NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
567926 |
2lzy   |
18784 | 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 H1 PCA 1 4.934 -13.677 6.638
2 HA PCA 1 HA PCA 1 6.060 -12.964 4.335
3 HB2 PCA 1 3HB PCA 1 4.095 -13.011 2.997
4 HB3 PCA 1 2HB PCA 1 3.881 -11.319 3.591
5 HG2 PCA 1 3HG PCA 1 2.071 -12.788 4.359
6 HG3 PCA 1 2HG PCA 1 2.753 -14.053 3.317
7 H ASP 2 H ASP 2 6.519 -10.619 4.022
8 HA ASP 2 HA ASP 2 6.215 -9.112 6.523
9 HB2 ASP 2 2HB ASP 2 8.407 -9.065 4.441
10 HB3 ASP 2 3HB ASP 2 8.259 -7.844 5.701
11 H CYS 3 H CYS 3 4.374 -8.033 6.165
12 HA CYS 3 HA CYS 3 3.816 -6.633 3.713
13 HB2 CYS 3 2HB CYS 3 2.371 -6.591 6.364
14 HB3 CYS 3 3HB CYS 3 1.770 -5.884 4.874
15 HA PRO 4 HA PRO 4 5.610 -2.673 4.695
16 HB2 PRO 4 2HB PRO 4 3.938 -1.026 3.298
17 HB3 PRO 4 3HB PRO 4 5.151 -2.057 2.515
18 HG2 PRO 4 2HG PRO 4 2.224 -2.513 2.852
19 HG3 PRO 4 3HG PRO 4 3.248 -2.786 1.429
20 HD2 PRO 4 2HD PRO 4 2.505 -4.804 3.054
21 HD3 PRO 4 3HD PRO 4 4.082 -4.775 2.239
22 H GLY 5 H GLY 5 5.187 -0.591 5.708
23 HA2 GLY 5 2HA GLY 5 2.931 -0.715 7.601
24 HA3 GLY 5 3HA GLY 5 4.434 0.158 7.867
25 H GLU 6 H GLU 6 2.978 1.954 8.428
26 HA GLU 6 HA GLU 6 1.408 3.185 6.350
27 HB2 GLU 6 2HB GLU 6 0.936 3.267 8.856
28 HB3 GLU 6 3HB GLU 6 2.236 4.443 8.967
29 HG2 GLU 6 2HG GLU 6 1.014 5.922 7.436
30 HG3 GLU 6 3HG GLU 6 -0.297 4.746 7.360
31 H GLY 7 H GLY 7 2.121 4.471 4.808
32 HA2 GLY 7 2HA GLY 7 3.264 6.342 3.934
33 HA3 GLY 7 3HA GLY 7 4.373 6.278 5.294
34 H GLU 8 H GLU 8 3.539 3.504 3.313
35 HA GLU 8 HA GLU 8 6.213 3.569 2.080
36 HB2 GLU 8 2HB GLU 8 5.687 1.881 4.075
37 HB3 GLU 8 3HB GLU 8 4.977 0.943 2.771
38 HG2 GLU 8 2HG GLU 8 7.107 0.978 1.578
39 HG3 GLU 8 3HG GLU 8 7.820 1.927 2.881
40 H GLN 9 H GLN 9 6.353 2.105 0.138
41 HA GLN 9 HA GLN 9 4.114 2.629 -1.604
42 HB2 GLN 9 2HB GLN 9 6.606 2.826 -2.192
43 HB3 GLN 9 3HB GLN 9 6.591 1.074 -2.328
44 HG2 GLN 9 2HG GLN 9 4.837 1.251 -4.051
45 HG3 GLN 9 3HG GLN 9 4.944 3.009 -3.947
46 HE21 GLN 9 1HE2 GLN 9 6.526 0.092 -4.980
47 HE22 GLN 9 2HE2 GLN 9 7.725 0.849 -5.966
48 H CYS 10 H CYS 10 2.577 1.283 -2.223
49 HA CYS 10 HA CYS 10 2.875 -1.595 -1.672
50 HB2 CYS 10 2HB CYS 10 0.334 -1.559 -1.380
51 HB3 CYS 10 3HB CYS 10 1.286 -0.843 -0.084
52 H ASP 11 H ASP 11 2.735 -2.848 -3.411
53 HA ASP 11 HA ASP 11 1.634 -1.684 -5.870
54 HB2 ASP 11 2HB ASP 11 2.892 -3.517 -7.050
55 HB3 ASP 11 3HB ASP 11 3.899 -2.354 -6.204
56 H VAL 12 H VAL 12 0.411 -3.021 -7.327
57 HA VAL 12 HA VAL 12 -1.568 -4.594 -5.906
58 HB VAL 12 HB VAL 12 -2.732 -4.650 -8.175
59 HG11 VAL 12 1HG1 VAL 12 -2.152 -1.983 -6.901
60 HG12 VAL 12 2HG1 VAL 12 -3.409 -3.127 -6.428
61 HG13 VAL 12 3HG1 VAL 12 -3.494 -2.320 -7.994
62 HG21 VAL 12 3HG2 VAL 12 -0.814 -4.212 -9.623
63 HG22 VAL 12 1HG2 VAL 12 -0.603 -2.624 -8.884
64 HG23 VAL 12 2HG2 VAL 12 -2.049 -2.970 -9.832
65 H GLU 13 H GLU 13 1.268 -5.582 -6.658
66 HA GLU 13 HA GLU 13 0.537 -7.964 -8.201
67 HB2 GLU 13 2HB GLU 13 3.199 -6.715 -7.545
68 HB3 GLU 13 3HB GLU 13 3.069 -8.338 -8.207
69 HG2 GLU 13 2HG GLU 13 1.932 -7.445 -10.177
70 HG3 GLU 13 3HG GLU 13 2.060 -5.817 -9.511
71 H PHE 14 H PHE 14 2.673 -7.321 -5.369
72 HA PHE 14 HA PHE 14 1.420 -9.517 -3.930
73 HB2 PHE 14 2HB PHE 14 3.449 -10.281 -5.469
74 HB3 PHE 14 3HB PHE 14 4.397 -9.688 -4.110
75 HD1 PHE 14 HD2 PHE 14 1.961 -12.188 -5.215
76 HD2 PHE 14 HD1 PHE 14 4.407 -10.835 -2.008
77 HE1 PHE 14 HE2 PHE 14 1.587 -14.320 -4.033
78 HE2 PHE 14 HE1 PHE 14 4.041 -12.959 -0.821
79 HZ PHE 14 HZ PHE 14 2.628 -14.704 -1.831
80 H ASN 15 H ASN 15 2.567 -6.459 -3.828
81 HA ASN 15 HA ASN 15 3.298 -6.688 -0.984
82 HB2 ASN 15 2HB ASN 15 5.114 -5.962 -2.704
83 HB3 ASN 15 3HB ASN 15 4.277 -4.414 -2.685
84 HD21 ASN 15 1HD2 ASN 15 4.295 -3.170 -0.810
85 HD22 ASN 15 2HD2 ASN 15 5.423 -3.454 0.467
86 HA PRO 16 HA PRO 16 -0.303 -3.761 -1.098
87 HB2 PRO 16 2HB PRO 16 -2.118 -5.511 0.125
88 HB3 PRO 16 3HB PRO 16 -2.001 -5.206 -1.615
89 HG2 PRO 16 2HG PRO 16 -1.450 -7.630 -0.287
90 HG3 PRO 16 3HG PRO 16 -1.135 -7.244 -1.988
91 HD2 PRO 16 2HD PRO 16 0.734 -7.225 0.325
92 HD3 PRO 16 3HD PRO 16 1.053 -7.569 -1.389
93 H CYS 17 H CYS 17 -1.632 -2.936 0.819
94 HA CYS 17 HA CYS 17 0.025 -2.970 3.205
95 HB2 CYS 17 2HB CYS 17 -2.566 -1.449 2.865
96 HB3 CYS 17 3HB CYS 17 -1.249 -1.108 3.978
97 H CYS 18 H CYS 18 -0.222 -4.685 4.501
98 HA CYS 18 HA CYS 18 -2.732 -6.058 4.796
99 HB2 CYS 18 2HB CYS 18 -0.153 -6.496 6.306
100 HB3 CYS 18 3HB CYS 18 -1.540 -7.575 6.285
101 HA PRO 19 HA PRO 19 -2.495 -4.143 9.292
102 HB2 PRO 19 2HB PRO 19 -1.052 -1.602 8.900
103 HB3 PRO 19 3HB PRO 19 -0.792 -2.851 10.126
104 HG2 PRO 19 2HG PRO 19 0.978 -2.427 8.183
105 HG3 PRO 19 3HG PRO 19 0.640 -4.058 8.804
106 HD2 PRO 19 2HD PRO 19 -0.385 -2.744 6.314
107 HD3 PRO 19 3HD PRO 19 0.262 -4.382 6.535
108 HA PRO 20 HA PRO 20 -5.890 -1.289 8.580
109 HB2 PRO 20 2HB PRO 20 -5.057 0.678 10.634
110 HB3 PRO 20 3HB PRO 20 -6.521 -0.319 10.555
111 HG2 PRO 20 2HG PRO 20 -4.626 -0.845 12.324
112 HG3 PRO 20 3HG PRO 20 -5.493 -2.154 11.493
113 HD2 PRO 20 2HD PRO 20 -2.768 -1.048 10.922
114 HD3 PRO 20 3HD PRO 20 -3.298 -2.741 11.009
115 H LEU 21 H LEU 21 -4.036 -0.771 6.691
116 HA LEU 21 HA LEU 21 -4.307 2.126 6.267
117 HB2 LEU 21 2HB LEU 21 -1.844 0.487 5.641
118 HB3 LEU 21 3HB LEU 21 -2.113 2.121 5.085
119 HG LEU 21 HG LEU 21 -0.634 2.375 6.855
120 HD11 LEU 21 1HD1 LEU 21 -3.294 2.748 8.207
121 HD12 LEU 21 2HD1 LEU 21 -2.539 3.898 7.104
122 HD13 LEU 21 3HD1 LEU 21 -1.766 3.513 8.642
123 HD21 LEU 21 3HD2 LEU 21 -0.551 0.207 7.746
124 HD22 LEU 21 1HD2 LEU 21 -2.217 0.294 8.320
125 HD23 LEU 21 2HD2 LEU 21 -0.968 1.280 9.082
126 H THR 22 H THR 22 -4.335 2.757 4.036
127 HA THR 22 HA THR 22 -5.300 0.615 2.265
128 HB THR 22 HB THR 22 -7.103 2.127 2.768
129 HG1 THR 22 HG1 THR 22 -7.382 1.604 0.702
130 HG21 THR 22 3HG2 THR 22 -7.058 4.508 2.260
131 HG22 THR 22 1HG2 THR 22 -5.370 4.379 1.764
132 HG23 THR 22 2HG2 THR 22 -5.819 4.098 3.445
133 H CYS 23 H CYS 23 -4.918 0.935 -0.060
134 HA CYS 23 HA CYS 23 -2.234 2.019 -0.501
135 HB2 CYS 23 2HB CYS 23 -2.948 -0.405 -1.063
136 HB3 CYS 23 3HB CYS 23 -3.752 0.314 -2.453
137 H ILE 24 H ILE 24 -2.302 4.095 -1.068
138 HA ILE 24 HA ILE 24 -3.997 4.867 -3.337
139 HB ILE 24 HB ILE 24 -3.377 6.763 -1.061
140 HG12 ILE 24 2HG1 ILE 24 -6.030 5.398 -1.536
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.810 -0.388
142 HG21 ILE 24 1HG2 ILE 24 -5.386 6.957 -3.314
143 HG22 ILE 24 2HG2 ILE 24 -3.831 7.789 -3.255
144 HG23 ILE 24 3HG2 ILE 24 -5.083 8.177 -2.075
145 HD11 ILE 24 3HD1 ILE 24 -5.013 6.949 0.827
146 HD12 ILE 24 1HD1 ILE 24 -6.547 6.086 0.750
147 HD13 ILE 24 2HD1 ILE 24 -6.258 7.467 -0.304
148 HA PRO 25 HA PRO 25 -4.075 6.188 -5.073
149 HB2 PRO 25 2HB PRO 25 -3.049 5.789 -7.580
150 HB3 PRO 25 3HB PRO 25 -3.142 7.384 -6.809
151 HG2 PRO 25 2HG PRO 25 -0.814 5.531 -7.025
152 HG3 PRO 25 3HG PRO 25 -0.877 7.290 -7.246
153 HD2 PRO 25 2HD PRO 25 0.024 6.183 -4.965
154 HD3 PRO 25 3HD PRO 25 -0.863 7.715 -4.975
155 H GLY 26 H GLY 26 -1.486 3.888 -6.076
156 HA2 GLY 26 2HA GLY 26 -1.531 1.558 -5.986
157 HA3 GLY 26 3HA GLY 26 -3.200 1.630 -5.448
158 H ASP 27 H ASP 27 -1.953 3.206 -8.347
159 HA ASP 27 HA ASP 27 -3.201 1.165 -10.039
160 HB2 ASP 27 2HB ASP 27 -3.929 4.095 -10.075
161 HB3 ASP 27 3HB ASP 27 -4.282 3.004 -11.411
162 HA PRO 28 HA PRO 28 -1.774 -0.256 -10.375
163 HB2 PRO 28 2HB PRO 28 0.949 -1.070 -10.761
164 HB3 PRO 28 3HB PRO 28 -0.466 -1.526 -11.722
165 HG2 PRO 28 2HG PRO 28 1.617 -0.001 -12.652
166 HG3 PRO 28 3HG PRO 28 -0.017 -0.010 -13.337
167 HD2 PRO 28 2HD PRO 28 1.236 1.965 -11.480
168 HD3 PRO 28 3HD PRO 28 0.132 2.238 -12.844
169 H TYR 29 H TYR 29 1.092 1.659 -9.583
170 HA TYR 29 HA TYR 29 1.469 0.323 -7.026
171 HB2 TYR 29 2HB TYR 29 2.968 2.611 -8.317
172 HB3 TYR 29 3HB TYR 29 3.410 1.860 -6.791
173 HD1 TYR 29 HD2 TYR 29 3.170 1.315 -10.437
174 HD2 TYR 29 HD1 TYR 29 4.594 -0.210 -6.730
175 HE1 TYR 29 HE2 TYR 29 4.520 -0.344 -11.647
176 HE2 TYR 29 HE1 TYR 29 5.951 -1.873 -7.929
177 HH TYR 29 HH TYR 29 5.978 -2.997 -10.116
178 H GLY 30 H GLY 30 1.496 1.439 -5.015
179 HA2 GLY 30 2HA GLY 30 0.239 4.059 -4.897
180 HA3 GLY 30 3HA GLY 30 -0.664 2.738 -4.188
181 H ILE 31 H ILE 31 -0.446 4.169 -2.271
182 HA ILE 31 HA ILE 31 1.978 3.457 -0.749
183 HB ILE 31 HB ILE 31 0.608 6.123 -0.401
184 HG12 ILE 31 2HG1 ILE 31 1.486 6.140 -2.691
185 HG13 ILE 31 3HG1 ILE 31 2.390 7.242 -1.669
186 HG21 ILE 31 1HG2 ILE 31 2.691 6.788 0.728
187 HG22 ILE 31 2HG2 ILE 31 3.316 5.156 0.494
188 HG23 ILE 31 3HG2 ILE 31 1.897 5.419 1.507
189 HD11 ILE 31 3HD1 ILE 31 3.290 4.537 -2.652
190 HD12 ILE 31 1HD1 ILE 31 4.196 5.544 -1.522
191 HD13 ILE 31 2HD1 ILE 31 3.892 6.113 -3.163
192 H CYS 32 H CYS 32 1.619 3.308 1.561
193 HA CYS 32 HA CYS 32 -1.074 2.425 2.217
194 HB2 CYS 32 2HB CYS 32 1.506 2.311 3.793
195 HB3 CYS 32 3HB CYS 32 -0.022 1.642 4.343
196 H TYR 33 H TYR 33 -2.394 4.154 2.525
197 HA TYR 33 HA TYR 33 -1.523 6.249 4.404
198 HB2 TYR 33 2HB TYR 33 -3.420 6.177 2.105
199 HB3 TYR 33 3HB TYR 33 -3.738 7.317 3.406
200 HD1 TYR 33 HD1 TYR 33 -1.948 9.019 3.980
201 HD2 TYR 33 HD2 TYR 33 -1.788 6.642 0.449
202 HE1 TYR 33 HE1 TYR 33 -0.363 10.611 2.982
203 HE2 TYR 33 HE2 TYR 33 -0.206 8.229 -0.552
204 HH TYR 33 HH TYR 33 1.371 10.637 1.241
205 H ILE 34 H ILE 34 -3.032 7.033 5.990
206 HA ILE 34 HA ILE 34 -4.658 4.885 7.106
207 HB ILE 34 HB ILE 34 -2.963 6.039 8.531
208 HG12 ILE 34 2HG1 ILE 34 -5.605 6.614 9.802
209 HG13 ILE 34 3HG1 ILE 34 -5.267 4.967 9.295
210 HG21 ILE 34 1HG2 ILE 34 -3.166 8.315 7.721
211 HG22 ILE 34 2HG2 ILE 34 -3.450 8.263 9.461
212 HG23 ILE 34 3HG2 ILE 34 -4.811 8.420 8.350
213 HD11 ILE 34 3HD1 ILE 34 -3.612 6.594 11.214
214 HD12 ILE 34 1HD1 ILE 34 -3.272 4.941 10.703
215 HD13 ILE 34 2HD1 ILE 34 -4.726 5.293 11.637
216 H ILE 35 H ILE 35 -6.816 4.897 7.245
217 HA ILE 35 HA ILE 35 -8.271 7.340 6.500
218 HB ILE 35 HB ILE 35 -9.994 5.806 5.381
219 HG12 ILE 35 2HG1 ILE 35 -8.425 3.867 4.244
220 HG13 ILE 35 3HG1 ILE 35 -7.828 3.867 5.900
221 HG21 ILE 35 1HG2 ILE 35 -8.808 5.896 3.239
222 HG22 ILE 35 2HG2 ILE 35 -7.303 6.229 4.097
223 HG23 ILE 35 3HG2 ILE 35 -8.631 7.387 4.164
224 HD11 ILE 35 3HD1 ILE 35 -10.095 3.492 6.716
225 HD12 ILE 35 1HD1 ILE 35 -9.588 2.228 5.596
226 HD13 ILE 35 2HD1 ILE 35 -10.692 3.494 5.056
Start of MODEL 2
1 H1 PCA 1 H1 PCA 1 4.920 -13.672 6.635
2 HA PCA 1 HA PCA 1 6.053 -12.965 4.334
3 HB2 PCA 1 3HB PCA 1 4.091 -13.009 2.992
4 HB3 PCA 1 2HB PCA 1 3.880 -11.315 3.582
5 HG2 PCA 1 3HG PCA 1 2.065 -12.779 4.348
6 HG3 PCA 1 2HG PCA 1 2.746 -14.047 3.310
7 H ASP 2 H ASP 2 6.516 -10.620 4.017
8 HA ASP 2 HA ASP 2 6.215 -9.111 6.518
9 HB2 ASP 2 2HB ASP 2 8.404 -9.068 4.433
10 HB3 ASP 2 3HB ASP 2 8.259 -7.846 5.692
11 H CYS 3 H CYS 3 4.373 -8.031 6.162
12 HA CYS 3 HA CYS 3 3.815 -6.631 3.710
13 HB2 CYS 3 2HB CYS 3 2.370 -6.589 6.361
14 HB3 CYS 3 3HB CYS 3 1.769 -5.883 4.871
15 HA PRO 4 HA PRO 4 5.608 -2.671 4.693
16 HB2 PRO 4 2HB PRO 4 3.938 -1.024 3.296
17 HB3 PRO 4 3HB PRO 4 5.150 -2.054 2.513
18 HG2 PRO 4 2HG PRO 4 2.223 -2.510 2.850
19 HG3 PRO 4 3HG PRO 4 3.246 -2.783 1.427
20 HD2 PRO 4 2HD PRO 4 2.504 -4.801 3.051
21 HD3 PRO 4 3HD PRO 4 4.080 -4.772 2.236
22 H GLY 5 H GLY 5 5.188 -0.591 5.707
23 HA2 GLY 5 2HA GLY 5 2.931 -0.714 7.601
24 HA3 GLY 5 3HA GLY 5 4.434 0.158 7.866
25 H GLU 6 H GLU 6 2.977 1.953 8.428
26 HA GLU 6 HA GLU 6 1.407 3.185 6.351
27 HB2 GLU 6 2HB GLU 6 0.935 3.266 8.857
28 HB3 GLU 6 3HB GLU 6 2.235 4.441 8.969
29 HG2 GLU 6 2HG GLU 6 1.014 5.922 7.438
30 HG3 GLU 6 3HG GLU 6 -0.297 4.746 7.361
31 H GLY 7 H GLY 7 2.121 4.471 4.809
32 HA2 GLY 7 2HA GLY 7 3.264 6.342 3.935
33 HA3 GLY 7 3HA GLY 7 4.372 6.279 5.296
34 H GLU 8 H GLU 8 3.539 3.506 3.313
35 HA GLU 8 HA GLU 8 6.213 3.572 2.081
36 HB2 GLU 8 2HB GLU 8 5.687 1.883 4.076
37 HB3 GLU 8 3HB GLU 8 4.978 0.944 2.771
38 HG2 GLU 8 2HG GLU 8 7.109 0.981 1.579
39 HG3 GLU 8 3HG GLU 8 7.821 1.931 2.882
40 H GLN 9 H GLN 9 6.354 2.106 0.138
41 HA GLN 9 HA GLN 9 4.114 2.629 -1.603
42 HB2 GLN 9 2HB GLN 9 6.607 2.827 -2.191
43 HB3 GLN 9 3HB GLN 9 6.593 1.075 -2.327
44 HG2 GLN 9 2HG GLN 9 4.838 1.250 -4.050
45 HG3 GLN 9 3HG GLN 9 4.945 3.008 -3.947
46 HE21 GLN 9 1HE2 GLN 9 6.527 0.092 -4.978
47 HE22 GLN 9 2HE2 GLN 9 7.728 0.848 -5.964
48 H CYS 10 H CYS 10 2.578 1.284 -2.221
49 HA CYS 10 HA CYS 10 2.875 -1.594 -1.670
50 HB2 CYS 10 2HB CYS 10 0.334 -1.559 -1.378
51 HB3 CYS 10 3HB CYS 10 1.287 -0.843 -0.083
52 H ASP 11 H ASP 11 2.735 -2.848 -3.409
53 HA ASP 11 HA ASP 11 1.634 -1.685 -5.868
54 HB2 ASP 11 2HB ASP 11 2.892 -3.519 -7.047
55 HB3 ASP 11 3HB ASP 11 3.899 -2.355 -6.202
56 H VAL 12 H VAL 12 0.410 -3.022 -7.324
57 HA VAL 12 HA VAL 12 -1.568 -4.594 -5.903
58 HB VAL 12 HB VAL 12 -2.733 -4.651 -8.170
59 HG11 VAL 12 1HG1 VAL 12 -3.497 -2.321 -7.989
60 HG12 VAL 12 2HG1 VAL 12 -2.153 -1.983 -6.897
61 HG13 VAL 12 3HG1 VAL 12 -3.409 -3.127 -6.422
62 HG21 VAL 12 3HG2 VAL 12 -0.605 -2.624 -8.880
63 HG22 VAL 12 1HG2 VAL 12 -2.052 -2.970 -9.828
64 HG23 VAL 12 2HG2 VAL 12 -0.816 -4.211 -9.620
65 H GLU 13 H GLU 13 1.268 -5.581 -6.659
66 HA GLU 13 HA GLU 13 0.538 -7.963 -8.202
67 HB2 GLU 13 2HB GLU 13 3.199 -6.714 -7.545
68 HB3 GLU 13 3HB GLU 13 3.069 -8.337 -8.208
69 HG2 GLU 13 2HG GLU 13 1.932 -7.443 -10.177
70 HG3 GLU 13 3HG GLU 13 2.059 -5.816 -9.511
71 H PHE 14 H PHE 14 2.672 -7.320 -5.368
72 HA PHE 14 HA PHE 14 1.421 -9.518 -3.931
73 HB2 PHE 14 2HB PHE 14 3.450 -10.280 -5.471
74 HB3 PHE 14 3HB PHE 14 4.398 -9.687 -4.110
75 HD1 PHE 14 HD1 PHE 14 1.964 -12.189 -5.219
76 HD2 PHE 14 HD2 PHE 14 4.408 -10.836 -2.011
77 HE1 PHE 14 HE1 PHE 14 1.590 -14.321 -4.039
78 HE2 PHE 14 HE2 PHE 14 4.042 -12.961 -0.825
79 HZ PHE 14 HZ PHE 14 2.630 -14.706 -1.837
80 H ASN 15 H ASN 15 2.568 -6.460 -3.827
81 HA ASN 15 HA ASN 15 3.297 -6.690 -0.983
82 HB2 ASN 15 2HB ASN 15 5.115 -5.965 -2.701
83 HB3 ASN 15 3HB ASN 15 4.279 -4.416 -2.683
84 HD21 ASN 15 1HD2 ASN 15 4.295 -3.173 -0.808
85 HD22 ASN 15 2HD2 ASN 15 5.422 -3.457 0.471
86 HA PRO 16 HA PRO 16 -0.302 -3.762 -1.099
87 HB2 PRO 16 2HB PRO 16 -2.118 -5.511 0.124
88 HB3 PRO 16 3HB PRO 16 -2.001 -5.205 -1.615
89 HG2 PRO 16 2HG PRO 16 -1.452 -7.630 -0.289
90 HG3 PRO 16 3HG PRO 16 -1.136 -7.243 -1.989
91 HD2 PRO 16 2HD PRO 16 0.732 -7.226 0.325
92 HD3 PRO 16 3HD PRO 16 1.052 -7.570 -1.390
93 H CYS 17 H CYS 17 -1.631 -2.935 0.818
94 HA CYS 17 HA CYS 17 0.025 -2.970 3.205
95 HB2 CYS 17 2HB CYS 17 -2.566 -1.449 2.864
96 HB3 CYS 17 3HB CYS 17 -1.248 -1.108 3.978
97 H CYS 18 H CYS 18 -0.223 -4.685 4.501
98 HA CYS 18 HA CYS 18 -2.733 -6.058 4.795
99 HB2 CYS 18 2HB CYS 18 -0.154 -6.496 6.305
100 HB3 CYS 18 3HB CYS 18 -1.541 -7.575 6.284
101 HA PRO 19 HA PRO 19 -2.496 -4.143 9.291
102 HB2 PRO 19 2HB PRO 19 -1.053 -1.603 8.899
103 HB3 PRO 19 3HB PRO 19 -0.794 -2.851 10.125
104 HG2 PRO 19 2HG PRO 19 0.977 -2.428 8.183
105 HG3 PRO 19 3HG PRO 19 0.639 -4.058 8.803
106 HD2 PRO 19 2HD PRO 19 -0.387 -2.745 6.313
107 HD3 PRO 19 3HD PRO 19 0.261 -4.382 6.534
108 HA PRO 20 HA PRO 20 -5.890 -1.290 8.580
109 HB2 PRO 20 2HB PRO 20 -5.058 0.677 10.633
110 HB3 PRO 20 3HB PRO 20 -6.521 -0.320 10.555
111 HG2 PRO 20 2HG PRO 20 -4.626 -0.846 12.323
112 HG3 PRO 20 3HG PRO 20 -5.494 -2.155 11.492
113 HD2 PRO 20 2HD PRO 20 -2.768 -1.048 10.921
114 HD3 PRO 20 3HD PRO 20 -3.299 -2.742 11.008
115 H LEU 21 H LEU 21 -4.036 -0.771 6.690
116 HA LEU 21 HA LEU 21 -4.307 2.125 6.267
117 HB2 LEU 21 2HB LEU 21 -1.844 0.487 5.641
118 HB3 LEU 21 3HB LEU 21 -2.113 2.121 5.085
119 HG LEU 21 HG LEU 21 -0.634 2.375 6.856
120 HD11 LEU 21 1HD1 LEU 21 -2.540 3.898 7.104
121 HD12 LEU 21 2HD1 LEU 21 -1.768 3.513 8.642
122 HD13 LEU 21 3HD1 LEU 21 -3.295 2.747 8.209
123 HD21 LEU 21 3HD2 LEU 21 -0.969 1.279 9.083
124 HD22 LEU 21 1HD2 LEU 21 -0.551 0.207 7.746
125 HD23 LEU 21 2HD2 LEU 21 -2.218 0.294 8.319
126 H THR 22 H THR 22 -4.335 2.757 4.036
127 HA THR 22 HA THR 22 -5.300 0.616 2.265
128 HB THR 22 HB THR 22 -7.102 2.128 2.768
129 HG1 THR 22 HG1 THR 22 -6.543 3.128 0.255
130 HG21 THR 22 3HG2 THR 22 -5.819 4.099 3.445
131 HG22 THR 22 1HG2 THR 22 -7.058 4.509 2.259
132 HG23 THR 22 2HG2 THR 22 -5.370 4.380 1.764
133 H CYS 23 H CYS 23 -4.917 0.936 -0.060
134 HA CYS 23 HA CYS 23 -2.233 2.019 -0.500
135 HB2 CYS 23 2HB CYS 23 -2.947 -0.405 -1.063
136 HB3 CYS 23 3HB CYS 23 -3.751 0.315 -2.452
137 H ILE 24 H ILE 24 -2.302 4.096 -1.067
138 HA ILE 24 HA ILE 24 -3.997 4.867 -3.337
139 HB ILE 24 HB ILE 24 -3.376 6.763 -1.061
140 HG12 ILE 24 2HG1 ILE 24 -6.030 5.399 -1.536
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.811 -0.388
142 HG21 ILE 24 1HG2 ILE 24 -5.385 6.958 -3.313
143 HG22 ILE 24 2HG2 ILE 24 -3.831 7.790 -3.255
144 HG23 ILE 24 3HG2 ILE 24 -5.083 8.178 -2.075
145 HD11 ILE 24 3HD1 ILE 24 -5.012 6.950 0.827
146 HD12 ILE 24 1HD1 ILE 24 -6.546 6.087 0.751
147 HD13 ILE 24 2HD1 ILE 24 -6.258 7.468 -0.304
148 HA PRO 25 HA PRO 25 -4.075 6.189 -5.072
149 HB2 PRO 25 2HB PRO 25 -3.048 5.789 -7.580
150 HB3 PRO 25 3HB PRO 25 -3.141 7.384 -6.809
151 HG2 PRO 25 2HG PRO 25 -0.813 5.530 -7.025
152 HG3 PRO 25 3HG PRO 25 -0.877 7.290 -7.246
153 HD2 PRO 25 2HD PRO 25 0.025 6.182 -4.965
154 HD3 PRO 25 3HD PRO 25 -0.862 7.714 -4.975
155 H GLY 26 H GLY 26 -1.486 3.889 -6.075
156 HA2 GLY 26 2HA GLY 26 -1.530 1.559 -5.985
157 HA3 GLY 26 3HA GLY 26 -3.199 1.631 -5.447
158 H ASP 27 H ASP 27 -1.953 3.206 -8.347
159 HA ASP 27 HA ASP 27 -3.202 1.164 -10.037
160 HB2 ASP 27 2HB ASP 27 -3.928 4.095 -10.075
161 HB3 ASP 27 3HB ASP 27 -4.282 3.003 -11.410
162 HA PRO 28 HA PRO 28 -1.775 -0.257 -10.372
163 HB2 PRO 28 2HB PRO 28 0.946 -1.074 -10.757
164 HB3 PRO 28 3HB PRO 28 -0.470 -1.529 -11.718
165 HG2 PRO 28 2HG PRO 28 1.617 -0.005 -12.649
166 HG3 PRO 28 3HG PRO 28 -0.018 -0.014 -13.335
167 HD2 PRO 28 2HD PRO 28 1.236 1.961 -11.480
168 HD3 PRO 28 3HD PRO 28 0.132 2.234 -12.844
169 H TYR 29 H TYR 29 1.092 1.656 -9.583
170 HA TYR 29 HA TYR 29 1.470 0.322 -7.024
171 HB2 TYR 29 2HB TYR 29 2.968 2.610 -8.317
172 HB3 TYR 29 3HB TYR 29 3.410 1.860 -6.790
173 HD1 TYR 29 HD1 TYR 29 3.170 1.312 -10.436
174 HD2 TYR 29 HD2 TYR 29 4.594 -0.211 -6.729
175 HE1 TYR 29 HE1 TYR 29 4.519 -0.346 -11.646
176 HE2 TYR 29 HE2 TYR 29 5.951 -1.874 -7.928
177 HH TYR 29 HH TYR 29 5.978 -2.999 -10.114
178 H GLY 30 H GLY 30 1.496 1.438 -5.014
179 HA2 GLY 30 2HA GLY 30 0.240 4.058 -4.897
180 HA3 GLY 30 3HA GLY 30 -0.663 2.738 -4.187
181 H ILE 31 H ILE 31 -0.446 4.168 -2.271
182 HA ILE 31 HA ILE 31 1.978 3.458 -0.749
183 HB ILE 31 HB ILE 31 0.608 6.123 -0.401
184 HG12 ILE 31 2HG1 ILE 31 1.485 6.140 -2.691
185 HG13 ILE 31 3HG1 ILE 31 2.389 7.242 -1.669
186 HG21 ILE 31 1HG2 ILE 31 3.317 5.156 0.493
187 HG22 ILE 31 2HG2 ILE 31 1.898 5.419 1.507
188 HG23 ILE 31 3HG2 ILE 31 2.691 6.789 0.728
189 HD11 ILE 31 3HD1 ILE 31 3.290 4.537 -2.651
190 HD12 ILE 31 1HD1 ILE 31 4.196 5.546 -1.523
191 HD13 ILE 31 2HD1 ILE 31 3.891 6.113 -3.165
192 H CYS 32 H CYS 32 1.620 3.308 1.561
193 HA CYS 32 HA CYS 32 -1.074 2.426 2.218
194 HB2 CYS 32 2HB CYS 32 1.506 2.312 3.793
195 HB3 CYS 32 3HB CYS 32 -0.022 1.642 4.344
196 H TYR 33 H TYR 33 -2.393 4.155 2.525
197 HA TYR 33 HA TYR 33 -1.523 6.249 4.404
198 HB2 TYR 33 2HB TYR 33 -3.420 6.177 2.105
199 HB3 TYR 33 3HB TYR 33 -3.737 7.317 3.406
200 HD1 TYR 33 HD1 TYR 33 -1.947 9.019 3.980
201 HD2 TYR 33 HD2 TYR 33 -1.788 6.642 0.449
202 HE1 TYR 33 HE1 TYR 33 -0.361 10.611 2.983
203 HE2 TYR 33 HE2 TYR 33 -0.205 8.229 -0.551
204 HH TYR 33 HH TYR 33 1.373 10.637 1.242
205 H ILE 34 H ILE 34 -3.032 7.034 5.990
206 HA ILE 34 HA ILE 34 -4.659 4.885 7.105
207 HB ILE 34 HB ILE 34 -2.964 6.039 8.531
208 HG12 ILE 34 2HG1 ILE 34 -5.606 6.613 9.802
209 HG13 ILE 34 3HG1 ILE 34 -5.269 4.967 9.294
210 HG21 ILE 34 1HG2 ILE 34 -3.167 8.315 7.722
211 HG22 ILE 34 2HG2 ILE 34 -3.451 8.262 9.461
212 HG23 ILE 34 3HG2 ILE 34 -4.812 8.419 8.351
213 HD11 ILE 34 3HD1 ILE 34 -3.614 6.592 11.214
214 HD12 ILE 34 1HD1 ILE 34 -3.273 4.939 10.702
215 HD13 ILE 34 2HD1 ILE 34 -4.727 5.291 11.636
216 H ILE 35 H ILE 35 -6.817 4.898 7.245
217 HA ILE 35 HA ILE 35 -8.271 7.342 6.499
218 HB ILE 35 HB ILE 35 -9.994 5.808 5.381
219 HG12 ILE 35 2HG1 ILE 35 -8.424 3.868 4.245
220 HG13 ILE 35 3HG1 ILE 35 -7.831 3.868 5.903
221 HG21 ILE 35 1HG2 ILE 35 -8.632 7.388 4.162
222 HG22 ILE 35 2HG2 ILE 35 -8.808 5.896 3.238
223 HG23 ILE 35 3HG2 ILE 35 -7.304 6.230 4.097
224 HD11 ILE 35 3HD1 ILE 35 -10.693 3.496 5.050
225 HD12 ILE 35 1HD1 ILE 35 -10.102 3.495 6.712
226 HD13 ILE 35 2HD1 ILE 35 -9.592 2.230 5.594
Start of MODEL 3
1 H1 PCA 1 H1 PCA 1 4.926 -13.656 6.593
2 HA PCA 1 HA PCA 1 6.046 -12.967 4.280
3 HB2 PCA 1 3HB PCA 1 4.075 -13.016 2.950
4 HB3 PCA 1 2HB PCA 1 3.872 -11.319 3.530
5 HG2 PCA 1 3HG PCA 1 2.058 -12.772 4.316
6 HG3 PCA 1 2HG PCA 1 2.731 -14.050 3.283
7 H ASP 2 H ASP 2 6.507 -10.623 3.941
8 HA ASP 2 HA ASP 2 6.232 -9.099 6.434
9 HB2 ASP 2 2HB ASP 2 8.395 -9.064 4.322
10 HB3 ASP 2 3HB ASP 2 8.265 -7.835 5.576
11 H CYS 3 H CYS 3 4.386 -8.023 6.095
12 HA CYS 3 HA CYS 3 3.791 -6.641 3.643
13 HB2 CYS 3 2HB CYS 3 2.389 -6.575 6.316
14 HB3 CYS 3 3HB CYS 3 1.764 -5.880 4.830
15 HA PRO 4 HA PRO 4 5.607 -2.674 4.551
16 HB2 PRO 4 2HB PRO 4 3.898 -1.035 3.187
17 HB3 PRO 4 3HB PRO 4 5.096 -2.067 2.381
18 HG2 PRO 4 2HG PRO 4 2.179 -2.530 2.792
19 HG3 PRO 4 3HG PRO 4 3.167 -2.805 1.345
20 HD2 PRO 4 2HD PRO 4 2.473 -4.821 2.988
21 HD3 PRO 4 3HD PRO 4 4.035 -4.785 2.145
22 H GLY 5 H GLY 5 5.211 -0.583 5.559
23 HA2 GLY 5 2HA GLY 5 2.998 -0.692 7.505
24 HA3 GLY 5 3HA GLY 5 4.513 0.169 7.739
25 H GLU 6 H GLU 6 3.009 1.940 8.343
26 HA GLU 6 HA GLU 6 1.428 3.196 6.299
27 HB2 GLU 6 2HB GLU 6 1.019 3.263 8.823
28 HB3 GLU 6 3HB GLU 6 2.310 4.450 8.900
29 HG2 GLU 6 2HG GLU 6 1.041 5.924 7.412
30 HG3 GLU 6 3HG GLU 6 -0.257 4.734 7.344
31 H GLY 7 H GLY 7 2.107 4.504 4.756
32 HA2 GLY 7 2HA GLY 7 3.220 6.456 3.966
33 HA3 GLY 7 3HA GLY 7 4.425 6.249 5.224
34 H GLU 8 H GLU 8 3.944 3.256 3.924
35 HA GLU 8 HA GLU 8 6.319 3.502 2.227
36 HB2 GLU 8 2HB GLU 8 5.895 1.758 4.184
37 HB3 GLU 8 3HB GLU 8 5.087 0.867 2.904
38 HG2 GLU 8 2HG GLU 8 7.137 0.903 1.578
39 HG3 GLU 8 3HG GLU 8 7.948 1.803 2.859
40 H GLN 9 H GLN 9 6.354 2.039 0.252
41 HA GLN 9 HA GLN 9 4.055 2.652 -1.390
42 HB2 GLN 9 2HB GLN 9 6.543 2.832 -2.051
43 HB3 GLN 9 3HB GLN 9 6.475 1.090 -2.270
44 HG2 GLN 9 2HG GLN 9 4.669 1.391 -3.917
45 HG3 GLN 9 3HG GLN 9 4.815 3.138 -3.729
46 HE21 GLN 9 1HE2 GLN 9 6.309 0.248 -4.953
47 HE22 GLN 9 2HE2 GLN 9 7.484 1.033 -5.948
48 H CYS 10 H CYS 10 2.587 1.282 -2.211
49 HA CYS 10 HA CYS 10 2.843 -1.590 -1.615
50 HB2 CYS 10 2HB CYS 10 0.305 -1.555 -1.358
51 HB3 CYS 10 3HB CYS 10 1.232 -0.828 -0.053
52 H ASP 11 H ASP 11 2.714 -2.845 -3.356
53 HA ASP 11 HA ASP 11 1.649 -1.673 -5.828
54 HB2 ASP 11 2HB ASP 11 2.921 -3.513 -6.993
55 HB3 ASP 11 3HB ASP 11 3.915 -2.338 -6.148
56 H VAL 12 H VAL 12 0.438 -3.007 -7.299
57 HA VAL 12 HA VAL 12 -1.547 -4.590 -5.900
58 HB VAL 12 HB VAL 12 -2.696 -4.644 -8.175
59 HG11 VAL 12 1HG1 VAL 12 -3.388 -3.123 -6.431
60 HG12 VAL 12 2HG1 VAL 12 -3.462 -2.314 -7.998
61 HG13 VAL 12 3HG1 VAL 12 -2.129 -1.977 -6.893
62 HG21 VAL 12 3HG2 VAL 12 -0.768 -4.200 -9.610
63 HG22 VAL 12 1HG2 VAL 12 -0.565 -2.613 -8.868
64 HG23 VAL 12 2HG2 VAL 12 -2.004 -2.959 -9.825
65 H GLU 13 H GLU 13 1.303 -5.558 -6.659
66 HA GLU 13 HA GLU 13 0.592 -7.934 -8.215
67 HB2 GLU 13 2HB GLU 13 3.244 -6.692 -7.505
68 HB3 GLU 13 3HB GLU 13 3.124 -8.309 -8.183
69 HG2 GLU 13 2HG GLU 13 2.019 -7.400 -10.164
70 HG3 GLU 13 3HG GLU 13 2.137 -5.779 -9.483
71 H PHE 14 H PHE 14 2.680 -7.315 -5.343
72 HA PHE 14 HA PHE 14 1.405 -9.520 -3.940
73 HB2 PHE 14 2HB PHE 14 3.453 -10.276 -5.455
74 HB3 PHE 14 3HB PHE 14 4.384 -9.696 -4.078
75 HD1 PHE 14 HD1 PHE 14 1.962 -12.184 -5.241
76 HD2 PHE 14 HD2 PHE 14 4.356 -10.858 -1.984
77 HE1 PHE 14 HE1 PHE 14 1.566 -14.323 -4.081
78 HE2 PHE 14 HE2 PHE 14 3.967 -12.991 -0.819
79 HZ PHE 14 HZ PHE 14 2.570 -14.726 -1.865
80 H ASN 15 H ASN 15 2.561 -6.466 -3.801
81 HA ASN 15 HA ASN 15 3.251 -6.716 -0.949
82 HB2 ASN 15 2HB ASN 15 5.096 -5.988 -2.639
83 HB3 ASN 15 3HB ASN 15 4.266 -4.436 -2.621
84 HD21 ASN 15 1HD2 ASN 15 4.264 -3.205 -0.738
85 HD22 ASN 15 2HD2 ASN 15 5.372 -3.503 0.553
86 HA PRO 16 HA PRO 16 -0.335 -3.772 -1.096
87 HB2 PRO 16 2HB PRO 16 -2.162 -5.523 0.118
88 HB3 PRO 16 3HB PRO 16 -2.042 -5.203 -1.619
89 HG2 PRO 16 2HG PRO 16 -1.507 -7.641 -0.318
90 HG3 PRO 16 3HG PRO 16 -1.172 -7.236 -2.011
91 HD2 PRO 16 2HD PRO 16 0.672 -7.247 0.324
92 HD3 PRO 16 3HD PRO 16 1.007 -7.582 -1.389
93 H CYS 17 H CYS 17 -1.659 -2.926 0.809
94 HA CYS 17 HA CYS 17 -0.016 -2.958 3.199
95 HB2 CYS 17 2HB CYS 17 -2.620 -1.461 2.851
96 HB3 CYS 17 3HB CYS 17 -1.314 -1.111 3.975
97 H CYS 18 H CYS 18 -0.241 -4.668 4.502
98 HA CYS 18 HA CYS 18 -2.740 -6.061 4.812
99 HB2 CYS 18 2HB CYS 18 -0.142 -6.479 6.294
100 HB3 CYS 18 3HB CYS 18 -1.525 -7.563 6.301
101 HA PRO 19 HA PRO 19 -2.482 -4.133 9.299
102 HB2 PRO 19 2HB PRO 19 -1.041 -1.594 8.904
103 HB3 PRO 19 3HB PRO 19 -0.770 -2.847 10.122
104 HG2 PRO 19 2HG PRO 19 0.983 -2.412 8.164
105 HG3 PRO 19 3HG PRO 19 0.655 -4.045 8.785
106 HD2 PRO 19 2HD PRO 19 -0.398 -2.730 6.307
107 HD3 PRO 19 3HD PRO 19 0.258 -4.365 6.519
108 HA PRO 20 HA PRO 20 -5.874 -1.272 8.599
109 HB2 PRO 20 2HB PRO 20 -5.027 0.700 10.643
110 HB3 PRO 20 3HB PRO 20 -6.493 -0.295 10.576
111 HG2 PRO 20 2HG PRO 20 -4.588 -0.818 12.336
112 HG3 PRO 20 3HG PRO 20 -5.464 -2.129 11.515
113 HD2 PRO 20 2HD PRO 20 -2.739 -1.029 10.924
114 HD3 PRO 20 3HD PRO 20 -3.272 -2.721 11.019
115 H LEU 21 H LEU 21 -4.034 -0.763 6.697
116 HA LEU 21 HA LEU 21 -4.299 2.132 6.268
117 HB2 LEU 21 2HB LEU 21 -1.842 0.486 5.633
118 HB3 LEU 21 3HB LEU 21 -2.112 2.118 5.073
119 HG LEU 21 HG LEU 21 -0.619 2.374 6.832
120 HD11 LEU 21 1HD1 LEU 21 -3.271 2.767 8.194
121 HD12 LEU 21 2HD1 LEU 21 -2.511 3.908 7.084
122 HD13 LEU 21 3HD1 LEU 21 -1.738 3.524 8.620
123 HD21 LEU 21 3HD2 LEU 21 -2.201 0.304 8.313
124 HD22 LEU 21 1HD2 LEU 21 -0.950 1.293 9.069
125 HD23 LEU 21 2HD2 LEU 21 -0.534 0.214 7.738
126 H THR 22 H THR 22 -4.343 2.759 4.037
127 HA THR 22 HA THR 22 -5.315 0.614 2.275
128 HB THR 22 HB THR 22 -7.115 2.127 2.783
129 HG1 THR 22 HG1 THR 22 -6.105 2.628 0.169
130 HG21 THR 22 3HG2 THR 22 -7.072 4.508 2.268
131 HG22 THR 22 1HG2 THR 22 -5.387 4.376 1.764
132 HG23 THR 22 2HG2 THR 22 -5.827 4.100 3.448
133 H CYS 23 H CYS 23 -4.945 0.933 -0.055
134 HA CYS 23 HA CYS 23 -2.259 2.008 -0.507
135 HB2 CYS 23 2HB CYS 23 -2.995 -0.414 -1.072
136 HB3 CYS 23 3HB CYS 23 -3.786 0.317 -2.463
137 H ILE 24 H ILE 24 -2.316 4.084 -1.078
138 HA ILE 24 HA ILE 24 -4.015 4.863 -3.343
139 HB ILE 24 HB ILE 24 -3.394 6.758 -1.065
140 HG12 ILE 24 2HG1 ILE 24 -6.050 5.396 -1.541
141 HG13 ILE 24 3HG1 ILE 24 -4.870 4.803 -0.395
142 HG21 ILE 24 1HG2 ILE 24 -3.847 7.791 -3.252
143 HG22 ILE 24 2HG2 ILE 24 -5.107 8.168 -2.078
144 HG23 ILE 24 3HG2 ILE 24 -5.399 6.952 -3.322
145 HD11 ILE 24 3HD1 ILE 24 -5.027 6.940 0.825
146 HD12 ILE 24 1HD1 ILE 24 -6.563 6.079 0.748
147 HD13 ILE 24 2HD1 ILE 24 -6.274 7.463 -0.303
148 HA PRO 25 HA PRO 25 -4.088 6.177 -5.080
149 HB2 PRO 25 2HB PRO 25 -3.055 5.785 -7.586
150 HB3 PRO 25 3HB PRO 25 -3.152 7.378 -6.812
151 HG2 PRO 25 2HG PRO 25 -0.821 5.530 -7.028
152 HG3 PRO 25 3HG PRO 25 -0.886 7.288 -7.245
153 HD2 PRO 25 2HD PRO 25 0.012 6.177 -4.965
154 HD3 PRO 25 3HD PRO 25 -0.875 7.709 -4.975
155 H GLY 26 H GLY 26 -1.492 3.888 -6.090
156 HA2 GLY 26 2HA GLY 26 -1.529 1.557 -6.000
157 HA3 GLY 26 3HA GLY 26 -3.200 1.623 -5.467
158 H ASP 27 H ASP 27 -1.940 3.203 -8.361
159 HA ASP 27 HA ASP 27 -3.183 1.165 -10.059
160 HB2 ASP 27 2HB ASP 27 -3.907 4.096 -10.096
161 HB3 ASP 27 3HB ASP 27 -4.255 3.007 -11.434
162 HA PRO 28 HA PRO 28 -1.753 -0.255 -10.385
163 HB2 PRO 28 2HB PRO 28 0.972 -1.071 -10.757
164 HB3 PRO 28 3HB PRO 28 -0.439 -1.528 -11.724
165 HG2 PRO 28 2HG PRO 28 1.650 -0.003 -12.646
166 HG3 PRO 28 3HG PRO 28 0.018 -0.013 -13.339
167 HD2 PRO 28 2HD PRO 28 1.262 1.965 -11.480
168 HD3 PRO 28 3HD PRO 28 0.164 2.235 -12.849
169 H TYR 29 H TYR 29 1.113 1.655 -9.583
170 HA TYR 29 HA TYR 29 1.479 0.324 -7.021
171 HB2 TYR 29 2HB TYR 29 2.978 2.615 -8.306
172 HB3 TYR 29 3HB TYR 29 3.414 1.866 -6.778
173 HD1 TYR 29 HD1 TYR 29 3.189 1.314 -10.424
174 HD2 TYR 29 HD2 TYR 29 4.607 -0.198 -6.711
175 HE1 TYR 29 HE1 TYR 29 4.549 -0.341 -11.628
176 HE2 TYR 29 HE2 TYR 29 5.975 -1.859 -7.904
177 HH TYR 29 HH TYR 29 6.559 -1.702 -11.241
178 H GLY 30 H GLY 30 1.491 1.435 -5.012
179 HA2 GLY 30 2HA GLY 30 0.232 4.054 -4.897
180 HA3 GLY 30 3HA GLY 30 -0.673 2.732 -4.194
181 H ILE 31 H ILE 31 -0.457 4.171 -2.278
182 HA ILE 31 HA ILE 31 1.959 3.451 -0.750
183 HB ILE 31 HB ILE 31 0.599 6.123 -0.409
184 HG12 ILE 31 2HG1 ILE 31 1.491 6.132 -2.694
185 HG13 ILE 31 3HG1 ILE 31 2.396 7.229 -1.667
186 HG21 ILE 31 1HG2 ILE 31 3.297 5.141 0.504
187 HG22 ILE 31 2HG2 ILE 31 1.873 5.415 1.508
188 HG23 ILE 31 3HG2 ILE 31 2.680 6.778 0.732
189 HD11 ILE 31 3HD1 ILE 31 3.292 4.503 -2.596
190 HD12 ILE 31 1HD1 ILE 31 4.206 5.562 -1.522
191 HD13 ILE 31 2HD1 ILE 31 3.876 6.060 -3.181
192 H CYS 32 H CYS 32 1.600 3.297 1.553
193 HA CYS 32 HA CYS 32 -1.091 2.417 2.209
194 HB2 CYS 32 2HB CYS 32 1.500 2.295 3.765
195 HB3 CYS 32 3HB CYS 32 -0.027 1.645 4.341
196 H TYR 33 H TYR 33 -2.408 4.153 2.515
197 HA TYR 33 HA TYR 33 -1.535 6.240 4.399
198 HB2 TYR 33 2HB TYR 33 -3.435 6.175 2.102
199 HB3 TYR 33 3HB TYR 33 -3.749 7.313 3.406
200 HD1 TYR 33 HD1 TYR 33 -1.952 9.010 3.983
201 HD2 TYR 33 HD2 TYR 33 -1.806 6.640 0.447
202 HE1 TYR 33 HE1 TYR 33 -0.364 10.599 2.986
203 HE2 TYR 33 HE2 TYR 33 -0.221 8.224 -0.554
204 HH TYR 33 HH TYR 33 0.435 10.580 -0.310
205 H ILE 34 H ILE 34 -3.020 7.013 6.002
206 HA ILE 34 HA ILE 34 -4.652 4.869 7.112
207 HB ILE 34 HB ILE 34 -2.950 6.015 8.535
208 HG12 ILE 34 2HG1 ILE 34 -5.585 6.592 9.818
209 HG13 ILE 34 3HG1 ILE 34 -5.254 4.946 9.305
210 HG21 ILE 34 1HG2 ILE 34 -3.427 8.237 9.474
211 HG22 ILE 34 2HG2 ILE 34 -4.792 8.400 8.369
212 HG23 ILE 34 3HG2 ILE 34 -3.151 8.294 7.732
213 HD11 ILE 34 3HD1 ILE 34 -3.588 6.563 11.222
214 HD12 ILE 34 1HD1 ILE 34 -3.252 4.911 10.704
215 HD13 ILE 34 2HD1 ILE 34 -4.702 5.263 11.645
216 H ILE 35 H ILE 35 -6.809 4.882 7.254
217 HA ILE 35 HA ILE 35 -8.264 7.331 6.525
218 HB ILE 35 HB ILE 35 -9.993 5.802 5.408
219 HG12 ILE 35 2HG1 ILE 35 -8.431 3.865 4.258
220 HG13 ILE 35 3HG1 ILE 35 -7.827 3.860 5.911
221 HG21 ILE 35 1HG2 ILE 35 -8.815 5.899 3.261
222 HG22 ILE 35 2HG2 ILE 35 -7.307 6.226 4.115
223 HG23 ILE 35 3HG2 ILE 35 -8.633 7.386 4.190
224 HD11 ILE 35 3HD1 ILE 35 -9.591 2.224 5.608
225 HD12 ILE 35 1HD1 ILE 35 -10.695 3.493 5.077
226 HD13 ILE 35 2HD1 ILE 35 -10.093 3.485 6.735
Start of MODEL 4
1 H1 PCA 1 H1 PCA 1 5.247 -13.673 6.313
2 HA PCA 1 HA PCA 1 6.143 -12.853 3.946
3 HB2 PCA 1 3HB PCA 1 4.074 -12.951 2.777
4 HB3 PCA 1 2HB PCA 1 3.843 -11.285 3.437
5 HG2 PCA 1 3HG PCA 1 2.167 -12.851 4.311
6 HG3 PCA 1 2HG PCA 1 2.809 -14.057 3.179
7 H ASP 2 H ASP 2 6.529 -10.510 3.682
8 HA ASP 2 HA ASP 2 6.306 -9.051 6.222
9 HB2 ASP 2 2HB ASP 2 8.428 -8.941 4.072
10 HB3 ASP 2 3HB ASP 2 8.304 -7.742 5.354
11 H CYS 3 H CYS 3 4.443 -7.986 5.944
12 HA CYS 3 HA CYS 3 3.772 -6.577 3.529
13 HB2 CYS 3 2HB CYS 3 2.444 -6.528 6.242
14 HB3 CYS 3 3HB CYS 3 1.772 -5.852 4.769
15 HA PRO 4 HA PRO 4 5.594 -2.610 4.435
16 HB2 PRO 4 2HB PRO 4 3.855 -0.971 3.109
17 HB3 PRO 4 3HB PRO 4 5.042 -1.993 2.277
18 HG2 PRO 4 2HG PRO 4 2.135 -2.469 2.732
19 HG3 PRO 4 3HG PRO 4 3.101 -2.736 1.269
20 HD2 PRO 4 2HD PRO 4 2.437 -4.757 2.921
21 HD3 PRO 4 3HD PRO 4 3.979 -4.718 2.044
22 H GLY 5 H GLY 5 5.215 -0.542 5.478
23 HA2 GLY 5 2HA GLY 5 3.025 -0.664 7.449
24 HA3 GLY 5 3HA GLY 5 4.546 0.189 7.673
25 H GLU 6 H GLU 6 2.992 1.930 8.322
26 HA GLU 6 HA GLU 6 1.414 3.219 6.304
27 HB2 GLU 6 2HB GLU 6 1.030 3.253 8.836
28 HB3 GLU 6 3HB GLU 6 2.313 4.450 8.910
29 HG2 GLU 6 2HG GLU 6 1.020 5.932 7.457
30 HG3 GLU 6 3HG GLU 6 -0.268 4.731 7.374
31 H GLY 7 H GLY 7 2.103 4.507 4.751
32 HA2 GLY 7 2HA GLY 7 3.201 6.476 3.970
33 HA3 GLY 7 3HA GLY 7 4.410 6.270 5.225
34 H GLU 8 H GLU 8 3.971 3.272 3.956
35 HA GLU 8 HA GLU 8 6.325 3.534 2.237
36 HB2 GLU 8 2HB GLU 8 5.928 1.795 4.203
37 HB3 GLU 8 3HB GLU 8 5.119 0.891 2.934
38 HG2 GLU 8 2HG GLU 8 7.160 0.936 1.593
39 HG3 GLU 8 3HG GLU 8 7.972 1.849 2.864
40 H GLN 9 H GLN 9 6.364 2.059 0.269
41 HA GLN 9 HA GLN 9 4.060 2.654 -1.370
42 HB2 GLN 9 2HB GLN 9 6.549 2.831 -2.037
43 HB3 GLN 9 3HB GLN 9 6.476 1.089 -2.252
44 HG2 GLN 9 2HG GLN 9 4.664 1.391 -3.894
45 HG3 GLN 9 3HG GLN 9 4.816 3.138 -3.708
46 HE21 GLN 9 1HE2 GLN 9 6.629 4.186 -4.531
47 HE22 GLN 9 2HE2 GLN 9 7.673 3.441 -5.688
48 H CYS 10 H CYS 10 2.595 1.279 -2.188
49 HA CYS 10 HA CYS 10 2.853 -1.591 -1.580
50 HB2 CYS 10 2HB CYS 10 0.313 -1.557 -1.330
51 HB3 CYS 10 3HB CYS 10 1.238 -0.825 -0.024
52 H ASP 11 H ASP 11 2.719 -2.857 -3.314
53 HA ASP 11 HA ASP 11 1.669 -1.691 -5.796
54 HB2 ASP 11 2HB ASP 11 2.933 -3.548 -6.945
55 HB3 ASP 11 3HB ASP 11 3.931 -2.371 -6.107
56 H VAL 12 H VAL 12 0.448 -3.013 -7.260
57 HA VAL 12 HA VAL 12 -1.545 -4.588 -5.862
58 HB VAL 12 HB VAL 12 -2.700 -4.627 -8.131
59 HG11 VAL 12 1HG1 VAL 12 -3.375 -3.101 -6.387
60 HG12 VAL 12 2HG1 VAL 12 -3.446 -2.289 -7.951
61 HG13 VAL 12 3HG1 VAL 12 -2.108 -1.966 -6.850
62 HG21 VAL 12 3HG2 VAL 12 -2.001 -2.947 -9.783
63 HG22 VAL 12 1HG2 VAL 12 -0.776 -4.198 -9.573
64 HG23 VAL 12 2HG2 VAL 12 -0.555 -2.614 -8.831
65 H GLU 13 H GLU 13 1.301 -5.565 -6.641
66 HA GLU 13 HA GLU 13 0.576 -7.930 -8.206
67 HB2 GLU 13 2HB GLU 13 3.233 -6.713 -7.479
68 HB3 GLU 13 3HB GLU 13 3.104 -8.324 -8.167
69 HG2 GLU 13 2HG GLU 13 2.014 -7.393 -10.146
70 HG3 GLU 13 3HG GLU 13 2.140 -5.777 -9.453
71 H PHE 14 H PHE 14 2.651 -7.341 -5.320
72 HA PHE 14 HA PHE 14 1.358 -9.550 -3.939
73 HB2 PHE 14 2HB PHE 14 3.411 -10.308 -5.447
74 HB3 PHE 14 3HB PHE 14 4.336 -9.741 -4.060
75 HD1 PHE 14 HD1 PHE 14 1.906 -12.207 -5.253
76 HD2 PHE 14 HD2 PHE 14 4.293 -10.917 -1.975
77 HE1 PHE 14 HE1 PHE 14 1.492 -14.352 -4.110
78 HE2 PHE 14 HE2 PHE 14 3.886 -13.055 -0.827
79 HZ PHE 14 HZ PHE 14 2.483 -14.775 -1.892
80 H ASN 15 H ASN 15 2.542 -6.503 -3.779
81 HA ASN 15 HA ASN 15 3.199 -6.773 -0.921
82 HB2 ASN 15 2HB ASN 15 5.073 -6.067 -2.587
83 HB3 ASN 15 3HB ASN 15 4.266 -4.503 -2.574
84 HD21 ASN 15 1HD2 ASN 15 4.260 -3.278 -0.687
85 HD22 ASN 15 2HD2 ASN 15 5.349 -3.596 0.617
86 HA PRO 16 HA PRO 16 -0.344 -3.778 -1.099
87 HB2 PRO 16 2HB PRO 16 -2.203 -5.507 0.100
88 HB3 PRO 16 3HB PRO 16 -2.068 -5.184 -1.636
89 HG2 PRO 16 2HG PRO 16 -1.576 -7.633 -0.341
90 HG3 PRO 16 3HG PRO 16 -1.220 -7.226 -2.029
91 HD2 PRO 16 2HD PRO 16 0.602 -7.270 0.322
92 HD3 PRO 16 3HD PRO 16 0.948 -7.606 -1.388
93 H CYS 17 H CYS 17 -1.667 -2.910 0.796
94 HA CYS 17 HA CYS 17 -0.038 -2.943 3.189
95 HB2 CYS 17 2HB CYS 17 -2.656 -1.472 2.830
96 HB3 CYS 17 3HB CYS 17 -1.368 -1.117 3.973
97 H CYS 18 H CYS 18 -0.240 -4.661 4.483
98 HA CYS 18 HA CYS 18 -2.722 -6.080 4.806
99 HB2 CYS 18 2HB CYS 18 -0.107 -6.466 6.269
100 HB3 CYS 18 3HB CYS 18 -1.479 -7.564 6.299
101 HA PRO 19 HA PRO 19 -2.480 -4.148 9.288
102 HB2 PRO 19 2HB PRO 19 -1.050 -1.601 8.910
103 HB3 PRO 19 3HB PRO 19 -0.767 -2.866 10.114
104 HG2 PRO 19 2HG PRO 19 0.973 -2.396 8.150
105 HG3 PRO 19 3HG PRO 19 0.666 -4.036 8.763
106 HD2 PRO 19 2HD PRO 19 -0.413 -2.718 6.298
107 HD3 PRO 19 3HD PRO 19 0.261 -4.348 6.497
108 HA PRO 20 HA PRO 20 -5.879 -1.296 8.586
109 HB2 PRO 20 2HB PRO 20 -5.046 0.674 10.637
110 HB3 PRO 20 3HB PRO 20 -6.507 -0.329 10.564
111 HG2 PRO 20 2HG PRO 20 -4.602 -0.844 12.326
112 HG3 PRO 20 3HG PRO 20 -5.469 -2.158 11.503
113 HD2 PRO 20 2HD PRO 20 -2.749 -1.044 10.917
114 HD3 PRO 20 3HD PRO 20 -3.274 -2.739 11.009
115 H LEU 21 H LEU 21 -4.038 -0.776 6.689
116 HA LEU 21 HA LEU 21 -4.309 2.119 6.268
117 HB2 LEU 21 2HB LEU 21 -1.846 0.483 5.633
118 HB3 LEU 21 3HB LEU 21 -2.119 2.117 5.077
119 HG LEU 21 HG LEU 21 -0.629 2.368 6.840
120 HD11 LEU 21 1HD1 LEU 21 -3.286 2.757 8.195
121 HD12 LEU 21 2HD1 LEU 21 -2.523 3.901 7.092
122 HD13 LEU 21 3HD1 LEU 21 -1.755 3.513 8.631
123 HD21 LEU 21 3HD2 LEU 21 -2.214 0.293 8.313
124 HD22 LEU 21 1HD2 LEU 21 -0.967 1.282 9.076
125 HD23 LEU 21 2HD2 LEU 21 -0.545 0.208 7.744
126 H THR 22 H THR 22 -4.354 2.753 4.040
127 HA THR 22 HA THR 22 -5.319 0.611 2.270
128 HB THR 22 HB THR 22 -7.119 2.125 2.777
129 HG1 THR 22 HG1 THR 22 -7.497 1.684 0.734
130 HG21 THR 22 3HG2 THR 22 -5.830 4.097 3.445
131 HG22 THR 22 1HG2 THR 22 -7.073 4.506 2.265
132 HG23 THR 22 2HG2 THR 22 -5.387 4.374 1.763
133 H CYS 23 H CYS 23 -4.940 0.929 -0.057
134 HA CYS 23 HA CYS 23 -2.254 2.007 -0.502
135 HB2 CYS 23 2HB CYS 23 -2.992 -0.415 -1.069
136 HB3 CYS 23 3HB CYS 23 -3.773 0.319 -2.465
137 H ILE 24 H ILE 24 -2.311 4.084 -1.070
138 HA ILE 24 HA ILE 24 -4.002 4.865 -3.339
139 HB ILE 24 HB ILE 24 -3.388 6.757 -1.058
140 HG12 ILE 24 2HG1 ILE 24 -6.042 5.397 -1.542
141 HG13 ILE 24 3HG1 ILE 24 -4.865 4.802 -0.394
142 HG21 ILE 24 1HG2 ILE 24 -5.385 6.955 -3.320
143 HG22 ILE 24 2HG2 ILE 24 -3.834 7.793 -3.245
144 HG23 ILE 24 3HG2 ILE 24 -5.096 8.170 -2.073
145 HD11 ILE 24 3HD1 ILE 24 -5.026 6.937 0.828
146 HD12 ILE 24 1HD1 ILE 24 -6.562 6.078 0.745
147 HD13 ILE 24 2HD1 ILE 24 -6.269 7.462 -0.304
148 HA PRO 25 HA PRO 25 -4.070 6.182 -5.075
149 HB2 PRO 25 2HB PRO 25 -3.031 5.791 -7.578
150 HB3 PRO 25 3HB PRO 25 -3.127 7.385 -6.803
151 HG2 PRO 25 2HG PRO 25 -0.799 5.531 -7.013
152 HG3 PRO 25 3HG PRO 25 -0.861 7.289 -7.230
153 HD2 PRO 25 2HD PRO 25 0.029 6.177 -4.948
154 HD3 PRO 25 3HD PRO 25 -0.855 7.711 -4.959
155 H GLY 26 H GLY 26 -1.473 3.890 -6.082
156 HA2 GLY 26 2HA GLY 26 -1.516 1.558 -5.993
157 HA3 GLY 26 3HA GLY 26 -3.189 1.628 -5.465
158 H ASP 27 H ASP 27 -1.914 3.206 -8.354
159 HA ASP 27 HA ASP 27 -3.164 1.176 -10.057
160 HB2 ASP 27 2HB ASP 27 -3.860 4.113 -10.101
161 HB3 ASP 27 3HB ASP 27 -4.215 3.024 -11.437
162 HA PRO 28 HA PRO 28 -1.744 -0.256 -10.366
163 HB2 PRO 28 2HB PRO 28 0.975 -1.098 -10.723
164 HB3 PRO 28 3HB PRO 28 -0.435 -1.544 -11.695
165 HG2 PRO 28 2HG PRO 28 1.673 -0.043 -12.611
166 HG3 PRO 28 3HG PRO 28 0.046 -0.042 -13.315
167 HD2 PRO 28 2HD PRO 28 1.295 1.934 -11.456
168 HD3 PRO 28 3HD PRO 28 0.205 2.207 -12.831
169 H TYR 29 H TYR 29 1.138 1.631 -9.560
170 HA TYR 29 HA TYR 29 1.484 0.307 -6.994
171 HB2 TYR 29 2HB TYR 29 3.001 2.587 -8.280
172 HB3 TYR 29 3HB TYR 29 3.427 1.841 -6.747
173 HD1 TYR 29 HD2 TYR 29 3.214 1.277 -10.393
174 HD2 TYR 29 HD1 TYR 29 4.611 -0.229 -6.668
175 HE1 TYR 29 HE2 TYR 29 4.568 -0.391 -11.585
176 HE2 TYR 29 HE1 TYR 29 5.973 -1.900 -7.849
177 HH TYR 29 HH TYR 29 6.572 -1.761 -11.184
178 H GLY 30 H GLY 30 1.497 1.425 -4.988
179 HA2 GLY 30 2HA GLY 30 0.250 4.049 -4.885
180 HA3 GLY 30 3HA GLY 30 -0.663 2.733 -4.180
181 H ILE 31 H ILE 31 -0.450 4.171 -2.266
182 HA ILE 31 HA ILE 31 1.962 3.450 -0.730
183 HB ILE 31 HB ILE 31 0.601 6.122 -0.391
184 HG12 ILE 31 2HG1 ILE 31 1.495 6.133 -2.675
185 HG13 ILE 31 3HG1 ILE 31 2.400 7.229 -1.648
186 HG21 ILE 31 1HG2 ILE 31 3.298 5.140 0.522
187 HG22 ILE 31 2HG2 ILE 31 1.874 5.412 1.526
188 HG23 ILE 31 3HG2 ILE 31 2.680 6.776 0.752
189 HD11 ILE 31 3HD1 ILE 31 3.881 6.061 -3.161
190 HD12 ILE 31 1HD1 ILE 31 3.296 4.503 -2.577
191 HD13 ILE 31 2HD1 ILE 31 4.210 5.560 -1.502
192 H CYS 32 H CYS 32 1.598 3.291 1.569
193 HA CYS 32 HA CYS 32 -1.097 2.415 2.217
194 HB2 CYS 32 2HB CYS 32 1.496 2.281 3.767
195 HB3 CYS 32 3HB CYS 32 -0.032 1.646 4.356
196 H TYR 33 H TYR 33 -2.413 4.150 2.523
197 HA TYR 33 HA TYR 33 -1.543 6.233 4.414
198 HB2 TYR 33 2HB TYR 33 -3.435 6.174 2.111
199 HB3 TYR 33 3HB TYR 33 -3.751 7.311 3.416
200 HD1 TYR 33 HD1 TYR 33 -1.949 9.000 4.002
201 HD2 TYR 33 HD2 TYR 33 -1.806 6.641 0.459
202 HE1 TYR 33 HE1 TYR 33 -0.354 10.589 3.012
203 HE2 TYR 33 HE2 TYR 33 -0.214 8.224 -0.535
204 HH TYR 33 HH TYR 33 0.449 10.577 -0.283
205 H ILE 34 H ILE 34 -3.030 7.001 6.015
206 HA ILE 34 HA ILE 34 -4.670 4.858 7.115
207 HB ILE 34 HB ILE 34 -2.972 5.998 8.546
208 HG12 ILE 34 2HG1 ILE 34 -5.612 6.578 9.819
209 HG13 ILE 34 3HG1 ILE 34 -5.280 4.932 9.305
210 HG21 ILE 34 1HG2 ILE 34 -3.164 8.278 7.747
211 HG22 ILE 34 2HG2 ILE 34 -3.447 8.219 9.486
212 HG23 ILE 34 3HG2 ILE 34 -4.808 8.388 8.376
213 HD11 ILE 34 3HD1 ILE 34 -4.739 5.248 11.649
214 HD12 ILE 34 1HD1 ILE 34 -3.620 6.546 11.231
215 HD13 ILE 34 2HD1 ILE 34 -3.286 4.894 10.714
216 H ILE 35 H ILE 35 -6.828 4.873 7.244
217 HA ILE 35 HA ILE 35 -8.276 7.325 6.518
218 HB ILE 35 HB ILE 35 -10.002 5.804 5.387
219 HG12 ILE 35 2HG1 ILE 35 -8.444 3.865 4.239
220 HG13 ILE 35 3HG1 ILE 35 -7.843 3.854 5.893
221 HG21 ILE 35 1HG2 ILE 35 -8.814 5.904 3.247
222 HG22 ILE 35 2HG2 ILE 35 -7.308 6.222 4.109
223 HG23 ILE 35 3HG2 ILE 35 -8.630 7.388 4.183
224 HD11 ILE 35 3HD1 ILE 35 -10.711 3.500 5.059
225 HD12 ILE 35 1HD1 ILE 35 -10.106 3.480 6.715
226 HD13 ILE 35 2HD1 ILE 35 -9.612 2.224 5.580
Start of MODEL 5
1 H1 PCA 1 H1 PCA 1 5.345 -14.254 6.026
2 HA PCA 1 HA PCA 1 6.062 -12.931 4.192
3 HB2 PCA 1 3HB PCA 1 4.056 -12.979 2.916
4 HB3 PCA 1 2HB PCA 1 3.844 -11.298 3.545
5 HG2 PCA 1 3HG PCA 1 2.074 -12.801 4.344
6 HG3 PCA 1 2HG PCA 1 2.736 -14.040 3.259
7 H ASP 2 H ASP 2 6.506 -10.588 3.914
8 HA ASP 2 HA ASP 2 6.235 -9.114 6.440
9 HB2 ASP 2 2HB ASP 2 8.566 -9.818 5.485
10 HB3 ASP 2 3HB ASP 2 8.321 -8.480 4.366
11 H CYS 3 H CYS 3 4.387 -8.026 6.108
12 HA CYS 3 HA CYS 3 3.805 -6.614 3.669
13 HB2 CYS 3 2HB CYS 3 2.383 -6.579 6.334
14 HB3 CYS 3 3HB CYS 3 1.768 -5.877 4.848
15 HA PRO 4 HA PRO 4 5.606 -2.660 4.663
16 HB2 PRO 4 2HB PRO 4 3.931 -1.006 3.278
17 HB3 PRO 4 3HB PRO 4 5.140 -2.035 2.487
18 HG2 PRO 4 2HG PRO 4 2.214 -2.490 2.832
19 HG3 PRO 4 3HG PRO 4 3.232 -2.760 1.405
20 HD2 PRO 4 2HD PRO 4 2.492 -4.781 3.029
21 HD3 PRO 4 3HD PRO 4 4.063 -4.753 2.205
22 H GLY 5 H GLY 5 5.190 -0.585 5.688
23 HA2 GLY 5 2HA GLY 5 2.940 -0.713 7.588
24 HA3 GLY 5 3HA GLY 5 4.444 0.159 7.851
25 H GLU 6 H GLU 6 2.979 1.949 8.424
26 HA GLU 6 HA GLU 6 1.406 3.187 6.354
27 HB2 GLU 6 2HB GLU 6 0.936 3.260 8.861
28 HB3 GLU 6 3HB GLU 6 2.237 4.434 8.976
29 HG2 GLU 6 2HG GLU 6 1.014 5.921 7.454
30 HG3 GLU 6 3HG GLU 6 -0.297 4.746 7.370
31 H GLY 7 H GLY 7 2.118 4.474 4.813
32 HA2 GLY 7 2HA GLY 7 3.256 6.351 3.942
33 HA3 GLY 7 3HA GLY 7 4.365 6.287 5.302
34 H GLU 8 H GLU 8 3.539 3.513 3.319
35 HA GLU 8 HA GLU 8 6.210 3.590 2.082
36 HB2 GLU 8 2HB GLU 8 5.704 1.902 4.079
37 HB3 GLU 8 3HB GLU 8 4.987 0.959 2.782
38 HG2 GLU 8 2HG GLU 8 7.108 0.997 1.573
39 HG3 GLU 8 3HG GLU 8 7.829 1.951 2.869
40 H GLN 9 H GLN 9 6.354 2.121 0.141
41 HA GLN 9 HA GLN 9 4.111 2.636 -1.598
42 HB2 GLN 9 2HB GLN 9 6.602 2.837 -2.190
43 HB3 GLN 9 3HB GLN 9 6.592 1.086 -2.323
44 HG2 GLN 9 2HG GLN 9 4.834 1.254 -4.044
45 HG3 GLN 9 3HG GLN 9 4.937 3.013 -3.944
46 HE21 GLN 9 1HE2 GLN 9 6.525 0.099 -4.972
47 HE22 GLN 9 2HE2 GLN 9 7.722 0.856 -5.962
48 H CYS 10 H CYS 10 2.579 1.286 -2.215
49 HA CYS 10 HA CYS 10 2.880 -1.591 -1.659
50 HB2 CYS 10 2HB CYS 10 0.339 -1.557 -1.371
51 HB3 CYS 10 3HB CYS 10 1.288 -0.840 -0.075
52 H ASP 11 H ASP 11 2.740 -2.850 -3.393
53 HA ASP 11 HA ASP 11 1.645 -1.692 -5.857
54 HB2 ASP 11 2HB ASP 11 2.900 -3.534 -7.028
55 HB3 ASP 11 3HB ASP 11 3.908 -2.367 -6.188
56 H VAL 12 H VAL 12 0.415 -3.024 -7.309
57 HA VAL 12 HA VAL 12 -1.565 -4.592 -5.886
58 HB VAL 12 HB VAL 12 -2.732 -4.648 -8.154
59 HG11 VAL 12 1HG1 VAL 12 -3.403 -3.121 -6.407
60 HG12 VAL 12 2HG1 VAL 12 -3.488 -2.316 -7.974
61 HG13 VAL 12 3HG1 VAL 12 -2.145 -1.980 -6.883
62 HG21 VAL 12 3HG2 VAL 12 -0.814 -4.215 -9.605
63 HG22 VAL 12 1HG2 VAL 12 -0.598 -2.627 -8.866
64 HG23 VAL 12 2HG2 VAL 12 -2.046 -2.970 -9.813
65 H GLU 13 H GLU 13 1.274 -5.576 -6.666
66 HA GLU 13 HA GLU 13 0.539 -7.957 -8.204
67 HB2 GLU 13 2HB GLU 13 3.202 -6.720 -7.531
68 HB3 GLU 13 3HB GLU 13 3.069 -8.340 -8.200
69 HG2 GLU 13 2HG GLU 13 1.943 -7.435 -10.172
70 HG3 GLU 13 3HG GLU 13 2.076 -5.810 -9.499
71 H PHE 14 H PHE 14 2.664 -7.331 -5.361
72 HA PHE 14 HA PHE 14 1.397 -9.526 -3.934
73 HB2 PHE 14 2HB PHE 14 3.429 -10.294 -5.467
74 HB3 PHE 14 3HB PHE 14 4.374 -9.710 -4.103
75 HD1 PHE 14 HD1 PHE 14 1.933 -12.196 -5.227
76 HD2 PHE 14 HD2 PHE 14 4.370 -10.864 -2.005
77 HE1 PHE 14 HE1 PHE 14 1.544 -14.329 -4.053
78 HE2 PHE 14 HE2 PHE 14 3.989 -12.990 -0.826
79 HZ PHE 14 HZ PHE 14 2.574 -14.726 -1.848
80 H ASN 15 H ASN 15 2.564 -6.475 -3.820
81 HA ASN 15 HA ASN 15 3.276 -6.715 -0.972
82 HB2 ASN 15 2HB ASN 15 5.108 -6.000 -2.681
83 HB3 ASN 15 3HB ASN 15 4.284 -4.445 -2.662
84 HD21 ASN 15 1HD2 ASN 15 4.300 -3.207 -0.784
85 HD22 ASN 15 2HD2 ASN 15 5.419 -3.503 0.499
86 HA PRO 16 HA PRO 16 -0.301 -3.760 -1.101
87 HB2 PRO 16 2HB PRO 16 -2.133 -5.499 0.116
88 HB3 PRO 16 3HB PRO 16 -2.009 -5.192 -1.623
89 HG2 PRO 16 2HG PRO 16 -1.480 -7.622 -0.300
90 HG3 PRO 16 3HG PRO 16 -1.156 -7.234 -1.998
91 HD2 PRO 16 2HD PRO 16 0.704 -7.234 0.322
92 HD3 PRO 16 3HD PRO 16 1.027 -7.579 -1.391
93 H CYS 17 H CYS 17 -1.630 -2.925 0.813
94 HA CYS 17 HA CYS 17 0.022 -2.965 3.201
95 HB2 CYS 17 2HB CYS 17 -2.571 -1.447 2.859
96 HB3 CYS 17 3HB CYS 17 -1.257 -1.106 3.975
97 H CYS 18 H CYS 18 -0.222 -4.685 4.491
98 HA CYS 18 HA CYS 18 -2.730 -6.060 4.788
99 HB2 CYS 18 2HB CYS 18 -0.147 -6.495 6.293
100 HB3 CYS 18 3HB CYS 18 -1.534 -7.576 6.276
101 HA PRO 19 HA PRO 19 -2.492 -4.147 9.286
102 HB2 PRO 19 2HB PRO 19 -1.052 -1.605 8.895
103 HB3 PRO 19 3HB PRO 19 -0.789 -2.855 10.118
104 HG2 PRO 19 2HG PRO 19 0.979 -2.426 8.174
105 HG3 PRO 19 3HG PRO 19 0.643 -4.058 8.793
106 HD2 PRO 19 2HD PRO 19 -0.387 -2.744 6.306
107 HD3 PRO 19 3HD PRO 19 0.263 -4.381 6.525
108 HA PRO 20 HA PRO 20 -5.888 -1.296 8.577
109 HB2 PRO 20 2HB PRO 20 -5.058 0.670 10.633
110 HB3 PRO 20 3HB PRO 20 -6.520 -0.328 10.554
111 HG2 PRO 20 2HG PRO 20 -4.623 -0.854 12.321
112 HG3 PRO 20 3HG PRO 20 -5.491 -2.164 11.490
113 HD2 PRO 20 2HD PRO 20 -2.766 -1.053 10.918
114 HD3 PRO 20 3HD PRO 20 -3.295 -2.748 11.003
115 H LEU 21 H LEU 21 -4.036 -0.773 6.689
116 HA LEU 21 HA LEU 21 -4.310 2.123 6.267
117 HB2 LEU 21 2HB LEU 21 -1.843 0.487 5.642
118 HB3 LEU 21 3HB LEU 21 -2.115 2.121 5.085
119 HG LEU 21 HG LEU 21 -0.636 2.377 6.856
120 HD11 LEU 21 1HD1 LEU 21 -3.298 2.748 8.207
121 HD12 LEU 21 2HD1 LEU 21 -2.543 3.898 7.104
122 HD13 LEU 21 3HD1 LEU 21 -1.771 3.514 8.642
123 HD21 LEU 21 3HD2 LEU 21 -2.218 0.291 8.317
124 HD22 LEU 21 1HD2 LEU 21 -0.974 1.281 9.085
125 HD23 LEU 21 2HD2 LEU 21 -0.549 0.211 7.750
126 H THR 22 H THR 22 -4.337 2.757 4.037
127 HA THR 22 HA THR 22 -5.299 0.615 2.265
128 HB THR 22 HB THR 22 -7.103 2.127 2.767
129 HG1 THR 22 HG1 THR 22 -6.053 1.989 0.226
130 HG21 THR 22 3HG2 THR 22 -7.059 4.507 2.260
131 HG22 THR 22 1HG2 THR 22 -5.370 4.379 1.763
132 HG23 THR 22 2HG2 THR 22 -5.818 4.097 3.443
133 H CYS 23 H CYS 23 -4.915 0.934 -0.060
134 HA CYS 23 HA CYS 23 -2.231 2.019 -0.500
135 HB2 CYS 23 2HB CYS 23 -2.946 -0.405 -1.062
136 HB3 CYS 23 3HB CYS 23 -3.747 0.314 -2.453
137 H ILE 24 H ILE 24 -2.301 4.096 -1.066
138 HA ILE 24 HA ILE 24 -3.995 4.866 -3.337
139 HB ILE 24 HB ILE 24 -3.377 6.763 -1.060
140 HG12 ILE 24 2HG1 ILE 24 -6.029 5.398 -1.537
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.809 -0.389
142 HG21 ILE 24 1HG2 ILE 24 -5.085 8.175 -2.074
143 HG22 ILE 24 2HG2 ILE 24 -5.383 6.957 -3.314
144 HG23 ILE 24 3HG2 ILE 24 -3.830 7.791 -3.252
145 HD11 ILE 24 3HD1 ILE 24 -5.014 6.946 0.829
146 HD12 ILE 24 1HD1 ILE 24 -6.550 6.085 0.748
147 HD13 ILE 24 2HD1 ILE 24 -6.257 7.468 -0.304
148 HA PRO 25 HA PRO 25 -4.072 6.187 -5.073
149 HB2 PRO 25 2HB PRO 25 -3.043 5.788 -7.580
150 HB3 PRO 25 3HB PRO 25 -3.137 7.383 -6.809
151 HG2 PRO 25 2HG PRO 25 -0.808 5.531 -7.023
152 HG3 PRO 25 3HG PRO 25 -0.872 7.290 -7.243
153 HD2 PRO 25 2HD PRO 25 0.027 6.182 -4.962
154 HD3 PRO 25 3HD PRO 25 -0.859 7.715 -4.973
155 H GLY 26 H GLY 26 -1.482 3.887 -6.074
156 HA2 GLY 26 2HA GLY 26 -1.526 1.557 -5.982
157 HA3 GLY 26 3HA GLY 26 -3.196 1.630 -5.446
158 H ASP 27 H ASP 27 -1.948 3.205 -8.345
159 HA ASP 27 HA ASP 27 -3.197 1.165 -10.036
160 HB2 ASP 27 2HB ASP 27 -3.916 4.097 -10.077
161 HB3 ASP 27 3HB ASP 27 -4.272 3.004 -11.411
162 HA PRO 28 HA PRO 28 -1.772 -0.260 -10.367
163 HB2 PRO 28 2HB PRO 28 0.949 -1.082 -10.749
164 HB3 PRO 28 3HB PRO 28 -0.467 -1.537 -11.710
165 HG2 PRO 28 2HG PRO 28 1.623 -0.018 -12.640
166 HG3 PRO 28 3HG PRO 28 -0.011 -0.024 -13.328
167 HD2 PRO 28 2HD PRO 28 1.245 1.952 -11.473
168 HD3 PRO 28 3HD PRO 28 0.143 2.224 -12.839
169 H TYR 29 H TYR 29 1.100 1.648 -9.577
170 HA TYR 29 HA TYR 29 1.470 0.316 -7.016
171 HB2 TYR 29 2HB TYR 29 2.975 2.599 -8.309
172 HB3 TYR 29 3HB TYR 29 3.414 1.850 -6.781
173 HD1 TYR 29 HD2 TYR 29 3.176 1.297 -10.427
174 HD2 TYR 29 HD1 TYR 29 4.595 -0.222 -6.715
175 HE1 TYR 29 HE2 TYR 29 4.524 -0.368 -11.632
176 HE2 TYR 29 HE1 TYR 29 5.949 -1.890 -7.909
177 HH TYR 29 HH TYR 29 6.528 -1.740 -11.250
178 H GLY 30 H GLY 30 1.498 1.436 -5.006
179 HA2 GLY 30 2HA GLY 30 0.245 4.057 -4.895
180 HA3 GLY 30 3HA GLY 30 -0.660 2.739 -4.184
181 H ILE 31 H ILE 31 -0.444 4.170 -2.269
182 HA ILE 31 HA ILE 31 1.979 3.460 -0.745
183 HB ILE 31 HB ILE 31 0.607 6.126 -0.398
184 HG12 ILE 31 2HG1 ILE 31 1.485 6.143 -2.688
185 HG13 ILE 31 3HG1 ILE 31 2.389 7.245 -1.666
186 HG21 ILE 31 1HG2 ILE 31 2.690 6.792 0.731
187 HG22 ILE 31 2HG2 ILE 31 3.315 5.161 0.498
188 HG23 ILE 31 3HG2 ILE 31 1.896 5.423 1.510
189 HD11 ILE 31 3HD1 ILE 31 4.195 5.546 -1.517
190 HD12 ILE 31 1HD1 ILE 31 3.893 6.118 -3.158
191 HD13 ILE 31 2HD1 ILE 31 3.290 4.541 -2.650
192 H CYS 32 H CYS 32 1.619 3.311 1.564
193 HA CYS 32 HA CYS 32 -1.075 2.429 2.219
194 HB2 CYS 32 2HB CYS 32 1.504 2.312 3.795
195 HB3 CYS 32 3HB CYS 32 -0.024 1.644 4.346
196 H TYR 33 H TYR 33 -2.396 4.156 2.527
197 HA TYR 33 HA TYR 33 -1.527 6.250 4.409
198 HB2 TYR 33 2HB TYR 33 -3.421 6.180 2.107
199 HB3 TYR 33 3HB TYR 33 -3.739 7.319 3.409
200 HD1 TYR 33 HD2 TYR 33 -1.944 9.017 3.987
201 HD2 TYR 33 HD1 TYR 33 -1.789 6.646 0.452
202 HE1 TYR 33 HE2 TYR 33 -0.355 10.606 2.993
203 HE2 TYR 33 HE1 TYR 33 -0.206 8.232 -0.547
204 HH TYR 33 HH TYR 33 1.378 10.634 1.251
205 H ILE 34 H ILE 34 -3.034 7.030 5.996
206 HA ILE 34 HA ILE 34 -4.664 4.882 7.106
207 HB ILE 34 HB ILE 34 -2.971 6.034 8.535
208 HG12 ILE 34 2HG1 ILE 34 -5.615 6.610 9.802
209 HG13 ILE 34 3HG1 ILE 34 -5.278 4.962 9.293
210 HG21 ILE 34 1HG2 ILE 34 -4.817 8.415 8.354
211 HG22 ILE 34 2HG2 ILE 34 -3.172 8.310 7.727
212 HG23 ILE 34 3HG2 ILE 34 -3.458 8.256 9.467
213 HD11 ILE 34 3HD1 ILE 34 -3.624 6.586 11.217
214 HD12 ILE 34 1HD1 ILE 34 -3.285 4.933 10.705
215 HD13 ILE 34 2HD1 ILE 34 -4.741 5.285 11.637
216 H ILE 35 H ILE 35 -6.823 4.896 7.242
217 HA ILE 35 HA ILE 35 -8.275 7.340 6.497
218 HB ILE 35 HB ILE 35 -9.997 5.809 5.374
219 HG12 ILE 35 2HG1 ILE 35 -8.428 3.868 4.239
220 HG13 ILE 35 3HG1 ILE 35 -7.836 3.867 5.897
221 HG21 ILE 35 1HG2 ILE 35 -8.627 7.390 4.161
222 HG22 ILE 35 2HG2 ILE 35 -8.809 5.901 3.234
223 HG23 ILE 35 3HG2 ILE 35 -7.303 6.225 4.093
224 HD11 ILE 35 3HD1 ILE 35 -9.598 2.230 5.583
225 HD12 ILE 35 1HD1 ILE 35 -10.698 3.500 5.047
226 HD13 ILE 35 2HD1 ILE 35 -10.104 3.492 6.707
Start of MODEL 6
1 H1 PCA 1 H1 PCA 1 6.144 -13.782 5.942
2 HA PCA 1 HA PCA 1 6.784 -12.887 3.521
3 HB2 PCA 1 3HB PCA 1 4.633 -13.109 2.529
4 HB3 PCA 1 2HB PCA 1 4.360 -11.462 3.221
5 HG2 PCA 1 3HG PCA 1 2.861 -13.129 4.222
6 HG3 PCA 1 2HG PCA 1 3.469 -14.288 3.023
7 H ASP 2 H ASP 2 7.038 -10.535 3.267
8 HA ASP 2 HA ASP 2 6.881 -9.098 5.827
9 HB2 ASP 2 2HB ASP 2 8.899 -8.893 3.585
10 HB3 ASP 2 3HB ASP 2 8.779 -7.700 4.874
11 H CYS 3 H CYS 3 4.956 -8.120 5.629
12 HA CYS 3 HA CYS 3 4.225 -6.650 3.246
13 HB2 CYS 3 2HB CYS 3 2.122 -6.184 4.483
14 HB3 CYS 3 3HB CYS 3 2.485 -7.902 4.358
15 HA PRO 4 HA PRO 4 5.704 -2.655 4.547
16 HB2 PRO 4 2HB PRO 4 3.964 -1.035 3.221
17 HB3 PRO 4 3HB PRO 4 5.232 -1.957 2.389
18 HG2 PRO 4 2HG PRO 4 2.338 -2.611 2.713
19 HG3 PRO 4 3HG PRO 4 3.343 -2.697 1.257
20 HD2 PRO 4 2HD PRO 4 2.789 -4.890 2.697
21 HD3 PRO 4 3HD PRO 4 4.364 -4.663 1.913
22 H GLY 5 H GLY 5 5.053 -0.609 5.582
23 HA2 GLY 5 2HA GLY 5 2.754 -0.974 7.402
24 HA3 GLY 5 3HA GLY 5 4.225 -0.107 7.823
25 H GLU 6 H GLU 6 2.847 1.694 8.417
26 HA GLU 6 HA GLU 6 1.287 3.031 6.396
27 HB2 GLU 6 2HB GLU 6 0.762 3.040 8.864
28 HB3 GLU 6 3HB GLU 6 2.142 4.103 9.093
29 HG2 GLU 6 2HG GLU 6 1.080 5.786 7.668
30 HG3 GLU 6 3HG GLU 6 -0.304 4.721 7.437
31 H GLY 7 H GLY 7 2.010 4.369 4.902
32 HA2 GLY 7 2HA GLY 7 3.169 6.252 4.087
33 HA3 GLY 7 3HA GLY 7 4.262 6.153 5.456
34 H GLU 8 H GLU 8 3.467 3.435 3.376
35 HA GLU 8 HA GLU 8 6.137 3.579 2.146
36 HB2 GLU 8 2HB GLU 8 5.687 1.854 4.129
37 HB3 GLU 8 3HB GLU 8 5.001 0.906 2.819
38 HG2 GLU 8 2HG GLU 8 7.117 1.026 1.612
39 HG3 GLU 8 3HG GLU 8 7.807 1.992 2.915
40 H GLN 9 H GLN 9 6.295 2.075 0.207
41 HA GLN 9 HA GLN 9 4.059 2.594 -1.536
42 HB2 GLN 9 2HB GLN 9 6.558 2.764 -2.115
43 HB3 GLN 9 3HB GLN 9 6.520 1.013 -2.254
44 HG2 GLN 9 2HG GLN 9 4.772 1.215 -3.981
45 HG3 GLN 9 3HG GLN 9 4.897 2.971 -3.871
46 HE21 GLN 9 1HE2 GLN 9 6.456 0.042 -4.904
47 HE22 GLN 9 2HE2 GLN 9 7.663 0.789 -5.889
48 H CYS 10 H CYS 10 2.530 1.255 -2.183
49 HA CYS 10 HA CYS 10 2.788 -1.623 -1.615
50 HB2 CYS 10 2HB CYS 10 0.244 -1.558 -1.350
51 HB3 CYS 10 3HB CYS 10 1.190 -0.849 -0.045
52 H ASP 11 H ASP 11 2.659 -2.873 -3.364
53 HA ASP 11 HA ASP 11 1.577 -1.690 -5.823
54 HB2 ASP 11 2HB ASP 11 2.845 -3.512 -7.011
55 HB3 ASP 11 3HB ASP 11 3.844 -2.349 -6.156
56 H VAL 12 H VAL 12 0.357 -3.001 -7.293
57 HA VAL 12 HA VAL 12 -1.622 -4.598 -5.903
58 HB VAL 12 HB VAL 12 -2.782 -4.621 -8.172
59 HG11 VAL 12 1HG1 VAL 12 -2.200 -1.972 -6.862
60 HG12 VAL 12 2HG1 VAL 12 -3.461 -3.118 -6.410
61 HG13 VAL 12 3HG1 VAL 12 -3.538 -2.290 -7.966
62 HG21 VAL 12 3HG2 VAL 12 -0.860 -4.168 -9.612
63 HG22 VAL 12 1HG2 VAL 12 -0.648 -2.589 -8.852
64 HG23 VAL 12 2HG2 VAL 12 -2.093 -2.922 -9.807
65 H GLU 13 H GLU 13 1.222 -5.564 -6.680
66 HA GLU 13 HA GLU 13 0.503 -7.917 -8.267
67 HB2 GLU 13 2HB GLU 13 3.158 -6.686 -7.555
68 HB3 GLU 13 3HB GLU 13 3.034 -8.295 -8.252
69 HG2 GLU 13 2HG GLU 13 1.919 -7.360 -10.215
70 HG3 GLU 13 3HG GLU 13 2.041 -5.747 -9.515
71 H PHE 14 H PHE 14 2.617 -7.346 -5.402
72 HA PHE 14 HA PHE 14 1.342 -9.565 -4.018
73 HB2 PHE 14 2HB PHE 14 3.371 -10.310 -5.568
74 HB3 PHE 14 3HB PHE 14 4.317 -9.758 -4.191
75 HD1 PHE 14 HD2 PHE 14 1.875 -12.214 -5.371
76 HD2 PHE 14 HD1 PHE 14 4.303 -10.954 -2.112
77 HE1 PHE 14 HE2 PHE 14 1.481 -14.372 -4.245
78 HE2 PHE 14 HE1 PHE 14 3.915 -13.104 -0.982
79 HZ PHE 14 HZ PHE 14 2.502 -14.816 -2.046
80 H ASN 15 H ASN 15 2.577 -6.523 -3.858
81 HA ASN 15 HA ASN 15 3.299 -6.829 -1.019
82 HB2 ASN 15 2HB ASN 15 5.095 -6.050 -2.742
83 HB3 ASN 15 3HB ASN 15 4.262 -4.503 -2.655
84 HD21 ASN 15 1HD2 ASN 15 4.308 -3.328 -0.738
85 HD22 ASN 15 2HD2 ASN 15 5.452 -3.660 0.514
86 HA PRO 16 HA PRO 16 -0.299 -3.915 -0.970
87 HB2 PRO 16 2HB PRO 16 -2.029 -5.674 0.358
88 HB3 PRO 16 3HB PRO 16 -1.997 -5.392 -1.389
89 HG2 PRO 16 2HG PRO 16 -1.347 -7.789 -0.054
90 HG3 PRO 16 3HG PRO 16 -1.125 -7.424 -1.774
91 HD2 PRO 16 2HD PRO 16 0.859 -7.347 0.439
92 HD3 PRO 16 3HD PRO 16 1.096 -7.708 -1.286
93 H CYS 17 H CYS 17 -1.533 -3.076 0.994
94 HA CYS 17 HA CYS 17 0.241 -2.989 3.280
95 HB2 CYS 17 2HB CYS 17 -2.476 -1.678 3.063
96 HB3 CYS 17 3HB CYS 17 -1.140 -1.215 4.107
97 H CYS 18 H CYS 18 0.137 -4.358 4.944
98 HA CYS 18 HA CYS 18 -2.150 -6.100 5.264
99 HB2 CYS 18 2HB CYS 18 -0.780 -7.257 6.966
100 HB3 CYS 18 3HB CYS 18 0.016 -7.130 5.405
101 HA PRO 19 HA PRO 19 -2.495 -3.837 9.495
102 HB2 PRO 19 2HB PRO 19 -1.303 -1.214 9.361
103 HB3 PRO 19 3HB PRO 19 -0.808 -2.577 10.371
104 HG2 PRO 19 2HG PRO 19 0.703 -1.547 8.339
105 HG3 PRO 19 3HG PRO 19 0.837 -3.207 8.954
106 HD2 PRO 19 2HD PRO 19 -0.584 -2.207 6.522
107 HD3 PRO 19 3HD PRO 19 0.393 -3.676 6.737
108 HA PRO 20 HA PRO 20 -6.014 -1.258 8.431
109 HB2 PRO 20 2HB PRO 20 -5.505 0.781 10.521
110 HB3 PRO 20 3HB PRO 20 -6.887 -0.313 10.325
111 HG2 PRO 20 2HG PRO 20 -5.130 -0.696 12.266
112 HG3 PRO 20 3HG PRO 20 -5.833 -2.066 11.382
113 HD2 PRO 20 2HD PRO 20 -3.142 -0.795 11.047
114 HD3 PRO 20 3HD PRO 20 -3.573 -2.518 11.101
115 H LEU 21 H LEU 21 -4.270 -0.672 6.614
116 HA LEU 21 HA LEU 21 -4.494 2.228 6.198
117 HB2 LEU 21 2HB LEU 21 -2.048 0.555 5.595
118 HB3 LEU 21 3HB LEU 21 -2.290 2.186 5.020
119 HG LEU 21 HG LEU 21 -0.813 2.425 6.798
120 HD11 LEU 21 1HD1 LEU 21 -1.941 3.605 8.568
121 HD12 LEU 21 2HD1 LEU 21 -3.482 2.886 8.106
122 HD13 LEU 21 3HD1 LEU 21 -2.667 4.004 7.011
123 HD21 LEU 21 3HD2 LEU 21 -1.046 1.353 8.982
124 HD22 LEU 21 1HD2 LEU 21 -0.910 0.188 7.665
125 HD23 LEU 21 2HD2 LEU 21 -2.483 0.509 8.399
126 H THR 22 H THR 22 -4.438 2.855 3.950
127 HA THR 22 HA THR 22 -5.434 0.735 2.169
128 HB THR 22 HB THR 22 -7.213 2.286 2.642
129 HG1 THR 22 HG1 THR 22 -6.399 3.152 0.095
130 HG21 THR 22 3HG2 THR 22 -5.897 4.227 3.343
131 HG22 THR 22 1HG2 THR 22 -7.108 4.665 2.139
132 HG23 THR 22 2HG2 THR 22 -5.415 4.500 1.671
133 H CYS 23 H CYS 23 -4.998 1.041 -0.146
134 HA CYS 23 HA CYS 23 -2.286 2.074 -0.537
135 HB2 CYS 23 2HB CYS 23 -3.046 -0.336 -1.114
136 HB3 CYS 23 3HB CYS 23 -3.798 0.403 -2.522
137 H ILE 24 H ILE 24 -2.313 4.156 -1.094
138 HA ILE 24 HA ILE 24 -3.953 4.961 -3.394
139 HB ILE 24 HB ILE 24 -3.324 6.840 -1.105
140 HG12 ILE 24 2HG1 ILE 24 -5.999 5.535 -1.625
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.920 -0.458
142 HG21 ILE 24 1HG2 ILE 24 -3.719 7.888 -3.297
143 HG22 ILE 24 2HG2 ILE 24 -4.988 8.292 -2.141
144 HG23 ILE 24 3HG2 ILE 24 -5.288 7.086 -3.391
145 HD11 ILE 24 3HD1 ILE 24 -6.188 7.616 -0.394
146 HD12 ILE 24 1HD1 ILE 24 -4.990 7.049 0.765
147 HD13 ILE 24 2HD1 ILE 24 -6.548 6.238 0.643
148 HA PRO 25 HA PRO 25 -3.978 6.277 -5.131
149 HB2 PRO 25 2HB PRO 25 -2.923 5.849 -7.623
150 HB3 PRO 25 3HB PRO 25 -2.995 7.448 -6.858
151 HG2 PRO 25 2HG PRO 25 -0.703 5.547 -7.034
152 HG3 PRO 25 3HG PRO 25 -0.727 7.306 -7.261
153 HD2 PRO 25 2HD PRO 25 0.119 6.190 -4.964
154 HD3 PRO 25 3HD PRO 25 -0.738 7.739 -4.991
155 H GLY 26 H GLY 26 -1.422 3.921 -6.084
156 HA2 GLY 26 2HA GLY 26 -1.513 1.594 -5.997
157 HA3 GLY 26 3HA GLY 26 -3.185 1.699 -5.472
158 H ASP 27 H ASP 27 -1.884 3.242 -8.366
159 HA ASP 27 HA ASP 27 -3.167 1.222 -10.059
160 HB2 ASP 27 2HB ASP 27 -3.817 4.170 -10.119
161 HB3 ASP 27 3HB ASP 27 -4.191 3.078 -11.448
162 HA PRO 28 HA PRO 28 -1.762 -0.230 -10.353
163 HB2 PRO 28 2HB PRO 28 0.940 -1.116 -10.712
164 HB3 PRO 28 3HB PRO 28 -0.479 -1.545 -11.681
165 HG2 PRO 28 2HG PRO 28 1.654 -0.079 -12.605
166 HG3 PRO 28 3HG PRO 28 0.028 -0.062 -13.310
167 HD2 PRO 28 2HD PRO 28 1.303 1.911 -11.467
168 HD3 PRO 28 3HD PRO 28 0.215 2.188 -12.842
169 H TYR 29 H TYR 29 1.146 1.626 -9.570
170 HA TYR 29 HA TYR 29 1.489 0.309 -7.000
171 HB2 TYR 29 2HB TYR 29 3.015 2.576 -8.296
172 HB3 TYR 29 3HB TYR 29 3.442 1.833 -6.762
173 HD1 TYR 29 HD1 TYR 29 3.212 1.256 -10.405
174 HD2 TYR 29 HD2 TYR 29 4.616 -0.240 -6.680
175 HE1 TYR 29 HE1 TYR 29 4.555 -0.422 -11.595
176 HE2 TYR 29 HE2 TYR 29 5.967 -1.923 -7.858
177 HH TYR 29 HH TYR 29 6.553 -1.801 -11.197
178 H GLY 30 H GLY 30 1.501 1.423 -4.992
179 HA2 GLY 30 2HA GLY 30 0.287 4.063 -4.891
180 HA3 GLY 30 3HA GLY 30 -0.648 2.758 -4.193
181 H ILE 31 H ILE 31 -0.431 4.192 -2.278
182 HA ILE 31 HA ILE 31 1.958 3.439 -0.721
183 HB ILE 31 HB ILE 31 0.625 6.126 -0.386
184 HG12 ILE 31 2HG1 ILE 31 1.526 6.134 -2.668
185 HG13 ILE 31 3HG1 ILE 31 2.438 7.219 -1.635
186 HG21 ILE 31 1HG2 ILE 31 3.312 5.117 0.531
187 HG22 ILE 31 2HG2 ILE 31 1.887 5.395 1.532
188 HG23 ILE 31 3HG2 ILE 31 2.705 6.757 0.766
189 HD11 ILE 31 3HD1 ILE 31 4.212 5.482 -1.472
190 HD12 ILE 31 1HD1 ILE 31 3.941 6.074 -3.112
191 HD13 ILE 31 2HD1 ILE 31 3.303 4.505 -2.625
192 H CYS 32 H CYS 32 1.561 3.283 1.582
193 HA CYS 32 HA CYS 32 -1.160 2.454 2.187
194 HB2 CYS 32 2HB CYS 32 1.360 2.300 3.856
195 HB3 CYS 32 3HB CYS 32 -0.189 1.602 4.302
196 H TYR 33 H TYR 33 -2.456 4.200 2.493
197 HA TYR 33 HA TYR 33 -1.574 6.259 4.408
198 HB2 TYR 33 2HB TYR 33 -3.418 6.260 2.064
199 HB3 TYR 33 3HB TYR 33 -3.725 7.402 3.366
200 HD1 TYR 33 HD1 TYR 33 -1.845 9.003 4.018
201 HD2 TYR 33 HD2 TYR 33 -1.780 6.718 0.424
202 HE1 TYR 33 HE1 TYR 33 -0.188 10.550 3.065
203 HE2 TYR 33 HE2 TYR 33 -0.128 8.260 -0.532
204 HH TYR 33 HH TYR 33 1.550 10.547 1.328
205 H ILE 34 H ILE 34 -3.088 7.061 5.972
206 HA ILE 34 HA ILE 34 -4.807 4.951 7.018
207 HB ILE 34 HB ILE 34 -3.113 6.033 8.499
208 HG12 ILE 34 2HG1 ILE 34 -5.766 6.673 9.714
209 HG13 ILE 34 3HG1 ILE 34 -5.467 5.024 9.192
210 HG21 ILE 34 1HG2 ILE 34 -3.226 8.325 7.715
211 HG22 ILE 34 2HG2 ILE 34 -3.553 8.259 9.447
212 HG23 ILE 34 3HG2 ILE 34 -4.881 8.472 8.307
213 HD11 ILE 34 3HD1 ILE 34 -3.810 6.573 11.172
214 HD12 ILE 34 1HD1 ILE 34 -3.507 4.916 10.647
215 HD13 ILE 34 2HD1 ILE 34 -4.972 5.302 11.551
216 H ILE 35 H ILE 35 -6.965 5.025 7.099
217 HA ILE 35 HA ILE 35 -8.327 7.520 6.345
218 HB ILE 35 HB ILE 35 -10.073 6.045 5.185
219 HG12 ILE 35 2HG1 ILE 35 -8.542 4.061 4.073
220 HG13 ILE 35 3HG1 ILE 35 -7.983 4.036 5.742
221 HG21 ILE 35 1HG2 ILE 35 -7.346 6.387 3.958
222 HG22 ILE 35 2HG2 ILE 35 -8.637 7.587 4.002
223 HG23 ILE 35 3HG2 ILE 35 -8.841 6.105 3.067
224 HD11 ILE 35 3HD1 ILE 35 -10.838 3.757 4.831
225 HD12 ILE 35 1HD1 ILE 35 -10.280 3.731 6.504
226 HD13 ILE 35 2HD1 ILE 35 -9.788 2.456 5.390
Start of MODEL 7
1 H1 PCA 1 H1 PCA 1 6.432 -14.300 5.413
2 HA PCA 1 HA PCA 1 6.777 -12.893 3.535
3 HB2 PCA 1 3HB PCA 1 4.630 -13.110 2.534
4 HB3 PCA 1 2HB PCA 1 4.358 -11.462 3.223
5 HG2 PCA 1 3HG PCA 1 2.850 -13.124 4.219
6 HG3 PCA 1 2HG PCA 1 3.463 -14.287 3.025
7 H ASP 2 H ASP 2 7.034 -10.540 3.277
8 HA ASP 2 HA ASP 2 6.874 -9.100 5.835
9 HB2 ASP 2 2HB ASP 2 8.895 -8.899 3.596
10 HB3 ASP 2 3HB ASP 2 8.774 -7.704 4.884
11 H CYS 3 H CYS 3 4.949 -8.121 5.635
12 HA CYS 3 HA CYS 3 4.223 -6.653 3.249
13 HB2 CYS 3 2HB CYS 3 2.119 -6.183 4.484
14 HB3 CYS 3 3HB CYS 3 2.480 -7.902 4.359
15 HA PRO 4 HA PRO 4 5.703 -2.658 4.550
16 HB2 PRO 4 2HB PRO 4 3.964 -1.038 3.223
17 HB3 PRO 4 3HB PRO 4 5.232 -1.960 2.391
18 HG2 PRO 4 2HG PRO 4 2.338 -2.612 2.714
19 HG3 PRO 4 3HG PRO 4 3.344 -2.699 1.260
20 HD2 PRO 4 2HD PRO 4 2.788 -4.891 2.699
21 HD3 PRO 4 3HD PRO 4 4.363 -4.666 1.916
22 H GLY 5 H GLY 5 5.054 -0.612 5.584
23 HA2 GLY 5 2HA GLY 5 2.753 -0.975 7.404
24 HA3 GLY 5 3HA GLY 5 4.225 -0.109 7.824
25 H GLU 6 H GLU 6 2.849 1.695 8.417
26 HA GLU 6 HA GLU 6 1.288 3.031 6.397
27 HB2 GLU 6 2HB GLU 6 0.764 3.041 8.864
28 HB3 GLU 6 3HB GLU 6 2.142 4.104 9.093
29 HG2 GLU 6 2HG GLU 6 1.082 5.786 7.666
30 HG3 GLU 6 3HG GLU 6 -0.303 4.720 7.436
31 H GLY 7 H GLY 7 2.012 4.368 4.903
32 HA2 GLY 7 2HA GLY 7 3.170 6.251 4.086
33 HA3 GLY 7 3HA GLY 7 4.263 6.151 5.456
34 H GLU 8 H GLU 8 3.469 3.434 3.377
35 HA GLU 8 HA GLU 8 6.137 3.577 2.145
36 HB2 GLU 8 2HB GLU 8 5.685 1.852 4.129
37 HB3 GLU 8 3HB GLU 8 5.001 0.904 2.817
38 HG2 GLU 8 2HG GLU 8 7.117 1.024 1.613
39 HG3 GLU 8 3HG GLU 8 7.807 1.992 2.916
40 H GLN 9 H GLN 9 6.294 2.074 0.206
41 HA GLN 9 HA GLN 9 4.057 2.594 -1.535
42 HB2 GLN 9 2HB GLN 9 6.557 2.763 -2.117
43 HB3 GLN 9 3HB GLN 9 6.518 1.012 -2.256
44 HG2 GLN 9 2HG GLN 9 4.770 1.213 -3.981
45 HG3 GLN 9 3HG GLN 9 4.895 2.970 -3.872
46 HE21 GLN 9 1HE2 GLN 9 6.455 0.042 -4.905
47 HE22 GLN 9 2HE2 GLN 9 7.660 0.790 -5.891
48 H CYS 10 H CYS 10 2.530 1.255 -2.183
49 HA CYS 10 HA CYS 10 2.786 -1.623 -1.615
50 HB2 CYS 10 2HB CYS 10 0.242 -1.558 -1.349
51 HB3 CYS 10 3HB CYS 10 1.189 -0.848 -0.045
52 H ASP 11 H ASP 11 2.660 -2.872 -3.364
53 HA ASP 11 HA ASP 11 1.576 -1.689 -5.823
54 HB2 ASP 11 2HB ASP 11 2.846 -3.511 -7.012
55 HB3 ASP 11 3HB ASP 11 3.843 -2.345 -6.157
56 H VAL 12 H VAL 12 0.356 -3.000 -7.293
57 HA VAL 12 HA VAL 12 -1.619 -4.601 -5.902
58 HB VAL 12 HB VAL 12 -2.780 -4.625 -8.172
59 HG11 VAL 12 1HG1 VAL 12 -3.460 -3.123 -6.408
60 HG12 VAL 12 2HG1 VAL 12 -3.541 -2.296 -7.963
61 HG13 VAL 12 3HG1 VAL 12 -2.202 -1.975 -6.861
62 HG21 VAL 12 3HG2 VAL 12 -0.650 -2.589 -8.852
63 HG22 VAL 12 1HG2 VAL 12 -2.095 -2.924 -9.807
64 HG23 VAL 12 2HG2 VAL 12 -0.860 -4.167 -9.611
65 H GLU 13 H GLU 13 1.225 -5.563 -6.681
66 HA GLU 13 HA GLU 13 0.508 -7.916 -8.268
67 HB2 GLU 13 2HB GLU 13 3.162 -6.684 -7.555
68 HB3 GLU 13 3HB GLU 13 3.039 -8.292 -8.254
69 HG2 GLU 13 2HG GLU 13 1.922 -7.354 -10.216
70 HG3 GLU 13 3HG GLU 13 2.046 -5.742 -9.513
71 H PHE 14 H PHE 14 2.620 -7.344 -5.404
72 HA PHE 14 HA PHE 14 1.349 -9.564 -4.020
73 HB2 PHE 14 2HB PHE 14 3.378 -10.306 -5.569
74 HB3 PHE 14 3HB PHE 14 4.324 -9.754 -4.192
75 HD1 PHE 14 HD2 PHE 14 1.884 -12.213 -5.374
76 HD2 PHE 14 HD1 PHE 14 4.309 -10.950 -2.114
77 HE1 PHE 14 HE2 PHE 14 1.492 -14.371 -4.249
78 HE2 PHE 14 HE1 PHE 14 3.924 -13.101 -0.984
79 HZ PHE 14 HZ PHE 14 2.513 -14.814 -2.049
80 H ASN 15 H ASN 15 2.579 -6.520 -3.859
81 HA ASN 15 HA ASN 15 3.302 -6.825 -1.019
82 HB2 ASN 15 2HB ASN 15 5.098 -6.047 -2.743
83 HB3 ASN 15 3HB ASN 15 4.264 -4.500 -2.655
84 HD21 ASN 15 1HD2 ASN 15 4.312 -3.326 -0.738
85 HD22 ASN 15 2HD2 ASN 15 5.455 -3.658 0.513
86 HA PRO 16 HA PRO 16 -0.296 -3.913 -0.972
87 HB2 PRO 16 2HB PRO 16 -2.026 -5.673 0.353
88 HB3 PRO 16 3HB PRO 16 -1.995 -5.388 -1.393
89 HG2 PRO 16 2HG PRO 16 -1.346 -7.788 -0.062
90 HG3 PRO 16 3HG PRO 16 -1.121 -7.420 -1.781
91 HD2 PRO 16 2HD PRO 16 0.860 -7.346 0.435
92 HD3 PRO 16 3HD PRO 16 1.098 -7.705 -1.289
93 H CYS 17 H CYS 17 -1.532 -3.075 0.991
94 HA CYS 17 HA CYS 17 0.240 -2.989 3.278
95 HB2 CYS 17 2HB CYS 17 -2.477 -1.677 3.058
96 HB3 CYS 17 3HB CYS 17 -1.141 -1.215 4.106
97 H CYS 18 H CYS 18 0.135 -4.358 4.943
98 HA CYS 18 HA CYS 18 -2.155 -6.099 5.260
99 HB2 CYS 18 2HB CYS 18 -0.788 -7.260 6.960
100 HB3 CYS 18 3HB CYS 18 0.012 -7.128 5.400
101 HA PRO 19 HA PRO 19 -2.496 -3.837 9.494
102 HB2 PRO 19 2HB PRO 19 -1.304 -1.215 9.359
103 HB3 PRO 19 3HB PRO 19 -0.809 -2.579 10.368
104 HG2 PRO 19 2HG PRO 19 0.703 -1.550 8.338
105 HG3 PRO 19 3HG PRO 19 0.836 -3.209 8.952
106 HD2 PRO 19 2HD PRO 19 -0.586 -2.208 6.520
107 HD3 PRO 19 3HD PRO 19 0.391 -3.678 6.735
108 HA PRO 20 HA PRO 20 -6.014 -1.256 8.432
109 HB2 PRO 20 2HB PRO 20 -5.503 0.783 10.523
110 HB3 PRO 20 3HB PRO 20 -6.887 -0.310 10.327
111 HG2 PRO 20 2HG PRO 20 -5.128 -0.694 12.267
112 HG3 PRO 20 3HG PRO 20 -5.833 -2.064 11.383
113 HD2 PRO 20 2HD PRO 20 -3.139 -0.794 11.045
114 HD3 PRO 20 3HD PRO 20 -3.572 -2.517 11.101
115 H LEU 21 H LEU 21 -4.268 -0.670 6.615
116 HA LEU 21 HA LEU 21 -4.492 2.230 6.199
117 HB2 LEU 21 2HB LEU 21 -2.047 0.556 5.595
118 HB3 LEU 21 3HB LEU 21 -2.288 2.187 5.022
119 HG LEU 21 HG LEU 21 -0.812 2.426 6.799
120 HD11 LEU 21 1HD1 LEU 21 -1.939 3.605 8.570
121 HD12 LEU 21 2HD1 LEU 21 -3.480 2.886 8.107
122 HD13 LEU 21 3HD1 LEU 21 -2.665 4.005 7.013
123 HD21 LEU 21 3HD2 LEU 21 -2.481 0.509 8.399
124 HD22 LEU 21 1HD2 LEU 21 -1.045 1.353 8.982
125 HD23 LEU 21 2HD2 LEU 21 -0.908 0.188 7.666
126 H THR 22 H THR 22 -4.438 2.857 3.951
127 HA THR 22 HA THR 22 -5.435 0.737 2.172
128 HB THR 22 HB THR 22 -7.212 2.288 2.642
129 HG1 THR 22 HG1 THR 22 -6.439 3.185 0.105
130 HG21 THR 22 3HG2 THR 22 -7.107 4.668 2.141
131 HG22 THR 22 1HG2 THR 22 -5.415 4.502 1.672
132 HG23 THR 22 2HG2 THR 22 -5.897 4.228 3.344
133 H CYS 23 H CYS 23 -4.999 1.042 -0.145
134 HA CYS 23 HA CYS 23 -2.287 2.074 -0.537
135 HB2 CYS 23 2HB CYS 23 -3.049 -0.335 -1.114
136 HB3 CYS 23 3HB CYS 23 -3.800 0.404 -2.522
137 H ILE 24 H ILE 24 -2.313 4.156 -1.094
138 HA ILE 24 HA ILE 24 -3.953 4.962 -3.393
139 HB ILE 24 HB ILE 24 -3.323 6.841 -1.106
140 HG12 ILE 24 2HG1 ILE 24 -5.999 5.536 -1.624
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.922 -0.458
142 HG21 ILE 24 1HG2 ILE 24 -5.288 7.086 -3.391
143 HG22 ILE 24 2HG2 ILE 24 -3.719 7.888 -3.297
144 HG23 ILE 24 3HG2 ILE 24 -4.987 8.293 -2.140
145 HD11 ILE 24 3HD1 ILE 24 -4.987 7.051 0.764
146 HD12 ILE 24 1HD1 ILE 24 -6.546 6.239 0.644
147 HD13 ILE 24 2HD1 ILE 24 -6.188 7.616 -0.393
148 HA PRO 25 HA PRO 25 -3.978 6.277 -5.132
149 HB2 PRO 25 2HB PRO 25 -2.924 5.847 -7.623
150 HB3 PRO 25 3HB PRO 25 -2.995 7.447 -6.859
151 HG2 PRO 25 2HG PRO 25 -0.703 5.546 -7.034
152 HG3 PRO 25 3HG PRO 25 -0.727 7.305 -7.262
153 HD2 PRO 25 2HD PRO 25 0.118 6.190 -4.965
154 HD3 PRO 25 3HD PRO 25 -0.739 7.738 -4.992
155 H GLY 26 H GLY 26 -1.422 3.920 -6.082
156 HA2 GLY 26 2HA GLY 26 -1.514 1.594 -5.996
157 HA3 GLY 26 3HA GLY 26 -3.185 1.699 -5.468
158 H ASP 27 H ASP 27 -1.887 3.241 -8.365
159 HA ASP 27 HA ASP 27 -3.170 1.220 -10.056
160 HB2 ASP 27 2HB ASP 27 -3.821 4.168 -10.117
161 HB3 ASP 27 3HB ASP 27 -4.196 3.075 -11.444
162 HA PRO 28 HA PRO 28 -1.766 -0.232 -10.351
163 HB2 PRO 28 2HB PRO 28 0.937 -1.116 -10.711
164 HB3 PRO 28 3HB PRO 28 -0.482 -1.546 -11.679
165 HG2 PRO 28 2HG PRO 28 1.648 -0.081 -12.606
166 HG3 PRO 28 3HG PRO 28 0.021 -0.063 -13.308
167 HD2 PRO 28 2HD PRO 28 1.298 1.910 -11.467
168 HD3 PRO 28 3HD PRO 28 0.209 2.185 -12.842
169 H TYR 29 H TYR 29 1.143 1.625 -9.569
170 HA TYR 29 HA TYR 29 1.489 0.309 -7.001
171 HB2 TYR 29 2HB TYR 29 3.013 2.576 -8.297
172 HB3 TYR 29 3HB TYR 29 3.441 1.833 -6.764
173 HD1 TYR 29 HD1 TYR 29 3.207 1.253 -10.407
174 HD2 TYR 29 HD2 TYR 29 4.617 -0.239 -6.682
175 HE1 TYR 29 HE1 TYR 29 4.550 -0.424 -11.597
176 HE2 TYR 29 HE2 TYR 29 5.967 -1.921 -7.861
177 HH TYR 29 HH TYR 29 6.548 -1.802 -11.202
178 H GLY 30 H GLY 30 1.502 1.423 -4.992
179 HA2 GLY 30 2HA GLY 30 0.286 4.062 -4.892
180 HA3 GLY 30 3HA GLY 30 -0.649 2.758 -4.193
181 H ILE 31 H ILE 31 -0.431 4.192 -2.278
182 HA ILE 31 HA ILE 31 1.958 3.439 -0.721
183 HB ILE 31 HB ILE 31 0.626 6.126 -0.387
184 HG12 ILE 31 2HG1 ILE 31 1.527 6.134 -2.668
185 HG13 ILE 31 3HG1 ILE 31 2.439 7.219 -1.635
186 HG21 ILE 31 1HG2 ILE 31 3.313 5.117 0.531
187 HG22 ILE 31 2HG2 ILE 31 1.888 5.395 1.532
188 HG23 ILE 31 3HG2 ILE 31 2.705 6.757 0.767
189 HD11 ILE 31 3HD1 ILE 31 3.303 4.505 -2.625
190 HD12 ILE 31 1HD1 ILE 31 4.212 5.482 -1.472
191 HD13 ILE 31 2HD1 ILE 31 3.942 6.074 -3.111
192 H CYS 32 H CYS 32 1.561 3.283 1.582
193 HA CYS 32 HA CYS 32 -1.160 2.454 2.188
194 HB2 CYS 32 2HB CYS 32 1.361 2.300 3.856
195 HB3 CYS 32 3HB CYS 32 -0.188 1.602 4.302
196 H TYR 33 H TYR 33 -2.455 4.201 2.493
197 HA TYR 33 HA TYR 33 -1.572 6.260 4.407
198 HB2 TYR 33 2HB TYR 33 -3.416 6.261 2.064
199 HB3 TYR 33 3HB TYR 33 -3.722 7.403 3.366
200 HD1 TYR 33 HD1 TYR 33 -1.840 9.004 4.018
201 HD2 TYR 33 HD2 TYR 33 -1.780 6.718 0.424
202 HE1 TYR 33 HE1 TYR 33 -0.183 10.550 3.064
203 HE2 TYR 33 HE2 TYR 33 -0.128 8.259 -0.534
204 HH TYR 33 HH TYR 33 0.626 10.578 -0.229
205 H ILE 34 H ILE 34 -3.084 7.062 5.972
206 HA ILE 34 HA ILE 34 -4.805 4.954 7.019
207 HB ILE 34 HB ILE 34 -3.110 6.033 8.499
208 HG12 ILE 34 2HG1 ILE 34 -5.763 6.677 9.715
209 HG13 ILE 34 3HG1 ILE 34 -5.465 5.027 9.194
210 HG21 ILE 34 1HG2 ILE 34 -4.874 8.475 8.306
211 HG22 ILE 34 2HG2 ILE 34 -3.219 8.325 7.717
212 HG23 ILE 34 3HG2 ILE 34 -3.547 8.259 9.448
213 HD11 ILE 34 3HD1 ILE 34 -3.806 6.576 11.173
214 HD12 ILE 34 1HD1 ILE 34 -3.506 4.918 10.649
215 HD13 ILE 34 2HD1 ILE 34 -4.970 5.307 11.553
216 H ILE 35 H ILE 35 -6.963 5.029 7.099
217 HA ILE 35 HA ILE 35 -8.322 7.523 6.346
218 HB ILE 35 HB ILE 35 -10.072 6.049 5.188
219 HG12 ILE 35 2HG1 ILE 35 -8.540 4.064 4.077
220 HG13 ILE 35 3HG1 ILE 35 -7.983 4.041 5.746
221 HG21 ILE 35 1HG2 ILE 35 -8.637 7.589 4.002
222 HG22 ILE 35 2HG2 ILE 35 -8.841 6.105 3.070
223 HG23 ILE 35 3HG2 ILE 35 -7.345 6.389 3.959
224 HD11 ILE 35 3HD1 ILE 35 -10.281 3.737 6.506
225 HD12 ILE 35 1HD1 ILE 35 -9.787 2.459 5.396
226 HD13 ILE 35 2HD1 ILE 35 -10.836 3.760 4.831
Start of MODEL 8
1 H1 PCA 1 H1 PCA 1 5.429 -14.232 5.969
2 HA PCA 1 HA PCA 1 6.108 -12.912 4.120
3 HB2 PCA 1 3HB PCA 1 4.087 -12.987 2.869
4 HB3 PCA 1 2HB PCA 1 3.863 -11.306 3.493
5 HG2 PCA 1 3HG PCA 1 2.121 -12.824 4.320
6 HG3 PCA 1 2HG PCA 1 2.784 -14.061 3.234
7 H ASP 2 H ASP 2 6.526 -10.568 3.824
8 HA ASP 2 HA ASP 2 6.266 -9.081 6.345
9 HB2 ASP 2 2HB ASP 2 8.419 -9.004 4.223
10 HB3 ASP 2 3HB ASP 2 8.284 -7.791 5.492
11 H CYS 3 H CYS 3 4.413 -8.011 6.030
12 HA CYS 3 HA CYS 3 3.785 -6.615 3.596
13 HB2 CYS 3 2HB CYS 3 2.416 -6.558 6.286
14 HB3 CYS 3 3HB CYS 3 1.771 -5.869 4.807
15 HA PRO 4 HA PRO 4 5.602 -2.647 4.505
16 HB2 PRO 4 2HB PRO 4 3.881 -1.009 3.156
17 HB3 PRO 4 3HB PRO 4 5.074 -2.036 2.340
18 HG2 PRO 4 2HG PRO 4 2.161 -2.505 2.769
19 HG3 PRO 4 3HG PRO 4 3.140 -2.776 1.315
20 HD2 PRO 4 2HD PRO 4 2.459 -4.794 2.962
21 HD3 PRO 4 3HD PRO 4 4.013 -4.757 2.103
22 H GLY 5 H GLY 5 5.213 -0.567 5.528
23 HA2 GLY 5 2HA GLY 5 3.010 -0.683 7.484
24 HA3 GLY 5 3HA GLY 5 4.527 0.176 7.714
25 H GLU 6 H GLU 6 3.002 1.934 8.337
26 HA GLU 6 HA GLU 6 1.422 3.203 6.304
27 HB2 GLU 6 2HB GLU 6 1.019 3.255 8.830
28 HB3 GLU 6 3HB GLU 6 2.309 4.445 8.908
29 HG2 GLU 6 2HG GLU 6 1.031 5.925 7.435
30 HG3 GLU 6 3HG GLU 6 -0.263 4.731 7.359
31 H GLY 7 H GLY 7 2.106 4.503 4.757
32 HA2 GLY 7 2HA GLY 7 3.211 6.463 3.971
33 HA3 GLY 7 3HA GLY 7 4.417 6.257 5.230
34 H GLU 8 H GLU 8 3.947 3.263 3.932
35 HA GLU 8 HA GLU 8 6.319 3.519 2.231
36 HB2 GLU 8 2HB GLU 8 5.909 1.777 4.192
37 HB3 GLU 8 3HB GLU 8 5.100 0.878 2.918
38 HG2 GLU 8 2HG GLU 8 7.146 0.922 1.583
39 HG3 GLU 8 3HG GLU 8 7.958 1.825 2.860
40 H GLN 9 H GLN 9 6.358 2.049 0.260
41 HA GLN 9 HA GLN 9 4.058 2.652 -1.382
42 HB2 GLN 9 2HB GLN 9 6.548 2.826 -2.044
43 HB3 GLN 9 3HB GLN 9 6.472 1.085 -2.264
44 HG2 GLN 9 2HG GLN 9 4.663 1.393 -3.906
45 HG3 GLN 9 3HG GLN 9 4.818 3.140 -3.719
46 HE21 GLN 9 1HE2 GLN 9 6.633 4.184 -4.539
47 HE22 GLN 9 2HE2 GLN 9 7.678 3.438 -5.695
48 H CYS 10 H CYS 10 2.590 1.281 -2.203
49 HA CYS 10 HA CYS 10 2.846 -1.591 -1.600
50 HB2 CYS 10 2HB CYS 10 0.307 -1.556 -1.344
51 HB3 CYS 10 3HB CYS 10 1.235 -0.824 -0.039
52 H ASP 11 H ASP 11 2.715 -2.848 -3.338
53 HA ASP 11 HA ASP 11 1.654 -1.680 -5.814
54 HB2 ASP 11 2HB ASP 11 2.924 -3.527 -6.973
55 HB3 ASP 11 3HB ASP 11 3.918 -2.350 -6.131
56 H VAL 12 H VAL 12 0.439 -3.009 -7.282
57 HA VAL 12 HA VAL 12 -1.548 -4.589 -5.882
58 HB VAL 12 HB VAL 12 -2.700 -4.637 -8.154
59 HG11 VAL 12 1HG1 VAL 12 -3.385 -3.114 -6.411
60 HG12 VAL 12 2HG1 VAL 12 -3.458 -2.304 -7.976
61 HG13 VAL 12 3HG1 VAL 12 -2.122 -1.973 -6.873
62 HG21 VAL 12 3HG2 VAL 12 -2.006 -2.956 -9.807
63 HG22 VAL 12 1HG2 VAL 12 -0.774 -4.199 -9.593
64 HG23 VAL 12 2HG2 VAL 12 -0.564 -2.613 -8.852
65 H GLU 13 H GLU 13 1.301 -5.560 -6.651
66 HA GLU 13 HA GLU 13 0.585 -7.933 -8.211
67 HB2 GLU 13 2HB GLU 13 3.244 -6.711 -7.485
68 HB3 GLU 13 3HB GLU 13 3.112 -8.317 -8.188
69 HG2 GLU 13 2HG GLU 13 1.891 -5.930 -9.529
70 HG3 GLU 13 3HG GLU 13 3.594 -6.332 -9.740
71 H PHE 14 H PHE 14 2.669 -7.324 -5.334
72 HA PHE 14 HA PHE 14 1.387 -9.532 -3.939
73 HB2 PHE 14 2HB PHE 14 3.438 -10.287 -5.452
74 HB3 PHE 14 3HB PHE 14 4.366 -9.713 -4.071
75 HD1 PHE 14 HD1 PHE 14 1.941 -12.193 -5.246
76 HD2 PHE 14 HD2 PHE 14 4.333 -10.882 -1.981
77 HE1 PHE 14 HE1 PHE 14 1.539 -14.335 -4.094
78 HE2 PHE 14 HE2 PHE 14 3.939 -13.017 -0.823
79 HZ PHE 14 HZ PHE 14 2.539 -14.746 -1.878
80 H ASN 15 H ASN 15 2.555 -6.481 -3.793
81 HA ASN 15 HA ASN 15 3.232 -6.739 -0.937
82 HB2 ASN 15 2HB ASN 15 5.087 -6.019 -2.618
83 HB3 ASN 15 3HB ASN 15 4.266 -4.462 -2.601
84 HD21 ASN 15 1HD2 ASN 15 4.261 -3.237 -0.713
85 HD22 ASN 15 2HD2 ASN 15 5.364 -3.543 0.582
86 HA PRO 16 HA PRO 16 -0.338 -3.776 -1.097
87 HB2 PRO 16 2HB PRO 16 -2.178 -5.517 0.112
88 HB3 PRO 16 3HB PRO 16 -2.052 -5.198 -1.625
89 HG2 PRO 16 2HG PRO 16 -1.533 -7.638 -0.323
90 HG3 PRO 16 3HG PRO 16 -1.191 -7.235 -2.015
91 HD2 PRO 16 2HD PRO 16 0.645 -7.257 0.325
92 HD3 PRO 16 3HD PRO 16 0.984 -7.593 -1.387
93 H CYS 17 H CYS 17 -1.662 -2.920 0.804
94 HA CYS 17 HA CYS 17 -0.025 -2.950 3.195
95 HB2 CYS 17 2HB CYS 17 -2.636 -1.466 2.840
96 HB3 CYS 17 3HB CYS 17 -1.338 -1.113 3.973
97 H CYS 18 H CYS 18 -0.239 -4.665 4.493
98 HA CYS 18 HA CYS 18 -2.730 -6.071 4.810
99 HB2 CYS 18 2HB CYS 18 -0.123 -6.472 6.283
100 HB3 CYS 18 3HB CYS 18 -1.501 -7.563 6.302
101 HA PRO 19 HA PRO 19 -2.482 -4.139 9.293
102 HB2 PRO 19 2HB PRO 19 -1.047 -1.596 8.908
103 HB3 PRO 19 3HB PRO 19 -0.769 -2.855 10.118
104 HG2 PRO 19 2HG PRO 19 0.978 -2.402 8.157
105 HG3 PRO 19 3HG PRO 19 0.660 -4.038 8.774
106 HD2 PRO 19 2HD PRO 19 -0.406 -2.722 6.303
107 HD3 PRO 19 3HD PRO 19 0.260 -4.355 6.508
108 HA PRO 20 HA PRO 20 -5.877 -1.283 8.590
109 HB2 PRO 20 2HB PRO 20 -5.040 0.689 10.637
110 HB3 PRO 20 3HB PRO 20 -6.502 -0.311 10.567
111 HG2 PRO 20 2HG PRO 20 -4.597 -0.829 12.329
112 HG3 PRO 20 3HG PRO 20 -5.467 -2.141 11.506
113 HD2 PRO 20 2HD PRO 20 -2.746 -1.033 10.918
114 HD3 PRO 20 3HD PRO 20 -3.274 -2.728 11.014
115 H LEU 21 H LEU 21 -4.035 -0.769 6.692
116 HA LEU 21 HA LEU 21 -4.303 2.127 6.266
117 HB2 LEU 21 2HB LEU 21 -1.844 0.485 5.631
118 HB3 LEU 21 3HB LEU 21 -2.115 2.118 5.073
119 HG LEU 21 HG LEU 21 -0.624 2.372 6.835
120 HD11 LEU 21 1HD1 LEU 21 -2.517 3.905 7.087
121 HD12 LEU 21 2HD1 LEU 21 -1.747 3.517 8.626
122 HD13 LEU 21 3HD1 LEU 21 -3.278 2.760 8.194
123 HD21 LEU 21 3HD2 LEU 21 -0.955 1.287 9.070
124 HD22 LEU 21 1HD2 LEU 21 -0.541 0.208 7.737
125 HD23 LEU 21 2HD2 LEU 21 -2.207 0.300 8.312
126 H THR 22 H THR 22 -4.347 2.756 4.038
127 HA THR 22 HA THR 22 -5.317 0.614 2.270
128 HB THR 22 HB THR 22 -7.117 2.129 2.778
129 HG1 THR 22 HG1 THR 22 -7.341 3.089 0.521
130 HG21 THR 22 3HG2 THR 22 -5.827 4.100 3.446
131 HG22 THR 22 1HG2 THR 22 -7.070 4.510 2.265
132 HG23 THR 22 2HG2 THR 22 -5.384 4.377 1.763
133 H CYS 23 H CYS 23 -4.943 0.933 -0.058
134 HA CYS 23 HA CYS 23 -2.257 2.008 -0.507
135 HB2 CYS 23 2HB CYS 23 -2.996 -0.413 -1.072
136 HB3 CYS 23 3HB CYS 23 -3.781 0.320 -2.466
137 H ILE 24 H ILE 24 -2.314 4.086 -1.075
138 HA ILE 24 HA ILE 24 -4.008 4.866 -3.343
139 HB ILE 24 HB ILE 24 -3.390 6.759 -1.063
140 HG12 ILE 24 2HG1 ILE 24 -6.045 5.399 -1.541
141 HG13 ILE 24 3HG1 ILE 24 -4.867 4.804 -0.395
142 HG21 ILE 24 1HG2 ILE 24 -3.840 7.794 -3.249
143 HG22 ILE 24 2HG2 ILE 24 -5.101 8.171 -2.077
144 HG23 ILE 24 3HG2 ILE 24 -5.391 6.955 -3.322
145 HD11 ILE 24 3HD1 ILE 24 -5.025 6.940 0.826
146 HD12 ILE 24 1HD1 ILE 24 -6.561 6.082 0.746
147 HD13 ILE 24 2HD1 ILE 24 -6.268 7.466 -0.304
148 HA PRO 25 HA PRO 25 -4.079 6.181 -5.079
149 HB2 PRO 25 2HB PRO 25 -3.044 5.788 -7.584
150 HB3 PRO 25 3HB PRO 25 -3.139 7.381 -6.810
151 HG2 PRO 25 2HG PRO 25 -0.811 5.529 -7.023
152 HG3 PRO 25 3HG PRO 25 -0.874 7.288 -7.241
153 HD2 PRO 25 2HD PRO 25 0.021 6.177 -4.959
154 HD3 PRO 25 3HD PRO 25 -0.864 7.710 -4.970
155 H GLY 26 H GLY 26 -1.483 3.888 -6.088
156 HA2 GLY 26 2HA GLY 26 -1.524 1.557 -5.997
157 HA3 GLY 26 3HA GLY 26 -3.196 1.626 -5.467
158 H ASP 27 H ASP 27 -1.929 3.203 -8.359
159 HA ASP 27 HA ASP 27 -3.177 1.168 -10.058
160 HB2 ASP 27 2HB ASP 27 -3.888 4.103 -10.099
161 HB3 ASP 27 3HB ASP 27 -4.240 3.013 -11.436
162 HA PRO 28 HA PRO 28 -1.751 -0.256 -10.376
163 HB2 PRO 28 2HB PRO 28 0.970 -1.084 -10.742
164 HB3 PRO 28 3HB PRO 28 -0.441 -1.537 -11.711
165 HG2 PRO 28 2HG PRO 28 1.657 -0.023 -12.631
166 HG3 PRO 28 3HG PRO 28 0.027 -0.028 -13.329
167 HD2 PRO 28 2HD PRO 28 1.274 1.949 -11.470
168 HD3 PRO 28 3HD PRO 28 0.180 2.221 -12.842
169 H TYR 29 H TYR 29 1.123 1.644 -9.574
170 HA TYR 29 HA TYR 29 1.481 0.317 -7.011
171 HB2 TYR 29 2HB TYR 29 2.987 2.602 -8.297
172 HB3 TYR 29 3HB TYR 29 3.420 1.855 -6.766
173 HD1 TYR 29 HD1 TYR 29 3.197 1.298 -10.413
174 HD2 TYR 29 HD2 TYR 29 4.609 -0.211 -6.695
175 HE1 TYR 29 HE1 TYR 29 4.555 -0.361 -11.612
176 HE2 TYR 29 HE2 TYR 29 5.974 -1.875 -7.883
177 HH TYR 29 HH TYR 29 6.013 -3.007 -10.066
178 H GLY 30 H GLY 30 1.492 1.431 -5.003
179 HA2 GLY 30 2HA GLY 30 0.239 4.052 -4.893
180 HA3 GLY 30 3HA GLY 30 -0.669 2.733 -4.188
181 H ILE 31 H ILE 31 -0.453 4.172 -2.274
182 HA ILE 31 HA ILE 31 1.961 3.451 -0.743
183 HB ILE 31 HB ILE 31 0.602 6.122 -0.402
184 HG12 ILE 31 2HG1 ILE 31 1.493 6.133 -2.687
185 HG13 ILE 31 3HG1 ILE 31 2.400 7.230 -1.661
186 HG21 ILE 31 1HG2 ILE 31 1.875 5.414 1.515
187 HG22 ILE 31 2HG2 ILE 31 2.682 6.776 0.739
188 HG23 ILE 31 3HG2 ILE 31 3.299 5.140 0.510
189 HD11 ILE 31 3HD1 ILE 31 3.879 6.060 -3.174
190 HD12 ILE 31 1HD1 ILE 31 3.295 4.502 -2.590
191 HD13 ILE 31 2HD1 ILE 31 4.208 5.560 -1.515
192 H CYS 32 H CYS 32 1.601 3.294 1.558
193 HA CYS 32 HA CYS 32 -1.094 2.416 2.211
194 HB2 CYS 32 2HB CYS 32 1.498 2.288 3.764
195 HB3 CYS 32 3HB CYS 32 -0.029 1.644 4.346
196 H TYR 33 H TYR 33 -2.409 4.151 2.518
197 HA TYR 33 HA TYR 33 -1.536 6.237 4.404
198 HB2 TYR 33 2HB TYR 33 -3.433 6.175 2.105
199 HB3 TYR 33 3HB TYR 33 -3.747 7.313 3.409
200 HD1 TYR 33 HD1 TYR 33 -1.945 9.004 3.990
201 HD2 TYR 33 HD2 TYR 33 -1.804 6.642 0.449
202 HE1 TYR 33 HE1 TYR 33 -0.353 10.593 2.997
203 HE2 TYR 33 HE2 TYR 33 -0.215 8.225 -0.547
204 HH TYR 33 HH TYR 33 1.378 10.616 1.252
205 H ILE 34 H ILE 34 -3.022 7.008 6.006
206 HA ILE 34 HA ILE 34 -4.658 4.865 7.112
207 HB ILE 34 HB ILE 34 -2.958 6.006 8.538
208 HG12 ILE 34 2HG1 ILE 34 -5.595 6.587 9.817
209 HG13 ILE 34 3HG1 ILE 34 -5.263 4.940 9.304
210 HG21 ILE 34 1HG2 ILE 34 -4.794 8.395 8.370
211 HG22 ILE 34 2HG2 ILE 34 -3.152 8.286 7.738
212 HG23 ILE 34 3HG2 ILE 34 -3.432 8.228 9.479
213 HD11 ILE 34 3HD1 ILE 34 -4.717 5.257 11.646
214 HD12 ILE 34 1HD1 ILE 34 -3.600 6.556 11.225
215 HD13 ILE 34 2HD1 ILE 34 -3.266 4.904 10.708
216 H ILE 35 H ILE 35 -6.816 4.878 7.247
217 HA ILE 35 HA ILE 35 -8.267 7.330 6.522
218 HB ILE 35 HB ILE 35 -9.995 5.806 5.399
219 HG12 ILE 35 2HG1 ILE 35 -8.433 3.868 4.249
220 HG13 ILE 35 3HG1 ILE 35 -7.837 3.858 5.905
221 HG21 ILE 35 1HG2 ILE 35 -8.632 7.389 4.185
222 HG22 ILE 35 2HG2 ILE 35 -8.812 5.901 3.254
223 HG23 ILE 35 3HG2 ILE 35 -7.306 6.229 4.112
224 HD11 ILE 35 3HD1 ILE 35 -9.602 2.226 5.594
225 HD12 ILE 35 1HD1 ILE 35 -10.701 3.498 5.058
226 HD13 ILE 35 2HD1 ILE 35 -10.107 3.488 6.718
Start of MODEL 9
1 H1 PCA 1 H1 PCA 1 6.589 -13.847 5.646
2 HA PCA 1 HA PCA 1 6.917 -12.747 3.246
3 HB2 PCA 1 3HB PCA 1 4.713 -13.113 2.433
4 HB3 PCA 1 2HB PCA 1 4.357 -11.547 3.261
5 HG2 PCA 1 3HG PCA 1 3.114 -13.410 4.265
6 HG3 PCA 1 2HG PCA 1 3.713 -14.429 2.940
7 H ASP 2 H ASP 2 7.114 -10.430 3.179
8 HA ASP 2 HA ASP 2 6.867 -9.117 5.800
9 HB2 ASP 2 2HB ASP 2 8.964 -8.777 3.649
10 HB3 ASP 2 3HB ASP 2 8.767 -7.640 4.978
11 H CYS 3 H CYS 3 4.950 -8.142 5.590
12 HA CYS 3 HA CYS 3 4.225 -6.643 3.231
13 HB2 CYS 3 2HB CYS 3 2.124 -6.186 4.471
14 HB3 CYS 3 3HB CYS 3 2.492 -7.904 4.349
15 HA PRO 4 HA PRO 4 5.703 -2.649 4.539
16 HB2 PRO 4 2HB PRO 4 3.961 -1.030 3.216
17 HB3 PRO 4 3HB PRO 4 5.229 -1.949 2.382
18 HG2 PRO 4 2HG PRO 4 2.336 -2.605 2.708
19 HG3 PRO 4 3HG PRO 4 3.340 -2.688 1.251
20 HD2 PRO 4 2HD PRO 4 2.789 -4.883 2.687
21 HD3 PRO 4 3HD PRO 4 4.362 -4.655 1.903
22 H GLY 5 H GLY 5 5.053 -0.608 5.579
23 HA2 GLY 5 2HA GLY 5 2.753 -0.976 7.398
24 HA3 GLY 5 3HA GLY 5 4.225 -0.109 7.820
25 H GLU 6 H GLU 6 2.848 1.693 8.416
26 HA GLU 6 HA GLU 6 1.285 3.031 6.398
27 HB2 GLU 6 2HB GLU 6 0.761 3.037 8.865
28 HB3 GLU 6 3HB GLU 6 2.140 4.099 9.097
29 HG2 GLU 6 2HG GLU 6 1.081 5.786 7.675
30 HG3 GLU 6 3HG GLU 6 -0.303 4.722 7.440
31 H GLY 7 H GLY 7 2.008 4.369 4.905
32 HA2 GLY 7 2HA GLY 7 3.166 6.253 4.089
33 HA3 GLY 7 3HA GLY 7 4.258 6.154 5.460
34 H GLU 8 H GLU 8 3.467 3.436 3.379
35 HA GLU 8 HA GLU 8 6.136 3.584 2.147
36 HB2 GLU 8 2HB GLU 8 5.689 1.859 4.132
37 HB3 GLU 8 3HB GLU 8 5.003 0.909 2.824
38 HG2 GLU 8 2HG GLU 8 7.117 1.030 1.613
39 HG3 GLU 8 3HG GLU 8 7.808 1.998 2.915
40 H GLN 9 H GLN 9 6.295 2.078 0.209
41 HA GLN 9 HA GLN 9 4.058 2.595 -1.533
42 HB2 GLN 9 2HB GLN 9 6.557 2.766 -2.113
43 HB3 GLN 9 3HB GLN 9 6.519 1.015 -2.252
44 HG2 GLN 9 2HG GLN 9 4.771 1.215 -3.978
45 HG3 GLN 9 3HG GLN 9 4.896 2.972 -3.868
46 HE21 GLN 9 1HE2 GLN 9 6.455 0.043 -4.901
47 HE22 GLN 9 2HE2 GLN 9 7.661 0.791 -5.887
48 H CYS 10 H CYS 10 2.531 1.256 -2.182
49 HA CYS 10 HA CYS 10 2.789 -1.623 -1.612
50 HB2 CYS 10 2HB CYS 10 0.244 -1.559 -1.348
51 HB3 CYS 10 3HB CYS 10 1.190 -0.850 -0.044
52 H ASP 11 H ASP 11 2.660 -2.875 -3.360
53 HA ASP 11 HA ASP 11 1.580 -1.691 -5.821
54 HB2 ASP 11 2HB ASP 11 2.847 -3.516 -7.007
55 HB3 ASP 11 3HB ASP 11 3.847 -2.354 -6.151
56 H VAL 12 H VAL 12 0.359 -3.001 -7.289
57 HA VAL 12 HA VAL 12 -1.622 -4.597 -5.900
58 HB VAL 12 HB VAL 12 -2.781 -4.618 -8.169
59 HG11 VAL 12 1HG1 VAL 12 -3.536 -2.287 -7.962
60 HG12 VAL 12 2HG1 VAL 12 -2.196 -1.969 -6.861
61 HG13 VAL 12 3HG1 VAL 12 -3.458 -3.114 -6.405
62 HG21 VAL 12 3HG2 VAL 12 -0.862 -4.169 -9.609
63 HG22 VAL 12 1HG2 VAL 12 -0.645 -2.591 -8.850
64 HG23 VAL 12 2HG2 VAL 12 -2.092 -2.919 -9.804
65 H GLU 13 H GLU 13 1.222 -5.565 -6.679
66 HA GLU 13 HA GLU 13 0.501 -7.916 -8.267
67 HB2 GLU 13 2HB GLU 13 3.156 -6.690 -7.551
68 HB3 GLU 13 3HB GLU 13 3.031 -8.298 -8.250
69 HG2 GLU 13 2HG GLU 13 1.919 -7.359 -10.213
70 HG3 GLU 13 3HG GLU 13 2.044 -5.746 -9.511
71 H PHE 14 H PHE 14 2.613 -7.351 -5.400
72 HA PHE 14 HA PHE 14 1.333 -9.567 -4.018
73 HB2 PHE 14 2HB PHE 14 3.362 -10.316 -5.565
74 HB3 PHE 14 3HB PHE 14 4.309 -9.765 -4.188
75 HD1 PHE 14 HD2 PHE 14 1.863 -12.218 -5.374
76 HD2 PHE 14 HD1 PHE 14 4.286 -10.963 -2.109
77 HE1 PHE 14 HE2 PHE 14 1.464 -14.376 -4.250
78 HE2 PHE 14 HE1 PHE 14 3.894 -13.113 -0.980
79 HZ PHE 14 HZ PHE 14 2.480 -14.822 -2.048
80 H ASN 15 H ASN 15 2.575 -6.528 -3.856
81 HA ASN 15 HA ASN 15 3.294 -6.835 -1.016
82 HB2 ASN 15 2HB ASN 15 5.091 -6.058 -2.741
83 HB3 ASN 15 3HB ASN 15 4.260 -4.509 -2.649
84 HD21 ASN 15 1HD2 ASN 15 4.310 -3.339 -0.729
85 HD22 ASN 15 2HD2 ASN 15 5.455 -3.677 0.521
86 HA PRO 16 HA PRO 16 -0.299 -3.916 -0.968
87 HB2 PRO 16 2HB PRO 16 -2.032 -5.673 0.359
88 HB3 PRO 16 3HB PRO 16 -1.999 -5.392 -1.388
89 HG2 PRO 16 2HG PRO 16 -1.353 -7.789 -0.051
90 HG3 PRO 16 3HG PRO 16 -1.130 -7.425 -1.771
91 HD2 PRO 16 2HD PRO 16 0.854 -7.351 0.442
92 HD3 PRO 16 3HD PRO 16 1.090 -7.711 -1.283
93 H CYS 17 H CYS 17 -1.533 -3.075 0.995
94 HA CYS 17 HA CYS 17 0.241 -2.987 3.279
95 HB2 CYS 17 2HB CYS 17 -2.477 -1.678 3.063
96 HB3 CYS 17 3HB CYS 17 -1.140 -1.214 4.108
97 H CYS 18 H CYS 18 0.142 -4.357 4.944
98 HA CYS 18 HA CYS 18 -2.142 -6.102 5.265
99 HB2 CYS 18 2HB CYS 18 -0.768 -7.250 6.975
100 HB3 CYS 18 3HB CYS 18 0.019 -7.132 5.407
101 HA PRO 19 HA PRO 19 -2.492 -3.836 9.496
102 HB2 PRO 19 2HB PRO 19 -1.303 -1.213 9.362
103 HB3 PRO 19 3HB PRO 19 -0.808 -2.576 10.372
104 HG2 PRO 19 2HG PRO 19 0.704 -1.544 8.341
105 HG3 PRO 19 3HG PRO 19 0.840 -3.203 8.956
106 HD2 PRO 19 2HD PRO 19 -0.582 -2.206 6.523
107 HD3 PRO 19 3HD PRO 19 0.397 -3.674 6.739
108 HA PRO 20 HA PRO 20 -6.013 -1.261 8.428
109 HB2 PRO 20 2HB PRO 20 -5.508 0.777 10.521
110 HB3 PRO 20 3HB PRO 20 -6.889 -0.317 10.324
111 HG2 PRO 20 2HG PRO 20 -5.133 -0.698 12.266
112 HG3 PRO 20 3HG PRO 20 -5.834 -2.070 11.381
113 HD2 PRO 20 2HD PRO 20 -3.143 -0.796 11.047
114 HD3 PRO 20 3HD PRO 20 -3.573 -2.519 11.101
115 H LEU 21 H LEU 21 -4.272 -0.673 6.612
116 HA LEU 21 HA LEU 21 -4.496 2.227 6.198
117 HB2 LEU 21 2HB LEU 21 -2.050 0.554 5.594
118 HB3 LEU 21 3HB LEU 21 -2.292 2.185 5.020
119 HG LEU 21 HG LEU 21 -0.816 2.426 6.798
120 HD11 LEU 21 1HD1 LEU 21 -3.484 2.885 8.106
121 HD12 LEU 21 2HD1 LEU 21 -2.670 4.002 7.011
122 HD13 LEU 21 3HD1 LEU 21 -1.943 3.605 8.567
123 HD21 LEU 21 3HD2 LEU 21 -0.913 0.186 7.663
124 HD22 LEU 21 1HD2 LEU 21 -2.484 0.510 8.401
125 HD23 LEU 21 2HD2 LEU 21 -1.046 1.353 8.980
126 H THR 22 H THR 22 -4.439 2.855 3.950
127 HA THR 22 HA THR 22 -5.436 0.736 2.169
128 HB THR 22 HB THR 22 -7.213 2.288 2.641
129 HG1 THR 22 HG1 THR 22 -7.711 2.089 0.612
130 HG21 THR 22 3HG2 THR 22 -5.415 4.500 1.671
131 HG22 THR 22 1HG2 THR 22 -5.898 4.228 3.343
132 HG23 THR 22 2HG2 THR 22 -7.108 4.667 2.139
133 H CYS 23 H CYS 23 -4.998 1.042 -0.147
134 HA CYS 23 HA CYS 23 -2.287 2.075 -0.537
135 HB2 CYS 23 2HB CYS 23 -3.046 -0.336 -1.113
136 HB3 CYS 23 3HB CYS 23 -3.797 0.403 -2.522
137 H ILE 24 H ILE 24 -2.312 4.157 -1.095
138 HA ILE 24 HA ILE 24 -3.952 4.962 -3.394
139 HB ILE 24 HB ILE 24 -3.323 6.840 -1.105
140 HG12 ILE 24 2HG1 ILE 24 -5.998 5.536 -1.626
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.921 -0.459
142 HG21 ILE 24 1HG2 ILE 24 -5.286 7.087 -3.393
143 HG22 ILE 24 2HG2 ILE 24 -3.718 7.887 -3.298
144 HG23 ILE 24 3HG2 ILE 24 -4.985 8.294 -2.140
145 HD11 ILE 24 3HD1 ILE 24 -4.988 7.051 0.763
146 HD12 ILE 24 1HD1 ILE 24 -6.547 6.238 0.642
147 HD13 ILE 24 2HD1 ILE 24 -6.188 7.615 -0.395
148 HA PRO 25 HA PRO 25 -3.976 6.277 -5.133
149 HB2 PRO 25 2HB PRO 25 -2.920 5.849 -7.624
150 HB3 PRO 25 3HB PRO 25 -2.992 7.449 -6.858
151 HG2 PRO 25 2HG PRO 25 -0.700 5.548 -7.034
152 HG3 PRO 25 3HG PRO 25 -0.725 7.307 -7.261
153 HD2 PRO 25 2HD PRO 25 0.120 6.190 -4.963
154 HD3 PRO 25 3HD PRO 25 -0.736 7.739 -4.990
155 H GLY 26 H GLY 26 -1.420 3.921 -6.083
156 HA2 GLY 26 2HA GLY 26 -1.512 1.594 -5.997
157 HA3 GLY 26 3HA GLY 26 -3.183 1.700 -5.472
158 H ASP 27 H ASP 27 -1.881 3.243 -8.366
159 HA ASP 27 HA ASP 27 -3.163 1.223 -10.059
160 HB2 ASP 27 2HB ASP 27 -3.812 4.171 -10.120
161 HB3 ASP 27 3HB ASP 27 -4.186 3.079 -11.449
162 HA PRO 28 HA PRO 28 -1.761 -0.231 -10.354
163 HB2 PRO 28 2HB PRO 28 0.942 -1.117 -10.710
164 HB3 PRO 28 3HB PRO 28 -0.477 -1.546 -11.679
165 HG2 PRO 28 2HG PRO 28 1.656 -0.082 -12.603
166 HG3 PRO 28 3HG PRO 28 0.029 -0.063 -13.308
167 HD2 PRO 28 2HD PRO 28 1.307 1.909 -11.465
168 HD3 PRO 28 3HD PRO 28 0.219 2.186 -12.841
169 H TYR 29 H TYR 29 1.148 1.624 -9.567
170 HA TYR 29 HA TYR 29 1.490 0.307 -6.998
171 HB2 TYR 29 2HB TYR 29 3.019 2.572 -8.293
172 HB3 TYR 29 3HB TYR 29 3.444 1.828 -6.758
173 HD1 TYR 29 HD2 TYR 29 3.213 1.250 -10.401
174 HD2 TYR 29 HD1 TYR 29 4.617 -0.243 -6.675
175 HE1 TYR 29 HE2 TYR 29 4.555 -0.431 -11.591
176 HE2 TYR 29 HE1 TYR 29 5.967 -1.929 -7.852
177 HH TYR 29 HH TYR 29 5.992 -3.076 -10.027
178 H GLY 30 H GLY 30 1.501 1.421 -4.990
179 HA2 GLY 30 2HA GLY 30 0.289 4.062 -4.891
180 HA3 GLY 30 3HA GLY 30 -0.647 2.759 -4.193
181 H ILE 31 H ILE 31 -0.430 4.191 -2.277
182 HA ILE 31 HA ILE 31 1.959 3.439 -0.720
183 HB ILE 31 HB ILE 31 0.627 6.127 -0.386
184 HG12 ILE 31 2HG1 ILE 31 1.528 6.134 -2.667
185 HG13 ILE 31 3HG1 ILE 31 2.440 7.219 -1.633
186 HG21 ILE 31 1HG2 ILE 31 1.886 5.396 1.533
187 HG22 ILE 31 2HG2 ILE 31 2.706 6.757 0.768
188 HG23 ILE 31 3HG2 ILE 31 3.312 5.118 0.533
189 HD11 ILE 31 3HD1 ILE 31 3.303 4.505 -2.625
190 HD12 ILE 31 1HD1 ILE 31 4.212 5.481 -1.469
191 HD13 ILE 31 2HD1 ILE 31 3.944 6.074 -3.108
192 H CYS 32 H CYS 32 1.561 3.284 1.584
193 HA CYS 32 HA CYS 32 -1.161 2.455 2.188
194 HB2 CYS 32 2HB CYS 32 1.359 2.301 3.858
195 HB3 CYS 32 3HB CYS 32 -0.191 1.602 4.302
196 H TYR 33 H TYR 33 -2.457 4.202 2.494
197 HA TYR 33 HA TYR 33 -1.575 6.259 4.409
198 HB2 TYR 33 2HB TYR 33 -3.418 6.262 2.065
199 HB3 TYR 33 3HB TYR 33 -3.725 7.403 3.367
200 HD1 TYR 33 HD1 TYR 33 -1.843 9.002 4.020
201 HD2 TYR 33 HD2 TYR 33 -1.781 6.719 0.425
202 HE1 TYR 33 HE1 TYR 33 -0.186 10.549 3.068
203 HE2 TYR 33 HE2 TYR 33 -0.129 8.261 -0.532
204 HH TYR 33 HH TYR 33 0.626 10.578 -0.225
205 H ILE 34 H ILE 34 -3.090 7.061 5.972
206 HA ILE 34 HA ILE 34 -4.810 4.952 7.017
207 HB ILE 34 HB ILE 34 -3.117 6.033 8.499
208 HG12 ILE 34 2HG1 ILE 34 -5.770 6.674 9.713
209 HG13 ILE 34 3HG1 ILE 34 -5.472 5.024 9.191
210 HG21 ILE 34 1HG2 ILE 34 -3.557 8.259 9.447
211 HG22 ILE 34 2HG2 ILE 34 -4.884 8.473 8.307
212 HG23 ILE 34 3HG2 ILE 34 -3.229 8.325 7.716
213 HD11 ILE 34 3HD1 ILE 34 -3.513 4.917 10.648
214 HD12 ILE 34 1HD1 ILE 34 -4.979 5.303 11.551
215 HD13 ILE 34 2HD1 ILE 34 -3.816 6.573 11.172
216 H ILE 35 H ILE 35 -6.969 5.027 7.097
217 HA ILE 35 HA ILE 35 -8.328 7.522 6.343
218 HB ILE 35 HB ILE 35 -10.074 6.050 5.180
219 HG12 ILE 35 2HG1 ILE 35 -8.545 4.064 4.068
220 HG13 ILE 35 3HG1 ILE 35 -7.986 4.038 5.738
221 HG21 ILE 35 1HG2 ILE 35 -8.841 6.110 3.065
222 HG22 ILE 35 2HG2 ILE 35 -7.344 6.387 3.956
223 HG23 ILE 35 3HG2 ILE 35 -8.633 7.590 4.000
224 HD11 ILE 35 3HD1 ILE 35 -9.793 2.460 5.383
225 HD12 ILE 35 1HD1 ILE 35 -10.842 3.765 4.828
226 HD13 ILE 35 2HD1 ILE 35 -10.283 3.735 6.501
Start of MODEL 10
1 H1 PCA 1 H1 PCA 1 7.236 -14.254 4.733
2 HA PCA 1 HA PCA 1 7.010 -12.624 3.026
3 HB2 PCA 1 3HB PCA 1 4.786 -13.126 2.351
4 HB3 PCA 1 2HB PCA 1 4.374 -11.636 3.286
5 HG2 PCA 1 3HG PCA 1 3.356 -13.640 4.274
6 HG3 PCA 1 2HG PCA 1 3.932 -14.541 2.857
7 H ASP 2 H ASP 2 7.170 -10.340 3.100
8 HA ASP 2 HA ASP 2 6.859 -9.132 5.764
9 HB2 ASP 2 2HB ASP 2 9.009 -8.684 3.687
10 HB3 ASP 2 3HB ASP 2 8.755 -7.597 5.048
11 H CYS 3 H CYS 3 4.948 -8.156 5.551
12 HA CYS 3 HA CYS 3 4.225 -6.632 3.213
13 HB2 CYS 3 2HB CYS 3 2.127 -6.184 4.457
14 HB3 CYS 3 3HB CYS 3 2.499 -7.900 4.337
15 HA PRO 4 HA PRO 4 5.702 -2.640 4.527
16 HB2 PRO 4 2HB PRO 4 3.957 -1.020 3.210
17 HB3 PRO 4 3HB PRO 4 5.225 -1.937 2.372
18 HG2 PRO 4 2HG PRO 4 2.333 -2.597 2.699
19 HG3 PRO 4 3HG PRO 4 3.336 -2.676 1.242
20 HD2 PRO 4 2HD PRO 4 2.788 -4.874 2.675
21 HD3 PRO 4 3HD PRO 4 4.361 -4.644 1.889
22 H GLY 5 H GLY 5 5.053 -0.602 5.573
23 HA2 GLY 5 2HA GLY 5 2.755 -0.976 7.393
24 HA3 GLY 5 3HA GLY 5 4.226 -0.112 7.818
25 H GLU 6 H GLU 6 2.844 1.687 8.420
26 HA GLU 6 HA GLU 6 1.284 3.032 6.406
27 HB2 GLU 6 2HB GLU 6 0.753 3.029 8.871
28 HB3 GLU 6 3HB GLU 6 2.134 4.086 9.110
29 HG2 GLU 6 2HG GLU 6 1.083 5.784 7.696
30 HG3 GLU 6 3HG GLU 6 -0.303 4.724 7.450
31 H GLY 7 H GLY 7 2.010 4.373 4.916
32 HA2 GLY 7 2HA GLY 7 3.165 6.266 4.116
33 HA3 GLY 7 3HA GLY 7 4.260 6.155 5.483
34 H GLU 8 H GLU 8 3.478 3.429 3.423
35 HA GLU 8 HA GLU 8 6.134 3.594 2.166
36 HB2 GLU 8 2HB GLU 8 5.718 1.873 4.155
37 HB3 GLU 8 3HB GLU 8 5.013 0.917 2.861
38 HG2 GLU 8 2HG GLU 8 7.111 1.035 1.620
39 HG3 GLU 8 3HG GLU 8 7.820 2.005 2.909
40 H GLN 9 H GLN 9 6.288 2.095 0.225
41 HA GLN 9 HA GLN 9 4.036 2.601 -1.499
42 HB2 GLN 9 2HB GLN 9 6.534 2.777 -2.097
43 HB3 GLN 9 3HB GLN 9 6.491 1.028 -2.248
44 HG2 GLN 9 2HG GLN 9 4.766 1.216 -3.970
45 HG3 GLN 9 3HG GLN 9 4.811 2.973 -3.821
46 HE21 GLN 9 1HE2 GLN 9 6.585 4.104 -4.606
47 HE22 GLN 9 2HE2 GLN 9 7.715 3.398 -5.706
48 H CYS 10 H CYS 10 2.539 1.249 -2.197
49 HA CYS 10 HA CYS 10 2.792 -1.626 -1.609
50 HB2 CYS 10 2HB CYS 10 0.246 -1.564 -1.350
51 HB3 CYS 10 3HB CYS 10 1.189 -0.856 -0.043
52 H ASP 11 H ASP 11 2.663 -2.879 -3.357
53 HA ASP 11 HA ASP 11 1.587 -1.695 -5.819
54 HB2 ASP 11 2HB ASP 11 2.851 -3.524 -7.002
55 HB3 ASP 11 3HB ASP 11 3.851 -2.360 -6.150
56 H VAL 12 H VAL 12 0.364 -3.002 -7.289
57 HA VAL 12 HA VAL 12 -1.619 -4.596 -5.900
58 HB VAL 12 HB VAL 12 -2.778 -4.615 -8.170
59 HG11 VAL 12 1HG1 VAL 12 -3.529 -2.282 -7.965
60 HG12 VAL 12 2HG1 VAL 12 -2.191 -1.968 -6.860
61 HG13 VAL 12 3HG1 VAL 12 -3.456 -3.111 -6.409
62 HG21 VAL 12 3HG2 VAL 12 -2.086 -2.918 -9.805
63 HG22 VAL 12 1HG2 VAL 12 -0.855 -4.167 -9.609
64 HG23 VAL 12 2HG2 VAL 12 -0.640 -2.589 -8.851
65 H GLU 13 H GLU 13 1.224 -5.565 -6.679
66 HA GLU 13 HA GLU 13 0.502 -7.916 -8.268
67 HB2 GLU 13 2HB GLU 13 3.159 -6.695 -7.545
68 HB3 GLU 13 3HB GLU 13 3.032 -8.302 -8.246
69 HG2 GLU 13 2HG GLU 13 1.927 -7.360 -10.211
70 HG3 GLU 13 3HG GLU 13 2.052 -5.748 -9.507
71 H PHE 14 H PHE 14 2.611 -7.358 -5.399
72 HA PHE 14 HA PHE 14 1.323 -9.571 -4.018
73 HB2 PHE 14 2HB PHE 14 3.353 -10.324 -5.563
74 HB3 PHE 14 3HB PHE 14 4.298 -9.778 -4.182
75 HD1 PHE 14 HD2 PHE 14 1.855 -12.224 -5.379
76 HD2 PHE 14 HD1 PHE 14 4.263 -10.975 -2.102
77 HE1 PHE 14 HE2 PHE 14 1.446 -14.383 -4.259
78 HE2 PHE 14 HE1 PHE 14 3.861 -13.126 -0.977
79 HZ PHE 14 HZ PHE 14 2.451 -14.832 -2.053
80 H ASN 15 H ASN 15 2.573 -6.536 -3.855
81 HA ASN 15 HA ASN 15 3.288 -6.843 -1.014
82 HB2 ASN 15 2HB ASN 15 5.087 -6.069 -2.740
83 HB3 ASN 15 3HB ASN 15 4.260 -4.518 -2.644
84 HD21 ASN 15 1HD2 ASN 15 4.316 -3.352 -0.724
85 HD22 ASN 15 2HD2 ASN 15 5.459 -3.695 0.526
86 HA PRO 16 HA PRO 16 -0.299 -3.918 -0.970
87 HB2 PRO 16 2HB PRO 16 -2.034 -5.671 0.360
88 HB3 PRO 16 3HB PRO 16 -2.003 -5.388 -1.388
89 HG2 PRO 16 2HG PRO 16 -1.362 -7.788 -0.056
90 HG3 PRO 16 3HG PRO 16 -1.135 -7.422 -1.775
91 HD2 PRO 16 2HD PRO 16 0.845 -7.352 0.442
92 HD3 PRO 16 3HD PRO 16 1.083 -7.715 -1.281
93 H CYS 17 H CYS 17 -1.532 -3.073 0.992
94 HA CYS 17 HA CYS 17 0.242 -2.983 3.275
95 HB2 CYS 17 2HB CYS 17 -2.477 -1.677 3.056
96 HB3 CYS 17 3HB CYS 17 -1.145 -1.213 4.106
97 H CYS 18 H CYS 18 0.146 -4.352 4.941
98 HA CYS 18 HA CYS 18 -2.135 -6.100 5.264
99 HB2 CYS 18 2HB CYS 18 -0.757 -7.242 6.976
100 HB3 CYS 18 3HB CYS 18 0.025 -7.131 5.406
101 HA PRO 19 HA PRO 19 -2.490 -3.837 9.494
102 HB2 PRO 19 2HB PRO 19 -1.303 -1.212 9.362
103 HB3 PRO 19 3HB PRO 19 -0.807 -2.574 10.372
104 HG2 PRO 19 2HG PRO 19 0.707 -1.543 8.344
105 HG3 PRO 19 3HG PRO 19 0.842 -3.202 8.958
106 HD2 PRO 19 2HD PRO 19 -0.579 -2.202 6.525
107 HD3 PRO 19 3HD PRO 19 0.401 -3.670 6.740
108 HA PRO 20 HA PRO 20 -6.013 -1.266 8.427
109 HB2 PRO 20 2HB PRO 20 -5.511 0.773 10.521
110 HB3 PRO 20 3HB PRO 20 -6.891 -0.323 10.322
111 HG2 PRO 20 2HG PRO 20 -5.136 -0.705 12.265
112 HG3 PRO 20 3HG PRO 20 -5.835 -2.076 11.378
113 HD2 PRO 20 2HD PRO 20 -3.145 -0.800 11.048
114 HD3 PRO 20 3HD PRO 20 -3.574 -2.523 11.100
115 H LEU 21 H LEU 21 -4.274 -0.675 6.611
116 HA LEU 21 HA LEU 21 -4.498 2.227 6.199
117 HB2 LEU 21 2HB LEU 21 -2.052 0.553 5.596
118 HB3 LEU 21 3HB LEU 21 -2.294 2.184 5.020
119 HG LEU 21 HG LEU 21 -0.818 2.426 6.798
120 HD11 LEU 21 1HD1 LEU 21 -2.673 4.003 7.010
121 HD12 LEU 21 2HD1 LEU 21 -1.948 3.606 8.567
122 HD13 LEU 21 3HD1 LEU 21 -3.487 2.885 8.105
123 HD21 LEU 21 3HD2 LEU 21 -2.486 0.505 8.394
124 HD22 LEU 21 1HD2 LEU 21 -1.057 1.356 8.984
125 HD23 LEU 21 2HD2 LEU 21 -0.908 0.191 7.667
126 H THR 22 H THR 22 -4.436 2.855 3.949
127 HA THR 22 HA THR 22 -5.437 0.739 2.168
128 HB THR 22 HB THR 22 -7.211 2.293 2.639
129 HG1 THR 22 HG1 THR 22 -7.732 2.844 0.539
130 HG21 THR 22 3HG2 THR 22 -7.101 4.672 2.139
131 HG22 THR 22 1HG2 THR 22 -5.409 4.504 1.669
132 HG23 THR 22 2HG2 THR 22 -5.890 4.231 3.342
133 H CYS 23 H CYS 23 -4.998 1.044 -0.148
134 HA CYS 23 HA CYS 23 -2.284 2.072 -0.537
135 HB2 CYS 23 2HB CYS 23 -3.048 -0.338 -1.113
136 HB3 CYS 23 3HB CYS 23 -3.797 0.403 -2.522
137 H ILE 24 H ILE 24 -2.309 4.155 -1.096
138 HA ILE 24 HA ILE 24 -3.947 4.960 -3.395
139 HB ILE 24 HB ILE 24 -3.315 6.838 -1.108
140 HG12 ILE 24 2HG1 ILE 24 -5.991 5.536 -1.628
141 HG13 ILE 24 3HG1 ILE 24 -4.844 4.923 -0.460
142 HG21 ILE 24 1HG2 ILE 24 -4.974 8.295 -2.143
143 HG22 ILE 24 2HG2 ILE 24 -5.279 7.088 -3.392
144 HG23 ILE 24 3HG2 ILE 24 -3.708 7.886 -3.301
145 HD11 ILE 24 3HD1 ILE 24 -6.180 7.618 -0.400
146 HD12 ILE 24 1HD1 ILE 24 -4.982 7.053 0.761
147 HD13 ILE 24 2HD1 ILE 24 -6.540 6.242 0.640
148 HA PRO 25 HA PRO 25 -3.971 6.278 -5.133
149 HB2 PRO 25 2HB PRO 25 -2.919 5.848 -7.625
150 HB3 PRO 25 3HB PRO 25 -2.986 7.449 -6.860
151 HG2 PRO 25 2HG PRO 25 -0.698 5.543 -7.037
152 HG3 PRO 25 3HG PRO 25 -0.719 7.302 -7.264
153 HD2 PRO 25 2HD PRO 25 0.126 6.183 -4.967
154 HD3 PRO 25 3HD PRO 25 -0.728 7.734 -4.994
155 H GLY 26 H GLY 26 -1.420 3.918 -6.087
156 HA2 GLY 26 2HA GLY 26 -1.516 1.591 -6.002
157 HA3 GLY 26 3HA GLY 26 -3.187 1.699 -5.476
158 H ASP 27 H ASP 27 -1.885 3.241 -8.369
159 HA ASP 27 HA ASP 27 -3.170 1.225 -10.064
160 HB2 ASP 27 2HB ASP 27 -3.818 4.174 -10.120
161 HB3 ASP 27 3HB ASP 27 -4.194 3.084 -11.450
162 HA PRO 28 HA PRO 28 -1.769 -0.229 -10.362
163 HB2 PRO 28 2HB PRO 28 0.935 -1.113 -10.723
164 HB3 PRO 28 3HB PRO 28 -0.485 -1.544 -11.689
165 HG2 PRO 28 2HG PRO 28 1.644 -0.078 -12.618
166 HG3 PRO 28 3HG PRO 28 0.016 -0.057 -13.317
167 HD2 PRO 28 2HD PRO 28 1.299 1.911 -11.474
168 HD3 PRO 28 3HD PRO 28 0.210 2.192 -12.847
169 H TYR 29 H TYR 29 1.142 1.623 -9.575
170 HA TYR 29 HA TYR 29 1.483 0.301 -7.008
171 HB2 TYR 29 2HB TYR 29 3.015 2.566 -8.299
172 HB3 TYR 29 3HB TYR 29 3.439 1.820 -6.766
173 HD1 TYR 29 HD2 TYR 29 3.202 1.242 -10.410
174 HD2 TYR 29 HD1 TYR 29 4.617 -0.249 -6.686
175 HE1 TYR 29 HE2 TYR 29 4.542 -0.438 -11.602
176 HE2 TYR 29 HE1 TYR 29 5.964 -1.934 -7.867
177 HH TYR 29 HH TYR 29 6.539 -1.815 -11.209
178 H GLY 30 H GLY 30 1.498 1.414 -4.998
179 HA2 GLY 30 2HA GLY 30 0.288 4.055 -4.895
180 HA3 GLY 30 3HA GLY 30 -0.648 2.753 -4.197
181 H ILE 31 H ILE 31 -0.428 4.185 -2.281
182 HA ILE 31 HA ILE 31 1.962 3.430 -0.725
183 HB ILE 31 HB ILE 31 0.635 6.120 -0.394
184 HG12 ILE 31 2HG1 ILE 31 1.536 6.123 -2.675
185 HG13 ILE 31 3HG1 ILE 31 2.450 7.207 -1.642
186 HG21 ILE 31 1HG2 ILE 31 1.894 5.389 1.526
187 HG22 ILE 31 2HG2 ILE 31 2.717 6.748 0.759
188 HG23 ILE 31 3HG2 ILE 31 3.320 5.107 0.525
189 HD11 ILE 31 3HD1 ILE 31 3.308 4.493 -2.635
190 HD12 ILE 31 1HD1 ILE 31 4.217 5.463 -1.476
191 HD13 ILE 31 2HD1 ILE 31 3.954 6.062 -3.114
192 H CYS 32 H CYS 32 1.566 3.281 1.582
193 HA CYS 32 HA CYS 32 -1.156 2.456 2.187
194 HB2 CYS 32 2HB CYS 32 1.362 2.302 3.857
195 HB3 CYS 32 3HB CYS 32 -0.187 1.606 4.303
196 H TYR 33 H TYR 33 -2.453 4.200 2.495
197 HA TYR 33 HA TYR 33 -1.570 6.260 4.408
198 HB2 TYR 33 2HB TYR 33 -3.411 6.264 2.062
199 HB3 TYR 33 3HB TYR 33 -3.717 7.406 3.363
200 HD1 TYR 33 HD1 TYR 33 -1.828 9.000 4.019
201 HD2 TYR 33 HD2 TYR 33 -1.775 6.720 0.422
202 HE1 TYR 33 HE1 TYR 33 -0.167 10.543 3.067
203 HE2 TYR 33 HE2 TYR 33 -0.118 8.258 -0.534
204 HH TYR 33 HH TYR 33 1.568 10.538 1.329
205 H ILE 34 H ILE 34 -3.085 7.063 5.970
206 HA ILE 34 HA ILE 34 -4.811 4.957 7.011
207 HB ILE 34 HB ILE 34 -3.117 6.032 8.496
208 HG12 ILE 34 2HG1 ILE 34 -5.770 6.683 9.706
209 HG13 ILE 34 3HG1 ILE 34 -5.477 5.032 9.185
210 HG21 ILE 34 1HG2 ILE 34 -4.876 8.478 8.300
211 HG22 ILE 34 2HG2 ILE 34 -3.220 8.325 7.713
212 HG23 ILE 34 3HG2 ILE 34 -3.551 8.259 9.444
213 HD11 ILE 34 3HD1 ILE 34 -3.818 6.575 11.170
214 HD12 ILE 34 1HD1 ILE 34 -3.520 4.919 10.643
215 HD13 ILE 34 2HD1 ILE 34 -4.985 5.307 11.544
216 H ILE 35 H ILE 35 -6.971 5.035 7.086
217 HA ILE 35 HA ILE 35 -8.322 7.534 6.332
218 HB ILE 35 HB ILE 35 -10.071 6.068 5.165
219 HG12 ILE 35 2HG1 ILE 35 -8.548 4.076 4.056
220 HG13 ILE 35 3HG1 ILE 35 -7.988 4.049 5.725
221 HG21 ILE 35 1HG2 ILE 35 -8.834 6.124 3.051
222 HG22 ILE 35 2HG2 ILE 35 -7.337 6.393 3.945
223 HG23 ILE 35 3HG2 ILE 35 -8.620 7.603 3.988
224 HD11 ILE 35 3HD1 ILE 35 -10.283 3.752 6.490
225 HD12 ILE 35 1HD1 ILE 35 -9.801 2.476 5.372
226 HD13 ILE 35 2HD1 ILE 35 -10.846 3.785 4.819
Start of MODEL 11
1 H1 PCA 1 H1 PCA 1 7.321 -13.842 5.124
2 HA PCA 1 HA PCA 1 7.114 -12.493 2.838
3 HB2 PCA 1 3HB PCA 1 4.900 -13.159 2.281
4 HB3 PCA 1 2HB PCA 1 4.425 -11.764 3.326
5 HG2 PCA 1 3HG PCA 1 3.657 -13.901 4.256
6 HG3 PCA 1 2HG PCA 1 4.215 -14.672 2.760
7 H ASP 2 H ASP 2 7.233 -10.252 3.056
8 HA ASP 2 HA ASP 2 6.835 -9.161 5.758
9 HB2 ASP 2 2HB ASP 2 9.056 -8.597 3.786
10 HB3 ASP 2 3HB ASP 2 8.728 -7.567 5.175
11 H CYS 3 H CYS 3 4.935 -8.180 5.533
12 HA CYS 3 HA CYS 3 4.226 -6.632 3.214
13 HB2 CYS 3 2HB CYS 3 2.129 -6.184 4.458
14 HB3 CYS 3 3HB CYS 3 2.501 -7.901 4.337
15 HA PRO 4 HA PRO 4 5.705 -2.642 4.533
16 HB2 PRO 4 2HB PRO 4 3.963 -1.020 3.216
17 HB3 PRO 4 3HB PRO 4 5.230 -1.938 2.379
18 HG2 PRO 4 2HG PRO 4 2.337 -2.594 2.705
19 HG3 PRO 4 3HG PRO 4 3.340 -2.674 1.247
20 HD2 PRO 4 2HD PRO 4 2.789 -4.871 2.679
21 HD3 PRO 4 3HD PRO 4 4.362 -4.642 1.892
22 H GLY 5 H GLY 5 5.052 -0.601 5.574
23 HA2 GLY 5 2HA GLY 5 2.755 -0.974 7.396
24 HA3 GLY 5 3HA GLY 5 4.225 -0.107 7.819
25 H GLU 6 H GLU 6 2.845 1.693 8.417
26 HA GLU 6 HA GLU 6 1.283 3.033 6.401
27 HB2 GLU 6 2HB GLU 6 0.757 3.036 8.867
28 HB3 GLU 6 3HB GLU 6 2.137 4.096 9.102
29 HG2 GLU 6 2HG GLU 6 1.079 5.786 7.682
30 HG3 GLU 6 3HG GLU 6 -0.306 4.724 7.444
31 H GLY 7 H GLY 7 2.007 4.370 4.908
32 HA2 GLY 7 2HA GLY 7 3.162 6.256 4.094
33 HA3 GLY 7 3HA GLY 7 4.255 6.157 5.464
34 H GLU 8 H GLU 8 3.466 3.439 3.385
35 HA GLU 8 HA GLU 8 6.134 3.589 2.150
36 HB2 GLU 8 2HB GLU 8 5.693 1.865 4.137
37 HB3 GLU 8 3HB GLU 8 5.007 0.914 2.830
38 HG2 GLU 8 2HG GLU 8 7.119 1.039 1.615
39 HG3 GLU 8 3HG GLU 8 7.810 2.006 2.918
40 H GLN 9 H GLN 9 6.294 2.084 0.213
41 HA GLN 9 HA GLN 9 4.055 2.596 -1.528
42 HB2 GLN 9 2HB GLN 9 6.555 2.770 -2.110
43 HB3 GLN 9 3HB GLN 9 6.518 1.019 -2.249
44 HG2 GLN 9 2HG GLN 9 4.768 1.219 -3.973
45 HG3 GLN 9 3HG GLN 9 4.891 2.975 -3.863
46 HE21 GLN 9 1HE2 GLN 9 6.453 0.048 -4.897
47 HE22 GLN 9 2HE2 GLN 9 7.657 0.797 -5.884
48 H CYS 10 H CYS 10 2.532 1.254 -2.180
49 HA CYS 10 HA CYS 10 2.793 -1.625 -1.608
50 HB2 CYS 10 2HB CYS 10 0.246 -1.560 -1.348
51 HB3 CYS 10 3HB CYS 10 1.191 -0.854 -0.042
52 H ASP 11 H ASP 11 2.663 -2.878 -3.356
53 HA ASP 11 HA ASP 11 1.586 -1.696 -5.818
54 HB2 ASP 11 2HB ASP 11 2.852 -3.523 -7.002
55 HB3 ASP 11 3HB ASP 11 3.852 -2.360 -6.147
56 H VAL 12 H VAL 12 0.363 -3.003 -7.286
57 HA VAL 12 HA VAL 12 -1.619 -4.598 -5.896
58 HB VAL 12 HB VAL 12 -2.781 -4.616 -8.163
59 HG11 VAL 12 1HG1 VAL 12 -3.529 -2.282 -7.956
60 HG12 VAL 12 2HG1 VAL 12 -2.188 -1.967 -6.856
61 HG13 VAL 12 3HG1 VAL 12 -3.453 -3.110 -6.401
62 HG21 VAL 12 3HG2 VAL 12 -2.090 -2.919 -9.800
63 HG22 VAL 12 1HG2 VAL 12 -0.861 -4.169 -9.606
64 HG23 VAL 12 2HG2 VAL 12 -0.642 -2.592 -8.849
65 H GLU 13 H GLU 13 1.225 -5.565 -6.682
66 HA GLU 13 HA GLU 13 0.502 -7.914 -8.273
67 HB2 GLU 13 2HB GLU 13 3.158 -6.694 -7.547
68 HB3 GLU 13 3HB GLU 13 3.032 -8.300 -8.250
69 HG2 GLU 13 2HG GLU 13 1.928 -7.356 -10.215
70 HG3 GLU 13 3HG GLU 13 2.052 -5.744 -9.508
71 H PHE 14 H PHE 14 2.604 -7.356 -5.398
72 HA PHE 14 HA PHE 14 1.318 -9.573 -4.022
73 HB2 PHE 14 2HB PHE 14 3.349 -10.324 -5.568
74 HB3 PHE 14 3HB PHE 14 4.293 -9.780 -4.186
75 HD1 PHE 14 HD2 PHE 14 1.848 -12.224 -5.385
76 HD2 PHE 14 HD1 PHE 14 4.259 -10.980 -2.108
77 HE1 PHE 14 HE2 PHE 14 1.439 -14.383 -4.268
78 HE2 PHE 14 HE1 PHE 14 3.857 -13.132 -0.985
79 HZ PHE 14 HZ PHE 14 2.445 -14.836 -2.064
80 H ASN 15 H ASN 15 2.571 -6.537 -3.857
81 HA ASN 15 HA ASN 15 3.285 -6.848 -1.016
82 HB2 ASN 15 2HB ASN 15 5.084 -6.072 -2.741
83 HB3 ASN 15 3HB ASN 15 4.259 -4.521 -2.642
84 HD21 ASN 15 1HD2 ASN 15 4.317 -3.358 -0.720
85 HD22 ASN 15 2HD2 ASN 15 5.460 -3.705 0.529
86 HA PRO 16 HA PRO 16 -0.300 -3.919 -0.970
87 HB2 PRO 16 2HB PRO 16 -2.037 -5.669 0.360
88 HB3 PRO 16 3HB PRO 16 -2.002 -5.392 -1.387
89 HG2 PRO 16 2HG PRO 16 -1.362 -7.788 -0.044
90 HG3 PRO 16 3HG PRO 16 -1.140 -7.429 -1.765
91 HD2 PRO 16 2HD PRO 16 0.847 -7.354 0.445
92 HD3 PRO 16 3HD PRO 16 1.080 -7.718 -1.280
93 H CYS 17 H CYS 17 -1.533 -3.075 0.994
94 HA CYS 17 HA CYS 17 0.242 -2.984 3.277
95 HB2 CYS 17 2HB CYS 17 -2.478 -1.679 3.058
96 HB3 CYS 17 3HB CYS 17 -1.144 -1.214 4.107
97 H CYS 18 H CYS 18 0.146 -4.352 4.942
98 HA CYS 18 HA CYS 18 -2.135 -6.101 5.266
99 HB2 CYS 18 2HB CYS 18 -0.756 -7.242 6.978
100 HB3 CYS 18 3HB CYS 18 0.025 -7.131 5.408
101 HA PRO 19 HA PRO 19 -2.489 -3.836 9.496
102 HB2 PRO 19 2HB PRO 19 -1.302 -1.212 9.363
103 HB3 PRO 19 3HB PRO 19 -0.806 -2.575 10.372
104 HG2 PRO 19 2HG PRO 19 0.705 -1.540 8.342
105 HG3 PRO 19 3HG PRO 19 0.844 -3.198 8.957
106 HD2 PRO 19 2HD PRO 19 -0.578 -2.203 6.523
107 HD3 PRO 19 3HD PRO 19 0.402 -3.670 6.740
108 HA PRO 20 HA PRO 20 -6.013 -1.265 8.426
109 HB2 PRO 20 2HB PRO 20 -5.511 0.773 10.521
110 HB3 PRO 20 3HB PRO 20 -6.890 -0.323 10.322
111 HG2 PRO 20 2HG PRO 20 -5.136 -0.705 12.264
112 HG3 PRO 20 3HG PRO 20 -5.835 -2.075 11.378
113 HD2 PRO 20 2HD PRO 20 -3.144 -0.800 11.048
114 HD3 PRO 20 3HD PRO 20 -3.574 -2.523 11.100
115 H LEU 21 H LEU 21 -4.275 -0.675 6.610
116 HA LEU 21 HA LEU 21 -4.499 2.226 6.199
117 HB2 LEU 21 2HB LEU 21 -2.053 0.554 5.593
118 HB3 LEU 21 3HB LEU 21 -2.296 2.185 5.020
119 HG LEU 21 HG LEU 21 -0.818 2.426 6.797
120 HD11 LEU 21 1HD1 LEU 21 -1.946 3.605 8.567
121 HD12 LEU 21 2HD1 LEU 21 -3.486 2.883 8.108
122 HD13 LEU 21 3HD1 LEU 21 -2.675 4.001 7.011
123 HD21 LEU 21 3HD2 LEU 21 -1.049 1.351 8.980
124 HD22 LEU 21 1HD2 LEU 21 -0.915 0.187 7.662
125 HD23 LEU 21 2HD2 LEU 21 -2.486 0.508 8.399
126 H THR 22 H THR 22 -4.441 2.856 3.950
127 HA THR 22 HA THR 22 -5.438 0.738 2.168
128 HB THR 22 HB THR 22 -7.215 2.290 2.640
129 HG1 THR 22 HG1 THR 22 -7.803 2.503 0.595
130 HG21 THR 22 3HG2 THR 22 -5.415 4.504 1.670
131 HG22 THR 22 1HG2 THR 22 -5.899 4.230 3.343
132 HG23 THR 22 2HG2 THR 22 -7.108 4.670 2.138
133 H CYS 23 H CYS 23 -4.997 1.043 -0.147
134 HA CYS 23 HA CYS 23 -2.286 2.076 -0.534
135 HB2 CYS 23 2HB CYS 23 -3.044 -0.334 -1.111
136 HB3 CYS 23 3HB CYS 23 -3.794 0.404 -2.520
137 H ILE 24 H ILE 24 -2.312 4.158 -1.093
138 HA ILE 24 HA ILE 24 -3.951 4.962 -3.394
139 HB ILE 24 HB ILE 24 -3.322 6.841 -1.105
140 HG12 ILE 24 2HG1 ILE 24 -5.996 5.537 -1.626
141 HG13 ILE 24 3HG1 ILE 24 -4.849 4.923 -0.460
142 HG21 ILE 24 1HG2 ILE 24 -5.285 7.089 -3.392
143 HG22 ILE 24 2HG2 ILE 24 -3.715 7.888 -3.299
144 HG23 ILE 24 3HG2 ILE 24 -4.980 8.296 -2.141
145 HD11 ILE 24 3HD1 ILE 24 -4.987 7.055 0.762
146 HD12 ILE 24 1HD1 ILE 24 -6.545 6.241 0.642
147 HD13 ILE 24 2HD1 ILE 24 -6.187 7.618 -0.397
148 HA PRO 25 HA PRO 25 -3.974 6.279 -5.132
149 HB2 PRO 25 2HB PRO 25 -2.919 5.850 -7.623
150 HB3 PRO 25 3HB PRO 25 -2.989 7.450 -6.858
151 HG2 PRO 25 2HG PRO 25 -0.698 5.547 -7.032
152 HG3 PRO 25 3HG PRO 25 -0.722 7.306 -7.260
153 HD2 PRO 25 2HD PRO 25 0.122 6.188 -4.962
154 HD3 PRO 25 3HD PRO 25 -0.733 7.739 -4.990
155 H GLY 26 H GLY 26 -1.419 3.921 -6.083
156 HA2 GLY 26 2HA GLY 26 -1.512 1.595 -5.997
157 HA3 GLY 26 3HA GLY 26 -3.184 1.701 -5.473
158 H ASP 27 H ASP 27 -1.879 3.242 -8.366
159 HA ASP 27 HA ASP 27 -3.161 1.224 -10.060
160 HB2 ASP 27 2HB ASP 27 -3.808 4.172 -10.120
161 HB3 ASP 27 3HB ASP 27 -4.180 3.081 -11.451
162 HA PRO 28 HA PRO 28 -1.760 -0.231 -10.353
163 HB2 PRO 28 2HB PRO 28 0.944 -1.119 -10.708
164 HB3 PRO 28 3HB PRO 28 -0.474 -1.548 -11.678
165 HG2 PRO 28 2HG PRO 28 1.659 -0.084 -12.601
166 HG3 PRO 28 3HG PRO 28 0.033 -0.065 -13.306
167 HD2 PRO 28 2HD PRO 28 1.310 1.906 -11.462
168 HD3 PRO 28 3HD PRO 28 0.225 2.185 -12.839
169 H TYR 29 H TYR 29 1.152 1.620 -9.565
170 HA TYR 29 HA TYR 29 1.489 0.304 -6.995
171 HB2 TYR 29 2HB TYR 29 3.020 2.568 -8.289
172 HB3 TYR 29 3HB TYR 29 3.443 1.824 -6.754
173 HD1 TYR 29 HD2 TYR 29 3.216 1.246 -10.398
174 HD2 TYR 29 HD1 TYR 29 4.618 -0.248 -6.671
175 HE1 TYR 29 HE2 TYR 29 4.557 -0.435 -11.586
176 HE2 TYR 29 HE1 TYR 29 5.967 -1.934 -7.848
177 HH TYR 29 HH TYR 29 5.992 -3.082 -10.023
178 H GLY 30 H GLY 30 1.501 1.419 -4.987
179 HA2 GLY 30 2HA GLY 30 0.289 4.060 -4.890
180 HA3 GLY 30 3HA GLY 30 -0.647 2.759 -4.192
181 H ILE 31 H ILE 31 -0.430 4.192 -2.276
182 HA ILE 31 HA ILE 31 1.958 3.438 -0.718
183 HB ILE 31 HB ILE 31 0.628 6.127 -0.388
184 HG12 ILE 31 2HG1 ILE 31 1.533 6.133 -2.666
185 HG13 ILE 31 3HG1 ILE 31 2.445 7.216 -1.632
186 HG21 ILE 31 1HG2 ILE 31 3.311 5.115 0.537
187 HG22 ILE 31 2HG2 ILE 31 1.886 5.398 1.535
188 HG23 ILE 31 3HG2 ILE 31 2.708 6.757 0.768
189 HD11 ILE 31 3HD1 ILE 31 4.213 5.470 -1.465
190 HD12 ILE 31 1HD1 ILE 31 3.951 6.071 -3.104
191 HD13 ILE 31 2HD1 ILE 31 3.304 4.502 -2.627
192 H CYS 32 H CYS 32 1.560 3.285 1.585
193 HA CYS 32 HA CYS 32 -1.162 2.457 2.189
194 HB2 CYS 32 2HB CYS 32 1.356 2.303 3.860
195 HB3 CYS 32 3HB CYS 32 -0.194 1.605 4.303
196 H TYR 33 H TYR 33 -2.458 4.203 2.495
197 HA TYR 33 HA TYR 33 -1.577 6.261 4.411
198 HB2 TYR 33 2HB TYR 33 -3.418 6.264 2.064
199 HB3 TYR 33 3HB TYR 33 -3.726 7.405 3.367
200 HD1 TYR 33 HD2 TYR 33 -1.843 9.004 4.021
201 HD2 TYR 33 HD1 TYR 33 -1.780 6.721 0.426
202 HE1 TYR 33 HE2 TYR 33 -0.183 10.549 3.072
203 HE2 TYR 33 HE1 TYR 33 -0.127 8.263 -0.529
204 HH TYR 33 HH TYR 33 1.555 10.545 1.333
205 H ILE 34 H ILE 34 -3.094 7.064 5.972
206 HA ILE 34 HA ILE 34 -4.814 4.955 7.015
207 HB ILE 34 HB ILE 34 -3.122 6.036 8.499
208 HG12 ILE 34 2HG1 ILE 34 -5.777 6.677 9.711
209 HG13 ILE 34 3HG1 ILE 34 -5.479 5.027 9.189
210 HG21 ILE 34 1HG2 ILE 34 -3.234 8.327 7.716
211 HG22 ILE 34 2HG2 ILE 34 -3.562 8.261 9.446
212 HG23 ILE 34 3HG2 ILE 34 -4.890 8.475 8.306
213 HD11 ILE 34 3HD1 ILE 34 -4.987 5.303 11.548
214 HD12 ILE 34 1HD1 ILE 34 -3.824 6.575 11.173
215 HD13 ILE 34 2HD1 ILE 34 -3.521 4.919 10.646
216 H ILE 35 H ILE 35 -6.973 5.030 7.096
217 HA ILE 35 HA ILE 35 -8.333 7.525 6.344
218 HB ILE 35 HB ILE 35 -10.078 6.053 5.176
219 HG12 ILE 35 2HG1 ILE 35 -8.548 4.067 4.065
220 HG13 ILE 35 3HG1 ILE 35 -7.990 4.041 5.735
221 HG21 ILE 35 1HG2 ILE 35 -8.841 6.114 3.063
222 HG22 ILE 35 2HG2 ILE 35 -7.347 6.391 3.956
223 HG23 ILE 35 3HG2 ILE 35 -8.636 7.594 3.999
224 HD11 ILE 35 3HD1 ILE 35 -10.844 3.767 4.825
225 HD12 ILE 35 1HD1 ILE 35 -10.286 3.737 6.497
226 HD13 ILE 35 2HD1 ILE 35 -9.796 2.463 5.381
Start of MODEL 12
1 H1 PCA 1 H1 PCA 1 7.858 -14.088 4.201
2 HA PCA 1 HA PCA 1 7.187 -12.387 2.690
3 HB2 PCA 1 3HB PCA 1 4.995 -13.177 2.214
4 HB3 PCA 1 2HB PCA 1 4.484 -11.853 3.333
5 HG2 PCA 1 3HG PCA 1 3.903 -14.067 4.216
6 HG3 PCA 1 2HG PCA 1 4.435 -14.748 2.666
7 H ASP 2 H ASP 2 7.281 -10.177 3.006
8 HA ASP 2 HA ASP 2 6.829 -9.172 5.732
9 HB2 ASP 2 2HB ASP 2 9.088 -8.526 3.827
10 HB3 ASP 2 3HB ASP 2 8.713 -7.538 5.235
11 H CYS 3 H CYS 3 4.937 -8.188 5.507
12 HA CYS 3 HA CYS 3 4.228 -6.622 3.204
13 HB2 CYS 3 2HB CYS 3 2.133 -6.183 4.450
14 HB3 CYS 3 3HB CYS 3 2.508 -7.899 4.330
15 HA PRO 4 HA PRO 4 5.705 -2.634 4.529
16 HB2 PRO 4 2HB PRO 4 3.961 -1.011 3.215
17 HB3 PRO 4 3HB PRO 4 5.229 -1.927 2.376
18 HG2 PRO 4 2HG PRO 4 2.337 -2.586 2.702
19 HG3 PRO 4 3HG PRO 4 3.339 -2.662 1.244
20 HD2 PRO 4 2HD PRO 4 2.791 -4.863 2.672
21 HD3 PRO 4 3HD PRO 4 4.364 -4.631 1.885
22 H GLY 5 H GLY 5 5.053 -0.598 5.577
23 HA2 GLY 5 2HA GLY 5 2.756 -0.975 7.397
24 HA3 GLY 5 3HA GLY 5 4.226 -0.108 7.821
25 H GLU 6 H GLU 6 2.844 1.691 8.423
26 HA GLU 6 HA GLU 6 1.282 3.031 6.407
27 HB2 GLU 6 2HB GLU 6 0.749 3.029 8.870
28 HB3 GLU 6 3HB GLU 6 2.128 4.088 9.112
29 HG2 GLU 6 2HG GLU 6 1.077 5.784 7.696
30 HG3 GLU 6 3HG GLU 6 -0.309 4.724 7.450
31 H GLY 7 H GLY 7 2.007 4.371 4.916
32 HA2 GLY 7 2HA GLY 7 3.161 6.267 4.117
33 HA3 GLY 7 3HA GLY 7 4.256 6.159 5.484
34 H GLU 8 H GLU 8 3.478 3.430 3.424
35 HA GLU 8 HA GLU 8 6.134 3.600 2.166
36 HB2 GLU 8 2HB GLU 8 5.721 1.878 4.156
37 HB3 GLU 8 3HB GLU 8 5.020 0.922 2.861
38 HG2 GLU 8 2HG GLU 8 7.117 1.048 1.621
39 HG3 GLU 8 3HG GLU 8 7.823 2.016 2.914
40 H GLN 9 H GLN 9 6.289 2.102 0.225
41 HA GLN 9 HA GLN 9 4.035 2.602 -1.498
42 HB2 GLN 9 2HB GLN 9 6.533 2.781 -2.095
43 HB3 GLN 9 3HB GLN 9 6.493 1.031 -2.246
44 HG2 GLN 9 2HG GLN 9 4.766 1.218 -3.969
45 HG3 GLN 9 3HG GLN 9 4.812 2.975 -3.820
46 HE21 GLN 9 1HE2 GLN 9 6.585 4.104 -4.609
47 HE22 GLN 9 2HE2 GLN 9 7.713 3.396 -5.708
48 H CYS 10 H CYS 10 2.540 1.249 -2.198
49 HA CYS 10 HA CYS 10 2.796 -1.626 -1.607
50 HB2 CYS 10 2HB CYS 10 0.250 -1.566 -1.348
51 HB3 CYS 10 3HB CYS 10 1.193 -0.859 -0.041
52 H ASP 11 H ASP 11 2.666 -2.881 -3.355
53 HA ASP 11 HA ASP 11 1.590 -1.695 -5.818
54 HB2 ASP 11 2HB ASP 11 2.851 -3.527 -7.001
55 HB3 ASP 11 3HB ASP 11 3.853 -2.363 -6.150
56 H VAL 12 H VAL 12 0.365 -3.000 -7.287
57 HA VAL 12 HA VAL 12 -1.619 -4.592 -5.898
58 HB VAL 12 HB VAL 12 -2.781 -4.608 -8.165
59 HG11 VAL 12 1HG1 VAL 12 -3.452 -3.100 -6.404
60 HG12 VAL 12 2HG1 VAL 12 -3.525 -2.272 -7.960
61 HG13 VAL 12 3HG1 VAL 12 -2.184 -1.961 -6.858
62 HG21 VAL 12 3HG2 VAL 12 -0.861 -4.166 -9.608
63 HG22 VAL 12 1HG2 VAL 12 -0.638 -2.589 -8.851
64 HG23 VAL 12 2HG2 VAL 12 -2.087 -2.913 -9.803
65 H GLU 13 H GLU 13 1.222 -5.566 -6.679
66 HA GLU 13 HA GLU 13 0.495 -7.913 -8.271
67 HB2 GLU 13 2HB GLU 13 3.154 -6.699 -7.544
68 HB3 GLU 13 3HB GLU 13 3.024 -8.305 -8.248
69 HG2 GLU 13 2HG GLU 13 1.923 -7.355 -10.212
70 HG3 GLU 13 3HG GLU 13 2.049 -5.746 -9.503
71 H PHE 14 H PHE 14 2.602 -7.364 -5.398
72 HA PHE 14 HA PHE 14 1.308 -9.574 -4.021
73 HB2 PHE 14 2HB PHE 14 3.336 -10.332 -5.566
74 HB3 PHE 14 3HB PHE 14 4.282 -9.791 -4.184
75 HD1 PHE 14 HD2 PHE 14 1.833 -12.229 -5.389
76 HD2 PHE 14 HD1 PHE 14 4.238 -10.991 -2.105
77 HE1 PHE 14 HE2 PHE 14 1.416 -14.387 -4.275
78 HE2 PHE 14 HE1 PHE 14 3.828 -13.143 -0.984
79 HZ PHE 14 HZ PHE 14 2.415 -14.844 -2.067
80 H ASN 15 H ASN 15 2.566 -6.543 -3.857
81 HA ASN 15 HA ASN 15 3.282 -6.853 -1.016
82 HB2 ASN 15 2HB ASN 15 5.081 -6.081 -2.745
83 HB3 ASN 15 3HB ASN 15 4.258 -4.529 -2.643
84 HD21 ASN 15 1HD2 ASN 15 4.325 -3.364 -0.723
85 HD22 ASN 15 2HD2 ASN 15 5.468 -3.715 0.524
86 HA PRO 16 HA PRO 16 -0.298 -3.920 -0.970
87 HB2 PRO 16 2HB PRO 16 -2.037 -5.667 0.362
88 HB3 PRO 16 3HB PRO 16 -2.003 -5.390 -1.387
89 HG2 PRO 16 2HG PRO 16 -1.366 -7.786 -0.042
90 HG3 PRO 16 3HG PRO 16 -1.142 -7.429 -1.765
91 HD2 PRO 16 2HD PRO 16 0.844 -7.355 0.446
92 HD3 PRO 16 3HD PRO 16 1.076 -7.721 -1.279
93 H CYS 17 H CYS 17 -1.532 -3.075 0.994
94 HA CYS 17 HA CYS 17 0.244 -2.981 3.276
95 HB2 CYS 17 2HB CYS 17 -2.478 -1.679 3.057
96 HB3 CYS 17 3HB CYS 17 -1.145 -1.214 4.106
97 H CYS 18 H CYS 18 0.150 -4.350 4.943
98 HA CYS 18 HA CYS 18 -2.128 -6.103 5.267
99 HB2 CYS 18 2HB CYS 18 -0.746 -7.236 6.986
100 HB3 CYS 18 3HB CYS 18 0.029 -7.132 5.412
101 HA PRO 19 HA PRO 19 -2.488 -3.837 9.495
102 HB2 PRO 19 2HB PRO 19 -1.303 -1.210 9.364
103 HB3 PRO 19 3HB PRO 19 -0.807 -2.573 10.375
104 HG2 PRO 19 2HG PRO 19 0.708 -1.541 8.347
105 HG3 PRO 19 3HG PRO 19 0.843 -3.199 8.961
106 HD2 PRO 19 2HD PRO 19 -0.576 -2.202 6.527
107 HD3 PRO 19 3HD PRO 19 0.405 -3.669 6.743
108 HA PRO 20 HA PRO 20 -6.013 -1.268 8.423
109 HB2 PRO 20 2HB PRO 20 -5.515 0.769 10.519
110 HB3 PRO 20 3HB PRO 20 -6.894 -0.327 10.317
111 HG2 PRO 20 2HG PRO 20 -5.143 -0.710 12.263
112 HG3 PRO 20 3HG PRO 20 -5.839 -2.081 11.372
113 HD2 PRO 20 2HD PRO 20 -3.149 -0.801 11.049
114 HD3 PRO 20 3HD PRO 20 -3.576 -2.524 11.099
115 H LEU 21 H LEU 21 -4.276 -0.675 6.608
116 HA LEU 21 HA LEU 21 -4.500 2.225 6.197
117 HB2 LEU 21 2HB LEU 21 -2.053 0.553 5.594
118 HB3 LEU 21 3HB LEU 21 -2.295 2.184 5.019
119 HG LEU 21 HG LEU 21 -0.820 2.427 6.797
120 HD11 LEU 21 1HD1 LEU 21 -2.675 4.002 7.010
121 HD12 LEU 21 2HD1 LEU 21 -1.950 3.604 8.567
122 HD13 LEU 21 3HD1 LEU 21 -3.490 2.883 8.104
123 HD21 LEU 21 3HD2 LEU 21 -1.046 1.352 8.977
124 HD22 LEU 21 1HD2 LEU 21 -0.919 0.185 7.661
125 HD23 LEU 21 2HD2 LEU 21 -2.487 0.510 8.402
126 H THR 22 H THR 22 -4.436 2.854 3.948
127 HA THR 22 HA THR 22 -5.436 0.738 2.166
128 HB THR 22 HB THR 22 -7.212 2.292 2.637
129 HG1 THR 22 HG1 THR 22 -7.795 2.581 0.582
130 HG21 THR 22 3HG2 THR 22 -5.409 4.503 1.667
131 HG22 THR 22 1HG2 THR 22 -5.893 4.229 3.340
132 HG23 THR 22 2HG2 THR 22 -7.102 4.671 2.136
133 H CYS 23 H CYS 23 -4.996 1.041 -0.149
134 HA CYS 23 HA CYS 23 -2.283 2.072 -0.537
135 HB2 CYS 23 2HB CYS 23 -3.046 -0.339 -1.113
136 HB3 CYS 23 3HB CYS 23 -3.794 0.401 -2.523
137 H ILE 24 H ILE 24 -2.308 4.154 -1.095
138 HA ILE 24 HA ILE 24 -3.945 4.959 -3.396
139 HB ILE 24 HB ILE 24 -3.315 6.838 -1.108
140 HG12 ILE 24 2HG1 ILE 24 -5.991 5.535 -1.629
141 HG13 ILE 24 3HG1 ILE 24 -4.844 4.921 -0.461
142 HG21 ILE 24 1HG2 ILE 24 -4.974 8.293 -2.145
143 HG22 ILE 24 2HG2 ILE 24 -5.280 7.087 -3.394
144 HG23 ILE 24 3HG2 ILE 24 -3.708 7.883 -3.302
145 HD11 ILE 24 3HD1 ILE 24 -6.179 7.618 -0.400
146 HD12 ILE 24 1HD1 ILE 24 -4.982 7.051 0.761
147 HD13 ILE 24 2HD1 ILE 24 -6.540 6.241 0.638
148 HA PRO 25 HA PRO 25 -3.969 6.279 -5.133
149 HB2 PRO 25 2HB PRO 25 -2.914 5.851 -7.625
150 HB3 PRO 25 3HB PRO 25 -2.983 7.450 -6.858
151 HG2 PRO 25 2HG PRO 25 -0.695 5.543 -7.036
152 HG3 PRO 25 3HG PRO 25 -0.715 7.303 -7.262
153 HD2 PRO 25 2HD PRO 25 0.128 6.183 -4.965
154 HD3 PRO 25 3HD PRO 25 -0.726 7.734 -4.992
155 H GLY 26 H GLY 26 -1.418 3.919 -6.087
156 HA2 GLY 26 2HA GLY 26 -1.515 1.592 -6.003
157 HA3 GLY 26 3HA GLY 26 -3.186 1.700 -5.478
158 H ASP 27 H ASP 27 -1.883 3.244 -8.370
159 HA ASP 27 HA ASP 27 -3.168 1.229 -10.065
160 HB2 ASP 27 2HB ASP 27 -3.814 4.178 -10.122
161 HB3 ASP 27 3HB ASP 27 -4.189 3.088 -11.452
162 HA PRO 28 HA PRO 28 -1.767 -0.227 -10.363
163 HB2 PRO 28 2HB PRO 28 0.935 -1.113 -10.723
164 HB3 PRO 28 3HB PRO 28 -0.484 -1.542 -11.690
165 HG2 PRO 28 2HG PRO 28 1.647 -0.078 -12.616
166 HG3 PRO 28 3HG PRO 28 0.019 -0.056 -13.318
167 HD2 PRO 28 2HD PRO 28 1.303 1.911 -11.473
168 HD3 PRO 28 3HD PRO 28 0.215 2.193 -12.848
169 H TYR 29 H TYR 29 1.146 1.622 -9.574
170 HA TYR 29 HA TYR 29 1.483 0.300 -7.007
171 HB2 TYR 29 2HB TYR 29 3.017 2.565 -8.298
172 HB3 TYR 29 3HB TYR 29 3.441 1.818 -6.764
173 HD1 TYR 29 HD1 TYR 29 3.204 1.241 -10.408
174 HD2 TYR 29 HD2 TYR 29 4.617 -0.252 -6.684
175 HE1 TYR 29 HE1 TYR 29 4.544 -0.439 -11.600
176 HE2 TYR 29 HE2 TYR 29 5.964 -1.936 -7.865
177 HH TYR 29 HH TYR 29 5.984 -3.085 -10.040
178 H GLY 30 H GLY 30 1.498 1.412 -4.997
179 HA2 GLY 30 2HA GLY 30 0.288 4.054 -4.894
180 HA3 GLY 30 3HA GLY 30 -0.648 2.751 -4.196
181 H ILE 31 H ILE 31 -0.427 4.184 -2.280
182 HA ILE 31 HA ILE 31 1.962 3.429 -0.724
183 HB ILE 31 HB ILE 31 0.637 6.119 -0.394
184 HG12 ILE 31 2HG1 ILE 31 1.539 6.121 -2.675
185 HG13 ILE 31 3HG1 ILE 31 2.453 7.205 -1.642
186 HG21 ILE 31 1HG2 ILE 31 1.893 5.390 1.527
187 HG22 ILE 31 2HG2 ILE 31 2.718 6.746 0.759
188 HG23 ILE 31 3HG2 ILE 31 3.319 5.103 0.528
189 HD11 ILE 31 3HD1 ILE 31 4.217 5.451 -1.472
190 HD12 ILE 31 1HD1 ILE 31 3.961 6.061 -3.108
191 HD13 ILE 31 2HD1 ILE 31 3.308 4.492 -2.640
192 H CYS 32 H CYS 32 1.565 3.280 1.582
193 HA CYS 32 HA CYS 32 -1.158 2.456 2.188
194 HB2 CYS 32 2HB CYS 32 1.361 2.301 3.857
195 HB3 CYS 32 3HB CYS 32 -0.190 1.605 4.303
196 H TYR 33 H TYR 33 -2.454 4.200 2.495
197 HA TYR 33 HA TYR 33 -1.571 6.259 4.409
198 HB2 TYR 33 2HB TYR 33 -3.411 6.264 2.063
199 HB3 TYR 33 3HB TYR 33 -3.717 7.407 3.364
200 HD1 TYR 33 HD1 TYR 33 -1.829 9.001 4.018
201 HD2 TYR 33 HD2 TYR 33 -1.776 6.719 0.422
202 HE1 TYR 33 HE1 TYR 33 -0.168 10.543 3.066
203 HE2 TYR 33 HE2 TYR 33 -0.120 8.256 -0.534
204 HH TYR 33 HH TYR 33 0.643 10.571 -0.228
205 H ILE 34 H ILE 34 -3.087 7.063 5.970
206 HA ILE 34 HA ILE 34 -4.812 4.956 7.010
207 HB ILE 34 HB ILE 34 -3.123 6.034 8.497
208 HG12 ILE 34 2HG1 ILE 34 -5.778 6.681 9.703
209 HG13 ILE 34 3HG1 ILE 34 -5.481 5.030 9.183
210 HG21 ILE 34 1HG2 ILE 34 -3.560 8.260 9.444
211 HG22 ILE 34 2HG2 ILE 34 -4.883 8.478 8.299
212 HG23 ILE 34 3HG2 ILE 34 -3.227 8.326 7.713
213 HD11 ILE 34 3HD1 ILE 34 -4.995 5.311 11.544
214 HD12 ILE 34 1HD1 ILE 34 -3.827 6.577 11.168
215 HD13 ILE 34 2HD1 ILE 34 -3.528 4.919 10.646
216 H ILE 35 H ILE 35 -6.972 5.034 7.086
217 HA ILE 35 HA ILE 35 -8.325 7.531 6.328
218 HB ILE 35 HB ILE 35 -10.073 6.060 5.165
219 HG12 ILE 35 2HG1 ILE 35 -8.545 4.071 4.058
220 HG13 ILE 35 3HG1 ILE 35 -7.989 4.047 5.727
221 HG21 ILE 35 1HG2 ILE 35 -8.630 7.597 3.984
222 HG22 ILE 35 2HG2 ILE 35 -8.836 6.115 3.050
223 HG23 ILE 35 3HG2 ILE 35 -7.342 6.393 3.944
224 HD11 ILE 35 3HD1 ILE 35 -9.798 2.470 5.375
225 HD12 ILE 35 1HD1 ILE 35 -10.843 3.774 4.814
226 HD13 ILE 35 2HD1 ILE 35 -10.287 3.748 6.488
Start of MODEL 13
1 H1 PCA 1 H1 PCA 1 5.669 -14.271 5.868
2 HA PCA 1 HA PCA 1 6.226 -12.868 4.038
3 HB2 PCA 1 3HB PCA 1 4.160 -12.983 2.866
4 HB3 PCA 1 2HB PCA 1 3.904 -11.329 3.548
5 HG2 PCA 1 3HG PCA 1 2.251 -12.932 4.400
6 HG3 PCA 1 2HG PCA 1 2.908 -14.111 3.247
7 H ASP 2 H ASP 2 6.604 -10.529 3.825
8 HA ASP 2 HA ASP 2 6.318 -9.103 6.378
9 HB2 ASP 2 2HB ASP 2 8.494 -8.964 4.285
10 HB3 ASP 2 3HB ASP 2 8.331 -7.776 5.574
11 H CYS 3 H CYS 3 4.462 -8.037 6.068
12 HA CYS 3 HA CYS 3 3.839 -6.608 3.653
13 HB2 CYS 3 2HB CYS 3 2.460 -6.602 6.339
14 HB3 CYS 3 3HB CYS 3 1.819 -5.883 4.872
15 HA PRO 4 HA PRO 4 5.616 -2.643 4.642
16 HB2 PRO 4 2HB PRO 4 3.928 -1.005 3.262
17 HB3 PRO 4 3HB PRO 4 5.133 -2.032 2.465
18 HG2 PRO 4 2HG PRO 4 2.212 -2.493 2.832
19 HG3 PRO 4 3HG PRO 4 3.220 -2.765 1.399
20 HD2 PRO 4 2HD PRO 4 2.496 -4.782 3.041
21 HD3 PRO 4 3HD PRO 4 4.056 -4.757 2.195
22 H GLY 5 H GLY 5 5.183 -0.569 5.668
23 HA2 GLY 5 2HA GLY 5 2.931 -0.715 7.566
24 HA3 GLY 5 3HA GLY 5 4.434 0.155 7.840
25 H GLU 6 H GLU 6 2.951 1.933 8.421
26 HA GLU 6 HA GLU 6 1.391 3.188 6.353
27 HB2 GLU 6 2HB GLU 6 0.924 3.244 8.864
28 HB3 GLU 6 3HB GLU 6 2.215 4.428 8.979
29 HG2 GLU 6 2HG GLU 6 0.983 5.910 7.462
30 HG3 GLU 6 3HG GLU 6 -0.320 4.725 7.374
31 H GLY 7 H GLY 7 2.111 4.477 4.818
32 HA2 GLY 7 2HA GLY 7 3.250 6.364 3.967
33 HA3 GLY 7 3HA GLY 7 4.359 6.286 5.326
34 H GLU 8 H GLU 8 3.545 3.504 3.363
35 HA GLU 8 HA GLU 8 6.203 3.600 2.098
36 HB2 GLU 8 2HB GLU 8 5.762 1.924 4.100
37 HB3 GLU 8 3HB GLU 8 4.973 0.977 2.851
38 HG2 GLU 8 2HG GLU 8 7.125 0.123 2.891
39 HG3 GLU 8 3HG GLU 8 7.168 1.254 1.540
40 H GLN 9 H GLN 9 6.339 2.138 0.154
41 HA GLN 9 HA GLN 9 4.076 2.640 -1.562
42 HB2 GLN 9 2HB GLN 9 6.562 2.852 -2.177
43 HB3 GLN 9 3HB GLN 9 6.553 1.101 -2.318
44 HG2 GLN 9 2HG GLN 9 4.826 1.241 -4.040
45 HG3 GLN 9 3HG GLN 9 4.824 3.000 -3.894
46 HE21 GLN 9 1HE2 GLN 9 6.560 4.177 -4.690
47 HE22 GLN 9 2HE2 GLN 9 7.706 3.499 -5.791
48 H CYS 10 H CYS 10 2.574 1.278 -2.229
49 HA CYS 10 HA CYS 10 2.870 -1.595 -1.651
50 HB2 CYS 10 2HB CYS 10 0.325 -1.560 -1.376
51 HB3 CYS 10 3HB CYS 10 1.271 -0.847 -0.074
52 H ASP 11 H ASP 11 2.736 -2.857 -3.386
53 HA ASP 11 HA ASP 11 1.652 -1.700 -5.855
54 HB2 ASP 11 2HB ASP 11 2.907 -3.552 -7.017
55 HB3 ASP 11 3HB ASP 11 3.913 -2.381 -6.181
56 H VAL 12 H VAL 12 0.426 -3.031 -7.310
57 HA VAL 12 HA VAL 12 -1.562 -4.597 -5.894
58 HB VAL 12 HB VAL 12 -2.725 -4.643 -8.163
59 HG11 VAL 12 1HG1 VAL 12 -3.396 -3.120 -6.413
60 HG12 VAL 12 2HG1 VAL 12 -3.479 -2.311 -7.978
61 HG13 VAL 12 3HG1 VAL 12 -2.135 -1.980 -6.885
62 HG21 VAL 12 3HG2 VAL 12 -0.805 -4.210 -9.610
63 HG22 VAL 12 1HG2 VAL 12 -0.586 -2.625 -8.867
64 HG23 VAL 12 2HG2 VAL 12 -2.035 -2.962 -9.817
65 H GLU 13 H GLU 13 1.269 -5.596 -6.641
66 HA GLU 13 HA GLU 13 0.533 -7.969 -8.195
67 HB2 GLU 13 2HB GLU 13 3.199 -6.737 -7.521
68 HB3 GLU 13 3HB GLU 13 3.063 -8.357 -8.190
69 HG2 GLU 13 2HG GLU 13 1.941 -7.451 -10.162
70 HG3 GLU 13 3HG GLU 13 2.074 -5.826 -9.490
71 H PHE 14 H PHE 14 2.654 -7.344 -5.348
72 HA PHE 14 HA PHE 14 1.386 -9.541 -3.924
73 HB2 PHE 14 2HB PHE 14 3.420 -10.308 -5.453
74 HB3 PHE 14 3HB PHE 14 4.363 -9.723 -4.087
75 HD1 PHE 14 HD2 PHE 14 1.924 -12.211 -5.216
76 HD2 PHE 14 HD1 PHE 14 4.356 -10.878 -1.990
77 HE1 PHE 14 HE2 PHE 14 1.535 -14.345 -4.044
78 HE2 PHE 14 HE1 PHE 14 3.974 -13.005 -0.812
79 HZ PHE 14 HZ PHE 14 2.561 -14.741 -1.838
80 H ASN 15 H ASN 15 2.561 -6.489 -3.810
81 HA ASN 15 HA ASN 15 3.263 -6.729 -0.959
82 HB2 ASN 15 2HB ASN 15 5.103 -6.019 -2.663
83 HB3 ASN 15 3HB ASN 15 4.281 -4.462 -2.647
84 HD21 ASN 15 1HD2 ASN 15 4.295 -3.224 -0.769
85 HD22 ASN 15 2HD2 ASN 15 5.408 -3.522 0.517
86 HA PRO 16 HA PRO 16 -0.307 -3.769 -1.099
87 HB2 PRO 16 2HB PRO 16 -2.140 -5.499 0.125
88 HB3 PRO 16 3HB PRO 16 -2.014 -5.202 -1.616
89 HG2 PRO 16 2HG PRO 16 -1.487 -7.626 -0.276
90 HG3 PRO 16 3HG PRO 16 -1.164 -7.249 -1.977
91 HD2 PRO 16 2HD PRO 16 0.697 -7.236 0.341
92 HD3 PRO 16 3HD PRO 16 1.019 -7.589 -1.371
93 H CYS 17 H CYS 17 -1.645 -2.935 0.814
94 HA CYS 17 HA CYS 17 0.010 -2.942 3.197
95 HB2 CYS 17 2HB CYS 17 -2.606 -1.467 2.837
96 HB3 CYS 17 3HB CYS 17 -1.313 -1.107 3.973
97 H CYS 18 H CYS 18 -0.198 -4.659 4.495
98 HA CYS 18 HA CYS 18 -2.676 -6.082 4.807
99 HB2 CYS 18 2HB CYS 18 -0.066 -6.451 6.281
100 HB3 CYS 18 3HB CYS 18 -1.435 -7.553 6.320
101 HA PRO 19 HA PRO 19 -2.500 -4.149 9.279
102 HB2 PRO 19 2HB PRO 19 -1.079 -1.601 8.983
103 HB3 PRO 19 3HB PRO 19 -0.773 -2.912 10.129
104 HG2 PRO 19 2HG PRO 19 0.938 -2.324 8.152
105 HG3 PRO 19 3HG PRO 19 0.695 -3.980 8.747
106 HD2 PRO 19 2HD PRO 19 -0.442 -2.675 6.305
107 HD3 PRO 19 3HD PRO 19 0.267 -4.292 6.491
108 HA PRO 20 HA PRO 20 -5.904 -1.322 8.533
109 HB2 PRO 20 2HB PRO 20 -5.783 0.686 10.406
110 HB3 PRO 20 3HB PRO 20 -6.336 -0.963 10.753
111 HG2 PRO 20 2HG PRO 20 -3.667 0.270 11.241
112 HG3 PRO 20 3HG PRO 20 -4.629 -0.793 12.290
113 HD2 PRO 20 2HD PRO 20 -2.565 -1.733 10.869
114 HD3 PRO 20 3HD PRO 20 -4.024 -2.702 11.142
115 H LEU 21 H LEU 21 -4.067 -0.781 6.662
116 HA LEU 21 HA LEU 21 -4.324 2.119 6.258
117 HB2 LEU 21 2HB LEU 21 -1.868 0.475 5.617
118 HB3 LEU 21 3HB LEU 21 -2.130 2.116 5.081
119 HG LEU 21 HG LEU 21 -0.649 2.343 6.854
120 HD11 LEU 21 1HD1 LEU 21 -1.774 3.466 8.651
121 HD12 LEU 21 2HD1 LEU 21 -3.303 2.703 8.221
122 HD13 LEU 21 3HD1 LEU 21 -2.559 3.864 7.122
123 HD21 LEU 21 3HD2 LEU 21 -2.249 0.277 8.330
124 HD22 LEU 21 1HD2 LEU 21 -0.937 1.215 9.049
125 HD23 LEU 21 2HD2 LEU 21 -0.608 0.136 7.694
126 H THR 22 H THR 22 -4.344 2.763 4.027
127 HA THR 22 HA THR 22 -5.319 0.632 2.248
128 HB THR 22 HB THR 22 -7.114 2.154 2.751
129 HG1 THR 22 HG1 THR 22 -7.404 1.646 0.687
130 HG21 THR 22 3HG2 THR 22 -5.366 4.397 1.753
131 HG22 THR 22 1HG2 THR 22 -5.817 4.116 3.433
132 HG23 THR 22 2HG2 THR 22 -7.053 4.535 2.250
133 H CYS 23 H CYS 23 -4.927 0.951 -0.074
134 HA CYS 23 HA CYS 23 -2.237 2.025 -0.506
135 HB2 CYS 23 2HB CYS 23 -2.962 -0.397 -1.073
136 HB3 CYS 23 3HB CYS 23 -3.756 0.328 -2.465
137 H ILE 24 H ILE 24 -2.300 4.104 -1.068
138 HA ILE 24 HA ILE 24 -3.986 4.881 -3.343
139 HB ILE 24 HB ILE 24 -3.361 6.774 -1.064
140 HG12 ILE 24 2HG1 ILE 24 -6.020 5.421 -1.546
141 HG13 ILE 24 3HG1 ILE 24 -4.845 4.827 -0.396
142 HG21 ILE 24 1HG2 ILE 24 -3.805 7.809 -3.255
143 HG22 ILE 24 2HG2 ILE 24 -5.061 8.195 -2.080
144 HG23 ILE 24 3HG2 ILE 24 -5.362 6.981 -3.322
145 HD11 ILE 24 3HD1 ILE 24 -5.000 6.967 0.820
146 HD12 ILE 24 1HD1 ILE 24 -6.537 6.109 0.740
147 HD13 ILE 24 2HD1 ILE 24 -6.242 7.490 -0.314
148 HA PRO 25 HA PRO 25 -4.056 6.203 -5.079
149 HB2 PRO 25 2HB PRO 25 -3.026 5.797 -7.585
150 HB3 PRO 25 3HB PRO 25 -3.113 7.393 -6.814
151 HG2 PRO 25 2HG PRO 25 -0.793 5.531 -7.026
152 HG3 PRO 25 3HG PRO 25 -0.848 7.290 -7.246
153 HD2 PRO 25 2HD PRO 25 0.044 6.179 -4.964
154 HD3 PRO 25 3HD PRO 25 -0.837 7.715 -4.976
155 H GLY 26 H GLY 26 -1.476 3.891 -6.079
156 HA2 GLY 26 2HA GLY 26 -1.532 1.561 -5.987
157 HA3 GLY 26 3HA GLY 26 -3.201 1.641 -5.452
158 H ASP 27 H ASP 27 -1.943 3.210 -8.351
159 HA ASP 27 HA ASP 27 -3.197 1.173 -10.043
160 HB2 ASP 27 2HB ASP 27 -3.911 4.107 -10.082
161 HB3 ASP 27 3HB ASP 27 -4.267 3.016 -11.418
162 HA PRO 28 HA PRO 28 -1.778 -0.255 -10.379
163 HB2 PRO 28 2HB PRO 28 0.944 -1.082 -10.759
164 HB3 PRO 28 3HB PRO 28 -0.473 -1.534 -11.722
165 HG2 PRO 28 2HG PRO 28 1.617 -0.018 -12.653
166 HG3 PRO 28 3HG PRO 28 -0.018 -0.019 -13.338
167 HD2 PRO 28 2HD PRO 28 1.245 1.951 -11.482
168 HD3 PRO 28 3HD PRO 28 0.143 2.228 -12.846
169 H TYR 29 H TYR 29 1.097 1.644 -9.583
170 HA TYR 29 HA TYR 29 1.462 0.307 -7.024
171 HB2 TYR 29 2HB TYR 29 2.976 2.587 -8.312
172 HB3 TYR 29 3HB TYR 29 3.411 1.835 -6.784
173 HD1 TYR 29 HD2 TYR 29 3.170 1.283 -10.431
174 HD2 TYR 29 HD1 TYR 29 4.592 -0.235 -6.721
175 HE1 TYR 29 HE2 TYR 29 4.514 -0.383 -11.638
176 HE2 TYR 29 HE1 TYR 29 5.943 -1.906 -7.917
177 HH TYR 29 HH TYR 29 6.515 -1.758 -11.258
178 H GLY 30 H GLY 30 1.495 1.427 -5.011
179 HA2 GLY 30 2HA GLY 30 0.249 4.052 -4.900
180 HA3 GLY 30 3HA GLY 30 -0.660 2.738 -4.189
181 H ILE 31 H ILE 31 -0.440 4.168 -2.274
182 HA ILE 31 HA ILE 31 1.980 3.452 -0.748
183 HB ILE 31 HB ILE 31 0.618 6.122 -0.404
184 HG12 ILE 31 2HG1 ILE 31 1.496 6.134 -2.694
185 HG13 ILE 31 3HG1 ILE 31 2.402 7.235 -1.672
186 HG21 ILE 31 1HG2 ILE 31 3.323 5.147 0.492
187 HG22 ILE 31 2HG2 ILE 31 1.905 5.417 1.505
188 HG23 ILE 31 3HG2 ILE 31 2.704 6.782 0.725
189 HD11 ILE 31 3HD1 ILE 31 3.293 4.531 -2.666
190 HD12 ILE 31 1HD1 ILE 31 4.200 5.520 -1.519
191 HD13 ILE 31 2HD1 ILE 31 3.910 6.109 -3.156
192 H CYS 32 H CYS 32 1.617 3.306 1.563
193 HA CYS 32 HA CYS 32 -1.080 2.433 2.212
194 HB2 CYS 32 2HB CYS 32 1.499 2.301 3.785
195 HB3 CYS 32 3HB CYS 32 -0.034 1.650 4.345
196 H TYR 33 H TYR 33 -2.399 4.159 2.524
197 HA TYR 33 HA TYR 33 -1.528 6.248 4.411
198 HB2 TYR 33 2HB TYR 33 -3.414 6.191 2.103
199 HB3 TYR 33 3HB TYR 33 -3.731 7.329 3.406
200 HD1 TYR 33 HD1 TYR 33 -1.927 9.015 3.995
201 HD2 TYR 33 HD2 TYR 33 -1.779 6.657 0.451
202 HE1 TYR 33 HE1 TYR 33 -0.330 10.602 3.008
203 HE2 TYR 33 HE2 TYR 33 -0.186 8.238 -0.539
204 HH TYR 33 HH TYR 33 0.478 10.592 -0.284
205 H ILE 34 H ILE 34 -2.980 6.989 6.034
206 HA ILE 34 HA ILE 34 -4.703 4.867 7.063
207 HB ILE 34 HB ILE 34 -2.926 5.826 8.531
208 HG12 ILE 34 2HG1 ILE 34 -5.517 6.494 9.862
209 HG13 ILE 34 3HG1 ILE 34 -5.285 4.859 9.263
210 HG21 ILE 34 1HG2 ILE 34 -4.617 8.326 8.510
211 HG22 ILE 34 2HG2 ILE 34 -2.990 8.154 7.853
212 HG23 ILE 34 3HG2 ILE 34 -3.257 8.019 9.591
213 HD11 ILE 34 3HD1 ILE 34 -4.709 5.024 11.614
214 HD12 ILE 34 1HD1 ILE 34 -3.520 6.275 11.251
215 HD13 ILE 34 2HD1 ILE 34 -3.286 4.634 10.648
216 H ILE 35 H ILE 35 -6.858 5.020 7.275
217 HA ILE 35 HA ILE 35 -8.142 7.551 6.489
218 HB ILE 35 HB ILE 35 -10.090 6.088 5.697
219 HG12 ILE 35 2HG1 ILE 35 -8.175 3.923 5.037
220 HG13 ILE 35 3HG1 ILE 35 -8.679 3.989 6.722
221 HG21 ILE 35 1HG2 ILE 35 -9.082 5.801 3.478
222 HG22 ILE 35 2HG2 ILE 35 -7.485 6.063 4.180
223 HG23 ILE 35 3HG2 ILE 35 -8.680 7.361 4.196
224 HD11 ILE 35 3HD1 ILE 35 -10.074 2.473 5.437
225 HD12 ILE 35 1HD1 ILE 35 -10.507 3.782 4.338
226 HD13 ILE 35 2HD1 ILE 35 -11.014 3.844 6.026
Start of MODEL 14
1 H1 PCA 1 H1 PCA 1 4.882 -13.700 6.709
2 HA PCA 1 HA PCA 1 6.050 -12.991 4.426
3 HB2 PCA 1 3HB PCA 1 4.106 -13.032 3.055
4 HB3 PCA 1 2HB PCA 1 3.890 -11.338 3.644
5 HG2 PCA 1 3HG PCA 1 2.061 -12.799 4.383
6 HG3 PCA 1 2HG PCA 1 2.755 -14.067 3.353
7 H ASP 2 H ASP 2 6.521 -10.647 4.118
8 HA ASP 2 HA ASP 2 6.186 -9.141 6.616
9 HB2 ASP 2 2HB ASP 2 8.404 -9.096 4.561
10 HB3 ASP 2 3HB ASP 2 8.243 -7.876 5.820
11 H CYS 3 H CYS 3 4.351 -8.058 6.236
12 HA CYS 3 HA CYS 3 3.827 -6.655 3.779
13 HB2 CYS 3 2HB CYS 3 2.349 -6.620 6.411
14 HB3 CYS 3 3HB CYS 3 1.770 -5.899 4.920
15 HA PRO 4 HA PRO 4 5.609 -2.698 4.790
16 HB2 PRO 4 2HB PRO 4 3.969 -1.050 3.361
17 HB3 PRO 4 3HB PRO 4 5.189 -2.089 2.600
18 HG2 PRO 4 2HG PRO 4 2.255 -2.530 2.893
19 HG3 PRO 4 3HG PRO 4 3.298 -2.812 1.487
20 HD2 PRO 4 2HD PRO 4 2.521 -4.821 3.108
21 HD3 PRO 4 3HD PRO 4 4.107 -4.804 2.312
22 H GLY 5 H GLY 5 5.178 -0.619 5.797
23 HA2 GLY 5 2HA GLY 5 2.889 -0.732 7.652
24 HA3 GLY 5 3HA GLY 5 4.386 0.146 7.934
25 H GLU 6 H GLU 6 2.981 1.970 8.451
26 HA GLU 6 HA GLU 6 1.413 3.176 6.351
27 HB2 GLU 6 2HB GLU 6 0.922 3.285 8.853
28 HB3 GLU 6 3HB GLU 6 2.225 4.460 8.961
29 HG2 GLU 6 2HG GLU 6 1.016 5.921 7.399
30 HG3 GLU 6 3HG GLU 6 -0.298 4.749 7.336
31 H GLY 7 H GLY 7 2.127 4.472 4.815
32 HA2 GLY 7 2HA GLY 7 3.291 6.327 3.935
33 HA3 GLY 7 3HA GLY 7 4.396 6.257 5.298
34 H GLU 8 H GLU 8 3.528 3.508 3.294
35 HA GLU 8 HA GLU 8 6.207 3.530 2.076
36 HB2 GLU 8 2HB GLU 8 5.579 1.836 4.078
37 HB3 GLU 8 3HB GLU 8 4.969 0.903 2.721
38 HG2 GLU 8 2HG GLU 8 7.739 1.997 2.589
39 HG3 GLU 8 3HG GLU 8 7.418 0.581 3.585
40 H GLN 9 H GLN 9 6.340 2.144 0.109
41 HA GLN 9 HA GLN 9 4.080 2.648 -1.607
42 HB2 GLN 9 2HB GLN 9 6.565 2.878 -2.213
43 HB3 GLN 9 3HB GLN 9 6.570 1.128 -2.362
44 HG2 GLN 9 2HG GLN 9 4.801 1.296 -4.071
45 HG3 GLN 9 3HG GLN 9 4.888 3.055 -3.955
46 HE21 GLN 9 1HE2 GLN 9 6.496 0.166 -5.022
47 HE22 GLN 9 2HE2 GLN 9 7.680 0.944 -6.010
48 H CYS 10 H CYS 10 2.564 1.287 -2.248
49 HA CYS 10 HA CYS 10 2.885 -1.589 -1.703
50 HB2 CYS 10 2HB CYS 10 0.337 -1.566 -1.426
51 HB3 CYS 10 3HB CYS 10 1.285 -0.867 -0.119
52 H ASP 11 H ASP 11 2.737 -2.850 -3.438
53 HA ASP 11 HA ASP 11 1.644 -1.686 -5.900
54 HB2 ASP 11 2HB ASP 11 2.902 -3.524 -7.076
55 HB3 ASP 11 3HB ASP 11 3.909 -2.360 -6.231
56 H VAL 12 H VAL 12 0.421 -3.025 -7.358
57 HA VAL 12 HA VAL 12 -1.558 -4.597 -5.935
58 HB VAL 12 HB VAL 12 -2.724 -4.649 -8.205
59 HG11 VAL 12 1HG1 VAL 12 -3.400 -3.135 -6.449
60 HG12 VAL 12 2HG1 VAL 12 -3.492 -2.323 -8.013
61 HG13 VAL 12 3HG1 VAL 12 -2.148 -1.985 -6.922
62 HG21 VAL 12 3HG2 VAL 12 -2.045 -2.960 -9.855
63 HG22 VAL 12 1HG2 VAL 12 -0.807 -4.201 -9.652
64 HG23 VAL 12 2HG2 VAL 12 -0.598 -2.616 -8.906
65 H GLU 13 H GLU 13 1.260 -5.606 -6.635
66 HA GLU 13 HA GLU 13 0.532 -7.983 -8.193
67 HB2 GLU 13 2HB GLU 13 3.196 -6.727 -7.561
68 HB3 GLU 13 3HB GLU 13 3.064 -8.353 -8.215
69 HG2 GLU 13 2HG GLU 13 1.912 -7.470 -10.181
70 HG3 GLU 13 3HG GLU 13 2.043 -5.840 -9.523
71 H PHE 14 H PHE 14 2.681 -7.322 -5.376
72 HA PHE 14 HA PHE 14 1.444 -9.517 -3.923
73 HB2 PHE 14 2HB PHE 14 3.466 -10.281 -5.468
74 HB3 PHE 14 3HB PHE 14 4.421 -9.678 -4.117
75 HD1 PHE 14 HD1 PHE 14 1.985 -12.191 -5.197
76 HD2 PHE 14 HD2 PHE 14 4.448 -10.818 -2.012
77 HE1 PHE 14 HE1 PHE 14 1.623 -14.318 -4.004
78 HE2 PHE 14 HE2 PHE 14 4.094 -12.939 -0.814
79 HZ PHE 14 HZ PHE 14 2.680 -14.691 -1.808
80 H ASN 15 H ASN 15 2.583 -6.455 -3.836
81 HA ASN 15 HA ASN 15 3.327 -6.672 -0.995
82 HB2 ASN 15 2HB ASN 15 5.132 -5.945 -2.725
83 HB3 ASN 15 3HB ASN 15 4.289 -4.400 -2.708
84 HD21 ASN 15 1HD2 ASN 15 4.311 -3.150 -0.838
85 HD22 ASN 15 2HD2 ASN 15 5.445 -3.425 0.436
86 HA PRO 16 HA PRO 16 -0.284 -3.761 -1.096
87 HB2 PRO 16 2HB PRO 16 -2.089 -5.513 0.135
88 HB3 PRO 16 3HB PRO 16 -1.974 -5.217 -1.607
89 HG2 PRO 16 2HG PRO 16 -1.409 -7.632 -0.262
90 HG3 PRO 16 3HG PRO 16 -1.106 -7.256 -1.967
91 HD2 PRO 16 2HD PRO 16 0.777 -7.215 0.334
92 HD3 PRO 16 3HD PRO 16 1.087 -7.565 -1.381
93 H CYS 17 H CYS 17 -1.617 -2.947 0.828
94 HA CYS 17 HA CYS 17 0.048 -2.979 3.212
95 HB2 CYS 17 2HB CYS 17 -2.535 -1.445 2.876
96 HB3 CYS 17 3HB CYS 17 -1.210 -1.107 3.979
97 H CYS 18 H CYS 18 -0.213 -4.693 4.510
98 HA CYS 18 HA CYS 18 -2.733 -6.050 4.797
99 HB2 CYS 18 2HB CYS 18 -0.167 -6.506 6.321
100 HB3 CYS 18 3HB CYS 18 -1.559 -7.578 6.284
101 HA PRO 19 HA PRO 19 -2.493 -4.137 9.296
102 HB2 PRO 19 2HB PRO 19 -1.045 -1.599 8.895
103 HB3 PRO 19 3HB PRO 19 -0.794 -2.840 10.129
104 HG2 PRO 19 2HG PRO 19 0.986 -2.437 8.193
105 HG3 PRO 19 3HG PRO 19 0.636 -4.063 8.818
106 HD2 PRO 19 2HD PRO 19 -0.371 -2.754 6.318
107 HD3 PRO 19 3HD PRO 19 0.267 -4.394 6.549
108 HA PRO 20 HA PRO 20 -5.887 -1.283 8.581
109 HB2 PRO 20 2HB PRO 20 -5.052 0.684 10.634
110 HB3 PRO 20 3HB PRO 20 -6.518 -0.310 10.555
111 HG2 PRO 20 2HG PRO 20 -4.626 -0.840 12.324
112 HG3 PRO 20 3HG PRO 20 -5.494 -2.148 11.492
113 HD2 PRO 20 2HD PRO 20 -2.766 -1.046 10.924
114 HD3 PRO 20 3HD PRO 20 -3.299 -2.738 11.010
115 H LEU 21 H LEU 21 -4.034 -0.767 6.690
116 HA LEU 21 HA LEU 21 -4.301 2.130 6.266
117 HB2 LEU 21 2HB LEU 21 -1.840 0.486 5.643
118 HB3 LEU 21 3HB LEU 21 -2.107 2.119 5.082
119 HG LEU 21 HG LEU 21 -0.629 2.378 6.852
120 HD11 LEU 21 1HD1 LEU 21 -3.288 2.752 8.207
121 HD12 LEU 21 2HD1 LEU 21 -2.537 3.900 7.098
122 HD13 LEU 21 3HD1 LEU 21 -1.760 3.521 8.635
123 HD21 LEU 21 3HD2 LEU 21 -0.965 1.286 9.082
124 HD22 LEU 21 1HD2 LEU 21 -0.543 0.213 7.747
125 HD23 LEU 21 2HD2 LEU 21 -2.211 0.297 8.318
126 H THR 22 H THR 22 -4.327 2.761 4.035
127 HA THR 22 HA THR 22 -5.297 0.619 2.266
128 HB THR 22 HB THR 22 -7.097 2.133 2.767
129 HG1 THR 22 HG1 THR 22 -7.165 3.168 0.456
130 HG21 THR 22 3HG2 THR 22 -7.051 4.514 2.261
131 HG22 THR 22 1HG2 THR 22 -5.362 4.384 1.765
132 HG23 THR 22 2HG2 THR 22 -5.813 4.102 3.446
133 H CYS 23 H CYS 23 -4.919 0.941 -0.061
134 HA CYS 23 HA CYS 23 -2.233 2.021 -0.505
135 HB2 CYS 23 2HB CYS 23 -2.946 -0.402 -1.067
136 HB3 CYS 23 3HB CYS 23 -3.757 0.315 -2.453
137 H ILE 24 H ILE 24 -2.299 4.097 -1.073
138 HA ILE 24 HA ILE 24 -3.999 4.871 -3.339
139 HB ILE 24 HB ILE 24 -3.369 6.766 -1.063
140 HG12 ILE 24 2HG1 ILE 24 -6.025 5.404 -1.534
141 HG13 ILE 24 3HG1 ILE 24 -4.845 4.816 -0.386
142 HG21 ILE 24 1HG2 ILE 24 -5.386 6.966 -3.308
143 HG22 ILE 24 2HG2 ILE 24 -3.828 7.790 -3.260
144 HG23 ILE 24 3HG2 ILE 24 -5.070 8.187 -2.074
145 HD11 ILE 24 3HD1 ILE 24 -6.255 7.473 -0.303
146 HD12 ILE 24 1HD1 ILE 24 -5.005 6.958 0.826
147 HD13 ILE 24 2HD1 ILE 24 -6.537 6.093 0.754
148 HA PRO 25 HA PRO 25 -4.081 6.199 -5.071
149 HB2 PRO 25 2HB PRO 25 -3.063 5.799 -7.583
150 HB3 PRO 25 3HB PRO 25 -3.151 7.394 -6.810
151 HG2 PRO 25 2HG PRO 25 -0.827 5.537 -7.035
152 HG3 PRO 25 3HG PRO 25 -0.888 7.296 -7.253
153 HD2 PRO 25 2HD PRO 25 0.019 6.185 -4.977
154 HD3 PRO 25 3HD PRO 25 -0.866 7.719 -4.983
155 H GLY 26 H GLY 26 -1.500 3.893 -6.080
156 HA2 GLY 26 2HA GLY 26 -1.549 1.563 -5.993
157 HA3 GLY 26 3HA GLY 26 -3.218 1.639 -5.453
158 H ASP 27 H ASP 27 -1.975 3.215 -8.353
159 HA ASP 27 HA ASP 27 -3.222 1.176 -10.044
160 HB2 ASP 27 2HB ASP 27 -3.961 4.103 -10.072
161 HB3 ASP 27 3HB ASP 27 -4.312 3.014 -11.412
162 HA PRO 28 HA PRO 28 -1.796 -0.244 -10.396
163 HB2 PRO 28 2HB PRO 28 0.930 -1.046 -10.791
164 HB3 PRO 28 3HB PRO 28 -0.486 -1.506 -11.749
165 HG2 PRO 28 2HG PRO 28 1.587 0.029 -12.684
166 HG3 PRO 28 3HG PRO 28 -0.052 0.021 -13.360
167 HD2 PRO 28 2HD PRO 28 1.207 1.988 -11.499
168 HD3 PRO 28 3HD PRO 28 0.099 2.266 -12.858
169 H TYR 29 H TYR 29 1.066 1.676 -9.600
170 HA TYR 29 HA TYR 29 1.446 0.329 -7.048
171 HB2 TYR 29 2HB TYR 29 2.948 2.619 -8.334
172 HB3 TYR 29 3HB TYR 29 3.390 1.862 -6.810
173 HD1 TYR 29 HD2 TYR 29 3.140 1.324 -10.458
174 HD2 TYR 29 HD1 TYR 29 4.578 -0.205 -6.758
175 HE1 TYR 29 HE2 TYR 29 4.485 -0.333 -11.675
176 HE2 TYR 29 HE1 TYR 29 5.931 -1.866 -7.964
177 HH TYR 29 HH TYR 29 5.950 -2.988 -10.153
178 H GLY 30 H GLY 30 1.481 1.442 -5.033
179 HA2 GLY 30 2HA GLY 30 0.228 4.063 -4.907
180 HA3 GLY 30 3HA GLY 30 -0.675 2.742 -4.197
181 H ILE 31 H ILE 31 -0.452 4.164 -2.277
182 HA ILE 31 HA ILE 31 1.977 3.449 -0.765
183 HB ILE 31 HB ILE 31 0.614 6.116 -0.401
184 HG12 ILE 31 2HG1 ILE 31 1.476 6.138 -2.699
185 HG13 ILE 31 3HG1 ILE 31 2.383 7.239 -1.679
186 HG21 ILE 31 1HG2 ILE 31 2.711 6.770 0.712
187 HG22 ILE 31 2HG2 ILE 31 3.326 5.136 0.469
188 HG23 ILE 31 3HG2 ILE 31 1.917 5.402 1.494
189 HD11 ILE 31 3HD1 ILE 31 3.281 4.543 -2.690
190 HD12 ILE 31 1HD1 ILE 31 4.190 5.532 -1.545
191 HD13 ILE 31 2HD1 ILE 31 3.887 6.126 -3.178
192 H CYS 32 H CYS 32 1.625 3.308 1.550
193 HA CYS 32 HA CYS 32 -1.066 2.426 2.216
194 HB2 CYS 32 2HB CYS 32 1.514 2.322 3.793
195 HB3 CYS 32 3HB CYS 32 -0.012 1.643 4.337
196 H TYR 33 H TYR 33 -2.386 4.155 2.522
197 HA TYR 33 HA TYR 33 -1.513 6.255 4.395
198 HB2 TYR 33 2HB TYR 33 -3.413 6.178 2.098
199 HB3 TYR 33 3HB TYR 33 -3.729 7.320 3.399
200 HD1 TYR 33 HD2 TYR 33 -1.949 9.030 3.964
201 HD2 TYR 33 HD1 TYR 33 -1.775 6.637 0.443
202 HE1 TYR 33 HE2 TYR 33 -0.366 10.621 2.964
203 HE2 TYR 33 HE1 TYR 33 -0.196 8.226 -0.561
204 HH TYR 33 HH TYR 33 1.370 10.647 1.226
205 H ILE 34 H ILE 34 -3.025 7.046 5.977
206 HA ILE 34 HA ILE 34 -4.647 4.898 7.101
207 HB ILE 34 HB ILE 34 -2.951 6.057 8.522
208 HG12 ILE 34 2HG1 ILE 34 -5.593 6.633 9.795
209 HG13 ILE 34 3HG1 ILE 34 -5.255 4.984 9.290
210 HG21 ILE 34 1HG2 ILE 34 -3.439 8.282 9.448
211 HG22 ILE 34 2HG2 ILE 34 -4.801 8.435 8.338
212 HG23 ILE 34 3HG2 ILE 34 -3.157 8.330 7.707
213 HD11 ILE 34 3HD1 ILE 34 -4.710 5.314 11.631
214 HD12 ILE 34 1HD1 ILE 34 -3.599 6.616 11.204
215 HD13 ILE 34 2HD1 ILE 34 -3.258 4.962 10.696
216 H ILE 35 H ILE 35 -6.806 4.913 7.248
217 HA ILE 35 HA ILE 35 -8.261 7.352 6.496
218 HB ILE 35 HB ILE 35 -9.986 5.815 5.383
219 HG12 ILE 35 2HG1 ILE 35 -8.416 3.874 4.248
220 HG13 ILE 35 3HG1 ILE 35 -7.820 3.878 5.906
221 HG21 ILE 35 1HG2 ILE 35 -8.626 7.394 4.160
222 HG22 ILE 35 2HG2 ILE 35 -8.801 5.900 3.239
223 HG23 ILE 35 3HG2 ILE 35 -7.296 6.237 4.095
224 HD11 ILE 35 3HD1 ILE 35 -10.683 3.503 5.059
225 HD12 ILE 35 1HD1 ILE 35 -10.089 3.504 6.719
226 HD13 ILE 35 2HD1 ILE 35 -9.580 2.238 5.603
Start of MODEL 15
1 H1 PCA 1 H1 PCA 1 6.647 -13.862 5.544
2 HA PCA 1 HA PCA 1 6.902 -12.718 3.155
3 HB2 PCA 1 3HB PCA 1 4.685 -13.104 2.388
4 HB3 PCA 1 2HB PCA 1 4.327 -11.556 3.248
5 HG2 PCA 1 3HG PCA 1 3.134 -13.452 4.254
6 HG3 PCA 1 2HG PCA 1 3.714 -14.440 2.898
7 H ASP 2 H ASP 2 7.104 -10.410 3.133
8 HA ASP 2 HA ASP 2 6.860 -9.131 5.771
9 HB2 ASP 2 2HB ASP 2 9.213 -9.588 4.724
10 HB3 ASP 2 3HB ASP 2 8.832 -8.213 3.693
11 H CYS 3 H CYS 3 4.944 -8.145 5.567
12 HA CYS 3 HA CYS 3 4.218 -6.638 3.213
13 HB2 CYS 3 2HB CYS 3 2.120 -6.183 4.457
14 HB3 CYS 3 3HB CYS 3 2.486 -7.900 4.332
15 HA PRO 4 HA PRO 4 5.700 -2.650 4.528
16 HB2 PRO 4 2HB PRO 4 3.958 -1.026 3.212
17 HB3 PRO 4 3HB PRO 4 5.225 -1.944 2.375
18 HG2 PRO 4 2HG PRO 4 2.331 -2.598 2.701
19 HG3 PRO 4 3HG PRO 4 3.335 -2.679 1.243
20 HD2 PRO 4 2HD PRO 4 2.781 -4.876 2.676
21 HD3 PRO 4 3HD PRO 4 4.354 -4.649 1.890
22 H GLY 5 H GLY 5 5.053 -0.609 5.573
23 HA2 GLY 5 2HA GLY 5 2.758 -0.980 7.397
24 HA3 GLY 5 3HA GLY 5 4.230 -0.114 7.817
25 H GLU 6 H GLU 6 2.853 1.686 8.419
26 HA GLU 6 HA GLU 6 1.289 3.028 6.405
27 HB2 GLU 6 2HB GLU 6 0.757 3.028 8.868
28 HB3 GLU 6 3HB GLU 6 2.140 4.084 9.110
29 HG2 GLU 6 2HG GLU 6 1.090 5.780 7.692
30 HG3 GLU 6 3HG GLU 6 -0.298 4.723 7.449
31 H GLY 7 H GLY 7 2.009 4.374 4.917
32 HA2 GLY 7 2HA GLY 7 3.166 6.265 4.116
33 HA3 GLY 7 3HA GLY 7 4.263 6.154 5.481
34 H GLU 8 H GLU 8 3.480 3.422 3.430
35 HA GLU 8 HA GLU 8 6.134 3.589 2.167
36 HB2 GLU 8 2HB GLU 8 5.713 1.865 4.155
37 HB3 GLU 8 3HB GLU 8 5.011 0.913 2.857
38 HG2 GLU 8 2HG GLU 8 7.110 1.030 1.621
39 HG3 GLU 8 3HG GLU 8 7.817 2.001 2.912
40 H GLN 9 H GLN 9 6.286 2.091 0.224
41 HA GLN 9 HA GLN 9 4.032 2.601 -1.498
42 HB2 GLN 9 2HB GLN 9 6.528 2.779 -2.098
43 HB3 GLN 9 3HB GLN 9 6.486 1.030 -2.249
44 HG2 GLN 9 2HG GLN 9 4.759 1.218 -3.971
45 HG3 GLN 9 3HG GLN 9 4.806 2.975 -3.821
46 HE21 GLN 9 1HE2 GLN 9 6.577 4.105 -4.609
47 HE22 GLN 9 2HE2 GLN 9 7.706 3.398 -5.709
48 H CYS 10 H CYS 10 2.533 1.251 -2.197
49 HA CYS 10 HA CYS 10 2.786 -1.624 -1.608
50 HB2 CYS 10 2HB CYS 10 0.239 -1.561 -1.354
51 HB3 CYS 10 3HB CYS 10 1.180 -0.853 -0.045
52 H ASP 11 H ASP 11 2.662 -2.877 -3.356
53 HA ASP 11 HA ASP 11 1.588 -1.695 -5.820
54 HB2 ASP 11 2HB ASP 11 2.859 -3.522 -7.001
55 HB3 ASP 11 3HB ASP 11 3.854 -2.354 -6.148
56 H VAL 12 H VAL 12 0.370 -3.004 -7.292
57 HA VAL 12 HA VAL 12 -1.610 -4.605 -5.906
58 HB VAL 12 HB VAL 12 -2.767 -4.626 -8.177
59 HG11 VAL 12 1HG1 VAL 12 -2.189 -1.978 -6.862
60 HG12 VAL 12 2HG1 VAL 12 -3.450 -3.126 -6.414
61 HG13 VAL 12 3HG1 VAL 12 -3.524 -2.296 -7.968
62 HG21 VAL 12 3HG2 VAL 12 -0.845 -4.169 -9.614
63 HG22 VAL 12 1HG2 VAL 12 -0.634 -2.593 -8.852
64 HG23 VAL 12 2HG2 VAL 12 -2.077 -2.922 -9.809
65 H GLU 13 H GLU 13 1.237 -5.566 -6.682
66 HA GLU 13 HA GLU 13 0.524 -7.916 -8.276
67 HB2 GLU 13 2HB GLU 13 3.176 -6.690 -7.542
68 HB3 GLU 13 3HB GLU 13 3.054 -8.296 -8.246
69 HG2 GLU 13 2HG GLU 13 1.954 -7.351 -10.212
70 HG3 GLU 13 3HG GLU 13 2.074 -5.742 -9.505
71 H PHE 14 H PHE 14 2.617 -7.354 -5.394
72 HA PHE 14 HA PHE 14 1.331 -9.570 -4.021
73 HB2 PHE 14 2HB PHE 14 3.366 -10.320 -5.562
74 HB3 PHE 14 3HB PHE 14 4.306 -9.776 -4.176
75 HD1 PHE 14 HD1 PHE 14 1.871 -12.224 -5.387
76 HD2 PHE 14 HD2 PHE 14 4.262 -10.974 -2.097
77 HE1 PHE 14 HE1 PHE 14 1.460 -14.383 -4.271
78 HE2 PHE 14 HE2 PHE 14 3.858 -13.126 -0.976
79 HZ PHE 14 HZ PHE 14 2.455 -14.833 -2.061
80 H ASN 15 H ASN 15 2.579 -6.533 -3.855
81 HA ASN 15 HA ASN 15 3.289 -6.842 -1.012
82 HB2 ASN 15 2HB ASN 15 5.088 -6.065 -2.738
83 HB3 ASN 15 3HB ASN 15 4.261 -4.515 -2.639
84 HD21 ASN 15 1HD2 ASN 15 4.317 -3.354 -0.714
85 HD22 ASN 15 2HD2 ASN 15 5.460 -3.700 0.534
86 HA PRO 16 HA PRO 16 -0.300 -3.919 -0.973
87 HB2 PRO 16 2HB PRO 16 -2.036 -5.672 0.356
88 HB3 PRO 16 3HB PRO 16 -2.002 -5.392 -1.391
89 HG2 PRO 16 2HG PRO 16 -1.360 -7.789 -0.054
90 HG3 PRO 16 3HG PRO 16 -1.134 -7.427 -1.774
91 HD2 PRO 16 2HD PRO 16 0.848 -7.352 0.442
92 HD3 PRO 16 3HD PRO 16 1.085 -7.715 -1.281
93 H CYS 17 H CYS 17 -1.531 -3.069 0.987
94 HA CYS 17 HA CYS 17 0.238 -2.981 3.273
95 HB2 CYS 17 2HB CYS 17 -2.480 -1.673 3.049
96 HB3 CYS 17 3HB CYS 17 -1.149 -1.209 4.101
97 H CYS 18 H CYS 18 0.139 -4.352 4.935
98 HA CYS 18 HA CYS 18 -2.146 -6.096 5.258
99 HB2 CYS 18 2HB CYS 18 -0.770 -7.246 6.966
100 HB3 CYS 18 3HB CYS 18 0.015 -7.129 5.397
101 HA PRO 19 HA PRO 19 -2.490 -3.835 9.491
102 HB2 PRO 19 2HB PRO 19 -1.299 -1.213 9.359
103 HB3 PRO 19 3HB PRO 19 -0.804 -2.577 10.367
104 HG2 PRO 19 2HG PRO 19 0.707 -1.544 8.336
105 HG3 PRO 19 3HG PRO 19 0.842 -3.203 8.949
106 HD2 PRO 19 2HD PRO 19 -0.581 -2.203 6.518
107 HD3 PRO 19 3HD PRO 19 0.397 -3.672 6.732
108 HA PRO 20 HA PRO 20 -6.011 -1.257 8.432
109 HB2 PRO 20 2HB PRO 20 -5.501 0.779 10.525
110 HB3 PRO 20 3HB PRO 20 -6.884 -0.314 10.329
111 HG2 PRO 20 2HG PRO 20 -5.125 -0.700 12.268
112 HG3 PRO 20 3HG PRO 20 -5.828 -2.069 11.382
113 HD2 PRO 20 2HD PRO 20 -3.136 -0.796 11.047
114 HD3 PRO 20 3HD PRO 20 -3.568 -2.519 11.099
115 H LEU 21 H LEU 21 -4.271 -0.668 6.614
116 HA LEU 21 HA LEU 21 -4.493 2.232 6.201
117 HB2 LEU 21 2HB LEU 21 -2.048 0.558 5.596
118 HB3 LEU 21 3HB LEU 21 -2.290 2.189 5.022
119 HG LEU 21 HG LEU 21 -0.814 2.429 6.798
120 HD11 LEU 21 1HD1 LEU 21 -3.481 2.887 8.108
121 HD12 LEU 21 2HD1 LEU 21 -2.667 4.006 7.014
122 HD13 LEU 21 3HD1 LEU 21 -1.941 3.607 8.570
123 HD21 LEU 21 3HD2 LEU 21 -0.914 0.188 7.661
124 HD22 LEU 21 1HD2 LEU 21 -2.481 0.515 8.405
125 HD23 LEU 21 2HD2 LEU 21 -1.038 1.354 8.978
126 H THR 22 H THR 22 -4.434 2.860 3.952
127 HA THR 22 HA THR 22 -5.438 0.743 2.172
128 HB THR 22 HB THR 22 -7.211 2.298 2.646
129 HG1 THR 22 HG1 THR 22 -7.037 3.372 0.275
130 HG21 THR 22 3HG2 THR 22 -5.888 4.236 3.346
131 HG22 THR 22 1HG2 THR 22 -7.101 4.677 2.144
132 HG23 THR 22 2HG2 THR 22 -5.409 4.508 1.672
133 H CYS 23 H CYS 23 -5.002 1.047 -0.143
134 HA CYS 23 HA CYS 23 -2.287 2.074 -0.537
135 HB2 CYS 23 2HB CYS 23 -3.054 -0.336 -1.112
136 HB3 CYS 23 3HB CYS 23 -3.805 0.404 -2.519
137 H ILE 24 H ILE 24 -2.312 4.156 -1.095
138 HA ILE 24 HA ILE 24 -3.952 4.962 -3.393
139 HB ILE 24 HB ILE 24 -3.318 6.840 -1.107
140 HG12 ILE 24 2HG1 ILE 24 -5.995 5.539 -1.624
141 HG13 ILE 24 3HG1 ILE 24 -4.846 4.925 -0.458
142 HG21 ILE 24 1HG2 ILE 24 -3.712 7.889 -3.299
143 HG22 ILE 24 2HG2 ILE 24 -4.980 8.296 -2.142
144 HG23 ILE 24 3HG2 ILE 24 -5.283 7.089 -3.391
145 HD11 ILE 24 3HD1 ILE 24 -4.980 7.055 0.764
146 HD12 ILE 24 1HD1 ILE 24 -6.541 6.246 0.644
147 HD13 ILE 24 2HD1 ILE 24 -6.178 7.623 -0.394
148 HA PRO 25 HA PRO 25 -3.976 6.275 -5.133
149 HB2 PRO 25 2HB PRO 25 -2.923 5.844 -7.625
150 HB3 PRO 25 3HB PRO 25 -2.994 7.444 -6.861
151 HG2 PRO 25 2HG PRO 25 -0.703 5.541 -7.037
152 HG3 PRO 25 3HG PRO 25 -0.725 7.301 -7.265
153 HD2 PRO 25 2HD PRO 25 0.120 6.183 -4.968
154 HD3 PRO 25 3HD PRO 25 -0.735 7.734 -4.995
155 H GLY 26 H GLY 26 -1.423 3.916 -6.085
156 HA2 GLY 26 2HA GLY 26 -1.517 1.589 -5.997
157 HA3 GLY 26 3HA GLY 26 -3.187 1.696 -5.471
158 H ASP 27 H ASP 27 -1.892 3.238 -8.366
159 HA ASP 27 HA ASP 27 -3.172 1.217 -10.057
160 HB2 ASP 27 2HB ASP 27 -3.831 4.162 -10.114
161 HB3 ASP 27 3HB ASP 27 -4.202 3.070 -11.444
162 HA PRO 28 HA PRO 28 -1.767 -0.234 -10.362
163 HB2 PRO 28 2HB PRO 28 0.939 -1.109 -10.725
164 HB3 PRO 28 3HB PRO 28 -0.480 -1.544 -11.690
165 HG2 PRO 28 2HG PRO 28 1.642 -0.072 -12.622
166 HG3 PRO 28 3HG PRO 28 0.012 -0.055 -13.318
167 HD2 PRO 28 2HD PRO 28 1.293 1.914 -11.475
168 HD3 PRO 28 3HD PRO 28 0.201 2.194 -12.847
169 H TYR 29 H TYR 29 1.139 1.625 -9.575
170 HA TYR 29 HA TYR 29 1.484 0.302 -7.008
171 HB2 TYR 29 2HB TYR 29 3.012 2.570 -8.301
172 HB3 TYR 29 3HB TYR 29 3.438 1.823 -6.768
173 HD1 TYR 29 HD1 TYR 29 3.197 1.246 -10.411
174 HD2 TYR 29 HD2 TYR 29 4.618 -0.244 -6.689
175 HE1 TYR 29 HE1 TYR 29 4.539 -0.431 -11.605
176 HE2 TYR 29 HE2 TYR 29 5.967 -1.925 -7.872
177 HH TYR 29 HH TYR 29 6.539 -1.807 -11.214
178 H GLY 30 H GLY 30 1.499 1.417 -4.998
179 HA2 GLY 30 2HA GLY 30 0.285 4.057 -4.895
180 HA3 GLY 30 3HA GLY 30 -0.649 2.753 -4.196
181 H ILE 31 H ILE 31 -0.428 4.188 -2.282
182 HA ILE 31 HA ILE 31 1.960 3.433 -0.725
183 HB ILE 31 HB ILE 31 0.634 6.123 -0.395
184 HG12 ILE 31 2HG1 ILE 31 1.534 6.127 -2.675
185 HG13 ILE 31 3HG1 ILE 31 2.448 7.211 -1.644
186 HG21 ILE 31 1HG2 ILE 31 3.318 5.111 0.524
187 HG22 ILE 31 2HG2 ILE 31 1.894 5.392 1.525
188 HG23 ILE 31 3HG2 ILE 31 2.714 6.752 0.758
189 HD11 ILE 31 3HD1 ILE 31 3.952 6.064 -3.115
190 HD12 ILE 31 1HD1 ILE 31 3.306 4.495 -2.634
191 HD13 ILE 31 2HD1 ILE 31 4.216 5.467 -1.477
192 H CYS 32 H CYS 32 1.565 3.282 1.579
193 HA CYS 32 HA CYS 32 -1.157 2.459 2.187
194 HB2 CYS 32 2HB CYS 32 1.363 2.303 3.855
195 HB3 CYS 32 3HB CYS 32 -0.187 1.607 4.301
196 H TYR 33 H TYR 33 -2.453 4.203 2.496
197 HA TYR 33 HA TYR 33 -1.567 6.262 4.409
198 HB2 TYR 33 2HB TYR 33 -3.409 6.267 2.064
199 HB3 TYR 33 3HB TYR 33 -3.713 7.410 3.366
200 HD1 TYR 33 HD2 TYR 33 -1.821 9.002 4.019
201 HD2 TYR 33 HD1 TYR 33 -1.776 6.723 0.421
202 HE1 TYR 33 HE2 TYR 33 -0.158 10.542 3.067
203 HE2 TYR 33 HE1 TYR 33 -0.121 8.260 -0.536
204 HH TYR 33 HH TYR 33 1.575 10.533 1.323
205 H ILE 34 H ILE 34 -3.079 7.065 5.972
206 HA ILE 34 HA ILE 34 -4.805 4.959 7.014
207 HB ILE 34 HB ILE 34 -3.110 6.036 8.498
208 HG12 ILE 34 2HG1 ILE 34 -5.764 6.683 9.710
209 HG13 ILE 34 3HG1 ILE 34 -5.467 5.033 9.189
210 HG21 ILE 34 1HG2 ILE 34 -3.215 8.328 7.715
211 HG22 ILE 34 2HG2 ILE 34 -3.543 8.262 9.446
212 HG23 ILE 34 3HG2 ILE 34 -4.871 8.481 8.306
213 HD11 ILE 34 3HD1 ILE 34 -3.811 6.580 11.172
214 HD12 ILE 34 1HD1 ILE 34 -3.511 4.923 10.648
215 HD13 ILE 34 2HD1 ILE 34 -4.977 5.312 11.549
216 H ILE 35 H ILE 35 -6.964 5.038 7.091
217 HA ILE 35 HA ILE 35 -8.317 7.537 6.339
218 HB ILE 35 HB ILE 35 -10.067 6.072 5.173
219 HG12 ILE 35 2HG1 ILE 35 -8.546 4.080 4.062
220 HG13 ILE 35 3HG1 ILE 35 -7.982 4.054 5.730
221 HG21 ILE 35 1HG2 ILE 35 -8.830 6.128 3.059
222 HG22 ILE 35 2HG2 ILE 35 -7.334 6.400 3.952
223 HG23 ILE 35 3HG2 ILE 35 -8.619 7.607 3.996
224 HD11 ILE 35 3HD1 ILE 35 -9.794 2.480 5.384
225 HD12 ILE 35 1HD1 ILE 35 -10.840 3.786 4.826
226 HD13 ILE 35 2HD1 ILE 35 -10.279 3.759 6.497
Start of MODEL 16
1 H1 PCA 1 H1 PCA 1 6.410 -14.307 5.371
2 HA PCA 1 HA PCA 1 6.742 -12.899 3.492
3 HB2 PCA 1 3HB PCA 1 4.586 -13.112 2.511
4 HB3 PCA 1 2HB PCA 1 4.324 -11.464 3.201
5 HG2 PCA 1 3HG PCA 1 2.821 -13.121 4.211
6 HG3 PCA 1 2HG PCA 1 3.419 -14.285 3.011
7 H ASP 2 H ASP 2 7.004 -10.547 3.234
8 HA ASP 2 HA ASP 2 6.868 -9.108 5.793
9 HB2 ASP 2 2HB ASP 2 8.874 -8.912 3.541
10 HB3 ASP 2 3HB ASP 2 8.766 -7.719 4.830
11 H CYS 3 H CYS 3 4.944 -8.122 5.607
12 HA CYS 3 HA CYS 3 4.212 -6.648 3.226
13 HB2 CYS 3 2HB CYS 3 2.112 -6.181 4.466
14 HB3 CYS 3 3HB CYS 3 2.471 -7.900 4.338
15 HA PRO 4 HA PRO 4 5.701 -2.660 4.539
16 HB2 PRO 4 2HB PRO 4 3.964 -1.033 3.219
17 HB3 PRO 4 3HB PRO 4 5.230 -1.955 2.384
18 HG2 PRO 4 2HG PRO 4 2.334 -2.602 2.709
19 HG3 PRO 4 3HG PRO 4 3.338 -2.686 1.252
20 HD2 PRO 4 2HD PRO 4 2.780 -4.882 2.684
21 HD3 PRO 4 3HD PRO 4 4.355 -4.657 1.900
22 H GLY 5 H GLY 5 5.054 -0.613 5.577
23 HA2 GLY 5 2HA GLY 5 2.758 -0.981 7.402
24 HA3 GLY 5 3HA GLY 5 4.229 -0.116 7.821
25 H GLU 6 H GLU 6 2.853 1.686 8.421
26 HA GLU 6 HA GLU 6 1.292 3.027 6.405
27 HB2 GLU 6 2HB GLU 6 0.760 3.028 8.869
28 HB3 GLU 6 3HB GLU 6 2.141 4.084 9.109
29 HG2 GLU 6 2HG GLU 6 1.093 5.780 7.690
30 HG3 GLU 6 3HG GLU 6 -0.296 4.723 7.448
31 H GLY 7 H GLY 7 2.013 4.373 4.917
32 HA2 GLY 7 2HA GLY 7 3.171 6.265 4.116
33 HA3 GLY 7 3HA GLY 7 4.267 6.152 5.482
34 H GLU 8 H GLU 8 3.481 3.425 3.426
35 HA GLU 8 HA GLU 8 6.136 3.587 2.165
36 HB2 GLU 8 2HB GLU 8 5.712 1.862 4.152
37 HB3 GLU 8 3HB GLU 8 5.012 0.912 2.852
38 HG2 GLU 8 2HG GLU 8 7.114 1.031 1.620
39 HG3 GLU 8 3HG GLU 8 7.817 2.000 2.913
40 H GLN 9 H GLN 9 6.287 2.094 0.220
41 HA GLN 9 HA GLN 9 4.033 2.604 -1.499
42 HB2 GLN 9 2HB GLN 9 6.528 2.784 -2.101
43 HB3 GLN 9 3HB GLN 9 6.489 1.035 -2.252
44 HG2 GLN 9 2HG GLN 9 4.761 1.220 -3.974
45 HG3 GLN 9 3HG GLN 9 4.806 2.978 -3.824
46 HE21 GLN 9 1HE2 GLN 9 6.576 4.109 -4.614
47 HE22 GLN 9 2HE2 GLN 9 7.706 3.402 -5.714
48 H CYS 10 H CYS 10 2.535 1.252 -2.199
49 HA CYS 10 HA CYS 10 2.790 -1.622 -1.610
50 HB2 CYS 10 2HB CYS 10 0.242 -1.561 -1.359
51 HB3 CYS 10 3HB CYS 10 1.182 -0.856 -0.049
52 H ASP 11 H ASP 11 2.674 -2.872 -3.359
53 HA ASP 11 HA ASP 11 1.599 -1.694 -5.826
54 HB2 ASP 11 2HB ASP 11 2.874 -3.524 -7.001
55 HB3 ASP 11 3HB ASP 11 3.866 -2.351 -6.152
56 H VAL 12 H VAL 12 0.378 -3.002 -7.293
57 HA VAL 12 HA VAL 12 -1.590 -4.613 -5.902
58 HB VAL 12 HB VAL 12 -2.759 -4.634 -8.168
59 HG11 VAL 12 1HG1 VAL 12 -2.191 -1.988 -6.844
60 HG12 VAL 12 2HG1 VAL 12 -3.442 -3.146 -6.393
61 HG13 VAL 12 3HG1 VAL 12 -3.532 -2.309 -7.944
62 HG21 VAL 12 3HG2 VAL 12 -2.092 -2.918 -9.794
63 HG22 VAL 12 1HG2 VAL 12 -0.849 -4.155 -9.613
64 HG23 VAL 12 2HG2 VAL 12 -0.644 -2.581 -8.845
65 H GLU 13 H GLU 13 1.256 -5.560 -6.693
66 HA GLU 13 HA GLU 13 0.555 -7.910 -8.290
67 HB2 GLU 13 2HB GLU 13 3.204 -6.696 -7.524
68 HB3 GLU 13 3HB GLU 13 3.083 -8.296 -8.240
69 HG2 GLU 13 2HG GLU 13 3.521 -6.953 -10.066
70 HG3 GLU 13 3HG GLU 13 1.766 -7.100 -10.116
71 H PHE 14 H PHE 14 2.624 -7.350 -5.394
72 HA PHE 14 HA PHE 14 1.329 -9.565 -4.027
73 HB2 PHE 14 2HB PHE 14 3.368 -10.322 -5.559
74 HB3 PHE 14 3HB PHE 14 4.306 -9.777 -4.172
75 HD1 PHE 14 HD1 PHE 14 1.862 -12.219 -5.380
76 HD2 PHE 14 HD2 PHE 14 4.261 -10.974 -2.095
77 HE1 PHE 14 HE1 PHE 14 1.443 -14.375 -4.260
78 HE2 PHE 14 HE2 PHE 14 3.849 -13.123 -0.969
79 HZ PHE 14 HZ PHE 14 2.439 -14.825 -2.051
80 H ASN 15 H ASN 15 2.589 -6.531 -3.859
81 HA ASN 15 HA ASN 15 3.289 -6.841 -1.013
82 HB2 ASN 15 2HB ASN 15 5.094 -6.064 -2.733
83 HB3 ASN 15 3HB ASN 15 4.267 -4.514 -2.636
84 HD21 ASN 15 1HD2 ASN 15 4.315 -3.353 -0.711
85 HD22 ASN 15 2HD2 ASN 15 5.454 -3.700 0.541
86 HA PRO 16 HA PRO 16 -0.297 -3.914 -0.975
87 HB2 PRO 16 2HB PRO 16 -2.036 -5.665 0.349
88 HB3 PRO 16 3HB PRO 16 -1.997 -5.389 -1.399
89 HG2 PRO 16 2HG PRO 16 -1.358 -7.783 -0.051
90 HG3 PRO 16 3HG PRO 16 -1.131 -7.426 -1.772
91 HD2 PRO 16 2HD PRO 16 0.848 -7.347 0.444
92 HD3 PRO 16 3HD PRO 16 1.087 -7.712 -1.279
93 H CYS 17 H CYS 17 -1.533 -3.068 0.984
94 HA CYS 17 HA CYS 17 0.235 -2.981 3.273
95 HB2 CYS 17 2HB CYS 17 -2.481 -1.668 3.045
96 HB3 CYS 17 3HB CYS 17 -1.150 -1.207 4.099
97 H CYS 18 H CYS 18 0.131 -4.354 4.935
98 HA CYS 18 HA CYS 18 -2.160 -6.092 5.252
99 HB2 CYS 18 2HB CYS 18 -0.791 -7.253 6.953
100 HB3 CYS 18 3HB CYS 18 0.004 -7.126 5.390
101 HA PRO 19 HA PRO 19 -2.496 -3.836 9.489
102 HB2 PRO 19 2HB PRO 19 -1.302 -1.214 9.357
103 HB3 PRO 19 3HB PRO 19 -0.808 -2.579 10.365
104 HG2 PRO 19 2HG PRO 19 0.704 -1.550 8.334
105 HG3 PRO 19 3HG PRO 19 0.836 -3.210 8.946
106 HD2 PRO 19 2HD PRO 19 -0.586 -2.204 6.517
107 HD3 PRO 19 3HD PRO 19 0.389 -3.675 6.729
108 HA PRO 20 HA PRO 20 -6.014 -1.251 8.435
109 HB2 PRO 20 2HB PRO 20 -5.497 0.785 10.527
110 HB3 PRO 20 3HB PRO 20 -6.882 -0.305 10.332
111 HG2 PRO 20 2HG PRO 20 -5.123 -0.693 12.269
112 HG3 PRO 20 3HG PRO 20 -5.830 -2.062 11.383
113 HD2 PRO 20 2HD PRO 20 -3.136 -0.795 11.046
114 HD3 PRO 20 3HD PRO 20 -3.570 -2.517 11.099
115 H LEU 21 H LEU 21 -4.269 -0.666 6.616
116 HA LEU 21 HA LEU 21 -4.491 2.234 6.201
117 HB2 LEU 21 2HB LEU 21 -2.046 0.558 5.598
118 HB3 LEU 21 3HB LEU 21 -2.287 2.190 5.024
119 HG LEU 21 HG LEU 21 -0.811 2.429 6.800
120 HD11 LEU 21 1HD1 LEU 21 -3.479 2.889 8.108
121 HD12 LEU 21 2HD1 LEU 21 -2.663 4.007 7.015
122 HD13 LEU 21 3HD1 LEU 21 -1.937 3.608 8.571
123 HD21 LEU 21 3HD2 LEU 21 -1.044 1.356 8.984
124 HD22 LEU 21 1HD2 LEU 21 -0.905 0.191 7.666
125 HD23 LEU 21 2HD2 LEU 21 -2.479 0.510 8.399
126 H THR 22 H THR 22 -4.431 2.862 3.953
127 HA THR 22 HA THR 22 -5.436 0.744 2.174
128 HB THR 22 HB THR 22 -7.209 2.299 2.646
129 HG1 THR 22 HG1 THR 22 -7.113 1.603 0.484
130 HG21 THR 22 3HG2 THR 22 -5.406 4.509 1.674
131 HG22 THR 22 1HG2 THR 22 -5.887 4.237 3.347
132 HG23 THR 22 2HG2 THR 22 -7.098 4.679 2.145
133 H CYS 23 H CYS 23 -5.002 1.050 -0.144
134 HA CYS 23 HA CYS 23 -2.286 2.075 -0.536
135 HB2 CYS 23 2HB CYS 23 -3.051 -0.335 -1.109
136 HB3 CYS 23 3HB CYS 23 -3.805 0.404 -2.517
137 H ILE 24 H ILE 24 -2.312 4.157 -1.094
138 HA ILE 24 HA ILE 24 -3.952 4.963 -3.392
139 HB ILE 24 HB ILE 24 -3.316 6.842 -1.106
140 HG12 ILE 24 2HG1 ILE 24 -5.994 5.542 -1.621
141 HG13 ILE 24 3HG1 ILE 24 -4.844 4.927 -0.455
142 HG21 ILE 24 1HG2 ILE 24 -5.283 7.091 -3.389
143 HG22 ILE 24 2HG2 ILE 24 -3.712 7.889 -3.299
144 HG23 ILE 24 3HG2 ILE 24 -4.976 8.297 -2.140
145 HD11 ILE 24 3HD1 ILE 24 -6.538 6.249 0.647
146 HD12 ILE 24 1HD1 ILE 24 -6.177 7.625 -0.393
147 HD13 ILE 24 2HD1 ILE 24 -4.977 7.058 0.765
148 HA PRO 25 HA PRO 25 -3.978 6.277 -5.131
149 HB2 PRO 25 2HB PRO 25 -2.929 5.844 -7.624
150 HB3 PRO 25 3HB PRO 25 -2.996 7.444 -6.861
151 HG2 PRO 25 2HG PRO 25 -0.708 5.539 -7.038
152 HG3 PRO 25 3HG PRO 25 -0.729 7.298 -7.267
153 HD2 PRO 25 2HD PRO 25 0.118 6.183 -4.971
154 HD3 PRO 25 3HD PRO 25 -0.736 7.732 -4.998
155 H GLY 26 H GLY 26 -1.429 3.915 -6.084
156 HA2 GLY 26 2HA GLY 26 -1.525 1.588 -5.997
157 HA3 GLY 26 3HA GLY 26 -3.194 1.696 -5.468
158 H ASP 27 H ASP 27 -1.900 3.236 -8.367
159 HA ASP 27 HA ASP 27 -3.188 1.217 -10.055
160 HB2 ASP 27 2HB ASP 27 -3.837 4.165 -10.114
161 HB3 ASP 27 3HB ASP 27 -4.215 3.074 -11.441
162 HA PRO 28 HA PRO 28 -1.785 -0.236 -10.352
163 HB2 PRO 28 2HB PRO 28 0.916 -1.121 -10.718
164 HB3 PRO 28 3HB PRO 28 -0.506 -1.553 -11.681
165 HG2 PRO 28 2HG PRO 28 1.623 -0.089 -12.614
166 HG3 PRO 28 3HG PRO 28 -0.006 -0.070 -13.313
167 HD2 PRO 28 2HD PRO 28 1.278 1.903 -11.476
168 HD3 PRO 28 3HD PRO 28 0.185 2.179 -12.848
169 H TYR 29 H TYR 29 1.129 1.617 -9.577
170 HA TYR 29 HA TYR 29 1.479 0.303 -7.009
171 HB2 TYR 29 2HB TYR 29 2.999 2.571 -8.308
172 HB3 TYR 29 3HB TYR 29 3.430 1.828 -6.776
173 HD1 TYR 29 HD2 TYR 29 3.185 1.245 -10.417
174 HD2 TYR 29 HD1 TYR 29 4.616 -0.236 -6.696
175 HE1 TYR 29 HE2 TYR 29 4.526 -0.433 -11.610
176 HE2 TYR 29 HE1 TYR 29 5.965 -1.919 -7.878
177 HH TYR 29 HH TYR 29 5.983 -3.070 -10.050
178 H GLY 30 H GLY 30 1.494 1.416 -5.001
179 HA2 GLY 30 2HA GLY 30 0.280 4.056 -4.897
180 HA3 GLY 30 3HA GLY 30 -0.653 2.752 -4.196
181 H ILE 31 H ILE 31 -0.431 4.186 -2.282
182 HA ILE 31 HA ILE 31 1.960 3.433 -0.729
183 HB ILE 31 HB ILE 31 0.633 6.121 -0.394
184 HG12 ILE 31 2HG1 ILE 31 1.528 6.125 -2.678
185 HG13 ILE 31 3HG1 ILE 31 2.443 7.211 -1.648
186 HG21 ILE 31 1HG2 ILE 31 1.898 5.390 1.522
187 HG22 ILE 31 2HG2 ILE 31 2.716 6.750 0.754
188 HG23 ILE 31 3HG2 ILE 31 3.321 5.110 0.517
189 HD11 ILE 31 3HD1 ILE 31 4.215 5.473 -1.487
190 HD12 ILE 31 1HD1 ILE 31 3.942 6.065 -3.126
191 HD13 ILE 31 2HD1 ILE 31 3.304 4.496 -2.638
192 H CYS 32 H CYS 32 1.567 3.282 1.577
193 HA CYS 32 HA CYS 32 -1.154 2.457 2.188
194 HB2 CYS 32 2HB CYS 32 1.368 2.303 3.854
195 HB3 CYS 32 3HB CYS 32 -0.182 1.607 4.302
196 H TYR 33 H TYR 33 -2.448 4.204 2.495
197 HA TYR 33 HA TYR 33 -1.562 6.262 4.408
198 HB2 TYR 33 2HB TYR 33 -3.406 6.268 2.064
199 HB3 TYR 33 3HB TYR 33 -3.709 7.412 3.366
200 HD1 TYR 33 HD2 TYR 33 -1.816 9.001 4.019
201 HD2 TYR 33 HD1 TYR 33 -1.772 6.723 0.420
202 HE1 TYR 33 HE2 TYR 33 -0.154 10.541 3.066
203 HE2 TYR 33 HE1 TYR 33 -0.119 8.260 -0.539
204 HH TYR 33 HH TYR 33 1.578 10.535 1.322
205 H ILE 34 H ILE 34 -3.074 7.067 5.971
206 HA ILE 34 HA ILE 34 -4.801 4.961 7.015
207 HB ILE 34 HB ILE 34 -3.104 6.036 8.498
208 HG12 ILE 34 2HG1 ILE 34 -5.755 6.685 9.712
209 HG13 ILE 34 3HG1 ILE 34 -5.462 5.034 9.189
210 HG21 ILE 34 1HG2 ILE 34 -3.536 8.262 9.448
211 HG22 ILE 34 2HG2 ILE 34 -4.863 8.482 8.307
212 HG23 ILE 34 3HG2 ILE 34 -3.209 8.329 7.716
213 HD11 ILE 34 3HD1 ILE 34 -3.801 6.577 11.172
214 HD12 ILE 34 1HD1 ILE 34 -3.503 4.920 10.645
215 HD13 ILE 34 2HD1 ILE 34 -4.968 5.308 11.548
216 H ILE 35 H ILE 35 -6.959 5.042 7.093
217 HA ILE 35 HA ILE 35 -8.310 7.541 6.340
218 HB ILE 35 HB ILE 35 -10.063 6.073 5.180
219 HG12 ILE 35 2HG1 ILE 35 -8.540 4.081 4.070
220 HG13 ILE 35 3HG1 ILE 35 -7.982 4.055 5.740
221 HG21 ILE 35 1HG2 ILE 35 -8.831 6.125 3.063
222 HG22 ILE 35 2HG2 ILE 35 -7.334 6.402 3.954
223 HG23 ILE 35 3HG2 ILE 35 -8.620 7.607 3.996
224 HD11 ILE 35 3HD1 ILE 35 -10.280 3.761 6.501
225 HD12 ILE 35 1HD1 ILE 35 -9.792 2.482 5.389
226 HD13 ILE 35 2HD1 ILE 35 -10.837 3.788 4.827
Start of MODEL 17
1 H1 PCA 1 H1 PCA 1 5.165 -14.231 6.275
2 HA PCA 1 HA PCA 1 6.029 -12.999 4.441
3 HB2 PCA 1 3HB PCA 1 4.100 -13.034 3.051
4 HB3 PCA 1 2HB PCA 1 3.902 -11.328 3.608
5 HG2 PCA 1 3HG PCA 1 2.044 -12.749 4.351
6 HG3 PCA 1 2HG PCA 1 2.731 -14.046 3.352
7 H ASP 2 H ASP 2 6.513 -10.654 4.084
8 HA ASP 2 HA ASP 2 6.192 -9.116 6.560
9 HB2 ASP 2 2HB ASP 2 8.263 -7.872 5.798
10 HB3 ASP 2 3HB ASP 2 8.514 -9.555 6.235
11 H CYS 3 H CYS 3 4.361 -8.037 6.189
12 HA CYS 3 HA CYS 3 3.820 -6.643 3.730
13 HB2 CYS 3 2HB CYS 3 2.359 -6.595 6.372
14 HB3 CYS 3 3HB CYS 3 1.769 -5.887 4.879
15 HA PRO 4 HA PRO 4 5.612 -2.681 4.710
16 HB2 PRO 4 2HB PRO 4 3.943 -1.034 3.308
17 HB3 PRO 4 3HB PRO 4 5.158 -2.066 2.529
18 HG2 PRO 4 2HG PRO 4 2.231 -2.522 2.861
19 HG3 PRO 4 3HG PRO 4 3.256 -2.796 1.439
20 HD2 PRO 4 2HD PRO 4 2.512 -4.813 3.061
21 HD3 PRO 4 3HD PRO 4 4.092 -4.783 2.252
22 H GLY 5 H GLY 5 5.186 -0.595 5.716
23 HA2 GLY 5 2HA GLY 5 2.927 -0.717 7.608
24 HA3 GLY 5 3HA GLY 5 4.429 0.156 7.875
25 H GLU 6 H GLU 6 2.979 1.955 8.430
26 HA GLU 6 HA GLU 6 1.409 3.183 6.349
27 HB2 GLU 6 2HB GLU 6 0.934 3.268 8.854
28 HB3 GLU 6 3HB GLU 6 2.235 4.443 8.965
29 HG2 GLU 6 2HG GLU 6 1.016 5.921 7.430
30 HG3 GLU 6 3HG GLU 6 -0.296 4.746 7.356
31 H GLY 7 H GLY 7 2.121 4.470 4.808
32 HA2 GLY 7 2HA GLY 7 3.268 6.339 3.932
33 HA3 GLY 7 3HA GLY 7 4.376 6.274 5.293
34 H GLU 8 H GLU 8 3.539 3.501 3.310
35 HA GLU 8 HA GLU 8 6.212 3.561 2.080
36 HB2 GLU 8 2HB GLU 8 5.677 1.872 4.074
37 HB3 GLU 8 3HB GLU 8 4.973 0.936 2.765
38 HG2 GLU 8 2HG GLU 8 7.107 0.973 1.580
39 HG3 GLU 8 3HG GLU 8 7.815 1.919 2.889
40 H GLN 9 H GLN 9 6.352 2.099 0.136
41 HA GLN 9 HA GLN 9 4.113 2.628 -1.606
42 HB2 GLN 9 2HB GLN 9 6.607 2.824 -2.192
43 HB3 GLN 9 3HB GLN 9 6.591 1.072 -2.331
44 HG2 GLN 9 2HG GLN 9 4.838 1.250 -4.055
45 HG3 GLN 9 3HG GLN 9 4.944 3.008 -3.949
46 HE21 GLN 9 1HE2 GLN 9 6.527 0.093 -4.983
47 HE22 GLN 9 2HE2 GLN 9 7.727 0.850 -5.969
48 H CYS 10 H CYS 10 2.577 1.283 -2.226
49 HA CYS 10 HA CYS 10 2.873 -1.596 -1.677
50 HB2 CYS 10 2HB CYS 10 0.332 -1.558 -1.385
51 HB3 CYS 10 3HB CYS 10 1.284 -0.844 -0.090
52 H ASP 11 H ASP 11 2.733 -2.847 -3.417
53 HA ASP 11 HA ASP 11 1.631 -1.682 -5.875
54 HB2 ASP 11 2HB ASP 11 2.890 -3.514 -7.056
55 HB3 ASP 11 3HB ASP 11 3.897 -2.351 -6.209
56 H VAL 12 H VAL 12 0.411 -3.021 -7.333
57 HA VAL 12 HA VAL 12 -1.567 -4.596 -5.913
58 HB VAL 12 HB VAL 12 -2.732 -4.652 -8.181
59 HG11 VAL 12 1HG1 VAL 12 -3.409 -3.131 -6.431
60 HG12 VAL 12 2HG1 VAL 12 -3.498 -2.324 -7.998
61 HG13 VAL 12 3HG1 VAL 12 -2.155 -1.985 -6.906
62 HG21 VAL 12 3HG2 VAL 12 -0.815 -4.210 -9.629
63 HG22 VAL 12 1HG2 VAL 12 -0.605 -2.623 -8.889
64 HG23 VAL 12 2HG2 VAL 12 -2.051 -2.969 -9.837
65 H GLU 13 H GLU 13 1.265 -5.586 -6.650
66 HA GLU 13 HA GLU 13 0.537 -7.968 -8.198
67 HB2 GLU 13 2HB GLU 13 3.198 -6.714 -7.549
68 HB3 GLU 13 3HB GLU 13 3.069 -8.338 -8.208
69 HG2 GLU 13 2HG GLU 13 1.926 -7.450 -10.177
70 HG3 GLU 13 3HG GLU 13 2.054 -5.820 -9.514
71 H PHE 14 H PHE 14 2.677 -7.318 -5.371
72 HA PHE 14 HA PHE 14 1.432 -9.515 -3.927
73 HB2 PHE 14 2HB PHE 14 3.459 -10.277 -5.469
74 HB3 PHE 14 3HB PHE 14 4.408 -9.680 -4.111
75 HD1 PHE 14 HD1 PHE 14 1.974 -12.186 -5.210
76 HD2 PHE 14 HD2 PHE 14 4.425 -10.825 -2.010
77 HE1 PHE 14 HE1 PHE 14 1.606 -14.317 -4.025
78 HE2 PHE 14 HE2 PHE 14 4.065 -12.949 -0.819
79 HZ PHE 14 HZ PHE 14 2.654 -14.697 -1.825
80 H ASN 15 H ASN 15 2.571 -6.455 -3.829
81 HA ASN 15 HA ASN 15 3.308 -6.680 -0.987
82 HB2 ASN 15 2HB ASN 15 5.120 -5.952 -2.710
83 HB3 ASN 15 3HB ASN 15 4.279 -4.405 -2.692
84 HD21 ASN 15 1HD2 ASN 15 4.297 -3.158 -0.820
85 HD22 ASN 15 2HD2 ASN 15 5.427 -3.437 0.457
86 HA PRO 16 HA PRO 16 -0.300 -3.761 -1.098
87 HB2 PRO 16 2HB PRO 16 -2.110 -5.513 0.128
88 HB3 PRO 16 3HB PRO 16 -1.994 -5.209 -1.614
89 HG2 PRO 16 2HG PRO 16 -1.438 -7.632 -0.282
90 HG3 PRO 16 3HG PRO 16 -1.126 -7.247 -1.984
91 HD2 PRO 16 2HD PRO 16 0.747 -7.222 0.326
92 HD3 PRO 16 3HD PRO 16 1.064 -7.567 -1.389
93 H CYS 17 H CYS 17 -1.629 -2.938 0.821
94 HA CYS 17 HA CYS 17 0.028 -2.973 3.207
95 HB2 CYS 17 2HB CYS 17 -2.561 -1.448 2.867
96 HB3 CYS 17 3HB CYS 17 -1.241 -1.108 3.978
97 H CYS 18 H CYS 18 -0.222 -4.686 4.504
98 HA CYS 18 HA CYS 18 -2.735 -6.056 4.796
99 HB2 CYS 18 2HB CYS 18 -0.159 -6.498 6.309
100 HB3 CYS 18 3HB CYS 18 -1.548 -7.576 6.284
101 HA PRO 19 HA PRO 19 -2.496 -4.142 9.294
102 HB2 PRO 19 2HB PRO 19 -1.051 -1.602 8.899
103 HB3 PRO 19 3HB PRO 19 -0.794 -2.849 10.127
104 HG2 PRO 19 2HG PRO 19 0.979 -2.431 8.186
105 HG3 PRO 19 3HG PRO 19 0.636 -4.059 8.807
106 HD2 PRO 19 2HD PRO 19 -0.383 -2.747 6.315
107 HD3 PRO 19 3HD PRO 19 0.262 -4.385 6.538
108 HA PRO 20 HA PRO 20 -5.890 -1.286 8.581
109 HB2 PRO 20 2HB PRO 20 -5.055 0.682 10.634
110 HB3 PRO 20 3HB PRO 20 -6.520 -0.315 10.556
111 HG2 PRO 20 2HG PRO 20 -4.625 -0.842 12.325
112 HG3 PRO 20 3HG PRO 20 -5.493 -2.151 11.494
113 HD2 PRO 20 2HD PRO 20 -2.767 -1.047 10.922
114 HD3 PRO 20 3HD PRO 20 -3.299 -2.739 11.010
115 H LEU 21 H LEU 21 -4.037 -0.769 6.691
116 HA LEU 21 HA LEU 21 -4.306 2.127 6.267
117 HB2 LEU 21 2HB LEU 21 -1.843 0.487 5.641
118 HB3 LEU 21 3HB LEU 21 -2.112 2.121 5.084
119 HG LEU 21 HG LEU 21 -0.633 2.374 6.854
120 HD11 LEU 21 1HD1 LEU 21 -1.764 3.514 8.640
121 HD12 LEU 21 2HD1 LEU 21 -3.292 2.748 8.208
122 HD13 LEU 21 3HD1 LEU 21 -2.537 3.898 7.103
123 HD21 LEU 21 3HD2 LEU 21 -2.217 0.294 8.319
124 HD22 LEU 21 1HD2 LEU 21 -0.966 1.280 9.081
125 HD23 LEU 21 2HD2 LEU 21 -0.550 0.207 7.745
126 H THR 22 H THR 22 -4.334 2.758 4.036
127 HA THR 22 HA THR 22 -5.300 0.616 2.266
128 HB THR 22 HB THR 22 -7.103 2.128 2.768
129 HG1 THR 22 HG1 THR 22 -6.523 1.473 0.439
130 HG21 THR 22 3HG2 THR 22 -5.819 4.098 3.445
131 HG22 THR 22 1HG2 THR 22 -7.058 4.508 2.260
132 HG23 THR 22 2HG2 THR 22 -5.370 4.379 1.764
133 H CYS 23 H CYS 23 -4.919 0.936 -0.060
134 HA CYS 23 HA CYS 23 -2.235 2.019 -0.502
135 HB2 CYS 23 2HB CYS 23 -2.949 -0.404 -1.064
136 HB3 CYS 23 3HB CYS 23 -3.755 0.314 -2.453
137 H ILE 24 H ILE 24 -2.302 4.096 -1.068
138 HA ILE 24 HA ILE 24 -3.999 4.867 -3.338
139 HB ILE 24 HB ILE 24 -3.377 6.764 -1.061
140 HG12 ILE 24 2HG1 ILE 24 -6.030 5.398 -1.536
141 HG13 ILE 24 3HG1 ILE 24 -4.850 4.811 -0.388
142 HG21 ILE 24 1HG2 ILE 24 -5.386 6.958 -3.314
143 HG22 ILE 24 2HG2 ILE 24 -3.833 7.790 -3.255
144 HG23 ILE 24 3HG2 ILE 24 -5.085 8.177 -2.075
145 HD11 ILE 24 3HD1 ILE 24 -6.259 7.468 -0.303
146 HD12 ILE 24 1HD1 ILE 24 -5.013 6.949 0.828
147 HD13 ILE 24 2HD1 ILE 24 -6.547 6.086 0.750
148 HA PRO 25 HA PRO 25 -4.078 6.189 -5.072
149 HB2 PRO 25 2HB PRO 25 -3.052 5.788 -7.581
150 HB3 PRO 25 3HB PRO 25 -3.144 7.385 -6.810
151 HG2 PRO 25 2HG PRO 25 -0.817 5.532 -7.027
152 HG3 PRO 25 3HG PRO 25 -0.880 7.290 -7.247
153 HD2 PRO 25 2HD PRO 25 0.022 6.184 -4.967
154 HD3 PRO 25 3HD PRO 25 -0.865 7.716 -4.977
155 H GLY 26 H GLY 26 -1.489 3.889 -6.076
156 HA2 GLY 26 2HA GLY 26 -1.533 1.559 -5.987
157 HA3 GLY 26 3HA GLY 26 -3.202 1.631 -5.448
158 H ASP 27 H ASP 27 -1.958 3.206 -8.348
159 HA ASP 27 HA ASP 27 -3.206 1.165 -10.038
160 HB2 ASP 27 2HB ASP 27 -3.936 4.095 -10.073
161 HB3 ASP 27 3HB ASP 27 -4.289 3.004 -11.409
162 HA PRO 28 HA PRO 28 -1.778 -0.255 -10.377
163 HB2 PRO 28 2HB PRO 28 0.946 -1.066 -10.765
164 HB3 PRO 28 3HB PRO 28 -0.470 -1.523 -11.725
165 HG2 PRO 28 2HG PRO 28 1.612 0.004 -12.656
166 HG3 PRO 28 3HG PRO 28 -0.023 -0.006 -13.340
167 HD2 PRO 28 2HD PRO 28 1.230 1.970 -11.483
168 HD3 PRO 28 3HD PRO 28 0.125 2.242 -12.847
169 H TYR 29 H TYR 29 1.088 1.661 -9.587
170 HA TYR 29 HA TYR 29 1.468 0.326 -7.029
171 HB2 TYR 29 2HB TYR 29 2.964 2.616 -8.320
172 HB3 TYR 29 3HB TYR 29 3.408 1.864 -6.796
173 HD1 TYR 29 HD1 TYR 29 3.165 1.320 -10.442
174 HD2 TYR 29 HD2 TYR 29 4.593 -0.206 -6.736
175 HE1 TYR 29 HE1 TYR 29 4.516 -0.337 -11.654
176 HE2 TYR 29 HE2 TYR 29 5.951 -1.868 -7.938
177 HH TYR 29 HH TYR 29 5.977 -2.990 -10.126
178 H GLY 30 H GLY 30 1.495 1.441 -5.019
179 HA2 GLY 30 2HA GLY 30 0.237 4.060 -4.899
180 HA3 GLY 30 3HA GLY 30 -0.665 2.739 -4.190
181 H ILE 31 H ILE 31 -0.447 4.170 -2.273
182 HA ILE 31 HA ILE 31 1.977 3.457 -0.752
183 HB ILE 31 HB ILE 31 0.608 6.123 -0.404
184 HG12 ILE 31 2HG1 ILE 31 1.487 6.139 -2.694
185 HG13 ILE 31 3HG1 ILE 31 2.391 7.241 -1.671
186 HG21 ILE 31 1HG2 ILE 31 3.316 5.154 0.491
187 HG22 ILE 31 2HG2 ILE 31 1.898 5.419 1.505
188 HG23 ILE 31 3HG2 ILE 31 2.692 6.787 0.726
189 HD11 ILE 31 3HD1 ILE 31 4.197 5.542 -1.524
190 HD12 ILE 31 1HD1 ILE 31 3.893 6.112 -3.166
191 HD13 ILE 31 2HD1 ILE 31 3.290 4.535 -2.654
192 H CYS 32 H CYS 32 1.620 3.308 1.558
193 HA CYS 32 HA CYS 32 -1.073 2.426 2.216
194 HB2 CYS 32 2HB CYS 32 1.507 2.314 3.793
195 HB3 CYS 32 3HB CYS 32 -0.021 1.642 4.341
196 H TYR 33 H TYR 33 -2.393 4.155 2.524
197 HA TYR 33 HA TYR 33 -1.522 6.251 4.402
198 HB2 TYR 33 2HB TYR 33 -3.420 6.177 2.104
199 HB3 TYR 33 3HB TYR 33 -3.737 7.317 3.405
200 HD1 TYR 33 HD1 TYR 33 -1.949 9.021 3.977
201 HD2 TYR 33 HD2 TYR 33 -1.788 6.642 0.448
202 HE1 TYR 33 HE1 TYR 33 -0.364 10.613 2.980
203 HE2 TYR 33 HE2 TYR 33 -0.206 8.228 -0.553
204 HH TYR 33 HH TYR 33 0.442 10.587 -0.315
205 H ILE 34 H ILE 34 -3.031 7.035 5.989
206 HA ILE 34 HA ILE 34 -4.656 4.887 7.106
207 HB ILE 34 HB ILE 34 -2.961 6.041 8.530
208 HG12 ILE 34 2HG1 ILE 34 -5.602 6.615 9.803
209 HG13 ILE 34 3HG1 ILE 34 -5.265 4.968 9.295
210 HG21 ILE 34 1HG2 ILE 34 -3.164 8.317 7.720
211 HG22 ILE 34 2HG2 ILE 34 -3.447 8.264 9.460
212 HG23 ILE 34 3HG2 ILE 34 -4.809 8.421 8.350
213 HD11 ILE 34 3HD1 ILE 34 -3.609 6.596 11.213
214 HD12 ILE 34 1HD1 ILE 34 -3.269 4.943 10.703
215 HD13 ILE 34 2HD1 ILE 34 -4.722 5.295 11.637
216 H ILE 35 H ILE 35 -6.814 4.899 7.247
217 HA ILE 35 HA ILE 35 -8.269 7.341 6.502
218 HB ILE 35 HB ILE 35 -9.992 5.807 5.383
219 HG12 ILE 35 2HG1 ILE 35 -8.424 3.867 4.245
220 HG13 ILE 35 3HG1 ILE 35 -7.826 3.869 5.902
221 HG21 ILE 35 1HG2 ILE 35 -8.807 5.896 3.240
222 HG22 ILE 35 2HG2 ILE 35 -7.302 6.229 4.098
223 HG23 ILE 35 3HG2 ILE 35 -8.631 7.388 4.164
224 HD11 ILE 35 3HD1 ILE 35 -10.093 3.493 6.718
225 HD12 ILE 35 1HD1 ILE 35 -9.586 2.228 5.597
226 HD13 ILE 35 2HD1 ILE 35 -10.690 3.495 5.058
Start of MODEL 18
1 H1 PCA 1 H1 PCA 1 5.075 -13.659 6.588
2 HA PCA 1 HA PCA 1 6.162 -12.943 4.266
3 HB2 PCA 1 3HB PCA 1 4.179 -13.017 2.956
4 HB3 PCA 1 2HB PCA 1 3.954 -11.325 3.547
5 HG2 PCA 1 3HG PCA 1 2.172 -12.811 4.344
6 HG3 PCA 1 2HG PCA 1 2.855 -14.072 3.298
7 H ASP 2 H ASP 2 6.591 -10.596 3.937
8 HA ASP 2 HA ASP 2 6.308 -9.082 6.436
9 HB2 ASP 2 2HB ASP 2 8.466 -9.019 4.321
10 HB3 ASP 2 3HB ASP 2 8.325 -7.794 5.578
11 H CYS 3 H CYS 3 4.451 -8.022 6.104
12 HA CYS 3 HA CYS 3 3.828 -6.648 3.655
13 HB2 CYS 3 2HB CYS 3 2.452 -6.594 6.342
14 HB3 CYS 3 3HB CYS 3 1.811 -5.887 4.869
15 HA PRO 4 HA PRO 4 5.616 -2.662 4.541
16 HB2 PRO 4 2HB PRO 4 3.889 -1.043 3.178
17 HB3 PRO 4 3HB PRO 4 5.088 -2.072 2.370
18 HG2 PRO 4 2HG PRO 4 2.176 -2.551 2.801
19 HG3 PRO 4 3HG PRO 4 3.157 -2.827 1.349
20 HD2 PRO 4 2HD PRO 4 2.486 -4.837 3.011
21 HD3 PRO 4 3HD PRO 4 4.039 -4.799 2.152
22 H GLY 5 H GLY 5 5.202 -0.569 5.542
23 HA2 GLY 5 2HA GLY 5 2.989 -0.688 7.490
24 HA3 GLY 5 3HA GLY 5 4.504 0.170 7.731
25 H GLU 6 H GLU 6 2.981 1.930 8.338
26 HA GLU 6 HA GLU 6 1.414 3.199 6.294
27 HB2 GLU 6 2HB GLU 6 1.009 3.258 8.823
28 HB3 GLU 6 3HB GLU 6 2.293 4.454 8.894
29 HG2 GLU 6 2HG GLU 6 1.010 5.915 7.404
30 HG3 GLU 6 3HG GLU 6 -0.282 4.717 7.346
31 H GLY 7 H GLY 7 2.110 4.491 4.745
32 HA2 GLY 7 2HA GLY 7 3.222 6.450 3.965
33 HA3 GLY 7 3HA GLY 7 4.427 6.237 5.223
34 H GLU 8 H GLU 8 3.948 3.245 3.930
35 HA GLU 8 HA GLU 8 6.321 3.489 2.230
36 HB2 GLU 8 2HB GLU 8 5.895 1.748 4.189
37 HB3 GLU 8 3HB GLU 8 5.087 0.854 2.912
38 HG2 GLU 8 2HG GLU 8 7.138 0.888 1.585
39 HG3 GLU 8 3HG GLU 8 7.949 1.789 2.864
40 H GLN 9 H GLN 9 6.355 2.022 0.257
41 HA GLN 9 HA GLN 9 4.058 2.637 -1.387
42 HB2 GLN 9 2HB GLN 9 6.550 2.799 -2.046
43 HB3 GLN 9 3HB GLN 9 6.465 1.059 -2.268
44 HG2 GLN 9 2HG GLN 9 4.661 1.380 -3.912
45 HG3 GLN 9 3HG GLN 9 4.823 3.126 -3.721
46 HE21 GLN 9 1HE2 GLN 9 6.643 4.164 -4.536
47 HE22 GLN 9 2HE2 GLN 9 7.686 3.416 -5.693
48 H CYS 10 H CYS 10 2.586 1.273 -2.211
49 HA CYS 10 HA CYS 10 2.829 -1.600 -1.613
50 HB2 CYS 10 2HB CYS 10 0.292 -1.558 -1.349
51 HB3 CYS 10 3HB CYS 10 1.224 -0.828 -0.047
52 H ASP 11 H ASP 11 2.707 -2.845 -3.361
53 HA ASP 11 HA ASP 11 1.631 -1.670 -5.826
54 HB2 ASP 11 2HB ASP 11 2.905 -3.500 -7.000
55 HB3 ASP 11 3HB ASP 11 3.899 -2.327 -6.151
56 H VAL 12 H VAL 12 0.421 -3.005 -7.297
57 HA VAL 12 HA VAL 12 -1.557 -4.595 -5.896
58 HB VAL 12 HB VAL 12 -2.710 -4.648 -8.171
59 HG11 VAL 12 1HG1 VAL 12 -3.405 -3.138 -6.420
60 HG12 VAL 12 2HG1 VAL 12 -3.487 -2.323 -7.983
61 HG13 VAL 12 3HG1 VAL 12 -2.153 -1.984 -6.880
62 HG21 VAL 12 3HG2 VAL 12 -2.028 -2.954 -9.816
63 HG22 VAL 12 1HG2 VAL 12 -0.787 -4.189 -9.607
64 HG23 VAL 12 2HG2 VAL 12 -0.588 -2.605 -8.858
65 H GLU 13 H GLU 13 1.289 -5.561 -6.647
66 HA GLU 13 HA GLU 13 0.581 -7.937 -8.207
67 HB2 GLU 13 2HB GLU 13 3.232 -6.684 -7.514
68 HB3 GLU 13 3HB GLU 13 3.114 -8.302 -8.190
69 HG2 GLU 13 2HG GLU 13 1.993 -7.398 -10.164
70 HG3 GLU 13 3HG GLU 13 2.110 -5.775 -9.486
71 H PHE 14 H PHE 14 2.678 -7.302 -5.345
72 HA PHE 14 HA PHE 14 1.424 -9.515 -3.936
73 HB2 PHE 14 2HB PHE 14 3.472 -10.259 -5.457
74 HB3 PHE 14 3HB PHE 14 4.403 -9.671 -4.084
75 HD1 PHE 14 HD1 PHE 14 1.991 -12.175 -5.232
76 HD2 PHE 14 HD2 PHE 14 4.398 -10.832 -1.992
77 HE1 PHE 14 HE1 PHE 14 1.614 -14.316 -4.069
78 HE2 PHE 14 HE2 PHE 14 4.029 -12.966 -0.823
79 HZ PHE 14 HZ PHE 14 2.635 -14.711 -1.859
80 H ASN 15 H ASN 15 2.560 -6.453 -3.802
81 HA ASN 15 HA ASN 15 3.259 -6.697 -0.951
82 HB2 ASN 15 2HB ASN 15 5.093 -5.958 -2.647
83 HB3 ASN 15 3HB ASN 15 4.254 -4.412 -2.627
84 HD21 ASN 15 1HD2 ASN 15 4.248 -3.181 -0.743
85 HD22 ASN 15 2HD2 ASN 15 5.363 -3.471 0.544
86 HA PRO 16 HA PRO 16 -0.349 -3.779 -1.094
87 HB2 PRO 16 2HB PRO 16 -2.158 -5.541 0.130
88 HB3 PRO 16 3HB PRO 16 -2.048 -5.223 -1.608
89 HG2 PRO 16 2HG PRO 16 -1.491 -7.655 -0.308
90 HG3 PRO 16 3HG PRO 16 -1.163 -7.249 -2.002
91 HD2 PRO 16 2HD PRO 16 0.685 -7.245 0.328
92 HD3 PRO 16 3HD PRO 16 1.019 -7.580 -1.385
93 H CYS 17 H CYS 17 -1.683 -2.949 0.815
94 HA CYS 17 HA CYS 17 -0.030 -2.948 3.197
95 HB2 CYS 17 2HB CYS 17 -2.656 -1.492 2.839
96 HB3 CYS 17 3HB CYS 17 -1.368 -1.126 3.978
97 H CYS 18 H CYS 18 -0.223 -4.642 4.523
98 HA CYS 18 HA CYS 18 -2.692 -6.085 4.841
99 HB2 CYS 18 2HB CYS 18 -0.071 -6.441 6.299
100 HB3 CYS 18 3HB CYS 18 -1.439 -7.544 6.355
101 HA PRO 19 HA PRO 19 -2.497 -4.133 9.302
102 HB2 PRO 19 2HB PRO 19 -1.070 -1.590 8.996
103 HB3 PRO 19 3HB PRO 19 -0.760 -2.901 10.142
104 HG2 PRO 19 2HG PRO 19 0.941 -2.318 8.156
105 HG3 PRO 19 3HG PRO 19 0.698 -3.973 8.755
106 HD2 PRO 19 2HD PRO 19 -0.450 -2.669 6.317
107 HD3 PRO 19 3HD PRO 19 0.258 -4.287 6.500
108 HA PRO 20 HA PRO 20 -5.892 -1.293 8.561
109 HB2 PRO 20 2HB PRO 20 -5.754 0.723 10.424
110 HB3 PRO 20 3HB PRO 20 -6.313 -0.922 10.782
111 HG2 PRO 20 2HG PRO 20 -3.635 0.302 11.252
112 HG3 PRO 20 3HG PRO 20 -4.597 -0.752 12.309
113 HD2 PRO 20 2HD PRO 20 -2.543 -1.707 10.883
114 HD3 PRO 20 3HD PRO 20 -4.007 -2.669 11.168
115 H LEU 21 H LEU 21 -4.066 -0.769 6.677
116 HA LEU 21 HA LEU 21 -4.310 2.130 6.264
117 HB2 LEU 21 2HB LEU 21 -1.865 0.472 5.616
118 HB3 LEU 21 3HB LEU 21 -2.123 2.112 5.072
119 HG LEU 21 HG LEU 21 -0.628 2.340 6.833
120 HD11 LEU 21 1HD1 LEU 21 -2.517 3.880 7.104
121 HD12 LEU 21 2HD1 LEU 21 -1.737 3.479 8.634
122 HD13 LEU 21 3HD1 LEU 21 -3.275 2.731 8.207
123 HD21 LEU 21 3HD2 LEU 21 -0.594 0.141 7.694
124 HD22 LEU 21 1HD2 LEU 21 -2.231 0.294 8.332
125 HD23 LEU 21 2HD2 LEU 21 -0.915 1.231 9.042
126 H THR 22 H THR 22 -4.349 2.765 4.033
127 HA THR 22 HA THR 22 -5.331 0.631 2.263
128 HB THR 22 HB THR 22 -7.124 2.152 2.775
129 HG1 THR 22 HG1 THR 22 -7.517 2.979 0.591
130 HG21 THR 22 3HG2 THR 22 -5.827 4.117 3.443
131 HG22 THR 22 1HG2 THR 22 -7.070 4.532 2.263
132 HG23 THR 22 2HG2 THR 22 -5.384 4.394 1.760
133 H CYS 23 H CYS 23 -4.952 0.944 -0.062
134 HA CYS 23 HA CYS 23 -2.263 2.013 -0.511
135 HB2 CYS 23 2HB CYS 23 -3.011 -0.406 -1.076
136 HB3 CYS 23 3HB CYS 23 -3.794 0.329 -2.469
137 H ILE 24 H ILE 24 -2.313 4.090 -1.077
138 HA ILE 24 HA ILE 24 -4.004 4.877 -3.345
139 HB ILE 24 HB ILE 24 -3.379 6.766 -1.065
140 HG12 ILE 24 2HG1 ILE 24 -6.039 5.417 -1.545
141 HG13 ILE 24 3HG1 ILE 24 -4.863 4.818 -0.397
142 HG21 ILE 24 1HG2 ILE 24 -3.825 7.804 -3.252
143 HG22 ILE 24 2HG2 ILE 24 -5.084 8.185 -2.078
144 HG23 ILE 24 3HG2 ILE 24 -5.379 6.973 -3.324
145 HD11 ILE 24 3HD1 ILE 24 -5.015 6.954 0.824
146 HD12 ILE 24 1HD1 ILE 24 -6.555 6.102 0.742
147 HD13 ILE 24 2HD1 ILE 24 -6.255 7.485 -0.307
148 HA PRO 25 HA PRO 25 -4.071 6.192 -5.080
149 HB2 PRO 25 2HB PRO 25 -3.039 5.799 -7.586
150 HB3 PRO 25 3HB PRO 25 -3.127 7.393 -6.810
151 HG2 PRO 25 2HG PRO 25 -0.806 5.530 -7.024
152 HG3 PRO 25 3HG PRO 25 -0.862 7.289 -7.243
153 HD2 PRO 25 2HD PRO 25 0.029 6.176 -4.962
154 HD3 PRO 25 3HD PRO 25 -0.852 7.711 -4.972
155 H GLY 26 H GLY 26 -1.484 3.893 -6.092
156 HA2 GLY 26 2HA GLY 26 -1.531 1.562 -6.009
157 HA3 GLY 26 3HA GLY 26 -3.201 1.635 -5.473
158 H ASP 27 H ASP 27 -1.926 3.206 -8.364
159 HA ASP 27 HA ASP 27 -3.181 1.180 -10.060
160 HB2 ASP 27 2HB ASP 27 -4.277 3.003 -11.441
161 HB3 ASP 27 3HB ASP 27 -4.995 2.701 -9.865
162 HA PRO 28 HA PRO 28 -1.764 -0.256 -10.376
163 HB2 PRO 28 2HB PRO 28 0.957 -1.086 -10.741
164 HB3 PRO 28 3HB PRO 28 -0.455 -1.545 -11.705
165 HG2 PRO 28 2HG PRO 28 1.641 -0.038 -12.638
166 HG3 PRO 28 3HG PRO 28 0.009 -0.046 -13.332
167 HD2 PRO 28 2HD PRO 28 1.263 1.941 -11.488
168 HD3 PRO 28 3HD PRO 28 0.166 2.205 -12.860
169 H TYR 29 H TYR 29 1.117 1.642 -9.586
170 HA TYR 29 HA TYR 29 1.480 0.322 -7.022
171 HB2 TYR 29 2HB TYR 29 2.977 2.611 -8.313
172 HB3 TYR 29 3HB TYR 29 3.415 1.865 -6.783
173 HD1 TYR 29 HD2 TYR 29 3.184 1.301 -10.428
174 HD2 TYR 29 HD1 TYR 29 4.612 -0.194 -6.711
175 HE1 TYR 29 HE2 TYR 29 4.543 -0.357 -11.627
176 HE2 TYR 29 HE1 TYR 29 5.980 -1.857 -7.900
177 HH TYR 29 HH TYR 29 6.557 -1.715 -11.239
178 H GLY 30 H GLY 30 1.491 1.431 -5.014
179 HA2 GLY 30 2HA GLY 30 0.238 4.052 -4.897
180 HA3 GLY 30 3HA GLY 30 -0.671 2.731 -4.196
181 H ILE 31 H ILE 31 -0.453 4.169 -2.278
182 HA ILE 31 HA ILE 31 1.960 3.439 -0.748
183 HB ILE 31 HB ILE 31 0.609 6.115 -0.406
184 HG12 ILE 31 2HG1 ILE 31 1.501 6.124 -2.690
185 HG13 ILE 31 3HG1 ILE 31 2.410 7.217 -1.663
186 HG21 ILE 31 1HG2 ILE 31 3.303 5.124 0.505
187 HG22 ILE 31 2HG2 ILE 31 1.881 5.400 1.510
188 HG23 ILE 31 3HG2 ILE 31 2.690 6.762 0.737
189 HD11 ILE 31 3HD1 ILE 31 3.297 4.488 -2.594
190 HD12 ILE 31 1HD1 ILE 31 4.215 5.545 -1.520
191 HD13 ILE 31 2HD1 ILE 31 3.885 6.044 -3.179
192 H CYS 32 H CYS 32 1.598 3.280 1.552
193 HA CYS 32 HA CYS 32 -1.099 2.414 2.204
194 HB2 CYS 32 2HB CYS 32 1.494 2.272 3.755
195 HB3 CYS 32 3HB CYS 32 -0.036 1.640 4.342
196 H TYR 33 H TYR 33 -2.408 4.153 2.515
197 HA TYR 33 HA TYR 33 -1.525 6.236 4.399
198 HB2 TYR 33 2HB TYR 33 -3.424 6.181 2.102
199 HB3 TYR 33 3HB TYR 33 -3.735 7.319 3.407
200 HD1 TYR 33 HD1 TYR 33 -1.934 9.009 3.985
201 HD2 TYR 33 HD2 TYR 33 -1.791 6.640 0.447
202 HE1 TYR 33 HE1 TYR 33 -0.339 10.593 2.991
203 HE2 TYR 33 HE2 TYR 33 -0.198 8.220 -0.549
204 HH TYR 33 HH TYR 33 0.466 10.572 -0.303
205 H ILE 34 H ILE 34 -3.002 7.011 6.005
206 HA ILE 34 HA ILE 34 -4.645 4.874 7.113
207 HB ILE 34 HB ILE 34 -2.937 6.009 8.535
208 HG12 ILE 34 2HG1 ILE 34 -5.570 6.597 9.820
209 HG13 ILE 34 3HG1 ILE 34 -5.246 4.950 9.305
210 HG21 ILE 34 1HG2 ILE 34 -3.402 8.231 9.478
211 HG22 ILE 34 2HG2 ILE 34 -4.767 8.404 8.375
212 HG23 ILE 34 3HG2 ILE 34 -3.126 8.290 7.737
213 HD11 ILE 34 3HD1 ILE 34 -3.244 4.904 10.704
214 HD12 ILE 34 1HD1 ILE 34 -4.692 5.262 11.646
215 HD13 ILE 34 2HD1 ILE 34 -3.572 6.557 11.224
216 H ILE 35 H ILE 35 -6.803 4.896 7.253
217 HA ILE 35 HA ILE 35 -8.245 7.353 6.531
218 HB ILE 35 HB ILE 35 -9.981 5.835 5.410
219 HG12 ILE 35 2HG1 ILE 35 -8.428 3.893 4.256
220 HG13 ILE 35 3HG1 ILE 35 -7.827 3.881 5.910
221 HG21 ILE 35 1HG2 ILE 35 -7.294 6.250 4.117
222 HG22 ILE 35 2HG2 ILE 35 -8.615 7.415 4.195
223 HG23 ILE 35 3HG2 ILE 35 -8.803 5.930 3.264
224 HD11 ILE 35 3HD1 ILE 35 -9.599 2.254 5.599
225 HD12 ILE 35 1HD1 ILE 35 -10.695 3.530 5.070
226 HD13 ILE 35 2HD1 ILE 35 -10.096 3.514 6.729
Start of MODEL 19
1 H1 PCA 1 H1 PCA 1 7.152 -14.277 4.806
2 HA PCA 1 HA PCA 1 6.977 -12.651 3.086
3 HB2 PCA 1 3HB PCA 1 4.755 -13.122 2.382
4 HB3 PCA 1 2HB PCA 1 4.352 -11.621 3.303
5 HG2 PCA 1 3HG PCA 1 3.290 -13.603 4.286
6 HG3 PCA 1 2HG PCA 1 3.872 -14.522 2.883
7 H ASP 2 H ASP 2 7.151 -10.363 3.147
8 HA ASP 2 HA ASP 2 6.845 -9.145 5.806
9 HB2 ASP 2 2HB ASP 2 9.229 -9.554 4.812
10 HB3 ASP 2 3HB ASP 2 8.857 -8.166 3.797
11 H CYS 3 H CYS 3 4.934 -8.160 5.585
12 HA CYS 3 HA CYS 3 4.223 -6.644 3.237
13 HB2 CYS 3 2HB CYS 3 2.122 -6.186 4.475
14 HB3 CYS 3 3HB CYS 3 2.488 -7.903 4.354
15 HA PRO 4 HA PRO 4 5.703 -2.652 4.549
16 HB2 PRO 4 2HB PRO 4 3.965 -1.031 3.224
17 HB3 PRO 4 3HB PRO 4 5.233 -1.952 2.392
18 HG2 PRO 4 2HG PRO 4 2.339 -2.604 2.713
19 HG3 PRO 4 3HG PRO 4 3.345 -2.688 1.259
20 HD2 PRO 4 2HD PRO 4 2.787 -4.883 2.694
21 HD3 PRO 4 3HD PRO 4 4.363 -4.656 1.910
22 H GLY 5 H GLY 5 5.047 -0.604 5.581
23 HA2 GLY 5 2HA GLY 5 2.747 -0.972 7.400
24 HA3 GLY 5 3HA GLY 5 4.218 -0.105 7.824
25 H GLU 6 H GLU 6 2.842 1.697 8.416
26 HA GLU 6 HA GLU 6 1.280 3.034 6.397
27 HB2 GLU 6 2HB GLU 6 0.755 3.042 8.864
28 HB3 GLU 6 3HB GLU 6 2.135 4.105 9.093
29 HG2 GLU 6 2HG GLU 6 1.075 5.789 7.668
30 HG3 GLU 6 3HG GLU 6 -0.309 4.725 7.436
31 H GLY 7 H GLY 7 2.002 4.375 4.904
32 HA2 GLY 7 2HA GLY 7 3.161 6.255 4.085
33 HA3 GLY 7 3HA GLY 7 4.252 6.159 5.457
34 H GLU 8 H GLU 8 3.458 3.446 3.368
35 HA GLU 8 HA GLU 8 6.130 3.584 2.146
36 HB2 GLU 8 2HB GLU 8 5.712 1.872 4.131
37 HB3 GLU 8 3HB GLU 8 4.965 0.924 2.857
38 HG2 GLU 8 2HG GLU 8 7.140 0.129 2.912
39 HG3 GLU 8 3HG GLU 8 7.163 1.278 1.576
40 H GLN 9 H GLN 9 6.290 2.082 0.207
41 HA GLN 9 HA GLN 9 4.054 2.599 -1.536
42 HB2 GLN 9 2HB GLN 9 6.553 2.775 -2.116
43 HB3 GLN 9 3HB GLN 9 6.519 1.023 -2.255
44 HG2 GLN 9 2HG GLN 9 4.770 1.219 -3.981
45 HG3 GLN 9 3HG GLN 9 4.893 2.976 -3.873
46 HE21 GLN 9 1HE2 GLN 9 6.456 0.048 -4.903
47 HE22 GLN 9 2HE2 GLN 9 7.662 0.797 -5.888
48 H CYS 10 H CYS 10 2.527 1.257 -2.184
49 HA CYS 10 HA CYS 10 2.790 -1.620 -1.614
50 HB2 CYS 10 2HB CYS 10 0.244 -1.558 -1.354
51 HB3 CYS 10 3HB CYS 10 1.188 -0.850 -0.048
52 H ASP 11 H ASP 11 2.661 -2.874 -3.362
53 HA ASP 11 HA ASP 11 1.584 -1.692 -5.824
54 HB2 ASP 11 2HB ASP 11 2.854 -3.517 -7.007
55 HB3 ASP 11 3HB ASP 11 3.851 -2.353 -6.153
56 H VAL 12 H VAL 12 0.364 -3.002 -7.294
57 HA VAL 12 HA VAL 12 -1.616 -4.599 -5.905
58 HB VAL 12 HB VAL 12 -2.774 -4.622 -8.176
59 HG11 VAL 12 1HG1 VAL 12 -3.454 -3.119 -6.414
60 HG12 VAL 12 2HG1 VAL 12 -3.530 -2.291 -7.970
61 HG13 VAL 12 3HG1 VAL 12 -2.193 -1.972 -6.866
62 HG21 VAL 12 3HG2 VAL 12 -0.852 -4.169 -9.614
63 HG22 VAL 12 1HG2 VAL 12 -0.639 -2.591 -8.854
64 HG23 VAL 12 2HG2 VAL 12 -2.083 -2.922 -9.811
65 H GLU 13 H GLU 13 1.229 -5.564 -6.682
66 HA GLU 13 HA GLU 13 0.511 -7.917 -8.270
67 HB2 GLU 13 2HB GLU 13 3.165 -6.690 -7.548
68 HB3 GLU 13 3HB GLU 13 3.041 -8.298 -8.248
69 HG2 GLU 13 2HG GLU 13 1.935 -7.359 -10.213
70 HG3 GLU 13 3HG GLU 13 2.056 -5.747 -9.511
71 H PHE 14 H PHE 14 2.616 -7.351 -5.399
72 HA PHE 14 HA PHE 14 1.333 -9.567 -4.018
73 HB2 PHE 14 2HB PHE 14 3.364 -10.318 -5.563
74 HB3 PHE 14 3HB PHE 14 4.308 -9.768 -4.184
75 HD1 PHE 14 HD1 PHE 14 1.865 -12.219 -5.375
76 HD2 PHE 14 HD2 PHE 14 4.281 -10.964 -2.105
77 HE1 PHE 14 HE1 PHE 14 1.462 -14.376 -4.251
78 HE2 PHE 14 HE2 PHE 14 3.884 -13.115 -0.976
79 HZ PHE 14 HZ PHE 14 2.473 -14.823 -2.048
80 H ASN 15 H ASN 15 2.578 -6.528 -3.856
81 HA ASN 15 HA ASN 15 3.295 -6.835 -1.016
82 HB2 ASN 15 2HB ASN 15 5.091 -6.058 -2.741
83 HB3 ASN 15 3HB ASN 15 4.262 -4.508 -2.646
84 HD21 ASN 15 1HD2 ASN 15 4.312 -3.343 -0.723
85 HD22 ASN 15 2HD2 ASN 15 5.457 -3.683 0.526
86 HA PRO 16 HA PRO 16 -0.298 -3.916 -0.969
87 HB2 PRO 16 2HB PRO 16 -2.031 -5.671 0.359
88 HB3 PRO 16 3HB PRO 16 -1.997 -5.392 -1.389
89 HG2 PRO 16 2HG PRO 16 -1.351 -7.787 -0.047
90 HG3 PRO 16 3HG PRO 16 -1.128 -7.428 -1.769
91 HD2 PRO 16 2HD PRO 16 0.856 -7.349 0.444
92 HD3 PRO 16 3HD PRO 16 1.092 -7.711 -1.280
93 H CYS 17 H CYS 17 -1.533 -3.076 0.995
94 HA CYS 17 HA CYS 17 0.241 -2.986 3.280
95 HB2 CYS 17 2HB CYS 17 -2.477 -1.677 3.061
96 HB3 CYS 17 3HB CYS 17 -1.142 -1.214 4.107
97 H CYS 18 H CYS 18 0.139 -4.354 4.945
98 HA CYS 18 HA CYS 18 -2.147 -6.099 5.264
99 HB2 CYS 18 2HB CYS 18 -0.776 -7.250 6.973
100 HB3 CYS 18 3HB CYS 18 0.016 -7.130 5.408
101 HA PRO 19 HA PRO 19 -2.496 -3.834 9.495
102 HB2 PRO 19 2HB PRO 19 -1.308 -1.210 9.359
103 HB3 PRO 19 3HB PRO 19 -0.813 -2.572 10.371
104 HG2 PRO 19 2HG PRO 19 0.701 -1.544 8.342
105 HG3 PRO 19 3HG PRO 19 0.835 -3.202 8.957
106 HD2 PRO 19 2HD PRO 19 -0.584 -2.205 6.523
107 HD3 PRO 19 3HD PRO 19 0.394 -3.673 6.740
108 HA PRO 20 HA PRO 20 -6.018 -1.260 8.427
109 HB2 PRO 20 2HB PRO 20 -5.513 0.781 10.518
110 HB3 PRO 20 3HB PRO 20 -6.894 -0.315 10.322
111 HG2 PRO 20 2HG PRO 20 -5.137 -0.694 12.264
112 HG3 PRO 20 3HG PRO 20 -5.838 -2.066 11.379
113 HD2 PRO 20 2HD PRO 20 -3.147 -0.791 11.044
114 HD3 PRO 20 3HD PRO 20 -3.576 -2.514 11.101
115 H LEU 21 H LEU 21 -4.272 -0.672 6.612
116 HA LEU 21 HA LEU 21 -4.500 2.227 6.195
117 HB2 LEU 21 2HB LEU 21 -2.052 0.556 5.594
118 HB3 LEU 21 3HB LEU 21 -2.294 2.187 5.019
119 HG LEU 21 HG LEU 21 -0.820 2.429 6.797
120 HD11 LEU 21 1HD1 LEU 21 -3.490 2.887 8.103
121 HD12 LEU 21 2HD1 LEU 21 -2.676 4.005 7.007
122 HD13 LEU 21 3HD1 LEU 21 -1.949 3.610 8.564
123 HD21 LEU 21 3HD2 LEU 21 -2.488 0.510 8.396
124 HD22 LEU 21 1HD2 LEU 21 -1.055 1.358 8.982
125 HD23 LEU 21 2HD2 LEU 21 -0.913 0.193 7.666
126 H THR 22 H THR 22 -4.443 2.854 3.946
127 HA THR 22 HA THR 22 -5.437 0.732 2.166
128 HB THR 22 HB THR 22 -7.217 2.281 2.637
129 HG1 THR 22 HG1 THR 22 -7.632 1.941 0.596
130 HG21 THR 22 3HG2 THR 22 -7.112 4.662 2.133
131 HG22 THR 22 1HG2 THR 22 -5.419 4.496 1.664
132 HG23 THR 22 2HG2 THR 22 -5.902 4.224 3.337
133 H CYS 23 H CYS 23 -5.001 1.038 -0.151
134 HA CYS 23 HA CYS 23 -2.290 2.072 -0.539
135 HB2 CYS 23 2HB CYS 23 -3.047 -0.338 -1.117
136 HB3 CYS 23 3HB CYS 23 -3.799 0.400 -2.525
137 H ILE 24 H ILE 24 -2.317 4.154 -1.097
138 HA ILE 24 HA ILE 24 -3.956 4.958 -3.398
139 HB ILE 24 HB ILE 24 -3.331 6.838 -1.110
140 HG12 ILE 24 2HG1 ILE 24 -6.003 5.530 -1.631
141 HG13 ILE 24 3HG1 ILE 24 -4.855 4.917 -0.463
142 HG21 ILE 24 1HG2 ILE 24 -5.293 7.082 -3.397
143 HG22 ILE 24 2HG2 ILE 24 -3.725 7.886 -3.302
144 HG23 ILE 24 3HG2 ILE 24 -4.994 8.289 -2.145
145 HD11 ILE 24 3HD1 ILE 24 -6.196 7.610 -0.401
146 HD12 ILE 24 1HD1 ILE 24 -4.997 7.048 0.758
147 HD13 ILE 24 2HD1 ILE 24 -6.555 6.233 0.637
148 HA PRO 25 HA PRO 25 -3.981 6.274 -5.136
149 HB2 PRO 25 2HB PRO 25 -2.923 5.845 -7.626
150 HB3 PRO 25 3HB PRO 25 -2.998 7.445 -6.861
151 HG2 PRO 25 2HG PRO 25 -0.703 5.546 -7.035
152 HG3 PRO 25 3HG PRO 25 -0.728 7.305 -7.262
153 HD2 PRO 25 2HD PRO 25 0.116 6.189 -4.965
154 HD3 PRO 25 3HD PRO 25 -0.742 7.737 -4.993
155 H GLY 26 H GLY 26 -1.422 3.920 -6.087
156 HA2 GLY 26 2HA GLY 26 -1.511 1.592 -6.000
157 HA3 GLY 26 3HA GLY 26 -3.183 1.697 -5.477
158 H ASP 27 H ASP 27 -1.881 3.241 -8.369
159 HA ASP 27 HA ASP 27 -3.160 1.220 -10.063
160 HB2 ASP 27 2HB ASP 27 -3.813 4.167 -10.125
161 HB3 ASP 27 3HB ASP 27 -4.185 3.075 -11.454
162 HA PRO 28 HA PRO 28 -1.755 -0.232 -10.358
163 HB2 PRO 28 2HB PRO 28 0.950 -1.114 -10.714
164 HB3 PRO 28 3HB PRO 28 -0.468 -1.545 -11.684
165 HG2 PRO 28 2HG PRO 28 1.663 -0.078 -12.605
166 HG3 PRO 28 3HG PRO 28 0.038 -0.061 -13.311
167 HD2 PRO 28 2HD PRO 28 1.311 1.912 -11.467
168 HD3 PRO 28 3HD PRO 28 0.223 2.189 -12.844
169 H TYR 29 H TYR 29 1.151 1.625 -9.569
170 HA TYR 29 HA TYR 29 1.491 0.308 -7.000
171 HB2 TYR 29 2HB TYR 29 3.019 2.575 -8.293
172 HB3 TYR 29 3HB TYR 29 3.444 1.831 -6.759
173 HD1 TYR 29 HD1 TYR 29 3.218 1.253 -10.402
174 HD2 TYR 29 HD2 TYR 29 4.618 -0.242 -6.675
175 HE1 TYR 29 HE1 TYR 29 4.562 -0.426 -11.590
176 HE2 TYR 29 HE2 TYR 29 5.970 -1.925 -7.852
177 HH TYR 29 HH TYR 29 5.998 -3.072 -10.027
178 H GLY 30 H GLY 30 1.502 1.423 -4.992
179 HA2 GLY 30 2HA GLY 30 0.286 4.063 -4.893
180 HA3 GLY 30 3HA GLY 30 -0.648 2.757 -4.195
181 H ILE 31 H ILE 31 -0.434 4.191 -2.281
182 HA ILE 31 HA ILE 31 1.955 3.443 -0.721
183 HB ILE 31 HB ILE 31 0.619 6.127 -0.389
184 HG12 ILE 31 2HG1 ILE 31 1.521 6.136 -2.670
185 HG13 ILE 31 3HG1 ILE 31 2.431 7.223 -1.636
186 HG21 ILE 31 1HG2 ILE 31 2.698 6.761 0.765
187 HG22 ILE 31 2HG2 ILE 31 3.306 5.123 0.531
188 HG23 ILE 31 3HG2 ILE 31 1.880 5.398 1.531
189 HD11 ILE 31 3HD1 ILE 31 4.206 5.488 -1.471
190 HD12 ILE 31 1HD1 ILE 31 3.937 6.080 -3.111
191 HD13 ILE 31 2HD1 ILE 31 3.299 4.509 -2.625
192 H CYS 32 H CYS 32 1.557 3.288 1.582
193 HA CYS 32 HA CYS 32 -1.164 2.454 2.185
194 HB2 CYS 32 2HB CYS 32 1.356 2.304 3.855
195 HB3 CYS 32 3HB CYS 32 -0.193 1.605 4.301
196 H TYR 33 H TYR 33 -2.462 4.200 2.489
197 HA TYR 33 HA TYR 33 -1.582 6.259 4.404
198 HB2 TYR 33 2HB TYR 33 -3.427 6.260 2.062
199 HB3 TYR 33 3HB TYR 33 -3.735 7.400 3.364
200 HD1 TYR 33 HD1 TYR 33 -1.857 9.004 4.016
201 HD2 TYR 33 HD2 TYR 33 -1.788 6.718 0.423
202 HE1 TYR 33 HE1 TYR 33 -0.202 10.553 3.064
203 HE2 TYR 33 HE2 TYR 33 -0.138 8.262 -0.533
204 HH TYR 33 HH TYR 33 1.536 10.552 1.328
205 H ILE 34 H ILE 34 -3.035 7.014 6.012
206 HA ILE 34 HA ILE 34 -4.828 4.928 6.990
207 HB ILE 34 HB ILE 34 -3.051 5.838 8.492
208 HG12 ILE 34 2HG1 ILE 34 -5.644 6.544 9.797
209 HG13 ILE 34 3HG1 ILE 34 -5.444 4.914 9.178
210 HG21 ILE 34 1HG2 ILE 34 -3.059 8.172 7.837
211 HG22 ILE 34 2HG2 ILE 34 -3.357 8.026 9.569
212 HG23 ILE 34 3HG2 ILE 34 -4.693 8.370 8.471
213 HD11 ILE 34 3HD1 ILE 34 -3.466 4.622 10.582
214 HD12 ILE 34 1HD1 ILE 34 -4.891 5.031 11.537
215 HD13 ILE 34 2HD1 ILE 34 -3.669 6.258 11.205
216 H ILE 35 H ILE 35 -6.981 5.127 7.156
217 HA ILE 35 HA ILE 35 -8.195 7.692 6.367
218 HB ILE 35 HB ILE 35 -10.163 6.276 5.540
219 HG12 ILE 35 2HG1 ILE 35 -8.284 4.071 4.907
220 HG13 ILE 35 3HG1 ILE 35 -8.821 4.143 6.580
221 HG21 ILE 35 1HG2 ILE 35 -9.125 5.972 3.337
222 HG22 ILE 35 2HG2 ILE 35 -7.535 6.199 4.065
223 HG23 ILE 35 3HG2 ILE 35 -8.701 7.521 4.065
224 HD11 ILE 35 3HD1 ILE 35 -10.603 3.984 4.159
225 HD12 ILE 35 1HD1 ILE 35 -11.145 4.053 5.836
226 HD13 ILE 35 2HD1 ILE 35 -10.223 2.662 5.263
Start of MODEL 20
1 H1 PCA 1 H1 PCA 1 6.735 -13.868 5.568
2 HA PCA 1 HA PCA 1 6.955 -12.702 3.187
3 HB2 PCA 1 3HB PCA 1 4.741 -13.127 2.427
4 HB3 PCA 1 2HB PCA 1 4.356 -11.595 3.302
5 HG2 PCA 1 3HG PCA 1 3.208 -13.523 4.297
6 HG3 PCA 1 2HG PCA 1 3.803 -14.488 2.931
7 H ASP 2 H ASP 2 7.140 -10.401 3.190
8 HA ASP 2 HA ASP 2 6.848 -9.137 5.829
9 HB2 ASP 2 2HB ASP 2 8.984 -8.749 3.725
10 HB3 ASP 2 3HB ASP 2 8.754 -7.636 5.070
11 H CYS 3 H CYS 3 4.937 -8.157 5.608
12 HA CYS 3 HA CYS 3 4.230 -6.646 3.253
13 HB2 CYS 3 2HB CYS 3 2.125 -6.186 4.488
14 HB3 CYS 3 3HB CYS 3 2.490 -7.904 4.364
15 HA PRO 4 HA PRO 4 5.708 -2.654 4.566
16 HB2 PRO 4 2HB PRO 4 3.970 -1.033 3.241
17 HB3 PRO 4 3HB PRO 4 5.240 -1.952 2.409
18 HG2 PRO 4 2HG PRO 4 2.345 -2.606 2.727
19 HG3 PRO 4 3HG PRO 4 3.353 -2.690 1.273
20 HD2 PRO 4 2HD PRO 4 2.795 -4.884 2.707
21 HD3 PRO 4 3HD PRO 4 4.372 -4.658 1.926
22 H GLY 5 H GLY 5 5.049 -0.603 5.591
23 HA2 GLY 5 2HA GLY 5 2.749 -0.968 7.411
24 HA3 GLY 5 3HA GLY 5 4.220 -0.102 7.835
25 H GLU 6 H GLU 6 2.844 1.703 8.424
26 HA GLU 6 HA GLU 6 1.289 3.039 6.400
27 HB2 GLU 6 2HB GLU 6 0.762 3.050 8.868
28 HB3 GLU 6 3HB GLU 6 2.139 4.116 9.095
29 HG2 GLU 6 2HG GLU 6 1.075 5.793 7.664
30 HG3 GLU 6 3HG GLU 6 -0.307 4.725 7.436
31 H GLY 7 H GLY 7 2.014 4.378 4.907
32 HA2 GLY 7 2HA GLY 7 3.178 6.262 4.096
33 HA3 GLY 7 3HA GLY 7 4.273 6.155 5.465
34 H GLU 8 H GLU 8 3.478 3.421 3.421
35 HA GLU 8 HA GLU 8 6.138 3.556 2.169
36 HB2 GLU 8 2HB GLU 8 5.586 1.817 4.162
37 HB3 GLU 8 3HB GLU 8 5.016 0.878 2.794
38 HG2 GLU 8 2HG GLU 8 7.733 2.094 2.665
39 HG3 GLU 8 3HG GLU 8 7.481 0.659 3.655
40 H GLN 9 H GLN 9 6.283 2.115 0.207
41 HA GLN 9 HA GLN 9 4.014 2.615 -1.498
42 HB2 GLN 9 2HB GLN 9 6.503 2.828 -2.112
43 HB3 GLN 9 3HB GLN 9 6.485 1.078 -2.273
44 HG2 GLN 9 2HG GLN 9 4.744 1.255 -3.984
45 HG3 GLN 9 3HG GLN 9 4.773 3.011 -3.827
46 HE21 GLN 9 1HE2 GLN 9 6.530 4.163 -4.618
47 HE22 GLN 9 2HE2 GLN 9 7.661 3.473 -5.728
48 H CYS 10 H CYS 10 2.528 1.253 -2.203
49 HA CYS 10 HA CYS 10 2.809 -1.622 -1.629
50 HB2 CYS 10 2HB CYS 10 0.256 -1.575 -1.383
51 HB3 CYS 10 3HB CYS 10 1.196 -0.885 -0.064
52 H ASP 11 H ASP 11 2.665 -2.884 -3.372
53 HA ASP 11 HA ASP 11 1.599 -1.698 -5.838
54 HB2 ASP 11 2HB ASP 11 2.863 -3.532 -7.017
55 HB3 ASP 11 3HB ASP 11 3.863 -2.368 -6.164
56 H VAL 12 H VAL 12 0.376 -3.005 -7.308
57 HA VAL 12 HA VAL 12 -1.611 -4.595 -5.920
58 HB VAL 12 HB VAL 12 -2.768 -4.613 -8.191
59 HG11 VAL 12 1HG1 VAL 12 -3.446 -3.111 -6.428
60 HG12 VAL 12 2HG1 VAL 12 -3.519 -2.280 -7.981
61 HG13 VAL 12 3HG1 VAL 12 -2.181 -1.967 -6.877
62 HG21 VAL 12 3HG2 VAL 12 -0.845 -4.163 -9.628
63 HG22 VAL 12 1HG2 VAL 12 -0.628 -2.586 -8.867
64 HG23 VAL 12 2HG2 VAL 12 -2.074 -2.913 -9.823
65 H GLU 13 H GLU 13 1.224 -5.579 -6.673
66 HA GLU 13 HA GLU 13 0.499 -7.928 -8.266
67 HB2 GLU 13 2HB GLU 13 3.158 -6.706 -7.554
68 HB3 GLU 13 3HB GLU 13 3.029 -8.315 -8.250
69 HG2 GLU 13 2HG GLU 13 1.920 -7.379 -10.214
70 HG3 GLU 13 3HG GLU 13 2.048 -5.765 -9.516
71 H PHE 14 H PHE 14 2.612 -7.360 -5.400
72 HA PHE 14 HA PHE 14 1.328 -9.571 -4.014
73 HB2 PHE 14 2HB PHE 14 3.355 -10.326 -5.560
74 HB3 PHE 14 3HB PHE 14 4.302 -9.775 -4.182
75 HD1 PHE 14 HD1 PHE 14 1.852 -12.226 -5.361
76 HD2 PHE 14 HD2 PHE 14 4.281 -10.968 -2.102
77 HE1 PHE 14 HE1 PHE 14 1.449 -14.380 -4.232
78 HE2 PHE 14 HE2 PHE 14 3.885 -13.114 -0.967
79 HZ PHE 14 HZ PHE 14 2.467 -14.824 -2.031
80 H ASN 15 H ASN 15 2.576 -6.533 -3.857
81 HA ASN 15 HA ASN 15 3.294 -6.837 -1.017
82 HB2 ASN 15 2HB ASN 15 5.094 -6.067 -2.742
83 HB3 ASN 15 3HB ASN 15 4.265 -4.516 -2.654
84 HD21 ASN 15 1HD2 ASN 15 4.316 -3.343 -0.735
85 HD22 ASN 15 2HD2 ASN 15 5.459 -3.679 0.515
86 HA PRO 16 HA PRO 16 -0.292 -3.912 -0.969
87 HB2 PRO 16 2HB PRO 16 -2.029 -5.663 0.359
88 HB3 PRO 16 3HB PRO 16 -1.993 -5.386 -1.389
89 HG2 PRO 16 2HG PRO 16 -1.352 -7.781 -0.044
90 HG3 PRO 16 3HG PRO 16 -1.129 -7.424 -1.766
91 HD2 PRO 16 2HD PRO 16 0.857 -7.345 0.445
92 HD3 PRO 16 3HD PRO 16 1.090 -7.711 -1.279
93 H CYS 17 H CYS 17 -1.533 -3.079 1.000
94 HA CYS 17 HA CYS 17 0.244 -2.990 3.283
95 HB2 CYS 17 2HB CYS 17 -2.473 -1.679 3.067
96 HB3 CYS 17 3HB CYS 17 -1.136 -1.217 4.112
97 H CYS 18 H CYS 18 0.140 -4.357 4.950
98 HA CYS 18 HA CYS 18 -2.146 -6.102 5.267
99 HB2 CYS 18 2HB CYS 18 -0.777 -7.256 6.973
100 HB3 CYS 18 3HB CYS 18 0.018 -7.131 5.410
101 HA PRO 19 HA PRO 19 -2.498 -3.838 9.498
102 HB2 PRO 19 2HB PRO 19 -1.307 -1.216 9.366
103 HB3 PRO 19 3HB PRO 19 -0.813 -2.579 10.376
104 HG2 PRO 19 2HG PRO 19 0.701 -1.548 8.348
105 HG3 PRO 19 3HG PRO 19 0.835 -3.208 8.963
106 HD2 PRO 19 2HD PRO 19 -0.584 -2.207 6.528
107 HD3 PRO 19 3HD PRO 19 0.394 -3.677 6.744
108 HA PRO 20 HA PRO 20 -6.016 -1.259 8.429
109 HB2 PRO 20 2HB PRO 20 -5.509 0.781 10.521
110 HB3 PRO 20 3HB PRO 20 -6.891 -0.312 10.323
111 HG2 PRO 20 2HG PRO 20 -5.137 -0.696 12.266
112 HG3 PRO 20 3HG PRO 20 -5.840 -2.066 11.380
113 HD2 PRO 20 2HD PRO 20 -3.146 -0.797 11.049
114 HD3 PRO 20 3HD PRO 20 -3.580 -2.519 11.103
115 H LEU 21 H LEU 21 -4.270 -0.673 6.614
116 HA LEU 21 HA LEU 21 -4.492 2.227 6.198
117 HB2 LEU 21 2HB LEU 21 -2.047 0.551 5.597
118 HB3 LEU 21 3HB LEU 21 -2.286 2.182 5.023
119 HG LEU 21 HG LEU 21 -0.812 2.422 6.802
120 HD11 LEU 21 1HD1 LEU 21 -2.664 4.001 7.011
121 HD12 LEU 21 2HD1 LEU 21 -1.941 3.603 8.569
122 HD13 LEU 21 3HD1 LEU 21 -3.481 2.885 8.107
123 HD21 LEU 21 3HD2 LEU 21 -1.047 1.350 8.984
124 HD22 LEU 21 1HD2 LEU 21 -0.912 0.183 7.668
125 HD23 LEU 21 2HD2 LEU 21 -2.484 0.508 8.402
126 H THR 22 H THR 22 -4.434 2.853 3.950
127 HA THR 22 HA THR 22 -5.432 0.735 2.169
128 HB THR 22 HB THR 22 -7.208 2.286 2.640
129 HG1 THR 22 HG1 THR 22 -7.722 2.124 0.612
130 HG21 THR 22 3HG2 THR 22 -7.102 4.666 2.138
131 HG22 THR 22 1HG2 THR 22 -5.410 4.499 1.670
132 HG23 THR 22 2HG2 THR 22 -5.891 4.226 3.342
133 H CYS 23 H CYS 23 -4.995 1.040 -0.147
134 HA CYS 23 HA CYS 23 -2.282 2.072 -0.536
135 HB2 CYS 23 2HB CYS 23 -3.041 -0.338 -1.113
136 HB3 CYS 23 3HB CYS 23 -3.792 0.400 -2.522
137 H ILE 24 H ILE 24 -2.309 4.154 -1.096
138 HA ILE 24 HA ILE 24 -3.950 4.959 -3.393
139 HB ILE 24 HB ILE 24 -3.317 6.838 -1.106
140 HG12 ILE 24 2HG1 ILE 24 -5.993 5.533 -1.625
141 HG13 ILE 24 3HG1 ILE 24 -4.845 4.921 -0.457
142 HG21 ILE 24 1HG2 ILE 24 -5.286 7.087 -3.388
143 HG22 ILE 24 2HG2 ILE 24 -3.714 7.882 -3.301
144 HG23 ILE 24 3HG2 ILE 24 -4.975 8.295 -2.140
145 HD11 ILE 24 3HD1 ILE 24 -6.184 7.615 -0.397
146 HD12 ILE 24 1HD1 ILE 24 -4.984 7.052 0.763
147 HD13 ILE 24 2HD1 ILE 24 -6.542 6.238 0.643
148 HA PRO 25 HA PRO 25 -3.977 6.283 -5.130
149 HB2 PRO 25 2HB PRO 25 -2.928 5.855 -7.623
150 HB3 PRO 25 3HB PRO 25 -2.995 7.454 -6.856
151 HG2 PRO 25 2HG PRO 25 -0.706 5.549 -7.038
152 HG3 PRO 25 3HG PRO 25 -0.728 7.308 -7.263
153 HD2 PRO 25 2HD PRO 25 0.119 6.188 -4.969
154 HD3 PRO 25 3HD PRO 25 -0.736 7.738 -4.992
155 H GLY 26 H GLY 26 -1.428 3.923 -6.089
156 HA2 GLY 26 2HA GLY 26 -1.524 1.595 -6.004
157 HA3 GLY 26 3HA GLY 26 -3.196 1.704 -5.479
158 H ASP 27 H ASP 27 -1.893 3.249 -8.371
159 HA ASP 27 HA ASP 27 -3.173 1.232 -10.068
160 HB2 ASP 27 2HB ASP 27 -3.832 4.178 -10.119
161 HB3 ASP 27 3HB ASP 27 -4.202 3.089 -11.453
162 HA PRO 28 HA PRO 28 -1.770 -0.220 -10.376
163 HB2 PRO 28 2HB PRO 28 0.937 -1.096 -10.739
164 HB3 PRO 28 3HB PRO 28 -0.481 -1.527 -11.706
165 HG2 PRO 28 2HG PRO 28 1.642 -0.052 -12.631
166 HG3 PRO 28 3HG PRO 28 0.013 -0.032 -13.330
167 HD2 PRO 28 2HD PRO 28 1.294 1.931 -11.478
168 HD3 PRO 28 3HD PRO 28 0.204 2.215 -12.851
169 H TYR 29 H TYR 29 1.135 1.637 -9.578
170 HA TYR 29 HA TYR 29 1.474 0.308 -7.015
171 HB2 TYR 29 2HB TYR 29 3.009 2.575 -8.300
172 HB3 TYR 29 3HB TYR 29 3.431 1.824 -6.768
173 HD1 TYR 29 HD1 TYR 29 3.196 1.256 -10.414
174 HD2 TYR 29 HD2 TYR 29 4.607 -0.247 -6.693
175 HE1 TYR 29 HE1 TYR 29 4.536 -0.421 -11.609
176 HE2 TYR 29 HE2 TYR 29 5.954 -1.930 -7.878
177 HH TYR 29 HH TYR 29 6.533 -1.802 -11.219
178 H GLY 30 H GLY 30 1.491 1.419 -5.003
179 HA2 GLY 30 2HA GLY 30 0.280 4.060 -4.897
180 HA3 GLY 30 3HA GLY 30 -0.655 2.757 -4.199
181 H ILE 31 H ILE 31 -0.434 4.183 -2.281
182 HA ILE 31 HA ILE 31 1.957 3.426 -0.729
183 HB ILE 31 HB ILE 31 0.633 6.116 -0.387
184 HG12 ILE 31 2HG1 ILE 31 1.525 6.125 -2.673
185 HG13 ILE 31 3HG1 ILE 31 2.440 7.208 -1.640
186 HG21 ILE 31 1HG2 ILE 31 3.319 5.096 0.518
187 HG22 ILE 31 2HG2 ILE 31 1.900 5.380 1.525
188 HG23 ILE 31 3HG2 ILE 31 2.721 6.738 0.758
189 HD11 ILE 31 3HD1 ILE 31 3.946 6.075 -3.114
190 HD12 ILE 31 1HD1 ILE 31 3.298 4.501 -2.650
191 HD13 ILE 31 2HD1 ILE 31 4.209 5.459 -1.483
192 H CYS 32 H CYS 32 1.565 3.278 1.577
193 HA CYS 32 HA CYS 32 -1.155 2.451 2.190
194 HB2 CYS 32 2HB CYS 32 1.369 2.301 3.853
195 HB3 CYS 32 3HB CYS 32 -0.179 1.606 4.306
196 H TYR 33 H TYR 33 -2.451 4.198 2.494
197 HA TYR 33 HA TYR 33 -1.567 6.258 4.405
198 HB2 TYR 33 2HB TYR 33 -3.412 6.259 2.062
199 HB3 TYR 33 3HB TYR 33 -3.718 7.402 3.364
200 HD1 TYR 33 HD2 TYR 33 -1.841 9.005 4.011
201 HD2 TYR 33 HD1 TYR 33 -1.771 6.711 0.423
202 HE1 TYR 33 HE2 TYR 33 -0.183 10.550 3.058
203 HE2 TYR 33 HE1 TYR 33 -0.121 8.254 -0.536
204 HH TYR 33 HH TYR 33 0.629 10.574 -0.234
205 H ILE 34 H ILE 34 -3.082 7.063 5.967
206 HA ILE 34 HA ILE 34 -4.800 4.955 7.016
207 HB ILE 34 HB ILE 34 -3.106 6.040 8.496
208 HG12 ILE 34 2HG1 ILE 34 -5.759 6.680 9.710
209 HG13 ILE 34 3HG1 ILE 34 -5.460 5.030 9.192
210 HG21 ILE 34 1HG2 ILE 34 -3.546 8.266 9.441
211 HG22 ILE 34 2HG2 ILE 34 -4.874 8.478 8.301
212 HG23 ILE 34 3HG2 ILE 34 -3.220 8.330 7.708
213 HD11 ILE 34 3HD1 ILE 34 -3.803 6.584 11.169
214 HD12 ILE 34 1HD1 ILE 34 -3.500 4.927 10.646
215 HD13 ILE 34 2HD1 ILE 34 -4.964 5.313 11.550
216 H ILE 35 H ILE 35 -6.960 5.029 7.097
217 HA ILE 35 HA ILE 35 -8.320 7.522 6.343
218 HB ILE 35 HB ILE 35 -10.066 6.049 5.180
219 HG12 ILE 35 2HG1 ILE 35 -8.540 4.064 4.068
220 HG13 ILE 35 3HG1 ILE 35 -7.975 4.040 5.735
221 HG21 ILE 35 1HG2 ILE 35 -8.833 6.110 3.064
222 HG22 ILE 35 2HG2 ILE 35 -7.337 6.388 3.955
223 HG23 ILE 35 3HG2 ILE 35 -8.627 7.590 3.999
224 HD11 ILE 35 3HD1 ILE 35 -9.782 2.460 5.388
225 HD12 ILE 35 1HD1 ILE 35 -10.833 3.764 4.835
226 HD13 ILE 35 2HD1 ILE 35 -10.268 3.734 6.505
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