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 |
|
|
530042 |
2lbz   |
17583 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HN ASP 1 1.806 -0.000 0.856
2 HA ASP 1 HA ASP 1 1.405 -0.177 -2.055
3 HB2 ASP 1 HB1 ASP 1 2.060 2.141 -1.242
4 HB3 ASP 1 HB2 ASP 1 3.605 1.440 -0.769
5 H TRP 2 HN TRP 2 1.713 -2.494 -1.014
6 HA TRP 2 HA TRP 2 4.264 -3.366 -0.256
7 HB2 TRP 2 HB1 TRP 2 3.464 -5.588 -0.615
8 HB3 TRP 2 HB2 TRP 2 2.098 -4.642 -0.030
9 HD1 TRP 2 HD1 TRP 2 0.206 -3.974 -1.885
10 HE1 TRP 2 HE1 TRP 2 -0.506 -5.184 -4.042
11 HE3 TRP 2 HE3 TRP 2 4.285 -6.992 -2.507
12 HZ2 TRP 2 HZ2 TRP 2 0.525 -7.158 -5.777
13 HZ3 TRP 2 HZ3 TRP 2 4.344 -8.513 -4.440
14 HH2 TRP 2 HH2 TRP 2 2.501 -8.593 -6.040
15 H THR 3 HN THR 3 5.887 -4.477 -1.416
16 HA THR 3 HA THR 3 5.857 -4.790 -4.232
17 HB THR 3 HB THR 3 7.968 -3.004 -4.190
18 HG1 THR 3 HG1 THR 3 5.796 -1.585 -3.083
19 HG21 THR 3 HG21 THR 3 5.919 -1.525 -5.241
20 HG22 THR 3 HG22 THR 3 5.284 -3.167 -5.353
21 HG23 THR 3 HG23 THR 3 6.825 -2.763 -6.110
22 H CYS 4 HN CYS 4 8.274 -5.046 -5.028
23 HA CYS 4 HA CYS 4 9.380 -7.169 -3.533
24 HB2 CYS 4 HB1 CYS 4 10.523 -5.547 -5.814
25 HB3 CYS 4 HB2 CYS 4 11.279 -6.996 -5.161
26 H TRP 5 HN TRP 5 9.879 -3.754 -3.465
27 HA TRP 5 HA TRP 5 12.460 -3.777 -2.258
28 HB2 TRP 5 HB1 TRP 5 10.328 -1.720 -2.681
29 HB3 TRP 5 HB2 TRP 5 11.636 -1.376 -1.552
30 HD1 TRP 5 HD1 TRP 5 14.145 -1.250 -2.600
31 HE1 TRP 5 HE1 TRP 5 14.936 -0.649 -4.975
32 HE3 TRP 5 HE3 TRP 5 9.735 -1.878 -5.109
33 HZ2 TRP 5 HZ2 TRP 5 13.836 -0.464 -7.568
34 HZ3 TRP 5 HZ3 TRP 5 9.689 -1.468 -7.535
35 HH2 TRP 5 HH2 TRP 5 11.698 -0.776 -8.737
36 H SER 6 HN SER 6 9.154 -3.615 -1.019
37 HA SER 6 HA SER 6 9.816 -3.163 1.683
38 HB2 SER 6 HB1 SER 6 7.382 -4.487 0.463
39 HB3 SER 6 HB2 SER 6 7.515 -4.000 2.153
40 HG SER 6 HG SER 6 8.007 -1.836 1.219
41 H CYS 7 HN CYS 7 9.969 -5.972 -0.293
42 HA CYS 7 HA CYS 7 9.766 -7.947 1.731
43 HB2 CYS 7 HB1 CYS 7 10.998 -7.966 -1.024
44 HB3 CYS 7 HB2 CYS 7 10.971 -9.388 0.014
45 H LEU 8 HN LEU 8 12.154 -5.667 1.046
46 HA LEU 8 HA LEU 8 14.500 -7.088 1.693
47 HB2 LEU 8 HB1 LEU 8 14.865 -5.053 0.649
48 HB3 LEU 8 HB2 LEU 8 13.723 -4.203 1.687
49 HG LEU 8 HG LEU 8 16.100 -5.273 3.054
50 HD11 LEU 8 HD11 LEU 8 16.378 -2.920 1.194
51 HD12 LEU 8 HD12 LEU 8 17.024 -4.528 0.870
52 HD13 LEU 8 HD13 LEU 8 17.615 -3.603 2.250
53 HD21 LEU 8 HD21 LEU 8 15.865 -3.381 4.367
54 HD22 LEU 8 HD22 LEU 8 14.199 -3.734 3.908
55 HD23 LEU 8 HD23 LEU 8 15.090 -2.457 3.079
56 H VAL 9 HN VAL 9 12.049 -5.542 3.652
57 HA VAL 9 HA VAL 9 13.467 -5.473 6.091
58 HB VAL 9 HB VAL 9 11.342 -4.236 5.635
59 HG11 VAL 9 HG11 VAL 9 10.368 -6.701 4.910
60 HG12 VAL 9 HG12 VAL 9 9.629 -6.433 6.491
61 HG13 VAL 9 HG13 VAL 9 9.402 -5.254 5.198
62 HG21 VAL 9 HG21 VAL 9 10.654 -4.234 7.870
63 HG22 VAL 9 HG22 VAL 9 11.028 -5.945 8.083
64 HG23 VAL 9 HG23 VAL 9 12.333 -4.768 7.940
65 H CYS 10 HN CYS 10 12.042 -8.047 4.331
66 HA CYS 10 HA CYS 10 11.475 -9.815 6.468
67 HB2 CYS 10 HB1 CYS 10 12.123 -10.379 3.567
68 HB3 CYS 10 HB2 CYS 10 11.521 -11.578 4.707
69 H ALA 11 HN ALA 11 14.386 -9.008 4.731
70 HA ALA 11 HA ALA 11 15.938 -11.253 5.461
71 HB1 ALA 11 HB1 ALA 11 16.740 -8.451 4.700
72 HB2 ALA 11 HB2 ALA 11 17.880 -9.778 4.926
73 HB3 ALA 11 HB3 ALA 11 16.663 -9.868 3.653
74 H ALA 12 HN ALA 12 14.879 -8.505 7.222
75 HA ALA 12 HA ALA 12 16.964 -8.431 9.162
76 HB1 ALA 12 HB1 ALA 12 14.488 -7.452 10.218
77 HB2 ALA 12 HB2 ALA 12 15.936 -6.556 9.755
78 HB3 ALA 12 HB3 ALA 12 14.689 -6.898 8.555
79 H CYS 13 HN CYS 13 14.461 -10.612 8.588
80 HA CYS 13 HA CYS 13 13.907 -11.359 11.297
81 HB2 CYS 13 HB1 CYS 13 13.288 -12.568 8.615
82 HB3 CYS 13 HB2 CYS 13 12.944 -13.445 10.102
83 H SER 14 HN SER 14 15.761 -11.896 12.375
84 HA SER 14 HA SER 14 17.280 -14.188 11.313
85 HB2 SER 14 HB1 SER 14 18.783 -12.354 11.419
86 HB3 SER 14 HB2 SER 14 18.172 -11.844 12.992
87 HG SER 14 HG SER 14 19.954 -12.918 13.535
88 H VAL 15 HN VAL 15 15.503 -12.879 13.979
89 HA VAL 15 HA VAL 15 16.319 -14.946 15.834
90 HB VAL 15 HB VAL 15 14.604 -13.939 17.336
91 HG11 VAL 15 HG11 VAL 15 16.059 -12.356 18.027
92 HG12 VAL 15 HG12 VAL 15 17.090 -13.067 16.783
93 HG13 VAL 15 HG13 VAL 15 16.166 -11.605 16.435
94 HG21 VAL 15 HG21 VAL 15 12.992 -12.651 16.520
95 HG22 VAL 15 HG22 VAL 15 14.190 -11.487 15.955
96 HG23 VAL 15 HG23 VAL 15 13.683 -12.810 14.905
97 H GLU 16 HN GLU 16 13.935 -14.526 13.422
98 HA GLU 16 HA GLU 16 12.710 -17.067 14.191
99 HB2 GLU 16 HB1 GLU 16 11.350 -14.443 14.069
100 HB3 GLU 16 HB2 GLU 16 10.508 -15.777 13.295
101 HG2 GLU 16 HG1 GLU 16 10.393 -17.002 15.310
102 HG3 GLU 16 HG2 GLU 16 11.533 -15.924 16.112
103 H LEU 17 HN LEU 17 11.005 -17.615 12.334
104 HA LEU 17 HA LEU 17 12.480 -17.286 9.811
105 HB2 LEU 17 HB1 LEU 17 12.160 -19.587 10.793
106 HB3 LEU 17 HB2 LEU 17 10.439 -19.400 10.462
107 HG LEU 17 HG LEU 17 10.885 -19.279 8.078
108 HD11 LEU 17 HD11 LEU 17 13.172 -19.732 7.238
109 HD12 LEU 17 HD12 LEU 17 13.775 -19.553 8.885
110 HD13 LEU 17 HD13 LEU 17 13.021 -18.184 8.068
111 HD21 LEU 17 HD21 LEU 17 11.708 -21.572 7.740
112 HD22 LEU 17 HD22 LEU 17 10.519 -21.473 9.039
113 HD23 LEU 17 HD23 LEU 17 12.235 -21.617 9.422
114 H LEU 18 HN LEU 18 9.486 -16.682 11.398
115 HA LEU 18 HA LEU 18 7.698 -16.523 9.282
116 HB2 LEU 18 HB1 LEU 18 7.371 -16.199 11.838
117 HB3 LEU 18 HB2 LEU 18 7.672 -14.499 11.485
118 HG LEU 18 HG LEU 18 5.752 -14.811 9.744
119 HD11 LEU 18 HD11 LEU 18 5.663 -17.298 11.305
120 HD12 LEU 18 HD12 LEU 18 5.040 -16.941 9.695
121 HD13 LEU 18 HD13 LEU 18 4.118 -16.467 11.122
122 HD21 LEU 18 HD21 LEU 18 4.449 -13.677 11.194
123 HD22 LEU 18 HD22 LEU 18 5.915 -13.667 12.175
124 HD23 LEU 18 HD23 LEU 18 4.657 -14.866 12.480
125 H DSG 19 HN DAS 19 9.821 -13.980 10.580
126 HB2 DSG 19 HB2 DAS 19 9.102 -10.696 8.353
127 HB3 DSG 19 HB1 DAS 19 8.148 -12.110 7.914
128 HD21 DSG 19 HD21 DAS 19 8.946 -9.865 10.452
129 HD22 DSG 19 HD22 DAS 19 7.602 -10.236 11.473
130 H LEU 20 HN LEU 20 11.095 -14.727 8.422
131 HA LEU 20 HA LEU 20 12.653 -13.777 6.228
132 HB2 LEU 20 HB1 LEU 20 12.806 -15.914 7.900
133 HB3 LEU 20 HB2 LEU 20 12.195 -16.672 6.431
134 HG LEU 20 HG LEU 20 14.601 -16.860 6.522
135 HD11 LEU 20 HD11 LEU 20 14.125 -14.731 4.481
136 HD12 LEU 20 HD12 LEU 20 13.290 -16.280 4.358
137 HD13 LEU 20 HD13 LEU 20 15.053 -16.225 4.350
138 HD21 LEU 20 HD21 LEU 20 14.849 -14.768 7.953
139 HD22 LEU 20 HD22 LEU 20 14.802 -13.864 6.440
140 HD23 LEU 20 HD23 LEU 20 16.079 -15.047 6.721
141 H VAL 21 HN VAL 21 9.450 -14.900 6.548
142 HA VAL 21 HA VAL 21 9.021 -16.108 4.051
143 HB VAL 21 HB VAL 21 7.067 -14.524 5.726
144 HG11 VAL 21 HG11 VAL 21 5.534 -16.300 4.456
145 HG12 VAL 21 HG12 VAL 21 5.880 -14.700 3.798
146 HG13 VAL 21 HG13 VAL 21 6.790 -16.102 3.235
147 HG21 VAL 21 HG21 VAL 21 7.529 -17.502 5.626
148 HG22 VAL 21 HG22 VAL 21 8.144 -16.435 6.888
149 HG23 VAL 21 HG23 VAL 21 6.405 -16.637 6.674
150 H DTH 22 HN DTH 22 9.116 -12.746 5.035
151 HB DTH 22 HB DTH 22 7.305 -12.193 1.874
152 HG21 DTH 22 HG21 DTH 22 6.147 -12.487 3.889
153 HG22 DTH 22 HG22 DTH 22 6.797 -11.004 4.588
154 HG23 DTH 22 HG23 DTH 22 5.557 -10.920 3.337
155 HG1 DTH 22 HG1 DTH 22 7.334 -9.467 2.643
156 H ALA 23 HN ALA 23 10.946 -13.136 3.139
157 HA ALA 23 HA ALA 23 12.562 -11.899 1.280
158 HB1 ALA 23 HB1 ALA 23 13.722 -14.002 1.046
159 HB2 ALA 23 HB2 ALA 23 13.249 -13.777 2.731
160 HB3 ALA 23 HB3 ALA 23 12.335 -14.876 1.699
161 H ALA 24 HN ALA 24 9.767 -13.916 0.754
162 HA ALA 24 HA ALA 24 10.138 -14.681 -1.891
163 HB1 ALA 24 HB1 ALA 24 8.289 -15.704 -1.105
164 HB2 ALA 24 HB2 ALA 24 7.819 -14.328 -0.107
165 HB3 ALA 24 HB3 ALA 24 7.472 -14.322 -1.836
166 H DTH 25 HN DTH 25 9.133 -11.605 -0.550
167 HB DTH 25 HB DTH 25 8.050 -10.974 -4.066
168 HG21 DTH 25 HG21 DTH 25 5.719 -10.933 -3.215
169 HG22 DTH 25 HG22 DTH 25 6.752 -11.995 -2.259
170 HG23 DTH 25 HG23 DTH 25 6.320 -10.399 -1.646
171 HG1 DTH 25 HG1 DTH 25 7.895 -8.880 -4.481
172 H GLY 26 HN GLY 26 11.381 -10.818 -1.616
173 HA2 GLY 26 HA1 GLY 26 12.782 -8.910 -3.068
174 HA3 GLY 26 HA2 GLY 26 13.446 -10.454 -2.552
175 H ALA 27 HN ALA 27 11.389 -11.908 -4.153
176 HA ALA 27 HA ALA 27 12.888 -12.373 -6.455
177 HB1 ALA 27 HB1 ALA 27 10.972 -13.641 -7.265
178 HB2 ALA 27 HB2 ALA 27 11.265 -13.968 -5.557
179 HB3 ALA 27 HB3 ALA 27 9.948 -12.898 -6.036
180 H DSN 28 HN DSN 28 10.511 -9.951 -5.776
181 HB2 DSN 28 HB2 DSN 28 9.621 -10.158 -9.173
182 HB3 DSN 28 HB1 DSN 28 8.375 -9.781 -7.983
183 HG DSN 28 HG DSN 28 9.008 -8.490 -10.282
184 H THR 29 HN THR 29 12.650 -8.479 -6.795
185 HA THR 29 HA THR 29 13.464 -6.778 -8.976
186 HB THR 29 HB THR 29 15.573 -6.555 -7.828
187 HG1 THR 29 HG1 THR 29 16.267 -7.993 -6.399
188 HG21 THR 29 HG21 THR 29 14.850 -5.527 -5.840
189 HG22 THR 29 HG22 THR 29 13.514 -6.659 -5.639
190 HG23 THR 29 HG23 THR 29 13.456 -5.444 -6.915
191 H ALA 30 HN ALA 30 14.194 -10.051 -7.845
192 HA ALA 30 HA ALA 30 16.037 -10.530 -10.024
193 HB1 ALA 30 HB1 ALA 30 14.992 -12.275 -7.806
194 HB2 ALA 30 HB2 ALA 30 16.083 -12.858 -9.064
195 HB3 ALA 30 HB3 ALA 30 16.602 -11.574 -7.973
196 H SER 31 HN SER 31 13.871 -9.826 -11.305
197 HA SER 31 HA SER 31 13.015 -12.265 -12.609
198 HB2 SER 31 HB1 SER 31 11.195 -12.287 -11.173
199 HB3 SER 31 HB2 SER 31 11.162 -10.531 -11.021
200 HG SER 31 HG SER 31 10.257 -12.127 -13.172
Start of MODEL 2
1 H1 ASP 1 HN ASP 1 1.863 -9.334 -3.198
2 HA ASP 1 HA ASP 1 4.284 -8.405 -4.052
3 HB2 ASP 1 HB1 ASP 1 3.211 -8.052 -6.280
4 HB3 ASP 1 HB2 ASP 1 2.827 -9.608 -5.549
5 H TRP 2 HN TRP 2 3.432 -6.565 -2.099
6 HA TRP 2 HA TRP 2 2.449 -4.148 -3.119
7 HB2 TRP 2 HB1 TRP 2 4.187 -4.791 -0.741
8 HB3 TRP 2 HB2 TRP 2 3.677 -3.145 -1.106
9 HD1 TRP 2 HD1 TRP 2 2.730 -5.734 1.127
10 HE1 TRP 2 HE1 TRP 2 0.235 -5.653 1.751
11 HE3 TRP 2 HE3 TRP 2 1.057 -2.677 -2.613
12 HZ2 TRP 2 HZ2 TRP 2 -2.130 -4.453 0.785
13 HZ3 TRP 2 HZ3 TRP 2 -1.336 -2.111 -2.693
14 HH2 TRP 2 HH2 TRP 2 -2.895 -2.982 -1.028
15 H THR 3 HN THR 3 5.831 -5.049 -2.420
16 HA THR 3 HA THR 3 6.827 -3.861 -4.795
17 HB THR 3 HB THR 3 8.263 -2.229 -3.120
18 HG1 THR 3 HG1 THR 3 6.937 -2.378 -1.366
19 HG21 THR 3 HG21 THR 3 7.395 -0.508 -4.376
20 HG22 THR 3 HG22 THR 3 5.759 -1.166 -4.345
21 HG23 THR 3 HG23 THR 3 6.981 -1.888 -5.393
22 H CYS 4 HN CYS 4 8.846 -4.587 -5.232
23 HA CYS 4 HA CYS 4 9.947 -6.637 -3.629
24 HB2 CYS 4 HB1 CYS 4 11.174 -5.105 -5.932
25 HB3 CYS 4 HB2 CYS 4 11.830 -6.585 -5.240
26 H TRP 5 HN TRP 5 10.376 -3.221 -3.673
27 HA TRP 5 HA TRP 5 12.955 -3.124 -2.478
28 HB2 TRP 5 HB1 TRP 5 10.763 -1.180 -3.005
29 HB3 TRP 5 HB2 TRP 5 11.950 -0.750 -1.776
30 HD1 TRP 5 HD1 TRP 5 14.508 -0.427 -2.609
31 HE1 TRP 5 HE1 TRP 5 15.462 0.190 -4.918
32 HE3 TRP 5 HE3 TRP 5 10.406 -1.455 -5.481
33 HZ2 TRP 5 HZ2 TRP 5 14.590 0.235 -7.603
34 HZ3 TRP 5 HZ3 TRP 5 10.549 -1.098 -7.911
35 HH2 TRP 5 HH2 TRP 5 12.598 -0.270 -8.948
36 H SER 6 HN SER 6 9.659 -2.878 -1.180
37 HA SER 6 HA SER 6 10.379 -2.453 1.501
38 HB2 SER 6 HB1 SER 6 8.126 -2.002 0.875
39 HB3 SER 6 HB2 SER 6 7.903 -3.630 0.235
40 HG SER 6 HG SER 6 6.953 -3.401 2.296
41 H CYS 7 HN CYS 7 10.362 -5.300 -0.452
42 HA CYS 7 HA CYS 7 10.198 -7.238 1.604
43 HB2 CYS 7 HB1 CYS 7 11.204 -7.275 -1.227
44 HB3 CYS 7 HB2 CYS 7 11.403 -8.681 -0.186
45 H LEU 8 HN LEU 8 12.627 -5.043 0.778
46 HA LEU 8 HA LEU 8 14.953 -6.520 1.357
47 HB2 LEU 8 HB1 LEU 8 15.172 -4.445 0.232
48 HB3 LEU 8 HB2 LEU 8 14.318 -3.585 1.511
49 HG LEU 8 HG LEU 8 16.813 -4.912 2.339
50 HD11 LEU 8 HD11 LEU 8 17.199 -3.956 -0.020
51 HD12 LEU 8 HD12 LEU 8 18.319 -3.507 1.266
52 HD13 LEU 8 HD13 LEU 8 17.060 -2.380 0.759
53 HD21 LEU 8 HD21 LEU 8 16.988 -2.375 3.162
54 HD22 LEU 8 HD22 LEU 8 16.051 -3.599 4.020
55 HD23 LEU 8 HD23 LEU 8 15.243 -2.476 2.927
56 H VAL 9 HN VAL 9 12.882 -4.497 3.409
57 HA VAL 9 HA VAL 9 14.401 -4.783 5.770
58 HB VAL 9 HB VAL 9 12.662 -3.037 5.427
59 HG11 VAL 9 HG11 VAL 9 10.393 -4.500 6.345
60 HG12 VAL 9 HG12 VAL 9 10.586 -3.573 4.855
61 HG13 VAL 9 HG13 VAL 9 11.028 -5.281 4.897
62 HG21 VAL 9 HG21 VAL 9 13.528 -4.021 7.708
63 HG22 VAL 9 HG22 VAL 9 12.230 -2.827 7.670
64 HG23 VAL 9 HG23 VAL 9 11.850 -4.538 7.869
65 H CYS 10 HN CYS 10 12.371 -6.953 4.106
66 HA CYS 10 HA CYS 10 11.414 -8.494 6.281
67 HB2 CYS 10 HB1 CYS 10 11.088 -8.498 3.509
68 HB3 CYS 10 HB2 CYS 10 11.848 -10.045 3.866
69 H ALA 11 HN ALA 11 14.460 -8.313 4.672
70 HA ALA 11 HA ALA 11 15.440 -10.891 5.352
71 HB1 ALA 11 HB1 ALA 11 17.706 -9.522 5.068
72 HB2 ALA 11 HB2 ALA 11 16.723 -10.024 3.692
73 HB3 ALA 11 HB3 ALA 11 16.603 -8.376 4.306
74 H ALA 12 HN ALA 12 14.737 -8.211 7.240
75 HA ALA 12 HA ALA 12 16.846 -8.369 9.148
76 HB1 ALA 12 HB1 ALA 12 15.091 -6.474 8.666
77 HB2 ALA 12 HB2 ALA 12 14.161 -7.326 9.899
78 HB3 ALA 12 HB3 ALA 12 15.765 -6.698 10.281
79 H CYS 13 HN CYS 13 14.318 -10.441 8.450
80 HA CYS 13 HA CYS 13 13.663 -11.296 11.102
81 HB2 CYS 13 HB1 CYS 13 12.969 -12.096 8.345
82 HB3 CYS 13 HB2 CYS 13 12.932 -13.393 9.535
83 H SER 14 HN SER 14 15.379 -11.984 12.274
84 HA SER 14 HA SER 14 17.189 -13.964 11.091
85 HB2 SER 14 HB1 SER 14 18.524 -12.352 12.090
86 HB3 SER 14 HB2 SER 14 17.385 -12.076 13.408
87 HG SER 14 HG SER 14 19.369 -13.281 13.926
88 H VAL 15 HN VAL 15 15.684 -13.459 14.288
89 HA VAL 15 HA VAL 15 15.708 -16.316 14.780
90 HB VAL 15 HB VAL 15 14.604 -14.108 16.521
91 HG11 VAL 15 HG11 VAL 15 15.109 -17.031 16.940
92 HG12 VAL 15 HG12 VAL 15 15.112 -15.905 18.299
93 HG13 VAL 15 HG13 VAL 15 13.665 -16.087 17.306
94 HG21 VAL 15 HG21 VAL 15 17.349 -15.108 16.073
95 HG22 VAL 15 HG22 VAL 15 16.790 -13.514 16.580
96 HG23 VAL 15 HG23 VAL 15 16.874 -14.832 17.749
97 H GLU 16 HN GLU 16 13.540 -13.971 13.562
98 HA GLU 16 HA GLU 16 11.187 -15.601 14.156
99 HB2 GLU 16 HB1 GLU 16 11.269 -13.040 14.389
100 HB3 GLU 16 HB2 GLU 16 11.194 -13.005 12.633
101 HG2 GLU 16 HG1 GLU 16 8.985 -12.776 13.210
102 HG3 GLU 16 HG2 GLU 16 9.111 -14.514 12.943
103 H LEU 17 HN LEU 17 11.450 -17.364 12.806
104 HA LEU 17 HA LEU 17 12.261 -17.396 10.168
105 HB2 LEU 17 HB1 LEU 17 11.837 -19.377 11.613
106 HB3 LEU 17 HB2 LEU 17 10.109 -19.135 11.364
107 HG LEU 17 HG LEU 17 10.457 -19.518 8.936
108 HD11 LEU 17 HD11 LEU 17 12.712 -20.798 8.524
109 HD12 LEU 17 HD12 LEU 17 13.274 -19.790 9.857
110 HD13 LEU 17 HD13 LEU 17 12.628 -19.041 8.396
111 HD21 LEU 17 HD21 LEU 17 11.339 -21.699 10.822
112 HD22 LEU 17 HD22 LEU 17 10.869 -21.958 9.142
113 HD23 LEU 17 HD23 LEU 17 9.692 -21.341 10.302
114 H LEU 18 HN LEU 18 9.126 -16.576 11.510
115 HA LEU 18 HA LEU 18 7.584 -16.659 9.185
116 HB2 LEU 18 HB1 LEU 18 7.420 -15.138 11.745
117 HB3 LEU 18 HB2 LEU 18 6.325 -14.727 10.427
118 HG LEU 18 HG LEU 18 5.594 -17.143 10.438
119 HD11 LEU 18 HD11 LEU 18 7.144 -18.398 11.547
120 HD12 LEU 18 HD12 LEU 18 6.003 -18.104 12.858
121 HD13 LEU 18 HD13 LEU 18 7.475 -17.141 12.740
122 HD21 LEU 18 HD21 LEU 18 4.269 -15.334 11.428
123 HD22 LEU 18 HD22 LEU 18 5.126 -15.546 12.955
124 HD23 LEU 18 HD23 LEU 18 4.100 -16.839 12.331
125 H DSG 19 HN DAS 19 9.487 -13.998 10.563
126 HB2 DSG 19 HB2 DAS 19 8.889 -10.767 8.249
127 HB3 DSG 19 HB1 DAS 19 7.860 -12.161 7.936
128 HD21 DSG 19 HD21 DAS 19 6.024 -11.923 8.968
129 HD22 DSG 19 HD22 DAS 19 5.831 -11.375 10.595
130 H LEU 20 HN LEU 20 11.112 -14.661 8.494
131 HA LEU 20 HA LEU 20 12.613 -13.831 6.303
132 HB2 LEU 20 HB1 LEU 20 12.723 -15.961 7.855
133 HB3 LEU 20 HB2 LEU 20 11.812 -16.690 6.534
134 HG LEU 20 HG LEU 20 13.664 -16.022 4.993
135 HD11 LEU 20 HD11 LEU 20 14.651 -14.834 7.483
136 HD12 LEU 20 HD12 LEU 20 15.012 -14.427 5.806
137 HD13 LEU 20 HD13 LEU 20 15.848 -15.769 6.587
138 HD21 LEU 20 HD21 LEU 20 15.213 -17.786 5.776
139 HD22 LEU 20 HD22 LEU 20 13.523 -18.289 5.792
140 HD23 LEU 20 HD23 LEU 20 14.326 -17.848 7.299
141 H VAL 21 HN VAL 21 9.338 -14.902 6.481
142 HA VAL 21 HA VAL 21 8.952 -15.816 3.856
143 HB VAL 21 HB VAL 21 6.964 -14.427 5.658
144 HG11 VAL 21 HG11 VAL 21 5.847 -14.396 3.671
145 HG12 VAL 21 HG12 VAL 21 6.731 -15.780 3.025
146 HG13 VAL 21 HG13 VAL 21 5.439 -16.027 4.200
147 HG21 VAL 21 HG21 VAL 21 6.710 -17.299 5.375
148 HG22 VAL 21 HG22 VAL 21 8.273 -16.840 6.051
149 HG23 VAL 21 HG23 VAL 21 6.784 -16.312 6.835
150 H DTH 22 HN DTH 22 9.277 -12.623 5.159
151 HB DTH 22 HB DTH 22 7.371 -11.661 2.139
152 HG21 DTH 22 HG21 DTH 22 5.742 -10.395 3.799
153 HG22 DTH 22 HG22 DTH 22 6.167 -12.084 4.073
154 HG23 DTH 22 HG23 DTH 22 6.982 -10.811 4.981
155 HG1 DTH 22 HG1 DTH 22 7.365 -9.645 1.518
156 H ALA 23 HN ALA 23 11.112 -12.709 3.319
157 HA ALA 23 HA ALA 23 12.612 -11.313 1.458
158 HB1 ALA 23 HB1 ALA 23 12.848 -14.250 1.343
159 HB2 ALA 23 HB2 ALA 23 14.084 -13.018 1.601
160 HB3 ALA 23 HB3 ALA 23 13.044 -13.517 2.935
161 H ALA 24 HN ALA 24 9.913 -13.444 0.969
162 HA ALA 24 HA ALA 24 10.252 -14.235 -1.661
163 HB1 ALA 24 HB1 ALA 24 8.320 -14.617 0.147
164 HB2 ALA 24 HB2 ALA 24 7.520 -13.423 -0.876
165 HB3 ALA 24 HB3 ALA 24 8.101 -14.934 -1.574
166 H DTH 25 HN DTH 25 9.336 -11.121 -0.377
167 HB DTH 25 HB DTH 25 8.100 -10.591 -3.834
168 HG21 DTH 25 HG21 DTH 25 5.848 -10.526 -2.933
169 HG22 DTH 25 HG22 DTH 25 6.888 -11.365 -1.782
170 HG23 DTH 25 HG23 DTH 25 6.412 -9.693 -1.485
171 HG1 DTH 25 HG1 DTH 25 7.250 -8.674 -4.375
172 H GLY 26 HN GLY 26 11.551 -10.439 -1.574
173 HA2 GLY 26 HA1 GLY 26 12.915 -8.592 -3.157
174 HA3 GLY 26 HA2 GLY 26 13.585 -10.113 -2.585
175 H ALA 27 HN ALA 27 11.317 -11.506 -4.074
176 HA ALA 27 HA ALA 27 12.742 -12.241 -6.351
177 HB1 ALA 27 HB1 ALA 27 10.705 -13.352 -5.154
178 HB2 ALA 27 HB2 ALA 27 9.764 -12.429 -6.327
179 HB3 ALA 27 HB3 ALA 27 10.962 -13.599 -6.882
180 H DSN 28 HN DSN 28 10.667 -9.537 -5.793
181 HB2 DSN 28 HB2 DSN 28 9.289 -8.223 -9.380
182 HB3 DSN 28 HB1 DSN 28 9.927 -9.861 -9.238
183 HG DSN 28 HG DSN 28 7.713 -9.804 -8.734
184 H THR 29 HN THR 29 12.887 -8.407 -6.754
185 HA THR 29 HA THR 29 13.950 -6.638 -8.755
186 HB THR 29 HB THR 29 16.013 -6.716 -7.545
187 HG1 THR 29 HG1 THR 29 16.568 -8.359 -6.270
188 HG21 THR 29 HG21 THR 29 15.326 -5.759 -5.571
189 HG22 THR 29 HG22 THR 29 14.082 -6.976 -5.288
190 HG23 THR 29 HG23 THR 29 13.820 -5.708 -6.485
191 H ALA 30 HN ALA 30 13.804 -10.060 -8.259
192 HA ALA 30 HA ALA 30 15.953 -10.671 -10.089
193 HB1 ALA 30 HB1 ALA 30 15.206 -12.070 -8.073
194 HB2 ALA 30 HB2 ALA 30 13.908 -12.640 -9.123
195 HB3 ALA 30 HB3 ALA 30 15.591 -12.917 -9.572
196 H SER 31 HN SER 31 12.517 -10.222 -10.230
197 HA SER 31 HA SER 31 12.236 -11.508 -12.807
198 HB2 SER 31 HB1 SER 31 9.950 -11.221 -12.560
199 HB3 SER 31 HB2 SER 31 10.463 -11.272 -10.874
200 HG SER 31 HG SER 31 9.293 -9.259 -12.249
Start of MODEL 3
1 H1 ASP 1 HN ASP 1 -0.610 -5.795 -4.556
2 HA ASP 1 HA ASP 1 1.562 -4.982 -5.880
3 HB2 ASP 1 HB1 ASP 1 -0.213 -3.426 -4.020
4 HB3 ASP 1 HB2 ASP 1 1.109 -2.633 -4.872
5 H TRP 2 HN TRP 2 2.358 -6.591 -3.541
6 HA TRP 2 HA TRP 2 3.772 -5.059 -1.663
7 HB2 TRP 2 HB1 TRP 2 3.937 -7.896 -2.608
8 HB3 TRP 2 HB2 TRP 2 5.202 -7.266 -1.556
9 HD1 TRP 2 HD1 TRP 2 3.809 -5.762 0.647
10 HE1 TRP 2 HE1 TRP 2 2.097 -6.853 2.229
11 HE3 TRP 2 HE3 TRP 2 2.444 -9.744 -2.254
12 HZ2 TRP 2 HZ2 TRP 2 0.395 -9.104 2.246
13 HZ3 TRP 2 HZ3 TRP 2 0.768 -11.320 -1.381
14 HH2 TRP 2 HH2 TRP 2 -0.234 -11.005 0.823
15 H THR 3 HN THR 3 5.325 -3.645 -2.098
16 HA THR 3 HA THR 3 6.837 -3.625 -4.490
17 HB THR 3 HB THR 3 7.772 -2.214 -2.015
18 HG1 THR 3 HG1 THR 3 6.000 -1.065 -1.930
19 HG21 THR 3 HG21 THR 3 8.969 -1.008 -3.465
20 HG22 THR 3 HG22 THR 3 7.547 -0.681 -4.457
21 HG23 THR 3 HG23 THR 3 8.482 -2.155 -4.713
22 H CYS 4 HN CYS 4 8.840 -4.367 -4.970
23 HA CYS 4 HA CYS 4 9.926 -6.479 -3.427
24 HB2 CYS 4 HB1 CYS 4 11.119 -4.936 -5.740
25 HB3 CYS 4 HB2 CYS 4 11.779 -6.429 -5.079
26 H TRP 5 HN TRP 5 10.426 -3.071 -3.440
27 HA TRP 5 HA TRP 5 13.030 -3.046 -2.296
28 HB2 TRP 5 HB1 TRP 5 10.879 -1.050 -2.774
29 HB3 TRP 5 HB2 TRP 5 12.078 -0.658 -1.545
30 HD1 TRP 5 HD1 TRP 5 14.298 0.343 -2.384
31 HE1 TRP 5 HE1 TRP 5 15.386 0.691 -4.691
32 HE3 TRP 5 HE3 TRP 5 10.977 -2.280 -5.253
33 HZ2 TRP 5 HZ2 TRP 5 14.901 -0.048 -7.372
34 HZ3 TRP 5 HZ3 TRP 5 11.361 -2.410 -7.680
35 HH2 TRP 5 HH2 TRP 5 13.282 -1.316 -8.715
36 H SER 6 HN SER 6 9.765 -2.761 -0.934
37 HA SER 6 HA SER 6 10.551 -2.378 1.739
38 HB2 SER 6 HB1 SER 6 8.034 -3.261 0.385
39 HB3 SER 6 HB2 SER 6 8.170 -3.458 2.133
40 HG SER 6 HG SER 6 7.272 -1.403 1.345
41 H CYS 7 HN CYS 7 10.415 -5.197 -0.250
42 HA CYS 7 HA CYS 7 10.235 -7.159 1.781
43 HB2 CYS 7 HB1 CYS 7 11.250 -7.209 -1.054
44 HB3 CYS 7 HB2 CYS 7 11.315 -8.635 -0.024
45 H LEU 8 HN LEU 8 12.711 -5.022 0.938
46 HA LEU 8 HA LEU 8 15.015 -6.542 1.423
47 HB2 LEU 8 HB1 LEU 8 15.256 -4.418 0.413
48 HB3 LEU 8 HB2 LEU 8 14.415 -3.614 1.737
49 HG LEU 8 HG LEU 8 16.727 -4.895 2.794
50 HD11 LEU 8 HD11 LEU 8 17.135 -3.439 0.216
51 HD12 LEU 8 HD12 LEU 8 17.896 -4.918 0.801
52 HD13 LEU 8 HD13 LEU 8 18.355 -3.359 1.487
53 HD21 LEU 8 HD21 LEU 8 15.805 -3.028 3.884
54 HD22 LEU 8 HD22 LEU 8 15.818 -2.056 2.412
55 HD23 LEU 8 HD23 LEU 8 17.335 -2.460 3.216
56 H VAL 9 HN VAL 9 13.074 -4.543 3.631
57 HA VAL 9 HA VAL 9 14.625 -5.046 5.934
58 HB VAL 9 HB VAL 9 12.969 -3.191 5.712
59 HG11 VAL 9 HG11 VAL 9 11.220 -5.183 4.988
60 HG12 VAL 9 HG12 VAL 9 10.716 -4.792 6.633
61 HG13 VAL 9 HG13 VAL 9 10.782 -3.527 5.405
62 HG21 VAL 9 HG21 VAL 9 12.164 -4.736 8.123
63 HG22 VAL 9 HG22 VAL 9 13.866 -4.326 7.919
64 HG23 VAL 9 HG23 VAL 9 12.652 -3.048 7.975
65 H CYS 10 HN CYS 10 12.414 -6.993 4.214
66 HA CYS 10 HA CYS 10 11.432 -8.597 6.331
67 HB2 CYS 10 HB1 CYS 10 11.029 -8.422 3.571
68 HB3 CYS 10 HB2 CYS 10 11.690 -10.034 3.824
69 H ALA 11 HN ALA 11 14.409 -8.557 4.555
70 HA ALA 11 HA ALA 11 15.240 -11.213 5.124
71 HB1 ALA 11 HB1 ALA 11 16.382 -8.837 3.887
72 HB2 ALA 11 HB2 ALA 11 17.563 -9.784 4.793
73 HB3 ALA 11 HB3 ALA 11 16.625 -10.542 3.507
74 H ALA 12 HN ALA 12 14.850 -8.531 7.101
75 HA ALA 12 HA ALA 12 17.052 -8.887 8.873
76 HB1 ALA 12 HB1 ALA 12 14.422 -7.609 9.576
77 HB2 ALA 12 HB2 ALA 12 16.015 -7.282 10.259
78 HB3 ALA 12 HB3 ALA 12 15.650 -6.798 8.603
79 H CYS 13 HN CYS 13 14.345 -10.755 8.292
80 HA CYS 13 HA CYS 13 13.779 -11.615 10.962
81 HB2 CYS 13 HB1 CYS 13 12.917 -12.381 8.226
82 HB3 CYS 13 HB2 CYS 13 12.770 -13.613 9.475
83 H SER 14 HN SER 14 15.723 -12.262 11.885
84 HA SER 14 HA SER 14 16.925 -14.693 10.730
85 HB2 SER 14 HB1 SER 14 18.141 -12.363 12.176
86 HB3 SER 14 HB2 SER 14 18.921 -13.943 12.255
87 HG SER 14 HG SER 14 19.672 -12.627 10.506
88 H VAL 15 HN VAL 15 15.478 -13.222 13.504
89 HA VAL 15 HA VAL 15 16.243 -15.353 15.313
90 HB VAL 15 HB VAL 15 14.245 -13.134 15.769
91 HG11 VAL 15 HG11 VAL 15 13.824 -14.249 17.649
92 HG12 VAL 15 HG12 VAL 15 15.140 -15.386 17.346
93 HG13 VAL 15 HG13 VAL 15 15.465 -13.855 18.161
94 HG21 VAL 15 HG21 VAL 15 16.076 -11.832 15.538
95 HG22 VAL 15 HG22 VAL 15 16.411 -12.383 17.179
96 HG23 VAL 15 HG23 VAL 15 17.195 -13.168 15.808
97 H GLU 16 HN GLU 16 13.743 -14.723 13.078
98 HA GLU 16 HA GLU 16 12.330 -17.119 13.980
99 HB2 GLU 16 HB1 GLU 16 10.989 -14.471 13.409
100 HB3 GLU 16 HB2 GLU 16 10.138 -15.995 13.618
101 HG2 GLU 16 HG1 GLU 16 11.956 -14.917 15.740
102 HG3 GLU 16 HG2 GLU 16 10.275 -14.404 15.611
103 H LEU 17 HN LEU 17 10.549 -17.658 12.277
104 HA LEU 17 HA LEU 17 11.834 -17.455 9.646
105 HB2 LEU 17 HB1 LEU 17 11.014 -19.654 11.002
106 HB3 LEU 17 HB2 LEU 17 9.594 -19.327 10.011
107 HG LEU 17 HG LEU 17 11.087 -20.966 8.972
108 HD11 LEU 17 HD11 LEU 17 9.772 -19.022 7.739
109 HD12 LEU 17 HD12 LEU 17 10.777 -20.177 6.864
110 HD13 LEU 17 HD13 LEU 17 11.406 -18.575 7.248
111 HD21 LEU 17 HD21 LEU 17 13.176 -19.955 9.979
112 HD22 LEU 17 HD22 LEU 17 13.104 -18.752 8.692
113 HD23 LEU 17 HD23 LEU 17 13.292 -20.460 8.293
114 H LEU 18 HN LEU 18 9.013 -16.576 11.414
115 HA LEU 18 HA LEU 18 7.108 -16.302 9.415
116 HB2 LEU 18 HB1 LEU 18 6.939 -15.934 11.962
117 HB3 LEU 18 HB2 LEU 18 7.419 -14.276 11.602
118 HG LEU 18 HG LEU 18 5.428 -14.003 10.204
119 HD11 LEU 18 HD11 LEU 18 4.945 -16.866 10.970
120 HD12 LEU 18 HD12 LEU 18 5.006 -16.154 9.358
121 HD13 LEU 18 HD13 LEU 18 3.649 -15.799 10.428
122 HD21 LEU 18 HD21 LEU 18 4.258 -13.374 11.994
123 HD22 LEU 18 HD22 LEU 18 5.550 -14.086 12.960
124 HD23 LEU 18 HD23 LEU 18 4.110 -15.031 12.580
125 H DSG 19 HN DAS 19 9.482 -13.899 10.542
126 HB2 DSG 19 HB2 DAS 19 8.894 -10.596 8.336
127 HB3 DSG 19 HB1 DAS 19 7.839 -11.934 7.891
128 HD21 DSG 19 HD21 DAS 19 6.108 -12.270 9.086
129 HD22 DSG 19 HD22 DAS 19 5.826 -11.621 10.662
130 H LEU 20 HN LEU 20 10.827 -14.684 8.420
131 HA LEU 20 HA LEU 20 12.323 -13.987 6.177
132 HB2 LEU 20 HB1 LEU 20 12.261 -16.132 7.738
133 HB3 LEU 20 HB2 LEU 20 11.297 -16.765 6.405
134 HG LEU 20 HG LEU 20 13.304 -15.992 4.938
135 HD11 LEU 20 HD11 LEU 20 15.152 -16.656 7.042
136 HD12 LEU 20 HD12 LEU 20 14.236 -15.204 7.446
137 HD13 LEU 20 HD13 LEU 20 15.149 -15.278 5.940
138 HD21 LEU 20 HD21 LEU 20 14.185 -18.163 5.024
139 HD22 LEU 20 HD22 LEU 20 12.501 -18.344 5.518
140 HD23 LEU 20 HD23 LEU 20 13.783 -18.353 6.731
141 H VAL 21 HN VAL 21 8.975 -14.763 6.474
142 HA VAL 21 HA VAL 21 8.417 -15.639 3.866
143 HB VAL 21 HB VAL 21 6.629 -14.087 5.743
144 HG11 VAL 21 HG11 VAL 21 5.217 -14.010 4.022
145 HG12 VAL 21 HG12 VAL 21 6.241 -15.064 3.045
146 HG13 VAL 21 HG13 VAL 21 5.077 -15.762 4.172
147 HG21 VAL 21 HG21 VAL 21 7.615 -16.278 6.561
148 HG22 VAL 21 HG22 VAL 21 5.855 -16.156 6.571
149 HG23 VAL 21 HG23 VAL 21 6.670 -17.060 5.294
150 H DTH 22 HN DTH 22 8.984 -12.466 5.177
151 HB DTH 22 HB DTH 22 7.158 -11.375 2.137
152 HG21 DTH 22 HG21 DTH 22 5.715 -11.635 3.859
153 HG22 DTH 22 HG22 DTH 22 6.820 -10.872 5.003
154 HG23 DTH 22 HG23 DTH 22 5.766 -9.878 3.998
155 HG1 DTH 22 HG1 DTH 22 7.411 -9.372 1.526
156 H ALA 23 HN ALA 23 10.763 -12.729 3.297
157 HA ALA 23 HA ALA 23 12.394 -11.431 1.475
158 HB1 ALA 23 HB1 ALA 23 12.917 -13.474 2.890
159 HB2 ALA 23 HB2 ALA 23 12.163 -14.424 1.608
160 HB3 ALA 23 HB3 ALA 23 13.589 -13.446 1.259
161 H ALA 24 HN ALA 24 9.506 -13.280 0.930
162 HA ALA 24 HA ALA 24 9.776 -14.038 -1.718
163 HB1 ALA 24 HB1 ALA 24 7.563 -14.517 -1.657
164 HB2 ALA 24 HB2 ALA 24 7.809 -14.277 0.073
165 HB3 ALA 24 HB3 ALA 24 7.135 -12.977 -0.910
166 H DTH 25 HN DTH 25 9.128 -10.881 -0.362
167 HB DTH 25 HB DTH 25 7.994 -10.177 -3.810
168 HG21 DTH 25 HG21 DTH 25 6.551 -9.362 -1.285
169 HG22 DTH 25 HG22 DTH 25 5.719 -9.545 -2.829
170 HG23 DTH 25 HG23 DTH 25 6.526 -10.929 -2.092
171 HG1 DTH 25 HG1 DTH 25 7.252 -7.631 -2.840
172 H GLY 26 HN GLY 26 11.432 -10.291 -1.460
173 HA2 GLY 26 HA1 GLY 26 12.976 -8.564 -2.986
174 HA3 GLY 26 HA2 GLY 26 13.498 -10.154 -2.451
175 H ALA 27 HN ALA 27 11.232 -11.393 -3.986
176 HA ALA 27 HA ALA 27 12.623 -12.097 -6.292
177 HB1 ALA 27 HB1 ALA 27 9.646 -12.201 -6.293
178 HB2 ALA 27 HB2 ALA 27 10.818 -13.403 -6.834
179 HB3 ALA 27 HB3 ALA 27 10.536 -13.160 -5.110
180 H DSN 28 HN DSN 28 10.595 -9.366 -5.648
181 HB2 DSN 28 HB2 DSN 28 9.217 -7.893 -9.155
182 HB3 DSN 28 HB1 DSN 28 9.995 -9.474 -9.207
183 HG DSN 28 HG DSN 28 7.801 -8.656 -7.619
184 H THR 29 HN THR 29 12.828 -8.254 -6.514
185 HA THR 29 HA THR 29 13.953 -6.364 -8.363
186 HB THR 29 HB THR 29 15.991 -6.554 -7.118
187 HG1 THR 29 HG1 THR 29 14.976 -8.643 -5.524
188 HG21 THR 29 HG21 THR 29 14.332 -6.908 -4.762
189 HG22 THR 29 HG22 THR 29 13.564 -5.868 -5.962
190 HG23 THR 29 HG23 THR 29 15.167 -5.469 -5.345
191 H ALA 30 HN ALA 30 13.764 -9.811 -8.112
192 HA ALA 30 HA ALA 30 15.948 -10.317 -9.932
193 HB1 ALA 30 HB1 ALA 30 13.928 -12.410 -9.337
194 HB2 ALA 30 HB2 ALA 30 15.686 -12.526 -9.436
195 HB3 ALA 30 HB3 ALA 30 14.927 -11.824 -8.007
196 H SER 31 HN SER 31 12.566 -9.699 -10.147
197 HA SER 31 HA SER 31 12.705 -9.869 -13.043
198 HB2 SER 31 HB1 SER 31 10.570 -11.377 -11.515
199 HB3 SER 31 HB2 SER 31 10.736 -11.279 -13.268
200 HG SER 31 HG SER 31 12.051 -12.897 -13.138
Start of MODEL 4
1 H1 ASP 1 HN ASP 1 1.251 -8.598 -2.474
2 HA ASP 1 HA ASP 1 3.822 -7.730 -1.962
3 HB2 ASP 1 HB1 ASP 1 4.175 -7.973 -4.457
4 HB3 ASP 1 HB2 ASP 1 3.487 -9.378 -3.648
5 H TRP 2 HN TRP 2 3.596 -5.573 -1.153
6 HA TRP 2 HA TRP 2 2.569 -3.425 -2.646
7 HB2 TRP 2 HB1 TRP 2 4.641 -3.493 -0.446
8 HB3 TRP 2 HB2 TRP 2 3.960 -2.008 -1.105
9 HD1 TRP 2 HD1 TRP 2 1.195 -1.757 -0.784
10 HE1 TRP 2 HE1 TRP 2 -0.255 -2.477 1.216
11 HE3 TRP 2 HE3 TRP 2 4.394 -5.112 1.371
12 HZ2 TRP 2 HZ2 TRP 2 -0.067 -4.234 3.418
13 HZ3 TRP 2 HZ3 TRP 2 3.683 -6.270 3.423
14 HH2 TRP 2 HH2 TRP 2 1.498 -5.838 4.424
15 H THR 3 HN THR 3 5.927 -4.532 -2.219
16 HA THR 3 HA THR 3 6.651 -3.940 -4.890
17 HB THR 3 HB THR 3 8.461 -2.186 -3.786
18 HG1 THR 3 HG1 THR 3 7.496 -1.000 -2.292
19 HG21 THR 3 HG21 THR 3 7.751 -1.355 -5.748
20 HG22 THR 3 HG22 THR 3 6.524 -0.522 -4.792
21 HG23 THR 3 HG23 THR 3 6.146 -2.061 -5.566
22 H CYS 4 HN CYS 4 8.794 -4.565 -5.388
23 HA CYS 4 HA CYS 4 9.818 -6.648 -3.785
24 HB2 CYS 4 HB1 CYS 4 11.057 -5.152 -6.103
25 HB3 CYS 4 HB2 CYS 4 11.743 -6.605 -5.383
26 H TRP 5 HN TRP 5 10.389 -3.248 -3.828
27 HA TRP 5 HA TRP 5 12.957 -3.273 -2.595
28 HB2 TRP 5 HB1 TRP 5 10.851 -1.192 -3.062
29 HB3 TRP 5 HB2 TRP 5 12.192 -0.843 -1.975
30 HD1 TRP 5 HD1 TRP 5 14.692 -0.876 -3.096
31 HE1 TRP 5 HE1 TRP 5 15.433 -0.336 -5.501
32 HE3 TRP 5 HE3 TRP 5 10.176 -1.308 -5.454
33 HZ2 TRP 5 HZ2 TRP 5 14.259 -0.120 -8.059
34 HZ3 TRP 5 HZ3 TRP 5 10.071 -0.918 -7.881
35 HH2 TRP 5 HH2 TRP 5 12.071 -0.336 -9.155
36 H SER 6 HN SER 6 9.645 -2.958 -1.380
37 HA SER 6 HA SER 6 10.308 -2.474 1.312
38 HB2 SER 6 HB1 SER 6 7.835 -3.770 0.140
39 HB3 SER 6 HB2 SER 6 7.982 -3.185 1.797
40 HG SER 6 HG SER 6 7.426 -1.318 1.038
41 H CYS 7 HN CYS 7 10.306 -5.354 -0.589
42 HA CYS 7 HA CYS 7 10.058 -7.254 1.495
43 HB2 CYS 7 HB1 CYS 7 11.142 -7.352 -1.307
44 HB3 CYS 7 HB2 CYS 7 11.297 -8.742 -0.236
45 H LEU 8 HN LEU 8 12.538 -5.105 0.701
46 HA LEU 8 HA LEU 8 14.832 -6.592 1.360
47 HB2 LEU 8 HB1 LEU 8 15.116 -4.531 0.238
48 HB3 LEU 8 HB2 LEU 8 14.207 -3.654 1.467
49 HG LEU 8 HG LEU 8 16.662 -4.976 2.419
50 HD11 LEU 8 HD11 LEU 8 17.564 -4.279 0.342
51 HD12 LEU 8 HD12 LEU 8 18.050 -3.074 1.534
52 HD13 LEU 8 HD13 LEU 8 16.728 -2.728 0.420
53 HD21 LEU 8 HD21 LEU 8 16.770 -2.389 3.181
54 HD22 LEU 8 HD22 LEU 8 15.896 -3.641 4.063
55 HD23 LEU 8 HD23 LEU 8 15.032 -2.582 2.948
56 H VAL 9 HN VAL 9 12.693 -4.577 3.345
57 HA VAL 9 HA VAL 9 14.148 -4.836 5.750
58 HB VAL 9 HB VAL 9 12.404 -3.110 5.357
59 HG11 VAL 9 HG11 VAL 9 10.345 -3.655 4.732
60 HG12 VAL 9 HG12 VAL 9 10.812 -5.357 4.750
61 HG13 VAL 9 HG13 VAL 9 10.124 -4.614 6.195
62 HG21 VAL 9 HG21 VAL 9 13.212 -4.025 7.658
63 HG22 VAL 9 HG22 VAL 9 11.831 -2.930 7.588
64 HG23 VAL 9 HG23 VAL 9 11.573 -4.665 7.770
65 H CYS 10 HN CYS 10 12.163 -7.025 4.043
66 HA CYS 10 HA CYS 10 11.184 -8.573 6.203
67 HB2 CYS 10 HB1 CYS 10 10.892 -8.575 3.429
68 HB3 CYS 10 HB2 CYS 10 11.667 -10.115 3.788
69 H ALA 11 HN ALA 11 14.253 -8.369 4.641
70 HA ALA 11 HA ALA 11 15.239 -10.943 5.333
71 HB1 ALA 11 HB1 ALA 11 16.397 -8.420 4.303
72 HB2 ALA 11 HB2 ALA 11 17.499 -9.553 5.086
73 HB3 ALA 11 HB3 ALA 11 16.544 -10.069 3.696
74 H ALA 12 HN ALA 12 14.491 -8.269 7.213
75 HA ALA 12 HA ALA 12 16.571 -8.416 9.152
76 HB1 ALA 12 HB1 ALA 12 15.421 -6.790 10.320
77 HB2 ALA 12 HB2 ALA 12 14.879 -6.505 8.666
78 HB3 ALA 12 HB3 ALA 12 13.844 -7.379 9.795
79 H CYS 13 HN CYS 13 14.073 -10.506 8.413
80 HA CYS 13 HA CYS 13 13.375 -11.366 11.051
81 HB2 CYS 13 HB1 CYS 13 12.734 -12.162 8.285
82 HB3 CYS 13 HB2 CYS 13 12.704 -13.472 9.460
83 H SER 14 HN SER 14 15.302 -11.826 12.122
84 HA SER 14 HA SER 14 16.778 -14.170 11.115
85 HB2 SER 14 HB1 SER 14 18.753 -13.353 12.161
86 HB3 SER 14 HB2 SER 14 18.043 -11.968 11.332
87 HG SER 14 HG SER 14 18.009 -11.026 13.197
88 H VAL 15 HN VAL 15 15.025 -12.778 13.757
89 HA VAL 15 HA VAL 15 15.805 -14.826 15.649
90 HB VAL 15 HB VAL 15 14.105 -13.757 17.132
91 HG11 VAL 15 HG11 VAL 15 15.458 -11.935 17.688
92 HG12 VAL 15 HG12 VAL 15 16.559 -13.054 16.882
93 HG13 VAL 15 HG13 VAL 15 15.928 -11.654 16.012
94 HG21 VAL 15 HG21 VAL 15 12.745 -12.943 15.114
95 HG22 VAL 15 HG22 VAL 15 12.890 -11.862 16.500
96 HG23 VAL 15 HG23 VAL 15 13.880 -11.594 15.065
97 H GLU 16 HN GLU 16 13.423 -14.402 13.234
98 HA GLU 16 HA GLU 16 12.150 -16.904 14.052
99 HB2 GLU 16 HB1 GLU 16 10.836 -14.256 13.867
100 HB3 GLU 16 HB2 GLU 16 9.966 -15.605 13.152
101 HG2 GLU 16 HG1 GLU 16 10.932 -15.425 15.996
102 HG3 GLU 16 HG2 GLU 16 9.269 -15.233 15.443
103 H LEU 17 HN LEU 17 10.868 -17.885 12.305
104 HA LEU 17 HA LEU 17 12.189 -17.458 9.745
105 HB2 LEU 17 HB1 LEU 17 11.646 -19.722 11.007
106 HB3 LEU 17 HB2 LEU 17 10.122 -19.558 10.138
107 HG LEU 17 HG LEU 17 11.348 -19.530 8.012
108 HD11 LEU 17 HD11 LEU 17 13.801 -20.395 8.273
109 HD12 LEU 17 HD12 LEU 17 13.695 -19.608 9.847
110 HD13 LEU 17 HD13 LEU 17 13.445 -18.670 8.375
111 HD21 LEU 17 HD21 LEU 17 12.269 -21.917 8.221
112 HD22 LEU 17 HD22 LEU 17 10.562 -21.652 8.579
113 HD23 LEU 17 HD23 LEU 17 11.723 -21.833 9.896
114 H LEU 18 HN LEU 18 9.152 -16.888 11.280
115 HA LEU 18 HA LEU 18 7.400 -16.818 9.129
116 HB2 LEU 18 HB1 LEU 18 7.523 -15.179 11.646
117 HB3 LEU 18 HB2 LEU 18 6.204 -15.034 10.486
118 HG LEU 18 HG LEU 18 6.907 -17.653 11.785
119 HD11 LEU 18 HD11 LEU 18 5.036 -17.171 13.352
120 HD12 LEU 18 HD12 LEU 18 5.049 -15.502 12.783
121 HD13 LEU 18 HD13 LEU 18 6.462 -16.164 13.605
122 HD21 LEU 18 HD21 LEU 18 5.534 -17.884 9.849
123 HD22 LEU 18 HD22 LEU 18 4.479 -16.569 10.368
124 HD23 LEU 18 HD23 LEU 18 4.500 -18.090 11.262
125 H DSG 19 HN DAS 19 9.304 -14.117 10.470
126 HB2 DSG 19 HB2 DAS 19 8.577 -10.901 8.215
127 HB3 DSG 19 HB1 DAS 19 7.663 -12.332 7.747
128 HD21 DSG 19 HD21 DAS 19 7.913 -9.793 9.920
129 HD22 DSG 19 HD22 DAS 19 6.750 -10.332 11.078
130 H LEU 20 HN LEU 20 10.906 -14.765 8.391
131 HA LEU 20 HA LEU 20 12.426 -13.894 6.228
132 HB2 LEU 20 HB1 LEU 20 12.691 -15.968 7.730
133 HB3 LEU 20 HB2 LEU 20 11.616 -16.760 6.580
134 HG LEU 20 HG LEU 20 13.445 -15.822 4.869
135 HD11 LEU 20 HD11 LEU 20 15.506 -16.672 6.621
136 HD12 LEU 20 HD12 LEU 20 14.622 -15.366 7.410
137 HD13 LEU 20 HD13 LEU 20 15.321 -15.117 5.810
138 HD21 LEU 20 HD21 LEU 20 14.232 -18.289 6.318
139 HD22 LEU 20 HD22 LEU 20 14.046 -17.999 4.588
140 HD23 LEU 20 HD23 LEU 20 12.621 -18.234 5.602
141 H VAL 21 HN VAL 21 9.165 -15.003 6.355
142 HA VAL 21 HA VAL 21 8.823 -15.912 3.722
143 HB VAL 21 HB VAL 21 6.801 -14.552 5.508
144 HG11 VAL 21 HG11 VAL 21 6.643 -15.667 2.809
145 HG12 VAL 21 HG12 VAL 21 5.428 -16.300 3.920
146 HG13 VAL 21 HG13 VAL 21 5.553 -14.562 3.647
147 HG21 VAL 21 HG21 VAL 21 6.548 -17.414 5.202
148 HG22 VAL 21 HG22 VAL 21 8.120 -16.975 5.869
149 HG23 VAL 21 HG23 VAL 21 6.642 -16.444 6.672
150 H DTH 22 HN DTH 22 9.101 -12.720 5.039
151 HB DTH 22 HB DTH 22 7.229 -11.764 1.991
152 HG21 DTH 22 HG21 DTH 22 5.785 -12.093 3.698
153 HG22 DTH 22 HG22 DTH 22 6.833 -11.262 4.847
154 HG23 DTH 22 HG23 DTH 22 5.731 -10.336 3.828
155 HG1 DTH 22 HG1 DTH 22 7.260 -9.140 3.026
156 H ALA 23 HN ALA 23 10.950 -12.799 3.214
157 HA ALA 23 HA ALA 23 12.471 -11.380 1.385
158 HB1 ALA 23 HB1 ALA 23 12.876 -13.609 2.849
159 HB2 ALA 23 HB2 ALA 23 12.735 -14.309 1.235
160 HB3 ALA 23 HB3 ALA 23 13.950 -13.071 1.557
161 H ALA 24 HN ALA 24 9.782 -13.509 0.844
162 HA ALA 24 HA ALA 24 10.160 -14.286 -1.785
163 HB1 ALA 24 HB1 ALA 24 7.410 -13.491 -1.118
164 HB2 ALA 24 HB2 ALA 24 8.042 -15.038 -1.683
165 HB3 ALA 24 HB3 ALA 24 8.171 -14.603 0.021
166 H DTH 25 HN DTH 25 9.230 -11.178 -0.498
167 HB DTH 25 HB DTH 25 8.047 -10.622 -3.974
168 HG21 DTH 25 HG21 DTH 25 6.652 -10.170 -1.367
169 HG22 DTH 25 HG22 DTH 25 5.716 -10.037 -2.856
170 HG23 DTH 25 HG23 DTH 25 6.548 -11.542 -2.469
171 HG1 DTH 25 HG1 DTH 25 7.030 -8.700 -4.411
172 H GLY 26 HN GLY 26 11.463 -10.491 -1.658
173 HA2 GLY 26 HA1 GLY 26 12.846 -8.638 -3.225
174 HA3 GLY 26 HA2 GLY 26 13.513 -10.151 -2.630
175 H ALA 27 HN ALA 27 11.261 -11.548 -4.157
176 HA ALA 27 HA ALA 27 12.731 -12.307 -6.398
177 HB1 ALA 27 HB1 ALA 27 10.868 -13.599 -5.376
178 HB2 ALA 27 HB2 ALA 27 9.735 -12.469 -6.119
179 HB3 ALA 27 HB3 ALA 27 10.770 -13.474 -7.133
180 H DSN 28 HN DSN 28 10.653 -9.591 -5.901
181 HB2 DSN 28 HB2 DSN 28 10.112 -9.781 -9.513
182 HB3 DSN 28 HB1 DSN 28 8.770 -9.625 -8.381
183 HG DSN 28 HG DSN 28 9.191 -8.210 -10.546
184 H THR 29 HN THR 29 12.875 -8.430 -6.771
185 HA THR 29 HA THR 29 13.996 -6.656 -8.735
186 HB THR 29 HB THR 29 15.991 -6.670 -7.433
187 HG1 THR 29 HG1 THR 29 14.972 -9.117 -6.479
188 HG21 THR 29 HG21 THR 29 14.064 -7.038 -5.206
189 HG22 THR 29 HG22 THR 29 13.670 -5.824 -6.424
190 HG23 THR 29 HG23 THR 29 15.184 -5.716 -5.527
191 H ALA 30 HN ALA 30 13.881 -10.078 -8.227
192 HA ALA 30 HA ALA 30 16.104 -10.648 -9.990
193 HB1 ALA 30 HB1 ALA 30 15.503 -12.063 -8.008
194 HB2 ALA 30 HB2 ALA 30 14.081 -12.596 -8.905
195 HB3 ALA 30 HB3 ALA 30 15.695 -12.945 -9.523
196 H SER 31 HN SER 31 12.629 -10.426 -10.172
197 HA SER 31 HA SER 31 12.485 -11.698 -12.766
198 HB2 SER 31 HB1 SER 31 10.669 -11.667 -10.892
199 HB3 SER 31 HB2 SER 31 10.254 -10.089 -11.560
200 HG SER 31 HG SER 31 10.251 -12.590 -12.896
Start of MODEL 5
1 H1 ASP 1 HN ASP 1 -0.940 -0.373 -2.698
2 HA ASP 1 HA ASP 1 1.593 0.356 -1.738
3 HB2 ASP 1 HB1 ASP 1 -0.640 0.521 -0.528
4 HB3 ASP 1 HB2 ASP 1 -0.461 -1.193 -0.162
5 H TRP 2 HN TRP 2 2.868 -1.176 -3.071
6 HA TRP 2 HA TRP 2 3.930 -3.241 -1.485
7 HB2 TRP 2 HB1 TRP 2 3.288 -5.202 -2.834
8 HB3 TRP 2 HB2 TRP 2 1.889 -4.445 -2.078
9 HD1 TRP 2 HD1 TRP 2 3.637 -4.561 -5.534
10 HE1 TRP 2 HE1 TRP 2 1.837 -4.239 -7.345
11 HE3 TRP 2 HE3 TRP 2 -0.404 -3.717 -2.519
12 HZ2 TRP 2 HZ2 TRP 2 -0.930 -3.697 -7.478
13 HZ3 TRP 2 HZ3 TRP 2 -2.592 -3.304 -3.567
14 HH2 TRP 2 HH2 TRP 2 -2.847 -3.294 -5.996
15 H THR 3 HN THR 3 5.824 -4.127 -2.362
16 HA THR 3 HA THR 3 6.619 -3.798 -5.059
17 HB THR 3 HB THR 3 6.770 -1.431 -4.454
18 HG1 THR 3 HG1 THR 3 8.326 -2.155 -5.909
19 HG21 THR 3 HG21 THR 3 7.702 -2.421 -1.994
20 HG22 THR 3 HG22 THR 3 7.506 -0.734 -2.469
21 HG23 THR 3 HG23 THR 3 9.053 -1.546 -2.712
22 H CYS 4 HN CYS 4 8.741 -4.614 -5.474
23 HA CYS 4 HA CYS 4 9.497 -6.735 -3.774
24 HB2 CYS 4 HB1 CYS 4 10.844 -5.446 -6.145
25 HB3 CYS 4 HB2 CYS 4 11.540 -6.824 -5.299
26 H TRP 5 HN TRP 5 10.404 -3.411 -3.895
27 HA TRP 5 HA TRP 5 12.912 -3.641 -2.570
28 HB2 TRP 5 HB1 TRP 5 11.055 -1.418 -3.266
29 HB3 TRP 5 HB2 TRP 5 12.250 -1.121 -2.007
30 HD1 TRP 5 HD1 TRP 5 14.760 -0.837 -2.745
31 HE1 TRP 5 HE1 TRP 5 15.911 -0.613 -5.036
32 HE3 TRP 5 HE3 TRP 5 10.876 -2.265 -5.747
33 HZ2 TRP 5 HZ2 TRP 5 15.258 -0.990 -7.756
34 HZ3 TRP 5 HZ3 TRP 5 11.222 -2.305 -8.183
35 HH2 TRP 5 HH2 TRP 5 13.368 -1.680 -9.165
36 H SER 6 HN SER 6 9.591 -3.231 -1.498
37 HA SER 6 HA SER 6 10.133 -2.587 1.192
38 HB2 SER 6 HB1 SER 6 7.931 -2.159 0.617
39 HB3 SER 6 HB2 SER 6 7.764 -3.664 -0.288
40 HG SER 6 HG SER 6 6.870 -4.405 1.455
41 H CYS 7 HN CYS 7 10.236 -5.565 -0.554
42 HA CYS 7 HA CYS 7 9.947 -7.338 1.645
43 HB2 CYS 7 HB1 CYS 7 11.010 -7.599 -1.149
44 HB3 CYS 7 HB2 CYS 7 11.224 -8.915 0.001
45 H LEU 8 HN LEU 8 12.410 -5.218 0.780
46 HA LEU 8 HA LEU 8 14.723 -6.641 1.485
47 HB2 LEU 8 HB1 LEU 8 15.022 -4.612 0.346
48 HB3 LEU 8 HB2 LEU 8 14.020 -3.725 1.492
49 HG LEU 8 HG LEU 8 16.486 -4.922 2.590
50 HD11 LEU 8 HD11 LEU 8 17.297 -4.153 0.427
51 HD12 LEU 8 HD12 LEU 8 17.898 -3.125 1.727
52 HD13 LEU 8 HD13 LEU 8 16.572 -2.569 0.706
53 HD21 LEU 8 HD21 LEU 8 15.528 -3.622 4.175
54 HD22 LEU 8 HD22 LEU 8 14.737 -2.574 2.997
55 HD23 LEU 8 HD23 LEU 8 16.450 -2.357 3.363
56 H VAL 9 HN VAL 9 12.499 -4.690 3.430
57 HA VAL 9 HA VAL 9 13.953 -4.838 5.845
58 HB VAL 9 HB VAL 9 12.143 -3.202 5.443
59 HG11 VAL 9 HG11 VAL 9 10.128 -3.830 4.756
60 HG12 VAL 9 HG12 VAL 9 10.661 -5.512 4.789
61 HG13 VAL 9 HG13 VAL 9 9.905 -4.798 6.213
62 HG21 VAL 9 HG21 VAL 9 11.357 -3.143 7.666
63 HG22 VAL 9 HG22 VAL 9 11.462 -4.895 7.834
64 HG23 VAL 9 HG23 VAL 9 12.934 -3.928 7.744
65 H CYS 10 HN CYS 10 12.042 -7.135 4.173
66 HA CYS 10 HA CYS 10 11.169 -8.702 6.365
67 HB2 CYS 10 HB1 CYS 10 10.824 -8.742 3.599
68 HB3 CYS 10 HB2 CYS 10 11.673 -10.243 3.953
69 H ALA 11 HN ALA 11 14.196 -8.391 4.737
70 HA ALA 11 HA ALA 11 15.301 -10.913 5.438
71 HB1 ALA 11 HB1 ALA 11 16.514 -9.989 3.750
72 HB2 ALA 11 HB2 ALA 11 16.352 -8.349 4.379
73 HB3 ALA 11 HB3 ALA 11 17.500 -9.467 5.116
74 H ALA 12 HN ALA 12 14.484 -8.246 7.301
75 HA ALA 12 HA ALA 12 16.608 -8.287 9.199
76 HB1 ALA 12 HB1 ALA 12 15.461 -6.652 10.317
77 HB2 ALA 12 HB2 ALA 12 14.764 -6.479 8.705
78 HB3 ALA 12 HB3 ALA 12 13.884 -7.356 9.956
79 H CYS 13 HN CYS 13 14.179 -10.481 8.537
80 HA CYS 13 HA CYS 13 13.569 -11.332 11.200
81 HB2 CYS 13 HB1 CYS 13 12.880 -12.160 8.463
82 HB3 CYS 13 HB2 CYS 13 12.967 -13.485 9.620
83 H SER 14 HN SER 14 15.634 -11.609 12.148
84 HA SER 14 HA SER 14 17.144 -13.939 11.168
85 HB2 SER 14 HB1 SER 14 19.090 -13.027 12.304
86 HB3 SER 14 HB2 SER 14 18.401 -11.792 11.250
87 HG SER 14 HG SER 14 18.925 -11.002 13.354
88 H VAL 15 HN VAL 15 15.429 -12.571 13.855
89 HA VAL 15 HA VAL 15 16.338 -14.570 15.740
90 HB VAL 15 HB VAL 15 14.076 -12.596 16.063
91 HG11 VAL 15 HG11 VAL 15 13.969 -14.379 17.674
92 HG12 VAL 15 HG12 VAL 15 15.684 -14.198 18.048
93 HG13 VAL 15 HG13 VAL 15 14.548 -12.920 18.478
94 HG21 VAL 15 HG21 VAL 15 15.624 -10.998 16.068
95 HG22 VAL 15 HG22 VAL 15 16.271 -11.724 17.539
96 HG23 VAL 15 HG23 VAL 15 16.932 -12.177 15.968
97 H GLU 16 HN GLU 16 13.866 -14.261 13.400
98 HA GLU 16 HA GLU 16 12.711 -16.797 14.287
99 HB2 GLU 16 HB1 GLU 16 11.377 -14.625 14.991
100 HB3 GLU 16 HB2 GLU 16 10.826 -14.691 13.323
101 HG2 GLU 16 HG1 GLU 16 9.192 -15.839 14.506
102 HG3 GLU 16 HG2 GLU 16 10.193 -17.114 13.814
103 H LEU 17 HN LEU 17 11.523 -17.914 12.608
104 HA LEU 17 HA LEU 17 12.697 -17.430 9.995
105 HB2 LEU 17 HB1 LEU 17 12.355 -19.703 11.293
106 HB3 LEU 17 HB2 LEU 17 10.776 -19.644 10.512
107 HG LEU 17 HG LEU 17 11.974 -19.469 8.313
108 HD11 LEU 17 HD11 LEU 17 14.328 -19.879 10.122
109 HD12 LEU 17 HD12 LEU 17 14.111 -18.699 8.830
110 HD13 LEU 17 HD13 LEU 17 14.360 -20.400 8.437
111 HD21 LEU 17 HD21 LEU 17 11.906 -21.713 8.090
112 HD22 LEU 17 HD22 LEU 17 11.215 -21.639 9.711
113 HD23 LEU 17 HD23 LEU 17 12.930 -21.994 9.498
114 H LEU 18 HN LEU 18 9.695 -16.994 11.627
115 HA LEU 18 HA LEU 18 7.860 -17.074 9.547
116 HB2 LEU 18 HB1 LEU 18 8.031 -15.630 12.136
117 HB3 LEU 18 HB2 LEU 18 6.803 -15.110 10.983
118 HG LEU 18 HG LEU 18 5.976 -16.703 12.700
119 HD11 LEU 18 HD11 LEU 18 5.660 -16.851 9.840
120 HD12 LEU 18 HD12 LEU 18 4.456 -17.028 11.116
121 HD13 LEU 18 HD13 LEU 18 5.393 -18.426 10.588
122 HD21 LEU 18 HD21 LEU 18 7.454 -18.870 11.263
123 HD22 LEU 18 HD22 LEU 18 6.710 -18.891 12.862
124 HD23 LEU 18 HD23 LEU 18 8.216 -18.009 12.601
125 H DSG 19 HN DAS 19 9.648 -14.234 10.755
126 HB2 DSG 19 HB2 DAS 19 8.654 -11.098 8.543
127 HB3 DSG 19 HB1 DAS 19 7.881 -12.569 7.960
128 HD21 DSG 19 HD21 DAS 19 5.887 -12.396 8.756
129 HD22 DSG 19 HD22 DAS 19 5.500 -12.234 10.433
130 H LEU 20 HN LEU 20 11.190 -14.866 8.637
131 HA LEU 20 HA LEU 20 12.628 -13.968 6.430
132 HB2 LEU 20 HB1 LEU 20 12.902 -16.059 7.987
133 HB3 LEU 20 HB2 LEU 20 11.975 -16.864 6.722
134 HG LEU 20 HG LEU 20 13.766 -16.008 5.110
135 HD11 LEU 20 HD11 LEU 20 15.761 -15.195 5.887
136 HD12 LEU 20 HD12 LEU 20 15.561 -15.914 7.484
137 HD13 LEU 20 HD13 LEU 20 14.645 -14.473 7.046
138 HD21 LEU 20 HD21 LEU 20 15.243 -17.853 6.763
139 HD22 LEU 20 HD22 LEU 20 14.500 -18.104 5.183
140 HD23 LEU 20 HD23 LEU 20 13.545 -18.319 6.651
141 H VAL 21 HN VAL 21 9.416 -15.201 6.641
142 HA VAL 21 HA VAL 21 9.057 -16.164 4.030
143 HB VAL 21 HB VAL 21 7.021 -14.854 5.839
144 HG11 VAL 21 HG11 VAL 21 5.476 -16.394 4.450
145 HG12 VAL 21 HG12 VAL 21 6.006 -14.863 3.750
146 HG13 VAL 21 HG13 VAL 21 6.785 -16.370 3.268
147 HG21 VAL 21 HG21 VAL 21 8.266 -16.878 6.718
148 HG22 VAL 21 HG22 VAL 21 6.508 -17.008 6.664
149 HG23 VAL 21 HG23 VAL 21 7.490 -17.797 5.429
150 H DTH 22 HN DTH 22 9.216 -12.940 5.299
151 HB DTH 22 HB DTH 22 7.270 -12.112 2.258
152 HG21 DTH 22 HG21 DTH 22 6.274 -12.615 4.373
153 HG22 DTH 22 HG22 DTH 22 6.723 -11.042 5.031
154 HG23 DTH 22 HG23 DTH 22 5.476 -11.156 3.789
155 HG1 DTH 22 HG1 DTH 22 6.549 -9.915 2.182
156 H ALA 23 HN ALA 23 11.015 -13.011 3.423
157 HA ALA 23 HA ALA 23 12.478 -11.547 1.580
158 HB1 ALA 23 HB1 ALA 23 13.524 -13.265 2.883
159 HB2 ALA 23 HB2 ALA 23 12.524 -14.509 2.133
160 HB3 ALA 23 HB3 ALA 23 13.734 -13.655 1.176
161 H ALA 24 HN ALA 24 9.831 -13.732 1.072
162 HA ALA 24 HA ALA 24 10.193 -14.510 -1.559
163 HB1 ALA 24 HB1 ALA 24 7.877 -14.962 -1.641
164 HB2 ALA 24 HB2 ALA 24 8.363 -15.218 0.036
165 HB3 ALA 24 HB3 ALA 24 7.519 -13.739 -0.422
166 H DTH 25 HN DTH 25 9.234 -11.413 -0.271
167 HB DTH 25 HB DTH 25 7.990 -10.878 -3.735
168 HG21 DTH 25 HG21 DTH 25 6.703 -11.811 -1.921
169 HG22 DTH 25 HG22 DTH 25 6.448 -10.215 -1.216
170 HG23 DTH 25 HG23 DTH 25 5.683 -10.636 -2.748
171 HG1 DTH 25 HG1 DTH 25 8.195 -8.621 -3.942
172 H GLY 26 HN GLY 26 11.441 -10.657 -1.448
173 HA2 GLY 26 HA1 GLY 26 12.754 -8.805 -3.075
174 HA3 GLY 26 HA2 GLY 26 13.471 -10.282 -2.449
175 H ALA 27 HN ALA 27 11.237 -11.776 -3.917
176 HA ALA 27 HA ALA 27 12.705 -12.561 -6.149
177 HB1 ALA 27 HB1 ALA 27 10.795 -13.815 -6.819
178 HB2 ALA 27 HB2 ALA 27 10.845 -13.835 -5.056
179 HB3 ALA 27 HB3 ALA 27 9.712 -12.774 -5.893
180 H DSN 28 HN DSN 28 10.571 -9.878 -5.710
181 HB2 DSN 28 HB2 DSN 28 8.970 -8.644 -9.134
182 HB3 DSN 28 HB1 DSN 28 9.960 -10.087 -9.355
183 HG DSN 28 HG DSN 28 7.718 -10.408 -8.622
184 H THR 29 HN THR 29 12.782 -8.684 -6.669
185 HA THR 29 HA THR 29 13.837 -7.028 -8.772
186 HB THR 29 HB THR 29 15.861 -6.930 -7.511
187 HG1 THR 29 HG1 THR 29 16.421 -8.423 -6.024
188 HG21 THR 29 HG21 THR 29 15.100 -5.926 -5.569
189 HG22 THR 29 HG22 THR 29 13.845 -7.138 -5.311
190 HG23 THR 29 HG23 THR 29 13.647 -5.916 -6.567
191 H ALA 30 HN ALA 30 13.785 -10.406 -8.020
192 HA ALA 30 HA ALA 30 15.991 -11.075 -9.764
193 HB1 ALA 30 HB1 ALA 30 15.630 -12.429 -7.797
194 HB2 ALA 30 HB2 ALA 30 13.995 -12.821 -8.330
195 HB3 ALA 30 HB3 ALA 30 15.385 -13.410 -9.243
196 H SER 31 HN SER 31 12.537 -11.984 -9.744
197 HA SER 31 HA SER 31 12.647 -12.666 -12.548
198 HB2 SER 31 HB1 SER 31 11.273 -13.905 -10.804
199 HB3 SER 31 HB2 SER 31 10.178 -12.522 -10.813
200 HG SER 31 HG SER 31 9.355 -13.243 -12.598
Start of MODEL 6
1 H1 ASP 1 HN ASP 1 -0.731 -1.506 -1.443
2 HA ASP 1 HA ASP 1 1.870 -0.381 -0.648
3 HB2 ASP 1 HB1 ASP 1 -0.205 -0.256 0.898
4 HB3 ASP 1 HB2 ASP 1 0.081 -1.972 1.171
5 H TRP 2 HN TRP 2 2.858 -1.839 -2.234
6 HA TRP 2 HA TRP 2 3.926 -4.139 -1.009
7 HB2 TRP 2 HB1 TRP 2 2.990 -5.879 -2.483
8 HB3 TRP 2 HB2 TRP 2 1.744 -5.125 -1.491
9 HD1 TRP 2 HD1 TRP 2 -0.159 -3.775 -2.728
10 HE1 TRP 2 HE1 TRP 2 -0.848 -3.579 -5.200
11 HE3 TRP 2 HE3 TRP 2 3.992 -5.829 -4.892
12 HZ2 TRP 2 HZ2 TRP 2 0.226 -4.212 -7.733
13 HZ3 TRP 2 HZ3 TRP 2 4.082 -5.998 -7.345
14 HH2 TRP 2 HH2 TRP 2 2.237 -5.206 -8.734
15 H THR 3 HN THR 3 5.814 -4.669 -1.962
16 HA THR 3 HA THR 3 6.352 -4.434 -4.730
17 HB THR 3 HB THR 3 6.349 -2.046 -4.351
18 HG1 THR 3 HG1 THR 3 7.978 -2.173 -5.698
19 HG21 THR 3 HG21 THR 3 8.590 -1.636 -2.681
20 HG22 THR 3 HG22 THR 3 7.530 -2.774 -1.848
21 HG23 THR 3 HG23 THR 3 6.909 -1.207 -2.366
22 H CYS 4 HN CYS 4 8.646 -4.851 -5.239
23 HA CYS 4 HA CYS 4 9.685 -6.917 -3.612
24 HB2 CYS 4 HB1 CYS 4 10.977 -5.394 -5.885
25 HB3 CYS 4 HB2 CYS 4 11.611 -6.876 -5.176
26 H TRP 5 HN TRP 5 10.183 -3.501 -3.682
27 HA TRP 5 HA TRP 5 12.717 -3.452 -2.390
28 HB2 TRP 5 HB1 TRP 5 10.604 -1.460 -3.039
29 HB3 TRP 5 HB2 TRP 5 11.748 -1.040 -1.768
30 HD1 TRP 5 HD1 TRP 5 14.192 -0.402 -2.488
31 HE1 TRP 5 HE1 TRP 5 15.319 -0.006 -4.768
32 HE3 TRP 5 HE3 TRP 5 10.560 -2.319 -5.533
33 HZ2 TRP 5 HZ2 TRP 5 14.744 -0.446 -7.496
34 HZ3 TRP 5 HZ3 TRP 5 10.926 -2.293 -7.966
35 HH2 TRP 5 HH2 TRP 5 12.975 -1.375 -8.925
36 H SER 6 HN SER 6 9.375 -3.241 -1.246
37 HA SER 6 HA SER 6 9.971 -2.716 1.457
38 HB2 SER 6 HB1 SER 6 7.738 -2.336 0.594
39 HB3 SER 6 HB2 SER 6 7.559 -4.046 0.201
40 HG SER 6 HG SER 6 6.882 -4.321 2.158
41 H CYS 7 HN CYS 7 10.092 -5.602 -0.429
42 HA CYS 7 HA CYS 7 9.863 -7.488 1.680
43 HB2 CYS 7 HB1 CYS 7 10.945 -7.602 -1.123
44 HB3 CYS 7 HB2 CYS 7 11.116 -8.977 -0.036
45 H LEU 8 HN LEU 8 12.279 -5.282 0.895
46 HA LEU 8 HA LEU 8 14.627 -6.686 1.498
47 HB2 LEU 8 HB1 LEU 8 14.813 -4.566 0.469
48 HB3 LEU 8 HB2 LEU 8 13.879 -3.786 1.744
49 HG LEU 8 HG LEU 8 16.416 -5.047 2.581
50 HD11 LEU 8 HD11 LEU 8 17.597 -2.893 1.839
51 HD12 LEU 8 HD12 LEU 8 16.281 -2.737 0.676
52 HD13 LEU 8 HD13 LEU 8 17.331 -4.153 0.634
53 HD21 LEU 8 HD21 LEU 8 15.563 -3.903 4.332
54 HD22 LEU 8 HD22 LEU 8 14.675 -2.775 3.307
55 HD23 LEU 8 HD23 LEU 8 16.405 -2.553 3.571
56 H VAL 9 HN VAL 9 12.457 -4.810 3.590
57 HA VAL 9 HA VAL 9 13.938 -5.159 5.967
58 HB VAL 9 HB VAL 9 12.171 -3.440 5.674
59 HG11 VAL 9 HG11 VAL 9 9.943 -5.110 6.438
60 HG12 VAL 9 HG12 VAL 9 10.075 -3.944 5.121
61 HG13 VAL 9 HG13 VAL 9 10.612 -5.607 4.884
62 HG21 VAL 9 HG21 VAL 9 12.937 -4.702 7.937
63 HG22 VAL 9 HG22 VAL 9 11.852 -3.312 7.903
64 HG23 VAL 9 HG23 VAL 9 11.192 -4.944 8.008
65 H CYS 10 HN CYS 10 11.929 -7.282 4.189
66 HA CYS 10 HA CYS 10 11.017 -8.944 6.293
67 HB2 CYS 10 HB1 CYS 10 10.683 -8.817 3.516
68 HB3 CYS 10 HB2 CYS 10 11.437 -10.381 3.812
69 H ALA 11 HN ALA 11 13.981 -8.806 4.444
70 HA ALA 11 HA ALA 11 14.979 -11.358 5.196
71 HB1 ALA 11 HB1 ALA 11 15.965 -9.016 3.753
72 HB2 ALA 11 HB2 ALA 11 17.212 -9.876 4.657
73 HB3 ALA 11 HB3 ALA 11 16.243 -10.733 3.459
74 H ALA 12 HN ALA 12 14.496 -8.550 6.962
75 HA ALA 12 HA ALA 12 16.771 -8.625 8.672
76 HB1 ALA 12 HB1 ALA 12 15.256 -6.648 8.304
77 HB2 ALA 12 HB2 ALA 12 14.080 -7.456 9.342
78 HB3 ALA 12 HB3 ALA 12 15.656 -6.997 9.987
79 H CYS 13 HN CYS 13 14.156 -10.687 8.352
80 HA CYS 13 HA CYS 13 13.765 -11.370 11.104
81 HB2 CYS 13 HB1 CYS 13 12.936 -12.619 8.495
82 HB3 CYS 13 HB2 CYS 13 12.648 -13.436 10.028
83 H SER 14 HN SER 14 15.663 -11.955 12.072
84 HA SER 14 HA SER 14 17.039 -14.309 10.952
85 HB2 SER 14 HB1 SER 14 18.984 -13.452 12.433
86 HB3 SER 14 HB2 SER 14 18.646 -12.598 10.928
87 HG SER 14 HG SER 14 18.762 -11.556 13.305
88 H VAL 15 HN VAL 15 15.436 -12.930 13.681
89 HA VAL 15 HA VAL 15 16.319 -14.982 15.527
90 HB VAL 15 HB VAL 15 14.737 -13.912 17.115
91 HG11 VAL 15 HG11 VAL 15 16.993 -13.146 17.136
92 HG12 VAL 15 HG12 VAL 15 16.728 -12.142 15.709
93 HG13 VAL 15 HG13 VAL 15 15.955 -11.724 17.238
94 HG21 VAL 15 HG21 VAL 15 14.304 -11.818 15.000
95 HG22 VAL 15 HG22 VAL 15 13.174 -13.145 15.271
96 HG23 VAL 15 HG23 VAL 15 13.494 -11.983 16.558
97 H GLU 16 HN GLU 16 13.813 -14.543 13.246
98 HA GLU 16 HA GLU 16 12.574 -17.041 14.128
99 HB2 GLU 16 HB1 GLU 16 10.308 -16.082 13.730
100 HB3 GLU 16 HB2 GLU 16 11.141 -15.377 15.108
101 HG2 GLU 16 HG1 GLU 16 11.674 -13.406 13.856
102 HG3 GLU 16 HG2 GLU 16 11.038 -14.123 12.376
103 H LEU 17 HN LEU 17 10.944 -17.798 12.415
104 HA LEU 17 HA LEU 17 12.232 -17.491 9.805
105 HB2 LEU 17 HB1 LEU 17 10.475 -19.584 11.029
106 HB3 LEU 17 HB2 LEU 17 10.685 -19.496 9.281
107 HG LEU 17 HG LEU 17 13.195 -19.669 9.758
108 HD11 LEU 17 HD11 LEU 17 12.035 -20.206 12.451
109 HD12 LEU 17 HD12 LEU 17 13.493 -19.319 12.007
110 HD13 LEU 17 HD13 LEU 17 13.478 -21.081 11.938
111 HD21 LEU 17 HD21 LEU 17 13.119 -22.018 9.638
112 HD22 LEU 17 HD22 LEU 17 11.630 -21.463 8.871
113 HD23 LEU 17 HD23 LEU 17 11.592 -22.095 10.518
114 H LEU 18 HN LEU 18 9.448 -16.544 11.502
115 HA LEU 18 HA LEU 18 7.499 -16.462 9.508
116 HB2 LEU 18 HB1 LEU 18 8.007 -14.901 11.997
117 HB3 LEU 18 HB2 LEU 18 6.749 -14.360 10.887
118 HG LEU 18 HG LEU 18 5.802 -15.683 12.689
119 HD11 LEU 18 HD11 LEU 18 5.568 -17.608 10.474
120 HD12 LEU 18 HD12 LEU 18 5.219 -15.927 10.070
121 HD13 LEU 18 HD13 LEU 18 4.319 -16.729 11.357
122 HD21 LEU 18 HD21 LEU 18 6.359 -17.999 13.023
123 HD22 LEU 18 HD22 LEU 18 7.830 -17.033 13.144
124 HD23 LEU 18 HD23 LEU 18 7.500 -17.960 11.679
125 H DSG 19 HN DAS 19 9.847 -13.962 10.463
126 HB2 DSG 19 HB2 DAS 19 9.166 -10.822 8.033
127 HB3 DSG 19 HB1 DAS 19 8.129 -12.212 7.725
128 HD21 DSG 19 HD21 DAS 19 9.028 -9.750 9.974
129 HD22 DSG 19 HD22 DAS 19 7.754 -10.027 11.108
130 H LEU 20 HN LEU 20 11.361 -14.740 8.449
131 HA LEU 20 HA LEU 20 12.761 -14.156 6.132
132 HB2 LEU 20 HB1 LEU 20 12.110 -16.574 7.662
133 HB3 LEU 20 HB2 LEU 20 12.489 -16.859 5.964
134 HG LEU 20 HG LEU 20 14.319 -15.304 7.773
135 HD11 LEU 20 HD11 LEU 20 13.953 -18.245 7.504
136 HD12 LEU 20 HD12 LEU 20 14.376 -17.282 8.920
137 HD13 LEU 20 HD13 LEU 20 15.587 -17.603 7.678
138 HD21 LEU 20 HD21 LEU 20 14.898 -14.937 5.542
139 HD22 LEU 20 HD22 LEU 20 14.538 -16.600 5.076
140 HD23 LEU 20 HD23 LEU 20 15.967 -16.246 6.049
141 H VAL 21 HN VAL 21 9.483 -15.218 6.527
142 HA VAL 21 HA VAL 21 8.997 -16.260 3.965
143 HB VAL 21 HB VAL 21 7.044 -14.805 5.752
144 HG11 VAL 21 HG11 VAL 21 6.790 -16.284 3.217
145 HG12 VAL 21 HG12 VAL 21 5.596 -16.673 4.457
146 HG13 VAL 21 HG13 VAL 21 5.778 -15.010 3.896
147 HG21 VAL 21 HG21 VAL 21 8.392 -17.323 6.068
148 HG22 VAL 21 HG22 VAL 21 7.277 -16.507 7.164
149 HG23 VAL 21 HG23 VAL 21 6.654 -17.574 5.906
150 H DTH 22 HN DTH 22 8.986 -12.968 5.199
151 HB DTH 22 HB DTH 22 7.145 -12.246 2.092
152 HG21 DTH 22 HG21 DTH 22 5.333 -11.243 3.618
153 HG22 DTH 22 HG22 DTH 22 6.088 -12.744 4.154
154 HG23 DTH 22 HG23 DTH 22 6.578 -11.207 4.866
155 HG1 DTH 22 HG1 DTH 22 7.017 -9.598 3.063
156 H ALA 23 HN ALA 23 10.846 -13.129 3.285
157 HA ALA 23 HA ALA 23 12.365 -11.698 1.473
158 HB1 ALA 23 HB1 ALA 23 13.779 -13.526 1.368
159 HB2 ALA 23 HB2 ALA 23 12.951 -13.779 2.905
160 HB3 ALA 23 HB3 ALA 23 12.456 -14.687 1.477
161 H ALA 24 HN ALA 24 9.672 -13.820 0.894
162 HA ALA 24 HA ALA 24 10.035 -14.525 -1.756
163 HB1 ALA 24 HB1 ALA 24 8.073 -14.932 0.036
164 HB2 ALA 24 HB2 ALA 24 7.291 -13.745 -1.009
165 HB3 ALA 24 HB3 ALA 24 7.900 -15.254 -1.690
166 H DTH 25 HN DTH 25 9.111 -11.452 -0.385
167 HB DTH 25 HB DTH 25 7.877 -10.841 -3.810
168 HG21 DTH 25 HG21 DTH 25 5.569 -10.279 -2.742
169 HG22 DTH 25 HG22 DTH 25 6.431 -11.711 -2.181
170 HG23 DTH 25 HG23 DTH 25 6.467 -10.230 -1.225
171 HG1 DTH 25 HG1 DTH 25 6.990 -8.901 -4.306
172 H GLY 26 HN GLY 26 11.344 -10.650 -1.500
173 HA2 GLY 26 HA1 GLY 26 12.688 -8.789 -3.083
174 HA3 GLY 26 HA2 GLY 26 13.384 -10.288 -2.485
175 H ALA 27 HN ALA 27 11.182 -11.757 -3.990
176 HA ALA 27 HA ALA 27 12.656 -12.475 -6.241
177 HB1 ALA 27 HB1 ALA 27 9.756 -12.815 -5.543
178 HB2 ALA 27 HB2 ALA 27 10.434 -13.435 -7.049
179 HB3 ALA 27 HB3 ALA 27 11.050 -14.012 -5.501
180 H DSN 28 HN DSN 28 10.490 -9.828 -5.739
181 HB2 DSN 28 HB2 DSN 28 8.886 -8.502 -9.143
182 HB3 DSN 28 HB1 DSN 28 9.673 -10.077 -9.243
183 HG DSN 28 HG DSN 28 7.901 -10.728 -8.309
184 H THR 29 HN THR 29 12.739 -8.635 -6.812
185 HA THR 29 HA THR 29 13.725 -7.059 -9.005
186 HB THR 29 HB THR 29 15.831 -7.027 -7.866
187 HG1 THR 29 HG1 THR 29 16.373 -8.477 -6.309
188 HG21 THR 29 HG21 THR 29 14.007 -7.066 -5.514
189 HG22 THR 29 HG22 THR 29 13.652 -5.939 -6.824
190 HG23 THR 29 HG23 THR 29 15.206 -5.866 -5.993
191 H ALA 30 HN ALA 30 13.938 -10.418 -7.977
192 HA ALA 30 HA ALA 30 15.815 -11.104 -10.069
193 HB1 ALA 30 HB1 ALA 30 16.150 -12.366 -8.143
194 HB2 ALA 30 HB2 ALA 30 14.424 -12.654 -7.916
195 HB3 ALA 30 HB3 ALA 30 15.292 -13.473 -9.215
196 H SER 31 HN SER 31 14.068 -10.083 -11.581
197 HA SER 31 HA SER 31 12.760 -12.308 -12.901
198 HB2 SER 31 HB1 SER 31 10.578 -11.130 -13.049
199 HB3 SER 31 HB2 SER 31 10.997 -11.566 -11.393
200 HG SER 31 HG SER 31 11.083 -9.525 -10.887
Start of MODEL 7
1 H1 ASP 1 HN ASP 1 1.427 -6.362 -1.189
2 HA ASP 1 HA ASP 1 3.804 -5.979 0.388
3 HB2 ASP 1 HB1 ASP 1 5.389 -6.983 -1.069
4 HB3 ASP 1 HB2 ASP 1 4.141 -8.197 -0.805
5 H TRP 2 HN TRP 2 4.587 -4.003 0.024
6 HA TRP 2 HA TRP 2 3.327 -2.197 -1.700
7 HB2 TRP 2 HB1 TRP 2 5.929 -2.120 -0.194
8 HB3 TRP 2 HB2 TRP 2 5.449 -0.790 -1.244
9 HD1 TRP 2 HD1 TRP 2 2.408 -0.534 -0.538
10 HE1 TRP 2 HE1 TRP 2 1.675 0.278 1.792
11 HE3 TRP 2 HE3 TRP 2 6.667 -1.616 2.076
12 HZ2 TRP 2 HZ2 TRP 2 2.759 0.439 4.393
13 HZ3 TRP 2 HZ3 TRP 2 6.737 -1.102 4.481
14 HH2 TRP 2 HH2 TRP 2 4.823 -0.095 5.614
15 H THR 3 HN THR 3 6.359 -3.991 -2.056
16 HA THR 3 HA THR 3 6.160 -4.044 -4.887
17 HB THR 3 HB THR 3 8.614 -2.779 -4.819
18 HG1 THR 3 HG1 THR 3 6.846 -1.056 -3.439
19 HG21 THR 3 HG21 THR 3 5.959 -2.310 -5.893
20 HG22 THR 3 HG22 THR 3 7.538 -2.015 -6.623
21 HG23 THR 3 HG23 THR 3 6.814 -0.802 -5.567
22 H CYS 4 HN CYS 4 8.464 -4.721 -5.813
23 HA CYS 4 HA CYS 4 9.100 -7.179 -4.579
24 HB2 CYS 4 HB1 CYS 4 10.184 -5.609 -6.874
25 HB3 CYS 4 HB2 CYS 4 11.158 -6.929 -6.236
26 H TRP 5 HN TRP 5 10.757 -4.053 -4.659
27 HA TRP 5 HA TRP 5 13.043 -4.932 -3.212
28 HB2 TRP 5 HB1 TRP 5 13.465 -2.472 -2.915
29 HB3 TRP 5 HB2 TRP 5 13.243 -2.977 -4.588
30 HD1 TRP 5 HD1 TRP 5 11.244 -1.265 -1.749
31 HE1 TRP 5 HE1 TRP 5 9.511 0.301 -2.830
32 HE3 TRP 5 HE3 TRP 5 12.052 -2.425 -6.662
33 HZ2 TRP 5 HZ2 TRP 5 8.606 0.958 -5.422
34 HZ3 TRP 5 HZ3 TRP 5 10.711 -1.284 -8.380
35 HH2 TRP 5 HH2 TRP 5 9.023 0.372 -7.770
36 H SER 6 HN SER 6 9.898 -3.743 -2.310
37 HA SER 6 HA SER 6 10.440 -2.952 0.328
38 HB2 SER 6 HB1 SER 6 8.151 -2.776 0.592
39 HB3 SER 6 HB2 SER 6 8.269 -2.743 -1.168
40 HG SER 6 HG SER 6 6.823 -4.366 0.188
41 H CYS 7 HN CYS 7 10.309 -6.054 -1.116
42 HA CYS 7 HA CYS 7 9.602 -7.580 1.172
43 HB2 CYS 7 HB1 CYS 7 10.982 -8.248 -1.421
44 HB3 CYS 7 HB2 CYS 7 10.751 -9.455 -0.160
45 H LEU 8 HN LEU 8 12.362 -5.817 0.417
46 HA LEU 8 HA LEU 8 14.425 -7.401 1.460
47 HB2 LEU 8 HB1 LEU 8 15.735 -5.460 1.495
48 HB3 LEU 8 HB2 LEU 8 14.610 -5.238 0.156
49 HG LEU 8 HG LEU 8 13.234 -3.953 2.036
50 HD11 LEU 8 HD11 LEU 8 14.356 -3.642 3.922
51 HD12 LEU 8 HD12 LEU 8 15.528 -2.682 3.019
52 HD13 LEU 8 HD13 LEU 8 15.794 -4.410 3.249
53 HD21 LEU 8 HD21 LEU 8 14.670 -3.267 -0.192
54 HD22 LEU 8 HD22 LEU 8 15.413 -2.271 1.060
55 HD23 LEU 8 HD23 LEU 8 13.677 -2.167 0.765
56 H VAL 9 HN VAL 9 11.918 -5.587 3.013
57 HA VAL 9 HA VAL 9 13.106 -5.272 5.557
58 HB VAL 9 HB VAL 9 11.122 -4.004 4.898
59 HG11 VAL 9 HG11 VAL 9 9.329 -6.324 5.359
60 HG12 VAL 9 HG12 VAL 9 9.104 -4.902 4.338
61 HG13 VAL 9 HG13 VAL 9 10.151 -6.217 3.802
62 HG21 VAL 9 HG21 VAL 9 9.984 -4.071 6.980
63 HG22 VAL 9 HG22 VAL 9 10.425 -5.758 7.244
64 HG23 VAL 9 HG23 VAL 9 11.662 -4.503 7.308
65 H CYS 10 HN CYS 10 11.610 -7.964 3.974
66 HA CYS 10 HA CYS 10 10.936 -9.482 6.266
67 HB2 CYS 10 HB1 CYS 10 11.435 -10.184 3.382
68 HB3 CYS 10 HB2 CYS 10 11.110 -11.432 4.581
69 H ALA 11 HN ALA 11 13.904 -8.969 4.529
70 HA ALA 11 HA ALA 11 15.336 -11.219 5.460
71 HB1 ALA 11 HB1 ALA 11 15.856 -9.352 3.622
72 HB2 ALA 11 HB2 ALA 11 16.823 -8.714 4.952
73 HB3 ALA 11 HB3 ALA 11 17.113 -10.348 4.358
74 H ALA 12 HN ALA 12 14.240 -8.442 7.061
75 HA ALA 12 HA ALA 12 16.322 -8.162 8.985
76 HB1 ALA 12 HB1 ALA 12 14.744 -6.751 10.198
77 HB2 ALA 12 HB2 ALA 12 14.778 -6.339 8.483
78 HB3 ALA 12 HB3 ALA 12 13.441 -7.285 9.136
79 H CYS 13 HN CYS 13 13.917 -10.488 8.536
80 HA CYS 13 HA CYS 13 13.432 -11.137 11.283
81 HB2 CYS 13 HB1 CYS 13 12.839 -12.497 8.667
82 HB3 CYS 13 HB2 CYS 13 12.546 -13.313 10.200
83 H SER 14 HN SER 14 15.182 -11.687 12.454
84 HA SER 14 HA SER 14 16.907 -13.832 11.397
85 HB2 SER 14 HB1 SER 14 18.269 -11.901 11.656
86 HB3 SER 14 HB2 SER 14 17.550 -11.512 13.219
87 HG SER 14 HG SER 14 19.730 -12.674 13.035
88 H VAL 15 HN VAL 15 14.897 -12.750 13.998
89 HA VAL 15 HA VAL 15 15.740 -14.862 15.801
90 HB VAL 15 HB VAL 15 13.435 -12.933 16.102
91 HG11 VAL 15 HG11 VAL 15 12.979 -14.536 17.667
92 HG12 VAL 15 HG12 VAL 15 14.672 -14.996 17.852
93 HG13 VAL 15 HG13 VAL 15 14.074 -13.513 18.596
94 HG21 VAL 15 HG21 VAL 15 14.990 -11.698 17.608
95 HG22 VAL 15 HG22 VAL 15 16.297 -12.731 17.030
96 HG23 VAL 15 HG23 VAL 15 15.458 -11.660 15.908
97 H GLU 16 HN GLU 16 13.435 -14.404 13.319
98 HA GLU 16 HA GLU 16 12.273 -17.020 13.916
99 HB2 GLU 16 HB1 GLU 16 10.000 -16.150 13.350
100 HB3 GLU 16 HB2 GLU 16 10.652 -15.526 14.858
101 HG2 GLU 16 HG1 GLU 16 11.368 -13.485 13.591
102 HG3 GLU 16 HG2 GLU 16 10.452 -14.104 12.219
103 H LEU 17 HN LEU 17 10.780 -17.667 11.994
104 HA LEU 17 HA LEU 17 12.294 -17.108 9.542
105 HB2 LEU 17 HB1 LEU 17 10.782 -19.443 10.574
106 HB3 LEU 17 HB2 LEU 17 10.797 -19.189 8.830
107 HG LEU 17 HG LEU 17 12.514 -20.774 9.487
108 HD11 LEU 17 HD11 LEU 17 12.870 -18.539 7.889
109 HD12 LEU 17 HD12 LEU 17 13.864 -19.995 7.902
110 HD13 LEU 17 HD13 LEU 17 14.328 -18.603 8.879
111 HD21 LEU 17 HD21 LEU 17 12.949 -20.133 11.743
112 HD22 LEU 17 HD22 LEU 17 13.490 -18.530 11.245
113 HD23 LEU 17 HD23 LEU 17 14.452 -19.953 10.838
114 H LEU 18 HN LEU 18 9.194 -16.760 11.016
115 HA LEU 18 HA LEU 18 7.508 -16.576 8.820
116 HB2 LEU 18 HB1 LEU 18 7.519 -15.330 11.531
117 HB3 LEU 18 HB2 LEU 18 6.325 -14.807 10.345
118 HG LEU 18 HG LEU 18 5.387 -16.473 11.840
119 HD11 LEU 18 HD11 LEU 18 5.527 -18.218 9.548
120 HD12 LEU 18 HD12 LEU 18 5.329 -16.536 9.058
121 HD13 LEU 18 HD13 LEU 18 4.170 -17.274 10.164
122 HD21 LEU 18 HD21 LEU 18 7.699 -17.570 12.181
123 HD22 LEU 18 HD22 LEU 18 7.285 -18.519 10.753
124 HD23 LEU 18 HD23 LEU 18 6.263 -18.594 12.190
125 H DSG 19 HN DAS 19 9.416 -14.007 10.373
126 HB2 DSG 19 HB2 DAS 19 8.597 -10.612 8.401
127 HB3 DSG 19 HB1 DAS 19 7.808 -12.017 7.691
128 HD21 DSG 19 HD21 DAS 19 8.218 -10.129 10.599
129 HD22 DSG 19 HD22 DAS 19 6.803 -10.707 11.404
130 H LEU 20 HN LEU 20 10.821 -14.544 8.238
131 HA LEU 20 HA LEU 20 12.355 -13.333 6.130
132 HB2 LEU 20 HB1 LEU 20 12.341 -15.842 7.606
133 HB3 LEU 20 HB2 LEU 20 12.684 -16.062 5.891
134 HG LEU 20 HG LEU 20 14.215 -14.181 7.682
135 HD11 LEU 20 HD11 LEU 20 14.586 -16.380 8.527
136 HD12 LEU 20 HD12 LEU 20 15.994 -15.929 7.566
137 HD13 LEU 20 HD13 LEU 20 14.790 -17.032 6.901
138 HD21 LEU 20 HD21 LEU 20 14.378 -13.557 5.380
139 HD22 LEU 20 HD22 LEU 20 14.667 -15.227 4.891
140 HD23 LEU 20 HD23 LEU 20 15.881 -14.360 5.832
141 H VAL 21 HN VAL 21 9.326 -14.878 6.364
142 HA VAL 21 HA VAL 21 9.120 -16.110 3.851
143 HB VAL 21 HB VAL 21 6.930 -14.811 5.479
144 HG11 VAL 21 HG11 VAL 21 6.878 -16.663 3.116
145 HG12 VAL 21 HG12 VAL 21 5.521 -16.538 4.236
146 HG13 VAL 21 HG13 VAL 21 6.049 -15.122 3.327
147 HG21 VAL 21 HG21 VAL 21 8.018 -16.473 6.804
148 HG22 VAL 21 HG22 VAL 21 6.506 -17.166 6.218
149 HG23 VAL 21 HG23 VAL 21 8.033 -17.616 5.460
150 H DTH 22 HN DTH 22 8.985 -12.779 4.803
151 HB DTH 22 HB DTH 22 7.060 -12.386 1.645
152 HG21 DTH 22 HG21 DTH 22 5.962 -12.857 3.666
153 HG22 DTH 22 HG22 DTH 22 6.417 -11.309 4.380
154 HG23 DTH 22 HG23 DTH 22 5.178 -11.373 3.127
155 HG1 DTH 22 HG1 DTH 22 6.715 -10.440 0.898
156 H ALA 23 HN ALA 23 10.781 -12.964 2.925
157 HA ALA 23 HA ALA 23 12.245 -11.568 1.051
158 HB1 ALA 23 HB1 ALA 23 13.314 -13.215 2.402
159 HB2 ALA 23 HB2 ALA 23 12.307 -14.500 1.733
160 HB3 ALA 23 HB3 ALA 23 13.508 -13.703 0.718
161 H ALA 24 HN ALA 24 9.671 -13.858 0.557
162 HA ALA 24 HA ALA 24 10.099 -14.661 -2.057
163 HB1 ALA 24 HB1 ALA 24 8.258 -15.356 -0.412
164 HB2 ALA 24 HB2 ALA 24 7.357 -13.981 -1.053
165 HB3 ALA 24 HB3 ALA 24 7.853 -15.288 -2.128
166 H DTH 25 HN DTH 25 9.007 -11.585 -0.833
167 HB DTH 25 HB DTH 25 7.775 -11.152 -4.321
168 HG21 DTH 25 HG21 DTH 25 6.358 -10.755 -1.710
169 HG22 DTH 25 HG22 DTH 25 5.420 -10.746 -3.204
170 HG23 DTH 25 HG23 DTH 25 6.373 -12.165 -2.769
171 HG1 DTH 25 HG1 DTH 25 7.434 -9.143 -4.900
172 H GLY 26 HN GLY 26 11.187 -10.842 -2.048
173 HA2 GLY 26 HA1 GLY 26 12.448 -8.939 -3.677
174 HA3 GLY 26 HA2 GLY 26 13.210 -10.383 -3.027
175 H ALA 27 HN ALA 27 10.960 -11.901 -4.520
176 HA ALA 27 HA ALA 27 12.477 -12.732 -6.705
177 HB1 ALA 27 HB1 ALA 27 9.480 -12.914 -6.624
178 HB2 ALA 27 HB2 ALA 27 10.634 -14.036 -7.347
179 HB3 ALA 27 HB3 ALA 27 10.510 -13.907 -5.593
180 H DSN 28 HN DSN 28 10.307 -10.049 -6.360
181 HB2 DSN 28 HB2 DSN 28 9.923 -10.431 -9.938
182 HB3 DSN 28 HB1 DSN 28 8.500 -10.168 -8.931
183 HG DSN 28 HG DSN 28 9.574 -8.563 -10.956
184 H THR 29 HN THR 29 12.304 -8.277 -7.051
185 HA THR 29 HA THR 29 13.510 -6.934 -9.301
186 HB THR 29 HB THR 29 13.732 -5.877 -7.149
187 HG1 THR 29 HG1 THR 29 15.540 -5.431 -8.275
188 HG21 THR 29 HG21 THR 29 14.802 -8.547 -6.318
189 HG22 THR 29 HG22 THR 29 13.600 -7.528 -5.526
190 HG23 THR 29 HG23 THR 29 15.306 -7.090 -5.464
191 H ALA 30 HN ALA 30 13.754 -10.015 -7.776
192 HA ALA 30 HA ALA 30 16.387 -10.630 -8.761
193 HB1 ALA 30 HB1 ALA 30 14.331 -12.573 -7.731
194 HB2 ALA 30 HB2 ALA 30 16.081 -12.784 -7.802
195 HB3 ALA 30 HB3 ALA 30 15.379 -11.615 -6.684
196 H SER 31 HN SER 31 13.144 -10.870 -9.933
197 HA SER 31 HA SER 31 13.798 -12.807 -11.986
198 HB2 SER 31 HB1 SER 31 11.277 -11.221 -11.449
199 HB3 SER 31 HB2 SER 31 11.439 -12.436 -12.717
200 HG SER 31 HG SER 31 10.635 -13.556 -11.045
Start of MODEL 8
1 H1 ASP 1 HN ASP 1 -0.818 -3.453 -4.969
2 HA ASP 1 HA ASP 1 1.181 -5.070 -5.700
3 HB2 ASP 1 HB1 ASP 1 0.952 -2.087 -5.956
4 HB3 ASP 1 HB2 ASP 1 2.361 -2.927 -6.596
5 H TRP 2 HN TRP 2 2.200 -5.952 -3.855
6 HA TRP 2 HA TRP 2 3.610 -4.472 -1.934
7 HB2 TRP 2 HB1 TRP 2 3.811 -7.318 -2.890
8 HB3 TRP 2 HB2 TRP 2 4.904 -6.690 -1.659
9 HD1 TRP 2 HD1 TRP 2 3.210 -5.231 0.342
10 HE1 TRP 2 HE1 TRP 2 1.286 -6.341 1.642
11 HE3 TRP 2 HE3 TRP 2 2.271 -9.158 -2.794
12 HZ2 TRP 2 HZ2 TRP 2 -0.406 -8.585 1.374
13 HZ3 TRP 2 HZ3 TRP 2 0.484 -10.741 -2.199
14 HH2 TRP 2 HH2 TRP 2 -0.825 -10.459 -0.157
15 H THR 3 HN THR 3 5.312 -3.205 -2.212
16 HA THR 3 HA THR 3 6.877 -3.203 -4.583
17 HB THR 3 HB THR 3 8.394 -1.669 -3.106
18 HG1 THR 3 HG1 THR 3 6.832 -0.749 -1.431
19 HG21 THR 3 HG21 THR 3 5.546 -0.926 -3.790
20 HG22 THR 3 HG22 THR 3 6.935 -0.841 -4.873
21 HG23 THR 3 HG23 THR 3 6.850 0.215 -3.464
22 H CYS 4 HN CYS 4 8.809 -4.104 -5.036
23 HA CYS 4 HA CYS 4 9.734 -6.285 -3.496
24 HB2 CYS 4 HB1 CYS 4 11.053 -4.784 -5.766
25 HB3 CYS 4 HB2 CYS 4 11.646 -6.301 -5.098
26 H TRP 5 HN TRP 5 10.439 -2.915 -3.434
27 HA TRP 5 HA TRP 5 13.012 -3.067 -2.229
28 HB2 TRP 5 HB1 TRP 5 10.970 -0.919 -2.627
29 HB3 TRP 5 HB2 TRP 5 12.278 -0.643 -1.480
30 HD1 TRP 5 HD1 TRP 5 14.794 -0.563 -2.492
31 HE1 TRP 5 HE1 TRP 5 15.638 0.028 -4.851
32 HE3 TRP 5 HE3 TRP 5 10.409 -1.068 -5.073
33 HZ2 TRP 5 HZ2 TRP 5 14.584 0.251 -7.460
34 HZ3 TRP 5 HZ3 TRP 5 10.413 -0.647 -7.497
35 HH2 TRP 5 HH2 TRP 5 12.458 -0.001 -8.664
36 H SER 6 HN SER 6 9.726 -2.711 -0.956
37 HA SER 6 HA SER 6 10.423 -2.349 1.742
38 HB2 SER 6 HB1 SER 6 8.177 -1.862 0.930
39 HB3 SER 6 HB2 SER 6 7.923 -3.563 0.538
40 HG SER 6 HG SER 6 8.403 -2.522 3.137
41 H CYS 7 HN CYS 7 10.365 -5.157 -0.264
42 HA CYS 7 HA CYS 7 10.142 -7.116 1.780
43 HB2 CYS 7 HB1 CYS 7 11.086 -7.158 -1.072
44 HB3 CYS 7 HB2 CYS 7 11.268 -8.579 -0.049
45 H LEU 8 HN LEU 8 12.608 -4.975 0.985
46 HA LEU 8 HA LEU 8 14.917 -6.506 1.439
47 HB2 LEU 8 HB1 LEU 8 15.157 -4.370 0.453
48 HB3 LEU 8 HB2 LEU 8 14.316 -3.582 1.787
49 HG LEU 8 HG LEU 8 16.827 -4.980 2.476
50 HD11 LEU 8 HD11 LEU 8 17.354 -3.928 0.296
51 HD12 LEU 8 HD12 LEU 8 18.252 -3.233 1.644
52 HD13 LEU 8 HD13 LEU 8 16.871 -2.371 0.968
53 HD21 LEU 8 HD21 LEU 8 15.256 -2.610 3.318
54 HD22 LEU 8 HD22 LEU 8 17.001 -2.561 3.570
55 HD23 LEU 8 HD23 LEU 8 16.042 -3.856 4.289
56 H VAL 9 HN VAL 9 12.928 -4.582 3.665
57 HA VAL 9 HA VAL 9 14.487 -5.064 5.968
58 HB VAL 9 HB VAL 9 12.779 -3.258 5.768
59 HG11 VAL 9 HG11 VAL 9 10.590 -3.642 5.481
60 HG12 VAL 9 HG12 VAL 9 11.094 -5.251 4.962
61 HG13 VAL 9 HG13 VAL 9 10.578 -4.982 6.627
62 HG21 VAL 9 HG21 VAL 9 11.718 -4.363 8.150
63 HG22 VAL 9 HG22 VAL 9 13.393 -4.898 8.013
64 HG23 VAL 9 HG23 VAL 9 13.011 -3.177 7.975
65 H CYS 10 HN CYS 10 12.329 -7.050 4.219
66 HA CYS 10 HA CYS 10 11.402 -8.715 6.314
67 HB2 CYS 10 HB1 CYS 10 10.998 -8.514 3.550
68 HB3 CYS 10 HB2 CYS 10 11.686 -10.116 3.795
69 H ALA 11 HN ALA 11 14.354 -8.594 4.484
70 HA ALA 11 HA ALA 11 15.260 -11.226 5.059
71 HB1 ALA 11 HB1 ALA 11 16.369 -8.800 3.837
72 HB2 ALA 11 HB2 ALA 11 17.552 -9.836 4.635
73 HB3 ALA 11 HB3 ALA 11 16.527 -10.490 3.358
74 H ALA 12 HN ALA 12 14.844 -8.541 7.020
75 HA ALA 12 HA ALA 12 17.098 -8.809 8.740
76 HB1 ALA 12 HB1 ALA 12 14.482 -7.651 9.624
77 HB2 ALA 12 HB2 ALA 12 16.122 -7.168 10.060
78 HB3 ALA 12 HB3 ALA 12 15.494 -6.805 8.453
79 H CYS 13 HN CYS 13 14.430 -10.765 8.245
80 HA CYS 13 HA CYS 13 13.979 -11.631 10.935
81 HB2 CYS 13 HB1 CYS 13 13.090 -12.511 8.225
82 HB3 CYS 13 HB2 CYS 13 12.929 -13.644 9.563
83 H SER 14 HN SER 14 15.216 -12.935 12.097
84 HA SER 14 HA SER 14 16.836 -14.966 10.728
85 HB2 SER 14 HB1 SER 14 17.818 -13.064 12.867
86 HB3 SER 14 HB2 SER 14 18.711 -14.478 12.308
87 HG SER 14 HG SER 14 17.804 -12.585 10.444
88 H VAL 15 HN VAL 15 15.622 -13.787 13.849
89 HA VAL 15 HA VAL 15 15.845 -16.425 15.033
90 HB VAL 15 HB VAL 15 14.842 -15.344 17.042
91 HG11 VAL 15 HG11 VAL 15 17.373 -15.282 16.211
92 HG12 VAL 15 HG12 VAL 15 17.064 -13.546 16.264
93 HG13 VAL 15 HG13 VAL 15 16.851 -14.525 17.715
94 HG21 VAL 15 HG21 VAL 15 14.164 -13.158 17.110
95 HG22 VAL 15 HG22 VAL 15 15.204 -12.676 15.770
96 HG23 VAL 15 HG23 VAL 15 13.715 -13.567 15.455
97 H GLU 16 HN GLU 16 13.776 -15.233 12.883
98 HA GLU 16 HA GLU 16 11.625 -16.978 13.776
99 HB2 GLU 16 HB1 GLU 16 9.897 -15.269 13.345
100 HB3 GLU 16 HB2 GLU 16 10.950 -14.831 14.683
101 HG2 GLU 16 HG1 GLU 16 12.266 -13.551 12.809
102 HG3 GLU 16 HG2 GLU 16 10.712 -13.619 11.980
103 H LEU 17 HN LEU 17 10.636 -18.013 12.127
104 HA LEU 17 HA LEU 17 11.751 -17.724 9.495
105 HB2 LEU 17 HB1 LEU 17 9.911 -19.599 10.861
106 HB3 LEU 17 HB2 LEU 17 9.769 -19.475 9.109
107 HG LEU 17 HG LEU 17 12.217 -20.018 8.967
108 HD11 LEU 17 HD11 LEU 17 12.966 -21.315 11.101
109 HD12 LEU 17 HD12 LEU 17 11.812 -20.258 11.914
110 HD13 LEU 17 HD13 LEU 17 13.161 -19.564 11.015
111 HD21 LEU 17 HD21 LEU 17 11.361 -22.417 10.239
112 HD22 LEU 17 HD22 LEU 17 11.464 -22.054 8.516
113 HD23 LEU 17 HD23 LEU 17 9.983 -21.698 9.405
114 H LEU 18 HN LEU 18 8.880 -16.686 11.138
115 HA LEU 18 HA LEU 18 7.139 -16.268 9.012
116 HB2 LEU 18 HB1 LEU 18 7.468 -14.511 11.438
117 HB3 LEU 18 HB2 LEU 18 6.040 -14.626 10.411
118 HG LEU 18 HG LEU 18 7.023 -17.057 11.845
119 HD11 LEU 18 HD11 LEU 18 6.778 -14.951 13.372
120 HD12 LEU 18 HD12 LEU 18 6.086 -16.496 13.864
121 HD13 LEU 18 HD13 LEU 18 5.053 -15.250 13.164
122 HD21 LEU 18 HD21 LEU 18 4.422 -16.047 10.748
123 HD22 LEU 18 HD22 LEU 18 4.472 -17.356 11.929
124 HD23 LEU 18 HD23 LEU 18 5.282 -17.540 10.372
125 H DSG 19 HN DAS 19 9.632 -14.113 10.332
126 HB2 DSG 19 HB2 DAS 19 9.365 -10.666 8.249
127 HB3 DSG 19 HB1 DAS 19 8.164 -11.889 7.842
128 HD21 DSG 19 HD21 DAS 19 6.538 -12.279 9.213
129 HD22 DSG 19 HD22 DAS 19 6.353 -11.529 10.759
130 H LEU 20 HN LEU 20 11.210 -14.764 8.277
131 HA LEU 20 HA LEU 20 12.620 -14.019 5.999
132 HB2 LEU 20 HB1 LEU 20 11.904 -16.545 7.324
133 HB3 LEU 20 HB2 LEU 20 12.296 -16.682 5.612
134 HG LEU 20 HG LEU 20 14.400 -15.228 6.449
135 HD11 LEU 20 HD11 LEU 20 13.973 -17.109 8.743
136 HD12 LEU 20 HD12 LEU 20 13.421 -15.436 8.812
137 HD13 LEU 20 HD13 LEU 20 15.134 -15.790 8.586
138 HD21 LEU 20 HD21 LEU 20 13.876 -18.119 6.101
139 HD22 LEU 20 HD22 LEU 20 15.400 -17.669 6.866
140 HD23 LEU 20 HD23 LEU 20 15.006 -17.058 5.259
141 H VAL 21 HN VAL 21 9.311 -14.937 6.368
142 HA VAL 21 HA VAL 21 8.735 -15.813 3.763
143 HB VAL 21 HB VAL 21 6.909 -14.351 5.677
144 HG11 VAL 21 HG11 VAL 21 6.506 -15.591 3.035
145 HG12 VAL 21 HG12 VAL 21 5.304 -15.991 4.264
146 HG13 VAL 21 HG13 VAL 21 5.604 -14.306 3.837
147 HG21 VAL 21 HG21 VAL 21 7.626 -17.251 5.364
148 HG22 VAL 21 HG22 VAL 21 7.666 -16.257 6.821
149 HG23 VAL 21 HG23 VAL 21 6.119 -16.738 6.124
150 H DTH 22 HN DTH 22 9.104 -12.616 5.121
151 HB DTH 22 HB DTH 22 7.191 -11.600 2.127
152 HG21 DTH 22 HG21 DTH 22 5.457 -10.677 3.674
153 HG22 DTH 22 HG22 DTH 22 6.291 -12.084 4.333
154 HG23 DTH 22 HG23 DTH 22 6.712 -10.466 4.894
155 HG1 DTH 22 HG1 DTH 22 7.832 -9.575 1.575
156 H ALA 23 HN ALA 23 10.903 -12.752 3.209
157 HA ALA 23 HA ALA 23 12.434 -11.361 1.381
158 HB1 ALA 23 HB1 ALA 23 13.240 -13.286 2.670
159 HB2 ALA 23 HB2 ALA 23 12.266 -14.359 1.665
160 HB3 ALA 23 HB3 ALA 23 13.597 -13.450 0.951
161 H ALA 24 HN ALA 24 9.644 -13.372 0.833
162 HA ALA 24 HA ALA 24 9.909 -14.016 -1.845
163 HB1 ALA 24 HB1 ALA 24 7.326 -13.209 -0.522
164 HB2 ALA 24 HB2 ALA 24 7.536 -14.284 -1.905
165 HB3 ALA 24 HB3 ALA 24 8.096 -14.782 -0.309
166 H DTH 25 HN DTH 25 9.138 -10.955 -0.365
167 HB DTH 25 HB DTH 25 7.826 -10.176 -3.752
168 HG21 DTH 25 HG21 DTH 25 5.557 -9.678 -2.579
169 HG22 DTH 25 HG22 DTH 25 6.433 -11.141 -2.127
170 HG23 DTH 25 HG23 DTH 25 6.501 -9.715 -1.091
171 HG1 DTH 25 HG1 DTH 25 7.979 -8.013 -4.049
172 H GLY 26 HN GLY 26 11.347 -10.246 -1.565
173 HA2 GLY 26 HA1 GLY 26 12.706 -8.370 -3.128
174 HA3 GLY 26 HA2 GLY 26 13.366 -9.911 -2.602
175 H ALA 27 HN ALA 27 11.020 -11.211 -4.083
176 HA ALA 27 HA ALA 27 12.390 -11.942 -6.396
177 HB1 ALA 27 HB1 ALA 27 10.022 -12.670 -7.161
178 HB2 ALA 27 HB2 ALA 27 10.749 -13.441 -5.751
179 HB3 ALA 27 HB3 ALA 27 9.535 -12.179 -5.538
180 H DSN 28 HN DSN 28 10.383 -9.199 -5.752
181 HB2 DSN 28 HB2 DSN 28 9.877 -8.954 -9.546
182 HB3 DSN 28 HB1 DSN 28 8.698 -9.436 -8.326
183 HG DSN 28 HG DSN 28 7.531 -7.828 -8.970
184 H THR 29 HN THR 29 12.583 -8.080 -6.603
185 HA THR 29 HA THR 29 13.694 -6.186 -8.472
186 HB THR 29 HB THR 29 15.717 -6.300 -7.171
187 HG1 THR 29 HG1 THR 29 16.000 -7.873 -5.575
188 HG21 THR 29 HG21 THR 29 14.852 -5.149 -5.452
189 HG22 THR 29 HG22 THR 29 13.929 -6.538 -4.877
190 HG23 THR 29 HG23 THR 29 13.279 -5.515 -6.158
191 H ALA 30 HN ALA 30 14.104 -9.629 -7.744
192 HA ALA 30 HA ALA 30 16.050 -9.979 -9.852
193 HB1 ALA 30 HB1 ALA 30 15.472 -12.492 -9.176
194 HB2 ALA 30 HB2 ALA 30 16.558 -11.477 -8.227
195 HB3 ALA 30 HB3 ALA 30 14.877 -11.677 -7.730
196 H SER 31 HN SER 31 13.101 -11.870 -9.255
197 HA SER 31 HA SER 31 11.596 -12.807 -10.687
198 HB2 SER 31 HB1 SER 31 11.917 -9.998 -11.597
199 HB3 SER 31 HB2 SER 31 11.082 -11.094 -12.697
200 HG SER 31 HG SER 31 9.416 -10.757 -11.473
Start of MODEL 9
1 H1 ASP 1 HN ASP 1 -0.279 -0.733 -4.584
2 HA ASP 1 HA ASP 1 1.014 -2.989 -5.401
3 HB2 ASP 1 HB1 ASP 1 2.490 -1.436 -6.770
4 HB3 ASP 1 HB2 ASP 1 0.753 -1.221 -6.962
5 H TRP 2 HN TRP 2 1.923 -3.839 -3.405
6 HA TRP 2 HA TRP 2 4.016 -2.642 -1.986
7 HB2 TRP 2 HB1 TRP 2 3.495 -5.592 -2.422
8 HB3 TRP 2 HB2 TRP 2 4.519 -4.905 -1.164
9 HD1 TRP 2 HD1 TRP 2 0.822 -5.229 -2.160
10 HE1 TRP 2 HE1 TRP 2 -0.622 -4.810 -0.072
11 HE3 TRP 2 HE3 TRP 2 4.495 -3.785 1.090
12 HZ2 TRP 2 HZ2 TRP 2 -0.254 -3.977 2.600
13 HZ3 TRP 2 HZ3 TRP 2 3.865 -3.193 3.394
14 HH2 TRP 2 HH2 TRP 2 1.539 -3.287 4.131
15 H THR 3 HN THR 3 5.970 -2.085 -2.655
16 HA THR 3 HA THR 3 7.058 -2.934 -5.138
17 HB THR 3 HB THR 3 9.078 -1.685 -4.469
18 HG1 THR 3 HG1 THR 3 7.685 -1.313 -2.007
19 HG21 THR 3 HG21 THR 3 6.609 -0.124 -3.724
20 HG22 THR 3 HG22 THR 3 7.017 -0.554 -5.385
21 HG23 THR 3 HG23 THR 3 8.095 0.484 -4.452
22 H CYS 4 HN CYS 4 8.824 -4.255 -5.572
23 HA CYS 4 HA CYS 4 9.088 -6.562 -3.969
24 HB2 CYS 4 HB1 CYS 4 10.403 -5.510 -6.425
25 HB3 CYS 4 HB2 CYS 4 11.226 -6.796 -5.550
26 H TRP 5 HN TRP 5 10.737 -3.530 -3.983
27 HA TRP 5 HA TRP 5 13.106 -4.412 -2.652
28 HB2 TRP 5 HB1 TRP 5 11.878 -1.699 -3.119
29 HB3 TRP 5 HB2 TRP 5 13.351 -1.906 -2.175
30 HD1 TRP 5 HD1 TRP 5 15.489 -3.012 -3.546
31 HE1 TRP 5 HE1 TRP 5 16.153 -2.731 -6.017
32 HE3 TRP 5 HE3 TRP 5 11.022 -1.357 -5.404
33 HZ2 TRP 5 HZ2 TRP 5 14.943 -1.915 -8.434
34 HZ3 TRP 5 HZ3 TRP 5 10.860 -0.848 -7.805
35 HH2 TRP 5 HH2 TRP 5 12.781 -1.122 -9.287
36 H SER 6 HN SER 6 9.952 -3.312 -1.639
37 HA SER 6 HA SER 6 10.523 -2.667 1.028
38 HB2 SER 6 HB1 SER 6 8.191 -2.712 1.401
39 HB3 SER 6 HB2 SER 6 8.356 -2.270 -0.298
40 HG SER 6 HG SER 6 8.150 -4.657 -0.644
41 H CYS 7 HN CYS 7 10.434 -5.685 -0.578
42 HA CYS 7 HA CYS 7 9.773 -7.350 1.624
43 HB2 CYS 7 HB1 CYS 7 11.062 -7.794 -1.047
44 HB3 CYS 7 HB2 CYS 7 11.062 -9.085 0.150
45 H LEU 8 HN LEU 8 12.496 -5.492 0.953
46 HA LEU 8 HA LEU 8 14.592 -7.087 1.910
47 HB2 LEU 8 HB1 LEU 8 15.858 -5.108 2.075
48 HB3 LEU 8 HB2 LEU 8 14.768 -4.885 0.708
49 HG LEU 8 HG LEU 8 13.294 -3.691 2.569
50 HD11 LEU 8 HD11 LEU 8 14.320 -3.142 4.459
51 HD12 LEU 8 HD12 LEU 8 15.724 -2.523 3.591
52 HD13 LEU 8 HD13 LEU 8 15.622 -4.237 3.995
53 HD21 LEU 8 HD21 LEU 8 15.283 -2.824 0.630
54 HD22 LEU 8 HD22 LEU 8 15.033 -1.656 1.928
55 HD23 LEU 8 HD23 LEU 8 13.666 -2.199 0.953
56 H VAL 9 HN VAL 9 12.043 -5.431 3.555
57 HA VAL 9 HA VAL 9 13.230 -5.190 6.107
58 HB VAL 9 HB VAL 9 11.195 -3.972 5.512
59 HG11 VAL 9 HG11 VAL 9 10.300 -6.144 4.305
60 HG12 VAL 9 HG12 VAL 9 9.511 -6.397 5.864
61 HG13 VAL 9 HG13 VAL 9 9.198 -4.924 4.944
62 HG21 VAL 9 HG21 VAL 9 10.271 -4.009 7.616
63 HG22 VAL 9 HG22 VAL 9 10.336 -5.767 7.734
64 HG23 VAL 9 HG23 VAL 9 11.809 -4.816 7.918
65 H CYS 10 HN CYS 10 11.803 -7.858 4.411
66 HA CYS 10 HA CYS 10 11.222 -9.504 6.640
67 HB2 CYS 10 HB1 CYS 10 11.643 -10.012 3.711
68 HB3 CYS 10 HB2 CYS 10 11.471 -11.360 4.830
69 H ALA 11 HN ALA 11 14.138 -8.796 4.893
70 HA ALA 11 HA ALA 11 15.655 -11.047 5.695
71 HB1 ALA 11 HB1 ALA 11 16.849 -8.358 5.118
72 HB2 ALA 11 HB2 ALA 11 17.510 -9.960 4.788
73 HB3 ALA 11 HB3 ALA 11 16.155 -9.351 3.837
74 H ALA 12 HN ALA 12 14.491 -8.394 7.433
75 HA ALA 12 HA ALA 12 16.621 -8.124 9.319
76 HB1 ALA 12 HB1 ALA 12 13.801 -7.361 9.945
77 HB2 ALA 12 HB2 ALA 12 15.307 -6.552 10.382
78 HB3 ALA 12 HB3 ALA 12 14.707 -6.465 8.726
79 H CYS 13 HN CYS 13 14.398 -10.550 8.791
80 HA CYS 13 HA CYS 13 13.830 -11.273 11.503
81 HB2 CYS 13 HB1 CYS 13 13.403 -12.537 8.825
82 HB3 CYS 13 HB2 CYS 13 13.247 -13.528 10.272
83 H SER 14 HN SER 14 15.060 -12.376 12.876
84 HA SER 14 HA SER 14 17.178 -14.114 11.831
85 HB2 SER 14 HB1 SER 14 18.173 -11.900 12.403
86 HB3 SER 14 HB2 SER 14 17.613 -12.114 14.061
87 HG SER 14 HG SER 14 19.436 -13.114 14.332
88 H VAL 15 HN VAL 15 15.273 -13.078 14.623
89 HA VAL 15 HA VAL 15 15.904 -15.462 16.127
90 HB VAL 15 HB VAL 15 14.367 -14.595 17.812
91 HG11 VAL 15 HG11 VAL 15 16.134 -12.408 16.718
92 HG12 VAL 15 HG12 VAL 15 15.558 -12.564 18.379
93 HG13 VAL 15 HG13 VAL 15 16.681 -13.753 17.718
94 HG21 VAL 15 HG21 VAL 15 12.574 -13.564 16.883
95 HG22 VAL 15 HG22 VAL 15 13.556 -12.128 17.172
96 HG23 VAL 15 HG23 VAL 15 13.518 -12.862 15.568
97 H GLU 16 HN GLU 16 13.691 -14.627 13.710
98 HA GLU 16 HA GLU 16 12.214 -17.107 14.176
99 HB2 GLU 16 HB1 GLU 16 11.022 -14.914 15.021
100 HB3 GLU 16 HB2 GLU 16 10.662 -14.703 13.314
101 HG2 GLU 16 HG1 GLU 16 8.797 -15.803 14.129
102 HG3 GLU 16 HG2 GLU 16 9.754 -17.098 13.413
103 H LEU 17 HN LEU 17 11.417 -18.089 12.315
104 HA LEU 17 HA LEU 17 12.751 -17.294 9.875
105 HB2 LEU 17 HB1 LEU 17 12.738 -19.629 10.473
106 HB3 LEU 17 HB2 LEU 17 10.977 -19.636 10.540
107 HG LEU 17 HG LEU 17 10.924 -19.224 8.099
108 HD11 LEU 17 HD11 LEU 17 13.739 -20.012 7.774
109 HD12 LEU 17 HD12 LEU 17 13.468 -18.369 8.352
110 HD13 LEU 17 HD13 LEU 17 12.752 -18.897 6.830
111 HD21 LEU 17 HD21 LEU 17 12.530 -21.600 8.027
112 HD22 LEU 17 HD22 LEU 17 10.781 -21.429 7.885
113 HD23 LEU 17 HD23 LEU 17 11.525 -21.593 9.476
114 H LEU 18 HN LEU 18 9.633 -16.988 11.286
115 HA LEU 18 HA LEU 18 7.967 -16.860 9.071
116 HB2 LEU 18 HB1 LEU 18 7.939 -15.590 11.767
117 HB3 LEU 18 HB2 LEU 18 6.766 -15.062 10.564
118 HG LEU 18 HG LEU 18 5.831 -16.735 12.084
119 HD11 LEU 18 HD11 LEU 18 5.560 -16.631 9.382
120 HD12 LEU 18 HD12 LEU 18 4.589 -17.641 10.453
121 HD13 LEU 18 HD13 LEU 18 5.989 -18.325 9.627
122 HD21 LEU 18 HD21 LEU 18 8.044 -17.900 12.446
123 HD22 LEU 18 HD22 LEU 18 7.775 -18.702 10.898
124 HD23 LEU 18 HD23 LEU 18 6.644 -18.950 12.230
125 H DSG 19 HN DAS 19 10.003 -14.342 10.501
126 HB2 DSG 19 HB2 DAS 19 9.160 -10.898 8.630
127 HB3 DSG 19 HB1 DAS 19 8.267 -12.262 7.963
128 HD21 DSG 19 HD21 DAS 19 8.773 -10.238 10.701
129 HD22 DSG 19 HD22 DAS 19 7.476 -10.852 11.664
130 H LEU 20 HN LEU 20 11.514 -14.764 8.400
131 HA LEU 20 HA LEU 20 12.844 -13.656 6.167
132 HB2 LEU 20 HB1 LEU 20 12.745 -16.214 7.560
133 HB3 LEU 20 HB2 LEU 20 12.996 -16.384 5.824
134 HG LEU 20 HG LEU 20 15.122 -16.381 6.957
135 HD11 LEU 20 HD11 LEU 20 16.101 -15.158 5.367
136 HD12 LEU 20 HD12 LEU 20 15.314 -13.672 5.897
137 HD13 LEU 20 HD13 LEU 20 14.463 -14.786 4.828
138 HD21 LEU 20 HD21 LEU 20 15.783 -14.909 8.557
139 HD22 LEU 20 HD22 LEU 20 14.043 -14.844 8.838
140 HD23 LEU 20 HD23 LEU 20 14.832 -13.582 7.890
141 H VAL 21 HN VAL 21 9.743 -15.023 6.531
142 HA VAL 21 HA VAL 21 9.320 -16.153 3.997
143 HB VAL 21 HB VAL 21 7.310 -14.787 5.794
144 HG11 VAL 21 HG11 VAL 21 5.675 -16.242 4.598
145 HG12 VAL 21 HG12 VAL 21 6.397 -14.987 3.589
146 HG13 VAL 21 HG13 VAL 21 6.954 -16.656 3.456
147 HG21 VAL 21 HG21 VAL 21 8.809 -17.072 6.272
148 HG22 VAL 21 HG22 VAL 21 7.326 -16.595 7.098
149 HG23 VAL 21 HG23 VAL 21 7.252 -17.682 5.711
150 H DTH 22 HN DTH 22 9.115 -12.836 5.145
151 HB DTH 22 HB DTH 22 7.251 -12.309 2.009
152 HG21 DTH 22 HG21 DTH 22 6.709 -11.485 4.820
153 HG22 DTH 22 HG22 DTH 22 5.453 -11.157 3.625
154 HG23 DTH 22 HG23 DTH 22 6.016 -12.808 3.883
155 HG1 DTH 22 HG1 DTH 22 6.996 -9.642 2.923
156 H ALA 23 HN ALA 23 10.980 -12.947 3.237
157 HA ALA 23 HA ALA 23 12.443 -11.474 1.421
158 HB1 ALA 23 HB1 ALA 23 13.401 -13.263 2.771
159 HB2 ALA 23 HB2 ALA 23 12.522 -14.462 1.822
160 HB3 ALA 23 HB3 ALA 23 13.781 -13.488 1.063
161 H ALA 24 HN ALA 24 9.857 -13.729 0.836
162 HA ALA 24 HA ALA 24 10.279 -14.408 -1.818
163 HB1 ALA 24 HB1 ALA 24 8.508 -15.347 -0.367
164 HB2 ALA 24 HB2 ALA 24 7.606 -13.841 -0.545
165 HB3 ALA 24 HB3 ALA 24 7.917 -14.855 -1.954
166 H DTH 25 HN DTH 25 9.115 -11.417 -0.435
167 HB DTH 25 HB DTH 25 7.920 -10.837 -3.904
168 HG21 DTH 25 HG21 DTH 25 5.566 -10.280 -2.576
169 HG22 DTH 25 HG22 DTH 25 6.323 -11.870 -2.679
170 HG23 DTH 25 HG23 DTH 25 6.617 -10.841 -1.277
171 HG1 DTH 25 HG1 DTH 25 6.551 -8.978 -4.095
172 H GLY 26 HN GLY 26 11.288 -10.688 -1.665
173 HA2 GLY 26 HA1 GLY 26 12.530 -8.627 -3.150
174 HA3 GLY 26 HA2 GLY 26 13.318 -10.079 -2.550
175 H ALA 27 HN ALA 27 11.336 -11.757 -4.060
176 HA ALA 27 HA ALA 27 12.870 -12.272 -6.329
177 HB1 ALA 27 HB1 ALA 27 11.056 -13.702 -5.139
178 HB2 ALA 27 HB2 ALA 27 9.955 -12.927 -6.279
179 HB3 ALA 27 HB3 ALA 27 11.310 -13.885 -6.875
180 H DSN 28 HN DSN 28 10.391 -9.927 -5.791
181 HB2 DSN 28 HB2 DSN 28 9.597 -10.368 -9.215
182 HB3 DSN 28 HB1 DSN 28 8.290 -10.051 -8.075
183 HG DSN 28 HG DSN 28 8.915 -8.775 -10.397
184 H THR 29 HN THR 29 12.500 -8.653 -6.926
185 HA THR 29 HA THR 29 13.258 -6.775 -8.969
186 HB THR 29 HB THR 29 15.464 -6.790 -7.924
187 HG1 THR 29 HG1 THR 29 14.443 -9.109 -6.722
188 HG21 THR 29 HG21 THR 29 13.592 -5.480 -6.909
189 HG22 THR 29 HG22 THR 29 14.858 -5.927 -5.765
190 HG23 THR 29 HG23 THR 29 13.334 -6.814 -5.786
191 H ALA 30 HN ALA 30 13.492 -10.201 -8.481
192 HA ALA 30 HA ALA 30 15.549 -10.607 -10.457
193 HB1 ALA 30 HB1 ALA 30 13.915 -12.346 -8.691
194 HB2 ALA 30 HB2 ALA 30 14.615 -13.066 -10.142
195 HB3 ALA 30 HB3 ALA 30 15.660 -12.305 -8.942
196 H SER 31 HN SER 31 12.057 -11.282 -10.265
197 HA SER 31 HA SER 31 11.970 -11.946 -13.087
198 HB2 SER 31 HB1 SER 31 10.589 -13.280 -11.632
199 HB3 SER 31 HB2 SER 31 9.826 -11.841 -10.955
200 HG SER 31 HG SER 31 8.399 -12.400 -12.450
Start of MODEL 10
1 H1 ASP 1 HN ASP 1 3.190 -9.012 -3.066
2 HA ASP 1 HA ASP 1 3.010 -7.854 -5.539
3 HB2 ASP 1 HB1 ASP 1 1.098 -8.127 -3.265
4 HB3 ASP 1 HB2 ASP 1 0.635 -7.102 -4.621
5 H TRP 2 HN TRP 2 3.230 -6.258 -2.429
6 HA TRP 2 HA TRP 2 2.501 -3.666 -3.246
7 HB2 TRP 2 HB1 TRP 2 4.194 -4.703 -0.981
8 HB3 TRP 2 HB2 TRP 2 3.935 -2.978 -1.225
9 HD1 TRP 2 HD1 TRP 2 2.280 -6.066 0.154
10 HE1 TRP 2 HE1 TRP 2 -0.009 -5.442 1.151
11 HE3 TRP 2 HE3 TRP 2 1.906 -1.281 -1.606
12 HZ2 TRP 2 HZ2 TRP 2 -1.744 -3.216 1.186
13 HZ3 TRP 2 HZ3 TRP 2 -0.101 0.028 -1.046
14 HH2 TRP 2 HH2 TRP 2 -1.887 -0.921 0.321
15 H THR 3 HN THR 3 5.795 -4.846 -2.541
16 HA THR 3 HA THR 3 6.901 -3.827 -4.946
17 HB THR 3 HB THR 3 8.413 -2.218 -3.319
18 HG1 THR 3 HG1 THR 3 7.141 -1.247 -1.867
19 HG21 THR 3 HG21 THR 3 7.208 -1.882 -5.622
20 HG22 THR 3 HG22 THR 3 7.648 -0.486 -4.639
21 HG23 THR 3 HG23 THR 3 5.987 -1.078 -4.637
22 H CYS 4 HN CYS 4 8.946 -4.592 -5.289
23 HA CYS 4 HA CYS 4 9.867 -6.693 -3.630
24 HB2 CYS 4 HB1 CYS 4 11.289 -5.248 -5.876
25 HB3 CYS 4 HB2 CYS 4 11.797 -6.776 -5.164
26 H TRP 5 HN TRP 5 10.455 -3.304 -3.669
27 HA TRP 5 HA TRP 5 12.991 -3.319 -2.378
28 HB2 TRP 5 HB1 TRP 5 10.897 -1.270 -2.950
29 HB3 TRP 5 HB2 TRP 5 12.114 -0.899 -1.732
30 HD1 TRP 5 HD1 TRP 5 14.662 -0.660 -2.575
31 HE1 TRP 5 HE1 TRP 5 15.641 -0.141 -4.898
32 HE3 TRP 5 HE3 TRP 5 10.535 -1.634 -5.432
33 HZ2 TRP 5 HZ2 TRP 5 14.778 -0.142 -7.586
34 HZ3 TRP 5 HZ3 TRP 5 10.695 -1.350 -7.871
35 HH2 TRP 5 HH2 TRP 5 12.773 -0.619 -8.924
36 H SER 6 HN SER 6 9.656 -3.000 -1.220
37 HA SER 6 HA SER 6 10.258 -2.539 1.483
38 HB2 SER 6 HB1 SER 6 7.848 -3.618 0.047
39 HB3 SER 6 HB2 SER 6 7.896 -3.588 1.810
40 HG SER 6 HG SER 6 7.918 -1.426 1.793
41 H CYS 7 HN CYS 7 10.332 -5.413 -0.427
42 HA CYS 7 HA CYS 7 10.090 -7.310 1.671
43 HB2 CYS 7 HB1 CYS 7 11.096 -7.403 -1.153
44 HB3 CYS 7 HB2 CYS 7 11.349 -8.781 -0.086
45 H LEU 8 HN LEU 8 12.530 -5.133 0.883
46 HA LEU 8 HA LEU 8 14.850 -6.607 1.496
47 HB2 LEU 8 HB1 LEU 8 15.122 -4.545 0.388
48 HB3 LEU 8 HB2 LEU 8 14.190 -3.679 1.608
49 HG LEU 8 HG LEU 8 16.648 -4.955 2.598
50 HD11 LEU 8 HD11 LEU 8 18.192 -3.499 1.599
51 HD12 LEU 8 HD12 LEU 8 16.923 -2.491 0.904
52 HD13 LEU 8 HD13 LEU 8 17.213 -4.109 0.264
53 HD21 LEU 8 HD21 LEU 8 16.755 -2.387 3.348
54 HD22 LEU 8 HD22 LEU 8 15.798 -3.600 4.198
55 HD23 LEU 8 HD23 LEU 8 15.025 -2.524 3.033
56 H VAL 9 HN VAL 9 12.717 -4.622 3.517
57 HA VAL 9 HA VAL 9 14.200 -4.884 5.904
58 HB VAL 9 HB VAL 9 12.436 -3.171 5.537
59 HG11 VAL 9 HG11 VAL 9 10.854 -5.445 4.969
60 HG12 VAL 9 HG12 VAL 9 10.174 -4.671 6.402
61 HG13 VAL 9 HG13 VAL 9 10.385 -3.746 4.915
62 HG21 VAL 9 HG21 VAL 9 11.496 -4.590 7.948
63 HG22 VAL 9 HG22 VAL 9 13.233 -4.297 7.848
64 HG23 VAL 9 HG23 VAL 9 12.105 -2.945 7.762
65 H CYS 10 HN CYS 10 12.242 -7.089 4.199
66 HA CYS 10 HA CYS 10 11.277 -8.655 6.353
67 HB2 CYS 10 HB1 CYS 10 10.983 -8.652 3.585
68 HB3 CYS 10 HB2 CYS 10 11.796 -10.175 3.927
69 H ALA 11 HN ALA 11 14.349 -8.405 4.805
70 HA ALA 11 HA ALA 11 15.368 -10.966 5.493
71 HB1 ALA 11 HB1 ALA 11 16.865 -10.226 4.024
72 HB2 ALA 11 HB2 ALA 11 16.358 -8.551 4.246
73 HB3 ALA 11 HB3 ALA 11 17.552 -9.262 5.332
74 H ALA 12 HN ALA 12 14.574 -8.309 7.378
75 HA ALA 12 HA ALA 12 16.647 -8.434 9.327
76 HB1 ALA 12 HB1 ALA 12 15.505 -6.796 10.452
77 HB2 ALA 12 HB2 ALA 12 14.873 -6.568 8.821
78 HB3 ALA 12 HB3 ALA 12 13.924 -7.447 10.020
79 H CYS 13 HN CYS 13 14.179 -10.554 8.570
80 HA CYS 13 HA CYS 13 13.485 -11.434 11.203
81 HB2 CYS 13 HB1 CYS 13 12.822 -12.174 8.441
82 HB3 CYS 13 HB2 CYS 13 12.883 -13.543 9.547
83 H SER 14 HN SER 14 15.609 -11.702 12.112
84 HA SER 14 HA SER 14 17.048 -14.082 11.155
85 HB2 SER 14 HB1 SER 14 18.034 -11.911 13.021
86 HB3 SER 14 HB2 SER 14 18.993 -13.229 12.347
87 HG SER 14 HG SER 14 17.633 -11.561 10.570
88 H VAL 15 HN VAL 15 15.336 -12.705 13.844
89 HA VAL 15 HA VAL 15 16.163 -14.759 15.706
90 HB VAL 15 HB VAL 15 13.954 -12.728 16.035
91 HG11 VAL 15 HG11 VAL 15 15.099 -14.820 17.727
92 HG12 VAL 15 HG12 VAL 15 15.012 -13.237 18.503
93 HG13 VAL 15 HG13 VAL 15 13.553 -13.981 17.848
94 HG21 VAL 15 HG21 VAL 15 16.907 -12.540 16.545
95 HG22 VAL 15 HG22 VAL 15 15.869 -11.429 15.651
96 HG23 VAL 15 HG23 VAL 15 15.747 -11.528 17.407
97 H GLU 16 HN GLU 16 13.729 -14.342 13.343
98 HA GLU 16 HA GLU 16 12.504 -16.866 14.157
99 HB2 GLU 16 HB1 GLU 16 11.222 -14.694 14.942
100 HB3 GLU 16 HB2 GLU 16 10.671 -14.680 13.273
101 HG2 GLU 16 HG1 GLU 16 9.058 -15.800 14.663
102 HG3 GLU 16 HG2 GLU 16 9.797 -16.954 13.554
103 H LEU 17 HN LEU 17 11.575 -18.042 12.466
104 HA LEU 17 HA LEU 17 12.639 -17.409 9.859
105 HB2 LEU 17 HB1 LEU 17 12.733 -19.689 10.665
106 HB3 LEU 17 HB2 LEU 17 10.980 -19.725 10.841
107 HG LEU 17 HG LEU 17 12.024 -19.166 8.129
108 HD11 LEU 17 HD11 LEU 17 12.208 -21.896 9.395
109 HD12 LEU 17 HD12 LEU 17 13.561 -20.902 8.858
110 HD13 LEU 17 HD13 LEU 17 12.414 -21.540 7.680
111 HD21 LEU 17 HD21 LEU 17 10.111 -21.256 8.279
112 HD22 LEU 17 HD22 LEU 17 9.902 -19.614 7.669
113 HD23 LEU 17 HD23 LEU 17 9.599 -19.968 9.370
114 H LEU 18 HN LEU 18 9.671 -17.003 11.519
115 HA LEU 18 HA LEU 18 7.808 -17.104 9.451
116 HB2 LEU 18 HB1 LEU 18 7.094 -16.932 11.727
117 HB3 LEU 18 HB2 LEU 18 7.915 -15.384 11.920
118 HG LEU 18 HG LEU 18 6.305 -14.377 10.333
119 HD11 LEU 18 HD11 LEU 18 4.483 -15.524 9.460
120 HD12 LEU 18 HD12 LEU 18 4.654 -16.862 10.596
121 HD13 LEU 18 HD13 LEU 18 5.809 -16.672 9.277
122 HD21 LEU 18 HD21 LEU 18 6.022 -14.619 12.914
123 HD22 LEU 18 HD22 LEU 18 4.705 -15.707 12.475
124 HD23 LEU 18 HD23 LEU 18 4.682 -14.029 11.930
125 H DSG 19 HN DAS 19 9.566 -14.260 10.692
126 HB2 DSG 19 HB2 DAS 19 7.868 -12.464 7.801
127 HB3 DSG 19 HB1 DAS 19 7.519 -12.350 9.524
128 HD21 DSG 19 HD21 DAS 19 7.132 -10.369 10.153
129 HD22 DSG 19 HD22 DAS 19 7.869 -8.934 9.535
130 H LEU 20 HN LEU 20 10.997 -14.901 8.531
131 HA LEU 20 HA LEU 20 12.501 -13.929 6.383
132 HB2 LEU 20 HB1 LEU 20 12.683 -16.097 7.891
133 HB3 LEU 20 HB2 LEU 20 11.849 -16.827 6.521
134 HG LEU 20 HG LEU 20 13.818 -15.654 5.181
135 HD11 LEU 20 HD11 LEU 20 15.303 -14.702 6.542
136 HD12 LEU 20 HD12 LEU 20 15.800 -16.342 6.957
137 HD13 LEU 20 HD13 LEU 20 14.632 -15.493 7.969
138 HD21 LEU 20 HD21 LEU 20 14.735 -18.097 6.540
139 HD22 LEU 20 HD22 LEU 20 14.544 -17.755 4.820
140 HD23 LEU 20 HD23 LEU 20 13.140 -18.198 5.793
141 H VAL 21 HN VAL 21 9.271 -15.096 6.518
142 HA VAL 21 HA VAL 21 8.928 -16.010 3.885
143 HB VAL 21 HB VAL 21 6.898 -14.680 5.686
144 HG11 VAL 21 HG11 VAL 21 5.650 -14.692 3.823
145 HG12 VAL 21 HG12 VAL 21 6.735 -15.804 2.986
146 HG13 VAL 21 HG13 VAL 21 5.526 -16.428 4.109
147 HG21 VAL 21 HG21 VAL 21 7.296 -17.626 5.230
148 HG22 VAL 21 HG22 VAL 21 8.081 -16.753 6.546
149 HG23 VAL 21 HG23 VAL 21 6.321 -16.833 6.467
150 H DTH 22 HN DTH 22 9.134 -12.810 5.213
151 HB DTH 22 HB DTH 22 7.276 -11.890 2.141
152 HG21 DTH 22 HG21 DTH 22 6.702 -10.912 4.939
153 HG22 DTH 22 HG22 DTH 22 5.476 -10.890 3.671
154 HG23 DTH 22 HG23 DTH 22 6.187 -12.420 4.184
155 HG1 DTH 22 HG1 DTH 22 7.285 -9.270 3.213
156 H ALA 23 HN ALA 23 11.028 -12.803 3.433
157 HA ALA 23 HA ALA 23 12.520 -11.355 1.613
158 HB1 ALA 23 HB1 ALA 23 12.958 -13.585 3.081
159 HB2 ALA 23 HB2 ALA 23 12.888 -14.266 1.455
160 HB3 ALA 23 HB3 ALA 23 14.048 -12.991 1.828
161 H ALA 24 HN ALA 24 9.928 -13.604 1.041
162 HA ALA 24 HA ALA 24 10.364 -14.343 -1.589
163 HB1 ALA 24 HB1 ALA 24 7.661 -13.677 -0.440
164 HB2 ALA 24 HB2 ALA 24 8.035 -14.818 -1.733
165 HB3 ALA 24 HB3 ALA 24 8.540 -15.164 -0.079
166 H DTH 25 HN DTH 25 9.354 -11.279 -0.293
167 HB DTH 25 HB DTH 25 8.062 -10.754 -3.732
168 HG21 DTH 25 HG21 DTH 25 6.909 -10.728 -1.078
169 HG22 DTH 25 HG22 DTH 25 5.832 -9.935 -2.228
170 HG23 DTH 25 HG23 DTH 25 6.365 -11.591 -2.517
171 HG1 DTH 25 HG1 DTH 25 7.010 -8.333 -2.735
172 H GLY 26 HN GLY 26 11.540 -10.514 -1.501
173 HA2 GLY 26 HA1 GLY 26 12.831 -8.635 -3.108
174 HA3 GLY 26 HA2 GLY 26 13.553 -10.130 -2.534
175 H ALA 27 HN ALA 27 11.314 -11.601 -3.993
176 HA ALA 27 HA ALA 27 12.725 -12.344 -6.261
177 HB1 ALA 27 HB1 ALA 27 10.411 -13.167 -7.058
178 HB2 ALA 27 HB2 ALA 27 11.096 -13.852 -5.584
179 HB3 ALA 27 HB3 ALA 27 9.847 -12.610 -5.482
180 H DSN 28 HN DSN 28 10.595 -9.654 -5.757
181 HB2 DSN 28 HB2 DSN 28 10.038 -9.839 -9.360
182 HB3 DSN 28 HB1 DSN 28 8.710 -9.690 -8.209
183 HG DSN 28 HG DSN 28 8.031 -8.128 -9.422
184 H THR 29 HN THR 29 12.859 -8.612 -6.709
185 HA THR 29 HA THR 29 13.960 -6.759 -8.610
186 HB THR 29 HB THR 29 16.014 -6.931 -7.398
187 HG1 THR 29 HG1 THR 29 16.087 -8.582 -5.647
188 HG21 THR 29 HG21 THR 29 14.269 -7.297 -5.060
189 HG22 THR 29 HG22 THR 29 13.688 -6.123 -6.242
190 HG23 THR 29 HG23 THR 29 15.283 -5.929 -5.516
191 H ALA 30 HN ALA 30 13.741 -10.197 -8.310
192 HA ALA 30 HA ALA 30 15.904 -10.775 -10.122
193 HB1 ALA 30 HB1 ALA 30 13.805 -12.419 -8.761
194 HB2 ALA 30 HB2 ALA 30 14.791 -13.106 -10.052
195 HB3 ALA 30 HB3 ALA 30 15.560 -12.485 -8.592
196 H SER 31 HN SER 31 12.555 -10.022 -10.385
197 HA SER 31 HA SER 31 12.727 -10.203 -13.279
198 HB2 SER 31 HB1 SER 31 11.870 -12.428 -12.531
199 HB3 SER 31 HB2 SER 31 10.497 -11.607 -11.790
200 HG SER 31 HG SER 31 11.188 -11.642 -14.542
Start of MODEL 11
1 H1 ASP 1 HN ASP 1 2.722 -0.521 1.802
2 HA ASP 1 HA ASP 1 1.468 -0.629 -0.588
3 HB2 ASP 1 HB1 ASP 1 3.531 0.663 -1.495
4 HB3 ASP 1 HB2 ASP 1 2.605 1.364 -0.171
5 H TRP 2 HN TRP 2 1.625 -1.677 -2.487
6 HA TRP 2 HA TRP 2 3.036 -4.090 -2.674
7 HB2 TRP 2 HB1 TRP 2 1.043 -3.752 -3.985
8 HB3 TRP 2 HB2 TRP 2 1.766 -2.378 -4.818
9 HD1 TRP 2 HD1 TRP 2 1.921 -6.212 -4.686
10 HE1 TRP 2 HE1 TRP 2 3.016 -7.058 -6.856
11 HE3 TRP 2 HE3 TRP 2 3.325 -1.723 -6.689
12 HZ2 TRP 2 HZ2 TRP 2 4.306 -5.967 -9.117
13 HZ3 TRP 2 HZ3 TRP 2 4.485 -1.712 -8.859
14 HH2 TRP 2 HH2 TRP 2 4.965 -3.791 -10.046
15 H THR 3 HN THR 3 5.155 -4.349 -2.842
16 HA THR 3 HA THR 3 6.673 -3.209 -4.942
17 HB THR 3 HB THR 3 8.259 -2.214 -2.903
18 HG1 THR 3 HG1 THR 3 6.714 -0.730 -1.870
19 HG21 THR 3 HG21 THR 3 6.884 -0.013 -3.889
20 HG22 THR 3 HG22 THR 3 6.756 -1.215 -5.174
21 HG23 THR 3 HG23 THR 3 8.341 -0.732 -4.573
22 H CYS 4 HN CYS 4 8.281 -4.573 -5.393
23 HA CYS 4 HA CYS 4 8.732 -6.885 -3.834
24 HB2 CYS 4 HB1 CYS 4 9.968 -5.699 -6.281
25 HB3 CYS 4 HB2 CYS 4 10.824 -6.996 -5.454
26 H TRP 5 HN TRP 5 10.198 -3.750 -3.876
27 HA TRP 5 HA TRP 5 12.630 -4.496 -2.574
28 HB2 TRP 5 HB1 TRP 5 11.252 -1.876 -3.106
29 HB3 TRP 5 HB2 TRP 5 12.685 -1.953 -2.086
30 HD1 TRP 5 HD1 TRP 5 14.922 -3.108 -3.357
31 HE1 TRP 5 HE1 TRP 5 15.705 -2.766 -5.785
32 HE3 TRP 5 HE3 TRP 5 10.551 -1.403 -5.387
33 HZ2 TRP 5 HZ2 TRP 5 14.614 -1.889 -8.236
34 HZ3 TRP 5 HZ3 TRP 5 10.505 -0.834 -7.781
35 HH2 TRP 5 HH2 TRP 5 12.496 -1.072 -9.174
36 H SER 6 HN SER 6 9.445 -3.501 -1.519
37 HA SER 6 HA SER 6 10.037 -2.849 1.142
38 HB2 SER 6 HB1 SER 6 7.718 -2.937 1.542
39 HB3 SER 6 HB2 SER 6 7.839 -2.520 -0.167
40 HG SER 6 HG SER 6 6.455 -4.159 -0.223
41 H CYS 7 HN CYS 7 9.969 -5.871 -0.473
42 HA CYS 7 HA CYS 7 9.400 -7.551 1.742
43 HB2 CYS 7 HB1 CYS 7 10.661 -7.979 -0.950
44 HB3 CYS 7 HB2 CYS 7 10.657 -9.271 0.246
45 H LEU 8 HN LEU 8 12.072 -5.643 0.999
46 HA LEU 8 HA LEU 8 14.218 -7.198 1.909
47 HB2 LEU 8 HB1 LEU 8 15.461 -5.215 1.998
48 HB3 LEU 8 HB2 LEU 8 14.293 -4.976 0.701
49 HG LEU 8 HG LEU 8 12.925 -3.824 2.670
50 HD11 LEU 8 HD11 LEU 8 14.086 -3.561 4.540
51 HD12 LEU 8 HD12 LEU 8 15.195 -2.515 3.654
52 HD13 LEU 8 HD13 LEU 8 15.533 -4.240 3.795
53 HD21 LEU 8 HD21 LEU 8 14.294 -2.990 0.443
54 HD22 LEU 8 HD22 LEU 8 15.008 -2.014 1.727
55 HD23 LEU 8 HD23 LEU 8 13.265 -1.979 1.458
56 H VAL 9 HN VAL 9 11.699 -5.543 3.613
57 HA VAL 9 HA VAL 9 12.948 -5.297 6.133
58 HB VAL 9 HB VAL 9 10.894 -4.084 5.579
59 HG11 VAL 9 HG11 VAL 9 9.212 -6.491 6.014
60 HG12 VAL 9 HG12 VAL 9 8.895 -5.044 5.054
61 HG13 VAL 9 HG13 VAL 9 9.975 -6.296 4.436
62 HG21 VAL 9 HG21 VAL 9 9.784 -5.596 7.779
63 HG22 VAL 9 HG22 VAL 9 11.512 -5.317 7.994
64 HG23 VAL 9 HG23 VAL 9 10.422 -3.952 7.752
65 H CYS 10 HN CYS 10 11.480 -7.970 4.481
66 HA CYS 10 HA CYS 10 10.957 -9.611 6.728
67 HB2 CYS 10 HB1 CYS 10 11.344 -10.166 3.796
68 HB3 CYS 10 HB2 CYS 10 11.112 -11.476 4.949
69 H ALA 11 HN ALA 11 13.825 -8.923 4.886
70 HA ALA 11 HA ALA 11 15.366 -11.164 5.645
71 HB1 ALA 11 HB1 ALA 11 16.958 -10.233 4.381
72 HB2 ALA 11 HB2 ALA 11 15.726 -9.044 3.953
73 HB3 ALA 11 HB3 ALA 11 16.876 -8.697 5.245
74 H ALA 12 HN ALA 12 14.264 -8.496 7.421
75 HA ALA 12 HA ALA 12 16.422 -8.242 9.264
76 HB1 ALA 12 HB1 ALA 12 13.607 -7.529 9.971
77 HB2 ALA 12 HB2 ALA 12 15.112 -6.706 10.386
78 HB3 ALA 12 HB3 ALA 12 14.474 -6.603 8.745
79 H CYS 13 HN CYS 13 14.121 -10.646 8.793
80 HA CYS 13 HA CYS 13 13.725 -11.423 11.521
81 HB2 CYS 13 HB1 CYS 13 13.185 -12.771 8.879
82 HB3 CYS 13 HB2 CYS 13 12.885 -13.574 10.417
83 H SER 14 HN SER 14 16.077 -11.316 12.034
84 HA SER 14 HA SER 14 17.647 -13.582 11.087
85 HB2 SER 14 HB1 SER 14 18.633 -11.269 11.307
86 HB3 SER 14 HB2 SER 14 18.480 -11.442 13.055
87 HG SER 14 HG SER 14 20.054 -12.897 13.070
88 H VAL 15 HN VAL 15 15.901 -12.510 13.895
89 HA VAL 15 HA VAL 15 17.037 -14.506 15.648
90 HB VAL 15 HB VAL 15 14.610 -12.763 16.091
91 HG11 VAL 15 HG11 VAL 15 15.243 -13.190 18.515
92 HG12 VAL 15 HG12 VAL 15 14.529 -14.542 17.633
93 HG13 VAL 15 HG13 VAL 15 16.271 -14.488 17.907
94 HG21 VAL 15 HG21 VAL 15 16.180 -11.133 15.967
95 HG22 VAL 15 HG22 VAL 15 16.495 -11.643 17.626
96 HG23 VAL 15 HG23 VAL 15 17.512 -12.236 16.313
97 H GLU 16 HN GLU 16 14.493 -14.341 13.371
98 HA GLU 16 HA GLU 16 13.676 -17.048 14.070
99 HB2 GLU 16 HB1 GLU 16 11.918 -14.647 14.224
100 HB3 GLU 16 HB2 GLU 16 11.225 -16.133 13.591
101 HG2 GLU 16 HG1 GLU 16 12.541 -15.803 16.277
102 HG3 GLU 16 HG2 GLU 16 10.807 -15.903 15.973
103 H LEU 17 HN LEU 17 12.166 -17.945 12.364
104 HA LEU 17 HA LEU 17 13.153 -17.096 9.742
105 HB2 LEU 17 HB1 LEU 17 13.286 -19.502 10.662
106 HB3 LEU 17 HB2 LEU 17 11.567 -19.582 10.279
107 HG LEU 17 HG LEU 17 12.407 -18.805 7.903
108 HD11 LEU 17 HD11 LEU 17 14.654 -18.538 7.993
109 HD12 LEU 17 HD12 LEU 17 14.622 -20.267 7.650
110 HD13 LEU 17 HD13 LEU 17 14.854 -19.701 9.304
111 HD21 LEU 17 HD21 LEU 17 12.696 -21.250 7.335
112 HD22 LEU 17 HD22 LEU 17 11.201 -20.821 8.167
113 HD23 LEU 17 HD23 LEU 17 12.521 -21.580 9.058
114 H LEU 18 HN LEU 18 10.409 -16.864 11.688
115 HA LEU 18 HA LEU 18 8.293 -17.074 9.895
116 HB2 LEU 18 HB1 LEU 18 8.327 -16.660 12.452
117 HB3 LEU 18 HB2 LEU 18 8.360 -14.955 12.009
118 HG LEU 18 HG LEU 18 6.238 -15.442 10.670
119 HD11 LEU 18 HD11 LEU 18 5.380 -17.556 12.394
120 HD12 LEU 18 HD12 LEU 18 6.823 -18.058 11.514
121 HD13 LEU 18 HD13 LEU 18 5.405 -17.494 10.631
122 HD21 LEU 18 HD21 LEU 18 5.687 -15.878 13.551
123 HD22 LEU 18 HD22 LEU 18 4.992 -14.710 12.426
124 HD23 LEU 18 HD23 LEU 18 6.598 -14.436 13.102
125 H DSG 19 HN DAS 19 10.006 -14.096 10.867
126 HB2 DSG 19 HB2 DAS 19 8.512 -11.266 8.368
127 HB3 DSG 19 HB1 DAS 19 7.727 -12.838 8.493
128 HD21 DSG 19 HD21 DAS 19 6.102 -12.763 9.845
129 HD22 DSG 19 HD22 DAS 19 6.061 -11.917 11.351
130 H LEU 20 HN LEU 20 11.189 -14.782 8.576
131 HA LEU 20 HA LEU 20 12.447 -13.758 6.268
132 HB2 LEU 20 HB1 LEU 20 13.004 -15.796 7.838
133 HB3 LEU 20 HB2 LEU 20 12.071 -16.690 6.640
134 HG LEU 20 HG LEU 20 13.740 -15.476 4.975
135 HD11 LEU 20 HD11 LEU 20 14.930 -14.164 6.574
136 HD12 LEU 20 HD12 LEU 20 16.009 -15.442 6.016
137 HD13 LEU 20 HD13 LEU 20 15.228 -15.574 7.592
138 HD21 LEU 20 HD21 LEU 20 13.617 -18.029 6.287
139 HD22 LEU 20 HD22 LEU 20 15.293 -17.593 5.953
140 HD23 LEU 20 HD23 LEU 20 14.115 -17.638 4.640
141 H VAL 21 HN VAL 21 9.333 -15.045 6.771
142 HA VAL 21 HA VAL 21 8.795 -16.227 4.283
143 HB VAL 21 HB VAL 21 7.330 -16.377 6.309
144 HG11 VAL 21 HG11 VAL 21 6.127 -14.640 7.120
145 HG12 VAL 21 HG12 VAL 21 7.436 -13.699 6.401
146 HG13 VAL 21 HG13 VAL 21 5.913 -13.903 5.533
147 HG21 VAL 21 HG21 VAL 21 6.678 -16.495 3.640
148 HG22 VAL 21 HG22 VAL 21 5.675 -17.067 4.972
149 HG23 VAL 21 HG23 VAL 21 5.423 -15.452 4.309
150 H DTH 22 HN DTH 22 8.890 -12.890 5.302
151 HB DTH 22 HB DTH 22 6.879 -12.400 2.228
152 HG21 DTH 22 HG21 DTH 22 5.383 -10.870 4.074
153 HG22 DTH 22 HG22 DTH 22 5.392 -12.624 3.897
154 HG23 DTH 22 HG23 DTH 22 6.497 -11.847 5.030
155 HG1 DTH 22 HG1 DTH 22 6.825 -9.679 3.041
156 H ALA 23 HN ALA 23 10.615 -13.109 3.371
157 HA ALA 23 HA ALA 23 12.085 -11.727 1.491
158 HB1 ALA 23 HB1 ALA 23 13.000 -13.532 2.860
159 HB2 ALA 23 HB2 ALA 23 12.069 -14.711 1.935
160 HB3 ALA 23 HB3 ALA 23 13.349 -13.786 1.150
161 H ALA 24 HN ALA 24 9.409 -13.901 1.009
162 HA ALA 24 HA ALA 24 9.744 -14.643 -1.639
163 HB1 ALA 24 HB1 ALA 24 7.675 -14.751 0.279
164 HB2 ALA 24 HB2 ALA 24 6.985 -14.074 -1.197
165 HB3 ALA 24 HB3 ALA 24 7.802 -15.636 -1.241
166 H DTH 25 HN DTH 25 8.652 -11.600 -0.287
167 HB DTH 25 HB DTH 25 7.482 -11.042 -3.773
168 HG21 DTH 25 HG21 DTH 25 5.117 -10.806 -2.786
169 HG22 DTH 25 HG22 DTH 25 6.130 -12.095 -2.136
170 HG23 DTH 25 HG23 DTH 25 5.921 -10.597 -1.231
171 HG1 DTH 25 HG1 DTH 25 6.853 -9.108 -4.339
172 H GLY 26 HN GLY 26 10.841 -10.923 -1.518
173 HA2 GLY 26 HA1 GLY 26 12.126 -8.904 -3.021
174 HA3 GLY 26 HA2 GLY 26 12.884 -10.366 -2.406
175 H ALA 27 HN ALA 27 10.835 -11.988 -3.921
176 HA ALA 27 HA ALA 27 12.371 -12.584 -6.168
177 HB1 ALA 27 HB1 ALA 27 10.808 -14.176 -6.655
178 HB2 ALA 27 HB2 ALA 27 10.409 -13.870 -4.964
179 HB3 ALA 27 HB3 ALA 27 9.450 -13.129 -6.244
180 H DSN 28 HN DSN 28 10.009 -10.120 -5.671
181 HB2 DSN 28 HB2 DSN 28 9.383 -10.528 -9.172
182 HB3 DSN 28 HB1 DSN 28 8.007 -10.264 -8.102
183 HG DSN 28 HG DSN 28 8.966 -8.670 -10.200
184 H THR 29 HN THR 29 11.880 -8.268 -6.485
185 HA THR 29 HA THR 29 12.816 -6.783 -8.773
186 HB THR 29 HB THR 29 13.179 -5.804 -6.602
187 HG1 THR 29 HG1 THR 29 14.835 -5.445 -8.144
188 HG21 THR 29 HG21 THR 29 14.378 -8.465 -5.988
189 HG22 THR 29 HG22 THR 29 13.305 -7.460 -5.013
190 HG23 THR 29 HG23 THR 29 15.011 -7.040 -5.165
191 H ALA 30 HN ALA 30 13.338 -9.905 -7.408
192 HA ALA 30 HA ALA 30 15.898 -10.349 -8.647
193 HB1 ALA 30 HB1 ALA 30 15.742 -12.582 -7.790
194 HB2 ALA 30 HB2 ALA 30 15.184 -11.468 -6.542
195 HB3 ALA 30 HB3 ALA 30 14.016 -12.395 -7.483
196 H SER 31 HN SER 31 12.577 -10.706 -9.537
197 HA SER 31 HA SER 31 13.092 -12.559 -11.692
198 HB2 SER 31 HB1 SER 31 10.937 -12.596 -10.497
199 HB3 SER 31 HB2 SER 31 10.604 -10.955 -11.050
200 HG SER 31 HG SER 31 11.223 -12.880 -12.973
Start of MODEL 12
1 H1 ASP 1 HN ASP 1 2.387 -2.333 1.337
2 HA ASP 1 HA ASP 1 0.789 -2.113 -1.096
3 HB2 ASP 1 HB1 ASP 1 3.300 -0.481 -0.908
4 HB3 ASP 1 HB2 ASP 1 1.943 -0.307 -2.017
5 H TRP 2 HN TRP 2 1.361 -3.661 -2.463
6 HA TRP 2 HA TRP 2 3.477 -5.440 -1.972
7 HB2 TRP 2 HB1 TRP 2 1.926 -4.961 -4.526
8 HB3 TRP 2 HB2 TRP 2 2.968 -6.348 -4.222
9 HD1 TRP 2 HD1 TRP 2 2.147 -7.646 -1.714
10 HE1 TRP 2 HE1 TRP 2 -0.250 -8.416 -1.179
11 HE3 TRP 2 HE3 TRP 2 -0.410 -4.680 -5.000
12 HZ2 TRP 2 HZ2 TRP 2 -2.877 -7.842 -2.037
13 HZ3 TRP 2 HZ3 TRP 2 -2.863 -4.851 -5.081
14 HH2 TRP 2 HH2 TRP 2 -4.069 -6.401 -3.630
15 H THR 3 HN THR 3 5.562 -5.450 -2.540
16 HA THR 3 HA THR 3 6.617 -4.176 -4.835
17 HB THR 3 HB THR 3 8.095 -2.696 -3.022
18 HG1 THR 3 HG1 THR 3 6.645 -1.697 -1.678
19 HG21 THR 3 HG21 THR 3 7.471 -0.933 -4.324
20 HG22 THR 3 HG22 THR 3 5.764 -1.378 -4.300
21 HG23 THR 3 HG23 THR 3 6.885 -2.236 -5.357
22 H CYS 4 HN CYS 4 8.620 -4.942 -5.293
23 HA CYS 4 HA CYS 4 9.633 -7.105 -3.771
24 HB2 CYS 4 HB1 CYS 4 10.776 -5.547 -6.092
25 HB3 CYS 4 HB2 CYS 4 11.586 -6.939 -5.381
26 H TRP 5 HN TRP 5 10.234 -3.704 -3.744
27 HA TRP 5 HA TRP 5 12.799 -3.795 -2.501
28 HB2 TRP 5 HB1 TRP 5 10.752 -1.675 -3.010
29 HB3 TRP 5 HB2 TRP 5 12.039 -1.352 -1.851
30 HD1 TRP 5 HD1 TRP 5 14.413 -0.804 -2.798
31 HE1 TRP 5 HE1 TRP 5 15.354 -0.478 -5.171
32 HE3 TRP 5 HE3 TRP 5 10.452 -2.586 -5.494
33 HZ2 TRP 5 HZ2 TRP 5 14.527 -0.917 -7.834
34 HZ3 TRP 5 HZ3 TRP 5 10.606 -2.598 -7.950
35 HH2 TRP 5 HH2 TRP 5 12.603 -1.780 -9.094
36 H SER 6 HN SER 6 9.483 -3.489 -1.319
37 HA SER 6 HA SER 6 10.116 -3.006 1.383
38 HB2 SER 6 HB1 SER 6 7.901 -2.524 0.870
39 HB3 SER 6 HB2 SER 6 7.687 -4.007 -0.061
40 HG SER 6 HG SER 6 6.637 -4.025 2.013
41 H CYS 7 HN CYS 7 10.202 -5.862 -0.531
42 HA CYS 7 HA CYS 7 9.900 -7.790 1.520
43 HB2 CYS 7 HB1 CYS 7 11.202 -7.893 -1.200
44 HB3 CYS 7 HB2 CYS 7 11.110 -9.295 -0.139
45 H LEU 8 HN LEU 8 12.378 -5.598 0.849
46 HA LEU 8 HA LEU 8 14.657 -7.078 1.594
47 HB2 LEU 8 HB1 LEU 8 15.109 -5.080 0.506
48 HB3 LEU 8 HB2 LEU 8 13.980 -4.168 1.505
49 HG LEU 8 HG LEU 8 16.290 -5.292 2.939
50 HD11 LEU 8 HD11 LEU 8 16.880 -2.844 1.373
51 HD12 LEU 8 HD12 LEU 8 17.005 -4.398 0.549
52 HD13 LEU 8 HD13 LEU 8 17.968 -4.086 1.993
53 HD21 LEU 8 HD21 LEU 8 15.478 -2.427 2.910
54 HD22 LEU 8 HD22 LEU 8 16.048 -3.427 4.247
55 HD23 LEU 8 HD23 LEU 8 14.399 -3.611 3.648
56 H VAL 9 HN VAL 9 12.221 -5.376 3.447
57 HA VAL 9 HA VAL 9 13.578 -5.312 5.921
58 HB VAL 9 HB VAL 9 11.521 -3.992 5.367
59 HG11 VAL 9 HG11 VAL 9 10.453 -6.456 4.735
60 HG12 VAL 9 HG12 VAL 9 9.682 -6.054 6.271
61 HG13 VAL 9 HG13 VAL 9 9.558 -4.946 4.904
62 HG21 VAL 9 HG21 VAL 9 12.439 -4.443 7.701
63 HG22 VAL 9 HG22 VAL 9 10.764 -3.901 7.591
64 HG23 VAL 9 HG23 VAL 9 11.123 -5.605 7.871
65 H CYS 10 HN CYS 10 12.109 -7.865 4.180
66 HA CYS 10 HA CYS 10 11.378 -9.550 6.335
67 HB2 CYS 10 HB1 CYS 10 12.134 -10.233 3.486
68 HB3 CYS 10 HB2 CYS 10 11.406 -11.357 4.629
69 H ALA 11 HN ALA 11 14.396 -8.868 4.755
70 HA ALA 11 HA ALA 11 15.830 -11.165 5.561
71 HB1 ALA 11 HB1 ALA 11 17.126 -10.162 4.038
72 HB2 ALA 11 HB2 ALA 11 16.451 -8.568 4.374
73 HB3 ALA 11 HB3 ALA 11 17.736 -9.214 5.394
74 H ALA 12 HN ALA 12 14.643 -8.520 7.326
75 HA ALA 12 HA ALA 12 16.645 -8.384 9.348
76 HB1 ALA 12 HB1 ALA 12 13.773 -7.476 9.308
77 HB2 ALA 12 HB2 ALA 12 14.893 -7.154 10.633
78 HB3 ALA 12 HB3 ALA 12 15.214 -6.498 9.028
79 H CYS 13 HN CYS 13 14.061 -10.544 8.697
80 HA CYS 13 HA CYS 13 13.659 -11.450 11.384
81 HB2 CYS 13 HB1 CYS 13 12.922 -12.703 8.731
82 HB3 CYS 13 HB2 CYS 13 12.401 -13.306 10.300
83 H SER 14 HN SER 14 15.778 -11.901 12.114
84 HA SER 14 HA SER 14 17.096 -14.208 10.858
85 HB2 SER 14 HB1 SER 14 18.469 -12.167 11.136
86 HB3 SER 14 HB2 SER 14 18.205 -12.242 12.878
87 HG SER 14 HG SER 14 20.160 -13.328 11.670
88 H VAL 15 HN VAL 15 15.619 -13.065 13.803
89 HA VAL 15 HA VAL 15 16.455 -15.349 15.363
90 HB VAL 15 HB VAL 15 14.344 -13.307 16.061
91 HG11 VAL 15 HG11 VAL 15 15.676 -15.526 17.492
92 HG12 VAL 15 HG12 VAL 15 15.427 -14.032 18.398
93 HG13 VAL 15 HG13 VAL 15 14.051 -14.869 17.677
94 HG21 VAL 15 HG21 VAL 15 17.330 -13.239 16.395
95 HG22 VAL 15 HG22 VAL 15 16.280 -12.030 15.656
96 HG23 VAL 15 HG23 VAL 15 16.247 -12.278 17.402
97 H GLU 16 HN GLU 16 13.902 -14.589 13.221
98 HA GLU 16 HA GLU 16 12.643 -17.155 13.801
99 HB2 GLU 16 HB1 GLU 16 11.048 -14.594 13.616
100 HB3 GLU 16 HB2 GLU 16 10.397 -16.212 13.831
101 HG2 GLU 16 HG1 GLU 16 10.335 -15.475 15.978
102 HG3 GLU 16 HG2 GLU 16 11.944 -16.197 15.955
103 H LEU 17 HN LEU 17 11.222 -17.888 12.076
104 HA LEU 17 HA LEU 17 12.218 -17.021 9.483
105 HB2 LEU 17 HB1 LEU 17 12.083 -19.432 10.167
106 HB3 LEU 17 HB2 LEU 17 10.328 -19.283 10.098
107 HG LEU 17 HG LEU 17 11.137 -18.394 7.615
108 HD11 LEU 17 HD11 LEU 17 12.995 -19.405 6.917
109 HD12 LEU 17 HD12 LEU 17 12.539 -20.938 7.659
110 HD13 LEU 17 HD13 LEU 17 13.346 -19.699 8.621
111 HD21 LEU 17 HD21 LEU 17 10.247 -20.564 6.835
112 HD22 LEU 17 HD22 LEU 17 9.215 -19.790 8.039
113 HD23 LEU 17 HD23 LEU 17 10.255 -21.138 8.503
114 H LEU 18 HN LEU 18 9.700 -16.199 11.459
115 HA LEU 18 HA LEU 18 7.473 -16.093 9.777
116 HB2 LEU 18 HB1 LEU 18 8.317 -14.335 12.069
117 HB3 LEU 18 HB2 LEU 18 6.759 -14.180 11.260
118 HG LEU 18 HG LEU 18 7.675 -16.706 12.624
119 HD11 LEU 18 HD11 LEU 18 7.543 -14.835 14.226
120 HD12 LEU 18 HD12 LEU 18 6.313 -16.066 14.510
121 HD13 LEU 18 HD13 LEU 18 5.877 -14.550 13.723
122 HD21 LEU 18 HD21 LEU 18 5.792 -17.601 11.861
123 HD22 LEU 18 HD22 LEU 18 5.571 -16.164 10.862
124 HD23 LEU 18 HD23 LEU 18 4.840 -16.245 12.466
125 H DSG 19 HN DAS 19 9.683 -13.404 10.581
126 HB2 DSG 19 HB2 DAS 19 8.643 -10.413 8.115
127 HB3 DSG 19 HB1 DAS 19 7.797 -11.917 7.763
128 HD21 DSG 19 HD21 DAS 19 8.580 -9.618 10.297
129 HD22 DSG 19 HD22 DAS 19 7.224 -9.984 11.304
130 H LEU 20 HN LEU 20 10.859 -14.336 8.443
131 HA LEU 20 HA LEU 20 12.368 -13.618 6.174
132 HB2 LEU 20 HB1 LEU 20 11.900 -15.994 7.775
133 HB3 LEU 20 HB2 LEU 20 12.099 -16.372 6.065
134 HG LEU 20 HG LEU 20 14.076 -14.879 7.789
135 HD11 LEU 20 HD11 LEU 20 14.653 -17.499 6.521
136 HD12 LEU 20 HD12 LEU 20 13.645 -17.483 7.967
137 HD13 LEU 20 HD13 LEU 20 15.271 -16.802 8.019
138 HD21 LEU 20 HD21 LEU 20 14.696 -14.040 5.798
139 HD22 LEU 20 HD22 LEU 20 13.822 -15.271 4.887
140 HD23 LEU 20 HD23 LEU 20 15.413 -15.634 5.559
141 H VAL 21 HN VAL 21 9.094 -14.489 6.527
142 HA VAL 21 HA VAL 21 8.569 -15.757 4.081
143 HB VAL 21 HB VAL 21 6.973 -15.586 6.007
144 HG11 VAL 21 HG11 VAL 21 5.932 -13.664 6.607
145 HG12 VAL 21 HG12 VAL 21 7.405 -12.947 5.951
146 HG13 VAL 21 HG13 VAL 21 5.942 -13.015 4.967
147 HG21 VAL 21 HG21 VAL 21 6.464 -15.612 3.227
148 HG22 VAL 21 HG22 VAL 21 5.488 -16.307 4.521
149 HG23 VAL 21 HG23 VAL 21 5.192 -14.653 3.984
150 H DTH 22 HN DTH 22 9.023 -12.396 4.906
151 HB DTH 22 HB DTH 22 7.270 -11.876 1.696
152 HG21 DTH 22 HG21 DTH 22 6.805 -11.118 4.411
153 HG22 DTH 22 HG22 DTH 22 5.955 -9.977 3.369
154 HG23 DTH 22 HG23 DTH 22 5.638 -11.706 3.228
155 HG1 DTH 22 HG1 DTH 22 7.002 -9.870 0.917
156 H ALA 23 HN ALA 23 10.815 -12.966 3.106
157 HA ALA 23 HA ALA 23 12.570 -11.914 1.264
158 HB1 ALA 23 HB1 ALA 23 13.601 -14.086 1.157
159 HB2 ALA 23 HB2 ALA 23 13.062 -13.786 2.809
160 HB3 ALA 23 HB3 ALA 23 12.132 -14.855 1.759
161 H ALA 24 HN ALA 24 9.665 -13.759 0.705
162 HA ALA 24 HA ALA 24 10.084 -14.631 -1.905
163 HB1 ALA 24 HB1 ALA 24 7.814 -15.060 -2.009
164 HB2 ALA 24 HB2 ALA 24 8.121 -15.072 -0.272
165 HB3 ALA 24 HB3 ALA 24 7.398 -13.653 -1.029
166 H DTH 25 HN DTH 25 9.146 -11.477 -0.683
167 HB DTH 25 HB DTH 25 8.281 -10.903 -4.268
168 HG21 DTH 25 HG21 DTH 25 6.464 -10.234 -1.938
169 HG22 DTH 25 HG22 DTH 25 5.898 -10.714 -3.538
170 HG23 DTH 25 HG23 DTH 25 6.832 -11.843 -2.557
171 HG1 DTH 25 HG1 DTH 25 7.254 -8.454 -3.262
172 H GLY 26 HN GLY 26 11.467 -10.879 -1.690
173 HA2 GLY 26 HA1 GLY 26 13.030 -9.030 -3.062
174 HA3 GLY 26 HA2 GLY 26 13.591 -10.603 -2.514
175 H ALA 27 HN ALA 27 11.587 -11.995 -4.199
176 HA ALA 27 HA ALA 27 13.166 -12.504 -6.436
177 HB1 ALA 27 HB1 ALA 27 10.486 -13.245 -5.523
178 HB2 ALA 27 HB2 ALA 27 10.684 -13.255 -7.276
179 HB3 ALA 27 HB3 ALA 27 11.749 -14.230 -6.263
180 H DSN 28 HN DSN 28 10.853 -10.004 -5.856
181 HB2 DSN 28 HB2 DSN 28 9.340 -8.609 -9.292
182 HB3 DSN 28 HB1 DSN 28 10.374 -10.023 -9.493
183 HG DSN 28 HG DSN 28 8.850 -11.157 -8.624
184 H THR 29 HN THR 29 12.932 -8.435 -6.564
185 HA THR 29 HA THR 29 13.946 -6.623 -8.552
186 HB THR 29 HB THR 29 15.885 -6.387 -7.151
187 HG1 THR 29 HG1 THR 29 14.922 -8.462 -5.471
188 HG21 THR 29 HG21 THR 29 13.324 -5.824 -6.319
189 HG22 THR 29 HG22 THR 29 14.802 -5.227 -5.565
190 HG23 THR 29 HG23 THR 29 14.009 -6.669 -4.932
191 H ALA 30 HN ALA 30 14.652 -9.935 -7.525
192 HA ALA 30 HA ALA 30 16.755 -10.232 -9.490
193 HB1 ALA 30 HB1 ALA 30 17.197 -11.420 -7.536
194 HB2 ALA 30 HB2 ALA 30 15.550 -12.044 -7.429
195 HB3 ALA 30 HB3 ALA 30 16.650 -12.662 -8.662
196 H SER 31 HN SER 31 14.755 -9.515 -10.995
197 HA SER 31 HA SER 31 13.175 -11.776 -11.876
198 HB2 SER 31 HB1 SER 31 12.095 -9.616 -11.890
199 HB3 SER 31 HB2 SER 31 13.380 -8.929 -12.882
200 HG SER 31 HG SER 31 11.315 -10.685 -13.599
Start of MODEL 13
1 H1 ASP 1 HN ASP 1 1.919 -0.564 0.877
2 HA ASP 1 HA ASP 1 1.451 -0.096 -1.914
3 HB2 ASP 1 HB1 ASP 1 3.769 0.473 -0.072
4 HB3 ASP 1 HB2 ASP 1 3.842 0.814 -1.799
5 H TRP 2 HN TRP 2 1.503 -1.844 -3.202
6 HA TRP 2 HA TRP 2 3.097 -4.122 -2.820
7 HB2 TRP 2 HB1 TRP 2 2.038 -3.148 -5.476
8 HB3 TRP 2 HB2 TRP 2 2.395 -4.807 -5.006
9 HD1 TRP 2 HD1 TRP 2 0.652 -5.990 -3.289
10 HE1 TRP 2 HE1 TRP 2 -1.845 -5.539 -2.861
11 HE3 TRP 2 HE3 TRP 2 0.293 -1.346 -5.397
12 HZ2 TRP 2 HZ2 TRP 2 -3.720 -3.486 -3.352
13 HZ3 TRP 2 HZ3 TRP 2 -1.888 -0.207 -5.376
14 HH2 TRP 2 HH2 TRP 2 -3.852 -1.257 -4.375
15 H THR 3 HN THR 3 5.207 -4.396 -3.054
16 HA THR 3 HA THR 3 6.676 -3.411 -5.275
17 HB THR 3 HB THR 3 8.261 -2.199 -3.378
18 HG1 THR 3 HG1 THR 3 7.035 -1.355 -1.874
19 HG21 THR 3 HG21 THR 3 7.331 -1.531 -5.766
20 HG22 THR 3 HG22 THR 3 7.992 -0.322 -4.665
21 HG23 THR 3 HG23 THR 3 6.246 -0.531 -4.800
22 H CYS 4 HN CYS 4 8.371 -4.714 -5.611
23 HA CYS 4 HA CYS 4 8.874 -6.906 -3.900
24 HB2 CYS 4 HB1 CYS 4 10.076 -5.844 -6.413
25 HB3 CYS 4 HB2 CYS 4 11.007 -7.016 -5.486
26 H TRP 5 HN TRP 5 10.177 -3.719 -4.070
27 HA TRP 5 HA TRP 5 12.659 -4.237 -2.780
28 HB2 TRP 5 HB1 TRP 5 11.061 -1.807 -3.441
29 HB3 TRP 5 HB2 TRP 5 12.330 -1.658 -2.229
30 HD1 TRP 5 HD1 TRP 5 14.837 -1.747 -3.058
31 HE1 TRP 5 HE1 TRP 5 15.916 -1.649 -5.392
32 HE3 TRP 5 HE3 TRP 5 10.672 -2.549 -5.913
33 HZ2 TRP 5 HZ2 TRP 5 15.109 -1.879 -8.087
34 HZ3 TRP 5 HZ3 TRP 5 10.912 -2.595 -8.361
35 HH2 TRP 5 HH2 TRP 5 13.085 -2.266 -9.424
36 H SER 6 HN SER 6 9.411 -3.648 -1.668
37 HA SER 6 HA SER 6 9.972 -2.903 0.983
38 HB2 SER 6 HB1 SER 6 7.730 -2.810 -0.266
39 HB3 SER 6 HB2 SER 6 7.555 -4.510 0.168
40 HG SER 6 HG SER 6 8.148 -3.511 2.399
41 H CYS 7 HN CYS 7 10.153 -5.935 -0.632
42 HA CYS 7 HA CYS 7 9.868 -7.633 1.628
43 HB2 CYS 7 HB1 CYS 7 11.007 -7.983 -1.131
44 HB3 CYS 7 HB2 CYS 7 11.178 -9.255 0.075
45 H LEU 8 HN LEU 8 12.285 -5.480 0.737
46 HA LEU 8 HA LEU 8 14.632 -6.806 1.491
47 HB2 LEU 8 HB1 LEU 8 14.846 -4.767 0.336
48 HB3 LEU 8 HB2 LEU 8 13.833 -3.912 1.498
49 HG LEU 8 HG LEU 8 16.351 -5.045 2.551
50 HD11 LEU 8 HD11 LEU 8 17.077 -4.208 0.370
51 HD12 LEU 8 HD12 LEU 8 17.701 -3.216 1.687
52 HD13 LEU 8 HD13 LEU 8 16.339 -2.646 0.724
53 HD21 LEU 8 HD21 LEU 8 15.527 -3.769 4.192
54 HD22 LEU 8 HD22 LEU 8 14.464 -2.884 3.097
55 HD23 LEU 8 HD23 LEU 8 16.155 -2.409 3.261
56 H VAL 9 HN VAL 9 12.342 -4.891 3.401
57 HA VAL 9 HA VAL 9 13.773 -5.004 5.832
58 HB VAL 9 HB VAL 9 11.920 -3.408 5.368
59 HG11 VAL 9 HG11 VAL 9 10.497 -5.741 4.764
60 HG12 VAL 9 HG12 VAL 9 9.760 -5.096 6.232
61 HG13 VAL 9 HG13 VAL 9 9.886 -4.088 4.790
62 HG21 VAL 9 HG21 VAL 9 10.979 -4.774 7.796
63 HG22 VAL 9 HG22 VAL 9 12.713 -4.456 7.736
64 HG23 VAL 9 HG23 VAL 9 11.567 -3.126 7.575
65 H CYS 10 HN CYS 10 11.931 -7.344 4.150
66 HA CYS 10 HA CYS 10 11.044 -8.910 6.337
67 HB2 CYS 10 HB1 CYS 10 10.722 -8.971 3.582
68 HB3 CYS 10 HB2 CYS 10 11.640 -10.434 3.923
69 H ALA 11 HN ALA 11 14.101 -8.538 4.790
70 HA ALA 11 HA ALA 11 15.240 -11.038 5.519
71 HB1 ALA 11 HB1 ALA 11 17.307 -9.148 5.339
72 HB2 ALA 11 HB2 ALA 11 16.766 -10.279 4.098
73 HB3 ALA 11 HB3 ALA 11 16.084 -8.655 4.167
74 H ALA 12 HN ALA 12 14.307 -8.403 7.364
75 HA ALA 12 HA ALA 12 16.383 -8.383 9.313
76 HB1 ALA 12 HB1 ALA 12 13.613 -7.546 10.011
77 HB2 ALA 12 HB2 ALA 12 15.157 -6.787 10.403
78 HB3 ALA 12 HB3 ALA 12 14.488 -6.637 8.778
79 H CYS 13 HN CYS 13 14.048 -10.656 8.585
80 HA CYS 13 HA CYS 13 13.396 -11.535 11.228
81 HB2 CYS 13 HB1 CYS 13 12.837 -12.406 8.467
82 HB3 CYS 13 HB2 CYS 13 12.899 -13.704 9.655
83 H SER 14 HN SER 14 15.519 -11.664 12.161
84 HA SER 14 HA SER 14 17.113 -13.960 11.246
85 HB2 SER 14 HB1 SER 14 18.826 -12.855 12.900
86 HB3 SER 14 HB2 SER 14 18.589 -12.167 11.294
87 HG SER 14 HG SER 14 17.317 -10.575 12.175
88 H VAL 15 HN VAL 15 15.312 -12.646 13.914
89 HA VAL 15 HA VAL 15 16.236 -14.653 15.788
90 HB VAL 15 HB VAL 15 13.978 -12.672 16.107
91 HG11 VAL 15 HG11 VAL 15 15.491 -14.378 18.076
92 HG12 VAL 15 HG12 VAL 15 14.427 -13.049 18.538
93 HG13 VAL 15 HG13 VAL 15 13.772 -14.450 17.690
94 HG21 VAL 15 HG21 VAL 15 15.978 -11.432 15.700
95 HG22 VAL 15 HG22 VAL 15 15.660 -11.376 17.434
96 HG23 VAL 15 HG23 VAL 15 16.903 -12.454 16.800
97 H GLU 16 HN GLU 16 13.772 -14.331 13.441
98 HA GLU 16 HA GLU 16 12.627 -16.883 14.294
99 HB2 GLU 16 HB1 GLU 16 10.332 -16.047 13.878
100 HB3 GLU 16 HB2 GLU 16 11.112 -15.253 15.238
101 HG2 GLU 16 HG1 GLU 16 11.690 -13.371 13.697
102 HG3 GLU 16 HG2 GLU 16 10.683 -14.147 12.476
103 H LEU 17 HN LEU 17 12.099 -18.218 12.640
104 HA LEU 17 HA LEU 17 13.024 -17.539 10.022
105 HB2 LEU 17 HB1 LEU 17 12.978 -19.833 11.264
106 HB3 LEU 17 HB2 LEU 17 11.352 -19.948 10.593
107 HG LEU 17 HG LEU 17 12.361 -19.661 8.320
108 HD11 LEU 17 HD11 LEU 17 14.424 -18.714 8.484
109 HD12 LEU 17 HD12 LEU 17 14.897 -20.411 8.432
110 HD13 LEU 17 HD13 LEU 17 14.821 -19.564 9.977
111 HD21 LEU 17 HD21 LEU 17 13.578 -22.035 9.680
112 HD22 LEU 17 HD22 LEU 17 12.832 -21.923 8.086
113 HD23 LEU 17 HD23 LEU 17 11.828 -21.875 9.536
114 H LEU 18 HN LEU 18 10.047 -17.235 11.646
115 HA LEU 18 HA LEU 18 8.197 -17.569 9.580
116 HB2 LEU 18 HB1 LEU 18 8.223 -15.877 12.054
117 HB3 LEU 18 HB2 LEU 18 6.870 -15.820 10.926
118 HG LEU 18 HG LEU 18 7.793 -18.380 12.208
119 HD11 LEU 18 HD11 LEU 18 6.246 -16.157 13.353
120 HD12 LEU 18 HD12 LEU 18 7.148 -17.447 14.149
121 HD13 LEU 18 HD13 LEU 18 5.525 -17.756 13.534
122 HD21 LEU 18 HD21 LEU 18 4.986 -17.940 11.474
123 HD22 LEU 18 HD22 LEU 18 6.025 -19.341 11.211
124 HD23 LEU 18 HD23 LEU 18 6.112 -17.960 10.117
125 H DSG 19 HN DAS 19 9.675 -14.533 10.738
126 HB2 DSG 19 HB2 DAS 19 8.428 -11.591 8.369
127 HB3 DSG 19 HB1 DAS 19 7.775 -13.163 7.918
128 HD21 DSG 19 HD21 DAS 19 7.466 -10.570 9.968
129 HD22 DSG 19 HD22 DAS 19 6.438 -11.287 11.158
130 H LEU 20 HN LEU 20 11.193 -15.163 8.596
131 HA LEU 20 HA LEU 20 12.662 -14.186 6.441
132 HB2 LEU 20 HB1 LEU 20 12.956 -16.292 7.981
133 HB3 LEU 20 HB2 LEU 20 12.102 -17.106 6.671
134 HG LEU 20 HG LEU 20 13.975 -15.975 5.199
135 HD11 LEU 20 HD11 LEU 20 15.044 -15.877 7.984
136 HD12 LEU 20 HD12 LEU 20 15.208 -14.708 6.673
137 HD13 LEU 20 HD13 LEU 20 16.134 -16.209 6.637
138 HD21 LEU 20 HD21 LEU 20 13.487 -18.502 6.184
139 HD22 LEU 20 HD22 LEU 20 15.171 -18.213 6.620
140 HD23 LEU 20 HD23 LEU 20 14.661 -18.081 4.937
141 H VAL 21 HN VAL 21 9.485 -15.512 6.550
142 HA VAL 21 HA VAL 21 9.224 -16.463 3.923
143 HB VAL 21 HB VAL 21 7.576 -16.827 5.777
144 HG11 VAL 21 HG11 VAL 21 6.148 -14.341 5.085
145 HG12 VAL 21 HG12 VAL 21 6.269 -15.192 6.626
146 HG13 VAL 21 HG13 VAL 21 7.588 -14.154 6.085
147 HG21 VAL 21 HG21 VAL 21 6.434 -17.589 4.024
148 HG22 VAL 21 HG22 VAL 21 5.626 -16.023 3.963
149 HG23 VAL 21 HG23 VAL 21 7.060 -16.314 2.978
150 H DTH 22 HN DTH 22 9.282 -13.248 5.213
151 HB DTH 22 HB DTH 22 7.387 -12.432 2.131
152 HG21 DTH 22 HG21 DTH 22 5.864 -11.050 4.066
153 HG22 DTH 22 HG22 DTH 22 5.849 -12.782 3.732
154 HG23 DTH 22 HG23 DTH 22 6.931 -12.130 4.962
155 HG1 DTH 22 HG1 DTH 22 6.689 -10.303 1.923
156 H ALA 23 HN ALA 23 11.177 -13.176 3.432
157 HA ALA 23 HA ALA 23 12.610 -11.692 1.597
158 HB1 ALA 23 HB1 ALA 23 14.001 -13.689 1.278
159 HB2 ALA 23 HB2 ALA 23 13.633 -13.405 2.980
160 HB3 ALA 23 HB3 ALA 23 12.775 -14.663 2.091
161 H ALA 24 HN ALA 24 10.116 -14.061 1.042
162 HA ALA 24 HA ALA 24 10.577 -14.778 -1.591
163 HB1 ALA 24 HB1 ALA 24 7.972 -14.354 -0.140
164 HB2 ALA 24 HB2 ALA 24 8.100 -15.091 -1.738
165 HB3 ALA 24 HB3 ALA 24 8.857 -15.866 -0.346
166 H DTH 25 HN DTH 25 9.417 -11.770 -0.288
167 HB DTH 25 HB DTH 25 8.074 -11.334 -3.705
168 HG21 DTH 25 HG21 DTH 25 5.782 -10.649 -2.339
169 HG22 DTH 25 HG22 DTH 25 6.510 -12.255 -2.352
170 HG23 DTH 25 HG23 DTH 25 6.866 -11.135 -1.037
171 HG1 DTH 25 HG1 DTH 25 6.999 -8.902 -2.734
172 H GLY 26 HN GLY 26 11.555 -10.889 -1.504
173 HA2 GLY 26 HA1 GLY 26 12.737 -8.948 -3.123
174 HA3 GLY 26 HA2 GLY 26 13.541 -10.400 -2.545
175 H ALA 27 HN ALA 27 11.458 -12.056 -3.965
176 HA ALA 27 HA ALA 27 12.898 -12.624 -6.281
177 HB1 ALA 27 HB1 ALA 27 10.951 -13.963 -6.960
178 HB2 ALA 27 HB2 ALA 27 11.389 -14.231 -5.272
179 HB3 ALA 27 HB3 ALA 27 10.004 -13.216 -5.673
180 H DSN 28 HN DSN 28 10.467 -10.235 -5.681
181 HB2 DSN 28 HB2 DSN 28 9.852 -10.547 -9.256
182 HB3 DSN 28 HB1 DSN 28 8.507 -10.549 -8.116
183 HG DSN 28 HG DSN 28 7.640 -9.000 -9.221
184 H THR 29 HN THR 29 12.171 -8.233 -6.457
185 HA THR 29 HA THR 29 13.020 -6.680 -8.736
186 HB THR 29 HB THR 29 13.289 -5.673 -6.566
187 HG1 THR 29 HG1 THR 29 15.068 -5.615 -8.301
188 HG21 THR 29 HG21 THR 29 15.162 -6.763 -5.083
189 HG22 THR 29 HG22 THR 29 14.684 -8.236 -5.928
190 HG23 THR 29 HG23 THR 29 13.498 -7.336 -4.983
191 H ALA 30 HN ALA 30 13.768 -9.749 -7.347
192 HA ALA 30 HA ALA 30 16.359 -10.004 -8.574
193 HB1 ALA 30 HB1 ALA 30 15.201 -12.531 -7.853
194 HB2 ALA 30 HB2 ALA 30 16.581 -11.689 -7.146
195 HB3 ALA 30 HB3 ALA 30 14.951 -11.354 -6.563
196 H SER 31 HN SER 31 13.078 -10.623 -9.472
197 HA SER 31 HA SER 31 13.764 -12.428 -11.627
198 HB2 SER 31 HB1 SER 31 11.617 -12.602 -10.342
199 HB3 SER 31 HB2 SER 31 11.110 -11.082 -11.078
200 HG SER 31 HG SER 31 11.525 -12.207 -13.143
Start of MODEL 14
1 H1 ASP 1 HN ASP 1 3.144 -3.561 0.435
2 HA ASP 1 HA ASP 1 4.934 -5.897 0.388
3 HB2 ASP 1 HB1 ASP 1 2.939 -7.277 0.205
4 HB3 ASP 1 HB2 ASP 1 2.801 -6.212 1.601
5 H TRP 2 HN TRP 2 3.042 -3.718 -1.550
6 HA TRP 2 HA TRP 2 2.962 -5.192 -3.944
7 HB2 TRP 2 HB1 TRP 2 2.981 -2.199 -3.499
8 HB3 TRP 2 HB2 TRP 2 2.614 -2.978 -5.036
9 HD1 TRP 2 HD1 TRP 2 1.154 -2.447 -1.529
10 HE1 TRP 2 HE1 TRP 2 -1.370 -2.945 -1.611
11 HE3 TRP 2 HE3 TRP 2 0.842 -4.275 -6.293
12 HZ2 TRP 2 HZ2 TRP 2 -3.244 -3.978 -3.452
13 HZ3 TRP 2 HZ3 TRP 2 -1.353 -4.997 -7.138
14 HH2 TRP 2 HH2 TRP 2 -3.353 -4.851 -5.745
15 H THR 3 HN THR 3 5.196 -2.589 -2.960
16 HA THR 3 HA THR 3 6.910 -2.901 -5.195
17 HB THR 3 HB THR 3 7.954 -1.794 -2.624
18 HG1 THR 3 HG1 THR 3 6.534 -0.211 -2.585
19 HG21 THR 3 HG21 THR 3 9.138 -0.318 -4.012
20 HG22 THR 3 HG22 THR 3 8.053 -0.590 -5.376
21 HG23 THR 3 HG23 THR 3 9.178 -1.853 -4.878
22 H CYS 4 HN CYS 4 8.520 -4.287 -5.566
23 HA CYS 4 HA CYS 4 8.978 -6.500 -3.872
24 HB2 CYS 4 HB1 CYS 4 10.204 -5.462 -6.389
25 HB3 CYS 4 HB2 CYS 4 11.069 -6.701 -5.487
26 H TRP 5 HN TRP 5 10.401 -3.362 -4.064
27 HA TRP 5 HA TRP 5 12.876 -3.977 -2.804
28 HB2 TRP 5 HB1 TRP 5 11.366 -1.479 -3.434
29 HB3 TRP 5 HB2 TRP 5 12.678 -1.391 -2.262
30 HD1 TRP 5 HD1 TRP 5 15.150 -1.591 -3.169
31 HE1 TRP 5 HE1 TRP 5 16.160 -1.540 -5.536
32 HE3 TRP 5 HE3 TRP 5 10.867 -2.203 -5.892
33 HZ2 TRP 5 HZ2 TRP 5 15.260 -1.734 -8.204
34 HZ3 TRP 5 HZ3 TRP 5 11.028 -2.259 -8.346
35 HH2 TRP 5 HH2 TRP 5 13.179 -2.029 -9.477
36 H SER 6 HN SER 6 9.668 -3.266 -1.654
37 HA SER 6 HA SER 6 10.303 -2.542 0.992
38 HB2 SER 6 HB1 SER 6 8.008 -2.766 1.460
39 HB3 SER 6 HB2 SER 6 8.050 -2.348 -0.253
40 HG SER 6 HG SER 6 6.901 -4.096 -0.464
41 H CYS 7 HN CYS 7 10.299 -5.575 -0.632
42 HA CYS 7 HA CYS 7 9.952 -7.262 1.628
43 HB2 CYS 7 HB1 CYS 7 11.033 -7.665 -1.147
44 HB3 CYS 7 HB2 CYS 7 11.151 -8.947 0.054
45 H LEU 8 HN LEU 8 12.470 -5.240 0.710
46 HA LEU 8 HA LEU 8 14.752 -6.694 1.429
47 HB2 LEU 8 HB1 LEU 8 15.042 -4.657 0.271
48 HB3 LEU 8 HB2 LEU 8 14.118 -3.758 1.473
49 HG LEU 8 HG LEU 8 16.573 -5.046 2.470
50 HD11 LEU 8 HD11 LEU 8 17.377 -4.343 0.301
51 HD12 LEU 8 HD12 LEU 8 18.017 -3.278 1.552
52 HD13 LEU 8 HD13 LEU 8 16.683 -2.738 0.533
53 HD21 LEU 8 HD21 LEU 8 15.803 -3.687 4.088
54 HD22 LEU 8 HD22 LEU 8 14.910 -2.670 2.956
55 HD23 LEU 8 HD23 LEU 8 16.645 -2.433 3.176
56 H VAL 9 HN VAL 9 12.598 -4.660 3.374
57 HA VAL 9 HA VAL 9 14.052 -4.862 5.785
58 HB VAL 9 HB VAL 9 12.282 -3.164 5.344
59 HG11 VAL 9 HG11 VAL 9 10.725 -5.406 4.759
60 HG12 VAL 9 HG12 VAL 9 10.057 -4.749 6.255
61 HG13 VAL 9 HG13 VAL 9 10.195 -3.725 4.825
62 HG21 VAL 9 HG21 VAL 9 11.634 -4.741 7.819
63 HG22 VAL 9 HG22 VAL 9 13.139 -3.839 7.642
64 HG23 VAL 9 HG23 VAL 9 11.593 -2.993 7.590
65 H CYS 10 HN CYS 10 12.060 -7.088 4.122
66 HA CYS 10 HA CYS 10 11.114 -8.609 6.317
67 HB2 CYS 10 HB1 CYS 10 10.753 -8.642 3.566
68 HB3 CYS 10 HB2 CYS 10 11.590 -10.156 3.891
69 H ALA 11 HN ALA 11 14.166 -8.405 4.731
70 HA ALA 11 HA ALA 11 15.171 -10.968 5.438
71 HB1 ALA 11 HB1 ALA 11 17.421 -9.563 5.162
72 HB2 ALA 11 HB2 ALA 11 16.464 -10.109 3.785
73 HB3 ALA 11 HB3 ALA 11 16.304 -8.452 4.368
74 H ALA 12 HN ALA 12 14.410 -8.294 7.303
75 HA ALA 12 HA ALA 12 16.511 -8.391 9.223
76 HB1 ALA 12 HB1 ALA 12 14.805 -7.135 10.649
77 HB2 ALA 12 HB2 ALA 12 15.324 -6.374 9.145
78 HB3 ALA 12 HB3 ALA 12 13.761 -7.188 9.228
79 H CYS 13 HN CYS 13 14.043 -10.531 8.523
80 HA CYS 13 HA CYS 13 13.390 -11.387 11.174
81 HB2 CYS 13 HB1 CYS 13 12.767 -12.258 8.413
82 HB3 CYS 13 HB2 CYS 13 12.710 -13.512 9.647
83 H SER 14 HN SER 14 15.636 -11.543 11.939
84 HA SER 14 HA SER 14 17.029 -13.963 11.032
85 HB2 SER 14 HB1 SER 14 18.490 -12.084 11.007
86 HB3 SER 14 HB2 SER 14 17.951 -11.552 12.600
87 HG SER 14 HG SER 14 19.737 -13.573 11.900
88 H VAL 15 HN VAL 15 15.344 -12.566 13.716
89 HA VAL 15 HA VAL 15 16.263 -14.542 15.620
90 HB VAL 15 HB VAL 15 14.021 -12.536 15.903
91 HG11 VAL 15 HG11 VAL 15 15.057 -13.029 18.394
92 HG12 VAL 15 HG12 VAL 15 13.582 -13.740 17.737
93 HG13 VAL 15 HG13 VAL 15 15.108 -14.619 17.634
94 HG21 VAL 15 HG21 VAL 15 16.969 -12.343 16.387
95 HG22 VAL 15 HG22 VAL 15 15.895 -11.203 15.578
96 HG23 VAL 15 HG23 VAL 15 15.838 -11.373 17.332
97 H GLU 16 HN GLU 16 13.781 -14.267 13.285
98 HA GLU 16 HA GLU 16 12.675 -16.822 14.147
99 HB2 GLU 16 HB1 GLU 16 11.339 -14.718 15.016
100 HB3 GLU 16 HB2 GLU 16 10.716 -14.703 13.372
101 HG2 GLU 16 HG1 GLU 16 9.138 -15.996 14.361
102 HG3 GLU 16 HG2 GLU 16 10.279 -17.251 13.881
103 H LEU 17 HN LEU 17 11.748 -18.032 12.487
104 HA LEU 17 HA LEU 17 12.666 -17.343 9.846
105 HB2 LEU 17 HB1 LEU 17 12.445 -19.681 11.099
106 HB3 LEU 17 HB2 LEU 17 10.877 -19.667 10.295
107 HG LEU 17 HG LEU 17 12.198 -19.257 8.137
108 HD11 LEU 17 HD11 LEU 17 14.395 -20.007 10.036
109 HD12 LEU 17 HD12 LEU 17 14.335 -18.675 8.883
110 HD13 LEU 17 HD13 LEU 17 14.510 -20.332 8.307
111 HD21 LEU 17 HD21 LEU 17 11.114 -21.427 9.049
112 HD22 LEU 17 HD22 LEU 17 12.777 -21.932 9.346
113 HD23 LEU 17 HD23 LEU 17 12.256 -21.531 7.709
114 H LEU 18 HN LEU 18 9.827 -16.853 11.624
115 HA LEU 18 HA LEU 18 7.829 -17.063 9.684
116 HB2 LEU 18 HB1 LEU 18 7.797 -16.498 12.271
117 HB3 LEU 18 HB2 LEU 18 7.709 -14.847 11.661
118 HG LEU 18 HG LEU 18 5.492 -15.637 12.159
119 HD11 LEU 18 HD11 LEU 18 5.687 -14.171 10.251
120 HD12 LEU 18 HD12 LEU 18 4.434 -15.375 9.949
121 HD13 LEU 18 HD13 LEU 18 6.018 -15.542 9.192
122 HD21 LEU 18 HD21 LEU 18 4.938 -17.772 11.935
123 HD22 LEU 18 HD22 LEU 18 6.486 -18.100 11.156
124 HD23 LEU 18 HD23 LEU 18 5.090 -17.634 10.183
125 H DSG 19 HN DAS 19 9.542 -14.111 10.731
126 HB2 DSG 19 HB2 DAS 19 8.309 -11.443 7.898
127 HB3 DSG 19 HB1 DAS 19 7.420 -12.886 8.377
128 HD21 DSG 19 HD21 DAS 19 7.236 -13.116 10.836
129 HD22 DSG 19 HD22 DAS 19 6.774 -11.684 11.686
130 H LEU 20 HN LEU 20 10.937 -14.854 8.568
131 HA LEU 20 HA LEU 20 12.440 -13.978 6.394
132 HB2 LEU 20 HB1 LEU 20 12.613 -16.097 7.939
133 HB3 LEU 20 HB2 LEU 20 11.703 -16.857 6.635
134 HG LEU 20 HG LEU 20 13.574 -15.989 5.099
135 HD11 LEU 20 HD11 LEU 20 15.723 -15.641 6.137
136 HD12 LEU 20 HD12 LEU 20 15.024 -15.875 7.739
137 HD13 LEU 20 HD13 LEU 20 14.564 -14.473 6.773
138 HD21 LEU 20 HD21 LEU 20 13.783 -18.214 5.143
139 HD22 LEU 20 HD22 LEU 20 13.446 -18.304 6.872
140 HD23 LEU 20 HD23 LEU 20 15.077 -17.936 6.308
141 H VAL 21 HN VAL 21 9.190 -15.115 6.540
142 HA VAL 21 HA VAL 21 8.847 -16.045 3.914
143 HB VAL 21 HB VAL 21 6.477 -15.722 4.234
144 HG11 VAL 21 HG11 VAL 21 6.731 -16.491 6.933
145 HG12 VAL 21 HG12 VAL 21 6.569 -17.532 5.517
146 HG13 VAL 21 HG13 VAL 21 8.170 -17.074 6.098
147 HG21 VAL 21 HG21 VAL 21 7.391 -13.691 6.157
148 HG22 VAL 21 HG22 VAL 21 5.940 -13.736 5.156
149 HG23 VAL 21 HG23 VAL 21 5.997 -14.644 6.667
150 H DTH 22 HN DTH 22 9.095 -12.841 5.211
151 HB DTH 22 HB DTH 22 7.214 -11.916 2.153
152 HG21 DTH 22 HG21 DTH 22 5.704 -12.206 3.795
153 HG22 DTH 22 HG22 DTH 22 6.811 -11.542 4.997
154 HG23 DTH 22 HG23 DTH 22 5.765 -10.466 4.071
155 HG1 DTH 22 HG1 DTH 22 7.166 -9.895 1.555
156 H ALA 23 HN ALA 23 10.976 -12.865 3.412
157 HA ALA 23 HA ALA 23 12.466 -11.458 1.563
158 HB1 ALA 23 HB1 ALA 23 13.790 -13.465 1.276
159 HB2 ALA 23 HB2 ALA 23 13.345 -13.273 2.972
160 HB3 ALA 23 HB3 ALA 23 12.496 -14.446 1.965
161 H ALA 24 HN ALA 24 9.844 -13.692 1.032
162 HA ALA 24 HA ALA 24 10.240 -14.425 -1.607
163 HB1 ALA 24 HB1 ALA 24 8.469 -15.353 -0.207
164 HB2 ALA 24 HB2 ALA 24 7.614 -13.811 -0.257
165 HB3 ALA 24 HB3 ALA 24 7.823 -14.751 -1.734
166 H DTH 25 HN DTH 25 9.255 -11.364 -0.286
167 HB DTH 25 HB DTH 25 7.885 -10.856 -3.677
168 HG21 DTH 25 HG21 DTH 25 6.419 -11.726 -2.130
169 HG22 DTH 25 HG22 DTH 25 6.642 -10.382 -1.010
170 HG23 DTH 25 HG23 DTH 25 5.616 -10.185 -2.430
171 HG1 DTH 25 HG1 DTH 25 6.557 -8.861 -3.750
172 H GLY 26 HN GLY 26 11.421 -10.594 -1.532
173 HA2 GLY 26 HA1 GLY 26 12.677 -8.717 -3.173
174 HA3 GLY 26 HA2 GLY 26 13.414 -10.206 -2.600
175 H ALA 27 HN ALA 27 11.219 -11.751 -3.988
176 HA ALA 27 HA ALA 27 12.598 -12.407 -6.319
177 HB1 ALA 27 HB1 ALA 27 9.657 -12.816 -5.794
178 HB2 ALA 27 HB2 ALA 27 10.662 -13.711 -6.934
179 HB3 ALA 27 HB3 ALA 27 10.946 -13.863 -5.200
180 H DSN 28 HN DSN 28 10.325 -9.876 -5.697
181 HB2 DSN 28 HB2 DSN 28 9.654 -10.146 -9.281
182 HB3 DSN 28 HB1 DSN 28 8.332 -10.107 -8.114
183 HG DSN 28 HG DSN 28 7.821 -8.897 -9.969
184 H THR 29 HN THR 29 12.126 -7.980 -6.499
185 HA THR 29 HA THR 29 13.037 -6.484 -8.793
186 HB THR 29 HB THR 29 13.384 -5.484 -6.631
187 HG1 THR 29 HG1 THR 29 15.615 -5.081 -6.814
188 HG21 THR 29 HG21 THR 29 15.207 -6.674 -5.161
189 HG22 THR 29 HG22 THR 29 14.632 -8.120 -5.991
190 HG23 THR 29 HG23 THR 29 13.512 -7.146 -5.039
191 H ALA 30 HN ALA 30 13.631 -9.582 -7.391
192 HA ALA 30 HA ALA 30 16.188 -9.986 -8.649
193 HB1 ALA 30 HB1 ALA 30 16.331 -11.628 -7.167
194 HB2 ALA 30 HB2 ALA 30 14.687 -11.271 -6.635
195 HB3 ALA 30 HB3 ALA 30 14.962 -12.455 -7.912
196 H SER 31 HN SER 31 12.866 -10.441 -9.496
197 HA SER 31 HA SER 31 13.422 -12.296 -11.644
198 HB2 SER 31 HB1 SER 31 11.308 -12.600 -10.604
199 HB3 SER 31 HB2 SER 31 10.922 -10.883 -10.714
200 HG SER 31 HG SER 31 9.936 -11.474 -12.477
Start of MODEL 15
1 H1 ASP 1 HN ASP 1 1.953 0.293 0.285
2 HA ASP 1 HA ASP 1 2.889 0.794 -2.383
3 HB2 ASP 1 HB1 ASP 1 3.706 1.905 -0.214
4 HB3 ASP 1 HB2 ASP 1 4.639 0.434 0.043
5 H TRP 2 HN TRP 2 1.923 -1.649 -2.599
6 HA TRP 2 HA TRP 2 3.611 -3.795 -1.938
7 HB2 TRP 2 HB1 TRP 2 1.717 -3.582 -4.288
8 HB3 TRP 2 HB2 TRP 2 2.357 -5.071 -3.599
9 HD1 TRP 2 HD1 TRP 2 -0.411 -2.560 -3.185
10 HE1 TRP 2 HE1 TRP 2 -1.939 -3.273 -1.240
11 HE3 TRP 2 HE3 TRP 2 2.473 -6.293 -1.215
12 HZ2 TRP 2 HZ2 TRP 2 -1.923 -5.168 0.852
13 HZ3 TRP 2 HZ3 TRP 2 1.645 -7.506 0.759
14 HH2 TRP 2 HH2 TRP 2 -0.508 -6.953 1.770
15 H THR 3 HN THR 3 5.573 -4.273 -2.645
16 HA THR 3 HA THR 3 6.316 -4.241 -5.374
17 HB THR 3 HB THR 3 8.294 -2.484 -4.513
18 HG1 THR 3 HG1 THR 3 7.384 -1.106 -3.199
19 HG21 THR 3 HG21 THR 3 7.744 -1.364 -6.407
20 HG22 THR 3 HG22 THR 3 6.025 -1.333 -6.018
21 HG23 THR 3 HG23 THR 3 6.749 -2.791 -6.694
22 H CYS 4 HN CYS 4 8.602 -4.851 -5.692
23 HA CYS 4 HA CYS 4 9.366 -6.896 -3.901
24 HB2 CYS 4 HB1 CYS 4 10.808 -5.575 -6.201
25 HB3 CYS 4 HB2 CYS 4 11.489 -6.923 -5.296
26 H TRP 5 HN TRP 5 10.051 -3.529 -4.007
27 HA TRP 5 HA TRP 5 12.502 -3.566 -2.562
28 HB2 TRP 5 HB1 TRP 5 10.490 -1.473 -3.285
29 HB3 TRP 5 HB2 TRP 5 11.694 -1.107 -2.052
30 HD1 TRP 5 HD1 TRP 5 14.308 -1.173 -2.862
31 HE1 TRP 5 HE1 TRP 5 15.339 -0.693 -5.171
32 HE3 TRP 5 HE3 TRP 5 10.109 -1.649 -5.739
33 HZ2 TRP 5 HZ2 TRP 5 14.484 -0.537 -7.857
34 HZ3 TRP 5 HZ3 TRP 5 10.301 -1.318 -8.169
35 HH2 TRP 5 HH2 TRP 5 12.444 -0.773 -9.205
36 H SER 6 HN SER 6 9.112 -3.420 -1.649
37 HA SER 6 HA SER 6 9.468 -2.731 1.058
38 HB2 SER 6 HB1 SER 6 7.273 -3.994 -0.531
39 HB3 SER 6 HB2 SER 6 7.179 -4.048 1.229
40 HG SER 6 HG SER 6 6.273 -2.142 -0.047
41 H CYS 7 HN CYS 7 9.901 -5.695 -0.661
42 HA CYS 7 HA CYS 7 9.663 -7.477 1.537
43 HB2 CYS 7 HB1 CYS 7 10.867 -7.664 -1.206
44 HB3 CYS 7 HB2 CYS 7 11.127 -8.955 -0.037
45 H LEU 8 HN LEU 8 11.970 -5.159 0.773
46 HA LEU 8 HA LEU 8 14.369 -6.373 1.562
47 HB2 LEU 8 HB1 LEU 8 14.542 -4.312 0.467
48 HB3 LEU 8 HB2 LEU 8 13.398 -3.536 1.559
49 HG LEU 8 HG LEU 8 15.911 -4.502 2.778
50 HD11 LEU 8 HD11 LEU 8 16.112 -1.889 1.406
51 HD12 LEU 8 HD12 LEU 8 16.299 -3.334 0.414
52 HD13 LEU 8 HD13 LEU 8 17.363 -3.070 1.795
53 HD21 LEU 8 HD21 LEU 8 13.953 -2.291 3.092
54 HD22 LEU 8 HD22 LEU 8 15.608 -2.013 3.634
55 HD23 LEU 8 HD23 LEU 8 14.673 -3.350 4.305
56 H VAL 9 HN VAL 9 11.892 -4.680 3.438
57 HA VAL 9 HA VAL 9 13.257 -4.718 5.908
58 HB VAL 9 HB VAL 9 11.322 -3.258 5.476
59 HG11 VAL 9 HG11 VAL 9 9.205 -5.080 6.064
60 HG12 VAL 9 HG12 VAL 9 9.417 -4.045 4.651
61 HG13 VAL 9 HG13 VAL 9 10.102 -5.670 4.666
62 HG21 VAL 9 HG21 VAL 9 12.023 -4.420 7.816
63 HG22 VAL 9 HG22 VAL 9 10.798 -3.160 7.665
64 HG23 VAL 9 HG23 VAL 9 10.316 -4.855 7.732
65 H CYS 10 HN CYS 10 11.612 -7.159 4.143
66 HA CYS 10 HA CYS 10 10.847 -8.841 6.290
67 HB2 CYS 10 HB1 CYS 10 10.592 -8.866 3.502
68 HB3 CYS 10 HB2 CYS 10 11.529 -10.307 3.886
69 H ALA 11 HN ALA 11 13.857 -8.260 4.681
70 HA ALA 11 HA ALA 11 15.165 -10.673 5.428
71 HB1 ALA 11 HB1 ALA 11 16.435 -9.786 3.810
72 HB2 ALA 11 HB2 ALA 11 15.908 -8.140 4.163
73 HB3 ALA 11 HB3 ALA 11 17.192 -8.879 5.119
74 H ALA 12 HN ALA 12 14.098 -8.086 7.250
75 HA ALA 12 HA ALA 12 16.221 -7.849 9.130
76 HB1 ALA 12 HB1 ALA 12 14.556 -6.089 8.833
77 HB2 ALA 12 HB2 ALA 12 13.299 -7.167 9.442
78 HB3 ALA 12 HB3 ALA 12 14.604 -6.644 10.507
79 H CYS 13 HN CYS 13 14.048 -10.323 8.525
80 HA CYS 13 HA CYS 13 13.601 -11.214 11.208
81 HB2 CYS 13 HB1 CYS 13 13.050 -12.254 8.477
82 HB3 CYS 13 HB2 CYS 13 13.116 -13.430 9.785
83 H SER 14 HN SER 14 14.882 -12.397 12.471
84 HA SER 14 HA SER 14 17.225 -13.698 11.243
85 HB2 SER 14 HB1 SER 14 18.322 -13.324 13.510
86 HB3 SER 14 HB2 SER 14 18.052 -11.878 12.538
87 HG SER 14 HG SER 14 17.388 -11.958 14.905
88 H VAL 15 HN VAL 15 15.764 -13.816 14.483
89 HA VAL 15 HA VAL 15 16.042 -16.690 14.539
90 HB VAL 15 HB VAL 15 14.726 -14.924 16.603
91 HG11 VAL 15 HG11 VAL 15 15.512 -17.775 16.464
92 HG12 VAL 15 HG12 VAL 15 15.788 -16.939 17.993
93 HG13 VAL 15 HG13 VAL 15 14.165 -17.009 17.305
94 HG21 VAL 15 HG21 VAL 15 16.984 -15.131 17.754
95 HG22 VAL 15 HG22 VAL 15 17.618 -15.637 16.188
96 HG23 VAL 15 HG23 VAL 15 16.897 -14.038 16.372
97 H GLU 16 HN GLU 16 13.614 -14.434 13.701
98 HA GLU 16 HA GLU 16 11.458 -16.372 14.081
99 HB2 GLU 16 HB1 GLU 16 11.392 -13.784 14.598
100 HB3 GLU 16 HB2 GLU 16 11.021 -13.669 12.884
101 HG2 GLU 16 HG1 GLU 16 9.151 -15.295 13.285
102 HG3 GLU 16 HG2 GLU 16 9.458 -15.105 15.010
103 H LEU 17 HN LEU 17 11.688 -17.880 12.491
104 HA LEU 17 HA LEU 17 12.486 -17.463 9.864
105 HB2 LEU 17 HB1 LEU 17 11.063 -19.567 11.342
106 HB3 LEU 17 HB2 LEU 17 10.765 -19.546 9.605
107 HG LEU 17 HG LEU 17 12.538 -21.103 10.134
108 HD11 LEU 17 HD11 LEU 17 13.948 -18.762 8.924
109 HD12 LEU 17 HD12 LEU 17 12.589 -19.514 8.089
110 HD13 LEU 17 HD13 LEU 17 14.020 -20.468 8.480
111 HD21 LEU 17 HD21 LEU 17 14.273 -18.866 11.099
112 HD22 LEU 17 HD22 LEU 17 14.447 -20.605 11.342
113 HD23 LEU 17 HD23 LEU 17 13.204 -19.711 12.219
114 H LEU 18 HN LEU 18 9.445 -16.832 11.391
115 HA LEU 18 HA LEU 18 7.712 -16.849 9.214
116 HB2 LEU 18 HB1 LEU 18 7.794 -15.430 11.823
117 HB3 LEU 18 HB2 LEU 18 6.642 -14.868 10.613
118 HG LEU 18 HG LEU 18 5.690 -16.451 12.279
119 HD11 LEU 18 HD11 LEU 18 5.197 -16.244 9.610
120 HD12 LEU 18 HD12 LEU 18 4.220 -17.168 10.750
121 HD13 LEU 18 HD13 LEU 18 5.459 -17.978 9.792
122 HD21 LEU 18 HD21 LEU 18 7.669 -17.867 12.561
123 HD22 LEU 18 HD22 LEU 18 7.481 -18.454 10.908
124 HD23 LEU 18 HD23 LEU 18 6.248 -18.813 12.118
125 H DSG 19 HN DAS 19 9.599 -14.124 10.522
126 HB2 DSG 19 HB2 DAS 19 8.258 -12.231 7.429
127 HB3 DSG 19 HB1 DAS 19 7.655 -12.219 9.084
128 HD21 DSG 19 HD21 DAS 19 7.158 -10.272 9.740
129 HD22 DSG 19 HD22 DAS 19 7.993 -8.812 9.344
130 H LEU 20 HN LEU 20 11.058 -14.876 8.492
131 HA LEU 20 HA LEU 20 12.779 -13.940 6.442
132 HB2 LEU 20 HB1 LEU 20 12.514 -16.253 8.042
133 HB3 LEU 20 HB2 LEU 20 12.512 -16.784 6.361
134 HG LEU 20 HG LEU 20 14.752 -16.883 7.248
135 HD11 LEU 20 HD11 LEU 20 15.819 -15.921 5.466
136 HD12 LEU 20 HD12 LEU 20 14.854 -14.447 5.539
137 HD13 LEU 20 HD13 LEU 20 14.155 -15.926 4.879
138 HD21 LEU 20 HD21 LEU 20 14.259 -15.027 8.955
139 HD22 LEU 20 HD22 LEU 20 14.726 -13.913 7.670
140 HD23 LEU 20 HD23 LEU 20 15.878 -15.111 8.262
141 H VAL 21 HN VAL 21 9.628 -15.400 6.449
142 HA VAL 21 HA VAL 21 9.545 -16.377 3.818
143 HB VAL 21 HB VAL 21 7.272 -15.267 5.471
144 HG11 VAL 21 HG11 VAL 21 6.007 -16.980 3.974
145 HG12 VAL 21 HG12 VAL 21 6.386 -15.377 3.340
146 HG13 VAL 21 HG13 VAL 21 7.378 -16.763 2.886
147 HG21 VAL 21 HG21 VAL 21 6.852 -17.588 6.093
148 HG22 VAL 21 HG22 VAL 21 8.260 -18.103 5.162
149 HG23 VAL 21 HG23 VAL 21 8.469 -17.088 6.589
150 H DTH 22 HN DTH 22 9.226 -13.160 5.116
151 HB DTH 22 HB DTH 22 7.410 -12.460 1.981
152 HG21 DTH 22 HG21 DTH 22 6.184 -13.078 3.842
153 HG22 DTH 22 HG22 DTH 22 6.798 -11.743 4.818
154 HG23 DTH 22 HG23 DTH 22 5.561 -11.447 3.596
155 HG1 DTH 22 HG1 DTH 22 7.260 -10.450 1.364
156 H ALA 23 HN ALA 23 11.187 -13.044 3.318
157 HA ALA 23 HA ALA 23 12.592 -11.482 1.524
158 HB1 ALA 23 HB1 ALA 23 14.122 -13.312 1.290
159 HB2 ALA 23 HB2 ALA 23 13.547 -13.276 2.957
160 HB3 ALA 23 HB3 ALA 23 12.900 -14.464 1.827
161 H ALA 24 HN ALA 24 10.178 -13.912 0.904
162 HA ALA 24 HA ALA 24 10.697 -14.591 -1.728
163 HB1 ALA 24 HB1 ALA 24 8.993 -15.766 -0.599
164 HB2 ALA 24 HB2 ALA 24 8.098 -14.286 -0.249
165 HB3 ALA 24 HB3 ALA 24 8.188 -14.891 -1.903
166 H DTH 25 HN DTH 25 9.405 -11.634 -0.415
167 HB DTH 25 HB DTH 25 8.170 -11.190 -3.879
168 HG21 DTH 25 HG21 DTH 25 6.768 -12.254 -2.371
169 HG22 DTH 25 HG22 DTH 25 6.716 -10.866 -1.284
170 HG23 DTH 25 HG23 DTH 25 5.786 -10.848 -2.782
171 HG1 DTH 25 HG1 DTH 25 6.706 -9.359 -4.068
172 H GLY 26 HN GLY 26 11.546 -10.658 -1.541
173 HA2 GLY 26 HA1 GLY 26 12.685 -8.651 -3.136
174 HA3 GLY 26 HA2 GLY 26 13.547 -10.031 -2.473
175 H ALA 27 HN ALA 27 11.557 -11.795 -3.977
176 HA ALA 27 HA ALA 27 13.167 -12.411 -6.165
177 HB1 ALA 27 HB1 ALA 27 11.711 -14.086 -5.382
178 HB2 ALA 27 HB2 ALA 27 10.294 -13.050 -5.559
179 HB3 ALA 27 HB3 ALA 27 11.121 -13.665 -6.990
180 H DSN 28 HN DSN 28 10.695 -10.020 -5.809
181 HB2 DSN 28 HB2 DSN 28 10.102 -10.395 -9.402
182 HB3 DSN 28 HB1 DSN 28 8.827 -10.386 -8.183
183 HG DSN 28 HG DSN 28 8.897 -8.999 -10.397
184 H THR 29 HN THR 29 12.845 -8.729 -6.855
185 HA THR 29 HA THR 29 13.713 -6.974 -8.966
186 HB THR 29 HB THR 29 15.811 -6.820 -7.771
187 HG1 THR 29 HG1 THR 29 16.342 -8.205 -6.140
188 HG21 THR 29 HG21 THR 29 15.053 -5.862 -5.740
189 HG22 THR 29 HG22 THR 29 13.647 -6.925 -5.678
190 HG23 THR 29 HG23 THR 29 13.738 -5.651 -6.894
191 H ALA 30 HN ALA 30 13.973 -10.352 -8.210
192 HA ALA 30 HA ALA 30 16.138 -10.829 -10.069
193 HB1 ALA 30 HB1 ALA 30 15.730 -12.131 -7.928
194 HB2 ALA 30 HB2 ALA 30 14.409 -12.926 -8.786
195 HB3 ALA 30 HB3 ALA 30 16.064 -13.077 -9.378
196 H SER 31 HN SER 31 12.812 -12.110 -9.846
197 HA SER 31 HA SER 31 12.833 -12.697 -12.687
198 HB2 SER 31 HB1 SER 31 11.827 -14.203 -10.868
199 HB3 SER 31 HB2 SER 31 10.490 -13.054 -10.821
200 HG SER 31 HG SER 31 11.027 -14.999 -12.631
Start of MODEL 16
1 H1 ASP 1 HN ASP 1 1.188 -1.338 0.719
2 HA ASP 1 HA ASP 1 2.767 -0.270 -1.394
3 HB2 ASP 1 HB1 ASP 1 4.568 -0.178 0.316
4 HB3 ASP 1 HB2 ASP 1 3.060 0.544 0.870
5 H TRP 2 HN TRP 2 1.875 -3.006 -1.821
6 HA TRP 2 HA TRP 2 3.910 -4.886 -1.410
7 HB2 TRP 2 HB1 TRP 2 1.593 -4.665 -3.281
8 HB3 TRP 2 HB2 TRP 2 2.809 -5.900 -3.595
9 HD1 TRP 2 HD1 TRP 2 3.403 -6.939 -0.711
10 HE1 TRP 2 HE1 TRP 2 1.605 -8.212 0.620
11 HE3 TRP 2 HE3 TRP 2 -0.758 -5.286 -3.180
12 HZ2 TRP 2 HZ2 TRP 2 -1.205 -8.480 0.623
13 HZ3 TRP 2 HZ3 TRP 2 -2.963 -6.099 -2.450
14 HH2 TRP 2 HH2 TRP 2 -3.179 -7.664 -0.588
15 H THR 3 HN THR 3 5.858 -5.118 -2.281
16 HA THR 3 HA THR 3 6.465 -4.613 -4.998
17 HB THR 3 HB THR 3 8.295 -2.798 -3.982
18 HG1 THR 3 HG1 THR 3 7.260 -2.247 -2.156
19 HG21 THR 3 HG21 THR 3 7.494 -1.465 -5.633
20 HG22 THR 3 HG22 THR 3 5.814 -1.682 -5.140
21 HG23 THR 3 HG23 THR 3 6.624 -2.931 -6.085
22 H CYS 4 HN CYS 4 8.695 -5.070 -5.524
23 HA CYS 4 HA CYS 4 9.773 -7.178 -3.989
24 HB2 CYS 4 HB1 CYS 4 10.891 -5.560 -6.279
25 HB3 CYS 4 HB2 CYS 4 11.761 -6.906 -5.552
26 H TRP 5 HN TRP 5 10.238 -3.758 -3.910
27 HA TRP 5 HA TRP 5 12.777 -3.778 -2.599
28 HB2 TRP 5 HB1 TRP 5 10.662 -1.670 -3.003
29 HB3 TRP 5 HB2 TRP 5 12.105 -1.363 -2.041
30 HD1 TRP 5 HD1 TRP 5 14.466 -1.315 -3.358
31 HE1 TRP 5 HE1 TRP 5 15.013 -0.848 -5.829
32 HE3 TRP 5 HE3 TRP 5 9.807 -1.970 -5.359
33 HZ2 TRP 5 HZ2 TRP 5 13.650 -0.767 -8.300
34 HZ3 TRP 5 HZ3 TRP 5 9.514 -1.679 -7.784
35 HH2 TRP 5 HH2 TRP 5 11.397 -1.089 -9.223
36 H SER 6 HN SER 6 9.422 -3.405 -1.504
37 HA SER 6 HA SER 6 9.972 -2.964 1.208
38 HB2 SER 6 HB1 SER 6 7.731 -2.794 -0.135
39 HB3 SER 6 HB2 SER 6 7.531 -4.480 0.342
40 HG SER 6 HG SER 6 7.029 -3.829 2.268
41 H CYS 7 HN CYS 7 10.149 -5.814 -0.700
42 HA CYS 7 HA CYS 7 9.779 -7.747 1.337
43 HB2 CYS 7 HB1 CYS 7 11.149 -7.821 -1.348
44 HB3 CYS 7 HB2 CYS 7 11.096 -9.227 -0.289
45 H LEU 8 HN LEU 8 12.264 -5.537 0.765
46 HA LEU 8 HA LEU 8 14.525 -7.002 1.589
47 HB2 LEU 8 HB1 LEU 8 15.653 -4.980 1.655
48 HB3 LEU 8 HB2 LEU 8 14.382 -4.697 0.468
49 HG LEU 8 HG LEU 8 13.131 -3.748 2.620
50 HD11 LEU 8 HD11 LEU 8 14.438 -3.573 4.403
51 HD12 LEU 8 HD12 LEU 8 15.412 -2.403 3.513
52 HD13 LEU 8 HD13 LEU 8 15.848 -4.111 3.489
53 HD21 LEU 8 HD21 LEU 8 15.050 -1.783 1.646
54 HD22 LEU 8 HD22 LEU 8 13.291 -1.815 1.514
55 HD23 LEU 8 HD23 LEU 8 14.280 -2.704 0.354
56 H VAL 9 HN VAL 9 11.977 -5.391 3.351
57 HA VAL 9 HA VAL 9 13.233 -5.275 5.877
58 HB VAL 9 HB VAL 9 11.148 -4.040 5.252
59 HG11 VAL 9 HG11 VAL 9 10.190 -6.414 4.420
60 HG12 VAL 9 HG12 VAL 9 9.459 -6.330 6.024
61 HG13 VAL 9 HG13 VAL 9 9.167 -5.044 4.852
62 HG21 VAL 9 HG21 VAL 9 10.409 -3.908 7.433
63 HG22 VAL 9 HG22 VAL 9 10.562 -5.644 7.704
64 HG23 VAL 9 HG23 VAL 9 12.004 -4.630 7.646
65 H CYS 10 HN CYS 10 11.884 -7.876 4.087
66 HA CYS 10 HA CYS 10 11.185 -9.594 6.225
67 HB2 CYS 10 HB1 CYS 10 11.967 -10.198 3.367
68 HB3 CYS 10 HB2 CYS 10 11.341 -11.398 4.494
69 H ALA 11 HN ALA 11 14.198 -8.764 4.734
70 HA ALA 11 HA ALA 11 15.702 -11.029 5.521
71 HB1 ALA 11 HB1 ALA 11 16.227 -9.027 3.869
72 HB2 ALA 11 HB2 ALA 11 17.031 -8.383 5.301
73 HB3 ALA 11 HB3 ALA 11 17.510 -9.951 4.651
74 H ALA 12 HN ALA 12 14.348 -8.508 7.316
75 HA ALA 12 HA ALA 12 16.314 -8.267 9.363
76 HB1 ALA 12 HB1 ALA 12 14.787 -6.908 10.489
77 HB2 ALA 12 HB2 ALA 12 14.414 -6.646 8.785
78 HB3 ALA 12 HB3 ALA 12 13.395 -7.707 9.757
79 H CYS 13 HN CYS 13 13.869 -10.579 8.657
80 HA CYS 13 HA CYS 13 13.582 -11.581 11.333
81 HB2 CYS 13 HB1 CYS 13 12.810 -12.805 8.675
82 HB3 CYS 13 HB2 CYS 13 12.338 -13.428 10.253
83 H SER 14 HN SER 14 16.135 -11.546 11.291
84 HA SER 14 HA SER 14 17.502 -13.679 10.047
85 HB2 SER 14 HB1 SER 14 18.836 -11.871 10.786
86 HB3 SER 14 HB2 SER 14 18.149 -11.920 12.409
87 HG SER 14 HG SER 14 19.281 -13.776 12.826
88 H VAL 15 HN VAL 15 16.581 -13.282 13.473
89 HA VAL 15 HA VAL 15 17.040 -16.085 13.994
90 HB VAL 15 HB VAL 15 15.833 -13.994 15.811
91 HG11 VAL 15 HG11 VAL 15 15.282 -15.987 16.817
92 HG12 VAL 15 HG12 VAL 15 16.703 -16.823 16.188
93 HG13 VAL 15 HG13 VAL 15 16.869 -15.681 17.522
94 HG21 VAL 15 HG21 VAL 15 18.112 -13.424 15.012
95 HG22 VAL 15 HG22 VAL 15 18.032 -13.709 16.750
96 HG23 VAL 15 HG23 VAL 15 18.691 -14.949 15.682
97 H GLU 16 HN GLU 16 14.414 -14.129 13.009
98 HA GLU 16 HA GLU 16 12.424 -16.076 13.903
99 HB2 GLU 16 HB1 GLU 16 12.335 -13.255 12.958
100 HB3 GLU 16 HB2 GLU 16 10.925 -14.260 12.652
101 HG2 GLU 16 HG1 GLU 16 11.075 -14.836 15.161
102 HG3 GLU 16 HG2 GLU 16 12.096 -13.403 15.263
103 H LEU 17 HN LEU 17 10.691 -16.649 12.295
104 HA LEU 17 HA LEU 17 11.912 -17.178 9.666
105 HB2 LEU 17 HB1 LEU 17 10.081 -18.826 11.378
106 HB3 LEU 17 HB2 LEU 17 10.226 -19.115 9.646
107 HG LEU 17 HG LEU 17 12.670 -19.116 11.373
108 HD11 LEU 17 HD11 LEU 17 10.626 -21.301 11.123
109 HD12 LEU 17 HD12 LEU 17 11.348 -20.630 12.584
110 HD13 LEU 17 HD13 LEU 17 12.316 -21.630 11.502
111 HD21 LEU 17 HD21 LEU 17 13.638 -19.723 9.473
112 HD22 LEU 17 HD22 LEU 17 12.090 -19.558 8.645
113 HD23 LEU 17 HD23 LEU 17 12.559 -21.111 9.339
114 H LEU 18 HN LEU 18 9.088 -16.078 11.387
115 HA LEU 18 HA LEU 18 7.217 -16.065 9.314
116 HB2 LEU 18 HB1 LEU 18 7.573 -14.471 11.812
117 HB3 LEU 18 HB2 LEU 18 6.331 -14.000 10.653
118 HG LEU 18 HG LEU 18 5.626 -16.531 10.897
119 HD11 LEU 18 HD11 LEU 18 7.682 -16.337 12.808
120 HD12 LEU 18 HD12 LEU 18 6.578 -17.683 12.532
121 HD13 LEU 18 HD13 LEU 18 6.164 -16.429 13.701
122 HD21 LEU 18 HD21 LEU 18 3.937 -15.850 12.378
123 HD22 LEU 18 HD22 LEU 18 4.381 -14.391 11.492
124 HD23 LEU 18 HD23 LEU 18 4.971 -14.639 13.136
125 H DSG 19 HN DAS 19 9.298 -13.391 10.430
126 HB2 DSG 19 HB2 DAS 19 8.640 -10.424 7.746
127 HB3 DSG 19 HB1 DAS 19 7.570 -11.822 7.784
128 HD21 DSG 19 HD21 DAS 19 6.019 -11.867 9.253
129 HD22 DSG 19 HD22 DAS 19 5.898 -10.817 10.619
130 H LEU 20 HN LEU 20 10.559 -14.378 8.287
131 HA LEU 20 HA LEU 20 12.181 -13.662 6.073
132 HB2 LEU 20 HB1 LEU 20 12.332 -15.645 7.788
133 HB3 LEU 20 HB2 LEU 20 11.366 -16.485 6.577
134 HG LEU 20 HG LEU 20 13.179 -15.935 4.914
135 HD11 LEU 20 HD11 LEU 20 14.296 -14.130 5.978
136 HD12 LEU 20 HD12 LEU 20 15.421 -15.487 5.947
137 HD13 LEU 20 HD13 LEU 20 14.575 -15.078 7.439
138 HD21 LEU 20 HD21 LEU 20 13.525 -18.092 5.353
139 HD22 LEU 20 HD22 LEU 20 13.182 -17.881 7.070
140 HD23 LEU 20 HD23 LEU 20 14.801 -17.559 6.448
141 H VAL 21 HN VAL 21 8.887 -14.479 6.360
142 HA VAL 21 HA VAL 21 8.394 -15.739 3.902
143 HB VAL 21 HB VAL 21 6.773 -15.507 5.827
144 HG11 VAL 21 HG11 VAL 21 5.800 -12.972 4.630
145 HG12 VAL 21 HG12 VAL 21 5.669 -13.568 6.286
146 HG13 VAL 21 HG13 VAL 21 7.192 -12.890 5.710
147 HG21 VAL 21 HG21 VAL 21 5.527 -16.424 4.219
148 HG22 VAL 21 HG22 VAL 21 4.900 -14.803 3.920
149 HG23 VAL 21 HG23 VAL 21 6.255 -15.414 2.970
150 H DTH 22 HN DTH 22 8.882 -12.387 4.739
151 HB DTH 22 HB DTH 22 7.175 -11.850 1.530
152 HG21 DTH 22 HG21 DTH 22 5.912 -9.856 3.129
153 HG22 DTH 22 HG22 DTH 22 5.538 -11.577 3.042
154 HG23 DTH 22 HG23 DTH 22 6.715 -10.989 4.216
155 HG1 DTH 22 HG1 DTH 22 7.478 -9.079 2.032
156 H ALA 23 HN ALA 23 10.696 -12.986 2.967
157 HA ALA 23 HA ALA 23 12.497 -11.963 1.152
158 HB1 ALA 23 HB1 ALA 23 11.952 -14.843 1.853
159 HB2 ALA 23 HB2 ALA 23 13.360 -14.289 0.946
160 HB3 ALA 23 HB3 ALA 23 13.119 -13.759 2.611
161 H ALA 24 HN ALA 24 9.573 -13.766 0.550
162 HA ALA 24 HA ALA 24 10.012 -14.652 -2.049
163 HB1 ALA 24 HB1 ALA 24 7.437 -13.692 -0.805
164 HB2 ALA 24 HB2 ALA 24 7.565 -14.631 -2.293
165 HB3 ALA 24 HB3 ALA 24 8.076 -15.335 -0.760
166 H DTH 25 HN DTH 25 9.116 -11.471 -0.860
167 HB DTH 25 HB DTH 25 8.356 -10.900 -4.470
168 HG21 DTH 25 HG21 DTH 25 5.924 -10.178 -3.468
169 HG22 DTH 25 HG22 DTH 25 6.602 -11.800 -3.333
170 HG23 DTH 25 HG23 DTH 25 6.762 -10.663 -1.995
171 HG1 DTH 25 HG1 DTH 25 7.422 -8.968 -5.000
172 H GLY 26 HN GLY 26 11.478 -10.811 -1.741
173 HA2 GLY 26 HA1 GLY 26 13.094 -9.033 -3.123
174 HA3 GLY 26 HA2 GLY 26 13.629 -10.591 -2.512
175 H ALA 27 HN ALA 27 11.623 -11.974 -4.250
176 HA ALA 27 HA ALA 27 13.285 -12.601 -6.397
177 HB1 ALA 27 HB1 ALA 27 11.523 -14.088 -5.639
178 HB2 ALA 27 HB2 ALA 27 10.296 -12.940 -6.177
179 HB3 ALA 27 HB3 ALA 27 11.334 -13.739 -7.358
180 H DSN 28 HN DSN 28 11.032 -10.009 -5.990
181 HB2 DSN 28 HB2 DSN 28 9.730 -8.667 -9.524
182 HB3 DSN 28 HB1 DSN 28 10.816 -10.047 -9.689
183 HG DSN 28 HG DSN 28 8.655 -10.695 -9.302
184 H THR 29 HN THR 29 13.154 -8.486 -6.570
185 HA THR 29 HA THR 29 14.339 -6.721 -8.503
186 HB THR 29 HB THR 29 16.240 -6.603 -6.959
187 HG1 THR 29 HG1 THR 29 14.877 -8.325 -5.183
188 HG21 THR 29 HG21 THR 29 13.709 -5.656 -6.511
189 HG22 THR 29 HG22 THR 29 15.142 -5.199 -5.590
190 HG23 THR 29 HG23 THR 29 14.077 -6.470 -4.991
191 H ALA 30 HN ALA 30 14.918 -10.025 -7.378
192 HA ALA 30 HA ALA 30 17.164 -10.380 -9.166
193 HB1 ALA 30 HB1 ALA 30 17.375 -12.562 -8.226
194 HB2 ALA 30 HB2 ALA 30 17.027 -11.444 -6.907
195 HB3 ALA 30 HB3 ALA 30 15.752 -12.485 -7.539
196 H SER 31 HN SER 31 15.260 -9.649 -10.811
197 HA SER 31 HA SER 31 13.740 -11.906 -11.795
198 HB2 SER 31 HB1 SER 31 12.759 -9.655 -11.862
199 HB3 SER 31 HB2 SER 31 14.062 -9.112 -12.919
200 HG SER 31 HG SER 31 12.548 -11.338 -13.685
Start of MODEL 17
1 H1 ASP 1 HN ASP 1 2.780 -4.797 1.756
2 HA ASP 1 HA ASP 1 4.926 -4.646 0.764
3 HB2 ASP 1 HB1 ASP 1 6.145 -6.656 1.538
4 HB3 ASP 1 HB2 ASP 1 5.039 -6.034 2.759
5 H TRP 2 HN TRP 2 2.986 -5.288 -1.297
6 HA TRP 2 HA TRP 2 3.803 -7.481 -2.863
7 HB2 TRP 2 HB1 TRP 2 2.520 -4.902 -3.789
8 HB3 TRP 2 HB2 TRP 2 2.560 -6.420 -4.680
9 HD1 TRP 2 HD1 TRP 2 1.698 -8.398 -2.354
10 HE1 TRP 2 HE1 TRP 2 -0.721 -8.351 -1.476
11 HE3 TRP 2 HE3 TRP 2 0.377 -3.698 -3.869
12 HZ2 TRP 2 HZ2 TRP 2 -2.901 -6.559 -1.432
13 HZ3 TRP 2 HZ3 TRP 2 -1.894 -2.893 -3.370
14 HH2 TRP 2 HH2 TRP 2 -3.498 -4.295 -2.178
15 H THR 3 HN THR 3 5.032 -4.238 -2.537
16 HA THR 3 HA THR 3 6.573 -4.187 -4.922
17 HB THR 3 HB THR 3 7.334 -2.643 -2.462
18 HG1 THR 3 HG1 THR 3 5.354 -1.890 -2.443
19 HG21 THR 3 HG21 THR 3 7.146 -1.338 -5.083
20 HG22 THR 3 HG22 THR 3 8.317 -2.654 -5.008
21 HG23 THR 3 HG23 THR 3 8.441 -1.298 -3.887
22 H CYS 4 HN CYS 4 8.629 -4.822 -5.333
23 HA CYS 4 HA CYS 4 9.801 -6.815 -3.699
24 HB2 CYS 4 HB1 CYS 4 10.941 -5.273 -6.039
25 HB3 CYS 4 HB2 CYS 4 11.697 -6.686 -5.308
26 H TRP 5 HN TRP 5 10.110 -3.382 -3.824
27 HA TRP 5 HA TRP 5 12.673 -3.174 -2.607
28 HB2 TRP 5 HB1 TRP 5 10.426 -1.312 -3.201
29 HB3 TRP 5 HB2 TRP 5 11.596 -0.813 -1.982
30 HD1 TRP 5 HD1 TRP 5 14.050 -0.211 -2.804
31 HE1 TRP 5 HE1 TRP 5 15.031 0.279 -5.133
32 HE3 TRP 5 HE3 TRP 5 10.218 -1.983 -5.687
33 HZ2 TRP 5 HZ2 TRP 5 14.279 -0.043 -7.834
34 HZ3 TRP 5 HZ3 TRP 5 10.428 -1.855 -8.135
35 HH2 TRP 5 HH2 TRP 5 12.417 -0.904 -9.185
36 H SER 6 HN SER 6 9.356 -3.068 -1.358
37 HA SER 6 HA SER 6 10.024 -2.519 1.321
38 HB2 SER 6 HB1 SER 6 7.755 -2.203 0.558
39 HB3 SER 6 HB2 SER 6 7.614 -3.908 0.128
40 HG SER 6 HG SER 6 7.542 -4.449 2.241
41 H CYS 7 HN CYS 7 10.161 -5.413 -0.554
42 HA CYS 7 HA CYS 7 10.057 -7.296 1.562
43 HB2 CYS 7 HB1 CYS 7 11.130 -7.403 -1.251
44 HB3 CYS 7 HB2 CYS 7 11.267 -8.775 -0.156
45 H LEU 8 HN LEU 8 12.389 -5.024 0.692
46 HA LEU 8 HA LEU 8 14.789 -6.353 1.257
47 HB2 LEU 8 HB1 LEU 8 14.872 -4.236 0.194
48 HB3 LEU 8 HB2 LEU 8 13.974 -3.470 1.503
49 HG LEU 8 HG LEU 8 16.564 -4.667 2.254
50 HD11 LEU 8 HD11 LEU 8 17.907 -2.935 1.324
51 HD12 LEU 8 HD12 LEU 8 16.495 -2.108 0.669
52 HD13 LEU 8 HD13 LEU 8 16.993 -3.663 0.003
53 HD21 LEU 8 HD21 LEU 8 16.287 -1.957 2.992
54 HD22 LEU 8 HD22 LEU 8 16.130 -3.387 4.012
55 HD23 LEU 8 HD23 LEU 8 14.711 -2.717 3.207
56 H VAL 9 HN VAL 9 12.695 -4.414 3.382
57 HA VAL 9 HA VAL 9 14.231 -4.777 5.721
58 HB VAL 9 HB VAL 9 12.495 -3.014 5.436
59 HG11 VAL 9 HG11 VAL 9 10.244 -4.526 6.353
60 HG12 VAL 9 HG12 VAL 9 10.395 -3.516 4.914
61 HG13 VAL 9 HG13 VAL 9 10.849 -5.219 4.848
62 HG21 VAL 9 HG21 VAL 9 13.389 -4.057 7.682
63 HG22 VAL 9 HG22 VAL 9 12.102 -2.851 7.688
64 HG23 VAL 9 HG23 VAL 9 11.708 -4.562 7.855
65 H CYS 10 HN CYS 10 12.162 -6.884 4.018
66 HA CYS 10 HA CYS 10 11.224 -8.481 6.161
67 HB2 CYS 10 HB1 CYS 10 10.875 -8.404 3.385
68 HB3 CYS 10 HB2 CYS 10 11.602 -9.975 3.707
69 H ALA 11 HN ALA 11 14.230 -8.324 4.444
70 HA ALA 11 HA ALA 11 15.190 -10.918 5.097
71 HB1 ALA 11 HB1 ALA 11 16.209 -8.535 3.792
72 HB2 ALA 11 HB2 ALA 11 17.431 -9.331 4.784
73 HB3 ALA 11 HB3 ALA 11 16.601 -10.232 3.515
74 H ALA 12 HN ALA 12 14.605 -8.222 7.001
75 HA ALA 12 HA ALA 12 16.787 -8.396 8.822
76 HB1 ALA 12 HB1 ALA 12 14.058 -7.285 9.431
77 HB2 ALA 12 HB2 ALA 12 15.601 -6.851 10.167
78 HB3 ALA 12 HB3 ALA 12 15.268 -6.409 8.493
79 H CYS 13 HN CYS 13 14.194 -10.436 8.242
80 HA CYS 13 HA CYS 13 13.675 -11.292 10.924
81 HB2 CYS 13 HB1 CYS 13 12.873 -12.176 8.195
82 HB3 CYS 13 HB2 CYS 13 12.740 -13.347 9.503
83 H SER 14 HN SER 14 15.524 -11.944 11.941
84 HA SER 14 HA SER 14 17.215 -13.951 10.657
85 HB2 SER 14 HB1 SER 14 17.532 -12.284 13.153
86 HB3 SER 14 HB2 SER 14 18.633 -13.601 12.751
87 HG SER 14 HG SER 14 18.256 -11.135 11.480
88 H VAL 15 HN VAL 15 16.044 -13.556 14.000
89 HA VAL 15 HA VAL 15 15.984 -16.421 14.362
90 HB VAL 15 HB VAL 15 15.075 -14.255 16.262
91 HG11 VAL 15 HG11 VAL 15 14.137 -16.223 17.059
92 HG12 VAL 15 HG12 VAL 15 15.502 -17.207 16.528
93 HG13 VAL 15 HG13 VAL 15 15.671 -16.143 17.925
94 HG21 VAL 15 HG21 VAL 15 17.681 -14.877 15.364
95 HG22 VAL 15 HG22 VAL 15 17.208 -13.780 16.661
96 HG23 VAL 15 HG23 VAL 15 17.540 -15.475 17.018
97 H GLU 16 HN GLU 16 13.786 -13.980 13.410
98 HA GLU 16 HA GLU 16 11.450 -15.597 14.106
99 HB2 GLU 16 HB1 GLU 16 11.745 -12.964 14.329
100 HB3 GLU 16 HB2 GLU 16 11.203 -13.004 12.657
101 HG2 GLU 16 HG1 GLU 16 9.235 -14.360 13.449
102 HG3 GLU 16 HG2 GLU 16 9.742 -13.977 15.093
103 H LEU 17 HN LEU 17 11.516 -17.279 12.650
104 HA LEU 17 HA LEU 17 12.122 -17.144 9.943
105 HB2 LEU 17 HB1 LEU 17 11.807 -19.200 11.372
106 HB3 LEU 17 HB2 LEU 17 10.072 -18.988 11.148
107 HG LEU 17 HG LEU 17 10.424 -19.231 8.694
108 HD11 LEU 17 HD11 LEU 17 13.228 -19.921 9.554
109 HD12 LEU 17 HD12 LEU 17 12.734 -18.578 8.524
110 HD13 LEU 17 HD13 LEU 17 12.558 -20.238 7.954
111 HD21 LEU 17 HD21 LEU 17 11.494 -21.754 9.365
112 HD22 LEU 17 HD22 LEU 17 9.802 -21.317 9.122
113 HD23 LEU 17 HD23 LEU 17 10.515 -21.226 10.734
114 H LEU 18 HN LEU 18 9.279 -16.149 11.632
115 HA LEU 18 HA LEU 18 7.376 -16.258 9.586
116 HB2 LEU 18 HB1 LEU 18 7.711 -14.740 12.102
117 HB3 LEU 18 HB2 LEU 18 6.572 -14.081 10.930
118 HG LEU 18 HG LEU 18 5.483 -15.478 12.637
119 HD11 LEU 18 HD11 LEU 18 4.785 -15.290 10.140
120 HD12 LEU 18 HD12 LEU 18 4.007 -16.483 11.180
121 HD13 LEU 18 HD13 LEU 18 5.279 -16.982 10.065
122 HD21 LEU 18 HD21 LEU 18 5.903 -17.764 12.895
123 HD22 LEU 18 HD22 LEU 18 7.506 -17.033 12.812
124 HD23 LEU 18 HD23 LEU 18 6.837 -17.854 11.401
125 H DSG 19 HN DAS 19 9.413 -13.506 10.589
126 HB2 DSG 19 HB2 DAS 19 8.631 -10.442 8.225
127 HB3 DSG 19 HB1 DAS 19 7.809 -11.878 7.623
128 HD21 DSG 19 HD21 DAS 19 5.796 -11.245 8.293
129 HD22 DSG 19 HD22 DAS 19 5.338 -11.172 9.957
130 H LEU 20 HN LEU 20 10.658 -14.511 8.452
131 HA LEU 20 HA LEU 20 12.295 -13.872 6.265
132 HB2 LEU 20 HB1 LEU 20 12.019 -16.010 7.932
133 HB3 LEU 20 HB2 LEU 20 11.393 -16.658 6.417
134 HG LEU 20 HG LEU 20 13.700 -17.236 6.571
135 HD11 LEU 20 HD11 LEU 20 13.636 -14.877 4.714
136 HD12 LEU 20 HD12 LEU 20 12.752 -16.365 4.381
137 HD13 LEU 20 HD13 LEU 20 14.508 -16.399 4.531
138 HD21 LEU 20 HD21 LEU 20 15.449 -15.776 7.078
139 HD22 LEU 20 HD22 LEU 20 14.175 -15.320 8.209
140 HD23 LEU 20 HD23 LEU 20 14.469 -14.343 6.769
141 H VAL 21 HN VAL 21 8.951 -14.724 6.458
142 HA VAL 21 HA VAL 21 8.531 -15.713 3.865
143 HB VAL 21 HB VAL 21 6.201 -15.244 4.179
144 HG11 VAL 21 HG11 VAL 21 6.450 -15.806 6.948
145 HG12 VAL 21 HG12 VAL 21 6.134 -16.928 5.623
146 HG13 VAL 21 HG13 VAL 21 7.793 -16.585 6.113
147 HG21 VAL 21 HG21 VAL 21 7.231 -13.141 5.968
148 HG22 VAL 21 HG22 VAL 21 5.801 -13.153 4.935
149 HG23 VAL 21 HG23 VAL 21 5.761 -13.955 6.506
150 H DTH 22 HN DTH 22 8.929 -12.473 5.079
151 HB DTH 22 HB DTH 22 7.196 -11.564 1.943
152 HG21 DTH 22 HG21 DTH 22 6.726 -11.159 4.736
153 HG22 DTH 22 HG22 DTH 22 5.867 -9.906 3.840
154 HG23 DTH 22 HG23 DTH 22 5.566 -11.607 3.486
155 HG1 DTH 22 HG1 DTH 22 7.347 -8.901 2.876
156 H ALA 23 HN ALA 23 10.842 -12.698 3.316
157 HA ALA 23 HA ALA 23 12.480 -11.430 1.488
158 HB1 ALA 23 HB1 ALA 23 12.264 -14.375 2.097
159 HB2 ALA 23 HB2 ALA 23 13.590 -13.627 1.206
160 HB3 ALA 23 HB3 ALA 23 13.310 -13.198 2.893
161 H ALA 24 HN ALA 24 9.723 -13.481 0.923
162 HA ALA 24 HA ALA 24 10.142 -14.310 -1.684
163 HB1 ALA 24 HB1 ALA 24 7.985 -14.973 -1.655
164 HB2 ALA 24 HB2 ALA 24 8.121 -14.592 0.062
165 HB3 ALA 24 HB3 ALA 24 7.402 -13.424 -1.046
166 H DTH 25 HN DTH 25 9.237 -11.162 -0.468
167 HB DTH 25 HB DTH 25 8.181 -10.628 -3.993
168 HG21 DTH 25 HG21 DTH 25 5.896 -10.554 -3.197
169 HG22 DTH 25 HG22 DTH 25 6.873 -11.390 -1.989
170 HG23 DTH 25 HG23 DTH 25 6.392 -9.713 -1.729
171 HG1 DTH 25 HG1 DTH 25 6.823 -8.568 -3.974
172 H GLY 26 HN GLY 26 11.526 -10.484 -1.538
173 HA2 GLY 26 HA1 GLY 26 13.000 -8.701 -3.079
174 HA3 GLY 26 HA2 GLY 26 13.609 -10.233 -2.470
175 H ALA 27 HN ALA 27 11.452 -11.652 -4.029
176 HA ALA 27 HA ALA 27 12.959 -12.359 -6.263
177 HB1 ALA 27 HB1 ALA 27 11.395 -13.944 -5.681
178 HB2 ALA 27 HB2 ALA 27 10.105 -12.757 -5.486
179 HB3 ALA 27 HB3 ALA 27 10.643 -13.216 -7.101
180 H DSN 28 HN DSN 28 10.769 -9.724 -5.780
181 HB2 DSN 28 HB2 DSN 28 9.225 -8.385 -9.204
182 HB3 DSN 28 HB1 DSN 28 10.055 -9.936 -9.322
183 HG DSN 28 HG DSN 28 8.556 -10.801 -8.138
184 H THR 29 HN THR 29 12.981 -8.318 -6.729
185 HA THR 29 HA THR 29 14.003 -6.825 -8.963
186 HB THR 29 HB THR 29 16.062 -6.643 -7.709
187 HG1 THR 29 HG1 THR 29 16.029 -7.774 -5.559
188 HG21 THR 29 HG21 THR 29 15.059 -5.068 -6.496
189 HG22 THR 29 HG22 THR 29 14.549 -6.293 -5.334
190 HG23 THR 29 HG23 THR 29 13.509 -5.884 -6.699
191 H ALA 30 HN ALA 30 14.526 -10.050 -7.599
192 HA ALA 30 HA ALA 30 16.456 -10.737 -9.642
193 HB1 ALA 30 HB1 ALA 30 16.439 -11.555 -7.206
194 HB2 ALA 30 HB2 ALA 30 15.202 -12.691 -7.746
195 HB3 ALA 30 HB3 ALA 30 16.807 -12.723 -8.475
196 H SER 31 HN SER 31 14.372 -10.023 -11.063
197 HA SER 31 HA SER 31 12.606 -12.259 -11.587
198 HB2 SER 31 HB1 SER 31 11.742 -9.955 -11.705
199 HB3 SER 31 HB2 SER 31 12.870 -9.600 -13.013
200 HG SER 31 HG SER 31 10.498 -11.013 -13.051
Start of MODEL 18
1 H1 ASP 1 HN ASP 1 3.152 -2.783 0.287
2 HA ASP 1 HA ASP 1 5.016 -4.919 1.084
3 HB2 ASP 1 HB1 ASP 1 2.900 -4.983 2.301
4 HB3 ASP 1 HB2 ASP 1 2.007 -5.000 0.782
5 H TRP 2 HN TRP 2 2.831 -3.819 -1.458
6 HA TRP 2 HA TRP 2 3.174 -5.983 -3.218
7 HB2 TRP 2 HB1 TRP 2 1.368 -4.411 -3.547
8 HB3 TRP 2 HB2 TRP 2 2.507 -3.086 -3.769
9 HD1 TRP 2 HD1 TRP 2 0.897 -5.988 -5.613
10 HE1 TRP 2 HE1 TRP 2 1.482 -5.822 -8.114
11 HE3 TRP 2 HE3 TRP 2 4.375 -2.248 -5.387
12 HZ2 TRP 2 HZ2 TRP 2 3.193 -4.307 -9.772
13 HZ3 TRP 2 HZ3 TRP 2 5.439 -1.499 -7.475
14 HH2 TRP 2 HH2 TRP 2 4.859 -2.509 -9.621
15 H THR 3 HN THR 3 5.128 -3.168 -2.564
16 HA THR 3 HA THR 3 6.748 -3.302 -4.893
17 HB THR 3 HB THR 3 8.403 -2.017 -3.319
18 HG1 THR 3 HG1 THR 3 7.350 -1.099 -1.532
19 HG21 THR 3 HG21 THR 3 7.617 -0.311 -4.515
20 HG22 THR 3 HG22 THR 3 6.187 -0.228 -3.486
21 HG23 THR 3 HG23 THR 3 6.187 -1.262 -4.914
22 H CYS 4 HN CYS 4 8.487 -4.508 -5.353
23 HA CYS 4 HA CYS 4 9.121 -6.777 -3.792
24 HB2 CYS 4 HB1 CYS 4 10.327 -5.497 -6.223
25 HB3 CYS 4 HB2 CYS 4 11.161 -6.825 -5.422
26 H TRP 5 HN TRP 5 10.319 -3.539 -3.825
27 HA TRP 5 HA TRP 5 12.831 -4.083 -2.574
28 HB2 TRP 5 HB1 TRP 5 11.219 -1.561 -2.953
29 HB3 TRP 5 HB2 TRP 5 12.758 -1.578 -2.096
30 HD1 TRP 5 HD1 TRP 5 14.971 -1.974 -3.548
31 HE1 TRP 5 HE1 TRP 5 15.437 -1.739 -6.068
32 HE3 TRP 5 HE3 TRP 5 10.154 -1.872 -5.257
33 HZ2 TRP 5 HZ2 TRP 5 13.958 -1.537 -8.464
34 HZ3 TRP 5 HZ3 TRP 5 9.766 -1.655 -7.677
35 HH2 TRP 5 HH2 TRP 5 11.630 -1.490 -9.245
36 H SER 6 HN SER 6 9.606 -3.245 -1.444
37 HA SER 6 HA SER 6 10.235 -2.665 1.225
38 HB2 SER 6 HB1 SER 6 8.067 -2.060 0.621
39 HB3 SER 6 HB2 SER 6 7.752 -3.600 -0.178
40 HG SER 6 HG SER 6 7.238 -4.485 1.691
41 H CYS 7 HN CYS 7 10.181 -5.638 -0.484
42 HA CYS 7 HA CYS 7 9.700 -7.390 1.698
43 HB2 CYS 7 HB1 CYS 7 10.937 -7.750 -1.023
44 HB3 CYS 7 HB2 CYS 7 10.871 -9.073 0.138
45 H LEU 8 HN LEU 8 12.315 -5.418 0.938
46 HA LEU 8 HA LEU 8 14.505 -6.982 1.747
47 HB2 LEU 8 HB1 LEU 8 15.745 -5.012 1.772
48 HB3 LEU 8 HB2 LEU 8 14.492 -4.721 0.568
49 HG LEU 8 HG LEU 8 13.278 -3.627 2.670
50 HD11 LEU 8 HD11 LEU 8 14.574 -3.402 4.454
51 HD12 LEU 8 HD12 LEU 8 15.647 -2.371 3.508
52 HD13 LEU 8 HD13 LEU 8 15.944 -4.107 3.596
53 HD21 LEU 8 HD21 LEU 8 14.454 -2.729 0.371
54 HD22 LEU 8 HD22 LEU 8 15.313 -1.815 1.611
55 HD23 LEU 8 HD23 LEU 8 13.554 -1.731 1.514
56 H VAL 9 HN VAL 9 12.069 -5.273 3.547
57 HA VAL 9 HA VAL 9 13.404 -5.112 6.029
58 HB VAL 9 HB VAL 9 11.351 -3.836 5.490
59 HG11 VAL 9 HG11 VAL 9 9.589 -6.090 6.196
60 HG12 VAL 9 HG12 VAL 9 9.344 -4.769 5.051
61 HG13 VAL 9 HG13 VAL 9 10.325 -6.162 4.595
62 HG21 VAL 9 HG21 VAL 9 10.496 -3.832 7.676
63 HG22 VAL 9 HG22 VAL 9 10.845 -5.545 7.909
64 HG23 VAL 9 HG23 VAL 9 12.165 -4.377 7.849
65 H CYS 10 HN CYS 10 11.857 -7.717 4.370
66 HA CYS 10 HA CYS 10 11.278 -9.367 6.596
67 HB2 CYS 10 HB1 CYS 10 11.749 -9.987 3.678
68 HB3 CYS 10 HB2 CYS 10 11.302 -11.216 4.857
69 H ALA 11 HN ALA 11 14.180 -8.705 4.809
70 HA ALA 11 HA ALA 11 15.663 -10.999 5.538
71 HB1 ALA 11 HB1 ALA 11 16.538 -9.802 3.744
72 HB2 ALA 11 HB2 ALA 11 16.420 -8.258 4.590
73 HB3 ALA 11 HB3 ALA 11 17.647 -9.433 5.065
74 H ALA 12 HN ALA 12 14.581 -8.360 7.360
75 HA ALA 12 HA ALA 12 16.724 -8.166 9.226
76 HB1 ALA 12 HB1 ALA 12 15.243 -6.811 10.541
77 HB2 ALA 12 HB2 ALA 12 15.036 -6.385 8.841
78 HB3 ALA 12 HB3 ALA 12 13.840 -7.400 9.648
79 H CYS 13 HN CYS 13 14.260 -10.458 8.735
80 HA CYS 13 HA CYS 13 13.972 -11.322 11.450
81 HB2 CYS 13 HB1 CYS 13 13.212 -12.560 8.805
82 HB3 CYS 13 HB2 CYS 13 12.903 -13.349 10.349
83 H SER 14 HN SER 14 15.801 -11.978 12.433
84 HA SER 14 HA SER 14 17.386 -14.070 11.090
85 HB2 SER 14 HB1 SER 14 19.183 -13.233 12.818
86 HB3 SER 14 HB2 SER 14 18.924 -12.350 11.314
87 HG SER 14 HG SER 14 18.388 -10.699 12.478
88 H VAL 15 HN VAL 15 15.861 -13.007 14.059
89 HA VAL 15 HA VAL 15 16.732 -15.313 15.565
90 HB VAL 15 HB VAL 15 14.605 -13.301 16.305
91 HG11 VAL 15 HG11 VAL 15 14.300 -14.922 17.865
92 HG12 VAL 15 HG12 VAL 15 15.943 -15.546 17.702
93 HG13 VAL 15 HG13 VAL 15 15.644 -14.078 18.633
94 HG21 VAL 15 HG21 VAL 15 17.577 -13.263 16.811
95 HG22 VAL 15 HG22 VAL 15 16.641 -12.100 15.873
96 HG23 VAL 15 HG23 VAL 15 16.416 -12.210 17.619
97 H GLU 16 HN GLU 16 14.160 -14.542 13.449
98 HA GLU 16 HA GLU 16 12.920 -17.127 14.014
99 HB2 GLU 16 HB1 GLU 16 11.750 -15.050 15.149
100 HB3 GLU 16 HB2 GLU 16 11.101 -14.806 13.534
101 HG2 GLU 16 HG1 GLU 16 9.501 -16.056 14.738
102 HG3 GLU 16 HG2 GLU 16 10.272 -17.167 13.608
103 H LEU 17 HN LEU 17 11.523 -17.877 12.271
104 HA LEU 17 HA LEU 17 12.560 -17.023 9.687
105 HB2 LEU 17 HB1 LEU 17 12.180 -19.473 10.657
106 HB3 LEU 17 HB2 LEU 17 10.595 -19.233 9.925
107 HG LEU 17 HG LEU 17 12.000 -18.597 7.808
108 HD11 LEU 17 HD11 LEU 17 14.200 -18.733 8.138
109 HD12 LEU 17 HD12 LEU 17 13.980 -20.482 8.123
110 HD13 LEU 17 HD13 LEU 17 14.005 -19.610 9.656
111 HD21 LEU 17 HD21 LEU 17 10.569 -20.409 7.614
112 HD22 LEU 17 HD22 LEU 17 11.372 -21.313 8.899
113 HD23 LEU 17 HD23 LEU 17 12.150 -21.136 7.325
114 H LEU 18 HN LEU 18 9.913 -16.374 11.627
115 HA LEU 18 HA LEU 18 7.766 -16.267 9.855
116 HB2 LEU 18 HB1 LEU 18 8.466 -14.658 12.289
117 HB3 LEU 18 HB2 LEU 18 6.982 -14.368 11.385
118 HG LEU 18 HG LEU 18 7.669 -17.054 12.555
119 HD11 LEU 18 HD11 LEU 18 5.792 -16.167 14.220
120 HD12 LEU 18 HD12 LEU 18 6.569 -14.629 13.849
121 HD13 LEU 18 HD13 LEU 18 7.515 -15.952 14.530
122 HD21 LEU 18 HD21 LEU 18 4.998 -15.871 11.829
123 HD22 LEU 18 HD22 LEU 18 5.369 -17.547 12.232
124 HD23 LEU 18 HD23 LEU 18 5.960 -16.851 10.722
125 H DSG 19 HN DAS 19 9.848 -13.540 10.847
126 HB2 DSG 19 HB2 DAS 19 8.823 -10.382 8.737
127 HB3 DSG 19 HB1 DAS 19 8.037 -11.798 8.045
128 HD21 DSG 19 HD21 DAS 19 6.085 -11.949 8.867
129 HD22 DSG 19 HD22 DAS 19 5.669 -11.789 10.537
130 H LEU 20 HN LEU 20 10.990 -14.393 8.586
131 HA LEU 20 HA LEU 20 12.397 -13.533 6.283
132 HB2 LEU 20 HB1 LEU 20 12.252 -15.860 7.908
133 HB3 LEU 20 HB2 LEU 20 12.045 -16.352 6.228
134 HG LEU 20 HG LEU 20 14.236 -14.574 6.293
135 HD11 LEU 20 HD11 LEU 20 14.679 -16.787 8.266
136 HD12 LEU 20 HD12 LEU 20 14.167 -15.180 8.780
137 HD13 LEU 20 HD13 LEU 20 15.694 -15.386 7.923
138 HD21 LEU 20 HD21 LEU 20 14.352 -16.185 4.680
139 HD22 LEU 20 HD22 LEU 20 13.738 -17.453 5.742
140 HD23 LEU 20 HD23 LEU 20 15.408 -16.906 5.895
141 H VAL 21 HN VAL 21 9.174 -14.517 6.777
142 HA VAL 21 HA VAL 21 8.557 -15.722 4.320
143 HB VAL 21 HB VAL 21 7.070 -15.635 6.353
144 HG11 VAL 21 HG11 VAL 21 5.951 -13.764 6.995
145 HG12 VAL 21 HG12 VAL 21 7.381 -12.991 6.309
146 HG13 VAL 21 HG13 VAL 21 5.897 -13.101 5.362
147 HG21 VAL 21 HG21 VAL 21 4.955 -15.344 4.950
148 HG22 VAL 21 HG22 VAL 21 6.040 -14.988 3.606
149 HG23 VAL 21 HG23 VAL 21 6.121 -16.554 4.413
150 H DTH 22 HN DTH 22 8.968 -12.379 5.229
151 HB DTH 22 HB DTH 22 7.010 -11.811 2.159
152 HG21 DTH 22 HG21 DTH 22 5.811 -9.947 3.983
153 HG22 DTH 22 HG22 DTH 22 5.444 -11.658 3.761
154 HG23 DTH 22 HG23 DTH 22 6.691 -11.165 4.905
155 HG1 DTH 22 HG1 DTH 22 6.820 -9.862 1.325
156 H ALA 23 HN ALA 23 10.670 -12.839 3.312
157 HA ALA 23 HA ALA 23 12.275 -11.680 1.394
158 HB1 ALA 23 HB1 ALA 23 12.866 -13.600 2.889
159 HB2 ALA 23 HB2 ALA 23 11.991 -14.653 1.777
160 HB3 ALA 23 HB3 ALA 23 13.410 -13.767 1.219
161 H ALA 24 HN ALA 24 9.391 -13.586 0.973
162 HA ALA 24 HA ALA 24 9.659 -14.429 -1.659
163 HB1 ALA 24 HB1 ALA 24 7.636 -14.414 0.257
164 HB2 ALA 24 HB2 ALA 24 6.961 -13.560 -1.131
165 HB3 ALA 24 HB3 ALA 24 7.600 -15.193 -1.325
166 H DTH 25 HN DTH 25 8.755 -11.283 -0.379
167 HB DTH 25 HB DTH 25 7.741 -10.714 -3.917
168 HG21 DTH 25 HG21 DTH 25 6.107 -10.129 -1.446
169 HG22 DTH 25 HG22 DTH 25 5.365 -10.361 -3.029
170 HG23 DTH 25 HG23 DTH 25 6.292 -11.666 -2.289
171 HG1 DTH 25 HG1 DTH 25 7.932 -8.499 -4.176
172 H GLY 26 HN GLY 26 11.023 -10.745 -1.531
173 HA2 GLY 26 HA1 GLY 26 12.496 -8.846 -2.991
174 HA3 GLY 26 HA2 GLY 26 13.121 -10.372 -2.383
175 H ALA 27 HN ALA 27 11.038 -11.846 -3.959
176 HA ALA 27 HA ALA 27 12.577 -12.486 -6.192
177 HB1 ALA 27 HB1 ALA 27 10.943 -13.991 -6.726
178 HB2 ALA 27 HB2 ALA 27 10.537 -13.691 -5.036
179 HB3 ALA 27 HB3 ALA 27 9.633 -12.883 -6.317
180 H DSN 28 HN DSN 28 10.307 -9.928 -5.698
181 HB2 DSN 28 HB2 DSN 28 8.896 -8.693 -9.286
182 HB3 DSN 28 HB1 DSN 28 9.669 -10.275 -9.177
183 HG DSN 28 HG DSN 28 7.246 -9.751 -8.508
184 H THR 29 HN THR 29 12.475 -8.620 -6.609
185 HA THR 29 HA THR 29 13.467 -6.847 -8.646
186 HB THR 29 HB THR 29 15.547 -6.823 -7.383
187 HG1 THR 29 HG1 THR 29 15.938 -8.754 -6.531
188 HG21 THR 29 HG21 THR 29 14.749 -5.602 -5.626
189 HG22 THR 29 HG22 THR 29 13.543 -6.813 -5.190
190 HG23 THR 29 HG23 THR 29 13.259 -5.738 -6.558
191 H ALA 30 HN ALA 30 13.557 -10.248 -8.012
192 HA ALA 30 HA ALA 30 15.799 -10.763 -9.761
193 HB1 ALA 30 HB1 ALA 30 15.741 -12.909 -9.005
194 HB2 ALA 30 HB2 ALA 30 14.902 -12.121 -7.668
195 HB3 ALA 30 HB3 ALA 30 13.980 -12.951 -8.921
196 H SER 31 HN SER 31 12.350 -10.578 -10.000
197 HA SER 31 HA SER 31 12.219 -12.015 -12.507
198 HB2 SER 31 HB1 SER 31 10.373 -11.931 -10.727
199 HB3 SER 31 HB2 SER 31 10.027 -10.310 -11.329
200 HG SER 31 HG SER 31 9.109 -11.152 -13.022
Start of MODEL 19
1 H1 ASP 1 HN ASP 1 0.757 -5.235 -2.315
2 HA ASP 1 HA ASP 1 1.171 -2.936 -4.113
3 HB2 ASP 1 HB1 ASP 1 0.406 -3.012 -1.193
4 HB3 ASP 1 HB2 ASP 1 0.964 -1.549 -2.001
5 H TRP 2 HN TRP 2 2.543 -5.022 -1.704
6 HA TRP 2 HA TRP 2 4.801 -3.515 -0.994
7 HB2 TRP 2 HB1 TRP 2 4.264 -6.480 -1.041
8 HB3 TRP 2 HB2 TRP 2 5.805 -5.822 -0.499
9 HD1 TRP 2 HD1 TRP 2 4.890 -3.424 1.266
10 HE1 TRP 2 HE1 TRP 2 3.609 -3.818 3.463
11 HE3 TRP 2 HE3 TRP 2 3.079 -8.110 0.319
12 HZ2 TRP 2 HZ2 TRP 2 2.039 -5.848 4.640
13 HZ3 TRP 2 HZ3 TRP 2 1.696 -9.208 2.032
14 HH2 TRP 2 HH2 TRP 2 1.188 -8.099 4.147
15 H THR 3 HN THR 3 6.336 -2.770 -2.288
16 HA THR 3 HA THR 3 6.756 -3.688 -4.931
17 HB THR 3 HB THR 3 8.699 -2.191 -4.969
18 HG1 THR 3 HG1 THR 3 8.181 -1.498 -2.278
19 HG21 THR 3 HG21 THR 3 7.055 -0.729 -5.403
20 HG22 THR 3 HG22 THR 3 7.254 -0.196 -3.734
21 HG23 THR 3 HG23 THR 3 6.021 -1.389 -4.137
22 H CYS 4 HN CYS 4 8.938 -4.378 -5.749
23 HA CYS 4 HA CYS 4 9.686 -6.813 -4.508
24 HB2 CYS 4 HB1 CYS 4 10.720 -5.234 -6.841
25 HB3 CYS 4 HB2 CYS 4 11.625 -6.624 -6.248
26 H TRP 5 HN TRP 5 11.207 -3.626 -4.698
27 HA TRP 5 HA TRP 5 13.590 -4.388 -3.342
28 HB2 TRP 5 HB1 TRP 5 14.104 -2.037 -3.272
29 HB3 TRP 5 HB2 TRP 5 13.375 -2.392 -4.836
30 HD1 TRP 5 HD1 TRP 5 12.463 -0.778 -1.447
31 HE1 TRP 5 HE1 TRP 5 10.562 0.910 -1.851
32 HE3 TRP 5 HE3 TRP 5 11.574 -1.723 -6.392
33 HZ2 TRP 5 HZ2 TRP 5 8.905 1.732 -3.983
34 HZ3 TRP 5 HZ3 TRP 5 9.814 -0.443 -7.540
35 HH2 TRP 5 HH2 TRP 5 8.507 1.248 -6.358
36 H SER 6 HN SER 6 10.438 -3.325 -2.318
37 HA SER 6 HA SER 6 11.089 -2.509 0.301
38 HB2 SER 6 HB1 SER 6 8.963 -1.846 -0.450
39 HB3 SER 6 HB2 SER 6 8.551 -3.469 -1.003
40 HG SER 6 HG SER 6 8.204 -4.097 1.063
41 H CYS 7 HN CYS 7 10.848 -5.611 -1.155
42 HA CYS 7 HA CYS 7 10.274 -7.130 1.178
43 HB2 CYS 7 HB1 CYS 7 11.405 -7.796 -1.527
44 HB3 CYS 7 HB2 CYS 7 11.331 -9.011 -0.255
45 H LEU 8 HN LEU 8 12.985 -5.389 0.264
46 HA LEU 8 HA LEU 8 15.113 -6.998 1.100
47 HB2 LEU 8 HB1 LEU 8 15.628 -5.039 -0.093
48 HB3 LEU 8 HB2 LEU 8 14.713 -4.024 1.020
49 HG LEU 8 HG LEU 8 17.039 -5.455 2.156
50 HD11 LEU 8 HD11 LEU 8 17.472 -3.012 0.460
51 HD12 LEU 8 HD12 LEU 8 17.756 -4.649 -0.132
52 HD13 LEU 8 HD13 LEU 8 18.681 -4.035 1.238
53 HD21 LEU 8 HD21 LEU 8 16.398 -4.048 3.763
54 HD22 LEU 8 HD22 LEU 8 15.414 -3.094 2.653
55 HD23 LEU 8 HD23 LEU 8 17.144 -2.778 2.793
56 H VAL 9 HN VAL 9 13.074 -4.744 2.923
57 HA VAL 9 HA VAL 9 14.437 -4.990 5.383
58 HB VAL 9 HB VAL 9 12.823 -3.171 4.841
59 HG11 VAL 9 HG11 VAL 9 11.111 -5.285 4.247
60 HG12 VAL 9 HG12 VAL 9 10.456 -4.570 5.722
61 HG13 VAL 9 HG13 VAL 9 10.705 -3.570 4.290
62 HG21 VAL 9 HG21 VAL 9 13.518 -4.056 7.215
63 HG22 VAL 9 HG22 VAL 9 12.286 -2.807 7.043
64 HG23 VAL 9 HG23 VAL 9 11.810 -4.483 7.318
65 H CYS 10 HN CYS 10 12.333 -7.104 3.715
66 HA CYS 10 HA CYS 10 11.193 -8.478 5.913
67 HB2 CYS 10 HB1 CYS 10 10.895 -8.560 3.172
68 HB3 CYS 10 HB2 CYS 10 11.659 -10.107 3.525
69 H ALA 11 HN ALA 11 14.314 -8.542 4.467
70 HA ALA 11 HA ALA 11 15.093 -11.155 5.273
71 HB1 ALA 11 HB1 ALA 11 16.839 -10.676 3.994
72 HB2 ALA 11 HB2 ALA 11 16.234 -9.029 3.810
73 HB3 ALA 11 HB3 ALA 11 17.350 -9.418 5.119
74 H ALA 12 HN ALA 12 14.438 -8.398 7.046
75 HA ALA 12 HA ALA 12 16.445 -8.584 9.057
76 HB1 ALA 12 HB1 ALA 12 14.873 -7.142 10.374
77 HB2 ALA 12 HB2 ALA 12 15.323 -6.503 8.792
78 HB3 ALA 12 HB3 ALA 12 13.744 -7.255 9.023
79 H CYS 13 HN CYS 13 13.891 -10.590 8.291
80 HA CYS 13 HA CYS 13 13.057 -11.337 10.922
81 HB2 CYS 13 HB1 CYS 13 12.529 -12.246 8.155
82 HB3 CYS 13 HB2 CYS 13 12.339 -13.463 9.413
83 H SER 14 HN SER 14 15.237 -11.601 11.820
84 HA SER 14 HA SER 14 16.547 -14.111 11.043
85 HB2 SER 14 HB1 SER 14 18.023 -12.174 11.093
86 HB3 SER 14 HB2 SER 14 17.539 -11.814 12.750
87 HG SER 14 HG SER 14 19.385 -13.587 11.829
88 H VAL 15 HN VAL 15 14.802 -12.561 13.608
89 HA VAL 15 HA VAL 15 15.482 -14.578 15.574
90 HB VAL 15 HB VAL 15 13.370 -12.431 15.780
91 HG11 VAL 15 HG11 VAL 15 13.818 -12.719 18.227
92 HG12 VAL 15 HG12 VAL 15 13.070 -14.114 17.446
93 HG13 VAL 15 HG13 VAL 15 14.794 -14.130 17.820
94 HG21 VAL 15 HG21 VAL 15 16.273 -12.321 16.594
95 HG22 VAL 15 HG22 VAL 15 15.530 -11.416 15.276
96 HG23 VAL 15 HG23 VAL 15 15.059 -11.090 16.944
97 H GLU 16 HN GLU 16 13.136 -14.116 13.132
98 HA GLU 16 HA GLU 16 11.777 -16.557 13.962
99 HB2 GLU 16 HB1 GLU 16 10.414 -13.900 13.572
100 HB3 GLU 16 HB2 GLU 16 9.549 -15.421 13.402
101 HG2 GLU 16 HG1 GLU 16 10.636 -15.860 15.782
102 HG3 GLU 16 HG2 GLU 16 10.610 -14.098 15.827
103 H LEU 17 HN LEU 17 11.237 -17.831 12.282
104 HA LEU 17 HA LEU 17 12.156 -17.145 9.675
105 HB2 LEU 17 HB1 LEU 17 10.771 -19.492 10.891
106 HB3 LEU 17 HB2 LEU 17 10.861 -19.355 9.136
107 HG LEU 17 HG LEU 17 13.440 -19.034 9.665
108 HD11 LEU 17 HD11 LEU 17 14.231 -20.056 11.573
109 HD12 LEU 17 HD12 LEU 17 12.745 -20.971 11.828
110 HD13 LEU 17 HD13 LEU 17 12.786 -19.242 12.174
111 HD21 LEU 17 HD21 LEU 17 12.053 -20.889 8.428
112 HD22 LEU 17 HD22 LEU 17 12.439 -21.833 9.867
113 HD23 LEU 17 HD23 LEU 17 13.736 -21.165 8.875
114 H LEU 18 HN LEU 18 9.247 -16.606 11.323
115 HA LEU 18 HA LEU 18 7.334 -16.803 9.299
116 HB2 LEU 18 HB1 LEU 18 7.580 -15.264 11.827
117 HB3 LEU 18 HB2 LEU 18 6.322 -14.784 10.691
118 HG LEU 18 HG LEU 18 5.490 -16.287 12.449
119 HD11 LEU 18 HD11 LEU 18 5.065 -16.462 9.693
120 HD12 LEU 18 HD12 LEU 18 3.996 -17.016 10.981
121 HD13 LEU 18 HD13 LEU 18 5.164 -18.127 10.265
122 HD21 LEU 18 HD21 LEU 18 6.170 -18.607 12.521
123 HD22 LEU 18 HD22 LEU 18 7.572 -17.566 12.771
124 HD23 LEU 18 HD23 LEU 18 7.317 -18.341 11.207
125 H DSG 19 HN DAS 19 9.234 -13.967 10.320
126 HB2 DSG 19 HB2 DAS 19 8.146 -10.949 7.920
127 HB3 DSG 19 HB1 DAS 19 7.410 -12.477 7.444
128 HD21 DSG 19 HD21 DAS 19 5.710 -13.159 8.542
129 HD22 DSG 19 HD22 DAS 19 5.179 -12.537 10.064
130 H LEU 20 HN LEU 20 10.576 -14.757 8.227
131 HA LEU 20 HA LEU 20 12.200 -13.957 6.111
132 HB2 LEU 20 HB1 LEU 20 12.293 -16.047 7.645
133 HB3 LEU 20 HB2 LEU 20 11.287 -16.792 6.405
134 HG LEU 20 HG LEU 20 13.180 -16.037 4.788
135 HD11 LEU 20 HD11 LEU 20 14.538 -15.927 7.469
136 HD12 LEU 20 HD12 LEU 20 14.475 -14.674 6.231
137 HD13 LEU 20 HD13 LEU 20 15.406 -16.145 5.949
138 HD21 LEU 20 HD21 LEU 20 14.461 -18.143 5.400
139 HD22 LEU 20 HD22 LEU 20 12.739 -18.333 5.066
140 HD23 LEU 20 HD23 LEU 20 13.319 -18.325 6.732
141 H VAL 21 HN VAL 21 8.896 -14.935 6.134
142 HA VAL 21 HA VAL 21 8.607 -15.853 3.497
143 HB VAL 21 HB VAL 21 6.245 -15.413 3.727
144 HG11 VAL 21 HG11 VAL 21 5.855 -16.477 6.005
145 HG12 VAL 21 HG12 VAL 21 6.895 -17.356 4.883
146 HG13 VAL 21 HG13 VAL 21 7.606 -16.430 6.205
147 HG21 VAL 21 HG21 VAL 21 5.788 -14.313 6.184
148 HG22 VAL 21 HG22 VAL 21 7.185 -13.392 5.626
149 HG23 VAL 21 HG23 VAL 21 5.714 -13.439 4.653
150 H DTH 22 HN DTH 22 8.986 -12.667 4.795
151 HB DTH 22 HB DTH 22 7.239 -11.644 1.691
152 HG21 DTH 22 HG21 DTH 22 5.789 -10.130 3.526
153 HG22 DTH 22 HG22 DTH 22 5.711 -11.881 3.332
154 HG23 DTH 22 HG23 DTH 22 6.792 -11.174 4.532
155 HG1 DTH 22 HG1 DTH 22 7.839 -9.653 1.102
156 H ALA 23 HN ALA 23 10.929 -12.772 3.063
157 HA ALA 23 HA ALA 23 12.524 -11.459 1.235
158 HB1 ALA 23 HB1 ALA 23 13.457 -13.186 2.581
159 HB2 ALA 23 HB2 ALA 23 12.370 -14.393 1.893
160 HB3 ALA 23 HB3 ALA 23 13.638 -13.679 0.897
161 H ALA 24 HN ALA 24 9.828 -13.594 0.664
162 HA ALA 24 HA ALA 24 10.266 -14.357 -1.966
163 HB1 ALA 24 HB1 ALA 24 7.510 -13.607 -1.118
164 HB2 ALA 24 HB2 ALA 24 8.071 -15.018 -2.016
165 HB3 ALA 24 HB3 ALA 24 8.339 -14.916 -0.276
166 H DTH 25 HN DTH 25 9.375 -11.264 -0.674
167 HB DTH 25 HB DTH 25 8.010 -10.734 -4.056
168 HG21 DTH 25 HG21 DTH 25 6.440 -11.485 -2.585
169 HG22 DTH 25 HG22 DTH 25 6.850 -10.269 -1.376
170 HG23 DTH 25 HG23 DTH 25 5.805 -9.847 -2.732
171 HG1 DTH 25 HG1 DTH 25 7.206 -8.186 -3.122
172 H GLY 26 HN GLY 26 11.561 -10.638 -1.965
173 HA2 GLY 26 HA1 GLY 26 12.883 -8.806 -3.621
174 HA3 GLY 26 HA2 GLY 26 13.566 -10.314 -3.030
175 H ALA 27 HN ALA 27 11.155 -11.642 -4.444
176 HA ALA 27 HA ALA 27 12.486 -12.582 -6.683
177 HB1 ALA 27 HB1 ALA 27 10.595 -13.755 -5.763
178 HB2 ALA 27 HB2 ALA 27 9.517 -12.423 -6.183
179 HB3 ALA 27 HB3 ALA 27 10.275 -13.379 -7.456
180 H DSN 28 HN DSN 28 10.634 -9.672 -6.270
181 HB2 DSN 28 HB2 DSN 28 9.468 -8.329 -9.889
182 HB3 DSN 28 HB1 DSN 28 10.293 -9.887 -9.917
183 HG DSN 28 HG DSN 28 7.945 -9.890 -9.490
184 H THR 29 HN THR 29 12.862 -8.381 -6.931
185 HA THR 29 HA THR 29 14.198 -6.847 -8.961
186 HB THR 29 HB THR 29 16.066 -6.731 -7.447
187 HG1 THR 29 HG1 THR 29 16.454 -8.412 -6.235
188 HG21 THR 29 HG21 THR 29 13.815 -5.528 -6.946
189 HG22 THR 29 HG22 THR 29 15.079 -5.540 -5.716
190 HG23 THR 29 HG23 THR 29 13.716 -6.653 -5.592
191 H ALA 30 HN ALA 30 14.033 -10.180 -8.040
192 HA ALA 30 HA ALA 30 16.459 -10.958 -9.384
193 HB1 ALA 30 HB1 ALA 30 14.225 -12.774 -8.511
194 HB2 ALA 30 HB2 ALA 30 15.924 -13.178 -8.760
195 HB3 ALA 30 HB3 ALA 30 15.451 -12.153 -7.405
196 H SER 31 HN SER 31 13.107 -10.599 -10.206
197 HA SER 31 HA SER 31 13.339 -12.150 -12.646
198 HB2 SER 31 HB1 SER 31 11.231 -12.132 -11.319
199 HB3 SER 31 HB2 SER 31 11.045 -10.419 -11.692
200 HG SER 31 HG SER 31 9.864 -11.755 -13.132
Start of MODEL 20
1 H1 ASP 1 HN ASP 1 4.908 3.254 -1.994
2 HA ASP 1 HA ASP 1 2.233 2.066 -1.984
3 HB2 ASP 1 HB1 ASP 1 2.149 1.799 -4.354
4 HB3 ASP 1 HB2 ASP 1 2.529 3.491 -4.050
5 H TRP 2 HN TRP 2 2.226 -0.186 -2.710
6 HA TRP 2 HA TRP 2 4.250 -1.694 -1.491
7 HB2 TRP 2 HB1 TRP 2 3.158 -3.649 -2.533
8 HB3 TRP 2 HB2 TRP 2 1.990 -2.561 -1.787
9 HD1 TRP 2 HD1 TRP 2 3.316 -3.524 -5.286
10 HE1 TRP 2 HE1 TRP 2 1.465 -3.031 -7.006
11 HE3 TRP 2 HE3 TRP 2 -0.094 -1.299 -2.195
12 HZ2 TRP 2 HZ2 TRP 2 -1.100 -1.854 -7.047
13 HZ3 TRP 2 HZ3 TRP 2 -2.221 -0.517 -3.153
14 HH2 TRP 2 HH2 TRP 2 -2.712 -0.790 -5.529
15 H THR 3 HN THR 3 5.754 -3.189 -2.438
16 HA THR 3 HA THR 3 6.401 -3.192 -5.192
17 HB THR 3 HB THR 3 7.219 -0.954 -4.854
18 HG1 THR 3 HG1 THR 3 8.552 -2.289 -6.140
19 HG21 THR 3 HG21 THR 3 7.737 -0.434 -2.724
20 HG22 THR 3 HG22 THR 3 9.348 -1.012 -3.152
21 HG23 THR 3 HG23 THR 3 8.214 -2.087 -2.335
22 H CYS 4 HN CYS 4 8.351 -4.436 -5.660
23 HA CYS 4 HA CYS 4 8.605 -6.681 -3.971
24 HB2 CYS 4 HB1 CYS 4 9.897 -5.734 -6.475
25 HB3 CYS 4 HB2 CYS 4 10.754 -6.961 -5.548
26 H TRP 5 HN TRP 5 10.229 -3.649 -4.059
27 HA TRP 5 HA TRP 5 12.625 -4.470 -2.741
28 HB2 TRP 5 HB1 TRP 5 11.357 -1.869 -3.456
29 HB3 TRP 5 HB2 TRP 5 12.594 -1.862 -2.203
30 HD1 TRP 5 HD1 TRP 5 15.082 -2.062 -2.963
31 HE1 TRP 5 HE1 TRP 5 16.247 -2.192 -5.254
32 HE3 TRP 5 HE3 TRP 5 10.983 -2.856 -5.913
33 HZ2 TRP 5 HZ2 TRP 5 15.524 -2.579 -7.955
34 HZ3 TRP 5 HZ3 TRP 5 11.306 -3.095 -8.341
35 HH2 TRP 5 HH2 TRP 5 13.530 -2.958 -9.339
36 H SER 6 HN SER 6 9.448 -3.502 -1.702
37 HA SER 6 HA SER 6 10.014 -2.781 0.948
38 HB2 SER 6 HB1 SER 6 7.689 -2.970 1.356
39 HB3 SER 6 HB2 SER 6 7.817 -2.505 -0.340
40 HG SER 6 HG SER 6 6.356 -4.215 -0.101
41 H CYS 7 HN CYS 7 10.012 -5.838 -0.611
42 HA CYS 7 HA CYS 7 9.507 -7.477 1.654
43 HB2 CYS 7 HB1 CYS 7 10.565 -7.895 -1.099
44 HB3 CYS 7 HB2 CYS 7 10.895 -9.142 0.099
45 H LEU 8 HN LEU 8 12.112 -5.522 0.845
46 HA LEU 8 HA LEU 8 14.321 -7.010 1.707
47 HB2 LEU 8 HB1 LEU 8 15.505 -4.997 1.762
48 HB3 LEU 8 HB2 LEU 8 14.281 -4.768 0.515
49 HG LEU 8 HG LEU 8 12.966 -3.686 2.564
50 HD11 LEU 8 HD11 LEU 8 15.731 -3.914 3.468
51 HD12 LEU 8 HD12 LEU 8 14.259 -3.585 4.382
52 HD13 LEU 8 HD13 LEU 8 15.091 -2.273 3.548
53 HD21 LEU 8 HD21 LEU 8 13.154 -1.877 1.286
54 HD22 LEU 8 HD22 LEU 8 14.305 -2.779 0.300
55 HD23 LEU 8 HD23 LEU 8 14.884 -1.748 1.610
56 H VAL 9 HN VAL 9 11.936 -5.146 3.488
57 HA VAL 9 HA VAL 9 13.261 -5.121 5.982
58 HB VAL 9 HB VAL 9 11.328 -3.663 5.410
59 HG11 VAL 9 HG11 VAL 9 9.283 -4.435 4.918
60 HG12 VAL 9 HG12 VAL 9 10.098 -5.973 4.630
61 HG13 VAL 9 HG13 VAL 9 9.334 -5.657 6.188
62 HG21 VAL 9 HG21 VAL 9 10.838 -5.327 7.875
63 HG22 VAL 9 HG22 VAL 9 12.083 -4.084 7.750
64 HG23 VAL 9 HG23 VAL 9 10.381 -3.644 7.612
65 H CYS 10 HN CYS 10 11.577 -7.586 4.278
66 HA CYS 10 HA CYS 10 10.761 -9.179 6.472
67 HB2 CYS 10 HB1 CYS 10 10.449 -9.278 3.722
68 HB3 CYS 10 HB2 CYS 10 11.456 -10.680 4.066
69 H ALA 11 HN ALA 11 13.805 -8.651 4.952
70 HA ALA 11 HA ALA 11 15.071 -11.083 5.701
71 HB1 ALA 11 HB1 ALA 11 15.756 -9.135 4.017
72 HB2 ALA 11 HB2 ALA 11 16.701 -8.627 5.418
73 HB3 ALA 11 HB3 ALA 11 16.938 -10.234 4.730
74 H ALA 12 HN ALA 12 13.973 -8.503 7.528
75 HA ALA 12 HA ALA 12 16.029 -8.358 9.495
76 HB1 ALA 12 HB1 ALA 12 14.682 -6.859 10.604
77 HB2 ALA 12 HB2 ALA 12 14.090 -6.697 8.950
78 HB3 ALA 12 HB3 ALA 12 13.193 -7.670 10.116
79 H CYS 13 HN CYS 13 13.856 -10.771 8.750
80 HA CYS 13 HA CYS 13 13.202 -11.673 11.383
81 HB2 CYS 13 HB1 CYS 13 12.758 -12.585 8.620
82 HB3 CYS 13 HB2 CYS 13 12.910 -13.884 9.799
83 H SER 14 HN SER 14 15.335 -11.618 12.337
84 HA SER 14 HA SER 14 17.116 -13.791 11.481
85 HB2 SER 14 HB1 SER 14 18.815 -12.677 12.912
86 HB3 SER 14 HB2 SER 14 18.197 -11.616 11.646
87 HG SER 14 HG SER 14 17.583 -10.310 13.157
88 H VAL 15 HN VAL 15 15.208 -12.611 14.166
89 HA VAL 15 HA VAL 15 16.169 -14.642 15.988
90 HB VAL 15 HB VAL 15 13.815 -12.781 16.331
91 HG11 VAL 15 HG11 VAL 15 15.132 -14.796 18.026
92 HG12 VAL 15 HG12 VAL 15 14.775 -13.255 18.809
93 HG13 VAL 15 HG13 VAL 15 13.477 -14.187 18.061
94 HG21 VAL 15 HG21 VAL 15 16.743 -12.398 16.783
95 HG22 VAL 15 HG22 VAL 15 15.560 -11.288 16.090
96 HG23 VAL 15 HG23 VAL 15 15.579 -11.584 17.829
97 H GLU 16 HN GLU 16 13.739 -14.363 13.603
98 HA GLU 16 HA GLU 16 12.682 -16.979 14.374
99 HB2 GLU 16 HB1 GLU 16 11.034 -14.500 13.906
100 HB3 GLU 16 HB2 GLU 16 10.360 -16.116 13.751
101 HG2 GLU 16 HG1 GLU 16 11.200 -16.512 16.123
102 HG3 GLU 16 HG2 GLU 16 11.422 -14.765 16.205
103 H LEU 17 HN LEU 17 12.940 -18.272 12.690
104 HA LEU 17 HA LEU 17 13.593 -17.409 10.102
105 HB2 LEU 17 HB1 LEU 17 13.599 -19.801 11.452
106 HB3 LEU 17 HB2 LEU 17 12.349 -20.047 10.234
107 HG LEU 17 HG LEU 17 14.545 -20.873 9.510
108 HD11 LEU 17 HD11 LEU 17 14.248 -20.231 7.354
109 HD12 LEU 17 HD12 LEU 17 14.093 -18.523 7.764
110 HD13 LEU 17 HD13 LEU 17 12.735 -19.617 8.022
111 HD21 LEU 17 HD21 LEU 17 15.541 -18.079 9.241
112 HD22 LEU 17 HD22 LEU 17 16.439 -19.592 9.370
113 HD23 LEU 17 HD23 LEU 17 15.686 -18.887 10.802
114 H LEU 18 HN LEU 18 10.571 -17.698 11.670
115 HA LEU 18 HA LEU 18 8.855 -18.261 9.539
116 HB2 LEU 18 HB1 LEU 18 8.532 -16.724 12.090
117 HB3 LEU 18 HB2 LEU 18 7.214 -16.822 10.924
118 HG LEU 18 HG LEU 18 7.742 -19.432 11.183
119 HD11 LEU 18 HD11 LEU 18 8.654 -18.150 13.743
120 HD12 LEU 18 HD12 LEU 18 9.502 -19.330 12.744
121 HD13 LEU 18 HD13 LEU 18 8.078 -19.815 13.663
122 HD21 LEU 18 HD21 LEU 18 6.072 -17.799 13.093
123 HD22 LEU 18 HD22 LEU 18 5.890 -19.524 12.772
124 HD23 LEU 18 HD23 LEU 18 5.574 -18.351 11.493
125 H DSG 19 HN DAS 19 10.103 -15.154 10.714
126 HB2 DSG 19 HB2 DAS 19 8.305 -12.255 8.652
127 HB3 DSG 19 HB1 DAS 19 7.889 -13.834 7.992
128 HD21 DSG 19 HD21 DAS 19 5.916 -14.172 8.786
129 HD22 DSG 19 HD22 DAS 19 5.513 -14.187 10.466
130 H LEU 20 HN LEU 20 11.482 -15.505 8.528
131 HA LEU 20 HA LEU 20 12.763 -14.261 6.388
132 HB2 LEU 20 HB1 LEU 20 13.194 -16.505 7.825
133 HB3 LEU 20 HB2 LEU 20 12.623 -17.205 6.311
134 HG LEU 20 HG LEU 20 15.056 -17.114 6.386
135 HD11 LEU 20 HD11 LEU 20 13.590 -16.601 4.278
136 HD12 LEU 20 HD12 LEU 20 15.343 -16.418 4.220
137 HD13 LEU 20 HD13 LEU 20 14.314 -15.000 4.422
138 HD21 LEU 20 HD21 LEU 20 16.282 -15.091 6.546
139 HD22 LEU 20 HD22 LEU 20 15.132 -15.091 7.883
140 HD23 LEU 20 HD23 LEU 20 14.817 -14.114 6.448
141 H VAL 21 HN VAL 21 9.756 -15.925 6.520
142 HA VAL 21 HA VAL 21 9.512 -16.794 3.863
143 HB VAL 21 HB VAL 21 7.968 -17.397 5.746
144 HG11 VAL 21 HG11 VAL 21 6.267 -15.054 5.193
145 HG12 VAL 21 HG12 VAL 21 6.530 -15.940 6.697
146 HG13 VAL 21 HG13 VAL 21 7.712 -14.748 6.155
147 HG21 VAL 21 HG21 VAL 21 6.281 -16.338 3.533
148 HG22 VAL 21 HG22 VAL 21 7.530 -17.524 3.153
149 HG23 VAL 21 HG23 VAL 21 6.259 -17.921 4.310
150 H DTH 22 HN DTH 22 9.317 -13.642 5.272
151 HB DTH 22 HB DTH 22 7.210 -12.905 2.316
152 HG21 DTH 22 HG21 DTH 22 5.810 -13.453 3.988
153 HG22 DTH 22 HG22 DTH 22 6.861 -12.688 5.180
154 HG23 DTH 22 HG23 DTH 22 5.643 -11.733 4.335
155 HG1 DTH 22 HG1 DTH 22 7.229 -10.847 1.750
156 H ALA 23 HN ALA 23 11.042 -13.458 3.335
157 HA ALA 23 HA ALA 23 12.304 -11.753 1.551
158 HB1 ALA 23 HB1 ALA 23 13.772 -13.662 1.016
159 HB2 ALA 23 HB2 ALA 23 13.514 -13.467 2.751
160 HB3 ALA 23 HB3 ALA 23 12.657 -14.731 1.869
161 H ALA 24 HN ALA 24 9.853 -14.134 0.975
162 HA ALA 24 HA ALA 24 10.213 -14.732 -1.704
163 HB1 ALA 24 HB1 ALA 24 8.441 -15.557 0.018
164 HB2 ALA 24 HB2 ALA 24 7.461 -14.251 -0.651
165 HB3 ALA 24 HB3 ALA 24 8.053 -15.537 -1.703
166 H DTH 25 HN DTH 25 9.112 -11.788 -0.225
167 HB DTH 25 HB DTH 25 7.565 -11.237 -3.516
168 HG21 DTH 25 HG21 DTH 25 6.496 -10.988 -0.777
169 HG22 DTH 25 HG22 DTH 25 5.359 -10.562 -2.056
170 HG23 DTH 25 HG23 DTH 25 6.106 -12.159 -2.037
171 HG1 DTH 25 HG1 DTH 25 6.144 -9.270 -3.423
172 H GLY 26 HN GLY 26 11.193 -10.795 -1.494
173 HA2 GLY 26 HA1 GLY 26 12.232 -8.823 -3.193
174 HA3 GLY 26 HA2 GLY 26 13.117 -10.223 -2.605
175 H ALA 27 HN ALA 27 10.946 -11.929 -3.928
176 HA ALA 27 HA ALA 27 12.345 -12.592 -6.245
177 HB1 ALA 27 HB1 ALA 27 10.719 -14.053 -5.054
178 HB2 ALA 27 HB2 ALA 27 9.415 -13.096 -5.757
179 HB3 ALA 27 HB3 ALA 27 10.499 -14.012 -6.804
180 H DSN 28 HN DSN 28 9.987 -10.128 -5.681
181 HB2 DSN 28 HB2 DSN 28 9.194 -10.636 -9.123
182 HB3 DSN 28 HB1 DSN 28 7.863 -10.329 -8.008
183 HG DSN 28 HG DSN 28 8.738 -8.814 -10.199
184 H THR 29 HN THR 29 11.773 -8.228 -6.620
185 HA THR 29 HA THR 29 12.588 -6.799 -8.982
186 HB THR 29 HB THR 29 13.054 -5.776 -6.852
187 HG1 THR 29 HG1 THR 29 14.642 -5.250 -8.280
188 HG21 THR 29 HG21 THR 29 13.262 -7.421 -5.250
189 HG22 THR 29 HG22 THR 29 14.950 -6.960 -5.471
190 HG23 THR 29 HG23 THR 29 14.323 -8.411 -6.251
191 H ALA 30 HN ALA 30 13.222 -9.888 -7.584
192 HA ALA 30 HA ALA 30 15.693 -10.314 -9.024
193 HB1 ALA 30 HB1 ALA 30 14.417 -12.702 -7.967
194 HB2 ALA 30 HB2 ALA 30 16.003 -12.014 -7.615
195 HB3 ALA 30 HB3 ALA 30 14.576 -11.424 -6.762
196 H SER 31 HN SER 31 12.403 -10.491 -9.741
197 HA SER 31 HA SER 31 12.975 -11.803 -12.270
198 HB2 SER 31 HB1 SER 31 10.782 -12.844 -10.462
199 HB3 SER 31 HB2 SER 31 11.202 -13.451 -12.064
200 HG SER 31 HG SER 31 12.990 -14.364 -11.271
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