Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
556728 | 2lqa RC | 18300 | 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 H PCA 1 -11.609 7.628 4.405
2 HA PCA 1 HA PCA 1 -9.434 6.829 4.955
3 HB2 PCA 1 3HB PCA 1 -9.992 4.509 5.218
4 HB3 PCA 1 2HB PCA 1 -9.237 4.335 3.586
5 HG2 PCA 1 3HG PCA 1 -11.644 3.742 3.554
6 HG3 PCA 1 2HG PCA 1 -11.622 3.934 5.326
7 H GLY 2 H GLY 2 -7.569 7.232 3.804
8 HA2 GLY 2 2HA GLY 2 -7.856 7.636 0.897
9 HA3 GLY 2 3HA GLY 2 -6.721 8.493 1.929
10 H CYS 3 H CYS 3 -5.399 6.629 3.275
11 HA CYS 3 HA CYS 3 -4.000 5.145 1.170
12 HB2 CYS 3 2HB CYS 3 -2.135 5.020 2.769
13 HB3 CYS 3 3HB CYS 3 -2.639 6.683 2.494
14 H ALA 4 H ALA 4 -3.275 2.965 1.549
15 HA ALA 4 HA ALA 4 -5.249 1.394 3.015
16 HB1 ALA 4 3HB ALA 4 -4.873 -0.256 1.521
17 HB2 ALA 4 1HB ALA 4 -3.128 -0.004 1.530
18 HB3 ALA 4 2HB ALA 4 -4.165 1.044 0.563
19 H PHE 5 H PHE 5 -4.716 -0.249 4.488
20 HA PHE 5 HA PHE 5 -2.226 0.236 5.946
21 HB2 PHE 5 2HB PHE 5 -3.365 -1.119 7.779
22 HB3 PHE 5 3HB PHE 5 -4.070 0.446 7.414
23 HD1 PHE 5 HD1 PHE 5 -4.481 -3.201 6.854
24 HD2 PHE 5 HD2 PHE 5 -6.327 0.635 6.830
25 HE1 PHE 5 HE1 PHE 5 -6.683 -4.265 6.587
26 HE2 PHE 5 HE2 PHE 5 -8.531 -0.423 6.561
27 HZ PHE 5 HZ PHE 5 -8.711 -2.876 6.439
28 H GLU 6 H GLU 6 -1.370 -1.810 7.108
29 HA GLU 6 HA GLU 6 -0.269 -3.542 5.208
30 HB2 GLU 6 2HB GLU 6 0.478 -2.902 7.630
31 HB3 GLU 6 3HB GLU 6 -0.467 -4.305 8.099
32 HG2 GLU 6 2HG GLU 6 0.909 -5.687 6.574
33 HG3 GLU 6 3HG GLU 6 1.901 -4.270 6.240
34 H GLY 7 H GLY 7 -0.902 -5.377 4.296
35 HA2 GLY 7 2HA GLY 7 -1.815 -7.608 4.502
36 HA3 GLY 7 3HA GLY 7 -3.031 -6.961 5.587
37 H GLU 8 H GLU 8 -3.321 -4.622 3.564
38 HA GLU 8 HA GLU 8 -5.127 -6.108 1.780
39 HB2 GLU 8 2HB GLU 8 -6.481 -4.081 1.606
40 HB3 GLU 8 3HB GLU 8 -6.286 -4.562 3.281
41 HG2 GLU 8 2HG GLU 8 -4.877 -2.762 3.757
42 HG3 GLU 8 3HG GLU 8 -4.531 -2.467 2.053
43 H SER 9 H SER 9 -5.668 -4.664 -0.270
44 HA SER 9 HA SER 9 -3.146 -4.379 -1.700
45 HB2 SER 9 2HB SER 9 -4.631 -4.274 -3.724
46 HB3 SER 9 3HB SER 9 -4.791 -5.759 -2.789
47 HG SER 9 HG SER 9 -6.843 -5.113 -3.148
48 H CYS 10 H CYS 10 -2.549 -2.565 -2.862
49 HA CYS 10 HA CYS 10 -4.060 -0.088 -2.406
50 HB2 CYS 10 2HB CYS 10 -1.767 1.033 -2.072
51 HB3 CYS 10 3HB CYS 10 -2.405 0.083 -0.735
52 H ASN 11 H ASN 11 -4.329 1.075 -4.190
53 HA ASN 11 HA ASN 11 -2.832 0.356 -6.605
54 HB2 ASN 11 2HB ASN 11 -5.526 1.458 -6.062
55 HB3 ASN 11 3HB ASN 11 -4.717 2.088 -7.494
56 HD21 ASN 11 1HD2 ASN 11 -4.110 0.636 -9.141
57 HD22 ASN 11 2HD2 ASN 11 -4.916 -0.881 -9.327
58 H VAL 12 H VAL 12 -1.198 1.564 -7.240
59 HA VAL 12 HA VAL 12 -0.539 4.045 -5.979
60 HB VAL 12 HB VAL 12 1.399 4.112 -7.549
61 HG11 VAL 12 1HG1 VAL 12 1.566 2.986 -5.396
62 HG12 VAL 12 2HG1 VAL 12 2.545 2.170 -6.615
63 HG13 VAL 12 3HG1 VAL 12 0.995 1.485 -6.126
64 HG21 VAL 12 3HG2 VAL 12 1.872 2.166 -8.974
65 HG22 VAL 12 1HG2 VAL 12 0.418 3.016 -9.498
66 HG23 VAL 12 2HG2 VAL 12 0.280 1.506 -8.597
67 H GLN 13 H GLN 13 -2.944 3.705 -8.007
68 HA GLN 13 HA GLN 13 -2.322 6.017 -9.712
69 HB2 GLN 13 2HB GLN 13 -3.213 3.708 -10.577
70 HB3 GLN 13 3HB GLN 13 -4.768 4.312 -10.033
71 HG2 GLN 13 2HG GLN 13 -4.724 4.875 -12.281
72 HG3 GLN 13 3HG GLN 13 -4.248 6.372 -11.481
73 HE21 GLN 13 1HE2 GLN 13 -2.117 7.078 -11.638
74 HE22 GLN 13 2HE2 GLN 13 -1.029 6.460 -12.829
75 H PHE 14 H PHE 14 -4.445 4.910 -7.146
76 HA PHE 14 HA PHE 14 -5.449 7.619 -6.787
77 HB2 PHE 14 2HB PHE 14 -7.842 6.544 -6.498
78 HB3 PHE 14 3HB PHE 14 -7.267 7.031 -8.087
79 HD1 PHE 14 HD2 PHE 14 -7.999 4.185 -5.899
80 HD2 PHE 14 HD1 PHE 14 -6.738 5.411 -9.770
81 HE1 PHE 14 HE2 PHE 14 -8.327 1.892 -6.726
82 HE2 PHE 14 HE1 PHE 14 -7.060 3.120 -10.606
83 HZ PHE 14 HZ PHE 14 -7.847 1.360 -9.080
84 H TYR 15 H TYR 15 -4.955 4.385 -5.531
85 HA TYR 15 HA TYR 15 -5.550 5.422 -2.835
86 HB2 TYR 15 2HB TYR 15 -7.187 3.681 -3.866
87 HB3 TYR 15 3HB TYR 15 -5.917 2.518 -3.515
88 HD1 TYR 15 HD1 TYR 15 -8.260 4.946 -1.995
89 HD2 TYR 15 HD2 TYR 15 -5.563 1.729 -1.298
90 HE1 TYR 15 HE1 TYR 15 -9.100 4.749 0.308
91 HE2 TYR 15 HE2 TYR 15 -6.397 1.525 1.006
92 HH TYR 15 HH TYR 15 -7.524 2.918 2.689
93 HA PRO 16 HA PRO 16 -1.172 3.932 -2.743
94 HB2 PRO 16 2HB PRO 16 -0.151 5.964 -1.262
95 HB3 PRO 16 3HB PRO 16 -0.401 6.099 -3.012
96 HG2 PRO 16 2HG PRO 16 -2.025 7.205 -0.785
97 HG3 PRO 16 3HG PRO 16 -1.644 7.909 -2.368
98 HD2 PRO 16 2HD PRO 16 -4.033 6.680 -1.736
99 HD3 PRO 16 3HD PRO 16 -3.408 6.891 -3.380
100 H CYS 17 H CYS 17 0.332 3.652 -0.741
101 HA CYS 17 HA CYS 17 -1.251 2.432 1.375
102 HB2 CYS 17 2HB CYS 17 0.786 1.370 0.191
103 HB3 CYS 17 3HB CYS 17 1.756 2.420 1.218
104 H CYS 18 H CYS 18 -0.623 2.728 3.670
105 HA CYS 18 HA CYS 18 -0.452 5.534 4.302
106 HB2 CYS 18 2HB CYS 18 -0.698 3.108 6.088
107 HB3 CYS 18 3HB CYS 18 -0.783 4.775 6.647
108 HA PRO 19 HA PRO 19 4.031 5.130 4.978
109 HB2 PRO 19 2HB PRO 19 4.675 7.720 4.593
110 HB3 PRO 19 3HB PRO 19 4.277 6.647 3.239
111 HG2 PRO 19 2HG PRO 19 2.632 8.758 4.517
112 HG3 PRO 19 3HG PRO 19 2.718 8.263 2.816
113 HD2 PRO 19 2HD PRO 19 0.737 7.501 4.626
114 HD3 PRO 19 3HD PRO 19 1.086 6.712 3.077
115 H GLY 20 H GLY 20 5.623 6.476 6.397
116 HA2 GLY 20 2HA GLY 20 5.994 7.807 8.340
117 HA3 GLY 20 3HA GLY 20 4.304 7.601 8.770
118 H LEU 21 H LEU 21 4.144 4.792 8.488
119 HA LEU 21 HA LEU 21 5.459 3.985 10.954
120 HB2 LEU 21 2HB LEU 21 3.385 2.624 9.234
121 HB3 LEU 21 3HB LEU 21 4.042 1.929 10.702
122 HG LEU 21 HG LEU 21 2.781 4.632 10.856
123 HD11 LEU 21 1HD1 LEU 21 0.584 3.603 11.196
124 HD12 LEU 21 2HD1 LEU 21 1.251 2.037 10.736
125 HD13 LEU 21 3HD1 LEU 21 1.180 3.346 9.557
126 HD21 LEU 21 3HD2 LEU 21 3.883 3.688 12.820
127 HD22 LEU 21 1HD2 LEU 21 2.861 2.255 12.715
128 HD23 LEU 21 2HD2 LEU 21 2.144 3.825 13.077
129 H GLY 22 H GLY 22 5.434 3.094 7.534
130 HA2 GLY 22 2HA GLY 22 7.681 2.406 6.683
131 HA3 GLY 22 3HA GLY 22 7.723 1.292 8.040
132 H LEU 23 H LEU 23 5.242 2.106 5.616
133 HA LEU 23 HA LEU 23 5.052 -0.764 4.969
134 HB2 LEU 23 2HB LEU 23 2.890 1.344 4.845
135 HB3 LEU 23 3HB LEU 23 2.701 -0.317 4.325
136 HG LEU 23 HG LEU 23 3.450 0.329 7.166
137 HD11 LEU 23 1HD1 LEU 23 0.660 0.146 6.039
138 HD12 LEU 23 2HD1 LEU 23 1.431 1.608 6.655
139 HD13 LEU 23 3HD1 LEU 23 1.084 0.267 7.746
140 HD21 LEU 23 3HD2 LEU 23 2.513 -1.824 7.643
141 HD22 LEU 23 1HD2 LEU 23 3.643 -2.007 6.302
142 HD23 LEU 23 2HD2 LEU 23 1.907 -1.981 5.995
143 H THR 24 H THR 24 4.742 -1.374 2.817
144 HA THR 24 HA THR 24 5.050 0.693 0.767
145 HB THR 24 HB THR 24 7.334 -0.049 1.211
146 HG1 THR 24 HG1 THR 24 6.889 -1.360 -1.195
147 HG21 THR 24 3HG2 THR 24 6.920 -2.293 2.095
148 HG22 THR 24 1HG2 THR 24 8.067 -2.353 0.757
149 HG23 THR 24 2HG2 THR 24 6.391 -2.836 0.504
150 H CYS 25 H CYS 25 4.449 0.033 -1.370
151 HA CYS 25 HA CYS 25 2.415 -2.066 -1.373
152 HB2 CYS 25 2HB CYS 25 2.977 0.280 -3.185
153 HB3 CYS 25 3HB CYS 25 1.827 -0.978 -3.611
154 H ILE 26 H ILE 26 2.800 -3.978 -2.280
155 HA ILE 26 HA ILE 26 4.848 -4.174 -4.386
156 HB ILE 26 HB ILE 26 4.415 -6.223 -2.189
157 HG12 ILE 26 2HG1 ILE 26 7.006 -4.786 -2.566
158 HG13 ILE 26 3HG1 ILE 26 5.690 -3.905 -1.801
159 HG21 ILE 26 1HG2 ILE 26 5.084 -7.252 -4.313
160 HG22 ILE 26 2HG2 ILE 26 6.372 -7.366 -3.115
161 HG23 ILE 26 3HG2 ILE 26 6.473 -6.168 -4.405
162 HD11 ILE 26 3HD1 ILE 26 6.833 -6.524 -0.853
163 HD12 ILE 26 1HD1 ILE 26 5.539 -5.615 -0.076
164 HD13 ILE 26 2HD1 ILE 26 7.163 -4.937 -0.160
165 HA PRO 27 HA PRO 27 5.302 -5.017 -6.247
166 HB2 PRO 27 2HB PRO 27 3.975 -4.678 -8.788
167 HB3 PRO 27 3HB PRO 27 5.184 -5.889 -8.335
168 HG2 PRO 27 2HG PRO 27 2.570 -6.452 -8.906
169 HG3 PRO 27 3HG PRO 27 3.630 -7.474 -7.916
170 HD2 PRO 27 2HD PRO 27 1.503 -5.572 -7.065
171 HD3 PRO 27 3HD PRO 27 1.978 -7.128 -6.356
172 H GLY 28 H GLY 28 2.132 -3.586 -7.030
173 HA2 GLY 28 2HA GLY 28 1.483 -1.364 -6.658
174 HA3 GLY 28 3HA GLY 28 3.167 -0.930 -6.420
175 H ASN 29 H ASN 29 1.948 -2.730 -9.204
176 HA ASN 29 HA ASN 29 2.008 -0.357 -10.882
177 HB2 ASN 29 2HB ASN 29 3.518 -1.519 -12.567
178 HB3 ASN 29 3HB ASN 29 4.287 -0.905 -11.112
179 HD21 ASN 29 1HD2 ASN 29 5.123 -2.345 -9.615
180 HD22 ASN 29 2HD2 ASN 29 5.358 -4.020 -9.967
181 HA PRO 30 HA PRO 30 0.168 0.242 -10.720
182 HB2 PRO 30 2HB PRO 30 -2.536 0.420 -10.850
183 HB3 PRO 30 3HB PRO 30 -1.482 0.788 -12.225
184 HG2 PRO 30 2HG PRO 30 -3.271 -1.493 -11.819
185 HG3 PRO 30 3HG PRO 30 -2.587 -0.845 -13.317
186 HD2 PRO 30 2HD PRO 30 -1.702 -3.126 -11.811
187 HD3 PRO 30 3HD PRO 30 -1.039 -2.487 -13.326
188 H ASP 31 H ASP 31 -1.533 -2.723 -9.929
189 HA ASP 31 HA ASP 31 -2.362 -1.826 -7.300
190 HB2 ASP 31 2HB ASP 31 -2.617 -4.473 -8.735
191 HB3 ASP 31 3HB ASP 31 -3.190 -4.206 -7.093
192 H GLY 32 H GLY 32 -1.673 -2.690 -5.336
193 HA2 GLY 32 2HA GLY 32 0.627 -4.484 -5.293
194 HA3 GLY 32 3HA GLY 32 0.886 -2.868 -4.659
195 H THR 33 H THR 33 1.424 -4.596 -2.873
196 HA THR 33 HA THR 33 -0.951 -4.795 -1.132
197 HB THR 33 HB THR 33 1.366 -6.656 -0.746
198 HG1 THR 33 HG1 THR 33 0.659 -8.025 -2.306
199 HG21 THR 33 3HG2 THR 33 -1.617 -6.945 -0.335
200 HG22 THR 33 1HG2 THR 33 -0.425 -6.612 0.922
201 HG23 THR 33 2HG2 THR 33 -0.404 -8.158 0.074
202 H CYS 34 H CYS 34 -0.720 -4.112 0.971
203 HA CYS 34 HA CYS 34 1.603 -2.457 1.509
204 HB2 CYS 34 2HB CYS 34 -1.076 -2.790 2.821
205 HB3 CYS 34 3HB CYS 34 0.222 -1.932 3.642
206 H TYR 35 H TYR 35 3.342 -3.340 2.313
207 HA TYR 35 HA TYR 35 3.104 -5.267 4.530
208 HB2 TYR 35 2HB TYR 35 4.880 -5.337 2.112
209 HB3 TYR 35 3HB TYR 35 5.421 -6.078 3.612
210 HD1 TYR 35 HD1 TYR 35 3.852 -7.849 4.670
211 HD2 TYR 35 HD2 TYR 35 3.534 -6.543 0.628
212 HE1 TYR 35 HE1 TYR 35 2.616 -9.898 4.110
213 HE2 TYR 35 HE2 TYR 35 2.295 -8.591 0.064
214 HH TYR 35 HH TYR 35 2.028 -10.878 0.917
215 H TYR 36 H TYR 36 4.927 -5.273 6.028
216 HA TYR 36 HA TYR 36 5.937 -2.570 6.472
217 HB2 TYR 36 2HB TYR 36 4.782 -4.097 8.240
218 HB3 TYR 36 3HB TYR 36 6.352 -4.881 8.348
219 HD1 TYR 36 HD1 TYR 36 4.461 -1.823 9.046
220 HD2 TYR 36 HD2 TYR 36 8.255 -3.727 9.327
221 HE1 TYR 36 HE1 TYR 36 5.205 -0.094 10.628
222 HE2 TYR 36 HE2 TYR 36 9.009 -2.003 10.911
223 HH TYR 36 HH TYR 36 6.884 0.179 12.403
224 H LEU 37 H LEU 37 8.032 -1.990 6.383
225 HA LEU 37 HA LEU 37 9.951 -3.977 5.405
226 HB2 LEU 37 2HB LEU 37 9.906 -0.965 5.313
227 HB3 LEU 37 3HB LEU 37 11.337 -1.890 4.904
228 HG LEU 37 HG LEU 37 8.767 -2.474 3.487
229 HD11 LEU 37 1HD1 LEU 37 9.467 -0.794 1.770
230 HD12 LEU 37 2HD1 LEU 37 10.613 -0.157 2.949
231 HD13 LEU 37 3HD1 LEU 37 8.882 -0.103 3.283
232 HD21 LEU 37 3HD2 LEU 37 10.688 -3.941 3.125
233 HD22 LEU 37 1HD2 LEU 37 11.669 -2.552 2.656
234 HD23 LEU 37 2HD2 LEU 37 10.296 -3.039 1.661
Start of MODEL 2
1 H1 PCA 1 H PCA 1 -10.760 7.342 3.479
2 HA PCA 1 HA PCA 1 -9.245 7.487 5.669
3 HB2 PCA 1 3HB PCA 1 -9.100 5.127 6.079
4 HB3 PCA 1 2HB PCA 1 -7.711 5.199 4.925
5 HG2 PCA 1 3HG PCA 1 -9.556 3.790 4.056
6 HG3 PCA 1 2HG PCA 1 -10.349 4.012 5.637
7 H GLY 2 H GLY 2 -8.910 6.384 2.299
8 HA2 GLY 2 2HA GLY 2 -7.813 7.678 0.622
9 HA3 GLY 2 3HA GLY 2 -6.809 8.394 1.873
10 H CYS 3 H CYS 3 -5.523 6.587 3.127
11 HA CYS 3 HA CYS 3 -4.063 5.082 1.077
12 HB2 CYS 3 2HB CYS 3 -2.224 5.009 2.705
13 HB3 CYS 3 3HB CYS 3 -2.743 6.663 2.400
14 H ALA 4 H ALA 4 -3.353 2.912 1.495
15 HA ALA 4 HA ALA 4 -5.334 1.366 2.976
16 HB1 ALA 4 3HB ALA 4 -4.416 0.928 0.551
17 HB2 ALA 4 1HB ALA 4 -4.819 -0.413 1.624
18 HB3 ALA 4 2HB ALA 4 -3.140 0.084 1.428
19 H PHE 5 H PHE 5 -4.789 -0.291 4.451
20 HA PHE 5 HA PHE 5 -2.334 0.247 5.948
21 HB2 PHE 5 2HB PHE 5 -3.463 -1.146 7.755
22 HB3 PHE 5 3HB PHE 5 -4.217 0.394 7.381
23 HD1 PHE 5 HD1 PHE 5 -4.490 -3.264 6.832
24 HD2 PHE 5 HD2 PHE 5 -6.464 0.506 6.728
25 HE1 PHE 5 HE1 PHE 5 -6.648 -4.405 6.519
26 HE2 PHE 5 HE2 PHE 5 -8.623 -0.629 6.413
27 HZ PHE 5 HZ PHE 5 -8.717 -3.087 6.309
28 H GLU 6 H GLU 6 -1.496 -1.831 7.135
29 HA GLU 6 HA GLU 6 -0.329 -3.510 5.201
30 HB2 GLU 6 2HB GLU 6 0.456 -2.850 7.592
31 HB3 GLU 6 3HB GLU 6 -0.485 -4.238 8.109
32 HG2 GLU 6 2HG GLU 6 0.864 -5.673 6.626
33 HG3 GLU 6 3HG GLU 6 1.839 -4.270 6.193
34 H GLY 7 H GLY 7 -0.879 -5.407 4.344
35 HA2 GLY 7 2HA GLY 7 -1.756 -7.628 4.485
36 HA3 GLY 7 3HA GLY 7 -2.908 -7.068 5.679
37 H GLU 8 H GLU 8 -2.871 -4.836 3.170
38 HA GLU 8 HA GLU 8 -4.938 -6.296 1.676
39 HB2 GLU 8 2HB GLU 8 -6.371 -4.322 1.580
40 HB3 GLU 8 3HB GLU 8 -6.088 -4.804 3.242
41 HG2 GLU 8 2HG GLU 8 -4.768 -2.945 3.688
42 HG3 GLU 8 3HG GLU 8 -4.431 -2.655 1.982
43 H SER 9 H SER 9 -5.604 -4.831 -0.335
44 HA SER 9 HA SER 9 -3.150 -4.476 -1.858
45 HB2 SER 9 2HB SER 9 -4.718 -4.342 -3.816
46 HB3 SER 9 3HB SER 9 -4.827 -5.848 -2.906
47 HG SER 9 HG SER 9 -6.703 -3.892 -3.290
48 H CYS 10 H CYS 10 -2.598 -2.636 -2.983
49 HA CYS 10 HA CYS 10 -4.119 -0.178 -2.473
50 HB2 CYS 10 2HB CYS 10 -1.840 0.961 -2.118
51 HB3 CYS 10 3HB CYS 10 -2.459 -0.026 -0.799
52 H ASN 11 H ASN 11 -4.399 1.002 -4.251
53 HA ASN 11 HA ASN 11 -2.887 0.314 -6.666
54 HB2 ASN 11 2HB ASN 11 -5.596 1.392 -6.130
55 HB3 ASN 11 3HB ASN 11 -4.788 2.009 -7.568
56 HD21 ASN 11 1HD2 ASN 11 -4.159 0.536 -9.191
57 HD22 ASN 11 2HD2 ASN 11 -4.957 -0.987 -9.362
58 H VAL 12 H VAL 12 -1.268 1.541 -7.290
59 HA VAL 12 HA VAL 12 -0.643 4.031 -6.030
60 HB VAL 12 HB VAL 12 1.296 4.121 -7.599
61 HG11 VAL 12 1HG1 VAL 12 1.478 3.006 -5.443
62 HG12 VAL 12 2HG1 VAL 12 2.465 2.194 -6.658
63 HG13 VAL 12 3HG1 VAL 12 0.922 1.496 -6.165
64 HG21 VAL 12 3HG2 VAL 12 0.332 3.007 -9.545
65 HG22 VAL 12 1HG2 VAL 12 0.213 1.497 -8.640
66 HG23 VAL 12 2HG2 VAL 12 1.796 2.177 -9.017
67 H GLN 13 H GLN 13 -3.033 3.652 -8.066
68 HA GLN 13 HA GLN 13 -2.450 5.917 -9.832
69 HB2 GLN 13 2HB GLN 13 -3.414 3.649 -10.623
70 HB3 GLN 13 3HB GLN 13 -4.923 4.200 -9.915
71 HG2 GLN 13 2HG GLN 13 -5.044 6.043 -11.421
72 HG3 GLN 13 3HG GLN 13 -3.417 5.729 -12.024
73 HE21 GLN 13 1HE2 GLN 13 -6.739 4.719 -12.059
74 HE22 GLN 13 2HE2 GLN 13 -6.617 3.657 -13.416
75 H PHE 14 H PHE 14 -4.474 4.940 -7.136
76 HA PHE 14 HA PHE 14 -5.329 7.680 -6.719
77 HB2 PHE 14 2HB PHE 14 -7.788 6.725 -6.428
78 HB3 PHE 14 3HB PHE 14 -7.204 7.271 -7.995
79 HD1 PHE 14 HD1 PHE 14 -8.060 4.342 -5.963
80 HD2 PHE 14 HD2 PHE 14 -6.775 5.730 -9.772
81 HE1 PHE 14 HE1 PHE 14 -8.501 2.118 -6.919
82 HE2 PHE 14 HE2 PHE 14 -7.220 3.514 -10.737
83 HZ PHE 14 HZ PHE 14 -8.070 1.708 -9.307
84 H TYR 15 H TYR 15 -5.049 4.378 -5.575
85 HA TYR 15 HA TYR 15 -5.616 5.348 -2.846
86 HB2 TYR 15 2HB TYR 15 -7.200 3.589 -3.997
87 HB3 TYR 15 3HB TYR 15 -5.937 2.454 -3.542
88 HD1 TYR 15 HD1 TYR 15 -8.483 4.789 -2.268
89 HD2 TYR 15 HD2 TYR 15 -5.613 1.819 -1.246
90 HE1 TYR 15 HE1 TYR 15 -9.448 4.642 -0.011
91 HE2 TYR 15 HE2 TYR 15 -6.572 1.664 1.014
92 HH TYR 15 HH TYR 15 -7.898 3.049 2.551
93 HA PRO 16 HA PRO 16 -1.232 3.867 -2.779
94 HB2 PRO 16 2HB PRO 16 -0.201 5.903 -1.311
95 HB3 PRO 16 3HB PRO 16 -0.459 6.032 -3.060
96 HG2 PRO 16 2HG PRO 16 -2.069 7.152 -0.831
97 HG3 PRO 16 3HG PRO 16 -1.695 7.847 -2.419
98 HD2 PRO 16 2HD PRO 16 -4.082 6.621 -1.763
99 HD3 PRO 16 3HD PRO 16 -3.470 6.831 -3.413
100 H CYS 17 H CYS 17 0.287 3.663 -0.744
101 HA CYS 17 HA CYS 17 -1.293 2.415 1.361
102 HB2 CYS 17 2HB CYS 17 0.768 1.379 0.198
103 HB3 CYS 17 3HB CYS 17 1.714 2.453 1.223
104 H CYS 18 H CYS 18 -0.722 2.743 3.654
105 HA CYS 18 HA CYS 18 -0.563 5.555 4.267
106 HB2 CYS 18 2HB CYS 18 -0.832 3.146 6.075
107 HB3 CYS 18 3HB CYS 18 -0.939 4.819 6.610
108 HA PRO 19 HA PRO 19 3.909 5.153 5.016
109 HB2 PRO 19 2HB PRO 19 4.560 7.742 4.633
110 HB3 PRO 19 3HB PRO 19 4.182 6.666 3.276
111 HG2 PRO 19 2HG PRO 19 2.517 8.778 4.525
112 HG3 PRO 19 3HG PRO 19 2.632 8.283 2.826
113 HD2 PRO 19 2HD PRO 19 0.620 7.522 4.600
114 HD3 PRO 19 3HD PRO 19 1.000 6.727 3.061
115 H GLY 20 H GLY 20 5.481 6.497 6.454
116 HA2 GLY 20 2HA GLY 20 5.800 7.864 8.394
117 HA3 GLY 20 3HA GLY 20 4.117 7.596 8.819
118 H LEU 21 H LEU 21 4.062 4.781 8.519
119 HA LEU 21 HA LEU 21 5.405 4.012 10.984
120 HB2 LEU 21 2HB LEU 21 3.364 2.594 9.272
121 HB3 LEU 21 3HB LEU 21 4.052 1.913 10.731
122 HG LEU 21 HG LEU 21 3.139 4.172 11.793
123 HD11 LEU 21 1HD1 LEU 21 2.334 5.110 9.695
124 HD12 LEU 21 2HD1 LEU 21 0.994 4.803 10.801
125 HD13 LEU 21 3HD1 LEU 21 1.294 3.706 9.453
126 HD21 LEU 21 3HD2 LEU 21 2.535 1.935 12.516
127 HD22 LEU 21 1HD2 LEU 21 1.436 1.769 11.147
128 HD23 LEU 21 2HD2 LEU 21 1.100 2.954 12.408
129 H GLY 22 H GLY 22 5.384 3.119 7.563
130 HA2 GLY 22 2HA GLY 22 7.651 2.503 6.700
131 HA3 GLY 22 3HA GLY 22 7.729 1.385 8.053
132 H LEU 23 H LEU 23 5.192 2.137 5.670
133 HA LEU 23 HA LEU 23 5.068 -0.734 5.013
134 HB2 LEU 23 2HB LEU 23 2.875 1.341 4.873
135 HB3 LEU 23 3HB LEU 23 2.711 -0.326 4.365
136 HG LEU 23 HG LEU 23 3.447 0.352 7.202
137 HD11 LEU 23 1HD1 LEU 23 1.411 1.598 6.680
138 HD12 LEU 23 2HD1 LEU 23 1.081 0.259 7.780
139 HD13 LEU 23 3HD1 LEU 23 0.661 0.121 6.073
140 HD21 LEU 23 3HD2 LEU 23 2.510 -1.812 7.687
141 HD22 LEU 23 1HD2 LEU 23 3.686 -1.982 6.385
142 HD23 LEU 23 2HD2 LEU 23 1.961 -1.991 6.020
143 H THR 24 H THR 24 4.736 -1.350 2.853
144 HA THR 24 HA THR 24 5.041 0.717 0.805
145 HB THR 24 HB THR 24 7.327 -0.015 1.246
146 HG1 THR 24 HG1 THR 24 6.149 -0.796 -1.204
147 HG21 THR 24 3HG2 THR 24 6.394 -2.806 0.542
148 HG22 THR 24 1HG2 THR 24 6.925 -2.260 2.132
149 HG23 THR 24 2HG2 THR 24 8.070 -2.317 0.792
150 H CYS 25 H CYS 25 4.439 0.065 -1.328
151 HA CYS 25 HA CYS 25 2.422 -2.052 -1.343
152 HB2 CYS 25 2HB CYS 25 2.947 0.336 -3.106
153 HB3 CYS 25 3HB CYS 25 1.846 -0.944 -3.592
154 H ILE 26 H ILE 26 2.829 -3.951 -2.265
155 HA ILE 26 HA ILE 26 4.872 -4.106 -4.378
156 HB ILE 26 HB ILE 26 4.474 -6.174 -2.192
157 HG12 ILE 26 2HG1 ILE 26 7.048 -4.709 -2.559
158 HG13 ILE 26 3HG1 ILE 26 5.721 -3.835 -1.804
159 HG21 ILE 26 1HG2 ILE 26 6.447 -7.282 -3.126
160 HG22 ILE 26 2HG2 ILE 26 6.526 -6.076 -4.411
161 HG23 ILE 26 3HG2 ILE 26 5.154 -7.181 -4.322
162 HD11 ILE 26 3HD1 ILE 26 6.840 -6.458 -0.839
163 HD12 ILE 26 1HD1 ILE 26 5.581 -5.503 -0.059
164 HD13 ILE 26 2HD1 ILE 26 7.223 -4.872 -0.170
165 HA PRO 27 HA PRO 27 5.341 -4.947 -6.237
166 HB2 PRO 27 2HB PRO 27 4.014 -4.635 -8.783
167 HB3 PRO 27 3HB PRO 27 5.239 -5.826 -8.324
168 HG2 PRO 27 2HG PRO 27 2.638 -6.433 -8.899
169 HG3 PRO 27 3HG PRO 27 3.708 -7.432 -7.896
170 HD2 PRO 27 2HD PRO 27 1.554 -5.549 -7.069
171 HD3 PRO 27 3HD PRO 27 2.040 -7.097 -6.349
172 H GLY 28 H GLY 28 2.155 -3.563 -7.035
173 HA2 GLY 28 2HA GLY 28 1.473 -1.350 -6.668
174 HA3 GLY 28 3HA GLY 28 3.151 -0.890 -6.432
175 H ASN 29 H ASN 29 1.970 -2.720 -9.211
176 HA ASN 29 HA ASN 29 1.987 -0.352 -10.897
177 HB2 ASN 29 2HB ASN 29 3.524 -1.487 -12.573
178 HB3 ASN 29 3HB ASN 29 4.277 -0.856 -11.117
179 HD21 ASN 29 1HD2 ASN 29 5.125 -2.281 -9.607
180 HD22 ASN 29 2HD2 ASN 29 5.396 -3.951 -9.958
181 HA PRO 30 HA PRO 30 0.135 0.217 -10.755
182 HB2 PRO 30 2HB PRO 30 -2.569 0.349 -10.898
183 HB3 PRO 30 3HB PRO 30 -1.518 0.715 -12.276
184 HG2 PRO 30 2HG PRO 30 -3.262 -1.599 -11.832
185 HG3 PRO 30 3HG PRO 30 -2.609 -0.947 -13.343
186 HD2 PRO 30 2HD PRO 30 -1.659 -3.198 -11.842
187 HD3 PRO 30 3HD PRO 30 -1.010 -2.539 -13.353
188 H ASP 31 H ASP 31 -1.506 -2.776 -9.949
189 HA ASP 31 HA ASP 31 -2.355 -1.876 -7.326
190 HB2 ASP 31 2HB ASP 31 -2.580 -4.530 -8.753
191 HB3 ASP 31 3HB ASP 31 -3.154 -4.266 -7.111
192 H GLY 32 H GLY 32 -1.664 -2.736 -5.361
193 HA2 GLY 32 2HA GLY 32 0.657 -4.501 -5.304
194 HA3 GLY 32 3HA GLY 32 0.899 -2.878 -4.678
195 H THR 33 H THR 33 1.449 -4.561 -2.863
196 HA THR 33 HA THR 33 -0.935 -4.753 -1.134
197 HB THR 33 HB THR 33 1.350 -6.645 -0.729
198 HG1 THR 33 HG1 THR 33 1.000 -7.519 -2.622
199 HG21 THR 33 3HG2 THR 33 -1.641 -6.905 -0.365
200 HG22 THR 33 1HG2 THR 33 -0.471 -6.567 0.911
201 HG23 THR 33 2HG2 THR 33 -0.442 -8.120 0.077
202 H CYS 34 H CYS 34 -0.682 -4.112 0.991
203 HA CYS 34 HA CYS 34 1.658 -2.472 1.521
204 HB2 CYS 34 2HB CYS 34 -1.006 -2.785 2.879
205 HB3 CYS 34 3HB CYS 34 0.312 -1.904 3.644
206 H TYR 35 H TYR 35 3.381 -3.332 2.354
207 HA TYR 35 HA TYR 35 3.134 -5.279 4.553
208 HB2 TYR 35 2HB TYR 35 4.939 -5.323 2.153
209 HB3 TYR 35 3HB TYR 35 5.456 -6.083 3.651
210 HD1 TYR 35 HD2 TYR 35 3.865 -7.863 4.664
211 HD2 TYR 35 HD1 TYR 35 3.617 -6.510 0.632
212 HE1 TYR 35 HE2 TYR 35 2.634 -9.902 4.060
213 HE2 TYR 35 HE1 TYR 35 2.387 -8.550 0.023
214 HH TYR 35 HH TYR 35 2.101 -10.846 0.847
215 H TYR 36 H TYR 36 4.978 -5.293 6.048
216 HA TYR 36 HA TYR 36 5.951 -2.580 6.520
217 HB2 TYR 36 2HB TYR 36 4.811 -4.135 8.274
218 HB3 TYR 36 3HB TYR 36 6.391 -4.902 8.378
219 HD1 TYR 36 HD2 TYR 36 4.485 -1.835 9.052
220 HD2 TYR 36 HD1 TYR 36 8.257 -3.769 9.417
221 HE1 TYR 36 HE2 TYR 36 5.208 -0.112 10.650
222 HE2 TYR 36 HE1 TYR 36 8.990 -2.051 11.016
223 HH TYR 36 HH TYR 36 6.850 0.149 12.460
224 H LEU 37 H LEU 37 8.033 -1.971 6.422
225 HA LEU 37 HA LEU 37 9.980 -3.931 5.443
226 HB2 LEU 37 2HB LEU 37 9.894 -0.920 5.354
227 HB3 LEU 37 3HB LEU 37 11.337 -1.824 4.944
228 HG LEU 37 HG LEU 37 8.773 -2.437 3.527
229 HD11 LEU 37 1HD1 LEU 37 9.461 -0.752 1.808
230 HD12 LEU 37 2HD1 LEU 37 10.599 -0.104 2.989
231 HD13 LEU 37 3HD1 LEU 37 8.867 -0.066 3.320
232 HD21 LEU 37 3HD2 LEU 37 11.675 -2.491 2.696
233 HD22 LEU 37 1HD2 LEU 37 10.307 -2.990 1.701
234 HD23 LEU 37 2HD2 LEU 37 10.706 -3.888 3.165
Start of MODEL 3
1 H1 PCA 1 H PCA 1 -11.670 7.626 4.199
2 HA PCA 1 HA PCA 1 -9.536 6.758 4.802
3 HB2 PCA 1 3HB PCA 1 -10.148 4.440 4.935
4 HB3 PCA 1 2HB PCA 1 -9.327 4.324 3.330
5 HG2 PCA 1 3HG PCA 1 -11.740 3.783 3.169
6 HG3 PCA 1 2HG PCA 1 -11.792 3.894 4.947
7 H GLY 2 H GLY 2 -7.617 7.176 3.751
8 HA2 GLY 2 2HA GLY 2 -7.770 7.709 0.855
9 HA3 GLY 2 3HA GLY 2 -6.670 8.504 1.970
10 H CYS 3 H CYS 3 -5.384 6.629 3.273
11 HA CYS 3 HA CYS 3 -3.978 5.142 1.172
12 HB2 CYS 3 2HB CYS 3 -2.113 5.018 2.771
13 HB3 CYS 3 3HB CYS 3 -2.611 6.682 2.490
14 H ALA 4 H ALA 4 -3.273 2.961 1.553
15 HA ALA 4 HA ALA 4 -5.248 1.407 3.036
16 HB1 ALA 4 3HB ALA 4 -4.257 1.025 0.583
17 HB2 ALA 4 1HB ALA 4 -4.838 -0.298 1.595
18 HB3 ALA 4 2HB ALA 4 -3.112 0.050 1.506
19 H PHE 5 H PHE 5 -4.710 -0.244 4.505
20 HA PHE 5 HA PHE 5 -2.216 0.243 5.956
21 HB2 PHE 5 2HB PHE 5 -3.345 -1.114 7.791
22 HB3 PHE 5 3HB PHE 5 -4.060 0.447 7.428
23 HD1 PHE 5 HD1 PHE 5 -4.454 -3.202 6.868
24 HD2 PHE 5 HD2 PHE 5 -6.319 0.625 6.850
25 HE1 PHE 5 HE1 PHE 5 -6.651 -4.278 6.605
26 HE2 PHE 5 HE2 PHE 5 -8.518 -0.445 6.585
27 HZ PHE 5 HZ PHE 5 -8.686 -2.898 6.463
28 H GLU 6 H GLU 6 -1.375 -1.819 7.124
29 HA GLU 6 HA GLU 6 -0.273 -3.546 5.212
30 HB2 GLU 6 2HB GLU 6 0.473 -2.909 7.643
31 HB3 GLU 6 3HB GLU 6 -0.458 -4.326 8.097
32 HG2 GLU 6 2HG GLU 6 0.927 -5.685 6.571
33 HG3 GLU 6 3HG GLU 6 1.897 -4.256 6.220
34 H GLY 7 H GLY 7 -0.892 -5.406 4.329
35 HA2 GLY 7 2HA GLY 7 -1.827 -7.628 4.555
36 HA3 GLY 7 3HA GLY 7 -3.048 -6.955 5.618
37 H GLU 8 H GLU 8 -3.416 -4.638 3.677
38 HA GLU 8 HA GLU 8 -5.173 -6.115 1.847
39 HB2 GLU 8 2HB GLU 8 -6.515 -4.075 1.670
40 HB3 GLU 8 3HB GLU 8 -6.337 -4.573 3.343
41 HG2 GLU 8 2HG GLU 8 -4.961 -2.774 3.863
42 HG3 GLU 8 3HG GLU 8 -4.528 -2.496 2.176
43 H SER 9 H SER 9 -5.709 -4.626 -0.189
44 HA SER 9 HA SER 9 -3.181 -4.353 -1.617
45 HB2 SER 9 2HB SER 9 -4.662 -4.246 -3.645
46 HB3 SER 9 3HB SER 9 -4.824 -5.733 -2.712
47 HG SER 9 HG SER 9 -6.862 -4.913 -3.255
48 H CYS 10 H CYS 10 -2.680 -2.554 -2.904
49 HA CYS 10 HA CYS 10 -4.146 -0.064 -2.414
50 HB2 CYS 10 2HB CYS 10 -1.836 1.046 -2.106
51 HB3 CYS 10 3HB CYS 10 -2.489 0.133 -0.751
52 H ASN 11 H ASN 11 -4.364 1.133 -4.192
53 HA ASN 11 HA ASN 11 -2.875 0.370 -6.603
54 HB2 ASN 11 2HB ASN 11 -5.562 1.525 -6.088
55 HB3 ASN 11 3HB ASN 11 -4.737 2.075 -7.542
56 HD21 ASN 11 1HD2 ASN 11 -4.168 0.546 -9.129
57 HD22 ASN 11 2HD2 ASN 11 -5.004 -0.961 -9.251
58 H VAL 12 H VAL 12 -1.237 1.573 -7.241
59 HA VAL 12 HA VAL 12 -0.553 4.042 -5.981
60 HB VAL 12 HB VAL 12 1.366 4.110 -7.570
61 HG11 VAL 12 1HG1 VAL 12 1.552 2.956 -5.435
62 HG12 VAL 12 2HG1 VAL 12 2.506 2.144 -6.676
63 HG13 VAL 12 3HG1 VAL 12 0.955 1.470 -6.174
64 HG21 VAL 12 3HG2 VAL 12 0.354 3.049 -9.522
65 HG22 VAL 12 1HG2 VAL 12 0.213 1.528 -8.640
66 HG23 VAL 12 2HG2 VAL 12 1.806 2.179 -9.026
67 H GLN 13 H GLN 13 -2.974 3.724 -8.007
68 HA GLN 13 HA GLN 13 -2.361 6.009 -9.739
69 HB2 GLN 13 2HB GLN 13 -3.443 3.688 -10.441
70 HB3 GLN 13 3HB GLN 13 -4.920 4.474 -9.913
71 HG2 GLN 13 2HG GLN 13 -3.087 5.750 -11.918
72 HG3 GLN 13 3HG GLN 13 -4.320 4.583 -12.389
73 HE21 GLN 13 1HE2 GLN 13 -6.503 5.129 -12.159
74 HE22 GLN 13 2HE2 GLN 13 -7.017 6.770 -11.999
75 H PHE 14 H PHE 14 -4.470 4.978 -7.115
76 HA PHE 14 HA PHE 14 -5.295 7.734 -6.664
77 HB2 PHE 14 2HB PHE 14 -7.745 6.760 -6.358
78 HB3 PHE 14 3HB PHE 14 -7.172 7.309 -7.929
79 HD1 PHE 14 HD1 PHE 14 -7.962 4.365 -5.883
80 HD2 PHE 14 HD2 PHE 14 -6.775 5.781 -9.713
81 HE1 PHE 14 HE1 PHE 14 -8.387 2.136 -6.833
82 HE2 PHE 14 HE2 PHE 14 -7.202 3.557 -10.673
83 HZ PHE 14 HZ PHE 14 -7.997 1.734 -9.229
84 H TYR 15 H TYR 15 -4.987 4.436 -5.511
85 HA TYR 15 HA TYR 15 -5.536 5.416 -2.781
86 HB2 TYR 15 2HB TYR 15 -7.150 3.676 -3.896
87 HB3 TYR 15 3HB TYR 15 -5.886 2.524 -3.488
88 HD1 TYR 15 HD1 TYR 15 -8.356 4.890 -2.108
89 HD2 TYR 15 HD2 TYR 15 -5.540 1.826 -1.221
90 HE1 TYR 15 HE1 TYR 15 -9.271 4.717 0.168
91 HE2 TYR 15 HE2 TYR 15 -6.449 1.645 1.057
92 HH TYR 15 HH TYR 15 -7.702 3.029 2.656
93 HA PRO 16 HA PRO 16 -1.161 3.908 -2.732
94 HB2 PRO 16 2HB PRO 16 -0.115 5.933 -1.258
95 HB3 PRO 16 3HB PRO 16 -0.372 6.067 -3.007
96 HG2 PRO 16 2HG PRO 16 -1.973 7.193 -0.774
97 HG3 PRO 16 3HG PRO 16 -1.596 7.889 -2.361
98 HD2 PRO 16 2HD PRO 16 -3.991 6.680 -1.707
99 HD3 PRO 16 3HD PRO 16 -3.378 6.886 -3.357
100 H CYS 17 H CYS 17 0.351 3.624 -0.729
101 HA CYS 17 HA CYS 17 -1.236 2.416 1.390
102 HB2 CYS 17 2HB CYS 17 0.826 1.373 0.193
103 HB3 CYS 17 3HB CYS 17 1.768 2.389 1.279
104 H CYS 18 H CYS 18 -0.609 2.718 3.685
105 HA CYS 18 HA CYS 18 -0.431 5.526 4.305
106 HB2 CYS 18 2HB CYS 18 -0.690 3.107 6.099
107 HB3 CYS 18 3HB CYS 18 -0.767 4.776 6.653
108 HA PRO 19 HA PRO 19 4.049 5.116 4.985
109 HB2 PRO 19 2HB PRO 19 4.696 7.707 4.607
110 HB3 PRO 19 3HB PRO 19 4.300 6.637 3.250
111 HG2 PRO 19 2HG PRO 19 2.653 8.745 4.529
112 HG3 PRO 19 3HG PRO 19 2.743 8.254 2.827
113 HD2 PRO 19 2HD PRO 19 0.757 7.489 4.629
114 HD3 PRO 19 3HD PRO 19 1.112 6.699 3.081
115 H GLY 20 H GLY 20 5.642 6.459 6.407
116 HA2 GLY 20 2HA GLY 20 6.013 7.785 8.354
117 HA3 GLY 20 3HA GLY 20 4.323 7.575 8.784
118 H LEU 21 H LEU 21 4.147 4.777 8.508
119 HA LEU 21 HA LEU 21 5.491 3.956 10.955
120 HB2 LEU 21 2HB LEU 21 3.367 2.627 9.272
121 HB3 LEU 21 3HB LEU 21 4.049 1.912 10.718
122 HG LEU 21 HG LEU 21 3.250 4.202 11.802
123 HD11 LEU 21 1HD1 LEU 21 1.350 3.828 9.489
124 HD12 LEU 21 2HD1 LEU 21 2.455 5.184 9.719
125 HD13 LEU 21 3HD1 LEU 21 1.121 4.933 10.845
126 HD21 LEU 21 3HD2 LEU 21 1.169 3.072 12.443
127 HD22 LEU 21 1HD2 LEU 21 2.559 1.990 12.525
128 HD23 LEU 21 2HD2 LEU 21 1.434 1.879 11.172
129 H GLY 22 H GLY 22 5.389 3.058 7.536
130 HA2 GLY 22 2HA GLY 22 7.621 2.352 6.650
131 HA3 GLY 22 3HA GLY 22 7.667 1.231 8.002
132 H LEU 23 H LEU 23 5.208 2.098 5.571
133 HA LEU 23 HA LEU 23 4.960 -0.768 4.924
134 HB2 LEU 23 2HB LEU 23 2.814 1.357 4.820
135 HB3 LEU 23 3HB LEU 23 2.608 -0.309 4.324
136 HG LEU 23 HG LEU 23 3.382 0.389 7.149
137 HD11 LEU 23 1HD1 LEU 23 1.023 0.312 7.747
138 HD12 LEU 23 2HD1 LEU 23 0.586 0.140 6.047
139 HD13 LEU 23 3HD1 LEU 23 1.342 1.629 6.618
140 HD21 LEU 23 3HD2 LEU 23 3.605 -1.961 6.346
141 HD22 LEU 23 1HD2 LEU 23 1.872 -1.967 6.022
142 HD23 LEU 23 2HD2 LEU 23 2.462 -1.767 7.673
143 H THR 24 H THR 24 4.678 -1.368 2.777
144 HA THR 24 HA THR 24 4.934 0.710 0.734
145 HB THR 24 HB THR 24 7.236 0.024 1.169
146 HG1 THR 24 HG1 THR 24 7.656 0.015 -0.911
147 HG21 THR 24 3HG2 THR 24 8.027 -2.258 0.711
148 HG22 THR 24 1HG2 THR 24 6.363 -2.783 0.450
149 HG23 THR 24 2HG2 THR 24 6.875 -2.235 2.046
150 H CYS 25 H CYS 25 4.338 0.053 -1.398
151 HA CYS 25 HA CYS 25 2.368 -2.104 -1.416
152 HB2 CYS 25 2HB CYS 25 2.859 0.256 -3.236
153 HB3 CYS 25 3HB CYS 25 1.703 -1.010 -3.611
154 H ILE 26 H ILE 26 2.932 -4.018 -2.224
155 HA ILE 26 HA ILE 26 4.942 -4.116 -4.377
156 HB ILE 26 HB ILE 26 4.588 -6.210 -2.209
157 HG12 ILE 26 2HG1 ILE 26 7.108 -4.637 -2.528
158 HG13 ILE 26 3HG1 ILE 26 5.741 -3.841 -1.757
159 HG21 ILE 26 1HG2 ILE 26 5.331 -7.166 -4.340
160 HG22 ILE 26 2HG2 ILE 26 6.615 -7.232 -3.133
161 HG23 ILE 26 3HG2 ILE 26 6.661 -6.008 -4.402
162 HD11 ILE 26 3HD1 ILE 26 6.982 -6.431 -0.855
163 HD12 ILE 26 1HD1 ILE 26 5.663 -5.571 -0.062
164 HD13 ILE 26 2HD1 ILE 26 7.269 -4.847 -0.136
165 HA PRO 27 HA PRO 27 5.420 -4.913 -6.246
166 HB2 PRO 27 2HB PRO 27 4.072 -4.602 -8.779
167 HB3 PRO 27 3HB PRO 27 5.329 -5.769 -8.343
168 HG2 PRO 27 2HG PRO 27 2.735 -6.428 -8.912
169 HG3 PRO 27 3HG PRO 27 3.841 -7.419 -7.941
170 HD2 PRO 27 2HD PRO 27 1.643 -5.616 -7.051
171 HD3 PRO 27 3HD PRO 27 2.188 -7.161 -6.367
172 H GLY 28 H GLY 28 2.189 -3.607 -6.997
173 HA2 GLY 28 2HA GLY 28 1.446 -1.419 -6.620
174 HA3 GLY 28 3HA GLY 28 3.109 -0.918 -6.361
175 H ASN 29 H ASN 29 1.971 -2.735 -9.168
176 HA ASN 29 HA ASN 29 1.990 -0.346 -10.828
177 HB2 ASN 29 2HB ASN 29 3.506 -1.519 -12.521
178 HB3 ASN 29 3HB ASN 29 4.265 -0.847 -11.087
179 HD21 ASN 29 1HD2 ASN 29 3.455 -3.725 -12.824
180 HD22 ASN 29 2HD2 ASN 29 4.386 -4.821 -11.867
181 HA PRO 30 HA PRO 30 0.137 0.244 -10.680
182 HB2 PRO 30 2HB PRO 30 -2.569 0.378 -10.773
183 HB3 PRO 30 3HB PRO 30 -1.542 0.759 -12.164
184 HG2 PRO 30 2HG PRO 30 -3.277 -1.561 -11.713
185 HG3 PRO 30 3HG PRO 30 -2.654 -0.891 -13.229
186 HD2 PRO 30 2HD PRO 30 -1.676 -3.161 -11.780
187 HD3 PRO 30 3HD PRO 30 -1.048 -2.474 -13.288
188 H ASP 31 H ASP 31 -1.510 -2.748 -9.865
189 HA ASP 31 HA ASP 31 -2.293 -1.857 -7.218
190 HB2 ASP 31 2HB ASP 31 -2.581 -4.493 -8.666
191 HB3 ASP 31 3HB ASP 31 -3.103 -4.248 -7.003
192 H GLY 32 H GLY 32 -1.562 -2.715 -5.275
193 HA2 GLY 32 2HA GLY 32 0.665 -4.577 -5.221
194 HA3 GLY 32 3HA GLY 32 1.058 -2.938 -4.723
195 H THR 33 H THR 33 1.302 -5.177 -3.040
196 HA THR 33 HA THR 33 -0.959 -4.969 -1.180
197 HB THR 33 HB THR 33 1.344 -6.800 -0.645
198 HG1 THR 33 HG1 THR 33 0.159 -8.371 -2.022
199 HG21 THR 33 3HG2 THR 33 -1.651 -7.086 -0.337
200 HG22 THR 33 1HG2 THR 33 -0.511 -6.678 0.946
201 HG23 THR 33 2HG2 THR 33 -0.449 -8.267 0.183
202 H CYS 34 H CYS 34 -0.720 -4.265 0.934
203 HA CYS 34 HA CYS 34 1.581 -2.550 1.408
204 HB2 CYS 34 2HB CYS 34 -1.115 -2.847 2.681
205 HB3 CYS 34 3HB CYS 34 0.170 -2.011 3.544
206 H TYR 35 H TYR 35 3.327 -3.410 2.232
207 HA TYR 35 HA TYR 35 3.095 -5.272 4.506
208 HB2 TYR 35 2HB TYR 35 4.912 -5.381 2.114
209 HB3 TYR 35 3HB TYR 35 5.404 -6.114 3.633
210 HD1 TYR 35 HD1 TYR 35 3.693 -7.813 4.678
211 HD2 TYR 35 HD2 TYR 35 3.696 -6.641 0.582
212 HE1 TYR 35 HE1 TYR 35 2.462 -9.859 4.096
213 HE2 TYR 35 HE2 TYR 35 2.462 -8.686 -0.004
214 HH TYR 35 HH TYR 35 2.089 -10.937 0.903
215 H TYR 36 H TYR 36 4.958 -5.250 5.979
216 HA TYR 36 HA TYR 36 5.925 -2.525 6.389
217 HB2 TYR 36 2HB TYR 36 4.814 -4.026 8.190
218 HB3 TYR 36 3HB TYR 36 6.376 -4.831 8.271
219 HD1 TYR 36 HD2 TYR 36 4.536 -1.750 9.004
220 HD2 TYR 36 HD1 TYR 36 8.313 -3.697 9.207
221 HE1 TYR 36 HE2 TYR 36 5.333 -0.030 10.569
222 HE2 TYR 36 HE1 TYR 36 9.120 -1.982 10.773
223 HH TYR 36 HH TYR 36 8.604 0.342 11.385
224 H LEU 37 H LEU 37 8.021 -1.919 6.320
225 HA LEU 37 HA LEU 37 9.952 -3.872 5.298
226 HB2 LEU 37 2HB LEU 37 9.868 -0.861 5.238
227 HB3 LEU 37 3HB LEU 37 11.311 -1.761 4.813
228 HG LEU 37 HG LEU 37 8.746 -2.376 3.403
229 HD11 LEU 37 1HD1 LEU 37 10.539 -0.015 2.879
230 HD12 LEU 37 2HD1 LEU 37 8.810 0.000 3.227
231 HD13 LEU 37 3HD1 LEU 37 9.397 -0.662 1.702
232 HD21 LEU 37 3HD2 LEU 37 10.276 -2.886 1.561
233 HD22 LEU 37 1HD2 LEU 37 10.695 -3.797 3.013
234 HD23 LEU 37 2HD2 LEU 37 11.644 -2.382 2.555
Start of MODEL 4
1 H1 PCA 1 H PCA 1 -9.110 11.318 3.442
2 HA PCA 1 HA PCA 1 -6.575 10.493 3.413
3 HB2 PCA 1 3HB PCA 1 -6.284 10.366 5.793
4 HB3 PCA 1 2HB PCA 1 -6.985 8.712 5.603
5 HG2 PCA 1 3HG PCA 1 -8.430 10.168 6.995
6 HG3 PCA 1 2HG PCA 1 -7.132 11.387 6.907
7 H GLY 2 H GLY 2 -6.299 8.524 2.379
8 HA2 GLY 2 2HA GLY 2 -8.360 6.476 2.467
9 HA3 GLY 2 3HA GLY 2 -8.170 7.284 0.918
10 H CYS 3 H CYS 3 -5.922 6.055 3.396
11 HA CYS 3 HA CYS 3 -4.376 4.754 1.263
12 HB2 CYS 3 2HB CYS 3 -2.515 4.722 2.867
13 HB3 CYS 3 3HB CYS 3 -3.126 6.355 2.628
14 H ALA 4 H ALA 4 -3.532 2.616 1.603
15 HA ALA 4 HA ALA 4 -5.409 0.908 3.046
16 HB1 ALA 4 3HB ALA 4 -4.255 0.676 0.582
17 HB2 ALA 4 1HB ALA 4 -4.991 -0.651 1.482
18 HB3 ALA 4 2HB ALA 4 -3.249 -0.393 1.559
19 H PHE 5 H PHE 5 -4.784 -0.705 4.504
20 HA PHE 5 HA PHE 5 -2.303 -0.115 5.939
21 HB2 PHE 5 2HB PHE 5 -3.354 -1.544 7.769
22 HB3 PHE 5 3HB PHE 5 -4.139 -0.011 7.429
23 HD1 PHE 5 HD2 PHE 5 -4.378 -3.668 6.834
24 HD2 PHE 5 HD1 PHE 5 -6.408 0.074 6.868
25 HE1 PHE 5 HE2 PHE 5 -6.528 -4.835 6.575
26 HE2 PHE 5 HE1 PHE 5 -8.561 -1.088 6.613
27 HZ PHE 5 HZ PHE 5 -8.623 -3.545 6.465
28 H GLU 6 H GLU 6 -1.335 -2.128 7.071
29 HA GLU 6 HA GLU 6 -0.165 -3.782 5.145
30 HB2 GLU 6 2HB GLU 6 0.558 -3.142 7.577
31 HB3 GLU 6 3HB GLU 6 -0.316 -4.597 8.026
32 HG2 GLU 6 2HG GLU 6 1.122 -5.880 6.462
33 HG3 GLU 6 3HG GLU 6 2.049 -4.410 6.173
34 H GLY 7 H GLY 7 -0.727 -5.627 4.203
35 HA2 GLY 7 2HA GLY 7 -1.539 -7.905 4.398
36 HA3 GLY 7 3HA GLY 7 -2.784 -7.316 5.481
37 H GLU 8 H GLU 8 -3.168 -4.977 3.476
38 HA GLU 8 HA GLU 8 -4.898 -6.524 1.669
39 HB2 GLU 8 2HB GLU 8 -6.346 -4.558 1.515
40 HB3 GLU 8 3HB GLU 8 -6.140 -5.063 3.182
41 HG2 GLU 8 2HG GLU 8 -4.786 -3.215 3.689
42 HG3 GLU 8 3HG GLU 8 -4.507 -2.848 1.988
43 H SER 9 H SER 9 -5.502 -5.082 -0.365
44 HA SER 9 HA SER 9 -2.993 -4.655 -1.784
45 HB2 SER 9 2HB SER 9 -5.840 -4.796 -2.801
46 HB3 SER 9 3HB SER 9 -4.402 -4.668 -3.814
47 HG SER 9 HG SER 9 -5.309 -6.827 -2.267
48 H CYS 10 H CYS 10 -2.453 -2.791 -2.870
49 HA CYS 10 HA CYS 10 -4.106 -0.404 -2.417
50 HB2 CYS 10 2HB CYS 10 -1.885 0.832 -2.028
51 HB3 CYS 10 3HB CYS 10 -2.491 -0.171 -0.716
52 H ASN 11 H ASN 11 -4.387 0.794 -4.182
53 HA ASN 11 HA ASN 11 -2.796 0.188 -6.567
54 HB2 ASN 11 2HB ASN 11 -5.581 1.076 -6.101
55 HB3 ASN 11 3HB ASN 11 -4.780 1.762 -7.512
56 HD21 ASN 11 1HD2 ASN 11 -4.078 0.383 -9.162
57 HD22 ASN 11 2HD2 ASN 11 -4.735 -1.203 -9.351
58 H VAL 12 H VAL 12 -1.251 1.510 -7.169
59 HA VAL 12 HA VAL 12 -0.792 4.018 -5.872
60 HB VAL 12 HB VAL 12 1.178 4.234 -7.367
61 HG11 VAL 12 1HG1 VAL 12 1.327 3.012 -5.249
62 HG12 VAL 12 2HG1 VAL 12 2.428 2.362 -6.464
63 HG13 VAL 12 3HG1 VAL 12 0.927 1.514 -6.092
64 HG21 VAL 12 3HG2 VAL 12 1.807 2.381 -8.854
65 HG22 VAL 12 1HG2 VAL 12 0.319 3.165 -9.386
66 HG23 VAL 12 2HG2 VAL 12 0.248 1.613 -8.552
67 H GLN 13 H GLN 13 -3.129 3.534 -7.946
68 HA GLN 13 HA GLN 13 -2.632 5.887 -9.634
69 HB2 GLN 13 2HB GLN 13 -3.378 3.525 -10.506
70 HB3 GLN 13 3HB GLN 13 -4.971 4.046 -9.988
71 HG2 GLN 13 2HG GLN 13 -4.918 4.603 -12.239
72 HG3 GLN 13 3HG GLN 13 -4.548 6.126 -11.433
73 HE21 GLN 13 1HE2 GLN 13 -2.461 6.960 -11.553
74 HE22 GLN 13 2HE2 GLN 13 -1.315 6.407 -12.722
75 H PHE 14 H PHE 14 -4.714 4.648 -7.096
76 HA PHE 14 HA PHE 14 -5.882 7.292 -6.743
77 HB2 PHE 14 2HB PHE 14 -8.208 6.072 -6.479
78 HB3 PHE 14 3HB PHE 14 -7.649 6.599 -8.061
79 HD1 PHE 14 HD1 PHE 14 -8.223 3.704 -5.889
80 HD2 PHE 14 HD2 PHE 14 -7.010 5.023 -9.744
81 HE1 PHE 14 HE1 PHE 14 -8.399 1.398 -6.726
82 HE2 PHE 14 HE2 PHE 14 -7.186 2.721 -10.593
83 HZ PHE 14 HZ PHE 14 -7.872 0.908 -9.079
84 H TYR 15 H TYR 15 -5.207 4.089 -5.490
85 HA TYR 15 HA TYR 15 -5.877 5.084 -2.797
86 HB2 TYR 15 2HB TYR 15 -7.428 3.276 -3.827
87 HB3 TYR 15 3HB TYR 15 -6.101 2.170 -3.501
88 HD1 TYR 15 HD2 TYR 15 -8.539 4.471 -1.928
89 HD2 TYR 15 HD1 TYR 15 -5.702 1.362 -1.300
90 HE1 TYR 15 HE2 TYR 15 -9.348 4.207 0.379
91 HE2 TYR 15 HE1 TYR 15 -6.507 1.088 1.007
92 HH TYR 15 HH TYR 15 -7.677 2.409 2.719
93 HA PRO 16 HA PRO 16 -1.429 3.831 -2.664
94 HB2 PRO 16 2HB PRO 16 -0.549 5.884 -1.122
95 HB3 PRO 16 3HB PRO 16 -0.780 6.044 -2.873
96 HG2 PRO 16 2HG PRO 16 -2.501 7.001 -0.649
97 HG3 PRO 16 3HG PRO 16 -2.133 7.766 -2.207
98 HD2 PRO 16 2HD PRO 16 -4.459 6.392 -1.655
99 HD3 PRO 16 3HD PRO 16 -3.812 6.668 -3.281
100 H CYS 17 H CYS 17 0.057 3.571 -0.657
101 HA CYS 17 HA CYS 17 -1.485 2.231 1.416
102 HB2 CYS 17 2HB CYS 17 0.612 1.292 0.232
103 HB3 CYS 17 3HB CYS 17 1.521 2.368 1.287
104 H CYS 18 H CYS 18 -0.876 2.502 3.726
105 HA CYS 18 HA CYS 18 -0.864 5.298 4.421
106 HB2 CYS 18 2HB CYS 18 -0.976 2.824 6.157
107 HB3 CYS 18 3HB CYS 18 -1.167 4.472 6.744
108 HA PRO 19 HA PRO 19 3.632 5.126 5.108
109 HB2 PRO 19 2HB PRO 19 4.134 7.755 4.785
110 HB3 PRO 19 3HB PRO 19 3.799 6.694 3.404
111 HG2 PRO 19 2HG PRO 19 2.037 8.681 4.725
112 HG3 PRO 19 3HG PRO 19 2.155 8.232 3.013
113 HD2 PRO 19 2HD PRO 19 0.214 7.320 4.797
114 HD3 PRO 19 3HD PRO 19 0.611 6.587 3.232
115 H GLY 20 H GLY 20 5.144 6.521 6.564
116 HA2 GLY 20 2HA GLY 20 5.424 7.840 8.536
117 HA3 GLY 20 3HA GLY 20 3.754 7.503 8.962
118 H LEU 21 H LEU 21 3.788 4.699 8.614
119 HA LEU 21 HA LEU 21 5.177 3.926 11.051
120 HB2 LEU 21 2HB LEU 21 3.171 2.478 9.322
121 HB3 LEU 21 3HB LEU 21 3.898 1.784 10.757
122 HG LEU 21 HG LEU 21 2.920 3.980 11.888
123 HD11 LEU 21 1HD1 LEU 21 1.066 3.517 9.553
124 HD12 LEU 21 2HD1 LEU 21 2.064 4.947 9.821
125 HD13 LEU 21 3HD1 LEU 21 0.748 4.570 10.933
126 HD21 LEU 21 3HD2 LEU 21 0.927 2.680 12.486
127 HD22 LEU 21 1HD2 LEU 21 2.396 1.706 12.554
128 HD23 LEU 21 2HD2 LEU 21 1.291 1.541 11.190
129 H GLY 22 H GLY 22 5.165 3.100 7.613
130 HA2 GLY 22 2HA GLY 22 7.447 2.586 6.725
131 HA3 GLY 22 3HA GLY 22 7.577 1.448 8.057
132 H LEU 23 H LEU 23 5.031 2.151 5.665
133 HA LEU 23 HA LEU 23 5.012 -0.714 4.968
134 HB2 LEU 23 2HB LEU 23 2.732 1.269 4.879
135 HB3 LEU 23 3HB LEU 23 2.638 -0.390 4.327
136 HG LEU 23 HG LEU 23 3.352 0.242 7.181
137 HD11 LEU 23 1HD1 LEU 23 0.574 -0.070 6.049
138 HD12 LEU 23 2HD1 LEU 23 1.266 1.418 6.696
139 HD13 LEU 23 3HD1 LEU 23 0.992 0.038 7.759
140 HD21 LEU 23 3HD2 LEU 23 3.669 -2.063 6.266
141 HD22 LEU 23 1HD2 LEU 23 1.933 -2.125 5.966
142 HD23 LEU 23 2HD2 LEU 23 2.539 -1.969 7.615
143 H THR 24 H THR 24 4.732 -1.306 2.804
144 HA THR 24 HA THR 24 4.924 0.807 0.790
145 HB THR 24 HB THR 24 7.245 0.188 1.222
146 HG1 THR 24 HG1 THR 24 7.440 0.483 -0.849
147 HG21 THR 24 3HG2 THR 24 6.943 -2.095 2.067
148 HG22 THR 24 1HG2 THR 24 8.111 -2.059 0.745
149 HG23 THR 24 2HG2 THR 24 6.470 -2.635 0.457
150 H CYS 25 H CYS 25 4.356 0.155 -1.356
151 HA CYS 25 HA CYS 25 2.447 -2.057 -1.399
152 HB2 CYS 25 2HB CYS 25 2.873 0.344 -3.176
153 HB3 CYS 25 3HB CYS 25 1.784 -0.965 -3.607
154 H ILE 26 H ILE 26 2.941 -3.926 -2.341
155 HA ILE 26 HA ILE 26 5.005 -3.963 -4.440
156 HB ILE 26 HB ILE 26 4.662 -6.080 -2.293
157 HG12 ILE 26 2HG1 ILE 26 7.184 -4.515 -2.622
158 HG13 ILE 26 3HG1 ILE 26 5.822 -3.709 -1.855
159 HG21 ILE 26 1HG2 ILE 26 6.678 -7.107 -3.228
160 HG22 ILE 26 2HG2 ILE 26 6.726 -5.880 -4.494
161 HG23 ILE 26 3HG2 ILE 26 5.392 -7.032 -4.433
162 HD11 ILE 26 3HD1 ILE 26 7.076 -6.289 -0.939
163 HD12 ILE 26 1HD1 ILE 26 5.735 -5.452 -0.160
164 HD13 ILE 26 2HD1 ILE 26 7.328 -4.699 -0.218
165 HA PRO 27 HA PRO 27 5.521 -4.733 -6.311
166 HB2 PRO 27 2HB PRO 27 4.203 -4.421 -8.863
167 HB3 PRO 27 3HB PRO 27 5.477 -5.567 -8.419
168 HG2 PRO 27 2HG PRO 27 2.914 -6.280 -9.032
169 HG3 PRO 27 3HG PRO 27 4.015 -7.247 -8.031
170 HD2 PRO 27 2HD PRO 27 1.774 -5.467 -7.202
171 HD3 PRO 27 3HD PRO 27 2.308 -7.011 -6.506
172 H GLY 28 H GLY 28 2.287 -3.459 -7.117
173 HA2 GLY 28 2HA GLY 28 1.518 -1.280 -6.717
174 HA3 GLY 28 3HA GLY 28 3.175 -0.763 -6.449
175 H ASN 29 H ASN 29 2.116 -2.594 -9.267
176 HA ASN 29 HA ASN 29 2.098 -0.202 -10.924
177 HB2 ASN 29 2HB ASN 29 3.649 -1.351 -12.603
178 HB3 ASN 29 3HB ASN 29 4.384 -0.666 -11.162
179 HD21 ASN 29 1HD2 ASN 29 3.632 -3.560 -12.901
180 HD22 ASN 29 2HD2 ASN 29 4.574 -4.639 -11.935
181 HA PRO 30 HA PRO 30 0.234 0.340 -10.756
182 HB2 PRO 30 2HB PRO 30 -2.468 0.447 -10.899
183 HB3 PRO 30 3HB PRO 30 -1.423 0.840 -12.274
184 HG2 PRO 30 2HG PRO 30 -3.141 -1.499 -11.851
185 HG3 PRO 30 3HG PRO 30 -2.506 -0.819 -13.357
186 HD2 PRO 30 2HD PRO 30 -1.520 -3.079 -11.896
187 HD3 PRO 30 3HD PRO 30 -0.884 -2.387 -13.399
188 H ASP 31 H ASP 31 -1.361 -2.691 -9.991
189 HA ASP 31 HA ASP 31 -2.157 -1.798 -7.343
190 HB2 ASP 31 2HB ASP 31 -3.120 -4.118 -7.142
191 HB3 ASP 31 3HB ASP 31 -3.795 -3.142 -8.437
192 H GLY 32 H GLY 32 -1.542 -2.819 -5.402
193 HA2 GLY 32 2HA GLY 32 0.726 -4.638 -5.412
194 HA3 GLY 32 3HA GLY 32 1.042 -3.040 -4.757
195 H THR 33 H THR 33 1.574 -4.645 -2.942
196 HA THR 33 HA THR 33 -0.808 -4.929 -1.225
197 HB THR 33 HB THR 33 1.566 -6.702 -0.793
198 HG1 THR 33 HG1 THR 33 1.241 -7.273 -2.868
199 HG21 THR 33 3HG2 THR 33 -0.258 -6.717 0.837
200 HG22 THR 33 1HG2 THR 33 -0.166 -8.265 -0.004
201 HG23 THR 33 2HG2 THR 33 -1.412 -7.097 -0.442
202 H CYS 34 H CYS 34 -0.593 -4.316 0.916
203 HA CYS 34 HA CYS 34 1.636 -2.532 1.464
204 HB2 CYS 34 2HB CYS 34 -1.025 -3.015 2.770
205 HB3 CYS 34 3HB CYS 34 0.228 -2.104 3.603
206 H TYR 35 H TYR 35 3.416 -3.349 2.250
207 HA TYR 35 HA TYR 35 3.273 -5.317 4.440
208 HB2 TYR 35 2HB TYR 35 5.057 -5.251 2.027
209 HB3 TYR 35 3HB TYR 35 5.630 -5.992 3.515
210 HD1 TYR 35 HD2 TYR 35 4.145 -7.858 4.533
211 HD2 TYR 35 HD1 TYR 35 3.784 -6.498 0.513
212 HE1 TYR 35 HE2 TYR 35 3.014 -9.955 3.930
213 HE2 TYR 35 HE1 TYR 35 2.655 -8.596 -0.095
214 HH TYR 35 HH TYR 35 1.476 -10.789 2.206
215 H TYR 36 H TYR 36 5.113 -5.263 5.930
216 HA TYR 36 HA TYR 36 5.970 -2.517 6.434
217 HB2 TYR 36 2HB TYR 36 4.903 -4.132 8.172
218 HB3 TYR 36 3HB TYR 36 6.507 -4.851 8.254
219 HD1 TYR 36 HD2 TYR 36 4.500 -1.877 9.016
220 HD2 TYR 36 HD1 TYR 36 8.355 -3.658 9.274
221 HE1 TYR 36 HE2 TYR 36 5.179 -0.158 10.637
222 HE2 TYR 36 HE1 TYR 36 9.045 -1.944 10.896
223 HH TYR 36 HH TYR 36 8.409 0.342 11.543
224 H LEU 37 H LEU 37 8.033 -1.823 6.368
225 HA LEU 37 HA LEU 37 10.053 -3.677 5.333
226 HB2 LEU 37 2HB LEU 37 9.841 -0.672 5.322
227 HB3 LEU 37 3HB LEU 37 11.326 -1.500 4.898
228 HG LEU 37 HG LEU 37 8.800 -2.194 3.450
229 HD11 LEU 37 1HD1 LEU 37 9.417 -0.434 1.779
230 HD12 LEU 37 2HD1 LEU 37 10.515 0.236 2.985
231 HD13 LEU 37 3HD1 LEU 37 8.781 0.184 3.304
232 HD21 LEU 37 3HD2 LEU 37 10.801 -3.542 3.063
233 HD22 LEU 37 1HD2 LEU 37 11.706 -2.089 2.636
234 HD23 LEU 37 2HD2 LEU 37 10.368 -2.626 1.620
Start of MODEL 5
1 H1 PCA 1 H PCA 1 -7.590 12.106 1.932
2 HA PCA 1 HA PCA 1 -6.369 10.469 3.157
3 HB2 PCA 1 3HB PCA 1 -7.184 11.019 5.347
4 HB3 PCA 1 2HB PCA 1 -8.211 9.549 5.130
5 HG2 PCA 1 3HG PCA 1 -9.581 11.604 5.341
6 HG3 PCA 1 2HG PCA 1 -8.064 12.471 5.693
7 H GLY 2 H GLY 2 -6.285 8.291 2.692
8 HA2 GLY 2 2HA GLY 2 -8.353 6.459 2.533
9 HA3 GLY 2 3HA GLY 2 -8.226 7.174 0.934
10 H CYS 3 H CYS 3 -5.887 6.102 3.401
11 HA CYS 3 HA CYS 3 -4.359 4.746 1.297
12 HB2 CYS 3 2HB CYS 3 -2.506 4.726 2.907
13 HB3 CYS 3 3HB CYS 3 -3.121 6.357 2.664
14 H ALA 4 H ALA 4 -3.524 2.608 1.648
15 HA ALA 4 HA ALA 4 -5.413 0.908 3.080
16 HB1 ALA 4 3HB ALA 4 -3.158 -0.236 1.524
17 HB2 ALA 4 1HB ALA 4 -4.430 0.611 0.640
18 HB3 ALA 4 2HB ALA 4 -4.831 -0.776 1.654
19 H PHE 5 H PHE 5 -4.790 -0.737 4.522
20 HA PHE 5 HA PHE 5 -2.354 -0.123 6.022
21 HB2 PHE 5 2HB PHE 5 -3.414 -1.598 7.805
22 HB3 PHE 5 3HB PHE 5 -4.235 -0.085 7.465
23 HD1 PHE 5 HD2 PHE 5 -4.354 -3.741 6.855
24 HD2 PHE 5 HD1 PHE 5 -6.486 -0.057 6.810
25 HE1 PHE 5 HE2 PHE 5 -6.461 -4.968 6.525
26 HE2 PHE 5 HE1 PHE 5 -8.597 -1.278 6.485
27 HZ PHE 5 HZ PHE 5 -8.585 -3.736 6.341
28 H GLU 6 H GLU 6 -1.419 -2.186 7.160
29 HA GLU 6 HA GLU 6 -0.196 -3.775 5.184
30 HB2 GLU 6 2HB GLU 6 0.569 -3.131 7.590
31 HB3 GLU 6 3HB GLU 6 -0.300 -4.577 8.075
32 HG2 GLU 6 2HG GLU 6 1.109 -5.899 6.535
33 HG3 GLU 6 3HG GLU 6 2.020 -4.438 6.159
34 H GLY 7 H GLY 7 -0.702 -5.655 4.270
35 HA2 GLY 7 2HA GLY 7 -1.480 -7.917 4.363
36 HA3 GLY 7 3HA GLY 7 -2.629 -7.441 5.596
37 H GLU 8 H GLU 8 -2.617 -5.213 3.021
38 HA GLU 8 HA GLU 8 -4.701 -6.688 1.579
39 HB2 GLU 8 2HB GLU 8 -6.199 -4.759 1.531
40 HB3 GLU 8 3HB GLU 8 -5.880 -5.257 3.182
41 HG2 GLU 8 2HG GLU 8 -4.581 -3.371 3.626
42 HG3 GLU 8 3HG GLU 8 -4.338 -3.023 1.915
43 H SER 9 H SER 9 -5.439 -5.230 -0.406
44 HA SER 9 HA SER 9 -3.016 -4.749 -1.948
45 HB2 SER 9 2HB SER 9 -5.914 -4.888 -2.812
46 HB3 SER 9 3HB SER 9 -4.533 -4.733 -3.898
47 HG SER 9 HG SER 9 -4.449 -6.822 -3.829
48 H CYS 10 H CYS 10 -2.475 -2.851 -2.917
49 HA CYS 10 HA CYS 10 -4.149 -0.487 -2.414
50 HB2 CYS 10 2HB CYS 10 -1.947 0.758 -1.989
51 HB3 CYS 10 3HB CYS 10 -2.520 -0.305 -0.710
52 H ASN 11 H ASN 11 -4.447 0.742 -4.157
53 HA ASN 11 HA ASN 11 -2.853 0.197 -6.556
54 HB2 ASN 11 2HB ASN 11 -5.647 1.046 -6.070
55 HB3 ASN 11 3HB ASN 11 -4.855 1.765 -7.469
56 HD21 ASN 11 1HD2 ASN 11 -4.132 0.421 -9.140
57 HD22 ASN 11 2HD2 ASN 11 -4.775 -1.168 -9.359
58 H VAL 12 H VAL 12 -1.322 1.547 -7.133
59 HA VAL 12 HA VAL 12 -0.899 4.041 -5.795
60 HB VAL 12 HB VAL 12 1.077 4.303 -7.274
61 HG11 VAL 12 1HG1 VAL 12 2.344 2.432 -6.391
62 HG12 VAL 12 2HG1 VAL 12 0.851 1.563 -6.037
63 HG13 VAL 12 3HG1 VAL 12 1.231 3.054 -5.173
64 HG21 VAL 12 3HG2 VAL 12 1.739 2.478 -8.782
65 HG22 VAL 12 1HG2 VAL 12 0.246 3.252 -9.313
66 HG23 VAL 12 2HG2 VAL 12 0.188 1.687 -8.502
67 H GLN 13 H GLN 13 -3.240 3.582 -7.838
68 HA GLN 13 HA GLN 13 -2.766 5.952 -9.513
69 HB2 GLN 13 2HB GLN 13 -3.478 3.598 -10.422
70 HB3 GLN 13 3HB GLN 13 -5.077 4.078 -9.883
71 HG2 GLN 13 2HG GLN 13 -5.057 4.677 -12.122
72 HG3 GLN 13 3HG GLN 13 -4.702 6.192 -11.295
73 HE21 GLN 13 1HE2 GLN 13 -3.437 3.641 -13.286
74 HE22 GLN 13 2HE2 GLN 13 -1.983 4.448 -13.754
75 H PHE 14 H PHE 14 -4.840 4.640 -7.004
76 HA PHE 14 HA PHE 14 -6.042 7.264 -6.608
77 HB2 PHE 14 2HB PHE 14 -8.344 5.995 -6.343
78 HB3 PHE 14 3HB PHE 14 -7.805 6.555 -7.921
79 HD1 PHE 14 HD2 PHE 14 -8.318 3.622 -5.787
80 HD2 PHE 14 HD1 PHE 14 -7.137 5.011 -9.628
81 HE1 PHE 14 HE2 PHE 14 -8.459 1.325 -6.654
82 HE2 PHE 14 HE1 PHE 14 -7.272 2.717 -10.504
83 HZ PHE 14 HZ PHE 14 -7.925 0.874 -9.013
84 H TYR 15 H TYR 15 -5.302 4.059 -5.397
85 HA TYR 15 HA TYR 15 -5.957 5.015 -2.686
86 HB2 TYR 15 2HB TYR 15 -7.482 3.180 -3.749
87 HB3 TYR 15 3HB TYR 15 -6.144 2.101 -3.380
88 HD1 TYR 15 HD2 TYR 15 -8.616 4.420 -1.875
89 HD2 TYR 15 HD1 TYR 15 -5.805 1.302 -1.173
90 HE1 TYR 15 HE2 TYR 15 -9.464 4.180 0.420
91 HE2 TYR 15 HE1 TYR 15 -6.651 1.052 1.122
92 HH TYR 15 HH TYR 15 -7.842 2.392 2.803
93 HA PRO 16 HA PRO 16 -1.497 3.806 -2.619
94 HB2 PRO 16 2HB PRO 16 -0.615 5.861 -1.081
95 HB3 PRO 16 3HB PRO 16 -0.875 6.027 -2.827
96 HG2 PRO 16 2HG PRO 16 -2.570 6.957 -0.572
97 HG3 PRO 16 3HG PRO 16 -2.235 7.731 -2.132
98 HD2 PRO 16 2HD PRO 16 -4.537 6.328 -1.546
99 HD3 PRO 16 3HD PRO 16 -3.923 6.624 -3.181
100 H CYS 17 H CYS 17 0.026 3.604 -0.606
101 HA CYS 17 HA CYS 17 -1.478 2.221 1.472
102 HB2 CYS 17 2HB CYS 17 0.616 1.311 0.258
103 HB3 CYS 17 3HB CYS 17 1.524 2.391 1.310
104 H CYS 18 H CYS 18 -0.885 2.504 3.770
105 HA CYS 18 HA CYS 18 -0.851 5.301 4.465
106 HB2 CYS 18 2HB CYS 18 -0.977 2.835 6.210
107 HB3 CYS 18 3HB CYS 18 -1.172 4.486 6.785
108 HA PRO 19 HA PRO 19 3.643 5.087 5.158
109 HB2 PRO 19 2HB PRO 19 4.172 7.711 4.835
110 HB3 PRO 19 3HB PRO 19 3.827 6.653 3.454
111 HG2 PRO 19 2HG PRO 19 2.083 8.656 4.776
112 HG3 PRO 19 3HG PRO 19 2.199 8.210 3.063
113 HD2 PRO 19 2HD PRO 19 0.246 7.313 4.840
114 HD3 PRO 19 3HD PRO 19 0.641 6.577 3.276
115 H GLY 20 H GLY 20 5.167 6.464 6.616
116 HA2 GLY 20 2HA GLY 20 5.446 7.793 8.587
117 HA3 GLY 20 3HA GLY 20 3.780 7.444 9.019
118 H LEU 21 H LEU 21 3.832 4.640 8.661
119 HA LEU 21 HA LEU 21 5.232 3.872 11.094
120 HB2 LEU 21 2HB LEU 21 3.235 2.411 9.366
121 HB3 LEU 21 3HB LEU 21 3.967 1.723 10.801
122 HG LEU 21 HG LEU 21 2.972 3.914 11.929
123 HD11 LEU 21 1HD1 LEU 21 1.125 3.433 9.594
124 HD12 LEU 21 2HD1 LEU 21 2.106 4.873 9.866
125 HD13 LEU 21 3HD1 LEU 21 0.792 4.479 10.974
126 HD21 LEU 21 3HD2 LEU 21 2.468 1.636 12.600
127 HD22 LEU 21 1HD2 LEU 21 1.362 1.460 11.237
128 HD23 LEU 21 2HD2 LEU 21 0.992 2.599 12.532
129 H GLY 22 H GLY 22 5.215 3.047 7.654
130 HA2 GLY 22 2HA GLY 22 7.502 2.551 6.763
131 HA3 GLY 22 3HA GLY 22 7.635 1.405 8.089
132 H LEU 23 H LEU 23 5.058 2.108 5.734
133 HA LEU 23 HA LEU 23 5.047 -0.750 5.011
134 HB2 LEU 23 2HB LEU 23 2.770 1.237 4.923
135 HB3 LEU 23 3HB LEU 23 2.673 -0.426 4.383
136 HG LEU 23 HG LEU 23 3.390 0.230 7.230
137 HD11 LEU 23 1HD1 LEU 23 1.298 1.394 6.732
138 HD12 LEU 23 2HD1 LEU 23 1.033 0.026 7.813
139 HD13 LEU 23 3HD1 LEU 23 0.612 -0.105 6.105
140 HD21 LEU 23 3HD2 LEU 23 3.724 -2.078 6.360
141 HD22 LEU 23 1HD2 LEU 23 1.997 -2.153 6.016
142 HD23 LEU 23 2HD2 LEU 23 2.559 -1.981 7.679
143 H THR 24 H THR 24 4.734 -1.329 2.838
144 HA THR 24 HA THR 24 4.942 0.796 0.838
145 HB THR 24 HB THR 24 7.261 0.162 1.261
146 HG1 THR 24 HG1 THR 24 7.297 -1.036 -1.096
147 HG21 THR 24 3HG2 THR 24 6.956 -2.124 2.091
148 HG22 THR 24 1HG2 THR 24 8.113 -2.088 0.760
149 HG23 THR 24 2HG2 THR 24 6.466 -2.653 0.483
150 H CYS 25 H CYS 25 4.356 0.173 -1.303
151 HA CYS 25 HA CYS 25 2.450 -2.042 -1.369
152 HB2 CYS 25 2HB CYS 25 2.850 0.409 -3.078
153 HB3 CYS 25 3HB CYS 25 1.803 -0.908 -3.580
154 H ILE 26 H ILE 26 2.945 -3.893 -2.347
155 HA ILE 26 HA ILE 26 5.002 -3.888 -4.452
156 HB ILE 26 HB ILE 26 4.679 -6.036 -2.331
157 HG12 ILE 26 2HG1 ILE 26 7.194 -4.462 -2.642
158 HG13 ILE 26 3HG1 ILE 26 5.829 -3.657 -1.878
159 HG21 ILE 26 1HG2 ILE 26 6.698 -7.037 -3.284
160 HG22 ILE 26 2HG2 ILE 26 6.737 -5.793 -4.533
161 HG23 ILE 26 3HG2 ILE 26 5.410 -6.954 -4.486
162 HD11 ILE 26 3HD1 ILE 26 5.741 -5.359 -0.169
163 HD12 ILE 26 1HD1 ILE 26 7.364 -4.679 -0.260
164 HD13 ILE 26 2HD1 ILE 26 7.030 -6.262 -0.963
165 HA PRO 27 HA PRO 27 5.523 -4.639 -6.329
166 HB2 PRO 27 2HB PRO 27 4.202 -4.310 -8.879
167 HB3 PRO 27 3HB PRO 27 5.485 -5.451 -8.446
168 HG2 PRO 27 2HG PRO 27 2.930 -6.181 -9.065
169 HG3 PRO 27 3HG PRO 27 4.035 -7.145 -8.066
170 HD2 PRO 27 2HD PRO 27 1.783 -5.381 -7.233
171 HD3 PRO 27 3HD PRO 27 2.318 -6.929 -6.548
172 H GLY 28 H GLY 28 2.282 -3.378 -7.123
173 HA2 GLY 28 2HA GLY 28 1.496 -1.209 -6.702
174 HA3 GLY 28 3HA GLY 28 3.149 -0.682 -6.426
175 H ASN 29 H ASN 29 2.128 -2.494 -9.266
176 HA ASN 29 HA ASN 29 2.084 -0.083 -10.897
177 HB2 ASN 29 2HB ASN 29 3.654 -1.192 -12.582
178 HB3 ASN 29 3HB ASN 29 4.377 -0.523 -11.127
179 HD21 ASN 29 1HD2 ASN 29 3.665 -3.394 -12.919
180 HD22 ASN 29 2HD2 ASN 29 4.609 -4.480 -11.964
181 HA PRO 30 HA PRO 30 0.214 0.435 -10.722
182 HB2 PRO 30 2HB PRO 30 -2.487 0.519 -10.874
183 HB3 PRO 30 3HB PRO 30 -1.441 0.935 -12.242
184 HG2 PRO 30 2HG PRO 30 -3.137 -1.425 -11.847
185 HG3 PRO 30 3HG PRO 30 -2.508 -0.721 -13.344
186 HD2 PRO 30 2HD PRO 30 -1.500 -2.987 -11.910
187 HD3 PRO 30 3HD PRO 30 -0.869 -2.270 -13.403
188 H ASP 31 H ASP 31 -1.346 -2.623 -10.000
189 HA ASP 31 HA ASP 31 -2.154 -1.768 -7.340
190 HB2 ASP 31 2HB ASP 31 -3.113 -4.093 -7.175
191 HB3 ASP 31 3HB ASP 31 -3.790 -3.097 -8.455
192 H GLY 32 H GLY 32 -1.542 -2.822 -5.417
193 HA2 GLY 32 2HA GLY 32 0.716 -4.648 -5.440
194 HA3 GLY 32 3HA GLY 32 1.049 -3.056 -4.780
195 H THR 33 H THR 33 1.573 -4.598 -2.942
196 HA THR 33 HA THR 33 -0.815 -4.872 -1.232
197 HB THR 33 HB THR 33 1.512 -6.696 -0.785
198 HG1 THR 33 HG1 THR 33 0.341 -8.213 -2.240
199 HG21 THR 33 3HG2 THR 33 -0.257 -8.226 -0.031
200 HG22 THR 33 1HG2 THR 33 -1.478 -7.043 -0.502
201 HG23 THR 33 2HG2 THR 33 -0.352 -6.675 0.803
202 H CYS 34 H CYS 34 -0.564 -4.311 0.933
203 HA CYS 34 HA CYS 34 1.696 -2.560 1.474
204 HB2 CYS 34 2HB CYS 34 -0.952 -3.008 2.825
205 HB3 CYS 34 3HB CYS 34 0.328 -2.092 3.612
206 H TYR 35 H TYR 35 3.458 -3.371 2.281
207 HA TYR 35 HA TYR 35 3.296 -5.361 4.450
208 HB2 TYR 35 2HB TYR 35 5.100 -5.290 2.048
209 HB3 TYR 35 3HB TYR 35 5.640 -6.064 3.531
210 HD1 TYR 35 HD1 TYR 35 4.090 -7.911 4.504
211 HD2 TYR 35 HD2 TYR 35 3.846 -6.500 0.493
212 HE1 TYR 35 HE1 TYR 35 2.936 -9.980 3.851
213 HE2 TYR 35 HE2 TYR 35 2.688 -8.567 -0.164
214 HH TYR 35 HH TYR 35 2.469 -10.885 0.616
215 H TYR 36 H TYR 36 5.155 -5.332 5.932
216 HA TYR 36 HA TYR 36 6.013 -2.590 6.458
217 HB2 TYR 36 2HB TYR 36 4.955 -4.231 8.184
218 HB3 TYR 36 3HB TYR 36 6.567 -4.931 8.259
219 HD1 TYR 36 HD1 TYR 36 4.536 -1.967 9.017
220 HD2 TYR 36 HD2 TYR 36 8.392 -3.742 9.309
221 HE1 TYR 36 HE1 TYR 36 5.197 -0.252 10.650
222 HE2 TYR 36 HE2 TYR 36 9.062 -2.032 10.943
223 HH TYR 36 HH TYR 36 6.841 0.037 12.455
224 H LEU 37 H LEU 37 8.073 -1.893 6.388
225 HA LEU 37 HA LEU 37 10.092 -3.739 5.336
226 HB2 LEU 37 2HB LEU 37 9.879 -0.733 5.339
227 HB3 LEU 37 3HB LEU 37 11.359 -1.562 4.899
228 HG LEU 37 HG LEU 37 8.820 -2.242 3.468
229 HD11 LEU 37 1HD1 LEU 37 8.809 0.136 3.332
230 HD12 LEU 37 2HD1 LEU 37 9.431 -0.478 1.800
231 HD13 LEU 37 3HD1 LEU 37 10.540 0.183 3.000
232 HD21 LEU 37 3HD2 LEU 37 10.813 -3.596 3.060
233 HD22 LEU 37 1HD2 LEU 37 11.719 -2.145 2.632
234 HD23 LEU 37 2HD2 LEU 37 10.372 -2.673 1.624
Start of MODEL 6
1 H1 PCA 1 H PCA 1 -11.681 7.540 4.395
2 HA PCA 1 HA PCA 1 -9.498 6.785 4.975
3 HB2 PCA 1 3HB PCA 1 -10.010 4.454 5.227
4 HB3 PCA 1 2HB PCA 1 -9.229 4.298 3.606
5 HG2 PCA 1 3HG PCA 1 -11.622 3.654 3.539
6 HG3 PCA 1 2HG PCA 1 -11.629 3.844 5.312
7 H GLY 2 H GLY 2 -7.627 7.231 3.851
8 HA2 GLY 2 2HA GLY 2 -7.885 7.658 0.947
9 HA3 GLY 2 3HA GLY 2 -6.757 8.499 2.000
10 H CYS 3 H CYS 3 -5.424 6.641 3.316
11 HA CYS 3 HA CYS 3 -4.032 5.165 1.201
12 HB2 CYS 3 2HB CYS 3 -2.155 5.045 2.787
13 HB3 CYS 3 3HB CYS 3 -2.668 6.707 2.520
14 H ALA 4 H ALA 4 -3.304 2.986 1.567
15 HA ALA 4 HA ALA 4 -5.262 1.409 3.046
16 HB1 ALA 4 3HB ALA 4 -4.165 1.067 0.586
17 HB2 ALA 4 1HB ALA 4 -4.909 -0.222 1.534
18 HB3 ALA 4 2HB ALA 4 -3.160 -0.005 1.562
19 H PHE 5 H PHE 5 -4.722 -0.218 4.526
20 HA PHE 5 HA PHE 5 -2.215 0.265 5.957
21 HB2 PHE 5 2HB PHE 5 -3.340 -1.078 7.807
22 HB3 PHE 5 3HB PHE 5 -4.046 0.487 7.441
23 HD1 PHE 5 HD1 PHE 5 -4.471 -3.162 6.909
24 HD2 PHE 5 HD2 PHE 5 -6.306 0.679 6.871
25 HE1 PHE 5 HE1 PHE 5 -6.678 -4.222 6.666
26 HE2 PHE 5 HE2 PHE 5 -8.515 -0.375 6.626
27 HZ PHE 5 HZ PHE 5 -8.703 -2.828 6.524
28 H GLU 6 H GLU 6 -1.354 -1.777 7.120
29 HA GLU 6 HA GLU 6 -0.276 -3.523 5.219
30 HB2 GLU 6 2HB GLU 6 0.493 -2.874 7.634
31 HB3 GLU 6 3HB GLU 6 -0.454 -4.271 8.117
32 HG2 GLU 6 2HG GLU 6 0.904 -5.664 6.580
33 HG3 GLU 6 3HG GLU 6 1.904 -4.251 6.246
34 H GLY 7 H GLY 7 -0.937 -5.355 4.316
35 HA2 GLY 7 2HA GLY 7 -1.863 -7.584 4.558
36 HA3 GLY 7 3HA GLY 7 -3.071 -6.912 5.636
37 H GLU 8 H GLU 8 -3.343 -4.595 3.587
38 HA GLU 8 HA GLU 8 -5.163 -6.084 1.820
39 HB2 GLU 8 2HB GLU 8 -6.503 -4.047 1.630
40 HB3 GLU 8 3HB GLU 8 -6.314 -4.524 3.308
41 HG2 GLU 8 2HG GLU 8 -4.870 -2.738 3.770
42 HG3 GLU 8 3HG GLU 8 -4.561 -2.435 2.061
43 H SER 9 H SER 9 -5.700 -4.653 -0.241
44 HA SER 9 HA SER 9 -3.181 -4.395 -1.682
45 HB2 SER 9 2HB SER 9 -6.038 -4.397 -2.681
46 HB3 SER 9 3HB SER 9 -4.601 -4.371 -3.704
47 HG SER 9 HG SER 9 -4.435 -6.442 -3.449
48 H CYS 10 H CYS 10 -2.535 -2.585 -2.793
49 HA CYS 10 HA CYS 10 -4.054 -0.102 -2.386
50 HB2 CYS 10 2HB CYS 10 -1.769 1.017 -2.021
51 HB3 CYS 10 3HB CYS 10 -2.421 0.066 -0.692
52 H ASN 11 H ASN 11 -4.289 1.061 -4.177
53 HA ASN 11 HA ASN 11 -2.733 0.337 -6.553
54 HB2 ASN 11 2HB ASN 11 -5.472 1.362 -6.096
55 HB3 ASN 11 3HB ASN 11 -4.644 1.989 -7.519
56 HD21 ASN 11 1HD2 ASN 11 -4.021 0.562 -9.154
57 HD22 ASN 11 2HD2 ASN 11 -4.747 -0.997 -9.318
58 H VAL 12 H VAL 12 -1.130 1.574 -7.184
59 HA VAL 12 HA VAL 12 -0.544 4.077 -5.930
60 HB VAL 12 HB VAL 12 1.425 4.175 -7.437
61 HG11 VAL 12 1HG1 VAL 12 2.587 2.258 -6.512
62 HG12 VAL 12 2HG1 VAL 12 1.048 1.488 -6.124
63 HG13 VAL 12 3HG1 VAL 12 1.523 2.976 -5.302
64 HG21 VAL 12 3HG2 VAL 12 1.955 2.272 -8.900
65 HG22 VAL 12 1HG2 VAL 12 0.505 3.121 -9.437
66 HG23 VAL 12 2HG2 VAL 12 0.363 1.586 -8.580
67 H GLN 13 H GLN 13 -2.912 3.674 -7.989
68 HA GLN 13 HA GLN 13 -2.314 5.979 -9.710
69 HB2 GLN 13 2HB GLN 13 -3.169 3.643 -10.548
70 HB3 GLN 13 3HB GLN 13 -4.735 4.242 -10.032
71 HG2 GLN 13 2HG GLN 13 -4.671 4.772 -12.287
72 HG3 GLN 13 3HG GLN 13 -4.218 6.284 -11.505
73 HE21 GLN 13 1HE2 GLN 13 -3.120 3.595 -13.411
74 HE22 GLN 13 2HE2 GLN 13 -1.615 4.289 -13.898
75 H PHE 14 H PHE 14 -4.450 4.866 -7.156
76 HA PHE 14 HA PHE 14 -5.493 7.566 -6.833
77 HB2 PHE 14 2HB PHE 14 -7.871 6.455 -6.548
78 HB3 PHE 14 3HB PHE 14 -7.293 6.936 -8.138
79 HD1 PHE 14 HD2 PHE 14 -7.990 4.099 -5.926
80 HD2 PHE 14 HD1 PHE 14 -6.728 5.309 -9.801
81 HE1 PHE 14 HE2 PHE 14 -8.275 1.792 -6.732
82 HE2 PHE 14 HE1 PHE 14 -7.006 3.005 -10.617
83 HZ PHE 14 HZ PHE 14 -7.771 1.246 -9.078
84 H TYR 15 H TYR 15 -4.959 4.354 -5.539
85 HA TYR 15 HA TYR 15 -5.582 5.410 -2.857
86 HB2 TYR 15 2HB TYR 15 -7.190 3.636 -3.879
87 HB3 TYR 15 3HB TYR 15 -5.906 2.495 -3.506
88 HD1 TYR 15 HD2 TYR 15 -8.303 4.899 -2.036
89 HD2 TYR 15 HD1 TYR 15 -5.546 1.749 -1.272
90 HE1 TYR 15 HE2 TYR 15 -9.152 4.722 0.264
91 HE2 TYR 15 HE1 TYR 15 -6.392 1.563 1.029
92 HH TYR 15 HH TYR 15 -9.257 3.048 2.064
93 HA PRO 16 HA PRO 16 -1.182 3.990 -2.726
94 HB2 PRO 16 2HB PRO 16 -0.212 6.034 -1.228
95 HB3 PRO 16 3HB PRO 16 -0.447 6.170 -2.980
96 HG2 PRO 16 2HG PRO 16 -2.115 7.238 -0.767
97 HG3 PRO 16 3HG PRO 16 -1.726 7.957 -2.341
98 HD2 PRO 16 2HD PRO 16 -4.101 6.687 -1.748
99 HD3 PRO 16 3HD PRO 16 -3.455 6.907 -3.384
100 H CYS 17 H CYS 17 0.301 3.685 -0.735
101 HA CYS 17 HA CYS 17 -1.283 2.466 1.381
102 HB2 CYS 17 2HB CYS 17 0.747 1.397 0.189
103 HB3 CYS 17 3HB CYS 17 1.724 2.441 1.216
104 H CYS 18 H CYS 18 -0.639 2.750 3.677
105 HA CYS 18 HA CYS 18 -0.463 5.554 4.316
106 HB2 CYS 18 2HB CYS 18 -0.699 3.123 6.098
107 HB3 CYS 18 3HB CYS 18 -0.784 4.789 6.660
108 HA PRO 19 HA PRO 19 4.023 5.147 4.966
109 HB2 PRO 19 2HB PRO 19 4.665 7.739 4.590
110 HB3 PRO 19 3HB PRO 19 4.259 6.673 3.232
111 HG2 PRO 19 2HG PRO 19 2.621 8.777 4.531
112 HG3 PRO 19 3HG PRO 19 2.698 8.291 2.827
113 HD2 PRO 19 2HD PRO 19 0.727 7.519 4.645
114 HD3 PRO 19 3HD PRO 19 1.068 6.738 3.090
115 H GLY 20 H GLY 20 5.623 6.485 6.383
116 HA2 GLY 20 2HA GLY 20 6.003 7.809 8.330
117 HA3 GLY 20 3HA GLY 20 4.317 7.594 8.770
118 H LEU 21 H LEU 21 4.171 4.783 8.466
119 HA LEU 21 HA LEU 21 5.503 3.967 10.921
120 HB2 LEU 21 2HB LEU 21 3.424 2.608 9.204
121 HB3 LEU 21 3HB LEU 21 4.095 1.905 10.662
122 HG LEU 21 HG LEU 21 2.820 4.601 10.844
123 HD11 LEU 21 1HD1 LEU 21 0.631 3.556 11.193
124 HD12 LEU 21 2HD1 LEU 21 1.304 1.998 10.716
125 HD13 LEU 21 3HD1 LEU 21 1.217 3.316 9.547
126 HD21 LEU 21 3HD2 LEU 21 2.926 2.211 12.686
127 HD22 LEU 21 1HD2 LEU 21 2.204 3.775 13.064
128 HD23 LEU 21 2HD2 LEU 21 3.942 3.649 12.794
129 H GLY 22 H GLY 22 5.460 3.097 7.496
130 HA2 GLY 22 2HA GLY 22 7.700 2.426 6.619
131 HA3 GLY 22 3HA GLY 22 7.766 1.310 7.974
132 H LEU 23 H LEU 23 5.245 2.107 5.587
133 HA LEU 23 HA LEU 23 5.062 -0.764 4.944
134 HB2 LEU 23 2HB LEU 23 2.902 1.345 4.812
135 HB3 LEU 23 3HB LEU 23 2.710 -0.319 4.304
136 HG LEU 23 HG LEU 23 3.468 0.345 7.138
137 HD11 LEU 23 1HD1 LEU 23 1.453 1.627 6.629
138 HD12 LEU 23 2HD1 LEU 23 1.101 0.290 7.724
139 HD13 LEU 23 3HD1 LEU 23 0.675 0.167 6.017
140 HD21 LEU 23 3HD2 LEU 23 1.910 -1.967 5.990
141 HD22 LEU 23 1HD2 LEU 23 2.530 -1.803 7.633
142 HD23 LEU 23 2HD2 LEU 23 3.649 -1.998 6.284
143 H THR 24 H THR 24 4.746 -1.386 2.796
144 HA THR 24 HA THR 24 5.051 0.668 0.734
145 HB THR 24 HB THR 24 7.334 -0.074 1.174
146 HG1 THR 24 HG1 THR 24 7.006 -1.406 -1.201
147 HG21 THR 24 3HG2 THR 24 6.398 -2.865 0.474
148 HG22 THR 24 1HG2 THR 24 6.901 -2.317 2.073
149 HG23 THR 24 2HG2 THR 24 8.069 -2.376 0.753
150 H CYS 25 H CYS 25 4.426 0.008 -1.391
151 HA CYS 25 HA CYS 25 2.399 -2.096 -1.375
152 HB2 CYS 25 2HB CYS 25 2.946 0.237 -3.209
153 HB3 CYS 25 3HB CYS 25 1.782 -1.017 -3.603
154 H ILE 26 H ILE 26 2.782 -4.010 -2.277
155 HA ILE 26 HA ILE 26 4.835 -4.210 -4.379
156 HB ILE 26 HB ILE 26 4.361 -6.258 -2.189
157 HG12 ILE 26 2HG1 ILE 26 6.977 -4.868 -2.564
158 HG13 ILE 26 3HG1 ILE 26 5.675 -3.960 -1.807
159 HG21 ILE 26 1HG2 ILE 26 6.423 -6.245 -4.401
160 HG22 ILE 26 2HG2 ILE 26 5.016 -7.304 -4.309
161 HG23 ILE 26 3HG2 ILE 26 6.299 -7.438 -3.108
162 HD11 ILE 26 3HD1 ILE 26 5.485 -5.673 -0.081
163 HD12 ILE 26 1HD1 ILE 26 7.114 -5.002 -0.150
164 HD13 ILE 26 2HD1 ILE 26 6.783 -6.589 -0.845
165 HA PRO 27 HA PRO 27 5.298 -5.035 -6.242
166 HB2 PRO 27 2HB PRO 27 3.990 -4.665 -8.792
167 HB3 PRO 27 3HB PRO 27 5.196 -5.881 -8.343
168 HG2 PRO 27 2HG PRO 27 2.593 -6.447 -8.938
169 HG3 PRO 27 3HG PRO 27 3.638 -7.467 -7.930
170 HD2 PRO 27 2HD PRO 27 1.510 -5.549 -7.113
171 HD3 PRO 27 3HD PRO 27 1.955 -7.114 -6.403
172 H GLY 28 H GLY 28 2.149 -3.567 -7.057
173 HA2 GLY 28 2HA GLY 28 1.522 -1.340 -6.659
174 HA3 GLY 28 3HA GLY 28 3.211 -0.926 -6.416
175 H ASN 29 H ASN 29 2.043 -2.719 -9.211
176 HA ASN 29 HA ASN 29 2.107 -0.341 -10.885
177 HB2 ASN 29 2HB ASN 29 3.620 -1.512 -12.559
178 HB3 ASN 29 3HB ASN 29 4.385 -0.902 -11.100
179 HD21 ASN 29 1HD2 ASN 29 5.208 -2.345 -9.601
180 HD22 ASN 29 2HD2 ASN 29 5.432 -4.022 -9.950
181 HA PRO 30 HA PRO 30 0.277 0.282 -10.758
182 HB2 PRO 30 2HB PRO 30 -2.416 0.496 -10.907
183 HB3 PRO 30 3HB PRO 30 -1.356 0.814 -12.291
184 HG2 PRO 30 2HG PRO 30 -3.164 -1.447 -11.812
185 HG3 PRO 30 3HG PRO 30 -2.511 -0.821 -13.334
186 HD2 PRO 30 2HD PRO 30 -1.605 -3.090 -11.840
187 HD3 PRO 30 3HD PRO 30 -0.942 -2.443 -13.351
188 H ASP 31 H ASP 31 -1.440 -2.665 -9.933
189 HA ASP 31 HA ASP 31 -2.191 -1.680 -7.301
190 HB2 ASP 31 2HB ASP 31 -3.280 -3.940 -7.059
191 HB3 ASP 31 3HB ASP 31 -3.905 -2.947 -8.369
192 H GLY 32 H GLY 32 -1.626 -2.696 -5.345
193 HA2 GLY 32 2HA GLY 32 0.533 -4.643 -5.325
194 HA3 GLY 32 3HA GLY 32 0.944 -3.054 -4.702
195 H THR 33 H THR 33 1.385 -4.659 -2.861
196 HA THR 33 HA THR 33 -1.003 -4.771 -1.134
197 HB THR 33 HB THR 33 1.268 -6.663 -0.666
198 HG1 THR 33 HG1 THR 33 -0.638 -6.843 -2.748
199 HG21 THR 33 3HG2 THR 33 -1.727 -6.887 -0.309
200 HG22 THR 33 1HG2 THR 33 -0.553 -6.544 0.962
201 HG23 THR 33 2HG2 THR 33 -0.546 -8.112 0.154
202 H CYS 34 H CYS 34 -0.748 -4.128 0.996
203 HA CYS 34 HA CYS 34 1.577 -2.458 1.500
204 HB2 CYS 34 2HB CYS 34 -1.100 -2.768 2.824
205 HB3 CYS 34 3HB CYS 34 0.204 -1.910 3.635
206 H TYR 35 H TYR 35 3.314 -3.355 2.296
207 HA TYR 35 HA TYR 35 3.075 -5.260 4.533
208 HB2 TYR 35 2HB TYR 35 4.836 -5.362 2.105
209 HB3 TYR 35 3HB TYR 35 5.380 -6.096 3.607
210 HD1 TYR 35 HD1 TYR 35 3.799 -7.845 4.687
211 HD2 TYR 35 HD2 TYR 35 3.477 -6.570 0.636
212 HE1 TYR 35 HE1 TYR 35 2.545 -9.889 4.149
213 HE2 TYR 35 HE2 TYR 35 2.219 -8.612 0.093
214 HH TYR 35 HH TYR 35 1.940 -10.892 0.969
215 H TYR 36 H TYR 36 4.919 -5.273 6.012
216 HA TYR 36 HA TYR 36 5.945 -2.573 6.436
217 HB2 TYR 36 2HB TYR 36 4.797 -4.070 8.224
218 HB3 TYR 36 3HB TYR 36 6.352 -4.888 8.313
219 HD1 TYR 36 HD2 TYR 36 4.541 -1.778 9.016
220 HD2 TYR 36 HD1 TYR 36 8.283 -3.785 9.283
221 HE1 TYR 36 HE2 TYR 36 5.342 -0.064 10.587
222 HE2 TYR 36 HE1 TYR 36 9.094 -2.077 10.855
223 HH TYR 36 HH TYR 36 7.038 0.170 12.350
224 H LEU 37 H LEU 37 8.047 -2.007 6.348
225 HA LEU 37 HA LEU 37 9.943 -4.003 5.344
226 HB2 LEU 37 2HB LEU 37 9.918 -0.991 5.268
227 HB3 LEU 37 3HB LEU 37 11.343 -1.921 4.851
228 HG LEU 37 HG LEU 37 8.767 -2.487 3.439
229 HD11 LEU 37 1HD1 LEU 37 10.616 -0.171 2.913
230 HD12 LEU 37 2HD1 LEU 37 8.884 -0.117 3.242
231 HD13 LEU 37 3HD1 LEU 37 9.474 -0.800 1.727
232 HD21 LEU 37 3HD2 LEU 37 11.666 -2.570 2.598
233 HD22 LEU 37 1HD2 LEU 37 10.289 -3.046 1.604
234 HD23 LEU 37 2HD2 LEU 37 10.681 -3.958 3.061
Start of MODEL 7
1 H1 PCA 1 H PCA 1 -8.035 11.802 3.481
2 HA PCA 1 HA PCA 1 -6.668 9.873 4.713
3 HB2 PCA 1 3HB PCA 1 -8.180 9.577 6.555
4 HB3 PCA 1 2HB PCA 1 -9.039 8.459 5.426
5 HG2 PCA 1 3HG PCA 1 -10.451 10.399 6.049
6 HG3 PCA 1 2HG PCA 1 -9.160 10.856 7.190
7 H GLY 2 H GLY 2 -6.423 8.028 3.465
8 HA2 GLY 2 2HA GLY 2 -8.275 6.719 1.888
9 HA3 GLY 2 3HA GLY 2 -7.604 7.984 0.870
10 H CYS 3 H CYS 3 -6.190 5.800 3.304
11 HA CYS 3 HA CYS 3 -4.376 4.760 1.233
12 HB2 CYS 3 2HB CYS 3 -2.542 4.747 2.863
13 HB3 CYS 3 3HB CYS 3 -3.153 6.378 2.611
14 H ALA 4 H ALA 4 -3.534 2.626 1.626
15 HA ALA 4 HA ALA 4 -5.449 0.940 3.047
16 HB1 ALA 4 3HB ALA 4 -4.901 -0.734 1.605
17 HB2 ALA 4 1HB ALA 4 -3.207 -0.249 1.517
18 HB3 ALA 4 2HB ALA 4 -4.427 0.641 0.607
19 H PHE 5 H PHE 5 -4.825 -0.722 4.479
20 HA PHE 5 HA PHE 5 -2.406 -0.104 6.003
21 HB2 PHE 5 2HB PHE 5 -3.466 -1.630 7.752
22 HB3 PHE 5 3HB PHE 5 -4.285 -0.110 7.441
23 HD1 PHE 5 HD2 PHE 5 -4.396 -3.744 6.666
24 HD2 PHE 5 HD1 PHE 5 -6.545 -0.074 6.864
25 HE1 PHE 5 HE2 PHE 5 -6.503 -4.962 6.305
26 HE2 PHE 5 HE1 PHE 5 -8.655 -1.287 6.509
27 HZ PHE 5 HZ PHE 5 -8.636 -3.734 6.228
28 H GLU 6 H GLU 6 -1.479 -2.194 7.135
29 HA GLU 6 HA GLU 6 -0.220 -3.735 5.133
30 HB2 GLU 6 2HB GLU 6 0.546 -3.110 7.539
31 HB3 GLU 6 3HB GLU 6 -0.317 -4.562 8.018
32 HG2 GLU 6 2HG GLU 6 1.095 -5.875 6.480
33 HG3 GLU 6 3HG GLU 6 1.994 -4.411 6.090
34 H GLY 7 H GLY 7 -0.680 -5.625 4.214
35 HA2 GLY 7 2HA GLY 7 -1.441 -7.886 4.256
36 HA3 GLY 7 3HA GLY 7 -2.581 -7.453 5.513
37 H GLU 8 H GLU 8 -2.567 -5.219 2.912
38 HA GLU 8 HA GLU 8 -4.689 -6.670 1.506
39 HB2 GLU 8 2HB GLU 8 -6.180 -4.739 1.484
40 HB3 GLU 8 3HB GLU 8 -5.832 -5.228 3.132
41 HG2 GLU 8 2HG GLU 8 -4.449 -3.357 3.503
42 HG3 GLU 8 3HG GLU 8 -4.367 -2.980 1.784
43 H SER 9 H SER 9 -5.427 -5.253 -0.485
44 HA SER 9 HA SER 9 -3.010 -4.738 -2.028
45 HB2 SER 9 2HB SER 9 -5.905 -4.939 -2.894
46 HB3 SER 9 3HB SER 9 -4.526 -4.763 -3.980
47 HG SER 9 HG SER 9 -3.955 -6.789 -2.431
48 H CYS 10 H CYS 10 -2.449 -2.827 -2.909
49 HA CYS 10 HA CYS 10 -4.190 -0.495 -2.479
50 HB2 CYS 10 2HB CYS 10 -1.995 0.778 -2.018
51 HB3 CYS 10 3HB CYS 10 -2.630 -0.246 -0.736
52 H ASN 11 H ASN 11 -4.473 0.713 -4.238
53 HA ASN 11 HA ASN 11 -2.840 0.166 -6.604
54 HB2 ASN 11 2HB ASN 11 -5.615 1.093 -6.148
55 HB3 ASN 11 3HB ASN 11 -4.789 1.786 -7.540
56 HD21 ASN 11 1HD2 ASN 11 -4.091 0.419 -9.202
57 HD22 ASN 11 2HD2 ASN 11 -4.774 -1.152 -9.423
58 H VAL 12 H VAL 12 -1.254 1.463 -7.134
59 HA VAL 12 HA VAL 12 -0.786 3.954 -5.811
60 HB VAL 12 HB VAL 12 1.232 4.140 -7.237
61 HG11 VAL 12 1HG1 VAL 12 2.414 2.230 -6.333
62 HG12 VAL 12 2HG1 VAL 12 0.889 1.393 -6.041
63 HG13 VAL 12 3HG1 VAL 12 1.276 2.860 -5.140
64 HG21 VAL 12 3HG2 VAL 12 0.281 1.566 -8.505
65 HG22 VAL 12 1HG2 VAL 12 1.863 2.307 -8.746
66 HG23 VAL 12 2HG2 VAL 12 0.408 3.133 -9.303
67 H GLN 13 H GLN 13 -3.105 3.557 -7.880
68 HA GLN 13 HA GLN 13 -2.536 5.899 -9.566
69 HB2 GLN 13 2HB GLN 13 -3.283 3.558 -10.479
70 HB3 GLN 13 3HB GLN 13 -4.882 4.074 -9.971
71 HG2 GLN 13 2HG GLN 13 -4.808 4.660 -12.212
72 HG3 GLN 13 3HG GLN 13 -4.439 6.172 -11.386
73 HE21 GLN 13 1HE2 GLN 13 -2.347 6.999 -11.480
74 HE22 GLN 13 2HE2 GLN 13 -1.195 6.455 -12.645
75 H PHE 14 H PHE 14 -4.717 4.630 -7.120
76 HA PHE 14 HA PHE 14 -5.869 7.287 -6.762
77 HB2 PHE 14 2HB PHE 14 -8.191 6.046 -6.517
78 HB3 PHE 14 3HB PHE 14 -7.623 6.590 -8.091
79 HD1 PHE 14 HD1 PHE 14 -8.196 3.676 -5.945
80 HD2 PHE 14 HD2 PHE 14 -6.950 5.029 -9.778
81 HE1 PHE 14 HE1 PHE 14 -8.348 1.374 -6.800
82 HE2 PHE 14 HE2 PHE 14 -7.103 2.733 -10.644
83 HZ PHE 14 HZ PHE 14 -7.794 0.905 -9.152
84 H TYR 15 H TYR 15 -5.211 4.082 -5.497
85 HA TYR 15 HA TYR 15 -5.874 5.094 -2.811
86 HB2 TYR 15 2HB TYR 15 -7.445 3.293 -3.849
87 HB3 TYR 15 3HB TYR 15 -6.138 2.178 -3.475
88 HD1 TYR 15 HD1 TYR 15 -8.572 4.544 -1.998
89 HD2 TYR 15 HD2 TYR 15 -5.783 1.419 -1.247
90 HE1 TYR 15 HE1 TYR 15 -9.422 4.346 0.301
91 HE2 TYR 15 HE2 TYR 15 -6.627 1.214 1.054
92 HH TYR 15 HH TYR 15 -7.809 2.590 2.712
93 HA PRO 16 HA PRO 16 -1.451 3.772 -2.671
94 HB2 PRO 16 2HB PRO 16 -0.534 5.827 -1.156
95 HB3 PRO 16 3HB PRO 16 -0.773 5.973 -2.907
96 HG2 PRO 16 2HG PRO 16 -2.465 6.979 -0.683
97 HG3 PRO 16 3HG PRO 16 -2.097 7.721 -2.252
98 HD2 PRO 16 2HD PRO 16 -4.438 6.382 -1.665
99 HD3 PRO 16 3HD PRO 16 -3.804 6.642 -3.298
100 H CYS 17 H CYS 17 0.043 3.565 -0.640
101 HA CYS 17 HA CYS 17 -1.504 2.232 1.434
102 HB2 CYS 17 2HB CYS 17 0.609 1.303 0.264
103 HB3 CYS 17 3HB CYS 17 1.500 2.383 1.331
104 H CYS 18 H CYS 18 -0.920 2.530 3.743
105 HA CYS 18 HA CYS 18 -0.904 5.332 4.413
106 HB2 CYS 18 2HB CYS 18 -1.024 2.880 6.177
107 HB3 CYS 18 3HB CYS 18 -1.229 4.535 6.739
108 HA PRO 19 HA PRO 19 3.589 5.153 5.115
109 HB2 PRO 19 2HB PRO 19 4.097 7.782 4.788
110 HB3 PRO 19 3HB PRO 19 3.766 6.717 3.409
111 HG2 PRO 19 2HG PRO 19 2.001 8.708 4.720
112 HG3 PRO 19 3HG PRO 19 2.127 8.259 3.009
113 HD2 PRO 19 2HD PRO 19 0.174 7.351 4.778
114 HD3 PRO 19 3HD PRO 19 0.584 6.611 3.220
115 H GLY 20 H GLY 20 5.101 6.548 6.570
116 HA2 GLY 20 2HA GLY 20 5.371 7.878 8.540
117 HA3 GLY 20 3HA GLY 20 3.707 7.522 8.970
118 H LEU 21 H LEU 21 3.780 4.716 8.605
119 HA LEU 21 HA LEU 21 5.185 3.954 11.039
120 HB2 LEU 21 2HB LEU 21 3.181 2.488 9.323
121 HB3 LEU 21 3HB LEU 21 3.920 1.804 10.757
122 HG LEU 21 HG LEU 21 2.928 3.996 11.884
123 HD11 LEU 21 1HD1 LEU 21 2.054 4.948 9.820
124 HD12 LEU 21 2HD1 LEU 21 0.745 4.561 10.937
125 HD13 LEU 21 3HD1 LEU 21 1.069 3.508 9.560
126 HD21 LEU 21 3HD2 LEU 21 2.428 1.720 12.562
127 HD22 LEU 21 1HD2 LEU 21 1.318 1.539 11.204
128 HD23 LEU 21 2HD2 LEU 21 0.951 2.680 12.498
129 H GLY 22 H GLY 22 5.148 3.126 7.600
130 HA2 GLY 22 2HA GLY 22 7.425 2.631 6.689
131 HA3 GLY 22 3HA GLY 22 7.578 1.495 8.021
132 H LEU 23 H LEU 23 5.010 2.178 5.648
133 HA LEU 23 HA LEU 23 4.999 -0.687 4.955
134 HB2 LEU 23 2HB LEU 23 2.706 1.279 4.894
135 HB3 LEU 23 3HB LEU 23 2.615 -0.381 4.345
136 HG LEU 23 HG LEU 23 3.362 0.260 7.188
137 HD11 LEU 23 1HD1 LEU 23 1.012 0.037 7.797
138 HD12 LEU 23 2HD1 LEU 23 0.573 -0.073 6.092
139 HD13 LEU 23 3HD1 LEU 23 1.262 1.420 6.731
140 HD21 LEU 23 3HD2 LEU 23 1.969 -2.120 5.968
141 HD22 LEU 23 1HD2 LEU 23 2.538 -1.958 7.629
142 HD23 LEU 23 2HD2 LEU 23 3.698 -2.039 6.304
143 H THR 24 H THR 24 4.683 -1.280 2.791
144 HA THR 24 HA THR 24 4.844 0.837 0.777
145 HB THR 24 HB THR 24 7.174 0.225 1.187
146 HG1 THR 24 HG1 THR 24 7.055 -1.025 -1.201
147 HG21 THR 24 3HG2 THR 24 8.022 -2.035 0.627
148 HG22 THR 24 1HG2 THR 24 6.358 -2.596 0.461
149 HG23 THR 24 2HG2 THR 24 6.949 -2.043 2.027
150 H CYS 25 H CYS 25 4.271 0.176 -1.370
151 HA CYS 25 HA CYS 25 2.385 -2.059 -1.399
152 HB2 CYS 25 2HB CYS 25 2.737 0.370 -3.155
153 HB3 CYS 25 3HB CYS 25 1.665 -0.953 -3.583
154 H ILE 26 H ILE 26 3.006 -3.928 -2.263
155 HA ILE 26 HA ILE 26 4.911 -3.901 -4.509
156 HB ILE 26 HB ILE 26 4.942 -6.000 -2.319
157 HG12 ILE 26 2HG1 ILE 26 7.237 -4.135 -2.702
158 HG13 ILE 26 3HG1 ILE 26 5.814 -3.497 -1.889
159 HG21 ILE 26 1HG2 ILE 26 5.702 -6.823 -4.493
160 HG22 ILE 26 2HG2 ILE 26 7.046 -6.725 -3.355
161 HG23 ILE 26 3HG2 ILE 26 6.857 -5.493 -4.604
162 HD11 ILE 26 3HD1 ILE 26 5.991 -5.124 -0.156
163 HD12 ILE 26 1HD1 ILE 26 7.576 -4.381 -0.372
164 HD13 ILE 26 2HD1 ILE 26 7.259 -5.988 -1.025
165 HA PRO 27 HA PRO 27 5.446 -4.945 -6.399
166 HB2 PRO 27 2HB PRO 27 4.299 -4.670 -8.871
167 HB3 PRO 27 3HB PRO 27 4.971 -6.198 -8.270
168 HG2 PRO 27 2HG PRO 27 2.132 -5.297 -8.363
169 HG3 PRO 27 3HG PRO 27 2.826 -6.888 -8.738
170 HD2 PRO 27 2HD PRO 27 1.600 -6.385 -6.393
171 HD3 PRO 27 3HD PRO 27 2.969 -7.502 -6.525
172 H GLY 28 H GLY 28 2.155 -3.631 -6.926
173 HA2 GLY 28 2HA GLY 28 1.400 -1.459 -6.604
174 HA3 GLY 28 3HA GLY 28 3.044 -0.967 -6.238
175 H ASN 29 H ASN 29 2.018 -2.635 -9.185
176 HA ASN 29 HA ASN 29 2.103 -0.179 -10.726
177 HB2 ASN 29 2HB ASN 29 3.742 -1.193 -12.383
178 HB3 ASN 29 3HB ASN 29 4.410 -0.638 -10.856
179 HD21 ASN 29 1HD2 ASN 29 5.203 -2.139 -9.389
180 HD22 ASN 29 2HD2 ASN 29 5.521 -3.780 -9.824
181 HA PRO 30 HA PRO 30 0.247 0.395 -10.717
182 HB2 PRO 30 2HB PRO 30 -2.451 0.472 -10.920
183 HB3 PRO 30 3HB PRO 30 -1.380 0.903 -12.263
184 HG2 PRO 30 2HG PRO 30 -3.058 -1.483 -11.905
185 HG3 PRO 30 3HG PRO 30 -2.445 -0.741 -13.392
186 HD2 PRO 30 2HD PRO 30 -1.408 -3.028 -12.044
187 HD3 PRO 30 3HD PRO 30 -0.742 -2.219 -13.474
188 H ASP 31 H ASP 31 -1.351 -2.663 -10.054
189 HA ASP 31 HA ASP 31 -2.205 -1.839 -7.404
190 HB2 ASP 31 2HB ASP 31 -3.115 -4.187 -7.263
191 HB3 ASP 31 3HB ASP 31 -3.791 -3.202 -8.551
192 H GLY 32 H GLY 32 -1.528 -2.748 -5.469
193 HA2 GLY 32 2HA GLY 32 0.769 -4.546 -5.474
194 HA3 GLY 32 3HA GLY 32 1.027 -2.948 -4.798
195 H THR 33 H THR 33 1.586 -4.564 -2.993
196 HA THR 33 HA THR 33 -0.799 -4.870 -1.285
197 HB THR 33 HB THR 33 1.526 -6.701 -0.869
198 HG1 THR 33 HG1 THR 33 1.038 -7.960 -2.547
199 HG21 THR 33 3HG2 THR 33 -1.465 -7.057 -0.608
200 HG22 THR 33 1HG2 THR 33 -0.345 -6.710 0.710
201 HG23 THR 33 2HG2 THR 33 -0.244 -8.245 -0.151
202 H CYS 34 H CYS 34 -0.558 -4.289 0.868
203 HA CYS 34 HA CYS 34 1.709 -2.559 1.423
204 HB2 CYS 34 2HB CYS 34 -0.924 -3.029 2.796
205 HB3 CYS 34 3HB CYS 34 0.357 -2.101 3.566
206 H TYR 35 H TYR 35 3.470 -3.312 2.271
207 HA TYR 35 HA TYR 35 3.336 -5.338 4.406
208 HB2 TYR 35 2HB TYR 35 5.197 -5.186 2.044
209 HB3 TYR 35 3HB TYR 35 5.680 -6.013 3.517
210 HD1 TYR 35 HD2 TYR 35 4.022 -7.863 4.374
211 HD2 TYR 35 HD1 TYR 35 4.079 -6.369 0.385
212 HE1 TYR 35 HE2 TYR 35 2.899 -9.906 3.598
213 HE2 TYR 35 HE1 TYR 35 2.959 -8.414 -0.397
214 HH TYR 35 HH TYR 35 1.509 -10.641 1.709
215 H TYR 36 H TYR 36 5.194 -5.284 5.896
216 HA TYR 36 HA TYR 36 5.990 -2.526 6.447
217 HB2 TYR 36 2HB TYR 36 4.947 -4.194 8.157
218 HB3 TYR 36 3HB TYR 36 6.572 -4.863 8.245
219 HD1 TYR 36 HD2 TYR 36 4.482 -1.930 8.979
220 HD2 TYR 36 HD1 TYR 36 8.356 -3.653 9.330
221 HE1 TYR 36 HE2 TYR 36 5.094 -0.206 10.623
222 HE2 TYR 36 HE1 TYR 36 8.979 -1.934 10.975
223 HH TYR 36 HH TYR 36 8.292 0.339 11.613
224 H LEU 37 H LEU 37 8.024 -1.786 6.340
225 HA LEU 37 HA LEU 37 10.093 -3.607 5.342
226 HB2 LEU 37 2HB LEU 37 9.804 -0.608 5.268
227 HB3 LEU 37 3HB LEU 37 11.307 -1.409 4.856
228 HG LEU 37 HG LEU 37 8.792 -2.190 3.432
229 HD11 LEU 37 1HD1 LEU 37 10.466 0.253 2.881
230 HD12 LEU 37 2HD1 LEU 37 8.744 0.196 3.256
231 HD13 LEU 37 3HD1 LEU 37 9.336 -0.455 1.728
232 HD21 LEU 37 3HD2 LEU 37 10.823 -3.503 3.069
233 HD22 LEU 37 1HD2 LEU 37 11.691 -2.040 2.602
234 HD23 LEU 37 2HD2 LEU 37 10.361 -2.631 1.607
Start of MODEL 8
1 H1 PCA 1 H PCA 1 -8.438 10.298 5.229
2 HA PCA 1 HA PCA 1 -6.738 11.291 3.888
3 HB2 PCA 1 3HB PCA 1 -4.843 10.607 5.191
4 HB3 PCA 1 2HB PCA 1 -4.628 9.372 3.890
5 HG2 PCA 1 3HG PCA 1 -5.092 8.321 6.086
6 HG3 PCA 1 2HG PCA 1 -4.980 9.955 6.790
7 H GLY 2 H GLY 2 -7.293 7.772 3.847
8 HA2 GLY 2 2HA GLY 2 -8.318 6.643 2.014
9 HA3 GLY 2 3HA GLY 2 -7.706 7.891 0.940
10 H CYS 3 H CYS 3 -6.210 5.723 3.341
11 HA CYS 3 HA CYS 3 -4.435 4.704 1.225
12 HB2 CYS 3 2HB CYS 3 -2.575 4.675 2.834
13 HB3 CYS 3 3HB CYS 3 -3.181 6.308 2.579
14 H ALA 4 H ALA 4 -3.584 2.569 1.578
15 HA ALA 4 HA ALA 4 -5.458 0.865 3.030
16 HB1 ALA 4 3HB ALA 4 -3.251 -0.333 1.470
17 HB2 ALA 4 1HB ALA 4 -4.450 0.594 0.566
18 HB3 ALA 4 2HB ALA 4 -4.955 -0.778 1.550
19 H PHE 5 H PHE 5 -4.804 -0.781 4.461
20 HA PHE 5 HA PHE 5 -2.339 -0.161 5.910
21 HB2 PHE 5 2HB PHE 5 -3.370 -1.620 7.725
22 HB3 PHE 5 3HB PHE 5 -4.183 -0.100 7.395
23 HD1 PHE 5 HD2 PHE 5 -4.352 -3.757 6.774
24 HD2 PHE 5 HD1 PHE 5 -6.451 -0.054 6.822
25 HE1 PHE 5 HE2 PHE 5 -6.478 -4.962 6.497
26 HE2 PHE 5 HE1 PHE 5 -8.581 -1.254 6.550
27 HZ PHE 5 HZ PHE 5 -8.596 -3.711 6.386
28 H GLU 6 H GLU 6 -1.370 -2.193 7.041
29 HA GLU 6 HA GLU 6 -0.167 -3.809 5.094
30 HB2 GLU 6 2HB GLU 6 0.532 -3.182 7.546
31 HB3 GLU 6 3HB GLU 6 -0.304 -4.670 7.958
32 HG2 GLU 6 2HG GLU 6 1.170 -5.889 6.392
33 HG3 GLU 6 3HG GLU 6 2.049 -4.391 6.099
34 H GLY 7 H GLY 7 -0.657 -5.697 4.183
35 HA2 GLY 7 2HA GLY 7 -1.465 -7.971 4.362
36 HA3 GLY 7 3HA GLY 7 -2.725 -7.391 5.433
37 H GLU 8 H GLU 8 -3.221 -5.063 3.527
38 HA GLU 8 HA GLU 8 -4.881 -6.612 1.663
39 HB2 GLU 8 2HB GLU 8 -6.352 -4.660 1.526
40 HB3 GLU 8 3HB GLU 8 -6.150 -5.187 3.186
41 HG2 GLU 8 2HG GLU 8 -4.885 -3.318 3.755
42 HG3 GLU 8 3HG GLU 8 -4.485 -2.962 2.075
43 H SER 9 H SER 9 -5.509 -5.114 -0.342
44 HA SER 9 HA SER 9 -2.998 -4.642 -1.751
45 HB2 SER 9 2HB SER 9 -5.837 -4.837 -2.787
46 HB3 SER 9 3HB SER 9 -4.395 -4.672 -3.789
47 HG SER 9 HG SER 9 -5.466 -6.892 -2.815
48 H CYS 10 H CYS 10 -2.606 -2.786 -2.982
49 HA CYS 10 HA CYS 10 -4.257 -0.419 -2.479
50 HB2 CYS 10 2HB CYS 10 -2.026 0.845 -2.118
51 HB3 CYS 10 3HB CYS 10 -2.663 -0.107 -0.782
52 H ASN 11 H ASN 11 -4.488 0.839 -4.223
53 HA ASN 11 HA ASN 11 -2.936 0.191 -6.628
54 HB2 ASN 11 2HB ASN 11 -5.671 1.248 -6.131
55 HB3 ASN 11 3HB ASN 11 -4.844 1.830 -7.572
56 HD21 ASN 11 1HD2 ASN 11 -4.184 0.315 -9.146
57 HD22 ASN 11 2HD2 ASN 11 -4.980 -1.212 -9.291
58 H VAL 12 H VAL 12 -1.318 1.453 -7.174
59 HA VAL 12 HA VAL 12 -0.761 3.931 -5.874
60 HB VAL 12 HB VAL 12 1.206 4.078 -7.392
61 HG11 VAL 12 1HG1 VAL 12 0.832 1.396 -6.067
62 HG12 VAL 12 2HG1 VAL 12 1.349 2.884 -5.272
63 HG13 VAL 12 3HG1 VAL 12 2.376 2.135 -6.494
64 HG21 VAL 12 3HG2 VAL 12 0.287 3.023 -9.395
65 HG22 VAL 12 1HG2 VAL 12 0.175 1.481 -8.546
66 HG23 VAL 12 2HG2 VAL 12 1.754 2.196 -8.871
67 H GLN 13 H GLN 13 -3.119 3.568 -7.946
68 HA GLN 13 HA GLN 13 -2.538 5.886 -9.648
69 HB2 GLN 13 2HB GLN 13 -3.552 3.509 -10.356
70 HB3 GLN 13 3HB GLN 13 -5.051 4.316 -9.935
71 HG2 GLN 13 2HG GLN 13 -3.083 5.509 -11.864
72 HG3 GLN 13 3HG GLN 13 -4.329 4.371 -12.368
73 HE21 GLN 13 1HE2 GLN 13 -3.644 7.584 -11.302
74 HE22 GLN 13 2HE2 GLN 13 -5.218 8.240 -11.580
75 H PHE 14 H PHE 14 -4.728 4.716 -7.143
76 HA PHE 14 HA PHE 14 -5.669 7.440 -6.679
77 HB2 PHE 14 2HB PHE 14 -8.069 6.326 -6.421
78 HB3 PHE 14 3HB PHE 14 -7.500 6.928 -7.974
79 HD1 PHE 14 HD2 PHE 14 -8.132 3.910 -5.975
80 HD2 PHE 14 HD1 PHE 14 -7.007 5.455 -9.774
81 HE1 PHE 14 HE2 PHE 14 -8.418 1.676 -6.963
82 HE2 PHE 14 HE1 PHE 14 -7.285 3.223 -10.769
83 HZ PHE 14 HZ PHE 14 -7.981 1.334 -9.360
84 H TYR 15 H TYR 15 -5.230 4.153 -5.523
85 HA TYR 15 HA TYR 15 -5.852 5.112 -2.802
86 HB2 TYR 15 2HB TYR 15 -7.404 3.327 -3.924
87 HB3 TYR 15 3HB TYR 15 -6.106 2.211 -3.519
88 HD1 TYR 15 HD2 TYR 15 -8.704 4.429 -2.163
89 HD2 TYR 15 HD1 TYR 15 -5.688 1.578 -1.226
90 HE1 TYR 15 HE2 TYR 15 -9.615 4.222 0.111
91 HE2 TYR 15 HE1 TYR 15 -6.593 1.362 1.050
92 HH TYR 15 HH TYR 15 -9.623 2.589 1.950
93 HA PRO 16 HA PRO 16 -1.433 3.750 -2.690
94 HB2 PRO 16 2HB PRO 16 -0.484 5.794 -1.177
95 HB3 PRO 16 3HB PRO 16 -0.717 5.939 -2.929
96 HG2 PRO 16 2HG PRO 16 -2.395 6.981 -0.712
97 HG3 PRO 16 3HG PRO 16 -2.015 7.709 -2.284
98 HD2 PRO 16 2HD PRO 16 -4.377 6.410 -1.689
99 HD3 PRO 16 3HD PRO 16 -3.741 6.654 -3.324
100 H CYS 17 H CYS 17 0.053 3.480 -0.675
101 HA CYS 17 HA CYS 17 -1.513 2.179 1.398
102 HB2 CYS 17 2HB CYS 17 0.632 1.271 0.236
103 HB3 CYS 17 3HB CYS 17 1.490 2.319 1.360
104 H CYS 18 H CYS 18 -0.914 2.468 3.718
105 HA CYS 18 HA CYS 18 -0.943 5.270 4.388
106 HB2 CYS 18 2HB CYS 18 -1.044 2.804 6.134
107 HB3 CYS 18 3HB CYS 18 -1.236 4.452 6.722
108 HA PRO 19 HA PRO 19 3.550 5.173 5.096
109 HB2 PRO 19 2HB PRO 19 4.007 7.812 4.777
110 HB3 PRO 19 3HB PRO 19 3.700 6.745 3.395
111 HG2 PRO 19 2HG PRO 19 1.894 8.699 4.706
112 HG3 PRO 19 3HG PRO 19 2.032 8.254 2.995
113 HD2 PRO 19 2HD PRO 19 0.094 7.305 4.760
114 HD3 PRO 19 3HD PRO 19 0.520 6.577 3.201
115 H GLY 20 H GLY 20 5.032 6.598 6.558
116 HA2 GLY 20 2HA GLY 20 5.298 7.899 8.537
117 HA3 GLY 20 3HA GLY 20 3.623 7.569 8.946
118 H LEU 21 H LEU 21 3.631 4.773 8.612
119 HA LEU 21 HA LEU 21 5.011 3.989 11.052
120 HB2 LEU 21 2HB LEU 21 2.983 2.564 9.329
121 HB3 LEU 21 3HB LEU 21 3.702 1.863 10.765
122 HG LEU 21 HG LEU 21 2.755 4.075 11.891
123 HD11 LEU 21 1HD1 LEU 21 0.588 4.689 10.937
124 HD12 LEU 21 2HD1 LEU 21 0.894 3.631 9.559
125 HD13 LEU 21 3HD1 LEU 21 1.909 5.049 9.825
126 HD21 LEU 21 3HD2 LEU 21 2.202 1.809 12.563
127 HD22 LEU 21 1HD2 LEU 21 1.091 1.657 11.202
128 HD23 LEU 21 2HD2 LEU 21 0.747 2.803 12.496
129 H GLY 22 H GLY 22 4.979 3.154 7.615
130 HA2 GLY 22 2HA GLY 22 7.252 2.609 6.724
131 HA3 GLY 22 3HA GLY 22 7.370 1.472 8.058
132 H LEU 23 H LEU 23 4.903 2.220 5.593
133 HA LEU 23 HA LEU 23 4.845 -0.647 4.908
134 HB2 LEU 23 2HB LEU 23 2.547 1.317 4.860
135 HB3 LEU 23 3HB LEU 23 2.462 -0.344 4.313
136 HG LEU 23 HG LEU 23 3.188 0.324 7.158
137 HD11 LEU 23 1HD1 LEU 23 0.843 0.050 7.752
138 HD12 LEU 23 2HD1 LEU 23 0.418 -0.104 6.047
139 HD13 LEU 23 3HD1 LEU 23 1.059 1.420 6.663
140 HD21 LEU 23 3HD2 LEU 23 1.862 -2.105 5.959
141 HD22 LEU 23 1HD2 LEU 23 2.432 -1.910 7.616
142 HD23 LEU 23 2HD2 LEU 23 3.589 -1.977 6.289
143 H THR 24 H THR 24 4.583 -1.221 2.747
144 HA THR 24 HA THR 24 4.687 0.909 0.746
145 HB THR 24 HB THR 24 7.037 0.389 1.174
146 HG1 THR 24 HG1 THR 24 5.957 -0.469 -1.302
147 HG21 THR 24 3HG2 THR 24 6.347 -2.457 0.417
148 HG22 THR 24 1HG2 THR 24 6.885 -1.895 1.999
149 HG23 THR 24 2HG2 THR 24 7.982 -1.830 0.619
150 H CYS 25 H CYS 25 4.163 0.236 -1.408
151 HA CYS 25 HA CYS 25 2.364 -2.067 -1.467
152 HB2 CYS 25 2HB CYS 25 2.668 0.343 -3.266
153 HB3 CYS 25 3HB CYS 25 1.586 -0.992 -3.617
154 H ILE 26 H ILE 26 3.104 -3.915 -2.293
155 HA ILE 26 HA ILE 26 5.036 -3.808 -4.517
156 HB ILE 26 HB ILE 26 5.091 -5.927 -2.347
157 HG12 ILE 26 2HG1 ILE 26 7.311 -3.955 -2.653
158 HG13 ILE 26 3HG1 ILE 26 5.844 -3.403 -1.852
159 HG21 ILE 26 1HG2 ILE 26 7.251 -6.551 -3.338
160 HG22 ILE 26 2HG2 ILE 26 7.039 -5.315 -4.578
161 HG23 ILE 26 3HG2 ILE 26 5.939 -6.692 -4.509
162 HD11 ILE 26 3HD1 ILE 26 7.394 -5.841 -1.015
163 HD12 ILE 26 1HD1 ILE 26 6.074 -5.056 -0.149
164 HD13 ILE 26 2HD1 ILE 26 7.625 -4.235 -0.324
165 HA PRO 27 HA PRO 27 5.628 -4.795 -6.405
166 HB2 PRO 27 2HB PRO 27 4.527 -4.548 -8.896
167 HB3 PRO 27 3HB PRO 27 5.233 -6.057 -8.289
168 HG2 PRO 27 2HG PRO 27 2.372 -5.249 -8.455
169 HG3 PRO 27 3HG PRO 27 3.126 -6.817 -8.806
170 HD2 PRO 27 2HD PRO 27 1.817 -6.323 -6.491
171 HD3 PRO 27 3HD PRO 27 3.195 -7.434 -6.596
172 H GLY 28 H GLY 28 2.296 -3.611 -6.965
173 HA2 GLY 28 2HA GLY 28 1.465 -1.467 -6.599
174 HA3 GLY 28 3HA GLY 28 3.098 -0.911 -6.279
175 H ASN 29 H ASN 29 1.972 -2.612 -9.180
176 HA ASN 29 HA ASN 29 1.936 -0.175 -10.737
177 HB2 ASN 29 2HB ASN 29 3.563 -1.125 -12.446
178 HB3 ASN 29 3HB ASN 29 4.257 -0.528 -10.948
179 HD21 ASN 29 1HD2 ASN 29 5.202 -1.964 -9.521
180 HD22 ASN 29 2HD2 ASN 29 5.572 -3.596 -9.950
181 HA PRO 30 HA PRO 30 0.060 0.319 -10.677
182 HB2 PRO 30 2HB PRO 30 -2.648 0.271 -10.797
183 HB3 PRO 30 3HB PRO 30 -1.636 0.746 -12.171
184 HG2 PRO 30 2HG PRO 30 -3.199 -1.706 -11.766
185 HG3 PRO 30 3HG PRO 30 -2.644 -0.951 -13.269
186 HD2 PRO 30 2HD PRO 30 -1.489 -3.182 -11.915
187 HD3 PRO 30 3HD PRO 30 -0.896 -2.373 -13.376
188 H ASP 31 H ASP 31 -1.399 -2.792 -9.940
189 HA ASP 31 HA ASP 31 -2.245 -2.003 -7.280
190 HB2 ASP 31 2HB ASP 31 -2.386 -4.614 -8.792
191 HB3 ASP 31 3HB ASP 31 -2.912 -4.446 -7.121
192 H GLY 32 H GLY 32 -1.464 -2.842 -5.353
193 HA2 GLY 32 2HA GLY 32 0.856 -4.584 -5.325
194 HA3 GLY 32 3HA GLY 32 1.165 -2.934 -4.806
195 H THR 33 H THR 33 1.500 -5.224 -3.175
196 HA THR 33 HA THR 33 -0.756 -5.146 -1.304
197 HB THR 33 HB THR 33 1.629 -6.852 -0.756
198 HG1 THR 33 HG1 THR 33 0.728 -6.928 -3.134
199 HG21 THR 33 3HG2 THR 33 -0.289 -6.868 0.765
200 HG22 THR 33 1HG2 THR 33 -0.095 -8.437 -0.016
201 HG23 THR 33 2HG2 THR 33 -1.351 -7.328 -0.566
202 H CYS 34 H CYS 34 -0.556 -4.472 0.824
203 HA CYS 34 HA CYS 34 1.633 -2.627 1.327
204 HB2 CYS 34 2HB CYS 34 -1.035 -3.119 2.601
205 HB3 CYS 34 3HB CYS 34 0.197 -2.216 3.474
206 H TYR 35 H TYR 35 3.429 -3.366 2.151
207 HA TYR 35 HA TYR 35 3.329 -5.311 4.366
208 HB2 TYR 35 2HB TYR 35 5.222 -5.152 2.028
209 HB3 TYR 35 3HB TYR 35 5.693 -5.949 3.521
210 HD1 TYR 35 HD1 TYR 35 3.998 -7.796 4.378
211 HD2 TYR 35 HD2 TYR 35 4.227 -6.412 0.356
212 HE1 TYR 35 HE1 TYR 35 2.942 -9.877 3.606
213 HE2 TYR 35 HE2 TYR 35 3.169 -8.491 -0.420
214 HH TYR 35 HH TYR 35 2.871 -10.806 0.346
215 H TYR 36 H TYR 36 5.190 -5.185 5.856
216 HA TYR 36 HA TYR 36 5.897 -2.398 6.377
217 HB2 TYR 36 2HB TYR 36 4.902 -4.069 8.106
218 HB3 TYR 36 3HB TYR 36 6.540 -4.705 8.197
219 HD1 TYR 36 HD2 TYR 36 4.374 -1.846 8.958
220 HD2 TYR 36 HD1 TYR 36 8.321 -3.414 9.222
221 HE1 TYR 36 HE2 TYR 36 4.954 -0.098 10.586
222 HE2 TYR 36 HE1 TYR 36 8.911 -1.669 10.852
223 HH TYR 36 HH TYR 36 8.150 0.574 11.505
224 H LEU 37 H LEU 37 7.925 -1.605 6.325
225 HA LEU 37 HA LEU 37 10.040 -3.363 5.309
226 HB2 LEU 37 2HB LEU 37 9.674 -0.372 5.264
227 HB3 LEU 37 3HB LEU 37 11.202 -1.128 4.858
228 HG LEU 37 HG LEU 37 8.725 -1.970 3.405
229 HD11 LEU 37 1HD1 LEU 37 8.594 0.413 3.254
230 HD12 LEU 37 2HD1 LEU 37 9.225 -0.198 1.724
231 HD13 LEU 37 3HD1 LEU 37 10.317 0.536 2.898
232 HD21 LEU 37 3HD2 LEU 37 11.624 -1.712 2.601
233 HD22 LEU 37 1HD2 LEU 37 10.323 -2.335 1.587
234 HD23 LEU 37 2HD2 LEU 37 10.803 -3.208 3.042
Start of MODEL 9
1 H1 PCA 1 H PCA 1 -8.632 10.833 4.509
2 HA PCA 1 HA PCA 1 -6.791 10.762 2.582
3 HB2 PCA 1 3HB PCA 1 -4.870 10.941 4.011
4 HB3 PCA 1 2HB PCA 1 -5.030 9.146 4.137
5 HG2 PCA 1 3HG PCA 1 -5.353 10.254 6.330
6 HG3 PCA 1 2HG PCA 1 -4.892 11.777 5.527
7 H GLY 2 H GLY 2 -6.840 8.868 1.387
8 HA2 GLY 2 2HA GLY 2 -8.276 6.584 2.589
9 HA3 GLY 2 3HA GLY 2 -8.375 7.037 0.894
10 H CYS 3 H CYS 3 -5.924 6.145 3.320
11 HA CYS 3 HA CYS 3 -4.394 4.767 1.231
12 HB2 CYS 3 2HB CYS 3 -2.548 4.753 2.851
13 HB3 CYS 3 3HB CYS 3 -3.157 6.383 2.593
14 H ALA 4 H ALA 4 -3.566 2.628 1.599
15 HA ALA 4 HA ALA 4 -5.463 0.943 3.039
16 HB1 ALA 4 3HB ALA 4 -4.874 -0.757 1.629
17 HB2 ALA 4 1HB ALA 4 -3.204 -0.207 1.490
18 HB3 ALA 4 2HB ALA 4 -4.482 0.625 0.605
19 H PHE 5 H PHE 5 -4.845 -0.696 4.493
20 HA PHE 5 HA PHE 5 -2.415 -0.071 5.998
21 HB2 PHE 5 2HB PHE 5 -3.476 -1.546 7.781
22 HB3 PHE 5 3HB PHE 5 -4.302 -0.037 7.434
23 HD1 PHE 5 HD2 PHE 5 -4.404 -3.694 6.824
24 HD2 PHE 5 HD1 PHE 5 -6.552 -0.019 6.780
25 HE1 PHE 5 HE2 PHE 5 -6.506 -4.930 6.490
26 HE2 PHE 5 HE1 PHE 5 -8.656 -1.249 6.450
27 HZ PHE 5 HZ PHE 5 -8.635 -3.706 6.303
28 H GLU 6 H GLU 6 -1.478 -2.128 7.148
29 HA GLU 6 HA GLU 6 -0.243 -3.719 5.179
30 HB2 GLU 6 2HB GLU 6 0.522 -3.060 7.579
31 HB3 GLU 6 3HB GLU 6 -0.347 -4.501 8.076
32 HG2 GLU 6 2HG GLU 6 1.061 -5.842 6.559
33 HG3 GLU 6 3HG GLU 6 1.967 -4.386 6.151
34 H GLY 7 H GLY 7 -0.739 -5.607 4.274
35 HA2 GLY 7 2HA GLY 7 -1.509 -7.872 4.382
36 HA3 GLY 7 3HA GLY 7 -2.665 -7.390 5.606
37 H GLU 8 H GLU 8 -2.649 -5.178 3.017
38 HA GLU 8 HA GLU 8 -4.722 -6.670 1.574
39 HB2 GLU 8 2HB GLU 8 -6.223 -4.742 1.506
40 HB3 GLU 8 3HB GLU 8 -5.914 -5.233 3.161
41 HG2 GLU 8 2HG GLU 8 -4.616 -3.343 3.603
42 HG3 GLU 8 3HG GLU 8 -4.371 -3.000 1.891
43 H SER 9 H SER 9 -5.455 -5.223 -0.423
44 HA SER 9 HA SER 9 -3.026 -4.751 -1.959
45 HB2 SER 9 2HB SER 9 -4.881 -6.206 -2.829
46 HB3 SER 9 3HB SER 9 -5.892 -4.765 -2.930
47 HG SER 9 HG SER 9 -4.691 -4.011 -4.559
48 H CYS 10 H CYS 10 -2.484 -2.856 -2.938
49 HA CYS 10 HA CYS 10 -4.159 -0.489 -2.454
50 HB2 CYS 10 2HB CYS 10 -1.961 0.758 -2.015
51 HB3 CYS 10 3HB CYS 10 -2.546 -0.299 -0.737
52 H ASN 11 H ASN 11 -4.439 0.736 -4.204
53 HA ASN 11 HA ASN 11 -2.827 0.177 -6.587
54 HB2 ASN 11 2HB ASN 11 -5.622 1.036 -6.127
55 HB3 ASN 11 3HB ASN 11 -4.817 1.750 -7.522
56 HD21 ASN 11 1HD2 ASN 11 -4.088 0.402 -9.186
57 HD22 ASN 11 2HD2 ASN 11 -4.732 -1.186 -9.406
58 H VAL 12 H VAL 12 -1.288 1.518 -7.161
59 HA VAL 12 HA VAL 12 -0.861 4.015 -5.830
60 HB VAL 12 HB VAL 12 1.121 4.264 -7.305
61 HG11 VAL 12 1HG1 VAL 12 1.268 3.027 -5.198
62 HG12 VAL 12 2HG1 VAL 12 2.378 2.388 -6.410
63 HG13 VAL 12 3HG1 VAL 12 0.877 1.533 -6.051
64 HG21 VAL 12 3HG2 VAL 12 1.782 2.430 -8.802
65 HG22 VAL 12 1HG2 VAL 12 0.292 3.206 -9.341
66 HG23 VAL 12 2HG2 VAL 12 0.227 1.646 -8.522
67 H GLN 13 H GLN 13 -3.190 3.556 -7.896
68 HA GLN 13 HA GLN 13 -2.695 5.925 -9.565
69 HB2 GLN 13 2HB GLN 13 -3.408 3.570 -10.477
70 HB3 GLN 13 3HB GLN 13 -5.011 4.061 -9.959
71 HG2 GLN 13 2HG GLN 13 -4.959 4.656 -12.198
72 HG3 GLN 13 3HG GLN 13 -4.603 6.170 -11.371
73 HE21 GLN 13 1HE2 GLN 13 -2.522 7.023 -11.474
74 HE22 GLN 13 2HE2 GLN 13 -1.370 6.495 -12.649
75 H PHE 14 H PHE 14 -4.796 4.621 -7.074
76 HA PHE 14 HA PHE 14 -5.993 7.249 -6.689
77 HB2 PHE 14 2HB PHE 14 -8.303 5.991 -6.452
78 HB3 PHE 14 3HB PHE 14 -7.745 6.549 -8.024
79 HD1 PHE 14 HD1 PHE 14 -8.295 3.618 -5.896
80 HD2 PHE 14 HD2 PHE 14 -7.066 5.003 -9.723
81 HE1 PHE 14 HE1 PHE 14 -8.431 1.321 -6.764
82 HE2 PHE 14 HE2 PHE 14 -7.204 2.710 -10.602
83 HZ PHE 14 HZ PHE 14 -7.878 0.869 -9.119
84 H TYR 15 H TYR 15 -5.277 4.042 -5.475
85 HA TYR 15 HA TYR 15 -5.968 4.992 -2.771
86 HB2 TYR 15 2HB TYR 15 -7.453 3.135 -3.873
87 HB3 TYR 15 3HB TYR 15 -6.115 2.076 -3.451
88 HD1 TYR 15 HD2 TYR 15 -8.701 4.334 -2.076
89 HD2 TYR 15 HD1 TYR 15 -5.785 1.361 -1.201
90 HE1 TYR 15 HE2 TYR 15 -9.614 4.117 0.196
91 HE2 TYR 15 HE1 TYR 15 -6.694 1.134 1.073
92 HH TYR 15 HH TYR 15 -9.677 2.452 2.003
93 HA PRO 16 HA PRO 16 -1.499 3.811 -2.659
94 HB2 PRO 16 2HB PRO 16 -0.641 5.876 -1.123
95 HB3 PRO 16 3HB PRO 16 -0.886 6.034 -2.872
96 HG2 PRO 16 2HG PRO 16 -2.606 6.965 -0.636
97 HG3 PRO 16 3HG PRO 16 -2.260 7.735 -2.196
98 HD2 PRO 16 2HD PRO 16 -4.561 6.323 -1.625
99 HD3 PRO 16 3HD PRO 16 -3.933 6.615 -3.256
100 H CYS 17 H CYS 17 0.005 3.614 -0.640
101 HA CYS 17 HA CYS 17 -1.509 2.240 1.436
102 HB2 CYS 17 2HB CYS 17 0.590 1.326 0.237
103 HB3 CYS 17 3HB CYS 17 1.493 2.412 1.288
104 H CYS 18 H CYS 18 -0.933 2.535 3.736
105 HA CYS 18 HA CYS 18 -0.904 5.335 4.417
106 HB2 CYS 18 2HB CYS 18 -1.043 2.875 6.170
107 HB3 CYS 18 3HB CYS 18 -1.235 4.529 6.740
108 HA PRO 19 HA PRO 19 3.586 5.130 5.135
109 HB2 PRO 19 2HB PRO 19 4.111 7.755 4.813
110 HB3 PRO 19 3HB PRO 19 3.776 6.695 3.431
111 HG2 PRO 19 2HG PRO 19 2.020 8.695 4.741
112 HG3 PRO 19 3HG PRO 19 2.148 8.248 3.029
113 HD2 PRO 19 2HD PRO 19 0.185 7.348 4.794
114 HD3 PRO 19 3HD PRO 19 0.593 6.610 3.234
115 H GLY 20 H GLY 20 5.099 6.511 6.600
116 HA2 GLY 20 2HA GLY 20 5.361 7.845 8.571
117 HA3 GLY 20 3HA GLY 20 3.697 7.484 8.997
118 H LEU 21 H LEU 21 3.774 4.680 8.631
119 HA LEU 21 HA LEU 21 5.170 3.917 11.068
120 HB2 LEU 21 2HB LEU 21 3.188 2.445 9.332
121 HB3 LEU 21 3HB LEU 21 3.919 1.761 10.769
122 HG LEU 21 HG LEU 21 2.905 3.944 11.895
123 HD11 LEU 21 1HD1 LEU 21 0.726 4.496 10.932
124 HD12 LEU 21 2HD1 LEU 21 1.069 3.450 9.554
125 HD13 LEU 21 3HD1 LEU 21 2.041 4.895 9.827
126 HD21 LEU 21 3HD2 LEU 21 1.316 1.478 11.195
127 HD22 LEU 21 1HD2 LEU 21 0.932 2.613 12.490
128 HD23 LEU 21 2HD2 LEU 21 2.415 1.662 12.562
129 H GLY 22 H GLY 22 5.174 3.114 7.627
130 HA2 GLY 22 2HA GLY 22 7.458 2.627 6.734
131 HA3 GLY 22 3HA GLY 22 7.604 1.485 8.060
132 H LEU 23 H LEU 23 5.011 2.160 5.716
133 HA LEU 23 HA LEU 23 5.016 -0.699 5.002
134 HB2 LEU 23 2HB LEU 23 2.734 1.279 4.897
135 HB3 LEU 23 3HB LEU 23 2.643 -0.388 4.371
136 HG LEU 23 HG LEU 23 3.357 0.291 7.214
137 HD11 LEU 23 1HD1 LEU 23 1.000 0.088 7.797
138 HD12 LEU 23 2HD1 LEU 23 0.580 -0.053 6.090
139 HD13 LEU 23 3HD1 LEU 23 1.265 1.450 6.709
140 HD21 LEU 23 3HD2 LEU 23 1.970 -2.102 6.011
141 HD22 LEU 23 1HD2 LEU 23 2.520 -1.918 7.676
142 HD23 LEU 23 2HD2 LEU 23 3.695 -2.022 6.366
143 H THR 24 H THR 24 4.711 -1.292 2.833
144 HA THR 24 HA THR 24 4.911 0.821 0.820
145 HB THR 24 HB THR 24 7.232 0.199 1.248
146 HG1 THR 24 HG1 THR 24 7.701 -0.580 -0.961
147 HG21 THR 24 3HG2 THR 24 8.096 -2.048 0.770
148 HG22 THR 24 1HG2 THR 24 6.454 -2.623 0.481
149 HG23 THR 24 2HG2 THR 24 6.929 -2.085 2.091
150 H CYS 25 H CYS 25 4.336 0.177 -1.320
151 HA CYS 25 HA CYS 25 2.435 -2.043 -1.372
152 HB2 CYS 25 2HB CYS 25 2.832 0.393 -3.103
153 HB3 CYS 25 3HB CYS 25 1.783 -0.929 -3.589
154 H ILE 26 H ILE 26 2.937 -3.901 -2.332
155 HA ILE 26 HA ILE 26 5.000 -3.909 -4.432
156 HB ILE 26 HB ILE 26 4.669 -6.042 -2.297
157 HG12 ILE 26 2HG1 ILE 26 7.186 -4.471 -2.612
158 HG13 ILE 26 3HG1 ILE 26 5.819 -3.660 -1.858
159 HG21 ILE 26 1HG2 ILE 26 5.406 -6.975 -4.443
160 HG22 ILE 26 2HG2 ILE 26 6.689 -7.052 -3.237
161 HG23 ILE 26 3HG2 ILE 26 6.735 -5.816 -4.494
162 HD11 ILE 26 3HD1 ILE 26 7.025 -6.255 -0.922
163 HD12 ILE 26 1HD1 ILE 26 5.724 -5.359 -0.141
164 HD13 ILE 26 2HD1 ILE 26 7.343 -4.667 -0.224
165 HA PRO 27 HA PRO 27 5.530 -4.680 -6.302
166 HB2 PRO 27 2HB PRO 27 4.220 -4.368 -8.859
167 HB3 PRO 27 3HB PRO 27 5.499 -5.508 -8.412
168 HG2 PRO 27 2HG PRO 27 2.944 -6.235 -9.036
169 HG3 PRO 27 3HG PRO 27 4.043 -7.196 -8.027
170 HD2 PRO 27 2HD PRO 27 1.791 -5.423 -7.214
171 HD3 PRO 27 3HD PRO 27 2.323 -6.966 -6.515
172 H GLY 28 H GLY 28 2.295 -3.418 -7.117
173 HA2 GLY 28 2HA GLY 28 1.512 -1.244 -6.716
174 HA3 GLY 28 3HA GLY 28 3.164 -0.719 -6.436
175 H ASN 29 H ASN 29 2.150 -2.547 -9.268
176 HA ASN 29 HA ASN 29 2.126 -0.145 -10.914
177 HB2 ASN 29 2HB ASN 29 3.692 -1.280 -12.588
178 HB3 ASN 29 3HB ASN 29 4.415 -0.603 -11.138
179 HD21 ASN 29 1HD2 ASN 29 3.683 -3.487 -12.901
180 HD22 ASN 29 2HD2 ASN 29 4.620 -4.570 -11.935
181 HA PRO 30 HA PRO 30 0.258 0.382 -10.738
182 HB2 PRO 30 2HB PRO 30 -2.442 0.484 -10.899
183 HB3 PRO 30 3HB PRO 30 -1.390 0.889 -12.265
184 HG2 PRO 30 2HG PRO 30 -3.104 -1.458 -11.867
185 HG3 PRO 30 3HG PRO 30 -2.465 -0.764 -13.365
186 HD2 PRO 30 2HD PRO 30 -1.476 -3.032 -11.918
187 HD3 PRO 30 3HD PRO 30 -0.837 -2.326 -13.413
188 H ASP 31 H ASP 31 -1.322 -2.665 -10.012
189 HA ASP 31 HA ASP 31 -2.138 -1.798 -7.359
190 HB2 ASP 31 2HB ASP 31 -3.100 -4.121 -7.187
191 HB3 ASP 31 3HB ASP 31 -3.770 -3.130 -8.475
192 H GLY 32 H GLY 32 -1.535 -2.839 -5.428
193 HA2 GLY 32 2HA GLY 32 0.720 -4.670 -5.431
194 HA3 GLY 32 3HA GLY 32 1.053 -3.074 -4.779
195 H THR 33 H THR 33 1.568 -4.604 -2.929
196 HA THR 33 HA THR 33 -0.828 -4.868 -1.228
197 HB THR 33 HB THR 33 1.496 -6.688 -0.757
198 HG1 THR 33 HG1 THR 33 -0.351 -7.896 -2.326
199 HG21 THR 33 3HG2 THR 33 -1.496 -7.036 -0.495
200 HG22 THR 33 1HG2 THR 33 -0.379 -6.658 0.817
201 HG23 THR 33 2HG2 THR 33 -0.277 -8.214 -0.007
202 H CYS 34 H CYS 34 -0.587 -4.293 0.934
203 HA CYS 34 HA CYS 34 1.668 -2.536 1.474
204 HB2 CYS 34 2HB CYS 34 -0.983 -2.983 2.818
205 HB3 CYS 34 3HB CYS 34 0.293 -2.061 3.606
206 H TYR 35 H TYR 35 3.430 -3.340 2.289
207 HA TYR 35 HA TYR 35 3.268 -5.313 4.472
208 HB2 TYR 35 2HB TYR 35 5.073 -5.262 2.070
209 HB3 TYR 35 3HB TYR 35 5.611 -6.025 3.560
210 HD1 TYR 35 HD2 TYR 35 4.058 -7.863 4.546
211 HD2 TYR 35 HD1 TYR 35 3.820 -6.484 0.523
212 HE1 TYR 35 HE2 TYR 35 2.900 -9.935 3.909
213 HE2 TYR 35 HE1 TYR 35 2.664 -8.557 -0.120
214 HH TYR 35 HH TYR 35 2.440 -10.866 0.680
215 H TYR 36 H TYR 36 5.130 -5.272 5.952
216 HA TYR 36 HA TYR 36 5.988 -2.526 6.453
217 HB2 TYR 36 2HB TYR 36 4.931 -4.132 8.200
218 HB3 TYR 36 3HB TYR 36 6.530 -4.863 8.269
219 HD1 TYR 36 HD1 TYR 36 4.563 -1.851 9.018
220 HD2 TYR 36 HD2 TYR 36 8.380 -3.707 9.307
221 HE1 TYR 36 HE1 TYR 36 5.267 -0.140 10.638
222 HE2 TYR 36 HE2 TYR 36 9.094 -2.001 10.927
223 HH TYR 36 HH TYR 36 6.925 0.124 12.435
224 H LEU 37 H LEU 37 8.049 -1.830 6.375
225 HA LEU 37 HA LEU 37 10.064 -3.679 5.324
226 HB2 LEU 37 2HB LEU 37 9.854 -0.674 5.329
227 HB3 LEU 37 3HB LEU 37 11.335 -1.502 4.892
228 HG LEU 37 HG LEU 37 8.800 -2.188 3.456
229 HD11 LEU 37 1HD1 LEU 37 10.509 0.247 2.995
230 HD12 LEU 37 2HD1 LEU 37 8.777 0.189 3.320
231 HD13 LEU 37 3HD1 LEU 37 9.408 -0.419 1.790
232 HD21 LEU 37 3HD2 LEU 37 10.800 -3.532 3.049
233 HD22 LEU 37 1HD2 LEU 37 11.701 -2.076 2.624
234 HD23 LEU 37 2HD2 LEU 37 10.357 -2.608 1.614
Start of MODEL 10
1 H1 PCA 1 H PCA 1 -11.641 7.433 4.409
2 HA PCA 1 HA PCA 1 -9.406 6.894 5.028
3 HB2 PCA 1 3HB PCA 1 -9.738 4.558 5.468
4 HB3 PCA 1 2HB PCA 1 -8.952 4.333 3.857
5 HG2 PCA 1 3HG PCA 1 -11.288 3.507 3.863
6 HG3 PCA 1 2HG PCA 1 -11.306 3.837 5.615
7 H GLY 2 H GLY 2 -7.575 7.386 3.858
8 HA2 GLY 2 2HA GLY 2 -7.887 7.651 0.948
9 HA3 GLY 2 3HA GLY 2 -6.734 8.529 1.941
10 H CYS 3 H CYS 3 -5.392 6.671 3.296
11 HA CYS 3 HA CYS 3 -4.010 5.182 1.185
12 HB2 CYS 3 2HB CYS 3 -2.138 5.051 2.777
13 HB3 CYS 3 3HB CYS 3 -2.641 6.716 2.505
14 H ALA 4 H ALA 4 -3.286 3.000 1.557
15 HA ALA 4 HA ALA 4 -5.257 1.428 3.023
16 HB1 ALA 4 3HB ALA 4 -4.868 -0.233 1.540
17 HB2 ALA 4 1HB ALA 4 -3.126 0.047 1.527
18 HB3 ALA 4 2HB ALA 4 -4.192 1.077 0.572
19 H PHE 5 H PHE 5 -4.725 -0.216 4.494
20 HA PHE 5 HA PHE 5 -2.234 0.266 5.953
21 HB2 PHE 5 2HB PHE 5 -3.375 -1.089 7.785
22 HB3 PHE 5 3HB PHE 5 -4.080 0.476 7.421
23 HD1 PHE 5 HD2 PHE 5 -4.493 -3.170 6.867
24 HD2 PHE 5 HD1 PHE 5 -6.335 0.667 6.824
25 HE1 PHE 5 HE2 PHE 5 -6.694 -4.234 6.593
26 HE2 PHE 5 HE1 PHE 5 -8.539 -0.390 6.555
27 HZ PHE 5 HZ PHE 5 -8.721 -2.843 6.438
28 H GLU 6 H GLU 6 -1.383 -1.784 7.114
29 HA GLU 6 HA GLU 6 -0.291 -3.519 5.206
30 HB2 GLU 6 2HB GLU 6 0.472 -2.875 7.623
31 HB3 GLU 6 3HB GLU 6 -0.474 -4.274 8.101
32 HG2 GLU 6 2HG GLU 6 0.890 -5.662 6.564
33 HG3 GLU 6 3HG GLU 6 1.889 -4.248 6.236
34 H GLY 7 H GLY 7 -0.925 -5.367 4.315
35 HA2 GLY 7 2HA GLY 7 -1.850 -7.593 4.543
36 HA3 GLY 7 3HA GLY 7 -3.061 -6.929 5.622
37 H GLU 8 H GLU 8 -3.320 -4.610 3.557
38 HA GLU 8 HA GLU 8 -5.144 -6.104 1.797
39 HB2 GLU 8 2HB GLU 8 -6.491 -4.073 1.607
40 HB3 GLU 8 3HB GLU 8 -6.298 -4.545 3.285
41 HG2 GLU 8 2HG GLU 8 -4.873 -2.749 3.746
42 HG3 GLU 8 3HG GLU 8 -4.543 -2.459 2.038
43 H SER 9 H SER 9 -5.684 -4.675 -0.264
44 HA SER 9 HA SER 9 -3.164 -4.406 -1.701
45 HB2 SER 9 2HB SER 9 -4.652 -4.315 -3.723
46 HB3 SER 9 3HB SER 9 -4.812 -5.793 -2.776
47 HG SER 9 HG SER 9 -6.568 -4.240 -1.737
48 H CYS 10 H CYS 10 -2.521 -2.591 -2.804
49 HA CYS 10 HA CYS 10 -4.053 -0.116 -2.399
50 HB2 CYS 10 2HB CYS 10 -1.776 1.014 -2.033
51 HB3 CYS 10 3HB CYS 10 -2.416 0.052 -0.707
52 H ASN 11 H ASN 11 -4.293 1.052 -4.186
53 HA ASN 11 HA ASN 11 -2.744 0.331 -6.567
54 HB2 ASN 11 2HB ASN 11 -5.480 1.355 -6.100
55 HB3 ASN 11 3HB ASN 11 -4.657 1.991 -7.521
56 HD21 ASN 11 1HD2 ASN 11 -4.037 0.572 -9.166
57 HD22 ASN 11 2HD2 ASN 11 -4.762 -0.986 -9.337
58 H VAL 12 H VAL 12 -1.145 1.568 -7.209
59 HA VAL 12 HA VAL 12 -0.547 4.066 -5.950
60 HB VAL 12 HB VAL 12 1.412 4.166 -7.476
61 HG11 VAL 12 1HG1 VAL 12 1.532 2.976 -5.339
62 HG12 VAL 12 2HG1 VAL 12 2.580 2.248 -6.556
63 HG13 VAL 12 3HG1 VAL 12 1.044 1.485 -6.146
64 HG21 VAL 12 3HG2 VAL 12 0.476 3.105 -9.465
65 HG22 VAL 12 1HG2 VAL 12 0.341 1.572 -8.602
66 HG23 VAL 12 2HG2 VAL 12 1.931 2.258 -8.937
67 H GLN 13 H GLN 13 -2.929 3.675 -7.994
68 HA GLN 13 HA GLN 13 -2.336 5.987 -9.708
69 HB2 GLN 13 2HB GLN 13 -3.192 3.658 -10.559
70 HB3 GLN 13 3HB GLN 13 -4.757 4.248 -10.030
71 HG2 GLN 13 2HG GLN 13 -4.706 4.795 -12.282
72 HG3 GLN 13 3HG GLN 13 -4.253 6.303 -11.491
73 HE21 GLN 13 1HE2 GLN 13 -3.158 3.632 -13.424
74 HE22 GLN 13 2HE2 GLN 13 -1.657 4.334 -13.913
75 H PHE 14 H PHE 14 -4.461 4.861 -7.150
76 HA PHE 14 HA PHE 14 -5.503 7.559 -6.809
77 HB2 PHE 14 2HB PHE 14 -7.881 6.449 -6.524
78 HB3 PHE 14 3HB PHE 14 -7.307 6.937 -8.113
79 HD1 PHE 14 HD1 PHE 14 -8.005 4.091 -5.914
80 HD2 PHE 14 HD2 PHE 14 -6.746 5.317 -9.785
81 HE1 PHE 14 HE1 PHE 14 -8.289 1.788 -6.729
82 HE2 PHE 14 HE2 PHE 14 -7.031 3.019 -10.612
83 HZ PHE 14 HZ PHE 14 -7.794 1.253 -9.079
84 H TYR 15 H TYR 15 -4.964 4.340 -5.536
85 HA TYR 15 HA TYR 15 -5.586 5.378 -2.847
86 HB2 TYR 15 2HB TYR 15 -7.181 3.595 -3.886
87 HB3 TYR 15 3HB TYR 15 -5.892 2.463 -3.500
88 HD1 TYR 15 HD1 TYR 15 -8.297 4.874 -2.045
89 HD2 TYR 15 HD2 TYR 15 -5.564 1.706 -1.271
90 HE1 TYR 15 HE1 TYR 15 -9.164 4.694 0.248
91 HE2 TYR 15 HE2 TYR 15 -6.426 1.518 1.024
92 HH TYR 15 HH TYR 15 -9.290 3.021 2.044
93 HA PRO 16 HA PRO 16 -1.181 3.972 -2.731
94 HB2 PRO 16 2HB PRO 16 -0.210 6.021 -1.239
95 HB3 PRO 16 3HB PRO 16 -0.451 6.154 -2.991
96 HG2 PRO 16 2HG PRO 16 -2.112 7.223 -0.773
97 HG3 PRO 16 3HG PRO 16 -1.733 7.938 -2.352
98 HD2 PRO 16 2HD PRO 16 -4.102 6.662 -1.741
99 HD3 PRO 16 3HD PRO 16 -3.468 6.885 -3.380
100 H CYS 17 H CYS 17 0.311 3.683 -0.739
101 HA CYS 17 HA CYS 17 -1.264 2.460 1.382
102 HB2 CYS 17 2HB CYS 17 0.770 1.400 0.186
103 HB3 CYS 17 3HB CYS 17 1.742 2.444 1.216
104 H CYS 18 H CYS 18 -0.628 2.754 3.674
105 HA CYS 18 HA CYS 18 -0.448 5.560 4.306
106 HB2 CYS 18 2HB CYS 18 -0.695 3.134 6.093
107 HB3 CYS 18 3HB CYS 18 -0.775 4.801 6.651
108 HA PRO 19 HA PRO 19 4.036 5.143 4.969
109 HB2 PRO 19 2HB PRO 19 4.686 7.731 4.579
110 HB3 PRO 19 3HB PRO 19 4.281 6.658 3.227
111 HG2 PRO 19 2HG PRO 19 2.647 8.775 4.507
112 HG3 PRO 19 3HG PRO 19 2.726 8.277 2.807
113 HD2 PRO 19 2HD PRO 19 0.749 7.524 4.626
114 HD3 PRO 19 3HD PRO 19 1.089 6.732 3.076
115 H GLY 20 H GLY 20 5.636 6.485 6.382
116 HA2 GLY 20 2HA GLY 20 6.018 7.817 8.322
117 HA3 GLY 20 3HA GLY 20 4.328 7.619 8.756
118 H LEU 21 H LEU 21 4.154 4.810 8.480
119 HA LEU 21 HA LEU 21 5.472 4.001 10.945
120 HB2 LEU 21 2HB LEU 21 3.389 2.646 9.231
121 HB3 LEU 21 3HB LEU 21 4.047 1.950 10.697
122 HG LEU 21 HG LEU 21 2.795 4.657 10.851
123 HD11 LEU 21 1HD1 LEU 21 1.258 2.066 10.742
124 HD12 LEU 21 2HD1 LEU 21 1.186 3.373 9.560
125 HD13 LEU 21 3HD1 LEU 21 0.596 3.634 11.201
126 HD21 LEU 21 3HD2 LEU 21 2.163 3.855 13.076
127 HD22 LEU 21 1HD2 LEU 21 3.901 3.716 12.814
128 HD23 LEU 21 2HD2 LEU 21 2.877 2.284 12.715
129 H GLY 22 H GLY 22 5.435 3.099 7.527
130 HA2 GLY 22 2HA GLY 22 7.680 2.405 6.674
131 HA3 GLY 22 3HA GLY 22 7.720 1.293 8.033
132 H LEU 23 H LEU 23 5.243 2.111 5.607
133 HA LEU 23 HA LEU 23 5.041 -0.759 4.966
134 HB2 LEU 23 2HB LEU 23 2.887 1.357 4.834
135 HB3 LEU 23 3HB LEU 23 2.692 -0.306 4.320
136 HG LEU 23 HG LEU 23 3.439 0.355 7.160
137 HD11 LEU 23 1HD1 LEU 23 1.074 0.298 7.737
138 HD12 LEU 23 2HD1 LEU 23 0.650 0.158 6.031
139 HD13 LEU 23 3HD1 LEU 23 1.419 1.628 6.632
140 HD21 LEU 23 3HD2 LEU 23 1.898 -1.963 6.000
141 HD22 LEU 23 1HD2 LEU 23 2.503 -1.797 7.648
142 HD23 LEU 23 2HD2 LEU 23 3.634 -1.987 6.309
143 H THR 24 H THR 24 4.728 -1.373 2.814
144 HA THR 24 HA THR 24 5.048 0.687 0.761
145 HB THR 24 HB THR 24 7.328 -0.059 1.210
146 HG1 THR 24 HG1 THR 24 6.259 0.083 -1.095
147 HG21 THR 24 3HG2 THR 24 8.057 -2.366 0.767
148 HG22 THR 24 1HG2 THR 24 6.380 -2.846 0.509
149 HG23 THR 24 2HG2 THR 24 6.905 -2.300 2.100
150 H CYS 25 H CYS 25 4.438 0.035 -1.370
151 HA CYS 25 HA CYS 25 2.409 -2.068 -1.379
152 HB2 CYS 25 2HB CYS 25 2.963 0.285 -3.185
153 HB3 CYS 25 3HB CYS 25 1.812 -0.972 -3.608
154 H ILE 26 H ILE 26 2.800 -3.976 -2.292
155 HA ILE 26 HA ILE 26 4.850 -4.155 -4.397
156 HB ILE 26 HB ILE 26 4.418 -6.214 -2.209
157 HG12 ILE 26 2HG1 ILE 26 7.010 -4.780 -2.574
158 HG13 ILE 26 3HG1 ILE 26 5.691 -3.891 -1.822
159 HG21 ILE 26 1HG2 ILE 26 6.380 -7.350 -3.134
160 HG22 ILE 26 2HG2 ILE 26 6.477 -6.149 -4.423
161 HG23 ILE 26 3HG2 ILE 26 5.092 -7.237 -4.334
162 HD11 ILE 26 3HD1 ILE 26 5.528 -5.567 -0.080
163 HD12 ILE 26 1HD1 ILE 26 7.170 -4.935 -0.179
164 HD13 ILE 26 2HD1 ILE 26 6.793 -6.521 -0.854
165 HA PRO 27 HA PRO 27 5.314 -4.986 -6.255
166 HB2 PRO 27 2HB PRO 27 3.997 -4.662 -8.805
167 HB3 PRO 27 3HB PRO 27 5.218 -5.858 -8.345
168 HG2 PRO 27 2HG PRO 27 2.621 -6.462 -8.929
169 HG3 PRO 27 3HG PRO 27 3.680 -7.458 -7.912
170 HD2 PRO 27 2HD PRO 27 1.532 -5.554 -7.112
171 HD3 PRO 27 3HD PRO 27 1.993 -7.107 -6.386
172 H GLY 28 H GLY 28 2.142 -3.573 -7.073
173 HA2 GLY 28 2HA GLY 28 1.481 -1.351 -6.712
174 HA3 GLY 28 3HA GLY 28 3.162 -0.910 -6.464
175 H ASN 29 H ASN 29 2.006 -2.746 -9.238
176 HA ASN 29 HA ASN 29 2.090 -0.388 -10.943
177 HB2 ASN 29 2HB ASN 29 3.573 -1.644 -12.607
178 HB3 ASN 29 3HB ASN 29 4.349 -0.969 -11.183
179 HD21 ASN 29 1HD2 ASN 29 3.448 -3.853 -12.864
180 HD22 ASN 29 2HD2 ASN 29 4.340 -4.960 -11.882
181 HA PRO 30 HA PRO 30 0.257 0.250 -10.779
182 HB2 PRO 30 2HB PRO 30 -2.436 0.490 -10.910
183 HB3 PRO 30 3HB PRO 30 -1.382 0.797 -12.301
184 HG2 PRO 30 2HG PRO 30 -3.210 -1.444 -11.811
185 HG3 PRO 30 3HG PRO 30 -2.558 -0.828 -13.337
186 HD2 PRO 30 2HD PRO 30 -1.669 -3.103 -11.839
187 HD3 PRO 30 3HD PRO 30 -1.011 -2.471 -13.359
188 H ASP 31 H ASP 31 -1.477 -2.683 -9.940
189 HA ASP 31 HA ASP 31 -2.210 -1.694 -7.307
190 HB2 ASP 31 2HB ASP 31 -3.292 -3.956 -7.052
191 HB3 ASP 31 3HB ASP 31 -3.925 -2.971 -8.363
192 H GLY 32 H GLY 32 -1.637 -2.708 -5.349
193 HA2 GLY 32 2HA GLY 32 0.534 -4.643 -5.336
194 HA3 GLY 32 3HA GLY 32 0.935 -3.052 -4.711
195 H THR 33 H THR 33 1.393 -4.641 -2.867
196 HA THR 33 HA THR 33 -0.992 -4.773 -1.137
197 HB THR 33 HB THR 33 1.284 -6.659 -0.674
198 HG1 THR 33 HG1 THR 33 0.959 -7.510 -2.590
199 HG21 THR 33 3HG2 THR 33 -0.544 -6.549 0.950
200 HG22 THR 33 1HG2 THR 33 -0.525 -8.116 0.140
201 HG23 THR 33 2HG2 THR 33 -1.711 -6.897 -0.326
202 H CYS 34 H CYS 34 -0.736 -4.127 0.990
203 HA CYS 34 HA CYS 34 1.590 -2.459 1.495
204 HB2 CYS 34 2HB CYS 34 -1.089 -2.766 2.816
205 HB3 CYS 34 3HB CYS 34 0.216 -1.911 3.629
206 H TYR 35 H TYR 35 3.326 -3.353 2.299
207 HA TYR 35 HA TYR 35 3.079 -5.269 4.526
208 HB2 TYR 35 2HB TYR 35 4.870 -5.340 2.118
209 HB3 TYR 35 3HB TYR 35 5.395 -6.087 3.620
210 HD1 TYR 35 HD2 TYR 35 3.793 -7.846 4.662
211 HD2 TYR 35 HD1 TYR 35 3.548 -6.544 0.614
212 HE1 TYR 35 HE2 TYR 35 2.552 -9.888 4.085
213 HE2 TYR 35 HE1 TYR 35 2.309 -8.587 0.031
214 HH TYR 35 HH TYR 35 0.986 -10.667 2.360
215 H TYR 36 H TYR 36 4.912 -5.281 6.021
216 HA TYR 36 HA TYR 36 5.916 -2.576 6.471
217 HB2 TYR 36 2HB TYR 36 4.759 -4.109 8.235
218 HB3 TYR 36 3HB TYR 36 6.333 -4.887 8.347
219 HD1 TYR 36 HD2 TYR 36 4.431 -1.829 9.030
220 HD2 TYR 36 HD1 TYR 36 8.222 -3.734 9.343
221 HE1 TYR 36 HE2 TYR 36 5.164 -0.098 10.614
222 HE2 TYR 36 HE1 TYR 36 8.965 -2.008 10.929
223 HH TYR 36 HH TYR 36 8.406 0.312 11.522
224 H LEU 37 H LEU 37 8.012 -1.996 6.394
225 HA LEU 37 HA LEU 37 9.933 -3.984 5.417
226 HB2 LEU 37 2HB LEU 37 9.887 -0.972 5.321
227 HB3 LEU 37 3HB LEU 37 11.319 -1.897 4.916
228 HG LEU 37 HG LEU 37 8.752 -2.483 3.495
229 HD11 LEU 37 1HD1 LEU 37 8.869 -0.113 3.285
230 HD12 LEU 37 2HD1 LEU 37 9.459 -0.807 1.775
231 HD13 LEU 37 3HD1 LEU 37 10.601 -0.169 2.957
232 HD21 LEU 37 3HD2 LEU 37 10.673 -3.953 3.140
233 HD22 LEU 37 1HD2 LEU 37 11.655 -2.566 2.669
234 HD23 LEU 37 2HD2 LEU 37 10.285 -3.054 1.673
Start of MODEL 11
1 H1 PCA 1 H PCA 1 -9.055 8.538 5.858
2 HA PCA 1 HA PCA 1 -8.219 10.560 4.917
3 HB2 PCA 1 3HB PCA 1 -6.050 10.532 5.942
4 HB3 PCA 1 2HB PCA 1 -5.491 9.982 4.315
5 HG2 PCA 1 3HG PCA 1 -5.090 8.262 6.054
6 HG3 PCA 1 2HG PCA 1 -5.633 9.471 7.246
7 H GLY 2 H GLY 2 -7.079 7.393 3.740
8 HA2 GLY 2 2HA GLY 2 -8.221 6.892 1.482
9 HA3 GLY 2 3HA GLY 2 -7.333 8.312 0.954
10 H CYS 3 H CYS 3 -6.207 5.789 3.163
11 HA CYS 3 HA CYS 3 -4.342 4.813 1.114
12 HB2 CYS 3 2HB CYS 3 -2.507 4.792 2.752
13 HB3 CYS 3 3HB CYS 3 -3.106 6.425 2.484
14 H ALA 4 H ALA 4 -3.524 2.672 1.485
15 HA ALA 4 HA ALA 4 -5.433 0.993 2.912
16 HB1 ALA 4 3HB ALA 4 -3.162 -0.174 1.397
17 HB2 ALA 4 1HB ALA 4 -4.419 0.669 0.489
18 HB3 ALA 4 2HB ALA 4 -4.839 -0.706 1.510
19 H PHE 5 H PHE 5 -4.840 -0.630 4.387
20 HA PHE 5 HA PHE 5 -2.420 -0.011 5.910
21 HB2 PHE 5 2HB PHE 5 -3.511 -1.457 7.698
22 HB3 PHE 5 3HB PHE 5 -4.319 0.056 7.327
23 HD1 PHE 5 HD2 PHE 5 -4.451 -3.606 6.746
24 HD2 PHE 5 HD1 PHE 5 -6.563 0.089 6.660
25 HE1 PHE 5 HE2 PHE 5 -6.561 -4.824 6.404
26 HE2 PHE 5 HE1 PHE 5 -8.677 -1.124 6.323
27 HZ PHE 5 HZ PHE 5 -8.677 -3.582 6.194
28 H GLU 6 H GLU 6 -1.502 -2.053 7.084
29 HA GLU 6 HA GLU 6 -0.258 -3.677 5.153
30 HB2 GLU 6 2HB GLU 6 0.472 -3.005 7.560
31 HB3 GLU 6 3HB GLU 6 -0.417 -4.435 8.054
32 HG2 GLU 6 2HG GLU 6 1.006 -5.797 6.567
33 HG3 GLU 6 3HG GLU 6 1.932 -4.351 6.171
34 H GLY 7 H GLY 7 -0.759 -5.563 4.250
35 HA2 GLY 7 2HA GLY 7 -1.545 -7.822 4.361
36 HA3 GLY 7 3HA GLY 7 -2.718 -7.325 5.562
37 H GLU 8 H GLU 8 -2.734 -5.071 3.055
38 HA GLU 8 HA GLU 8 -4.756 -6.579 1.551
39 HB2 GLU 8 2HB GLU 8 -6.260 -4.657 1.476
40 HB3 GLU 8 3HB GLU 8 -5.961 -5.147 3.134
41 HG2 GLU 8 2HG GLU 8 -4.715 -3.246 3.603
42 HG3 GLU 8 3HG GLU 8 -4.378 -2.928 1.903
43 H SER 9 H SER 9 -5.472 -5.114 -0.444
44 HA SER 9 HA SER 9 -3.031 -4.653 -1.959
45 HB2 SER 9 2HB SER 9 -4.602 -4.547 -3.916
46 HB3 SER 9 3HB SER 9 -4.660 -6.067 -3.026
47 HG SER 9 HG SER 9 -6.448 -4.727 -1.843
48 H CYS 10 H CYS 10 -2.549 -2.781 -3.070
49 HA CYS 10 HA CYS 10 -4.153 -0.384 -2.531
50 HB2 CYS 10 2HB CYS 10 -1.913 0.827 -2.143
51 HB3 CYS 10 3HB CYS 10 -2.522 -0.184 -0.839
52 H ASN 11 H ASN 11 -4.458 0.810 -4.295
53 HA ASN 11 HA ASN 11 -2.903 0.211 -6.704
54 HB2 ASN 11 2HB ASN 11 -5.641 1.236 -6.180
55 HB3 ASN 11 3HB ASN 11 -4.831 1.848 -7.619
56 HD21 ASN 11 1HD2 ASN 11 -4.161 0.362 -9.217
57 HD22 ASN 11 2HD2 ASN 11 -4.940 -1.172 -9.378
58 H VAL 12 H VAL 12 -1.308 1.486 -7.282
59 HA VAL 12 HA VAL 12 -0.743 3.958 -5.968
60 HB VAL 12 HB VAL 12 1.194 4.129 -7.535
61 HG11 VAL 12 1HG1 VAL 12 1.401 2.972 -5.405
62 HG12 VAL 12 2HG1 VAL 12 2.400 2.201 -6.638
63 HG13 VAL 12 3HG1 VAL 12 0.870 1.467 -6.157
64 HG21 VAL 12 3HG2 VAL 12 0.165 1.507 -8.635
65 HG22 VAL 12 1HG2 VAL 12 1.734 2.227 -8.996
66 HG23 VAL 12 2HG2 VAL 12 0.253 3.037 -9.507
67 H GLN 13 H GLN 13 -3.119 3.586 -8.035
68 HA GLN 13 HA GLN 13 -2.570 5.934 -9.706
69 HB2 GLN 13 2HB GLN 13 -3.564 3.559 -10.445
70 HB3 GLN 13 3HB GLN 13 -5.069 4.340 -10.000
71 HG2 GLN 13 2HG GLN 13 -3.130 5.587 -11.925
72 HG3 GLN 13 3HG GLN 13 -4.366 4.441 -12.438
73 HE21 GLN 13 1HE2 GLN 13 -3.712 7.647 -11.334
74 HE22 GLN 13 2HE2 GLN 13 -5.296 8.287 -11.588
75 H PHE 14 H PHE 14 -4.731 4.716 -7.198
76 HA PHE 14 HA PHE 14 -5.690 7.426 -6.696
77 HB2 PHE 14 2HB PHE 14 -8.085 6.301 -6.450
78 HB3 PHE 14 3HB PHE 14 -7.520 6.921 -7.997
79 HD1 PHE 14 HD1 PHE 14 -8.139 3.879 -6.032
80 HD2 PHE 14 HD2 PHE 14 -7.026 5.472 -9.814
81 HE1 PHE 14 HE1 PHE 14 -8.410 1.653 -7.043
82 HE2 PHE 14 HE2 PHE 14 -7.300 3.252 -10.835
83 HZ PHE 14 HZ PHE 14 -7.981 1.342 -9.446
84 H TYR 15 H TYR 15 -5.224 4.128 -5.588
85 HA TYR 15 HA TYR 15 -5.873 5.036 -2.855
86 HB2 TYR 15 2HB TYR 15 -7.364 3.220 -4.025
87 HB3 TYR 15 3HB TYR 15 -6.044 2.139 -3.599
88 HD1 TYR 15 HD1 TYR 15 -8.685 4.333 -2.259
89 HD2 TYR 15 HD2 TYR 15 -5.696 1.453 -1.325
90 HE1 TYR 15 HE1 TYR 15 -9.635 4.087 -0.005
91 HE2 TYR 15 HE2 TYR 15 -6.640 1.200 0.931
92 HH TYR 15 HH TYR 15 -9.679 2.417 1.802
93 HA PRO 16 HA PRO 16 -1.420 3.777 -2.756
94 HB2 PRO 16 2HB PRO 16 -0.510 5.845 -1.252
95 HB3 PRO 16 3HB PRO 16 -0.750 5.980 -3.003
96 HG2 PRO 16 2HG PRO 16 -2.441 6.997 -0.784
97 HG3 PRO 16 3HG PRO 16 -2.084 7.725 -2.362
98 HD2 PRO 16 2HD PRO 16 -4.414 6.376 -1.745
99 HD3 PRO 16 3HD PRO 16 -3.796 6.633 -3.386
100 H CYS 17 H CYS 17 0.081 3.589 -0.723
101 HA CYS 17 HA CYS 17 -1.463 2.261 1.359
102 HB2 CYS 17 2HB CYS 17 0.643 1.319 0.196
103 HB3 CYS 17 3HB CYS 17 1.542 2.415 1.240
104 H CYS 18 H CYS 18 -0.897 2.576 3.663
105 HA CYS 18 HA CYS 18 -0.868 5.383 4.314
106 HB2 CYS 18 2HB CYS 18 -1.015 2.943 6.095
107 HB3 CYS 18 3HB CYS 18 -1.215 4.604 6.643
108 HA PRO 19 HA PRO 19 3.619 5.182 5.049
109 HB2 PRO 19 2HB PRO 19 4.147 7.804 4.705
110 HB3 PRO 19 3HB PRO 19 3.816 6.731 3.332
111 HG2 PRO 19 2HG PRO 19 2.056 8.742 4.618
112 HG3 PRO 19 3HG PRO 19 2.191 8.282 2.911
113 HD2 PRO 19 2HD PRO 19 0.219 7.397 4.670
114 HD3 PRO 19 3HD PRO 19 0.638 6.643 3.121
115 H GLY 20 H GLY 20 5.130 6.576 6.505
116 HA2 GLY 20 2HA GLY 20 5.404 7.913 8.466
117 HA3 GLY 20 3HA GLY 20 3.728 7.594 8.881
118 H LEU 21 H LEU 21 3.763 4.778 8.539
119 HA LEU 21 HA LEU 21 5.103 4.018 11.009
120 HB2 LEU 21 2HB LEU 21 3.140 2.551 9.246
121 HB3 LEU 21 3HB LEU 21 3.825 1.881 10.712
122 HG LEU 21 HG LEU 21 2.386 4.493 10.886
123 HD11 LEU 21 1HD1 LEU 21 1.033 1.803 10.715
124 HD12 LEU 21 2HD1 LEU 21 0.887 3.122 9.553
125 HD13 LEU 21 3HD1 LEU 21 0.259 3.315 11.189
126 HD21 LEU 21 3HD2 LEU 21 2.603 2.101 12.716
127 HD22 LEU 21 1HD2 LEU 21 1.780 3.616 13.089
128 HD23 LEU 21 2HD2 LEU 21 3.527 3.597 12.852
129 H GLY 22 H GLY 22 5.162 3.182 7.575
130 HA2 GLY 22 2HA GLY 22 7.450 2.654 6.724
131 HA3 GLY 22 3HA GLY 22 7.565 1.531 8.071
132 H LEU 23 H LEU 23 5.005 2.190 5.687
133 HA LEU 23 HA LEU 23 5.006 -0.677 5.007
134 HB2 LEU 23 2HB LEU 23 2.729 1.305 4.870
135 HB3 LEU 23 3HB LEU 23 2.638 -0.364 4.350
136 HG LEU 23 HG LEU 23 3.336 0.319 7.195
137 HD11 LEU 23 1HD1 LEU 23 0.972 0.133 7.763
138 HD12 LEU 23 2HD1 LEU 23 0.563 -0.002 6.053
139 HD13 LEU 23 3HD1 LEU 23 1.257 1.495 6.679
140 HD21 LEU 23 3HD2 LEU 23 1.934 -2.065 5.992
141 HD22 LEU 23 1HD2 LEU 23 2.483 -1.882 7.658
142 HD23 LEU 23 2HD2 LEU 23 3.660 -1.999 6.350
143 H THR 24 H THR 24 4.721 -1.294 2.845
144 HA THR 24 HA THR 24 4.947 0.797 0.810
145 HB THR 24 HB THR 24 7.259 0.153 1.265
146 HG1 THR 24 HG1 THR 24 7.436 -1.004 -1.043
147 HG21 THR 24 3HG2 THR 24 6.943 -2.115 2.124
148 HG22 THR 24 1HG2 THR 24 8.095 -2.114 0.788
149 HG23 THR 24 2HG2 THR 24 6.441 -2.665 0.527
150 H CYS 25 H CYS 25 4.370 0.139 -1.326
151 HA CYS 25 HA CYS 25 2.447 -2.062 -1.362
152 HB2 CYS 25 2HB CYS 25 2.882 0.348 -3.119
153 HB3 CYS 25 3HB CYS 25 1.823 -0.968 -3.599
154 H ILE 26 H ILE 26 2.936 -3.940 -2.291
155 HA ILE 26 HA ILE 26 4.993 -3.999 -4.396
156 HB ILE 26 HB ILE 26 4.669 -6.095 -2.224
157 HG12 ILE 26 2HG1 ILE 26 7.181 -4.520 -2.570
158 HG13 ILE 26 3HG1 ILE 26 5.816 -3.711 -1.810
159 HG21 ILE 26 1HG2 ILE 26 6.727 -5.898 -4.432
160 HG22 ILE 26 2HG2 ILE 26 5.401 -7.058 -4.359
161 HG23 ILE 26 3HG2 ILE 26 6.689 -7.116 -3.156
162 HD11 ILE 26 3HD1 ILE 26 7.354 -4.696 -0.180
163 HD12 ILE 26 1HD1 ILE 26 7.050 -6.291 -0.868
164 HD13 ILE 26 2HD1 ILE 26 5.743 -5.406 -0.084
165 HA PRO 27 HA PRO 27 5.502 -4.806 -6.259
166 HB2 PRO 27 2HB PRO 27 4.173 -4.528 -8.807
167 HB3 PRO 27 3HB PRO 27 5.444 -5.673 -8.353
168 HG2 PRO 27 2HG PRO 27 2.869 -6.376 -8.943
169 HG3 PRO 27 3HG PRO 27 3.976 -7.342 -7.947
170 HD2 PRO 27 2HD PRO 27 1.745 -5.557 -7.107
171 HD3 PRO 27 3HD PRO 27 2.295 -7.089 -6.400
172 H GLY 28 H GLY 28 2.266 -3.547 -7.060
173 HA2 GLY 28 2HA GLY 28 1.492 -1.367 -6.679
174 HA3 GLY 28 3HA GLY 28 3.147 -0.842 -6.427
175 H ASN 29 H ASN 29 2.060 -2.689 -9.236
176 HA ASN 29 HA ASN 29 2.000 -0.297 -10.890
177 HB2 ASN 29 2HB ASN 29 3.574 -1.363 -12.577
178 HB3 ASN 29 3HB ASN 29 4.304 -0.730 -11.110
179 HD21 ASN 29 1HD2 ASN 29 5.199 -2.146 -9.623
180 HD22 ASN 29 2HD2 ASN 29 5.517 -3.803 -9.995
181 HA PRO 30 HA PRO 30 0.134 0.228 -10.769
182 HB2 PRO 30 2HB PRO 30 -2.569 0.288 -10.918
183 HB3 PRO 30 3HB PRO 30 -1.529 0.681 -12.296
184 HG2 PRO 30 2HG PRO 30 -3.200 -1.688 -11.841
185 HG3 PRO 30 3HG PRO 30 -2.592 -1.005 -13.357
186 HD2 PRO 30 2HD PRO 30 -1.549 -3.236 -11.900
187 HD3 PRO 30 3HD PRO 30 -0.923 -2.524 -13.397
188 H ASP 31 H ASP 31 -1.410 -2.821 -9.986
189 HA ASP 31 HA ASP 31 -2.294 -1.968 -7.358
190 HB2 ASP 31 2HB ASP 31 -2.429 -4.615 -8.810
191 HB3 ASP 31 3HB ASP 31 -3.008 -4.389 -7.163
192 H GLY 32 H GLY 32 -1.576 -2.819 -5.399
193 HA2 GLY 32 2HA GLY 32 0.807 -4.500 -5.357
194 HA3 GLY 32 3HA GLY 32 0.985 -2.878 -4.709
195 H THR 33 H THR 33 1.590 -4.587 -2.924
196 HA THR 33 HA THR 33 -0.791 -4.887 -1.205
197 HB THR 33 HB THR 33 1.570 -6.685 -0.809
198 HG1 THR 33 HG1 THR 33 -0.476 -7.106 -2.752
199 HG21 THR 33 3HG2 THR 33 -0.160 -8.244 -0.030
200 HG22 THR 33 1HG2 THR 33 -1.409 -7.078 -0.467
201 HG23 THR 33 2HG2 THR 33 -0.263 -6.703 0.820
202 H CYS 34 H CYS 34 -0.583 -4.242 0.919
203 HA CYS 34 HA CYS 34 1.688 -2.520 1.484
204 HB2 CYS 34 2HB CYS 34 -0.972 -2.948 2.816
205 HB3 CYS 34 3HB CYS 34 0.304 -2.023 3.600
206 H TYR 35 H TYR 35 3.437 -3.321 2.324
207 HA TYR 35 HA TYR 35 3.249 -5.289 4.508
208 HB2 TYR 35 2HB TYR 35 5.071 -5.252 2.121
209 HB3 TYR 35 3HB TYR 35 5.605 -6.001 3.619
210 HD1 TYR 35 HD2 TYR 35 4.076 -7.846 4.609
211 HD2 TYR 35 HD1 TYR 35 3.803 -6.478 0.585
212 HE1 TYR 35 HE2 TYR 35 2.925 -9.926 3.985
213 HE2 TYR 35 HE1 TYR 35 2.654 -8.558 -0.045
214 HH TYR 35 HH TYR 35 1.405 -10.736 2.234
215 H TYR 36 H TYR 36 5.075 -5.240 6.021
216 HA TYR 36 HA TYR 36 5.947 -2.495 6.510
217 HB2 TYR 36 2HB TYR 36 4.851 -4.092 8.250
218 HB3 TYR 36 3HB TYR 36 6.453 -4.809 8.361
219 HD1 TYR 36 HD2 TYR 36 4.441 -1.817 9.048
220 HD2 TYR 36 HD1 TYR 36 8.281 -3.613 9.404
221 HE1 TYR 36 HE2 TYR 36 5.100 -0.078 10.656
222 HE2 TYR 36 HE1 TYR 36 8.950 -1.879 11.014
223 HH TYR 36 HH TYR 36 8.315 0.419 11.615
224 H LEU 37 H LEU 37 8.006 -1.812 6.424
225 HA LEU 37 HA LEU 37 10.028 -3.695 5.449
226 HB2 LEU 37 2HB LEU 37 9.836 -0.689 5.381
227 HB3 LEU 37 3HB LEU 37 11.313 -1.538 4.974
228 HG LEU 37 HG LEU 37 8.782 -2.233 3.536
229 HD11 LEU 37 1HD1 LEU 37 9.416 -0.510 1.835
230 HD12 LEU 37 2HD1 LEU 37 10.523 0.170 3.028
231 HD13 LEU 37 3HD1 LEU 37 8.789 0.142 3.349
232 HD21 LEU 37 3HD2 LEU 37 10.348 -2.712 1.715
233 HD22 LEU 37 1HD2 LEU 37 10.769 -3.609 3.175
234 HD23 LEU 37 2HD2 LEU 37 11.690 -2.174 2.725
Start of MODEL 12
1 H1 PCA 1 H PCA 1 -8.554 11.605 3.976
2 HA PCA 1 HA PCA 1 -6.576 10.685 3.022
3 HB2 PCA 1 3HB PCA 1 -5.256 10.589 5.025
4 HB3 PCA 1 2HB PCA 1 -5.651 8.827 4.978
5 HG2 PCA 1 3HG PCA 1 -6.583 9.924 6.996
6 HG3 PCA 1 2HG PCA 1 -5.705 11.392 6.493
7 H GLY 2 H GLY 2 -6.476 8.872 1.730
8 HA2 GLY 2 2HA GLY 2 -8.285 6.624 2.378
9 HA3 GLY 2 3HA GLY 2 -8.162 7.291 0.757
10 H CYS 3 H CYS 3 -5.873 6.202 3.264
11 HA CYS 3 HA CYS 3 -4.311 4.840 1.190
12 HB2 CYS 3 2HB CYS 3 -2.508 4.769 2.849
13 HB3 CYS 3 3HB CYS 3 -3.093 6.413 2.623
14 H ALA 4 H ALA 4 -3.477 2.684 1.588
15 HA ALA 4 HA ALA 4 -5.467 1.000 2.897
16 HB1 ALA 4 3HB ALA 4 -3.152 -0.167 1.455
17 HB2 ALA 4 1HB ALA 4 -4.367 0.699 0.512
18 HB3 ALA 4 2HB ALA 4 -4.836 -0.686 1.499
19 H PHE 5 H PHE 5 -5.037 -0.538 4.423
20 HA PHE 5 HA PHE 5 -2.778 -0.034 6.170
21 HB2 PHE 5 2HB PHE 5 -4.815 -2.206 6.621
22 HB3 PHE 5 3HB PHE 5 -3.946 -1.244 7.810
23 HD1 PHE 5 HD2 PHE 5 -4.689 1.021 8.358
24 HD2 PHE 5 HD1 PHE 5 -6.814 -1.410 5.587
25 HE1 PHE 5 HE2 PHE 5 -6.619 2.541 8.506
26 HE2 PHE 5 HE1 PHE 5 -8.743 0.106 5.727
27 HZ PHE 5 HZ PHE 5 -8.641 2.081 7.182
28 H GLU 6 H GLU 6 -1.880 -2.204 7.231
29 HA GLU 6 HA GLU 6 -0.392 -3.548 5.190
30 HB2 GLU 6 2HB GLU 6 0.381 -2.901 7.552
31 HB3 GLU 6 3HB GLU 6 -0.486 -4.324 8.102
32 HG2 GLU 6 2HG GLU 6 0.925 -5.717 6.633
33 HG3 GLU 6 3HG GLU 6 1.828 -4.276 6.172
34 H GLY 7 H GLY 7 -0.607 -5.547 4.358
35 HA2 GLY 7 2HA GLY 7 -1.277 -7.814 4.333
36 HA3 GLY 7 3HA GLY 7 -2.456 -7.461 5.580
37 H GLU 8 H GLU 8 -2.605 -5.159 3.090
38 HA GLU 8 HA GLU 8 -4.612 -6.708 1.614
39 HB2 GLU 8 2HB GLU 8 -6.147 -4.771 1.575
40 HB3 GLU 8 3HB GLU 8 -5.881 -5.383 3.197
41 HG2 GLU 8 2HG GLU 8 -4.356 -3.534 3.655
42 HG3 GLU 8 3HG GLU 8 -4.591 -2.932 2.014
43 H SER 9 H SER 9 -5.405 -5.233 -0.354
44 HA SER 9 HA SER 9 -3.005 -4.724 -1.910
45 HB2 SER 9 2HB SER 9 -4.621 -4.572 -3.826
46 HB3 SER 9 3HB SER 9 -4.665 -6.109 -2.964
47 HG SER 9 HG SER 9 -6.764 -5.308 -3.352
48 H CYS 10 H CYS 10 -2.551 -2.844 -3.021
49 HA CYS 10 HA CYS 10 -4.124 -0.442 -2.423
50 HB2 CYS 10 2HB CYS 10 -1.905 0.768 -2.026
51 HB3 CYS 10 3HB CYS 10 -2.449 -0.311 -0.747
52 H ASN 11 H ASN 11 -4.444 0.768 -4.179
53 HA ASN 11 HA ASN 11 -2.883 0.194 -6.594
54 HB2 ASN 11 2HB ASN 11 -5.664 1.068 -6.081
55 HB3 ASN 11 3HB ASN 11 -4.885 1.769 -7.496
56 HD21 ASN 11 1HD2 ASN 11 -4.185 0.403 -9.161
57 HD22 ASN 11 2HD2 ASN 11 -4.844 -1.182 -9.360
58 H VAL 12 H VAL 12 -1.336 1.524 -7.178
59 HA VAL 12 HA VAL 12 -0.885 4.025 -5.867
60 HB VAL 12 HB VAL 12 1.080 4.261 -7.362
61 HG11 VAL 12 1HG1 VAL 12 0.833 1.530 -6.111
62 HG12 VAL 12 2HG1 VAL 12 1.245 3.020 -5.261
63 HG13 VAL 12 3HG1 VAL 12 2.335 2.374 -6.487
64 HG21 VAL 12 3HG2 VAL 12 1.713 2.428 -8.872
65 HG22 VAL 12 1HG2 VAL 12 0.221 3.212 -9.392
66 HG23 VAL 12 2HG2 VAL 12 0.159 1.650 -8.576
67 H GLN 13 H GLN 13 -3.214 3.532 -7.967
68 HA GLN 13 HA GLN 13 -2.733 5.904 -9.630
69 HB2 GLN 13 2HB GLN 13 -3.485 3.546 -10.509
70 HB3 GLN 13 3HB GLN 13 -5.075 4.067 -9.981
71 HG2 GLN 13 2HG GLN 13 -5.038 4.640 -12.226
72 HG3 GLN 13 3HG GLN 13 -4.649 6.156 -11.417
73 HE21 GLN 13 1HE2 GLN 13 -3.440 3.551 -13.373
74 HE22 GLN 13 2HE2 GLN 13 -1.967 4.318 -13.849
75 H PHE 14 H PHE 14 -4.816 4.645 -7.098
76 HA PHE 14 HA PHE 14 -5.978 7.290 -6.724
77 HB2 PHE 14 2HB PHE 14 -8.302 6.063 -6.454
78 HB3 PHE 14 3HB PHE 14 -7.752 6.602 -8.036
79 HD1 PHE 14 HD1 PHE 14 -8.308 3.692 -5.877
80 HD2 PHE 14 HD2 PHE 14 -7.119 5.036 -9.731
81 HE1 PHE 14 HE1 PHE 14 -8.482 1.390 -6.727
82 HE2 PHE 14 HE2 PHE 14 -7.294 2.739 -10.592
83 HZ PHE 14 HZ PHE 14 -7.968 0.915 -9.086
84 H TYR 15 H TYR 15 -5.299 4.082 -5.490
85 HA TYR 15 HA TYR 15 -5.958 5.059 -2.787
86 HB2 TYR 15 2HB TYR 15 -7.505 3.253 -3.820
87 HB3 TYR 15 3HB TYR 15 -6.170 2.150 -3.521
88 HD1 TYR 15 HD1 TYR 15 -8.503 4.513 -1.841
89 HD2 TYR 15 HD2 TYR 15 -5.858 1.209 -1.388
90 HE1 TYR 15 HE1 TYR 15 -9.297 4.200 0.465
91 HE2 TYR 15 HE2 TYR 15 -6.648 0.889 0.918
92 HH TYR 15 HH TYR 15 -7.710 2.205 2.702
93 HA PRO 16 HA PRO 16 -1.496 3.843 -2.703
94 HB2 PRO 16 2HB PRO 16 -0.622 5.889 -1.146
95 HB3 PRO 16 3HB PRO 16 -0.863 6.061 -2.894
96 HG2 PRO 16 2HG PRO 16 -2.581 6.987 -0.655
97 HG3 PRO 16 3HG PRO 16 -2.226 7.767 -2.208
98 HD2 PRO 16 2HD PRO 16 -4.539 6.375 -1.658
99 HD3 PRO 16 3HD PRO 16 -3.899 6.663 -3.285
100 H CYS 17 H CYS 17 0.014 3.631 -0.679
101 HA CYS 17 HA CYS 17 -1.503 2.232 1.379
102 HB2 CYS 17 2HB CYS 17 0.583 1.313 0.187
103 HB3 CYS 17 3HB CYS 17 1.500 2.414 1.208
104 H CYS 18 H CYS 18 -0.947 2.503 3.684
105 HA CYS 18 HA CYS 18 -0.897 5.296 4.399
106 HB2 CYS 18 2HB CYS 18 -1.050 2.817 6.124
107 HB3 CYS 18 3HB CYS 18 -1.236 4.464 6.712
108 HA PRO 19 HA PRO 19 3.590 5.058 5.122
109 HB2 PRO 19 2HB PRO 19 4.137 7.675 4.780
110 HB3 PRO 19 3HB PRO 19 3.794 6.608 3.406
111 HG2 PRO 19 2HG PRO 19 2.058 8.639 4.693
112 HG3 PRO 19 3HG PRO 19 2.176 8.165 2.988
113 HD2 PRO 19 2HD PRO 19 0.215 7.307 4.783
114 HD3 PRO 19 3HD PRO 19 0.595 6.559 3.221
115 H GLY 20 H GLY 20 5.113 6.451 6.575
116 HA2 GLY 20 2HA GLY 20 5.388 7.793 8.535
117 HA3 GLY 20 3HA GLY 20 3.717 7.459 8.960
118 H LEU 21 H LEU 21 3.775 4.645 8.606
119 HA LEU 21 HA LEU 21 5.143 3.888 11.062
120 HB2 LEU 21 2HB LEU 21 3.161 2.418 9.323
121 HB3 LEU 21 3HB LEU 21 3.869 1.747 10.777
122 HG LEU 21 HG LEU 21 2.865 3.957 11.860
123 HD11 LEU 21 1HD1 LEU 21 1.046 3.441 9.509
124 HD12 LEU 21 2HD1 LEU 21 2.029 4.883 9.768
125 HD13 LEU 21 3HD1 LEU 21 0.700 4.513 10.866
126 HD21 LEU 21 3HD2 LEU 21 0.874 2.653 12.455
127 HD22 LEU 21 1HD2 LEU 21 2.349 1.691 12.559
128 HD23 LEU 21 2HD2 LEU 21 1.263 1.494 11.183
129 H GLY 22 H GLY 22 5.191 3.106 7.623
130 HA2 GLY 22 2HA GLY 22 7.466 2.573 6.753
131 HA3 GLY 22 3HA GLY 22 7.584 1.430 8.082
132 H LEU 23 H LEU 23 5.061 2.154 5.676
133 HA LEU 23 HA LEU 23 4.993 -0.713 4.996
134 HB2 LEU 23 2HB LEU 23 2.774 1.329 4.804
135 HB3 LEU 23 3HB LEU 23 2.646 -0.348 4.319
136 HG LEU 23 HG LEU 23 3.321 0.380 7.158
137 HD11 LEU 23 1HD1 LEU 23 0.945 0.270 7.695
138 HD12 LEU 23 2HD1 LEU 23 0.558 0.112 5.982
139 HD13 LEU 23 3HD1 LEU 23 1.284 1.600 6.588
140 HD21 LEU 23 3HD2 LEU 23 1.872 -1.991 5.987
141 HD22 LEU 23 1HD2 LEU 23 2.403 -1.786 7.656
142 HD23 LEU 23 2HD2 LEU 23 3.593 -1.963 6.367
143 H THR 24 H THR 24 4.742 -1.324 2.832
144 HA THR 24 HA THR 24 5.030 0.760 0.797
145 HB THR 24 HB THR 24 7.324 0.089 1.266
146 HG1 THR 24 HG1 THR 24 6.826 -1.236 -1.154
147 HG21 THR 24 3HG2 THR 24 8.132 -2.199 0.831
148 HG22 THR 24 1HG2 THR 24 6.469 -2.732 0.584
149 HG23 THR 24 2HG2 THR 24 6.983 -2.154 2.168
150 H CYS 25 H CYS 25 4.416 0.148 -1.321
151 HA CYS 25 HA CYS 25 2.493 -2.052 -1.392
152 HB2 CYS 25 2HB CYS 25 2.919 0.400 -3.091
153 HB3 CYS 25 3HB CYS 25 1.879 -0.913 -3.620
154 H ILE 26 H ILE 26 2.984 -3.913 -2.348
155 HA ILE 26 HA ILE 26 5.031 -3.936 -4.462
156 HB ILE 26 HB ILE 26 4.716 -6.056 -2.313
157 HG12 ILE 26 2HG1 ILE 26 7.233 -4.495 -2.666
158 HG13 ILE 26 3HG1 ILE 26 5.877 -3.674 -1.904
159 HG21 ILE 26 1HG2 ILE 26 5.426 -7.006 -4.460
160 HG22 ILE 26 2HG2 ILE 26 6.723 -7.078 -3.268
161 HG23 ILE 26 3HG2 ILE 26 6.758 -5.851 -4.534
162 HD11 ILE 26 3HD1 ILE 26 5.800 -5.338 -0.163
163 HD12 ILE 26 1HD1 ILE 26 7.431 -4.684 -0.289
164 HD13 ILE 26 2HD1 ILE 26 7.065 -6.274 -0.959
165 HA PRO 27 HA PRO 27 5.530 -4.695 -6.340
166 HB2 PRO 27 2HB PRO 27 4.182 -4.376 -8.877
167 HB3 PRO 27 3HB PRO 27 5.470 -5.514 -8.453
168 HG2 PRO 27 2HG PRO 27 2.909 -6.246 -9.043
169 HG3 PRO 27 3HG PRO 27 4.026 -7.207 -8.053
170 HD2 PRO 27 2HD PRO 27 1.780 -5.445 -7.201
171 HD3 PRO 27 3HD PRO 27 2.328 -6.988 -6.515
172 H GLY 28 H GLY 28 2.284 -3.431 -7.119
173 HA2 GLY 28 2HA GLY 28 1.508 -1.259 -6.683
174 HA3 GLY 28 3HA GLY 28 3.166 -0.736 -6.433
175 H ASN 29 H ASN 29 2.122 -2.554 -9.261
176 HA ASN 29 HA ASN 29 2.022 -0.144 -10.890
177 HB2 ASN 29 2HB ASN 29 3.606 -1.182 -12.587
178 HB3 ASN 29 3HB ASN 29 4.332 -0.552 -11.117
179 HD21 ASN 29 1HD2 ASN 29 5.251 -1.966 -9.648
180 HD22 ASN 29 2HD2 ASN 29 5.583 -3.618 -10.029
181 HA PRO 30 HA PRO 30 0.160 0.372 -10.780
182 HB2 PRO 30 2HB PRO 30 -2.540 0.420 -10.929
183 HB3 PRO 30 3HB PRO 30 -1.503 0.811 -12.311
184 HG2 PRO 30 2HG PRO 30 -3.161 -1.567 -11.839
185 HG3 PRO 30 3HG PRO 30 -2.567 -0.884 -13.361
186 HD2 PRO 30 2HD PRO 30 -1.500 -3.105 -11.908
187 HD3 PRO 30 3HD PRO 30 -0.883 -2.386 -13.406
188 H ASP 31 H ASP 31 -1.358 -2.688 -9.983
189 HA ASP 31 HA ASP 31 -2.152 -1.776 -7.335
190 HB2 ASP 31 2HB ASP 31 -3.132 -4.088 -7.122
191 HB3 ASP 31 3HB ASP 31 -3.812 -3.107 -8.413
192 H GLY 32 H GLY 32 -1.546 -2.840 -5.402
193 HA2 GLY 32 2HA GLY 32 0.708 -4.668 -5.429
194 HA3 GLY 32 3HA GLY 32 1.052 -3.072 -4.782
195 H THR 33 H THR 33 1.585 -4.637 -2.954
196 HA THR 33 HA THR 33 -0.784 -4.880 -1.213
197 HB THR 33 HB THR 33 1.535 -6.719 -0.787
198 HG1 THR 33 HG1 THR 33 0.156 -6.665 -3.087
199 HG21 THR 33 3HG2 THR 33 -0.312 -6.679 0.821
200 HG22 THR 33 1HG2 THR 33 -0.235 -8.234 -0.009
201 HG23 THR 33 2HG2 THR 33 -1.454 -7.046 -0.472
202 H CYS 34 H CYS 34 -0.504 -4.300 0.942
203 HA CYS 34 HA CYS 34 1.785 -2.572 1.442
204 HB2 CYS 34 2HB CYS 34 -0.839 -2.981 2.856
205 HB3 CYS 34 3HB CYS 34 0.459 -2.030 3.568
206 H TYR 35 H TYR 35 3.538 -3.352 2.293
207 HA TYR 35 HA TYR 35 3.359 -5.347 4.455
208 HB2 TYR 35 2HB TYR 35 5.192 -5.259 2.076
209 HB3 TYR 35 3HB TYR 35 5.726 -6.023 3.566
210 HD1 TYR 35 HD1 TYR 35 4.246 -7.912 4.516
211 HD2 TYR 35 HD2 TYR 35 3.909 -6.459 0.526
212 HE1 TYR 35 HE1 TYR 35 3.121 -9.995 3.857
213 HE2 TYR 35 HE2 TYR 35 2.781 -8.540 -0.137
214 HH TYR 35 HH TYR 35 1.589 -10.786 2.105
215 H TYR 36 H TYR 36 5.129 -5.282 6.002
216 HA TYR 36 HA TYR 36 5.993 -2.541 6.514
217 HB2 TYR 36 2HB TYR 36 4.863 -4.106 8.237
218 HB3 TYR 36 3HB TYR 36 6.434 -4.888 8.351
219 HD1 TYR 36 HD1 TYR 36 4.589 -1.751 8.968
220 HD2 TYR 36 HD2 TYR 36 8.246 -3.855 9.525
221 HE1 TYR 36 HE1 TYR 36 5.303 -0.067 10.612
222 HE2 TYR 36 HE2 TYR 36 8.969 -2.176 11.169
223 HH TYR 36 HH TYR 36 8.493 0.168 11.739
224 H LEU 37 H LEU 37 8.039 -1.846 6.422
225 HA LEU 37 HA LEU 37 10.091 -3.724 5.503
226 HB2 LEU 37 2HB LEU 37 9.873 -0.720 5.393
227 HB3 LEU 37 3HB LEU 37 11.361 -1.563 5.012
228 HG LEU 37 HG LEU 37 8.850 -2.294 3.556
229 HD11 LEU 37 1HD1 LEU 37 10.590 0.105 3.019
230 HD12 LEU 37 2HD1 LEU 37 8.857 0.086 3.348
231 HD13 LEU 37 3HD1 LEU 37 9.477 -0.590 1.842
232 HD21 LEU 37 3HD2 LEU 37 10.437 -2.790 1.759
233 HD22 LEU 37 1HD2 LEU 37 10.851 -3.662 3.236
234 HD23 LEU 37 2HD2 LEU 37 11.766 -2.227 2.773
Start of MODEL 13
1 H1 PCA 1 H PCA 1 -9.051 11.369 3.391
2 HA PCA 1 HA PCA 1 -6.518 10.731 2.858
3 HB2 PCA 1 3HB PCA 1 -5.722 10.793 5.122
4 HB3 PCA 1 2HB PCA 1 -6.303 9.083 5.174
5 HG2 PCA 1 3HG PCA 1 -7.541 10.523 6.767
6 HG3 PCA 1 2HG PCA 1 -6.400 11.824 6.337
7 H GLY 2 H GLY 2 -6.298 8.721 1.894
8 HA2 GLY 2 2HA GLY 2 -8.253 6.616 2.474
9 HA3 GLY 2 3HA GLY 2 -8.184 7.239 0.833
10 H CYS 3 H CYS 3 -5.860 6.178 3.320
11 HA CYS 3 HA CYS 3 -4.302 4.827 1.236
12 HB2 CYS 3 2HB CYS 3 -2.495 4.749 2.890
13 HB3 CYS 3 3HB CYS 3 -3.081 6.394 2.672
14 H ALA 4 H ALA 4 -3.461 2.670 1.626
15 HA ALA 4 HA ALA 4 -5.447 0.977 2.929
16 HB1 ALA 4 3HB ALA 4 -3.131 -0.183 1.484
17 HB2 ALA 4 1HB ALA 4 -4.343 0.689 0.543
18 HB3 ALA 4 2HB ALA 4 -4.816 -0.700 1.522
19 H PHE 5 H PHE 5 -5.015 -0.564 4.450
20 HA PHE 5 HA PHE 5 -2.754 -0.064 6.197
21 HB2 PHE 5 2HB PHE 5 -4.788 -2.240 6.641
22 HB3 PHE 5 3HB PHE 5 -3.920 -1.282 7.834
23 HD1 PHE 5 HD2 PHE 5 -4.664 0.980 8.392
24 HD2 PHE 5 HD1 PHE 5 -6.789 -1.442 5.613
25 HE1 PHE 5 HE2 PHE 5 -6.594 2.498 8.547
26 HE2 PHE 5 HE1 PHE 5 -8.719 0.071 5.761
27 HZ PHE 5 HZ PHE 5 -8.618 2.041 7.223
28 H GLU 6 H GLU 6 -1.858 -2.241 7.251
29 HA GLU 6 HA GLU 6 -0.367 -3.573 5.203
30 HB2 GLU 6 2HB GLU 6 0.401 -2.934 7.572
31 HB3 GLU 6 3HB GLU 6 -0.457 -4.368 8.109
32 HG2 GLU 6 2HG GLU 6 0.963 -5.742 6.635
33 HG3 GLU 6 3HG GLU 6 1.853 -4.292 6.175
34 H GLY 7 H GLY 7 -0.583 -5.565 4.357
35 HA2 GLY 7 2HA GLY 7 -1.248 -7.833 4.318
36 HA3 GLY 7 3HA GLY 7 -2.421 -7.493 5.574
37 H GLU 8 H GLU 8 -2.575 -5.182 3.085
38 HA GLU 8 HA GLU 8 -4.598 -6.723 1.621
39 HB2 GLU 8 2HB GLU 8 -6.128 -4.783 1.594
40 HB3 GLU 8 3HB GLU 8 -5.853 -5.396 3.214
41 HG2 GLU 8 2HG GLU 8 -4.322 -3.549 3.662
42 HG3 GLU 8 3HG GLU 8 -4.564 -2.948 2.022
43 H SER 9 H SER 9 -5.397 -5.247 -0.342
44 HA SER 9 HA SER 9 -3.004 -4.738 -1.911
45 HB2 SER 9 2HB SER 9 -5.919 -4.822 -2.720
46 HB3 SER 9 3HB SER 9 -4.559 -4.660 -3.830
47 HG SER 9 HG SER 9 -5.599 -6.876 -3.088
48 H CYS 10 H CYS 10 -2.541 -2.853 -2.997
49 HA CYS 10 HA CYS 10 -4.128 -0.458 -2.406
50 HB2 CYS 10 2HB CYS 10 -1.915 0.759 -2.000
51 HB3 CYS 10 3HB CYS 10 -2.456 -0.326 -0.725
52 H ASN 11 H ASN 11 -4.435 0.769 -4.154
53 HA ASN 11 HA ASN 11 -2.871 0.197 -6.568
54 HB2 ASN 11 2HB ASN 11 -5.654 1.069 -6.061
55 HB3 ASN 11 3HB ASN 11 -4.871 1.773 -7.472
56 HD21 ASN 11 1HD2 ASN 11 -4.167 0.410 -9.139
57 HD22 ASN 11 2HD2 ASN 11 -4.825 -1.174 -9.343
58 H VAL 12 H VAL 12 -1.327 1.528 -7.152
59 HA VAL 12 HA VAL 12 -0.874 4.025 -5.833
60 HB VAL 12 HB VAL 12 1.088 4.268 -7.333
61 HG11 VAL 12 1HG1 VAL 12 0.849 1.535 -6.083
62 HG12 VAL 12 2HG1 VAL 12 1.257 3.025 -5.232
63 HG13 VAL 12 3HG1 VAL 12 2.348 2.384 -6.461
64 HG21 VAL 12 3HG2 VAL 12 0.225 3.219 -9.361
65 HG22 VAL 12 1HG2 VAL 12 0.167 1.656 -8.545
66 HG23 VAL 12 2HG2 VAL 12 1.720 2.437 -8.845
67 H GLN 13 H GLN 13 -3.204 3.538 -7.933
68 HA GLN 13 HA GLN 13 -2.726 5.915 -9.589
69 HB2 GLN 13 2HB GLN 13 -3.476 3.561 -10.476
70 HB3 GLN 13 3HB GLN 13 -5.066 4.077 -9.944
71 HG2 GLN 13 2HG GLN 13 -5.032 4.657 -12.187
72 HG3 GLN 13 3HG GLN 13 -4.646 6.172 -11.373
73 HE21 GLN 13 1HE2 GLN 13 -3.433 3.577 -13.340
74 HE22 GLN 13 2HE2 GLN 13 -1.962 4.349 -13.814
75 H PHE 14 H PHE 14 -4.812 4.644 -7.064
76 HA PHE 14 HA PHE 14 -5.976 7.287 -6.681
77 HB2 PHE 14 2HB PHE 14 -8.298 6.056 -6.414
78 HB3 PHE 14 3HB PHE 14 -7.749 6.600 -7.994
79 HD1 PHE 14 HD2 PHE 14 -8.297 3.683 -5.843
80 HD2 PHE 14 HD1 PHE 14 -7.113 5.040 -9.695
81 HE1 PHE 14 HE2 PHE 14 -8.472 1.384 -6.700
82 HE2 PHE 14 HE1 PHE 14 -7.281 2.744 -10.561
83 HZ PHE 14 HZ PHE 14 -7.953 0.915 -9.059
84 H TYR 15 H TYR 15 -5.291 4.078 -5.454
85 HA TYR 15 HA TYR 15 -5.952 5.049 -2.750
86 HB2 TYR 15 2HB TYR 15 -7.497 3.243 -3.784
87 HB3 TYR 15 3HB TYR 15 -6.160 2.140 -3.491
88 HD1 TYR 15 HD1 TYR 15 -8.494 4.495 -1.800
89 HD2 TYR 15 HD2 TYR 15 -5.841 1.195 -1.360
90 HE1 TYR 15 HE1 TYR 15 -9.283 4.175 0.506
91 HE2 TYR 15 HE2 TYR 15 -6.626 0.868 0.946
92 HH TYR 15 HH TYR 15 -7.687 2.177 2.735
93 HA PRO 16 HA PRO 16 -1.487 3.839 -2.669
94 HB2 PRO 16 2HB PRO 16 -0.617 5.884 -1.109
95 HB3 PRO 16 3HB PRO 16 -0.858 6.058 -2.857
96 HG2 PRO 16 2HG PRO 16 -2.576 6.978 -0.616
97 HG3 PRO 16 3HG PRO 16 -2.223 7.761 -2.168
98 HD2 PRO 16 2HD PRO 16 -4.534 6.365 -1.619
99 HD3 PRO 16 3HD PRO 16 -3.895 6.656 -3.246
100 H CYS 17 H CYS 17 0.023 3.620 -0.650
101 HA CYS 17 HA CYS 17 -1.491 2.218 1.408
102 HB2 CYS 17 2HB CYS 17 0.597 1.307 0.209
103 HB3 CYS 17 3HB CYS 17 1.512 2.403 1.239
104 H CYS 18 H CYS 18 -0.926 2.483 3.714
105 HA CYS 18 HA CYS 18 -0.881 5.275 4.435
106 HB2 CYS 18 2HB CYS 18 -1.022 2.791 6.153
107 HB3 CYS 18 3HB CYS 18 -1.209 4.437 6.747
108 HA PRO 19 HA PRO 19 3.610 5.048 5.138
109 HB2 PRO 19 2HB PRO 19 4.147 7.668 4.802
110 HB3 PRO 19 3HB PRO 19 3.803 6.604 3.426
111 HG2 PRO 19 2HG PRO 19 2.065 8.625 4.725
112 HG3 PRO 19 3HG PRO 19 2.178 8.156 3.019
113 HD2 PRO 19 2HD PRO 19 0.226 7.288 4.819
114 HD3 PRO 19 3HD PRO 19 0.602 6.545 3.254
115 H GLY 20 H GLY 20 5.135 6.443 6.586
116 HA2 GLY 20 2HA GLY 20 5.429 7.765 8.552
117 HA3 GLY 20 3HA GLY 20 3.754 7.454 8.976
118 H LEU 21 H LEU 21 3.787 4.635 8.607
119 HA LEU 21 HA LEU 21 5.131 3.856 11.070
120 HB2 LEU 21 2HB LEU 21 3.158 2.398 9.310
121 HB3 LEU 21 3HB LEU 21 3.837 1.735 10.782
122 HG LEU 21 HG LEU 21 2.411 4.353 10.942
123 HD11 LEU 21 1HD1 LEU 21 1.040 1.673 10.764
124 HD12 LEU 21 2HD1 LEU 21 0.910 2.993 9.600
125 HD13 LEU 21 3HD1 LEU 21 0.273 3.191 11.233
126 HD21 LEU 21 3HD2 LEU 21 1.787 3.481 13.142
127 HD22 LEU 21 1HD2 LEU 21 3.535 3.449 12.914
128 HD23 LEU 21 2HD2 LEU 21 2.600 1.960 12.774
129 H GLY 22 H GLY 22 5.197 3.091 7.628
130 HA2 GLY 22 2HA GLY 22 7.468 2.540 6.766
131 HA3 GLY 22 3HA GLY 22 7.574 1.395 8.096
132 H LEU 23 H LEU 23 5.066 2.136 5.680
133 HA LEU 23 HA LEU 23 4.988 -0.729 4.992
134 HB2 LEU 23 2HB LEU 23 2.769 1.315 4.807
135 HB3 LEU 23 3HB LEU 23 2.641 -0.364 4.326
136 HG LEU 23 HG LEU 23 3.319 0.373 7.162
137 HD11 LEU 23 1HD1 LEU 23 1.279 1.587 6.592
138 HD12 LEU 23 2HD1 LEU 23 0.944 0.258 7.702
139 HD13 LEU 23 3HD1 LEU 23 0.555 0.096 5.989
140 HD21 LEU 23 3HD2 LEU 23 1.873 -2.005 6.002
141 HD22 LEU 23 1HD2 LEU 23 2.409 -1.794 7.668
142 HD23 LEU 23 2HD2 LEU 23 3.595 -1.972 6.376
143 H THR 24 H THR 24 4.743 -1.332 2.828
144 HA THR 24 HA THR 24 5.024 0.761 0.801
145 HB THR 24 HB THR 24 7.320 0.096 1.266
146 HG1 THR 24 HG1 THR 24 6.462 0.383 -0.992
147 HG21 THR 24 3HG2 THR 24 6.468 -2.725 0.577
148 HG22 THR 24 1HG2 THR 24 6.992 -2.151 2.160
149 HG23 THR 24 2HG2 THR 24 8.132 -2.191 0.815
150 H CYS 25 H CYS 25 4.404 0.161 -1.316
151 HA CYS 25 HA CYS 25 2.491 -2.047 -1.396
152 HB2 CYS 25 2HB CYS 25 2.903 0.415 -3.084
153 HB3 CYS 25 3HB CYS 25 1.865 -0.899 -3.614
154 H ILE 26 H ILE 26 2.994 -3.902 -2.358
155 HA ILE 26 HA ILE 26 5.031 -3.903 -4.482
156 HB ILE 26 HB ILE 26 4.743 -6.034 -2.340
157 HG12 ILE 26 2HG1 ILE 26 7.246 -4.451 -2.691
158 HG13 ILE 26 3HG1 ILE 26 5.885 -3.642 -1.925
159 HG21 ILE 26 1HG2 ILE 26 6.759 -7.031 -3.307
160 HG22 ILE 26 2HG2 ILE 26 6.774 -5.798 -4.568
161 HG23 ILE 26 3HG2 ILE 26 5.456 -6.968 -4.494
162 HD11 ILE 26 3HD1 ILE 26 7.456 -4.652 -0.320
163 HD12 ILE 26 1HD1 ILE 26 7.083 -6.240 -0.989
164 HD13 ILE 26 2HD1 ILE 26 5.824 -5.303 -0.186
165 HA PRO 27 HA PRO 27 5.530 -4.657 -6.360
166 HB2 PRO 27 2HB PRO 27 4.181 -4.354 -8.896
167 HB3 PRO 27 3HB PRO 27 5.475 -5.485 -8.469
168 HG2 PRO 27 2HG PRO 27 2.916 -6.231 -9.057
169 HG3 PRO 27 3HG PRO 27 4.039 -7.185 -8.068
170 HD2 PRO 27 2HD PRO 27 1.785 -5.432 -7.214
171 HD3 PRO 27 3HD PRO 27 2.341 -6.972 -6.528
172 H GLY 28 H GLY 28 2.271 -3.423 -7.131
173 HA2 GLY 28 2HA GLY 28 1.475 -1.257 -6.720
174 HA3 GLY 28 3HA GLY 28 3.125 -0.719 -6.455
175 H ASN 29 H ASN 29 2.089 -2.548 -9.281
176 HA ASN 29 HA ASN 29 2.031 -0.142 -10.921
177 HB2 ASN 29 2HB ASN 29 3.589 -1.260 -12.614
178 HB3 ASN 29 3HB ASN 29 4.322 -0.580 -11.170
179 HD21 ASN 29 1HD2 ASN 29 3.598 -3.464 -12.935
180 HD22 ASN 29 2HD2 ASN 29 4.553 -4.543 -11.982
181 HA PRO 30 HA PRO 30 0.165 0.388 -10.760
182 HB2 PRO 30 2HB PRO 30 -2.537 0.472 -10.894
183 HB3 PRO 30 3HB PRO 30 -1.501 0.871 -12.275
184 HG2 PRO 30 2HG PRO 30 -3.193 -1.486 -11.835
185 HG3 PRO 30 3HG PRO 30 -2.582 -0.797 -13.347
186 HD2 PRO 30 2HD PRO 30 -1.555 -3.049 -11.907
187 HD3 PRO 30 3HD PRO 30 -0.934 -2.337 -13.407
188 H ASP 31 H ASP 31 -1.391 -2.661 -9.993
189 HA ASP 31 HA ASP 31 -2.174 -1.777 -7.335
190 HB2 ASP 31 2HB ASP 31 -3.144 -4.094 -7.140
191 HB3 ASP 31 3HB ASP 31 -3.827 -3.107 -8.423
192 H GLY 32 H GLY 32 -1.562 -2.848 -5.408
193 HA2 GLY 32 2HA GLY 32 0.694 -4.673 -5.446
194 HA3 GLY 32 3HA GLY 32 1.041 -3.079 -4.798
195 H THR 33 H THR 33 1.580 -4.635 -2.969
196 HA THR 33 HA THR 33 -0.783 -4.885 -1.223
197 HB THR 33 HB THR 33 1.539 -6.722 -0.803
198 HG1 THR 33 HG1 THR 33 1.217 -7.283 -2.880
199 HG21 THR 33 3HG2 THR 33 -0.229 -8.239 -0.023
200 HG22 THR 33 1HG2 THR 33 -1.449 -7.052 -0.483
201 HG23 THR 33 2HG2 THR 33 -0.305 -6.685 0.808
202 H CYS 34 H CYS 34 -0.491 -4.323 0.939
203 HA CYS 34 HA CYS 34 1.794 -2.587 1.432
204 HB2 CYS 34 2HB CYS 34 -0.826 -3.003 2.851
205 HB3 CYS 34 3HB CYS 34 0.473 -2.056 3.567
206 H TYR 35 H TYR 35 3.551 -3.363 2.279
207 HA TYR 35 HA TYR 35 3.383 -5.369 4.431
208 HB2 TYR 35 2HB TYR 35 5.218 -5.256 2.055
209 HB3 TYR 35 3HB TYR 35 5.751 -6.030 3.541
210 HD1 TYR 35 HD1 TYR 35 4.275 -7.931 4.472
211 HD2 TYR 35 HD2 TYR 35 3.943 -6.449 0.493
212 HE1 TYR 35 HE1 TYR 35 3.159 -10.013 3.794
213 HE2 TYR 35 HE2 TYR 35 2.824 -8.528 -0.189
214 HH TYR 35 HH TYR 35 2.668 -10.866 0.549
215 H TYR 36 H TYR 36 5.147 -5.301 5.982
216 HA TYR 36 HA TYR 36 5.999 -2.559 6.505
217 HB2 TYR 36 2HB TYR 36 4.873 -4.144 8.218
218 HB3 TYR 36 3HB TYR 36 6.455 -4.903 8.338
219 HD1 TYR 36 HD2 TYR 36 4.558 -1.800 8.957
220 HD2 TYR 36 HD1 TYR 36 8.251 -3.840 9.515
221 HE1 TYR 36 HE2 TYR 36 5.239 -0.107 10.604
222 HE2 TYR 36 HE1 TYR 36 8.941 -2.151 11.163
223 HH TYR 36 HH TYR 36 6.786 0.098 12.504
224 H LEU 37 H LEU 37 8.041 -1.855 6.413
225 HA LEU 37 HA LEU 37 10.104 -3.722 5.496
226 HB2 LEU 37 2HB LEU 37 9.873 -0.719 5.389
227 HB3 LEU 37 3HB LEU 37 11.365 -1.556 5.008
228 HG LEU 37 HG LEU 37 8.858 -2.296 3.549
229 HD11 LEU 37 1HD1 LEU 37 10.588 0.111 3.013
230 HD12 LEU 37 2HD1 LEU 37 8.856 0.086 3.347
231 HD13 LEU 37 3HD1 LEU 37 9.474 -0.587 1.839
232 HD21 LEU 37 3HD2 LEU 37 10.449 -2.782 1.753
233 HD22 LEU 37 1HD2 LEU 37 10.865 -3.654 3.228
234 HD23 LEU 37 2HD2 LEU 37 11.774 -2.214 2.769
Start of MODEL 14
1 H1 PCA 1 H PCA 1 -9.252 11.381 2.939
2 HA PCA 1 HA PCA 1 -6.947 10.789 1.738
3 HB2 PCA 1 3HB PCA 1 -5.501 11.528 3.507
4 HB3 PCA 1 2HB PCA 1 -5.764 9.866 4.164
5 HG2 PCA 1 3HG PCA 1 -6.648 11.608 5.690
6 HG3 PCA 1 2HG PCA 1 -5.916 12.810 4.595
7 H GLY 2 H GLY 2 -6.729 8.608 1.271
8 HA2 GLY 2 2HA GLY 2 -8.126 6.645 2.955
9 HA3 GLY 2 3HA GLY 2 -8.547 6.754 1.252
10 H CYS 3 H CYS 3 -5.942 6.045 3.515
11 HA CYS 3 HA CYS 3 -4.416 4.714 1.395
12 HB2 CYS 3 2HB CYS 3 -2.568 4.667 3.013
13 HB3 CYS 3 3HB CYS 3 -3.179 6.302 2.787
14 H ALA 4 H ALA 4 -3.554 2.579 1.737
15 HA ALA 4 HA ALA 4 -5.441 0.848 3.143
16 HB1 ALA 4 3HB ALA 4 -3.248 -0.364 1.593
17 HB2 ALA 4 1HB ALA 4 -4.374 0.638 0.674
18 HB3 ALA 4 2HB ALA 4 -4.972 -0.736 1.603
19 H PHE 5 H PHE 5 -4.784 -0.833 4.539
20 HA PHE 5 HA PHE 5 -2.325 -0.233 6.010
21 HB2 PHE 5 2HB PHE 5 -3.355 -1.741 7.788
22 HB3 PHE 5 3HB PHE 5 -4.169 -0.215 7.493
23 HD1 PHE 5 HD2 PHE 5 -4.332 -3.854 6.767
24 HD2 PHE 5 HD1 PHE 5 -6.439 -0.158 6.937
25 HE1 PHE 5 HE2 PHE 5 -6.457 -5.055 6.460
26 HE2 PHE 5 HE1 PHE 5 -8.567 -1.354 6.635
27 HZ PHE 5 HZ PHE 5 -8.577 -3.805 6.394
28 H GLU 6 H GLU 6 -1.327 -2.268 7.086
29 HA GLU 6 HA GLU 6 -0.125 -3.840 5.104
30 HB2 GLU 6 2HB GLU 6 0.614 -3.243 7.537
31 HB3 GLU 6 3HB GLU 6 -0.233 -4.719 7.967
32 HG2 GLU 6 2HG GLU 6 1.206 -5.964 6.391
33 HG3 GLU 6 3HG GLU 6 2.094 -4.475 6.071
34 H GLY 7 H GLY 7 -0.621 -5.693 4.143
35 HA2 GLY 7 2HA GLY 7 -1.387 -7.986 4.282
36 HA3 GLY 7 3HA GLY 7 -2.642 -7.452 5.383
37 H GLU 8 H GLU 8 -3.113 -5.079 3.454
38 HA GLU 8 HA GLU 8 -4.814 -6.624 1.620
39 HB2 GLU 8 2HB GLU 8 -6.291 -4.678 1.502
40 HB3 GLU 8 3HB GLU 8 -6.065 -5.198 3.162
41 HG2 GLU 8 2HG GLU 8 -4.746 -3.334 3.685
42 HG3 GLU 8 3HG GLU 8 -4.464 -2.952 1.987
43 H SER 9 H SER 9 -5.450 -5.161 -0.391
44 HA SER 9 HA SER 9 -2.950 -4.669 -1.809
45 HB2 SER 9 2HB SER 9 -4.725 -6.170 -2.765
46 HB3 SER 9 3HB SER 9 -5.761 -4.752 -2.926
47 HG SER 9 HG SER 9 -4.247 -5.535 -4.753
48 H CYS 10 H CYS 10 -2.415 -2.771 -2.795
49 HA CYS 10 HA CYS 10 -4.155 -0.439 -2.371
50 HB2 CYS 10 2HB CYS 10 -1.963 0.847 -1.934
51 HB3 CYS 10 3HB CYS 10 -2.593 -0.161 -0.637
52 H ASN 11 H ASN 11 -4.428 0.778 -4.127
53 HA ASN 11 HA ASN 11 -2.812 0.204 -6.498
54 HB2 ASN 11 2HB ASN 11 -5.580 1.159 -6.038
55 HB3 ASN 11 3HB ASN 11 -4.753 1.814 -7.448
56 HD21 ASN 11 1HD2 ASN 11 -4.083 0.408 -9.087
57 HD22 ASN 11 2HD2 ASN 11 -4.783 -1.160 -9.273
58 H VAL 12 H VAL 12 -1.228 1.488 -7.052
59 HA VAL 12 HA VAL 12 -0.723 3.979 -5.748
60 HB VAL 12 HB VAL 12 1.264 4.154 -7.221
61 HG11 VAL 12 1HG1 VAL 12 1.350 2.885 -5.119
62 HG12 VAL 12 2HG1 VAL 12 2.458 2.245 -6.332
63 HG13 VAL 12 3HG1 VAL 12 0.938 1.414 -6.003
64 HG21 VAL 12 3HG2 VAL 12 1.854 2.303 -8.730
65 HG22 VAL 12 1HG2 VAL 12 0.396 3.142 -9.264
66 HG23 VAL 12 2HG2 VAL 12 0.269 1.580 -8.455
67 H GLN 13 H GLN 13 -3.037 3.528 -7.866
68 HA GLN 13 HA GLN 13 -2.507 5.849 -9.574
69 HB2 GLN 13 2HB GLN 13 -3.334 3.541 -10.423
70 HB3 GLN 13 3HB GLN 13 -4.893 4.025 -9.774
71 HG2 GLN 13 2HG GLN 13 -5.058 5.844 -11.279
72 HG3 GLN 13 3HG GLN 13 -3.375 5.672 -11.779
73 HE21 GLN 13 1HE2 GLN 13 -2.805 4.002 -13.175
74 HE22 GLN 13 2HE2 GLN 13 -3.979 3.139 -14.102
75 H PHE 14 H PHE 14 -4.573 4.727 -6.965
76 HA PHE 14 HA PHE 14 -5.585 7.415 -6.550
77 HB2 PHE 14 2HB PHE 14 -7.995 6.319 -6.341
78 HB3 PHE 14 3HB PHE 14 -7.396 6.921 -7.882
79 HD1 PHE 14 HD1 PHE 14 -8.153 3.918 -5.919
80 HD2 PHE 14 HD2 PHE 14 -6.823 5.433 -9.665
81 HE1 PHE 14 HE1 PHE 14 -8.443 1.689 -6.921
82 HE2 PHE 14 HE2 PHE 14 -7.116 3.212 -10.674
83 HZ PHE 14 HZ PHE 14 -7.915 1.340 -9.300
84 H TYR 15 H TYR 15 -5.187 4.113 -5.424
85 HA TYR 15 HA TYR 15 -5.874 5.033 -2.705
86 HB2 TYR 15 2HB TYR 15 -7.348 3.219 -3.888
87 HB3 TYR 15 3HB TYR 15 -6.030 2.135 -3.460
88 HD1 TYR 15 HD1 TYR 15 -8.755 4.221 -2.168
89 HD2 TYR 15 HD2 TYR 15 -5.618 1.536 -1.144
90 HE1 TYR 15 HE1 TYR 15 -9.716 3.965 0.081
91 HE2 TYR 15 HE2 TYR 15 -6.572 1.273 1.108
92 HH TYR 15 HH TYR 15 -9.686 2.333 1.922
93 HA PRO 16 HA PRO 16 -1.418 3.792 -2.538
94 HB2 PRO 16 2HB PRO 16 -0.546 5.852 -0.999
95 HB3 PRO 16 3HB PRO 16 -0.752 5.998 -2.754
96 HG2 PRO 16 2HG PRO 16 -2.492 6.991 -0.562
97 HG3 PRO 16 3HG PRO 16 -2.107 7.732 -2.127
98 HD2 PRO 16 2HD PRO 16 -4.444 6.371 -1.570
99 HD3 PRO 16 3HD PRO 16 -3.789 6.636 -3.196
100 H CYS 17 H CYS 17 0.041 3.515 -0.529
101 HA CYS 17 HA CYS 17 -1.521 2.194 1.535
102 HB2 CYS 17 2HB CYS 17 0.603 1.275 0.364
103 HB3 CYS 17 3HB CYS 17 1.484 2.331 1.463
104 H CYS 18 H CYS 18 -0.909 2.459 3.854
105 HA CYS 18 HA CYS 18 -0.923 5.254 4.555
106 HB2 CYS 18 2HB CYS 18 -1.002 2.778 6.288
107 HB3 CYS 18 3HB CYS 18 -1.216 4.423 6.876
108 HA PRO 19 HA PRO 19 3.577 5.129 5.217
109 HB2 PRO 19 2HB PRO 19 4.044 7.769 4.926
110 HB3 PRO 19 3HB PRO 19 3.719 6.720 3.534
111 HG2 PRO 19 2HG PRO 19 1.933 8.665 4.886
112 HG3 PRO 19 3HG PRO 19 2.054 8.242 3.168
113 HD2 PRO 19 2HD PRO 19 0.127 7.280 4.936
114 HD3 PRO 19 3HD PRO 19 0.539 6.567 3.366
115 H GLY 20 H GLY 20 5.081 6.527 6.680
116 HA2 GLY 20 2HA GLY 20 5.357 7.820 8.670
117 HA3 GLY 20 3HA GLY 20 3.696 7.451 9.103
118 H LEU 21 H LEU 21 3.780 4.651 8.694
119 HA LEU 21 HA LEU 21 5.208 3.857 11.106
120 HB2 LEU 21 2HB LEU 21 3.186 2.416 9.389
121 HB3 LEU 21 3HB LEU 21 3.942 1.708 10.801
122 HG LEU 21 HG LEU 21 2.962 3.876 11.982
123 HD11 LEU 21 1HD1 LEU 21 2.066 4.873 9.950
124 HD12 LEU 21 2HD1 LEU 21 0.768 4.459 11.069
125 HD13 LEU 21 3HD1 LEU 21 1.081 3.438 9.665
126 HD21 LEU 21 3HD2 LEU 21 1.342 1.435 11.268
127 HD22 LEU 21 1HD2 LEU 21 0.991 2.550 12.590
128 HD23 LEU 21 2HD2 LEU 21 2.467 1.586 12.618
129 H GLY 22 H GLY 22 5.130 3.073 7.656
130 HA2 GLY 22 2HA GLY 22 7.401 2.601 6.714
131 HA3 GLY 22 3HA GLY 22 7.570 1.445 8.027
132 H LEU 23 H LEU 23 5.010 2.167 5.652
133 HA LEU 23 HA LEU 23 4.999 -0.690 4.925
134 HB2 LEU 23 2HB LEU 23 2.689 1.259 4.932
135 HB3 LEU 23 3HB LEU 23 2.606 -0.385 4.335
136 HG LEU 23 HG LEU 23 3.372 0.180 7.189
137 HD11 LEU 23 1HD1 LEU 23 1.031 -0.081 7.812
138 HD12 LEU 23 2HD1 LEU 23 0.577 -0.153 6.109
139 HD13 LEU 23 3HD1 LEU 23 1.256 1.331 6.779
140 HD21 LEU 23 3HD2 LEU 23 3.718 -2.092 6.226
141 HD22 LEU 23 1HD2 LEU 23 1.983 -2.180 5.924
142 HD23 LEU 23 2HD2 LEU 23 2.587 -2.057 7.577
143 H THR 24 H THR 24 4.685 -1.249 2.758
144 HA THR 24 HA THR 24 4.789 0.898 0.773
145 HB THR 24 HB THR 24 7.136 0.327 1.160
146 HG1 THR 24 HG1 THR 24 7.040 -0.880 -1.245
147 HG21 THR 24 3HG2 THR 24 6.959 -1.961 1.962
148 HG22 THR 24 1HG2 THR 24 8.025 -1.906 0.557
149 HG23 THR 24 2HG2 THR 24 6.372 -2.497 0.389
150 H CYS 25 H CYS 25 4.257 0.221 -1.400
151 HA CYS 25 HA CYS 25 2.387 -2.027 -1.429
152 HB2 CYS 25 2HB CYS 25 2.729 0.383 -3.218
153 HB3 CYS 25 3HB CYS 25 1.628 -0.934 -3.585
154 H ILE 26 H ILE 26 3.010 -3.888 -2.309
155 HA ILE 26 HA ILE 26 4.917 -3.845 -4.552
156 HB ILE 26 HB ILE 26 4.967 -5.947 -2.364
157 HG12 ILE 26 2HG1 ILE 26 7.247 -4.062 -2.757
158 HG13 ILE 26 3HG1 ILE 26 5.824 -3.443 -1.927
159 HG21 ILE 26 1HG2 ILE 26 6.866 -5.429 -4.660
160 HG22 ILE 26 2HG2 ILE 26 5.725 -6.768 -4.538
161 HG23 ILE 26 3HG2 ILE 26 7.075 -6.655 -3.409
162 HD11 ILE 26 3HD1 ILE 26 6.028 -5.114 -0.220
163 HD12 ILE 26 1HD1 ILE 26 7.581 -4.302 -0.413
164 HD13 ILE 26 2HD1 ILE 26 7.336 -5.909 -1.096
165 HA PRO 27 HA PRO 27 5.441 -4.854 -6.439
166 HB2 PRO 27 2HB PRO 27 4.309 -4.624 -8.916
167 HB3 PRO 27 3HB PRO 27 4.990 -6.139 -8.295
168 HG2 PRO 27 2HG PRO 27 2.144 -5.267 -8.423
169 HG3 PRO 27 3HG PRO 27 2.856 -6.855 -8.773
170 HD2 PRO 27 2HD PRO 27 1.604 -6.321 -6.441
171 HD3 PRO 27 3HD PRO 27 2.965 -7.449 -6.557
172 H GLY 28 H GLY 28 2.123 -3.612 -6.984
173 HA2 GLY 28 2HA GLY 28 1.323 -1.453 -6.693
174 HA3 GLY 28 3HA GLY 28 2.954 -0.924 -6.321
175 H ASN 29 H ASN 29 1.854 -2.615 -9.241
176 HA ASN 29 HA ASN 29 2.020 -0.182 -10.813
177 HB2 ASN 29 2HB ASN 29 3.573 -1.327 -12.491
178 HB3 ASN 29 3HB ASN 29 4.292 -0.729 -11.004
179 HD21 ASN 29 1HD2 ASN 29 3.493 -3.514 -12.888
180 HD22 ASN 29 2HD2 ASN 29 4.356 -4.670 -11.937
181 HA PRO 30 HA PRO 30 0.165 0.427 -10.683
182 HB2 PRO 30 2HB PRO 30 -2.533 0.597 -10.804
183 HB3 PRO 30 3HB PRO 30 -1.490 1.008 -12.176
184 HG2 PRO 30 2HG PRO 30 -3.233 -1.327 -11.791
185 HG3 PRO 30 3HG PRO 30 -2.648 -0.584 -13.288
186 HD2 PRO 30 2HD PRO 30 -1.638 -2.920 -12.003
187 HD3 PRO 30 3HD PRO 30 -0.998 -2.116 -13.447
188 H ASP 31 H ASP 31 -1.480 -2.601 -10.023
189 HA ASP 31 HA ASP 31 -2.281 -1.809 -7.351
190 HB2 ASP 31 2HB ASP 31 -3.168 -4.166 -7.212
191 HB3 ASP 31 3HB ASP 31 -3.872 -3.177 -8.482
192 H GLY 32 H GLY 32 -1.565 -2.710 -5.428
193 HA2 GLY 32 2HA GLY 32 0.748 -4.491 -5.476
194 HA3 GLY 32 3HA GLY 32 0.996 -2.896 -4.789
195 H THR 33 H THR 33 1.595 -4.566 -3.027
196 HA THR 33 HA THR 33 -0.762 -4.936 -1.292
197 HB THR 33 HB THR 33 1.646 -6.681 -0.943
198 HG1 THR 33 HG1 THR 33 -0.395 -7.061 -2.896
199 HG21 THR 33 3HG2 THR 33 -1.318 -7.132 -0.545
200 HG22 THR 33 1HG2 THR 33 -0.145 -6.767 0.721
201 HG23 THR 33 2HG2 THR 33 -0.045 -8.291 -0.161
202 H CYS 34 H CYS 34 -0.539 -4.356 0.856
203 HA CYS 34 HA CYS 34 1.667 -2.553 1.425
204 HB2 CYS 34 2HB CYS 34 -0.967 -3.118 2.750
205 HB3 CYS 34 3HB CYS 34 0.280 -2.203 3.589
206 H TYR 35 H TYR 35 3.467 -3.308 2.214
207 HA TYR 35 HA TYR 35 3.394 -5.341 4.346
208 HB2 TYR 35 2HB TYR 35 5.207 -5.148 1.953
209 HB3 TYR 35 3HB TYR 35 5.746 -5.957 3.417
210 HD1 TYR 35 HD2 TYR 35 4.154 -7.843 4.321
211 HD2 TYR 35 HD1 TYR 35 4.084 -6.370 0.325
212 HE1 TYR 35 HE2 TYR 35 3.064 -9.917 3.581
213 HE2 TYR 35 HE1 TYR 35 2.997 -8.446 -0.421
214 HH TYR 35 HH TYR 35 2.777 -10.779 0.315
215 H TYR 36 H TYR 36 5.258 -5.270 5.818
216 HA TYR 36 HA TYR 36 6.026 -2.507 6.383
217 HB2 TYR 36 2HB TYR 36 5.025 -4.195 8.092
218 HB3 TYR 36 3HB TYR 36 6.653 -4.861 8.147
219 HD1 TYR 36 HD2 TYR 36 4.561 -1.957 8.967
220 HD2 TYR 36 HD1 TYR 36 8.459 -3.645 9.201
221 HE1 TYR 36 HE2 TYR 36 5.194 -0.252 10.621
222 HE2 TYR 36 HE1 TYR 36 9.103 -1.944 10.856
223 HH TYR 36 HH TYR 36 6.845 0.051 12.415
224 H LEU 37 H LEU 37 8.057 -1.742 6.286
225 HA LEU 37 HA LEU 37 10.134 -3.519 5.227
226 HB2 LEU 37 2HB LEU 37 9.805 -0.524 5.211
227 HB3 LEU 37 3HB LEU 37 11.318 -1.295 4.776
228 HG LEU 37 HG LEU 37 8.809 -2.092 3.353
229 HD11 LEU 37 1HD1 LEU 37 9.313 -0.316 1.678
230 HD12 LEU 37 2HD1 LEU 37 10.431 0.394 2.842
231 HD13 LEU 37 3HD1 LEU 37 8.711 0.293 3.220
232 HD21 LEU 37 3HD2 LEU 37 11.699 -1.870 2.506
233 HD22 LEU 37 1HD2 LEU 37 10.373 -2.472 1.511
234 HD23 LEU 37 2HD2 LEU 37 10.865 -3.357 2.955
Start of MODEL 15
1 H1 PCA 1 H PCA 1 -11.262 8.292 4.803
2 HA PCA 1 HA PCA 1 -9.236 7.074 5.085
3 HB2 PCA 1 3HB PCA 1 -10.189 4.877 5.253
4 HB3 PCA 1 2HB PCA 1 -9.623 4.703 3.547
5 HG2 PCA 1 3HG PCA 1 -12.091 4.555 3.716
6 HG3 PCA 1 2HG PCA 1 -11.883 4.597 5.486
7 H GLY 2 H GLY 2 -7.433 7.224 3.785
8 HA2 GLY 2 2HA GLY 2 -7.876 7.683 0.897
9 HA3 GLY 2 3HA GLY 2 -6.707 8.588 1.845
10 H CYS 3 H CYS 3 -5.398 6.701 3.259
11 HA CYS 3 HA CYS 3 -3.989 5.219 1.163
12 HB2 CYS 3 2HB CYS 3 -2.159 5.047 2.794
13 HB3 CYS 3 3HB CYS 3 -2.641 6.720 2.543
14 H ALA 4 H ALA 4 -3.252 3.022 1.567
15 HA ALA 4 HA ALA 4 -5.310 1.447 2.901
16 HB1 ALA 4 3HB ALA 4 -3.037 0.175 1.474
17 HB2 ALA 4 1HB ALA 4 -4.232 1.064 0.526
18 HB3 ALA 4 2HB ALA 4 -4.735 -0.292 1.537
19 H PHE 5 H PHE 5 -4.960 -0.084 4.451
20 HA PHE 5 HA PHE 5 -2.685 0.332 6.200
21 HB2 PHE 5 2HB PHE 5 -4.825 -1.735 6.667
22 HB3 PHE 5 3HB PHE 5 -3.915 -0.803 7.850
23 HD1 PHE 5 HD1 PHE 5 -4.550 1.500 8.371
24 HD2 PHE 5 HD2 PHE 5 -6.779 -0.855 5.616
25 HE1 PHE 5 HE1 PHE 5 -6.404 3.114 8.493
26 HE2 PHE 5 HE2 PHE 5 -8.635 0.751 5.735
27 HZ PHE 5 HZ PHE 5 -8.443 2.736 7.167
28 H GLU 6 H GLU 6 -1.897 -1.866 7.292
29 HA GLU 6 HA GLU 6 -0.467 -3.303 5.271
30 HB2 GLU 6 2HB GLU 6 0.330 -2.657 7.626
31 HB3 GLU 6 3HB GLU 6 -0.597 -4.035 8.192
32 HG2 GLU 6 2HG GLU 6 0.755 -5.507 6.750
33 HG3 GLU 6 3HG GLU 6 1.715 -4.112 6.260
34 H GLY 7 H GLY 7 -0.777 -5.297 4.462
35 HA2 GLY 7 2HA GLY 7 -1.545 -7.531 4.459
36 HA3 GLY 7 3HA GLY 7 -2.696 -7.118 5.714
37 H GLU 8 H GLU 8 -2.744 -4.855 3.170
38 HA GLU 8 HA GLU 8 -4.850 -6.324 1.752
39 HB2 GLU 8 2HB GLU 8 -6.283 -4.312 1.687
40 HB3 GLU 8 3HB GLU 8 -6.029 -4.900 3.320
41 HG2 GLU 8 2HG GLU 8 -4.403 -3.121 3.715
42 HG3 GLU 8 3HG GLU 8 -4.632 -2.546 2.064
43 H SER 9 H SER 9 -5.584 -4.856 -0.242
44 HA SER 9 HA SER 9 -3.177 -4.502 -1.830
45 HB2 SER 9 2HB SER 9 -4.804 -4.306 -3.734
46 HB3 SER 9 3HB SER 9 -4.917 -5.821 -2.839
47 HG SER 9 HG SER 9 -6.897 -5.335 -2.371
48 H CYS 10 H CYS 10 -2.607 -2.666 -2.940
49 HA CYS 10 HA CYS 10 -4.063 -0.178 -2.397
50 HB2 CYS 10 2HB CYS 10 -1.799 0.929 -2.004
51 HB3 CYS 10 3HB CYS 10 -2.376 -0.125 -0.719
52 H ASN 11 H ASN 11 -4.321 1.015 -4.174
53 HA ASN 11 HA ASN 11 -2.788 0.323 -6.575
54 HB2 ASN 11 2HB ASN 11 -5.526 1.334 -6.084
55 HB3 ASN 11 3HB ASN 11 -4.713 1.976 -7.508
56 HD21 ASN 11 1HD2 ASN 11 -4.084 0.555 -9.154
57 HD22 ASN 11 2HD2 ASN 11 -4.813 -1.001 -9.327
58 H VAL 12 H VAL 12 -1.188 1.568 -7.195
59 HA VAL 12 HA VAL 12 -0.607 4.063 -5.924
60 HB VAL 12 HB VAL 12 1.353 4.185 -7.442
61 HG11 VAL 12 1HG1 VAL 12 2.530 2.265 -6.538
62 HG12 VAL 12 2HG1 VAL 12 0.997 1.489 -6.141
63 HG13 VAL 12 3HG1 VAL 12 1.473 2.974 -5.316
64 HG21 VAL 12 3HG2 VAL 12 1.886 2.297 -8.922
65 HG22 VAL 12 1HG2 VAL 12 0.426 3.138 -9.443
66 HG23 VAL 12 2HG2 VAL 12 0.301 1.597 -8.596
67 H GLN 13 H GLN 13 -2.966 3.644 -8.017
68 HA GLN 13 HA GLN 13 -2.384 5.973 -9.707
69 HB2 GLN 13 2HB GLN 13 -3.241 3.640 -10.555
70 HB3 GLN 13 3HB GLN 13 -4.806 4.239 -10.035
71 HG2 GLN 13 2HG GLN 13 -4.740 4.779 -12.289
72 HG3 GLN 13 3HG GLN 13 -4.287 6.287 -11.499
73 HE21 GLN 13 1HE2 GLN 13 -3.188 3.607 -13.418
74 HE22 GLN 13 2HE2 GLN 13 -1.683 4.304 -13.901
75 H PHE 14 H PHE 14 -4.518 4.840 -7.158
76 HA PHE 14 HA PHE 14 -5.559 7.539 -6.816
77 HB2 PHE 14 2HB PHE 14 -7.937 6.424 -6.534
78 HB3 PHE 14 3HB PHE 14 -7.362 6.918 -8.122
79 HD1 PHE 14 HD2 PHE 14 -8.052 4.064 -5.928
80 HD2 PHE 14 HD1 PHE 14 -6.799 5.304 -9.798
81 HE1 PHE 14 HE2 PHE 14 -8.336 1.763 -6.751
82 HE2 PHE 14 HE1 PHE 14 -7.076 3.005 -10.629
83 HZ PHE 14 HZ PHE 14 -7.837 1.234 -9.102
84 H TYR 15 H TYR 15 -5.027 4.318 -5.544
85 HA TYR 15 HA TYR 15 -5.654 5.353 -2.854
86 HB2 TYR 15 2HB TYR 15 -7.252 3.581 -3.882
87 HB3 TYR 15 3HB TYR 15 -5.957 2.442 -3.542
88 HD1 TYR 15 HD2 TYR 15 -8.259 4.890 -1.955
89 HD2 TYR 15 HD1 TYR 15 -5.677 1.558 -1.374
90 HE1 TYR 15 HE2 TYR 15 -9.091 4.654 0.347
91 HE2 TYR 15 HE1 TYR 15 -6.507 1.311 0.927
92 HH TYR 15 HH TYR 15 -7.573 2.689 2.658
93 HA PRO 16 HA PRO 16 -1.237 3.973 -2.746
94 HB2 PRO 16 2HB PRO 16 -0.283 6.020 -1.236
95 HB3 PRO 16 3HB PRO 16 -0.516 6.159 -2.988
96 HG2 PRO 16 2HG PRO 16 -2.193 7.210 -0.774
97 HG3 PRO 16 3HG PRO 16 -1.811 7.933 -2.348
98 HD2 PRO 16 2HD PRO 16 -4.176 6.646 -1.755
99 HD3 PRO 16 3HD PRO 16 -3.533 6.873 -3.390
100 H CYS 17 H CYS 17 0.255 3.688 -0.748
101 HA CYS 17 HA CYS 17 -1.319 2.439 1.361
102 HB2 CYS 17 2HB CYS 17 0.698 1.373 0.168
103 HB3 CYS 17 3HB CYS 17 1.688 2.437 1.161
104 H CYS 18 H CYS 18 -0.707 2.722 3.655
105 HA CYS 18 HA CYS 18 -0.493 5.522 4.310
106 HB2 CYS 18 2HB CYS 18 -0.753 3.088 6.085
107 HB3 CYS 18 3HB CYS 18 -0.835 4.754 6.646
108 HA PRO 19 HA PRO 19 3.986 5.048 4.971
109 HB2 PRO 19 2HB PRO 19 4.677 7.616 4.531
110 HB3 PRO 19 3HB PRO 19 4.251 6.525 3.200
111 HG2 PRO 19 2HG PRO 19 2.659 8.699 4.436
112 HG3 PRO 19 3HG PRO 19 2.716 8.155 2.750
113 HD2 PRO 19 2HD PRO 19 0.745 7.481 4.617
114 HD3 PRO 19 3HD PRO 19 1.041 6.665 3.072
115 H GLY 20 H GLY 20 5.609 6.402 6.353
116 HA2 GLY 20 2HA GLY 20 6.001 7.781 8.261
117 HA3 GLY 20 3HA GLY 20 4.316 7.585 8.713
118 H LEU 21 H LEU 21 4.173 4.759 8.466
119 HA LEU 21 HA LEU 21 5.506 4.005 10.943
120 HB2 LEU 21 2HB LEU 21 3.413 2.609 9.275
121 HB3 LEU 21 3HB LEU 21 4.085 1.948 10.751
122 HG LEU 21 HG LEU 21 3.246 4.263 11.752
123 HD11 LEU 21 1HD1 LEU 21 1.377 3.786 9.432
124 HD12 LEU 21 2HD1 LEU 21 2.460 5.164 9.631
125 HD13 LEU 21 3HD1 LEU 21 1.117 4.930 10.750
126 HD21 LEU 21 3HD2 LEU 21 1.174 3.125 12.408
127 HD22 LEU 21 1HD2 LEU 21 2.579 2.066 12.541
128 HD23 LEU 21 2HD2 LEU 21 1.470 1.894 11.180
129 H GLY 22 H GLY 22 5.454 3.060 7.540
130 HA2 GLY 22 2HA GLY 22 7.705 2.349 6.699
131 HA3 GLY 22 3HA GLY 22 7.723 1.236 8.058
132 H LEU 23 H LEU 23 5.292 2.094 5.602
133 HA LEU 23 HA LEU 23 5.016 -0.776 4.984
134 HB2 LEU 23 2HB LEU 23 2.932 1.401 4.757
135 HB3 LEU 23 3HB LEU 23 2.696 -0.277 4.315
136 HG LEU 23 HG LEU 23 3.423 0.487 7.133
137 HD11 LEU 23 1HD1 LEU 23 1.454 1.800 6.526
138 HD12 LEU 23 2HD1 LEU 23 1.048 0.526 7.677
139 HD13 LEU 23 3HD1 LEU 23 0.646 0.334 5.970
140 HD21 LEU 23 3HD2 LEU 23 2.388 -1.609 7.694
141 HD22 LEU 23 1HD2 LEU 23 3.565 -1.889 6.411
142 HD23 LEU 23 2HD2 LEU 23 1.843 -1.833 6.032
143 H THR 24 H THR 24 4.751 -1.409 2.834
144 HA THR 24 HA THR 24 5.154 0.625 0.767
145 HB THR 24 HB THR 24 7.405 -0.164 1.250
146 HG1 THR 24 HG1 THR 24 6.172 -0.615 -1.172
147 HG21 THR 24 3HG2 THR 24 6.380 -2.944 0.634
148 HG22 THR 24 1HG2 THR 24 6.962 -2.363 2.194
149 HG23 THR 24 2HG2 THR 24 8.077 -2.510 0.835
150 H CYS 25 H CYS 25 4.500 0.027 -1.339
151 HA CYS 25 HA CYS 25 2.466 -2.072 -1.387
152 HB2 CYS 25 2HB CYS 25 3.009 0.345 -3.102
153 HB3 CYS 25 3HB CYS 25 1.908 -0.921 -3.625
154 H ILE 26 H ILE 26 2.876 -3.967 -2.311
155 HA ILE 26 HA ILE 26 4.894 -4.107 -4.449
156 HB ILE 26 HB ILE 26 4.525 -6.184 -2.265
157 HG12 ILE 26 2HG1 ILE 26 7.095 -4.724 -2.660
158 HG13 ILE 26 3HG1 ILE 26 5.779 -3.841 -1.898
159 HG21 ILE 26 1HG2 ILE 26 6.487 -7.288 -3.227
160 HG22 ILE 26 2HG2 ILE 26 6.547 -6.080 -4.511
161 HG23 ILE 26 3HG2 ILE 26 5.178 -7.187 -4.405
162 HD11 ILE 26 3HD1 ILE 26 6.872 -6.472 -0.927
163 HD12 ILE 26 1HD1 ILE 26 5.653 -5.477 -0.134
164 HD13 ILE 26 2HD1 ILE 26 7.308 -4.889 -0.283
165 HA PRO 27 HA PRO 27 5.345 -4.932 -6.312
166 HB2 PRO 27 2HB PRO 27 3.994 -4.618 -8.846
167 HB3 PRO 27 3HB PRO 27 5.233 -5.803 -8.402
168 HG2 PRO 27 2HG PRO 27 2.636 -6.433 -8.957
169 HG3 PRO 27 3HG PRO 27 3.717 -7.419 -7.952
170 HD2 PRO 27 2HD PRO 27 1.560 -5.537 -7.126
171 HD3 PRO 27 3HD PRO 27 2.043 -7.087 -6.408
172 H GLY 28 H GLY 28 2.147 -3.553 -7.092
173 HA2 GLY 28 2HA GLY 28 1.461 -1.342 -6.727
174 HA3 GLY 28 3HA GLY 28 3.138 -0.881 -6.477
175 H ASN 29 H ASN 29 2.004 -2.716 -9.263
176 HA ASN 29 HA ASN 29 2.063 -0.343 -10.951
177 HB2 ASN 29 2HB ASN 29 3.553 -1.574 -12.626
178 HB3 ASN 29 3HB ASN 29 4.326 -0.906 -11.198
179 HD21 ASN 29 1HD2 ASN 29 3.444 -3.781 -12.905
180 HD22 ASN 29 2HD2 ASN 29 4.345 -4.890 -11.934
181 HA PRO 30 HA PRO 30 0.228 0.285 -10.787
182 HB2 PRO 30 2HB PRO 30 -2.465 0.511 -10.916
183 HB3 PRO 30 3HB PRO 30 -1.415 0.825 -12.308
184 HG2 PRO 30 2HG PRO 30 -3.228 -1.429 -11.814
185 HG3 PRO 30 3HG PRO 30 -2.590 -0.802 -13.342
186 HD2 PRO 30 2HD PRO 30 -1.676 -3.077 -11.863
187 HD3 PRO 30 3HD PRO 30 -1.026 -2.428 -13.379
188 H ASP 31 H ASP 31 -1.480 -2.665 -9.959
189 HA ASP 31 HA ASP 31 -2.210 -1.691 -7.317
190 HB2 ASP 31 2HB ASP 31 -3.295 -3.953 -7.076
191 HB3 ASP 31 3HB ASP 31 -3.931 -2.957 -8.376
192 H GLY 32 H GLY 32 -1.646 -2.751 -5.370
193 HA2 GLY 32 2HA GLY 32 0.513 -4.690 -5.376
194 HA3 GLY 32 3HA GLY 32 0.942 -3.104 -4.758
195 H THR 33 H THR 33 1.406 -4.645 -2.899
196 HA THR 33 HA THR 33 -0.963 -4.742 -1.145
197 HB THR 33 HB THR 33 1.264 -6.692 -0.705
198 HG1 THR 33 HG1 THR 33 -0.246 -6.622 -2.962
199 HG21 THR 33 3HG2 THR 33 -0.576 -8.096 0.123
200 HG22 THR 33 1HG2 THR 33 -1.734 -6.849 -0.340
201 HG23 THR 33 2HG2 THR 33 -0.551 -6.528 0.928
202 H CYS 34 H CYS 34 -0.633 -4.165 1.009
203 HA CYS 34 HA CYS 34 1.735 -2.535 1.466
204 HB2 CYS 34 2HB CYS 34 -0.891 -2.805 2.909
205 HB3 CYS 34 3HB CYS 34 0.455 -1.902 3.594
206 H TYR 35 H TYR 35 3.458 -3.396 2.301
207 HA TYR 35 HA TYR 35 3.205 -5.369 4.477
208 HB2 TYR 35 2HB TYR 35 5.045 -5.337 2.103
209 HB3 TYR 35 3HB TYR 35 5.555 -6.116 3.594
210 HD1 TYR 35 HD2 TYR 35 4.044 -7.971 4.536
211 HD2 TYR 35 HD1 TYR 35 3.700 -6.484 0.560
212 HE1 TYR 35 HE2 TYR 35 2.854 -10.019 3.878
213 HE2 TYR 35 HE1 TYR 35 2.511 -8.531 -0.104
214 HH TYR 35 HH TYR 35 1.284 -10.759 2.138
215 H TYR 36 H TYR 36 4.963 -5.361 6.034
216 HA TYR 36 HA TYR 36 5.927 -2.651 6.541
217 HB2 TYR 36 2HB TYR 36 4.708 -4.187 8.250
218 HB3 TYR 36 3HB TYR 36 6.271 -4.978 8.414
219 HD1 TYR 36 HD2 TYR 36 4.431 -1.824 8.941
220 HD2 TYR 36 HD1 TYR 36 8.066 -3.933 9.607
221 HE1 TYR 36 HE2 TYR 36 5.117 -0.118 10.572
222 HE2 TYR 36 HE1 TYR 36 8.761 -2.231 11.240
223 HH TYR 36 HH TYR 36 8.283 0.124 11.762
224 H LEU 37 H LEU 37 7.996 -2.044 6.443
225 HA LEU 37 HA LEU 37 9.983 -4.028 5.602
226 HB2 LEU 37 2HB LEU 37 9.895 -1.021 5.402
227 HB3 LEU 37 3HB LEU 37 11.344 -1.942 5.054
228 HG LEU 37 HG LEU 37 8.807 -2.596 3.604
229 HD11 LEU 37 1HD1 LEU 37 9.508 -0.974 1.848
230 HD12 LEU 37 2HD1 LEU 37 10.666 -0.305 2.997
231 HD13 LEU 37 3HD1 LEU 37 8.938 -0.221 3.338
232 HD21 LEU 37 3HD2 LEU 37 11.727 -2.689 2.836
233 HD22 LEU 37 1HD2 LEU 37 10.377 -3.220 1.832
234 HD23 LEU 37 2HD2 LEU 37 10.744 -4.066 3.336
Start of MODEL 16
1 H1 PCA 1 H PCA 1 -11.427 8.156 3.859
2 HA PCA 1 HA PCA 1 -9.317 6.960 4.964
3 HB2 PCA 1 3HB PCA 1 -10.250 4.750 5.054
4 HB3 PCA 1 2HB PCA 1 -9.634 4.623 3.361
5 HG2 PCA 1 3HG PCA 1 -12.104 4.444 3.456
6 HG3 PCA 1 2HG PCA 1 -11.946 4.447 5.232
7 H GLY 2 H GLY 2 -7.469 7.085 3.704
8 HA2 GLY 2 2HA GLY 2 -7.838 7.631 0.821
9 HA3 GLY 2 3HA GLY 2 -6.703 8.524 1.821
10 H CYS 3 H CYS 3 -5.413 6.628 3.228
11 HA CYS 3 HA CYS 3 -3.957 5.175 1.141
12 HB2 CYS 3 2HB CYS 3 -2.140 5.020 2.785
13 HB3 CYS 3 3HB CYS 3 -2.641 6.689 2.542
14 H ALA 4 H ALA 4 -3.199 2.986 1.555
15 HA ALA 4 HA ALA 4 -5.254 1.390 2.868
16 HB1 ALA 4 3HB ALA 4 -2.976 0.105 1.477
17 HB2 ALA 4 1HB ALA 4 -4.115 1.033 0.498
18 HB3 ALA 4 2HB ALA 4 -4.688 -0.318 1.477
19 H PHE 5 H PHE 5 -4.906 -0.126 4.428
20 HA PHE 5 HA PHE 5 -2.628 0.295 6.175
21 HB2 PHE 5 2HB PHE 5 -4.778 -1.757 6.660
22 HB3 PHE 5 3HB PHE 5 -3.863 -0.819 7.834
23 HD1 PHE 5 HD2 PHE 5 -4.487 1.493 8.334
24 HD2 PHE 5 HD1 PHE 5 -6.729 -0.878 5.604
25 HE1 PHE 5 HE2 PHE 5 -6.334 3.115 8.444
26 HE2 PHE 5 HE1 PHE 5 -8.576 0.740 5.706
27 HZ PHE 5 HZ PHE 5 -8.374 2.735 7.121
28 H GLU 6 H GLU 6 -1.841 -1.895 7.277
29 HA GLU 6 HA GLU 6 -0.422 -3.351 5.266
30 HB2 GLU 6 2HB GLU 6 0.362 -2.706 7.632
31 HB3 GLU 6 3HB GLU 6 -0.565 -4.092 8.183
32 HG2 GLU 6 2HG GLU 6 0.797 -5.552 6.747
33 HG3 GLU 6 3HG GLU 6 1.750 -4.154 6.253
34 H GLY 7 H GLY 7 -0.767 -5.324 4.432
35 HA2 GLY 7 2HA GLY 7 -1.545 -7.558 4.433
36 HA3 GLY 7 3HA GLY 7 -2.695 -7.138 5.687
37 H GLU 8 H GLU 8 -2.743 -4.853 3.174
38 HA GLU 8 HA GLU 8 -4.843 -6.310 1.733
39 HB2 GLU 8 2HB GLU 8 -6.272 -4.293 1.681
40 HB3 GLU 8 3HB GLU 8 -6.028 -4.903 3.307
41 HG2 GLU 8 2HG GLU 8 -4.413 -3.133 3.745
42 HG3 GLU 8 3HG GLU 8 -4.606 -2.541 2.096
43 H SER 9 H SER 9 -5.576 -4.811 -0.244
44 HA SER 9 HA SER 9 -3.165 -4.453 -1.829
45 HB2 SER 9 2HB SER 9 -6.085 -4.395 -2.627
46 HB3 SER 9 3HB SER 9 -4.723 -4.320 -3.744
47 HG SER 9 HG SER 9 -5.883 -6.472 -2.730
48 H CYS 10 H CYS 10 -2.666 -2.618 -3.019
49 HA CYS 10 HA CYS 10 -4.101 -0.130 -2.449
50 HB2 CYS 10 2HB CYS 10 -1.810 0.972 -2.078
51 HB3 CYS 10 3HB CYS 10 -2.438 -0.019 -0.768
52 H ASN 11 H ASN 11 -4.327 1.088 -4.228
53 HA ASN 11 HA ASN 11 -2.771 0.375 -6.608
54 HB2 ASN 11 2HB ASN 11 -5.349 0.356 -6.586
55 HB3 ASN 11 3HB ASN 11 -5.232 2.111 -6.608
56 HD21 ASN 11 1HD2 ASN 11 -4.137 -0.779 -8.338
57 HD22 ASN 11 2HD2 ASN 11 -4.141 -0.054 -9.906
58 H VAL 12 H VAL 12 -1.200 1.615 -7.257
59 HA VAL 12 HA VAL 12 -0.535 4.059 -5.950
60 HB VAL 12 HB VAL 12 1.389 4.165 -7.513
61 HG11 VAL 12 1HG1 VAL 12 0.954 1.457 -6.257
62 HG12 VAL 12 2HG1 VAL 12 1.544 2.902 -5.432
63 HG13 VAL 12 3HG1 VAL 12 2.512 2.156 -6.705
64 HG21 VAL 12 3HG2 VAL 12 0.225 1.644 -8.710
65 HG22 VAL 12 1HG2 VAL 12 1.824 2.303 -9.057
66 HG23 VAL 12 2HG2 VAL 12 0.379 3.203 -9.519
67 H GLN 13 H GLN 13 -2.937 3.753 -8.072
68 HA GLN 13 HA GLN 13 -2.298 6.148 -9.644
69 HB2 GLN 13 2HB GLN 13 -3.213 3.899 -10.617
70 HB3 GLN 13 3HB GLN 13 -4.764 4.488 -10.044
71 HG2 GLN 13 2HG GLN 13 -4.715 5.158 -12.263
72 HG3 GLN 13 3HG GLN 13 -4.227 6.611 -11.393
73 HE21 GLN 13 1HE2 GLN 13 -2.089 7.306 -11.518
74 HE22 GLN 13 2HE2 GLN 13 -1.007 6.735 -12.738
75 H PHE 14 H PHE 14 -4.474 4.961 -7.154
76 HA PHE 14 HA PHE 14 -5.430 7.677 -6.697
77 HB2 PHE 14 2HB PHE 14 -7.834 6.610 -6.436
78 HB3 PHE 14 3HB PHE 14 -7.259 7.158 -8.005
79 HD1 PHE 14 HD2 PHE 14 -7.995 4.226 -5.931
80 HD2 PHE 14 HD1 PHE 14 -6.757 5.609 -9.757
81 HE1 PHE 14 HE2 PHE 14 -8.346 1.972 -6.853
82 HE2 PHE 14 HE1 PHE 14 -7.102 3.359 -10.688
83 HZ PHE 14 HZ PHE 14 -7.888 1.540 -9.232
84 H TYR 15 H TYR 15 -4.998 4.390 -5.545
85 HA TYR 15 HA TYR 15 -5.605 5.349 -2.821
86 HB2 TYR 15 2HB TYR 15 -7.184 3.594 -3.913
87 HB3 TYR 15 3HB TYR 15 -5.883 2.457 -3.593
88 HD1 TYR 15 HD2 TYR 15 -8.248 4.816 -1.977
89 HD2 TYR 15 HD1 TYR 15 -5.571 1.554 -1.429
90 HE1 TYR 15 HE2 TYR 15 -9.088 4.520 0.314
91 HE2 TYR 15 HE1 TYR 15 -6.409 1.248 0.862
92 HH TYR 15 HH TYR 15 -7.527 2.570 2.607
93 HA PRO 16 HA PRO 16 -1.180 3.987 -2.753
94 HB2 PRO 16 2HB PRO 16 -0.222 6.022 -1.230
95 HB3 PRO 16 3HB PRO 16 -0.462 6.176 -2.980
96 HG2 PRO 16 2HG PRO 16 -2.130 7.208 -0.750
97 HG3 PRO 16 3HG PRO 16 -1.757 7.943 -2.321
98 HD2 PRO 16 2HD PRO 16 -4.117 6.645 -1.721
99 HD3 PRO 16 3HD PRO 16 -3.487 6.892 -3.359
100 H CYS 17 H CYS 17 0.322 3.715 -0.745
101 HA CYS 17 HA CYS 17 -1.245 2.422 1.343
102 HB2 CYS 17 2HB CYS 17 0.803 1.406 0.154
103 HB3 CYS 17 3HB CYS 17 1.763 2.474 1.171
104 H CYS 18 H CYS 18 -0.664 2.699 3.644
105 HA CYS 18 HA CYS 18 -0.499 5.497 4.319
106 HB2 CYS 18 2HB CYS 18 -0.747 3.046 6.071
107 HB3 CYS 18 3HB CYS 18 -0.848 4.705 6.649
108 HA PRO 19 HA PRO 19 3.982 5.096 5.011
109 HB2 PRO 19 2HB PRO 19 4.622 7.689 4.642
110 HB3 PRO 19 3HB PRO 19 4.233 6.622 3.281
111 HG2 PRO 19 2HG PRO 19 2.580 8.727 4.558
112 HG3 PRO 19 3HG PRO 19 2.671 8.233 2.857
113 HD2 PRO 19 2HD PRO 19 0.689 7.466 4.668
114 HD3 PRO 19 3HD PRO 19 1.035 6.687 3.113
115 H GLY 20 H GLY 20 5.567 6.447 6.437
116 HA2 GLY 20 2HA GLY 20 5.932 7.768 8.387
117 HA3 GLY 20 3HA GLY 20 4.242 7.554 8.814
118 H LEU 21 H LEU 21 4.114 4.736 8.494
119 HA LEU 21 HA LEU 21 5.422 3.921 10.964
120 HB2 LEU 21 2HB LEU 21 3.358 2.555 9.235
121 HB3 LEU 21 3HB LEU 21 4.006 1.872 10.712
122 HG LEU 21 HG LEU 21 2.733 4.570 10.840
123 HD11 LEU 21 1HD1 LEU 21 0.537 3.535 11.167
124 HD12 LEU 21 2HD1 LEU 21 1.213 1.969 10.722
125 HD13 LEU 21 3HD1 LEU 21 1.148 3.271 9.534
126 HD21 LEU 21 3HD2 LEU 21 2.807 2.203 12.713
127 HD22 LEU 21 1HD2 LEU 21 2.080 3.772 13.060
128 HD23 LEU 21 2HD2 LEU 21 3.822 3.642 12.819
129 H GLY 22 H GLY 22 5.432 3.104 7.534
130 HA2 GLY 22 2HA GLY 22 7.657 2.407 6.668
131 HA3 GLY 22 3HA GLY 22 7.715 1.287 8.021
132 H LEU 23 H LEU 23 5.249 2.111 5.586
133 HA LEU 23 HA LEU 23 5.013 -0.761 4.965
134 HB2 LEU 23 2HB LEU 23 2.893 1.383 4.763
135 HB3 LEU 23 3HB LEU 23 2.679 -0.296 4.316
136 HG LEU 23 HG LEU 23 3.423 0.462 7.130
137 HD11 LEU 23 1HD1 LEU 23 1.436 1.759 6.556
138 HD12 LEU 23 2HD1 LEU 23 1.051 0.470 7.696
139 HD13 LEU 23 3HD1 LEU 23 0.636 0.292 5.991
140 HD21 LEU 23 3HD2 LEU 23 1.854 -1.868 6.031
141 HD22 LEU 23 1HD2 LEU 23 2.417 -1.649 7.688
142 HD23 LEU 23 2HD2 LEU 23 3.581 -1.909 6.389
143 H THR 24 H THR 24 4.741 -1.394 2.818
144 HA THR 24 HA THR 24 5.083 0.647 0.747
145 HB THR 24 HB THR 24 7.356 -0.099 1.213
146 HG1 THR 24 HG1 THR 24 6.112 -0.578 -1.203
147 HG21 THR 24 3HG2 THR 24 8.074 -2.425 0.790
148 HG22 THR 24 1HG2 THR 24 6.387 -2.895 0.580
149 HG23 THR 24 2HG2 THR 24 6.951 -2.315 2.146
150 H CYS 25 H CYS 25 4.432 0.021 -1.359
151 HA CYS 25 HA CYS 25 2.428 -2.106 -1.378
152 HB2 CYS 25 2HB CYS 25 2.949 0.276 -3.154
153 HB3 CYS 25 3HB CYS 25 1.826 -0.996 -3.610
154 H ILE 26 H ILE 26 2.854 -4.009 -2.288
155 HA ILE 26 HA ILE 26 4.876 -4.151 -4.421
156 HB ILE 26 HB ILE 26 4.524 -6.211 -2.220
157 HG12 ILE 26 2HG1 ILE 26 7.079 -4.726 -2.624
158 HG13 ILE 26 3HG1 ILE 26 5.752 -3.854 -1.867
159 HG21 ILE 26 1HG2 ILE 26 6.550 -6.105 -4.463
160 HG22 ILE 26 2HG2 ILE 26 5.192 -7.225 -4.351
161 HG23 ILE 26 3HG2 ILE 26 6.498 -7.304 -3.170
162 HD11 ILE 26 3HD1 ILE 26 6.864 -6.471 -0.881
163 HD12 ILE 26 1HD1 ILE 26 5.648 -5.470 -0.090
164 HD13 ILE 26 2HD1 ILE 26 7.302 -4.883 -0.252
165 HA PRO 27 HA PRO 27 5.329 -4.969 -6.284
166 HB2 PRO 27 2HB PRO 27 3.959 -4.675 -8.812
167 HB3 PRO 27 3HB PRO 27 5.219 -5.839 -8.375
168 HG2 PRO 27 2HG PRO 27 2.630 -6.510 -8.916
169 HG3 PRO 27 3HG PRO 27 3.731 -7.479 -7.917
170 HD2 PRO 27 2HD PRO 27 1.548 -5.632 -7.079
171 HD3 PRO 27 3HD PRO 27 2.062 -7.173 -6.363
172 H GLY 28 H GLY 28 2.112 -3.632 -7.064
173 HA2 GLY 28 2HA GLY 28 1.405 -1.428 -6.665
174 HA3 GLY 28 3HA GLY 28 3.081 -0.947 -6.455
175 H ASN 29 H ASN 29 1.946 -2.802 -9.225
176 HA ASN 29 HA ASN 29 1.900 -0.420 -10.900
177 HB2 ASN 29 2HB ASN 29 3.398 -1.561 -12.609
178 HB3 ASN 29 3HB ASN 29 4.184 -0.934 -11.168
179 HD21 ASN 29 1HD2 ASN 29 5.083 -2.354 -9.697
180 HD22 ASN 29 2HD2 ASN 29 5.329 -4.028 -10.047
181 HA PRO 30 HA PRO 30 0.077 0.236 -10.868
182 HB2 PRO 30 2HB PRO 30 -2.604 0.431 -10.943
183 HB3 PRO 30 3HB PRO 30 -1.614 0.623 -12.401
184 HG2 PRO 30 2HG PRO 30 -3.305 -1.656 -11.563
185 HG3 PRO 30 3HG PRO 30 -2.923 -1.065 -13.189
186 HD2 PRO 30 2HD PRO 30 -1.721 -3.252 -11.880
187 HD3 PRO 30 3HD PRO 30 -1.165 -2.479 -13.375
188 H ASP 31 H ASP 31 -1.547 -2.711 -9.873
189 HA ASP 31 HA ASP 31 -2.210 -1.638 -7.243
190 HB2 ASP 31 2HB ASP 31 -3.690 -3.195 -8.778
191 HB3 ASP 31 3HB ASP 31 -2.745 -4.472 -8.020
192 H GLY 32 H GLY 32 -1.643 -2.747 -5.304
193 HA2 GLY 32 2HA GLY 32 0.504 -4.695 -5.351
194 HA3 GLY 32 3HA GLY 32 0.956 -3.114 -4.734
195 H THR 33 H THR 33 1.421 -4.704 -2.894
196 HA THR 33 HA THR 33 -0.934 -4.788 -1.120
197 HB THR 33 HB THR 33 1.305 -6.723 -0.686
198 HG1 THR 33 HG1 THR 33 -0.581 -6.836 -2.782
199 HG21 THR 33 3HG2 THR 33 -1.692 -6.907 -0.327
200 HG22 THR 33 1HG2 THR 33 -0.516 -6.570 0.945
201 HG23 THR 33 2HG2 THR 33 -0.522 -8.141 0.143
202 H CYS 34 H CYS 34 -0.617 -4.150 1.006
203 HA CYS 34 HA CYS 34 1.762 -2.537 1.455
204 HB2 CYS 34 2HB CYS 34 -0.877 -2.772 2.875
205 HB3 CYS 34 3HB CYS 34 0.471 -1.890 3.583
206 H TYR 35 H TYR 35 3.477 -3.370 2.329
207 HA TYR 35 HA TYR 35 3.213 -5.308 4.533
208 HB2 TYR 35 2HB TYR 35 5.049 -5.350 2.154
209 HB3 TYR 35 3HB TYR 35 5.545 -6.109 3.660
210 HD1 TYR 35 HD2 TYR 35 3.970 -7.906 4.642
211 HD2 TYR 35 HD1 TYR 35 3.722 -6.522 0.622
212 HE1 TYR 35 HE2 TYR 35 2.749 -9.947 4.020
213 HE2 TYR 35 HE1 TYR 35 2.503 -8.563 -0.006
214 HH TYR 35 HH TYR 35 1.194 -10.703 2.275
215 H TYR 36 H TYR 36 5.000 -5.293 6.070
216 HA TYR 36 HA TYR 36 5.973 -2.580 6.529
217 HB2 TYR 36 2HB TYR 36 4.795 -4.080 8.283
218 HB3 TYR 36 3HB TYR 36 6.344 -4.904 8.407
219 HD1 TYR 36 HD1 TYR 36 4.589 -1.707 8.971
220 HD2 TYR 36 HD2 TYR 36 8.191 -3.897 9.551
221 HE1 TYR 36 HE1 TYR 36 5.356 -0.012 10.578
222 HE2 TYR 36 HE2 TYR 36 8.967 -2.207 11.159
223 HH TYR 36 HH TYR 36 8.556 0.161 11.684
224 H LEU 37 H LEU 37 8.041 -1.966 6.398
225 HA LEU 37 HA LEU 37 10.014 -3.940 5.507
226 HB2 LEU 37 2HB LEU 37 9.910 -0.933 5.334
227 HB3 LEU 37 3HB LEU 37 11.361 -1.842 4.958
228 HG LEU 37 HG LEU 37 8.809 -2.504 3.540
229 HD11 LEU 37 1HD1 LEU 37 10.634 -0.186 2.937
230 HD12 LEU 37 2HD1 LEU 37 8.906 -0.131 3.283
231 HD13 LEU 37 3HD1 LEU 37 9.484 -0.862 1.785
232 HD21 LEU 37 3HD2 LEU 37 10.359 -3.096 1.739
233 HD22 LEU 37 1HD2 LEU 37 10.750 -3.955 3.229
234 HD23 LEU 37 2HD2 LEU 37 11.718 -2.568 2.732
Start of MODEL 17
1 H1 PCA 1 H PCA 1 -9.499 10.253 5.282
2 HA PCA 1 HA PCA 1 -7.680 8.717 5.322
3 HB2 PCA 1 3HB PCA 1 -8.723 7.008 6.648
4 HB3 PCA 1 2HB PCA 1 -8.914 6.159 5.065
5 HG2 PCA 1 3HG PCA 1 -11.106 6.703 6.087
6 HG3 PCA 1 2HG PCA 1 -10.199 7.252 7.520
7 H GLY 2 H GLY 2 -6.552 7.995 3.539
8 HA2 GLY 2 2HA GLY 2 -8.006 7.153 1.138
9 HA3 GLY 2 3HA GLY 2 -6.974 8.567 1.009
10 H CYS 3 H CYS 3 -6.048 5.951 3.109
11 HA CYS 3 HA CYS 3 -4.174 4.910 1.101
12 HB2 CYS 3 2HB CYS 3 -2.357 4.889 2.744
13 HB3 CYS 3 3HB CYS 3 -2.941 6.528 2.481
14 H ALA 4 H ALA 4 -3.409 2.760 1.498
15 HA ALA 4 HA ALA 4 -5.360 1.136 2.936
16 HB1 ALA 4 3HB ALA 4 -4.802 -0.588 1.548
17 HB2 ALA 4 1HB ALA 4 -3.114 -0.092 1.432
18 HB3 ALA 4 2HB ALA 4 -4.351 0.770 0.516
19 H PHE 5 H PHE 5 -4.803 -0.491 4.421
20 HA PHE 5 HA PHE 5 -2.382 0.094 5.953
21 HB2 PHE 5 2HB PHE 5 -3.500 -1.351 7.730
22 HB3 PHE 5 3HB PHE 5 -4.284 0.176 7.364
23 HD1 PHE 5 HD1 PHE 5 -4.462 -3.478 6.704
24 HD2 PHE 5 HD2 PHE 5 -6.534 0.242 6.749
25 HE1 PHE 5 HE1 PHE 5 -6.589 -4.662 6.352
26 HE2 PHE 5 HE2 PHE 5 -8.664 -0.938 6.396
27 HZ PHE 5 HZ PHE 5 -8.693 -3.391 6.198
28 H GLU 6 H GLU 6 -1.522 -1.985 7.144
29 HA GLU 6 HA GLU 6 -0.283 -3.613 5.202
30 HB2 GLU 6 2HB GLU 6 0.461 -2.947 7.607
31 HB3 GLU 6 3HB GLU 6 -0.440 -4.369 8.103
32 HG2 GLU 6 2HG GLU 6 0.963 -5.748 6.622
33 HG3 GLU 6 3HG GLU 6 1.896 -4.313 6.202
34 H GLY 7 H GLY 7 -0.799 -5.504 4.315
35 HA2 GLY 7 2HA GLY 7 -1.620 -7.742 4.399
36 HA3 GLY 7 3HA GLY 7 -2.756 -7.253 5.639
37 H GLU 8 H GLU 8 -2.678 -5.060 3.012
38 HA GLU 8 HA GLU 8 -4.818 -6.486 1.607
39 HB2 GLU 8 2HB GLU 8 -6.267 -4.523 1.549
40 HB3 GLU 8 3HB GLU 8 -5.942 -4.996 3.206
41 HG2 GLU 8 2HG GLU 8 -4.582 -3.139 3.593
42 HG3 GLU 8 3HG GLU 8 -4.363 -2.827 1.873
43 H SER 9 H SER 9 -5.517 -5.051 -0.399
44 HA SER 9 HA SER 9 -3.085 -4.636 -1.944
45 HB2 SER 9 2HB SER 9 -4.677 -4.530 -3.886
46 HB3 SER 9 3HB SER 9 -4.742 -6.041 -2.981
47 HG SER 9 HG SER 9 -6.816 -5.560 -3.044
48 H CYS 10 H CYS 10 -2.560 -2.771 -3.031
49 HA CYS 10 HA CYS 10 -4.149 -0.357 -2.507
50 HB2 CYS 10 2HB CYS 10 -1.899 0.834 -2.135
51 HB3 CYS 10 3HB CYS 10 -2.502 -0.177 -0.827
52 H ASN 11 H ASN 11 -4.406 0.898 -4.241
53 HA ASN 11 HA ASN 11 -2.902 0.260 -6.677
54 HB2 ASN 11 2HB ASN 11 -5.623 1.296 -6.119
55 HB3 ASN 11 3HB ASN 11 -4.823 1.950 -7.544
56 HD21 ASN 11 1HD2 ASN 11 -4.175 0.512 -9.196
57 HD22 ASN 11 2HD2 ASN 11 -4.959 -1.014 -9.396
58 H VAL 12 H VAL 12 -1.286 1.515 -7.261
59 HA VAL 12 HA VAL 12 -0.715 3.995 -5.953
60 HB VAL 12 HB VAL 12 1.253 4.139 -7.466
61 HG11 VAL 12 1HG1 VAL 12 0.885 1.450 -6.153
62 HG12 VAL 12 2HG1 VAL 12 1.394 2.936 -5.350
63 HG13 VAL 12 3HG1 VAL 12 2.426 2.198 -6.574
64 HG21 VAL 12 3HG2 VAL 12 1.802 2.256 -8.947
65 HG22 VAL 12 1HG2 VAL 12 0.342 3.094 -9.474
66 HG23 VAL 12 2HG2 VAL 12 0.217 1.550 -8.633
67 H GLN 13 H GLN 13 -3.080 3.615 -8.015
68 HA GLN 13 HA GLN 13 -2.501 5.957 -9.694
69 HB2 GLN 13 2HB GLN 13 -3.341 3.629 -10.575
70 HB3 GLN 13 3HB GLN 13 -4.911 4.209 -10.048
71 HG2 GLN 13 2HG GLN 13 -4.849 4.781 -12.293
72 HG3 GLN 13 3HG GLN 13 -4.407 6.281 -11.482
73 HE21 GLN 13 1HE2 GLN 13 -2.287 7.026 -11.614
74 HE22 GLN 13 2HE2 GLN 13 -1.175 6.429 -12.794
75 H PHE 14 H PHE 14 -4.625 4.773 -7.162
76 HA PHE 14 HA PHE 14 -5.689 7.456 -6.779
77 HB2 PHE 14 2HB PHE 14 -8.058 6.320 -6.513
78 HB3 PHE 14 3HB PHE 14 -7.487 6.841 -8.094
79 HD1 PHE 14 HD2 PHE 14 -8.163 3.951 -5.945
80 HD2 PHE 14 HD1 PHE 14 -6.907 5.255 -9.792
81 HE1 PHE 14 HE2 PHE 14 -8.431 1.661 -6.802
82 HE2 PHE 14 HE1 PHE 14 -7.168 2.967 -10.658
83 HZ PHE 14 HZ PHE 14 -7.922 1.170 -9.159
84 H TYR 15 H TYR 15 -5.130 4.219 -5.557
85 HA TYR 15 HA TYR 15 -5.757 5.212 -2.852
86 HB2 TYR 15 2HB TYR 15 -7.341 3.434 -3.919
87 HB3 TYR 15 3HB TYR 15 -6.045 2.306 -3.549
88 HD1 TYR 15 HD1 TYR 15 -8.473 4.672 -2.064
89 HD2 TYR 15 HD2 TYR 15 -5.703 1.527 -1.325
90 HE1 TYR 15 HE1 TYR 15 -9.339 4.455 0.226
91 HE2 TYR 15 HE2 TYR 15 -6.564 1.303 0.967
92 HH TYR 15 HH TYR 15 -9.445 2.768 2.004
93 HA PRO 16 HA PRO 16 -1.343 3.831 -2.773
94 HB2 PRO 16 2HB PRO 16 -0.374 5.874 -1.271
95 HB3 PRO 16 3HB PRO 16 -0.626 6.019 -3.020
96 HG2 PRO 16 2HG PRO 16 -2.278 7.063 -0.784
97 HG3 PRO 16 3HG PRO 16 -1.914 7.791 -2.361
98 HD2 PRO 16 2HD PRO 16 -4.271 6.496 -1.739
99 HD3 PRO 16 3HD PRO 16 -3.652 6.738 -3.382
100 H CYS 17 H CYS 17 0.176 3.637 -0.738
101 HA CYS 17 HA CYS 17 -1.378 2.322 1.347
102 HB2 CYS 17 2HB CYS 17 0.706 1.347 0.171
103 HB3 CYS 17 3HB CYS 17 1.629 2.427 1.210
104 H CYS 18 H CYS 18 -0.801 2.632 3.647
105 HA CYS 18 HA CYS 18 -0.713 5.438 4.295
106 HB2 CYS 18 2HB CYS 18 -0.899 3.008 6.084
107 HB3 CYS 18 3HB CYS 18 -1.074 4.673 6.623
108 HA PRO 19 HA PRO 19 3.771 5.145 5.017
109 HB2 PRO 19 2HB PRO 19 4.356 7.751 4.647
110 HB3 PRO 19 3HB PRO 19 3.997 6.674 3.285
111 HG2 PRO 19 2HG PRO 19 2.288 8.738 4.556
112 HG3 PRO 19 3HG PRO 19 2.403 8.254 2.854
113 HD2 PRO 19 2HD PRO 19 0.424 7.435 4.640
114 HD3 PRO 19 3HD PRO 19 0.809 6.661 3.092
115 H GLY 20 H GLY 20 5.316 6.521 6.455
116 HA2 GLY 20 2HA GLY 20 5.630 7.865 8.403
117 HA3 GLY 20 3HA GLY 20 3.947 7.594 8.824
118 H LEU 21 H LEU 21 3.902 4.778 8.514
119 HA LEU 21 HA LEU 21 5.229 4.005 10.986
120 HB2 LEU 21 2HB LEU 21 3.220 2.577 9.243
121 HB3 LEU 21 3HB LEU 21 3.893 1.901 10.713
122 HG LEU 21 HG LEU 21 2.526 4.552 10.867
123 HD11 LEU 21 1HD1 LEU 21 0.368 3.432 11.190
124 HD12 LEU 21 2HD1 LEU 21 1.102 1.898 10.720
125 HD13 LEU 21 3HD1 LEU 21 0.985 3.214 9.552
126 HD21 LEU 21 3HD2 LEU 21 3.649 3.646 12.838
127 HD22 LEU 21 1HD2 LEU 21 2.686 2.172 12.719
128 HD23 LEU 21 2HD2 LEU 21 1.903 3.711 13.081
129 H GLY 22 H GLY 22 5.265 3.150 7.559
130 HA2 GLY 22 2HA GLY 22 7.535 2.550 6.713
131 HA3 GLY 22 3HA GLY 22 7.618 1.430 8.065
132 H LEU 23 H LEU 23 5.080 2.151 5.675
133 HA LEU 23 HA LEU 23 5.006 -0.719 5.004
134 HB2 LEU 23 2HB LEU 23 2.776 1.316 4.857
135 HB3 LEU 23 3HB LEU 23 2.646 -0.357 4.360
136 HG LEU 23 HG LEU 23 3.361 0.354 7.194
137 HD11 LEU 23 1HD1 LEU 23 0.996 0.215 7.767
138 HD12 LEU 23 2HD1 LEU 23 0.583 0.060 6.059
139 HD13 LEU 23 3HD1 LEU 23 1.302 1.555 6.660
140 HD21 LEU 23 3HD2 LEU 23 1.923 -2.026 6.028
141 HD22 LEU 23 1HD2 LEU 23 2.472 -1.825 7.691
142 HD23 LEU 23 2HD2 LEU 23 3.648 -1.982 6.387
143 H THR 24 H THR 24 4.708 -1.333 2.843
144 HA THR 24 HA THR 24 4.968 0.748 0.804
145 HB THR 24 HB THR 24 7.272 0.076 1.260
146 HG1 THR 24 HG1 THR 24 7.655 0.166 -0.813
147 HG21 THR 24 3HG2 THR 24 6.417 -2.733 0.527
148 HG22 THR 24 1HG2 THR 24 6.925 -2.186 2.125
149 HG23 THR 24 2HG2 THR 24 8.078 -2.202 0.790
150 H CYS 25 H CYS 25 4.384 0.094 -1.329
151 HA CYS 25 HA CYS 25 2.435 -2.084 -1.364
152 HB2 CYS 25 2HB CYS 25 2.900 0.321 -3.122
153 HB3 CYS 25 3HB CYS 25 1.831 -0.986 -3.607
154 H ILE 26 H ILE 26 2.904 -3.968 -2.290
155 HA ILE 26 HA ILE 26 4.968 -4.052 -4.388
156 HB ILE 26 HB ILE 26 4.609 -6.143 -2.217
157 HG12 ILE 26 2HG1 ILE 26 7.144 -4.605 -2.551
158 HG13 ILE 26 3HG1 ILE 26 5.786 -3.770 -1.807
159 HG21 ILE 26 1HG2 ILE 26 6.676 -5.972 -4.419
160 HG22 ILE 26 2HG2 ILE 26 5.338 -7.119 -4.344
161 HG23 ILE 26 3HG2 ILE 26 6.624 -7.186 -3.139
162 HD11 ILE 26 3HD1 ILE 26 7.306 -4.779 -0.166
163 HD12 ILE 26 1HD1 ILE 26 6.954 -6.370 -0.839
164 HD13 ILE 26 2HD1 ILE 26 5.674 -5.437 -0.065
165 HA PRO 27 HA PRO 27 5.475 -4.858 -6.248
166 HB2 PRO 27 2HB PRO 27 4.158 -4.566 -8.802
167 HB3 PRO 27 3HB PRO 27 5.419 -5.721 -8.344
168 HG2 PRO 27 2HG PRO 27 2.845 -6.408 -8.945
169 HG3 PRO 27 3HG PRO 27 3.938 -7.378 -7.938
170 HD2 PRO 27 2HD PRO 27 1.718 -5.569 -7.120
171 HD3 PRO 27 3HD PRO 27 2.243 -7.108 -6.407
172 H GLY 28 H GLY 28 2.255 -3.567 -7.065
173 HA2 GLY 28 2HA GLY 28 1.502 -1.380 -6.676
174 HA3 GLY 28 3HA GLY 28 3.163 -0.870 -6.430
175 H ASN 29 H ASN 29 2.066 -2.715 -9.231
176 HA ASN 29 HA ASN 29 2.023 -0.326 -10.892
177 HB2 ASN 29 2HB ASN 29 3.577 -1.424 -12.581
178 HB3 ASN 29 3HB ASN 29 4.321 -0.787 -11.123
179 HD21 ASN 29 1HD2 ASN 29 5.210 -2.199 -9.632
180 HD22 ASN 29 2HD2 ASN 29 5.506 -3.863 -9.990
181 HA PRO 30 HA PRO 30 0.174 0.248 -10.812
182 HB2 PRO 30 2HB PRO 30 -2.523 0.360 -10.959
183 HB3 PRO 30 3HB PRO 30 -1.481 0.694 -12.352
184 HG2 PRO 30 2HG PRO 30 -3.187 -1.638 -11.815
185 HG3 PRO 30 3HG PRO 30 -2.603 -0.992 -13.357
186 HD2 PRO 30 2HD PRO 30 -1.561 -3.213 -11.899
187 HD3 PRO 30 3HD PRO 30 -0.933 -2.509 -13.400
188 H ASP 31 H ASP 31 -1.411 -2.763 -9.962
189 HA ASP 31 HA ASP 31 -2.222 -1.813 -7.334
190 HB2 ASP 31 2HB ASP 31 -3.494 -3.472 -8.946
191 HB3 ASP 31 3HB ASP 31 -2.455 -4.670 -8.183
192 H GLY 32 H GLY 32 -1.605 -2.863 -5.390
193 HA2 GLY 32 2HA GLY 32 0.692 -4.636 -5.379
194 HA3 GLY 32 3HA GLY 32 0.994 -3.028 -4.741
195 H THR 33 H THR 33 1.528 -4.638 -2.912
196 HA THR 33 HA THR 33 -0.857 -4.862 -1.188
197 HB THR 33 HB THR 33 1.458 -6.706 -0.747
198 HG1 THR 33 HG1 THR 33 1.113 -7.750 -2.549
199 HG21 THR 33 3HG2 THR 33 -0.391 -6.656 0.860
200 HG22 THR 33 1HG2 THR 33 -0.318 -8.214 0.036
201 HG23 THR 33 2HG2 THR 33 -1.533 -7.024 -0.432
202 H CYS 34 H CYS 34 -0.613 -4.229 0.945
203 HA CYS 34 HA CYS 34 1.691 -2.534 1.470
204 HB2 CYS 34 2HB CYS 34 -0.975 -2.885 2.812
205 HB3 CYS 34 3HB CYS 34 0.323 -1.982 3.586
206 H TYR 35 H TYR 35 3.424 -3.351 2.328
207 HA TYR 35 HA TYR 35 3.195 -5.290 4.536
208 HB2 TYR 35 2HB TYR 35 5.025 -5.320 2.152
209 HB3 TYR 35 3HB TYR 35 5.528 -6.074 3.658
210 HD1 TYR 35 HD1 TYR 35 3.922 -7.861 4.653
211 HD2 TYR 35 HD2 TYR 35 3.755 -6.532 0.609
212 HE1 TYR 35 HE1 TYR 35 2.723 -9.914 4.032
213 HE2 TYR 35 HE2 TYR 35 2.553 -8.583 -0.016
214 HH TYR 35 HH TYR 35 2.265 -10.874 0.810
215 H TYR 36 H TYR 36 5.027 -5.261 6.043
216 HA TYR 36 HA TYR 36 5.951 -2.530 6.504
217 HB2 TYR 36 2HB TYR 36 4.839 -4.100 8.261
218 HB3 TYR 36 3HB TYR 36 6.433 -4.837 8.369
219 HD1 TYR 36 HD1 TYR 36 4.464 -1.811 9.039
220 HD2 TYR 36 HD2 TYR 36 8.279 -3.660 9.400
221 HE1 TYR 36 HE1 TYR 36 5.151 -0.070 10.634
222 HE2 TYR 36 HE2 TYR 36 8.976 -1.924 10.996
223 HH TYR 36 HH TYR 36 6.794 0.223 12.447
224 H LEU 37 H LEU 37 8.021 -1.881 6.414
225 HA LEU 37 HA LEU 37 10.008 -3.799 5.435
226 HB2 LEU 37 2HB LEU 37 9.869 -0.789 5.358
227 HB3 LEU 37 3HB LEU 37 11.325 -1.669 4.940
228 HG LEU 37 HG LEU 37 8.767 -2.316 3.527
229 HD11 LEU 37 1HD1 LEU 37 9.428 -0.609 1.814
230 HD12 LEU 37 2HD1 LEU 37 10.546 0.055 3.005
231 HD13 LEU 37 3HD1 LEU 37 8.812 0.054 3.328
232 HD21 LEU 37 3HD2 LEU 37 10.724 -3.731 3.150
233 HD22 LEU 37 1HD2 LEU 37 11.668 -2.314 2.686
234 HD23 LEU 37 2HD2 LEU 37 10.305 -2.831 1.692
Start of MODEL 18
1 H1 PCA 1 H PCA 1 -11.542 7.108 3.199
2 HA PCA 1 HA PCA 1 -10.154 7.436 5.107
3 HB2 PCA 1 3HB PCA 1 -9.820 5.129 5.675
4 HB3 PCA 1 2HB PCA 1 -8.198 5.369 4.918
5 HG2 PCA 1 3HG PCA 1 -9.549 3.698 3.684
6 HG3 PCA 1 2HG PCA 1 -10.754 3.841 4.990
7 H GLY 2 H GLY 2 -8.803 6.317 2.007
8 HA2 GLY 2 2HA GLY 2 -7.556 8.002 0.699
9 HA3 GLY 2 3HA GLY 2 -6.734 8.422 2.194
10 H CYS 3 H CYS 3 -5.463 6.650 3.223
11 HA CYS 3 HA CYS 3 -3.991 5.186 1.153
12 HB2 CYS 3 2HB CYS 3 -2.179 5.043 2.798
13 HB3 CYS 3 3HB CYS 3 -2.678 6.712 2.550
14 H ALA 4 H ALA 4 -3.259 2.996 1.581
15 HA ALA 4 HA ALA 4 -5.319 1.435 2.935
16 HB1 ALA 4 3HB ALA 4 -4.241 1.050 0.539
17 HB2 ALA 4 1HB ALA 4 -4.811 -0.289 1.539
18 HB3 ALA 4 2HB ALA 4 -3.095 0.109 1.498
19 H PHE 5 H PHE 5 -4.949 -0.097 4.482
20 HA PHE 5 HA PHE 5 -2.636 0.313 6.186
21 HB2 PHE 5 2HB PHE 5 -4.782 -1.733 6.712
22 HB3 PHE 5 3HB PHE 5 -3.844 -0.795 7.868
23 HD1 PHE 5 HD2 PHE 5 -4.455 1.517 8.378
24 HD2 PHE 5 HD1 PHE 5 -6.752 -0.852 5.693
25 HE1 PHE 5 HE2 PHE 5 -6.297 3.141 8.523
26 HE2 PHE 5 HE1 PHE 5 -8.594 0.768 5.830
27 HZ PHE 5 HZ PHE 5 -8.363 2.764 7.240
28 H GLU 6 H GLU 6 -1.832 -1.876 7.271
29 HA GLU 6 HA GLU 6 -0.460 -3.340 5.234
30 HB2 GLU 6 2HB GLU 6 0.382 -2.702 7.575
31 HB3 GLU 6 3HB GLU 6 -0.554 -4.067 8.158
32 HG2 GLU 6 2HG GLU 6 0.756 -5.554 6.683
33 HG3 GLU 6 3HG GLU 6 1.734 -4.171 6.198
34 H GLY 7 H GLY 7 -0.799 -5.336 4.438
35 HA2 GLY 7 2HA GLY 7 -1.595 -7.565 4.469
36 HA3 GLY 7 3HA GLY 7 -2.745 -7.117 5.715
37 H GLU 8 H GLU 8 -2.786 -4.855 3.191
38 HA GLU 8 HA GLU 8 -4.881 -6.319 1.749
39 HB2 GLU 8 2HB GLU 8 -6.312 -4.306 1.685
40 HB3 GLU 8 3HB GLU 8 -6.067 -4.901 3.317
41 HG2 GLU 8 2HG GLU 8 -4.442 -3.125 3.728
42 HG3 GLU 8 3HG GLU 8 -4.662 -2.542 2.078
43 H SER 9 H SER 9 -5.604 -4.843 -0.242
44 HA SER 9 HA SER 9 -3.188 -4.482 -1.817
45 HB2 SER 9 2HB SER 9 -6.103 -4.438 -2.628
46 HB3 SER 9 3HB SER 9 -4.736 -4.365 -3.739
47 HG SER 9 HG SER 9 -4.092 -6.429 -2.775
48 H CYS 10 H CYS 10 -2.632 -2.644 -2.938
49 HA CYS 10 HA CYS 10 -4.100 -0.163 -2.400
50 HB2 CYS 10 2HB CYS 10 -1.824 0.949 -2.014
51 HB3 CYS 10 3HB CYS 10 -2.437 -0.066 -0.714
52 H ASN 11 H ASN 11 -4.337 1.044 -4.172
53 HA ASN 11 HA ASN 11 -2.798 0.347 -6.568
54 HB2 ASN 11 2HB ASN 11 -5.532 1.373 -6.086
55 HB3 ASN 11 3HB ASN 11 -4.709 2.015 -7.505
56 HD21 ASN 11 1HD2 ASN 11 -4.081 0.597 -9.152
57 HD22 ASN 11 2HD2 ASN 11 -4.818 -0.955 -9.334
58 H VAL 12 H VAL 12 -1.187 1.582 -7.178
59 HA VAL 12 HA VAL 12 -0.592 4.069 -5.901
60 HB VAL 12 HB VAL 12 1.372 4.181 -7.415
61 HG11 VAL 12 1HG1 VAL 12 2.533 2.250 -6.512
62 HG12 VAL 12 2HG1 VAL 12 0.994 1.487 -6.117
63 HG13 VAL 12 3HG1 VAL 12 1.482 2.968 -5.291
64 HG21 VAL 12 3HG2 VAL 12 0.303 1.602 -8.575
65 HG22 VAL 12 1HG2 VAL 12 1.896 2.290 -8.895
66 HG23 VAL 12 2HG2 VAL 12 0.444 3.143 -9.420
67 H GLN 13 H GLN 13 -2.950 3.675 -7.999
68 HA GLN 13 HA GLN 13 -2.347 6.007 -9.679
69 HB2 GLN 13 2HB GLN 13 -3.217 3.683 -10.540
70 HB3 GLN 13 3HB GLN 13 -4.779 4.291 -10.022
71 HG2 GLN 13 2HG GLN 13 -4.704 4.842 -12.272
72 HG3 GLN 13 3HG GLN 13 -4.238 6.342 -11.474
73 HE21 GLN 13 1HE2 GLN 13 -2.104 7.047 -11.605
74 HE22 GLN 13 2HE2 GLN 13 -1.000 6.421 -12.778
75 H PHE 14 H PHE 14 -4.502 4.872 -7.146
76 HA PHE 14 HA PHE 14 -5.527 7.577 -6.795
77 HB2 PHE 14 2HB PHE 14 -7.911 6.471 -6.520
78 HB3 PHE 14 3HB PHE 14 -7.331 6.970 -8.105
79 HD1 PHE 14 HD2 PHE 14 -8.037 4.107 -5.928
80 HD2 PHE 14 HD1 PHE 14 -6.771 5.362 -9.788
81 HE1 PHE 14 HE2 PHE 14 -8.330 1.812 -6.763
82 HE2 PHE 14 HE1 PHE 14 -7.056 3.070 -10.632
83 HZ PHE 14 HZ PHE 14 -7.828 1.294 -9.116
84 H TYR 15 H TYR 15 -5.017 4.348 -5.533
85 HA TYR 15 HA TYR 15 -5.644 5.377 -2.841
86 HB2 TYR 15 2HB TYR 15 -7.238 3.605 -3.884
87 HB3 TYR 15 3HB TYR 15 -5.946 2.467 -3.530
88 HD1 TYR 15 HD2 TYR 15 -8.288 4.897 -1.984
89 HD2 TYR 15 HD1 TYR 15 -5.656 1.615 -1.345
90 HE1 TYR 15 HE2 TYR 15 -9.138 4.670 0.312
91 HE2 TYR 15 HE1 TYR 15 -6.503 1.378 0.951
92 HH TYR 15 HH TYR 15 -9.304 2.940 2.051
93 HA PRO 16 HA PRO 16 -1.228 3.995 -2.738
94 HB2 PRO 16 2HB PRO 16 -0.275 6.030 -1.213
95 HB3 PRO 16 3HB PRO 16 -0.508 6.183 -2.964
96 HG2 PRO 16 2HG PRO 16 -2.188 7.214 -0.742
97 HG3 PRO 16 3HG PRO 16 -1.802 7.952 -2.308
98 HD2 PRO 16 2HD PRO 16 -4.169 6.662 -1.734
99 HD3 PRO 16 3HD PRO 16 -3.519 6.898 -3.366
100 H CYS 17 H CYS 17 0.270 3.734 -0.726
101 HA CYS 17 HA CYS 17 -1.298 2.440 1.362
102 HB2 CYS 17 2HB CYS 17 0.740 1.413 0.170
103 HB3 CYS 17 3HB CYS 17 1.710 2.482 1.178
104 H CYS 18 H CYS 18 -0.718 2.718 3.660
105 HA CYS 18 HA CYS 18 -0.537 5.515 4.335
106 HB2 CYS 18 2HB CYS 18 -0.800 3.067 6.090
107 HB3 CYS 18 3HB CYS 18 -0.896 4.728 6.663
108 HA PRO 19 HA PRO 19 3.939 5.087 5.039
109 HB2 PRO 19 2HB PRO 19 4.595 7.678 4.678
110 HB3 PRO 19 3HB PRO 19 4.202 6.617 3.313
111 HG2 PRO 19 2HG PRO 19 2.558 8.726 4.593
112 HG3 PRO 19 3HG PRO 19 2.651 8.240 2.891
113 HD2 PRO 19 2HD PRO 19 0.659 7.476 4.691
114 HD3 PRO 19 3HD PRO 19 1.008 6.699 3.136
115 H GLY 20 H GLY 20 5.527 6.423 6.475
116 HA2 GLY 20 2HA GLY 20 5.869 7.765 8.426
117 HA3 GLY 20 3HA GLY 20 4.188 7.501 8.862
118 H LEU 21 H LEU 21 4.122 4.689 8.526
119 HA LEU 21 HA LEU 21 5.479 3.883 10.973
120 HB2 LEU 21 2HB LEU 21 3.421 2.492 9.258
121 HB3 LEU 21 3HB LEU 21 4.112 1.799 10.711
122 HG LEU 21 HG LEU 21 3.212 4.056 11.789
123 HD11 LEU 21 1HD1 LEU 21 2.399 5.005 9.699
124 HD12 LEU 21 2HD1 LEU 21 1.064 4.697 10.810
125 HD13 LEU 21 3HD1 LEU 21 1.354 3.605 9.455
126 HD21 LEU 21 3HD2 LEU 21 1.173 2.841 12.409
127 HD22 LEU 21 1HD2 LEU 21 2.606 1.817 12.505
128 HD23 LEU 21 2HD2 LEU 21 1.500 1.660 11.140
129 H GLY 22 H GLY 22 5.469 3.099 7.537
130 HA2 GLY 22 2HA GLY 22 7.699 2.458 6.639
131 HA3 GLY 22 3HA GLY 22 7.794 1.325 7.979
132 H LEU 23 H LEU 23 5.253 2.118 5.616
133 HA LEU 23 HA LEU 23 5.064 -0.751 4.967
134 HB2 LEU 23 2HB LEU 23 2.927 1.378 4.792
135 HB3 LEU 23 3HB LEU 23 2.723 -0.295 4.317
136 HG LEU 23 HG LEU 23 3.473 0.416 7.141
137 HD11 LEU 23 1HD1 LEU 23 0.682 0.262 6.011
138 HD12 LEU 23 2HD1 LEU 23 1.481 1.719 6.602
139 HD13 LEU 23 3HD1 LEU 23 1.103 0.406 7.717
140 HD21 LEU 23 3HD2 LEU 23 3.636 -1.938 6.363
141 HD22 LEU 23 1HD2 LEU 23 1.912 -1.897 5.997
142 HD23 LEU 23 2HD2 LEU 23 2.467 -1.708 7.661
143 H THR 24 H THR 24 4.758 -1.379 2.819
144 HA THR 24 HA THR 24 5.087 0.664 0.750
145 HB THR 24 HB THR 24 7.364 -0.083 1.192
146 HG1 THR 24 HG1 THR 24 6.759 0.324 -0.997
147 HG21 THR 24 3HG2 THR 24 6.936 -2.307 2.126
148 HG22 THR 24 1HG2 THR 24 8.086 -2.399 0.791
149 HG23 THR 24 2HG2 THR 24 6.408 -2.881 0.545
150 H CYS 25 H CYS 25 4.438 0.029 -1.359
151 HA CYS 25 HA CYS 25 2.420 -2.085 -1.362
152 HB2 CYS 25 2HB CYS 25 2.944 0.295 -3.136
153 HB3 CYS 25 3HB CYS 25 1.825 -0.976 -3.602
154 H ILE 26 H ILE 26 2.811 -3.987 -2.286
155 HA ILE 26 HA ILE 26 4.852 -4.152 -4.401
156 HB ILE 26 HB ILE 26 4.429 -6.211 -2.211
157 HG12 ILE 26 2HG1 ILE 26 7.024 -4.791 -2.595
158 HG13 ILE 26 3HG1 ILE 26 5.714 -3.885 -1.850
159 HG21 ILE 26 1HG2 ILE 26 6.478 -6.157 -4.435
160 HG22 ILE 26 2HG2 ILE 26 5.088 -7.238 -4.341
161 HG23 ILE 26 3HG2 ILE 26 6.378 -7.357 -3.145
162 HD11 ILE 26 3HD1 ILE 26 6.761 -6.524 -0.852
163 HD12 ILE 26 1HD1 ILE 26 5.549 -5.506 -0.076
164 HD13 ILE 26 2HD1 ILE 26 7.214 -4.943 -0.215
165 HA PRO 27 HA PRO 27 5.311 -4.962 -6.262
166 HB2 PRO 27 2HB PRO 27 3.986 -4.630 -8.808
167 HB3 PRO 27 3HB PRO 27 5.214 -5.823 -8.358
168 HG2 PRO 27 2HG PRO 27 2.620 -6.437 -8.940
169 HG3 PRO 27 3HG PRO 27 3.686 -7.433 -7.929
170 HD2 PRO 27 2HD PRO 27 1.530 -5.543 -7.116
171 HD3 PRO 27 3HD PRO 27 1.998 -7.099 -6.400
172 H GLY 28 H GLY 28 2.128 -3.562 -7.067
173 HA2 GLY 28 2HA GLY 28 1.455 -1.347 -6.691
174 HA3 GLY 28 3HA GLY 28 3.134 -0.897 -6.440
175 H ASN 29 H ASN 29 1.993 -2.720 -9.229
176 HA ASN 29 HA ASN 29 2.063 -0.347 -10.915
177 HB2 ASN 29 2HB ASN 29 3.554 -1.580 -12.587
178 HB3 ASN 29 3HB ASN 29 4.326 -0.915 -11.156
179 HD21 ASN 29 1HD2 ASN 29 3.443 -3.787 -12.869
180 HD22 ASN 29 2HD2 ASN 29 4.339 -4.898 -11.895
181 HA PRO 30 HA PRO 30 0.229 0.289 -10.765
182 HB2 PRO 30 2HB PRO 30 -2.464 0.518 -10.897
183 HB3 PRO 30 3HB PRO 30 -1.411 0.831 -12.287
184 HG2 PRO 30 2HG PRO 30 -3.227 -1.421 -11.797
185 HG3 PRO 30 3HG PRO 30 -2.586 -0.795 -13.324
186 HD2 PRO 30 2HD PRO 30 -1.678 -3.071 -11.843
187 HD3 PRO 30 3HD PRO 30 -1.023 -2.422 -13.357
188 H ASP 31 H ASP 31 -1.489 -2.655 -9.936
189 HA ASP 31 HA ASP 31 -2.216 -1.677 -7.294
190 HB2 ASP 31 2HB ASP 31 -3.310 -3.935 -7.052
191 HB3 ASP 31 3HB ASP 31 -3.942 -2.937 -8.353
192 H GLY 32 H GLY 32 -1.654 -2.734 -5.347
193 HA2 GLY 32 2HA GLY 32 0.500 -4.680 -5.353
194 HA3 GLY 32 3HA GLY 32 0.932 -3.094 -4.735
195 H THR 33 H THR 33 1.392 -4.644 -2.879
196 HA THR 33 HA THR 33 -0.976 -4.737 -1.124
197 HB THR 33 HB THR 33 1.253 -6.683 -0.682
198 HG1 THR 33 HG1 THR 33 0.120 -8.166 -2.097
199 HG21 THR 33 3HG2 THR 33 -0.583 -8.091 0.145
200 HG22 THR 33 1HG2 THR 33 -1.745 -6.850 -0.325
201 HG23 THR 33 2HG2 THR 33 -0.569 -6.520 0.947
202 H CYS 34 H CYS 34 -0.656 -4.132 1.018
203 HA CYS 34 HA CYS 34 1.716 -2.510 1.475
204 HB2 CYS 34 2HB CYS 34 -0.921 -2.763 2.898
205 HB3 CYS 34 3HB CYS 34 0.425 -1.876 3.604
206 H TYR 35 H TYR 35 3.433 -3.334 2.355
207 HA TYR 35 HA TYR 35 3.173 -5.258 4.570
208 HB2 TYR 35 2HB TYR 35 4.971 -5.377 2.164
209 HB3 TYR 35 3HB TYR 35 5.464 -6.132 3.672
210 HD1 TYR 35 HD2 TYR 35 3.822 -7.857 4.702
211 HD2 TYR 35 HD1 TYR 35 3.626 -6.550 0.653
212 HE1 TYR 35 HE2 TYR 35 2.539 -9.871 4.119
213 HE2 TYR 35 HE1 TYR 35 2.345 -8.564 0.064
214 HH TYR 35 HH TYR 35 0.964 -10.614 2.385
215 H TYR 36 H TYR 36 4.987 -5.258 6.074
216 HA TYR 36 HA TYR 36 6.019 -2.560 6.482
217 HB2 TYR 36 2HB TYR 36 4.863 -4.012 8.281
218 HB3 TYR 36 3HB TYR 36 6.388 -4.885 8.363
219 HD1 TYR 36 HD1 TYR 36 4.738 -1.650 8.993
220 HD2 TYR 36 HD2 TYR 36 8.315 -3.915 9.420
221 HE1 TYR 36 HE1 TYR 36 5.606 0.026 10.569
222 HE2 TYR 36 HE2 TYR 36 9.192 -2.245 10.996
223 HH TYR 36 HH TYR 36 7.253 0.167 12.387
224 H LEU 37 H LEU 37 8.104 -1.980 6.352
225 HA LEU 37 HA LEU 37 10.019 -3.973 5.381
226 HB2 LEU 37 2HB LEU 37 9.963 -0.963 5.273
227 HB3 LEU 37 3HB LEU 37 11.400 -1.881 4.868
228 HG LEU 37 HG LEU 37 8.831 -2.491 3.459
229 HD11 LEU 37 1HD1 LEU 37 9.508 -0.817 1.732
230 HD12 LEU 37 2HD1 LEU 37 10.664 -0.169 2.895
231 HD13 LEU 37 3HD1 LEU 37 8.936 -0.117 3.246
232 HD21 LEU 37 3HD2 LEU 37 11.733 -2.556 2.624
233 HD22 LEU 37 1HD2 LEU 37 10.362 -3.056 1.633
234 HD23 LEU 37 2HD2 LEU 37 10.760 -3.948 3.101
Start of MODEL 19
1 H1 PCA 1 H PCA 1 -8.500 11.632 3.770
2 HA PCA 1 HA PCA 1 -6.731 10.773 2.427
3 HB2 PCA 1 3HB PCA 1 -4.954 11.024 4.022
4 HB3 PCA 1 2HB PCA 1 -5.152 9.241 4.241
5 HG2 PCA 1 3HG PCA 1 -5.669 10.486 6.321
6 HG3 PCA 1 2HG PCA 1 -5.110 11.952 5.475
7 H GLY 2 H GLY 2 -6.758 8.836 1.325
8 HA2 GLY 2 2HA GLY 2 -8.214 6.589 2.581
9 HA3 GLY 2 3HA GLY 2 -8.344 7.003 0.878
10 H CYS 3 H CYS 3 -5.897 6.122 3.307
11 HA CYS 3 HA CYS 3 -4.324 4.790 1.224
12 HB2 CYS 3 2HB CYS 3 -2.522 4.724 2.887
13 HB3 CYS 3 3HB CYS 3 -3.125 6.363 2.671
14 H ALA 4 H ALA 4 -3.458 2.643 1.604
15 HA ALA 4 HA ALA 4 -5.428 0.915 2.881
16 HB1 ALA 4 3HB ALA 4 -4.774 -0.732 1.457
17 HB2 ALA 4 1HB ALA 4 -3.086 -0.222 1.471
18 HB3 ALA 4 2HB ALA 4 -4.267 0.665 0.506
19 H PHE 5 H PHE 5 -5.000 -0.608 4.412
20 HA PHE 5 HA PHE 5 -2.753 -0.096 6.174
21 HB2 PHE 5 2HB PHE 5 -4.784 -2.278 6.608
22 HB3 PHE 5 3HB PHE 5 -3.926 -1.316 7.805
23 HD1 PHE 5 HD2 PHE 5 -4.680 0.944 8.356
24 HD2 PHE 5 HD1 PHE 5 -6.779 -1.485 5.563
25 HE1 PHE 5 HE2 PHE 5 -6.616 2.457 8.496
26 HE2 PHE 5 HE1 PHE 5 -8.713 0.023 5.695
27 HZ PHE 5 HZ PHE 5 -8.628 1.994 7.157
28 H GLU 6 H GLU 6 -1.845 -2.260 7.235
29 HA GLU 6 HA GLU 6 -0.338 -3.591 5.201
30 HB2 GLU 6 2HB GLU 6 0.400 -2.952 7.583
31 HB3 GLU 6 3HB GLU 6 -0.450 -4.396 8.103
32 HG2 GLU 6 2HG GLU 6 0.996 -5.752 6.645
33 HG3 GLU 6 3HG GLU 6 1.872 -4.294 6.185
34 H GLY 7 H GLY 7 -0.563 -5.566 4.330
35 HA2 GLY 7 2HA GLY 7 -1.214 -7.840 4.281
36 HA3 GLY 7 3HA GLY 7 -2.391 -7.510 5.537
37 H GLU 8 H GLU 8 -2.566 -5.178 3.077
38 HA GLU 8 HA GLU 8 -4.571 -6.724 1.594
39 HB2 GLU 8 2HB GLU 8 -6.113 -4.791 1.576
40 HB3 GLU 8 3HB GLU 8 -5.842 -5.421 3.190
41 HG2 GLU 8 2HG GLU 8 -4.331 -3.571 3.673
42 HG3 GLU 8 3HG GLU 8 -4.554 -2.956 2.035
43 H SER 9 H SER 9 -5.382 -5.229 -0.355
44 HA SER 9 HA SER 9 -2.991 -4.705 -1.923
45 HB2 SER 9 2HB SER 9 -5.907 -4.790 -2.730
46 HB3 SER 9 3HB SER 9 -4.548 -4.618 -3.841
47 HG SER 9 HG SER 9 -5.258 -6.837 -2.245
48 H CYS 10 H CYS 10 -2.591 -2.822 -3.076
49 HA CYS 10 HA CYS 10 -4.162 -0.428 -2.464
50 HB2 CYS 10 2HB CYS 10 -1.938 0.791 -2.060
51 HB3 CYS 10 3HB CYS 10 -2.514 -0.260 -0.772
52 H ASN 11 H ASN 11 -4.439 0.820 -4.216
53 HA ASN 11 HA ASN 11 -2.840 0.234 -6.604
54 HB2 ASN 11 2HB ASN 11 -5.416 0.089 -6.592
55 HB3 ASN 11 3HB ASN 11 -5.383 1.848 -6.582
56 HD21 ASN 11 1HD2 ASN 11 -4.139 -0.954 -8.357
57 HD22 ASN 11 2HD2 ASN 11 -4.174 -0.203 -9.912
58 H VAL 12 H VAL 12 -1.329 1.564 -7.218
59 HA VAL 12 HA VAL 12 -0.799 4.013 -5.857
60 HB VAL 12 HB VAL 12 1.131 4.247 -7.396
61 HG11 VAL 12 1HG1 VAL 12 1.333 2.946 -5.343
62 HG12 VAL 12 2HG1 VAL 12 2.347 2.278 -6.622
63 HG13 VAL 12 3HG1 VAL 12 0.822 1.493 -6.205
64 HG21 VAL 12 3HG2 VAL 12 1.673 2.445 -8.977
65 HG22 VAL 12 1HG2 VAL 12 0.189 3.283 -9.433
66 HG23 VAL 12 2HG2 VAL 12 0.106 1.699 -8.661
67 H GLN 13 H GLN 13 -3.171 3.633 -7.989
68 HA GLN 13 HA GLN 13 -2.643 6.083 -9.519
69 HB2 GLN 13 2HB GLN 13 -3.440 3.807 -10.536
70 HB3 GLN 13 3HB GLN 13 -5.021 4.310 -9.964
71 HG2 GLN 13 2HG GLN 13 -4.991 5.018 -12.171
72 HG3 GLN 13 3HG GLN 13 -4.583 6.478 -11.273
73 HE21 GLN 13 1HE2 GLN 13 -3.409 3.988 -13.394
74 HE22 GLN 13 2HE2 GLN 13 -1.932 4.770 -13.831
75 H PHE 14 H PHE 14 -4.775 4.739 -7.069
76 HA PHE 14 HA PHE 14 -5.869 7.394 -6.568
77 HB2 PHE 14 2HB PHE 14 -8.216 6.199 -6.339
78 HB3 PHE 14 3HB PHE 14 -7.663 6.805 -7.895
79 HD1 PHE 14 HD1 PHE 14 -8.253 3.800 -5.878
80 HD2 PHE 14 HD2 PHE 14 -7.075 5.318 -9.672
81 HE1 PHE 14 HE1 PHE 14 -8.476 1.548 -6.842
82 HE2 PHE 14 HE2 PHE 14 -7.300 3.071 -10.646
83 HZ PHE 14 HZ PHE 14 -7.991 1.185 -9.227
84 H TYR 15 H TYR 15 -5.270 4.114 -5.471
85 HA TYR 15 HA TYR 15 -5.936 4.994 -2.735
86 HB2 TYR 15 2HB TYR 15 -7.430 3.189 -3.860
87 HB3 TYR 15 3HB TYR 15 -6.079 2.107 -3.558
88 HD1 TYR 15 HD1 TYR 15 -8.535 4.342 -1.896
89 HD2 TYR 15 HD2 TYR 15 -5.745 1.164 -1.419
90 HE1 TYR 15 HE1 TYR 15 -9.364 3.965 0.388
91 HE2 TYR 15 HE2 TYR 15 -6.569 0.779 0.865
92 HH TYR 15 HH TYR 15 -7.733 2.020 2.638
93 HA PRO 16 HA PRO 16 -1.455 3.839 -2.663
94 HB2 PRO 16 2HB PRO 16 -0.602 5.888 -1.099
95 HB3 PRO 16 3HB PRO 16 -0.840 6.063 -2.846
96 HG2 PRO 16 2HG PRO 16 -2.565 6.974 -0.608
97 HG3 PRO 16 3HG PRO 16 -2.220 7.755 -2.163
98 HD2 PRO 16 2HD PRO 16 -4.519 6.335 -1.600
99 HD3 PRO 16 3HD PRO 16 -3.894 6.643 -3.229
100 H CYS 17 H CYS 17 0.049 3.623 -0.638
101 HA CYS 17 HA CYS 17 -1.464 2.203 1.406
102 HB2 CYS 17 2HB CYS 17 0.651 1.328 0.222
103 HB3 CYS 17 3HB CYS 17 1.538 2.429 1.272
104 H CYS 18 H CYS 18 -0.926 2.469 3.718
105 HA CYS 18 HA CYS 18 -0.925 5.258 4.447
106 HB2 CYS 18 2HB CYS 18 -1.051 2.766 6.154
107 HB3 CYS 18 3HB CYS 18 -1.258 4.407 6.756
108 HA PRO 19 HA PRO 19 3.563 5.095 5.179
109 HB2 PRO 19 2HB PRO 19 4.058 7.730 4.884
110 HB3 PRO 19 3HB PRO 19 3.742 6.678 3.491
111 HG2 PRO 19 2HG PRO 19 1.959 8.649 4.806
112 HG3 PRO 19 3HG PRO 19 2.095 8.210 3.093
113 HD2 PRO 19 2HD PRO 19 0.142 7.280 4.856
114 HD3 PRO 19 3HD PRO 19 0.553 6.562 3.288
115 H GLY 20 H GLY 20 5.057 6.495 6.655
116 HA2 GLY 20 2HA GLY 20 5.323 7.789 8.641
117 HA3 GLY 20 3HA GLY 20 3.649 7.452 9.050
118 H LEU 21 H LEU 21 3.714 4.641 8.642
119 HA LEU 21 HA LEU 21 5.060 3.840 11.098
120 HB2 LEU 21 2HB LEU 21 3.095 2.394 9.320
121 HB3 LEU 21 3HB LEU 21 3.780 1.714 10.782
122 HG LEU 21 HG LEU 21 2.336 4.321 10.978
123 HD11 LEU 21 1HD1 LEU 21 0.207 3.140 11.256
124 HD12 LEU 21 2HD1 LEU 21 0.984 1.634 10.769
125 HD13 LEU 21 3HD1 LEU 21 0.844 2.965 9.620
126 HD21 LEU 21 3HD2 LEU 21 1.721 3.416 13.168
127 HD22 LEU 21 1HD2 LEU 21 3.469 3.402 12.937
128 HD23 LEU 21 2HD2 LEU 21 2.547 1.907 12.779
129 H GLY 22 H GLY 22 5.131 3.124 7.646
130 HA2 GLY 22 2HA GLY 22 7.395 2.596 6.765
131 HA3 GLY 22 3HA GLY 22 7.528 1.449 8.089
132 H LEU 23 H LEU 23 5.013 2.169 5.672
133 HA LEU 23 HA LEU 23 4.956 -0.698 4.989
134 HB2 LEU 23 2HB LEU 23 2.717 1.323 4.808
135 HB3 LEU 23 3HB LEU 23 2.604 -0.357 4.330
136 HG LEU 23 HG LEU 23 3.285 0.388 7.163
137 HD11 LEU 23 1HD1 LEU 23 0.913 0.257 7.712
138 HD12 LEU 23 2HD1 LEU 23 0.518 0.089 6.002
139 HD13 LEU 23 3HD1 LEU 23 1.234 1.587 6.599
140 HD21 LEU 23 3HD2 LEU 23 3.576 -1.954 6.377
141 HD22 LEU 23 1HD2 LEU 23 1.853 -2.001 6.008
142 HD23 LEU 23 2HD2 LEU 23 2.393 -1.785 7.673
143 H THR 24 H THR 24 4.723 -1.303 2.826
144 HA THR 24 HA THR 24 4.972 0.794 0.799
145 HB THR 24 HB THR 24 7.277 0.155 1.262
146 HG1 THR 24 HG1 THR 24 7.082 0.596 -0.857
147 HG21 THR 24 3HG2 THR 24 6.447 -2.674 0.582
148 HG22 THR 24 1HG2 THR 24 6.991 -2.091 2.155
149 HG23 THR 24 2HG2 THR 24 8.110 -2.127 0.792
150 H CYS 25 H CYS 25 4.357 0.186 -1.320
151 HA CYS 25 HA CYS 25 2.473 -2.047 -1.397
152 HB2 CYS 25 2HB CYS 25 2.854 0.412 -3.100
153 HB3 CYS 25 3HB CYS 25 1.812 -0.910 -3.601
154 H ILE 26 H ILE 26 3.022 -3.900 -2.340
155 HA ILE 26 HA ILE 26 5.032 -3.868 -4.490
156 HB ILE 26 HB ILE 26 4.834 -5.997 -2.335
157 HG12 ILE 26 2HG1 ILE 26 7.284 -4.339 -2.697
158 HG13 ILE 26 3HG1 ILE 26 5.902 -3.564 -1.935
159 HG21 ILE 26 1HG2 ILE 26 5.564 -6.908 -4.490
160 HG22 ILE 26 2HG2 ILE 26 6.880 -6.920 -3.316
161 HG23 ILE 26 3HG2 ILE 26 6.838 -5.690 -4.579
162 HD11 ILE 26 3HD1 ILE 26 5.893 -5.187 -0.174
163 HD12 ILE 26 1HD1 ILE 26 7.522 -4.536 -0.339
164 HD13 ILE 26 2HD1 ILE 26 7.142 -6.134 -0.981
165 HA PRO 27 HA PRO 27 5.537 -4.650 -6.361
166 HB2 PRO 27 2HB PRO 27 4.156 -4.427 -8.889
167 HB3 PRO 27 3HB PRO 27 5.482 -5.517 -8.455
168 HG2 PRO 27 2HG PRO 27 2.937 -6.337 -9.003
169 HG3 PRO 27 3HG PRO 27 4.092 -7.244 -8.006
170 HD2 PRO 27 2HD PRO 27 1.804 -5.529 -7.165
171 HD3 PRO 27 3HD PRO 27 2.402 -7.043 -6.455
172 H GLY 28 H GLY 28 2.245 -3.508 -7.135
173 HA2 GLY 28 2HA GLY 28 1.402 -1.354 -6.741
174 HA3 GLY 28 3HA GLY 28 3.042 -0.772 -6.511
175 H ASN 29 H ASN 29 2.035 -2.676 -9.298
176 HA ASN 29 HA ASN 29 1.912 -0.283 -10.962
177 HB2 ASN 29 2HB ASN 29 3.427 -1.426 -12.677
178 HB3 ASN 29 3HB ASN 29 4.194 -0.729 -11.259
179 HD21 ASN 29 1HD2 ASN 29 3.414 -3.639 -12.962
180 HD22 ASN 29 2HD2 ASN 29 4.394 -4.704 -12.019
181 HA PRO 30 HA PRO 30 0.060 0.306 -10.856
182 HB2 PRO 30 2HB PRO 30 -2.624 0.437 -10.924
183 HB3 PRO 30 3HB PRO 30 -1.642 0.690 -12.378
184 HG2 PRO 30 2HG PRO 30 -3.281 -1.645 -11.599
185 HG3 PRO 30 3HG PRO 30 -2.904 -1.012 -13.210
186 HD2 PRO 30 2HD PRO 30 -1.658 -3.197 -11.929
187 HD3 PRO 30 3HD PRO 30 -1.127 -2.397 -13.419
188 H ASP 31 H ASP 31 -1.457 -2.714 -9.930
189 HA ASP 31 HA ASP 31 -2.169 -1.728 -7.280
190 HB2 ASP 31 2HB ASP 31 -3.571 -3.321 -8.850
191 HB3 ASP 31 3HB ASP 31 -2.569 -4.568 -8.116
192 H GLY 32 H GLY 32 -1.556 -2.851 -5.362
193 HA2 GLY 32 2HA GLY 32 0.678 -4.695 -5.438
194 HA3 GLY 32 3HA GLY 32 1.058 -3.107 -4.792
195 H THR 33 H THR 33 1.594 -4.670 -2.965
196 HA THR 33 HA THR 33 -0.762 -4.907 -1.206
197 HB THR 33 HB THR 33 1.565 -6.737 -0.785
198 HG1 THR 33 HG1 THR 33 -0.411 -7.817 -2.372
199 HG21 THR 33 3HG2 THR 33 -1.422 -7.072 -0.459
200 HG22 THR 33 1HG2 THR 33 -0.276 -6.699 0.829
201 HG23 THR 33 2HG2 THR 33 -0.199 -8.255 0.002
202 H CYS 34 H CYS 34 -0.473 -4.318 0.944
203 HA CYS 34 HA CYS 34 1.813 -2.582 1.427
204 HB2 CYS 34 2HB CYS 34 -0.808 -2.993 2.843
205 HB3 CYS 34 3HB CYS 34 0.492 -2.053 3.568
206 H TYR 35 H TYR 35 3.572 -3.340 2.280
207 HA TYR 35 HA TYR 35 3.418 -5.346 4.433
208 HB2 TYR 35 2HB TYR 35 5.270 -5.204 2.070
209 HB3 TYR 35 3HB TYR 35 5.794 -5.984 3.556
210 HD1 TYR 35 HD1 TYR 35 4.302 -7.895 4.462
211 HD2 TYR 35 HD2 TYR 35 4.041 -6.403 0.481
212 HE1 TYR 35 HE1 TYR 35 3.211 -9.981 3.756
213 HE2 TYR 35 HE2 TYR 35 2.946 -8.487 -0.229
214 HH TYR 35 HH TYR 35 1.725 -10.767 1.963
215 H TYR 36 H TYR 36 5.190 -5.261 5.984
216 HA TYR 36 HA TYR 36 6.001 -2.507 6.515
217 HB2 TYR 36 2HB TYR 36 4.890 -4.097 8.226
218 HB3 TYR 36 3HB TYR 36 6.473 -4.856 8.342
219 HD1 TYR 36 HD2 TYR 36 4.584 -1.743 8.959
220 HD2 TYR 36 HD1 TYR 36 8.260 -3.809 9.537
221 HE1 TYR 36 HE2 TYR 36 5.268 -0.056 10.613
222 HE2 TYR 36 HE1 TYR 36 8.952 -2.128 11.191
223 HH TYR 36 HH TYR 36 6.805 0.135 12.523
224 H LEU 37 H LEU 37 8.031 -1.776 6.413
225 HA LEU 37 HA LEU 37 10.121 -3.619 5.508
226 HB2 LEU 37 2HB LEU 37 9.847 -0.621 5.380
227 HB3 LEU 37 3HB LEU 37 11.350 -1.439 5.004
228 HG LEU 37 HG LEU 37 8.852 -2.223 3.552
229 HD11 LEU 37 1HD1 LEU 37 10.550 0.201 2.993
230 HD12 LEU 37 2HD1 LEU 37 8.821 0.159 3.338
231 HD13 LEU 37 3HD1 LEU 37 9.436 -0.518 1.831
232 HD21 LEU 37 3HD2 LEU 37 10.448 -2.699 1.758
233 HD22 LEU 37 1HD2 LEU 37 10.877 -3.556 3.239
234 HD23 LEU 37 2HD2 LEU 37 11.766 -2.107 2.769
Start of MODEL 20
1 H1 PCA 1 H PCA 1 -8.675 11.611 3.627
2 HA PCA 1 HA PCA 1 -6.631 10.546 3.026
3 HB2 PCA 1 3HB PCA 1 -5.634 10.489 5.210
4 HB3 PCA 1 2HB PCA 1 -6.118 8.748 5.180
5 HG2 PCA 1 3HG PCA 1 -7.277 9.993 6.982
6 HG3 PCA 1 2HG PCA 1 -6.252 11.387 6.556
7 H GLY 2 H GLY 2 -6.443 8.665 1.844
8 HA2 GLY 2 2HA GLY 2 -8.329 6.465 2.390
9 HA3 GLY 2 3HA GLY 2 -8.205 7.143 0.774
10 H CYS 3 H CYS 3 -5.853 6.145 3.260
11 HA CYS 3 HA CYS 3 -4.317 4.751 1.189
12 HB2 CYS 3 2HB CYS 3 -2.479 4.748 2.817
13 HB3 CYS 3 3HB CYS 3 -3.091 6.377 2.552
14 H ALA 4 H ALA 4 -3.505 2.613 1.553
15 HA ALA 4 HA ALA 4 -5.397 0.940 3.015
16 HB1 ALA 4 3HB ALA 4 -4.858 -0.752 1.587
17 HB2 ALA 4 1HB ALA 4 -3.172 -0.251 1.455
18 HB3 ALA 4 2HB ALA 4 -4.423 0.619 0.566
19 H PHE 5 H PHE 5 -4.781 -0.677 4.483
20 HA PHE 5 HA PHE 5 -2.321 -0.070 5.944
21 HB2 PHE 5 2HB PHE 5 -3.375 -1.516 7.756
22 HB3 PHE 5 3HB PHE 5 -4.181 0.003 7.409
23 HD1 PHE 5 HD1 PHE 5 -4.350 -3.656 6.814
24 HD2 PHE 5 HD2 PHE 5 -6.444 0.051 6.812
25 HE1 PHE 5 HE1 PHE 5 -6.476 -4.861 6.528
26 HE2 PHE 5 HE2 PHE 5 -8.572 -1.148 6.524
27 HZ PHE 5 HZ PHE 5 -8.590 -3.606 6.382
28 H GLU 6 H GLU 6 -1.406 -2.128 7.109
29 HA GLU 6 HA GLU 6 -0.189 -3.748 5.160
30 HB2 GLU 6 2HB GLU 6 0.548 -3.099 7.578
31 HB3 GLU 6 3HB GLU 6 -0.330 -4.545 8.048
32 HG2 GLU 6 2HG GLU 6 1.095 -5.860 6.507
33 HG3 GLU 6 3HG GLU 6 2.021 -4.399 6.172
34 H GLY 7 H GLY 7 -0.697 -5.635 4.258
35 HA2 GLY 7 2HA GLY 7 -1.499 -7.885 4.349
36 HA3 GLY 7 3HA GLY 7 -2.646 -7.399 5.579
37 H GLU 8 H GLU 8 -2.630 -5.170 3.009
38 HA GLU 8 HA GLU 8 -4.713 -6.643 1.562
39 HB2 GLU 8 2HB GLU 8 -6.206 -4.710 1.513
40 HB3 GLU 8 3HB GLU 8 -5.889 -5.207 3.165
41 HG2 GLU 8 2HG GLU 8 -4.564 -3.328 3.597
42 HG3 GLU 8 3HG GLU 8 -4.357 -2.972 1.883
43 H SER 9 H SER 9 -5.442 -5.198 -0.427
44 HA SER 9 HA SER 9 -3.014 -4.714 -1.960
45 HB2 SER 9 2HB SER 9 -4.598 -4.644 -3.910
46 HB3 SER 9 3HB SER 9 -4.624 -6.161 -3.013
47 HG SER 9 HG SER 9 -6.408 -4.532 -1.917
48 H CYS 10 H CYS 10 -2.516 -2.827 -3.003
49 HA CYS 10 HA CYS 10 -4.178 -0.460 -2.483
50 HB2 CYS 10 2HB CYS 10 -1.956 0.784 -2.105
51 HB3 CYS 10 3HB CYS 10 -2.541 -0.242 -0.801
52 H ASN 11 H ASN 11 -4.447 0.822 -4.203
53 HA ASN 11 HA ASN 11 -2.920 0.229 -6.636
54 HB2 ASN 11 2HB ASN 11 -5.664 1.244 -6.103
55 HB3 ASN 11 3HB ASN 11 -4.857 1.838 -7.551
56 HD21 ASN 11 1HD2 ASN 11 -4.184 0.323 -9.130
57 HD22 ASN 11 2HD2 ASN 11 -4.971 -1.209 -9.271
58 H VAL 12 H VAL 12 -1.335 1.519 -7.205
59 HA VAL 12 HA VAL 12 -0.803 3.995 -5.879
60 HB VAL 12 HB VAL 12 1.145 4.193 -7.415
61 HG11 VAL 12 1HG1 VAL 12 2.364 2.265 -6.552
62 HG12 VAL 12 2HG1 VAL 12 0.841 1.490 -6.116
63 HG13 VAL 12 3HG1 VAL 12 1.334 2.979 -5.310
64 HG21 VAL 12 3HG2 VAL 12 1.713 2.348 -8.926
65 HG22 VAL 12 1HG2 VAL 12 0.215 3.139 -9.417
66 HG23 VAL 12 2HG2 VAL 12 0.160 1.585 -8.584
67 H GLN 13 H GLN 13 -3.173 3.602 -7.932
68 HA GLN 13 HA GLN 13 -2.651 5.937 -9.628
69 HB2 GLN 13 2HB GLN 13 -3.646 3.547 -10.326
70 HB3 GLN 13 3HB GLN 13 -5.148 4.338 -9.884
71 HG2 GLN 13 2HG GLN 13 -3.215 5.544 -11.841
72 HG3 GLN 13 3HG GLN 13 -4.469 4.406 -12.325
73 HE21 GLN 13 1HE2 GLN 13 -3.766 7.618 -11.268
74 HE22 GLN 13 2HE2 GLN 13 -5.344 8.275 -11.516
75 H PHE 14 H PHE 14 -4.793 4.727 -7.101
76 HA PHE 14 HA PHE 14 -5.761 7.437 -6.608
77 HB2 PHE 14 2HB PHE 14 -8.145 6.298 -6.331
78 HB3 PHE 14 3HB PHE 14 -7.597 6.907 -7.889
79 HD1 PHE 14 HD2 PHE 14 -8.179 3.881 -5.888
80 HD2 PHE 14 HD1 PHE 14 -7.110 5.442 -9.696
81 HE1 PHE 14 HE2 PHE 14 -8.450 1.644 -6.874
82 HE2 PHE 14 HE1 PHE 14 -7.374 3.208 -10.691
83 HZ PHE 14 HZ PHE 14 -8.033 1.309 -9.276
84 H TYR 15 H TYR 15 -5.253 4.153 -5.479
85 HA TYR 15 HA TYR 15 -5.862 5.081 -2.745
86 HB2 TYR 15 2HB TYR 15 -7.399 3.281 -3.870
87 HB3 TYR 15 3HB TYR 15 -6.085 2.182 -3.474
88 HD1 TYR 15 HD1 TYR 15 -8.639 4.442 -2.063
89 HD2 TYR 15 HD2 TYR 15 -5.718 1.465 -1.222
90 HE1 TYR 15 HE1 TYR 15 -9.539 4.212 0.213
91 HE2 TYR 15 HE2 TYR 15 -6.612 1.227 1.057
92 HH TYR 15 HH TYR 15 -7.905 2.550 2.676
93 HA PRO 16 HA PRO 16 -1.422 3.783 -2.693
94 HB2 PRO 16 2HB PRO 16 -0.487 5.828 -1.173
95 HB3 PRO 16 3HB PRO 16 -0.746 5.988 -2.919
96 HG2 PRO 16 2HG PRO 16 -2.411 6.977 -0.668
97 HG3 PRO 16 3HG PRO 16 -2.064 7.729 -2.237
98 HD2 PRO 16 2HD PRO 16 -4.396 6.384 -1.627
99 HD3 PRO 16 3HD PRO 16 -3.785 6.657 -3.267
100 H CYS 17 H CYS 17 0.102 3.594 -0.662
101 HA CYS 17 HA CYS 17 -1.420 2.226 1.409
102 HB2 CYS 17 2HB CYS 17 0.697 1.325 0.228
103 HB3 CYS 17 3HB CYS 17 1.582 2.414 1.291
104 H CYS 18 H CYS 18 -0.863 2.528 3.713
105 HA CYS 18 HA CYS 18 -0.855 5.328 4.391
106 HB2 CYS 18 2HB CYS 18 -0.999 2.866 6.140
107 HB3 CYS 18 3HB CYS 18 -1.189 4.518 6.716
108 HA PRO 19 HA PRO 19 3.631 5.154 5.140
109 HB2 PRO 19 2HB PRO 19 4.138 7.784 4.834
110 HB3 PRO 19 3HB PRO 19 3.821 6.729 3.445
111 HG2 PRO 19 2HG PRO 19 2.040 8.706 4.754
112 HG3 PRO 19 3HG PRO 19 2.185 8.273 3.040
113 HD2 PRO 19 2HD PRO 19 0.214 7.345 4.777
114 HD3 PRO 19 3HD PRO 19 0.646 6.616 3.220
115 H GLY 20 H GLY 20 5.123 6.534 6.625
116 HA2 GLY 20 2HA GLY 20 5.377 7.844 8.607
117 HA3 GLY 20 3HA GLY 20 3.702 7.507 9.008
118 H LEU 21 H LEU 21 3.754 4.699 8.627
119 HA LEU 21 HA LEU 21 5.097 3.908 11.087
120 HB2 LEU 21 2HB LEU 21 3.135 2.460 9.307
121 HB3 LEU 21 3HB LEU 21 3.822 1.774 10.765
122 HG LEU 21 HG LEU 21 2.384 4.382 10.979
123 HD11 LEU 21 1HD1 LEU 21 1.020 1.702 10.755
124 HD12 LEU 21 2HD1 LEU 21 0.889 3.037 9.610
125 HD13 LEU 21 3HD1 LEU 21 0.251 3.211 11.245
126 HD21 LEU 21 3HD2 LEU 21 2.585 1.953 12.761
127 HD22 LEU 21 1HD2 LEU 21 1.768 3.464 13.162
128 HD23 LEU 21 2HD2 LEU 21 3.516 3.441 12.929
129 H GLY 22 H GLY 22 5.159 3.135 7.640
130 HA2 GLY 22 2HA GLY 22 7.437 2.618 6.772
131 HA3 GLY 22 3HA GLY 22 7.568 1.483 8.107
132 H LEU 23 H LEU 23 5.026 2.162 5.705
133 HA LEU 23 HA LEU 23 5.027 -0.703 5.012
134 HB2 LEU 23 2HB LEU 23 2.740 1.270 4.904
135 HB3 LEU 23 3HB LEU 23 2.654 -0.393 4.365
136 HG LEU 23 HG LEU 23 3.357 0.263 7.215
137 HD11 LEU 23 1HD1 LEU 23 0.584 -0.065 6.076
138 HD12 LEU 23 2HD1 LEU 23 1.269 1.428 6.718
139 HD13 LEU 23 3HD1 LEU 23 0.996 0.052 7.787
140 HD21 LEU 23 3HD2 LEU 23 3.691 -2.044 6.331
141 HD22 LEU 23 1HD2 LEU 23 1.961 -2.118 6.000
142 HD23 LEU 23 2HD2 LEU 23 2.536 -1.948 7.659
143 H THR 24 H THR 24 4.712 -1.298 2.840
144 HA THR 24 HA THR 24 4.931 0.812 0.826
145 HB THR 24 HB THR 24 7.247 0.177 1.263
146 HG1 THR 24 HG1 THR 24 6.172 -0.717 -1.211
147 HG21 THR 24 3HG2 THR 24 8.089 -2.086 0.758
148 HG22 THR 24 1HG2 THR 24 6.432 -2.641 0.520
149 HG23 THR 24 2HG2 THR 24 6.959 -2.095 2.111
150 H CYS 25 H CYS 25 4.351 0.175 -1.313
151 HA CYS 25 HA CYS 25 2.447 -2.044 -1.372
152 HB2 CYS 25 2HB CYS 25 2.844 0.402 -3.090
153 HB3 CYS 25 3HB CYS 25 1.803 -0.921 -3.591
154 H ILE 26 H ILE 26 2.971 -3.904 -2.318
155 HA ILE 26 HA ILE 26 5.008 -3.899 -4.443
156 HB ILE 26 HB ILE 26 4.747 -6.029 -2.297
157 HG12 ILE 26 2HG1 ILE 26 7.228 -4.409 -2.621
158 HG13 ILE 26 3HG1 ILE 26 5.848 -3.615 -1.873
159 HG21 ILE 26 1HG2 ILE 26 5.492 -6.946 -4.444
160 HG22 ILE 26 2HG2 ILE 26 6.791 -6.983 -3.252
161 HG23 ILE 26 3HG2 ILE 26 6.786 -5.749 -4.513
162 HD11 ILE 26 3HD1 ILE 26 7.422 -4.612 -0.254
163 HD12 ILE 26 1HD1 ILE 26 7.049 -6.203 -0.916
164 HD13 ILE 26 2HD1 ILE 26 5.787 -5.260 -0.126
165 HA PRO 27 HA PRO 27 5.531 -4.687 -6.306
166 HB2 PRO 27 2HB PRO 27 4.200 -4.435 -8.855
167 HB3 PRO 27 3HB PRO 27 5.492 -5.557 -8.399
168 HG2 PRO 27 2HG PRO 27 2.933 -6.310 -8.993
169 HG3 PRO 27 3HG PRO 27 4.056 -7.253 -7.994
170 HD2 PRO 27 2HD PRO 27 1.791 -5.508 -7.161
171 HD3 PRO 27 3HD PRO 27 2.363 -7.032 -6.453
172 H GLY 28 H GLY 28 2.268 -3.498 -7.098
173 HA2 GLY 28 2HA GLY 28 1.446 -1.336 -6.726
174 HA3 GLY 28 3HA GLY 28 3.089 -0.774 -6.471
175 H ASN 29 H ASN 29 2.024 -2.646 -9.272
176 HA ASN 29 HA ASN 29 1.967 -0.255 -10.934
177 HB2 ASN 29 2HB ASN 29 3.505 -1.389 -12.631
178 HB3 ASN 29 3HB ASN 29 4.253 -0.707 -11.196
179 HD21 ASN 29 1HD2 ASN 29 3.502 -3.594 -12.944
180 HD22 ASN 29 2HD2 ASN 29 4.458 -4.673 -11.992
181 HA PRO 30 HA PRO 30 0.106 0.301 -10.789
182 HB2 PRO 30 2HB PRO 30 -2.590 0.412 -10.903
183 HB3 PRO 30 3HB PRO 30 -1.569 0.756 -12.310
184 HG2 PRO 30 2HG PRO 30 -3.256 -1.590 -11.753
185 HG3 PRO 30 3HG PRO 30 -2.721 -0.921 -13.303
186 HD2 PRO 30 2HD PRO 30 -1.625 -3.154 -11.911
187 HD3 PRO 30 3HD PRO 30 -1.030 -2.414 -13.408
188 H ASP 31 H ASP 31 -1.440 -2.736 -9.968
189 HA ASP 31 HA ASP 31 -2.249 -1.837 -7.323
190 HB2 ASP 31 2HB ASP 31 -3.486 -3.510 -8.952
191 HB3 ASP 31 3HB ASP 31 -2.421 -4.690 -8.197
192 H GLY 32 H GLY 32 -1.600 -2.894 -5.394
193 HA2 GLY 32 2HA GLY 32 0.736 -4.613 -5.411
194 HA3 GLY 32 3HA GLY 32 1.007 -3.005 -4.759
195 H THR 33 H THR 33 1.585 -4.607 -2.941
196 HA THR 33 HA THR 33 -0.789 -4.903 -1.214
197 HB THR 33 HB THR 33 1.562 -6.700 -0.785
198 HG1 THR 33 HG1 THR 33 0.165 -6.661 -3.088
199 HG21 THR 33 3HG2 THR 33 -0.188 -8.256 -0.036
200 HG22 THR 33 1HG2 THR 33 -1.423 -7.083 -0.493
201 HG23 THR 33 2HG2 THR 33 -0.294 -6.712 0.811
202 H CYS 34 H CYS 34 -0.554 -4.290 0.926
203 HA CYS 34 HA CYS 34 1.713 -2.547 1.463
204 HB2 CYS 34 2HB CYS 34 -0.943 -2.974 2.801
205 HB3 CYS 34 3HB CYS 34 0.337 -2.066 3.598
206 H TYR 35 H TYR 35 3.470 -3.338 2.300
207 HA TYR 35 HA TYR 35 3.297 -5.323 4.472
208 HB2 TYR 35 2HB TYR 35 5.131 -5.244 2.093
209 HB3 TYR 35 3HB TYR 35 5.654 -6.015 3.583
210 HD1 TYR 35 HD1 TYR 35 4.083 -7.861 4.540
211 HD2 TYR 35 HD2 TYR 35 3.920 -6.469 0.518
212 HE1 TYR 35 HE1 TYR 35 2.948 -9.936 3.872
213 HE2 TYR 35 HE2 TYR 35 2.781 -8.541 -0.154
214 HH TYR 35 HH TYR 35 1.468 -10.729 2.078
215 H TYR 36 H TYR 36 5.139 -5.281 5.974
216 HA TYR 36 HA TYR 36 5.978 -2.534 6.505
217 HB2 TYR 36 2HB TYR 36 4.907 -4.181 8.220
218 HB3 TYR 36 3HB TYR 36 6.524 -4.868 8.319
219 HD1 TYR 36 HD1 TYR 36 4.462 -1.912 9.034
220 HD2 TYR 36 HD2 TYR 36 8.320 -3.668 9.401
221 HE1 TYR 36 HE1 TYR 36 5.085 -0.188 10.673
222 HE2 TYR 36 HE2 TYR 36 8.953 -1.949 11.041
223 HH TYR 36 HH TYR 36 8.286 0.331 11.669
224 H LEU 37 H LEU 37 8.029 -1.825 6.421
225 HA LEU 37 HA LEU 37 10.071 -3.675 5.422
226 HB2 LEU 37 2HB LEU 37 9.837 -0.671 5.366
227 HB3 LEU 37 3HB LEU 37 11.326 -1.497 4.955
228 HG LEU 37 HG LEU 37 8.804 -2.223 3.516
229 HD11 LEU 37 1HD1 LEU 37 8.787 0.158 3.342
230 HD12 LEU 37 2HD1 LEU 37 9.406 -0.487 1.821
231 HD13 LEU 37 3HD1 LEU 37 10.517 0.200 3.004
232 HD21 LEU 37 3HD2 LEU 37 10.373 -2.679 1.694
233 HD22 LEU 37 1HD2 LEU 37 10.812 -3.569 3.152
234 HD23 LEU 37 2HD2 LEU 37 11.710 -2.120 2.700