.513 -0.939
75 HD1 TYR 13 HD1 TYR 13 -8.274 3.599 -4.570
76 HD2 TYR 13 HD2 TYR 13 -9.387 5.015 -0.712
77 HE1 TYR 13 HE1 TYR 13 -10.341 4.535 -5.515
78 HE2 TYR 13 HE2 TYR 13 -11.454 5.956 -1.650
79 HH TYR 13 HH TYR 13 -12.588 5.184 -4.749
80 HA PRO 14 HA PRO 14 -3.433 4.977 1.058
81 HB2 PRO 14 2HB PRO 14 -4.873 5.624 3.284
82 HB3 PRO 14 3HB PRO 14 -4.355 6.835 2.096
83 HG2 PRO 14 2HG PRO 14 -7.013 5.515 2.403
84 HG3 PRO 14 3HG PRO 14 -6.630 7.222 2.089
85 HD2 PRO 14 2HD PRO 14 -7.394 5.535 0.131
86 HD3 PRO 14 3HD PRO 14 -6.258 6.859 -0.152
87 H CYS 15 H CYS 15 -3.546 4.063 3.591
88 HA CYS 15 HA CYS 15 -4.132 1.246 3.262
89 HB2 CYS 15 2HB CYS 15 -2.950 2.666 5.653
90 HB3 CYS 15 3HB CYS 15 -2.953 0.940 5.360
91 H CYS 16 H CYS 16 -5.037 0.158 5.439
92 HA CYS 16 HA CYS 16 -7.531 1.594 6.056
93 HB2 CYS 16 2HB CYS 16 -7.159 -1.395 5.900
94 HB3 CYS 16 3HB CYS 16 -8.676 -0.537 6.146
95 H ASP 17 H ASP 17 -5.443 -0.989 7.400
96 HA ASP 17 HA ASP 17 -6.453 -0.510 10.074
97 HB2 ASP 17 2HB ASP 17 -4.455 -2.465 8.942
98 HB3 ASP 17 3HB ASP 17 -4.792 -2.348 10.665
99 H GLY 18 H GLY 18 -4.521 1.364 8.437
100 HA2 GLY 18 2HA GLY 18 -3.191 3.101 9.291
101 HA3 GLY 18 3HA GLY 18 -2.976 2.182 10.773
102 H LEU 19 H LEU 19 -2.452 0.935 7.541
103 HA LEU 19 HA LEU 19 0.222 0.092 8.176
104 HB2 LEU 19 2HB LEU 19 -1.244 -0.053 5.553
105 HB3 LEU 19 3HB LEU 19 0.177 -0.967 5.989
106 HG LEU 19 HG LEU 19 -2.175 -1.348 7.747
107 HD11 LEU 19 1HD1 LEU 19 -3.310 -2.844 6.233
108 HD12 LEU 19 2HD1 LEU 19 -2.131 -2.513 4.966
109 HD13 LEU 19 3HD1 LEU 19 -3.222 -1.238 5.512
110 HD21 LEU 19 3HD2 LEU 19 -0.679 -3.545 6.441
111 HD22 LEU 19 1HD2 LEU 19 -1.271 -3.404 8.094
112 HD23 LEU 19 2HD2 LEU 19 0.188 -2.544 7.604
113 H ILE 20 H ILE 20 1.991 0.428 6.540
114 HA ILE 20 HA ILE 20 2.094 3.262 5.739
115 HB ILE 20 HB ILE 20 4.375 1.401 6.481
116 HG12 ILE 20 2HG1 ILE 20 3.969 3.917 7.973
117 HG13 ILE 20 3HG1 ILE 20 2.693 2.723 8.185
118 HG21 ILE 20 1HG2 ILE 20 5.343 2.807 4.892
119 HG22 ILE 20 2HG2 ILE 20 5.692 3.634 6.414
120 HG23 ILE 20 3HG2 ILE 20 4.373 4.198 5.383
121 HD11 ILE 20 3HD1 ILE 20 4.352 1.080 8.900
122 HD12 ILE 20 1HD1 ILE 20 4.382 2.522 9.914
123 HD13 ILE 20 2HD1 ILE 20 5.627 2.280 8.688
124 H CYS 21 H CYS 21 2.832 3.814 3.720
125 HA CYS 21 HA CYS 21 2.641 1.793 1.660
126 HB2 CYS 21 2HB CYS 21 2.937 4.784 1.688
127 HB3 CYS 21 3HB CYS 21 3.154 3.878 0.192
128 H TYR 22 H TYR 22 4.342 0.497 1.519
129 HA TYR 22 HA TYR 22 7.037 1.389 1.930
130 HB2 TYR 22 2HB TYR 22 5.730 -1.226 1.294
131 HB3 TYR 22 3HB TYR 22 7.472 -1.050 1.096
132 HD1 TYR 22 HD1 TYR 22 8.914 -0.694 3.021
133 HD2 TYR 22 HD2 TYR 22 4.722 -1.238 3.498
134 HE1 TYR 22 HE1 TYR 22 9.250 -1.108 5.419
135 HE2 TYR 22 HE2 TYR 22 5.046 -1.657 5.899
136 HH TYR 22 HH TYR 22 7.956 -0.990 7.508
137 HA PRO 23 HA PRO 23 7.923 2.442 -2.312
138 HB2 PRO 23 2HB PRO 23 10.651 2.307 -2.234
139 HB3 PRO 23 3HB PRO 23 9.735 3.630 -1.486
140 HG2 PRO 23 2HG PRO 23 10.955 1.228 -0.214
141 HG3 PRO 23 3HG PRO 23 10.909 2.909 0.356
142 HD2 PRO 23 2HD PRO 23 9.225 0.987 1.297
143 HD3 PRO 23 3HD PRO 23 8.792 2.701 1.212
144 H THR 24 H THR 24 6.881 0.144 -2.527
145 HA THR 24 HA THR 24 8.784 -1.882 -3.433
146 HB THR 24 HB THR 24 6.904 -3.422 -3.493
147 HG1 THR 24 HG1 THR 24 5.090 -1.594 -2.434
148 HG21 THR 24 3HG2 THR 24 6.269 -3.431 -1.141
149 HG22 THR 24 1HG2 THR 24 6.783 -1.749 -0.978
150 HG23 THR 24 2HG2 THR 24 7.975 -3.010 -1.309
151 H PHE 25 H PHE 25 8.631 -2.862 -5.499
152 HA PHE 25 HA PHE 25 7.496 -1.068 -7.520
153 HB2 PHE 25 2HB PHE 25 9.994 -2.591 -7.352
154 HB3 PHE 25 3HB PHE 25 9.183 -2.728 -8.904
155 HD1 PHE 25 HD2 PHE 25 10.505 -0.265 -6.456
156 HD2 PHE 25 HD1 PHE 25 9.314 -1.011 -10.477
157 HE1 PHE 25 HE2 PHE 25 11.421 1.918 -7.132
158 HE2 PHE 25 HE1 PHE 25 10.221 1.168 -11.155
159 HZ PHE 25 HZ PHE 25 11.279 2.638 -9.484
160 HA PRO 26 HA PRO 26 7.135 -1.089 -9.728
161 HB2 PRO 26 2HB PRO 26 4.462 -1.112 -10.833
162 HB3 PRO 26 3HB PRO 26 6.002 -1.353 -11.671
163 HG2 PRO 26 2HG PRO 26 4.138 -3.308 -11.344
164 HG3 PRO 26 3HG PRO 26 5.875 -3.613 -11.546
165 HD2 PRO 26 2HD PRO 26 4.232 -3.622 -9.049
166 HD3 PRO 26 3HD PRO 26 5.565 -4.695 -9.531
167 H GLU 27 H GLU 27 4.052 -1.742 -8.073
168 HA GLU 27 HA GLU 27 3.909 1.098 -7.333
169 HB2 GLU 27 2HB GLU 27 1.482 0.587 -6.762
170 HB3 GLU 27 3HB GLU 27 1.905 0.603 -8.462
171 HG2 GLU 27 2HG GLU 27 1.984 -2.020 -7.087
172 HG3 GLU 27 3HG GLU 27 0.400 -1.300 -7.360
173 HA PRO 28 HA PRO 28 4.828 0.118 -3.082
174 HB2 PRO 28 2HB PRO 28 3.346 2.038 -1.782
175 HB3 PRO 28 3HB PRO 28 4.908 2.352 -2.571
176 HG2 PRO 28 2HG PRO 28 2.155 2.866 -3.573
177 HG3 PRO 28 3HG PRO 28 3.607 3.875 -3.705
178 HD2 PRO 28 2HD PRO 28 2.723 2.394 -5.766
179 HD3 PRO 28 3HD PRO 28 4.454 2.659 -5.475
180 H ILE 29 H ILE 29 3.958 -0.727 -1.139
181 HA ILE 29 HA ILE 29 1.138 -1.585 -1.290
182 HB ILE 29 HB ILE 29 3.324 -3.255 -0.037
183 HG12 ILE 29 2HG1 ILE 29 3.928 -3.109 -2.381
184 HG13 ILE 29 3HG1 ILE 29 3.284 -4.710 -2.055
185 HG21 ILE 29 1HG2 ILE 29 1.099 -3.783 0.749
186 HG22 ILE 29 2HG2 ILE 29 1.716 -5.103 -0.245
187 HG23 ILE 29 3HG2 ILE 29 0.529 -3.980 -0.908
188 HD11 ILE 29 3HD1 ILE 29 1.199 -4.124 -3.147
189 HD12 ILE 29 1HD1 ILE 29 2.558 -3.798 -4.223
190 HD13 ILE 29 2HD1 ILE 29 1.757 -2.467 -3.383
191 H CYS 30 H CYS 30 0.072 -1.892 0.733
192 HA CYS 30 HA CYS 30 0.993 -0.056 2.787
193 HB2 CYS 30 2HB CYS 30 -1.595 -1.340 2.046
194 HB3 CYS 30 3HB CYS 30 -1.375 -0.872 3.720
195 H GLY 31 H GLY 31 2.129 -0.746 4.482
196 HA2 GLY 31 2HA GLY 31 1.460 -3.247 5.810
197 HA3 GLY 31 3HA GLY 31 3.067 -3.164 5.119
198 H VAL 32 H VAL 32 2.041 -3.357 7.934
199 HA VAL 32 HA VAL 32 2.989 -0.877 9.132
200 HB VAL 32 HB VAL 32 2.495 -2.180 11.338
201 HG11 VAL 32 1HG1 VAL 32 0.308 -1.342 11.390
202 HG12 VAL 32 2HG1 VAL 32 0.094 -1.553 9.656
203 HG13 VAL 32 3HG1 VAL 32 1.167 -0.294 10.264
204 HG21 VAL 32 3HG2 VAL 32 2.246 -4.406 10.276
205 HG22 VAL 32 1HG2 VAL 32 0.811 -3.815 9.436
206 HG23 VAL 32 2HG2 VAL 32 0.821 -3.922 11.195
Start of MODEL 11
1 H1 PCA 1 HN PCA 1 -17.415 0.628 1.871
2 HA PCA 1 HA PCA 1 -15.549 2.117 2.806
3 HB2 PCA 1 1HB PCA 1 -13.940 -0.120 3.714
4 HB3 PCA 1 2HB PCA 1 -14.428 1.308 4.396
5 HG2 PCA 1 1HG PCA 1 -15.673 -1.244 4.998
6 HG3 PCA 1 2HG PCA 1 -15.991 0.303 5.497
7 H TRP 2 H TRP 2 -13.655 2.548 1.658
8 HA TRP 2 HA TRP 2 -12.785 0.643 -0.376
9 HB2 TRP 2 2HB TRP 2 -13.517 3.520 -0.981
10 HB3 TRP 2 3HB TRP 2 -12.728 2.419 -2.103
11 HD1 TRP 2 HD1 TRP 2 -16.113 3.072 -0.433
12 HE1 TRP 2 HE1 TRP 2 -17.940 1.836 -1.750
13 HE3 TRP 2 HE3 TRP 2 -13.151 0.437 -3.676
14 HZ2 TRP 2 HZ2 TRP 2 -18.114 -0.005 -3.880
15 HZ3 TRP 2 HZ3 TRP 2 -14.233 -1.038 -5.322
16 HH2 TRP 2 HH2 TRP 2 -16.664 -1.253 -5.420
17 H CYS 3 H CYS 3 -10.886 0.306 0.586
18 HA CYS 3 HA CYS 3 -8.848 2.334 0.337
19 HB2 CYS 3 2HB CYS 3 -8.057 2.194 2.664
20 HB3 CYS 3 3HB CYS 3 -9.697 2.826 2.595
21 H ALA 4 H ALA 4 -6.672 1.482 0.713
22 HA ALA 4 HA ALA 4 -6.444 -1.264 -0.207
23 HB1 ALA 4 3HB ALA 4 -4.339 0.861 0.228
24 HB2 ALA 4 1HB ALA 4 -5.121 0.468 -1.302
25 HB3 ALA 4 2HB ALA 4 -4.065 -0.713 -0.525
26 H GLU 5 H GLU 5 -6.176 -2.922 1.133
27 HA GLU 5 HA GLU 5 -5.499 -2.437 3.919
28 HB2 GLU 5 2HB GLU 5 -6.253 -4.732 4.319
29 HB3 GLU 5 3HB GLU 5 -7.454 -3.823 3.419
30 HG2 GLU 5 2HG GLU 5 -6.575 -4.924 1.337
31 HG3 GLU 5 3HG GLU 5 -5.605 -5.958 2.381
32 H GLU 6 H GLU 6 -4.443 -5.126 4.392
33 HA GLU 6 HA GLU 6 -1.662 -4.561 3.854
34 HB2 GLU 6 2HB GLU 6 -1.244 -6.618 5.247
35 HB3 GLU 6 3HB GLU 6 -2.110 -5.329 6.062
36 HG2 GLU 6 2HG GLU 6 -4.216 -6.540 5.736
37 HG3 GLU 6 3HG GLU 6 -3.343 -7.833 4.915
38 H GLY 7 H GLY 7 -0.729 -5.104 2.044
39 HA2 GLY 7 2HA GLY 7 0.192 -6.820 0.630
40 HA3 GLY 7 3HA GLY 7 -1.278 -7.751 0.866
41 H GLU 8 H GLU 8 -2.042 -4.531 0.408
42 HA GLU 8 HA GLU 8 -2.558 -4.952 -2.462
43 HB2 GLU 8 2HB GLU 8 -4.170 -3.527 -0.349
44 HB3 GLU 8 3HB GLU 8 -4.420 -3.221 -2.062
45 HG2 GLU 8 2HG GLU 8 -4.556 -5.995 -0.928
46 HG3 GLU 8 3HG GLU 8 -5.945 -4.911 -0.898
47 H SER 9 H SER 9 -2.581 -2.997 -3.796
48 HA SER 9 HA SER 9 -0.295 -1.340 -3.224
49 HB2 SER 9 2HB SER 9 -0.735 -0.407 -5.489
50 HB3 SER 9 3HB SER 9 -0.608 -2.164 -5.473
51 HG SER 9 HG SER 9 -3.132 -0.977 -5.199
52 H CYS 10 H CYS 10 -0.239 0.687 -2.517
53 HA CYS 10 HA CYS 10 -2.792 2.034 -1.983
54 HB2 CYS 10 2HB CYS 10 -1.599 3.332 -0.305
55 HB3 CYS 10 3HB CYS 10 -1.321 1.615 -0.044
56 H GLU 11 H GLU 11 -1.486 1.981 -4.601
57 HA GLU 11 HA GLU 11 -0.429 4.635 -5.053
58 HB2 GLU 11 2HB GLU 11 -0.167 3.933 -7.376
59 HB3 GLU 11 3HB GLU 11 0.489 2.726 -6.283
60 HG2 GLU 11 2HG GLU 11 -0.618 1.293 -7.627
61 HG3 GLU 11 3HG GLU 11 -2.003 1.743 -6.632
62 H VAL 12 H VAL 12 -3.505 3.295 -4.851
63 HA VAL 12 HA VAL 12 -4.670 5.524 -6.373
64 HB VAL 12 HB VAL 12 -5.045 3.377 -7.528
65 HG11 VAL 12 1HG1 VAL 12 -6.937 1.932 -6.312
66 HG12 VAL 12 2HG1 VAL 12 -6.050 2.493 -4.894
67 HG13 VAL 12 3HG1 VAL 12 -5.215 1.590 -6.155
68 HG21 VAL 12 3HG2 VAL 12 -7.513 3.532 -7.760
69 HG22 VAL 12 1HG2 VAL 12 -6.669 5.073 -7.902
70 HG23 VAL 12 2HG2 VAL 12 -7.520 4.668 -6.412
71 H TYR 13 H TYR 13 -5.002 3.356 -3.594
72 HA TYR 13 HA TYR 13 -6.543 5.437 -2.213
73 HB2 TYR 13 2HB TYR 13 -7.093 2.519 -2.489
74 HB3 TYR 13 3HB TYR 13 -7.518 3.317 -0.993
75 HD1 TYR 13 HD2 TYR 13 -8.140 3.296 -4.640
76 HD2 TYR 13 HD1 TYR 13 -9.440 4.693 -0.838
77 HE1 TYR 13 HE2 TYR 13 -10.243 4.062 -5.650
78 HE2 TYR 13 HE1 TYR 13 -11.551 5.457 -1.836
79 HH TYR 13 HH TYR 13 -12.412 6.116 -4.044
80 HA PRO 14 HA PRO 14 -3.560 5.028 1.087
81 HB2 PRO 14 2HB PRO 14 -5.093 5.672 3.253
82 HB3 PRO 14 3HB PRO 14 -4.575 6.874 2.056
83 HG2 PRO 14 2HG PRO 14 -7.203 5.485 2.316
84 HG3 PRO 14 3HG PRO 14 -6.858 7.191 1.957
85 HD2 PRO 14 2HD PRO 14 -7.512 5.404 0.035
86 HD3 PRO 14 3HD PRO 14 -6.430 6.773 -0.260
87 H CYS 15 H CYS 15 -3.547 4.068 3.539
88 HA CYS 15 HA CYS 15 -4.146 1.260 3.243
89 HB2 CYS 15 2HB CYS 15 -2.975 2.693 5.632
90 HB3 CYS 15 3HB CYS 15 -2.969 0.965 5.345
91 H CYS 16 H CYS 16 -5.038 0.158 5.416
92 HA CYS 16 HA CYS 16 -7.559 1.555 6.017
93 HB2 CYS 16 2HB CYS 16 -7.108 -1.424 5.876
94 HB3 CYS 16 3HB CYS 16 -8.648 -0.615 6.149
95 H ASP 17 H ASP 17 -5.407 -0.950 7.408
96 HA ASP 17 HA ASP 17 -6.440 -0.437 10.072
97 HB2 ASP 17 2HB ASP 17 -4.430 -2.406 8.982
98 HB3 ASP 17 3HB ASP 17 -4.772 -2.255 10.702
99 H GLY 18 H GLY 18 -4.536 1.426 8.407
100 HA2 GLY 18 2HA GLY 18 -3.204 3.180 9.212
101 HA3 GLY 18 3HA GLY 18 -2.993 2.302 10.721
102 H LEU 19 H LEU 19 -2.448 1.001 7.510
103 HA LEU 19 HA LEU 19 0.215 0.151 8.175
104 HB2 LEU 19 2HB LEU 19 -1.238 -0.011 5.545
105 HB3 LEU 19 3HB LEU 19 0.179 -0.927 5.995
106 HG LEU 19 HG LEU 19 -2.197 -1.275 7.734
107 HD11 LEU 19 1HD1 LEU 19 -3.200 -1.216 5.476
108 HD12 LEU 19 2HD1 LEU 19 -3.303 -2.803 6.233
109 HD13 LEU 19 3HD1 LEU 19 -2.098 -2.502 4.982
110 HD21 LEU 19 3HD2 LEU 19 0.183 -2.473 7.624
111 HD22 LEU 19 1HD2 LEU 19 -0.706 -3.518 6.519
112 HD23 LEU 19 2HD2 LEU 19 -1.276 -3.296 8.172
113 H ILE 20 H ILE 20 2.011 0.465 6.593
114 HA ILE 20 HA ILE 20 2.156 3.288 5.765
115 HB ILE 20 HB ILE 20 4.399 1.381 6.507
116 HG12 ILE 20 2HG1 ILE 20 4.043 3.910 7.992
117 HG13 ILE 20 3HG1 ILE 20 2.747 2.739 8.210
118 HG21 ILE 20 1HG2 ILE 20 5.382 2.771 4.902
119 HG22 ILE 20 2HG2 ILE 20 5.773 3.570 6.428
120 HG23 ILE 20 3HG2 ILE 20 4.460 4.184 5.419
121 HD11 ILE 20 3HD1 ILE 20 4.380 1.071 8.928
122 HD12 ILE 20 1HD1 ILE 20 4.437 2.516 9.936
123 HD13 ILE 20 2HD1 ILE 20 5.676 2.246 8.709
124 H CYS 21 H CYS 21 2.907 3.829 3.748
125 HA CYS 21 HA CYS 21 2.667 1.816 1.684
126 HB2 CYS 21 2HB CYS 21 3.028 4.800 1.721
127 HB3 CYS 21 3HB CYS 21 3.237 3.896 0.223
128 H TYR 22 H TYR 22 4.338 0.484 1.515
129 HA TYR 22 HA TYR 22 7.054 1.311 1.932
130 HB2 TYR 22 2HB TYR 22 5.680 -1.266 1.289
131 HB3 TYR 22 3HB TYR 22 7.423 -1.134 1.062
132 HD1 TYR 22 HD1 TYR 22 8.909 -0.851 2.956
133 HD2 TYR 22 HD2 TYR 22 4.710 -1.245 3.516
134 HE1 TYR 22 HE1 TYR 22 9.277 -1.295 5.345
135 HE2 TYR 22 HE2 TYR 22 5.067 -1.692 5.909
136 HH TYR 22 HH TYR 22 6.853 -2.513 7.384
137 HA PRO 23 HA PRO 23 7.947 2.390 -2.302
138 HB2 PRO 23 2HB PRO 23 10.672 2.221 -2.227
139 HB3 PRO 23 3HB PRO 23 9.774 3.548 -1.469
140 HG2 PRO 23 2HG PRO 23 10.963 1.122 -0.214
141 HG3 PRO 23 3HG PRO 23 10.940 2.799 0.368
142 HD2 PRO 23 2HD PRO 23 9.230 0.893 1.295
143 HD3 PRO 23 3HD PRO 23 8.820 2.612 1.223
144 H THR 24 H THR 24 6.874 0.121 -2.553
145 HA THR 24 HA THR 24 8.745 -1.931 -3.471
146 HB THR 24 HB THR 24 6.845 -3.441 -3.545
147 HG1 THR 24 HG1 THR 24 5.110 -2.276 -4.171
148 HG21 THR 24 3HG2 THR 24 6.186 -3.446 -1.200
149 HG22 THR 24 1HG2 THR 24 6.721 -1.774 -1.026
150 HG23 THR 24 2HG2 THR 24 7.898 -3.050 -1.348
151 H PHE 25 H PHE 25 8.547 -2.907 -5.548
152 HA PHE 25 HA PHE 25 7.477 -1.056 -7.555
153 HB2 PHE 25 2HB PHE 25 9.923 -2.667 -7.397
154 HB3 PHE 25 3HB PHE 25 9.111 -2.755 -8.953
155 HD1 PHE 25 HD1 PHE 25 10.507 -0.367 -6.470
156 HD2 PHE 25 HD2 PHE 25 9.314 -1.029 -10.506
157 HE1 PHE 25 HE1 PHE 25 11.502 1.788 -7.118
158 HE2 PHE 25 HE2 PHE 25 10.301 1.124 -11.156
159 HZ PHE 25 HZ PHE 25 11.400 2.538 -9.463
160 HA PRO 26 HA PRO 26 7.126 -1.042 -9.755
161 HB2 PRO 26 2HB PRO 26 4.489 -0.963 -10.915
162 HB3 PRO 26 3HB PRO 26 6.031 -1.290 -11.722
163 HG2 PRO 26 2HG PRO 26 4.050 -3.142 -11.401
164 HG3 PRO 26 3HG PRO 26 5.768 -3.537 -11.604
165 HD2 PRO 26 2HD PRO 26 4.128 -3.469 -9.109
166 HD3 PRO 26 3HD PRO 26 5.413 -4.599 -9.588
167 H GLU 27 H GLU 27 4.101 -1.669 -8.047
168 HA GLU 27 HA GLU 27 3.950 1.177 -7.328
169 HB2 GLU 27 2HB GLU 27 1.496 0.678 -6.829
170 HB3 GLU 27 3HB GLU 27 1.973 0.720 -8.518
171 HG2 GLU 27 2HG GLU 27 2.193 -1.851 -8.269
172 HG3 GLU 27 3HG GLU 27 1.199 -1.626 -6.832
173 HA PRO 28 HA PRO 28 4.820 0.128 -3.084
174 HB2 PRO 28 2HB PRO 28 3.348 2.054 -1.776
175 HB3 PRO 28 3HB PRO 28 4.926 2.350 -2.537
176 HG2 PRO 28 2HG PRO 28 2.197 2.923 -3.576
177 HG3 PRO 28 3HG PRO 28 3.670 3.908 -3.671
178 HD2 PRO 28 2HD PRO 28 2.799 2.476 -5.768
179 HD3 PRO 28 3HD PRO 28 4.529 2.694 -5.437
180 H ILE 29 H ILE 29 3.942 -0.723 -1.160
181 HA ILE 29 HA ILE 29 1.116 -1.568 -1.316
182 HB ILE 29 HB ILE 29 3.294 -3.238 -0.046
183 HG12 ILE 29 2HG1 ILE 29 3.926 -3.119 -2.379
184 HG13 ILE 29 3HG1 ILE 29 3.250 -4.707 -2.061
185 HG21 ILE 29 1HG2 ILE 29 0.505 -3.962 -0.934
186 HG22 ILE 29 2HG2 ILE 29 1.065 -3.763 0.726
187 HG23 ILE 29 3HG2 ILE 29 1.687 -5.086 -0.261
188 HD11 ILE 29 3HD1 ILE 29 1.195 -4.100 -3.185
189 HD12 ILE 29 1HD1 ILE 29 2.570 -3.771 -4.241
190 HD13 ILE 29 2HD1 ILE 29 1.765 -2.443 -3.400
191 H CYS 30 H CYS 30 0.054 -1.888 0.721
192 HA CYS 30 HA CYS 30 0.978 -0.043 2.771
193 HB2 CYS 30 2HB CYS 30 -1.619 -1.318 2.042
194 HB3 CYS 30 3HB CYS 30 -1.387 -0.845 3.713
195 H GLY 31 H GLY 31 2.098 -0.733 4.475
196 HA2 GLY 31 2HA GLY 31 1.416 -3.218 5.815
197 HA3 GLY 31 3HA GLY 31 3.017 -3.171 5.104
198 H VAL 32 H VAL 32 2.030 -3.326 7.931
199 HA VAL 32 HA VAL 32 3.043 -0.854 9.097
200 HB VAL 32 HB VAL 32 2.544 -2.128 11.319
201 HG11 VAL 32 1HG1 VAL 32 1.245 -0.223 10.227
202 HG12 VAL 32 2HG1 VAL 32 0.392 -1.226 11.398
203 HG13 VAL 32 3HG1 VAL 32 0.127 -1.472 9.675
204 HG21 VAL 32 3HG2 VAL 32 0.840 -3.836 11.219
205 HG22 VAL 32 1HG2 VAL 32 2.232 -4.355 10.268
206 HG23 VAL 32 2HG2 VAL 32 0.790 -3.736 9.460
Start of MODEL 12
1 H1 PCA 1 HN PCA 1 -17.416 0.618 1.909
2 HA PCA 1 HA PCA 1 -15.550 2.115 2.828
3 HB2 PCA 1 1HB PCA 1 -13.935 -0.113 3.747
4 HB3 PCA 1 2HB PCA 1 -14.423 1.320 4.418
5 HG2 PCA 1 1HG PCA 1 -15.661 -1.230 5.043
6 HG3 PCA 1 2HG PCA 1 -15.980 0.319 5.534
7 H TRP 2 H TRP 2 -13.658 2.541 1.670
8 HA TRP 2 HA TRP 2 -12.793 0.623 -0.353
9 HB2 TRP 2 2HB TRP 2 -13.531 3.495 -0.975
10 HB3 TRP 2 3HB TRP 2 -12.745 2.388 -2.092
11 HD1 TRP 2 HD1 TRP 2 -16.124 3.052 -0.419
12 HE1 TRP 2 HE1 TRP 2 -17.954 1.801 -1.719
13 HE3 TRP 2 HE3 TRP 2 -13.169 0.386 -3.645
14 HZ2 TRP 2 HZ2 TRP 2 -18.132 -0.061 -3.830
15 HZ3 TRP 2 HZ3 TRP 2 -14.255 -1.105 -5.272
16 HH2 TRP 2 HH2 TRP 2 -16.684 -1.323 -5.362
17 H CYS 3 H CYS 3 -10.891 0.295 0.601
18 HA CYS 3 HA CYS 3 -8.856 2.327 0.337
19 HB2 CYS 3 2HB CYS 3 -8.056 2.187 2.662
20 HB3 CYS 3 3HB CYS 3 -9.695 2.824 2.597
21 H ALA 4 H ALA 4 -6.677 1.478 0.714
22 HA ALA 4 HA ALA 4 -6.448 -1.270 -0.205
23 HB1 ALA 4 3HB ALA 4 -4.077 -0.719 -0.537
24 HB2 ALA 4 1HB ALA 4 -4.336 0.849 0.231
25 HB3 ALA 4 2HB ALA 4 -5.130 0.474 -1.299
26 H GLU 5 H GLU 5 -6.182 -2.923 1.138
27 HA GLU 5 HA GLU 5 -5.497 -2.440 3.923
28 HB2 GLU 5 2HB GLU 5 -6.250 -4.735 4.323
29 HB3 GLU 5 3HB GLU 5 -7.454 -3.827 3.426
30 HG2 GLU 5 2HG GLU 5 -6.577 -4.928 1.343
31 HG3 GLU 5 3HG GLU 5 -5.605 -5.960 2.385
32 H GLU 6 H GLU 6 -4.439 -5.129 4.394
33 HA GLU 6 HA GLU 6 -1.660 -4.559 3.854
34 HB2 GLU 6 2HB GLU 6 -1.237 -6.618 5.243
35 HB3 GLU 6 3HB GLU 6 -2.107 -5.331 6.059
36 HG2 GLU 6 2HG GLU 6 -4.210 -6.546 5.732
37 HG3 GLU 6 3HG GLU 6 -3.334 -7.836 4.911
38 H GLY 7 H GLY 7 -0.728 -5.100 2.040
39 HA2 GLY 7 2HA GLY 7 0.194 -6.812 0.626
40 HA3 GLY 7 3HA GLY 7 -1.275 -7.744 0.859
41 H GLU 8 H GLU 8 -2.045 -4.526 0.407
42 HA GLU 8 HA GLU 8 -2.560 -4.942 -2.464
43 HB2 GLU 8 2HB GLU 8 -4.169 -3.517 -0.349
44 HB3 GLU 8 3HB GLU 8 -4.421 -3.212 -2.061
45 HG2 GLU 8 2HG GLU 8 -4.557 -5.985 -0.927
46 HG3 GLU 8 3HG GLU 8 -5.946 -4.901 -0.894
47 H SER 9 H SER 9 -2.579 -2.987 -3.795
48 HA SER 9 HA SER 9 -0.293 -1.331 -3.222
49 HB2 SER 9 2HB SER 9 -0.733 -0.397 -5.488
50 HB3 SER 9 3HB SER 9 -0.604 -2.155 -5.472
51 HG SER 9 HG SER 9 -2.517 -2.197 -6.308
52 H CYS 10 H CYS 10 -0.237 0.694 -2.513
53 HA CYS 10 HA CYS 10 -2.790 2.041 -1.977
54 HB2 CYS 10 2HB CYS 10 -1.593 3.342 -0.305
55 HB3 CYS 10 3HB CYS 10 -1.313 1.627 -0.041
56 H GLU 11 H GLU 11 -1.489 1.985 -4.599
57 HA GLU 11 HA GLU 11 -0.441 4.644 -5.055
58 HB2 GLU 11 2HB GLU 11 -0.174 3.936 -7.377
59 HB3 GLU 11 3HB GLU 11 0.487 2.734 -6.281
60 HG2 GLU 11 2HG GLU 11 -0.614 1.294 -7.623
61 HG3 GLU 11 3HG GLU 11 -2.002 1.740 -6.629
62 H VAL 12 H VAL 12 -3.510 3.289 -4.852
63 HA VAL 12 HA VAL 12 -4.685 5.509 -6.379
64 HB VAL 12 HB VAL 12 -5.053 3.357 -7.528
65 HG11 VAL 12 1HG1 VAL 12 -5.212 1.575 -6.147
66 HG12 VAL 12 2HG1 VAL 12 -6.937 1.907 -6.307
67 HG13 VAL 12 3HG1 VAL 12 -6.054 2.479 -4.891
68 HG21 VAL 12 3HG2 VAL 12 -7.531 4.644 -6.414
69 HG22 VAL 12 1HG2 VAL 12 -7.522 3.502 -7.758
70 HG23 VAL 12 2HG2 VAL 12 -6.682 5.046 -7.907
71 H TYR 13 H TYR 13 -5.010 3.345 -3.596
72 HA TYR 13 HA TYR 13 -6.554 5.424 -2.216
73 HB2 TYR 13 2HB TYR 13 -7.099 2.506 -2.488
74 HB3 TYR 13 3HB TYR 13 -7.524 3.306 -0.992
75 HD1 TYR 13 HD2 TYR 13 -8.147 3.276 -4.640
76 HD2 TYR 13 HD1 TYR 13 -9.450 4.677 -0.839
77 HE1 TYR 13 HE2 TYR 13 -10.252 4.034 -5.650
78 HE2 TYR 13 HE1 TYR 13 -11.561 5.434 -1.839
79 HH TYR 13 HH TYR 13 -12.427 6.087 -4.049
80 HA PRO 14 HA PRO 14 -3.569 5.027 1.082
81 HB2 PRO 14 2HB PRO 14 -5.100 5.673 3.248
82 HB3 PRO 14 3HB PRO 14 -4.587 6.874 2.048
83 HG2 PRO 14 2HG PRO 14 -7.213 5.480 2.312
84 HG3 PRO 14 3HG PRO 14 -6.871 7.185 1.951
85 HD2 PRO 14 2HD PRO 14 -7.523 5.395 0.032
86 HD3 PRO 14 3HD PRO 14 -6.443 6.766 -0.265
87 H CYS 15 H CYS 15 -3.552 4.069 3.536
88 HA CYS 15 HA CYS 15 -4.150 1.261 3.242
89 HB2 CYS 15 2HB CYS 15 -2.978 2.695 5.631
90 HB3 CYS 15 3HB CYS 15 -2.971 0.970 5.345
91 H CYS 16 H CYS 16 -5.039 0.159 5.416
92 HA CYS 16 HA CYS 16 -7.561 1.553 6.015
93 HB2 CYS 16 2HB CYS 16 -7.104 -1.425 5.879
94 HB3 CYS 16 3HB CYS 16 -8.646 -0.619 6.156
95 H ASP 17 H ASP 17 -5.404 -0.942 7.413
96 HA ASP 17 HA ASP 17 -6.439 -0.422 10.075
97 HB2 ASP 17 2HB ASP 17 -4.431 -2.397 8.992
98 HB3 ASP 17 3HB ASP 17 -4.772 -2.241 10.712
99 H GLY 18 H GLY 18 -4.534 1.434 8.406
100 HA2 GLY 18 2HA GLY 18 -3.201 3.190 9.204
101 HA3 GLY 18 3HA GLY 18 -2.990 2.316 10.715
102 H LEU 19 H LEU 19 -2.447 1.011 7.505
103 HA LEU 19 HA LEU 19 0.215 0.156 8.173
104 HB2 LEU 19 2HB LEU 19 -1.238 -0.006 5.544
105 HB3 LEU 19 3HB LEU 19 0.179 -0.923 5.994
106 HG LEU 19 HG LEU 19 -2.200 -1.267 7.732
107 HD11 LEU 19 1HD1 LEU 19 -2.095 -2.500 4.982
108 HD12 LEU 19 2HD1 LEU 19 -3.198 -1.211 5.473
109 HD13 LEU 19 3HD1 LEU 19 -3.302 -2.799 6.232
110 HD21 LEU 19 3HD2 LEU 19 -1.278 -3.283 8.179
111 HD22 LEU 19 1HD2 LEU 19 0.182 -2.467 7.626
112 HD23 LEU 19 2HD2 LEU 19 -0.712 -3.516 6.527
113 H ILE 20 H ILE 20 2.013 0.466 6.596
114 HA ILE 20 HA ILE 20 2.164 3.288 5.765
115 HB ILE 20 HB ILE 20 4.402 1.377 6.509
116 HG12 ILE 20 2HG1 ILE 20 4.052 3.909 7.990
117 HG13 ILE 20 3HG1 ILE 20 2.754 2.739 8.209
118 HG21 ILE 20 1HG2 ILE 20 5.392 2.759 4.904
119 HG22 ILE 20 2HG2 ILE 20 5.780 3.563 6.428
120 HG23 ILE 20 3HG2 ILE 20 4.471 4.176 5.414
121 HD11 ILE 20 3HD1 ILE 20 5.681 2.244 8.711
122 HD12 ILE 20 1HD1 ILE 20 4.385 1.069 8.930
123 HD13 ILE 20 2HD1 ILE 20 4.442 2.515 9.937
124 H CYS 21 H CYS 21 2.918 3.824 3.746
125 HA CYS 21 HA CYS 21 2.672 1.811 1.684
126 HB2 CYS 21 2HB CYS 21 3.043 4.795 1.720
127 HB3 CYS 21 3HB CYS 21 3.246 3.889 0.221
128 H TYR 22 H TYR 22 4.341 0.475 1.520
129 HA TYR 22 HA TYR 22 7.059 1.295 1.937
130 HB2 TYR 22 2HB TYR 22 5.677 -1.276 1.289
131 HB3 TYR 22 3HB TYR 22 7.418 -1.150 1.060
132 HD1 TYR 22 HD1 TYR 22 8.910 -0.882 2.950
133 HD2 TYR 22 HD2 TYR 22 4.712 -1.253 3.520
134 HE1 TYR 22 HE1 TYR 22 9.282 -1.330 5.339
135 HE2 TYR 22 HE2 TYR 22 5.070 -1.703 5.911
136 HH TYR 22 HH TYR 22 8.041 -1.173 7.459
137 HA PRO 23 HA PRO 23 7.957 2.377 -2.296
138 HB2 PRO 23 2HB PRO 23 10.682 2.202 -2.220
139 HB3 PRO 23 3HB PRO 23 9.786 3.530 -1.460
140 HG2 PRO 23 2HG PRO 23 10.968 1.098 -0.209
141 HG3 PRO 23 3HG PRO 23 10.950 2.774 0.377
142 HD2 PRO 23 2HD PRO 23 9.234 0.871 1.300
143 HD3 PRO 23 3HD PRO 23 8.829 2.590 1.230
144 H THR 24 H THR 24 6.878 0.113 -2.552
145 HA THR 24 HA THR 24 8.743 -1.942 -3.474
146 HB THR 24 HB THR 24 6.840 -3.448 -3.550
147 HG1 THR 24 HG1 THR 24 5.041 -1.606 -2.495
148 HG21 THR 24 3HG2 THR 24 7.895 -3.060 -1.351
149 HG22 THR 24 1HG2 THR 24 6.182 -3.457 -1.205
150 HG23 THR 24 2HG2 THR 24 6.719 -1.785 -1.028
151 H PHE 25 H PHE 25 8.547 -2.910 -5.553
152 HA PHE 25 HA PHE 25 7.481 -1.054 -7.556
153 HB2 PHE 25 2HB PHE 25 9.923 -2.671 -7.400
154 HB3 PHE 25 3HB PHE 25 9.110 -2.753 -8.957
155 HD1 PHE 25 HD1 PHE 25 10.515 -0.376 -6.468
156 HD2 PHE 25 HD2 PHE 25 9.319 -1.023 -10.505
157 HE1 PHE 25 HE1 PHE 25 11.516 1.779 -7.109
158 HE2 PHE 25 HE2 PHE 25 10.313 1.129 -11.148
159 HZ PHE 25 HZ PHE 25 11.415 2.534 -9.451
160 HA PRO 26 HA PRO 26 7.132 -1.032 -9.755
161 HB2 PRO 26 2HB PRO 26 4.495 -0.945 -10.915
162 HB3 PRO 26 3HB PRO 26 6.035 -1.273 -11.723
163 HG2 PRO 26 2HG PRO 26 4.051 -3.122 -11.409
164 HG3 PRO 26 3HG PRO 26 5.768 -3.519 -11.609
165 HD2 PRO 26 2HD PRO 26 4.126 -3.453 -9.117
166 HD3 PRO 26 3HD PRO 26 5.408 -4.586 -9.597
167 H GLU 27 H GLU 27 4.102 -1.659 -8.050
168 HA GLU 27 HA GLU 27 3.958 1.187 -7.323
169 HB2 GLU 27 2HB GLU 27 1.503 0.691 -6.827
170 HB3 GLU 27 3HB GLU 27 1.979 0.736 -8.515
171 HG2 GLU 27 2HG GLU 27 2.197 -1.839 -8.270
172 HG3 GLU 27 3HG GLU 27 1.200 -1.614 -6.835
173 HA PRO 28 HA PRO 28 4.823 0.126 -3.081
174 HB2 PRO 28 2HB PRO 28 3.357 2.053 -1.770
175 HB3 PRO 28 3HB PRO 28 4.936 2.348 -2.531
176 HG2 PRO 28 2HG PRO 28 2.208 2.929 -3.568
177 HG3 PRO 28 3HG PRO 28 3.682 3.912 -3.662
178 HD2 PRO 28 2HD PRO 28 2.808 2.485 -5.760
179 HD3 PRO 28 3HD PRO 28 4.538 2.699 -5.431
180 H ILE 29 H ILE 29 3.944 -0.725 -1.158
181 HA ILE 29 HA ILE 29 1.116 -1.565 -1.316
182 HB ILE 29 HB ILE 29 3.292 -3.239 -0.047
183 HG12 ILE 29 2HG1 ILE 29 3.922 -3.119 -2.380
184 HG13 ILE 29 3HG1 ILE 29 3.243 -4.705 -2.064
185 HG21 ILE 29 1HG2 ILE 29 0.501 -3.959 -0.935
186 HG22 ILE 29 2HG2 ILE 29 1.061 -3.761 0.724
187 HG23 ILE 29 3HG2 ILE 29 1.681 -5.084 -0.263
188 HD11 ILE 29 3HD1 ILE 29 1.191 -4.094 -3.187
189 HD12 ILE 29 1HD1 ILE 29 2.567 -3.765 -4.242
190 HD13 ILE 29 2HD1 ILE 29 1.764 -2.438 -3.399
191 H CYS 30 H CYS 30 0.051 -1.883 0.719
192 HA CYS 30 HA CYS 30 0.977 -0.041 2.771
193 HB2 CYS 30 2HB CYS 30 -1.621 -1.313 2.040
194 HB3 CYS 30 3HB CYS 30 -1.390 -0.840 3.711
195 H GLY 31 H GLY 31 2.096 -0.734 4.474
196 HA2 GLY 31 2HA GLY 31 1.409 -3.216 5.816
197 HA3 GLY 31 3HA GLY 31 3.008 -3.174 5.103
198 H VAL 32 H VAL 32 2.023 -3.323 7.931
199 HA VAL 32 HA VAL 32 3.047 -0.854 9.093
200 HB VAL 32 HB VAL 32 2.548 -2.121 11.318
201 HG11 VAL 32 1HG1 VAL 32 0.129 -1.461 9.676
202 HG12 VAL 32 2HG1 VAL 32 1.251 -0.216 10.221
203 HG13 VAL 32 3HG1 VAL 32 0.398 -1.211 11.399
204 HG21 VAL 32 3HG2 VAL 32 0.830 -3.819 11.219
205 HG22 VAL 32 1HG2 VAL 32 2.226 -4.350 10.281
206 HG23 VAL 32 2HG2 VAL 32 0.793 -3.730 9.458
Start of MODEL 13
1 H1 PCA 1 HN PCA 1 -17.418 0.665 1.878
2 HA PCA 1 HA PCA 1 -15.547 2.148 2.811
3 HB2 PCA 1 1HB PCA 1 -13.946 -0.096 3.720
4 HB3 PCA 1 2HB PCA 1 -14.429 1.334 4.401
5 HG2 PCA 1 1HG PCA 1 -15.681 -1.214 5.004
6 HG3 PCA 1 2HG PCA 1 -15.994 0.334 5.505
7 H TRP 2 H TRP 2 -13.651 2.571 1.660
8 HA TRP 2 HA TRP 2 -12.788 0.660 -0.370
9 HB2 TRP 2 2HB TRP 2 -13.514 3.538 -0.980
10 HB3 TRP 2 3HB TRP 2 -12.729 2.433 -2.101
11 HD1 TRP 2 HD1 TRP 2 -16.109 3.100 -0.430
12 HE1 TRP 2 HE1 TRP 2 -17.942 1.866 -1.743
13 HE3 TRP 2 HE3 TRP 2 -13.157 0.445 -3.668
14 HZ2 TRP 2 HZ2 TRP 2 -18.123 0.019 -3.868
15 HZ3 TRP 2 HZ3 TRP 2 -14.246 -1.030 -5.308
16 HH2 TRP 2 HH2 TRP 2 -16.676 -1.239 -5.404
17 H CYS 3 H CYS 3 -10.888 0.320 0.589
18 HA CYS 3 HA CYS 3 -8.846 2.343 0.337
19 HB2 CYS 3 2HB CYS 3 -8.054 2.201 2.664
20 HB3 CYS 3 3HB CYS 3 -9.692 2.837 2.595
21 H ALA 4 H ALA 4 -6.672 1.487 0.715
22 HA ALA 4 HA ALA 4 -6.450 -1.260 -0.205
23 HB1 ALA 4 3HB ALA 4 -5.124 0.474 -1.300
24 HB2 ALA 4 1HB ALA 4 -4.073 -0.715 -0.529
25 HB3 ALA 4 2HB ALA 4 -4.337 0.857 0.230
26 H GLU 5 H GLU 5 -6.176 -2.920 1.131
27 HA GLU 5 HA GLU 5 -5.502 -2.435 3.919
28 HB2 GLU 5 2HB GLU 5 -6.257 -4.730 4.318
29 HB3 GLU 5 3HB GLU 5 -7.458 -3.822 3.419
30 HG2 GLU 5 2HG GLU 5 -6.580 -4.921 1.338
31 HG3 GLU 5 3HG GLU 5 -5.610 -5.955 2.380
32 H GLU 6 H GLU 6 -4.447 -5.125 4.392
33 HA GLU 6 HA GLU 6 -1.667 -4.560 3.855
34 HB2 GLU 6 2HB GLU 6 -1.249 -6.616 5.250
35 HB3 GLU 6 3HB GLU 6 -2.118 -5.328 6.062
36 HG2 GLU 6 2HG GLU 6 -4.222 -6.539 5.738
37 HG3 GLU 6 3HG GLU 6 -3.348 -7.831 4.916
38 H GLY 7 H GLY 7 -0.730 -5.109 2.048
39 HA2 GLY 7 2HA GLY 7 0.190 -6.822 0.635
40 HA3 GLY 7 3HA GLY 7 -1.281 -7.754 0.871
41 H GLU 8 H GLU 8 -2.041 -4.532 0.411
42 HA GLU 8 HA GLU 8 -2.557 -4.956 -2.460
43 HB2 GLU 8 2HB GLU 8 -4.169 -3.531 -0.347
44 HB3 GLU 8 3HB GLU 8 -4.421 -3.224 -2.059
45 HG2 GLU 8 2HG GLU 8 -4.557 -5.998 -0.926
46 HG3 GLU 8 3HG GLU 8 -5.946 -4.914 -0.898
47 H SER 9 H SER 9 -2.582 -2.999 -3.792
48 HA SER 9 HA SER 9 -0.296 -1.343 -3.223
49 HB2 SER 9 2HB SER 9 -0.738 -0.410 -5.488
50 HB3 SER 9 3HB SER 9 -0.610 -2.168 -5.471
51 HG SER 9 HG SER 9 -2.955 -2.179 -5.382
52 H CYS 10 H CYS 10 -0.240 0.685 -2.517
53 HA CYS 10 HA CYS 10 -2.792 2.032 -1.984
54 HB2 CYS 10 2HB CYS 10 -1.601 3.330 -0.305
55 HB3 CYS 10 3HB CYS 10 -1.325 1.612 -0.043
56 H GLU 11 H GLU 11 -1.488 1.979 -4.603
57 HA GLU 11 HA GLU 11 -0.428 4.631 -5.052
58 HB2 GLU 11 2HB GLU 11 -0.165 3.928 -7.377
59 HB3 GLU 11 3HB GLU 11 0.491 2.722 -6.282
60 HG2 GLU 11 2HG GLU 11 -0.618 1.289 -7.627
61 HG3 GLU 11 3HG GLU 11 -2.003 1.741 -6.631
62 H VAL 12 H VAL 12 -3.504 3.293 -4.853
63 HA VAL 12 HA VAL 12 -4.665 5.524 -6.375
64 HB VAL 12 HB VAL 12 -5.043 3.377 -7.529
65 HG11 VAL 12 1HG1 VAL 12 -6.938 1.937 -6.312
66 HG12 VAL 12 2HG1 VAL 12 -6.050 2.495 -4.894
67 HG13 VAL 12 3HG1 VAL 12 -5.216 1.590 -6.155
68 HG21 VAL 12 3HG2 VAL 12 -7.510 3.538 -7.765
69 HG22 VAL 12 1HG2 VAL 12 -6.664 5.078 -7.900
70 HG23 VAL 12 2HG2 VAL 12 -7.519 4.671 -6.413
71 H TYR 13 H TYR 13 -4.999 3.358 -3.595
72 HA TYR 13 HA TYR 13 -6.538 5.440 -2.212
73 HB2 TYR 13 2HB TYR 13 -7.093 2.524 -2.490
74 HB3 TYR 13 3HB TYR 13 -7.516 3.323 -0.993
75 HD1 TYR 13 HD2 TYR 13 -8.139 3.302 -4.640
76 HD2 TYR 13 HD1 TYR 13 -9.435 4.703 -0.838
77 HE1 TYR 13 HE2 TYR 13 -10.240 4.070 -5.650
78 HE2 TYR 13 HE1 TYR 13 -11.544 5.470 -1.836
79 HH TYR 13 HH TYR 13 -12.546 4.568 -4.949
80 HA PRO 14 HA PRO 14 -3.555 5.026 1.086
81 HB2 PRO 14 2HB PRO 14 -5.085 5.673 3.253
82 HB3 PRO 14 3HB PRO 14 -4.566 6.876 2.056
83 HG2 PRO 14 2HG PRO 14 -7.197 5.490 2.316
84 HG3 PRO 14 3HG PRO 14 -6.849 7.195 1.958
85 HD2 PRO 14 2HD PRO 14 -7.506 5.409 0.035
86 HD3 PRO 14 3HD PRO 14 -6.423 6.777 -0.259
87 H CYS 15 H CYS 15 -3.546 4.068 3.540
88 HA CYS 15 HA CYS 15 -4.147 1.262 3.244
89 HB2 CYS 15 2HB CYS 15 -2.974 2.692 5.633
90 HB3 CYS 15 3HB CYS 15 -2.969 0.965 5.346
91 H CYS 16 H CYS 16 -5.039 0.160 5.415
92 HA CYS 16 HA CYS 16 -7.557 1.560 6.019
93 HB2 CYS 16 2HB CYS 16 -7.113 -1.420 5.876
94 HB3 CYS 16 3HB CYS 16 -8.651 -0.608 6.150
95 H ASP 17 H ASP 17 -5.410 -0.952 7.404
96 HA ASP 17 HA ASP 17 -6.442 -0.441 10.069
97 HB2 ASP 17 2HB ASP 17 -4.431 -2.409 8.976
98 HB3 ASP 17 3HB ASP 17 -4.772 -2.262 10.697
99 H GLY 18 H GLY 18 -4.536 1.423 8.408
100 HA2 GLY 18 2HA GLY 18 -3.204 3.176 9.215
101 HA3 GLY 18 3HA GLY 18 -2.993 2.296 10.722
102 H LEU 19 H LEU 19 -2.449 0.998 7.509
103 HA LEU 19 HA LEU 19 0.214 0.149 8.175
104 HB2 LEU 19 2HB LEU 19 -1.240 -0.014 5.545
105 HB3 LEU 19 3HB LEU 19 0.179 -0.927 5.994
106 HG LEU 19 HG LEU 19 -2.194 -1.279 7.736
107 HD11 LEU 19 1HD1 LEU 19 -3.302 -2.805 6.233
108 HD12 LEU 19 2HD1 LEU 19 -2.102 -2.502 4.981
109 HD13 LEU 19 3HD1 LEU 19 -3.202 -1.215 5.481
110 HD21 LEU 19 3HD2 LEU 19 -1.273 -3.302 8.166
111 HD22 LEU 19 1HD2 LEU 19 0.186 -2.476 7.621
112 HD23 LEU 19 2HD2 LEU 19 -0.706 -3.519 6.513
113 H ILE 20 H ILE 20 2.010 0.464 6.593
114 HA ILE 20 HA ILE 20 2.155 3.287 5.767
115 HB ILE 20 HB ILE 20 4.398 1.382 6.507
116 HG12 ILE 20 2HG1 ILE 20 4.043 3.909 7.993
117 HG13 ILE 20 3HG1 ILE 20 2.747 2.738 8.209
118 HG21 ILE 20 1HG2 ILE 20 5.383 2.770 4.905
119 HG22 ILE 20 2HG2 ILE 20 5.769 3.573 6.430
120 HG23 ILE 20 3HG2 ILE 20 4.457 4.183 5.416
121 HD11 ILE 20 3HD1 ILE 20 4.435 2.512 9.936
122 HD12 ILE 20 1HD1 ILE 20 5.674 2.245 8.710
123 HD13 ILE 20 2HD1 ILE 20 4.378 1.068 8.927
124 H CYS 21 H CYS 21 2.907 3.828 3.748
125 HA CYS 21 HA CYS 21 2.666 1.816 1.685
126 HB2 CYS 21 2HB CYS 21 3.024 4.799 1.724
127 HB3 CYS 21 3HB CYS 21 3.234 3.897 0.224
128 H TYR 22 H TYR 22 4.337 0.486 1.514
129 HA TYR 22 HA TYR 22 7.053 1.315 1.930
130 HB2 TYR 22 2HB TYR 22 5.682 -1.262 1.288
131 HB3 TYR 22 3HB TYR 22 7.424 -1.129 1.059
132 HD1 TYR 22 HD2 TYR 22 8.911 -0.841 2.954
133 HD2 TYR 22 HD1 TYR 22 4.714 -1.246 3.514
134 HE1 TYR 22 HE2 TYR 22 9.281 -1.281 5.343
135 HE2 TYR 22 HE1 TYR 22 5.071 -1.689 5.909
136 HH TYR 22 HH TYR 22 8.035 -1.131 7.460
137 HA PRO 23 HA PRO 23 7.942 2.394 -2.307
138 HB2 PRO 23 2HB PRO 23 10.669 2.227 -2.234
139 HB3 PRO 23 3HB PRO 23 9.767 3.554 -1.475
140 HG2 PRO 23 2HG PRO 23 10.961 1.129 -0.220
141 HG3 PRO 23 3HG PRO 23 10.937 2.807 0.361
142 HD2 PRO 23 2HD PRO 23 9.229 0.899 1.292
143 HD3 PRO 23 3HD PRO 23 8.818 2.619 1.217
144 H THR 24 H THR 24 6.872 0.123 -2.555
145 HA THR 24 HA THR 24 8.744 -1.926 -3.474
146 HB THR 24 HB THR 24 6.846 -3.439 -3.545
147 HG1 THR 24 HG1 THR 24 5.053 -1.576 -2.503
148 HG21 THR 24 3HG2 THR 24 7.902 -3.043 -1.349
149 HG22 THR 24 1HG2 THR 24 6.192 -3.446 -1.199
150 HG23 THR 24 2HG2 THR 24 6.721 -1.771 -1.026
151 H PHE 25 H PHE 25 8.558 -2.895 -5.551
152 HA PHE 25 HA PHE 25 7.478 -1.051 -7.556
153 HB2 PHE 25 2HB PHE 25 9.928 -2.656 -7.400
154 HB3 PHE 25 3HB PHE 25 9.116 -2.744 -8.956
155 HD1 PHE 25 HD1 PHE 25 10.507 -0.354 -6.473
156 HD2 PHE 25 HD2 PHE 25 9.316 -1.016 -10.508
157 HE1 PHE 25 HE1 PHE 25 11.497 1.806 -7.118
158 HE2 PHE 25 HE2 PHE 25 10.296 1.141 -11.156
159 HZ PHE 25 HZ PHE 25 11.391 2.556 -9.461
160 HA PRO 26 HA PRO 26 7.129 -1.037 -9.757
161 HB2 PRO 26 2HB PRO 26 4.491 -0.965 -10.916
162 HB3 PRO 26 3HB PRO 26 6.033 -1.288 -11.724
163 HG2 PRO 26 2HG PRO 26 4.058 -3.145 -11.404
164 HG3 PRO 26 3HG PRO 26 5.775 -3.535 -11.606
165 HD2 PRO 26 2HD PRO 26 4.135 -3.472 -9.112
166 HD3 PRO 26 3HD PRO 26 5.424 -4.596 -9.590
167 H GLU 27 H GLU 27 4.105 -1.672 -8.047
168 HA GLU 27 HA GLU 27 3.948 1.174 -7.328
169 HB2 GLU 27 2HB GLU 27 1.496 0.674 -6.833
170 HB3 GLU 27 3HB GLU 27 1.973 0.710 -8.520
171 HG2 GLU 27 2HG GLU 27 2.195 -1.860 -8.263
172 HG3 GLU 27 3HG GLU 27 1.200 -1.632 -6.826
173 HA PRO 28 HA PRO 28 4.818 0.128 -3.084
174 HB2 PRO 28 2HB PRO 28 3.344 2.052 -1.777
175 HB3 PRO 28 3HB PRO 28 4.922 2.351 -2.539
176 HG2 PRO 28 2HG PRO 28 2.192 2.920 -3.578
177 HG3 PRO 28 3HG PRO 28 3.663 3.907 -3.675
178 HD2 PRO 28 2HD PRO 28 2.794 2.472 -5.769
179 HD3 PRO 28 3HD PRO 28 4.524 2.693 -5.439
180 H ILE 29 H ILE 29 3.942 -0.723 -1.159
181 HA ILE 29 HA ILE 29 1.117 -1.569 -1.315
182 HB ILE 29 HB ILE 29 3.295 -3.240 -0.046
183 HG12 ILE 29 2HG1 ILE 29 3.924 -3.118 -2.380
184 HG13 ILE 29 3HG1 ILE 29 3.251 -4.707 -2.061
185 HG21 ILE 29 1HG2 ILE 29 1.688 -5.087 -0.260
186 HG22 ILE 29 2HG2 ILE 29 0.506 -3.965 -0.933
187 HG23 ILE 29 3HG2 ILE 29 1.066 -3.764 0.727
188 HD11 ILE 29 3HD1 ILE 29 1.765 -2.446 -3.399
189 HD12 ILE 29 1HD1 ILE 29 1.194 -4.102 -3.182
190 HD13 ILE 29 2HD1 ILE 29 2.567 -3.775 -4.238
191 H CYS 30 H CYS 30 0.055 -1.891 0.723
192 HA CYS 30 HA CYS 30 0.979 -0.045 2.772
193 HB2 CYS 30 2HB CYS 30 -1.617 -1.322 2.044
194 HB3 CYS 30 3HB CYS 30 -1.386 -0.845 3.715
195 H GLY 31 H GLY 31 2.101 -0.733 4.476
196 HA2 GLY 31 2HA GLY 31 1.420 -3.219 5.814
197 HA3 GLY 31 3HA GLY 31 3.021 -3.170 5.105
198 H VAL 32 H VAL 32 2.029 -3.325 7.932
199 HA VAL 32 HA VAL 32 3.038 -0.852 9.100
200 HB VAL 32 HB VAL 32 2.542 -2.126 11.321
201 HG11 VAL 32 1HG1 VAL 32 0.125 -1.473 9.672
202 HG12 VAL 32 2HG1 VAL 32 1.238 -0.225 10.228
203 HG13 VAL 32 3HG1 VAL 32 0.385 -1.229 11.397
204 HG21 VAL 32 3HG2 VAL 32 2.233 -4.354 10.271
205 HG22 VAL 32 1HG2 VAL 32 0.793 -3.739 9.459
206 HG23 VAL 32 2HG2 VAL 32 0.840 -3.837 11.219
Start of MODEL 14
1 H1 PCA 1 HN PCA 1 -17.412 0.615 1.920
2 HA PCA 1 HA PCA 1 -15.542 2.102 2.849
3 HB2 PCA 1 1HB PCA 1 -13.930 -0.135 3.747
4 HB3 PCA 1 2HB PCA 1 -14.413 1.293 4.432
5 HG2 PCA 1 1HG PCA 1 -15.656 -1.259 5.039
6 HG3 PCA 1 2HG PCA 1 -15.971 0.289 5.540
7 H TRP 2 H TRP 2 -13.652 2.537 1.691
8 HA TRP 2 HA TRP 2 -12.791 0.632 -0.348
9 HB2 TRP 2 2HB TRP 2 -13.528 3.509 -0.949
10 HB3 TRP 2 3HB TRP 2 -12.745 2.410 -2.074
11 HD1 TRP 2 HD1 TRP 2 -16.121 3.064 -0.389
12 HE1 TRP 2 HE1 TRP 2 -17.955 1.827 -1.696
13 HE3 TRP 2 HE3 TRP 2 -13.175 0.423 -3.643
14 HZ2 TRP 2 HZ2 TRP 2 -18.138 -0.018 -3.822
15 HZ3 TRP 2 HZ3 TRP 2 -14.264 -1.054 -5.281
16 HH2 TRP 2 HH2 TRP 2 -16.695 -1.269 -5.367
17 H CYS 3 H CYS 3 -10.887 0.297 0.603
18 HA CYS 3 HA CYS 3 -8.853 2.329 0.348
19 HB2 CYS 3 2HB CYS 3 -8.049 2.175 2.673
20 HB3 CYS 3 3HB CYS 3 -9.686 2.814 2.613
21 H ALA 4 H ALA 4 -6.674 1.483 0.703
22 HA ALA 4 HA ALA 4 -6.447 -1.261 -0.226
23 HB1 ALA 4 3HB ALA 4 -4.081 -0.710 -0.575
24 HB2 ALA 4 1HB ALA 4 -4.328 0.851 0.212
25 HB3 ALA 4 2HB ALA 4 -5.134 0.496 -1.314
26 H GLU 5 H GLU 5 -6.187 -2.918 1.113
27 HA GLU 5 HA GLU 5 -5.497 -2.451 3.896
28 HB2 GLU 5 2HB GLU 5 -6.236 -4.753 4.280
29 HB3 GLU 5 3HB GLU 5 -7.445 -3.847 3.385
30 HG2 GLU 5 2HG GLU 5 -6.553 -4.928 1.297
31 HG3 GLU 5 3HG GLU 5 -5.581 -5.964 2.337
32 H GLU 6 H GLU 6 -4.422 -5.133 4.355
33 HA GLU 6 HA GLU 6 -1.647 -4.546 3.816
34 HB2 GLU 6 2HB GLU 6 -1.213 -6.603 5.205
35 HB3 GLU 6 3HB GLU 6 -2.090 -5.321 6.023
36 HG2 GLU 6 2HG GLU 6 -4.185 -6.547 5.697
37 HG3 GLU 6 3HG GLU 6 -3.304 -7.831 4.870
38 H GLY 7 H GLY 7 -0.708 -5.083 2.008
39 HA2 GLY 7 2HA GLY 7 0.223 -6.797 0.596
40 HA3 GLY 7 3HA GLY 7 -1.249 -7.728 0.820
41 H GLU 8 H GLU 8 -2.056 -4.530 0.379
42 HA GLU 8 HA GLU 8 -2.539 -4.931 -2.499
43 HB2 GLU 8 2HB GLU 8 -4.164 -3.518 -0.389
44 HB3 GLU 8 3HB GLU 8 -4.408 -3.209 -2.101
45 HG2 GLU 8 2HG GLU 8 -4.540 -5.986 -0.976
46 HG3 GLU 8 3HG GLU 8 -5.933 -4.907 -0.947
47 H SER 9 H SER 9 -2.560 -2.968 -3.825
48 HA SER 9 HA SER 9 -0.282 -1.308 -3.229
49 HB2 SER 9 2HB SER 9 -0.730 -0.349 -5.488
50 HB3 SER 9 3HB SER 9 -0.561 -2.101 -5.488
51 HG SER 9 HG SER 9 -2.458 -2.155 -6.364
52 H CYS 10 H CYS 10 -0.231 0.715 -2.520
53 HA CYS 10 HA CYS 10 -2.790 2.049 -1.979
54 HB2 CYS 10 2HB CYS 10 -1.599 3.349 -0.298
55 HB3 CYS 10 3HB CYS 10 -1.315 1.631 -0.042
56 H GLU 11 H GLU 11 -1.507 2.015 -4.600
57 HA GLU 11 HA GLU 11 -0.457 4.675 -5.045
58 HB2 GLU 11 2HB GLU 11 -0.196 3.980 -7.372
59 HB3 GLU 11 3HB GLU 11 0.472 2.777 -6.282
60 HG2 GLU 11 2HG GLU 11 -0.629 1.336 -7.625
61 HG3 GLU 11 3HG GLU 11 -2.014 1.775 -6.626
62 H VAL 12 H VAL 12 -3.526 3.309 -4.851
63 HA VAL 12 HA VAL 12 -4.705 5.537 -6.365
64 HB VAL 12 HB VAL 12 -5.071 3.389 -7.520
65 HG11 VAL 12 1HG1 VAL 12 -5.228 1.601 -6.148
66 HG12 VAL 12 2HG1 VAL 12 -6.953 1.934 -6.300
67 HG13 VAL 12 3HG1 VAL 12 -6.067 2.500 -4.885
68 HG21 VAL 12 3HG2 VAL 12 -6.704 5.077 -7.890
69 HG22 VAL 12 1HG2 VAL 12 -7.550 4.669 -6.400
70 HG23 VAL 12 2HG2 VAL 12 -7.541 3.532 -7.748
71 H TYR 13 H TYR 13 -5.016 3.367 -3.586
72 HA TYR 13 HA TYR 13 -6.561 5.438 -2.197
73 HB2 TYR 13 2HB TYR 13 -7.106 2.520 -2.479
74 HB3 TYR 13 3HB TYR 13 -7.528 3.314 -0.980
75 HD1 TYR 13 HD2 TYR 13 -8.160 3.295 -4.625
76 HD2 TYR 13 HD1 TYR 13 -9.453 4.689 -0.818
77 HE1 TYR 13 HE2 TYR 13 -10.266 4.057 -5.629
78 HE2 TYR 13 HE1 TYR 13 -11.567 5.449 -1.811
79 HH TYR 13 HH TYR 13 -12.436 6.108 -4.016
80 HA PRO 14 HA PRO 14 -3.568 5.026 1.094
81 HB2 PRO 14 2HB PRO 14 -5.095 5.662 3.266
82 HB3 PRO 14 3HB PRO 14 -4.583 6.869 2.069
83 HG2 PRO 14 2HG PRO 14 -7.209 5.475 2.333
84 HG3 PRO 14 3HG PRO 14 -6.868 7.182 1.979
85 HD2 PRO 14 2HD PRO 14 -7.524 5.398 0.052
86 HD3 PRO 14 3HD PRO 14 -6.445 6.771 -0.240
87 H CYS 15 H CYS 15 -3.554 4.062 3.548
88 HA CYS 15 HA CYS 15 -4.142 1.255 3.245
89 HB2 CYS 15 2HB CYS 15 -2.983 2.685 5.642
90 HB3 CYS 15 3HB CYS 15 -2.967 0.959 5.349
91 H CYS 16 H CYS 16 -5.033 0.145 5.415
92 HA CYS 16 HA CYS 16 -7.561 1.528 6.011
93 HB2 CYS 16 2HB CYS 16 -7.090 -1.447 5.867
94 HB3 CYS 16 3HB CYS 16 -8.635 -0.653 6.151
95 H ASP 17 H ASP 17 -5.392 -0.957 7.409
96 HA ASP 17 HA ASP 17 -6.436 -0.444 10.071
97 HB2 ASP 17 2HB ASP 17 -4.418 -2.410 8.990
98 HB3 ASP 17 3HB ASP 17 -4.763 -2.256 10.709
99 H GLY 18 H GLY 18 -4.537 1.421 8.405
100 HA2 GLY 18 2HA GLY 18 -3.210 3.182 9.208
101 HA3 GLY 18 3HA GLY 18 -2.999 2.307 10.718
102 H LEU 19 H LEU 19 -2.445 1.003 7.510
103 HA LEU 19 HA LEU 19 0.218 0.158 8.182
104 HB2 LEU 19 2HB LEU 19 -1.231 -0.010 5.551
105 HB3 LEU 19 3HB LEU 19 0.189 -0.920 6.002
106 HG LEU 19 HG LEU 19 -2.189 -1.274 7.740
107 HD11 LEU 19 1HD1 LEU 19 -2.079 -2.500 4.987
108 HD12 LEU 19 2HD1 LEU 19 -3.190 -1.223 5.484
109 HD13 LEU 19 3HD1 LEU 19 -3.282 -2.814 6.236
110 HD21 LEU 19 3HD2 LEU 19 0.200 -2.465 7.627
111 HD22 LEU 19 1HD2 LEU 19 -0.696 -3.519 6.535
112 HD23 LEU 19 2HD2 LEU 19 -1.256 -3.284 8.190
113 H ILE 20 H ILE 20 2.015 0.472 6.599
114 HA ILE 20 HA ILE 20 2.161 3.295 5.773
115 HB ILE 20 HB ILE 20 4.403 1.387 6.509
116 HG12 ILE 20 2HG1 ILE 20 4.052 3.909 8.003
117 HG13 ILE 20 3HG1 ILE 20 2.755 2.738 8.217
118 HG21 ILE 20 1HG2 ILE 20 5.774 3.580 6.437
119 HG22 ILE 20 2HG2 ILE 20 4.463 4.189 5.424
120 HG23 ILE 20 3HG2 ILE 20 5.391 2.778 4.912
121 HD11 ILE 20 3HD1 ILE 20 5.681 2.240 8.713
122 HD12 ILE 20 1HD1 ILE 20 4.383 1.064 8.927
123 HD13 ILE 20 2HD1 ILE 20 4.445 2.507 9.941
124 H CYS 21 H CYS 21 2.913 3.836 3.756
125 HA CYS 21 HA CYS 21 2.672 1.826 1.690
126 HB2 CYS 21 2HB CYS 21 3.032 4.810 1.730
127 HB3 CYS 21 3HB CYS 21 3.238 3.907 0.231
128 H TYR 22 H TYR 22 4.344 0.497 1.514
129 HA TYR 22 HA TYR 22 7.059 1.332 1.932
130 HB2 TYR 22 2HB TYR 22 5.697 -1.253 1.293
131 HB3 TYR 22 3HB TYR 22 7.439 -1.112 1.074
132 HD1 TYR 22 HD1 TYR 22 8.915 -0.808 2.976
133 HD2 TYR 22 HD2 TYR 22 4.719 -1.242 3.515
134 HE1 TYR 22 HE1 TYR 22 9.276 -1.240 5.368
135 HE2 TYR 22 HE2 TYR 22 5.065 -1.677 5.911
136 HH TYR 22 HH TYR 22 6.853 -2.478 7.397
137 HA PRO 23 HA PRO 23 7.946 2.397 -2.309
138 HB2 PRO 23 2HB PRO 23 10.672 2.229 -2.237
139 HB3 PRO 23 3HB PRO 23 9.773 3.558 -1.483
140 HG2 PRO 23 2HG PRO 23 10.966 1.136 -0.220
141 HG3 PRO 23 3HG PRO 23 10.943 2.816 0.355
142 HD2 PRO 23 2HD PRO 23 9.236 0.912 1.293
143 HD3 PRO 23 3HD PRO 23 8.824 2.632 1.214
144 H THR 24 H THR 24 6.875 0.118 -2.541
145 HA THR 24 HA THR 24 8.748 -1.932 -3.455
146 HB THR 24 HB THR 24 6.851 -3.446 -3.517
147 HG1 THR 24 HG1 THR 24 5.406 -1.384 -3.980
148 HG21 THR 24 3HG2 THR 24 6.210 -3.452 -1.170
149 HG22 THR 24 1HG2 THR 24 6.727 -1.772 -1.003
150 HG23 THR 24 2HG2 THR 24 7.917 -3.036 -1.325
151 H PHE 25 H PHE 25 8.554 -2.917 -5.526
152 HA PHE 25 HA PHE 25 7.453 -1.093 -7.540
153 HB2 PHE 25 2HB PHE 25 9.927 -2.654 -7.382
154 HB3 PHE 25 3HB PHE 25 9.110 -2.779 -8.931
155 HD1 PHE 25 HD2 PHE 25 10.475 -0.332 -6.489
156 HD2 PHE 25 HD1 PHE 25 9.265 -1.067 -10.506
157 HE1 PHE 25 HE2 PHE 25 11.421 1.835 -7.170
158 HE2 PHE 25 HE1 PHE 25 10.204 1.097 -11.190
159 HZ PHE 25 HZ PHE 25 11.285 2.553 -9.522
160 HA PRO 26 HA PRO 26 7.087 -1.106 -9.752
161 HB2 PRO 26 2HB PRO 26 4.414 -1.076 -10.849
162 HB3 PRO 26 3HB PRO 26 5.946 -1.356 -11.693
163 HG2 PRO 26 2HG PRO 26 4.032 -3.264 -11.347
164 HG3 PRO 26 3HG PRO 26 5.757 -3.610 -11.571
165 HD2 PRO 26 2HD PRO 26 4.144 -3.594 -9.057
166 HD3 PRO 26 3HD PRO 26 5.456 -4.684 -9.553
167 H GLU 27 H GLU 27 4.018 -1.717 -8.062
168 HA GLU 27 HA GLU 27 3.922 1.126 -7.329
169 HB2 GLU 27 2HB GLU 27 1.495 0.756 -6.834
170 HB3 GLU 27 3HB GLU 27 1.931 0.593 -8.525
171 HG2 GLU 27 2HG GLU 27 1.754 -1.836 -6.792
172 HG3 GLU 27 3HG GLU 27 0.288 -1.095 -7.431
173 HA PRO 28 HA PRO 28 4.823 0.125 -3.081
174 HB2 PRO 28 2HB PRO 28 3.356 2.060 -1.780
175 HB3 PRO 28 3HB PRO 28 4.930 2.354 -2.554
176 HG2 PRO 28 2HG PRO 28 2.193 2.916 -3.578
177 HG3 PRO 28 3HG PRO 28 3.664 3.899 -3.695
178 HD2 PRO 28 2HD PRO 28 2.775 2.445 -5.769
179 HD3 PRO 28 3HD PRO 28 4.507 2.671 -5.459
180 H ILE 29 H ILE 29 3.955 -0.737 -1.158
181 HA ILE 29 HA ILE 29 1.123 -1.562 -1.305
182 HB ILE 29 HB ILE 29 3.288 -3.249 -0.039
183 HG12 ILE 29 2HG1 ILE 29 3.926 -3.118 -2.370
184 HG13 ILE 29 3HG1 ILE 29 3.245 -4.705 -2.060
185 HG21 ILE 29 1HG2 ILE 29 1.664 -5.083 -0.276
186 HG22 ILE 29 2HG2 ILE 29 0.495 -3.943 -0.943
187 HG23 ILE 29 3HG2 ILE 29 1.052 -3.763 0.721
188 HD11 ILE 29 3HD1 ILE 29 2.578 -3.748 -4.239
189 HD12 ILE 29 1HD1 ILE 29 1.763 -2.433 -3.388
190 HD13 ILE 29 2HD1 ILE 29 1.200 -4.095 -3.194
191 H CYS 30 H CYS 30 0.057 -1.871 0.722
192 HA CYS 30 HA CYS 30 0.986 -0.034 2.775
193 HB2 CYS 30 2HB CYS 30 -1.611 -1.303 2.040
194 HB3 CYS 30 3HB CYS 30 -1.384 -0.836 3.712
195 H GLY 31 H GLY 31 2.108 -0.727 4.478
196 HA2 GLY 31 2HA GLY 31 1.420 -3.211 5.817
197 HA3 GLY 31 3HA GLY 31 3.022 -3.163 5.110
198 H VAL 32 H VAL 32 2.030 -3.323 7.935
199 HA VAL 32 HA VAL 32 3.037 -0.851 9.106
200 HB VAL 32 HB VAL 32 2.539 -2.128 11.325
201 HG11 VAL 32 1HG1 VAL 32 1.239 -0.223 10.237
202 HG12 VAL 32 2HG1 VAL 32 0.384 -1.230 11.402
203 HG13 VAL 32 3HG1 VAL 32 0.124 -1.470 9.677
204 HG21 VAL 32 3HG2 VAL 32 2.231 -4.353 10.271
205 HG22 VAL 32 1HG2 VAL 32 0.791 -3.735 9.460
206 HG23 VAL 32 2HG2 VAL 32 0.836 -3.837 11.221
Start of MODEL 15
1 H1 PCA 1 HN PCA 1 -17.396 0.671 2.093
2 HA PCA 1 HA PCA 1 -15.505 2.151 2.990
3 HB2 PCA 1 1HB PCA 1 -13.884 -0.095 3.856
4 HB3 PCA 1 2HB PCA 1 -14.350 1.334 4.550
5 HG2 PCA 1 1HG PCA 1 -15.591 -1.213 5.177
6 HG3 PCA 1 2HG PCA 1 -15.891 0.333 5.686
7 H TRP 2 H TRP 2 -13.634 2.580 1.801
8 HA TRP 2 HA TRP 2 -12.812 0.678 -0.256
9 HB2 TRP 2 2HB TRP 2 -13.556 3.557 -0.842
10 HB3 TRP 2 3HB TRP 2 -12.795 2.455 -1.982
11 HD1 TRP 2 HD1 TRP 2 -16.139 3.121 -0.240
12 HE1 TRP 2 HE1 TRP 2 -17.999 1.887 -1.511
13 HE3 TRP 2 HE3 TRP 2 -13.259 0.460 -3.536
14 HZ2 TRP 2 HZ2 TRP 2 -18.226 0.035 -3.628
15 HZ3 TRP 2 HZ3 TRP 2 -14.381 -1.017 -5.149
16 HH2 TRP 2 HH2 TRP 2 -16.814 -1.225 -5.193
17 H CYS 3 H CYS 3 -10.892 0.339 0.657
18 HA CYS 3 HA CYS 3 -8.857 2.365 0.366
19 HB2 CYS 3 2HB CYS 3 -8.017 2.207 2.685
20 HB3 CYS 3 3HB CYS 3 -9.644 2.876 2.635
21 H ALA 4 H ALA 4 -6.671 1.500 0.727
22 HA ALA 4 HA ALA 4 -6.465 -1.241 -0.206
23 HB1 ALA 4 3HB ALA 4 -4.330 0.849 0.249
24 HB2 ALA 4 1HB ALA 4 -5.134 0.510 -1.282
25 HB3 ALA 4 2HB ALA 4 -4.093 -0.710 -0.545
26 H GLU 5 H GLU 5 -6.166 -2.919 1.111
27 HA GLU 5 HA GLU 5 -5.510 -2.451 3.907
28 HB2 GLU 5 2HB GLU 5 -6.253 -4.753 4.287
29 HB3 GLU 5 3HB GLU 5 -7.456 -3.844 3.390
30 HG2 GLU 5 2HG GLU 5 -6.553 -4.925 1.304
31 HG3 GLU 5 3HG GLU 5 -5.598 -5.969 2.352
32 H GLU 6 H GLU 6 -4.443 -5.129 4.377
33 HA GLU 6 HA GLU 6 -1.664 -4.552 3.843
34 HB2 GLU 6 2HB GLU 6 -1.237 -6.596 5.252
35 HB3 GLU 6 3HB GLU 6 -2.113 -5.306 6.055
36 HG2 GLU 6 2HG GLU 6 -4.210 -6.530 5.734
37 HG3 GLU 6 3HG GLU 6 -3.329 -7.824 4.925
38 H GLY 7 H GLY 7 -0.724 -5.106 2.039
39 HA2 GLY 7 2HA GLY 7 0.206 -6.827 0.638
40 HA3 GLY 7 3HA GLY 7 -1.260 -7.764 0.882
41 H GLU 8 H GLU 8 -2.033 -4.549 0.398
42 HA GLU 8 HA GLU 8 -2.552 -4.994 -2.468
43 HB2 GLU 8 2HB GLU 8 -4.168 -3.582 -0.353
44 HB3 GLU 8 3HB GLU 8 -4.411 -3.247 -2.061
45 HG2 GLU 8 2HG GLU 8 -4.556 -6.039 -0.970
46 HG3 GLU 8 3HG GLU 8 -5.944 -4.954 -0.935
47 H SER 9 H SER 9 -2.601 -3.030 -3.806
48 HA SER 9 HA SER 9 -0.316 -1.369 -3.250
49 HB2 SER 9 2HB SER 9 -0.744 -0.449 -5.505
50 HB3 SER 9 3HB SER 9 -0.680 -2.207 -5.501
51 HG SER 9 HG SER 9 -2.461 -1.702 -6.670
52 H CYS 10 H CYS 10 -0.248 0.718 -2.670
53 HA CYS 10 HA CYS 10 -2.818 2.026 -2.075
54 HB2 CYS 10 2HB CYS 10 -1.642 3.292 -0.352
55 HB3 CYS 10 3HB CYS 10 -1.397 1.568 -0.113
56 H GLU 11 H GLU 11 -1.674 2.071 -4.692
57 HA GLU 11 HA GLU 11 -0.506 4.703 -5.057
58 HB2 GLU 11 2HB GLU 11 -0.355 4.102 -7.435
59 HB3 GLU 11 3HB GLU 11 0.368 2.879 -6.404
60 HG2 GLU 11 2HG GLU 11 -1.245 1.312 -6.900
61 HG3 GLU 11 3HG GLU 11 -2.456 2.527 -7.304
62 H VAL 12 H VAL 12 -3.626 3.394 -4.930
63 HA VAL 12 HA VAL 12 -4.743 5.746 -6.300
64 HB VAL 12 HB VAL 12 -5.234 3.687 -7.552
65 HG11 VAL 12 1HG1 VAL 12 -5.391 1.830 -6.268
66 HG12 VAL 12 2HG1 VAL 12 -7.110 2.215 -6.344
67 HG13 VAL 12 3HG1 VAL 12 -6.163 2.681 -4.931
68 HG21 VAL 12 3HG2 VAL 12 -6.835 5.453 -7.745
69 HG22 VAL 12 1HG2 VAL 12 -7.647 4.946 -6.263
70 HG23 VAL 12 2HG2 VAL 12 -7.700 3.917 -7.693
71 H TYR 13 H TYR 13 -5.102 3.463 -3.621
72 HA TYR 13 HA TYR 13 -6.582 5.515 -2.132
73 HB2 TYR 13 2HB TYR 13 -7.139 2.609 -2.492
74 HB3 TYR 13 3HB TYR 13 -7.526 3.353 -0.958
75 HD1 TYR 13 HD1 TYR 13 -8.247 3.446 -4.585
76 HD2 TYR 13 HD2 TYR 13 -9.437 4.741 -0.710
77 HE1 TYR 13 HE1 TYR 13 -10.377 4.248 -5.513
78 HE2 TYR 13 HE2 TYR 13 -11.569 5.542 -1.627
79 HH TYR 13 HH TYR 13 -12.489 6.267 -3.790
80 HA PRO 14 HA PRO 14 -3.528 5.016 1.085
81 HB2 PRO 14 2HB PRO 14 -4.997 5.641 3.294
82 HB3 PRO 14 3HB PRO 14 -4.523 6.857 2.092
83 HG2 PRO 14 2HG PRO 14 -7.135 5.449 2.415
84 HG3 PRO 14 3HG PRO 14 -6.811 7.163 2.074
85 HD2 PRO 14 2HD PRO 14 -7.508 5.398 0.144
86 HD3 PRO 14 3HD PRO 14 -6.450 6.784 -0.160
87 H CYS 15 H CYS 15 -3.590 4.068 3.592
88 HA CYS 15 HA CYS 15 -4.146 1.249 3.251
89 HB2 CYS 15 2HB CYS 15 -2.974 2.668 5.648
90 HB3 CYS 15 3HB CYS 15 -2.962 0.943 5.348
91 H CYS 16 H CYS 16 -5.029 0.134 5.427
92 HA CYS 16 HA CYS 16 -7.548 1.527 6.044
93 HB2 CYS 16 2HB CYS 16 -7.100 -1.451 5.864
94 HB3 CYS 16 3HB CYS 16 -8.637 -0.647 6.168
95 H ASP 17 H ASP 17 -5.389 -0.989 7.402
96 HA ASP 17 HA ASP 17 -6.417 -0.508 10.074
97 HB2 ASP 17 2HB ASP 17 -4.400 -2.455 8.958
98 HB3 ASP 17 3HB ASP 17 -4.736 -2.325 10.681
99 H GLY 18 H GLY 18 -4.531 1.385 8.428
100 HA2 GLY 18 2HA GLY 18 -3.206 3.137 9.247
101 HA3 GLY 18 3HA GLY 18 -2.983 2.243 10.745
102 H LEU 19 H LEU 19 -2.444 0.968 7.524
103 HA LEU 19 HA LEU 19 0.230 0.140 8.171
104 HB2 LEU 19 2HB LEU 19 -1.231 -0.029 5.546
105 HB3 LEU 19 3HB LEU 19 0.192 -0.935 5.993
106 HG LEU 19 HG LEU 19 -2.174 -1.303 7.740
107 HD11 LEU 19 1HD1 LEU 19 -3.275 -2.837 6.235
108 HD12 LEU 19 2HD1 LEU 19 -2.083 -2.511 4.977
109 HD13 LEU 19 3HD1 LEU 19 -3.194 -1.239 5.492
110 HD21 LEU 19 3HD2 LEU 19 0.210 -2.487 7.619
111 HD22 LEU 19 1HD2 LEU 19 -0.669 -3.528 6.502
112 HD23 LEU 19 2HD2 LEU 19 -1.244 -3.328 8.157
113 H ILE 20 H ILE 20 2.005 0.470 6.551
114 HA ILE 20 HA ILE 20 2.114 3.297 5.730
115 HB ILE 20 HB ILE 20 4.386 1.430 6.478
116 HG12 ILE 20 2HG1 ILE 20 3.994 3.955 7.959
117 HG13 ILE 20 3HG1 ILE 20 2.712 2.768 8.176
118 HG21 ILE 20 1HG2 ILE 20 5.357 2.825 4.879
119 HG22 ILE 20 2HG2 ILE 20 5.715 3.653 6.397
120 HG23 ILE 20 3HG2 ILE 20 4.397 4.223 5.367
121 HD11 ILE 20 3HD1 ILE 20 5.645 2.311 8.679
122 HD12 ILE 20 1HD1 ILE 20 4.362 1.120 8.899
123 HD13 ILE 20 2HD1 ILE 20 4.403 2.568 9.904
124 H CYS 21 H CYS 21 2.850 3.839 3.709
125 HA CYS 21 HA CYS 21 2.647 1.813 1.655
126 HB2 CYS 21 2HB CYS 21 2.955 4.802 1.677
127 HB3 CYS 21 3HB CYS 21 3.176 3.894 0.182
128 H TYR 22 H TYR 22 4.340 0.507 1.505
129 HA TYR 22 HA TYR 22 7.042 1.388 1.913
130 HB2 TYR 22 2HB TYR 22 5.719 -1.223 1.292
131 HB3 TYR 22 3HB TYR 22 7.460 -1.058 1.082
132 HD1 TYR 22 HD2 TYR 22 8.917 -0.705 2.993
133 HD2 TYR 22 HD1 TYR 22 4.727 -1.220 3.502
134 HE1 TYR 22 HE2 TYR 22 9.270 -1.117 5.391
135 HE2 TYR 22 HE1 TYR 22 5.065 -1.635 5.904
136 HH TYR 22 HH TYR 22 7.991 -0.982 7.489
137 HA PRO 23 HA PRO 23 7.922 2.419 -2.336
138 HB2 PRO 23 2HB PRO 23 10.650 2.289 -2.259
139 HB3 PRO 23 3HB PRO 23 9.733 3.612 -1.518
140 HG2 PRO 23 2HG PRO 23 10.955 1.217 -0.234
141 HG3 PRO 23 3HG PRO 23 10.911 2.901 0.328
142 HD2 PRO 23 2HD PRO 23 9.227 0.983 1.279
143 HD3 PRO 23 3HD PRO 23 8.794 2.696 1.187
144 H THR 24 H THR 24 6.880 0.127 -2.546
145 HA THR 24 HA THR 24 8.781 -1.912 -3.432
146 HB THR 24 HB THR 24 6.896 -3.447 -3.487
147 HG1 THR 24 HG1 THR 24 5.421 -1.450 -3.998
148 HG21 THR 24 3HG2 THR 24 7.965 -3.011 -1.302
149 HG22 THR 24 1HG2 THR 24 6.262 -3.446 -1.138
150 HG23 THR 24 2HG2 THR 24 6.762 -1.760 -0.982
151 H PHE 25 H PHE 25 8.647 -2.892 -5.492
152 HA PHE 25 HA PHE 25 7.531 -1.106 -7.529
153 HB2 PHE 25 2HB PHE 25 10.009 -2.665 -7.339
154 HB3 PHE 25 3HB PHE 25 9.205 -2.787 -8.898
155 HD1 PHE 25 HD1 PHE 25 10.543 -0.344 -6.438
156 HD2 PHE 25 HD2 PHE 25 9.381 -1.076 -10.469
157 HE1 PHE 25 HE1 PHE 25 11.498 1.824 -7.106
158 HE2 PHE 25 HE2 PHE 25 10.328 1.089 -11.141
159 HZ PHE 25 HZ PHE 25 11.390 2.544 -9.459
160 HA PRO 26 HA PRO 26 7.192 -1.131 -9.729
161 HB2 PRO 26 2HB PRO 26 4.565 -1.125 -10.909
162 HB3 PRO 26 3HB PRO 26 6.119 -1.436 -11.698
163 HG2 PRO 26 2HG PRO 26 4.172 -3.321 -11.363
164 HG3 PRO 26 3HG PRO 26 5.896 -3.685 -11.547
165 HD2 PRO 26 2HD PRO 26 4.239 -3.608 -9.065
166 HD3 PRO 26 3HD PRO 26 5.550 -4.719 -9.517
167 H GLU 27 H GLU 27 4.190 -1.802 -8.006
168 HA GLU 27 HA GLU 27 3.952 1.056 -7.355
169 HB2 GLU 27 2HB GLU 27 1.518 0.531 -6.873
170 HB3 GLU 27 3HB GLU 27 2.000 0.471 -8.559
171 HG2 GLU 27 2HG GLU 27 2.268 -2.076 -8.139
172 HG3 GLU 27 3HG GLU 27 1.262 -1.775 -6.724
173 HA PRO 28 HA PRO 28 4.834 0.109 -3.086
174 HB2 PRO 28 2HB PRO 28 3.330 2.039 -1.821
175 HB3 PRO 28 3HB PRO 28 4.907 2.345 -2.585
176 HG2 PRO 28 2HG PRO 28 2.172 2.857 -3.641
177 HG3 PRO 28 3HG PRO 28 3.630 3.860 -3.757
178 HD2 PRO 28 2HD PRO 28 2.776 2.366 -5.820
179 HD3 PRO 28 3HD PRO 28 4.503 2.625 -5.500
180 H ILE 29 H ILE 29 3.948 -0.717 -1.145
181 HA ILE 29 HA ILE 29 1.127 -1.574 -1.306
182 HB ILE 29 HB ILE 29 3.307 -3.245 -0.041
183 HG12 ILE 29 2HG1 ILE 29 3.917 -3.107 -2.384
184 HG13 ILE 29 3HG1 ILE 29 3.274 -4.705 -2.052
185 HG21 ILE 29 1HG2 ILE 29 1.694 -5.090 -0.252
186 HG22 ILE 29 2HG2 ILE 29 0.513 -3.965 -0.919
187 HG23 ILE 29 3HG2 ILE 29 1.080 -3.767 0.740
188 HD11 ILE 29 3HD1 ILE 29 2.556 -3.793 -4.229
189 HD12 ILE 29 1HD1 ILE 29 1.738 -2.474 -3.388
190 HD13 ILE 29 2HD1 ILE 29 1.195 -4.137 -3.159
191 H CYS 30 H CYS 30 0.059 -1.871 0.718
192 HA CYS 30 HA CYS 30 0.984 -0.030 2.766
193 HB2 CYS 30 2HB CYS 30 -1.607 -1.314 2.034
194 HB3 CYS 30 3HB CYS 30 -1.384 -0.846 3.708
195 H GLY 31 H GLY 31 2.117 -0.714 4.467
196 HA2 GLY 31 2HA GLY 31 1.446 -3.203 5.808
197 HA3 GLY 31 3HA GLY 31 3.049 -3.138 5.106
198 H VAL 32 H VAL 32 2.052 -3.309 7.928
199 HA VAL 32 HA VAL 32 3.023 -0.827 9.105
200 HB VAL 32 HB VAL 32 2.547 -2.117 11.321
201 HG11 VAL 32 1HG1 VAL 32 0.126 -1.492 9.667
202 HG12 VAL 32 2HG1 VAL 32 1.215 -0.232 10.245
203 HG13 VAL 32 3HG1 VAL 32 0.369 -1.263 11.397
204 HG21 VAL 32 3HG2 VAL 32 0.864 -3.852 11.208
205 HG22 VAL 32 1HG2 VAL 32 2.278 -4.346 10.274
206 HG23 VAL 32 2HG2 VAL 32 0.836 -3.754 9.447
Start of MODEL 16
1 H1 PCA 1 HN PCA 1 -17.421 0.675 1.992
2 HA PCA 1 HA PCA 1 -15.545 2.180 2.882
3 HB2 PCA 1 1HB PCA 1 -13.927 -0.043 3.811
4 HB3 PCA 1 2HB PCA 1 -14.405 1.398 4.471
5 HG2 PCA 1 1HG PCA 1 -15.647 -1.140 5.136
6 HG3 PCA 1 2HG PCA 1 -15.957 0.416 5.609
7 H TRP 2 H TRP 2 -13.659 2.588 1.708
8 HA TRP 2 HA TRP 2 -12.812 0.650 -0.304
9 HB2 TRP 2 2HB TRP 2 -13.549 3.518 -0.949
10 HB3 TRP 2 3HB TRP 2 -12.774 2.396 -2.060
11 HD1 TRP 2 HD1 TRP 2 -16.139 3.094 -0.373
12 HE1 TRP 2 HE1 TRP 2 -17.983 1.834 -1.642
13 HE3 TRP 2 HE3 TRP 2 -13.217 0.371 -3.581
14 HZ2 TRP 2 HZ2 TRP 2 -18.183 -0.057 -3.725
15 HZ3 TRP 2 HZ3 TRP 2 -14.322 -1.139 -5.179
16 HH2 TRP 2 HH2 TRP 2 -16.752 -1.347 -5.247
17 H CYS 3 H CYS 3 -10.902 0.328 0.636
18 HA CYS 3 HA CYS 3 -8.868 2.356 0.345
19 HB2 CYS 3 2HB CYS 3 -8.051 2.223 2.665
20 HB3 CYS 3 3HB CYS 3 -9.688 2.863 2.608
21 H ALA 4 H ALA 4 -6.686 1.507 0.685
22 HA ALA 4 HA ALA 4 -6.466 -1.241 -0.220
23 HB1 ALA 4 3HB ALA 4 -4.105 -0.708 -0.580
24 HB2 ALA 4 1HB ALA 4 -4.326 0.847 0.228
25 HB3 ALA 4 2HB ALA 4 -5.144 0.523 -1.301
26 H GLU 5 H GLU 5 -6.181 -2.905 1.108
27 HA GLU 5 HA GLU 5 -5.517 -2.429 3.899
28 HB2 GLU 5 2HB GLU 5 -6.257 -4.732 4.283
29 HB3 GLU 5 3HB GLU 5 -7.463 -3.823 3.391
30 HG2 GLU 5 2HG GLU 5 -6.577 -4.902 1.300
31 HG3 GLU 5 3HG GLU 5 -5.606 -5.941 2.336
32 H GLU 6 H GLU 6 -4.451 -5.119 4.360
33 HA GLU 6 HA GLU 6 -1.673 -4.533 3.833
34 HB2 GLU 6 2HB GLU 6 -1.228 -6.565 5.237
35 HB3 GLU 6 3HB GLU 6 -2.145 -5.308 6.044
36 HG2 GLU 6 2HG GLU 6 -3.556 -7.613 4.757
37 HG3 GLU 6 3HG GLU 6 -2.822 -7.788 6.349
38 H GLY 7 H GLY 7 -0.726 -5.075 2.032
39 HA2 GLY 7 2HA GLY 7 0.211 -6.781 0.620
40 HA3 GLY 7 3HA GLY 7 -1.251 -7.725 0.854
41 H GLU 8 H GLU 8 -2.044 -4.513 0.382
42 HA GLU 8 HA GLU 8 -2.545 -4.950 -2.489
43 HB2 GLU 8 2HB GLU 8 -4.176 -3.530 -0.387
44 HB3 GLU 8 3HB GLU 8 -4.422 -3.233 -2.100
45 HG2 GLU 8 2HG GLU 8 -4.541 -6.004 -0.960
46 HG3 GLU 8 3HG GLU 8 -5.938 -4.931 -0.936
47 H SER 9 H SER 9 -2.589 -2.988 -3.825
48 HA SER 9 HA SER 9 -0.312 -1.320 -3.251
49 HB2 SER 9 2HB SER 9 -0.776 -0.369 -5.508
50 HB3 SER 9 3HB SER 9 -0.607 -2.122 -5.504
51 HG SER 9 HG SER 9 -3.078 -1.926 -5.199
52 H CYS 10 H CYS 10 -0.268 0.702 -2.540
53 HA CYS 10 HA CYS 10 -2.825 2.032 -1.992
54 HB2 CYS 10 2HB CYS 10 -1.618 3.338 -0.321
55 HB3 CYS 10 3HB CYS 10 -1.360 1.619 -0.056
56 H GLU 11 H GLU 11 -1.485 1.998 -4.611
57 HA GLU 11 HA GLU 11 -0.461 4.663 -5.046
58 HB2 GLU 11 2HB GLU 11 -0.191 3.977 -7.376
59 HB3 GLU 11 3HB GLU 11 0.476 2.772 -6.287
60 HG2 GLU 11 2HG GLU 11 -0.618 1.331 -7.634
61 HG3 GLU 11 3HG GLU 11 -2.010 1.769 -6.641
62 H VAL 12 H VAL 12 -3.523 3.315 -4.837
63 HA VAL 12 HA VAL 12 -4.703 5.536 -6.361
64 HB VAL 12 HB VAL 12 -5.070 3.386 -7.513
65 HG11 VAL 12 1HG1 VAL 12 -5.226 1.600 -6.139
66 HG12 VAL 12 2HG1 VAL 12 -6.953 1.934 -6.291
67 HG13 VAL 12 3HG1 VAL 12 -6.065 2.501 -4.877
68 HG21 VAL 12 3HG2 VAL 12 -7.549 4.668 -6.393
69 HG22 VAL 12 1HG2 VAL 12 -7.539 3.530 -7.742
70 HG23 VAL 12 2HG2 VAL 12 -6.702 5.074 -7.886
71 H TYR 13 H TYR 13 -5.010 3.372 -3.576
72 HA TYR 13 HA TYR 13 -6.555 5.445 -2.190
73 HB2 TYR 13 2HB TYR 13 -7.104 2.527 -2.466
74 HB3 TYR 13 3HB TYR 13 -7.525 3.326 -0.969
75 HD1 TYR 13 HD1 TYR 13 -8.156 3.299 -4.614
76 HD2 TYR 13 HD2 TYR 13 -9.445 4.706 -0.810
77 HE1 TYR 13 HE1 TYR 13 -10.263 4.061 -5.620
78 HE2 TYR 13 HE2 TYR 13 -11.558 5.470 -1.805
79 HH TYR 13 HH TYR 13 -12.426 6.124 -4.013
80 HA PRO 14 HA PRO 14 -3.562 5.033 1.100
81 HB2 PRO 14 2HB PRO 14 -5.081 5.687 3.270
82 HB3 PRO 14 3HB PRO 14 -4.574 6.885 2.064
83 HG2 PRO 14 2HG PRO 14 -7.198 5.489 2.343
84 HG3 PRO 14 3HG PRO 14 -6.861 7.194 1.985
85 HD2 PRO 14 2HD PRO 14 -7.518 5.409 0.063
86 HD3 PRO 14 3HD PRO 14 -6.439 6.782 -0.235
87 H CYS 15 H CYS 15 -3.541 4.077 3.554
88 HA CYS 15 HA CYS 15 -4.141 1.268 3.265
89 HB2 CYS 15 2HB CYS 15 -2.970 2.699 5.656
90 HB3 CYS 15 3HB CYS 15 -2.953 0.975 5.357
91 H CYS 16 H CYS 16 -5.026 0.171 5.451
92 HA CYS 16 HA CYS 16 -7.537 1.580 6.070
93 HB2 CYS 16 2HB CYS 16 -7.122 -1.402 5.899
94 HB3 CYS 16 3HB CYS 16 -8.652 -0.574 6.168
95 H ASP 17 H ASP 17 -5.422 -0.985 7.417
96 HA ASP 17 HA ASP 17 -6.441 -0.494 10.090
97 HB2 ASP 17 2HB ASP 17 -4.475 -2.486 8.964
98 HB3 ASP 17 3HB ASP 17 -4.810 -2.358 10.688
99 H GLY 18 H GLY 18 -4.515 1.375 8.473
100 HA2 GLY 18 2HA GLY 18 -3.150 3.085 9.325
101 HA3 GLY 18 3HA GLY 18 -2.941 2.154 10.802
102 H LEU 19 H LEU 19 -2.434 0.998 7.525
103 HA LEU 19 HA LEU 19 0.230 0.091 8.151
104 HB2 LEU 19 2HB LEU 19 -1.262 -0.019 5.539
105 HB3 LEU 19 3HB LEU 19 0.158 -0.947 5.952
106 HG LEU 19 HG LEU 19 -2.196 -1.323 7.716
107 HD11 LEU 19 1HD1 LEU 19 -3.327 -2.814 6.198
108 HD12 LEU 19 2HD1 LEU 19 -2.135 -2.500 4.940
109 HD13 LEU 19 3HD1 LEU 19 -3.221 -1.213 5.467
110 HD21 LEU 19 3HD2 LEU 19 -0.696 -3.525 6.424
111 HD22 LEU 19 1HD2 LEU 19 -1.291 -3.376 8.076
112 HD23 LEU 19 2HD2 LEU 19 0.169 -2.519 7.582
113 H ILE 20 H ILE 20 1.966 0.418 6.436
114 HA ILE 20 HA ILE 20 2.060 3.265 5.672
115 HB ILE 20 HB ILE 20 4.336 1.436 6.489
116 HG12 ILE 20 2HG1 ILE 20 4.459 3.577 8.159
117 HG13 ILE 20 3HG1 ILE 20 2.721 3.483 7.889
118 HG21 ILE 20 1HG2 ILE 20 5.674 3.631 6.411
119 HG22 ILE 20 2HG2 ILE 20 4.373 4.230 5.374
120 HG23 ILE 20 3HG2 ILE 20 5.319 2.825 4.880
121 HD11 ILE 20 3HD1 ILE 20 4.412 1.176 8.815
122 HD12 ILE 20 1HD1 ILE 20 2.653 1.246 8.715
123 HD13 ILE 20 2HD1 ILE 20 3.510 2.250 9.885
124 H CYS 21 H CYS 21 2.824 3.826 3.677
125 HA CYS 21 HA CYS 21 2.660 1.829 1.600
126 HB2 CYS 21 2HB CYS 21 3.020 4.815 1.654
127 HB3 CYS 21 3HB CYS 21 3.220 3.909 0.154
128 H TYR 22 H TYR 22 4.347 0.507 1.491
129 HA TYR 22 HA TYR 22 7.050 1.369 1.926
130 HB2 TYR 22 2HB TYR 22 5.715 -1.233 1.301
131 HB3 TYR 22 3HB TYR 22 7.457 -1.082 1.096
132 HD1 TYR 22 HD1 TYR 22 8.913 -0.744 3.008
133 HD2 TYR 22 HD2 TYR 22 4.716 -1.207 3.510
134 HE1 TYR 22 HE1 TYR 22 9.254 -1.148 5.409
135 HE2 TYR 22 HE2 TYR 22 5.043 -1.616 5.914
136 HH TYR 22 HH TYR 22 7.974 -0.991 7.504
137 HA PRO 23 HA PRO 23 7.975 2.405 -2.312
138 HB2 PRO 23 2HB PRO 23 10.702 2.225 -2.218
139 HB3 PRO 23 3HB PRO 23 9.801 3.566 -1.485
140 HG2 PRO 23 2HG PRO 23 10.972 1.152 -0.189
141 HG3 PRO 23 3HG PRO 23 10.953 2.836 0.369
142 HD2 PRO 23 2HD PRO 23 9.230 0.956 1.317
143 HD3 PRO 23 3HD PRO 23 8.822 2.672 1.205
144 H THR 24 H THR 24 6.899 0.125 -2.535
145 HA THR 24 HA THR 24 8.776 -1.926 -3.446
146 HB THR 24 HB THR 24 6.875 -3.442 -3.506
147 HG1 THR 24 HG1 THR 24 5.052 -2.453 -4.008
148 HG21 THR 24 3HG2 THR 24 6.798 -1.762 -0.991
149 HG22 THR 24 1HG2 THR 24 7.944 -3.065 -1.322
150 HG23 THR 24 2HG2 THR 24 6.225 -3.425 -1.149
151 H PHE 25 H PHE 25 8.584 -2.912 -5.514
152 HA PHE 25 HA PHE 25 7.478 -1.093 -7.531
153 HB2 PHE 25 2HB PHE 25 9.953 -2.654 -7.371
154 HB3 PHE 25 3HB PHE 25 9.135 -2.779 -8.921
155 HD1 PHE 25 HD2 PHE 25 10.502 -0.333 -6.478
156 HD2 PHE 25 HD1 PHE 25 9.289 -1.067 -10.495
157 HE1 PHE 25 HE2 PHE 25 11.449 1.834 -7.160
158 HE2 PHE 25 HE1 PHE 25 10.228 1.097 -11.179
159 HZ PHE 25 HZ PHE 25 11.312 2.552 -9.513
160 HA PRO 26 HA PRO 26 7.111 -1.110 -9.741
161 HB2 PRO 26 2HB PRO 26 4.442 -1.083 -10.843
162 HB3 PRO 26 3HB PRO 26 5.975 -1.365 -11.683
163 HG2 PRO 26 2HG PRO 26 4.061 -3.273 -11.336
164 HG3 PRO 26 3HG PRO 26 5.786 -3.618 -11.556
165 HD2 PRO 26 2HD PRO 26 4.170 -3.596 -9.046
166 HD3 PRO 26 3HD PRO 26 5.482 -4.688 -9.537
167 H GLU 27 H GLU 27 4.045 -1.722 -8.051
168 HA GLU 27 HA GLU 27 3.941 1.122 -7.327
169 HB2 GLU 27 2HB GLU 27 1.517 0.763 -6.848
170 HB3 GLU 27 3HB GLU 27 1.955 0.556 -8.532
171 HG2 GLU 27 2HG GLU 27 1.759 -1.822 -6.730
172 HG3 GLU 27 3HG GLU 27 0.304 -1.100 -7.411
173 HA PRO 28 HA PRO 28 4.845 0.130 -3.077
174 HB2 PRO 28 2HB PRO 28 3.381 2.070 -1.778
175 HB3 PRO 28 3HB PRO 28 4.955 2.360 -2.555
176 HG2 PRO 28 2HG PRO 28 2.218 2.923 -3.576
177 HG3 PRO 28 3HG PRO 28 3.690 3.905 -3.698
178 HD2 PRO 28 2HD PRO 28 2.794 2.446 -5.768
179 HD3 PRO 28 3HD PRO 28 4.528 2.673 -5.462
180 H ILE 29 H ILE 29 3.971 -0.721 -1.148
181 HA ILE 29 HA ILE 29 1.138 -1.540 -1.297
182 HB ILE 29 HB ILE 29 3.299 -3.239 -0.039
183 HG12 ILE 29 2HG1 ILE 29 3.930 -3.098 -2.375
184 HG13 ILE 29 3HG1 ILE 29 3.258 -4.688 -2.061
185 HG21 ILE 29 1HG2 ILE 29 1.063 -3.747 0.723
186 HG22 ILE 29 2HG2 ILE 29 1.665 -5.067 -0.280
187 HG23 ILE 29 3HG2 ILE 29 0.501 -3.917 -0.940
188 HD11 ILE 29 3HD1 ILE 29 1.756 -2.426 -3.383
189 HD12 ILE 29 1HD1 ILE 29 1.208 -4.092 -3.190
190 HD13 ILE 29 2HD1 ILE 29 2.580 -3.730 -4.239
191 H CYS 30 H CYS 30 0.065 -1.828 0.720
192 HA CYS 30 HA CYS 30 1.005 -0.013 2.785
193 HB2 CYS 30 2HB CYS 30 -1.594 -1.285 2.054
194 HB3 CYS 30 3HB CYS 30 -1.360 -0.814 3.725
195 H GLY 31 H GLY 31 2.137 -0.726 4.486
196 HA2 GLY 31 2HA GLY 31 1.447 -3.234 5.783
197 HA3 GLY 31 3HA GLY 31 3.054 -3.163 5.089
198 H VAL 32 H VAL 32 2.087 -3.417 7.891
199 HA VAL 32 HA VAL 32 3.093 -0.968 9.123
200 HB VAL 32 HB VAL 32 2.520 -2.259 11.315
201 HG11 VAL 32 1HG1 VAL 32 0.135 -1.539 9.652
202 HG12 VAL 32 2HG1 VAL 32 1.279 -0.313 10.197
203 HG13 VAL 32 3HG1 VAL 32 0.404 -1.289 11.375
204 HG21 VAL 32 3HG2 VAL 32 2.177 -4.463 10.234
205 HG22 VAL 32 1HG2 VAL 32 0.772 -3.803 9.396
206 HG23 VAL 32 2HG2 VAL 32 0.773 -3.921 11.155
Start of MODEL 17
1 H1 PCA 1 HN PCA 1 -17.429 0.736 1.952
2 HA PCA 1 HA PCA 1 -15.545 2.232 2.840
3 HB2 PCA 1 1HB PCA 1 -13.943 0.002 3.780
4 HB3 PCA 1 2HB PCA 1 -14.416 1.449 4.435
5 HG2 PCA 1 1HG PCA 1 -15.672 -1.082 5.103
6 HG3 PCA 1 2HG PCA 1 -15.974 0.478 5.572
7 H TRP 2 H TRP 2 -13.655 2.625 1.668
8 HA TRP 2 HA TRP 2 -12.816 0.675 -0.335
9 HB2 TRP 2 2HB TRP 2 -13.536 3.544 -0.993
10 HB3 TRP 2 3HB TRP 2 -12.766 2.414 -2.099
11 HD1 TRP 2 HD1 TRP 2 -16.129 3.133 -0.416
12 HE1 TRP 2 HE1 TRP 2 -17.977 1.880 -1.687
13 HE3 TRP 2 HE3 TRP 2 -13.217 0.391 -3.617
14 HZ2 TRP 2 HZ2 TRP 2 -18.185 -0.012 -3.768
15 HZ3 TRP 2 HZ3 TRP 2 -14.326 -1.114 -5.216
16 HH2 TRP 2 HH2 TRP 2 -16.759 -1.312 -5.288
17 H CYS 3 H CYS 3 -10.912 0.344 0.613
18 HA CYS 3 HA CYS 3 -8.862 2.354 0.311
19 HB2 CYS 3 2HB CYS 3 -8.054 2.247 2.634
20 HB3 CYS 3 3HB CYS 3 -9.690 2.890 2.567
21 H ALA 4 H ALA 4 -6.685 1.488 0.710
22 HA ALA 4 HA ALA 4 -6.474 -1.255 -0.208
23 HB1 ALA 4 3HB ALA 4 -4.312 0.793 0.302
24 HB2 ALA 4 1HB ALA 4 -5.120 0.523 -1.242
25 HB3 ALA 4 2HB ALA 4 -4.113 -0.745 -0.541
26 H GLU 5 H GLU 5 -6.191 -2.939 1.098
27 HA GLU 5 HA GLU 5 -5.607 -2.503 3.910
28 HB2 GLU 5 2HB GLU 5 -6.311 -4.826 4.237
29 HB3 GLU 5 3HB GLU 5 -7.510 -3.927 3.325
30 HG2 GLU 5 2HG GLU 5 -6.558 -4.955 1.247
31 HG3 GLU 5 3HG GLU 5 -5.571 -5.980 2.282
32 H GLU 6 H GLU 6 -4.494 -5.189 4.346
33 HA GLU 6 HA GLU 6 -1.708 -4.524 3.902
34 HB2 GLU 6 2HB GLU 6 -2.393 -7.145 5.124
35 HB3 GLU 6 3HB GLU 6 -1.172 -5.972 5.591
36 HG2 GLU 6 2HG GLU 6 -2.787 -4.644 6.735
37 HG3 GLU 6 3HG GLU 6 -4.115 -5.621 6.113
38 H GLY 7 H GLY 7 -0.686 -5.071 2.142
39 HA2 GLY 7 2HA GLY 7 0.277 -6.740 0.720
40 HA3 GLY 7 3HA GLY 7 -1.173 -7.709 0.929
41 H GLU 8 H GLU 8 -2.028 -4.515 0.459
42 HA GLU 8 HA GLU 8 -2.485 -4.955 -2.416
43 HB2 GLU 8 2HB GLU 8 -4.148 -3.572 -0.322
44 HB3 GLU 8 3HB GLU 8 -4.367 -3.221 -2.029
45 HG2 GLU 8 2HG GLU 8 -4.507 -6.022 -0.963
46 HG3 GLU 8 3HG GLU 8 -5.904 -4.951 -0.960
47 H SER 9 H SER 9 -2.542 -2.997 -3.757
48 HA SER 9 HA SER 9 -0.270 -1.320 -3.194
49 HB2 SER 9 2HB SER 9 -0.718 -0.400 -5.461
50 HB3 SER 9 3HB SER 9 -0.584 -2.157 -5.439
51 HG SER 9 HG SER 9 -3.124 -1.568 -5.035
52 H CYS 10 H CYS 10 -0.223 0.714 -2.516
53 HA CYS 10 HA CYS 10 -2.783 2.050 -1.981
54 HB2 CYS 10 2HB CYS 10 -1.590 3.364 -0.312
55 HB3 CYS 10 3HB CYS 10 -1.314 1.649 -0.038
56 H GLU 11 H GLU 11 -1.498 1.990 -4.600
57 HA GLU 11 HA GLU 11 -0.444 4.645 -5.069
58 HB2 GLU 11 2HB GLU 11 -0.192 3.931 -7.392
59 HB3 GLU 11 3HB GLU 11 0.480 2.737 -6.295
60 HG2 GLU 11 2HG GLU 11 -0.625 1.286 -7.623
61 HG3 GLU 11 3HG GLU 11 -2.007 1.733 -6.622
62 H VAL 12 H VAL 12 -3.517 3.266 -4.894
63 HA VAL 12 HA VAL 12 -4.691 5.492 -6.412
64 HB VAL 12 HB VAL 12 -5.061 3.339 -7.554
65 HG11 VAL 12 1HG1 VAL 12 -5.212 1.560 -6.167
66 HG12 VAL 12 2HG1 VAL 12 -6.938 1.887 -6.329
67 HG13 VAL 12 3HG1 VAL 12 -6.059 2.465 -4.913
68 HG21 VAL 12 3HG2 VAL 12 -6.695 5.027 -7.930
69 HG22 VAL 12 1HG2 VAL 12 -7.541 4.621 -6.437
70 HG23 VAL 12 2HG2 VAL 12 -7.529 3.481 -7.782
71 H TYR 13 H TYR 13 -5.008 3.340 -3.623
72 HA TYR 13 HA TYR 13 -6.549 5.420 -2.244
73 HB2 TYR 13 2HB TYR 13 -7.099 2.502 -2.512
74 HB3 TYR 13 3HB TYR 13 -7.521 3.305 -1.018
75 HD1 TYR 13 HD1 TYR 13 -8.154 3.253 -4.660
76 HD2 TYR 13 HD2 TYR 13 -9.434 4.703 -0.870
77 HE1 TYR 13 HE1 TYR 13 -10.258 4.017 -5.672
78 HE2 TYR 13 HE2 TYR 13 -11.543 5.468 -1.871
79 HH TYR 13 HH TYR 13 -12.558 4.533 -4.969
80 HA PRO 14 HA PRO 14 -3.554 5.019 1.042
81 HB2 PRO 14 2HB PRO 14 -5.065 5.698 3.209
82 HB3 PRO 14 3HB PRO 14 -4.559 6.883 1.990
83 HG2 PRO 14 2HG PRO 14 -7.186 5.497 2.289
84 HG3 PRO 14 3HG PRO 14 -6.845 7.199 1.912
85 HD2 PRO 14 2HD PRO 14 -7.512 5.390 0.012
86 HD3 PRO 14 3HD PRO 14 -6.436 6.760 -0.304
87 H CYS 15 H CYS 15 -3.541 4.087 3.506
88 HA CYS 15 HA CYS 15 -4.141 1.276 3.246
89 HB2 CYS 15 2HB CYS 15 -2.961 2.756 5.606
90 HB3 CYS 15 3HB CYS 15 -2.969 1.024 5.368
91 H CYS 16 H CYS 16 -5.028 0.218 5.462
92 HA CYS 16 HA CYS 16 -7.538 1.642 6.056
93 HB2 CYS 16 2HB CYS 16 -7.156 -1.347 5.915
94 HB3 CYS 16 3HB CYS 16 -8.675 -0.496 6.166
95 H ASP 17 H ASP 17 -5.447 -0.931 7.418
96 HA ASP 17 HA ASP 17 -6.454 -0.414 10.091
97 HB2 ASP 17 2HB ASP 17 -4.494 -2.418 8.977
98 HB3 ASP 17 3HB ASP 17 -4.826 -2.276 10.700
99 H GLY 18 H GLY 18 -4.507 1.417 8.437
100 HA2 GLY 18 2HA GLY 18 -3.142 3.138 9.271
101 HA3 GLY 18 3HA GLY 18 -2.933 2.223 10.758
102 H LEU 19 H LEU 19 -2.442 0.990 7.511
103 HA LEU 19 HA LEU 19 0.210 0.071 8.132
104 HB2 LEU 19 2HB LEU 19 -1.254 0.013 5.505
105 HB3 LEU 19 3HB LEU 19 0.143 -0.946 5.927
106 HG LEU 19 HG LEU 19 -2.231 -1.300 7.666
107 HD11 LEU 19 1HD1 LEU 19 -2.208 -2.551 4.933
108 HD12 LEU 19 2HD1 LEU 19 -3.150 -1.114 5.319
109 HD13 LEU 19 3HD1 LEU 19 -3.474 -2.626 6.156
110 HD21 LEU 19 3HD2 LEU 19 0.114 -2.557 7.498
111 HD22 LEU 19 1HD2 LEU 19 -0.801 -3.538 6.352
112 HD23 LEU 19 2HD2 LEU 19 -1.363 -3.366 8.016
113 H ILE 20 H ILE 20 2.001 0.402 6.555
114 HA ILE 20 HA ILE 20 2.171 3.237 5.772
115 HB ILE 20 HB ILE 20 4.401 1.313 6.503
116 HG12 ILE 20 2HG1 ILE 20 4.052 3.826 8.015
117 HG13 ILE 20 3HG1 ILE 20 2.748 2.660 8.212
118 HG21 ILE 20 1HG2 ILE 20 4.474 4.119 5.431
119 HG22 ILE 20 2HG2 ILE 20 5.409 2.709 4.929
120 HG23 ILE 20 3HG2 ILE 20 5.774 3.510 6.459
121 HD11 ILE 20 3HD1 ILE 20 4.427 2.410 9.945
122 HD12 ILE 20 1HD1 ILE 20 5.669 2.143 8.721
123 HD13 ILE 20 2HD1 ILE 20 4.364 0.974 8.920
124 H CYS 21 H CYS 21 2.907 3.792 3.760
125 HA CYS 21 HA CYS 21 2.671 1.801 1.678
126 HB2 CYS 21 2HB CYS 21 3.047 4.782 1.746
127 HB3 CYS 21 3HB CYS 21 3.251 3.894 0.238
128 H TYR 22 H TYR 22 4.340 0.461 1.512
129 HA TYR 22 HA TYR 22 7.058 1.282 1.933
130 HB2 TYR 22 2HB TYR 22 5.683 -1.291 1.274
131 HB3 TYR 22 3HB TYR 22 7.426 -1.158 1.058
132 HD1 TYR 22 HD1 TYR 22 8.901 -0.876 2.964
133 HD2 TYR 22 HD2 TYR 22 4.701 -1.288 3.490
134 HE1 TYR 22 HE1 TYR 22 9.253 -1.326 5.356
135 HE2 TYR 22 HE2 TYR 22 5.039 -1.741 5.885
136 HH TYR 22 HH TYR 22 7.992 -1.187 7.462
137 HA PRO 23 HA PRO 23 7.955 2.379 -2.295
138 HB2 PRO 23 2HB PRO 23 10.681 2.205 -2.220
139 HB3 PRO 23 3HB PRO 23 9.784 3.530 -1.455
140 HG2 PRO 23 2HG PRO 23 10.968 1.093 -0.214
141 HG3 PRO 23 3HG PRO 23 10.950 2.768 0.378
142 HD2 PRO 23 2HD PRO 23 9.235 0.859 1.294
143 HD3 PRO 23 3HD PRO 23 8.829 2.580 1.232
144 H THR 24 H THR 24 6.878 0.118 -2.558
145 HA THR 24 HA THR 24 8.741 -1.934 -3.489
146 HB THR 24 HB THR 24 6.837 -3.440 -3.566
147 HG1 THR 24 HG1 THR 24 5.153 -2.151 -4.218
148 HG21 THR 24 3HG2 THR 24 6.192 -3.464 -1.219
149 HG22 THR 24 1HG2 THR 24 6.722 -1.789 -1.037
150 HG23 THR 24 2HG2 THR 24 7.903 -3.059 -1.370
151 H PHE 25 H PHE 25 8.560 -2.883 -5.571
152 HA PHE 25 HA PHE 25 7.477 -1.026 -7.565
153 HB2 PHE 25 2HB PHE 25 9.925 -2.637 -7.421
154 HB3 PHE 25 3HB PHE 25 9.110 -2.713 -8.977
155 HD1 PHE 25 HD2 PHE 25 10.511 -0.344 -6.478
156 HD2 PHE 25 HD1 PHE 25 9.307 -0.974 -10.515
157 HE1 PHE 25 HE2 PHE 25 11.503 1.818 -7.112
158 HE2 PHE 25 HE1 PHE 25 10.291 1.186 -11.150
159 HZ PHE 25 HZ PHE 25 11.392 2.586 -9.448
160 HA PRO 26 HA PRO 26 7.123 -0.998 -9.763
161 HB2 PRO 26 2HB PRO 26 4.485 -0.918 -10.920
162 HB3 PRO 26 3HB PRO 26 6.026 -1.236 -11.730
163 HG2 PRO 26 2HG PRO 26 4.050 -3.095 -11.422
164 HG3 PRO 26 3HG PRO 26 5.769 -3.484 -11.625
165 HD2 PRO 26 2HD PRO 26 4.129 -3.434 -9.131
166 HD3 PRO 26 3HD PRO 26 5.415 -4.559 -9.618
167 H GLU 27 H GLU 27 4.097 -1.643 -8.060
168 HA GLU 27 HA GLU 27 3.939 1.199 -7.323
169 HB2 GLU 27 2HB GLU 27 1.490 0.690 -6.822
170 HB3 GLU 27 3HB GLU 27 1.961 0.738 -8.511
171 HG2 GLU 27 2HG GLU 27 2.189 -1.833 -8.272
172 HG3 GLU 27 3HG GLU 27 1.203 -1.617 -6.828
173 HA PRO 28 HA PRO 28 4.821 0.130 -3.087
174 HB2 PRO 28 2HB PRO 28 3.357 2.052 -1.766
175 HB3 PRO 28 3HB PRO 28 4.932 2.351 -2.531
176 HG2 PRO 28 2HG PRO 28 2.201 2.931 -3.558
177 HG3 PRO 28 3HG PRO 28 3.673 3.915 -3.655
178 HD2 PRO 28 2HD PRO 28 2.790 2.490 -5.753
179 HD3 PRO 28 3HD PRO 28 4.523 2.707 -5.431
180 H ILE 29 H ILE 29 3.943 -0.724 -1.160
181 HA ILE 29 HA ILE 29 1.118 -1.569 -1.319
182 HB ILE 29 HB ILE 29 3.304 -3.243 -0.070
183 HG12 ILE 29 2HG1 ILE 29 3.911 -3.123 -2.405
184 HG13 ILE 29 3HG1 ILE 29 3.229 -4.708 -2.088
185 HG21 ILE 29 1HG2 ILE 29 1.696 -5.090 -0.268
186 HG22 ILE 29 2HG2 ILE 29 0.504 -3.966 -0.923
187 HG23 ILE 29 3HG2 ILE 29 1.087 -3.770 0.730
188 HD11 ILE 29 3HD1 ILE 29 1.154 -4.060 -3.175
189 HD12 ILE 29 1HD1 ILE 29 2.525 -3.785 -4.252
190 HD13 ILE 29 2HD1 ILE 29 1.769 -2.425 -3.420
191 H CYS 30 H CYS 30 0.036 -1.854 0.694
192 HA CYS 30 HA CYS 30 0.967 -0.043 2.770
193 HB2 CYS 30 2HB CYS 30 -1.632 -1.306 2.026
194 HB3 CYS 30 3HB CYS 30 -1.404 -0.841 3.699
195 H GLY 31 H GLY 31 2.098 -0.763 4.459
196 HA2 GLY 31 2HA GLY 31 1.402 -3.275 5.752
197 HA3 GLY 31 3HA GLY 31 3.014 -3.195 5.070
198 H VAL 32 H VAL 32 1.928 -3.393 7.877
199 HA VAL 32 HA VAL 32 2.907 -0.948 9.116
200 HB VAL 32 HB VAL 32 2.363 -2.270 11.297
201 HG11 VAL 32 1HG1 VAL 32 1.075 -0.357 10.241
202 HG12 VAL 32 2HG1 VAL 32 0.176 -1.419 11.319
203 HG13 VAL 32 3HG1 VAL 32 0.002 -1.589 9.576
204 HG21 VAL 32 3HG2 VAL 32 2.105 -4.482 10.225
205 HG22 VAL 32 1HG2 VAL 32 0.705 -3.870 9.343
206 HG23 VAL 32 2HG2 VAL 32 0.656 -3.985 11.101
Start of MODEL 18
1 H1 PCA 1 HN PCA 1 -17.411 0.603 1.886
2 HA PCA 1 HA PCA 1 -15.544 2.084 2.832
3 HB2 PCA 1 1HB PCA 1 -13.935 -0.161 3.720
4 HB3 PCA 1 2HB PCA 1 -14.421 1.263 4.412
5 HG2 PCA 1 1HG PCA 1 -15.665 -1.293 4.998
6 HG3 PCA 1 2HG PCA 1 -15.982 0.251 5.509
7 H TRP 2 H TRP 2 -13.653 2.526 1.680
8 HA TRP 2 HA TRP 2 -12.783 0.635 -0.366
9 HB2 TRP 2 2HB TRP 2 -13.523 3.515 -0.952
10 HB3 TRP 2 3HB TRP 2 -12.733 2.422 -2.082
11 HD1 TRP 2 HD1 TRP 2 -16.117 3.058 -0.403
12 HE1 TRP 2 HE1 TRP 2 -17.943 1.826 -1.725
13 HE3 TRP 2 HE3 TRP 2 -13.154 0.448 -3.667
14 HZ2 TRP 2 HZ2 TRP 2 -18.115 -0.003 -3.864
15 HZ3 TRP 2 HZ3 TRP 2 -14.236 -1.019 -5.319
16 HH2 TRP 2 HH2 TRP 2 -16.665 -1.239 -5.413
17 H CYS 3 H CYS 3 -10.882 0.295 0.590
18 HA CYS 3 HA CYS 3 -8.849 2.331 0.350
19 HB2 CYS 3 2HB CYS 3 -8.052 2.173 2.675
20 HB3 CYS 3 3HB CYS 3 -9.691 2.808 2.612
21 H ALA 4 H ALA 4 -6.672 1.482 0.706
22 HA ALA 4 HA ALA 4 -6.441 -1.260 -0.225
23 HB1 ALA 4 3HB ALA 4 -4.330 0.859 0.211
24 HB2 ALA 4 1HB ALA 4 -5.129 0.492 -1.315
25 HB3 ALA 4 2HB ALA 4 -4.071 -0.705 -0.565
26 H GLU 5 H GLU 5 -6.185 -2.916 1.113
27 HA GLU 5 HA GLU 5 -5.496 -2.452 3.897
28 HB2 GLU 5 2HB GLU 5 -6.236 -4.754 4.278
29 HB3 GLU 5 3HB GLU 5 -7.441 -3.848 3.382
30 HG2 GLU 5 2HG GLU 5 -6.545 -4.928 1.295
31 HG3 GLU 5 3HG GLU 5 -5.577 -5.963 2.338
32 H GLU 6 H GLU 6 -4.419 -5.133 4.355
33 HA GLU 6 HA GLU 6 -1.645 -4.541 3.812
34 HB2 GLU 6 2HB GLU 6 -1.187 -6.574 5.210
35 HB3 GLU 6 3HB GLU 6 -2.097 -5.317 6.025
36 HG2 GLU 6 2HG GLU 6 -3.520 -7.622 4.748
37 HG3 GLU 6 3HG GLU 6 -2.775 -7.797 6.335
38 H GLY 7 H GLY 7 -0.704 -5.083 2.007
39 HA2 GLY 7 2HA GLY 7 0.226 -6.798 0.596
40 HA3 GLY 7 3HA GLY 7 -1.248 -7.728 0.821
41 H GLU 8 H GLU 8 -2.055 -4.531 0.379
42 HA GLU 8 HA GLU 8 -2.537 -4.933 -2.499
43 HB2 GLU 8 2HB GLU 8 -4.164 -3.521 -0.388
44 HB3 GLU 8 3HB GLU 8 -4.407 -3.210 -2.100
45 HG2 GLU 8 2HG GLU 8 -4.538 -5.988 -0.981
46 HG3 GLU 8 3HG GLU 8 -5.932 -4.911 -0.949
47 H SER 9 H SER 9 -2.560 -2.968 -3.824
48 HA SER 9 HA SER 9 -0.283 -1.308 -3.229
49 HB2 SER 9 2HB SER 9 -0.731 -0.347 -5.487
50 HB3 SER 9 3HB SER 9 -0.562 -2.101 -5.487
51 HG SER 9 HG SER 9 -2.629 -2.323 -5.967
52 H CYS 10 H CYS 10 -0.233 0.715 -2.519
53 HA CYS 10 HA CYS 10 -2.791 2.049 -1.977
54 HB2 CYS 10 2HB CYS 10 -1.599 3.349 -0.297
55 HB3 CYS 10 3HB CYS 10 -1.318 1.631 -0.041
56 H GLU 11 H GLU 11 -1.504 2.014 -4.598
57 HA GLU 11 HA GLU 11 -0.455 4.675 -5.042
58 HB2 GLU 11 2HB GLU 11 -0.195 3.980 -7.369
59 HB3 GLU 11 3HB GLU 11 0.473 2.777 -6.280
60 HG2 GLU 11 2HG GLU 11 -0.627 1.337 -7.624
61 HG3 GLU 11 3HG GLU 11 -2.013 1.775 -6.624
62 H VAL 12 H VAL 12 -3.524 3.310 -4.851
63 HA VAL 12 HA VAL 12 -4.701 5.540 -6.363
64 HB VAL 12 HB VAL 12 -5.068 3.390 -7.520
65 HG11 VAL 12 1HG1 VAL 12 -5.228 1.601 -6.149
66 HG12 VAL 12 2HG1 VAL 12 -6.954 1.939 -6.299
67 HG13 VAL 12 3HG1 VAL 12 -6.062 2.502 -4.884
68 HG21 VAL 12 3HG2 VAL 12 -7.547 4.672 -6.401
69 HG22 VAL 12 1HG2 VAL 12 -7.536 3.537 -7.749
70 HG23 VAL 12 2HG2 VAL 12 -6.699 5.080 -7.891
71 H TYR 13 H TYR 13 -5.013 3.371 -3.585
72 HA TYR 13 HA TYR 13 -6.559 5.440 -2.196
73 HB2 TYR 13 2HB TYR 13 -7.104 2.522 -2.479
74 HB3 TYR 13 3HB TYR 13 -7.527 3.317 -0.980
75 HD1 TYR 13 HD2 TYR 13 -8.157 3.299 -4.626
76 HD2 TYR 13 HD1 TYR 13 -9.451 4.693 -0.820
77 HE1 TYR 13 HE2 TYR 13 -10.263 4.063 -5.630
78 HE2 TYR 13 HE1 TYR 13 -11.563 5.454 -1.812
79 HH TYR 13 HH TYR 13 -12.432 6.115 -4.020
80 HA PRO 14 HA PRO 14 -3.567 5.028 1.096
81 HB2 PRO 14 2HB PRO 14 -5.097 5.660 3.268
82 HB3 PRO 14 3HB PRO 14 -4.583 6.869 2.076
83 HG2 PRO 14 2HG PRO 14 -7.209 5.476 2.333
84 HG3 PRO 14 3HG PRO 14 -6.867 7.183 1.980
85 HD2 PRO 14 2HD PRO 14 -7.522 5.403 0.052
86 HD3 PRO 14 3HD PRO 14 -6.440 6.775 -0.239
87 H CYS 15 H CYS 15 -3.556 4.063 3.551
88 HA CYS 15 HA CYS 15 -4.142 1.254 3.244
89 HB2 CYS 15 2HB CYS 15 -2.984 2.682 5.644
90 HB3 CYS 15 3HB CYS 15 -2.968 0.957 5.348
91 H CYS 16 H CYS 16 -5.034 0.142 5.412
92 HA CYS 16 HA CYS 16 -7.563 1.524 6.007
93 HB2 CYS 16 2HB CYS 16 -7.088 -1.452 5.863
94 HB3 CYS 16 3HB CYS 16 -8.635 -0.658 6.146
95 H ASP 17 H ASP 17 -5.393 -0.959 7.407
96 HA ASP 17 HA ASP 17 -6.441 -0.446 10.067
97 HB2 ASP 17 2HB ASP 17 -4.420 -2.411 8.989
98 HB3 ASP 17 3HB ASP 17 -4.768 -2.258 10.708
99 H GLY 18 H GLY 18 -4.537 1.416 8.401
100 HA2 GLY 18 2HA GLY 18 -3.213 3.179 9.205
101 HA3 GLY 18 3HA GLY 18 -3.003 2.305 10.716
102 H LEU 19 H LEU 19 -2.446 1.002 7.509
103 HA LEU 19 HA LEU 19 0.216 0.158 8.184
104 HB2 LEU 19 2HB LEU 19 -1.231 -0.011 5.551
105 HB3 LEU 19 3HB LEU 19 0.190 -0.920 6.003
106 HG LEU 19 HG LEU 19 -2.187 -1.276 7.741
107 HD11 LEU 19 1HD1 LEU 19 -3.280 -2.816 6.237
108 HD12 LEU 19 2HD1 LEU 19 -2.079 -2.502 4.987
109 HD13 LEU 19 3HD1 LEU 19 -3.191 -1.225 5.485
110 HD21 LEU 19 3HD2 LEU 19 -1.253 -3.287 8.188
111 HD22 LEU 19 1HD2 LEU 19 0.201 -2.466 7.629
112 HD23 LEU 19 2HD2 LEU 19 -0.695 -3.520 6.534
113 H ILE 20 H ILE 20 2.015 0.472 6.598
114 HA ILE 20 HA ILE 20 2.159 3.296 5.773
115 HB ILE 20 HB ILE 20 4.403 1.389 6.510
116 HG12 ILE 20 2HG1 ILE 20 4.048 3.911 8.002
117 HG13 ILE 20 3HG1 ILE 20 2.751 2.741 8.216
118 HG21 ILE 20 1HG2 ILE 20 4.462 4.194 5.429
119 HG22 ILE 20 2HG2 ILE 20 5.385 2.783 4.907
120 HG23 ILE 20 3HG2 ILE 20 5.775 3.576 6.436
121 HD11 ILE 20 3HD1 ILE 20 4.442 2.510 9.942
122 HD12 ILE 20 1HD1 ILE 20 5.680 2.244 8.714
123 HD13 ILE 20 2HD1 ILE 20 4.383 1.068 8.927
124 H CYS 21 H CYS 21 2.912 3.838 3.755
125 HA CYS 21 HA CYS 21 2.671 1.825 1.690
126 HB2 CYS 21 2HB CYS 21 3.031 4.810 1.730
127 HB3 CYS 21 3HB CYS 21 3.237 3.907 0.230
128 H TYR 22 H TYR 22 4.344 0.498 1.513
129 HA TYR 22 HA TYR 22 7.058 1.334 1.930
130 HB2 TYR 22 2HB TYR 22 5.697 -1.251 1.294
131 HB3 TYR 22 3HB TYR 22 7.439 -1.111 1.074
132 HD1 TYR 22 HD1 TYR 22 8.915 -0.803 2.976
133 HD2 TYR 22 HD2 TYR 22 4.719 -1.240 3.516
134 HE1 TYR 22 HE1 TYR 22 9.275 -1.233 5.368
135 HE2 TYR 22 HE2 TYR 22 5.068 -1.674 5.911
136 HH TYR 22 HH TYR 22 6.854 -2.470 7.400
137 HA PRO 23 HA PRO 23 7.945 2.397 -2.311
138 HB2 PRO 23 2HB PRO 23 10.671 2.230 -2.238
139 HB3 PRO 23 3HB PRO 23 9.772 3.559 -1.484
140 HG2 PRO 23 2HG PRO 23 10.965 1.138 -0.222
141 HG3 PRO 23 3HG PRO 23 10.943 2.817 0.353
142 HD2 PRO 23 2HD PRO 23 9.234 0.916 1.292
143 HD3 PRO 23 3HD PRO 23 8.823 2.634 1.212
144 H THR 24 H THR 24 6.874 0.118 -2.541
145 HA THR 24 HA THR 24 8.747 -1.932 -3.455
146 HB THR 24 HB THR 24 6.850 -3.446 -3.516
147 HG1 THR 24 HG1 THR 24 5.300 -1.779 -4.185
148 HG21 THR 24 3HG2 THR 24 7.916 -3.036 -1.325
149 HG22 THR 24 1HG2 THR 24 6.208 -3.450 -1.169
150 HG23 THR 24 2HG2 THR 24 6.727 -1.771 -1.003
151 H PHE 25 H PHE 25 8.552 -2.918 -5.526
152 HA PHE 25 HA PHE 25 7.450 -1.094 -7.541
153 HB2 PHE 25 2HB PHE 25 9.925 -2.655 -7.383
154 HB3 PHE 25 3HB PHE 25 9.106 -2.781 -8.932
155 HD1 PHE 25 HD2 PHE 25 10.471 -0.334 -6.491
156 HD2 PHE 25 HD1 PHE 25 9.260 -1.069 -10.507
157 HE1 PHE 25 HE2 PHE 25 11.417 1.834 -7.172
158 HE2 PHE 25 HE1 PHE 25 10.199 1.095 -11.191
159 HZ PHE 25 HZ PHE 25 11.281 2.551 -9.525
160 HA PRO 26 HA PRO 26 7.084 -1.110 -9.753
161 HB2 PRO 26 2HB PRO 26 4.411 -1.079 -10.851
162 HB3 PRO 26 3HB PRO 26 5.942 -1.360 -11.693
163 HG2 PRO 26 2HG PRO 26 4.027 -3.268 -11.346
164 HG3 PRO 26 3HG PRO 26 5.752 -3.614 -11.570
165 HD2 PRO 26 2HD PRO 26 4.142 -3.596 -9.056
166 HD3 PRO 26 3HD PRO 26 5.453 -4.688 -9.553
167 H GLU 27 H GLU 27 4.017 -1.719 -8.059
168 HA GLU 27 HA GLU 27 3.924 1.124 -7.330
169 HB2 GLU 27 2HB GLU 27 1.496 0.756 -6.834
170 HB3 GLU 27 3HB GLU 27 1.932 0.593 -8.524
171 HG2 GLU 27 2HG GLU 27 1.751 -1.835 -6.791
172 HG3 GLU 27 3HG GLU 27 0.286 -1.094 -7.430
173 HA PRO 28 HA PRO 28 4.822 0.125 -3.080
174 HB2 PRO 28 2HB PRO 28 3.355 2.061 -1.780
175 HB3 PRO 28 3HB PRO 28 4.929 2.355 -2.555
176 HG2 PRO 28 2HG PRO 28 2.191 2.913 -3.578
177 HG3 PRO 28 3HG PRO 28 3.660 3.899 -3.696
178 HD2 PRO 28 2HD PRO 28 2.772 2.443 -5.770
179 HD3 PRO 28 3HD PRO 28 4.506 2.670 -5.459
180 H ILE 29 H ILE 29 3.955 -0.737 -1.156
181 HA ILE 29 HA ILE 29 1.122 -1.561 -1.304
182 HB ILE 29 HB ILE 29 3.288 -3.249 -0.038
183 HG12 ILE 29 2HG1 ILE 29 3.927 -3.118 -2.369
184 HG13 ILE 29 3HG1 ILE 29 3.246 -4.706 -2.060
185 HG21 ILE 29 1HG2 ILE 29 1.054 -3.764 0.723
186 HG22 ILE 29 2HG2 ILE 29 1.663 -5.083 -0.277
187 HG23 ILE 29 3HG2 ILE 29 0.495 -3.942 -0.943
188 HD11 ILE 29 3HD1 ILE 29 1.202 -4.096 -3.194
189 HD12 ILE 29 1HD1 ILE 29 2.581 -3.747 -4.238
190 HD13 ILE 29 2HD1 ILE 29 1.764 -2.434 -3.387
191 H CYS 30 H CYS 30 0.058 -1.871 0.724
192 HA CYS 30 HA CYS 30 0.985 -0.034 2.776
193 HB2 CYS 30 2HB CYS 30 -1.611 -1.303 2.041
194 HB3 CYS 30 3HB CYS 30 -1.384 -0.836 3.715
195 H GLY 31 H GLY 31 2.109 -0.726 4.479
196 HA2 GLY 31 2HA GLY 31 1.421 -3.212 5.818
197 HA3 GLY 31 3HA GLY 31 3.024 -3.162 5.111
198 H VAL 32 H VAL 32 2.032 -3.322 7.935
199 HA VAL 32 HA VAL 32 3.038 -0.849 9.107
200 HB VAL 32 HB VAL 32 2.540 -2.126 11.327
201 HG11 VAL 32 1HG1 VAL 32 0.125 -1.469 9.679
202 HG12 VAL 32 2HG1 VAL 32 1.239 -0.222 10.236
203 HG13 VAL 32 3HG1 VAL 32 0.383 -1.229 11.404
204 HG21 VAL 32 3HG2 VAL 32 0.839 -3.836 11.222
205 HG22 VAL 32 1HG2 VAL 32 2.232 -4.352 10.272
206 HG23 VAL 32 2HG2 VAL 32 0.791 -3.735 9.463
Start of MODEL 19
1 H1 PCA 1 HN PCA 1 -17.421 0.667 1.878
2 HA PCA 1 HA PCA 1 -15.548 2.147 2.814
3 HB2 PCA 1 1HB PCA 1 -13.950 -0.098 3.720
4 HB3 PCA 1 2HB PCA 1 -14.430 1.331 4.400
5 HG2 PCA 1 1HG PCA 1 -15.687 -1.214 5.004
6 HG3 PCA 1 2HG PCA 1 -15.997 0.335 5.504
7 H TRP 2 H TRP 2 -13.653 2.571 1.662
8 HA TRP 2 HA TRP 2 -12.790 0.662 -0.370
9 HB2 TRP 2 2HB TRP 2 -13.514 3.541 -0.978
10 HB3 TRP 2 3HB TRP 2 -12.730 2.437 -2.100
11 HD1 TRP 2 HD1 TRP 2 -16.111 3.104 -0.427
12 HE1 TRP 2 HE1 TRP 2 -17.944 1.875 -1.741
13 HE3 TRP 2 HE3 TRP 2 -13.162 0.453 -3.670
14 HZ2 TRP 2 HZ2 TRP 2 -18.126 0.032 -3.870
15 HZ3 TRP 2 HZ3 TRP 2 -14.251 -1.018 -5.312
16 HH2 TRP 2 HH2 TRP 2 -16.682 -1.223 -5.408
17 H CYS 3 H CYS 3 -10.891 0.321 0.588
18 HA CYS 3 HA CYS 3 -8.848 2.343 0.337
19 HB2 CYS 3 2HB CYS 3 -8.056 2.202 2.663
20 HB3 CYS 3 3HB CYS 3 -9.696 2.836 2.597
21 H ALA 4 H ALA 4 -6.674 1.486 0.712
22 HA ALA 4 HA ALA 4 -6.452 -1.261 -0.206
23 HB1 ALA 4 3HB ALA 4 -4.341 0.859 0.226
24 HB2 ALA 4 1HB ALA 4 -5.128 0.470 -1.303
25 HB3 ALA 4 2HB ALA 4 -4.075 -0.715 -0.529
26 H GLU 5 H GLU 5 -6.177 -2.920 1.132
27 HA GLU 5 HA GLU 5 -5.502 -2.435 3.919
28 HB2 GLU 5 2HB GLU 5 -6.255 -4.729 4.319
29 HB3 GLU 5 3HB GLU 5 -7.457 -3.821 3.421
30 HG2 GLU 5 2HG GLU 5 -6.579 -4.921 1.338
31 HG3 GLU 5 3HG GLU 5 -5.610 -5.955 2.380
32 H GLU 6 H GLU 6 -4.446 -5.124 4.392
33 HA GLU 6 HA GLU 6 -1.666 -4.557 3.853
34 HB2 GLU 6 2HB GLU 6 -1.246 -6.612 5.249
35 HB3 GLU 6 3HB GLU 6 -2.115 -5.323 6.062
36 HG2 GLU 6 2HG GLU 6 -4.218 -6.537 5.739
37 HG3 GLU 6 3HG GLU 6 -3.344 -7.828 4.917
38 H GLY 7 H GLY 7 -0.729 -5.108 2.047
39 HA2 GLY 7 2HA GLY 7 0.190 -6.823 0.634
40 HA3 GLY 7 3HA GLY 7 -1.282 -7.754 0.871
41 H GLU 8 H GLU 8 -2.042 -4.533 0.410
42 HA GLU 8 HA GLU 8 -2.558 -4.955 -2.460
43 HB2 GLU 8 2HB GLU 8 -4.171 -3.531 -0.347
44 HB3 GLU 8 3HB GLU 8 -4.419 -3.223 -2.059
45 HG2 GLU 8 2HG GLU 8 -4.557 -5.999 -0.931
46 HG3 GLU 8 3HG GLU 8 -5.946 -4.915 -0.898
47 H SER 9 H SER 9 -2.581 -2.999 -3.793
48 HA SER 9 HA SER 9 -0.296 -1.343 -3.222
49 HB2 SER 9 2HB SER 9 -0.738 -0.409 -5.488
50 HB3 SER 9 3HB SER 9 -0.608 -2.167 -5.471
51 HG SER 9 HG SER 9 -2.501 -2.171 -6.358
52 H CYS 10 H CYS 10 -0.239 0.685 -2.517
53 HA CYS 10 HA CYS 10 -2.792 2.032 -1.985
54 HB2 CYS 10 2HB CYS 10 -1.600 3.330 -0.306
55 HB3 CYS 10 3HB CYS 10 -1.321 1.612 -0.045
56 H GLU 11 H GLU 11 -1.487 1.979 -4.602
57 HA GLU 11 HA GLU 11 -0.428 4.632 -5.053
58 HB2 GLU 11 2HB GLU 11 -0.166 3.929 -7.376
59 HB3 GLU 11 3HB GLU 11 0.492 2.723 -6.284
60 HG2 GLU 11 2HG GLU 11 -0.618 1.290 -7.627
61 HG3 GLU 11 3HG GLU 11 -2.003 1.741 -6.633
62 H VAL 12 H VAL 12 -3.503 3.293 -4.853
63 HA VAL 12 HA VAL 12 -4.667 5.523 -6.374
64 HB VAL 12 HB VAL 12 -5.045 3.376 -7.528
65 HG11 VAL 12 1HG1 VAL 12 -6.053 2.497 -4.893
66 HG12 VAL 12 2HG1 VAL 12 -5.215 1.590 -6.154
67 HG13 VAL 12 3HG1 VAL 12 -6.938 1.935 -6.312
68 HG21 VAL 12 3HG2 VAL 12 -7.516 4.675 -6.413
69 HG22 VAL 12 1HG2 VAL 12 -7.516 3.533 -7.757
70 HG23 VAL 12 2HG2 VAL 12 -6.666 5.072 -7.906
71 H TYR 13 H TYR 13 -5.002 3.356 -3.595
72 HA TYR 13 HA TYR 13 -6.539 5.440 -2.213
73 HB2 TYR 13 2HB TYR 13 -7.095 2.524 -2.491
74 HB3 TYR 13 3HB TYR 13 -7.517 3.323 -0.993
75 HD1 TYR 13 HD2 TYR 13 -8.140 3.307 -4.641
76 HD2 TYR 13 HD1 TYR 13 -9.438 4.701 -0.837
77 HE1 TYR 13 HE2 TYR 13 -10.241 4.077 -5.651
78 HE2 TYR 13 HE1 TYR 13 -11.547 5.470 -1.834
79 HH TYR 13 HH TYR 13 -12.408 6.134 -4.042
80 HA PRO 14 HA PRO 14 -3.556 5.026 1.086
81 HB2 PRO 14 2HB PRO 14 -5.086 5.674 3.252
82 HB3 PRO 14 3HB PRO 14 -4.567 6.875 2.053
83 HG2 PRO 14 2HG PRO 14 -7.197 5.490 2.316
84 HG3 PRO 14 3HG PRO 14 -6.851 7.195 1.957
85 HD2 PRO 14 2HD PRO 14 -7.508 5.407 0.036
86 HD3 PRO 14 3HD PRO 14 -6.424 6.776 -0.260
87 H CYS 15 H CYS 15 -3.545 4.068 3.538
88 HA CYS 15 HA CYS 15 -4.147 1.261 3.244
89 HB2 CYS 15 2HB CYS 15 -2.972 2.692 5.633
90 HB3 CYS 15 3HB CYS 15 -2.970 0.965 5.345
91 H CYS 16 H CYS 16 -5.036 0.161 5.416
92 HA CYS 16 HA CYS 16 -7.555 1.560 6.022
93 HB2 CYS 16 2HB CYS 16 -7.112 -1.421 5.876
94 HB3 CYS 16 3HB CYS 16 -8.649 -0.607 6.151
95 H ASP 17 H ASP 17 -5.406 -0.952 7.405
96 HA ASP 17 HA ASP 17 -6.436 -0.443 10.071
97 HB2 ASP 17 2HB ASP 17 -5.759 -2.730 9.000
98 HB3 ASP 17 3HB ASP 17 -4.128 -2.271 9.479
99 H GLY 18 H GLY 18 -4.552 1.438 8.414
100 HA2 GLY 18 2HA GLY 18 -3.207 3.185 9.205
101 HA3 GLY 18 3HA GLY 18 -2.997 2.311 10.716
102 H LEU 19 H LEU 19 -2.450 1.004 7.506
103 HA LEU 19 HA LEU 19 0.212 0.155 8.176
104 HB2 LEU 19 2HB LEU 19 -1.238 -0.012 5.545
105 HB3 LEU 19 3HB LEU 19 0.179 -0.924 5.998
106 HG LEU 19 HG LEU 19 -2.195 -1.275 7.737
107 HD11 LEU 19 1HD1 LEU 19 -2.098 -2.501 4.984
108 HD12 LEU 19 2HD1 LEU 19 -3.199 -1.216 5.480
109 HD13 LEU 19 3HD1 LEU 19 -3.301 -2.804 6.235
110 HD21 LEU 19 3HD2 LEU 19 -0.707 -3.517 6.519
111 HD22 LEU 19 1HD2 LEU 19 -1.273 -3.296 8.172
112 HD23 LEU 19 2HD2 LEU 19 0.187 -2.472 7.625
113 H ILE 20 H ILE 20 2.010 0.467 6.598
114 HA ILE 20 HA ILE 20 2.157 3.289 5.768
115 HB ILE 20 HB ILE 20 4.399 1.381 6.507
116 HG12 ILE 20 2HG1 ILE 20 4.047 3.908 7.993
117 HG13 ILE 20 3HG1 ILE 20 2.750 2.739 8.211
118 HG21 ILE 20 1HG2 ILE 20 4.462 4.182 5.418
119 HG22 ILE 20 2HG2 ILE 20 5.385 2.769 4.905
120 HG23 ILE 20 3HG2 ILE 20 5.773 3.568 6.430
121 HD11 ILE 20 3HD1 ILE 20 4.382 1.068 8.926
122 HD12 ILE 20 1HD1 ILE 20 4.440 2.512 9.937
123 HD13 ILE 20 2HD1 ILE 20 5.677 2.243 8.710
124 H CYS 21 H CYS 21 2.909 3.828 3.750
125 HA CYS 21 HA CYS 21 2.666 1.815 1.686
126 HB2 CYS 21 2HB CYS 21 3.026 4.799 1.723
127 HB3 CYS 21 3HB CYS 21 3.236 3.897 0.225
128 H TYR 22 H TYR 22 4.337 0.484 1.515
129 HA TYR 22 HA TYR 22 7.053 1.311 1.932
130 HB2 TYR 22 2HB TYR 22 5.680 -1.264 1.288
131 HB3 TYR 22 3HB TYR 22 7.422 -1.132 1.059
132 HD1 TYR 22 HD1 TYR 22 8.908 -0.851 2.952
133 HD2 TYR 22 HD2 TYR 22 4.711 -1.246 3.515
134 HE1 TYR 22 HE1 TYR 22 9.279 -1.293 5.342
135 HE2 TYR 22 HE2 TYR 22 5.069 -1.692 5.908
136 HH TYR 22 HH TYR 22 6.858 -2.513 7.382
137 HA PRO 23 HA PRO 23 7.943 2.392 -2.305
138 HB2 PRO 23 2HB PRO 23 10.669 2.225 -2.231
139 HB3 PRO 23 3HB PRO 23 9.769 3.552 -1.472
140 HG2 PRO 23 2HG PRO 23 10.962 1.126 -0.219
141 HG3 PRO 23 3HG PRO 23 10.937 2.802 0.365
142 HD2 PRO 23 2HD PRO 23 9.229 0.894 1.292
143 HD3 PRO 23 3HD PRO 23 8.819 2.614 1.220
144 H THR 24 H THR 24 6.872 0.122 -2.554
145 HA THR 24 HA THR 24 8.743 -1.928 -3.474
146 HB THR 24 HB THR 24 6.846 -3.441 -3.545
147 HG1 THR 24 HG1 THR 24 4.934 -2.618 -3.885
148 HG21 THR 24 3HG2 THR 24 6.190 -3.448 -1.200
149 HG22 THR 24 1HG2 THR 24 6.718 -1.773 -1.026
150 HG23 THR 24 2HG2 THR 24 7.901 -3.044 -1.348
151 H PHE 25 H PHE 25 8.555 -2.897 -5.550
152 HA PHE 25 HA PHE 25 7.479 -1.050 -7.556
153 HB2 PHE 25 2HB PHE 25 9.929 -2.656 -7.399
154 HB3 PHE 25 3HB PHE 25 9.117 -2.745 -8.954
155 HD1 PHE 25 HD2 PHE 25 10.509 -0.356 -6.470
156 HD2 PHE 25 HD1 PHE 25 9.315 -1.015 -10.505
157 HE1 PHE 25 HE2 PHE 25 11.497 1.804 -7.115
158 HE2 PHE 25 HE1 PHE 25 10.297 1.141 -11.153
159 HZ PHE 25 HZ PHE 25 11.393 2.555 -9.459
160 HA PRO 26 HA PRO 26 7.129 -1.036 -9.757
161 HB2 PRO 26 2HB PRO 26 4.491 -0.962 -10.914
162 HB3 PRO 26 3HB PRO 26 6.033 -1.284 -11.723
163 HG2 PRO 26 2HG PRO 26 4.058 -3.141 -11.405
164 HG3 PRO 26 3HG PRO 26 5.777 -3.532 -11.606
165 HD2 PRO 26 2HD PRO 26 4.136 -3.470 -9.113
166 HD3 PRO 26 3HD PRO 26 5.424 -4.596 -9.591
167 H GLU 27 H GLU 27 4.102 -1.670 -8.050
168 HA GLU 27 HA GLU 27 3.948 1.176 -7.328
169 HB2 GLU 27 2HB GLU 27 1.495 0.674 -6.832
170 HB3 GLU 27 3HB GLU 27 1.972 0.714 -8.519
171 HG2 GLU 27 2HG GLU 27 2.193 -1.857 -8.268
172 HG3 GLU 27 3HG GLU 27 1.201 -1.631 -6.830
173 HA PRO 28 HA PRO 28 4.817 0.127 -3.085
174 HB2 PRO 28 2HB PRO 28 3.344 2.052 -1.777
175 HB3 PRO 28 3HB PRO 28 4.922 2.351 -2.539
176 HG2 PRO 28 2HG PRO 28 2.192 2.919 -3.577
177 HG3 PRO 28 3HG PRO 28 3.663 3.906 -3.673
178 HD2 PRO 28 2HD PRO 28 2.792 2.473 -5.767
179 HD3 PRO 28 3HD PRO 28 4.523 2.694 -5.440
180 H ILE 29 H ILE 29 3.940 -0.724 -1.159
181 HA ILE 29 HA ILE 29 1.115 -1.570 -1.316
182 HB ILE 29 HB ILE 29 3.294 -3.239 -0.046
183 HG12 ILE 29 2HG1 ILE 29 3.924 -3.119 -2.379
184 HG13 ILE 29 3HG1 ILE 29 3.250 -4.707 -2.060
185 HG21 ILE 29 1HG2 ILE 29 1.065 -3.763 0.727
186 HG22 ILE 29 2HG2 ILE 29 1.687 -5.087 -0.258
187 HG23 ILE 29 3HG2 ILE 29 0.505 -3.966 -0.933
188 HD11 ILE 29 3HD1 ILE 29 2.568 -3.774 -4.239
189 HD12 ILE 29 1HD1 ILE 29 1.764 -2.446 -3.400
190 HD13 ILE 29 2HD1 ILE 29 1.193 -4.102 -3.184
191 H CYS 30 H CYS 30 0.053 -1.892 0.721
192 HA CYS 30 HA CYS 30 0.977 -0.046 2.770
193 HB2 CYS 30 2HB CYS 30 -1.619 -1.321 2.042
194 HB3 CYS 30 3HB CYS 30 -1.388 -0.847 3.714
195 H GLY 31 H GLY 31 2.098 -0.733 4.475
196 HA2 GLY 31 2HA GLY 31 1.416 -3.218 5.816
197 HA3 GLY 31 3HA GLY 31 3.016 -3.171 5.105
198 H VAL 32 H VAL 32 2.026 -3.323 7.932
199 HA VAL 32 HA VAL 32 3.038 -0.850 9.097
200 HB VAL 32 HB VAL 32 2.543 -2.123 11.320
201 HG11 VAL 32 1HG1 VAL 32 1.240 -0.220 10.229
202 HG12 VAL 32 2HG1 VAL 32 0.388 -1.225 11.397
203 HG13 VAL 32 3HG1 VAL 32 0.125 -1.469 9.674
204 HG21 VAL 32 3HG2 VAL 32 2.231 -4.350 10.255
205 HG22 VAL 32 1HG2 VAL 32 0.779 -3.729 9.468
206 HG23 VAL 32 2HG2 VAL 32 0.851 -3.838 11.226
Start of MODEL 20
1 H1 PCA 1 HN PCA 1 -17.409 0.734 2.084
2 HA PCA 1 HA PCA 1 -15.512 2.215 2.966
3 HB2 PCA 1 1HB PCA 1 -13.900 -0.027 3.856
4 HB3 PCA 1 2HB PCA 1 -14.361 1.411 4.535
5 HG2 PCA 1 1HG PCA 1 -15.612 -1.125 5.189
6 HG3 PCA 1 2HG PCA 1 -15.906 0.429 5.681
7 H TRP 2 H TRP 2 -13.640 2.624 1.772
8 HA TRP 2 HA TRP 2 -12.826 0.696 -0.264
9 HB2 TRP 2 2HB TRP 2 -13.559 3.570 -0.883
10 HB3 TRP 2 3HB TRP 2 -12.802 2.451 -2.011
11 HD1 TRP 2 HD1 TRP 2 -16.144 3.152 -0.275
12 HE1 TRP 2 HE1 TRP 2 -18.009 1.910 -1.532
13 HE3 TRP 2 HE3 TRP 2 -13.274 0.443 -3.542
14 HZ2 TRP 2 HZ2 TRP 2 -18.243 0.037 -3.628
15 HZ3 TRP 2 HZ3 TRP 2 -14.403 -1.048 -5.138
16 HH2 TRP 2 HH2 TRP 2 -16.835 -1.247 -5.179
17 H CYS 3 H CYS 3 -10.905 0.360 0.652
18 HA CYS 3 HA CYS 3 -8.863 2.373 0.335
19 HB2 CYS 3 2HB CYS 3 -8.026 2.250 2.655
20 HB3 CYS 3 3HB CYS 3 -9.654 2.915 2.598
21 H ALA 4 H ALA 4 -6.676 1.499 0.737
22 HA ALA 4 HA ALA 4 -6.478 -1.240 -0.201
23 HB1 ALA 4 3HB ALA 4 -5.122 0.568 -1.208
24 HB2 ALA 4 1HB ALA 4 -4.129 -0.739 -0.558
25 HB3 ALA 4 2HB ALA 4 -4.291 0.777 0.334
26 H GLU 5 H GLU 5 -6.173 -2.939 1.085
27 HA GLU 5 HA GLU 5 -5.603 -2.521 3.905
28 HB2 GLU 5 2HB GLU 5 -6.296 -4.851 4.212
29 HB3 GLU 5 3HB GLU 5 -7.497 -3.949 3.307
30 HG2 GLU 5 2HG GLU 5 -6.541 -4.956 1.222
31 HG3 GLU 5 3HG GLU 5 -5.549 -5.985 2.249
32 H GLU 6 H GLU 6 -4.481 -5.207 4.324
33 HA GLU 6 HA GLU 6 -1.696 -4.528 3.887
34 HB2 GLU 6 2HB GLU 6 -2.374 -7.150 5.112
35 HB3 GLU 6 3HB GLU 6 -1.157 -5.973 5.578
36 HG2 GLU 6 2HG GLU 6 -2.769 -4.652 6.726
37 HG3 GLU 6 3HG GLU 6 -4.099 -5.620 6.098
38 H GLY 7 H GLY 7 -0.665 -5.080 2.133
39 HA2 GLY 7 2HA GLY 7 0.305 -6.746 0.714
40 HA3 GLY 7 3HA GLY 7 -1.140 -7.723 0.928
41 H GLU 8 H GLU 8 -2.019 -4.539 0.448
42 HA GLU 8 HA GLU 8 -2.479 -4.993 -2.425
43 HB2 GLU 8 2HB GLU 8 -4.139 -3.621 -0.325
44 HB3 GLU 8 3HB GLU 8 -4.357 -3.246 -2.027
45 HG2 GLU 8 2HG GLU 8 -4.502 -6.060 -0.996
46 HG3 GLU 8 3HG GLU 8 -5.898 -4.987 -0.984
47 H SER 9 H SER 9 -2.564 -3.029 -3.768
48 HA SER 9 HA SER 9 -0.291 -1.349 -3.228
49 HB2 SER 9 2HB SER 9 -0.730 -0.442 -5.484
50 HB3 SER 9 3HB SER 9 -0.662 -2.202 -5.473
51 HG SER 9 HG SER 9 -2.833 -0.507 -5.894
52 H CYS 10 H CYS 10 -0.231 0.747 -2.682
53 HA CYS 10 HA CYS 10 -2.804 2.042 -2.075
54 HB2 CYS 10 2HB CYS 10 -1.631 3.324 -0.364
55 HB3 CYS 10 3HB CYS 10 -1.375 1.601 -0.116
56 H GLU 11 H GLU 11 -1.655 2.077 -4.697
57 HA GLU 11 HA GLU 11 -0.513 4.718 -5.076
58 HB2 GLU 11 2HB GLU 11 -0.358 4.106 -7.454
59 HB3 GLU 11 3HB GLU 11 0.389 2.906 -6.414
60 HG2 GLU 11 2HG GLU 11 -1.174 1.301 -6.914
61 HG3 GLU 11 3HG GLU 11 -2.431 2.480 -7.280
62 H VAL 12 H VAL 12 -3.620 3.370 -4.960
63 HA VAL 12 HA VAL 12 -4.756 5.704 -6.347
64 HB VAL 12 HB VAL 12 -5.229 3.629 -7.581
65 HG11 VAL 12 1HG1 VAL 12 -5.359 1.784 -6.272
66 HG12 VAL 12 2HG1 VAL 12 -7.082 2.142 -6.369
67 HG13 VAL 12 3HG1 VAL 12 -6.158 2.638 -4.952
68 HG21 VAL 12 3HG2 VAL 12 -7.652 4.878 -6.303
69 HG22 VAL 12 1HG2 VAL 12 -7.698 3.830 -7.721
70 HG23 VAL 12 2HG2 VAL 12 -6.847 5.373 -7.792
71 H TYR 13 H TYR 13 -5.096 3.441 -3.650
72 HA TYR 13 HA TYR 13 -6.586 5.493 -2.175
73 HB2 TYR 13 2HB TYR 13 -7.138 2.585 -2.519
74 HB3 TYR 13 3HB TYR 13 -7.529 3.337 -0.991
75 HD1 TYR 13 HD2 TYR 13 -8.251 3.389 -4.616
76 HD2 TYR 13 HD1 TYR 13 -9.433 4.746 -0.761
77 HE1 TYR 13 HE2 TYR 13 -10.377 4.184 -5.556
78 HE2 TYR 13 HE1 TYR 13 -11.562 5.540 -1.690
79 HH TYR 13 HH TYR 13 -12.481 6.235 -3.863
80 HA PRO 14 HA PRO 14 -3.532 5.010 1.042
81 HB2 PRO 14 2HB PRO 14 -4.990 5.669 3.245
82 HB3 PRO 14 3HB PRO 14 -4.523 6.868 2.025
83 HG2 PRO 14 2HG PRO 14 -7.133 5.461 2.377
84 HG3 PRO 14 3HG PRO 14 -6.814 7.172 2.017
85 HD2 PRO 14 2HD PRO 14 -7.513 5.383 0.109
86 HD3 PRO 14 3HD PRO 14 -6.462 6.769 -0.215
87 H CYS 15 H CYS 15 -3.569 4.086 3.544
88 HA CYS 15 HA CYS 15 -4.135 1.265 3.251
89 HB2 CYS 15 2HB CYS 15 -2.960 2.740 5.614
90 HB3 CYS 15 3HB CYS 15 -2.963 1.008 5.373
91 H CYS 16 H CYS 16 -5.016 0.198 5.474
92 HA CYS 16 HA CYS 16 -7.529 1.614 6.076
93 HB2 CYS 16 2HB CYS 16 -7.142 -1.375 5.907
94 HB3 CYS 16 3HB CYS 16 -8.662 -0.530 6.177
95 H ASP 17 H ASP 17 -5.429 -0.963 7.417
96 HA ASP 17 HA ASP 17 -6.435 -0.469 10.094
97 HB2 ASP 17 2HB ASP 17 -4.468 -2.458 8.962
98 HB3 ASP 17 3HB ASP 17 -4.798 -2.330 10.687
99 H GLY 18 H GLY 18 -4.503 1.387 8.455
100 HA2 GLY 18 2HA GLY 18 -3.143 3.105 9.301
101 HA3 GLY 18 3HA GLY 18 -2.925 2.179 10.778
102 H LEU 19 H LEU 19 -2.440 0.966 7.524
103 HA LEU 19 HA LEU 19 0.224 0.068 8.128
104 HB2 LEU 19 2HB LEU 19 -1.246 0.003 5.507
105 HB3 LEU 19 3HB LEU 19 0.154 -0.953 5.929
106 HG LEU 19 HG LEU 19 -2.219 -1.315 7.668
107 HD11 LEU 19 1HD1 LEU 19 -3.462 -2.638 6.160
108 HD12 LEU 19 2HD1 LEU 19 -2.196 -2.572 4.937
109 HD13 LEU 19 3HD1 LEU 19 -3.136 -1.131 5.316
110 HD21 LEU 19 3HD2 LEU 19 -1.347 -3.380 8.010
111 HD22 LEU 19 1HD2 LEU 19 0.129 -2.564 7.504
112 HD23 LEU 19 2HD2 LEU 19 -0.779 -3.546 6.349
113 H ILE 20 H ILE 20 1.998 0.415 6.529
114 HA ILE 20 HA ILE 20 2.132 3.251 5.743
115 HB ILE 20 HB ILE 20 4.390 1.363 6.481
116 HG12 ILE 20 2HG1 ILE 20 4.004 3.875 7.985
117 HG13 ILE 20 3HG1 ILE 20 2.718 2.690 8.186
118 HG21 ILE 20 1HG2 ILE 20 4.416 4.161 5.387
119 HG22 ILE 20 2HG2 ILE 20 5.386 2.765 4.908
120 HG23 ILE 20 3HG2 ILE 20 5.722 3.591 6.431
121 HD11 ILE 20 3HD1 ILE 20 4.404 2.470 9.919
122 HD12 ILE 20 1HD1 ILE 20 5.648 2.221 8.695
123 HD13 ILE 20 2HD1 ILE 20 4.362 1.031 8.899
124 H CYS 21 H CYS 21 2.853 3.805 3.724
125 HA CYS 21 HA CYS 21 2.649 1.798 1.656
126 HB2 CYS 21 2HB CYS 21 2.976 4.785 1.706
127 HB3 CYS 21 3HB CYS 21 3.194 3.890 0.203
128 H TYR 22 H TYR 22 4.336 0.482 1.509
129 HA TYR 22 HA TYR 22 7.042 1.343 1.923
130 HB2 TYR 22 2HB TYR 22 5.704 -1.255 1.285
131 HB3 TYR 22 3HB TYR 22 7.447 -1.099 1.079
132 HD1 TYR 22 HD1 TYR 22 8.901 -0.759 2.997
133 HD2 TYR 22 HD2 TYR 22 4.708 -1.263 3.488
134 HE1 TYR 22 HE1 TYR 22 9.242 -1.182 5.395
135 HE2 TYR 22 HE2 TYR 22 5.034 -1.689 5.889
136 HH TYR 22 HH TYR 22 7.957 -1.054 7.489
137 HA PRO 23 HA PRO 23 7.932 2.402 -2.318
138 HB2 PRO 23 2HB PRO 23 10.661 2.260 -2.238
139 HB3 PRO 23 3HB PRO 23 9.747 3.583 -1.488
140 HG2 PRO 23 2HG PRO 23 10.959 1.174 -0.220
141 HG3 PRO 23 3HG PRO 23 10.919 2.853 0.354
142 HD2 PRO 23 2HD PRO 23 9.225 0.935 1.288
143 HD3 PRO 23 3HD PRO 23 8.802 2.650 1.210
144 H THR 24 H THR 24 6.882 0.124 -2.552
145 HA THR 24 HA THR 24 8.770 -1.921 -3.450
146 HB THR 24 HB THR 24 6.879 -3.446 -3.515
147 HG1 THR 24 HG1 THR 24 5.091 -1.574 -2.468
148 HG21 THR 24 3HG2 THR 24 6.753 -1.777 -0.997
149 HG22 THR 24 1HG2 THR 24 7.951 -3.031 -1.326
150 HG23 THR 24 2HG2 THR 24 6.247 -3.460 -1.166
151 H PHE 25 H PHE 25 8.621 -2.890 -5.517
152 HA PHE 25 HA PHE 25 7.514 -1.083 -7.541
153 HB2 PHE 25 2HB PHE 25 9.983 -2.656 -7.366
154 HB3 PHE 25 3HB PHE 25 9.175 -2.767 -8.923
155 HD1 PHE 25 HD2 PHE 25 10.531 -0.341 -6.455
156 HD2 PHE 25 HD1 PHE 25 9.355 -1.048 -10.486
157 HE1 PHE 25 HE2 PHE 25 11.494 1.826 -7.114
158 HE2 PHE 25 HE1 PHE 25 10.310 1.116 -11.150
159 HZ PHE 25 HZ PHE 25 11.384 2.557 -9.464
160 HA PRO 26 HA PRO 26 7.169 -1.093 -9.741
161 HB2 PRO 26 2HB PRO 26 4.535 -1.064 -10.909
162 HB3 PRO 26 3HB PRO 26 6.083 -1.377 -11.708
163 HG2 PRO 26 2HG PRO 26 4.128 -3.254 -11.375
164 HG3 PRO 26 3HG PRO 26 5.851 -3.626 -11.570
165 HD2 PRO 26 2HD PRO 26 4.204 -3.559 -9.080
166 HD3 PRO 26 3HD PRO 26 5.506 -4.673 -9.546
167 H GLU 27 H GLU 27 4.161 -1.755 -8.018
168 HA GLU 27 HA GLU 27 3.953 1.100 -7.341
169 HB2 GLU 27 2HB GLU 27 1.517 0.597 -6.860
170 HB3 GLU 27 3HB GLU 27 1.994 0.545 -8.547
171 HG2 GLU 27 2HG GLU 27 2.230 -2.004 -8.159
172 HG3 GLU 27 3HG GLU 27 1.247 -1.711 -6.726
173 HA PRO 28 HA PRO 28 4.832 0.117 -3.082
174 HB2 PRO 28 2HB PRO 28 3.336 2.041 -1.800
175 HB3 PRO 28 3HB PRO 28 4.913 2.347 -2.563
176 HG2 PRO 28 2HG PRO 28 2.180 2.878 -3.611
177 HG3 PRO 28 3HG PRO 28 3.642 3.877 -3.718
178 HD2 PRO 28 2HD PRO 28 2.782 2.405 -5.795
179 HD3 PRO 28 3HD PRO 28 4.510 2.652 -5.473
180 H ILE 29 H ILE 29 3.946 -0.717 -1.145
181 HA ILE 29 HA ILE 29 1.126 -1.576 -1.308
182 HB ILE 29 HB ILE 29 3.316 -3.249 -0.060
183 HG12 ILE 29 2HG1 ILE 29 3.905 -3.111 -2.405
184 HG13 ILE 29 3HG1 ILE 29 3.255 -4.707 -2.077
185 HG21 ILE 29 1HG2 ILE 29 1.709 -5.096 -0.254
186 HG22 ILE 29 2HG2 ILE 29 0.515 -3.974 -0.908
187 HG23 ILE 29 3HG2 ILE 29 1.099 -3.775 0.744
188 HD11 ILE 29 3HD1 ILE 29 1.747 -2.453 -3.407
189 HD12 ILE 29 1HD1 ILE 29 1.159 -4.097 -3.149
190 HD13 ILE 29 2HD1 ILE 29 2.514 -3.806 -4.239
191 H CYS 30 H CYS 30 0.044 -1.853 0.699
192 HA CYS 30 HA CYS 30 0.970 -0.038 2.768
193 HB2 CYS 30 2HB CYS 30 -1.622 -1.313 2.021
194 HB3 CYS 30 3HB CYS 30 -1.402 -0.851 3.697
195 H GLY 31 H GLY 31 2.110 -0.747 4.457
196 HA2 GLY 31 2HA GLY 31 1.427 -3.257 5.759
197 HA3 GLY 31 3HA GLY 31 3.040 -3.166 5.082
198 H VAL 32 H VAL 32 1.951 -3.370 7.885
199 HA VAL 32 HA VAL 32 2.896 -0.914 9.125
200 HB VAL 32 HB VAL 32 2.372 -2.243 11.306
201 HG11 VAL 32 1HG1 VAL 32 1.055 -0.350 10.256
202 HG12 VAL 32 2HG1 VAL 32 0.167 -1.434 11.325
203 HG13 VAL 32 3HG1 VAL 32 0.006 -1.594 9.577
204 HG21 VAL 32 3HG2 VAL 32 0.690 -3.984 11.108
205 HG22 VAL 32 1HG2 VAL 32 2.150 -4.459 10.237
206 HG23 VAL 32 2HG2 VAL 32 0.744 -3.870 9.349