Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655102 | 7l51 RC | 30827 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 -6.082 -7.374 4.590
2 HA2 GLY 1 HA2 GLY 1 -7.267 -5.654 3.504
3 HA3 GLY 1 HA1 GLY 1 -7.910 -5.143 5.066
4 H PHE 2 HN PHE 2 -7.047 -3.058 3.952
5 HA PHE 2 HA PHE 2 -4.464 -2.566 5.171
6 HB2 PHE 2 HB2 PHE 2 -3.918 -3.289 2.878
7 HB3 PHE 2 HB1 PHE 2 -4.962 -2.034 2.236
8 HD1 PHE 2 HD1 PHE 2 -3.852 -0.239 1.360
9 HD2 PHE 2 HD2 PHE 2 -2.151 -2.250 4.695
10 HE1 PHE 2 HE1 PHE 2 -1.939 1.302 1.310
11 HE2 PHE 2 HE2 PHE 2 -0.234 -0.696 4.652
12 HZ PHE 2 HZ PHE 2 -0.130 1.071 2.956
13 H CYS 3 HN CYS 3 -4.482 -0.713 6.152
14 HA CYS 3 HA CYS 3 -6.387 1.336 5.333
15 HB2 CYS 3 HB2 CYS 3 -5.394 0.649 8.107
16 HB3 CYS 3 HB1 CYS 3 -6.367 2.056 7.706
17 H TRP 4 HN TRP 4 -5.471 3.089 4.691
18 HA TRP 4 HA TRP 4 -2.903 3.877 5.767
19 HB2 TRP 4 HB2 TRP 4 -2.509 2.491 3.738
20 HB3 TRP 4 HB1 TRP 4 -3.482 3.603 2.803
21 HD1 TRP 4 HD1 TRP 4 -2.124 5.482 1.639
22 HE1 TRP 4 HE1 TRP 4 0.276 6.433 1.872
23 HE3 TRP 4 3HE TRP 4 -0.605 2.849 5.744
24 HZ2 TRP 4 HZ2 TRP 4 2.495 6.110 3.599
25 HZ3 TRP 4 HZ3 TRP 4 1.658 3.227 6.625
26 HH2 TRP 4 2HH TRP 4 3.176 4.822 5.571
27 H HIS 5 HN HIS 5 -3.208 5.854 6.421
28 HA HIS 5 HA HIS 5 -3.906 7.971 6.697
29 HB2 HIS 5 HB2 HIS 5 -4.492 7.835 3.718
30 HB3 HIS 5 HB1 HIS 5 -4.588 9.312 4.668
31 HD1 HIS 5 HD1 HIS 5 -2.464 8.264 2.261
32 HD2 HIS 5 HD2 HIS 5 -1.778 9.110 6.273
33 HE1 HIS 5 HE1 HIS 5 -0.019 8.810 2.451
34 H HIS 6 HN HIS 6 -5.596 5.813 7.167
35 HA HIS 6 HA HIS 6 -7.566 5.426 8.120
36 HB2 HIS 6 HB2 HIS 6 -8.294 8.261 7.367
37 HB3 HIS 6 HB1 HIS 6 -9.416 7.177 8.177
38 HD1 HIS 6 HD1 HIS 6 -9.284 7.157 10.700
39 HD2 HIS 6 HD2 HIS 6 -5.901 8.780 8.923
40 HE1 HIS 6 HE1 HIS 6 -7.873 8.064 12.581
41 H SER 7 HN SER 7 -7.116 5.765 4.938
42 HA SER 7 HA SER 7 -9.778 4.944 4.195
43 HB2 SER 7 HB2 SER 7 -7.210 5.207 2.614
44 HB3 SER 7 HB1 SER 7 -8.803 4.883 1.924
45 HG SER 7 HG SER 7 -9.420 6.870 2.316
46 H CYS 8 HN CYS 8 -10.350 2.854 4.225
47 HA CYS 8 HA CYS 8 -8.217 0.851 4.439
48 HB2 CYS 8 HB2 CYS 8 -10.935 0.866 5.735
49 HB3 CYS 8 HB1 CYS 8 -9.780 -0.456 5.811
50 H VAL 9 HN VAL 9 -8.224 -0.710 3.045
51 HA VAL 9 HA VAL 9 -10.665 -1.294 1.545
52 HB VAL 9 HB VAL 9 -9.085 -2.598 -0.029
53 HG11 VAL 9 HG11 VAL 9 -10.107 -0.592 -0.779
54 HG12 VAL 9 HG12 VAL 9 -8.405 -0.507 -1.248
55 HG13 VAL 9 3HG1 VAL 9 -8.999 0.391 0.156
56 HG21 VAL 9 HG21 VAL 9 -7.023 -0.884 1.369
57 HG22 VAL 9 HG22 VAL 9 -6.745 -1.816 -0.101
58 HG23 VAL 9 HG23 VAL 9 -7.116 -2.645 1.412
59 HA PRO 10 HA PRO 10 -11.130 -4.957 3.838
60 HB2 PRO 10 HB2 PRO 10 -12.425 -6.549 2.083
61 HB3 PRO 10 HB1 PRO 10 -13.176 -5.131 2.828
62 HG2 PRO 10 HG2 PRO 10 -11.891 -5.374 0.130
63 HG3 PRO 10 HG1 PRO 10 -13.458 -4.657 0.550
64 HD2 PRO 10 HD2 PRO 10 -11.297 -3.130 0.168
65 HD3 PRO 10 HD1 PRO 10 -12.490 -2.741 1.426
66 H SER 11 HN SER 11 -10.694 -7.263 3.927
67 HA SER 11 HA SER 11 -8.141 -7.982 3.054
68 HB2 SER 11 HB2 SER 11 -8.887 -10.261 3.867
69 HB3 SER 11 HB1 SER 11 -9.052 -8.953 5.037
70 HG SER 11 HG SER 11 -11.152 -9.716 3.325
71 H GLY 12 HN GLY 12 -7.484 -8.914 1.209
72 HA2 GLY 12 HA2 GLY 12 -7.956 -10.519 -0.581
73 HA3 GLY 12 HA1 GLY 12 -9.584 -9.851 -0.631
74 H THR 13 HN THR 13 -8.033 -7.203 -0.109
75 HA THR 13 HA THR 13 -7.883 -6.473 -2.866
76 HB THR 13 HB THR 13 -6.954 -4.886 -0.452
77 HG1 THR 13 HG1 THR 13 -9.038 -5.168 0.016
78 HG21 THR 13 HG21 THR 13 -7.456 -2.949 -1.897
79 HG22 THR 13 HG22 THR 13 -7.922 -4.045 -3.198
80 HG23 THR 13 HG23 THR 13 -6.250 -3.999 -2.642
81 H CYS 14 HN CYS 14 -6.149 -6.803 -4.105
82 HA CYS 14 HA CYS 14 -3.539 -7.121 -2.829
83 HB2 CYS 14 HB2 CYS 14 -4.374 -8.085 -5.570
84 HB3 CYS 14 HB1 CYS 14 -2.918 -8.509 -4.691
85 H ALA 15 HN ALA 15 -1.941 -5.695 -3.465
86 HA ALA 15 HA ALA 15 -2.645 -3.899 -5.664
87 HB1 ALA 15 HB1 ALA 15 -1.380 -3.095 -3.046
88 HB2 ALA 15 HB2 ALA 15 -3.042 -2.764 -3.531
89 HB3 ALA 15 HB3 ALA 15 -1.702 -2.027 -4.413
90 H ASP 16 HN ASP 16 -0.978 -3.223 -6.924
91 HA ASP 16 HA ASP 16 1.438 -4.827 -6.767
92 HB2 ASP 16 HB2 ASP 16 0.137 -4.616 -8.913
93 HB3 ASP 16 HB1 ASP 16 0.550 -2.906 -8.932
94 H PHE 17 HN PHE 17 2.937 -3.984 -5.520
95 HA PHE 17 HA PHE 17 3.289 -1.096 -5.345
96 HB2 PHE 17 HB2 PHE 17 4.346 -3.430 -3.757
97 HB3 PHE 17 HB1 PHE 17 4.946 -1.797 -3.543
98 HD1 PHE 17 HD1 PHE 17 3.847 -0.299 -2.174
99 HD2 PHE 17 HD2 PHE 17 1.931 -3.924 -3.269
100 HE1 PHE 17 HE1 PHE 17 2.110 0.121 -0.495
101 HE2 PHE 17 HE2 PHE 17 0.183 -3.507 -1.594
102 HZ PHE 17 HZ PHE 17 0.283 -1.458 -0.204
103 HA PRO 18 HA PRO 18 7.081 -1.320 -7.738
104 HB2 PRO 18 HB2 PRO 18 8.524 0.330 -5.789
105 HB3 PRO 18 HB1 PRO 18 8.059 0.729 -7.442
106 HG2 PRO 18 HG2 PRO 18 6.913 1.885 -5.283
107 HG3 PRO 18 HG1 PRO 18 6.043 1.619 -6.798
108 HD2 PRO 18 HD2 PRO 18 5.928 0.081 -4.249
109 HD3 PRO 18 HD1 PRO 18 4.624 0.499 -5.381
110 H TRP 19 HN TRP 19 9.448 -1.829 -7.449
111 HA TRP 19 HA TRP 19 9.773 -4.141 -5.833
112 HB2 TRP 19 HB2 TRP 19 10.856 -3.693 -8.091
113 HB3 TRP 19 HB1 TRP 19 11.894 -2.524 -7.286
114 HD1 TRP 19 HD1 TRP 19 11.263 -6.298 -7.549
115 HE1 TRP 19 HE1 TRP 19 13.355 -7.537 -6.715
116 HE3 TRP 19 3HE TRP 19 13.943 -2.305 -5.837
117 HZ2 TRP 19 HZ2 TRP 19 15.818 -6.904 -5.508
118 HZ3 TRP 19 HZ3 TRP 19 16.166 -2.704 -4.865
119 HH2 TRP 19 2HH TRP 19 17.083 -4.958 -4.703
120 HA PRO 20 HA PRO 20 11.380 -5.218 -4.773
121 HB2 PRO 20 HB2 PRO 20 12.019 -5.933 -2.146
122 HB3 PRO 20 HB1 PRO 20 13.159 -5.616 -3.453
123 HG2 PRO 20 HG2 PRO 20 12.829 -4.079 -1.112
124 HG3 PRO 20 HG1 PRO 20 13.754 -3.632 -2.553
125 HD2 PRO 20 HD2 PRO 20 10.990 -2.842 -1.753
126 HD3 PRO 20 HD1 PRO 20 12.223 -1.911 -2.628
127 H LEU 21 HN LEU 21 8.988 -3.655 -3.387
128 HA LEU 21 HA LEU 21 7.778 -5.619 -1.718
129 HB2 LEU 21 HB2 LEU 21 6.757 -3.131 -3.044
130 HB3 LEU 21 HB1 LEU 21 5.703 -4.186 -2.126
131 HG LEU 21 HG LEU 21 8.164 -2.917 -0.924
132 HD11 LEU 21 HD11 LEU 21 5.294 -1.985 -0.830
133 HD12 LEU 21 HD12 LEU 21 6.600 -1.170 -1.697
134 HD13 LEU 21 HD13 LEU 21 6.650 -1.297 0.063
135 HD21 LEU 21 HD21 LEU 21 5.677 -4.125 0.222
136 HD22 LEU 21 HD22 LEU 21 7.038 -3.466 1.136
137 HD23 LEU 21 HD23 LEU 21 7.245 -4.917 0.155
138 H GLY 22 HN GLY 22 6.808 -4.410 -4.906
139 HA2 GLY 22 HA2 GLY 22 5.953 -5.569 -6.693
140 HA3 GLY 22 HA1 GLY 22 6.295 -7.072 -5.842
141 H HIS 23 HN HIS 23 4.252 -7.826 -6.542
142 HA HIS 23 HA HIS 23 1.874 -6.521 -5.694
143 HB2 HIS 23 HB2 HIS 23 0.655 -8.521 -6.474
144 HB3 HIS 23 HB1 HIS 23 1.798 -7.948 -7.675
145 HD1 HIS 23 HD1 HIS 23 0.528 -11.015 -6.578
146 HD2 HIS 23 HD2 HIS 23 4.392 -9.604 -7.171
147 HE1 HIS 23 HE1 HIS 23 1.977 -13.039 -6.867
148 H GLN 24 HN GLN 24 1.198 -6.345 -3.766
149 HA GLN 24 HA GLN 24 1.693 -8.512 -1.853
150 HB2 GLN 24 HB2 GLN 24 1.607 -5.519 -1.366
151 HB3 GLN 24 HB1 GLN 24 1.694 -6.730 -0.095
152 HG2 GLN 24 HG2 GLN 24 3.776 -6.364 -2.248
153 HG3 GLN 24 HG1 GLN 24 3.880 -5.681 -0.626
154 HE21 GLN 24 1HE2 GLN 24 5.593 -7.676 -2.033
155 HE22 GLN 24 2HE2 GLN 24 5.609 -9.039 -0.985
156 H CYS 25 HN CYS 25 -0.120 -9.358 -0.991
157 HA CYS 25 HA CYS 25 -2.552 -7.823 -1.443
158 HB2 CYS 25 HB2 CYS 25 -2.266 -10.027 -2.730
159 HB3 CYS 25 HB1 CYS 25 -2.447 -10.825 -1.172
160 H PHE 26 HN PHE 26 -4.081 -7.786 0.194
161 HA PHE 26 HA PHE 26 -2.748 -8.092 2.780
162 HB2 PHE 26 HB2 PHE 26 -4.961 -6.222 1.974
163 HB3 PHE 26 HB1 PHE 26 -4.144 -6.243 3.531
164 HD1 PHE 26 HD1 PHE 26 -1.641 -5.806 3.557
165 HD2 PHE 26 HD2 PHE 26 -4.113 -4.980 0.196
166 HE1 PHE 26 HE1 PHE 26 0.071 -4.291 2.675
167 HE2 PHE 26 HE2 PHE 26 -2.405 -3.459 -0.693
168 HZ PHE 26 HZ PHE 26 -0.299 -3.125 0.558
169 HA PRO 27 HA PRO 27 -6.035 -11.154 3.427
170 HB2 PRO 27 HB2 PRO 27 -4.881 -12.384 5.541
171 HB3 PRO 27 HB1 PRO 27 -4.365 -12.689 3.880
172 HG2 PRO 27 HG2 PRO 27 -3.114 -10.953 5.966
173 HG3 PRO 27 HG1 PRO 27 -2.335 -12.023 4.788
174 HD2 PRO 27 HD2 PRO 27 -2.531 -9.311 4.499
175 HD3 PRO 27 HD1 PRO 27 -2.400 -10.434 3.134
176 H ASP 28 HN ASP 28 -4.846 -8.710 5.433
177 HA ASP 28 HA ASP 28 -7.089 -8.976 7.340
178 HB2 ASP 28 HB2 ASP 28 -4.854 -8.855 8.359
179 HB3 ASP 28 HB1 ASP 28 -4.523 -7.369 7.493
180 H1 GLY 1 HN GLY 1 7.097 7.507 3.113
181 HA2 GLY 1 HA2 GLY 1 8.128 5.737 2.034
182 HA3 GLY 1 HA1 GLY 1 9.057 5.419 3.501
183 H PHE 2 HN PHE 2 8.256 3.196 2.657
184 HA PHE 2 HA PHE 2 6.211 2.385 4.494
185 HB2 PHE 2 HB2 PHE 2 4.865 3.071 2.511
186 HB3 PHE 2 HB1 PHE 2 5.802 1.973 1.512
187 HD1 PHE 2 HD1 PHE 2 5.100 -0.231 1.233
188 HD2 PHE 2 HD2 PHE 2 3.536 2.069 4.452
189 HE1 PHE 2 HE1 PHE 2 3.498 -2.025 1.731
190 HE2 PHE 2 HE2 PHE 2 1.932 0.278 4.956
191 HZ PHE 2 HZ PHE 2 1.910 -1.773 3.593
192 H CYS 3 HN CYS 3 6.452 0.170 4.948
193 HA CYS 3 HA CYS 3 8.262 -1.312 3.265
194 HB2 CYS 3 HB2 CYS 3 9.607 -0.105 5.050
195 HB3 CYS 3 HB1 CYS 3 8.745 -1.082 6.235
196 H TRP 4 HN TRP 4 7.816 -3.454 3.250
197 HA TRP 4 HA TRP 4 6.002 -4.625 5.187
198 HB2 TRP 4 HB2 TRP 4 4.634 -3.397 3.414
199 HB3 TRP 4 HB1 TRP 4 5.343 -4.473 2.231
200 HD1 TRP 4 HD1 TRP 4 4.492 -7.040 2.275
201 HE1 TRP 4 HE1 TRP 4 2.277 -8.045 3.123
202 HE3 TRP 4 3HE TRP 4 2.914 -3.169 5.190
203 HZ2 TRP 4 HZ2 TRP 4 0.145 -7.291 4.803
204 HZ3 TRP 4 HZ3 TRP 4 0.775 -3.378 6.377
205 HH2 TRP 4 2HH TRP 4 -0.580 -5.394 6.187
206 H HIS 5 HN HIS 5 6.614 -6.773 5.377
207 HA HIS 5 HA HIS 5 7.813 -8.660 5.152
208 HB2 HIS 5 HB2 HIS 5 7.191 -8.160 2.231
209 HB3 HIS 5 HB1 HIS 5 8.095 -9.578 2.752
210 HD1 HIS 5 HD1 HIS 5 4.917 -9.163 1.599
211 HD2 HIS 5 HD2 HIS 5 6.346 -10.490 5.262
212 HE1 HIS 5 HE1 HIS 5 3.087 -10.560 2.601
213 H HIS 6 HN HIS 6 9.161 -6.242 5.372
214 HA HIS 6 HA HIS 6 11.222 -5.468 5.659
215 HB2 HIS 6 HB2 HIS 6 12.112 -8.152 4.607
216 HB3 HIS 6 HB1 HIS 6 13.234 -6.909 5.155
217 HD1 HIS 6 HD1 HIS 6 13.664 -6.806 7.651
218 HD2 HIS 6 HD2 HIS 6 10.386 -9.150 6.662
219 HE1 HIS 6 HE1 HIS 6 12.947 -7.940 9.792
220 H SER 7 HN SER 7 9.837 -5.720 2.826
221 HA SER 7 HA SER 7 12.040 -4.584 1.319
222 HB2 SER 7 HB2 SER 7 9.205 -5.261 0.534
223 HB3 SER 7 HB1 SER 7 10.505 -4.796 -0.570
224 HG SER 7 HG SER 7 11.619 -6.667 0.528
225 H CYS 8 HN CYS 8 12.275 -2.439 1.545
226 HA CYS 8 HA CYS 8 9.902 -0.896 2.312
227 HB2 CYS 8 HB2 CYS 8 12.767 -0.067 2.716
228 HB3 CYS 8 HB1 CYS 8 11.331 0.602 3.464
229 H VAL 9 HN VAL 9 9.497 1.050 1.294
230 HA VAL 9 HA VAL 9 11.133 1.687 -1.038
231 HB VAL 9 HB VAL 9 9.070 2.657 -2.114
232 HG11 VAL 9 HG11 VAL 9 9.849 0.464 -2.790
233 HG12 VAL 9 HG12 VAL 9 8.086 0.520 -2.817
234 HG13 VAL 9 3HG1 VAL 9 8.922 -0.288 -1.491
235 HG21 VAL 9 HG21 VAL 9 7.698 2.979 -0.114
236 HG22 VAL 9 HG22 VAL 9 7.609 1.233 0.119
237 HG23 VAL 9 HG23 VAL 9 6.849 1.974 -1.289
238 HA PRO 10 HA PRO 10 12.054 5.425 0.951
239 HB2 PRO 10 HB2 PRO 10 12.350 7.117 -1.182
240 HB3 PRO 10 HB1 PRO 10 13.548 5.919 -0.683
241 HG2 PRO 10 HG2 PRO 10 11.467 5.735 -2.826
242 HG3 PRO 10 HG1 PRO 10 13.166 5.230 -2.874
243 HD2 PRO 10 HD2 PRO 10 11.196 3.459 -2.512
244 HD3 PRO 10 HD1 PRO 10 12.750 3.292 -1.669
245 H SER 11 HN SER 11 11.460 7.625 1.324
246 HA SER 11 HA SER 11 8.681 8.060 1.508
247 HB2 SER 11 HB2 SER 11 11.009 9.963 1.927
248 HB3 SER 11 HB1 SER 11 9.351 10.238 2.460
249 HG SER 11 HG SER 11 10.814 7.939 3.289
250 H GLY 12 HN GLY 12 7.375 8.832 -0.022
251 HA2 GLY 12 HA2 GLY 12 6.867 10.621 -1.570
252 HA3 GLY 12 HA1 GLY 12 8.533 10.536 -2.133
253 H THR 13 HN THR 13 7.718 7.440 -1.661
254 HA THR 13 HA THR 13 7.299 6.890 -4.426
255 HB THR 13 HB THR 13 7.052 5.071 -2.002
256 HG1 THR 13 HG1 THR 13 9.099 5.694 -2.035
257 HG21 THR 13 HG21 THR 13 7.441 4.380 -4.927
258 HG22 THR 13 HG22 THR 13 5.960 4.129 -4.005
259 HG23 THR 13 HG23 THR 13 7.420 3.231 -3.587
260 H CYS 14 HN CYS 14 5.370 6.344 -5.448
261 HA CYS 14 HA CYS 14 2.972 6.477 -3.788
262 HB2 CYS 14 HB2 CYS 14 3.291 7.581 -6.589
263 HB3 CYS 14 HB1 CYS 14 1.827 7.619 -5.609
264 H ALA 15 HN ALA 15 1.237 5.162 -4.428
265 HA ALA 15 HA ALA 15 1.800 3.194 -6.499
266 HB1 ALA 15 HB1 ALA 15 1.132 1.356 -5.008
267 HB2 ALA 15 HB2 ALA 15 0.991 2.500 -3.671
268 HB3 ALA 15 HB3 ALA 15 2.565 2.187 -4.397
269 H ASP 16 HN ASP 16 -0.140 2.049 -7.149
270 HA ASP 16 HA ASP 16 -2.463 3.823 -7.018
271 HB2 ASP 16 HB2 ASP 16 -1.599 3.122 -9.240
272 HB3 ASP 16 HB1 ASP 16 -1.923 1.450 -8.814
273 H PHE 17 HN PHE 17 -4.114 3.353 -5.721
274 HA PHE 17 HA PHE 17 -4.569 0.550 -4.996
275 HB2 PHE 17 HB2 PHE 17 -4.884 3.027 -3.292
276 HB3 PHE 17 HB1 PHE 17 -5.471 1.436 -2.842
277 HD1 PHE 17 HD1 PHE 17 -3.892 -0.341 -2.306
278 HD2 PHE 17 HD2 PHE 17 -2.639 3.621 -3.094
279 HE1 PHE 17 HE1 PHE 17 -1.742 -0.829 -1.236
280 HE2 PHE 17 HE2 PHE 17 -0.462 3.157 -2.027
281 HZ PHE 17 HZ PHE 17 -0.018 0.922 -1.094
282 HA PRO 18 HA PRO 18 -8.785 1.564 -6.206
283 HB2 PRO 18 HB2 PRO 18 -9.862 -0.239 -4.177
284 HB3 PRO 18 HB1 PRO 18 -9.857 -0.446 -5.927
285 HG2 PRO 18 HG2 PRO 18 -8.367 -1.988 -4.271
286 HG3 PRO 18 HG1 PRO 18 -7.859 -1.582 -5.919
287 HD2 PRO 18 HD2 PRO 18 -6.989 -0.374 -3.319
288 HD3 PRO 18 HD1 PRO 18 -6.023 -0.814 -4.737
289 H TRP 19 HN TRP 19 -10.834 2.313 -5.189
290 HA TRP 19 HA TRP 19 -10.435 4.273 -3.196
291 HB2 TRP 19 HB2 TRP 19 -12.171 4.263 -5.073
292 HB3 TRP 19 HB1 TRP 19 -13.055 3.058 -4.152
293 HD1 TRP 19 HD1 TRP 19 -12.034 6.770 -4.008
294 HE1 TRP 19 HE1 TRP 19 -13.691 8.005 -2.468
295 HE3 TRP 19 3HE TRP 19 -14.693 2.769 -2.310
296 HZ2 TRP 19 HZ2 TRP 19 -15.844 7.367 -0.775
297 HZ3 TRP 19 HZ3 TRP 19 -16.547 3.162 -0.739
298 HH2 TRP 19 2HH TRP 19 -17.104 5.419 0.011
299 HA PRO 20 HA PRO 20 -11.682 5.212 -1.521
300 HB2 PRO 20 HB2 PRO 20 -11.514 5.764 1.063
301 HB3 PRO 20 HB1 PRO 20 -12.967 5.043 0.364
302 HG2 PRO 20 HG2 PRO 20 -10.809 3.764 1.973
303 HG3 PRO 20 HG1 PRO 20 -12.549 3.446 1.973
304 HD2 PRO 20 HD2 PRO 20 -10.599 1.963 0.607
305 HD3 PRO 20 HD1 PRO 20 -12.347 1.885 0.335
306 H LEU 21 HN LEU 21 -8.945 3.509 -1.394
307 HA LEU 21 HA LEU 21 -7.302 5.579 -0.210
308 HB2 LEU 21 HB2 LEU 21 -6.584 2.997 -1.576
309 HB3 LEU 21 HB1 LEU 21 -5.369 4.196 -1.217
310 HG LEU 21 HG LEU 21 -6.034 3.967 1.205
311 HD11 LEU 21 HD11 LEU 21 -7.143 1.925 1.878
312 HD12 LEU 21 HD12 LEU 21 -7.353 1.492 0.182
313 HD13 LEU 21 HD13 LEU 21 -8.207 2.894 0.845
314 HD21 LEU 21 HD21 LEU 21 -4.887 1.578 -0.202
315 HD22 LEU 21 HD22 LEU 21 -4.737 1.927 1.519
316 HD23 LEU 21 HD23 LEU 21 -4.007 3.009 0.334
317 H GLY 22 HN GLY 22 -7.684 4.148 -3.410
318 HA2 GLY 22 HA2 GLY 22 -7.535 5.073 -5.491
319 HA3 GLY 22 HA1 GLY 22 -7.650 6.657 -4.737
320 H HIS 23 HN HIS 23 -5.960 7.871 -5.175
321 HA HIS 23 HA HIS 23 -3.464 6.537 -5.783
322 HB2 HIS 23 HB2 HIS 23 -2.624 8.773 -6.560
323 HB3 HIS 23 HB1 HIS 23 -4.065 8.258 -7.408
324 HD1 HIS 23 HD1 HIS 23 -2.779 10.908 -5.066
325 HD2 HIS 23 HD2 HIS 23 -6.291 9.891 -7.042
326 HE1 HIS 23 HE1 HIS 23 -4.266 12.920 -4.913
327 H GLN 24 HN GLN 24 -2.020 6.170 -4.256
328 HA GLN 24 HA GLN 24 -2.008 8.013 -1.990
329 HB2 GLN 24 HB2 GLN 24 -1.956 5.013 -1.873
330 HB3 GLN 24 HB1 GLN 24 -1.430 6.031 -0.548
331 HG2 GLN 24 HG2 GLN 24 -4.166 6.109 -1.782
332 HG3 GLN 24 HG1 GLN 24 -3.736 5.269 -0.287
333 HE21 GLN 24 1HE2 GLN 24 -5.544 7.553 -0.839
334 HE22 GLN 24 2HE2 GLN 24 -5.004 8.785 0.249
335 H CYS 25 HN CYS 25 -0.167 8.590 -1.187
336 HA CYS 25 HA CYS 25 2.207 7.377 -2.329
337 HB2 CYS 25 HB2 CYS 25 1.787 10.238 -1.441
338 HB3 CYS 25 HB1 CYS 25 3.317 9.563 -1.992
339 H PHE 26 HN PHE 26 4.028 7.308 -0.927
340 HA PHE 26 HA PHE 26 3.214 7.003 1.866
341 HB2 PHE 26 HB2 PHE 26 5.657 5.831 0.514
342 HB3 PHE 26 HB1 PHE 26 4.975 5.374 2.072
343 HD1 PHE 26 HD1 PHE 26 2.501 4.469 1.976
344 HD2 PHE 26 HD2 PHE 26 5.163 4.563 -1.335
345 HE1 PHE 26 HE1 PHE 26 1.164 2.740 0.854
346 HE2 PHE 26 HE2 PHE 26 3.836 2.840 -2.461
347 HZ PHE 26 HZ PHE 26 1.835 1.930 -1.377
348 HA PRO 27 HA PRO 27 5.736 10.800 1.808
349 HB2 PRO 27 HB2 PRO 27 4.780 11.847 4.119
350 HB3 PRO 27 HB1 PRO 27 3.897 11.940 2.592
351 HG2 PRO 27 HG2 PRO 27 3.524 10.058 4.882
352 HG3 PRO 27 HG1 PRO 27 2.297 10.881 3.904
353 HD2 PRO 27 HD2 PRO 27 3.012 8.287 3.552
354 HD3 PRO 27 HD1 PRO 27 2.417 9.305 2.228
355 H ASP 28 HN ASP 28 5.482 8.425 4.286
356 HA ASP 28 HA ASP 28 8.054 9.285 5.447
357 HB2 ASP 28 HB2 ASP 28 5.851 7.575 6.627
358 HB3 ASP 28 HB1 ASP 28 7.385 7.900 7.416
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 -5.765 -7.632 4.411
2 HA2 GLY 1 HA2 GLY 1 -7.075 -5.852 3.620
3 HA3 GLY 1 HA1 GLY 1 -7.606 -5.547 5.276
4 H PHE 2 HN PHE 2 -6.979 -3.304 4.220
5 HA PHE 2 HA PHE 2 -4.454 -2.648 5.418
6 HB2 PHE 2 HB2 PHE 2 -3.762 -3.330 3.156
7 HB3 PHE 2 HB1 PHE 2 -4.892 -2.182 2.460
8 HD1 PHE 2 HD1 PHE 2 -3.912 -0.312 1.593
9 HD2 PHE 2 HD2 PHE 2 -2.181 -2.106 5.039
10 HE1 PHE 2 HE1 PHE 2 -2.155 1.408 1.600
11 HE2 PHE 2 HE2 PHE 2 -0.423 -0.390 5.056
12 HZ PHE 2 HZ PHE 2 -0.407 1.371 3.334
13 H CYS 3 HN CYS 3 -4.508 -0.614 6.208
14 HA CYS 3 HA CYS 3 -6.480 1.202 5.119
15 HB2 CYS 3 HB2 CYS 3 -7.450 -0.019 7.112
16 HB3 CYS 3 HB1 CYS 3 -6.171 0.701 8.087
17 H TRP 4 HN TRP 4 -5.567 3.026 4.710
18 HA TRP 4 HA TRP 4 -3.351 4.031 6.322
19 HB2 TRP 4 HB2 TRP 4 -2.361 2.778 4.371
20 HB3 TRP 4 HB1 TRP 4 -3.274 3.812 3.285
21 HD1 TRP 4 HD1 TRP 4 -2.410 6.369 3.013
22 HE1 TRP 4 HE1 TRP 4 -0.136 7.447 3.459
23 HE3 TRP 4 3HE TRP 4 -0.316 2.676 5.869
24 HZ2 TRP 4 HZ2 TRP 4 2.242 6.828 4.838
25 HZ3 TRP 4 HZ3 TRP 4 1.977 2.999 6.702
26 HH2 TRP 4 2HH TRP 4 3.231 5.030 6.196
27 H HIS 5 HN HIS 5 -3.421 6.296 6.425
28 HA HIS 5 HA HIS 5 -4.296 8.366 6.335
29 HB2 HIS 5 HB2 HIS 5 -3.558 8.143 3.928
30 HB3 HIS 5 HB1 HIS 5 -5.161 7.556 3.523
31 HD1 HIS 5 HD1 HIS 5 -6.555 9.358 2.480
32 HD2 HIS 5 HD2 HIS 5 -3.792 10.833 5.183
33 HE1 HIS 5 HE1 HIS 5 -6.863 11.842 2.463
34 H HIS 6 HN HIS 6 -5.799 6.130 7.339
35 HA HIS 6 HA HIS 6 -7.738 5.671 8.330
36 HB2 HIS 6 HB2 HIS 6 -8.441 8.494 7.526
37 HB3 HIS 6 HB1 HIS 6 -9.514 7.471 8.469
38 HD1 HIS 6 HD1 HIS 6 -9.233 7.703 10.962
39 HD2 HIS 6 HD2 HIS 6 -5.850 8.885 8.870
40 HE1 HIS 6 HE1 HIS 6 -7.650 8.649 12.678
41 H SER 7 HN SER 7 -7.341 5.412 5.275
42 HA SER 7 HA SER 7 -10.151 4.917 4.662
43 HB2 SER 7 HB2 SER 7 -7.767 5.139 2.825
44 HB3 SER 7 HB1 SER 7 -9.465 5.036 2.335
45 HG SER 7 HG SER 7 -8.954 7.003 4.125
46 H CYS 8 HN CYS 8 -10.665 2.820 4.856
47 HA CYS 8 HA CYS 8 -8.447 0.906 4.945
48 HB2 CYS 8 HB2 CYS 8 -11.217 0.598 6.100
49 HB3 CYS 8 HB1 CYS 8 -9.824 -0.432 6.380
50 H VAL 9 HN VAL 9 -8.398 -0.759 3.530
51 HA VAL 9 HA VAL 9 -10.734 -1.115 1.834
52 HB VAL 9 HB VAL 9 -9.216 -2.193 0.146
53 HG11 VAL 9 HG11 VAL 9 -9.865 0.089 -0.161
54 HG12 VAL 9 HG12 VAL 9 -8.169 -0.088 -0.631
55 HG13 VAL 9 3HG1 VAL 9 -8.593 0.623 0.931
56 HG21 VAL 9 HG21 VAL 9 -7.010 -1.162 1.935
57 HG22 VAL 9 HG22 VAL 9 -6.784 -1.821 0.316
58 HG23 VAL 9 HG23 VAL 9 -7.381 -2.856 1.615
59 HA PRO 10 HA PRO 10 -11.549 -5.025 3.579
60 HB2 PRO 10 HB2 PRO 10 -12.061 -6.067 0.863
61 HB3 PRO 10 HB1 PRO 10 -13.155 -5.967 2.249
62 HG2 PRO 10 HG2 PRO 10 -13.458 -4.315 0.195
63 HG3 PRO 10 HG1 PRO 10 -13.636 -3.717 1.853
64 HD2 PRO 10 HD2 PRO 10 -11.301 -3.471 0.003
65 HD3 PRO 10 HD1 PRO 10 -12.069 -2.242 1.035
66 H SER 11 HN SER 11 -10.943 -7.174 3.772
67 HA SER 11 HA SER 11 -8.243 -7.758 3.277
68 HB2 SER 11 HB2 SER 11 -10.513 -9.587 4.097
69 HB3 SER 11 HB1 SER 11 -8.789 -9.904 4.313
70 HG SER 11 HG SER 11 -9.665 -7.491 5.347
71 H GLY 12 HN GLY 12 -7.323 -8.626 1.502
72 HA2 GLY 12 HA2 GLY 12 -7.418 -10.387 -0.194
73 HA3 GLY 12 HA1 GLY 12 -9.102 -9.941 -0.444
74 H THR 13 HN THR 13 -7.834 -7.067 0.041
75 HA THR 13 HA THR 13 -7.669 -6.374 -2.703
76 HB THR 13 HB THR 13 -6.776 -4.790 -0.268
77 HG1 THR 13 HG1 THR 13 -8.903 -5.100 0.040
78 HG21 THR 13 HG21 THR 13 -7.143 -2.816 -1.711
79 HG22 THR 13 HG22 THR 13 -7.528 -3.883 -3.062
80 HG23 THR 13 HG23 THR 13 -5.904 -3.879 -2.379
81 H CYS 14 HN CYS 14 -5.930 -6.565 -4.009
82 HA CYS 14 HA CYS 14 -3.313 -6.851 -2.734
83 HB2 CYS 14 HB2 CYS 14 -4.070 -7.788 -5.516
84 HB3 CYS 14 HB1 CYS 14 -2.596 -8.163 -4.643
85 H ALA 15 HN ALA 15 -1.497 -5.672 -3.749
86 HA ALA 15 HA ALA 15 -2.320 -3.579 -5.594
87 HB1 ALA 15 HB1 ALA 15 -0.952 -3.029 -2.966
88 HB2 ALA 15 HB2 ALA 15 -2.628 -2.644 -3.356
89 HB3 ALA 15 HB3 ALA 15 -1.315 -1.841 -4.216
90 H ASP 16 HN ASP 16 -0.550 -2.530 -6.627
91 HA ASP 16 HA ASP 16 1.786 -4.281 -6.794
92 HB2 ASP 16 HB2 ASP 16 2.155 -3.532 -9.023
93 HB3 ASP 16 HB1 ASP 16 0.420 -3.752 -8.908
94 H PHE 17 HN PHE 17 3.784 -3.562 -6.309
95 HA PHE 17 HA PHE 17 4.149 -0.727 -5.742
96 HB2 PHE 17 HB2 PHE 17 4.957 -3.065 -3.999
97 HB3 PHE 17 HB1 PHE 17 5.530 -1.424 -3.768
98 HD1 PHE 17 HD1 PHE 17 3.971 0.324 -3.030
99 HD2 PHE 17 HD2 PHE 17 2.808 -3.765 -3.257
100 HE1 PHE 17 HE1 PHE 17 2.086 0.782 -1.540
101 HE2 PHE 17 HE2 PHE 17 0.913 -3.311 -1.768
102 HZ PHE 17 HZ PHE 17 0.548 -1.032 -0.906
103 HA PRO 18 HA PRO 18 8.062 -1.411 -7.841
104 HB2 PRO 18 HB2 PRO 18 9.473 0.344 -5.974
105 HB3 PRO 18 HB1 PRO 18 9.084 0.626 -7.670
106 HG2 PRO 18 HG2 PRO 18 7.904 1.996 -5.676
107 HG3 PRO 18 HG1 PRO 18 7.064 1.592 -7.184
108 HD2 PRO 18 HD2 PRO 18 6.891 0.254 -4.510
109 HD3 PRO 18 HD1 PRO 18 5.596 0.674 -5.644
110 H TRP 19 HN TRP 19 10.372 -1.965 -7.419
111 HA TRP 19 HA TRP 19 10.700 -4.135 -5.681
112 HB2 TRP 19 HB2 TRP 19 12.010 -3.726 -7.779
113 HB3 TRP 19 HB1 TRP 19 12.806 -2.369 -6.997
114 HD1 TRP 19 HD1 TRP 19 12.829 -6.169 -7.177
115 HE1 TRP 19 HE1 TRP 19 14.919 -7.050 -5.960
116 HE3 TRP 19 3HE TRP 19 14.440 -1.815 -5.095
117 HZ2 TRP 19 HZ2 TRP 19 16.969 -6.027 -4.319
118 HZ3 TRP 19 HZ3 TRP 19 16.447 -1.842 -3.713
119 HH2 TRP 19 2HH TRP 19 17.694 -3.896 -3.331
120 HA PRO 20 HA PRO 20 12.024 -5.114 -4.410
121 HB2 PRO 20 HB2 PRO 20 12.661 -5.978 -1.973
122 HB3 PRO 20 HB1 PRO 20 13.825 -5.107 -2.976
123 HG2 PRO 20 HG2 PRO 20 12.334 -4.182 -0.586
124 HG3 PRO 20 HG1 PRO 20 13.904 -3.652 -1.207
125 HD2 PRO 20 HD2 PRO 20 11.352 -2.400 -1.588
126 HD3 PRO 20 HD1 PRO 20 12.916 -1.906 -2.257
127 H LEU 21 HN LEU 21 9.536 -3.504 -3.277
128 HA LEU 21 HA LEU 21 8.377 -5.416 -1.478
129 HB2 LEU 21 HB2 LEU 21 8.057 -2.988 -1.224
130 HB3 LEU 21 HB1 LEU 21 7.176 -2.946 -2.734
131 HG LEU 21 HG LEU 21 5.329 -4.176 -1.735
132 HD11 LEU 21 HD11 LEU 21 5.390 -4.804 0.619
133 HD12 LEU 21 HD12 LEU 21 7.055 -4.254 0.732
134 HD13 LEU 21 HD13 LEU 21 6.648 -5.646 -0.281
135 HD21 LEU 21 HD21 LEU 21 6.323 -1.996 0.091
136 HD22 LEU 21 HD22 LEU 21 4.665 -2.586 -0.019
137 HD23 LEU 21 HD23 LEU 21 5.399 -1.762 -1.393
138 H GLY 22 HN GLY 22 7.746 -4.319 -4.779
139 HA2 GLY 22 HA2 GLY 22 7.006 -5.542 -6.584
140 HA3 GLY 22 HA1 GLY 22 7.089 -6.980 -5.583
141 H HIS 23 HN HIS 23 5.169 -7.873 -6.106
142 HA HIS 23 HA HIS 23 2.774 -6.233 -5.829
143 HB2 HIS 23 HB2 HIS 23 3.225 -8.926 -7.123
144 HB3 HIS 23 HB1 HIS 23 1.616 -8.300 -6.796
145 HD1 HIS 23 HD1 HIS 23 0.609 -7.121 -8.751
146 HD2 HIS 23 HD2 HIS 23 4.755 -6.937 -8.772
147 HE1 HIS 23 HE1 HIS 23 1.240 -5.927 -10.868
148 H GLN 24 HN GLN 24 1.943 -6.189 -3.933
149 HA GLN 24 HA GLN 24 2.155 -8.579 -2.256
150 HB2 GLN 24 HB2 GLN 24 2.104 -5.678 -1.451
151 HB3 GLN 24 HB1 GLN 24 1.959 -7.016 -0.321
152 HG2 GLN 24 HG2 GLN 24 4.302 -6.548 -2.139
153 HG3 GLN 24 HG1 GLN 24 4.217 -6.072 -0.445
154 HE21 GLN 24 1HE2 GLN 24 6.004 -7.899 -1.837
155 HE22 GLN 24 2HE2 GLN 24 5.896 -9.403 -1.011
156 H CYS 25 HN CYS 25 0.366 -8.994 -0.885
157 HA CYS 25 HA CYS 25 -2.011 -7.582 -1.687
158 HB2 CYS 25 HB2 CYS 25 -1.821 -9.798 -2.866
159 HB3 CYS 25 HB1 CYS 25 -1.889 -10.575 -1.287
160 H PHE 26 HN PHE 26 -3.615 -7.520 -0.054
161 HA PHE 26 HA PHE 26 -2.387 -7.844 2.577
162 HB2 PHE 26 HB2 PHE 26 -4.636 -6.002 1.753
163 HB3 PHE 26 HB1 PHE 26 -3.812 -6.023 3.305
164 HD1 PHE 26 HD1 PHE 26 -1.354 -5.394 3.361
165 HD2 PHE 26 HD2 PHE 26 -3.830 -4.709 -0.029
166 HE1 PHE 26 HE1 PHE 26 0.257 -3.738 2.521
167 HE2 PHE 26 HE2 PHE 26 -2.226 -3.055 -0.876
168 HZ PHE 26 HZ PHE 26 -0.173 -2.568 0.402
169 HA PRO 27 HA PRO 27 -5.778 -10.920 2.679
170 HB2 PRO 27 HB2 PRO 27 -4.642 -12.556 4.527
171 HB3 PRO 27 HB1 PRO 27 -4.214 -12.622 2.815
172 HG2 PRO 27 HG2 PRO 27 -2.753 -11.359 5.087
173 HG3 PRO 27 HG1 PRO 27 -2.107 -12.238 3.693
174 HD2 PRO 27 HD2 PRO 27 -2.140 -9.501 3.913
175 HD3 PRO 27 HD1 PRO 27 -2.118 -10.367 2.366
176 H ASP 28 HN ASP 28 -4.223 -9.091 5.094
177 HA ASP 28 HA ASP 28 -6.343 -9.464 7.074
178 HB2 ASP 28 HB2 ASP 28 -4.057 -9.519 7.912
179 HB3 ASP 28 HB1 ASP 28 -3.691 -7.992 7.132
180 H1 GLY 1 HN GLY 1 7.101 7.406 2.687
181 HA2 GLY 1 HA2 GLY 1 7.866 5.552 1.479
182 HA3 GLY 1 HA1 GLY 1 9.044 5.238 2.753
183 H PHE 2 HN PHE 2 7.945 3.023 2.117
184 HA PHE 2 HA PHE 2 5.992 2.485 4.192
185 HB2 PHE 2 HB2 PHE 2 4.607 3.087 2.258
186 HB3 PHE 2 HB1 PHE 2 5.476 1.937 1.258
187 HD1 PHE 2 HD1 PHE 2 4.487 -0.095 0.872
188 HD2 PHE 2 HD2 PHE 2 3.504 2.024 4.428
189 HE1 PHE 2 HE1 PHE 2 2.833 -1.819 1.435
190 HE2 PHE 2 HE2 PHE 2 1.850 0.299 5.000
191 HZ PHE 2 HZ PHE 2 1.511 -1.625 3.502
192 H CYS 3 HN CYS 3 6.156 0.375 4.912
193 HA CYS 3 HA CYS 3 7.828 -1.406 3.349
194 HB2 CYS 3 HB2 CYS 3 9.221 -0.206 5.083
195 HB3 CYS 3 HB1 CYS 3 8.214 -0.966 6.312
196 H TRP 4 HN TRP 4 6.966 -3.333 3.197
197 HA TRP 4 HA TRP 4 5.168 -4.305 5.257
198 HB2 TRP 4 HB2 TRP 4 3.760 -3.129 3.551
199 HB3 TRP 4 HB1 TRP 4 4.440 -4.156 2.305
200 HD1 TRP 4 HD1 TRP 4 3.488 -6.654 2.132
201 HE1 TRP 4 HE1 TRP 4 1.396 -7.785 3.097
202 HE3 TRP 4 3HE TRP 4 2.217 -3.141 5.631
203 HZ2 TRP 4 HZ2 TRP 4 -0.555 -7.254 5.079
204 HZ3 TRP 4 HZ3 TRP 4 0.217 -3.530 7.014
205 HH2 TRP 4 2HH TRP 4 -1.136 -5.543 6.742
206 H HIS 5 HN HIS 5 5.300 -6.525 5.396
207 HA HIS 5 HA HIS 5 6.110 -8.631 5.193
208 HB2 HIS 5 HB2 HIS 5 4.949 -8.370 2.920
209 HB3 HIS 5 HB1 HIS 5 6.533 -8.024 2.245
210 HD1 HIS 5 HD1 HIS 5 7.589 -10.070 1.220
211 HD2 HIS 5 HD2 HIS 5 5.035 -10.997 4.350
212 HE1 HIS 5 HE1 HIS 5 7.564 -12.583 1.379
213 H HIS 6 HN HIS 6 7.858 -6.295 5.634
214 HA HIS 6 HA HIS 6 9.962 -5.815 6.164
215 HB2 HIS 6 HB2 HIS 6 10.635 -8.634 5.285
216 HB3 HIS 6 HB1 HIS 6 11.806 -7.533 5.998
217 HD1 HIS 6 HD1 HIS 6 11.751 -7.301 8.581
218 HD2 HIS 6 HD2 HIS 6 8.640 -9.572 7.030
219 HE1 HIS 6 HE1 HIS 6 10.632 -8.386 10.544
220 H SER 7 HN SER 7 8.848 -5.932 3.229
221 HA SER 7 HA SER 7 11.353 -5.175 1.948
222 HB2 SER 7 HB2 SER 7 8.598 -5.597 0.778
223 HB3 SER 7 HB1 SER 7 10.092 -5.335 -0.130
224 HG SER 7 HG SER 7 10.420 -7.359 1.587
225 H CYS 8 HN CYS 8 11.800 -3.047 2.121
226 HA CYS 8 HA CYS 8 9.594 -1.199 2.624
227 HB2 CYS 8 HB2 CYS 8 12.541 -0.756 3.061
228 HB3 CYS 8 HB1 CYS 8 11.216 0.219 3.670
229 H VAL 9 HN VAL 9 9.133 0.382 1.218
230 HA VAL 9 HA VAL 9 10.945 0.792 -1.036
231 HB VAL 9 HB VAL 9 8.984 1.810 -2.242
232 HG11 VAL 9 HG11 VAL 9 8.650 -1.024 -1.322
233 HG12 VAL 9 HG12 VAL 9 9.600 -0.469 -2.704
234 HG13 VAL 9 3HG1 VAL 9 7.840 -0.319 -2.717
235 HG21 VAL 9 HG21 VAL 9 6.705 1.366 -1.409
236 HG22 VAL 9 HG22 VAL 9 7.604 2.424 -0.319
237 HG23 VAL 9 HG23 VAL 9 7.388 0.722 0.085
238 HA PRO 10 HA PRO 10 12.147 4.620 0.529
239 HB2 PRO 10 HB2 PRO 10 12.556 6.063 -1.752
240 HB3 PRO 10 HB1 PRO 10 13.650 4.804 -1.174
241 HG2 PRO 10 HG2 PRO 10 11.515 4.644 -3.261
242 HG3 PRO 10 HG1 PRO 10 13.155 3.970 -3.283
243 HD2 PRO 10 HD2 PRO 10 11.007 2.457 -2.739
244 HD3 PRO 10 HD1 PRO 10 12.571 2.180 -1.944
245 H SER 11 HN SER 11 11.707 6.830 0.768
246 HA SER 11 HA SER 11 9.045 7.598 0.941
247 HB2 SER 11 HB2 SER 11 11.497 9.360 0.793
248 HB3 SER 11 HB1 SER 11 9.972 9.709 1.614
249 HG SER 11 HG SER 11 11.464 8.997 3.129
250 H GLY 12 HN GLY 12 7.739 8.632 -0.515
251 HA2 GLY 12 HA2 GLY 12 7.403 10.121 -2.336
252 HA3 GLY 12 HA1 GLY 12 8.993 9.681 -2.946
253 H THR 13 HN THR 13 7.755 6.821 -2.002
254 HA THR 13 HA THR 13 7.054 6.016 -4.620
255 HB THR 13 HB THR 13 6.587 4.642 -1.955
256 HG1 THR 13 HG1 THR 13 8.725 4.678 -2.186
257 HG21 THR 13 HG21 THR 13 6.395 2.571 -3.282
258 HG22 THR 13 HG22 THR 13 6.512 3.519 -4.764
259 HG23 THR 13 HG23 THR 13 5.122 3.720 -3.697
260 H CYS 14 HN CYS 14 5.192 6.390 -5.625
261 HA CYS 14 HA CYS 14 2.789 6.876 -4.018
262 HB2 CYS 14 HB2 CYS 14 3.328 7.837 -6.835
263 HB3 CYS 14 HB1 CYS 14 2.001 8.300 -5.784
264 H ALA 15 HN ALA 15 1.019 5.593 -4.461
265 HA ALA 15 HA ALA 15 1.196 3.788 -6.751
266 HB1 ALA 15 HB1 ALA 15 2.135 2.573 -4.833
267 HB2 ALA 15 HB2 ALA 15 0.609 1.866 -5.364
268 HB3 ALA 15 HB3 ALA 15 0.656 2.880 -3.923
269 H ASP 16 HN ASP 16 -0.815 2.896 -7.364
270 HA ASP 16 HA ASP 16 -3.071 4.595 -6.595
271 HB2 ASP 16 HB2 ASP 16 -2.553 4.526 -8.992
272 HB3 ASP 16 HB1 ASP 16 -2.699 2.773 -8.985
273 H PHE 17 HN PHE 17 -4.495 3.777 -5.228
274 HA PHE 17 HA PHE 17 -4.791 0.867 -5.072
275 HB2 PHE 17 HB2 PHE 17 -5.258 3.005 -2.983
276 HB3 PHE 17 HB1 PHE 17 -5.605 1.300 -2.768
277 HD1 PHE 17 HD1 PHE 17 -3.837 -0.282 -2.423
278 HD2 PHE 17 HD2 PHE 17 -2.985 3.852 -2.955
279 HE1 PHE 17 HE1 PHE 17 -1.601 -0.635 -1.526
280 HE2 PHE 17 HE2 PHE 17 -0.729 3.507 -2.058
281 HZ PHE 17 HZ PHE 17 -0.028 1.260 -1.340
282 HA PRO 18 HA PRO 18 -9.074 1.580 -6.130
283 HB2 PRO 18 HB2 PRO 18 -10.160 -0.311 -4.251
284 HB3 PRO 18 HB1 PRO 18 -9.920 -0.518 -5.984
285 HG2 PRO 18 HG2 PRO 18 -8.517 -1.851 -3.994
286 HG3 PRO 18 HG1 PRO 18 -8.015 -1.694 -5.680
287 HD2 PRO 18 HD2 PRO 18 -7.020 -0.271 -3.278
288 HD3 PRO 18 HD1 PRO 18 -6.205 -0.653 -4.796
289 H TRP 19 HN TRP 19 -11.191 2.169 -5.220
290 HA TRP 19 HA TRP 19 -11.100 4.127 -3.185
291 HB2 TRP 19 HB2 TRP 19 -12.720 4.003 -5.115
292 HB3 TRP 19 HB1 TRP 19 -13.477 2.622 -4.347
293 HD1 TRP 19 HD1 TRP 19 -13.198 6.420 -4.120
294 HE1 TRP 19 HE1 TRP 19 -15.095 7.300 -2.627
295 HE3 TRP 19 3HE TRP 19 -15.002 1.967 -2.380
296 HZ2 TRP 19 HZ2 TRP 19 -17.089 6.256 -0.943
297 HZ3 TRP 19 HZ3 TRP 19 -16.898 1.995 -0.831
298 HH2 TRP 19 2HH TRP 19 -17.927 4.097 -0.124
299 HA PRO 20 HA PRO 20 -12.282 4.962 -1.533
300 HB2 PRO 20 HB2 PRO 20 -12.490 5.429 1.050
301 HB3 PRO 20 HB1 PRO 20 -13.797 4.589 0.201
302 HG2 PRO 20 HG2 PRO 20 -11.658 3.468 1.967
303 HG3 PRO 20 HG1 PRO 20 -13.369 3.029 1.875
304 HD2 PRO 20 HD2 PRO 20 -11.260 1.694 0.604
305 HD3 PRO 20 HD1 PRO 20 -12.982 1.516 0.218
306 H LEU 21 HN LEU 21 -9.691 3.225 -1.233
307 HA LEU 21 HA LEU 21 -8.077 4.805 0.550
308 HB2 LEU 21 HB2 LEU 21 -7.902 2.298 0.122
309 HB3 LEU 21 HB1 LEU 21 -7.194 2.696 -1.421
310 HG LEU 21 HG LEU 21 -5.243 3.663 -0.322
311 HD11 LEU 21 HD11 LEU 21 -6.759 3.019 2.202
312 HD12 LEU 21 HD12 LEU 21 -6.280 4.627 1.615
313 HD13 LEU 21 HD13 LEU 21 -5.060 3.472 2.125
314 HD21 LEU 21 HD21 LEU 21 -6.025 1.042 0.910
315 HD22 LEU 21 HD22 LEU 21 -4.394 1.698 0.791
316 HD23 LEU 21 HD23 LEU 21 -5.270 1.242 -0.677
317 H GLY 22 HN GLY 22 -8.143 4.081 -2.919
318 HA2 GLY 22 HA2 GLY 22 -7.961 5.551 -4.701
319 HA3 GLY 22 HA1 GLY 22 -7.757 6.859 -3.543
320 H HIS 23 HN HIS 23 -6.127 7.520 -5.180
321 HA HIS 23 HA HIS 23 -3.730 5.933 -5.182
322 HB2 HIS 23 HB2 HIS 23 -2.730 7.646 -6.629
323 HB3 HIS 23 HB1 HIS 23 -4.331 7.252 -7.227
324 HD1 HIS 23 HD1 HIS 23 -2.241 10.066 -6.101
325 HD2 HIS 23 HD2 HIS 23 -6.281 9.332 -6.733
326 HE1 HIS 23 HE1 HIS 23 -3.354 12.322 -6.173
327 H GLN 24 HN GLN 24 -2.009 6.169 -3.915
328 HA GLN 24 HA GLN 24 -2.007 8.427 -2.077
329 HB2 GLN 24 HB2 GLN 24 -1.769 5.531 -1.316
330 HB3 GLN 24 HB1 GLN 24 -1.274 6.849 -0.267
331 HG2 GLN 24 HG2 GLN 24 -3.536 7.716 -0.301
332 HG3 GLN 24 HG1 GLN 24 -4.043 6.365 -1.323
333 HE21 GLN 24 1HE2 GLN 24 -4.882 7.211 1.276
334 HE22 GLN 24 2HE2 GLN 24 -4.650 5.851 2.334
335 H CYS 25 HN CYS 25 0.008 8.825 -1.133
336 HA CYS 25 HA CYS 25 2.214 7.443 -2.370
337 HB2 CYS 25 HB2 CYS 25 1.689 9.550 -3.661
338 HB3 CYS 25 HB1 CYS 25 2.067 10.459 -2.205
339 H PHE 26 HN PHE 26 3.976 7.294 -1.117
340 HA PHE 26 HA PHE 26 3.379 7.732 1.712
341 HB2 PHE 26 HB2 PHE 26 5.396 5.902 0.403
342 HB3 PHE 26 HB1 PHE 26 4.997 5.933 2.114
343 HD1 PHE 26 HD1 PHE 26 2.630 5.321 2.797
344 HD2 PHE 26 HD2 PHE 26 4.166 4.595 -1.101
345 HE1 PHE 26 HE1 PHE 26 0.853 3.669 2.407
346 HE2 PHE 26 HE2 PHE 26 2.393 2.945 -1.501
347 HZ PHE 26 HZ PHE 26 0.728 2.479 0.261
348 HA PRO 27 HA PRO 27 6.568 10.975 1.200
349 HB2 PRO 27 HB2 PRO 27 5.657 11.825 3.858
350 HB3 PRO 27 HB1 PRO 27 5.670 12.731 2.345
351 HG2 PRO 27 HG2 PRO 27 3.374 11.882 3.459
352 HG3 PRO 27 HG1 PRO 27 3.594 11.950 1.703
353 HD2 PRO 27 HD2 PRO 27 3.749 9.592 3.539
354 HD3 PRO 27 HD1 PRO 27 2.984 9.733 1.940
355 H ASP 28 HN ASP 28 6.021 8.812 3.867
356 HA ASP 28 HA ASP 28 8.791 9.199 4.793
357 HB2 ASP 28 HB2 ASP 28 6.486 7.734 6.120
358 HB3 ASP 28 HB1 ASP 28 8.121 7.787 6.746
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 -5.823 -7.487 4.596
2 HA2 GLY 1 HA2 GLY 1 -7.124 -5.647 3.838
3 HA3 GLY 1 HA1 GLY 1 -7.658 -5.401 5.496
4 H PHE 2 HN PHE 2 -6.898 -3.212 4.352
5 HA PHE 2 HA PHE 2 -4.414 -2.511 5.637
6 HB2 PHE 2 HB2 PHE 2 -3.668 -3.235 3.395
7 HB3 PHE 2 HB1 PHE 2 -4.833 -2.151 2.655
8 HD1 PHE 2 HD1 PHE 2 -4.146 -0.043 1.997
9 HD2 PHE 2 HD2 PHE 2 -1.905 -2.124 4.954
10 HE1 PHE 2 HE1 PHE 2 -2.450 1.735 1.954
11 HE2 PHE 2 HE2 PHE 2 -0.206 -0.350 4.918
12 HZ PHE 2 HZ PHE 2 -0.477 1.583 3.416
13 H CYS 3 HN CYS 3 -4.366 -0.236 6.048
14 HA CYS 3 HA CYS 3 -6.586 1.307 5.040
15 HB2 CYS 3 HB2 CYS 3 -7.269 0.154 7.187
16 HB3 CYS 3 HB1 CYS 3 -6.003 1.072 7.993
17 H TRP 4 HN TRP 4 -6.044 3.386 4.786
18 HA TRP 4 HA TRP 4 -3.735 4.478 6.111
19 HB2 TRP 4 HB2 TRP 4 -2.900 3.244 4.030
20 HB3 TRP 4 HB1 TRP 4 -3.845 4.383 3.084
21 HD1 TRP 4 HD1 TRP 4 -2.923 6.957 3.015
22 HE1 TRP 4 HE1 TRP 4 -0.566 7.916 3.429
23 HE3 TRP 4 3HE TRP 4 -0.809 2.947 5.382
24 HZ2 TRP 4 HZ2 TRP 4 1.861 7.082 4.586
25 HZ3 TRP 4 HZ3 TRP 4 1.536 3.107 6.102
26 HH2 TRP 4 2HH TRP 4 2.842 5.130 5.711
27 H HIS 5 HN HIS 5 -4.086 6.581 6.396
28 HA HIS 5 HA HIS 5 -5.138 8.553 6.529
29 HB2 HIS 5 HB2 HIS 5 -4.066 8.701 4.261
30 HB3 HIS 5 HB1 HIS 5 -5.583 8.169 3.551
31 HD1 HIS 5 HD1 HIS 5 -6.934 10.077 2.685
32 HD2 HIS 5 HD2 HIS 5 -4.546 11.178 5.894
33 HE1 HIS 5 HE1 HIS 5 -7.307 12.531 3.016
34 H HIS 6 HN HIS 6 -6.660 6.761 7.539
35 HA HIS 6 HA HIS 6 -8.732 6.320 8.337
36 HB2 HIS 6 HB2 HIS 6 -9.543 8.739 6.723
37 HB3 HIS 6 HB1 HIS 6 -10.622 7.884 7.813
38 HD1 HIS 6 HD1 HIS 6 -10.397 8.433 10.322
39 HD2 HIS 6 HD2 HIS 6 -7.495 10.217 7.942
40 HE1 HIS 6 HE1 HIS 6 -9.270 10.156 11.767
41 H SER 7 HN SER 7 -7.977 5.775 5.232
42 HA SER 7 HA SER 7 -10.632 4.781 4.527
43 HB2 SER 7 HB2 SER 7 -8.220 5.294 2.792
44 HB3 SER 7 HB1 SER 7 -9.856 4.910 2.242
45 HG SER 7 HG SER 7 -9.068 7.192 3.724
46 H CYS 8 HN CYS 8 -10.855 2.638 4.791
47 HA CYS 8 HA CYS 8 -8.426 1.000 4.796
48 HB2 CYS 8 HB2 CYS 8 -11.053 0.312 6.115
49 HB3 CYS 8 HB1 CYS 8 -9.507 -0.479 6.326
50 H VAL 9 HN VAL 9 -8.394 -0.829 3.586
51 HA VAL 9 HA VAL 9 -10.689 -1.297 1.830
52 HB VAL 9 HB VAL 9 -9.060 -2.395 0.238
53 HG11 VAL 9 HG11 VAL 9 -9.851 -0.183 -0.224
54 HG12 VAL 9 HG12 VAL 9 -8.137 -0.278 -0.643
55 HG13 VAL 9 3HG1 VAL 9 -8.647 0.507 0.858
56 HG21 VAL 9 HG21 VAL 9 -6.983 -1.112 2.020
57 HG22 VAL 9 HG22 VAL 9 -6.665 -1.843 0.448
58 HG23 VAL 9 HG23 VAL 9 -7.230 -2.843 1.787
59 HA PRO 10 HA PRO 10 -11.264 -5.154 3.743
60 HB2 PRO 10 HB2 PRO 10 -12.267 -6.634 1.699
61 HB3 PRO 10 HB1 PRO 10 -13.175 -5.353 2.515
62 HG2 PRO 10 HG2 PRO 10 -11.650 -5.230 -0.063
63 HG3 PRO 10 HG1 PRO 10 -13.277 -4.619 0.300
64 HD2 PRO 10 HD2 PRO 10 -11.156 -2.995 0.267
65 HD3 PRO 10 HD1 PRO 10 -12.469 -2.779 1.441
66 H SER 11 HN SER 11 -10.500 -7.245 3.941
67 HA SER 11 HA SER 11 -7.940 -7.901 3.137
68 HB2 SER 11 HB2 SER 11 -8.669 -10.217 3.875
69 HB3 SER 11 HB1 SER 11 -8.901 -8.921 5.046
70 HG SER 11 HG SER 11 -11.019 -9.302 3.345
71 H GLY 12 HN GLY 12 -7.110 -8.802 1.304
72 HA2 GLY 12 HA2 GLY 12 -7.428 -10.421 -0.502
73 HA3 GLY 12 HA1 GLY 12 -9.069 -9.810 -0.636
74 H THR 13 HN THR 13 -7.802 -7.089 -0.066
75 HA THR 13 HA THR 13 -7.668 -6.260 -2.753
76 HB THR 13 HB THR 13 -6.863 -4.786 -0.228
77 HG1 THR 13 HG1 THR 13 -8.972 -5.110 -0.002
78 HG21 THR 13 HG21 THR 13 -7.225 -2.738 -1.559
79 HG22 THR 13 HG22 THR 13 -7.549 -3.726 -2.983
80 HG23 THR 13 HG23 THR 13 -5.941 -3.726 -2.260
81 H CYS 14 HN CYS 14 -5.967 -6.008 -4.073
82 HA CYS 14 HA CYS 14 -3.306 -6.487 -2.958
83 HB2 CYS 14 HB2 CYS 14 -4.386 -7.312 -5.651
84 HB3 CYS 14 HB1 CYS 14 -2.724 -7.531 -5.112
85 H ALA 15 HN ALA 15 -1.563 -5.384 -4.020
86 HA ALA 15 HA ALA 15 -2.336 -3.202 -5.761
87 HB1 ALA 15 HB1 ALA 15 -1.134 -1.575 -4.376
88 HB2 ALA 15 HB2 ALA 15 -0.838 -2.833 -3.171
89 HB3 ALA 15 HB3 ALA 15 -2.482 -2.298 -3.494
90 H ASP 16 HN ASP 16 -0.680 -2.525 -7.066
91 HA ASP 16 HA ASP 16 1.621 -4.311 -7.200
92 HB2 ASP 16 HB2 ASP 16 0.535 -2.293 -9.180
93 HB3 ASP 16 HB1 ASP 16 2.008 -3.216 -9.434
94 H PHE 17 HN PHE 17 3.265 -3.660 -6.046
95 HA PHE 17 HA PHE 17 3.775 -0.803 -5.788
96 HB2 PHE 17 HB2 PHE 17 4.691 -3.181 -4.185
97 HB3 PHE 17 HB1 PHE 17 5.345 -1.569 -3.975
98 HD1 PHE 17 HD1 PHE 17 3.985 0.191 -3.009
99 HD2 PHE 17 HD2 PHE 17 2.565 -3.795 -3.335
100 HE1 PHE 17 HE1 PHE 17 2.254 0.680 -1.332
101 HE2 PHE 17 HE2 PHE 17 0.822 -3.314 -1.660
102 HZ PHE 17 HZ PHE 17 0.678 -1.060 -0.661
103 HA PRO 18 HA PRO 18 7.644 -1.413 -8.012
104 HB2 PRO 18 HB2 PRO 18 8.926 0.531 -6.224
105 HB3 PRO 18 HB1 PRO 18 8.590 0.676 -7.950
106 HG2 PRO 18 HG2 PRO 18 7.261 2.137 -6.148
107 HG3 PRO 18 HG1 PRO 18 6.469 1.516 -7.603
108 HD2 PRO 18 HD2 PRO 18 6.409 0.415 -4.816
109 HD3 PRO 18 HD1 PRO 18 5.066 0.681 -5.952
110 H TRP 19 HN TRP 19 9.989 -1.812 -7.487
111 HA TRP 19 HA TRP 19 10.377 -3.952 -5.754
112 HB2 TRP 19 HB2 TRP 19 11.773 -3.272 -7.750
113 HB3 TRP 19 HB1 TRP 19 12.458 -1.990 -6.766
114 HD1 TRP 19 HD1 TRP 19 12.520 -5.771 -7.239
115 HE1 TRP 19 HE1 TRP 19 14.581 -6.727 -6.045
116 HE3 TRP 19 3HE TRP 19 14.093 -1.563 -4.813
117 HZ2 TRP 19 HZ2 TRP 19 16.612 -5.829 -4.326
118 HZ3 TRP 19 HZ3 TRP 19 16.104 -1.708 -3.411
119 HH2 TRP 19 2HH TRP 19 17.335 -3.789 -3.171
120 HA PRO 20 HA PRO 20 11.669 -4.860 -4.409
121 HB2 PRO 20 HB2 PRO 20 11.946 -5.624 -1.764
122 HB3 PRO 20 HB1 PRO 20 13.253 -5.105 -2.827
123 HG2 PRO 20 HG2 PRO 20 12.271 -3.742 -0.519
124 HG3 PRO 20 HG1 PRO 20 13.483 -3.172 -1.673
125 HD2 PRO 20 HD2 PRO 20 10.588 -2.548 -1.510
126 HD3 PRO 20 HD1 PRO 20 11.927 -1.560 -2.131
127 H LEU 21 HN LEU 21 9.000 -3.425 -3.266
128 HA LEU 21 HA LEU 21 7.713 -5.561 -1.868
129 HB2 LEU 21 HB2 LEU 21 6.703 -2.984 -3.018
130 HB3 LEU 21 HB1 LEU 21 5.625 -4.153 -2.284
131 HG LEU 21 HG LEU 21 7.929 -2.839 -0.834
132 HD11 LEU 21 HD11 LEU 21 6.212 -1.197 -1.462
133 HD12 LEU 21 HD12 LEU 21 6.216 -1.508 0.274
134 HD13 LEU 21 HD13 LEU 21 4.975 -2.231 -0.748
135 HD21 LEU 21 HD21 LEU 21 7.228 -5.037 0.015
136 HD22 LEU 21 HD22 LEU 21 5.579 -4.436 0.135
137 HD23 LEU 21 HD23 LEU 21 6.850 -3.727 1.130
138 H GLY 22 HN GLY 22 7.128 -4.156 -5.077
139 HA2 GLY 22 HA2 GLY 22 6.398 -5.136 -7.001
140 HA3 GLY 22 HA1 GLY 22 6.837 -6.692 -6.310
141 H HIS 23 HN HIS 23 5.162 -7.996 -6.414
142 HA HIS 23 HA HIS 23 2.434 -7.002 -6.448
143 HB2 HIS 23 HB2 HIS 23 3.463 -9.856 -6.537
144 HB3 HIS 23 HB1 HIS 23 1.805 -9.356 -6.822
145 HD1 HIS 23 HD1 HIS 23 4.859 -10.154 -8.587
146 HD2 HIS 23 HD2 HIS 23 1.610 -7.644 -9.217
147 HE1 HIS 23 HE1 HIS 23 4.872 -9.592 -11.044
148 H GLN 24 HN GLN 24 1.613 -6.453 -4.463
149 HA GLN 24 HA GLN 24 1.955 -8.437 -2.330
150 HB2 GLN 24 HB2 GLN 24 1.988 -5.431 -2.022
151 HB3 GLN 24 HB1 GLN 24 1.888 -6.564 -0.685
152 HG2 GLN 24 HG2 GLN 24 4.163 -6.367 -2.644
153 HG3 GLN 24 HG1 GLN 24 4.153 -5.723 -1.004
154 HE21 GLN 24 1HE2 GLN 24 5.853 -7.737 -2.304
155 HE22 GLN 24 2HE2 GLN 24 5.763 -9.135 -1.304
156 H CYS 25 HN CYS 25 0.199 -8.961 -1.183
157 HA CYS 25 HA CYS 25 -2.274 -7.528 -1.763
158 HB2 CYS 25 HB2 CYS 25 -1.866 -10.487 -1.296
159 HB3 CYS 25 HB1 CYS 25 -3.434 -9.692 -1.395
160 H PHE 26 HN PHE 26 -3.782 -7.466 -0.017
161 HA PHE 26 HA PHE 26 -2.409 -7.577 2.564
162 HB2 PHE 26 HB2 PHE 26 -4.800 -5.915 1.751
163 HB3 PHE 26 HB1 PHE 26 -3.970 -5.833 3.300
164 HD1 PHE 26 HD1 PHE 26 -1.473 -5.220 3.248
165 HD2 PHE 26 HD2 PHE 26 -4.133 -4.551 -0.004
166 HE1 PHE 26 HE1 PHE 26 0.075 -3.549 2.331
167 HE2 PHE 26 HE2 PHE 26 -2.591 -2.880 -0.927
168 HZ PHE 26 HZ PHE 26 -0.481 -2.380 0.243
169 HA PRO 27 HA PRO 27 -5.257 -11.115 2.801
170 HB2 PRO 27 HB2 PRO 27 -4.066 -12.272 4.955
171 HB3 PRO 27 HB1 PRO 27 -3.482 -12.461 3.301
172 HG2 PRO 27 HG2 PRO 27 -2.519 -10.617 5.450
173 HG3 PRO 27 HG1 PRO 27 -1.578 -11.590 4.304
174 HD2 PRO 27 HD2 PRO 27 -1.968 -8.969 3.954
175 HD3 PRO 27 HD1 PRO 27 -1.886 -10.088 2.582
176 H ASP 28 HN ASP 28 -4.505 -8.891 5.371
177 HA ASP 28 HA ASP 28 -7.112 -9.584 6.561
178 HB2 ASP 28 HB2 ASP 28 -6.324 -8.842 8.754
179 HB3 ASP 28 HB1 ASP 28 -5.259 -10.088 8.127
180 H1 GLY 1 HN GLY 1 7.565 7.562 2.632
181 HA2 GLY 1 HA2 GLY 1 8.126 5.595 1.577
182 HA3 GLY 1 HA1 GLY 1 9.207 5.221 2.916
183 H PHE 2 HN PHE 2 8.286 3.057 2.654
184 HA PHE 2 HA PHE 2 6.167 2.577 4.494
185 HB2 PHE 2 HB2 PHE 2 4.821 3.195 2.513
186 HB3 PHE 2 HB1 PHE 2 5.713 2.048 1.533
187 HD1 PHE 2 HD1 PHE 2 4.722 0.024 1.104
188 HD2 PHE 2 HD2 PHE 2 3.642 2.126 4.641
189 HE1 PHE 2 HE1 PHE 2 3.044 -1.695 1.602
190 HE2 PHE 2 HE2 PHE 2 1.962 0.407 5.152
191 HZ PHE 2 HZ PHE 2 1.660 -1.510 3.632
192 H CYS 3 HN CYS 3 6.102 0.259 4.958
193 HA CYS 3 HA CYS 3 7.959 -1.364 3.444
194 HB2 CYS 3 HB2 CYS 3 9.219 -0.242 5.359
195 HB3 CYS 3 HB1 CYS 3 8.171 -1.144 6.445
196 H TRP 4 HN TRP 4 7.264 -3.418 3.279
197 HA TRP 4 HA TRP 4 5.270 -4.423 5.124
198 HB2 TRP 4 HB2 TRP 4 3.997 -3.215 3.344
199 HB3 TRP 4 HB1 TRP 4 4.788 -4.209 2.132
200 HD1 TRP 4 HD1 TRP 4 3.896 -6.707 1.828
201 HE1 TRP 4 HE1 TRP 4 1.762 -7.891 2.623
202 HE3 TRP 4 3HE TRP 4 2.321 -3.295 5.294
203 HZ2 TRP 4 HZ2 TRP 4 -0.326 -7.439 4.465
204 HZ3 TRP 4 HZ3 TRP 4 0.240 -3.745 6.523
205 HH2 TRP 4 2HH TRP 4 -1.053 -5.773 6.116
206 H HIS 5 HN HIS 5 5.482 -6.587 5.328
207 HA HIS 5 HA HIS 5 6.397 -8.651 5.261
208 HB2 HIS 5 HB2 HIS 5 4.985 -8.616 3.139
209 HB3 HIS 5 HB1 HIS 5 6.449 -8.239 2.245
210 HD1 HIS 5 HD1 HIS 5 6.827 -10.380 0.926
211 HD2 HIS 5 HD2 HIS 5 6.021 -11.099 4.941
212 HE1 HIS 5 HE1 HIS 5 7.118 -12.853 1.265
213 H HIS 6 HN HIS 6 8.124 -6.545 5.702
214 HA HIS 6 HA HIS 6 10.270 -6.240 6.246
215 HB2 HIS 6 HB2 HIS 6 10.815 -8.841 4.808
216 HB3 HIS 6 HB1 HIS 6 12.075 -7.884 5.567
217 HD1 HIS 6 HD1 HIS 6 12.261 -8.025 8.124
218 HD2 HIS 6 HD2 HIS 6 9.075 -10.149 6.530
219 HE1 HIS 6 HE1 HIS 6 11.351 -9.455 10.009
220 H SER 7 HN SER 7 9.105 -5.979 3.223
221 HA SER 7 HA SER 7 11.639 -5.020 2.140
222 HB2 SER 7 HB2 SER 7 8.984 -5.489 0.799
223 HB3 SER 7 HB1 SER 7 10.506 -5.101 -0.014
224 HG SER 7 HG SER 7 10.988 -7.151 1.548
225 H CYS 8 HN CYS 8 12.040 -2.897 2.263
226 HA CYS 8 HA CYS 8 9.775 -1.141 2.827
227 HB2 CYS 8 HB2 CYS 8 12.702 -0.655 3.394
228 HB3 CYS 8 HB1 CYS 8 11.338 0.294 3.952
229 H VAL 9 HN VAL 9 9.470 0.686 1.630
230 HA VAL 9 HA VAL 9 11.208 1.058 -0.700
231 HB VAL 9 HB VAL 9 9.236 2.142 -1.830
232 HG11 VAL 9 HG11 VAL 9 8.047 0.071 -2.360
233 HG12 VAL 9 HG12 VAL 9 8.816 -0.712 -0.979
234 HG13 VAL 9 3HG1 VAL 9 9.795 -0.158 -2.337
235 HG21 VAL 9 HG21 VAL 9 6.975 1.730 -0.932
236 HG22 VAL 9 HG22 VAL 9 7.935 2.750 0.139
237 HG23 VAL 9 HG23 VAL 9 7.696 1.048 0.526
238 HA PRO 10 HA PRO 10 12.208 5.009 0.905
239 HB2 PRO 10 HB2 PRO 10 12.926 6.347 -1.310
240 HB3 PRO 10 HB1 PRO 10 13.885 5.002 -0.681
241 HG2 PRO 10 HG2 PRO 10 11.900 5.031 -2.923
242 HG3 PRO 10 HG1 PRO 10 13.492 4.258 -2.854
243 HD2 PRO 10 HD2 PRO 10 11.167 2.906 -2.458
244 HD3 PRO 10 HD1 PRO 10 12.698 2.442 -1.690
245 H SER 11 HN SER 11 11.736 7.313 0.812
246 HA SER 11 HA SER 11 9.008 7.925 0.604
247 HB2 SER 11 HB2 SER 11 11.430 9.735 0.759
248 HB3 SER 11 HB1 SER 11 9.766 10.189 1.127
249 HG SER 11 HG SER 11 10.161 9.579 3.017
250 H GLY 12 HN GLY 12 7.894 8.736 -1.118
251 HA2 GLY 12 HA2 GLY 12 7.935 10.058 -3.167
252 HA3 GLY 12 HA1 GLY 12 9.487 9.311 -3.525
253 H THR 13 HN THR 13 8.104 6.834 -2.242
254 HA THR 13 HA THR 13 7.279 5.693 -4.707
255 HB THR 13 HB THR 13 7.068 4.632 -1.876
256 HG1 THR 13 HG1 THR 13 9.165 4.710 -2.223
257 HG21 THR 13 HG21 THR 13 6.906 2.409 -2.977
258 HG22 THR 13 HG22 THR 13 6.835 3.225 -4.543
259 HG23 THR 13 HG23 THR 13 5.541 3.455 -3.372
260 H CYS 14 HN CYS 14 5.315 5.788 -5.546
261 HA CYS 14 HA CYS 14 3.058 6.399 -3.788
262 HB2 CYS 14 HB2 CYS 14 3.413 7.022 -6.736
263 HB3 CYS 14 HB1 CYS 14 1.944 7.312 -5.812
264 H ALA 15 HN ALA 15 1.057 5.301 -4.327
265 HA ALA 15 HA ALA 15 1.330 3.036 -6.102
266 HB1 ALA 15 HB1 ALA 15 0.520 1.460 -4.411
267 HB2 ALA 15 HB2 ALA 15 0.564 2.736 -3.196
268 HB3 ALA 15 HB3 ALA 15 2.062 2.167 -3.930
269 H ASP 16 HN ASP 16 -0.616 2.344 -6.880
270 HA ASP 16 HA ASP 16 -2.807 4.223 -6.430
271 HB2 ASP 16 HB2 ASP 16 -2.396 2.233 -8.678
272 HB3 ASP 16 HB1 ASP 16 -3.719 3.383 -8.552
273 H PHE 17 HN PHE 17 -4.123 3.508 -4.892
274 HA PHE 17 HA PHE 17 -4.595 0.647 -4.718
275 HB2 PHE 17 HB2 PHE 17 -5.140 2.884 -2.775
276 HB3 PHE 17 HB1 PHE 17 -5.588 1.206 -2.503
277 HD1 PHE 17 HD1 PHE 17 -2.926 3.670 -2.479
278 HD2 PHE 17 HD2 PHE 17 -3.856 -0.458 -2.075
279 HE1 PHE 17 HE1 PHE 17 -0.758 3.292 -1.388
280 HE2 PHE 17 HE2 PHE 17 -1.694 -0.845 -0.994
281 HZ PHE 17 HZ PHE 17 -0.140 1.026 -0.643
282 HA PRO 18 HA PRO 18 -8.804 1.200 -6.147
283 HB2 PRO 18 HB2 PRO 18 -9.597 -0.727 -4.039
284 HB3 PRO 18 HB1 PRO 18 -9.809 -0.846 -5.786
285 HG2 PRO 18 HG2 PRO 18 -8.012 -2.357 -4.555
286 HG3 PRO 18 HG1 PRO 18 -7.643 -1.618 -6.125
287 HD2 PRO 18 HD2 PRO 18 -6.816 -0.729 -3.385
288 HD3 PRO 18 HD1 PRO 18 -5.846 -0.864 -4.868
289 H TRP 19 HN TRP 19 -11.010 1.637 -5.227
290 HA TRP 19 HA TRP 19 -10.941 3.698 -3.285
291 HB2 TRP 19 HB2 TRP 19 -12.582 3.528 -5.184
292 HB3 TRP 19 HB1 TRP 19 -13.306 2.134 -4.399
293 HD1 TRP 19 HD1 TRP 19 -13.089 5.933 -4.173
294 HE1 TRP 19 HE1 TRP 19 -14.910 6.770 -2.566
295 HE3 TRP 19 3HE TRP 19 -14.747 1.442 -2.405
296 HZ2 TRP 19 HZ2 TRP 19 -16.798 5.678 -0.797
297 HZ3 TRP 19 HZ3 TRP 19 -16.553 1.425 -0.764
298 HH2 TRP 19 2HH TRP 19 -17.568 3.504 0.023
299 HA PRO 20 HA PRO 20 -12.070 4.547 -1.689
300 HB2 PRO 20 HB2 PRO 20 -12.335 5.111 0.894
301 HB3 PRO 20 HB1 PRO 20 -13.642 4.350 -0.020
302 HG2 PRO 20 HG2 PRO 20 -11.791 3.163 1.974
303 HG3 PRO 20 HG1 PRO 20 -13.462 2.725 1.591
304 HD2 PRO 20 HD2 PRO 20 -11.081 1.470 0.654
305 HD3 PRO 20 HD1 PRO 20 -12.746 1.118 0.156
306 H LEU 21 HN LEU 21 -9.479 2.773 -0.994
307 HA LEU 21 HA LEU 21 -7.892 4.264 0.836
308 HB2 LEU 21 HB2 LEU 21 -7.661 1.852 -0.302
309 HB3 LEU 21 HB1 LEU 21 -6.694 2.746 -1.438
310 HG LEU 21 HG LEU 21 -5.212 1.704 0.073
311 HD11 LEU 21 HD11 LEU 21 -5.398 4.566 0.916
312 HD12 LEU 21 HD12 LEU 21 -4.535 3.928 -0.482
313 HD13 LEU 21 HD13 LEU 21 -4.014 3.494 1.145
314 HD21 LEU 21 HD21 LEU 21 -6.821 2.866 2.325
315 HD22 LEU 21 HD22 LEU 21 -5.306 1.982 2.497
316 HD23 LEU 21 HD23 LEU 21 -6.731 1.170 1.852
317 H GLY 22 HN GLY 22 -7.894 4.054 -2.707
318 HA2 GLY 22 HA2 GLY 22 -7.893 5.863 -4.186
319 HA3 GLY 22 HA1 GLY 22 -7.406 6.908 -2.861
320 H HIS 23 HN HIS 23 -5.978 7.693 -4.541
321 HA HIS 23 HA HIS 23 -3.675 5.997 -5.133
322 HB2 HIS 23 HB2 HIS 23 -4.304 8.825 -6.067
323 HB3 HIS 23 HB1 HIS 23 -2.997 7.810 -6.665
324 HD1 HIS 23 HD1 HIS 23 -3.615 6.024 -8.461
325 HD2 HIS 23 HD2 HIS 23 -6.884 8.119 -6.969
326 HE1 HIS 23 HE1 HIS 23 -5.577 5.385 -9.898
327 H GLN 24 HN GLN 24 -2.045 6.021 -3.701
328 HA GLN 24 HA GLN 24 -1.824 8.405 -1.996
329 HB2 GLN 24 HB2 GLN 24 -1.459 5.518 -1.210
330 HB3 GLN 24 HB1 GLN 24 -1.103 6.892 -0.174
331 HG2 GLN 24 HG2 GLN 24 -3.813 6.200 -1.297
332 HG3 GLN 24 HG1 GLN 24 -3.265 5.876 0.348
333 HE21 GLN 24 1HE2 GLN 24 -5.509 7.493 -0.586
334 HE22 GLN 24 2HE2 GLN 24 -5.231 9.083 0.034
335 H CYS 25 HN CYS 25 0.204 8.980 -1.257
336 HA CYS 25 HA CYS 25 2.473 7.631 -2.460
337 HB2 CYS 25 HB2 CYS 25 2.019 10.606 -2.132
338 HB3 CYS 25 HB1 CYS 25 3.572 9.887 -2.539
339 H PHE 26 HN PHE 26 4.240 7.420 -1.136
340 HA PHE 26 HA PHE 26 3.578 7.761 1.684
341 HB2 PHE 26 HB2 PHE 26 5.612 5.954 0.372
342 HB3 PHE 26 HB1 PHE 26 5.224 5.991 2.087
343 HD1 PHE 26 HD1 PHE 26 2.826 5.426 2.763
344 HD2 PHE 26 HD2 PHE 26 4.421 4.578 -1.087
345 HE1 PHE 26 HE1 PHE 26 1.056 3.762 2.400
346 HE2 PHE 26 HE2 PHE 26 2.653 2.914 -1.459
347 HZ PHE 26 HZ PHE 26 0.964 2.505 0.291
348 HA PRO 27 HA PRO 27 6.666 11.035 1.312
349 HB2 PRO 27 HB2 PRO 27 6.061 12.293 3.639
350 HB3 PRO 27 HB1 PRO 27 5.115 12.489 2.162
351 HG2 PRO 27 HG2 PRO 27 4.562 10.782 4.547
352 HG3 PRO 27 HG1 PRO 27 3.437 11.751 3.581
353 HD2 PRO 27 HD2 PRO 27 3.719 9.053 3.328
354 HD3 PRO 27 HD1 PRO 27 3.202 10.109 1.998
355 H ASP 28 HN ASP 28 6.256 8.795 3.933
356 HA ASP 28 HA ASP 28 9.071 9.223 4.673
357 HB2 ASP 28 HB2 ASP 28 8.590 8.435 6.901
358 HB3 ASP 28 HB1 ASP 28 7.411 9.675 6.515
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 -6.685 -7.718 4.188
2 HA2 GLY 1 HA2 GLY 1 -7.712 -5.855 3.142
3 HA3 GLY 1 HA1 GLY 1 -8.389 -5.394 4.709
4 H PHE 2 HN PHE 2 -7.314 -3.319 3.803
5 HA PHE 2 HA PHE 2 -4.799 -3.127 5.234
6 HB2 PHE 2 HB2 PHE 2 -4.080 -3.640 2.937
7 HB3 PHE 2 HB1 PHE 2 -5.031 -2.297 2.329
8 HD1 PHE 2 HD1 PHE 2 -3.865 -0.397 1.798
9 HD2 PHE 2 HD2 PHE 2 -2.374 -2.896 4.896
10 HE1 PHE 2 HE1 PHE 2 -1.928 1.092 2.057
11 HE2 PHE 2 HE2 PHE 2 -0.431 -1.412 5.159
12 HZ PHE 2 HZ PHE 2 -0.207 0.583 3.739
13 H CYS 3 HN CYS 3 -4.627 -1.277 6.287
14 HA CYS 3 HA CYS 3 -6.535 0.839 5.657
15 HB2 CYS 3 HB2 CYS 3 -5.637 -0.143 8.371
16 HB3 CYS 3 HB1 CYS 3 -6.582 1.313 8.099
17 H TRP 4 HN TRP 4 -5.641 2.696 5.276
18 HA TRP 4 HA TRP 4 -3.231 3.506 6.618
19 HB2 TRP 4 HB2 TRP 4 -2.466 2.270 4.579
20 HB3 TRP 4 HB1 TRP 4 -3.379 3.389 3.586
21 HD1 TRP 4 HD1 TRP 4 -2.264 5.768 3.142
22 HE1 TRP 4 HE1 TRP 4 0.059 6.717 3.571
23 HE3 TRP 4 3HE TRP 4 -0.518 2.162 6.293
24 HZ2 TRP 4 HZ2 TRP 4 2.365 6.038 5.071
25 HZ3 TRP 4 HZ3 TRP 4 1.772 2.387 7.184
26 HH2 TRP 4 2HH TRP 4 3.171 4.278 6.586
27 H HIS 5 HN HIS 5 -3.695 5.453 7.285
28 HA HIS 5 HA HIS 5 -4.621 7.449 7.595
29 HB2 HIS 5 HB2 HIS 5 -4.404 7.598 4.579
30 HB3 HIS 5 HB1 HIS 5 -4.911 8.961 5.573
31 HD1 HIS 5 HD1 HIS 5 -2.158 8.673 3.808
32 HD2 HIS 5 HD2 HIS 5 -2.617 8.461 7.932
33 HE1 HIS 5 HE1 HIS 5 0.086 9.225 4.792
34 H HIS 6 HN HIS 6 -6.297 5.628 8.007
35 HA HIS 6 HA HIS 6 -8.434 5.232 8.506
36 HB2 HIS 6 HB2 HIS 6 -8.869 8.047 7.505
37 HB3 HIS 6 HB1 HIS 6 -10.126 7.082 8.273
38 HD1 HIS 6 HD1 HIS 6 -9.876 6.689 10.849
39 HD2 HIS 6 HD2 HIS 6 -6.941 9.086 9.167
40 HE1 HIS 6 HE1 HIS 6 -8.692 7.804 12.781
41 H SER 7 HN SER 7 -7.360 4.933 5.644
42 HA SER 7 HA SER 7 -9.971 4.468 4.420
43 HB2 SER 7 HB2 SER 7 -7.263 4.726 3.140
44 HB3 SER 7 HB1 SER 7 -8.821 4.670 2.298
45 HG SER 7 HG SER 7 -8.090 6.638 4.194
46 H CYS 8 HN CYS 8 -10.512 2.365 4.486
47 HA CYS 8 HA CYS 8 -8.360 0.380 4.572
48 HB2 CYS 8 HB2 CYS 8 -11.107 0.261 5.814
49 HB3 CYS 8 HB1 CYS 8 -9.931 -1.047 5.824
50 H VAL 9 HN VAL 9 -8.250 -0.838 2.871
51 HA VAL 9 HA VAL 9 -10.569 -1.106 1.139
52 HB VAL 9 HB VAL 9 -9.014 -2.360 -0.426
53 HG11 VAL 9 HG11 VAL 9 -8.223 0.437 0.353
54 HG12 VAL 9 HG12 VAL 9 -9.501 -0.019 -0.774
55 HG13 VAL 9 3HG1 VAL 9 -7.815 -0.351 -1.170
56 HG21 VAL 9 HG21 VAL 9 -6.907 -1.430 1.529
57 HG22 VAL 9 HG22 VAL 9 -6.590 -2.154 -0.049
58 HG23 VAL 9 HG23 VAL 9 -7.364 -3.105 1.221
59 HA PRO 10 HA PRO 10 -12.016 -4.969 2.541
60 HB2 PRO 10 HB2 PRO 10 -11.975 -5.995 -0.245
61 HB3 PRO 10 HB1 PRO 10 -13.322 -5.878 0.886
62 HG2 PRO 10 HG2 PRO 10 -13.143 -4.184 -1.140
63 HG3 PRO 10 HG1 PRO 10 -13.660 -3.620 0.459
64 HD2 PRO 10 HD2 PRO 10 -10.999 -3.346 -0.876
65 HD3 PRO 10 HD1 PRO 10 -11.914 -2.158 0.077
66 H SER 11 HN SER 11 -11.588 -7.155 2.877
67 HA SER 11 HA SER 11 -8.893 -7.957 2.975
68 HB2 SER 11 HB2 SER 11 -11.411 -9.621 3.207
69 HB3 SER 11 HB1 SER 11 -9.826 -9.989 3.889
70 HG SER 11 HG SER 11 -10.653 -9.044 5.576
71 H GLY 12 HN GLY 12 -7.704 -8.786 1.341
72 HA2 GLY 12 HA2 GLY 12 -7.516 -10.589 -0.260
73 HA3 GLY 12 HA1 GLY 12 -9.148 -10.211 -0.790
74 H THR 13 HN THR 13 -7.995 -7.273 -0.318
75 HA THR 13 HA THR 13 -7.627 -6.676 -3.049
76 HB THR 13 HB THR 13 -6.791 -5.016 -0.649
77 HG1 THR 13 HG1 THR 13 -8.904 -5.198 -0.326
78 HG21 THR 13 HG21 THR 13 -7.127 -3.103 -2.161
79 HG22 THR 13 HG22 THR 13 -7.515 -4.212 -3.476
80 HG23 THR 13 HG23 THR 13 -5.892 -4.196 -2.789
81 H CYS 14 HN CYS 14 -5.818 -6.787 -4.306
82 HA CYS 14 HA CYS 14 -3.223 -7.078 -2.988
83 HB2 CYS 14 HB2 CYS 14 -4.041 -7.927 -5.772
84 HB3 CYS 14 HB1 CYS 14 -2.483 -8.207 -5.007
85 H ALA 15 HN ALA 15 -1.683 -5.670 -3.424
86 HA ALA 15 HA ALA 15 -2.347 -3.590 -5.370
87 HB1 ALA 15 HB1 ALA 15 -1.266 -1.963 -3.914
88 HB2 ALA 15 HB2 ALA 15 -0.933 -3.230 -2.735
89 HB3 ALA 15 HB3 ALA 15 -2.599 -2.765 -3.082
90 H ASP 16 HN ASP 16 -0.857 -3.071 -6.752
91 HA ASP 16 HA ASP 16 1.601 -4.593 -6.860
92 HB2 ASP 16 HB2 ASP 16 0.331 -4.429 -8.905
93 HB3 ASP 16 HB1 ASP 16 0.254 -2.681 -8.774
94 H PHE 17 HN PHE 17 3.196 -3.828 -5.671
95 HA PHE 17 HA PHE 17 3.673 -0.942 -5.548
96 HB2 PHE 17 HB2 PHE 17 4.672 -3.229 -3.846
97 HB3 PHE 17 HB1 PHE 17 5.246 -1.581 -3.696
98 HD1 PHE 17 HD1 PHE 17 3.814 0.132 -2.749
99 HD2 PHE 17 HD2 PHE 17 2.573 -3.925 -2.988
100 HE1 PHE 17 HE1 PHE 17 2.076 0.577 -1.085
101 HE2 PHE 17 HE2 PHE 17 0.820 -3.493 -1.331
102 HZ PHE 17 HZ PHE 17 0.567 -1.236 -0.368
103 HA PRO 18 HA PRO 18 7.509 -1.662 -7.839
104 HB2 PRO 18 HB2 PRO 18 8.803 0.269 -6.005
105 HB3 PRO 18 HB1 PRO 18 8.599 0.375 -7.754
106 HG2 PRO 18 HG2 PRO 18 7.205 1.946 -6.121
107 HG3 PRO 18 HG1 PRO 18 6.469 1.269 -7.587
108 HD2 PRO 18 HD2 PRO 18 6.212 0.356 -4.745
109 HD3 PRO 18 HD1 PRO 18 4.950 0.555 -5.983
110 H TRP 19 HN TRP 19 9.848 -2.210 -7.305
111 HA TRP 19 HA TRP 19 10.115 -4.236 -5.387
112 HB2 TRP 19 HB2 TRP 19 11.565 -3.961 -7.397
113 HB3 TRP 19 HB1 TRP 19 12.236 -2.495 -6.709
114 HD1 TRP 19 HD1 TRP 19 12.453 -6.308 -6.468
115 HE1 TRP 19 HE1 TRP 19 14.559 -6.930 -5.148
116 HE3 TRP 19 3HE TRP 19 13.777 -1.676 -4.833
117 HZ2 TRP 19 HZ2 TRP 19 16.521 -5.637 -3.608
118 HZ3 TRP 19 HZ3 TRP 19 15.776 -1.444 -3.442
119 HH2 TRP 19 2HH TRP 19 17.126 -3.380 -2.838
120 HA PRO 20 HA PRO 20 11.580 -5.024 -3.989
121 HB2 PRO 20 HB2 PRO 20 11.909 -5.473 -1.236
122 HB3 PRO 20 HB1 PRO 20 13.178 -5.154 -2.415
123 HG2 PRO 20 HG2 PRO 20 12.430 -3.456 -0.296
124 HG3 PRO 20 HG1 PRO 20 13.452 -3.029 -1.673
125 HD2 PRO 20 HD2 PRO 20 10.535 -2.540 -1.263
126 HD3 PRO 20 HD1 PRO 20 11.754 -1.513 -2.048
127 H LEU 21 HN LEU 21 8.771 -3.727 -3.256
128 HA LEU 21 HA LEU 21 7.693 -5.882 -1.627
129 HB2 LEU 21 HB2 LEU 21 6.514 -3.304 -2.578
130 HB3 LEU 21 HB1 LEU 21 5.462 -4.595 -2.053
131 HG LEU 21 HG LEU 21 5.713 -3.061 -0.270
132 HD11 LEU 21 HD11 LEU 21 5.605 -5.360 0.383
133 HD12 LEU 21 HD12 LEU 21 6.637 -4.454 1.489
134 HD13 LEU 21 HD13 LEU 21 7.359 -5.506 0.288
135 HD21 LEU 21 HD21 LEU 21 7.878 -2.507 0.741
136 HD22 LEU 21 HD22 LEU 21 7.747 -1.971 -0.936
137 HD23 LEU 21 HD23 LEU 21 8.691 -3.411 -0.543
138 H GLY 22 HN GLY 22 6.879 -4.487 -4.783
139 HA2 GLY 22 HA2 GLY 22 6.169 -5.614 -6.678
140 HA3 GLY 22 HA1 GLY 22 6.374 -7.131 -5.798
141 H HIS 23 HN HIS 23 4.402 -8.014 -6.297
142 HA HIS 23 HA HIS 23 2.043 -6.462 -5.708
143 HB2 HIS 23 HB2 HIS 23 0.771 -8.473 -6.533
144 HB3 HIS 23 HB1 HIS 23 1.834 -7.743 -7.723
145 HD1 HIS 23 HD1 HIS 23 3.755 -9.235 -8.619
146 HD2 HIS 23 HD2 HIS 23 1.435 -11.035 -5.686
147 HE1 HIS 23 HE1 HIS 23 4.393 -11.685 -8.620
148 H GLN 24 HN GLN 24 1.244 -6.336 -3.823
149 HA GLN 24 HA GLN 24 1.677 -8.550 -1.947
150 HB2 GLN 24 HB2 GLN 24 1.475 -5.603 -1.391
151 HB3 GLN 24 HB1 GLN 24 1.501 -6.838 -0.147
152 HG2 GLN 24 HG2 GLN 24 3.713 -6.314 -2.126
153 HG3 GLN 24 HG1 GLN 24 3.689 -5.789 -0.441
154 HE21 GLN 24 1HE2 GLN 24 3.906 -7.332 1.174
155 HE22 GLN 24 2HE2 GLN 24 4.515 -8.919 0.875
156 H CYS 25 HN CYS 25 -0.072 -9.568 -1.442
157 HA CYS 25 HA CYS 25 -2.667 -8.289 -1.733
158 HB2 CYS 25 HB2 CYS 25 -1.918 -11.172 -1.245
159 HB3 CYS 25 HB1 CYS 25 -3.571 -10.581 -1.390
160 H PHE 26 HN PHE 26 -3.939 -7.770 -0.115
161 HA PHE 26 HA PHE 26 -2.832 -8.130 2.566
162 HB2 PHE 26 HB2 PHE 26 -4.896 -6.152 1.580
163 HB3 PHE 26 HB1 PHE 26 -4.194 -6.197 3.192
164 HD1 PHE 26 HD1 PHE 26 -1.646 -5.898 3.356
165 HD2 PHE 26 HD2 PHE 26 -3.923 -4.862 -0.084
166 HE1 PHE 26 HE1 PHE 26 0.155 -4.401 2.617
167 HE2 PHE 26 HE2 PHE 26 -2.125 -3.365 -0.827
168 HZ PHE 26 HZ PHE 26 -0.078 -3.134 0.530
169 HA PRO 27 HA PRO 27 -6.177 -11.159 2.564
170 HB2 PRO 27 HB2 PRO 27 -5.419 -12.410 4.871
171 HB3 PRO 27 HB1 PRO 27 -4.707 -12.749 3.292
172 HG2 PRO 27 HG2 PRO 27 -3.672 -11.056 5.520
173 HG3 PRO 27 HG1 PRO 27 -2.788 -12.141 4.432
174 HD2 PRO 27 HD2 PRO 27 -2.826 -9.446 4.153
175 HD3 PRO 27 HD1 PRO 27 -2.645 -10.555 2.779
176 H ASP 28 HN ASP 28 -5.362 -9.150 5.356
177 HA ASP 28 HA ASP 28 -8.084 -9.545 6.371
178 HB2 ASP 28 HB2 ASP 28 -6.177 -9.772 7.959
179 HB3 ASP 28 HB1 ASP 28 -5.737 -8.099 7.642
180 H1 GLY 1 HN GLY 1 7.709 7.445 2.462
181 HA2 GLY 1 HA2 GLY 1 8.513 5.537 1.366
182 HA3 GLY 1 HA1 GLY 1 9.638 5.273 2.697
183 H PHE 2 HN PHE 2 8.277 3.144 1.940
184 HA PHE 2 HA PHE 2 6.302 2.815 4.075
185 HB2 PHE 2 HB2 PHE 2 5.034 3.201 2.019
186 HB3 PHE 2 HB1 PHE 2 5.935 1.943 1.198
187 HD1 PHE 2 HD1 PHE 2 4.999 -0.158 1.046
188 HD2 PHE 2 HD2 PHE 2 3.741 2.439 4.173
189 HE1 PHE 2 HE1 PHE 2 3.283 -1.787 1.704
190 HE2 PHE 2 HE2 PHE 2 2.025 0.809 4.839
191 HZ PHE 2 HZ PHE 2 1.794 -1.306 3.602
192 H CYS 3 HN CYS 3 6.658 1.054 5.212
193 HA CYS 3 HA CYS 3 8.514 -0.929 4.132
194 HB2 CYS 3 HB2 CYS 3 8.186 0.051 6.969
195 HB3 CYS 3 HB1 CYS 3 9.172 -1.328 6.496
196 H TRP 4 HN TRP 4 7.675 -2.823 3.866
197 HA TRP 4 HA TRP 4 5.703 -3.876 5.704
198 HB2 TRP 4 HB2 TRP 4 4.408 -2.677 3.938
199 HB3 TRP 4 HB1 TRP 4 5.200 -3.641 2.712
200 HD1 TRP 4 HD1 TRP 4 4.437 -6.267 2.584
201 HE1 TRP 4 HE1 TRP 4 2.226 -7.406 3.304
202 HE3 TRP 4 3HE TRP 4 2.567 -2.610 5.621
203 HZ2 TRP 4 HZ2 TRP 4 0.015 -6.832 4.924
204 HZ3 TRP 4 HZ3 TRP 4 0.396 -2.982 6.712
205 HH2 TRP 4 2HH TRP 4 -0.852 -5.050 6.367
206 H HIS 5 HN HIS 5 6.158 -6.003 5.986
207 HA HIS 5 HA HIS 5 7.023 -8.081 5.759
208 HB2 HIS 5 HB2 HIS 5 5.702 -7.974 3.586
209 HB3 HIS 5 HB1 HIS 5 7.184 -7.490 2.778
210 HD1 HIS 5 HD1 HIS 5 8.135 -9.440 1.541
211 HD2 HIS 5 HD2 HIS 5 6.307 -10.584 5.091
212 HE1 HIS 5 HE1 HIS 5 8.355 -11.942 1.662
213 H HIS 6 HN HIS 6 8.648 -5.718 6.128
214 HA HIS 6 HA HIS 6 10.733 -5.151 6.620
215 HB2 HIS 6 HB2 HIS 6 11.485 -7.943 5.716
216 HB3 HIS 6 HB1 HIS 6 12.647 -6.794 6.367
217 HD1 HIS 6 HD1 HIS 6 12.612 -6.414 8.945
218 HD2 HIS 6 HD2 HIS 6 9.681 -9.021 7.569
219 HE1 HIS 6 HE1 HIS 6 11.664 -7.532 10.983
220 H SER 7 HN SER 7 9.546 -5.143 3.785
221 HA SER 7 HA SER 7 11.996 -4.260 2.451
222 HB2 SER 7 HB2 SER 7 9.299 -5.044 1.328
223 HB3 SER 7 HB1 SER 7 10.689 -4.532 0.370
224 HG SER 7 HG SER 7 11.750 -6.325 1.654
225 H CYS 8 HN CYS 8 12.164 -2.106 1.903
226 HA CYS 8 HA CYS 8 9.821 -0.436 2.483
227 HB2 CYS 8 HB2 CYS 8 12.715 0.228 3.005
228 HB3 CYS 8 HB1 CYS 8 11.331 1.266 3.323
229 H VAL 9 HN VAL 9 9.201 0.835 0.907
230 HA VAL 9 HA VAL 9 10.966 1.263 -1.375
231 HB VAL 9 HB VAL 9 8.976 2.409 -2.452
232 HG11 VAL 9 HG11 VAL 9 8.632 -0.414 -1.520
233 HG12 VAL 9 HG12 VAL 9 9.432 0.124 -2.999
234 HG13 VAL 9 3HG1 VAL 9 7.685 0.315 -2.815
235 HG21 VAL 9 HG21 VAL 9 6.753 2.074 -1.463
236 HG22 VAL 9 HG22 VAL 9 7.780 3.055 -0.413
237 HG23 VAL 9 HG23 VAL 9 7.507 1.352 -0.041
238 HA PRO 10 HA PRO 10 12.431 5.140 -0.029
239 HB2 PRO 10 HB2 PRO 10 12.630 6.452 -2.438
240 HB3 PRO 10 HB1 PRO 10 13.805 5.276 -1.845
241 HG2 PRO 10 HG2 PRO 10 11.545 4.905 -3.763
242 HG3 PRO 10 HG1 PRO 10 13.195 4.257 -3.836
243 HD2 PRO 10 HD2 PRO 10 11.137 2.748 -3.060
244 HD3 PRO 10 HD1 PRO 10 12.735 2.587 -2.300
245 H SER 11 HN SER 11 11.947 7.274 0.270
246 HA SER 11 HA SER 11 9.301 8.083 0.507
247 HB2 SER 11 HB2 SER 11 11.770 9.825 0.303
248 HB3 SER 11 HB1 SER 11 10.230 10.260 1.039
249 HG SER 11 HG SER 11 12.070 8.288 1.927
250 H GLY 12 HN GLY 12 7.924 8.889 -0.950
251 HA2 GLY 12 HA2 GLY 12 7.479 10.500 -2.700
252 HA3 GLY 12 HA1 GLY 12 9.030 10.068 -3.410
253 H THR 13 HN THR 13 7.909 7.225 -2.420
254 HA THR 13 HA THR 13 7.004 6.467 -5.021
255 HB THR 13 HB THR 13 6.997 4.915 -2.416
256 HG1 THR 13 HG1 THR 13 9.072 5.180 -2.777
257 HG21 THR 13 HG21 THR 13 6.817 3.965 -5.285
258 HG22 THR 13 HG22 THR 13 5.507 3.928 -4.107
259 HG23 THR 13 HG23 THR 13 6.937 2.921 -3.869
260 H CYS 14 HN CYS 14 4.975 6.718 -5.737
261 HA CYS 14 HA CYS 14 2.810 6.814 -3.779
262 HB2 CYS 14 HB2 CYS 14 2.748 7.883 -6.615
263 HB3 CYS 14 HB1 CYS 14 1.586 8.178 -5.340
264 H ALA 15 HN ALA 15 0.874 5.613 -4.353
265 HA ALA 15 HA ALA 15 1.121 3.812 -6.616
266 HB1 ALA 15 HB1 ALA 15 2.127 2.599 -4.740
267 HB2 ALA 15 HB2 ALA 15 0.611 1.847 -5.244
268 HB3 ALA 15 HB3 ALA 15 0.663 2.847 -3.792
269 H ASP 16 HN ASP 16 -0.809 3.139 -7.406
270 HA ASP 16 HA ASP 16 -3.162 4.609 -6.557
271 HB2 ASP 16 HB2 ASP 16 -2.773 4.684 -8.907
272 HB3 ASP 16 HB1 ASP 16 -2.502 2.950 -8.988
273 H PHE 17 HN PHE 17 -4.242 3.713 -4.978
274 HA PHE 17 HA PHE 17 -4.626 0.813 -4.907
275 HB2 PHE 17 HB2 PHE 17 -5.067 2.986 -2.860
276 HB3 PHE 17 HB1 PHE 17 -5.532 1.315 -2.617
277 HD1 PHE 17 HD1 PHE 17 -3.949 -0.302 -1.991
278 HD2 PHE 17 HD2 PHE 17 -2.710 3.635 -2.954
279 HE1 PHE 17 HE1 PHE 17 -1.741 -0.765 -1.005
280 HE2 PHE 17 HE2 PHE 17 -0.497 3.189 -1.974
281 HZ PHE 17 HZ PHE 17 -0.016 0.987 -0.998
282 HA PRO 18 HA PRO 18 -8.941 1.444 -5.902
283 HB2 PRO 18 HB2 PRO 18 -9.834 -0.399 -3.818
284 HB3 PRO 18 HB1 PRO 18 -9.910 -0.595 -5.569
285 HG2 PRO 18 HG2 PRO 18 -8.253 -2.043 -3.992
286 HG3 PRO 18 HG1 PRO 18 -7.874 -1.627 -5.671
287 HD2 PRO 18 HD2 PRO 18 -6.875 -0.401 -3.137
288 HD3 PRO 18 HD1 PRO 18 -6.008 -0.723 -4.651
289 H TRP 19 HN TRP 19 -11.074 1.974 -4.823
290 HA TRP 19 HA TRP 19 -10.764 4.065 -2.956
291 HB2 TRP 19 HB2 TRP 19 -12.626 3.755 -4.705
292 HB3 TRP 19 HB1 TRP 19 -13.312 2.552 -3.628
293 HD1 TRP 19 HD1 TRP 19 -12.676 6.322 -3.871
294 HE1 TRP 19 HE1 TRP 19 -14.248 7.521 -2.233
295 HE3 TRP 19 3HE TRP 19 -14.691 2.246 -1.543
296 HZ2 TRP 19 HZ2 TRP 19 -16.087 6.845 -0.235
297 HZ3 TRP 19 HZ3 TRP 19 -16.355 2.613 0.221
298 HH2 TRP 19 2HH TRP 19 -17.041 4.865 0.865
299 HA PRO 20 HA PRO 20 -11.630 4.999 -1.293
300 HB2 PRO 20 HB2 PRO 20 -11.501 5.598 1.321
301 HB3 PRO 20 HB1 PRO 20 -12.976 5.017 0.544
302 HG2 PRO 20 HG2 PRO 20 -11.221 3.647 2.451
303 HG3 PRO 20 HG1 PRO 20 -12.881 3.259 1.981
304 HD2 PRO 20 HD2 PRO 20 -10.391 2.088 1.036
305 HD3 PRO 20 HD1 PRO 20 -12.055 1.565 0.717
306 H LEU 21 HN LEU 21 -8.994 3.220 -1.006
307 HA LEU 21 HA LEU 21 -7.269 5.038 0.381
308 HB2 LEU 21 HB2 LEU 21 -6.779 2.567 -1.233
309 HB3 LEU 21 HB1 LEU 21 -5.442 3.620 -0.820
310 HG LEU 21 HG LEU 21 -7.241 2.364 1.264
311 HD11 LEU 21 HD11 LEU 21 -5.485 0.777 1.613
312 HD12 LEU 21 HD12 LEU 21 -4.532 1.472 0.299
313 HD13 LEU 21 HD13 LEU 21 -6.052 0.638 -0.053
314 HD21 LEU 21 HD21 LEU 21 -4.471 3.492 1.454
315 HD22 LEU 21 HD22 LEU 21 -5.532 3.018 2.787
316 HD23 LEU 21 HD23 LEU 21 -5.910 4.431 1.796
317 H GLY 22 HN GLY 22 -7.467 4.095 -3.046
318 HA2 GLY 22 HA2 GLY 22 -7.253 5.433 -4.908
319 HA3 GLY 22 HA1 GLY 22 -7.233 6.837 -3.847
320 H HIS 23 HN HIS 23 -5.525 7.768 -5.055
321 HA HIS 23 HA HIS 23 -3.004 6.396 -5.233
322 HB2 HIS 23 HB2 HIS 23 -3.654 9.324 -5.690
323 HB3 HIS 23 HB1 HIS 23 -2.072 8.612 -5.940
324 HD1 HIS 23 HD1 HIS 23 -1.777 7.123 -8.125
325 HD2 HIS 23 HD2 HIS 23 -5.511 8.890 -7.636
326 HE1 HIS 23 HE1 HIS 23 -2.917 6.958 -10.347
327 H GLN 24 HN GLN 24 -2.136 5.925 -3.398
328 HA GLN 24 HA GLN 24 -1.949 7.971 -1.299
329 HB2 GLN 24 HB2 GLN 24 -1.449 4.987 -1.199
330 HB3 GLN 24 HB1 GLN 24 -1.282 6.085 0.164
331 HG2 GLN 24 HG2 GLN 24 -3.837 5.585 -1.339
332 HG3 GLN 24 HG1 GLN 24 -3.387 4.818 0.185
333 HE21 GLN 24 1HE2 GLN 24 -3.466 5.990 2.035
334 HE22 GLN 24 2HE2 GLN 24 -4.213 7.545 2.147
335 H CYS 25 HN CYS 25 0.079 8.701 -0.707
336 HA CYS 25 HA CYS 25 2.248 7.452 -2.166
337 HB2 CYS 25 HB2 CYS 25 1.460 9.634 -3.204
338 HB3 CYS 25 HB1 CYS 25 2.053 10.431 -1.749
339 H PHE 26 HN PHE 26 4.199 7.390 -1.153
340 HA PHE 26 HA PHE 26 3.916 7.708 1.741
341 HB2 PHE 26 HB2 PHE 26 5.739 5.853 0.203
342 HB3 PHE 26 HB1 PHE 26 5.482 5.846 1.942
343 HD1 PHE 26 HD1 PHE 26 3.039 5.441 2.738
344 HD2 PHE 26 HD2 PHE 26 4.458 4.479 -1.159
345 HE1 PHE 26 HE1 PHE 26 1.168 3.873 2.444
346 HE2 PHE 26 HE2 PHE 26 2.589 2.911 -1.457
347 HZ PHE 26 HZ PHE 26 0.939 2.607 0.346
348 HA PRO 27 HA PRO 27 7.070 10.856 0.732
349 HB2 PRO 27 HB2 PRO 27 6.544 12.516 2.780
350 HB3 PRO 27 HB1 PRO 27 5.522 12.451 1.340
351 HG2 PRO 27 HG2 PRO 27 5.097 11.207 4.021
352 HG3 PRO 27 HG1 PRO 27 3.929 12.033 2.975
353 HD2 PRO 27 HD2 PRO 27 4.152 9.318 3.160
354 HD3 PRO 27 HD1 PRO 27 3.555 10.155 1.717
355 H ASP 28 HN ASP 28 6.730 8.810 3.418
356 HA ASP 28 HA ASP 28 9.472 9.471 4.308
357 HB2 ASP 28 HB2 ASP 28 7.728 9.692 6.083
358 HB3 ASP 28 HB1 ASP 28 7.277 8.016 5.827
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 -6.297 -7.849 4.498
2 HA2 GLY 1 HA2 GLY 1 -7.363 -6.042 3.511
3 HA3 GLY 1 HA1 GLY 1 -7.949 -5.554 5.104
4 H PHE 2 HN PHE 2 -7.112 -3.469 3.952
5 HA PHE 2 HA PHE 2 -4.481 -2.979 5.095
6 HB2 PHE 2 HB2 PHE 2 -3.981 -3.465 2.764
7 HB3 PHE 2 HB1 PHE 2 -5.224 -2.353 2.224
8 HD1 PHE 2 HD1 PHE 2 -4.635 -0.183 1.657
9 HD2 PHE 2 HD2 PHE 2 -2.051 -2.449 4.170
10 HE1 PHE 2 HE1 PHE 2 -2.956 1.609 1.540
11 HE2 PHE 2 HE2 PHE 2 -0.372 -0.660 4.059
12 HZ PHE 2 HZ PHE 2 -0.821 1.373 2.742
13 H CYS 3 HN CYS 3 -4.407 -1.079 6.122
14 HA CYS 3 HA CYS 3 -6.488 0.871 5.525
15 HB2 CYS 3 HB2 CYS 3 -5.466 0.101 8.261
16 HB3 CYS 3 HB1 CYS 3 -6.645 1.355 7.912
17 H TRP 4 HN TRP 4 -5.716 2.812 5.224
18 HA TRP 4 HA TRP 4 -3.362 3.729 6.567
19 HB2 TRP 4 HB2 TRP 4 -2.491 2.638 4.474
20 HB3 TRP 4 HB1 TRP 4 -3.494 3.717 3.527
21 HD1 TRP 4 HD1 TRP 4 -2.708 6.290 3.382
22 HE1 TRP 4 HE1 TRP 4 -0.393 7.403 3.799
23 HE3 TRP 4 3HE TRP 4 -0.396 2.501 5.913
24 HZ2 TRP 4 HZ2 TRP 4 2.033 6.761 5.023
25 HZ3 TRP 4 HZ3 TRP 4 1.925 2.829 6.670
26 HH2 TRP 4 2HH TRP 4 3.112 4.915 6.233
27 H HIS 5 HN HIS 5 -3.544 5.929 6.860
28 HA HIS 5 HA HIS 5 -4.543 7.952 7.052
29 HB2 HIS 5 HB2 HIS 5 -4.051 7.923 4.560
30 HB3 HIS 5 HB1 HIS 5 -5.696 7.383 4.297
31 HD1 HIS 5 HD1 HIS 5 -6.258 9.508 2.910
32 HD2 HIS 5 HD2 HIS 5 -5.000 10.321 6.782
33 HE1 HIS 5 HE1 HIS 5 -6.753 11.945 3.305
34 H HIS 6 HN HIS 6 -5.813 5.450 7.813
35 HA HIS 6 HA HIS 6 -7.568 4.707 8.917
36 HB2 HIS 6 HB2 HIS 6 -8.686 7.511 8.626
37 HB3 HIS 6 HB1 HIS 6 -9.416 6.253 9.617
38 HD1 HIS 6 HD1 HIS 6 -8.221 5.704 11.902
39 HD2 HIS 6 HD2 HIS 6 -6.351 8.645 9.637
40 HE1 HIS 6 HE1 HIS 6 -6.530 6.780 13.411
41 H SER 7 HN SER 7 -7.485 5.068 5.847
42 HA SER 7 HA SER 7 -10.256 4.346 5.290
43 HB2 SER 7 HB2 SER 7 -7.910 4.848 3.441
44 HB3 SER 7 HB1 SER 7 -9.579 4.611 2.935
45 HG SER 7 HG SER 7 -9.596 6.509 4.740
46 H CYS 8 HN CYS 8 -10.737 2.209 5.021
47 HA CYS 8 HA CYS 8 -8.461 0.368 4.875
48 HB2 CYS 8 HB2 CYS 8 -11.130 -0.005 6.222
49 HB3 CYS 8 HB1 CYS 8 -9.930 -1.273 6.023
50 H VAL 9 HN VAL 9 -8.428 -1.182 3.417
51 HA VAL 9 HA VAL 9 -10.810 -1.576 1.759
52 HB VAL 9 HB VAL 9 -9.275 -2.632 0.042
53 HG11 VAL 9 HG11 VAL 9 -8.746 0.236 0.746
54 HG12 VAL 9 HG12 VAL 9 -10.019 -0.381 -0.306
55 HG13 VAL 9 3HG1 VAL 9 -8.329 -0.508 -0.797
56 HG21 VAL 9 HG21 VAL 9 -7.096 -1.460 1.763
57 HG22 VAL 9 HG22 VAL 9 -6.867 -2.166 0.161
58 HG23 VAL 9 HG23 VAL 9 -7.397 -3.178 1.506
59 HA PRO 10 HA PRO 10 -11.312 -5.440 3.645
60 HB2 PRO 10 HB2 PRO 10 -12.539 -6.875 1.737
61 HB3 PRO 10 HB1 PRO 10 -13.323 -5.520 2.560
62 HG2 PRO 10 HG2 PRO 10 -11.954 -5.572 -0.111
63 HG3 PRO 10 HG1 PRO 10 -13.522 -4.861 0.312
64 HD2 PRO 10 HD2 PRO 10 -11.299 -3.373 0.100
65 HD3 PRO 10 HD1 PRO 10 -12.554 -3.012 1.302
66 H SER 11 HN SER 11 -10.831 -7.674 3.636
67 HA SER 11 HA SER 11 -8.286 -8.410 2.787
68 HB2 SER 11 HB2 SER 11 -10.614 -10.141 3.622
69 HB3 SER 11 HB1 SER 11 -8.903 -10.578 3.657
70 HG SER 11 HG SER 11 -8.882 -9.797 5.542
71 H GLY 12 HN GLY 12 -7.616 -9.433 0.960
72 HA2 GLY 12 HA2 GLY 12 -8.123 -10.987 -0.837
73 HA3 GLY 12 HA1 GLY 12 -9.708 -10.227 -0.943
74 H THR 13 HN THR 13 -8.319 -7.601 -0.395
75 HA THR 13 HA THR 13 -8.063 -6.786 -3.094
76 HB THR 13 HB THR 13 -7.205 -5.320 -0.582
77 HG1 THR 13 HG1 THR 13 -9.278 -5.562 -0.218
78 HG21 THR 13 HG21 THR 13 -8.038 -4.286 -3.306
79 HG22 THR 13 HG22 THR 13 -6.388 -4.305 -2.685
80 HG23 THR 13 HG23 THR 13 -7.609 -3.291 -1.914
81 H CYS 14 HN CYS 14 -6.278 -6.728 -4.364
82 HA CYS 14 HA CYS 14 -3.672 -7.047 -3.081
83 HB2 CYS 14 HB2 CYS 14 -4.517 -7.995 -5.835
84 HB3 CYS 14 HB1 CYS 14 -2.906 -8.151 -5.151
85 H ALA 15 HN ALA 15 -1.964 -5.838 -3.965
86 HA ALA 15 HA ALA 15 -2.632 -3.715 -5.847
87 HB1 ALA 15 HB1 ALA 15 -1.605 -3.222 -3.049
88 HB2 ALA 15 HB2 ALA 15 -3.204 -2.796 -3.648
89 HB3 ALA 15 HB3 ALA 15 -1.775 -1.986 -4.297
90 H ASP 16 HN ASP 16 -0.774 -2.916 -6.889
91 HA ASP 16 HA ASP 16 1.579 -4.593 -6.485
92 HB2 ASP 16 HB2 ASP 16 2.270 -4.080 -8.726
93 HB3 ASP 16 HB1 ASP 16 0.567 -4.488 -8.793
94 H PHE 17 HN PHE 17 3.587 -3.767 -6.213
95 HA PHE 17 HA PHE 17 3.852 -0.913 -5.612
96 HB2 PHE 17 HB2 PHE 17 4.624 -3.268 -3.888
97 HB3 PHE 17 HB1 PHE 17 5.305 -1.671 -3.664
98 HD1 PHE 17 HD1 PHE 17 4.137 -0.022 -2.474
99 HD2 PHE 17 HD2 PHE 17 2.206 -3.671 -3.485
100 HE1 PHE 17 HE1 PHE 17 2.319 0.512 -0.919
101 HE2 PHE 17 HE2 PHE 17 0.384 -3.144 -1.934
102 HZ PHE 17 HZ PHE 17 0.440 -1.047 -0.646
103 HA PRO 18 HA PRO 18 7.830 -1.383 -7.693
104 HB2 PRO 18 HB2 PRO 18 9.053 0.144 -5.461
105 HB3 PRO 18 HB1 PRO 18 9.028 0.515 -7.187
106 HG2 PRO 18 HG2 PRO 18 7.536 1.904 -5.496
107 HG3 PRO 18 HG1 PRO 18 6.909 1.450 -7.092
108 HD2 PRO 18 HD2 PRO 18 6.370 0.206 -4.424
109 HD3 PRO 18 HD1 PRO 18 5.239 0.593 -5.740
110 H TRP 19 HN TRP 19 10.128 -2.038 -7.237
111 HA TRP 19 HA TRP 19 10.302 -4.445 -5.803
112 HB2 TRP 19 HB2 TRP 19 11.740 -3.722 -7.767
113 HB3 TRP 19 HB1 TRP 19 12.565 -2.611 -6.688
114 HD1 TRP 19 HD1 TRP 19 12.348 -6.288 -7.621
115 HE1 TRP 19 HE1 TRP 19 14.295 -7.561 -6.516
116 HE3 TRP 19 3HE TRP 19 14.150 -2.595 -4.584
117 HZ2 TRP 19 HZ2 TRP 19 16.312 -7.074 -4.629
118 HZ3 TRP 19 HZ3 TRP 19 16.082 -3.082 -3.161
119 HH2 TRP 19 2HH TRP 19 17.146 -5.278 -3.180
120 HA PRO 20 HA PRO 20 11.429 -5.663 -4.598
121 HB2 PRO 20 HB2 PRO 20 11.945 -6.738 -2.142
122 HB3 PRO 20 HB1 PRO 20 13.180 -6.104 -3.228
123 HG2 PRO 20 HG2 PRO 20 12.362 -5.043 -0.676
124 HG3 PRO 20 HG1 PRO 20 13.625 -4.451 -1.762
125 HD2 PRO 20 HD2 PRO 20 10.843 -3.502 -1.428
126 HD3 PRO 20 HD1 PRO 20 12.265 -2.639 -2.043
127 H LEU 21 HN LEU 21 9.002 -4.118 -3.415
128 HA LEU 21 HA LEU 21 7.669 -6.045 -1.787
129 HB2 LEU 21 HB2 LEU 21 6.817 -3.477 -3.065
130 HB3 LEU 21 HB1 LEU 21 5.624 -4.555 -2.390
131 HG LEU 21 HG LEU 21 6.099 -2.794 -0.845
132 HD11 LEU 21 HD11 LEU 21 7.254 -5.406 0.072
133 HD12 LEU 21 HD12 LEU 21 5.561 -4.907 0.121
134 HD13 LEU 21 HD13 LEU 21 6.768 -4.072 1.108
135 HD21 LEU 21 HD21 LEU 21 8.244 -2.429 0.141
136 HD22 LEU 21 HD22 LEU 21 8.389 -2.298 -1.631
137 HD23 LEU 21 HD23 LEU 21 8.926 -3.758 -0.791
138 H GLY 22 HN GLY 22 7.054 -4.877 -5.087
139 HA2 GLY 22 HA2 GLY 22 6.328 -6.079 -6.893
140 HA3 GLY 22 HA1 GLY 22 6.365 -7.544 -5.912
141 H HIS 23 HN HIS 23 4.399 -8.388 -6.090
142 HA HIS 23 HA HIS 23 2.057 -6.629 -6.006
143 HB2 HIS 23 HB2 HIS 23 2.304 -9.546 -6.757
144 HB3 HIS 23 HB1 HIS 23 0.816 -8.608 -6.801
145 HD1 HIS 23 HD1 HIS 23 4.090 -9.051 -8.631
146 HD2 HIS 23 HD2 HIS 23 0.537 -6.920 -8.961
147 HE1 HIS 23 HE1 HIS 23 4.067 -8.081 -10.955
148 H GLN 24 HN GLN 24 1.166 -6.322 -4.054
149 HA GLN 24 HA GLN 24 1.441 -8.356 -1.985
150 HB2 GLN 24 HB2 GLN 24 0.824 -5.436 -1.993
151 HB3 GLN 24 HB1 GLN 24 0.332 -6.426 -0.637
152 HG2 GLN 24 HG2 GLN 24 2.524 -5.121 -0.564
153 HG3 GLN 24 HG1 GLN 24 2.511 -6.790 0.041
154 HE21 GLN 24 1HE2 GLN 24 3.320 -4.723 -2.563
155 HE22 GLN 24 2HE2 GLN 24 4.502 -5.759 -3.290
156 H CYS 25 HN CYS 25 -0.239 -9.231 -1.077
157 HA CYS 25 HA CYS 25 -2.914 -8.360 -1.835
158 HB2 CYS 25 HB2 CYS 25 -1.897 -11.187 -1.474
159 HB3 CYS 25 HB1 CYS 25 -3.608 -10.776 -1.492
160 H PHE 26 HN PHE 26 -4.285 -8.081 -0.141
161 HA PHE 26 HA PHE 26 -2.898 -8.194 2.430
162 HB2 PHE 26 HB2 PHE 26 -5.204 -6.436 1.599
163 HB3 PHE 26 HB1 PHE 26 -4.347 -6.362 3.133
164 HD1 PHE 26 HD1 PHE 26 -1.838 -5.833 3.048
165 HD2 PHE 26 HD2 PHE 26 -4.478 -5.179 -0.223
166 HE1 PHE 26 HE1 PHE 26 -0.233 -4.244 2.073
167 HE2 PHE 26 HE2 PHE 26 -2.878 -3.590 -1.203
168 HZ PHE 26 HZ PHE 26 -0.752 -3.122 -0.054
169 HA PRO 27 HA PRO 27 -6.050 -11.410 3.222
170 HB2 PRO 27 HB2 PRO 27 -4.751 -12.481 5.370
171 HB3 PRO 27 HB1 PRO 27 -4.373 -12.917 3.704
172 HG2 PRO 27 HG2 PRO 27 -2.977 -11.021 5.536
173 HG3 PRO 27 HG1 PRO 27 -2.288 -12.185 4.393
174 HD2 PRO 27 HD2 PRO 27 -2.452 -9.547 3.853
175 HD3 PRO 27 HD1 PRO 27 -2.579 -10.782 2.592
176 H ASP 28 HN ASP 28 -4.660 -9.058 5.367
177 HA ASP 28 HA ASP 28 -6.902 -9.337 7.257
178 HB2 ASP 28 HB2 ASP 28 -4.357 -7.703 7.483
179 HB3 ASP 28 HB1 ASP 28 -5.594 -7.843 8.718
180 H1 GLY 1 HN GLY 1 7.114 7.734 2.562
181 HA2 GLY 1 HA2 GLY 1 7.843 5.869 1.397
182 HA3 GLY 1 HA1 GLY 1 8.918 5.481 2.740
183 H PHE 2 HN PHE 2 7.951 3.328 2.149
184 HA PHE 2 HA PHE 2 5.801 2.751 3.993
185 HB2 PHE 2 HB2 PHE 2 4.630 3.252 1.859
186 HB3 PHE 2 HB1 PHE 2 5.638 2.075 1.035
187 HD1 PHE 2 HD1 PHE 2 5.026 -0.196 0.973
188 HD2 PHE 2 HD2 PHE 2 3.051 2.462 3.647
189 HE1 PHE 2 HE1 PHE 2 3.364 -1.933 1.469
190 HE2 PHE 2 HE2 PHE 2 1.390 0.728 4.148
191 HZ PHE 2 HZ PHE 2 1.544 -1.477 3.057
192 H CYS 3 HN CYS 3 5.987 0.576 4.710
193 HA CYS 3 HA CYS 3 7.953 -1.034 3.345
194 HB2 CYS 3 HB2 CYS 3 9.082 0.351 5.141
195 HB3 CYS 3 HB1 CYS 3 8.085 -0.501 6.312
196 H TRP 4 HN TRP 4 7.382 -3.113 3.344
197 HA TRP 4 HA TRP 4 5.333 -4.028 5.197
198 HB2 TRP 4 HB2 TRP 4 4.243 -3.058 3.137
199 HB3 TRP 4 HB1 TRP 4 5.100 -4.241 2.180
200 HD1 TRP 4 HD1 TRP 4 4.150 -6.697 2.152
201 HE1 TRP 4 HE1 TRP 4 1.886 -7.708 2.930
202 HE3 TRP 4 3HE TRP 4 2.458 -2.813 4.988
203 HZ2 TRP 4 HZ2 TRP 4 -0.297 -6.939 4.525
204 HZ3 TRP 4 HZ3 TRP 4 0.276 -3.018 6.101
205 HH2 TRP 4 2HH TRP 4 -1.072 -5.036 5.871
206 H HIS 5 HN HIS 5 5.749 -6.111 5.746
207 HA HIS 5 HA HIS 5 6.918 -8.035 6.036
208 HB2 HIS 5 HB2 HIS 5 7.052 -7.903 3.014
209 HB3 HIS 5 HB1 HIS 5 7.677 -9.265 3.934
210 HD1 HIS 5 HD1 HIS 5 5.075 -8.985 1.873
211 HD2 HIS 5 HD2 HIS 5 5.159 -9.663 5.963
212 HE1 HIS 5 HE1 HIS 5 2.943 -10.202 2.423
213 H HIS 6 HN HIS 6 8.302 -5.478 6.082
214 HA HIS 6 HA HIS 6 10.277 -4.669 6.588
215 HB2 HIS 6 HB2 HIS 6 11.266 -7.523 6.386
216 HB3 HIS 6 HB1 HIS 6 12.269 -6.173 6.911
217 HD1 HIS 6 HD1 HIS 6 12.217 -5.700 9.404
218 HD2 HIS 6 HD2 HIS 6 8.933 -7.900 8.123
219 HE1 HIS 6 HE1 HIS 6 10.921 -6.286 11.472
220 H SER 7 HN SER 7 9.380 -5.353 3.738
221 HA SER 7 HA SER 7 11.855 -4.575 2.409
222 HB2 SER 7 HB2 SER 7 9.120 -5.295 1.311
223 HB3 SER 7 HB1 SER 7 10.579 -5.047 0.353
224 HG SER 7 HG SER 7 11.437 -6.795 1.834
225 H CYS 8 HN CYS 8 12.144 -2.378 2.374
226 HA CYS 8 HA CYS 8 9.754 -0.706 2.686
227 HB2 CYS 8 HB2 CYS 8 12.608 0.035 3.287
228 HB3 CYS 8 HB1 CYS 8 11.162 0.921 3.730
229 H VAL 9 HN VAL 9 9.328 0.902 1.280
230 HA VAL 9 HA VAL 9 11.254 1.404 -0.858
231 HB VAL 9 HB VAL 9 9.337 2.408 -2.159
232 HG11 VAL 9 HG11 VAL 9 9.023 -0.459 -1.354
233 HG12 VAL 9 HG12 VAL 9 10.044 0.162 -2.655
234 HG13 VAL 9 3HG1 VAL 9 8.286 0.267 -2.782
235 HG21 VAL 9 HG21 VAL 9 7.822 2.918 -0.309
236 HG22 VAL 9 HG22 VAL 9 7.632 1.197 0.024
237 HG23 VAL 9 HG23 VAL 9 7.024 1.873 -1.488
238 HA PRO 10 HA PRO 10 12.098 5.197 1.045
239 HB2 PRO 10 HB2 PRO 10 13.080 6.629 -1.008
240 HB3 PRO 10 HB1 PRO 10 13.937 5.247 -0.319
241 HG2 PRO 10 HG2 PRO 10 12.206 5.349 -2.769
242 HG3 PRO 10 HG1 PRO 10 13.800 4.600 -2.565
243 HD2 PRO 10 HD2 PRO 10 11.530 3.163 -2.465
244 HD3 PRO 10 HD1 PRO 10 12.941 2.766 -1.462
245 H SER 11 HN SER 11 11.650 7.423 1.162
246 HA SER 11 HA SER 11 9.039 8.222 0.885
247 HB2 SER 11 HB2 SER 11 11.504 9.947 1.055
248 HB3 SER 11 HB1 SER 11 9.875 10.343 1.618
249 HG SER 11 HG SER 11 10.712 9.616 3.402
250 H GLY 12 HN GLY 12 7.929 9.146 -0.736
251 HA2 GLY 12 HA2 GLY 12 7.904 10.775 -2.557
252 HA3 GLY 12 HA1 GLY 12 9.438 10.091 -3.086
253 H THR 13 HN THR 13 8.299 7.396 -2.298
254 HA THR 13 HA THR 13 7.491 6.569 -4.842
255 HB THR 13 HB THR 13 7.133 5.227 -2.154
256 HG1 THR 13 HG1 THR 13 9.245 5.327 -2.367
257 HG21 THR 13 HG21 THR 13 7.051 3.122 -3.440
258 HG22 THR 13 HG22 THR 13 7.112 4.039 -4.945
259 HG23 THR 13 HG23 THR 13 5.714 4.184 -3.882
260 H CYS 14 HN CYS 14 5.564 6.623 -5.838
261 HA CYS 14 HA CYS 14 3.155 6.947 -4.217
262 HB2 CYS 14 HB2 CYS 14 3.700 8.036 -7.001
263 HB3 CYS 14 HB1 CYS 14 2.164 8.146 -6.155
264 H ALA 15 HN ALA 15 1.277 5.861 -5.040
265 HA ALA 15 HA ALA 15 1.592 3.910 -7.132
266 HB1 ALA 15 HB1 ALA 15 1.039 2.009 -5.607
267 HB2 ALA 15 HB2 ALA 15 1.255 3.109 -4.233
268 HB3 ALA 15 HB3 ALA 15 2.615 2.730 -5.271
269 H ASP 16 HN ASP 16 -0.495 2.931 -7.615
270 HA ASP 16 HA ASP 16 -2.703 4.610 -6.692
271 HB2 ASP 16 HB2 ASP 16 -3.947 3.897 -8.650
272 HB3 ASP 16 HB1 ASP 16 -2.363 4.455 -9.163
273 H PHE 17 HN PHE 17 -4.465 3.771 -5.730
274 HA PHE 17 HA PHE 17 -4.577 0.890 -5.207
275 HB2 PHE 17 HB2 PHE 17 -4.850 3.175 -3.235
276 HB3 PHE 17 HB1 PHE 17 -5.361 1.535 -2.891
277 HD1 PHE 17 HD1 PHE 17 -3.866 -0.007 -2.045
278 HD2 PHE 17 HD2 PHE 17 -2.410 3.620 -3.709
279 HE1 PHE 17 HE1 PHE 17 -1.634 -0.498 -1.157
280 HE2 PHE 17 HE2 PHE 17 -0.175 3.138 -2.824
281 HZ PHE 17 HZ PHE 17 0.215 1.077 -1.548
282 HA PRO 18 HA PRO 18 -8.950 1.706 -5.941
283 HB2 PRO 18 HB2 PRO 18 -9.760 -0.125 -3.803
284 HB3 PRO 18 HB1 PRO 18 -9.950 -0.318 -5.546
285 HG2 PRO 18 HG2 PRO 18 -8.238 -1.831 -4.094
286 HG3 PRO 18 HG1 PRO 18 -7.929 -1.388 -5.782
287 HD2 PRO 18 HD2 PRO 18 -6.815 -0.193 -3.275
288 HD3 PRO 18 HD1 PRO 18 -5.994 -0.569 -4.806
289 H TRP 19 HN TRP 19 -10.954 2.327 -4.725
290 HA TRP 19 HA TRP 19 -10.458 4.362 -2.825
291 HB2 TRP 19 HB2 TRP 19 -12.374 4.181 -4.539
292 HB3 TRP 19 HB1 TRP 19 -13.111 3.016 -3.453
293 HD1 TRP 19 HD1 TRP 19 -12.243 6.742 -3.701
294 HE1 TRP 19 HE1 TRP 19 -13.721 8.050 -2.063
295 HE3 TRP 19 3HE TRP 19 -14.471 2.813 -1.323
296 HZ2 TRP 19 HZ2 TRP 19 -15.581 7.496 -0.023
297 HZ3 TRP 19 HZ3 TRP 19 -16.079 3.289 0.465
298 HH2 TRP 19 2HH TRP 19 -16.627 5.587 1.101
299 HA PRO 20 HA PRO 20 -11.460 5.272 -1.101
300 HB2 PRO 20 HB2 PRO 20 -11.110 5.675 1.609
301 HB3 PRO 20 HB1 PRO 20 -12.651 5.450 0.793
302 HG2 PRO 20 HG2 PRO 20 -11.452 3.664 2.663
303 HG3 PRO 20 HG1 PRO 20 -12.912 3.392 1.705
304 HD2 PRO 20 HD2 PRO 20 -10.126 2.479 1.210
305 HD3 PRO 20 HD1 PRO 20 -11.664 1.713 0.764
306 H LEU 21 HN LEU 21 -8.778 3.629 -1.116
307 HA LEU 21 HA LEU 21 -7.086 5.607 0.134
308 HB2 LEU 21 HB2 LEU 21 -6.471 3.055 -1.332
309 HB3 LEU 21 HB1 LEU 21 -5.214 4.219 -1.000
310 HG LEU 21 HG LEU 21 -5.068 2.514 0.632
311 HD11 LEU 21 HD11 LEU 21 -4.632 4.698 1.473
312 HD12 LEU 21 HD12 LEU 21 -5.391 3.698 2.717
313 HD13 LEU 21 HD13 LEU 21 -6.335 4.920 1.880
314 HD21 LEU 21 HD21 LEU 21 -7.268 1.564 0.480
315 HD22 LEU 21 HD22 LEU 21 -7.960 2.997 1.268
316 HD23 LEU 21 HD23 LEU 21 -6.861 1.936 2.161
317 H GLY 22 HN GLY 22 -7.411 4.329 -3.143
318 HA2 GLY 22 HA2 GLY 22 -7.425 5.488 -5.144
319 HA3 GLY 22 HA1 GLY 22 -7.355 6.987 -4.222
320 H HIS 23 HN HIS 23 -5.736 7.988 -5.288
321 HA HIS 23 HA HIS 23 -3.262 6.626 -5.838
322 HB2 HIS 23 HB2 HIS 23 -4.057 9.539 -6.093
323 HB3 HIS 23 HB1 HIS 23 -2.470 8.918 -6.530
324 HD1 HIS 23 HD1 HIS 23 -5.830 9.480 -7.934
325 HD2 HIS 23 HD2 HIS 23 -2.585 6.987 -8.685
326 HE1 HIS 23 HE1 HIS 23 -6.129 8.629 -10.264
327 H GLN 24 HN GLN 24 -1.675 6.387 -4.432
328 HA GLN 24 HA GLN 24 -1.667 8.173 -2.121
329 HB2 GLN 24 HB2 GLN 24 -1.140 5.244 -2.291
330 HB3 GLN 24 HB1 GLN 24 -0.473 6.212 -0.991
331 HG2 GLN 24 HG2 GLN 24 -2.733 6.859 -0.315
332 HG3 GLN 24 HG1 GLN 24 -3.401 5.858 -1.622
333 HE21 GLN 24 1HE2 GLN 24 -1.630 5.928 1.295
334 HE22 GLN 24 2HE2 GLN 24 -1.915 4.276 1.733
335 H CYS 25 HN CYS 25 0.128 9.088 -1.553
336 HA CYS 25 HA CYS 25 2.608 8.262 -2.820
337 HB2 CYS 25 HB2 CYS 25 1.582 11.041 -2.263
338 HB3 CYS 25 HB1 CYS 25 3.289 10.685 -2.513
339 H PHE 26 HN PHE 26 4.191 7.832 -1.463
340 HA PHE 26 HA PHE 26 3.546 8.133 1.367
341 HB2 PHE 26 HB2 PHE 26 5.471 6.273 -0.026
342 HB3 PHE 26 HB1 PHE 26 5.176 6.289 1.704
343 HD1 PHE 26 HD1 PHE 26 2.792 5.800 2.501
344 HD2 PHE 26 HD2 PHE 26 4.136 5.005 -1.460
345 HE1 PHE 26 HE1 PHE 26 0.928 4.229 2.186
346 HE2 PHE 26 HE2 PHE 26 2.273 3.433 -1.782
347 HZ PHE 26 HZ PHE 26 0.665 3.043 0.040
348 HA PRO 27 HA PRO 27 6.878 11.317 1.155
349 HB2 PRO 27 HB2 PRO 27 5.699 12.163 3.703
350 HB3 PRO 27 HB1 PRO 27 5.904 13.091 2.216
351 HG2 PRO 27 HG2 PRO 27 3.482 12.318 3.050
352 HG3 PRO 27 HG1 PRO 27 3.898 12.348 1.326
353 HD2 PRO 27 HD2 PRO 27 3.822 10.020 3.212
354 HD3 PRO 27 HD1 PRO 27 3.176 10.155 1.559
355 H ASP 28 HN ASP 28 5.999 9.071 3.607
356 HA ASP 28 HA ASP 28 8.650 9.371 4.862
357 HB2 ASP 28 HB2 ASP 28 6.164 7.987 5.924
358 HB3 ASP 28 HB1 ASP 28 7.712 8.064 6.748
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 -5.891 -7.889 4.670
2 HA2 GLY 1 HA2 GLY 1 -7.212 -6.070 3.929
3 HA3 GLY 1 HA1 GLY 1 -7.702 -5.787 5.600
4 H PHE 2 HN PHE 2 -7.006 -3.553 4.663
5 HA PHE 2 HA PHE 2 -4.456 -2.960 5.826
6 HB2 PHE 2 HB2 PHE 2 -3.751 -3.642 3.585
7 HB3 PHE 2 HB1 PHE 2 -4.934 -2.569 2.861
8 HD1 PHE 2 HD1 PHE 2 -4.190 -0.555 2.061
9 HD2 PHE 2 HD2 PHE 2 -2.039 -2.437 5.208
10 HE1 PHE 2 HE1 PHE 2 -2.501 1.222 1.963
11 HE2 PHE 2 HE2 PHE 2 -0.346 -0.660 5.117
12 HZ PHE 2 HZ PHE 2 -0.577 1.173 3.490
13 H CYS 3 HN CYS 3 -4.293 -0.684 6.239
14 HA CYS 3 HA CYS 3 -6.430 0.961 5.210
15 HB2 CYS 3 HB2 CYS 3 -7.136 -0.062 7.429
16 HB3 CYS 3 HB1 CYS 3 -5.833 0.858 8.172
17 H TRP 4 HN TRP 4 -5.744 2.977 4.786
18 HA TRP 4 HA TRP 4 -3.361 4.029 6.011
19 HB2 TRP 4 HB2 TRP 4 -2.503 2.668 4.081
20 HB3 TRP 4 HB1 TRP 4 -3.541 3.593 3.018
21 HD1 TRP 4 HD1 TRP 4 -2.741 5.976 2.250
22 HE1 TRP 4 HE1 TRP 4 -0.549 7.280 2.514
23 HE3 TRP 4 3HE TRP 4 -0.451 3.023 5.739
24 HZ2 TRP 4 HZ2 TRP 4 1.844 7.093 3.992
25 HZ3 TRP 4 HZ3 TRP 4 1.798 3.657 6.516
26 HH2 TRP 4 2HH TRP 4 2.918 5.647 5.661
27 H HIS 5 HN HIS 5 -3.454 6.221 6.030
28 HA HIS 5 HA HIS 5 -4.186 8.348 5.798
29 HB2 HIS 5 HB2 HIS 5 -3.620 7.811 3.372
30 HB3 HIS 5 HB1 HIS 5 -5.323 7.466 3.122
31 HD1 HIS 5 HD1 HIS 5 -6.663 9.435 2.306
32 HD2 HIS 5 HD2 HIS 5 -3.195 10.556 4.270
33 HE1 HIS 5 HE1 HIS 5 -6.514 11.929 2.062
34 H HIS 6 HN HIS 6 -5.853 6.244 6.950
35 HA HIS 6 HA HIS 6 -7.759 6.043 8.073
36 HB2 HIS 6 HB2 HIS 6 -8.247 8.864 7.127
37 HB3 HIS 6 HB1 HIS 6 -9.444 7.997 8.082
38 HD1 HIS 6 HD1 HIS 6 -9.229 8.430 10.531
39 HD2 HIS 6 HD2 HIS 6 -5.604 8.839 8.552
40 HE1 HIS 6 HE1 HIS 6 -7.558 9.134 12.283
41 H SER 7 HN SER 7 -7.446 5.469 5.165
42 HA SER 7 HA SER 7 -10.261 4.855 4.663
43 HB2 SER 7 HB2 SER 7 -7.950 5.072 2.717
44 HB3 SER 7 HB1 SER 7 -9.641 4.792 2.298
45 HG SER 7 HG SER 7 -9.897 6.879 3.601
46 H CYS 8 HN CYS 8 -10.686 2.717 4.984
47 HA CYS 8 HA CYS 8 -8.394 0.892 5.042
48 HB2 CYS 8 HB2 CYS 8 -11.096 0.575 6.355
49 HB3 CYS 8 HB1 CYS 8 -9.738 -0.523 6.515
50 H VAL 9 HN VAL 9 -8.407 -0.981 3.885
51 HA VAL 9 HA VAL 9 -10.688 -1.471 2.117
52 HB VAL 9 HB VAL 9 -8.981 -2.699 0.633
53 HG11 VAL 9 HG11 VAL 9 -8.828 0.278 0.937
54 HG12 VAL 9 HG12 VAL 9 -9.961 -0.627 -0.068
55 HG13 VAL 9 3HG1 VAL 9 -8.241 -0.613 -0.466
56 HG21 VAL 9 HG21 VAL 9 -6.645 -1.901 0.788
57 HG22 VAL 9 HG22 VAL 9 -7.140 -2.813 2.212
58 HG23 VAL 9 HG23 VAL 9 -7.058 -1.055 2.279
59 HA PRO 10 HA PRO 10 -11.179 -5.358 4.056
60 HB2 PRO 10 HB2 PRO 10 -12.332 -6.779 2.073
61 HB3 PRO 10 HB1 PRO 10 -13.175 -5.476 2.921
62 HG2 PRO 10 HG2 PRO 10 -11.776 -5.418 0.274
63 HG3 PRO 10 HG1 PRO 10 -13.357 -4.745 0.713
64 HD2 PRO 10 HD2 PRO 10 -11.138 -3.222 0.562
65 HD3 PRO 10 HD1 PRO 10 -12.426 -2.899 1.739
66 H SER 11 HN SER 11 -10.709 -7.639 3.892
67 HA SER 11 HA SER 11 -8.055 -8.255 3.282
68 HB2 SER 11 HB2 SER 11 -10.411 -10.112 3.610
69 HB3 SER 11 HB1 SER 11 -8.710 -10.477 3.908
70 HG SER 11 HG SER 11 -9.716 -10.026 5.830
71 H GLY 12 HN GLY 12 -7.117 -8.921 1.436
72 HA2 GLY 12 HA2 GLY 12 -7.197 -10.379 -0.489
73 HA3 GLY 12 HA1 GLY 12 -8.879 -9.913 -0.706
74 H THR 13 HN THR 13 -7.846 -7.086 0.045
75 HA THR 13 HA THR 13 -7.672 -6.049 -2.541
76 HB THR 13 HB THR 13 -6.679 -4.848 0.059
77 HG1 THR 13 HG1 THR 13 -8.790 -5.107 0.392
78 HG21 THR 13 HG21 THR 13 -5.823 -3.638 -1.896
79 HG22 THR 13 HG22 THR 13 -7.058 -2.677 -1.075
80 HG23 THR 13 HG23 THR 13 -7.454 -3.542 -2.555
81 H CYS 14 HN CYS 14 -5.940 -5.628 -3.888
82 HA CYS 14 HA CYS 14 -3.268 -6.263 -2.876
83 HB2 CYS 14 HB2 CYS 14 -4.328 -6.820 -5.657
84 HB3 CYS 14 HB1 CYS 14 -2.713 -7.188 -5.062
85 H ALA 15 HN ALA 15 -1.541 -5.138 -3.965
86 HA ALA 15 HA ALA 15 -2.259 -2.800 -5.526
87 HB1 ALA 15 HB1 ALA 15 -1.024 -1.301 -4.034
88 HB2 ALA 15 HB2 ALA 15 -0.775 -2.640 -2.908
89 HB3 ALA 15 HB3 ALA 15 -2.399 -2.035 -3.205
90 H ASP 16 HN ASP 16 -0.516 -2.022 -6.753
91 HA ASP 16 HA ASP 16 1.624 -3.996 -6.969
92 HB2 ASP 16 HB2 ASP 16 0.244 -3.521 -8.991
93 HB3 ASP 16 HB1 ASP 16 0.825 -1.859 -8.944
94 H PHE 17 HN PHE 17 3.329 -3.451 -5.822
95 HA PHE 17 HA PHE 17 4.080 -0.638 -5.690
96 HB2 PHE 17 HB2 PHE 17 4.886 -2.982 -3.952
97 HB3 PHE 17 HB1 PHE 17 5.440 -1.334 -3.755
98 HD1 PHE 17 HD1 PHE 17 3.803 0.434 -3.164
99 HD2 PHE 17 HD2 PHE 17 2.839 -3.706 -3.031
100 HE1 PHE 17 HE1 PHE 17 1.953 0.923 -1.669
101 HE2 PHE 17 HE2 PHE 17 0.975 -3.231 -1.522
102 HZ PHE 17 HZ PHE 17 0.519 -0.912 -0.831
103 HA PRO 18 HA PRO 18 7.703 -1.760 -7.972
104 HB2 PRO 18 HB2 PRO 18 9.504 0.064 -7.140
105 HB3 PRO 18 HB1 PRO 18 8.119 0.500 -8.143
106 HG2 PRO 18 HG2 PRO 18 8.552 0.909 -5.235
107 HG3 PRO 18 HG1 PRO 18 7.677 1.919 -6.395
108 HD2 PRO 18 HD2 PRO 18 6.559 0.123 -4.583
109 HD3 PRO 18 HD1 PRO 18 5.705 0.823 -5.956
110 H TRP 19 HN TRP 19 10.015 -2.326 -7.711
111 HA TRP 19 HA TRP 19 10.543 -4.224 -5.726
112 HB2 TRP 19 HB2 TRP 19 11.672 -4.399 -7.820
113 HB3 TRP 19 HB1 TRP 19 12.290 -2.760 -7.704
114 HD1 TRP 19 HD1 TRP 19 14.137 -2.380 -6.076
115 HE1 TRP 19 HE1 TRP 19 16.157 -3.857 -5.207
116 HE3 TRP 19 3HE TRP 19 12.192 -6.850 -7.094
117 HZ2 TRP 19 HZ2 TRP 19 16.705 -6.590 -4.995
118 HZ3 TRP 19 HZ3 TRP 19 13.445 -8.858 -6.490
119 HH2 TRP 19 2HH TRP 19 15.654 -8.747 -5.485
120 HA PRO 20 HA PRO 20 12.015 -5.136 -4.741
121 HB2 PRO 20 HB2 PRO 20 12.478 -5.537 -1.862
122 HB3 PRO 20 HB1 PRO 20 13.498 -5.984 -3.238
123 HG2 PRO 20 HG2 PRO 20 14.227 -4.010 -1.667
124 HG3 PRO 20 HG1 PRO 20 14.347 -3.942 -3.455
125 HD2 PRO 20 HD2 PRO 20 12.080 -2.818 -1.763
126 HD3 PRO 20 HD1 PRO 20 13.142 -1.907 -2.870
127 H LEU 21 HN LEU 21 9.636 -3.473 -3.367
128 HA LEU 21 HA LEU 21 8.438 -5.264 -1.499
129 HB2 LEU 21 HB2 LEU 21 8.261 -2.770 -1.504
130 HB3 LEU 21 HB1 LEU 21 7.218 -2.888 -2.901
131 HG LEU 21 HG LEU 21 5.513 -4.016 -1.549
132 HD11 LEU 21 HD11 LEU 21 5.855 -4.182 0.872
133 HD12 LEU 21 HD12 LEU 21 7.542 -3.704 0.656
134 HD13 LEU 21 HD13 LEU 21 6.940 -5.216 -0.041
135 HD21 LEU 21 HD21 LEU 21 6.606 -1.556 -0.209
136 HD22 LEU 21 HD22 LEU 21 4.966 -2.195 -0.067
137 HD23 LEU 21 HD23 LEU 21 5.540 -1.576 -1.615
138 H GLY 22 HN GLY 22 7.512 -4.183 -4.758
139 HA2 GLY 22 HA2 GLY 22 6.730 -5.483 -6.521
140 HA3 GLY 22 HA1 GLY 22 6.761 -6.881 -5.460
141 H HIS 23 HN HIS 23 4.723 -7.323 -6.601
142 HA HIS 23 HA HIS 23 2.486 -5.630 -5.890
143 HB2 HIS 23 HB2 HIS 23 2.752 -6.821 -8.153
144 HB3 HIS 23 HB1 HIS 23 2.380 -8.310 -7.296
145 HD1 HIS 23 HD1 HIS 23 0.830 -5.496 -8.990
146 HD2 HIS 23 HD2 HIS 23 -0.304 -8.261 -6.111
147 HE1 HIS 23 HE1 HIS 23 -1.712 -5.445 -8.912
148 H GLN 24 HN GLN 24 1.444 -5.907 -4.051
149 HA GLN 24 HA GLN 24 1.624 -8.521 -2.768
150 HB2 GLN 24 HB2 GLN 24 1.956 -5.821 -1.515
151 HB3 GLN 24 HB1 GLN 24 1.575 -7.256 -0.580
152 HG2 GLN 24 HG2 GLN 24 3.624 -8.305 -1.292
153 HG3 GLN 24 HG1 GLN 24 4.010 -6.915 -2.317
154 HE21 GLN 24 1HE2 GLN 24 5.406 -8.118 -0.041
155 HE22 GLN 24 2HE2 GLN 24 5.607 -6.822 1.103
156 H CYS 25 HN CYS 25 -0.033 -9.054 -1.363
157 HA CYS 25 HA CYS 25 -2.501 -7.572 -1.751
158 HB2 CYS 25 HB2 CYS 25 -2.097 -10.567 -1.574
159 HB3 CYS 25 HB1 CYS 25 -3.667 -9.764 -1.596
160 H PHE 26 HN PHE 26 -3.774 -7.376 0.015
161 HA PHE 26 HA PHE 26 -2.344 -7.717 2.539
162 HB2 PHE 26 HB2 PHE 26 -4.799 -6.059 1.944
163 HB3 PHE 26 HB1 PHE 26 -3.784 -5.972 3.381
164 HD1 PHE 26 HD1 PHE 26 -1.290 -5.351 2.981
165 HD2 PHE 26 HD2 PHE 26 -4.390 -4.623 0.163
166 HE1 PHE 26 HE1 PHE 26 0.104 -3.645 1.892
167 HE2 PHE 26 HE2 PHE 26 -3.004 -2.919 -0.931
168 HZ PHE 26 HZ PHE 26 -0.750 -2.428 -0.067
169 HA PRO 27 HA PRO 27 -5.150 -11.295 2.881
170 HB2 PRO 27 HB2 PRO 27 -3.588 -11.761 5.340
171 HB3 PRO 27 HB1 PRO 27 -3.850 -12.833 3.963
172 HG2 PRO 27 HG2 PRO 27 -1.488 -11.683 4.356
173 HG3 PRO 27 HG1 PRO 27 -2.150 -11.876 2.725
174 HD2 PRO 27 HD2 PRO 27 -2.083 -9.426 4.453
175 HD3 PRO 27 HD1 PRO 27 -1.743 -9.609 2.716
176 H ASP 28 HN ASP 28 -4.282 -9.271 5.655
177 HA ASP 28 HA ASP 28 -6.852 -9.941 6.886
178 HB2 ASP 28 HB2 ASP 28 -5.965 -8.963 8.914
179 HB3 ASP 28 HB1 ASP 28 -4.788 -10.098 8.270
180 H1 GLY 1 HN GLY 1 6.836 7.323 2.561
181 HA2 GLY 1 HA2 GLY 1 7.991 5.608 1.390
182 HA3 GLY 1 HA1 GLY 1 8.933 5.285 2.853
183 H PHE 2 HN PHE 2 8.029 3.006 2.122
184 HA PHE 2 HA PHE 2 5.804 2.516 3.892
185 HB2 PHE 2 HB2 PHE 2 4.669 3.046 1.760
186 HB3 PHE 2 HB1 PHE 2 5.603 1.798 0.953
187 HD1 PHE 2 HD1 PHE 2 4.706 -0.310 0.749
188 HD2 PHE 2 HD2 PHE 2 3.218 2.270 3.770
189 HE1 PHE 2 HE1 PHE 2 2.966 -1.964 1.294
190 HE2 PHE 2 HE2 PHE 2 1.478 0.630 4.325
191 HZ PHE 2 HZ PHE 2 1.349 -1.493 3.085
192 H CYS 3 HN CYS 3 5.704 0.381 4.600
193 HA CYS 3 HA CYS 3 7.704 -1.471 3.572
194 HB2 CYS 3 HB2 CYS 3 7.351 -0.697 6.481
195 HB3 CYS 3 HB1 CYS 3 8.331 -2.039 5.913
196 H TRP 4 HN TRP 4 6.923 -3.510 3.457
197 HA TRP 4 HA TRP 4 4.812 -4.357 5.203
198 HB2 TRP 4 HB2 TRP 4 3.603 -3.273 3.298
199 HB3 TRP 4 HB1 TRP 4 4.366 -4.407 2.200
200 HD1 TRP 4 HD1 TRP 4 3.415 -6.938 2.205
201 HE1 TRP 4 HE1 TRP 4 1.229 -7.940 3.084
202 HE3 TRP 4 3HE TRP 4 1.889 -3.076 5.186
203 HZ2 TRP 4 HZ2 TRP 4 -0.873 -7.208 4.811
204 HZ3 TRP 4 HZ3 TRP 4 -0.228 -3.311 6.414
205 HH2 TRP 4 2HH TRP 4 -1.576 -5.336 6.224
206 H HIS 5 HN HIS 5 5.216 -6.305 5.774
207 HA HIS 5 HA HIS 5 6.235 -8.239 6.107
208 HB2 HIS 5 HB2 HIS 5 4.544 -8.843 4.312
209 HB3 HIS 5 HB1 HIS 5 5.850 -8.737 3.143
210 HD1 HIS 5 HD1 HIS 5 6.461 -11.104 2.523
211 HD2 HIS 5 HD2 HIS 5 5.709 -10.690 6.583
212 HE1 HIS 5 HE1 HIS 5 6.908 -13.352 3.545
213 H HIS 6 HN HIS 6 8.056 -6.675 6.355
214 HA HIS 6 HA HIS 6 10.288 -6.410 6.499
215 HB2 HIS 6 HB2 HIS 6 10.319 -9.121 5.169
216 HB3 HIS 6 HB1 HIS 6 11.786 -8.296 5.665
217 HD1 HIS 6 HD1 HIS 6 12.605 -9.396 7.764
218 HD2 HIS 6 HD2 HIS 6 8.459 -9.063 7.675
219 HE1 HIS 6 HE1 HIS 6 11.783 -10.335 9.945
220 H SER 7 HN SER 7 8.765 -5.755 3.825
221 HA SER 7 HA SER 7 11.224 -5.211 2.306
222 HB2 SER 7 HB2 SER 7 8.448 -5.669 1.219
223 HB3 SER 7 HB1 SER 7 9.918 -5.456 0.264
224 HG SER 7 HG SER 7 9.450 -7.521 2.139
225 H CYS 8 HN CYS 8 11.565 -3.067 1.833
226 HA CYS 8 HA CYS 8 9.348 -1.219 2.384
227 HB2 CYS 8 HB2 CYS 8 12.277 -0.851 3.021
228 HB3 CYS 8 HB1 CYS 8 11.061 0.411 3.154
229 H VAL 9 HN VAL 9 9.205 0.622 1.181
230 HA VAL 9 HA VAL 9 10.957 0.823 -1.152
231 HB VAL 9 HB VAL 9 9.076 2.013 -2.341
232 HG11 VAL 9 HG11 VAL 9 8.513 -0.801 -1.489
233 HG12 VAL 9 HG12 VAL 9 9.536 -0.301 -2.840
234 HG13 VAL 9 3HG1 VAL 9 7.795 -0.005 -2.887
235 HG21 VAL 9 HG21 VAL 9 7.749 2.676 -0.400
236 HG22 VAL 9 HG22 VAL 9 7.407 0.981 -0.047
237 HG23 VAL 9 HG23 VAL 9 6.776 1.719 -1.520
238 HA PRO 10 HA PRO 10 12.345 4.630 0.366
239 HB2 PRO 10 HB2 PRO 10 12.570 6.102 -1.941
240 HB3 PRO 10 HB1 PRO 10 13.732 4.887 -1.403
241 HG2 PRO 10 HG2 PRO 10 11.484 4.608 -3.362
242 HG3 PRO 10 HG1 PRO 10 13.147 4.006 -3.482
243 HD2 PRO 10 HD2 PRO 10 11.157 2.385 -2.800
244 HD3 PRO 10 HD1 PRO 10 12.744 2.251 -2.014
245 H SER 11 HN SER 11 11.798 6.711 0.878
246 HA SER 11 HA SER 11 9.092 7.424 1.009
247 HB2 SER 11 HB2 SER 11 11.541 9.150 1.348
248 HB3 SER 11 HB1 SER 11 9.958 9.372 2.101
249 HG SER 11 HG SER 11 10.280 7.529 3.312
250 H GLY 12 HN GLY 12 7.856 8.456 -0.472
251 HA2 GLY 12 HA2 GLY 12 7.656 10.297 -2.033
252 HA3 GLY 12 HA1 GLY 12 9.235 9.844 -2.669
253 H THR 13 HN THR 13 8.034 6.964 -2.086
254 HA THR 13 HA THR 13 7.262 6.429 -4.759
255 HB THR 13 HB THR 13 6.889 4.734 -2.267
256 HG1 THR 13 HG1 THR 13 9.030 4.983 -2.476
257 HG21 THR 13 HG21 THR 13 5.496 3.964 -4.144
258 HG22 THR 13 HG22 THR 13 6.813 2.830 -3.838
259 HG23 THR 13 HG23 THR 13 6.911 3.949 -5.194
260 H CYS 14 HN CYS 14 5.307 6.753 -5.639
261 HA CYS 14 HA CYS 14 3.062 7.079 -3.838
262 HB2 CYS 14 HB2 CYS 14 3.306 7.918 -6.739
263 HB3 CYS 14 HB1 CYS 14 1.962 8.291 -5.671
264 H ALA 15 HN ALA 15 1.145 5.754 -4.149
265 HA ALA 15 HA ALA 15 1.475 3.671 -6.161
266 HB1 ALA 15 HB1 ALA 15 0.839 1.964 -4.568
267 HB2 ALA 15 HB2 ALA 15 0.738 3.172 -3.288
268 HB3 ALA 15 HB3 ALA 15 2.295 2.801 -4.032
269 H ASP 16 HN ASP 16 -0.322 2.851 -6.998
270 HA ASP 16 HA ASP 16 -2.781 4.337 -6.610
271 HB2 ASP 16 HB2 ASP 16 -2.149 3.916 -8.897
272 HB3 ASP 16 HB1 ASP 16 -1.946 2.199 -8.581
273 H PHE 17 HN PHE 17 -4.338 3.632 -5.287
274 HA PHE 17 HA PHE 17 -4.494 0.768 -4.692
275 HB2 PHE 17 HB2 PHE 17 -5.021 3.169 -2.948
276 HB3 PHE 17 HB1 PHE 17 -5.653 1.579 -2.568
277 HD1 PHE 17 HD1 PHE 17 -4.138 -0.225 -1.999
278 HD2 PHE 17 HD2 PHE 17 -2.784 3.755 -2.554
279 HE1 PHE 17 HE1 PHE 17 -2.099 -0.774 -0.790
280 HE2 PHE 17 HE2 PHE 17 -0.714 3.225 -1.346
281 HZ PHE 17 HZ PHE 17 -0.373 0.935 -0.448
282 HA PRO 18 HA PRO 18 -8.702 1.229 -6.052
283 HB2 PRO 18 HB2 PRO 18 -9.953 -0.648 -4.524
284 HB3 PRO 18 HB1 PRO 18 -8.958 -1.072 -5.919
285 HG2 PRO 18 HG2 PRO 18 -8.303 -1.178 -3.018
286 HG3 PRO 18 HG1 PRO 18 -7.839 -2.284 -4.321
287 HD2 PRO 18 HD2 PRO 18 -6.196 -0.371 -3.261
288 HD3 PRO 18 HD1 PRO 18 -6.007 -1.017 -4.894
289 H TRP 19 HN TRP 19 -10.900 1.600 -5.061
290 HA TRP 19 HA TRP 19 -10.850 3.691 -3.198
291 HB2 TRP 19 HB2 TRP 19 -12.656 3.216 -4.922
292 HB3 TRP 19 HB1 TRP 19 -13.204 1.896 -3.900
293 HD1 TRP 19 HD1 TRP 19 -12.982 5.723 -3.959
294 HE1 TRP 19 HE1 TRP 19 -14.695 6.670 -2.313
295 HE3 TRP 19 3HE TRP 19 -14.589 1.364 -1.889
296 HZ2 TRP 19 HZ2 TRP 19 -16.516 5.702 -0.403
297 HZ3 TRP 19 HZ3 TRP 19 -16.332 1.451 -0.152
298 HH2 TRP 19 2HH TRP 19 -17.271 3.582 0.578
299 HA PRO 20 HA PRO 20 -11.988 4.524 -1.581
300 HB2 PRO 20 HB2 PRO 20 -11.933 5.271 0.989
301 HB3 PRO 20 HB1 PRO 20 -13.293 4.420 0.258
302 HG2 PRO 20 HG2 PRO 20 -11.327 3.441 2.207
303 HG3 PRO 20 HG1 PRO 20 -12.914 2.792 1.780
304 HD2 PRO 20 HD2 PRO 20 -10.299 1.936 0.862
305 HD3 PRO 20 HD1 PRO 20 -11.877 1.185 0.565
306 H LEU 21 HN LEU 21 -9.012 3.242 -1.038
307 HA LEU 21 HA LEU 21 -7.738 5.545 0.122
308 HB2 LEU 21 HB2 LEU 21 -6.593 3.116 -1.224
309 HB3 LEU 21 HB1 LEU 21 -5.581 4.472 -0.801
310 HG LEU 21 HG LEU 21 -6.276 4.121 1.582
311 HD11 LEU 21 HD11 LEU 21 -7.334 1.550 0.479
312 HD12 LEU 21 HD12 LEU 21 -8.294 2.842 1.220
313 HD13 LEU 21 HD13 LEU 21 -7.128 1.928 2.190
314 HD21 LEU 21 HD21 LEU 21 -4.779 2.215 1.919
315 HD22 LEU 21 HD22 LEU 21 -4.130 3.400 0.786
316 HD23 LEU 21 HD23 LEU 21 -4.825 1.894 0.186
317 H GLY 22 HN GLY 22 -7.861 4.195 -3.123
318 HA2 GLY 22 HA2 GLY 22 -7.731 5.294 -5.154
319 HA3 GLY 22 HA1 GLY 22 -7.687 6.828 -4.276
320 H HIS 23 HN HIS 23 -5.897 7.670 -5.411
321 HA HIS 23 HA HIS 23 -3.490 6.071 -5.383
322 HB2 HIS 23 HB2 HIS 23 -4.173 7.651 -7.310
323 HB3 HIS 23 HB1 HIS 23 -3.668 8.958 -6.248
324 HD1 HIS 23 HD1 HIS 23 -2.368 6.718 -8.775
325 HD2 HIS 23 HD2 HIS 23 -0.845 8.651 -5.433
326 HE1 HIS 23 HE1 HIS 23 0.139 6.652 -9.008
327 H GLN 24 HN GLN 24 -2.263 6.016 -3.668
328 HA GLN 24 HA GLN 24 -2.201 8.349 -1.902
329 HB2 GLN 24 HB2 GLN 24 -2.118 5.419 -1.186
330 HB3 GLN 24 HB1 GLN 24 -1.652 6.695 -0.071
331 HG2 GLN 24 HG2 GLN 24 -4.359 6.376 -1.342
332 HG3 GLN 24 HG1 GLN 24 -3.940 5.956 0.322
333 HE21 GLN 24 1HE2 GLN 24 -5.887 7.879 -0.707
334 HE22 GLN 24 2HE2 GLN 24 -5.445 9.399 -0.011
335 H CYS 25 HN CYS 25 -0.257 9.172 -1.512
336 HA CYS 25 HA CYS 25 1.922 7.599 -2.555
337 HB2 CYS 25 HB2 CYS 25 1.510 9.827 -3.646
338 HB3 CYS 25 HB1 CYS 25 1.894 10.591 -2.106
339 H PHE 26 HN PHE 26 3.872 7.471 -1.335
340 HA PHE 26 HA PHE 26 3.322 7.730 1.533
341 HB2 PHE 26 HB2 PHE 26 5.338 5.965 0.149
342 HB3 PHE 26 HB1 PHE 26 4.911 5.944 1.852
343 HD1 PHE 26 HD1 PHE 26 2.507 5.327 2.441
344 HD2 PHE 26 HD2 PHE 26 4.255 4.613 -1.359
345 HE1 PHE 26 HE1 PHE 26 0.805 3.621 1.982
346 HE2 PHE 26 HE2 PHE 26 2.564 2.916 -1.828
347 HZ PHE 26 HZ PHE 26 0.832 2.415 -0.153
348 HA PRO 27 HA PRO 27 6.636 10.840 0.872
349 HB2 PRO 27 HB2 PRO 27 5.659 11.958 3.394
350 HB3 PRO 27 HB1 PRO 27 5.726 12.718 1.803
351 HG2 PRO 27 HG2 PRO 27 3.389 12.029 2.980
352 HG3 PRO 27 HG1 PRO 27 3.619 12.003 1.224
353 HD2 PRO 27 HD2 PRO 27 3.653 9.736 3.174
354 HD3 PRO 27 HD1 PRO 27 2.937 9.822 1.548
355 H ASP 28 HN ASP 28 5.672 8.993 3.596
356 HA ASP 28 HA ASP 28 8.156 9.223 5.061
357 HB2 ASP 28 HB2 ASP 28 5.741 7.434 5.433
358 HB3 ASP 28 HB1 ASP 28 7.108 7.511 6.531
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 -6.256 -7.452 4.174
2 HA2 GLY 1 HA2 GLY 1 -7.162 -5.608 3.110
3 HA3 GLY 1 HA1 GLY 1 -7.839 -5.081 4.648
4 H PHE 2 HN PHE 2 -6.752 -3.197 3.172
5 HA PHE 2 HA PHE 2 -4.202 -2.720 4.538
6 HB2 PHE 2 HB2 PHE 2 -3.713 -3.133 2.170
7 HB3 PHE 2 HB1 PHE 2 -4.853 -1.884 1.698
8 HD1 PHE 2 HD1 PHE 2 -3.983 0.171 1.139
9 HD2 PHE 2 HD2 PHE 2 -1.844 -2.277 3.877
10 HE1 PHE 2 HE1 PHE 2 -2.181 1.840 1.216
11 HE2 PHE 2 HE2 PHE 2 -0.038 -0.613 3.959
12 HZ PHE 2 HZ PHE 2 -0.203 1.449 2.628
13 H CYS 3 HN CYS 3 -4.157 -0.984 5.699
14 HA CYS 3 HA CYS 3 -6.270 0.989 5.317
15 HB2 CYS 3 HB2 CYS 3 -4.964 0.075 7.878
16 HB3 CYS 3 HB1 CYS 3 -6.147 1.369 7.743
17 H TRP 4 HN TRP 4 -5.611 2.931 4.917
18 HA TRP 4 HA TRP 4 -3.211 3.989 6.010
19 HB2 TRP 4 HB2 TRP 4 -2.455 2.764 3.934
20 HB3 TRP 4 HB1 TRP 4 -3.516 3.797 2.993
21 HD1 TRP 4 HD1 TRP 4 -2.670 6.305 2.550
22 HE1 TRP 4 HE1 TRP 4 -0.401 7.453 2.842
23 HE3 TRP 4 3HE TRP 4 -0.370 2.773 5.444
24 HZ2 TRP 4 HZ2 TRP 4 2.065 6.928 4.148
25 HZ3 TRP 4 HZ3 TRP 4 1.947 3.172 6.169
26 HH2 TRP 4 2HH TRP 4 3.135 5.204 5.532
27 H HIS 5 HN HIS 5 -3.455 6.200 6.143
28 HA HIS 5 HA HIS 5 -4.431 8.247 6.108
29 HB2 HIS 5 HB2 HIS 5 -4.136 7.952 3.605
30 HB3 HIS 5 HB1 HIS 5 -5.766 7.307 3.531
31 HD1 HIS 5 HD1 HIS 5 -7.195 9.071 2.450
32 HD2 HIS 5 HD2 HIS 5 -4.433 10.666 5.107
33 HE1 HIS 5 HE1 HIS 5 -7.584 11.553 2.444
34 H HIS 6 HN HIS 6 -5.661 5.835 7.284
35 HA HIS 6 HA HIS 6 -7.318 5.319 8.652
36 HB2 HIS 6 HB2 HIS 6 -8.470 8.051 8.013
37 HB3 HIS 6 HB1 HIS 6 -9.143 6.956 9.214
38 HD1 HIS 6 HD1 HIS 6 -7.786 6.685 11.449
39 HD2 HIS 6 HD2 HIS 6 -6.159 9.385 8.751
40 HE1 HIS 6 HE1 HIS 6 -6.031 7.964 12.723
41 H SER 7 HN SER 7 -7.491 5.193 5.559
42 HA SER 7 HA SER 7 -10.258 4.240 5.498
43 HB2 SER 7 HB2 SER 7 -8.405 5.165 3.306
44 HB3 SER 7 HB1 SER 7 -10.020 4.543 2.995
45 HG SER 7 HG SER 7 -10.018 6.462 4.906
46 H CYS 8 HN CYS 8 -10.573 2.105 4.542
47 HA CYS 8 HA CYS 8 -8.087 0.549 4.293
48 HB2 CYS 8 HB2 CYS 8 -10.576 -0.333 5.741
49 HB3 CYS 8 HB1 CYS 8 -9.127 -1.293 5.495
50 H VAL 9 HN VAL 9 -8.057 -0.804 2.631
51 HA VAL 9 HA VAL 9 -10.517 -1.213 1.145
52 HB VAL 9 HB VAL 9 -9.109 -2.506 -0.511
53 HG11 VAL 9 HG11 VAL 9 -7.949 -0.581 -1.448
54 HG12 VAL 9 HG12 VAL 9 -8.127 0.259 0.091
55 HG13 VAL 9 3HG1 VAL 9 -9.558 -0.143 -0.862
56 HG21 VAL 9 HG21 VAL 9 -6.818 -1.569 1.209
57 HG22 VAL 9 HG22 VAL 9 -6.658 -2.348 -0.368
58 HG23 VAL 9 HG23 VAL 9 -7.332 -3.242 0.997
59 HA PRO 10 HA PRO 10 -11.592 -4.892 3.203
60 HB2 PRO 10 HB2 PRO 10 -12.215 -6.177 0.615
61 HB3 PRO 10 HB1 PRO 10 -13.274 -5.844 1.989
62 HG2 PRO 10 HG2 PRO 10 -13.462 -4.425 -0.254
63 HG3 PRO 10 HG1 PRO 10 -13.657 -3.664 1.334
64 HD2 PRO 10 HD2 PRO 10 -11.294 -3.642 -0.499
65 HD3 PRO 10 HD1 PRO 10 -11.992 -2.320 0.460
66 H SER 11 HN SER 11 -10.990 -6.996 3.675
67 HA SER 11 HA SER 11 -8.396 -7.792 3.075
68 HB2 SER 11 HB2 SER 11 -10.707 -9.420 4.138
69 HB3 SER 11 HB1 SER 11 -8.984 -9.712 4.404
70 HG SER 11 HG SER 11 -10.177 -8.593 6.109
71 H GLY 12 HN GLY 12 -7.636 -8.951 1.384
72 HA2 GLY 12 HA2 GLY 12 -7.940 -10.867 -0.101
73 HA3 GLY 12 HA1 GLY 12 -9.592 -10.307 -0.355
74 H THR 13 HN THR 13 -8.291 -7.517 -0.229
75 HA THR 13 HA THR 13 -8.128 -7.114 -3.040
76 HB THR 13 HB THR 13 -7.297 -5.234 -0.810
77 HG1 THR 13 HG1 THR 13 -9.363 -5.559 -0.377
78 HG21 THR 13 HG21 THR 13 -6.550 -4.548 -3.055
79 HG22 THR 13 HG22 THR 13 -7.794 -3.470 -2.423
80 HG23 THR 13 HG23 THR 13 -8.210 -4.675 -3.642
81 H CYS 14 HN CYS 14 -6.340 -7.327 -4.300
82 HA CYS 14 HA CYS 14 -3.795 -7.497 -2.942
83 HB2 CYS 14 HB2 CYS 14 -4.508 -8.351 -5.762
84 HB3 CYS 14 HB1 CYS 14 -2.966 -8.615 -4.959
85 H ALA 15 HN ALA 15 -1.953 -6.302 -3.856
86 HA ALA 15 HA ALA 15 -2.551 -4.137 -5.675
87 HB1 ALA 15 HB1 ALA 15 -1.754 -3.654 -2.821
88 HB2 ALA 15 HB2 ALA 15 -3.315 -3.229 -3.533
89 HB3 ALA 15 HB3 ALA 15 -1.836 -2.419 -4.069
90 H ASP 16 HN ASP 16 -0.705 -3.574 -6.736
91 HA ASP 16 HA ASP 16 1.708 -4.964 -5.873
92 HB2 ASP 16 HB2 ASP 16 2.600 -4.713 -8.084
93 HB3 ASP 16 HB1 ASP 16 0.943 -5.269 -8.249
94 H PHE 17 HN PHE 17 3.612 -4.019 -5.589
95 HA PHE 17 HA PHE 17 3.725 -1.095 -5.350
96 HB2 PHE 17 HB2 PHE 17 4.665 -3.217 -3.403
97 HB3 PHE 17 HB1 PHE 17 5.206 -1.550 -3.329
98 HD1 PHE 17 HD1 PHE 17 3.865 0.109 -2.343
99 HD2 PHE 17 HD2 PHE 17 2.310 -3.796 -2.961
100 HE1 PHE 17 HE1 PHE 17 1.964 0.645 -0.894
101 HE2 PHE 17 HE2 PHE 17 0.397 -3.268 -1.523
102 HZ PHE 17 HZ PHE 17 0.222 -1.034 -0.483
103 HA PRO 18 HA PRO 18 7.679 -1.647 -7.455
104 HB2 PRO 18 HB2 PRO 18 8.900 0.116 -5.406
105 HB3 PRO 18 HB1 PRO 18 8.866 0.312 -7.162
106 HG2 PRO 18 HG2 PRO 18 7.356 1.853 -5.633
107 HG3 PRO 18 HG1 PRO 18 6.703 1.186 -7.141
108 HD2 PRO 18 HD2 PRO 18 6.276 0.248 -4.326
109 HD3 PRO 18 HD1 PRO 18 5.090 0.466 -5.633
110 H TRP 19 HN TRP 19 9.950 -2.278 -7.016
111 HA TRP 19 HA TRP 19 10.282 -4.447 -5.259
112 HB2 TRP 19 HB2 TRP 19 11.617 -4.374 -7.223
113 HB3 TRP 19 HB1 TRP 19 12.144 -2.733 -6.898
114 HD1 TRP 19 HD1 TRP 19 13.811 -2.449 -5.046
115 HE1 TRP 19 HE1 TRP 19 15.839 -3.886 -4.207
116 HE3 TRP 19 3HE TRP 19 12.241 -6.859 -6.765
117 HZ2 TRP 19 HZ2 TRP 19 16.556 -6.613 -4.284
118 HZ3 TRP 19 HZ3 TRP 19 13.577 -8.852 -6.311
119 HH2 TRP 19 2HH TRP 19 15.690 -8.746 -5.119
120 HA PRO 20 HA PRO 20 11.827 -5.458 -4.232
121 HB2 PRO 20 HB2 PRO 20 11.896 -6.122 -1.362
122 HB3 PRO 20 HB1 PRO 20 13.094 -6.448 -2.624
123 HG2 PRO 20 HG2 PRO 20 13.609 -4.605 -0.848
124 HG3 PRO 20 HG1 PRO 20 13.889 -4.362 -2.602
125 HD2 PRO 20 HD2 PRO 20 11.439 -3.458 -1.037
126 HD3 PRO 20 HD1 PRO 20 12.575 -2.423 -1.944
127 H LEU 21 HN LEU 21 9.063 -4.183 -3.311
128 HA LEU 21 HA LEU 21 7.805 -6.404 -1.981
129 HB2 LEU 21 HB2 LEU 21 6.688 -3.826 -3.069
130 HB3 LEU 21 HB1 LEU 21 5.667 -5.081 -2.409
131 HG LEU 21 HG LEU 21 5.912 -3.382 -0.775
132 HD11 LEU 21 HD11 LEU 21 6.929 -4.570 1.095
133 HD12 LEU 21 HD12 LEU 21 7.598 -5.740 -0.037
134 HD13 LEU 21 HD13 LEU 21 5.849 -5.571 0.127
135 HD21 LEU 21 HD21 LEU 21 8.905 -3.680 -1.010
136 HD22 LEU 21 HD22 LEU 21 8.049 -2.640 0.136
137 HD23 LEU 21 HD23 LEU 21 7.944 -2.325 -1.597
138 H GLY 22 HN GLY 22 6.925 -4.762 -4.998
139 HA2 GLY 22 HA2 GLY 22 6.415 -5.763 -7.041
140 HA3 GLY 22 HA1 GLY 22 6.653 -7.347 -6.291
141 H HIS 23 HN HIS 23 4.687 -8.222 -6.928
142 HA HIS 23 HA HIS 23 2.301 -6.784 -6.251
143 HB2 HIS 23 HB2 HIS 23 1.037 -8.767 -7.103
144 HB3 HIS 23 HB1 HIS 23 2.175 -8.126 -8.262
145 HD1 HIS 23 HD1 HIS 23 4.079 -9.705 -9.033
146 HD2 HIS 23 HD2 HIS 23 1.631 -11.333 -6.099
147 HE1 HIS 23 HE1 HIS 23 4.637 -12.148 -8.936
148 H GLN 24 HN GLN 24 1.357 -6.706 -4.372
149 HA GLN 24 HA GLN 24 1.902 -8.814 -2.399
150 HB2 GLN 24 HB2 GLN 24 1.317 -5.867 -1.991
151 HB3 GLN 24 HB1 GLN 24 1.497 -7.038 -0.700
152 HG2 GLN 24 HG2 GLN 24 3.652 -6.252 -2.657
153 HG3 GLN 24 HG1 GLN 24 3.491 -5.632 -1.016
154 HE21 GLN 24 1HE2 GLN 24 2.698 -8.227 0.088
155 HE22 GLN 24 2HE2 GLN 24 4.095 -9.211 0.089
156 H CYS 25 HN CYS 25 0.020 -9.111 -0.872
157 HA CYS 25 HA CYS 25 -2.417 -7.998 -1.879
158 HB2 CYS 25 HB2 CYS 25 -2.083 -10.269 -2.966
159 HB3 CYS 25 HB1 CYS 25 -2.220 -10.977 -1.358
160 H PHE 26 HN PHE 26 -4.075 -7.877 -0.281
161 HA PHE 26 HA PHE 26 -2.857 -8.053 2.368
162 HB2 PHE 26 HB2 PHE 26 -4.925 -6.132 1.330
163 HB3 PHE 26 HB1 PHE 26 -4.320 -6.162 2.980
164 HD1 PHE 26 HD1 PHE 26 -1.784 -5.878 3.283
165 HD2 PHE 26 HD2 PHE 26 -3.864 -4.853 -0.280
166 HE1 PHE 26 HE1 PHE 26 0.062 -4.402 2.637
167 HE2 PHE 26 HE2 PHE 26 -2.021 -3.369 -0.927
168 HZ PHE 26 HZ PHE 26 -0.048 -3.148 0.534
169 HA PRO 27 HA PRO 27 -6.302 -10.991 2.885
170 HB2 PRO 27 HB2 PRO 27 -5.180 -12.393 4.887
171 HB3 PRO 27 HB1 PRO 27 -4.683 -12.612 3.207
172 HG2 PRO 27 HG2 PRO 27 -3.370 -11.015 5.366
173 HG3 PRO 27 HG1 PRO 27 -2.632 -12.113 4.186
174 HD2 PRO 27 HD2 PRO 27 -2.647 -9.415 3.908
175 HD3 PRO 27 HD1 PRO 27 -2.646 -10.522 2.523
176 H ASP 28 HN ASP 28 -4.893 -8.697 4.984
177 HA ASP 28 HA ASP 28 -7.172 -8.909 6.849
178 HB2 ASP 28 HB2 ASP 28 -4.860 -9.199 7.837
179 HB3 ASP 28 HB1 ASP 28 -4.478 -7.575 7.294
180 H1 GLY 1 HN GLY 1 7.438 7.465 2.503
181 HA2 GLY 1 HA2 GLY 1 8.082 5.616 1.248
182 HA3 GLY 1 HA1 GLY 1 9.309 5.250 2.457
183 H PHE 2 HN PHE 2 8.236 3.074 1.952
184 HA PHE 2 HA PHE 2 6.216 2.626 4.002
185 HB2 PHE 2 HB2 PHE 2 4.908 3.011 1.976
186 HB3 PHE 2 HB1 PHE 2 5.866 1.836 1.099
187 HD1 PHE 2 HD1 PHE 2 5.028 -0.295 0.852
188 HD2 PHE 2 HD2 PHE 2 3.692 2.088 4.119
189 HE1 PHE 2 HE1 PHE 2 3.407 -2.033 1.451
190 HE2 PHE 2 HE2 PHE 2 2.070 0.343 4.728
191 HZ PHE 2 HZ PHE 2 1.926 -1.722 3.391
192 H CYS 3 HN CYS 3 6.400 0.653 4.939
193 HA CYS 3 HA CYS 3 8.364 -1.179 3.808
194 HB2 CYS 3 HB2 CYS 3 8.013 -0.419 6.714
195 HB3 CYS 3 HB1 CYS 3 9.054 -1.705 6.116
196 H TRP 4 HN TRP 4 7.664 -3.160 3.642
197 HA TRP 4 HA TRP 4 5.539 -4.147 5.342
198 HB2 TRP 4 HB2 TRP 4 4.436 -3.110 3.379
199 HB3 TRP 4 HB1 TRP 4 5.382 -4.112 2.305
200 HD1 TRP 4 HD1 TRP 4 4.475 -6.588 1.899
201 HE1 TRP 4 HE1 TRP 4 2.291 -7.791 2.578
202 HE3 TRP 4 3HE TRP 4 2.721 -3.239 5.338
203 HZ2 TRP 4 HZ2 TRP 4 0.140 -7.383 4.331
204 HZ3 TRP 4 HZ3 TRP 4 0.591 -3.718 6.467
205 HH2 TRP 4 2HH TRP 4 -0.670 -5.744 5.970
206 H HIS 5 HN HIS 5 6.186 -6.113 5.983
207 HA HIS 5 HA HIS 5 7.332 -8.040 6.181
208 HB2 HIS 5 HB2 HIS 5 7.137 -8.008 3.156
209 HB3 HIS 5 HB1 HIS 5 7.781 -9.372 4.063
210 HD1 HIS 5 HD1 HIS 5 5.202 -9.610 2.287
211 HD2 HIS 5 HD2 HIS 5 5.261 -8.941 6.386
212 HE1 HIS 5 HE1 HIS 5 2.959 -10.373 3.162
213 H HIS 6 HN HIS 6 8.718 -5.641 6.221
214 HA HIS 6 HA HIS 6 10.757 -4.897 6.628
215 HB2 HIS 6 HB2 HIS 6 11.733 -7.694 5.987
216 HB3 HIS 6 HB1 HIS 6 12.732 -6.415 6.676
217 HD1 HIS 6 HD1 HIS 6 12.244 -5.772 9.209
218 HD2 HIS 6 HD2 HIS 6 9.990 -8.932 7.724
219 HE1 HIS 6 HE1 HIS 6 11.087 -6.803 11.181
220 H SER 7 HN SER 7 9.624 -5.407 3.762
221 HA SER 7 HA SER 7 12.012 -4.568 2.337
222 HB2 SER 7 HB2 SER 7 9.235 -5.197 1.326
223 HB3 SER 7 HB1 SER 7 10.697 -5.009 0.351
224 HG SER 7 HG SER 7 11.163 -6.815 2.245
225 H CYS 8 HN CYS 8 12.250 -2.409 1.935
226 HA CYS 8 HA CYS 8 9.916 -0.708 2.467
227 HB2 CYS 8 HB2 CYS 8 12.817 -0.133 3.056
228 HB3 CYS 8 HB1 CYS 8 11.491 0.999 3.281
229 H VAL 9 HN VAL 9 9.453 0.878 1.113
230 HA VAL 9 HA VAL 9 11.176 1.240 -1.231
231 HB VAL 9 HB VAL 9 9.218 2.285 -2.368
232 HG11 VAL 9 HG11 VAL 9 9.569 -0.089 -2.669
233 HG12 VAL 9 HG12 VAL 9 7.842 0.278 -2.646
234 HG13 VAL 9 3HG1 VAL 9 8.619 -0.420 -1.223
235 HG21 VAL 9 HG21 VAL 9 7.691 1.536 0.120
236 HG22 VAL 9 HG22 VAL 9 6.973 2.148 -1.372
237 HG23 VAL 9 HG23 VAL 9 8.047 3.176 -0.419
238 HA PRO 10 HA PRO 10 12.596 5.094 0.236
239 HB2 PRO 10 HB2 PRO 10 12.701 6.553 -2.085
240 HB3 PRO 10 HB1 PRO 10 13.903 5.350 -1.603
241 HG2 PRO 10 HG2 PRO 10 11.580 5.073 -3.461
242 HG3 PRO 10 HG1 PRO 10 13.236 4.464 -3.645
243 HD2 PRO 10 HD2 PRO 10 11.249 2.857 -2.879
244 HD3 PRO 10 HD1 PRO 10 12.876 2.693 -2.182
245 H SER 11 HN SER 11 12.153 7.281 0.582
246 HA SER 11 HA SER 11 9.456 7.904 1.048
247 HB2 SER 11 HB2 SER 11 11.887 9.690 1.047
248 HB3 SER 11 HB1 SER 11 10.373 9.953 1.911
249 HG SER 11 HG SER 11 11.763 9.087 3.362
250 H GLY 12 HN GLY 12 8.030 8.709 -0.359
251 HA2 GLY 12 HA2 GLY 12 7.502 10.539 -1.834
252 HA3 GLY 12 HA1 GLY 12 9.070 10.298 -2.600
253 H THR 13 HN THR 13 8.101 7.287 -2.003
254 HA THR 13 HA THR 13 7.283 6.791 -4.674
255 HB THR 13 HB THR 13 7.058 4.999 -2.227
256 HG1 THR 13 HG1 THR 13 9.197 5.412 -2.473
257 HG21 THR 13 HG21 THR 13 7.097 4.307 -5.176
258 HG22 THR 13 HG22 THR 13 5.686 4.233 -4.122
259 HG23 THR 13 HG23 THR 13 7.050 3.150 -3.845
260 H CYS 14 HN CYS 14 5.282 7.180 -5.457
261 HA CYS 14 HA CYS 14 3.070 7.172 -3.562
262 HB2 CYS 14 HB2 CYS 14 3.106 8.409 -6.333
263 HB3 CYS 14 HB1 CYS 14 1.858 8.599 -5.117
264 H ALA 15 HN ALA 15 0.950 6.232 -4.465
265 HA ALA 15 HA ALA 15 1.272 4.360 -6.626
266 HB1 ALA 15 HB1 ALA 15 0.729 2.387 -5.274
267 HB2 ALA 15 HB2 ALA 15 0.795 3.365 -3.810
268 HB3 ALA 15 HB3 ALA 15 2.255 3.110 -4.764
269 H ASP 16 HN ASP 16 -0.710 3.490 -7.304
270 HA ASP 16 HA ASP 16 -3.050 4.992 -6.425
271 HB2 ASP 16 HB2 ASP 16 -4.160 4.078 -8.433
272 HB3 ASP 16 HB1 ASP 16 -2.660 4.886 -8.862
273 H PHE 17 HN PHE 17 -4.838 4.019 -5.572
274 HA PHE 17 HA PHE 17 -4.685 1.173 -4.987
275 HB2 PHE 17 HB2 PHE 17 -5.137 3.427 -3.032
276 HB3 PHE 17 HB1 PHE 17 -5.562 1.757 -2.685
277 HD1 PHE 17 HD1 PHE 17 -3.829 0.084 -2.415
278 HD2 PHE 17 HD2 PHE 17 -2.890 4.181 -2.987
279 HE1 PHE 17 HE1 PHE 17 -1.550 -0.337 -1.611
280 HE2 PHE 17 HE2 PHE 17 -0.603 3.777 -2.181
281 HZ PHE 17 HZ PHE 17 0.068 1.508 -1.499
282 HA PRO 18 HA PRO 18 -9.066 1.245 -5.881
283 HB2 PRO 18 HB2 PRO 18 -9.568 -0.573 -3.625
284 HB3 PRO 18 HB1 PRO 18 -9.758 -0.870 -5.354
285 HG2 PRO 18 HG2 PRO 18 -7.813 -2.042 -3.936
286 HG3 PRO 18 HG1 PRO 18 -7.579 -1.542 -5.618
287 HD2 PRO 18 HD2 PRO 18 -6.702 -0.179 -3.101
288 HD3 PRO 18 HD1 PRO 18 -5.814 -0.439 -4.616
289 H TRP 19 HN TRP 19 -11.202 1.543 -4.788
290 HA TRP 19 HA TRP 19 -11.273 3.765 -3.067
291 HB2 TRP 19 HB2 TRP 19 -13.084 3.063 -4.656
292 HB3 TRP 19 HB1 TRP 19 -13.418 1.679 -3.628
293 HD1 TRP 19 HD1 TRP 19 -13.983 5.420 -3.901
294 HE1 TRP 19 HE1 TRP 19 -15.690 6.143 -2.112
295 HE3 TRP 19 3HE TRP 19 -14.317 1.066 -1.274
296 HZ2 TRP 19 HZ2 TRP 19 -17.001 5.014 0.114
297 HZ3 TRP 19 HZ3 TRP 19 -15.800 0.972 0.665
298 HH2 TRP 19 2HH TRP 19 -17.124 2.905 1.348
299 HA PRO 20 HA PRO 20 -12.212 4.667 -1.407
300 HB2 PRO 20 HB2 PRO 20 -12.027 5.388 1.245
301 HB3 PRO 20 HB1 PRO 20 -13.472 4.739 0.470
302 HG2 PRO 20 HG2 PRO 20 -11.870 3.495 2.494
303 HG3 PRO 20 HG1 PRO 20 -13.281 2.825 1.667
304 HD2 PRO 20 HD2 PRO 20 -10.394 2.406 1.124
305 HD3 PRO 20 HD1 PRO 20 -11.771 1.324 0.821
306 H LEU 21 HN LEU 21 -9.338 3.419 -1.100
307 HA LEU 21 HA LEU 21 -7.819 5.467 0.209
308 HB2 LEU 21 HB2 LEU 21 -6.887 3.300 -1.667
309 HB3 LEU 21 HB1 LEU 21 -5.864 4.259 -0.616
310 HG LEU 21 HG LEU 21 -7.906 2.218 0.230
311 HD11 LEU 21 HD11 LEU 21 -5.988 1.024 1.115
312 HD12 LEU 21 HD12 LEU 21 -4.911 2.242 0.426
313 HD13 LEU 21 HD13 LEU 21 -5.889 1.217 -0.636
314 HD21 LEU 21 HD21 LEU 21 -6.111 3.942 1.909
315 HD22 LEU 21 HD22 LEU 21 -7.088 2.594 2.496
316 HD23 LEU 21 HD23 LEU 21 -7.870 4.014 1.803
317 H GLY 22 HN GLY 22 -8.003 4.395 -3.182
318 HA2 GLY 22 HA2 GLY 22 -8.058 5.671 -5.108
319 HA3 GLY 22 HA1 GLY 22 -8.081 7.121 -4.117
320 H HIS 23 HN HIS 23 -6.355 8.353 -4.538
321 HA HIS 23 HA HIS 23 -3.899 6.986 -5.358
322 HB2 HIS 23 HB2 HIS 23 -4.718 9.881 -5.725
323 HB3 HIS 23 HB1 HIS 23 -3.133 9.248 -6.146
324 HD1 HIS 23 HD1 HIS 23 -2.936 7.972 -8.409
325 HD2 HIS 23 HD2 HIS 23 -6.836 9.015 -7.374
326 HE1 HIS 23 HE1 HIS 23 -4.330 7.566 -10.450
327 H GLN 24 HN GLN 24 -2.467 6.657 -3.848
328 HA GLN 24 HA GLN 24 -2.337 8.594 -1.655
329 HB2 GLN 24 HB2 GLN 24 -2.037 5.600 -1.537
330 HB3 GLN 24 HB1 GLN 24 -1.595 6.667 -0.217
331 HG2 GLN 24 HG2 GLN 24 -3.927 7.474 -0.128
332 HG3 GLN 24 HG1 GLN 24 -4.343 6.328 -1.398
333 HE21 GLN 24 1HE2 GLN 24 -2.599 4.241 -0.338
334 HE22 GLN 24 2HE2 GLN 24 -3.402 3.655 1.082
335 H CYS 25 HN CYS 25 -0.187 8.575 -0.532
336 HA CYS 25 HA CYS 25 1.935 7.656 -2.205
337 HB2 CYS 25 HB2 CYS 25 1.390 9.947 -3.062
338 HB3 CYS 25 HB1 CYS 25 1.759 10.589 -1.466
339 H PHE 26 HN PHE 26 3.961 7.564 -1.118
340 HA PHE 26 HA PHE 26 3.611 7.529 1.782
341 HB2 PHE 26 HB2 PHE 26 5.498 5.925 0.043
342 HB3 PHE 26 HB1 PHE 26 5.318 5.757 1.782
343 HD1 PHE 26 HD1 PHE 26 3.017 5.060 2.650
344 HD2 PHE 26 HD2 PHE 26 4.190 4.658 -1.413
345 HE1 PHE 26 HE1 PHE 26 1.250 3.392 2.312
346 HE2 PHE 26 HE2 PHE 26 2.421 2.985 -1.762
347 HZ PHE 26 HZ PHE 26 0.944 2.355 0.118
348 HA PRO 27 HA PRO 27 6.590 10.982 1.113
349 HB2 PRO 27 HB2 PRO 27 5.818 11.641 3.881
350 HB3 PRO 27 HB1 PRO 27 5.742 12.646 2.431
351 HG2 PRO 27 HG2 PRO 27 3.517 11.683 3.560
352 HG3 PRO 27 HG1 PRO 27 3.677 11.810 1.799
353 HD2 PRO 27 HD2 PRO 27 3.991 9.404 3.556
354 HD3 PRO 27 HD1 PRO 27 3.135 9.563 2.005
355 H ASP 28 HN ASP 28 6.375 8.768 3.846
356 HA ASP 28 HA ASP 28 9.255 9.227 4.307
357 HB2 ASP 28 HB2 ASP 28 9.043 8.287 6.523
358 HB3 ASP 28 HB1 ASP 28 7.760 9.471 6.334
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 -6.032 -7.788 4.711
2 HA2 GLY 1 HA2 GLY 1 -7.103 -6.043 3.614
3 HA3 GLY 1 HA1 GLY 1 -7.841 -5.575 5.150
4 H PHE 2 HN PHE 2 -7.163 -3.376 4.390
5 HA PHE 2 HA PHE 2 -4.679 -2.758 5.666
6 HB2 PHE 2 HB2 PHE 2 -3.966 -3.441 3.370
7 HB3 PHE 2 HB1 PHE 2 -4.957 -2.148 2.716
8 HD1 PHE 2 HD1 PHE 2 -3.932 -0.152 2.238
9 HD2 PHE 2 HD2 PHE 2 -2.224 -2.682 5.186
10 HE1 PHE 2 HE1 PHE 2 -2.027 1.380 2.445
11 HE2 PHE 2 HE2 PHE 2 -0.316 -1.153 5.402
12 HZ PHE 2 HZ PHE 2 -0.217 0.882 4.027
13 H CYS 3 HN CYS 3 -4.730 -0.756 6.454
14 HA CYS 3 HA CYS 3 -6.867 1.027 5.567
15 HB2 CYS 3 HB2 CYS 3 -5.778 0.548 8.340
16 HB3 CYS 3 HB1 CYS 3 -6.830 1.891 7.924
17 H TRP 4 HN TRP 4 -6.208 2.943 4.933
18 HA TRP 4 HA TRP 4 -3.827 4.157 5.935
19 HB2 TRP 4 HB2 TRP 4 -3.077 2.508 4.135
20 HB3 TRP 4 HB1 TRP 4 -3.972 3.485 2.996
21 HD1 TRP 4 HD1 TRP 4 -2.907 5.794 2.258
22 HE1 TRP 4 HE1 TRP 4 -0.538 6.789 2.516
23 HE3 TRP 4 3HE TRP 4 -1.051 2.600 5.790
24 HZ2 TRP 4 HZ2 TRP 4 1.786 6.289 4.009
25 HZ3 TRP 4 HZ3 TRP 4 1.267 2.932 6.575
26 HH2 TRP 4 2HH TRP 4 2.644 4.735 5.701
27 H HIS 5 HN HIS 5 -4.124 6.288 5.824
28 HA HIS 5 HA HIS 5 -5.257 8.197 5.781
29 HB2 HIS 5 HB2 HIS 5 -4.007 8.351 3.637
30 HB3 HIS 5 HB1 HIS 5 -5.390 7.667 2.796
31 HD1 HIS 5 HD1 HIS 5 -6.865 9.418 1.738
32 HD2 HIS 5 HD2 HIS 5 -4.873 10.845 5.088
33 HE1 HIS 5 HE1 HIS 5 -7.501 11.838 1.941
34 H HIS 6 HN HIS 6 -6.879 6.818 6.898
35 HA HIS 6 HA HIS 6 -9.018 6.643 7.590
36 HB2 HIS 6 HB2 HIS 6 -9.558 8.750 5.484
37 HB3 HIS 6 HB1 HIS 6 -10.683 8.272 6.745
38 HD1 HIS 6 HD1 HIS 6 -10.203 9.180 9.149
39 HD2 HIS 6 HD2 HIS 6 -7.455 10.379 6.279
40 HE1 HIS 6 HE1 HIS 6 -8.861 11.039 10.198
41 H SER 7 HN SER 7 -8.055 5.091 5.114
42 HA SER 7 HA SER 7 -10.726 4.286 4.196
43 HB2 SER 7 HB2 SER 7 -8.258 4.476 2.470
44 HB3 SER 7 HB1 SER 7 -9.910 4.140 1.946
45 HG SER 7 HG SER 7 -9.051 6.493 3.226
46 H CYS 8 HN CYS 8 -11.015 2.061 4.153
47 HA CYS 8 HA CYS 8 -8.629 0.418 4.576
48 HB2 CYS 8 HB2 CYS 8 -11.301 0.104 5.942
49 HB3 CYS 8 HB1 CYS 8 -9.959 -1.022 6.067
50 H VAL 9 HN VAL 9 -8.480 -1.308 3.361
51 HA VAL 9 HA VAL 9 -10.771 -2.045 1.689
52 HB VAL 9 HB VAL 9 -9.117 -3.262 0.234
53 HG11 VAL 9 HG11 VAL 9 -8.624 -0.326 0.625
54 HG12 VAL 9 HG12 VAL 9 -9.847 -1.059 -0.416
55 HG13 VAL 9 3HG1 VAL 9 -8.133 -1.244 -0.797
56 HG21 VAL 9 HG21 VAL 9 -6.721 -2.757 0.464
57 HG22 VAL 9 HG22 VAL 9 -7.341 -3.610 1.879
58 HG23 VAL 9 HG23 VAL 9 -7.058 -1.871 1.951
59 HA PRO 10 HA PRO 10 -11.285 -5.803 3.930
60 HB2 PRO 10 HB2 PRO 10 -12.141 -7.464 1.936
61 HB3 PRO 10 HB1 PRO 10 -13.167 -6.240 2.686
62 HG2 PRO 10 HG2 PRO 10 -11.655 -6.130 0.112
63 HG3 PRO 10 HG1 PRO 10 -13.298 -5.570 0.471
64 HD2 PRO 10 HD2 PRO 10 -11.227 -3.872 0.318
65 HD3 PRO 10 HD1 PRO 10 -12.553 -3.630 1.474
66 H SER 11 HN SER 11 -10.585 -8.036 4.089
67 HA SER 11 HA SER 11 -7.875 -8.425 3.478
68 HB2 SER 11 HB2 SER 11 -9.966 -10.445 4.327
69 HB3 SER 11 HB1 SER 11 -8.220 -10.558 4.564
70 HG SER 11 HG SER 11 -8.980 -9.824 6.460
71 H GLY 12 HN GLY 12 -6.968 -9.503 1.758
72 HA2 GLY 12 HA2 GLY 12 -7.069 -11.145 0.008
73 HA3 GLY 12 HA1 GLY 12 -8.801 -10.861 -0.097
74 H THR 13 HN THR 13 -7.918 -7.861 0.195
75 HA THR 13 HA THR 13 -8.019 -7.263 -2.581
76 HB THR 13 HB THR 13 -7.233 -5.466 -0.269
77 HG1 THR 13 HG1 THR 13 -9.206 -5.964 0.276
78 HG21 THR 13 HG21 THR 13 -8.377 -4.806 -3.003
79 HG22 THR 13 HG22 THR 13 -6.717 -4.509 -2.492
80 HG23 THR 13 HG23 THR 13 -8.041 -3.641 -1.723
81 H CYS 14 HN CYS 14 -6.348 -6.840 -3.994
82 HA CYS 14 HA CYS 14 -3.648 -7.036 -2.870
83 HB2 CYS 14 HB2 CYS 14 -4.535 -7.920 -5.626
84 HB3 CYS 14 HB1 CYS 14 -2.949 -8.153 -4.892
85 H ALA 15 HN ALA 15 -2.213 -5.532 -3.410
86 HA ALA 15 HA ALA 15 -3.053 -3.514 -5.349
87 HB1 ALA 15 HB1 ALA 15 -1.651 -2.996 -2.717
88 HB2 ALA 15 HB2 ALA 15 -3.340 -2.641 -3.065
89 HB3 ALA 15 HB3 ALA 15 -2.069 -1.782 -3.925
90 H ASP 16 HN ASP 16 -1.412 -2.650 -6.558
91 HA ASP 16 HA ASP 16 1.017 -4.262 -6.588
92 HB2 ASP 16 HB2 ASP 16 -0.238 -2.516 -8.703
93 HB3 ASP 16 HB1 ASP 16 1.401 -3.136 -8.844
94 H PHE 17 HN PHE 17 2.597 -3.527 -5.542
95 HA PHE 17 HA PHE 17 3.007 -0.658 -5.238
96 HB2 PHE 17 HB2 PHE 17 4.177 -3.075 -3.875
97 HB3 PHE 17 HB1 PHE 17 4.724 -1.436 -3.585
98 HD1 PHE 17 HD1 PHE 17 3.438 0.065 -2.274
99 HD2 PHE 17 HD2 PHE 17 2.049 -3.870 -3.062
100 HE1 PHE 17 HE1 PHE 17 1.826 0.280 -0.454
101 HE2 PHE 17 HE2 PHE 17 0.412 -3.658 -1.237
102 HZ PHE 17 HZ PHE 17 0.311 -1.571 0.073
103 HA PRO 18 HA PRO 18 6.704 -0.966 -7.821
104 HB2 PRO 18 HB2 PRO 18 8.126 0.642 -5.783
105 HB3 PRO 18 HB1 PRO 18 7.827 1.013 -7.484
106 HG2 PRO 18 HG2 PRO 18 6.537 2.318 -5.545
107 HG3 PRO 18 HG1 PRO 18 5.722 1.886 -7.059
108 HD2 PRO 18 HD2 PRO 18 5.583 0.548 -4.385
109 HD3 PRO 18 HD1 PRO 18 4.277 0.918 -5.534
110 H TRP 19 HN TRP 19 9.044 -1.545 -7.556
111 HA TRP 19 HA TRP 19 9.427 -3.900 -6.092
112 HB2 TRP 19 HB2 TRP 19 10.615 -3.226 -8.199
113 HB3 TRP 19 HB1 TRP 19 11.491 -2.008 -7.287
114 HD1 TRP 19 HD1 TRP 19 11.353 -5.755 -7.962
115 HE1 TRP 19 HE1 TRP 19 13.496 -6.849 -7.068
116 HE3 TRP 19 3HE TRP 19 13.328 -1.754 -5.474
117 HZ2 TRP 19 HZ2 TRP 19 15.734 -6.119 -5.508
118 HZ3 TRP 19 HZ3 TRP 19 15.465 -2.032 -4.308
119 HH2 TRP 19 2HH TRP 19 16.650 -4.171 -4.322
120 HA PRO 20 HA PRO 20 10.850 -4.995 -5.025
121 HB2 PRO 20 HB2 PRO 20 11.416 -5.965 -2.462
122 HB3 PRO 20 HB1 PRO 20 12.585 -5.551 -3.714
123 HG2 PRO 20 HG2 PRO 20 12.214 -4.219 -1.252
124 HG3 PRO 20 HG1 PRO 20 13.199 -3.669 -2.614
125 HD2 PRO 20 HD2 PRO 20 10.445 -2.865 -1.819
126 HD3 PRO 20 HD1 PRO 20 11.713 -1.918 -2.620
127 H LEU 21 HN LEU 21 8.425 -3.549 -3.355
128 HA LEU 21 HA LEU 21 7.282 -5.757 -1.937
129 HB2 LEU 21 HB2 LEU 21 6.060 -3.150 -2.814
130 HB3 LEU 21 HB1 LEU 21 5.133 -4.379 -1.993
131 HG LEU 21 HG LEU 21 6.693 -4.111 -0.031
132 HD11 LEU 21 HD11 LEU 21 7.615 -1.754 -1.618
133 HD12 LEU 21 HD12 LEU 21 8.585 -3.153 -1.125
134 HD13 LEU 21 HD13 LEU 21 7.959 -2.029 0.093
135 HD21 LEU 21 HD21 LEU 21 4.501 -3.082 -0.105
136 HD22 LEU 21 HD22 LEU 21 5.183 -1.672 -0.916
137 HD23 LEU 21 HD23 LEU 21 5.663 -2.057 0.738
138 H GLY 22 HN GLY 22 6.357 -4.161 -4.956
139 HA2 GLY 22 HA2 GLY 22 5.466 -5.045 -6.868
140 HA3 GLY 22 HA1 GLY 22 5.822 -6.643 -6.226
141 H HIS 23 HN HIS 23 3.927 -7.650 -6.646
142 HA HIS 23 HA HIS 23 1.461 -6.328 -5.955
143 HB2 HIS 23 HB2 HIS 23 0.327 -8.400 -6.867
144 HB3 HIS 23 HB1 HIS 23 1.310 -7.515 -8.017
145 HD1 HIS 23 HD1 HIS 23 0.877 -10.869 -6.519
146 HD2 HIS 23 HD2 HIS 23 3.740 -8.843 -8.729
147 HE1 HIS 23 HE1 HIS 23 2.430 -12.627 -7.437
148 H GLN 24 HN GLN 24 0.776 -6.270 -4.019
149 HA GLN 24 HA GLN 24 1.302 -8.569 -2.276
150 HB2 GLN 24 HB2 GLN 24 1.256 -5.632 -1.614
151 HB3 GLN 24 HB1 GLN 24 1.237 -6.898 -0.395
152 HG2 GLN 24 HG2 GLN 24 3.398 -6.520 -2.454
153 HG3 GLN 24 HG1 GLN 24 3.484 -5.965 -0.782
154 HE21 GLN 24 1HE2 GLN 24 5.116 -7.918 -2.273
155 HE22 GLN 24 2HE2 GLN 24 5.049 -9.371 -1.343
156 H CYS 25 HN CYS 25 -0.377 -9.531 -1.438
157 HA CYS 25 HA CYS 25 -2.980 -8.232 -1.605
158 HB2 CYS 25 HB2 CYS 25 -2.249 -11.129 -1.125
159 HB3 CYS 25 HB1 CYS 25 -3.891 -10.497 -1.236
160 H PHE 26 HN PHE 26 -4.011 -7.667 0.135
161 HA PHE 26 HA PHE 26 -2.489 -7.700 2.594
162 HB2 PHE 26 HB2 PHE 26 -5.136 -6.393 1.983
163 HB3 PHE 26 HB1 PHE 26 -4.120 -6.089 3.385
164 HD1 PHE 26 HD1 PHE 26 -1.622 -5.382 2.739
165 HD2 PHE 26 HD2 PHE 26 -5.051 -4.896 0.270
166 HE1 PHE 26 HE1 PHE 26 -0.484 -3.581 1.515
167 HE2 PHE 26 HE2 PHE 26 -3.921 -3.101 -0.956
168 HZ PHE 26 HZ PHE 26 -1.638 -2.441 -0.340
169 HA PRO 27 HA PRO 27 -4.886 -11.335 3.699
170 HB2 PRO 27 HB2 PRO 27 -3.502 -11.979 5.928
171 HB3 PRO 27 HB1 PRO 27 -2.901 -12.311 4.300
172 HG2 PRO 27 HG2 PRO 27 -2.194 -10.082 6.162
173 HG3 PRO 27 HG1 PRO 27 -1.134 -11.039 5.114
174 HD2 PRO 27 HD2 PRO 27 -2.004 -8.538 4.494
175 HD3 PRO 27 HD1 PRO 27 -1.614 -9.762 3.268
176 H ASP 28 HN ASP 28 -4.306 -8.606 5.740
177 HA ASP 28 HA ASP 28 -6.712 -9.285 7.304
178 HB2 ASP 28 HB2 ASP 28 -4.631 -9.215 8.646
179 HB3 ASP 28 HB1 ASP 28 -4.318 -7.584 8.077
180 H1 GLY 1 HN GLY 1 7.783 7.733 2.770
181 HA2 GLY 1 HA2 GLY 1 8.407 5.723 1.775
182 HA3 GLY 1 HA1 GLY 1 9.519 5.444 3.105
183 H PHE 2 HN PHE 2 8.364 3.291 2.494
184 HA PHE 2 HA PHE 2 6.391 2.770 4.539
185 HB2 PHE 2 HB2 PHE 2 5.018 3.540 2.656
186 HB3 PHE 2 HB1 PHE 2 5.792 2.377 1.598
187 HD1 PHE 2 HD1 PHE 2 4.683 0.420 1.167
188 HD2 PHE 2 HD2 PHE 2 3.863 2.492 4.787
189 HE1 PHE 2 HE1 PHE 2 2.919 -1.200 1.689
190 HE2 PHE 2 HE2 PHE 2 2.098 0.867 5.319
191 HZ PHE 2 HZ PHE 2 1.624 -0.981 3.766
192 H CYS 3 HN CYS 3 6.342 0.568 5.059
193 HA CYS 3 HA CYS 3 8.071 -1.205 3.533
194 HB2 CYS 3 HB2 CYS 3 8.035 -0.866 6.539
195 HB3 CYS 3 HB1 CYS 3 8.836 -2.186 5.697
196 H TRP 4 HN TRP 4 7.146 -3.076 3.131
197 HA TRP 4 HA TRP 4 5.086 -4.128 4.845
198 HB2 TRP 4 HB2 TRP 4 3.970 -2.552 3.191
199 HB3 TRP 4 HB1 TRP 4 4.551 -3.612 1.924
200 HD1 TRP 4 HD1 TRP 4 3.189 -5.798 1.450
201 HE1 TRP 4 HE1 TRP 4 1.008 -6.777 2.418
202 HE3 TRP 4 3HE TRP 4 2.616 -2.687 5.451
203 HZ2 TRP 4 HZ2 TRP 4 -0.723 -6.279 4.585
204 HZ3 TRP 4 HZ3 TRP 4 0.673 -3.000 6.922
205 HH2 TRP 4 2HH TRP 4 -0.953 -4.752 6.497
206 H HIS 5 HN HIS 5 5.093 -6.333 4.685
207 HA HIS 5 HA HIS 5 5.895 -8.415 4.256
208 HB2 HIS 5 HB2 HIS 5 4.783 -7.919 2.020
209 HB3 HIS 5 HB1 HIS 5 6.335 -7.356 1.425
210 HD1 HIS 5 HD1 HIS 5 7.372 -9.116 -0.052
211 HD2 HIS 5 HD2 HIS 5 5.191 -10.737 3.084
212 HE1 HIS 5 HE1 HIS 5 7.540 -11.613 -0.313
213 H HIS 6 HN HIS 6 7.617 -6.207 5.095
214 HA HIS 6 HA HIS 6 9.676 -5.795 5.761
215 HB2 HIS 6 HB2 HIS 6 10.309 -8.536 4.678
216 HB3 HIS 6 HB1 HIS 6 11.526 -7.519 5.439
217 HD1 HIS 6 HD1 HIS 6 11.822 -8.054 7.867
218 HD2 HIS 6 HD2 HIS 6 7.958 -8.796 6.557
219 HE1 HIS 6 HE1 HIS 6 10.589 -9.010 9.840
220 H SER 7 HN SER 7 8.854 -5.801 2.668
221 HA SER 7 HA SER 7 11.407 -4.876 1.652
222 HB2 SER 7 HB2 SER 7 8.684 -5.073 0.341
223 HB3 SER 7 HB1 SER 7 10.224 -4.810 -0.478
224 HG SER 7 HG SER 7 10.685 -6.931 0.819
225 H CYS 8 HN CYS 8 11.652 -2.617 1.037
226 HA CYS 8 HA CYS 8 9.538 -0.903 2.097
227 HB2 CYS 8 HB2 CYS 8 12.508 -0.590 2.536
228 HB3 CYS 8 HB1 CYS 8 11.282 0.578 3.009
229 H VAL 9 HN VAL 9 9.304 1.064 1.141
230 HA VAL 9 HA VAL 9 10.877 1.514 -1.255
231 HB VAL 9 HB VAL 9 8.924 2.913 -2.101
232 HG11 VAL 9 HG11 VAL 9 7.593 0.960 -2.849
233 HG12 VAL 9 HG12 VAL 9 8.479 -0.026 -1.676
234 HG13 VAL 9 3HG1 VAL 9 9.335 0.724 -3.018
235 HG21 VAL 9 HG21 VAL 9 7.744 3.227 0.018
236 HG22 VAL 9 HG22 VAL 9 7.432 1.494 0.112
237 HG23 VAL 9 HG23 VAL 9 6.691 2.454 -1.168
238 HA PRO 10 HA PRO 10 12.321 5.035 0.915
239 HB2 PRO 10 HB2 PRO 10 12.823 6.422 -1.611
240 HB3 PRO 10 HB1 PRO 10 13.979 5.792 -0.437
241 HG2 PRO 10 HG2 PRO 10 13.640 4.658 -2.863
242 HG3 PRO 10 HG1 PRO 10 14.047 3.709 -1.423
243 HD2 PRO 10 HD2 PRO 10 11.395 4.096 -2.752
244 HD3 PRO 10 HD1 PRO 10 12.142 2.616 -2.107
245 H SER 11 HN SER 11 12.023 7.251 1.295
246 HA SER 11 HA SER 11 9.450 8.289 1.288
247 HB2 SER 11 HB2 SER 11 12.072 9.768 1.404
248 HB3 SER 11 HB1 SER 11 10.530 10.266 2.110
249 HG SER 11 HG SER 11 12.410 8.484 3.054
250 H GLY 12 HN GLY 12 8.288 9.132 -0.355
251 HA2 GLY 12 HA2 GLY 12 8.178 10.906 -2.043
252 HA3 GLY 12 HA1 GLY 12 9.759 10.372 -2.598
253 H THR 13 HN THR 13 8.532 7.571 -1.942
254 HA THR 13 HA THR 13 7.779 7.008 -4.639
255 HB THR 13 HB THR 13 7.659 5.218 -2.191
256 HG1 THR 13 HG1 THR 13 9.718 5.553 -2.292
257 HG21 THR 13 HG21 THR 13 7.846 3.377 -3.814
258 HG22 THR 13 HG22 THR 13 7.877 4.538 -5.135
259 HG23 THR 13 HG23 THR 13 6.421 4.357 -4.159
260 H CYS 14 HN CYS 14 5.694 6.508 -5.375
261 HA CYS 14 HA CYS 14 3.577 6.746 -3.407
262 HB2 CYS 14 HB2 CYS 14 3.875 8.867 -4.652
263 HB3 CYS 14 HB1 CYS 14 3.522 8.012 -6.157
264 H ALA 15 HN ALA 15 1.814 5.487 -3.793
265 HA ALA 15 HA ALA 15 2.104 3.583 -5.995
266 HB1 ALA 15 HB1 ALA 15 1.438 2.844 -3.144
267 HB2 ALA 15 HB2 ALA 15 2.982 2.559 -3.944
268 HB3 ALA 15 HB3 ALA 15 1.533 1.739 -4.516
269 H ASP 16 HN ASP 16 0.215 2.804 -6.832
270 HA ASP 16 HA ASP 16 -2.160 4.320 -6.103
271 HB2 ASP 16 HB2 ASP 16 -1.648 2.517 -8.490
272 HB3 ASP 16 HB1 ASP 16 -3.150 3.376 -8.192
273 H PHE 17 HN PHE 17 -3.400 3.485 -4.662
274 HA PHE 17 HA PHE 17 -3.613 0.580 -4.330
275 HB2 PHE 17 HB2 PHE 17 -4.492 2.936 -2.661
276 HB3 PHE 17 HB1 PHE 17 -4.903 1.274 -2.286
277 HD1 PHE 17 HD1 PHE 17 -3.418 -0.103 -1.163
278 HD2 PHE 17 HD2 PHE 17 -2.136 3.684 -2.573
279 HE1 PHE 17 HE1 PHE 17 -1.391 -0.297 0.190
280 HE2 PHE 17 HE2 PHE 17 -0.088 3.498 -1.220
281 HZ PHE 17 HZ PHE 17 0.272 1.491 0.170
282 HA PRO 18 HA PRO 18 -7.782 0.718 -5.980
283 HB2 PRO 18 HB2 PRO 18 -8.700 -0.892 -3.670
284 HB3 PRO 18 HB1 PRO 18 -8.752 -1.286 -5.390
285 HG2 PRO 18 HG2 PRO 18 -7.039 -2.520 -3.759
286 HG3 PRO 18 HG1 PRO 18 -6.575 -2.080 -5.413
287 HD2 PRO 18 HD2 PRO 18 -5.925 -0.700 -2.838
288 HD3 PRO 18 HD1 PRO 18 -4.873 -1.052 -4.229
289 H TRP 19 HN TRP 19 -10.040 1.241 -5.230
290 HA TRP 19 HA TRP 19 -10.052 3.627 -3.700
291 HB2 TRP 19 HB2 TRP 19 -11.562 2.999 -5.686
292 HB3 TRP 19 HB1 TRP 19 -12.437 1.958 -4.576
293 HD1 TRP 19 HD1 TRP 19 -11.758 5.658 -5.302
294 HE1 TRP 19 HE1 TRP 19 -13.624 7.069 -4.227
295 HE3 TRP 19 3HE TRP 19 -14.198 1.972 -2.761
296 HZ2 TRP 19 HZ2 TRP 19 -15.832 6.674 -2.537
297 HZ3 TRP 19 HZ3 TRP 19 -16.186 2.573 -1.433
298 HH2 TRP 19 2HH TRP 19 -16.978 4.875 -1.328
299 HA PRO 20 HA PRO 20 -11.283 4.758 -2.393
300 HB2 PRO 20 HB2 PRO 20 -11.595 5.631 0.206
301 HB3 PRO 20 HB1 PRO 20 -12.902 5.160 -0.877
302 HG2 PRO 20 HG2 PRO 20 -12.076 3.833 1.510
303 HG3 PRO 20 HG1 PRO 20 -13.311 3.307 0.360
304 HD2 PRO 20 HD2 PRO 20 -10.478 2.453 0.613
305 HD3 PRO 20 HD1 PRO 20 -11.879 1.559 -0.006
306 H LEU 21 HN LEU 21 -8.661 3.259 -1.485
307 HA LEU 21 HA LEU 21 -7.307 5.368 -0.061
308 HB2 LEU 21 HB2 LEU 21 -6.287 2.815 -1.294
309 HB3 LEU 21 HB1 LEU 21 -5.205 4.012 -0.629
310 HG LEU 21 HG LEU 21 -6.312 3.667 1.592
311 HD11 LEU 21 HD11 LEU 21 -8.420 2.749 0.863
312 HD12 LEU 21 HD12 LEU 21 -7.579 1.619 1.934
313 HD13 LEU 21 HD13 LEU 21 -7.586 1.349 0.184
314 HD21 LEU 21 HD21 LEU 21 -5.068 1.249 0.331
315 HD22 LEU 21 HD22 LEU 21 -5.186 1.583 2.061
316 HD23 LEU 21 HD23 LEU 21 -4.207 2.620 1.024
317 H GLY 22 HN GLY 22 -7.055 3.951 -3.294
318 HA2 GLY 22 HA2 GLY 22 -6.535 4.921 -5.293
319 HA3 GLY 22 HA1 GLY 22 -6.739 6.492 -4.520
320 H HIS 23 HN HIS 23 -4.923 7.211 -5.692
321 HA HIS 23 HA HIS 23 -2.364 6.092 -5.261
322 HB2 HIS 23 HB2 HIS 23 -1.455 8.183 -6.255
323 HB3 HIS 23 HB1 HIS 23 -2.729 7.481 -7.236
324 HD1 HIS 23 HD1 HIS 23 -1.588 10.666 -6.186
325 HD2 HIS 23 HD2 HIS 23 -5.333 8.901 -6.516
326 HE1 HIS 23 HE1 HIS 23 -3.251 12.548 -6.231
327 H GLN 24 HN GLN 24 -1.353 5.975 -3.475
328 HA GLN 24 HA GLN 24 -1.540 8.184 -1.568
329 HB2 GLN 24 HB2 GLN 24 -1.399 5.224 -1.041
330 HB3 GLN 24 HB1 GLN 24 -1.088 6.430 0.196
331 HG2 GLN 24 HG2 GLN 24 -3.666 6.177 -1.337
332 HG3 GLN 24 HG1 GLN 24 -3.395 5.531 0.280
333 HE21 GLN 24 1HE2 GLN 24 -5.319 7.533 -0.580
334 HE22 GLN 24 2HE2 GLN 24 -4.956 8.963 0.323
335 H CYS 25 HN CYS 25 0.260 9.138 -1.268
336 HA CYS 25 HA CYS 25 2.666 7.862 -2.251
337 HB2 CYS 25 HB2 CYS 25 2.178 10.769 -1.635
338 HB3 CYS 25 HB1 CYS 25 3.531 10.075 -2.528
339 H PHE 26 HN PHE 26 4.572 7.868 -0.977
340 HA PHE 26 HA PHE 26 3.935 7.929 1.883
341 HB2 PHE 26 HB2 PHE 26 6.138 6.401 0.499
342 HB3 PHE 26 HB1 PHE 26 5.584 6.200 2.154
343 HD1 PHE 26 HD1 PHE 26 3.012 5.570 2.368
344 HD2 PHE 26 HD2 PHE 26 5.406 4.932 -1.091
345 HE1 PHE 26 HE1 PHE 26 1.451 3.817 1.608
346 HE2 PHE 26 HE2 PHE 26 3.854 3.189 -1.851
347 HZ PHE 26 HZ PHE 26 1.881 2.632 -0.508
348 HA PRO 27 HA PRO 27 6.771 11.541 1.579
349 HB2 PRO 27 HB2 PRO 27 5.891 11.771 4.402
350 HB3 PRO 27 HB1 PRO 27 5.866 12.995 3.135
351 HG2 PRO 27 HG2 PRO 27 3.607 11.883 3.938
352 HG3 PRO 27 HG1 PRO 27 3.888 12.179 2.212
353 HD2 PRO 27 HD2 PRO 27 4.113 9.628 3.753
354 HD3 PRO 27 HD1 PRO 27 3.379 9.925 2.162
355 H ASP 28 HN ASP 28 6.621 9.091 4.063
356 HA ASP 28 HA ASP 28 9.486 9.518 4.626
357 HB2 ASP 28 HB2 ASP 28 7.321 8.518 6.480
358 HB3 ASP 28 HB1 ASP 28 9.034 8.440 6.850
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 -6.383 -7.489 4.019
2 HA2 GLY 1 HA2 GLY 1 -7.505 -5.676 3.118
3 HA3 GLY 1 HA1 GLY 1 -8.013 -5.204 4.747
4 H PHE 2 HN PHE 2 -7.150 -3.102 3.735
5 HA PHE 2 HA PHE 2 -4.428 -2.873 4.729
6 HB2 PHE 2 HB2 PHE 2 -4.150 -3.160 2.324
7 HB3 PHE 2 HB1 PHE 2 -5.298 -1.872 2.008
8 HD1 PHE 2 HD1 PHE 2 -4.441 0.176 1.447
9 HD2 PHE 2 HD2 PHE 2 -2.124 -2.423 3.897
10 HE1 PHE 2 HE1 PHE 2 -2.595 1.796 1.416
11 HE2 PHE 2 HE2 PHE 2 -0.279 -0.800 3.870
12 HZ PHE 2 HZ PHE 2 -0.510 1.306 2.627
13 H CYS 3 HN CYS 3 -4.322 -1.320 6.119
14 HA CYS 3 HA CYS 3 -6.277 0.831 5.942
15 HB2 CYS 3 HB2 CYS 3 -5.097 -0.497 8.380
16 HB3 CYS 3 HB1 CYS 3 -6.034 0.993 8.433
17 H TRP 4 HN TRP 4 -5.392 2.590 5.355
18 HA TRP 4 HA TRP 4 -2.866 3.482 6.484
19 HB2 TRP 4 HB2 TRP 4 -2.281 2.392 4.356
20 HB3 TRP 4 HB1 TRP 4 -3.510 3.314 3.520
21 HD1 TRP 4 HD1 TRP 4 -2.926 5.859 2.920
22 HE1 TRP 4 HE1 TRP 4 -0.695 7.119 2.795
23 HE3 TRP 4 3HE TRP 4 0.030 2.544 5.447
24 HZ2 TRP 4 HZ2 TRP 4 1.954 6.774 3.642
25 HZ3 TRP 4 HZ3 TRP 4 2.410 3.089 5.735
26 HH2 TRP 4 2HH TRP 4 3.350 5.165 4.845
27 H HIS 5 HN HIS 5 -3.028 5.630 6.934
28 HA HIS 5 HA HIS 5 -3.902 7.729 7.184
29 HB2 HIS 5 HB2 HIS 5 -3.309 7.714 4.709
30 HB3 HIS 5 HB1 HIS 5 -4.981 7.301 4.373
31 HD1 HIS 5 HD1 HIS 5 -5.970 9.391 3.349
32 HD2 HIS 5 HD2 HIS 5 -3.558 10.209 6.638
33 HE1 HIS 5 HE1 HIS 5 -6.101 11.870 3.712
34 H HIS 6 HN HIS 6 -5.420 5.527 8.140
35 HA HIS 6 HA HIS 6 -7.347 5.054 9.179
36 HB2 HIS 6 HB2 HIS 6 -8.027 7.936 8.536
37 HB3 HIS 6 HB1 HIS 6 -9.054 6.894 9.511
38 HD1 HIS 6 HD1 HIS 6 -8.460 6.695 11.973
39 HD2 HIS 6 HD2 HIS 6 -5.486 8.537 9.732
40 HE1 HIS 6 HE1 HIS 6 -6.789 7.597 13.636
41 H SER 7 HN SER 7 -7.011 4.885 6.198
42 HA SER 7 HA SER 7 -9.835 4.510 5.512
43 HB2 SER 7 HB2 SER 7 -7.473 4.987 3.685
44 HB3 SER 7 HB1 SER 7 -9.170 4.939 3.204
45 HG SER 7 HG SER 7 -8.093 6.748 5.089
46 H CYS 8 HN CYS 8 -10.401 2.408 5.022
47 HA CYS 8 HA CYS 8 -8.198 0.503 4.799
48 HB2 CYS 8 HB2 CYS 8 -10.775 0.153 6.328
49 HB3 CYS 8 HB1 CYS 8 -9.568 -1.100 6.075
50 H VAL 9 HN VAL 9 -8.278 -0.775 3.151
51 HA VAL 9 HA VAL 9 -10.790 -1.063 1.676
52 HB VAL 9 HB VAL 9 -9.363 -2.136 -0.148
53 HG11 VAL 9 HG11 VAL 9 -10.093 0.105 -0.431
54 HG12 VAL 9 HG12 VAL 9 -8.389 0.051 -0.912
55 HG13 VAL 9 3HG1 VAL 9 -8.862 0.698 0.665
56 HG21 VAL 9 HG21 VAL 9 -6.951 -1.697 -0.119
57 HG22 VAL 9 HG22 VAL 9 -7.428 -2.728 1.234
58 HG23 VAL 9 HG23 VAL 9 -7.105 -1.012 1.498
59 HA PRO 10 HA PRO 10 -11.515 -4.991 3.341
60 HB2 PRO 10 HB2 PRO 10 -12.681 -6.303 1.256
61 HB3 PRO 10 HB1 PRO 10 -13.492 -5.059 2.213
62 HG2 PRO 10 HG2 PRO 10 -12.136 -4.806 -0.442
63 HG3 PRO 10 HG1 PRO 10 -13.691 -4.137 0.092
64 HD2 PRO 10 HD2 PRO 10 -11.476 -2.637 -0.001
65 HD3 PRO 10 HD1 PRO 10 -12.694 -2.424 1.274
66 H SER 11 HN SER 11 -10.904 -7.122 3.428
67 HA SER 11 HA SER 11 -8.372 -7.833 2.603
68 HB2 SER 11 HB2 SER 11 -10.664 -9.633 3.399
69 HB3 SER 11 HB1 SER 11 -8.936 -9.963 3.560
70 HG SER 11 HG SER 11 -10.220 -9.065 5.454
71 H GLY 12 HN GLY 12 -7.629 -8.878 0.837
72 HA2 GLY 12 HA2 GLY 12 -7.992 -10.465 -0.957
73 HA3 GLY 12 HA1 GLY 12 -9.619 -9.804 -1.129
74 H THR 13 HN THR 13 -8.229 -7.120 -0.532
75 HA THR 13 HA THR 13 -7.837 -6.376 -3.248
76 HB THR 13 HB THR 13 -7.296 -4.855 -0.686
77 HG1 THR 13 HG1 THR 13 -9.388 -5.064 -0.620
78 HG21 THR 13 HG21 THR 13 -7.690 -3.873 -3.522
79 HG22 THR 13 HG22 THR 13 -6.161 -3.883 -2.644
80 HG23 THR 13 HG23 THR 13 -7.485 -2.852 -2.098
81 H CYS 14 HN CYS 14 -5.961 -6.366 -4.342
82 HA CYS 14 HA CYS 14 -3.520 -6.841 -2.826
83 HB2 CYS 14 HB2 CYS 14 -4.047 -7.546 -5.728
84 HB3 CYS 14 HB1 CYS 14 -2.651 -8.012 -4.772
85 H ALA 15 HN ALA 15 -1.526 -5.774 -3.874
86 HA ALA 15 HA ALA 15 -2.215 -3.562 -5.613
87 HB1 ALA 15 HB1 ALA 15 -1.033 -1.952 -4.228
88 HB2 ALA 15 HB2 ALA 15 -0.734 -3.195 -3.015
89 HB3 ALA 15 HB3 ALA 15 -2.384 -2.661 -3.344
90 H ASP 16 HN ASP 16 -0.544 -2.822 -6.821
91 HA ASP 16 HA ASP 16 1.718 -4.648 -7.059
92 HB2 ASP 16 HB2 ASP 16 0.456 -4.299 -9.088
93 HB3 ASP 16 HB1 ASP 16 0.579 -2.553 -8.916
94 H PHE 17 HN PHE 17 3.468 -4.048 -5.948
95 HA PHE 17 HA PHE 17 4.048 -1.191 -5.712
96 HB2 PHE 17 HB2 PHE 17 4.898 -3.552 -4.033
97 HB3 PHE 17 HB1 PHE 17 5.536 -1.929 -3.829
98 HD1 PHE 17 HD1 PHE 17 4.057 -0.135 -3.065
99 HD2 PHE 17 HD2 PHE 17 2.831 -4.191 -3.151
100 HE1 PHE 17 HE1 PHE 17 2.233 0.397 -1.506
101 HE2 PHE 17 HE2 PHE 17 0.996 -3.681 -1.594
102 HZ PHE 17 HZ PHE 17 0.699 -1.372 -0.770
103 HA PRO 18 HA PRO 18 7.890 -2.050 -7.905
104 HB2 PRO 18 HB2 PRO 18 9.430 -0.228 -6.264
105 HB3 PRO 18 HB1 PRO 18 8.841 0.027 -7.906
106 HG2 PRO 18 HG2 PRO 18 7.913 1.418 -5.754
107 HG3 PRO 18 HG1 PRO 18 6.944 1.087 -7.200
108 HD2 PRO 18 HD2 PRO 18 6.949 -0.319 -4.559
109 HD3 PRO 18 HD1 PRO 18 5.570 0.165 -5.570
110 H TRP 19 HN TRP 19 10.225 -2.604 -7.448
111 HA TRP 19 HA TRP 19 10.542 -4.721 -5.673
112 HB2 TRP 19 HB2 TRP 19 11.936 -4.179 -7.719
113 HB3 TRP 19 HB1 TRP 19 12.667 -2.876 -6.802
114 HD1 TRP 19 HD1 TRP 19 12.720 -6.650 -7.206
115 HE1 TRP 19 HE1 TRP 19 14.770 -7.588 -5.988
116 HE3 TRP 19 3HE TRP 19 14.230 -2.417 -4.802
117 HZ2 TRP 19 HZ2 TRP 19 16.757 -6.665 -4.233
118 HZ3 TRP 19 HZ3 TRP 19 16.199 -2.532 -3.363
119 HH2 TRP 19 2HH TRP 19 17.443 -4.610 -3.082
120 HA PRO 20 HA PRO 20 11.738 -5.668 -4.321
121 HB2 PRO 20 HB2 PRO 20 12.213 -6.385 -1.711
122 HB3 PRO 20 HB1 PRO 20 13.448 -5.902 -2.868
123 HG2 PRO 20 HG2 PRO 20 12.644 -4.483 -0.513
124 HG3 PRO 20 HG1 PRO 20 13.829 -3.989 -1.725
125 HD2 PRO 20 HD2 PRO 20 10.973 -3.204 -1.459
126 HD3 PRO 20 HD1 PRO 20 12.331 -2.307 -2.171
127 H LEU 21 HN LEU 21 9.229 -4.057 -3.267
128 HA LEU 21 HA LEU 21 7.881 -6.016 -1.631
129 HB2 LEU 21 HB2 LEU 21 6.903 -3.514 -2.992
130 HB3 LEU 21 HB1 LEU 21 5.857 -4.563 -2.060
131 HG LEU 21 HG LEU 21 8.230 -3.047 -0.964
132 HD11 LEU 21 HD11 LEU 21 5.271 -2.564 -0.670
133 HD12 LEU 21 HD12 LEU 21 6.396 -1.569 -1.594
134 HD13 LEU 21 HD13 LEU 21 6.554 -1.683 0.158
135 HD21 LEU 21 HD21 LEU 21 6.097 -4.679 0.389
136 HD22 LEU 21 HD22 LEU 21 7.349 -3.741 1.198
137 HD23 LEU 21 HD23 LEU 21 7.789 -5.138 0.217
138 H GLY 22 HN GLY 22 7.538 -4.780 -4.906
139 HA2 GLY 22 HA2 GLY 22 6.764 -5.784 -6.801
140 HA3 GLY 22 HA1 GLY 22 6.933 -7.332 -5.980
141 H HIS 23 HN HIS 23 5.011 -8.208 -6.542
142 HA HIS 23 HA HIS 23 2.597 -6.704 -6.108
143 HB2 HIS 23 HB2 HIS 23 1.426 -8.764 -6.958
144 HB3 HIS 23 HB1 HIS 23 2.597 -8.096 -8.079
145 HD1 HIS 23 HD1 HIS 23 4.699 -9.605 -8.629
146 HD2 HIS 23 HD2 HIS 23 2.008 -11.281 -5.944
147 HE1 HIS 23 HE1 HIS 23 5.322 -12.020 -8.427
148 H GLN 24 HN GLN 24 1.783 -6.476 -4.168
149 HA GLN 24 HA GLN 24 1.979 -8.742 -2.313
150 HB2 GLN 24 HB2 GLN 24 2.147 -5.790 -1.685
151 HB3 GLN 24 HB1 GLN 24 1.907 -7.030 -0.464
152 HG2 GLN 24 HG2 GLN 24 4.290 -6.796 -2.290
153 HG3 GLN 24 HG1 GLN 24 4.238 -6.334 -0.589
154 HE21 GLN 24 1HE2 GLN 24 5.885 -8.289 -1.968
155 HE22 GLN 24 2HE2 GLN 24 5.633 -9.806 -1.185
156 H CYS 25 HN CYS 25 0.123 -9.339 -1.263
157 HA CYS 25 HA CYS 25 -2.159 -7.716 -1.980
158 HB2 CYS 25 HB2 CYS 25 -2.034 -9.983 -3.108
159 HB3 CYS 25 HB1 CYS 25 -2.240 -10.698 -1.511
160 H PHE 26 HN PHE 26 -3.937 -7.703 -0.396
161 HA PHE 26 HA PHE 26 -2.807 -7.901 2.298
162 HB2 PHE 26 HB2 PHE 26 -4.867 -5.963 1.255
163 HB3 PHE 26 HB1 PHE 26 -4.195 -5.993 2.880
164 HD1 PHE 26 HD1 PHE 26 -1.677 -5.637 3.114
165 HD2 PHE 26 HD2 PHE 26 -3.855 -4.723 -0.421
166 HE1 PHE 26 HE1 PHE 26 0.135 -4.148 2.386
167 HE2 PHE 26 HE2 PHE 26 -2.056 -3.236 -1.155
168 HZ PHE 26 HZ PHE 26 -0.045 -2.948 0.255
169 HA PRO 27 HA PRO 27 -6.379 -10.742 2.513
170 HB2 PRO 27 HB2 PRO 27 -4.931 -12.098 4.607
171 HB3 PRO 27 HB1 PRO 27 -5.319 -12.691 2.992
172 HG2 PRO 27 HG2 PRO 27 -2.779 -12.105 3.827
173 HG3 PRO 27 HG1 PRO 27 -3.297 -12.038 2.134
174 HD2 PRO 27 HD2 PRO 27 -2.935 -9.824 4.107
175 HD3 PRO 27 HD1 PRO 27 -2.527 -9.889 2.375
176 H ASP 28 HN ASP 28 -4.830 -8.762 4.764
177 HA ASP 28 HA ASP 28 -6.927 -9.080 6.807
178 HB2 ASP 28 HB2 ASP 28 -4.431 -7.367 6.810
179 HB3 ASP 28 HB1 ASP 28 -5.553 -7.528 8.150
180 H1 GLY 1 HN GLY 1 6.966 7.589 2.497
181 HA2 GLY 1 HA2 GLY 1 7.660 5.734 1.305
182 HA3 GLY 1 HA1 GLY 1 8.799 5.371 2.604
183 H PHE 2 HN PHE 2 7.806 3.157 1.984
184 HA PHE 2 HA PHE 2 5.662 2.668 3.891
185 HB2 PHE 2 HB2 PHE 2 4.498 2.972 1.772
186 HB3 PHE 2 HB1 PHE 2 5.547 1.798 0.995
187 HD1 PHE 2 HD1 PHE 2 4.690 -0.299 0.675
188 HD2 PHE 2 HD2 PHE 2 3.271 2.017 3.943
189 HE1 PHE 2 HE1 PHE 2 3.097 -2.079 1.238
190 HE2 PHE 2 HE2 PHE 2 1.675 0.240 4.516
191 HZ PHE 2 HZ PHE 2 1.587 -1.815 3.159
192 H CYS 3 HN CYS 3 5.985 0.911 5.042
193 HA CYS 3 HA CYS 3 8.052 -0.958 4.172
194 HB2 CYS 3 HB2 CYS 3 7.273 -0.111 6.963
195 HB3 CYS 3 HB1 CYS 3 8.450 -1.362 6.576
196 H TRP 4 HN TRP 4 7.378 -2.911 3.834
197 HA TRP 4 HA TRP 4 5.289 -4.126 5.396
198 HB2 TRP 4 HB2 TRP 4 4.070 -2.956 3.550
199 HB3 TRP 4 HB1 TRP 4 5.044 -3.830 2.383
200 HD1 TRP 4 HD1 TRP 4 4.375 -6.395 1.927
201 HE1 TRP 4 HE1 TRP 4 2.277 -7.777 2.530
202 HE3 TRP 4 3HE TRP 4 2.276 -3.243 5.359
203 HZ2 TRP 4 HZ2 TRP 4 0.036 -7.543 4.214
204 HZ3 TRP 4 HZ3 TRP 4 0.152 -3.900 6.412
205 HH2 TRP 4 2HH TRP 4 -0.936 -6.008 5.843
206 H HIS 5 HN HIS 5 5.713 -6.304 5.505
207 HA HIS 5 HA HIS 5 6.723 -8.303 5.232
208 HB2 HIS 5 HB2 HIS 5 5.546 -8.000 3.001
209 HB3 HIS 5 HB1 HIS 5 7.073 -7.439 2.341
210 HD1 HIS 5 HD1 HIS 5 8.006 -9.263 0.936
211 HD2 HIS 5 HD2 HIS 5 6.179 -10.710 4.372
212 HE1 HIS 5 HE1 HIS 5 8.272 -11.759 0.863
213 H HIS 6 HN HIS 6 8.287 -6.007 6.005
214 HA HIS 6 HA HIS 6 10.347 -5.594 6.763
215 HB2 HIS 6 HB2 HIS 6 11.166 -8.127 5.331
216 HB3 HIS 6 HB1 HIS 6 12.276 -7.147 6.274
217 HD1 HIS 6 HD1 HIS 6 12.411 -7.717 8.717
218 HD2 HIS 6 HD2 HIS 6 9.001 -9.249 6.915
219 HE1 HIS 6 HE1 HIS 6 11.309 -9.202 10.444
220 H SER 7 HN SER 7 9.389 -5.110 3.775
221 HA SER 7 HA SER 7 11.962 -4.014 2.878
222 HB2 SER 7 HB2 SER 7 9.444 -4.568 1.312
223 HB3 SER 7 HB1 SER 7 10.991 -4.047 0.648
224 HG SER 7 HG SER 7 11.727 -6.099 1.848
225 H CYS 8 HN CYS 8 12.128 -1.795 2.612
226 HA CYS 8 HA CYS 8 9.667 -0.240 3.010
227 HB2 CYS 8 HB2 CYS 8 12.464 0.436 3.930
228 HB3 CYS 8 HB1 CYS 8 11.070 1.508 4.025
229 H VAL 9 HN VAL 9 9.096 0.716 1.231
230 HA VAL 9 HA VAL 9 11.072 1.420 -0.791
231 HB VAL 9 HB VAL 9 9.136 2.186 -2.190
232 HG11 VAL 9 HG11 VAL 9 8.795 -0.570 -1.029
233 HG12 VAL 9 HG12 VAL 9 9.858 -0.120 -2.361
234 HG13 VAL 9 3HG1 VAL 9 8.109 -0.007 -2.551
235 HG21 VAL 9 HG21 VAL 9 7.638 2.934 -0.407
236 HG22 VAL 9 HG22 VAL 9 7.453 1.269 0.142
237 HG23 VAL 9 HG23 VAL 9 6.832 1.749 -1.437
238 HA PRO 10 HA PRO 10 11.793 5.430 0.651
239 HB2 PRO 10 HB2 PRO 10 12.299 6.860 -1.590
240 HB3 PRO 10 HB1 PRO 10 13.394 5.621 -0.966
241 HG2 PRO 10 HG2 PRO 10 11.356 5.415 -3.148
242 HG3 PRO 10 HG1 PRO 10 13.025 4.820 -3.126
243 HD2 PRO 10 HD2 PRO 10 10.916 3.206 -2.666
244 HD3 PRO 10 HD1 PRO 10 12.476 2.965 -1.858
245 H SER 11 HN SER 11 11.093 7.579 0.887
246 HA SER 11 HA SER 11 8.416 8.195 0.726
247 HB2 SER 11 HB2 SER 11 10.761 10.100 0.773
248 HB3 SER 11 HB1 SER 11 9.136 10.392 1.398
249 HG SER 11 HG SER 11 10.082 9.732 3.187
250 H GLY 12 HN GLY 12 7.186 8.929 -0.923
251 HA2 GLY 12 HA2 GLY 12 6.954 10.482 -2.802
252 HA3 GLY 12 HA1 GLY 12 8.565 9.998 -3.302
253 H THR 13 HN THR 13 7.663 7.172 -2.461
254 HA THR 13 HA THR 13 7.001 6.240 -5.035
255 HB THR 13 HB THR 13 6.664 4.848 -2.358
256 HG1 THR 13 HG1 THR 13 8.759 5.169 -2.379
257 HG21 THR 13 HG21 THR 13 6.922 2.775 -3.651
258 HG22 THR 13 HG22 THR 13 7.045 3.712 -5.138
259 HG23 THR 13 HG23 THR 13 5.532 3.694 -4.231
260 H CYS 14 HN CYS 14 5.041 6.221 -6.026
261 HA CYS 14 HA CYS 14 2.655 6.492 -4.331
262 HB2 CYS 14 HB2 CYS 14 2.930 7.272 -7.233
263 HB3 CYS 14 HB1 CYS 14 1.562 7.557 -6.153
264 H ALA 15 HN ALA 15 1.135 5.018 -4.439
265 HA ALA 15 HA ALA 15 1.294 3.002 -6.560
266 HB1 ALA 15 HB1 ALA 15 0.718 1.288 -4.882
267 HB2 ALA 15 HB2 ALA 15 0.809 2.511 -3.616
268 HB3 ALA 15 HB3 ALA 15 2.257 2.066 -4.514
269 H ASP 16 HN ASP 16 -0.704 2.135 -7.151
270 HA ASP 16 HA ASP 16 -2.940 3.873 -6.494
271 HB2 ASP 16 HB2 ASP 16 -4.120 2.918 -8.405
272 HB3 ASP 16 HB1 ASP 16 -2.533 3.471 -8.906
273 H PHE 17 HN PHE 17 -4.519 3.328 -5.258
274 HA PHE 17 HA PHE 17 -4.975 0.512 -4.630
275 HB2 PHE 17 HB2 PHE 17 -5.077 2.908 -2.783
276 HB3 PHE 17 HB1 PHE 17 -5.657 1.309 -2.356
277 HD1 PHE 17 HD1 PHE 17 -4.063 -0.525 -2.067
278 HD2 PHE 17 HD2 PHE 17 -2.791 3.477 -2.710
279 HE1 PHE 17 HE1 PHE 17 -1.850 -1.100 -1.208
280 HE2 PHE 17 HE2 PHE 17 -0.567 2.915 -1.854
281 HZ PHE 17 HZ PHE 17 -0.087 0.616 -1.098
282 HA PRO 18 HA PRO 18 -9.214 1.708 -5.517
283 HB2 PRO 18 HB2 PRO 18 -10.208 0.024 -3.339
284 HB3 PRO 18 HB1 PRO 18 -10.395 -0.192 -5.081
285 HG2 PRO 18 HG2 PRO 18 -8.848 -1.815 -3.583
286 HG3 PRO 18 HG1 PRO 18 -8.477 -1.428 -5.272
287 HD2 PRO 18 HD2 PRO 18 -7.265 -0.307 -2.769
288 HD3 PRO 18 HD1 PRO 18 -6.498 -0.773 -4.294
289 H TRP 19 HN TRP 19 -11.200 2.537 -4.376
290 HA TRP 19 HA TRP 19 -10.712 4.635 -2.588
291 HB2 TRP 19 HB2 TRP 19 -12.722 4.406 -4.089
292 HB3 TRP 19 HB1 TRP 19 -13.305 3.104 -3.068
293 HD1 TRP 19 HD1 TRP 19 -13.049 6.899 -3.237
294 HE1 TRP 19 HE1 TRP 19 -14.469 7.927 -1.376
295 HE3 TRP 19 3HE TRP 19 -14.205 2.645 -0.660
296 HZ2 TRP 19 HZ2 TRP 19 -15.903 7.055 0.899
297 HZ3 TRP 19 HZ3 TRP 19 -15.591 2.834 1.345
298 HH2 TRP 19 2HH TRP 19 -16.424 5.005 2.111
299 HA PRO 20 HA PRO 20 -11.404 5.675 -0.881
300 HB2 PRO 20 HB2 PRO 20 -10.835 6.256 1.769
301 HB3 PRO 20 HB1 PRO 20 -12.440 6.041 1.076
302 HG2 PRO 20 HG2 PRO 20 -11.168 4.359 2.981
303 HG3 PRO 20 HG1 PRO 20 -12.701 4.072 2.152
304 HD2 PRO 20 HD2 PRO 20 -9.989 3.021 1.534
305 HD3 PRO 20 HD1 PRO 20 -11.579 2.276 1.271
306 H LEU 21 HN LEU 21 -8.798 3.875 -0.864
307 HA LEU 21 HA LEU 21 -6.926 5.830 0.151
308 HB2 LEU 21 HB2 LEU 21 -6.517 3.121 -1.079
309 HB3 LEU 21 HB1 LEU 21 -5.180 4.227 -0.887
310 HG LEU 21 HG LEU 21 -5.080 2.680 0.881
311 HD11 LEU 21 HD11 LEU 21 -6.187 5.261 1.920
312 HD12 LEU 21 HD12 LEU 21 -4.506 4.885 1.539
313 HD13 LEU 21 HD13 LEU 21 -5.318 4.063 2.869
314 HD21 LEU 21 HD21 LEU 21 -6.909 2.316 2.486
315 HD22 LEU 21 HD22 LEU 21 -7.304 1.813 0.843
316 HD23 LEU 21 HD23 LEU 21 -7.955 3.330 1.480
317 H GLY 22 HN GLY 22 -7.542 4.336 -3.001
318 HA2 GLY 22 HA2 GLY 22 -7.320 5.236 -5.103
319 HA3 GLY 22 HA1 GLY 22 -7.191 6.829 -4.361
320 H HIS 23 HN HIS 23 -5.458 7.476 -5.643
321 HA HIS 23 HA HIS 23 -3.038 5.933 -5.703
322 HB2 HIS 23 HB2 HIS 23 -3.570 8.799 -6.527
323 HB3 HIS 23 HB1 HIS 23 -2.049 7.954 -6.780
324 HD1 HIS 23 HD1 HIS 23 -5.252 8.613 -8.366
325 HD2 HIS 23 HD2 HIS 23 -2.347 5.657 -8.536
326 HE1 HIS 23 HE1 HIS 23 -5.628 7.378 -10.528
327 H GLN 24 HN GLN 24 -1.819 5.758 -4.012
328 HA GLN 24 HA GLN 24 -1.695 8.026 -2.186
329 HB2 GLN 24 HB2 GLN 24 -1.495 5.094 -1.630
330 HB3 GLN 24 HB1 GLN 24 -0.965 6.308 -0.476
331 HG2 GLN 24 HG2 GLN 24 -3.746 6.138 -1.610
332 HG3 GLN 24 HG1 GLN 24 -3.250 5.499 -0.040
333 HE21 GLN 24 1HE2 GLN 24 -5.152 7.665 -0.812
334 HE22 GLN 24 2HE2 GLN 24 -4.638 9.030 0.107
335 H CYS 25 HN CYS 25 0.041 9.041 -2.138
336 HA CYS 25 HA CYS 25 2.546 7.786 -2.943
337 HB2 CYS 25 HB2 CYS 25 1.817 10.688 -2.474
338 HB3 CYS 25 HB1 CYS 25 3.399 10.101 -2.989
339 H PHE 26 HN PHE 26 3.906 7.249 -1.483
340 HA PHE 26 HA PHE 26 3.118 7.572 1.291
341 HB2 PHE 26 HB2 PHE 26 5.447 6.030 0.142
342 HB3 PHE 26 HB1 PHE 26 4.818 5.903 1.778
343 HD1 PHE 26 HD1 PHE 26 2.270 5.246 1.926
344 HD2 PHE 26 HD2 PHE 26 4.766 4.492 -1.429
345 HE1 PHE 26 HE1 PHE 26 0.753 3.457 1.203
346 HE2 PHE 26 HE2 PHE 26 3.253 2.705 -2.161
347 HZ PHE 26 HZ PHE 26 1.240 2.186 -0.842
348 HA PRO 27 HA PRO 27 5.950 11.076 1.426
349 HB2 PRO 27 HB2 PRO 27 5.160 12.064 3.824
350 HB3 PRO 27 HB1 PRO 27 4.237 12.311 2.339
351 HG2 PRO 27 HG2 PRO 27 3.772 10.376 4.561
352 HG3 PRO 27 HG1 PRO 27 2.596 11.305 3.617
353 HD2 PRO 27 HD2 PRO 27 3.169 8.656 3.189
354 HD3 PRO 27 HD1 PRO 27 2.541 9.750 1.940
355 H ASP 28 HN ASP 28 5.575 8.627 3.825
356 HA ASP 28 HA ASP 28 8.266 9.173 4.918
357 HB2 ASP 28 HB2 ASP 28 6.057 7.398 5.999
358 HB3 ASP 28 HB1 ASP 28 7.612 7.676 6.763
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 -5.961 -7.560 4.671
2 HA2 GLY 1 HA2 GLY 1 -7.242 -5.948 3.535
3 HA3 GLY 1 HA1 GLY 1 -8.000 -5.505 5.070
4 H PHE 2 HN PHE 2 -7.296 -3.314 4.076
5 HA PHE 2 HA PHE 2 -4.845 -2.653 5.464
6 HB2 PHE 2 HB2 PHE 2 -4.091 -3.258 3.183
7 HB3 PHE 2 HB1 PHE 2 -5.143 -2.017 2.523
8 HD1 PHE 2 HD1 PHE 2 -4.138 -0.036 1.942
9 HD2 PHE 2 HD2 PHE 2 -2.467 -2.324 5.114
10 HE1 PHE 2 HE1 PHE 2 -2.317 1.599 2.158
11 HE2 PHE 2 HE2 PHE 2 -0.643 -0.693 5.337
12 HZ PHE 2 HZ PHE 2 -0.565 1.272 3.856
13 H CYS 3 HN CYS 3 -5.171 -0.925 6.584
14 HA CYS 3 HA CYS 3 -7.110 1.048 5.656
15 HB2 CYS 3 HB2 CYS 3 -6.165 0.409 8.457
16 HB3 CYS 3 HB1 CYS 3 -7.229 1.740 8.030
17 H TRP 4 HN TRP 4 -6.379 2.986 5.229
18 HA TRP 4 HA TRP 4 -3.988 4.028 6.413
19 HB2 TRP 4 HB2 TRP 4 -3.083 2.696 4.542
20 HB3 TRP 4 HB1 TRP 4 -4.176 3.491 3.428
21 HD1 TRP 4 HD1 TRP 4 -3.542 6.017 2.715
22 HE1 TRP 4 HE1 TRP 4 -1.334 7.317 2.802
23 HE3 TRP 4 3HE TRP 4 -0.940 2.969 5.887
24 HZ2 TRP 4 HZ2 TRP 4 1.189 7.081 4.041
25 HZ3 TRP 4 HZ3 TRP 4 1.378 3.580 6.457
26 HH2 TRP 4 2HH TRP 4 2.412 5.591 5.552
27 H HIS 5 HN HIS 5 -4.209 6.203 6.525
28 HA HIS 5 HA HIS 5 -5.018 8.307 6.287
29 HB2 HIS 5 HB2 HIS 5 -4.341 7.785 3.876
30 HB3 HIS 5 HB1 HIS 5 -6.024 7.400 3.566
31 HD1 HIS 5 HD1 HIS 5 -7.128 9.303 2.385
32 HD2 HIS 5 HD2 HIS 5 -4.222 10.570 5.066
33 HE1 HIS 5 HE1 HIS 5 -7.045 11.813 2.187
34 H HIS 6 HN HIS 6 -6.647 6.029 7.282
35 HA HIS 6 HA HIS 6 -8.552 5.685 8.335
36 HB2 HIS 6 HB2 HIS 6 -9.291 8.460 7.416
37 HB3 HIS 6 HB1 HIS 6 -10.392 7.457 8.348
38 HD1 HIS 6 HD1 HIS 6 -10.245 7.835 10.809
39 HD2 HIS 6 HD2 HIS 6 -6.700 8.763 8.859
40 HE1 HIS 6 HE1 HIS 6 -8.669 8.700 12.591
41 H SER 7 HN SER 7 -8.133 5.278 5.320
42 HA SER 7 HA SER 7 -10.904 4.469 4.827
43 HB2 SER 7 HB2 SER 7 -8.642 4.974 2.888
44 HB3 SER 7 HB1 SER 7 -10.298 4.544 2.447
45 HG SER 7 HG SER 7 -10.574 6.594 3.977
46 H CYS 8 HN CYS 8 -11.202 2.241 4.288
47 HA CYS 8 HA CYS 8 -8.792 0.587 4.568
48 HB2 CYS 8 HB2 CYS 8 -11.525 0.054 5.730
49 HB3 CYS 8 HB1 CYS 8 -10.150 -1.036 5.807
50 H VAL 9 HN VAL 9 -8.601 -1.070 3.209
51 HA VAL 9 HA VAL 9 -10.860 -1.651 1.457
52 HB VAL 9 HB VAL 9 -9.187 -2.657 -0.151
53 HG11 VAL 9 HG11 VAL 9 -8.346 -0.523 -1.025
54 HG12 VAL 9 HG12 VAL 9 -8.783 0.257 0.496
55 HG13 VAL 9 3HG1 VAL 9 -10.039 -0.422 -0.538
56 HG21 VAL 9 HG21 VAL 9 -7.362 -3.089 1.412
57 HG22 VAL 9 HG22 VAL 9 -7.161 -1.359 1.675
58 HG23 VAL 9 HG23 VAL 9 -6.805 -2.055 0.095
59 HA PRO 10 HA PRO 10 -11.203 -5.552 3.453
60 HB2 PRO 10 HB2 PRO 10 -11.920 -6.806 0.888
61 HB3 PRO 10 HB1 PRO 10 -12.895 -6.603 2.345
62 HG2 PRO 10 HG2 PRO 10 -13.388 -5.178 0.133
63 HG3 PRO 10 HG1 PRO 10 -13.583 -4.476 1.748
64 HD2 PRO 10 HD2 PRO 10 -11.331 -4.156 -0.197
65 HD3 PRO 10 HD1 PRO 10 -12.148 -2.934 0.805
66 H SER 11 HN SER 11 -10.466 -7.752 3.529
67 HA SER 11 HA SER 11 -7.791 -8.135 2.863
68 HB2 SER 11 HB2 SER 11 -8.337 -10.513 3.571
69 HB3 SER 11 HB1 SER 11 -8.714 -9.259 4.751
70 HG SER 11 HG SER 11 -10.453 -10.697 3.065
71 H GLY 12 HN GLY 12 -6.842 -9.147 1.149
72 HA2 GLY 12 HA2 GLY 12 -7.050 -10.739 -0.683
73 HA3 GLY 12 HA1 GLY 12 -8.683 -10.138 -0.912
74 H THR 13 HN THR 13 -7.566 -7.377 -0.291
75 HA THR 13 HA THR 13 -7.207 -6.609 -2.988
76 HB THR 13 HB THR 13 -6.692 -5.011 -0.466
77 HG1 THR 13 HG1 THR 13 -8.772 -5.435 -0.244
78 HG21 THR 13 HG21 THR 13 -7.228 -3.076 -1.906
79 HG22 THR 13 HG22 THR 13 -7.404 -4.160 -3.287
80 HG23 THR 13 HG23 THR 13 -5.830 -3.956 -2.523
81 H CYS 14 HN CYS 14 -5.382 -6.285 -4.140
82 HA CYS 14 HA CYS 14 -2.806 -6.519 -2.755
83 HB2 CYS 14 HB2 CYS 14 -3.443 -7.369 -5.592
84 HB3 CYS 14 HB1 CYS 14 -1.936 -7.614 -4.715
85 H ALA 15 HN ALA 15 -1.290 -5.007 -3.284
86 HA ALA 15 HA ALA 15 -2.118 -2.982 -5.243
87 HB1 ALA 15 HB1 ALA 15 -0.995 -1.306 -3.860
88 HB2 ALA 15 HB2 ALA 15 -0.600 -2.554 -2.675
89 HB3 ALA 15 HB3 ALA 15 -2.282 -2.115 -2.967
90 H ASP 16 HN ASP 16 -0.604 -2.290 -6.658
91 HA ASP 16 HA ASP 16 1.766 -3.955 -6.875
92 HB2 ASP 16 HB2 ASP 16 0.373 -3.731 -8.864
93 HB3 ASP 16 HB1 ASP 16 0.529 -1.979 -8.804
94 H PHE 17 HN PHE 17 3.437 -3.276 -5.815
95 HA PHE 17 HA PHE 17 4.114 -0.415 -5.731
96 HB2 PHE 17 HB2 PHE 17 4.980 -2.733 -4.005
97 HB3 PHE 17 HB1 PHE 17 5.550 -1.087 -3.824
98 HD1 PHE 17 HD1 PHE 17 3.882 0.664 -3.161
99 HD2 PHE 17 HD2 PHE 17 3.078 -3.496 -2.952
100 HE1 PHE 17 HE1 PHE 17 2.118 1.101 -1.542
101 HE2 PHE 17 HE2 PHE 17 1.285 -3.077 -1.327
102 HZ PHE 17 HZ PHE 17 0.798 -0.778 -0.611
103 HA PRO 18 HA PRO 18 7.940 -1.553 -7.914
104 HB2 PRO 18 HB2 PRO 18 9.559 0.005 -6.023
105 HB3 PRO 18 HB1 PRO 18 9.279 0.301 -7.738
106 HG2 PRO 18 HG2 PRO 18 8.243 1.889 -5.818
107 HG3 PRO 18 HG1 PRO 18 7.412 1.579 -7.352
108 HD2 PRO 18 HD2 PRO 18 6.880 0.399 -4.645
109 HD3 PRO 18 HD1 PRO 18 5.746 0.912 -5.893
110 H TRP 19 HN TRP 19 10.163 -2.481 -7.424
111 HA TRP 19 HA TRP 19 10.044 -4.632 -5.610
112 HB2 TRP 19 HB2 TRP 19 11.493 -4.435 -7.713
113 HB3 TRP 19 HB1 TRP 19 12.539 -3.358 -6.805
114 HD1 TRP 19 HD1 TRP 19 11.479 -7.041 -7.004
115 HE1 TRP 19 HE1 TRP 19 13.248 -8.485 -5.832
116 HE3 TRP 19 3HE TRP 19 14.394 -3.322 -5.066
117 HZ2 TRP 19 HZ2 TRP 19 15.585 -8.100 -4.292
118 HZ3 TRP 19 HZ3 TRP 19 16.385 -3.946 -3.754
119 HH2 TRP 19 2HH TRP 19 16.964 -6.285 -3.378
120 HA PRO 20 HA PRO 20 11.286 -5.797 -4.246
121 HB2 PRO 20 HB2 PRO 20 11.526 -6.376 -1.537
122 HB3 PRO 20 HB1 PRO 20 12.851 -6.277 -2.696
123 HG2 PRO 20 HG2 PRO 20 12.415 -4.538 -0.505
124 HG3 PRO 20 HG1 PRO 20 13.563 -4.302 -1.828
125 HD2 PRO 20 HD2 PRO 20 10.830 -3.169 -1.467
126 HD3 PRO 20 HD1 PRO 20 12.267 -2.442 -2.217
127 H LEU 21 HN LEU 21 8.970 -3.832 -3.279
128 HA LEU 21 HA LEU 21 7.391 -5.618 -1.699
129 HB2 LEU 21 HB2 LEU 21 6.835 -2.955 -2.942
130 HB3 LEU 21 HB1 LEU 21 5.548 -3.905 -2.226
131 HG LEU 21 HG LEU 21 7.996 -2.960 -0.727
132 HD11 LEU 21 HD11 LEU 21 6.567 -1.081 -1.434
133 HD12 LEU 21 HD12 LEU 21 6.488 -1.349 0.306
134 HD13 LEU 21 HD13 LEU 21 5.170 -1.897 -0.731
135 HD21 LEU 21 HD21 LEU 21 6.729 -3.617 1.217
136 HD22 LEU 21 HD22 LEU 21 6.921 -5.001 0.141
137 HD23 LEU 21 HD23 LEU 21 5.393 -4.122 0.195
138 H GLY 22 HN GLY 22 6.996 -4.309 -4.985
139 HA2 GLY 22 HA2 GLY 22 6.053 -5.313 -6.824
140 HA3 GLY 22 HA1 GLY 22 6.156 -6.848 -5.964
141 H HIS 23 HN HIS 23 4.062 -7.610 -6.335
142 HA HIS 23 HA HIS 23 1.957 -5.790 -5.531
143 HB2 HIS 23 HB2 HIS 23 0.320 -7.359 -6.477
144 HB3 HIS 23 HB1 HIS 23 1.515 -6.914 -7.672
145 HD1 HIS 23 HD1 HIS 23 3.224 -8.914 -8.378
146 HD2 HIS 23 HD2 HIS 23 0.051 -9.982 -5.914
147 HE1 HIS 23 HE1 HIS 23 3.039 -11.418 -8.507
148 H GLN 24 HN GLN 24 1.702 -5.667 -3.527
149 HA GLN 24 HA GLN 24 1.915 -8.082 -1.921
150 HB2 GLN 24 HB2 GLN 24 1.945 -5.178 -1.141
151 HB3 GLN 24 HB1 GLN 24 1.861 -6.485 0.035
152 HG2 GLN 24 HG2 GLN 24 4.055 -6.135 -1.995
153 HG3 GLN 24 HG1 GLN 24 4.143 -5.657 -0.298
154 HE21 GLN 24 1HE2 GLN 24 5.628 -7.660 -1.929
155 HE22 GLN 24 2HE2 GLN 24 5.552 -9.120 -1.031
156 H CYS 25 HN CYS 25 0.284 -9.072 -1.196
157 HA CYS 25 HA CYS 25 -2.342 -7.860 -1.468
158 HB2 CYS 25 HB2 CYS 25 -1.513 -10.737 -1.066
159 HB3 CYS 25 HB1 CYS 25 -3.163 -10.160 -1.288
160 H PHE 26 HN PHE 26 -3.522 -7.415 0.208
161 HA PHE 26 HA PHE 26 -2.236 -7.585 2.816
162 HB2 PHE 26 HB2 PHE 26 -4.684 -6.044 1.950
163 HB3 PHE 26 HB1 PHE 26 -3.844 -5.869 3.485
164 HD1 PHE 26 HD1 PHE 26 -1.381 -5.121 3.384
165 HD2 PHE 26 HD2 PHE 26 -4.079 -4.740 0.118
166 HE1 PHE 26 HE1 PHE 26 0.077 -3.414 2.382
167 HE2 PHE 26 HE2 PHE 26 -2.627 -3.035 -0.889
168 HZ PHE 26 HZ PHE 26 -0.543 -2.370 0.241
169 HA PRO 27 HA PRO 27 -4.968 -11.170 3.494
170 HB2 PRO 27 HB2 PRO 27 -3.453 -11.335 6.017
171 HB3 PRO 27 HB1 PRO 27 -3.658 -12.548 4.751
172 HG2 PRO 27 HG2 PRO 27 -1.330 -11.282 5.096
173 HG3 PRO 27 HG1 PRO 27 -1.922 -11.704 3.480
174 HD2 PRO 27 HD2 PRO 27 -1.961 -9.059 4.876
175 HD3 PRO 27 HD1 PRO 27 -1.596 -9.452 3.185
176 H ASP 28 HN ASP 28 -4.326 -8.584 5.810
177 HA ASP 28 HA ASP 28 -6.822 -9.259 7.240
178 HB2 ASP 28 HB2 ASP 28 -4.654 -7.268 7.988
179 HB3 ASP 28 HB1 ASP 28 -6.096 -7.577 8.926
180 H1 GLY 1 HN GLY 1 7.545 7.357 2.277
181 HA2 GLY 1 HA2 GLY 1 8.235 5.510 0.988
182 HA3 GLY 1 HA1 GLY 1 9.368 5.072 2.270
183 H PHE 2 HN PHE 2 8.130 2.958 1.685
184 HA PHE 2 HA PHE 2 6.098 2.664 3.747
185 HB2 PHE 2 HB2 PHE 2 4.801 3.131 1.685
186 HB3 PHE 2 HB1 PHE 2 5.615 1.798 0.879
187 HD1 PHE 2 HD1 PHE 2 4.587 -0.278 0.852
188 HD2 PHE 2 HD2 PHE 2 3.526 2.508 3.887
189 HE1 PHE 2 HE1 PHE 2 2.845 -1.816 1.650
190 HE2 PHE 2 HE2 PHE 2 1.781 0.974 4.691
191 HZ PHE 2 HZ PHE 2 1.439 -1.192 3.571
192 H CYS 3 HN CYS 3 6.119 0.591 4.624
193 HA CYS 3 HA CYS 3 7.880 -1.295 3.296
194 HB2 CYS 3 HB2 CYS 3 9.125 0.030 5.069
195 HB3 CYS 3 HB1 CYS 3 8.064 -0.720 6.257
196 H TRP 4 HN TRP 4 7.138 -3.269 3.265
197 HA TRP 4 HA TRP 4 5.237 -4.242 5.212
198 HB2 TRP 4 HB2 TRP 4 3.853 -3.089 3.451
199 HB3 TRP 4 HB1 TRP 4 4.611 -4.100 2.234
200 HD1 TRP 4 HD1 TRP 4 3.814 -6.682 2.128
201 HE1 TRP 4 HE1 TRP 4 1.703 -7.855 2.997
202 HE3 TRP 4 3HE TRP 4 2.160 -3.056 5.317
203 HZ2 TRP 4 HZ2 TRP 4 -0.408 -7.296 4.793
204 HZ3 TRP 4 HZ3 TRP 4 0.083 -3.444 6.564
205 HH2 TRP 4 2HH TRP 4 -1.175 -5.518 6.310
206 H HIS 5 HN HIS 5 5.409 -6.488 5.283
207 HA HIS 5 HA HIS 5 6.319 -8.558 5.023
208 HB2 HIS 5 HB2 HIS 5 4.994 -8.302 2.874
209 HB3 HIS 5 HB1 HIS 5 6.479 -7.797 2.081
210 HD1 HIS 5 HD1 HIS 5 7.486 -9.676 0.791
211 HD2 HIS 5 HD2 HIS 5 5.442 -11.007 4.149
212 HE1 HIS 5 HE1 HIS 5 7.655 -12.190 0.765
213 H HIS 6 HN HIS 6 8.012 -6.455 5.723
214 HA HIS 6 HA HIS 6 10.155 -6.025 6.238
215 HB2 HIS 6 HB2 HIS 6 10.779 -8.697 4.951
216 HB3 HIS 6 HB1 HIS 6 11.890 -7.770 5.950
217 HD1 HIS 6 HD1 HIS 6 11.426 -7.786 8.546
218 HD2 HIS 6 HD2 HIS 6 8.845 -10.123 6.279
219 HE1 HIS 6 HE1 HIS 6 10.160 -9.226 10.185
220 H SER 7 HN SER 7 8.991 -5.509 3.474
221 HA SER 7 HA SER 7 11.527 -4.885 2.156
222 HB2 SER 7 HB2 SER 7 8.825 -5.450 0.931
223 HB3 SER 7 HB1 SER 7 10.313 -5.108 0.043
224 HG SER 7 HG SER 7 9.675 -7.345 1.646
225 H CYS 8 HN CYS 8 11.917 -2.763 2.321
226 HA CYS 8 HA CYS 8 9.638 -0.944 2.593
227 HB2 CYS 8 HB2 CYS 8 12.521 -0.361 3.243
228 HB3 CYS 8 HB1 CYS 8 11.097 0.509 3.784
229 H VAL 9 HN VAL 9 9.303 0.560 1.057
230 HA VAL 9 HA VAL 9 11.284 0.769 -1.073
231 HB VAL 9 HB VAL 9 9.475 1.807 -2.478
232 HG11 VAL 9 HG11 VAL 9 10.002 -0.533 -2.727
233 HG12 VAL 9 HG12 VAL 9 8.266 -0.284 -2.919
234 HG13 VAL 9 3HG1 VAL 9 8.902 -0.946 -1.413
235 HG21 VAL 9 HG21 VAL 9 7.126 1.551 -1.770
236 HG22 VAL 9 HG22 VAL 9 8.017 2.636 -0.703
237 HG23 VAL 9 HG23 VAL 9 7.675 0.984 -0.192
238 HA PRO 10 HA PRO 10 12.732 4.740 -0.095
239 HB2 PRO 10 HB2 PRO 10 12.124 5.549 -2.892
240 HB3 PRO 10 HB1 PRO 10 13.636 5.682 -1.984
241 HG2 PRO 10 HG2 PRO 10 13.369 3.791 -3.792
242 HG3 PRO 10 HG1 PRO 10 14.125 3.419 -2.231
243 HD2 PRO 10 HD2 PRO 10 11.358 2.804 -3.185
244 HD3 PRO 10 HD1 PRO 10 12.491 1.799 -2.252
245 H SER 11 HN SER 11 12.264 6.796 0.379
246 HA SER 11 HA SER 11 9.611 7.586 0.906
247 HB2 SER 11 HB2 SER 11 12.131 9.244 0.767
248 HB3 SER 11 HB1 SER 11 10.659 9.629 1.662
249 HG SER 11 HG SER 11 11.453 7.189 2.391
250 H GLY 12 HN GLY 12 8.139 8.443 -0.466
251 HA2 GLY 12 HA2 GLY 12 7.659 10.283 -1.954
252 HA3 GLY 12 HA1 GLY 12 9.174 9.923 -2.775
253 H THR 13 HN THR 13 8.148 6.988 -2.129
254 HA THR 13 HA THR 13 7.248 6.444 -4.735
255 HB THR 13 HB THR 13 7.105 4.788 -2.206
256 HG1 THR 13 HG1 THR 13 9.188 4.994 -2.611
257 HG21 THR 13 HG21 THR 13 6.837 3.918 -5.093
258 HG22 THR 13 HG22 THR 13 5.533 3.942 -3.908
259 HG23 THR 13 HG23 THR 13 6.896 2.841 -3.699
260 H CYS 14 HN CYS 14 5.294 6.803 -5.571
261 HA CYS 14 HA CYS 14 3.005 7.053 -3.792
262 HB2 CYS 14 HB2 CYS 14 3.295 7.838 -6.699
263 HB3 CYS 14 HB1 CYS 14 1.888 8.136 -5.697
264 H ALA 15 HN ALA 15 1.182 5.677 -4.074
265 HA ALA 15 HA ALA 15 1.461 3.681 -6.176
266 HB1 ALA 15 HB1 ALA 15 2.312 2.704 -4.095
267 HB2 ALA 15 HB2 ALA 15 0.828 1.914 -4.627
268 HB3 ALA 15 HB3 ALA 15 0.781 3.076 -3.302
269 H ASP 16 HN ASP 16 -0.453 2.740 -6.833
270 HA ASP 16 HA ASP 16 -2.823 4.376 -6.365
271 HB2 ASP 16 HB2 ASP 16 -2.178 4.163 -8.696
272 HB3 ASP 16 HB1 ASP 16 -2.122 2.412 -8.556
273 H PHE 17 HN PHE 17 -4.248 3.617 -5.016
274 HA PHE 17 HA PHE 17 -4.539 0.724 -4.671
275 HB2 PHE 17 HB2 PHE 17 -5.101 3.030 -2.796
276 HB3 PHE 17 HB1 PHE 17 -5.595 1.376 -2.485
277 HD1 PHE 17 HD1 PHE 17 -4.059 -0.229 -1.698
278 HD2 PHE 17 HD2 PHE 17 -2.743 3.668 -2.749
279 HE1 PHE 17 HE1 PHE 17 -1.925 -0.652 -0.559
280 HE2 PHE 17 HE2 PHE 17 -0.604 3.256 -1.615
281 HZ PHE 17 HZ PHE 17 -0.197 1.083 -0.516
282 HA PRO 18 HA PRO 18 -8.778 1.363 -6.052
283 HB2 PRO 18 HB2 PRO 18 -9.767 -0.467 -3.983
284 HB3 PRO 18 HB1 PRO 18 -9.764 -0.680 -5.735
285 HG2 PRO 18 HG2 PRO 18 -8.167 -2.121 -4.106
286 HG3 PRO 18 HG1 PRO 18 -7.680 -1.657 -5.746
287 HD2 PRO 18 HD2 PRO 18 -6.910 -0.451 -3.122
288 HD3 PRO 18 HD1 PRO 18 -5.912 -0.777 -4.556
289 H TRP 19 HN TRP 19 -10.954 1.905 -5.138
290 HA TRP 19 HA TRP 19 -10.811 4.008 -3.264
291 HB2 TRP 19 HB2 TRP 19 -12.540 3.764 -5.104
292 HB3 TRP 19 HB1 TRP 19 -13.265 2.451 -4.187
293 HD1 TRP 19 HD1 TRP 19 -12.851 6.252 -4.166
294 HE1 TRP 19 HE1 TRP 19 -14.566 7.267 -2.542
295 HE3 TRP 19 3HE TRP 19 -14.691 1.945 -2.155
296 HZ2 TRP 19 HZ2 TRP 19 -16.469 6.351 -0.675
297 HZ3 TRP 19 HZ3 TRP 19 -16.464 2.095 -0.463
298 HH2 TRP 19 2HH TRP 19 -17.329 4.246 0.264
299 HA PRO 20 HA PRO 20 -11.961 4.942 -1.672
300 HB2 PRO 20 HB2 PRO 20 -11.846 5.432 1.064
301 HB3 PRO 20 HB1 PRO 20 -13.306 5.137 0.126
302 HG2 PRO 20 HG2 PRO 20 -12.215 3.458 2.140
303 HG3 PRO 20 HG1 PRO 20 -13.565 3.093 1.059
304 HD2 PRO 20 HD2 PRO 20 -10.703 2.305 0.848
305 HD3 PRO 20 HD1 PRO 20 -12.159 1.438 0.313
306 H LEU 21 HN LEU 21 -9.275 3.277 -1.109
307 HA LEU 21 HA LEU 21 -7.667 5.207 0.260
308 HB2 LEU 21 HB2 LEU 21 -6.950 2.795 -1.389
309 HB3 LEU 21 HB1 LEU 21 -5.751 3.812 -0.616
310 HG LEU 21 HG LEU 21 -7.898 2.290 0.873
311 HD11 LEU 21 HD11 LEU 21 -6.303 0.774 -0.197
312 HD12 LEU 21 HD12 LEU 21 -6.104 0.824 1.558
313 HD13 LEU 21 HD13 LEU 21 -4.971 1.690 0.519
314 HD21 LEU 21 HD21 LEU 21 -5.431 3.719 1.790
315 HD22 LEU 21 HD22 LEU 21 -6.569 2.843 2.816
316 HD23 LEU 21 HD23 LEU 21 -7.073 4.311 1.979
317 H GLY 22 HN GLY 22 -7.840 4.157 -3.110
318 HA2 GLY 22 HA2 GLY 22 -7.560 5.373 -5.030
319 HA3 GLY 22 HA1 GLY 22 -7.615 6.830 -4.038
320 H HIS 23 HN HIS 23 -5.911 7.918 -4.808
321 HA HIS 23 HA HIS 23 -3.391 6.556 -5.191
322 HB2 HIS 23 HB2 HIS 23 -4.097 8.334 -6.778
323 HB3 HIS 23 HB1 HIS 23 -4.057 9.502 -5.462
324 HD1 HIS 23 HD1 HIS 23 -1.883 10.793 -5.316
325 HD2 HIS 23 HD2 HIS 23 -1.442 7.101 -7.173
326 HE1 HIS 23 HE1 HIS 23 0.504 10.675 -6.073
327 H GLN 24 HN GLN 24 -2.137 6.185 -3.523
328 HA GLN 24 HA GLN 24 -2.042 8.189 -1.412
329 HB2 GLN 24 HB2 GLN 24 -1.941 5.179 -1.114
330 HB3 GLN 24 HB1 GLN 24 -1.536 6.304 0.177
331 HG2 GLN 24 HG2 GLN 24 -4.212 6.116 -1.199
332 HG3 GLN 24 HG1 GLN 24 -3.824 5.449 0.386
333 HE21 GLN 24 1HE2 GLN 24 -5.772 7.520 -0.446
334 HE22 GLN 24 2HE2 GLN 24 -5.388 8.899 0.532
335 H CYS 25 HN CYS 25 -0.097 8.986 -1.078
336 HA CYS 25 HA CYS 25 2.093 7.525 -2.301
337 HB2 CYS 25 HB2 CYS 25 1.456 9.688 -3.453
338 HB3 CYS 25 HB1 CYS 25 1.937 10.532 -1.985
339 H PHE 26 HN PHE 26 4.005 7.360 -1.172
340 HA PHE 26 HA PHE 26 3.620 7.797 1.701
341 HB2 PHE 26 HB2 PHE 26 5.452 5.846 0.313
342 HB3 PHE 26 HB1 PHE 26 5.071 5.906 2.030
343 HD1 PHE 26 HD1 PHE 26 2.706 5.424 2.751
344 HD2 PHE 26 HD2 PHE 26 4.124 4.645 -1.177
345 HE1 PHE 26 HE1 PHE 26 0.820 3.896 2.375
346 HE2 PHE 26 HE2 PHE 26 2.256 3.124 -1.565
347 HZ PHE 26 HZ PHE 26 0.586 2.746 0.225
348 HA PRO 27 HA PRO 27 6.910 10.830 0.807
349 HB2 PRO 27 HB2 PRO 27 6.271 11.725 3.536
350 HB3 PRO 27 HB1 PRO 27 6.238 12.637 2.025
351 HG2 PRO 27 HG2 PRO 27 3.966 11.948 3.265
352 HG3 PRO 27 HG1 PRO 27 4.089 11.954 1.497
353 HD2 PRO 27 HD2 PRO 27 4.227 9.648 3.398
354 HD3 PRO 27 HD1 PRO 27 3.357 9.797 1.854
355 H ASP 28 HN ASP 28 6.533 8.781 3.621
356 HA ASP 28 HA ASP 28 9.392 9.103 4.249
357 HB2 ASP 28 HB2 ASP 28 7.296 7.505 5.743
358 HB3 ASP 28 HB1 ASP 28 8.946 7.784 6.256
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 -5.624 -7.071 4.364
2 HA2 GLY 1 HA2 GLY 1 -6.869 -5.438 3.266
3 HA3 GLY 1 HA1 GLY 1 -7.623 -4.992 4.800
4 H PHE 2 HN PHE 2 -6.904 -2.782 3.955
5 HA PHE 2 HA PHE 2 -4.393 -2.191 5.256
6 HB2 PHE 2 HB2 PHE 2 -3.693 -2.751 2.953
7 HB3 PHE 2 HB1 PHE 2 -4.798 -1.539 2.325
8 HD1 PHE 2 HD1 PHE 2 -3.883 0.463 1.725
9 HD2 PHE 2 HD2 PHE 2 -2.036 -1.791 4.814
10 HE1 PHE 2 HE1 PHE 2 -2.113 2.160 1.893
11 HE2 PHE 2 HE2 PHE 2 -0.264 -0.102 4.991
12 HZ PHE 2 HZ PHE 2 -0.299 1.875 3.526
13 H CYS 3 HN CYS 3 -4.268 -0.058 5.966
14 HA CYS 3 HA CYS 3 -6.493 1.675 5.311
15 HB2 CYS 3 HB2 CYS 3 -5.560 0.944 8.095
16 HB3 CYS 3 HB1 CYS 3 -6.671 2.254 7.721
17 H TRP 4 HN TRP 4 -5.843 3.705 5.059
18 HA TRP 4 HA TRP 4 -3.466 4.667 6.354
19 HB2 TRP 4 HB2 TRP 4 -2.791 3.576 4.146
20 HB3 TRP 4 HB1 TRP 4 -3.727 4.809 3.333
21 HD1 TRP 4 HD1 TRP 4 -2.689 7.372 3.493
22 HE1 TRP 4 HE1 TRP 4 -0.246 8.153 3.834
23 HE3 TRP 4 3HE TRP 4 -0.671 3.038 5.288
24 HZ2 TRP 4 HZ2 TRP 4 2.189 7.069 4.725
25 HZ3 TRP 4 HZ3 TRP 4 1.720 2.992 5.851
26 HH2 TRP 4 2HH TRP 4 3.118 4.969 5.579
27 H HIS 5 HN HIS 5 -3.866 6.747 6.904
28 HA HIS 5 HA HIS 5 -5.048 8.664 7.299
29 HB2 HIS 5 HB2 HIS 5 -5.738 8.313 4.370
30 HB3 HIS 5 HB1 HIS 5 -6.358 9.662 5.307
31 HD1 HIS 5 HD1 HIS 5 -3.945 9.266 2.864
32 HD2 HIS 5 HD2 HIS 5 -3.777 10.772 6.736
33 HE1 HIS 5 HE1 HIS 5 -2.005 10.824 2.923
34 H HIS 6 HN HIS 6 -6.223 6.007 7.707
35 HA HIS 6 HA HIS 6 -8.011 5.085 8.593
36 HB2 HIS 6 HB2 HIS 6 -9.236 7.844 8.455
37 HB3 HIS 6 HB1 HIS 6 -10.106 6.453 9.095
38 HD1 HIS 6 HD1 HIS 6 -9.817 6.086 11.564
39 HD2 HIS 6 HD2 HIS 6 -6.719 8.296 9.904
40 HE1 HIS 6 HE1 HIS 6 -8.339 6.765 13.482
41 H SER 7 HN SER 7 -7.860 6.065 5.524
42 HA SER 7 HA SER 7 -10.419 5.000 4.731
43 HB2 SER 7 HB2 SER 7 -8.008 5.774 3.070
44 HB3 SER 7 HB1 SER 7 -9.665 5.559 2.494
45 HG SER 7 HG SER 7 -10.079 7.297 4.206
46 H CYS 8 HN CYS 8 -10.668 2.871 4.083
47 HA CYS 8 HA CYS 8 -8.232 1.245 4.206
48 HB2 CYS 8 HB2 CYS 8 -10.922 0.548 5.380
49 HB3 CYS 8 HB1 CYS 8 -9.496 -0.482 5.367
50 H VAL 9 HN VAL 9 -8.322 -0.745 3.146
51 HA VAL 9 HA VAL 9 -10.468 -1.105 1.207
52 HB VAL 9 HB VAL 9 -8.787 -2.181 -0.345
53 HG11 VAL 9 HG11 VAL 9 -7.824 -0.074 -1.182
54 HG12 VAL 9 HG12 VAL 9 -8.315 0.711 0.318
55 HG13 VAL 9 3HG1 VAL 9 -9.535 0.071 -0.779
56 HG21 VAL 9 HG21 VAL 9 -6.396 -1.682 -0.044
57 HG22 VAL 9 HG22 VAL 9 -7.022 -2.661 1.285
58 HG23 VAL 9 HG23 VAL 9 -6.758 -0.932 1.512
59 HA PRO 10 HA PRO 10 -11.103 -4.867 3.270
60 HB2 PRO 10 HB2 PRO 10 -12.093 -6.440 1.296
61 HB3 PRO 10 HB1 PRO 10 -13.008 -5.120 2.034
62 HG2 PRO 10 HG2 PRO 10 -11.458 -5.139 -0.530
63 HG3 PRO 10 HG1 PRO 10 -13.076 -4.491 -0.200
64 HD2 PRO 10 HD2 PRO 10 -10.924 -2.896 -0.311
65 HD3 PRO 10 HD1 PRO 10 -12.249 -2.592 0.831
66 H SER 11 HN SER 11 -10.421 -6.973 3.575
67 HA SER 11 HA SER 11 -7.826 -7.662 2.952
68 HB2 SER 11 HB2 SER 11 -10.094 -9.502 3.708
69 HB3 SER 11 HB1 SER 11 -8.374 -9.723 4.036
70 HG SER 11 HG SER 11 -9.275 -8.931 5.856
71 H GLY 12 HN GLY 12 -6.950 -8.858 1.318
72 HA2 GLY 12 HA2 GLY 12 -7.117 -10.553 -0.381
73 HA3 GLY 12 HA1 GLY 12 -8.796 -10.076 -0.624
74 H THR 13 HN THR 13 -7.629 -7.214 -0.254
75 HA THR 13 HA THR 13 -7.310 -6.654 -3.015
76 HB THR 13 HB THR 13 -6.762 -4.951 -0.566
77 HG1 THR 13 HG1 THR 13 -8.851 -5.155 -0.520
78 HG21 THR 13 HG21 THR 13 -6.917 -3.027 -2.098
79 HG22 THR 13 HG22 THR 13 -7.089 -4.129 -3.463
80 HG23 THR 13 HG23 THR 13 -5.582 -4.089 -2.548
81 H CYS 14 HN CYS 14 -5.504 -6.946 -4.137
82 HA CYS 14 HA CYS 14 -2.998 -7.022 -2.674
83 HB2 CYS 14 HB2 CYS 14 -3.567 -8.236 -5.388
84 HB3 CYS 14 HB1 CYS 14 -2.156 -8.507 -4.376
85 H ALA 15 HN ALA 15 -1.143 -6.025 -3.844
86 HA ALA 15 HA ALA 15 -1.880 -4.192 -5.945
87 HB1 ALA 15 HB1 ALA 15 -1.063 -2.227 -4.760
88 HB2 ALA 15 HB2 ALA 15 -0.771 -3.201 -3.321
89 HB3 ALA 15 HB3 ALA 15 -2.420 -2.951 -3.894
90 H ASP 16 HN ASP 16 -0.203 -3.737 -7.240
91 HA ASP 16 HA ASP 16 2.320 -4.972 -6.548
92 HB2 ASP 16 HB2 ASP 16 2.933 -4.651 -8.924
93 HB3 ASP 16 HB1 ASP 16 1.463 -5.592 -8.737
94 H PHE 17 HN PHE 17 3.915 -3.907 -5.855
95 HA PHE 17 HA PHE 17 3.950 -0.990 -6.094
96 HB2 PHE 17 HB2 PHE 17 5.119 -2.845 -4.013
97 HB3 PHE 17 HB1 PHE 17 5.379 -1.111 -4.055
98 HD1 PHE 17 HD1 PHE 17 3.571 0.412 -3.518
99 HD2 PHE 17 HD2 PHE 17 3.075 -3.800 -3.218
100 HE1 PHE 17 HE1 PHE 17 1.599 0.748 -2.113
101 HE2 PHE 17 HE2 PHE 17 1.093 -3.465 -1.805
102 HZ PHE 17 HZ PHE 17 0.353 -1.182 -1.259
103 HA PRO 18 HA PRO 18 7.935 -1.483 -8.107
104 HB2 PRO 18 HB2 PRO 18 9.025 0.619 -6.333
105 HB3 PRO 18 HB1 PRO 18 8.915 0.606 -8.096
106 HG2 PRO 18 HG2 PRO 18 7.326 2.174 -6.652
107 HG3 PRO 18 HG1 PRO 18 6.708 1.332 -8.085
108 HD2 PRO 18 HD2 PRO 18 6.373 0.614 -5.189
109 HD3 PRO 18 HD1 PRO 18 5.180 0.613 -6.501
110 H TRP 19 HN TRP 19 10.231 -1.827 -7.588
111 HA TRP 19 HA TRP 19 10.701 -3.777 -5.585
112 HB2 TRP 19 HB2 TRP 19 11.928 -3.889 -7.633
113 HB3 TRP 19 HB1 TRP 19 12.477 -2.230 -7.472
114 HD1 TRP 19 HD1 TRP 19 14.249 -1.790 -5.823
115 HE1 TRP 19 HE1 TRP 19 16.267 -3.184 -4.837
116 HE3 TRP 19 3HE TRP 19 12.431 -6.315 -6.785
117 HZ2 TRP 19 HZ2 TRP 19 16.845 -5.918 -4.514
118 HZ3 TRP 19 HZ3 TRP 19 13.688 -8.283 -6.073
119 HH2 TRP 19 2HH TRP 19 15.845 -8.106 -4.985
120 HA PRO 20 HA PRO 20 12.232 -4.608 -4.494
121 HB2 PRO 20 HB2 PRO 20 12.546 -4.891 -1.580
122 HB3 PRO 20 HB1 PRO 20 13.653 -5.345 -2.883
123 HG2 PRO 20 HG2 PRO 20 14.236 -3.283 -1.378
124 HG3 PRO 20 HG1 PRO 20 14.408 -3.271 -3.162
125 HD2 PRO 20 HD2 PRO 20 12.034 -2.193 -1.590
126 HD3 PRO 20 HD1 PRO 20 13.092 -1.279 -2.699
127 H LEU 21 HN LEU 21 9.616 -3.127 -3.382
128 HA LEU 21 HA LEU 21 8.556 -5.087 -1.581
129 HB2 LEU 21 HB2 LEU 21 8.071 -2.675 -1.387
130 HB3 LEU 21 HB1 LEU 21 7.155 -2.745 -2.876
131 HG LEU 21 HG LEU 21 5.457 -4.131 -1.799
132 HD11 LEU 21 HD11 LEU 21 6.899 -5.409 -0.323
133 HD12 LEU 21 HD12 LEU 21 5.629 -4.617 0.605
134 HD13 LEU 21 HD13 LEU 21 7.264 -3.959 0.609
135 HD21 LEU 21 HD21 LEU 21 5.278 -1.704 -1.558
136 HD22 LEU 21 HD22 LEU 21 6.236 -1.779 -0.078
137 HD23 LEU 21 HD23 LEU 21 4.647 -2.541 -0.141
138 H GLY 22 HN GLY 22 7.728 -4.063 -4.884
139 HA2 GLY 22 HA2 GLY 22 6.989 -5.318 -6.665
140 HA3 GLY 22 HA1 GLY 22 7.383 -6.754 -5.734
141 H HIS 23 HN HIS 23 5.547 -7.848 -6.368
142 HA HIS 23 HA HIS 23 2.919 -6.740 -5.967
143 HB2 HIS 23 HB2 HIS 23 3.863 -9.502 -6.720
144 HB3 HIS 23 HB1 HIS 23 2.170 -9.113 -6.474
145 HD1 HIS 23 HD1 HIS 23 0.970 -8.550 -8.589
146 HD2 HIS 23 HD2 HIS 23 5.032 -7.750 -8.827
147 HE1 HIS 23 HE1 HIS 23 1.401 -7.863 -10.956
148 H GLN 24 HN GLN 24 1.996 -6.598 -4.084
149 HA GLN 24 HA GLN 24 2.506 -8.696 -2.105
150 HB2 GLN 24 HB2 GLN 24 2.298 -5.723 -1.655
151 HB3 GLN 24 HB1 GLN 24 2.232 -6.927 -0.377
152 HG2 GLN 24 HG2 GLN 24 4.546 -6.468 -2.239
153 HG3 GLN 24 HG1 GLN 24 4.437 -5.911 -0.569
154 HE21 GLN 24 1HE2 GLN 24 6.368 -7.682 -1.796
155 HE22 GLN 24 2HE2 GLN 24 6.272 -9.170 -0.910
156 H CYS 25 HN CYS 25 0.709 -8.917 -0.588
157 HA CYS 25 HA CYS 25 -1.678 -7.685 -1.613
158 HB2 CYS 25 HB2 CYS 25 -1.461 -10.058 -2.462
159 HB3 CYS 25 HB1 CYS 25 -1.598 -10.592 -0.789
160 H PHE 26 HN PHE 26 -3.409 -7.540 -0.050
161 HA PHE 26 HA PHE 26 -2.302 -7.362 2.649
162 HB2 PHE 26 HB2 PHE 26 -4.561 -5.802 1.382
163 HB3 PHE 26 HB1 PHE 26 -3.983 -5.603 3.031
164 HD1 PHE 26 HD1 PHE 26 -1.700 -4.722 3.421
165 HD2 PHE 26 HD2 PHE 26 -3.463 -4.766 -0.442
166 HE1 PHE 26 HE1 PHE 26 -0.047 -3.085 2.656
167 HE2 PHE 26 HE2 PHE 26 -1.809 -3.125 -1.220
168 HZ PHE 26 HZ PHE 26 -0.089 -2.283 0.344
169 HA PRO 27 HA PRO 27 -5.399 -10.710 3.065
170 HB2 PRO 27 HB2 PRO 27 -3.868 -11.453 5.432
171 HB3 PRO 27 HB1 PRO 27 -4.140 -12.378 3.955
172 HG2 PRO 27 HG2 PRO 27 -1.721 -11.347 4.624
173 HG3 PRO 27 HG1 PRO 27 -2.249 -11.588 2.950
174 HD2 PRO 27 HD2 PRO 27 -2.163 -9.081 4.571
175 HD3 PRO 27 HD1 PRO 27 -1.761 -9.345 2.860
176 H ASP 28 HN ASP 28 -4.190 -8.405 5.309
177 HA ASP 28 HA ASP 28 -6.459 -8.723 7.136
178 HB2 ASP 28 HB2 ASP 28 -4.261 -8.446 8.149
179 HB3 ASP 28 HB1 ASP 28 -3.988 -6.975 7.226
180 H1 GLY 1 HN GLY 1 6.959 7.168 2.601
181 HA2 GLY 1 HA2 GLY 1 7.822 5.285 1.473
182 HA3 GLY 1 HA1 GLY 1 8.931 5.012 2.809
183 H PHE 2 HN PHE 2 7.870 2.799 2.325
184 HA PHE 2 HA PHE 2 5.853 2.318 4.324
185 HB2 PHE 2 HB2 PHE 2 4.419 2.965 2.475
186 HB3 PHE 2 HB1 PHE 2 5.270 1.885 1.386
187 HD1 PHE 2 HD1 PHE 2 4.135 -0.012 0.814
188 HD2 PHE 2 HD2 PHE 2 3.524 1.651 4.682
189 HE1 PHE 2 HE1 PHE 2 2.519 -1.790 1.313
190 HE2 PHE 2 HE2 PHE 2 1.912 -0.125 5.194
191 HZ PHE 2 HZ PHE 2 1.404 -1.848 3.514
192 H CYS 3 HN CYS 3 5.904 0.213 5.061
193 HA CYS 3 HA CYS 3 7.687 -1.630 3.669
194 HB2 CYS 3 HB2 CYS 3 7.470 -1.120 6.635
195 HB3 CYS 3 HB1 CYS 3 8.384 -2.437 5.910
196 H TRP 4 HN TRP 4 6.916 -3.643 3.473
197 HA TRP 4 HA TRP 4 4.754 -4.589 5.115
198 HB2 TRP 4 HB2 TRP 4 3.637 -3.230 3.354
199 HB3 TRP 4 HB1 TRP 4 4.387 -4.216 2.121
200 HD1 TRP 4 HD1 TRP 4 3.024 -6.299 1.378
201 HE1 TRP 4 HE1 TRP 4 0.831 -7.429 2.189
202 HE3 TRP 4 3HE TRP 4 2.316 -3.704 5.698
203 HZ2 TRP 4 HZ2 TRP 4 -0.920 -7.245 4.372
204 HZ3 TRP 4 HZ3 TRP 4 0.368 -4.239 7.096
205 HH2 TRP 4 2HH TRP 4 -1.216 -5.972 6.443
206 H HIS 5 HN HIS 5 5.003 -6.705 5.352
207 HA HIS 5 HA HIS 5 5.944 -8.744 5.334
208 HB2 HIS 5 HB2 HIS 5 5.575 -8.370 2.355
209 HB3 HIS 5 HB1 HIS 5 6.085 -9.891 3.072
210 HD1 HIS 5 HD1 HIS 5 3.360 -9.297 1.487
211 HD2 HIS 5 HD2 HIS 5 3.834 -9.720 5.582
212 HE1 HIS 5 HE1 HIS 5 1.105 -10.023 2.389
213 H HIS 6 HN HIS 6 7.756 -6.739 5.684
214 HA HIS 6 HA HIS 6 9.928 -6.527 6.074
215 HB2 HIS 6 HB2 HIS 6 10.157 -9.259 4.819
216 HB3 HIS 6 HB1 HIS 6 11.549 -8.397 5.451
217 HD1 HIS 6 HD1 HIS 6 11.914 -8.531 8.019
218 HD2 HIS 6 HD2 HIS 6 8.228 -10.009 6.768
219 HE1 HIS 6 HE1 HIS 6 10.895 -9.644 10.017
220 H SER 7 HN SER 7 8.654 -5.945 3.285
221 HA SER 7 HA SER 7 11.235 -5.115 2.181
222 HB2 SER 7 HB2 SER 7 8.683 -5.758 0.700
223 HB3 SER 7 HB1 SER 7 10.150 -5.107 -0.045
224 HG SER 7 HG SER 7 10.387 -7.387 1.525
225 H CYS 8 HN CYS 8 11.375 -2.972 1.462
226 HA CYS 8 HA CYS 8 9.150 -1.257 2.302
227 HB2 CYS 8 HB2 CYS 8 12.084 -0.809 2.820
228 HB3 CYS 8 HB1 CYS 8 10.790 0.318 3.203
229 H VAL 9 HN VAL 9 8.678 0.346 0.982
230 HA VAL 9 HA VAL 9 10.393 0.773 -1.331
231 HB VAL 9 HB VAL 9 8.496 2.195 -2.223
232 HG11 VAL 9 HG11 VAL 9 8.796 -0.098 -2.966
233 HG12 VAL 9 HG12 VAL 9 7.081 0.311 -2.873
234 HG13 VAL 9 3HG1 VAL 9 7.823 -0.667 -1.610
235 HG21 VAL 9 HG21 VAL 9 7.376 2.710 -0.112
236 HG22 VAL 9 HG22 VAL 9 6.969 1.007 0.098
237 HG23 VAL 9 HG23 VAL 9 6.261 1.925 -1.231
238 HA PRO 10 HA PRO 10 12.105 4.303 0.529
239 HB2 PRO 10 HB2 PRO 10 12.790 5.748 -1.677
240 HB3 PRO 10 HB1 PRO 10 13.676 4.321 -1.131
241 HG2 PRO 10 HG2 PRO 10 11.606 4.549 -3.281
242 HG3 PRO 10 HG1 PRO 10 13.138 3.657 -3.293
243 HD2 PRO 10 HD2 PRO 10 10.777 2.444 -2.862
244 HD3 PRO 10 HD1 PRO 10 12.271 1.905 -2.069
245 H SER 11 HN SER 11 11.948 6.659 0.639
246 HA SER 11 HA SER 11 9.310 7.510 0.864
247 HB2 SER 11 HB2 SER 11 10.628 9.712 1.287
248 HB3 SER 11 HB1 SER 11 10.830 8.360 2.402
249 HG SER 11 HG SER 11 12.567 9.437 0.547
250 H GLY 12 HN GLY 12 8.020 8.335 -0.676
251 HA2 GLY 12 HA2 GLY 12 7.759 10.080 -2.369
252 HA3 GLY 12 HA1 GLY 12 9.302 9.560 -3.036
253 H THR 13 HN THR 13 8.105 6.766 -2.202
254 HA THR 13 HA THR 13 7.222 6.060 -4.808
255 HB THR 13 HB THR 13 6.960 4.511 -2.212
256 HG1 THR 13 HG1 THR 13 9.084 4.741 -2.435
257 HG21 THR 13 HG21 THR 13 6.953 3.595 -5.096
258 HG22 THR 13 HG22 THR 13 5.557 3.627 -4.022
259 HG23 THR 13 HG23 THR 13 6.899 2.532 -3.691
260 H CYS 14 HN CYS 14 5.185 6.214 -5.586
261 HA CYS 14 HA CYS 14 3.095 6.745 -3.637
262 HB2 CYS 14 HB2 CYS 14 3.164 7.566 -6.553
263 HB3 CYS 14 HB1 CYS 14 1.892 7.951 -5.407
264 H ALA 15 HN ALA 15 1.034 5.594 -3.906
265 HA ALA 15 HA ALA 15 1.064 3.569 -5.984
266 HB1 ALA 15 HB1 ALA 15 0.420 1.842 -4.410
267 HB2 ALA 15 HB2 ALA 15 0.542 2.992 -3.079
268 HB3 ALA 15 HB3 ALA 15 1.988 2.524 -3.974
269 H ASP 16 HN ASP 16 -0.893 2.968 -6.678
270 HA ASP 16 HA ASP 16 -3.133 4.562 -5.715
271 HB2 ASP 16 HB2 ASP 16 -4.246 4.128 -7.823
272 HB3 ASP 16 HB1 ASP 16 -2.620 4.680 -8.168
273 H PHE 17 HN PHE 17 -4.845 3.632 -4.804
274 HA PHE 17 HA PHE 17 -4.923 0.715 -4.629
275 HB2 PHE 17 HB2 PHE 17 -5.505 2.798 -2.508
276 HB3 PHE 17 HB1 PHE 17 -5.875 1.092 -2.337
277 HD1 PHE 17 HD1 PHE 17 -4.103 -0.535 -2.045
278 HD2 PHE 17 HD2 PHE 17 -3.248 3.625 -2.319
279 HE1 PHE 17 HE1 PHE 17 -1.872 -0.933 -1.106
280 HE2 PHE 17 HE2 PHE 17 -1.015 3.230 -1.381
281 HZ PHE 17 HZ PHE 17 -0.325 0.944 -0.776
282 HA PRO 18 HA PRO 18 -9.235 1.118 -5.802
283 HB2 PRO 18 HB2 PRO 18 -10.029 -0.593 -3.530
284 HB3 PRO 18 HB1 PRO 18 -10.251 -0.865 -5.257
285 HG2 PRO 18 HG2 PRO 18 -8.474 -2.268 -3.843
286 HG3 PRO 18 HG1 PRO 18 -8.147 -1.786 -5.515
287 HD2 PRO 18 HD2 PRO 18 -7.123 -0.608 -2.968
288 HD3 PRO 18 HD1 PRO 18 -6.285 -0.884 -4.504
289 H TRP 19 HN TRP 19 -11.374 1.646 -4.914
290 HA TRP 19 HA TRP 19 -11.359 3.868 -3.137
291 HB2 TRP 19 HB2 TRP 19 -12.883 3.889 -4.965
292 HB3 TRP 19 HB1 TRP 19 -13.493 2.290 -4.571
293 HD1 TRP 19 HD1 TRP 19 -15.011 2.128 -2.646
294 HE1 TRP 19 HE1 TRP 19 -16.793 3.753 -1.540
295 HE3 TRP 19 3HE TRP 19 -13.114 6.406 -4.315
296 HZ2 TRP 19 HZ2 TRP 19 -17.166 6.522 -1.433
297 HZ3 TRP 19 HZ3 TRP 19 -14.155 8.510 -3.645
298 HH2 TRP 19 2HH TRP 19 -16.139 8.575 -2.258
299 HA PRO 20 HA PRO 20 -12.650 4.894 -1.936
300 HB2 PRO 20 HB2 PRO 20 -12.458 5.479 0.941
301 HB3 PRO 20 HB1 PRO 20 -13.736 5.887 -0.213
302 HG2 PRO 20 HG2 PRO 20 -14.175 4.037 1.584
303 HG3 PRO 20 HG1 PRO 20 -14.656 3.867 -0.136
304 HD2 PRO 20 HD2 PRO 20 -12.124 2.756 1.140
305 HD3 PRO 20 HD1 PRO 20 -13.405 1.830 0.313
306 H LEU 21 HN LEU 21 -10.013 3.280 -0.895
307 HA LEU 21 HA LEU 21 -8.518 5.213 0.543
308 HB2 LEU 21 HB2 LEU 21 -8.140 2.788 0.718
309 HB3 LEU 21 HB1 LEU 21 -7.564 2.761 -0.933
310 HG LEU 21 HG LEU 21 -5.602 4.061 -0.306
311 HD11 LEU 21 HD11 LEU 21 -6.799 4.023 2.460
312 HD12 LEU 21 HD12 LEU 21 -6.581 5.448 1.431
313 HD13 LEU 21 HD13 LEU 21 -5.182 4.578 2.047
314 HD21 LEU 21 HD21 LEU 21 -6.115 1.773 1.581
315 HD22 LEU 21 HD22 LEU 21 -4.539 2.445 1.162
316 HD23 LEU 21 HD23 LEU 21 -5.510 1.640 -0.071
317 H GLY 22 HN GLY 22 -8.467 4.145 -2.817
318 HA2 GLY 22 HA2 GLY 22 -8.011 5.317 -4.724
319 HA3 GLY 22 HA1 GLY 22 -8.035 6.781 -3.756
320 H HIS 23 HN HIS 23 -6.254 7.807 -4.391
321 HA HIS 23 HA HIS 23 -3.799 6.308 -4.812
322 HB2 HIS 23 HB2 HIS 23 -4.467 9.213 -5.343
323 HB3 HIS 23 HB1 HIS 23 -2.890 8.497 -5.637
324 HD1 HIS 23 HD1 HIS 23 -2.564 7.544 -7.997
325 HD2 HIS 23 HD2 HIS 23 -6.567 7.980 -6.942
326 HE1 HIS 23 HE1 HIS 23 -3.890 6.960 -10.034
327 H GLN 24 HN GLN 24 -2.302 6.148 -3.332
328 HA GLN 24 HA GLN 24 -2.133 8.203 -1.264
329 HB2 GLN 24 HB2 GLN 24 -2.052 5.219 -0.847
330 HB3 GLN 24 HB1 GLN 24 -1.568 6.392 0.362
331 HG2 GLN 24 HG2 GLN 24 -4.321 6.173 -0.830
332 HG3 GLN 24 HG1 GLN 24 -3.829 5.543 0.742
333 HE21 GLN 24 1HE2 GLN 24 -5.832 7.553 0.025
334 HE22 GLN 24 2HE2 GLN 24 -5.418 8.980 0.899
335 H CYS 25 HN CYS 25 -0.197 9.026 -1.321
336 HA CYS 25 HA CYS 25 1.874 7.373 -2.448
337 HB2 CYS 25 HB2 CYS 25 1.512 9.641 -3.449
338 HB3 CYS 25 HB1 CYS 25 1.967 10.351 -1.902
339 H PHE 26 HN PHE 26 3.989 7.325 -1.328
340 HA PHE 26 HA PHE 26 3.577 7.582 1.553
341 HB2 PHE 26 HB2 PHE 26 5.369 5.634 0.091
342 HB3 PHE 26 HB1 PHE 26 5.102 5.698 1.827
343 HD1 PHE 26 HD1 PHE 26 2.674 5.338 2.631
344 HD2 PHE 26 HD2 PHE 26 4.075 4.257 -1.235
345 HE1 PHE 26 HE1 PHE 26 0.798 3.769 2.395
346 HE2 PHE 26 HE2 PHE 26 2.208 2.690 -1.482
347 HZ PHE 26 HZ PHE 26 0.558 2.444 0.341
348 HA PRO 27 HA PRO 27 6.884 10.598 0.477
349 HB2 PRO 27 HB2 PRO 27 5.957 11.883 2.960
350 HB3 PRO 27 HB1 PRO 27 6.084 12.562 1.337
351 HG2 PRO 27 HG2 PRO 27 3.695 12.047 2.415
352 HG3 PRO 27 HG1 PRO 27 4.008 11.773 0.693
353 HD2 PRO 27 HD2 PRO 27 3.964 9.788 2.937
354 HD3 PRO 27 HD1 PRO 27 3.221 9.680 1.324
355 H ASP 28 HN ASP 28 6.148 8.896 3.409
356 HA ASP 28 HA ASP 28 8.897 9.225 4.403
357 HB2 ASP 28 HB2 ASP 28 7.149 9.582 6.087
358 HB3 ASP 28 HB1 ASP 28 6.422 8.032 5.712
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 -5.851 -7.490 4.795
2 HA2 GLY 1 HA2 GLY 1 -6.978 -5.674 3.879
3 HA3 GLY 1 HA1 GLY 1 -7.557 -5.259 5.493
4 H PHE 2 HN PHE 2 -6.849 -3.073 4.591
5 HA PHE 2 HA PHE 2 -4.314 -2.464 5.763
6 HB2 PHE 2 HB2 PHE 2 -3.596 -3.237 3.542
7 HB3 PHE 2 HB1 PHE 2 -4.695 -2.108 2.775
8 HD1 PHE 2 HD1 PHE 2 -3.804 -0.166 1.977
9 HD2 PHE 2 HD2 PHE 2 -1.921 -2.102 5.255
10 HE1 PHE 2 HE1 PHE 2 -2.034 1.528 1.953
11 HE2 PHE 2 HE2 PHE 2 -0.149 -0.414 5.241
12 HZ PHE 2 HZ PHE 2 -0.203 1.410 3.585
13 H CYS 3 HN CYS 3 -4.064 -0.225 6.095
14 HA CYS 3 HA CYS 3 -6.250 1.523 5.295
15 HB2 CYS 3 HB2 CYS 3 -5.174 1.169 8.095
16 HB3 CYS 3 HB1 CYS 3 -6.259 2.453 7.590
17 H TRP 4 HN TRP 4 -5.466 3.451 4.619
18 HA TRP 4 HA TRP 4 -3.029 4.556 5.679
19 HB2 TRP 4 HB2 TRP 4 -2.352 2.953 3.793
20 HB3 TRP 4 HB1 TRP 4 -3.212 4.028 2.701
21 HD1 TRP 4 HD1 TRP 4 -1.997 6.319 2.051
22 HE1 TRP 4 HE1 TRP 4 0.421 7.174 2.401
23 HE3 TRP 4 3HE TRP 4 -0.412 2.874 5.476
24 HZ2 TRP 4 HZ2 TRP 4 2.689 6.453 3.940
25 HZ3 TRP 4 HZ3 TRP 4 1.887 3.024 6.330
26 HH2 TRP 4 2HH TRP 4 3.400 4.779 5.574
27 H HIS 5 HN HIS 5 -3.035 6.803 5.358
28 HA HIS 5 HA HIS 5 -3.925 8.849 5.133
29 HB2 HIS 5 HB2 HIS 5 -3.342 8.337 2.739
30 HB3 HIS 5 HB1 HIS 5 -4.978 7.747 2.499
31 HD1 HIS 5 HD1 HIS 5 -6.415 9.448 1.359
32 HD2 HIS 5 HD2 HIS 5 -3.461 11.180 3.700
33 HE1 HIS 5 HE1 HIS 5 -6.723 11.936 1.135
34 H HIS 6 HN HIS 6 -5.437 6.875 6.515
35 HA HIS 6 HA HIS 6 -7.290 6.750 7.741
36 HB2 HIS 6 HB2 HIS 6 -8.185 9.278 6.326
37 HB3 HIS 6 HB1 HIS 6 -9.056 8.530 7.656
38 HD1 HIS 6 HD1 HIS 6 -7.953 8.749 10.044
39 HD2 HIS 6 HD2 HIS 6 -5.947 10.749 7.004
40 HE1 HIS 6 HE1 HIS 6 -6.361 10.351 11.182
41 H SER 7 HN SER 7 -7.148 5.941 4.642
42 HA SER 7 HA SER 7 -9.970 5.234 4.463
43 HB2 SER 7 HB2 SER 7 -7.757 5.103 2.386
44 HB3 SER 7 HB1 SER 7 -9.464 4.831 2.079
45 HG SER 7 HG SER 7 -9.376 7.123 3.249
46 H CYS 8 HN CYS 8 -10.472 2.971 4.289
47 HA CYS 8 HA CYS 8 -8.196 1.127 4.606
48 HB2 CYS 8 HB2 CYS 8 -10.839 0.976 6.079
49 HB3 CYS 8 HB1 CYS 8 -9.609 -0.275 6.066
50 H VAL 9 HN VAL 9 -8.402 -0.873 3.954
51 HA VAL 9 HA VAL 9 -10.457 -1.231 1.957
52 HB VAL 9 HB VAL 9 -8.218 -0.347 1.226
53 HG11 VAL 9 HG11 VAL 9 -7.335 -3.187 1.574
54 HG12 VAL 9 HG12 VAL 9 -6.697 -1.749 2.365
55 HG13 VAL 9 3HG1 VAL 9 -6.461 -1.978 0.630
56 HG21 VAL 9 HG21 VAL 9 -8.263 -1.447 -0.892
57 HG22 VAL 9 HG22 VAL 9 -9.876 -1.044 -0.273
58 HG23 VAL 9 HG23 VAL 9 -9.287 -2.726 -0.216
59 HA PRO 10 HA PRO 10 -11.018 -5.112 3.990
60 HB2 PRO 10 HB2 PRO 10 -11.905 -6.560 1.854
61 HB3 PRO 10 HB1 PRO 10 -12.893 -5.395 2.745
62 HG2 PRO 10 HG2 PRO 10 -11.356 -5.022 0.203
63 HG3 PRO 10 HG1 PRO 10 -13.019 -4.521 0.575
64 HD2 PRO 10 HD2 PRO 10 -11.023 -2.734 0.699
65 HD3 PRO 10 HD1 PRO 10 -12.295 -2.754 1.935
66 H SER 11 HN SER 11 -10.394 -7.287 4.086
67 HA SER 11 HA SER 11 -7.743 -7.874 3.366
68 HB2 SER 11 HB2 SER 11 -8.462 -10.165 4.238
69 HB3 SER 11 HB1 SER 11 -8.615 -8.816 5.363
70 HG SER 11 HG SER 11 -10.508 -10.430 4.281
71 H GLY 12 HN GLY 12 -6.961 -9.066 1.718
72 HA2 GLY 12 HA2 GLY 12 -7.203 -10.657 -0.050
73 HA3 GLY 12 HA1 GLY 12 -8.901 -10.207 -0.167
74 H THR 13 HN THR 13 -7.703 -7.302 0.189
75 HA THR 13 HA THR 13 -7.675 -6.680 -2.579
76 HB THR 13 HB THR 13 -6.735 -5.005 -0.228
77 HG1 THR 13 HG1 THR 13 -8.777 -5.303 0.259
78 HG21 THR 13 HG21 THR 13 -7.750 -4.185 -2.958
79 HG22 THR 13 HG22 THR 13 -6.062 -4.146 -2.454
80 HG23 THR 13 HG23 THR 13 -7.239 -3.093 -1.669
81 H CYS 14 HN CYS 14 -5.938 -6.384 -3.963
82 HA CYS 14 HA CYS 14 -3.265 -6.680 -2.820
83 HB2 CYS 14 HB2 CYS 14 -4.207 -7.797 -5.476
84 HB3 CYS 14 HB1 CYS 14 -2.583 -7.916 -4.817
85 H ALA 15 HN ALA 15 -1.818 -5.231 -3.512
86 HA ALA 15 HA ALA 15 -2.806 -3.323 -5.486
87 HB1 ALA 15 HB1 ALA 15 -2.931 -2.362 -3.247
88 HB2 ALA 15 HB2 ALA 15 -1.729 -1.525 -4.231
89 HB3 ALA 15 HB3 ALA 15 -1.215 -2.687 -3.008
90 H ASP 16 HN ASP 16 -1.275 -2.319 -6.734
91 HA ASP 16 HA ASP 16 1.082 -3.941 -7.254
92 HB2 ASP 16 HB2 ASP 16 -0.440 -3.472 -9.108
93 HB3 ASP 16 HB1 ASP 16 -0.257 -1.752 -8.835
94 H PHE 17 HN PHE 17 2.861 -3.338 -6.254
95 HA PHE 17 HA PHE 17 3.369 -0.493 -5.741
96 HB2 PHE 17 HB2 PHE 17 4.365 -2.991 -4.392
97 HB3 PHE 17 HB1 PHE 17 4.949 -1.377 -4.034
98 HD1 PHE 17 HD1 PHE 17 3.544 0.184 -2.835
99 HD2 PHE 17 HD2 PHE 17 2.289 -3.801 -3.586
100 HE1 PHE 17 HE1 PHE 17 1.862 0.380 -1.067
101 HE2 PHE 17 HE2 PHE 17 0.588 -3.597 -1.820
102 HZ PHE 17 HZ PHE 17 0.393 -1.493 -0.558
103 HA PRO 18 HA PRO 18 7.217 -0.977 -8.124
104 HB2 PRO 18 HB2 PRO 18 8.598 0.536 -5.990
105 HB3 PRO 18 HB1 PRO 18 8.413 0.952 -7.692
106 HG2 PRO 18 HG2 PRO 18 7.083 2.290 -5.816
107 HG3 PRO 18 HG1 PRO 18 6.316 1.897 -7.366
108 HD2 PRO 18 HD2 PRO 18 6.025 0.526 -4.715
109 HD3 PRO 18 HD1 PRO 18 4.770 0.996 -5.885
110 H TRP 19 HN TRP 19 9.521 -1.710 -7.734
111 HA TRP 19 HA TRP 19 9.695 -4.057 -6.161
112 HB2 TRP 19 HB2 TRP 19 11.011 -3.489 -8.259
113 HB3 TRP 19 HB1 TRP 19 11.952 -2.366 -7.291
114 HD1 TRP 19 HD1 TRP 19 11.366 -6.096 -7.834
115 HE1 TRP 19 HE1 TRP 19 13.360 -7.407 -6.917
116 HE3 TRP 19 3HE TRP 19 13.875 -2.246 -5.626
117 HZ2 TRP 19 HZ2 TRP 19 15.725 -6.873 -5.448
118 HZ3 TRP 19 HZ3 TRP 19 15.996 -2.722 -4.488
119 HH2 TRP 19 2HH TRP 19 16.904 -4.991 -4.400
120 HA PRO 20 HA PRO 20 11.098 -5.215 -4.959
121 HB2 PRO 20 HB2 PRO 20 11.595 -6.043 -2.338
122 HB3 PRO 20 HB1 PRO 20 12.812 -5.664 -3.553
123 HG2 PRO 20 HG2 PRO 20 12.315 -4.232 -1.159
124 HG3 PRO 20 HG1 PRO 20 13.368 -3.740 -2.492
125 HD2 PRO 20 HD2 PRO 20 10.560 -2.933 -1.894
126 HD3 PRO 20 HD1 PRO 20 11.873 -1.994 -2.640
127 H LEU 21 HN LEU 21 8.699 -3.601 -3.668
128 HA LEU 21 HA LEU 21 7.327 -5.591 -2.136
129 HB2 LEU 21 HB2 LEU 21 6.239 -3.102 -3.436
130 HB3 LEU 21 HB1 LEU 21 5.418 -4.059 -2.218
131 HG LEU 21 HG LEU 21 7.904 -2.395 -1.842
132 HD11 LEU 21 HD11 LEU 21 6.500 -1.094 -0.337
133 HD12 LEU 21 HD12 LEU 21 5.115 -2.101 -0.762
134 HD13 LEU 21 HD13 LEU 21 5.876 -1.080 -1.986
135 HD21 LEU 21 HD21 LEU 21 6.407 -4.070 0.151
136 HD22 LEU 21 HD22 LEU 21 7.742 -2.970 0.512
137 HD23 LEU 21 HD23 LEU 21 8.013 -4.390 -0.501
138 H GLY 22 HN GLY 22 6.658 -4.163 -5.327
139 HA2 GLY 22 HA2 GLY 22 5.788 -5.128 -7.251
140 HA3 GLY 22 HA1 GLY 22 6.046 -6.706 -6.515
141 H HIS 23 HN HIS 23 4.096 -7.729 -6.732
142 HA HIS 23 HA HIS 23 1.758 -6.174 -6.061
143 HB2 HIS 23 HB2 HIS 23 0.414 -8.205 -6.787
144 HB3 HIS 23 HB1 HIS 23 1.351 -7.433 -8.043
145 HD1 HIS 23 HD1 HIS 23 2.780 -8.981 -9.428
146 HD2 HIS 23 HD2 HIS 23 1.571 -10.712 -5.854
147 HE1 HIS 23 HE1 HIS 23 3.502 -11.387 -9.546
148 H GLN 24 HN GLN 24 1.248 -5.948 -4.095
149 HA GLN 24 HA GLN 24 1.698 -8.217 -2.333
150 HB2 GLN 24 HB2 GLN 24 1.786 -5.289 -1.704
151 HB3 GLN 24 HB1 GLN 24 1.655 -6.522 -0.454
152 HG2 GLN 24 HG2 GLN 24 3.734 -7.533 -1.302
153 HG3 GLN 24 HG1 GLN 24 3.877 -6.198 -2.444
154 HE21 GLN 24 1HE2 GLN 24 5.531 -7.089 -0.227
155 HE22 GLN 24 2HE2 GLN 24 5.735 -5.717 0.810
156 H CYS 25 HN CYS 25 0.215 -8.958 -1.108
157 HA CYS 25 HA CYS 25 -2.480 -7.884 -1.490
158 HB2 CYS 25 HB2 CYS 25 -1.585 -10.717 -0.962
159 HB3 CYS 25 HB1 CYS 25 -3.268 -10.193 -1.022
160 H PHE 26 HN PHE 26 -3.732 -7.549 0.231
161 HA PHE 26 HA PHE 26 -2.296 -7.484 2.782
162 HB2 PHE 26 HB2 PHE 26 -4.885 -6.112 2.070
163 HB3 PHE 26 HB1 PHE 26 -3.840 -5.774 3.443
164 HD1 PHE 26 HD1 PHE 26 -1.362 -5.089 2.782
165 HD2 PHE 26 HD2 PHE 26 -4.752 -4.766 0.239
166 HE1 PHE 26 HE1 PHE 26 -0.192 -3.398 1.431
167 HE2 PHE 26 HE2 PHE 26 -3.596 -3.085 -1.109
168 HZ PHE 26 HZ PHE 26 -1.324 -2.403 -0.528
169 HA PRO 27 HA PRO 27 -4.995 -11.071 3.539
170 HB2 PRO 27 HB2 PRO 27 -3.331 -11.432 5.935
171 HB3 PRO 27 HB1 PRO 27 -3.576 -12.534 4.579
172 HG2 PRO 27 HG2 PRO 27 -1.239 -11.263 4.954
173 HG3 PRO 27 HG1 PRO 27 -1.873 -11.595 3.333
174 HD2 PRO 27 HD2 PRO 27 -1.937 -9.040 4.901
175 HD3 PRO 27 HD1 PRO 27 -1.572 -9.310 3.179
176 H ASP 28 HN ASP 28 -4.112 -8.556 5.754
177 HA ASP 28 HA ASP 28 -6.540 -9.135 7.323
178 HB2 ASP 28 HB2 ASP 28 -4.050 -7.617 8.104
179 HB3 ASP 28 HB1 ASP 28 -5.494 -7.727 9.099
180 H1 GLY 1 HN GLY 1 7.087 7.283 3.373
181 HA2 GLY 1 HA2 GLY 1 7.961 5.625 1.982
182 HA3 GLY 1 HA1 GLY 1 9.035 5.125 3.291
183 H PHE 2 HN PHE 2 8.006 3.012 2.290
184 HA PHE 2 HA PHE 2 5.851 2.328 4.114
185 HB2 PHE 2 HB2 PHE 2 4.769 2.990 2.004
186 HB3 PHE 2 HB1 PHE 2 5.735 1.806 1.141
187 HD1 PHE 2 HD1 PHE 2 4.716 -0.172 0.629
188 HD2 PHE 2 HD2 PHE 2 3.459 1.960 4.077
189 HE1 PHE 2 HE1 PHE 2 2.980 -1.857 1.030
190 HE2 PHE 2 HE2 PHE 2 1.726 0.284 4.490
191 HZ PHE 2 HZ PHE 2 1.477 -1.632 2.964
192 H CYS 3 HN CYS 3 6.099 0.387 4.962
193 HA CYS 3 HA CYS 3 7.962 -1.462 3.701
194 HB2 CYS 3 HB2 CYS 3 7.773 -0.751 6.634
195 HB3 CYS 3 HB1 CYS 3 8.732 -2.076 5.983
196 H TRP 4 HN TRP 4 7.004 -3.310 3.313
197 HA TRP 4 HA TRP 4 5.045 -4.403 5.127
198 HB2 TRP 4 HB2 TRP 4 3.790 -2.883 3.538
199 HB3 TRP 4 HB1 TRP 4 4.356 -3.898 2.223
200 HD1 TRP 4 HD1 TRP 4 3.206 -6.314 1.970
201 HE1 TRP 4 HE1 TRP 4 1.002 -7.255 2.860
202 HE3 TRP 4 3HE TRP 4 2.218 -2.796 5.541
203 HZ2 TRP 4 HZ2 TRP 4 -0.929 -6.595 4.821
204 HZ3 TRP 4 HZ3 TRP 4 0.166 -3.022 6.878
205 HH2 TRP 4 2HH TRP 4 -1.373 -4.881 6.522
206 H HIS 5 HN HIS 5 5.099 -6.567 5.030
207 HA HIS 5 HA HIS 5 5.789 -8.653 4.648
208 HB2 HIS 5 HB2 HIS 5 4.455 -8.185 2.518
209 HB3 HIS 5 HB1 HIS 5 5.991 -7.884 1.717
210 HD1 HIS 5 HD1 HIS 5 6.896 -9.907 0.542
211 HD2 HIS 5 HD2 HIS 5 4.428 -10.888 3.724
212 HE1 HIS 5 HE1 HIS 5 6.762 -12.420 0.565
213 H HIS 6 HN HIS 6 7.665 -6.783 5.397
214 HA HIS 6 HA HIS 6 9.839 -6.598 5.890
215 HB2 HIS 6 HB2 HIS 6 10.071 -9.307 4.552
216 HB3 HIS 6 HB1 HIS 6 11.373 -8.536 5.453
217 HD1 HIS 6 HD1 HIS 6 11.267 -8.712 8.032
218 HD2 HIS 6 HD2 HIS 6 7.870 -10.154 6.118
219 HE1 HIS 6 HE1 HIS 6 9.913 -9.884 9.795
220 H SER 7 HN SER 7 8.853 -5.468 3.405
221 HA SER 7 HA SER 7 11.480 -4.920 2.301
222 HB2 SER 7 HB2 SER 7 9.016 -5.585 0.675
223 HB3 SER 7 HB1 SER 7 10.519 -4.978 -0.027
224 HG SER 7 HG SER 7 11.133 -6.987 1.543
225 H CYS 8 HN CYS 8 11.666 -2.728 1.466
226 HA CYS 8 HA CYS 8 9.427 -1.014 2.263
227 HB2 CYS 8 HB2 CYS 8 12.366 -0.540 2.763
228 HB3 CYS 8 HB1 CYS 8 11.072 0.601 3.084
229 H VAL 9 HN VAL 9 9.077 0.758 1.067
230 HA VAL 9 HA VAL 9 10.882 1.308 -1.181
231 HB VAL 9 HB VAL 9 8.932 2.489 -2.297
232 HG11 VAL 9 HG11 VAL 9 9.563 0.274 -3.020
233 HG12 VAL 9 HG12 VAL 9 7.807 0.449 -3.075
234 HG13 VAL 9 3HG1 VAL 9 8.569 -0.441 -1.754
235 HG21 VAL 9 HG21 VAL 9 7.540 2.858 -0.322
236 HG22 VAL 9 HG22 VAL 9 7.316 1.118 -0.150
237 HG23 VAL 9 HG23 VAL 9 6.649 1.956 -1.550
238 HA PRO 10 HA PRO 10 11.942 5.005 0.804
239 HB2 PRO 10 HB2 PRO 10 12.397 6.719 -1.234
240 HB3 PRO 10 HB1 PRO 10 13.458 5.354 -0.873
241 HG2 PRO 10 HG2 PRO 10 11.255 5.537 -2.904
242 HG3 PRO 10 HG1 PRO 10 12.902 4.920 -3.121
243 HD2 PRO 10 HD2 PRO 10 10.843 3.265 -2.743
244 HD3 PRO 10 HD1 PRO 10 12.430 2.929 -2.023
245 H SER 11 HN SER 11 11.464 7.270 1.168
246 HA SER 11 HA SER 11 8.722 7.810 1.319
247 HB2 SER 11 HB2 SER 11 9.793 10.078 2.078
248 HB3 SER 11 HB1 SER 11 9.984 8.638 3.083
249 HG SER 11 HG SER 11 11.886 10.113 2.161
250 H GLY 12 HN GLY 12 7.498 9.114 0.094
251 HA2 GLY 12 HA2 GLY 12 7.200 10.873 -1.487
252 HA3 GLY 12 HA1 GLY 12 8.794 10.507 -2.141
253 H THR 13 HN THR 13 7.961 7.554 -1.814
254 HA THR 13 HA THR 13 7.150 7.130 -4.472
255 HB THR 13 HB THR 13 7.027 5.247 -2.095
256 HG1 THR 13 HG1 THR 13 9.078 5.573 -2.186
257 HG21 THR 13 HG21 THR 13 7.199 4.655 -5.065
258 HG22 THR 13 HG22 THR 13 5.776 4.410 -4.054
259 HG23 THR 13 HG23 THR 13 7.232 3.457 -3.770
260 H CYS 14 HN CYS 14 5.131 6.729 -5.331
261 HA CYS 14 HA CYS 14 2.837 6.794 -3.522
262 HB2 CYS 14 HB2 CYS 14 2.971 8.005 -6.294
263 HB3 CYS 14 HB1 CYS 14 1.616 8.068 -5.170
264 H ALA 15 HN ALA 15 1.402 5.228 -3.877
265 HA ALA 15 HA ALA 15 1.914 3.505 -6.185
266 HB1 ALA 15 HB1 ALA 15 1.109 2.663 -3.406
267 HB2 ALA 15 HB2 ALA 15 2.706 2.464 -4.118
268 HB3 ALA 15 HB3 ALA 15 1.327 1.582 -4.786
269 H ASP 16 HN ASP 16 0.103 2.592 -7.126
270 HA ASP 16 HA ASP 16 -2.347 4.060 -6.627
271 HB2 ASP 16 HB2 ASP 16 -1.649 3.875 -8.952
272 HB3 ASP 16 HB1 ASP 16 -1.589 2.123 -8.824
273 H PHE 17 HN PHE 17 -3.581 3.284 -5.075
274 HA PHE 17 HA PHE 17 -3.793 0.405 -4.732
275 HB2 PHE 17 HB2 PHE 17 -4.704 2.722 -3.023
276 HB3 PHE 17 HB1 PHE 17 -5.037 1.040 -2.661
277 HD1 PHE 17 HD1 PHE 17 -3.451 -0.298 -1.608
278 HD2 PHE 17 HD2 PHE 17 -2.394 3.587 -2.942
279 HE1 PHE 17 HE1 PHE 17 -1.421 -0.410 -0.283
280 HE2 PHE 17 HE2 PHE 17 -0.332 3.485 -1.618
281 HZ PHE 17 HZ PHE 17 0.158 1.480 -0.274
282 HA PRO 18 HA PRO 18 -7.918 0.695 -6.423
283 HB2 PRO 18 HB2 PRO 18 -8.858 -1.389 -4.604
284 HB3 PRO 18 HB1 PRO 18 -8.612 -1.482 -6.348
285 HG2 PRO 18 HG2 PRO 18 -7.045 -2.807 -4.575
286 HG3 PRO 18 HG1 PRO 18 -6.445 -2.219 -6.135
287 HD2 PRO 18 HD2 PRO 18 -6.119 -1.031 -3.408
288 HD3 PRO 18 HD1 PRO 18 -4.941 -1.181 -4.723
289 H TRP 19 HN TRP 19 -10.171 0.985 -5.706
290 HA TRP 19 HA TRP 19 -10.562 2.849 -3.636
291 HB2 TRP 19 HB2 TRP 19 -12.075 2.865 -5.476
292 HB3 TRP 19 HB1 TRP 19 -12.404 1.148 -5.312
293 HD1 TRP 19 HD1 TRP 19 -13.855 0.463 -3.424
294 HE1 TRP 19 HE1 TRP 19 -15.887 1.573 -2.171
295 HE3 TRP 19 3HE TRP 19 -12.790 5.196 -4.511
296 HZ2 TRP 19 HZ2 TRP 19 -16.781 4.193 -1.715
297 HZ3 TRP 19 HZ3 TRP 19 -14.198 6.973 -3.604
298 HH2 TRP 19 2HH TRP 19 -16.152 6.500 -2.254
299 HA PRO 20 HA PRO 20 -12.082 3.511 -2.358
300 HB2 PRO 20 HB2 PRO 20 -11.847 3.810 0.557
301 HB3 PRO 20 HB1 PRO 20 -13.230 4.139 -0.500
302 HG2 PRO 20 HG2 PRO 20 -13.295 2.051 1.076
303 HG3 PRO 20 HG1 PRO 20 -13.799 1.973 -0.641
304 HD2 PRO 20 HD2 PRO 20 -11.075 1.199 0.472
305 HD3 PRO 20 HD1 PRO 20 -12.204 0.153 -0.429
306 H LEU 21 HN LEU 21 -9.116 2.351 -1.410
307 HA LEU 21 HA LEU 21 -7.922 4.509 -0.046
308 HB2 LEU 21 HB2 LEU 21 -6.568 2.438 -1.758
309 HB3 LEU 21 HB1 LEU 21 -5.778 3.478 -0.595
310 HG LEU 21 HG LEU 21 -7.688 1.220 -0.030
311 HD11 LEU 21 HD11 LEU 21 -4.833 1.704 0.718
312 HD12 LEU 21 HD12 LEU 21 -5.392 0.562 -0.520
313 HD13 LEU 21 HD13 LEU 21 -5.798 0.309 1.187
314 HD21 LEU 21 HD21 LEU 21 -6.441 3.168 1.880
315 HD22 LEU 21 HD22 LEU 21 -7.315 1.703 2.324
316 HD23 LEU 21 HD23 LEU 21 -8.158 3.015 1.504
317 H GLY 22 HN GLY 22 -7.190 3.523 -3.389
318 HA2 GLY 22 HA2 GLY 22 -7.187 4.999 -5.252
319 HA3 GLY 22 HA1 GLY 22 -7.149 6.360 -4.142
320 H HIS 23 HN HIS 23 -5.350 7.007 -5.682
321 HA HIS 23 HA HIS 23 -2.911 5.554 -5.254
322 HB2 HIS 23 HB2 HIS 23 -1.793 7.193 -6.685
323 HB3 HIS 23 HB1 HIS 23 -3.295 6.710 -7.443
324 HD1 HIS 23 HD1 HIS 23 -5.235 8.630 -7.480
325 HD2 HIS 23 HD2 HIS 23 -1.462 9.829 -6.200
326 HE1 HIS 23 HE1 HIS 23 -5.244 11.136 -7.522
327 H GLN 24 HN GLN 24 -1.570 5.770 -3.640
328 HA GLN 24 HA GLN 24 -1.906 8.145 -1.946
329 HB2 GLN 24 HB2 GLN 24 -1.376 5.384 -0.856
330 HB3 GLN 24 HB1 GLN 24 -1.844 6.831 0.023
331 HG2 GLN 24 HG2 GLN 24 -4.029 6.764 -1.154
332 HG3 GLN 24 HG1 GLN 24 -3.560 5.219 -1.852
333 HE21 GLN 24 1HE2 GLN 24 -4.732 6.856 0.849
334 HE22 GLN 24 2HE2 GLN 24 -4.960 5.492 1.888
335 H CYS 25 HN CYS 25 -0.086 8.929 -1.034
336 HA CYS 25 HA CYS 25 2.422 7.815 -2.013
337 HB2 CYS 25 HB2 CYS 25 1.763 10.610 -1.075
338 HB3 CYS 25 HB1 CYS 25 3.337 10.070 -1.654
339 H PHE 26 HN PHE 26 4.118 7.569 -0.646
340 HA PHE 26 HA PHE 26 3.324 7.279 2.166
341 HB2 PHE 26 HB2 PHE 26 5.730 6.047 0.833
342 HB3 PHE 26 HB1 PHE 26 4.977 5.574 2.350
343 HD1 PHE 26 HD1 PHE 26 2.431 4.849 2.103
344 HD2 PHE 26 HD2 PHE 26 5.303 4.806 -1.024
345 HE1 PHE 26 HE1 PHE 26 1.079 3.204 0.889
346 HE2 PHE 26 HE2 PHE 26 3.960 3.164 -2.248
347 HZ PHE 26 HZ PHE 26 1.845 2.365 -1.298
348 HA PRO 27 HA PRO 27 6.125 10.888 2.516
349 HB2 PRO 27 HB2 PRO 27 5.396 11.518 5.092
350 HB3 PRO 27 HB1 PRO 27 4.533 12.083 3.663
351 HG2 PRO 27 HG2 PRO 27 3.872 9.869 5.524
352 HG3 PRO 27 HG1 PRO 27 2.794 10.994 4.690
353 HD2 PRO 27 HD2 PRO 27 3.177 8.421 3.897
354 HD3 PRO 27 HD1 PRO 27 2.744 9.722 2.773
355 H ASP 28 HN ASP 28 5.713 8.319 4.886
356 HA ASP 28 HA ASP 28 8.461 8.749 5.843
357 HB2 ASP 28 HB2 ASP 28 6.273 6.931 6.891
358 HB3 ASP 28 HB1 ASP 28 7.892 7.009 7.554
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 -5.873 -7.563 4.401
2 HA2 GLY 1 HA2 GLY 1 -7.216 -5.773 3.671
3 HA3 GLY 1 HA1 GLY 1 -7.641 -5.435 5.348
4 H PHE 2 HN PHE 2 -6.939 -3.219 4.274
5 HA PHE 2 HA PHE 2 -4.322 -2.702 5.348
6 HB2 PHE 2 HB2 PHE 2 -3.750 -3.397 3.054
7 HB3 PHE 2 HB1 PHE 2 -4.866 -2.204 2.406
8 HD1 PHE 2 HD1 PHE 2 -4.032 -0.156 1.762
9 HD2 PHE 2 HD2 PHE 2 -1.893 -2.442 4.636
10 HE1 PHE 2 HE1 PHE 2 -2.238 1.525 1.758
11 HE2 PHE 2 HE2 PHE 2 -0.100 -0.765 4.632
12 HZ PHE 2 HZ PHE 2 -0.270 1.219 3.193
13 H CYS 3 HN CYS 3 -4.011 -0.544 5.851
14 HA CYS 3 HA CYS 3 -6.223 1.266 5.318
15 HB2 CYS 3 HB2 CYS 3 -4.960 0.679 7.994
16 HB3 CYS 3 HB1 CYS 3 -6.019 2.041 7.670
17 H TRP 4 HN TRP 4 -5.582 3.292 4.897
18 HA TRP 4 HA TRP 4 -3.063 4.331 5.759
19 HB2 TRP 4 HB2 TRP 4 -2.535 2.904 3.708
20 HB3 TRP 4 HB1 TRP 4 -3.509 4.022 2.771
21 HD1 TRP 4 HD1 TRP 4 -2.309 6.227 1.987
22 HE1 TRP 4 HE1 TRP 4 0.063 7.190 2.297
23 HE3 TRP 4 3HE TRP 4 -0.555 2.963 5.501
24 HZ2 TRP 4 HZ2 TRP 4 2.348 6.650 3.822
25 HZ3 TRP 4 HZ3 TRP 4 1.742 3.262 6.333
26 HH2 TRP 4 2HH TRP 4 3.157 5.075 5.501
27 H HIS 5 HN HIS 5 -3.180 6.532 5.802
28 HA HIS 5 HA HIS 5 -4.110 8.579 5.942
29 HB2 HIS 5 HB2 HIS 5 -5.241 7.795 3.250
30 HB3 HIS 5 HB1 HIS 5 -5.421 9.402 3.937
31 HD1 HIS 5 HD1 HIS 5 -3.723 8.292 1.337
32 HD2 HIS 5 HD2 HIS 5 -2.332 9.830 4.921
33 HE1 HIS 5 HE1 HIS 5 -1.403 9.174 0.867
34 H HIS 6 HN HIS 6 -5.491 6.402 7.168
35 HA HIS 6 HA HIS 6 -7.294 6.071 8.461
36 HB2 HIS 6 HB2 HIS 6 -8.244 8.759 7.439
37 HB3 HIS 6 HB1 HIS 6 -9.116 7.810 8.629
38 HD1 HIS 6 HD1 HIS 6 -8.435 8.156 11.038
39 HD2 HIS 6 HD2 HIS 6 -5.668 9.682 8.345
40 HE1 HIS 6 HE1 HIS 6 -6.804 9.517 12.403
41 H SER 7 HN SER 7 -7.220 5.685 5.334
42 HA SER 7 HA SER 7 -10.023 4.907 5.145
43 HB2 SER 7 HB2 SER 7 -7.958 5.425 3.007
44 HB3 SER 7 HB1 SER 7 -9.635 4.979 2.672
45 HG SER 7 HG SER 7 -8.742 7.328 2.803
46 H CYS 8 HN CYS 8 -10.432 2.721 4.468
47 HA CYS 8 HA CYS 8 -8.055 1.017 4.471
48 HB2 CYS 8 HB2 CYS 8 -10.614 0.486 5.983
49 HB3 CYS 8 HB1 CYS 8 -9.250 -0.616 5.856
50 H VAL 9 HN VAL 9 -8.266 -0.947 3.444
51 HA VAL 9 HA VAL 9 -10.622 -1.272 1.760
52 HB VAL 9 HB VAL 9 -9.146 -2.547 0.141
53 HG11 VAL 9 HG11 VAL 9 -9.813 -0.278 -0.371
54 HG12 VAL 9 HG12 VAL 9 -8.156 -0.555 -0.917
55 HG13 VAL 9 3HG1 VAL 9 -8.460 0.345 0.570
56 HG21 VAL 9 HG21 VAL 9 -7.272 -3.035 1.635
57 HG22 VAL 9 HG22 VAL 9 -6.899 -1.315 1.744
58 HG23 VAL 9 HG23 VAL 9 -6.713 -2.161 0.208
59 HA PRO 10 HA PRO 10 -11.332 -4.882 4.078
60 HB2 PRO 10 HB2 PRO 10 -12.627 -6.414 2.220
61 HB3 PRO 10 HB1 PRO 10 -13.376 -5.060 3.072
62 HG2 PRO 10 HG2 PRO 10 -12.152 -5.122 0.340
63 HG3 PRO 10 HG1 PRO 10 -13.673 -4.379 0.865
64 HD2 PRO 10 HD2 PRO 10 -11.464 -2.929 0.501
65 HD3 PRO 10 HD1 PRO 10 -12.598 -2.564 1.822
66 H SER 11 HN SER 11 -10.855 -7.095 4.282
67 HA SER 11 HA SER 11 -8.328 -7.895 3.501
68 HB2 SER 11 HB2 SER 11 -10.650 -9.583 4.426
69 HB3 SER 11 HB1 SER 11 -8.933 -9.977 4.564
70 HG SER 11 HG SER 11 -9.647 -9.148 6.497
71 H GLY 12 HN GLY 12 -7.617 -8.792 1.672
72 HA2 GLY 12 HA2 GLY 12 -7.900 -10.601 0.064
73 HA3 GLY 12 HA1 GLY 12 -9.571 -10.077 -0.123
74 H THR 13 HN THR 13 -8.312 -7.254 0.147
75 HA THR 13 HA THR 13 -8.212 -6.704 -2.618
76 HB THR 13 HB THR 13 -7.291 -4.969 -0.309
77 HG1 THR 13 HG1 THR 13 -9.374 -5.306 0.164
78 HG21 THR 13 HG21 THR 13 -7.855 -3.109 -1.827
79 HG22 THR 13 HG22 THR 13 -8.286 -4.267 -3.086
80 HG23 THR 13 HG23 THR 13 -6.616 -4.146 -2.536
81 H CYS 14 HN CYS 14 -6.528 -6.872 -3.960
82 HA CYS 14 HA CYS 14 -3.871 -7.182 -2.814
83 HB2 CYS 14 HB2 CYS 14 -4.797 -7.988 -5.583
84 HB3 CYS 14 HB1 CYS 14 -3.261 -8.392 -4.836
85 H ALA 15 HN ALA 15 -2.120 -5.865 -3.654
86 HA ALA 15 HA ALA 15 -2.933 -3.840 -5.580
87 HB1 ALA 15 HB1 ALA 15 -3.276 -2.874 -3.350
88 HB2 ALA 15 HB2 ALA 15 -1.974 -2.063 -4.220
89 HB3 ALA 15 HB3 ALA 15 -1.595 -3.224 -2.948
90 H ASP 16 HN ASP 16 -1.167 -2.779 -6.579
91 HA ASP 16 HA ASP 16 1.199 -4.471 -6.694
92 HB2 ASP 16 HB2 ASP 16 1.720 -3.447 -8.840
93 HB3 ASP 16 HB1 ASP 16 0.058 -4.000 -8.869
94 H PHE 17 HN PHE 17 3.212 -3.675 -6.306
95 HA PHE 17 HA PHE 17 3.462 -0.879 -5.534
96 HB2 PHE 17 HB2 PHE 17 4.477 -3.286 -3.998
97 HB3 PHE 17 HB1 PHE 17 5.001 -1.641 -3.699
98 HD1 PHE 17 HD1 PHE 17 3.646 -0.129 -2.494
99 HD2 PHE 17 HD2 PHE 17 2.225 -4.025 -3.413
100 HE1 PHE 17 HE1 PHE 17 1.840 0.153 -0.868
101 HE2 PHE 17 HE2 PHE 17 0.407 -3.750 -1.788
102 HZ PHE 17 HZ PHE 17 0.215 -1.649 -0.512
103 HA PRO 18 HA PRO 18 7.236 -1.370 -7.926
104 HB2 PRO 18 HB2 PRO 18 8.595 0.524 -6.135
105 HB3 PRO 18 HB1 PRO 18 8.178 0.719 -7.838
106 HG2 PRO 18 HG2 PRO 18 6.926 2.108 -5.909
107 HG3 PRO 18 HG1 PRO 18 6.088 1.559 -7.372
108 HD2 PRO 18 HD2 PRO 18 6.068 0.366 -4.623
109 HD3 PRO 18 HD1 PRO 18 4.721 0.638 -5.750
110 H TRP 19 HN TRP 19 9.611 -1.819 -7.565
111 HA TRP 19 HA TRP 19 10.022 -3.930 -5.734
112 HB2 TRP 19 HB2 TRP 19 11.211 -3.490 -7.975
113 HB3 TRP 19 HB1 TRP 19 12.155 -2.274 -7.129
114 HD1 TRP 19 HD1 TRP 19 11.599 -6.066 -7.248
115 HE1 TRP 19 HE1 TRP 19 13.652 -7.247 -6.278
116 HE3 TRP 19 3HE TRP 19 14.183 -1.967 -5.651
117 HZ2 TRP 19 HZ2 TRP 19 16.083 -6.534 -5.013
118 HZ3 TRP 19 HZ3 TRP 19 16.378 -2.300 -4.574
119 HH2 TRP 19 2HH TRP 19 17.302 -4.536 -4.261
120 HA PRO 20 HA PRO 20 11.613 -4.818 -4.497
121 HB2 PRO 20 HB2 PRO 20 12.182 -5.315 -1.826
122 HB3 PRO 20 HB1 PRO 20 13.361 -4.937 -3.081
123 HG2 PRO 20 HG2 PRO 20 12.696 -3.335 -0.833
124 HG3 PRO 20 HG1 PRO 20 13.727 -2.882 -2.197
125 HD2 PRO 20 HD2 PRO 20 10.859 -2.265 -1.698
126 HD3 PRO 20 HD1 PRO 20 12.089 -1.310 -2.553
127 H LEU 21 HN LEU 21 8.977 -3.411 -3.523
128 HA LEU 21 HA LEU 21 7.934 -5.438 -1.759
129 HB2 LEU 21 HB2 LEU 21 6.624 -3.061 -3.068
130 HB3 LEU 21 HB1 LEU 21 5.802 -4.148 -1.966
131 HG LEU 21 HG LEU 21 8.182 -2.430 -1.237
132 HD11 LEU 21 HD11 LEU 21 6.610 -1.165 0.071
133 HD12 LEU 21 HD12 LEU 21 5.274 -2.138 -0.552
134 HD13 LEU 21 HD13 LEU 21 6.191 -1.082 -1.644
135 HD21 LEU 21 HD21 LEU 21 7.679 -3.089 1.031
136 HD22 LEU 21 HD22 LEU 21 7.998 -4.509 0.024
137 HD23 LEU 21 HD23 LEU 21 6.347 -4.087 0.453
138 H GLY 22 HN GLY 22 6.963 -4.238 -4.962
139 HA2 GLY 22 HA2 GLY 22 6.366 -5.521 -6.816
140 HA3 GLY 22 HA1 GLY 22 6.549 -6.974 -5.836
141 H HIS 23 HN HIS 23 4.500 -7.732 -6.655
142 HA HIS 23 HA HIS 23 2.181 -6.149 -5.964
143 HB2 HIS 23 HB2 HIS 23 2.448 -8.825 -7.368
144 HB3 HIS 23 HB1 HIS 23 0.905 -8.069 -6.998
145 HD1 HIS 23 HD1 HIS 23 0.089 -7.471 -9.338
146 HD2 HIS 23 HD2 HIS 23 3.989 -6.247 -8.638
147 HE1 HIS 23 HE1 HIS 23 0.769 -6.150 -11.360
148 H GLN 24 HN GLN 24 1.228 -6.298 -4.100
149 HA GLN 24 HA GLN 24 1.665 -8.708 -2.487
150 HB2 GLN 24 HB2 GLN 24 1.764 -5.843 -1.543
151 HB3 GLN 24 HB1 GLN 24 1.823 -7.251 -0.492
152 HG2 GLN 24 HG2 GLN 24 3.921 -7.945 -1.504
153 HG3 GLN 24 HG1 GLN 24 3.855 -6.578 -2.612
154 HE21 GLN 24 1HE2 GLN 24 2.854 -4.776 -0.536
155 HE22 GLN 24 2HE2 GLN 24 4.218 -4.448 0.479
156 H CYS 25 HN CYS 25 -0.101 -9.429 -1.441
157 HA CYS 25 HA CYS 25 -2.479 -7.844 -1.894
158 HB2 CYS 25 HB2 CYS 25 -2.375 -10.058 -3.094
159 HB3 CYS 25 HB1 CYS 25 -2.370 -10.845 -1.521
160 H PHE 26 HN PHE 26 -4.079 -7.800 -0.188
161 HA PHE 26 HA PHE 26 -2.769 -8.221 2.398
162 HB2 PHE 26 HB2 PHE 26 -4.814 -6.135 1.645
163 HB3 PHE 26 HB1 PHE 26 -4.094 -6.338 3.236
164 HD1 PHE 26 HD1 PHE 26 -1.615 -5.993 3.483
165 HD2 PHE 26 HD2 PHE 26 -3.759 -4.869 -0.013
166 HE1 PHE 26 HE1 PHE 26 0.221 -4.493 2.845
167 HE2 PHE 26 HE2 PHE 26 -1.935 -3.369 -0.660
168 HZ PHE 26 HZ PHE 26 0.074 -3.184 0.781
169 HA PRO 27 HA PRO 27 -6.418 -10.988 2.693
170 HB2 PRO 27 HB2 PRO 27 -4.718 -12.449 4.581
171 HB3 PRO 27 HB1 PRO 27 -5.455 -13.024 3.085
172 HG2 PRO 27 HG2 PRO 27 -2.800 -12.662 3.306
173 HG3 PRO 27 HG1 PRO 27 -3.665 -12.366 1.786
174 HD2 PRO 27 HD2 PRO 27 -2.743 -10.401 3.856
175 HD3 PRO 27 HD1 PRO 27 -2.613 -10.315 2.083
176 H ASP 28 HN ASP 28 -4.576 -9.167 4.858
177 HA ASP 28 HA ASP 28 -6.460 -9.473 7.093
178 HB2 ASP 28 HB2 ASP 28 -4.096 -9.488 7.695
179 HB3 ASP 28 HB1 ASP 28 -3.836 -7.970 6.849
180 H1 GLY 1 HN GLY 1 7.101 7.373 2.980
181 HA2 GLY 1 HA2 GLY 1 7.678 5.584 1.648
182 HA3 GLY 1 HA1 GLY 1 8.830 5.085 2.887
183 H PHE 2 HN PHE 2 7.946 2.941 2.340
184 HA PHE 2 HA PHE 2 5.857 2.284 4.211
185 HB2 PHE 2 HB2 PHE 2 4.565 2.784 2.166
186 HB3 PHE 2 HB1 PHE 2 5.558 1.659 1.255
187 HD1 PHE 2 HD1 PHE 2 4.766 -0.479 0.936
188 HD2 PHE 2 HD2 PHE 2 3.375 1.757 4.269
189 HE1 PHE 2 HE1 PHE 2 3.223 -2.303 1.503
190 HE2 PHE 2 HE2 PHE 2 1.832 -0.055 4.846
191 HZ PHE 2 HZ PHE 2 1.750 -2.095 3.460
192 H CYS 3 HN CYS 3 6.055 0.179 4.933
193 HA CYS 3 HA CYS 3 8.168 -1.407 3.719
194 HB2 CYS 3 HB2 CYS 3 7.724 -0.879 6.660
195 HB3 CYS 3 HB1 CYS 3 8.832 -2.078 6.002
196 H TRP 4 HN TRP 4 7.677 -3.488 3.519
197 HA TRP 4 HA TRP 4 5.728 -4.780 5.156
198 HB2 TRP 4 HB2 TRP 4 4.424 -3.525 3.362
199 HB3 TRP 4 HB1 TRP 4 5.191 -4.563 2.178
200 HD1 TRP 4 HD1 TRP 4 4.294 -7.118 2.079
201 HE1 TRP 4 HE1 TRP 4 2.162 -8.220 2.998
202 HE3 TRP 4 3HE TRP 4 2.830 -3.459 5.330
203 HZ2 TRP 4 HZ2 TRP 4 0.123 -7.616 4.859
204 HZ3 TRP 4 HZ3 TRP 4 0.779 -3.798 6.641
205 HH2 TRP 4 2HH TRP 4 -0.545 -5.835 6.409
206 H HIS 5 HN HIS 5 6.241 -6.917 5.216
207 HA HIS 5 HA HIS 5 7.492 -8.796 5.046
208 HB2 HIS 5 HB2 HIS 5 7.481 -8.043 2.110
209 HB3 HIS 5 HB1 HIS 5 8.180 -9.541 2.709
210 HD1 HIS 5 HD1 HIS 5 5.655 -9.275 0.750
211 HD2 HIS 5 HD2 HIS 5 5.581 -10.109 4.815
212 HE1 HIS 5 HE1 HIS 5 3.496 -10.514 1.172
213 H HIS 6 HN HIS 6 8.732 -6.295 5.626
214 HA HIS 6 HA HIS 6 10.716 -5.482 6.232
215 HB2 HIS 6 HB2 HIS 6 11.786 -8.165 5.326
216 HB3 HIS 6 HB1 HIS 6 12.806 -6.919 6.028
217 HD1 HIS 6 HD1 HIS 6 13.058 -7.049 8.525
218 HD2 HIS 6 HD2 HIS 6 9.662 -9.015 7.163
219 HE1 HIS 6 HE1 HIS 6 12.062 -8.180 10.533
220 H SER 7 HN SER 7 9.680 -5.507 3.294
221 HA SER 7 HA SER 7 12.124 -4.407 2.170
222 HB2 SER 7 HB2 SER 7 9.515 -5.237 0.904
223 HB3 SER 7 HB1 SER 7 10.918 -4.615 0.017
224 HG SER 7 HG SER 7 11.644 -6.629 1.612
225 H CYS 8 HN CYS 8 12.113 -2.235 1.672
226 HA CYS 8 HA CYS 8 9.686 -0.771 2.384
227 HB2 CYS 8 HB2 CYS 8 12.523 -0.053 3.108
228 HB3 CYS 8 HB1 CYS 8 11.110 0.950 3.398
229 H VAL 9 HN VAL 9 9.202 0.897 1.150
230 HA VAL 9 HA VAL 9 11.036 1.560 -1.023
231 HB VAL 9 HB VAL 9 9.051 2.638 -2.151
232 HG11 VAL 9 HG11 VAL 9 7.981 0.549 -2.881
233 HG12 VAL 9 HG12 VAL 9 8.744 -0.294 -1.532
234 HG13 VAL 9 3HG1 VAL 9 9.739 0.407 -2.808
235 HG21 VAL 9 HG21 VAL 9 7.646 3.019 -0.181
236 HG22 VAL 9 HG22 VAL 9 7.467 1.279 0.037
237 HG23 VAL 9 HG23 VAL 9 6.779 2.062 -1.385
238 HA PRO 10 HA PRO 10 11.939 5.252 1.118
239 HB2 PRO 10 HB2 PRO 10 12.603 6.892 -0.957
240 HB3 PRO 10 HB1 PRO 10 13.651 5.603 -0.352
241 HG2 PRO 10 HG2 PRO 10 11.803 5.592 -2.700
242 HG3 PRO 10 HG1 PRO 10 13.462 4.975 -2.584
243 HD2 PRO 10 HD2 PRO 10 11.340 3.334 -2.442
244 HD3 PRO 10 HD1 PRO 10 12.800 3.049 -1.474
245 H SER 11 HN SER 11 11.382 7.519 1.315
246 HA SER 11 HA SER 11 8.610 7.983 1.157
247 HB2 SER 11 HB2 SER 11 10.862 9.929 1.658
248 HB3 SER 11 HB1 SER 11 9.189 10.052 2.213
249 HG SER 11 HG SER 11 10.466 9.288 3.874
250 H GLY 12 HN GLY 12 7.490 8.972 -0.449
251 HA2 GLY 12 HA2 GLY 12 7.427 10.648 -2.220
252 HA3 GLY 12 HA1 GLY 12 9.065 10.159 -2.637
253 H THR 13 HN THR 13 7.959 7.339 -1.949
254 HA THR 13 HA THR 13 7.365 6.627 -4.650
255 HB THR 13 HB THR 13 7.103 4.943 -2.134
256 HG1 THR 13 HG1 THR 13 9.189 5.431 -2.148
257 HG21 THR 13 HG21 THR 13 7.504 4.163 -5.031
258 HG22 THR 13 HG22 THR 13 6.002 3.991 -4.126
259 HG23 THR 13 HG23 THR 13 7.420 3.047 -3.667
260 H CYS 14 HN CYS 14 5.350 6.243 -5.535
261 HA CYS 14 HA CYS 14 3.066 6.540 -3.743
262 HB2 CYS 14 HB2 CYS 14 3.213 7.364 -6.659
263 HB3 CYS 14 HB1 CYS 14 1.847 7.599 -5.575
264 H ALA 15 HN ALA 15 1.216 5.280 -4.247
265 HA ALA 15 HA ALA 15 1.693 3.080 -6.078
266 HB1 ALA 15 HB1 ALA 15 0.827 2.743 -3.208
267 HB2 ALA 15 HB2 ALA 15 2.381 2.257 -3.888
268 HB3 ALA 15 HB3 ALA 15 0.898 1.456 -4.412
269 H ASP 16 HN ASP 16 -0.160 2.220 -6.932
270 HA ASP 16 HA ASP 16 -2.472 3.996 -6.697
271 HB2 ASP 16 HB2 ASP 16 -1.946 1.821 -8.738
272 HB3 ASP 16 HB1 ASP 16 -3.269 2.976 -8.774
273 H PHE 17 HN PHE 17 -3.819 3.373 -5.168
274 HA PHE 17 HA PHE 17 -4.313 0.520 -4.768
275 HB2 PHE 17 HB2 PHE 17 -4.907 2.936 -3.054
276 HB3 PHE 17 HB1 PHE 17 -5.421 1.306 -2.670
277 HD1 PHE 17 HD1 PHE 17 -3.769 -0.378 -2.065
278 HD2 PHE 17 HD2 PHE 17 -2.720 3.693 -2.634
279 HE1 PHE 17 HE1 PHE 17 -1.698 -0.750 -0.812
280 HE2 PHE 17 HE2 PHE 17 -0.632 3.338 -1.384
281 HZ PHE 17 HZ PHE 17 -0.124 1.105 -0.466
282 HA PRO 18 HA PRO 18 -8.497 1.343 -6.184
283 HB2 PRO 18 HB2 PRO 18 -9.688 -0.513 -4.298
284 HB3 PRO 18 HB1 PRO 18 -9.429 -0.734 -6.028
285 HG2 PRO 18 HG2 PRO 18 -8.092 -2.145 -4.109
286 HG3 PRO 18 HG1 PRO 18 -7.450 -1.818 -5.727
287 HD2 PRO 18 HD2 PRO 18 -6.853 -0.446 -3.138
288 HD3 PRO 18 HD1 PRO 18 -5.753 -0.897 -4.457
289 H TRP 19 HN TRP 19 -10.647 2.003 -5.322
290 HA TRP 19 HA TRP 19 -10.617 3.951 -3.286
291 HB2 TRP 19 HB2 TRP 19 -12.302 4.108 -4.969
292 HB3 TRP 19 HB1 TRP 19 -12.816 2.451 -4.714
293 HD1 TRP 19 HD1 TRP 19 -14.122 2.002 -2.623
294 HE1 TRP 19 HE1 TRP 19 -15.908 3.378 -1.260
295 HE3 TRP 19 3HE TRP 19 -12.717 6.543 -4.122
296 HZ2 TRP 19 HZ2 TRP 19 -16.505 6.118 -0.910
297 HZ3 TRP 19 HZ3 TRP 19 -13.856 8.504 -3.209
298 HH2 TRP 19 2HH TRP 19 -15.714 8.310 -1.658
299 HA PRO 20 HA PRO 20 -11.877 4.848 -1.879
300 HB2 PRO 20 HB2 PRO 20 -11.389 5.173 1.011
301 HB3 PRO 20 HB1 PRO 20 -12.776 5.680 0.034
302 HG2 PRO 20 HG2 PRO 20 -13.053 3.659 1.670
303 HG3 PRO 20 HG1 PRO 20 -13.670 3.636 -0.015
304 HD2 PRO 20 HD2 PRO 20 -11.028 2.467 0.944
305 HD3 PRO 20 HD1 PRO 20 -12.363 1.592 0.145
306 H LEU 21 HN LEU 21 -9.122 3.232 -1.183
307 HA LEU 21 HA LEU 21 -7.442 5.257 -0.103
308 HB2 LEU 21 HB2 LEU 21 -6.729 2.751 -1.615
309 HB3 LEU 21 HB1 LEU 21 -5.555 3.802 -0.849
310 HG LEU 21 HG LEU 21 -7.697 2.214 0.557
311 HD11 LEU 21 HD11 LEU 21 -5.877 0.827 -0.273
312 HD12 LEU 21 HD12 LEU 21 -5.839 0.980 1.491
313 HD13 LEU 21 HD13 LEU 21 -4.711 1.907 0.504
314 HD21 LEU 21 HD21 LEU 21 -6.594 2.948 2.602
315 HD22 LEU 21 HD22 LEU 21 -7.278 4.279 1.669
316 HD23 LEU 21 HD23 LEU 21 -5.539 3.994 1.641
317 H GLY 22 HN GLY 22 -7.548 3.904 -3.375
318 HA2 GLY 22 HA2 GLY 22 -7.337 4.983 -5.400
319 HA3 GLY 22 HA1 GLY 22 -7.370 6.518 -4.540
320 H HIS 23 HN HIS 23 -5.700 7.381 -5.742
321 HA HIS 23 HA HIS 23 -3.156 5.993 -5.885
322 HB2 HIS 23 HB2 HIS 23 -3.800 8.824 -6.796
323 HB3 HIS 23 HB1 HIS 23 -2.440 7.832 -7.301
324 HD1 HIS 23 HD1 HIS 23 -3.021 5.848 -9.069
325 HD2 HIS 23 HD2 HIS 23 -6.132 8.472 -8.176
326 HE1 HIS 23 HE1 HIS 23 -4.801 5.446 -10.789
327 H GLN 24 HN GLN 24 -1.820 6.114 -4.179
328 HA GLN 24 HA GLN 24 -1.900 8.551 -2.538
329 HB2 GLN 24 HB2 GLN 24 -1.913 5.705 -1.581
330 HB3 GLN 24 HB1 GLN 24 -1.558 7.077 -0.546
331 HG2 GLN 24 HG2 GLN 24 -3.780 7.988 -0.965
332 HG3 GLN 24 HG1 GLN 24 -4.135 6.638 -2.040
333 HE21 GLN 24 1HE2 GLN 24 -2.818 4.678 -0.388
334 HE22 GLN 24 2HE2 GLN 24 -3.831 4.454 0.991
335 H CYS 25 HN CYS 25 0.030 9.069 -1.444
336 HA CYS 25 HA CYS 25 2.328 7.608 -2.442
337 HB2 CYS 25 HB2 CYS 25 2.132 10.545 -1.734
338 HB3 CYS 25 HB1 CYS 25 3.594 9.715 -2.257
339 H PHE 26 HN PHE 26 4.186 7.605 -0.982
340 HA PHE 26 HA PHE 26 3.229 7.314 1.775
341 HB2 PHE 26 HB2 PHE 26 5.602 6.001 0.455
342 HB3 PHE 26 HB1 PHE 26 4.985 5.669 2.066
343 HD1 PHE 26 HD1 PHE 26 2.446 4.931 2.120
344 HD2 PHE 26 HD2 PHE 26 5.013 4.611 -1.250
345 HE1 PHE 26 HE1 PHE 26 0.997 3.182 1.187
346 HE2 PHE 26 HE2 PHE 26 3.575 2.868 -2.189
347 HZ PHE 26 HZ PHE 26 1.559 2.157 -0.978
348 HA PRO 27 HA PRO 27 5.901 10.994 2.276
349 HB2 PRO 27 HB2 PRO 27 4.771 10.852 5.006
350 HB3 PRO 27 HB1 PRO 27 4.776 12.198 3.863
351 HG2 PRO 27 HG2 PRO 27 2.537 10.847 4.377
352 HG3 PRO 27 HG1 PRO 27 2.901 11.427 2.742
353 HD2 PRO 27 HD2 PRO 27 3.162 8.670 3.876
354 HD3 PRO 27 HD1 PRO 27 2.566 9.192 2.286
355 H ASP 28 HN ASP 28 5.623 8.292 4.519
356 HA ASP 28 HA ASP 28 8.438 8.745 5.323
357 HB2 ASP 28 HB2 ASP 28 6.292 7.111 6.710
358 HB3 ASP 28 HB1 ASP 28 7.963 7.234 7.235
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 -5.685 -7.663 4.787
2 HA2 GLY 1 HA2 GLY 1 -6.867 -5.886 3.853
3 HA3 GLY 1 HA1 GLY 1 -7.406 -5.423 5.468
4 H PHE 2 HN PHE 2 -6.746 -3.275 4.412
5 HA PHE 2 HA PHE 2 -4.157 -2.580 5.450
6 HB2 PHE 2 HB2 PHE 2 -3.532 -3.388 3.229
7 HB3 PHE 2 HB1 PHE 2 -4.731 -2.343 2.487
8 HD1 PHE 2 HD1 PHE 2 -4.052 -0.312 1.656
9 HD2 PHE 2 HD2 PHE 2 -1.756 -2.174 4.704
10 HE1 PHE 2 HE1 PHE 2 -2.379 1.473 1.477
11 HE2 PHE 2 HE2 PHE 2 -0.081 -0.400 4.532
12 HZ PHE 2 HZ PHE 2 -0.386 1.432 2.916
13 H CYS 3 HN CYS 3 -3.972 -0.371 5.851
14 HA CYS 3 HA CYS 3 -6.131 1.360 5.003
15 HB2 CYS 3 HB2 CYS 3 -5.166 1.047 7.857
16 HB3 CYS 3 HB1 CYS 3 -6.255 2.301 7.286
17 H TRP 4 HN TRP 4 -5.393 3.359 4.565
18 HA TRP 4 HA TRP 4 -2.884 4.263 5.629
19 HB2 TRP 4 HB2 TRP 4 -2.362 2.868 3.563
20 HB3 TRP 4 HB1 TRP 4 -3.231 4.069 2.627
21 HD1 TRP 4 HD1 TRP 4 -1.825 6.111 1.841
22 HE1 TRP 4 HE1 TRP 4 0.567 6.956 2.298
23 HE3 TRP 4 3HE TRP 4 -0.569 2.916 5.607
24 HZ2 TRP 4 HZ2 TRP 4 2.698 6.339 4.057
25 HZ3 TRP 4 HZ3 TRP 4 1.659 3.105 6.627
26 HH2 TRP 4 2HH TRP 4 3.254 4.780 5.865
27 H HIS 5 HN HIS 5 -3.013 6.395 5.905
28 HA HIS 5 HA HIS 5 -3.980 8.385 6.195
29 HB2 HIS 5 HB2 HIS 5 -4.366 8.050 3.224
30 HB3 HIS 5 HB1 HIS 5 -4.782 9.543 4.063
31 HD1 HIS 5 HD1 HIS 5 -2.197 8.437 2.062
32 HD2 HIS 5 HD2 HIS 5 -2.269 10.146 5.841
33 HE1 HIS 5 HE1 HIS 5 0.098 9.434 2.430
34 H HIS 6 HN HIS 6 -5.527 6.280 6.905
35 HA HIS 6 HA HIS 6 -7.476 5.899 7.902
36 HB2 HIS 6 HB2 HIS 6 -8.264 8.671 6.985
37 HB3 HIS 6 HB1 HIS 6 -9.248 7.665 8.041
38 HD1 HIS 6 HD1 HIS 6 -8.498 7.496 10.535
39 HD2 HIS 6 HD2 HIS 6 -5.964 9.748 8.136
40 HE1 HIS 6 HE1 HIS 6 -6.925 8.698 12.097
41 H SER 7 HN SER 7 -7.070 5.647 4.819
42 HA SER 7 HA SER 7 -9.847 4.893 4.315
43 HB2 SER 7 HB2 SER 7 -7.541 5.319 2.414
44 HB3 SER 7 HB1 SER 7 -9.196 4.912 1.937
45 HG SER 7 HG SER 7 -9.411 6.967 3.506
46 H CYS 8 HN CYS 8 -10.284 2.710 3.876
47 HA CYS 8 HA CYS 8 -7.985 0.915 4.185
48 HB2 CYS 8 HB2 CYS 8 -10.682 0.630 5.495
49 HB3 CYS 8 HB1 CYS 8 -9.379 -0.543 5.570
50 H VAL 9 HN VAL 9 -8.210 -1.149 3.400
51 HA VAL 9 HA VAL 9 -10.446 -1.703 1.620
52 HB VAL 9 HB VAL 9 -8.864 -2.995 0.134
53 HG11 VAL 9 HG11 VAL 9 -9.612 -0.798 -0.562
54 HG12 VAL 9 HG12 VAL 9 -7.939 -1.053 -1.055
55 HG13 VAL 9 3HG1 VAL 9 -8.301 -0.043 0.344
56 HG21 VAL 9 HG21 VAL 9 -6.719 -1.554 1.698
57 HG22 VAL 9 HG22 VAL 9 -6.453 -2.501 0.232
58 HG23 VAL 9 HG23 VAL 9 -7.018 -3.293 1.705
59 HA PRO 10 HA PRO 10 -10.916 -5.276 4.140
60 HB2 PRO 10 HB2 PRO 10 -11.995 -7.012 2.345
61 HB3 PRO 10 HB1 PRO 10 -12.900 -5.692 3.084
62 HG2 PRO 10 HG2 PRO 10 -11.568 -5.818 0.410
63 HG3 PRO 10 HG1 PRO 10 -13.174 -5.183 0.821
64 HD2 PRO 10 HD2 PRO 10 -11.086 -3.563 0.420
65 HD3 PRO 10 HD1 PRO 10 -12.300 -3.209 1.668
66 H SER 11 HN SER 11 -10.359 -7.516 4.370
67 HA SER 11 HA SER 11 -7.751 -8.208 3.600
68 HB2 SER 11 HB2 SER 11 -9.982 -9.972 4.630
69 HB3 SER 11 HB1 SER 11 -8.245 -10.247 4.783
70 HG SER 11 HG SER 11 -8.871 -9.397 6.678
71 H GLY 12 HN GLY 12 -7.099 -9.309 1.814
72 HA2 GLY 12 HA2 GLY 12 -7.520 -11.072 0.197
73 HA3 GLY 12 HA1 GLY 12 -9.194 -10.537 0.158
74 H THR 13 HN THR 13 -8.084 -7.699 0.269
75 HA THR 13 HA THR 13 -8.103 -7.185 -2.515
76 HB THR 13 HB THR 13 -7.122 -5.383 -0.268
77 HG1 THR 13 HG1 THR 13 -9.119 -5.712 0.325
78 HG21 THR 13 HG21 THR 13 -7.800 -3.546 -1.774
79 HG22 THR 13 HG22 THR 13 -8.248 -4.727 -3.005
80 HG23 THR 13 HG23 THR 13 -6.564 -4.557 -2.522
81 H CYS 14 HN CYS 14 -6.308 -6.627 -3.868
82 HA CYS 14 HA CYS 14 -3.686 -6.977 -2.698
83 HB2 CYS 14 HB2 CYS 14 -4.534 -9.125 -3.550
84 HB3 CYS 14 HB1 CYS 14 -4.643 -8.435 -5.173
85 H ALA 15 HN ALA 15 -2.111 -5.866 -3.795
86 HA ALA 15 HA ALA 15 -3.038 -4.100 -5.942
87 HB1 ALA 15 HB1 ALA 15 -3.439 -2.888 -3.854
88 HB2 ALA 15 HB2 ALA 15 -2.171 -2.115 -4.809
89 HB3 ALA 15 HB3 ALA 15 -1.748 -3.099 -3.407
90 H ASP 16 HN ASP 16 -1.291 -2.948 -6.987
91 HA ASP 16 HA ASP 16 1.130 -4.563 -6.968
92 HB2 ASP 16 HB2 ASP 16 1.599 -3.678 -9.200
93 HB3 ASP 16 HB1 ASP 16 -0.009 -4.378 -9.147
94 H PHE 17 HN PHE 17 2.982 -3.786 -6.360
95 HA PHE 17 HA PHE 17 3.235 -0.919 -5.783
96 HB2 PHE 17 HB2 PHE 17 4.281 -3.321 -4.286
97 HB3 PHE 17 HB1 PHE 17 4.768 -1.671 -3.960
98 HD1 PHE 17 HD1 PHE 17 3.351 -0.198 -2.756
99 HD2 PHE 17 HD2 PHE 17 2.086 -4.149 -3.679
100 HE1 PHE 17 HE1 PHE 17 1.593 -0.020 -1.073
101 HE2 PHE 17 HE2 PHE 17 0.306 -3.975 -1.997
102 HZ PHE 17 HZ PHE 17 0.067 -1.901 -0.685
103 HA PRO 18 HA PRO 18 7.141 -1.410 -8.013
104 HB2 PRO 18 HB2 PRO 18 8.585 0.328 -6.186
105 HB3 PRO 18 HB1 PRO 18 8.042 0.667 -7.829
106 HG2 PRO 18 HG2 PRO 18 6.997 1.880 -5.619
107 HG3 PRO 18 HG1 PRO 18 6.109 1.647 -7.132
108 HD2 PRO 18 HD2 PRO 18 5.974 0.090 -4.591
109 HD3 PRO 18 HD1 PRO 18 4.668 0.566 -5.698
110 H TRP 19 HN TRP 19 9.482 -1.948 -7.618
111 HA TRP 19 HA TRP 19 9.869 -4.170 -5.989
112 HB2 TRP 19 HB2 TRP 19 11.218 -3.461 -8.023
113 HB3 TRP 19 HB1 TRP 19 11.994 -2.251 -7.015
114 HD1 TRP 19 HD1 TRP 19 11.964 -5.962 -7.773
115 HE1 TRP 19 HE1 TRP 19 13.986 -7.088 -6.652
116 HE3 TRP 19 3HE TRP 19 13.623 -2.037 -4.954
117 HZ2 TRP 19 HZ2 TRP 19 16.016 -6.408 -4.824
118 HZ3 TRP 19 HZ3 TRP 19 15.606 -2.358 -3.546
119 HH2 TRP 19 2HH TRP 19 16.780 -4.500 -3.482
120 HA PRO 20 HA PRO 20 11.034 -5.223 -4.715
121 HB2 PRO 20 HB2 PRO 20 11.678 -6.170 -2.307
122 HB3 PRO 20 HB1 PRO 20 12.843 -5.320 -3.325
123 HG2 PRO 20 HG2 PRO 20 11.533 -4.422 -0.846
124 HG3 PRO 20 HG1 PRO 20 13.022 -3.848 -1.611
125 HD2 PRO 20 HD2 PRO 20 10.368 -2.702 -1.749
126 HD3 PRO 20 HD1 PRO 20 11.883 -2.072 -2.411
127 H LEU 21 HN LEU 21 8.490 -3.746 -3.613
128 HA LEU 21 HA LEU 21 7.302 -5.804 -1.983
129 HB2 LEU 21 HB2 LEU 21 6.194 -3.251 -3.137
130 HB3 LEU 21 HB1 LEU 21 5.160 -4.425 -2.360
131 HG LEU 21 HG LEU 21 6.516 -4.092 -0.261
132 HD11 LEU 21 HD11 LEU 21 7.766 -2.047 -0.056
133 HD12 LEU 21 HD12 LEU 21 7.627 -1.802 -1.814
134 HD13 LEU 21 HD13 LEU 21 8.513 -3.198 -1.170
135 HD21 LEU 21 HD21 LEU 21 5.119 -1.681 -1.374
136 HD22 LEU 21 HD22 LEU 21 5.462 -1.992 0.330
137 HD23 LEU 21 HD23 LEU 21 4.367 -3.052 -0.560
138 H GLY 22 HN GLY 22 6.615 -4.454 -5.196
139 HA2 GLY 22 HA2 GLY 22 5.885 -5.527 -7.102
140 HA3 GLY 22 HA1 GLY 22 6.103 -7.064 -6.270
141 H HIS 23 HN HIS 23 4.139 -7.887 -6.984
142 HA HIS 23 HA HIS 23 1.742 -6.438 -6.301
143 HB2 HIS 23 HB2 HIS 23 0.480 -8.337 -7.308
144 HB3 HIS 23 HB1 HIS 23 1.691 -7.707 -8.405
145 HD1 HIS 23 HD1 HIS 23 0.358 -10.817 -7.241
146 HD2 HIS 23 HD2 HIS 23 4.138 -9.467 -8.283
147 HE1 HIS 23 HE1 HIS 23 1.712 -12.874 -7.749
148 H GLN 24 HN GLN 24 1.219 -6.307 -4.277
149 HA GLN 24 HA GLN 24 1.571 -8.692 -2.622
150 HB2 GLN 24 HB2 GLN 24 1.838 -5.812 -1.895
151 HB3 GLN 24 HB1 GLN 24 1.582 -7.061 -0.687
152 HG2 GLN 24 HG2 GLN 24 3.617 -8.187 -1.427
153 HG3 GLN 24 HG1 GLN 24 3.867 -6.913 -2.626
154 HE21 GLN 24 1HE2 GLN 24 5.403 -7.773 -0.271
155 HE22 GLN 24 2HE2 GLN 24 5.611 -6.330 0.666
156 H CYS 25 HN CYS 25 0.049 -9.399 -1.419
157 HA CYS 25 HA CYS 25 -2.566 -8.165 -1.812
158 HB2 CYS 25 HB2 CYS 25 -1.917 -11.040 -1.123
159 HB3 CYS 25 HB1 CYS 25 -3.518 -10.387 -1.447
160 H PHE 26 HN PHE 26 -3.952 -7.929 -0.007
161 HA PHE 26 HA PHE 26 -2.419 -7.639 2.477
162 HB2 PHE 26 HB2 PHE 26 -5.086 -6.407 1.791
163 HB3 PHE 26 HB1 PHE 26 -4.010 -5.961 3.109
164 HD1 PHE 26 HD1 PHE 26 -1.582 -5.227 2.319
165 HD2 PHE 26 HD2 PHE 26 -5.077 -5.138 -0.098
166 HE1 PHE 26 HE1 PHE 26 -0.532 -3.555 0.858
167 HE2 PHE 26 HE2 PHE 26 -4.037 -3.473 -1.559
168 HZ PHE 26 HZ PHE 26 -1.771 -2.681 -1.093
169 HA PRO 27 HA PRO 27 -4.918 -11.302 3.584
170 HB2 PRO 27 HB2 PRO 27 -3.082 -11.385 5.885
171 HB3 PRO 27 HB1 PRO 27 -3.384 -12.616 4.655
172 HG2 PRO 27 HG2 PRO 27 -1.079 -11.253 4.704
173 HG3 PRO 27 HG1 PRO 27 -1.852 -11.702 3.176
174 HD2 PRO 27 HD2 PRO 27 -1.871 -9.069 4.603
175 HD3 PRO 27 HD1 PRO 27 -1.621 -9.428 2.877
176 H ASP 28 HN ASP 28 -3.887 -8.755 5.774
177 HA ASP 28 HA ASP 28 -6.268 -9.239 7.444
178 HB2 ASP 28 HB2 ASP 28 -3.773 -7.615 8.017
179 HB3 ASP 28 HB1 ASP 28 -5.163 -7.699 9.086
180 H1 GLY 1 HN GLY 1 7.304 7.522 3.283
181 HA2 GLY 1 HA2 GLY 1 8.342 5.793 2.073
182 HA3 GLY 1 HA1 GLY 1 9.276 5.380 3.514
183 H PHE 2 HN PHE 2 8.363 3.194 2.749
184 HA PHE 2 HA PHE 2 6.073 2.605 4.424
185 HB2 PHE 2 HB2 PHE 2 5.031 3.366 2.336
186 HB3 PHE 2 HB1 PHE 2 5.971 2.197 1.434
187 HD1 PHE 2 HD1 PHE 2 5.015 0.184 0.911
188 HD2 PHE 2 HD2 PHE 2 3.506 2.408 4.196
189 HE1 PHE 2 HE1 PHE 2 3.179 -1.424 1.148
190 HE2 PHE 2 HE2 PHE 2 1.674 0.805 4.447
191 HZ PHE 2 HZ PHE 2 1.505 -1.120 2.917
192 H CYS 3 HN CYS 3 6.115 0.484 5.095
193 HA CYS 3 HA CYS 3 7.956 -1.321 3.758
194 HB2 CYS 3 HB2 CYS 3 7.897 -0.766 6.734
195 HB3 CYS 3 HB1 CYS 3 8.725 -2.121 5.991
196 H TRP 4 HN TRP 4 6.824 -2.967 3.176
197 HA TRP 4 HA TRP 4 4.770 -3.983 4.986
198 HB2 TRP 4 HB2 TRP 4 3.805 -2.650 3.063
199 HB3 TRP 4 HB1 TRP 4 4.536 -3.810 1.989
200 HD1 TRP 4 HD1 TRP 4 3.307 -6.042 1.576
201 HE1 TRP 4 HE1 TRP 4 1.049 -7.029 2.303
202 HE3 TRP 4 3HE TRP 4 2.107 -2.665 5.200
203 HZ2 TRP 4 HZ2 TRP 4 -0.976 -6.451 4.187
204 HZ3 TRP 4 HZ3 TRP 4 -0.012 -2.952 6.418
205 HH2 TRP 4 2HH TRP 4 -1.517 -4.806 5.920
206 H HIS 5 HN HIS 5 5.353 -5.906 5.532
207 HA HIS 5 HA HIS 5 6.441 -7.824 5.685
208 HB2 HIS 5 HB2 HIS 5 5.245 -8.119 2.944
209 HB3 HIS 5 HB1 HIS 5 6.102 -9.437 3.741
210 HD1 HIS 5 HD1 HIS 5 2.763 -8.147 3.368
211 HD2 HIS 5 HD2 HIS 5 4.924 -9.949 6.418
212 HE1 HIS 5 HE1 HIS 5 1.070 -9.009 5.002
213 H HIS 6 HN HIS 6 8.272 -6.353 5.732
214 HA HIS 6 HA HIS 6 10.492 -6.214 5.670
215 HB2 HIS 6 HB2 HIS 6 10.287 -8.870 4.240
216 HB3 HIS 6 HB1 HIS 6 11.815 -8.144 4.720
217 HD1 HIS 6 HD1 HIS 6 12.646 -9.032 6.926
218 HD2 HIS 6 HD2 HIS 6 8.497 -9.094 6.676
219 HE1 HIS 6 HE1 HIS 6 11.831 -10.036 9.069
220 H SER 7 HN SER 7 8.727 -5.389 3.287
221 HA SER 7 HA SER 7 10.957 -4.857 1.456
222 HB2 SER 7 HB2 SER 7 8.010 -5.060 0.811
223 HB3 SER 7 HB1 SER 7 9.349 -4.951 -0.340
224 HG SER 7 HG SER 7 8.832 -7.034 1.490
225 H CYS 8 HN CYS 8 11.410 -2.681 1.271
226 HA CYS 8 HA CYS 8 9.372 -0.821 2.260
227 HB2 CYS 8 HB2 CYS 8 12.363 -0.657 2.646
228 HB3 CYS 8 HB1 CYS 8 11.207 0.580 3.125
229 H VAL 9 HN VAL 9 9.202 1.132 1.288
230 HA VAL 9 HA VAL 9 10.829 1.629 -1.088
231 HB VAL 9 HB VAL 9 8.817 2.833 -2.098
232 HG11 VAL 9 HG11 VAL 9 7.724 0.766 -2.904
233 HG12 VAL 9 HG12 VAL 9 8.627 -0.129 -1.671
234 HG13 VAL 9 3HG1 VAL 9 9.486 0.700 -2.962
235 HG21 VAL 9 HG21 VAL 9 7.479 3.055 -0.068
236 HG22 VAL 9 HG22 VAL 9 7.317 1.299 0.021
237 HG23 VAL 9 HG23 VAL 9 6.583 2.186 -1.316
238 HA PRO 10 HA PRO 10 11.994 5.340 0.812
239 HB2 PRO 10 HB2 PRO 10 12.293 7.006 -1.299
240 HB3 PRO 10 HB1 PRO 10 13.421 5.691 -0.935
241 HG2 PRO 10 HG2 PRO 10 11.145 5.761 -2.885
242 HG3 PRO 10 HG1 PRO 10 12.791 5.150 -3.127
243 HD2 PRO 10 HD2 PRO 10 10.758 3.497 -2.634
244 HD3 PRO 10 HD1 PRO 10 12.368 3.196 -1.950
245 H SER 11 HN SER 11 11.545 7.566 1.195
246 HA SER 11 HA SER 11 8.860 8.177 1.632
247 HB2 SER 11 HB2 SER 11 11.232 10.046 1.597
248 HB3 SER 11 HB1 SER 11 9.742 10.215 2.527
249 HG SER 11 HG SER 11 11.012 9.330 3.977
250 H GLY 12 HN GLY 12 7.410 9.097 0.281
251 HA2 GLY 12 HA2 GLY 12 6.841 10.914 -1.168
252 HA3 GLY 12 HA1 GLY 12 8.425 10.761 -1.908
253 H THR 13 HN THR 13 7.716 7.712 -1.593
254 HA THR 13 HA THR 13 7.008 7.330 -4.300
255 HB THR 13 HB THR 13 6.980 5.371 -1.985
256 HG1 THR 13 HG1 THR 13 9.006 5.866 -2.076
257 HG21 THR 13 HG21 THR 13 5.762 4.526 -3.961
258 HG22 THR 13 HG22 THR 13 7.267 3.641 -3.714
259 HG23 THR 13 HG23 THR 13 7.165 4.874 -4.970
260 H CYS 14 HN CYS 14 5.024 7.153 -5.201
261 HA CYS 14 HA CYS 14 2.721 6.824 -3.424
262 HB2 CYS 14 HB2 CYS 14 2.787 8.143 -6.159
263 HB3 CYS 14 HB1 CYS 14 1.398 8.027 -5.082
264 H ALA 15 HN ALA 15 1.250 5.260 -3.966
265 HA ALA 15 HA ALA 15 1.994 3.549 -6.230
266 HB1 ALA 15 HB1 ALA 15 1.447 1.574 -4.889
267 HB2 ALA 15 HB2 ALA 15 1.108 2.609 -3.500
268 HB3 ALA 15 HB3 ALA 15 2.745 2.509 -4.144
269 H ASP 16 HN ASP 16 0.223 2.172 -6.970
270 HA ASP 16 HA ASP 16 -2.234 3.736 -7.030
271 HB2 ASP 16 HB2 ASP 16 -1.160 3.147 -9.172
272 HB3 ASP 16 HB1 ASP 16 -1.328 1.441 -8.779
273 H PHE 17 HN PHE 17 -3.735 3.184 -5.647
274 HA PHE 17 HA PHE 17 -4.247 0.340 -5.061
275 HB2 PHE 17 HB2 PHE 17 -4.755 2.819 -3.410
276 HB3 PHE 17 HB1 PHE 17 -5.300 1.214 -2.982
277 HD1 PHE 17 HD1 PHE 17 -3.832 -0.347 -2.009
278 HD2 PHE 17 HD2 PHE 17 -2.413 3.434 -3.297
279 HE1 PHE 17 HE1 PHE 17 -1.796 -0.677 -0.704
280 HE2 PHE 17 HE2 PHE 17 -0.355 3.113 -1.995
281 HZ PHE 17 HZ PHE 17 -0.049 1.057 -0.689
282 HA PRO 18 HA PRO 18 -8.497 1.453 -6.358
283 HB2 PRO 18 HB2 PRO 18 -9.700 -0.309 -4.391
284 HB3 PRO 18 HB1 PRO 18 -9.549 -0.575 -6.126
285 HG2 PRO 18 HG2 PRO 18 -8.211 -2.048 -4.252
286 HG3 PRO 18 HG1 PRO 18 -7.615 -1.783 -5.898
287 HD2 PRO 18 HD2 PRO 18 -6.817 -0.417 -3.355
288 HD3 PRO 18 HD1 PRO 18 -5.816 -0.962 -4.714
289 H TRP 19 HN TRP 19 -10.606 2.205 -5.329
290 HA TRP 19 HA TRP 19 -10.206 4.226 -3.377
291 HB2 TRP 19 HB2 TRP 19 -11.949 4.614 -4.928
292 HB3 TRP 19 HB1 TRP 19 -12.619 3.009 -4.703
293 HD1 TRP 19 HD1 TRP 19 -13.853 2.633 -2.559
294 HE1 TRP 19 HE1 TRP 19 -15.471 4.109 -1.099
295 HE3 TRP 19 3HE TRP 19 -12.178 7.081 -4.049
296 HZ2 TRP 19 HZ2 TRP 19 -15.851 6.880 -0.685
297 HZ3 TRP 19 HZ3 TRP 19 -13.134 9.109 -3.070
298 HH2 TRP 19 2HH TRP 19 -14.934 9.024 -1.441
299 HA PRO 20 HA PRO 20 -11.396 5.299 -1.985
300 HB2 PRO 20 HB2 PRO 20 -10.739 5.767 0.835
301 HB3 PRO 20 HB1 PRO 20 -12.171 6.246 -0.088
302 HG2 PRO 20 HG2 PRO 20 -12.349 4.347 1.733
303 HG3 PRO 20 HG1 PRO 20 -13.169 4.265 0.146
304 HD2 PRO 20 HD2 PRO 20 -10.525 2.974 0.897
305 HD3 PRO 20 HD1 PRO 20 -11.980 2.178 0.240
306 H LEU 21 HN LEU 21 -8.785 3.496 -1.390
307 HA LEU 21 HA LEU 21 -6.876 5.363 -0.439
308 HB2 LEU 21 HB2 LEU 21 -6.580 2.730 -1.870
309 HB3 LEU 21 HB1 LEU 21 -5.222 3.652 -1.261
310 HG LEU 21 HG LEU 21 -7.438 2.599 0.508
311 HD11 LEU 21 HD11 LEU 21 -5.868 0.878 1.163
312 HD12 LEU 21 HD12 LEU 21 -4.705 1.457 -0.031
313 HD13 LEU 21 HD13 LEU 21 -6.235 0.747 -0.557
314 HD21 LEU 21 HD21 LEU 21 -4.667 3.557 1.135
315 HD22 LEU 21 HD22 LEU 21 -5.915 3.091 2.294
316 HD23 LEU 21 HD23 LEU 21 -6.111 4.540 1.305
317 H GLY 22 HN GLY 22 -7.236 3.883 -3.644
318 HA2 GLY 22 HA2 GLY 22 -6.816 4.738 -5.742
319 HA3 GLY 22 HA1 GLY 22 -6.989 6.343 -5.029
320 H HIS 23 HN HIS 23 -5.250 7.433 -5.669
321 HA HIS 23 HA HIS 23 -2.683 6.157 -5.628
322 HB2 HIS 23 HB2 HIS 23 -1.829 8.491 -6.312
323 HB3 HIS 23 HB1 HIS 23 -2.850 7.642 -7.455
324 HD1 HIS 23 HD1 HIS 23 -4.851 8.921 -8.306
325 HD2 HIS 23 HD2 HIS 23 -3.214 10.631 -4.908
326 HE1 HIS 23 HE1 HIS 23 -6.033 11.122 -8.004
327 H GLN 24 HN GLN 24 -1.791 5.772 -3.801
328 HA GLN 24 HA GLN 24 -2.029 7.764 -1.659
329 HB2 GLN 24 HB2 GLN 24 -1.672 4.791 -1.535
330 HB3 GLN 24 HB1 GLN 24 -1.375 5.833 -0.151
331 HG2 GLN 24 HG2 GLN 24 -3.968 5.655 -1.655
332 HG3 GLN 24 HG1 GLN 24 -3.605 4.819 -0.143
333 HE21 GLN 24 1HE2 GLN 24 -5.599 6.885 -0.825
334 HE22 GLN 24 2HE2 GLN 24 -5.330 8.146 0.329
335 H CYS 25 HN CYS 25 -0.299 8.548 -0.696
336 HA CYS 25 HA CYS 25 2.252 7.768 -1.867
337 HB2 CYS 25 HB2 CYS 25 1.392 10.462 -0.809
338 HB3 CYS 25 HB1 CYS 25 2.977 10.056 -1.471
339 H PHE 26 HN PHE 26 3.969 7.531 -0.586
340 HA PHE 26 HA PHE 26 3.336 7.189 2.250
341 HB2 PHE 26 HB2 PHE 26 5.666 6.005 0.741
342 HB3 PHE 26 HB1 PHE 26 5.027 5.508 2.302
343 HD1 PHE 26 HD1 PHE 26 2.383 4.851 2.134
344 HD2 PHE 26 HD2 PHE 26 5.222 4.614 -1.020
345 HE1 PHE 26 HE1 PHE 26 0.990 3.168 1.008
346 HE2 PHE 26 HE2 PHE 26 3.837 2.937 -2.150
347 HZ PHE 26 HZ PHE 26 1.718 2.211 -1.142
348 HA PRO 27 HA PRO 27 5.952 10.954 2.135
349 HB2 PRO 27 HB2 PRO 27 5.291 11.823 4.644
350 HB3 PRO 27 HB1 PRO 27 4.326 12.152 3.202
351 HG2 PRO 27 HG2 PRO 27 3.939 10.081 5.314
352 HG3 PRO 27 HG1 PRO 27 2.731 11.075 4.483
353 HD2 PRO 27 HD2 PRO 27 3.180 8.493 3.852
354 HD3 PRO 27 HD1 PRO 27 2.674 9.690 2.646
355 H ASP 28 HN ASP 28 5.880 8.554 4.695
356 HA ASP 28 HA ASP 28 8.615 9.335 5.522
357 HB2 ASP 28 HB2 ASP 28 6.710 7.394 6.870
358 HB3 ASP 28 HB1 ASP 28 8.267 7.899 7.480
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 -6.365 -7.741 4.491
2 HA2 GLY 1 HA2 GLY 1 -7.530 -6.028 3.321
3 HA3 GLY 1 HA1 GLY 1 -8.228 -5.508 4.859
4 H PHE 2 HN PHE 2 -7.332 -3.405 4.042
5 HA PHE 2 HA PHE 2 -4.753 -3.050 5.288
6 HB2 PHE 2 HB2 PHE 2 -4.159 -3.582 2.951
7 HB3 PHE 2 HB1 PHE 2 -5.193 -2.282 2.390
8 HD1 PHE 2 HD1 PHE 2 -4.263 -0.207 1.993
9 HD2 PHE 2 HD2 PHE 2 -2.244 -2.907 4.573
10 HE1 PHE 2 HE1 PHE 2 -2.359 1.338 2.105
11 HE2 PHE 2 HE2 PHE 2 -0.333 -1.369 4.694
12 HZ PHE 2 HZ PHE 2 -0.388 0.759 3.457
13 H CYS 3 HN CYS 3 -4.570 -1.084 6.179
14 HA CYS 3 HA CYS 3 -6.582 0.915 5.493
15 HB2 CYS 3 HB2 CYS 3 -5.690 0.120 8.274
16 HB3 CYS 3 HB1 CYS 3 -6.693 1.515 7.902
17 H TRP 4 HN TRP 4 -5.737 2.820 5.102
18 HA TRP 4 HA TRP 4 -3.429 3.792 6.468
19 HB2 TRP 4 HB2 TRP 4 -2.553 2.359 4.517
20 HB3 TRP 4 HB1 TRP 4 -3.279 3.545 3.448
21 HD1 TRP 4 HD1 TRP 4 -2.063 5.974 3.343
22 HE1 TRP 4 HE1 TRP 4 0.322 6.713 4.011
23 HE3 TRP 4 3HE TRP 4 -0.687 1.943 6.172
24 HZ2 TRP 4 HZ2 TRP 4 2.478 5.733 5.504
25 HZ3 TRP 4 HZ3 TRP 4 1.570 1.927 7.175
26 HH2 TRP 4 2HH TRP 4 3.106 3.780 6.846
27 H HIS 5 HN HIS 5 -3.506 6.035 6.422
28 HA HIS 5 HA HIS 5 -4.433 8.084 6.312
29 HB2 HIS 5 HB2 HIS 5 -3.860 7.822 3.842
30 HB3 HIS 5 HB1 HIS 5 -5.487 7.225 3.581
31 HD1 HIS 5 HD1 HIS 5 -6.825 9.043 2.468
32 HD2 HIS 5 HD2 HIS 5 -4.194 10.527 5.314
33 HE1 HIS 5 HE1 HIS 5 -7.190 11.531 2.517
34 H HIS 6 HN HIS 6 -5.851 5.752 7.329
35 HA HIS 6 HA HIS 6 -7.722 5.225 8.413
36 HB2 HIS 6 HB2 HIS 6 -8.581 8.064 7.777
37 HB3 HIS 6 HB1 HIS 6 -9.502 6.975 8.805
38 HD1 HIS 6 HD1 HIS 6 -8.887 7.038 11.278
39 HD2 HIS 6 HD2 HIS 6 -5.927 8.645 8.838
40 HE1 HIS 6 HE1 HIS 6 -7.146 7.968 12.819
41 H SER 7 HN SER 7 -7.448 5.136 5.355
42 HA SER 7 HA SER 7 -10.245 4.559 4.818
43 HB2 SER 7 HB2 SER 7 -7.863 5.027 3.030
44 HB3 SER 7 HB1 SER 7 -9.482 4.683 2.410
45 HG SER 7 HG SER 7 -9.164 6.757 4.249
46 H CYS 8 HN CYS 8 -10.759 2.409 4.356
47 HA CYS 8 HA CYS 8 -8.501 0.538 4.496
48 HB2 CYS 8 HB2 CYS 8 -11.214 0.263 5.778
49 HB3 CYS 8 HB1 CYS 8 -9.985 -0.994 5.746
50 H VAL 9 HN VAL 9 -8.549 -1.229 3.230
51 HA VAL 9 HA VAL 9 -10.814 -1.509 1.388
52 HB VAL 9 HB VAL 9 -9.245 -2.757 -0.147
53 HG11 VAL 9 HG11 VAL 9 -8.064 -0.784 -0.997
54 HG12 VAL 9 HG12 VAL 9 -8.448 0.064 0.502
55 HG13 VAL 9 3HG1 VAL 9 -9.743 -0.434 -0.583
56 HG21 VAL 9 HG21 VAL 9 -7.562 -3.426 1.493
57 HG22 VAL 9 HG22 VAL 9 -7.119 -1.736 1.732
58 HG23 VAL 9 HG23 VAL 9 -6.819 -2.513 0.176
59 HA PRO 10 HA PRO 10 -11.968 -5.249 3.258
60 HB2 PRO 10 HB2 PRO 10 -12.541 -6.832 1.068
61 HB3 PRO 10 HB1 PRO 10 -13.625 -5.618 1.752
62 HG2 PRO 10 HG2 PRO 10 -11.765 -5.399 -0.580
63 HG3 PRO 10 HG1 PRO 10 -13.421 -4.788 -0.407
64 HD2 PRO 10 HD2 PRO 10 -11.330 -3.162 -0.170
65 HD3 PRO 10 HD1 PRO 10 -12.747 -2.978 0.881
66 H SER 11 HN SER 11 -11.393 -7.370 3.756
67 HA SER 11 HA SER 11 -8.674 -8.138 3.619
68 HB2 SER 11 HB2 SER 11 -11.098 -9.854 4.167
69 HB3 SER 11 HB1 SER 11 -9.456 -10.097 4.758
70 HG SER 11 HG SER 11 -9.837 -7.865 5.754
71 H GLY 12 HN GLY 12 -7.570 -9.032 1.980
72 HA2 GLY 12 HA2 GLY 12 -7.418 -10.948 0.510
73 HA3 GLY 12 HA1 GLY 12 -9.098 -10.670 0.073
74 H THR 13 HN THR 13 -8.223 -7.679 0.204
75 HA THR 13 HA THR 13 -7.897 -7.374 -2.595
76 HB THR 13 HB THR 13 -7.471 -5.312 -0.406
77 HG1 THR 13 HG1 THR 13 -9.499 -5.795 -0.119
78 HG21 THR 13 HG21 THR 13 -8.063 -3.681 -2.154
79 HG22 THR 13 HG22 THR 13 -8.215 -4.985 -3.330
80 HG23 THR 13 HG23 THR 13 -6.640 -4.608 -2.633
81 H CYS 14 HN CYS 14 -6.076 -6.963 -3.787
82 HA CYS 14 HA CYS 14 -3.550 -6.960 -2.354
83 HB2 CYS 14 HB2 CYS 14 -4.119 -9.136 -3.419
84 HB3 CYS 14 HB1 CYS 14 -4.165 -8.328 -4.987
85 H ALA 15 HN ALA 15 -1.952 -5.696 -3.354
86 HA ALA 15 HA ALA 15 -3.016 -3.843 -5.372
87 HB1 ALA 15 HB1 ALA 15 -2.002 -1.953 -4.224
88 HB2 ALA 15 HB2 ALA 15 -1.424 -3.022 -2.947
89 HB3 ALA 15 HB3 ALA 15 -3.156 -2.774 -3.173
90 H ASP 16 HN ASP 16 -1.408 -2.668 -6.548
91 HA ASP 16 HA ASP 16 1.003 -4.247 -6.959
92 HB2 ASP 16 HB2 ASP 16 -0.363 -3.920 -8.930
93 HB3 ASP 16 HB1 ASP 16 -0.363 -2.179 -8.681
94 H PHE 17 HN PHE 17 2.818 -3.539 -6.221
95 HA PHE 17 HA PHE 17 3.230 -0.685 -5.672
96 HB2 PHE 17 HB2 PHE 17 4.200 -3.161 -4.253
97 HB3 PHE 17 HB1 PHE 17 4.886 -1.575 -3.982
98 HD1 PHE 17 HD1 PHE 17 2.069 -3.785 -3.403
99 HD2 PHE 17 HD2 PHE 17 3.667 0.098 -2.797
100 HE1 PHE 17 HE1 PHE 17 0.440 -3.400 -1.622
101 HE2 PHE 17 HE2 PHE 17 2.055 0.505 -1.023
102 HZ PHE 17 HZ PHE 17 0.432 -1.234 -0.415
103 HA PRO 18 HA PRO 18 6.945 -1.540 -8.071
104 HB2 PRO 18 HB2 PRO 18 8.610 0.381 -7.253
105 HB3 PRO 18 HB1 PRO 18 7.138 0.790 -8.143
106 HG2 PRO 18 HG2 PRO 18 7.704 0.992 -5.224
107 HG3 PRO 18 HG1 PRO 18 6.788 2.090 -6.268
108 HD2 PRO 18 HD2 PRO 18 5.707 0.158 -4.597
109 HD3 PRO 18 HD1 PRO 18 4.849 0.921 -5.940
110 H TRP 19 HN TRP 19 9.294 -2.038 -7.721
111 HA TRP 19 HA TRP 19 9.868 -3.864 -5.692
112 HB2 TRP 19 HB2 TRP 19 11.214 -3.942 -7.655
113 HB3 TRP 19 HB1 TRP 19 11.609 -2.236 -7.546
114 HD1 TRP 19 HD1 TRP 19 13.220 -1.582 -5.736
115 HE1 TRP 19 HE1 TRP 19 15.338 -2.720 -4.689
116 HE3 TRP 19 3HE TRP 19 12.041 -6.297 -6.865
117 HZ2 TRP 19 HZ2 TRP 19 16.267 -5.374 -4.385
118 HZ3 TRP 19 HZ3 TRP 19 13.521 -8.101 -6.128
119 HH2 TRP 19 2HH TRP 19 15.590 -7.662 -4.934
120 HA PRO 20 HA PRO 20 11.421 -4.613 -4.591
121 HB2 PRO 20 HB2 PRO 20 11.576 -5.015 -1.689
122 HB3 PRO 20 HB1 PRO 20 12.794 -5.310 -2.933
123 HG2 PRO 20 HG2 PRO 20 13.089 -3.296 -1.258
124 HG3 PRO 20 HG1 PRO 20 13.450 -3.183 -3.009
125 HD2 PRO 20 HD2 PRO 20 10.884 -2.315 -1.629
126 HD3 PRO 20 HD1 PRO 20 11.967 -1.309 -2.628
127 H LEU 21 HN LEU 21 8.703 -3.280 -3.512
128 HA LEU 21 HA LEU 21 7.502 -5.424 -2.029
129 HB2 LEU 21 HB2 LEU 21 6.407 -2.855 -3.117
130 HB3 LEU 21 HB1 LEU 21 5.405 -4.031 -2.291
131 HG LEU 21 HG LEU 21 7.791 -2.651 -1.053
132 HD11 LEU 21 HD11 LEU 21 4.833 -2.165 -0.686
133 HD12 LEU 21 HD12 LEU 21 5.955 -1.082 -1.509
134 HD13 LEU 21 HD13 LEU 21 6.134 -1.392 0.218
135 HD21 LEU 21 HD21 LEU 21 7.288 -4.860 -0.144
136 HD22 LEU 21 HD22 LEU 21 5.619 -4.361 0.113
137 HD23 LEU 21 HD23 LEU 21 6.921 -3.575 1.004
138 H GLY 22 HN GLY 22 6.709 -3.968 -5.176
139 HA2 GLY 22 HA2 GLY 22 5.883 -4.971 -7.077
140 HA3 GLY 22 HA1 GLY 22 6.339 -6.521 -6.369
141 H HIS 23 HN HIS 23 4.643 -7.816 -6.216
142 HA HIS 23 HA HIS 23 1.992 -6.651 -5.919
143 HB2 HIS 23 HB2 HIS 23 2.867 -9.501 -6.431
144 HB3 HIS 23 HB1 HIS 23 1.191 -9.012 -6.229
145 HD1 HIS 23 HD1 HIS 23 0.014 -8.114 -8.281
146 HD2 HIS 23 HD2 HIS 23 4.118 -8.455 -8.782
147 HE1 HIS 23 HE1 HIS 23 0.447 -7.708 -10.724
148 H GLN 24 HN GLN 24 1.268 -6.277 -3.952
149 HA GLN 24 HA GLN 24 1.946 -8.223 -1.873
150 HB2 GLN 24 HB2 GLN 24 1.780 -5.232 -1.561
151 HB3 GLN 24 HB1 GLN 24 1.885 -6.358 -0.217
152 HG2 GLN 24 HG2 GLN 24 3.950 -6.014 -2.383
153 HG3 GLN 24 HG1 GLN 24 4.058 -5.396 -0.734
154 HE21 GLN 24 1HE2 GLN 24 5.762 -7.326 -2.217
155 HE22 GLN 24 2HE2 GLN 24 5.798 -8.728 -1.221
156 H CYS 25 HN CYS 25 0.313 -9.195 -1.115
157 HA CYS 25 HA CYS 25 -2.323 -8.061 -1.541
158 HB2 CYS 25 HB2 CYS 25 -1.558 -10.911 -0.897
159 HB3 CYS 25 HB1 CYS 25 -3.155 -10.329 -1.357
160 H PHE 26 HN PHE 26 -3.863 -7.943 0.146
161 HA PHE 26 HA PHE 26 -2.637 -7.953 2.807
162 HB2 PHE 26 HB2 PHE 26 -4.900 -6.243 1.783
163 HB3 PHE 26 HB1 PHE 26 -4.082 -6.098 3.334
164 HD1 PHE 26 HD1 PHE 26 -1.527 -5.642 3.218
165 HD2 PHE 26 HD2 PHE 26 -4.226 -4.932 0.014
166 HE1 PHE 26 HE1 PHE 26 0.068 -4.063 2.229
167 HE2 PHE 26 HE2 PHE 26 -2.636 -3.352 -0.980
168 HZ PHE 26 HZ PHE 26 -0.484 -2.918 0.132
169 HA PRO 27 HA PRO 27 -5.791 -11.228 3.025
170 HB2 PRO 27 HB2 PRO 27 -4.573 -11.926 5.575
171 HB3 PRO 27 HB1 PRO 27 -4.668 -12.878 4.095
172 HG2 PRO 27 HG2 PRO 27 -2.350 -11.788 5.052
173 HG3 PRO 27 HG1 PRO 27 -2.638 -12.146 3.347
174 HD2 PRO 27 HD2 PRO 27 -2.678 -9.529 4.766
175 HD3 PRO 27 HD1 PRO 27 -2.209 -9.922 3.100
176 H ASP 28 HN ASP 28 -5.021 -9.080 5.740
177 HA ASP 28 HA ASP 28 -7.756 -9.535 6.711
178 HB2 ASP 28 HB2 ASP 28 -7.173 -8.353 8.723
179 HB3 ASP 28 HB1 ASP 28 -5.868 -9.483 8.393
180 H1 GLY 1 HN GLY 1 7.463 7.682 2.611
181 HA2 GLY 1 HA2 GLY 1 7.961 5.877 1.208
182 HA3 GLY 1 HA1 GLY 1 9.168 5.332 2.370
183 H PHE 2 HN PHE 2 7.981 3.272 1.923
184 HA PHE 2 HA PHE 2 5.989 2.859 3.994
185 HB2 PHE 2 HB2 PHE 2 4.593 3.401 2.042
186 HB3 PHE 2 HB1 PHE 2 5.468 2.230 1.069
187 HD1 PHE 2 HD1 PHE 2 4.574 0.126 0.807
188 HD2 PHE 2 HD2 PHE 2 3.434 2.436 4.191
189 HE1 PHE 2 HE1 PHE 2 2.967 -1.616 1.447
190 HE2 PHE 2 HE2 PHE 2 1.822 0.695 4.835
191 HZ PHE 2 HZ PHE 2 1.590 -1.335 3.461
192 H CYS 3 HN CYS 3 6.039 0.687 4.698
193 HA CYS 3 HA CYS 3 7.871 -0.999 3.225
194 HB2 CYS 3 HB2 CYS 3 9.042 0.293 5.064
195 HB3 CYS 3 HB1 CYS 3 8.038 -0.596 6.202
196 H TRP 4 HN TRP 4 7.150 -3.000 3.056
197 HA TRP 4 HA TRP 4 5.222 -4.018 4.967
198 HB2 TRP 4 HB2 TRP 4 3.872 -3.000 3.166
199 HB3 TRP 4 HB1 TRP 4 4.757 -3.924 1.966
200 HD1 TRP 4 HD1 TRP 4 4.075 -6.481 1.660
201 HE1 TRP 4 HE1 TRP 4 2.061 -7.851 2.439
202 HE3 TRP 4 3HE TRP 4 2.208 -3.239 5.141
203 HZ2 TRP 4 HZ2 TRP 4 -0.058 -7.599 4.287
204 HZ3 TRP 4 HZ3 TRP 4 0.175 -3.884 6.368
205 HH2 TRP 4 2HH TRP 4 -0.929 -6.024 5.942
206 H HIS 5 HN HIS 5 5.491 -6.142 5.290
207 HA HIS 5 HA HIS 5 6.551 -8.129 5.424
208 HB2 HIS 5 HB2 HIS 5 5.399 -8.324 3.119
209 HB3 HIS 5 HB1 HIS 5 6.974 -7.968 2.418
210 HD1 HIS 5 HD1 HIS 5 8.451 -9.997 2.011
211 HD2 HIS 5 HD2 HIS 5 5.458 -10.721 4.800
212 HE1 HIS 5 HE1 HIS 5 8.594 -12.452 2.583
213 H HIS 6 HN HIS 6 7.999 -5.714 5.718
214 HA HIS 6 HA HIS 6 10.003 -5.047 6.368
215 HB2 HIS 6 HB2 HIS 6 11.117 -7.740 5.533
216 HB3 HIS 6 HB1 HIS 6 11.926 -6.557 6.550
217 HD1 HIS 6 HD1 HIS 6 11.169 -6.474 9.072
218 HD2 HIS 6 HD2 HIS 6 9.122 -9.214 6.736
219 HE1 HIS 6 HE1 HIS 6 9.861 -7.904 10.667
220 H SER 7 HN SER 7 9.175 -5.579 3.303
221 HA SER 7 HA SER 7 11.637 -4.628 2.097
222 HB2 SER 7 HB2 SER 7 8.919 -5.228 0.920
223 HB3 SER 7 HB1 SER 7 10.394 -4.934 -0.003
224 HG SER 7 HG SER 7 11.146 -6.776 1.486
225 H CYS 8 HN CYS 8 11.969 -2.468 2.150
226 HA CYS 8 HA CYS 8 9.621 -0.764 2.509
227 HB2 CYS 8 HB2 CYS 8 12.507 -0.071 3.051
228 HB3 CYS 8 HB1 CYS 8 11.085 0.832 3.541
229 H VAL 9 HN VAL 9 9.116 0.732 1.037
230 HA VAL 9 HA VAL 9 10.914 1.040 -1.216
231 HB VAL 9 HB VAL 9 9.042 2.212 -2.398
232 HG11 VAL 9 HG11 VAL 9 8.350 -0.520 -1.358
233 HG12 VAL 9 HG12 VAL 9 9.352 -0.148 -2.761
234 HG13 VAL 9 3HG1 VAL 9 7.633 0.244 -2.776
235 HG21 VAL 9 HG21 VAL 9 7.819 3.084 -0.470
236 HG22 VAL 9 HG22 VAL 9 7.397 1.443 0.019
237 HG23 VAL 9 HG23 VAL 9 6.755 2.106 -1.484
238 HA PRO 10 HA PRO 10 12.625 4.763 0.202
239 HB2 PRO 10 HB2 PRO 10 12.270 5.843 -2.542
240 HB3 PRO 10 HB1 PRO 10 13.736 5.713 -1.565
241 HG2 PRO 10 HG2 PRO 10 13.336 4.029 -3.567
242 HG3 PRO 10 HG1 PRO 10 14.000 3.452 -2.028
243 HD2 PRO 10 HD2 PRO 10 11.222 3.207 -3.099
244 HD3 PRO 10 HD1 PRO 10 12.226 2.015 -2.240
245 H SER 11 HN SER 11 12.220 6.830 0.838
246 HA SER 11 HA SER 11 9.608 7.799 1.203
247 HB2 SER 11 HB2 SER 11 12.177 9.368 1.161
248 HB3 SER 11 HB1 SER 11 10.738 9.663 2.136
249 HG SER 11 HG SER 11 11.226 7.455 3.048
250 H GLY 12 HN GLY 12 8.270 8.752 -0.252
251 HA2 GLY 12 HA2 GLY 12 7.991 10.613 -1.758
252 HA3 GLY 12 HA1 GLY 12 9.541 10.190 -2.473
253 H THR 13 HN THR 13 8.272 7.312 -1.911
254 HA THR 13 HA THR 13 7.419 6.984 -4.631
255 HB THR 13 HB THR 13 7.423 4.973 -2.359
256 HG1 THR 13 HG1 THR 13 9.481 5.489 -2.586
257 HG21 THR 13 HG21 THR 13 7.416 4.588 -5.364
258 HG22 THR 13 HG22 THR 13 6.047 4.302 -4.292
259 HG23 THR 13 HG23 THR 13 7.493 3.301 -4.161
260 H CYS 14 HN CYS 14 5.341 6.941 -5.322
261 HA CYS 14 HA CYS 14 3.232 6.829 -3.308
262 HB2 CYS 14 HB2 CYS 14 3.445 9.056 -4.363
263 HB3 CYS 14 HB1 CYS 14 3.220 8.325 -5.954
264 H ALA 15 HN ALA 15 1.434 5.583 -3.875
265 HA ALA 15 HA ALA 15 1.939 3.774 -6.138
266 HB1 ALA 15 HB1 ALA 15 1.344 1.847 -4.788
267 HB2 ALA 15 HB2 ALA 15 1.083 2.891 -3.389
268 HB3 ALA 15 HB3 ALA 15 2.701 2.714 -4.062
269 H ASP 16 HN ASP 16 0.149 2.662 -6.944
270 HA ASP 16 HA ASP 16 -2.323 4.198 -6.797
271 HB2 ASP 16 HB2 ASP 16 -1.430 3.825 -9.022
272 HB3 ASP 16 HB1 ASP 16 -1.311 2.099 -8.733
273 H PHE 17 HN PHE 17 -3.660 3.509 -5.247
274 HA PHE 17 HA PHE 17 -3.979 0.625 -4.835
275 HB2 PHE 17 HB2 PHE 17 -4.665 2.988 -3.094
276 HB3 PHE 17 HB1 PHE 17 -5.148 1.341 -2.739
277 HD1 PHE 17 HD1 PHE 17 -3.627 -0.203 -1.820
278 HD2 PHE 17 HD2 PHE 17 -2.333 3.674 -2.966
279 HE1 PHE 17 HE1 PHE 17 -1.570 -0.524 -0.544
280 HE2 PHE 17 HE2 PHE 17 -0.258 3.358 -1.694
281 HZ PHE 17 HZ PHE 17 0.121 1.254 -0.478
282 HA PRO 18 HA PRO 18 -8.227 1.049 -6.304
283 HB2 PRO 18 HB2 PRO 18 -9.091 -0.766 -4.149
284 HB3 PRO 18 HB1 PRO 18 -9.165 -1.017 -5.896
285 HG2 PRO 18 HG2 PRO 18 -7.451 -2.391 -4.364
286 HG3 PRO 18 HG1 PRO 18 -7.007 -1.854 -5.993
287 HD2 PRO 18 HD2 PRO 18 -6.302 -0.641 -3.345
288 HD3 PRO 18 HD1 PRO 18 -5.271 -0.933 -4.765
289 H TRP 19 HN TRP 19 -10.447 1.538 -5.364
290 HA TRP 19 HA TRP 19 -10.294 3.723 -3.559
291 HB2 TRP 19 HB2 TRP 19 -11.956 3.411 -5.456
292 HB3 TRP 19 HB1 TRP 19 -12.742 2.183 -4.475
293 HD1 TRP 19 HD1 TRP 19 -12.128 5.967 -4.598
294 HE1 TRP 19 HE1 TRP 19 -13.939 7.126 -3.182
295 HE3 TRP 19 3HE TRP 19 -14.377 1.845 -2.617
296 HZ2 TRP 19 HZ2 TRP 19 -16.024 6.392 -1.460
297 HZ3 TRP 19 HZ3 TRP 19 -16.271 2.161 -1.085
298 HH2 TRP 19 2HH TRP 19 -17.076 4.397 -0.522
299 HA PRO 20 HA PRO 20 -11.486 4.725 -2.024
300 HB2 PRO 20 HB2 PRO 20 -11.744 5.435 0.515
301 HB3 PRO 20 HB1 PRO 20 -13.028 4.555 -0.318
302 HG2 PRO 20 HG2 PRO 20 -11.119 3.592 1.737
303 HG3 PRO 20 HG1 PRO 20 -12.752 3.032 1.371
304 HD2 PRO 20 HD2 PRO 20 -10.263 1.915 0.485
305 HD3 PRO 20 HD1 PRO 20 -11.900 1.359 0.101
306 H LEU 21 HN LEU 21 -8.805 3.189 -1.528
307 HA LEU 21 HA LEU 21 -7.281 5.104 -0.007
308 HB2 LEU 21 HB2 LEU 21 -6.361 2.800 -1.713
309 HB3 LEU 21 HB1 LEU 21 -5.345 3.719 -0.621
310 HG LEU 21 HG LEU 21 -7.650 1.941 0.172
311 HD11 LEU 21 HD11 LEU 21 -5.967 0.562 1.176
312 HD12 LEU 21 HD12 LEU 21 -4.698 1.638 0.593
313 HD13 LEU 21 HD13 LEU 21 -5.668 0.701 -0.562
314 HD21 LEU 21 HD21 LEU 21 -5.723 3.509 1.846
315 HD22 LEU 21 HD22 LEU 21 -6.895 2.328 2.442
316 HD23 LEU 21 HD23 LEU 21 -7.449 3.796 1.632
317 H GLY 22 HN GLY 22 -7.326 4.059 -3.415
318 HA2 GLY 22 HA2 GLY 22 -6.920 5.262 -5.338
319 HA3 GLY 22 HA1 GLY 22 -6.968 6.731 -4.369
320 H HIS 23 HN HIS 23 -5.153 7.639 -5.359
321 HA HIS 23 HA HIS 23 -2.654 6.222 -5.324
322 HB2 HIS 23 HB2 HIS 23 -3.317 9.104 -5.940
323 HB3 HIS 23 HB1 HIS 23 -1.674 8.483 -5.936
324 HD1 HIS 23 HD1 HIS 23 -4.809 8.520 -7.951
325 HD2 HIS 23 HD2 HIS 23 -1.035 6.806 -8.080
326 HE1 HIS 23 HE1 HIS 23 -4.491 7.704 -10.315
327 H GLN 24 HN GLN 24 -1.940 5.743 -3.369
328 HA GLN 24 HA GLN 24 -1.883 7.901 -1.433
329 HB2 GLN 24 HB2 GLN 24 -1.580 4.944 -1.041
330 HB3 GLN 24 HB1 GLN 24 -1.149 6.108 0.209
331 HG2 GLN 24 HG2 GLN 24 -3.426 7.025 0.062
332 HG3 GLN 24 HG1 GLN 24 -3.839 5.724 -1.053
333 HE21 GLN 24 1HE2 GLN 24 -4.766 6.487 1.545
334 HE22 GLN 24 2HE2 GLN 24 -4.663 5.082 2.557
335 H CYS 25 HN CYS 25 -0.246 8.918 -0.992
336 HA CYS 25 HA CYS 25 2.243 8.053 -2.247
337 HB2 CYS 25 HB2 CYS 25 1.358 10.836 -1.464
338 HB3 CYS 25 HB1 CYS 25 2.858 10.446 -2.286
339 H PHE 26 HN PHE 26 4.160 8.017 -1.055
340 HA PHE 26 HA PHE 26 3.674 8.090 1.828
341 HB2 PHE 26 HB2 PHE 26 5.447 6.214 0.273
342 HB3 PHE 26 HB1 PHE 26 5.215 6.195 2.013
343 HD1 PHE 26 HD1 PHE 26 2.814 5.795 2.855
344 HD2 PHE 26 HD2 PHE 26 4.093 4.947 -1.112
345 HE1 PHE 26 HE1 PHE 26 0.922 4.257 2.573
346 HE2 PHE 26 HE2 PHE 26 2.200 3.408 -1.396
347 HZ PHE 26 HZ PHE 26 0.610 3.066 0.455
348 HA PRO 27 HA PRO 27 7.000 11.162 1.197
349 HB2 PRO 27 HB2 PRO 27 6.719 12.348 3.645
350 HB3 PRO 27 HB1 PRO 27 5.735 12.771 2.241
351 HG2 PRO 27 HG2 PRO 27 5.079 10.983 4.543
352 HG3 PRO 27 HG1 PRO 27 4.051 12.163 3.711
353 HD2 PRO 27 HD2 PRO 27 3.881 9.514 3.261
354 HD3 PRO 27 HD1 PRO 27 3.568 10.709 1.989
355 H ASP 28 HN ASP 28 6.632 9.103 4.064
356 HA ASP 28 HA ASP 28 9.549 9.280 4.369
357 HB2 ASP 28 HB2 ASP 28 9.360 8.244 6.523
358 HB3 ASP 28 HB1 ASP 28 8.060 9.421 6.443
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 -6.145 -7.730 4.288
2 HA2 GLY 1 HA2 GLY 1 -7.089 -5.820 3.408
3 HA3 GLY 1 HA1 GLY 1 -7.868 -5.515 4.957
4 H PHE 2 HN PHE 2 -6.990 -3.318 4.233
5 HA PHE 2 HA PHE 2 -4.591 -2.756 5.711
6 HB2 PHE 2 HB2 PHE 2 -3.685 -3.414 3.505
7 HB3 PHE 2 HB1 PHE 2 -4.742 -2.257 2.723
8 HD1 PHE 2 HD1 PHE 2 -4.047 -0.049 2.395
9 HD2 PHE 2 HD2 PHE 2 -1.888 -2.556 5.064
10 HE1 PHE 2 HE1 PHE 2 -2.277 1.645 2.543
11 HE2 PHE 2 HE2 PHE 2 -0.114 -0.863 5.220
12 HZ PHE 2 HZ PHE 2 -0.307 1.242 3.959
13 H CYS 3 HN CYS 3 -4.582 -0.518 6.274
14 HA CYS 3 HA CYS 3 -6.629 1.102 5.023
15 HB2 CYS 3 HB2 CYS 3 -7.627 0.041 7.055
16 HB3 CYS 3 HB1 CYS 3 -6.404 0.851 8.031
17 H TRP 4 HN TRP 4 -6.038 3.143 4.722
18 HA TRP 4 HA TRP 4 -3.875 4.334 6.203
19 HB2 TRP 4 HB2 TRP 4 -2.792 2.976 4.349
20 HB3 TRP 4 HB1 TRP 4 -3.681 3.961 3.199
21 HD1 TRP 4 HD1 TRP 4 -2.885 6.573 2.978
22 HE1 TRP 4 HE1 TRP 4 -0.617 7.680 3.465
23 HE3 TRP 4 3HE TRP 4 -0.776 2.887 5.821
24 HZ2 TRP 4 HZ2 TRP 4 1.755 7.073 4.855
25 HZ3 TRP 4 HZ3 TRP 4 1.499 3.225 6.680
26 HH2 TRP 4 2HH TRP 4 2.739 5.276 6.206
27 H HIS 5 HN HIS 5 -4.082 6.528 6.114
28 HA HIS 5 HA HIS 5 -5.032 8.568 5.875
29 HB2 HIS 5 HB2 HIS 5 -4.272 8.077 3.467
30 HB3 HIS 5 HB1 HIS 5 -5.944 7.652 3.128
31 HD1 HIS 5 HD1 HIS 5 -7.091 9.569 1.968
32 HD2 HIS 5 HD2 HIS 5 -4.238 10.849 4.706
33 HE1 HIS 5 HE1 HIS 5 -7.056 12.090 1.833
34 H HIS 6 HN HIS 6 -6.502 6.333 6.962
35 HA HIS 6 HA HIS 6 -8.431 5.801 7.887
36 HB2 HIS 6 HB2 HIS 6 -9.254 8.562 7.018
37 HB3 HIS 6 HB1 HIS 6 -10.344 7.499 7.902
38 HD1 HIS 6 HD1 HIS 6 -10.112 7.514 10.407
39 HD2 HIS 6 HD2 HIS 6 -6.827 9.157 8.485
40 HE1 HIS 6 HE1 HIS 6 -8.665 8.518 12.223
41 H SER 7 HN SER 7 -7.998 5.642 4.838
42 HA SER 7 HA SER 7 -10.685 4.731 4.179
43 HB2 SER 7 HB2 SER 7 -8.211 5.057 2.469
44 HB3 SER 7 HB1 SER 7 -9.851 4.731 1.892
45 HG SER 7 HG SER 7 -10.246 6.799 3.228
46 H CYS 8 HN CYS 8 -10.997 2.536 4.311
47 HA CYS 8 HA CYS 8 -8.579 0.904 4.650
48 HB2 CYS 8 HB2 CYS 8 -11.291 0.358 5.851
49 HB3 CYS 8 HB1 CYS 8 -9.788 -0.473 6.193
50 H VAL 9 HN VAL 9 -8.454 -0.970 3.492
51 HA VAL 9 HA VAL 9 -10.732 -1.607 1.770
52 HB VAL 9 HB VAL 9 -9.140 -2.834 0.289
53 HG11 VAL 9 HG11 VAL 9 -8.493 0.055 0.749
54 HG12 VAL 9 HG12 VAL 9 -9.734 -0.601 -0.323
55 HG13 VAL 9 3HG1 VAL 9 -8.025 -0.857 -0.686
56 HG21 VAL 9 HG21 VAL 9 -6.986 -1.623 2.032
57 HG22 VAL 9 HG22 VAL 9 -6.713 -2.478 0.514
58 HG23 VAL 9 HG23 VAL 9 -7.375 -3.338 1.904
59 HA PRO 10 HA PRO 10 -11.277 -5.232 4.141
60 HB2 PRO 10 HB2 PRO 10 -12.605 -6.801 2.390
61 HB3 PRO 10 HB1 PRO 10 -13.335 -5.383 3.150
62 HG2 PRO 10 HG2 PRO 10 -12.140 -5.658 0.424
63 HG3 PRO 10 HG1 PRO 10 -13.635 -4.843 0.914
64 HD2 PRO 10 HD2 PRO 10 -11.321 -3.508 0.437
65 HD3 PRO 10 HD1 PRO 10 -12.525 -2.958 1.619
66 H SER 11 HN SER 11 -10.915 -7.544 4.210
67 HA SER 11 HA SER 11 -8.336 -8.284 3.489
68 HB2 SER 11 HB2 SER 11 -10.677 -10.032 4.275
69 HB3 SER 11 HB1 SER 11 -8.961 -10.406 4.456
70 HG SER 11 HG SER 11 -9.433 -9.635 6.391
71 H GLY 12 HN GLY 12 -7.598 -9.020 1.573
72 HA2 GLY 12 HA2 GLY 12 -7.843 -10.732 -0.143
73 HA3 GLY 12 HA1 GLY 12 -9.537 -10.278 -0.254
74 H THR 13 HN THR 13 -8.208 -7.420 0.173
75 HA THR 13 HA THR 13 -8.143 -6.878 -2.644
76 HB THR 13 HB THR 13 -7.789 -5.010 -0.275
77 HG1 THR 13 HG1 THR 13 -9.906 -6.227 -0.758
78 HG21 THR 13 HG21 THR 13 -6.849 -4.087 -2.366
79 HG22 THR 13 HG22 THR 13 -8.305 -3.215 -1.888
80 HG23 THR 13 HG23 THR 13 -8.377 -4.404 -3.188
81 H CYS 14 HN CYS 14 -6.345 -6.589 -3.849
82 HA CYS 14 HA CYS 14 -3.775 -6.731 -2.463
83 HB2 CYS 14 HB2 CYS 14 -4.337 -7.545 -5.328
84 HB3 CYS 14 HB1 CYS 14 -2.889 -7.885 -4.396
85 H ALA 15 HN ALA 15 -1.937 -5.545 -3.701
86 HA ALA 15 HA ALA 15 -2.880 -3.376 -5.373
87 HB1 ALA 15 HB1 ALA 15 -3.041 -2.466 -3.100
88 HB2 ALA 15 HB2 ALA 15 -1.762 -1.669 -4.017
89 HB3 ALA 15 HB3 ALA 15 -1.352 -2.888 -2.811
90 H ASP 16 HN ASP 16 -1.241 -2.493 -6.663
91 HA ASP 16 HA ASP 16 1.081 -4.257 -6.846
92 HB2 ASP 16 HB2 ASP 16 -0.417 -3.963 -8.842
93 HB3 ASP 16 HB1 ASP 16 0.106 -2.282 -8.908
94 H PHE 17 HN PHE 17 2.975 -3.557 -6.169
95 HA PHE 17 HA PHE 17 3.453 -0.670 -5.966
96 HB2 PHE 17 HB2 PHE 17 4.493 -2.964 -4.298
97 HB3 PHE 17 HB1 PHE 17 5.020 -1.301 -4.139
98 HD1 PHE 17 HD1 PHE 17 3.595 0.332 -3.108
99 HD2 PHE 17 HD2 PHE 17 2.400 -3.730 -3.440
100 HE1 PHE 17 HE1 PHE 17 1.901 0.702 -1.397
101 HE2 PHE 17 HE2 PHE 17 0.684 -3.370 -1.724
102 HZ PHE 17 HZ PHE 17 0.438 -1.142 -0.695
103 HA PRO 18 HA PRO 18 7.277 -1.721 -8.199
104 HB2 PRO 18 HB2 PRO 18 8.894 0.227 -6.868
105 HB3 PRO 18 HB1 PRO 18 8.111 0.384 -8.440
106 HG2 PRO 18 HG2 PRO 18 7.442 1.842 -6.179
107 HG3 PRO 18 HG1 PRO 18 6.403 1.597 -7.593
108 HD2 PRO 18 HD2 PRO 18 6.342 0.231 -4.940
109 HD3 PRO 18 HD1 PRO 18 5.012 0.691 -6.012
110 H TRP 19 HN TRP 19 9.634 -2.225 -7.747
111 HA TRP 19 HA TRP 19 9.988 -4.172 -5.800
112 HB2 TRP 19 HB2 TRP 19 11.398 -3.829 -7.868
113 HB3 TRP 19 HB1 TRP 19 12.141 -2.447 -7.078
114 HD1 TRP 19 HD1 TRP 19 12.079 -6.254 -7.015
115 HE1 TRP 19 HE1 TRP 19 14.066 -7.100 -5.638
116 HE3 TRP 19 3HE TRP 19 13.754 -1.801 -5.191
117 HZ2 TRP 19 HZ2 TRP 19 16.077 -6.035 -4.004
118 HZ3 TRP 19 HZ3 TRP 19 15.717 -1.800 -3.725
119 HH2 TRP 19 2HH TRP 19 16.858 -3.878 -3.142
120 HA PRO 20 HA PRO 20 11.291 -5.044 -4.419
121 HB2 PRO 20 HB2 PRO 20 11.736 -5.694 -1.823
122 HB3 PRO 20 HB1 PRO 20 12.981 -5.073 -2.904
123 HG2 PRO 20 HG2 PRO 20 11.730 -3.768 -0.618
124 HG3 PRO 20 HG1 PRO 20 13.165 -3.302 -1.533
125 HD2 PRO 20 HD2 PRO 20 10.434 -2.289 -1.757
126 HD3 PRO 20 HD1 PRO 20 11.926 -1.633 -2.451
127 H LEU 21 HN LEU 21 8.791 -3.368 -3.318
128 HA LEU 21 HA LEU 21 7.415 -5.305 -1.718
129 HB2 LEU 21 HB2 LEU 21 6.360 -2.894 -3.203
130 HB3 LEU 21 HB1 LEU 21 5.453 -3.829 -2.032
131 HG LEU 21 HG LEU 21 7.898 -2.151 -1.452
132 HD11 LEU 21 HD11 LEU 21 5.906 -0.805 -1.892
133 HD12 LEU 21 HD12 LEU 21 6.377 -0.780 -0.181
134 HD13 LEU 21 HD13 LEU 21 5.018 -1.772 -0.700
135 HD21 LEU 21 HD21 LEU 21 7.783 -4.061 -0.057
136 HD22 LEU 21 HD22 LEU 21 6.110 -3.696 0.384
137 HD23 LEU 21 HD23 LEU 21 7.420 -2.611 0.874
138 H GLY 22 HN GLY 22 7.140 -4.109 -5.017
139 HA2 GLY 22 HA2 GLY 22 6.369 -5.114 -6.936
140 HA3 GLY 22 HA1 GLY 22 6.532 -6.667 -6.114
141 H HIS 23 HN HIS 23 4.505 -7.388 -6.938
142 HA HIS 23 HA HIS 23 2.210 -5.864 -6.130
143 HB2 HIS 23 HB2 HIS 23 2.364 -7.341 -8.235
144 HB3 HIS 23 HB1 HIS 23 2.174 -8.710 -7.142
145 HD1 HIS 23 HD1 HIS 23 0.331 -5.955 -8.778
146 HD2 HIS 23 HD2 HIS 23 -0.395 -8.900 -5.943
147 HE1 HIS 23 HE1 HIS 23 -2.188 -6.087 -8.531
148 H GLN 24 HN GLN 24 1.346 -5.992 -4.208
149 HA GLN 24 HA GLN 24 1.904 -8.351 -2.577
150 HB2 GLN 24 HB2 GLN 24 1.798 -5.451 -1.748
151 HB3 GLN 24 HB1 GLN 24 1.678 -6.773 -0.599
152 HG2 GLN 24 HG2 GLN 24 3.881 -7.559 -1.262
153 HG3 GLN 24 HG1 GLN 24 4.006 -6.247 -2.433
154 HE21 GLN 24 1HE2 GLN 24 5.648 -6.930 -0.090
155 HE22 GLN 24 2HE2 GLN 24 5.637 -5.523 0.903
156 H CYS 25 HN CYS 25 0.240 -8.648 -0.901
157 HA CYS 25 HA CYS 25 -2.265 -7.505 -1.731
158 HB2 CYS 25 HB2 CYS 25 -1.996 -9.703 -2.901
159 HB3 CYS 25 HB1 CYS 25 -1.982 -10.484 -1.319
160 H PHE 26 HN PHE 26 -3.920 -7.580 -0.095
161 HA PHE 26 HA PHE 26 -2.671 -7.750 2.527
162 HB2 PHE 26 HB2 PHE 26 -5.021 -6.069 1.648
163 HB3 PHE 26 HB1 PHE 26 -4.220 -6.013 3.217
164 HD1 PHE 26 HD1 PHE 26 -1.655 -5.512 3.137
165 HD2 PHE 26 HD2 PHE 26 -4.382 -4.566 0.015
166 HE1 PHE 26 HE1 PHE 26 -0.080 -3.838 2.273
167 HE2 PHE 26 HE2 PHE 26 -2.811 -2.890 -0.851
168 HZ PHE 26 HZ PHE 26 -0.652 -2.530 0.281
169 HA PRO 27 HA PRO 27 -5.634 -11.175 2.654
170 HB2 PRO 27 HB2 PRO 27 -4.482 -12.477 4.729
171 HB3 PRO 27 HB1 PRO 27 -3.848 -12.570 3.083
172 HG2 PRO 27 HG2 PRO 27 -2.924 -10.885 5.373
173 HG3 PRO 27 HG1 PRO 27 -1.957 -11.793 4.200
174 HD2 PRO 27 HD2 PRO 27 -2.366 -9.121 4.030
175 HD3 PRO 27 HD1 PRO 27 -2.133 -10.144 2.601
176 H ASP 28 HN ASP 28 -4.709 -8.965 5.159
177 HA ASP 28 HA ASP 28 -7.216 -9.561 6.606
178 HB2 ASP 28 HB2 ASP 28 -4.790 -8.067 7.639
179 HB3 ASP 28 HB1 ASP 28 -6.236 -8.461 8.552
180 H1 GLY 1 HN GLY 1 7.669 7.574 2.656
181 HA2 GLY 1 HA2 GLY 1 8.559 5.713 1.494
182 HA3 GLY 1 HA1 GLY 1 9.627 5.407 2.867
183 H PHE 2 HN PHE 2 8.514 3.201 2.319
184 HA PHE 2 HA PHE 2 6.418 2.829 4.267
185 HB2 PHE 2 HB2 PHE 2 5.162 3.481 2.253
186 HB3 PHE 2 HB1 PHE 2 5.972 2.230 1.333
187 HD1 PHE 2 HD1 PHE 2 4.862 0.246 1.005
188 HD2 PHE 2 HD2 PHE 2 3.863 2.625 4.385
189 HE1 PHE 2 HE1 PHE 2 3.043 -1.307 1.551
190 HE2 PHE 2 HE2 PHE 2 2.041 1.071 4.942
191 HZ PHE 2 HZ PHE 2 1.629 -0.897 3.522
192 H CYS 3 HN CYS 3 6.393 0.749 5.023
193 HA CYS 3 HA CYS 3 8.165 -1.182 3.734
194 HB2 CYS 3 HB2 CYS 3 7.954 -0.551 6.686
195 HB3 CYS 3 HB1 CYS 3 8.798 -1.943 6.025
196 H TRP 4 HN TRP 4 7.167 -3.046 3.381
197 HA TRP 4 HA TRP 4 5.128 -3.963 5.198
198 HB2 TRP 4 HB2 TRP 4 3.889 -2.590 3.512
199 HB3 TRP 4 HB1 TRP 4 4.518 -3.632 2.245
200 HD1 TRP 4 HD1 TRP 4 3.341 -6.015 1.942
201 HE1 TRP 4 HE1 TRP 4 1.199 -7.046 2.891
202 HE3 TRP 4 3HE TRP 4 2.421 -2.622 5.644
203 HZ2 TRP 4 HZ2 TRP 4 -0.660 -6.478 4.960
204 HZ3 TRP 4 HZ3 TRP 4 0.437 -2.940 7.058
205 HH2 TRP 4 2HH TRP 4 -1.063 -4.821 6.721
206 H HIS 5 HN HIS 5 5.306 -6.092 5.404
207 HA HIS 5 HA HIS 5 5.883 -8.276 5.094
208 HB2 HIS 5 HB2 HIS 5 4.528 -7.849 2.975
209 HB3 HIS 5 HB1 HIS 5 6.050 -7.581 2.145
210 HD1 HIS 5 HD1 HIS 5 6.778 -9.581 0.895
211 HD2 HIS 5 HD2 HIS 5 4.549 -10.566 4.246
212 HE1 HIS 5 HE1 HIS 5 6.502 -12.083 0.828
213 H HIS 6 HN HIS 6 7.818 -6.269 5.628
214 HA HIS 6 HA HIS 6 9.987 -6.030 6.054
215 HB2 HIS 6 HB2 HIS 6 10.235 -8.852 5.003
216 HB3 HIS 6 HB1 HIS 6 11.575 -7.954 5.707
217 HD1 HIS 6 HD1 HIS 6 11.464 -7.518 8.315
218 HD2 HIS 6 HD2 HIS 6 8.381 -9.827 6.756
219 HE1 HIS 6 HE1 HIS 6 10.328 -8.594 10.293
220 H SER 7 HN SER 7 8.841 -5.381 3.366
221 HA SER 7 HA SER 7 11.426 -5.001 2.077
222 HB2 SER 7 HB2 SER 7 8.659 -5.368 0.942
223 HB3 SER 7 HB1 SER 7 10.072 -4.960 -0.060
224 HG SER 7 HG SER 7 10.452 -7.127 1.555
225 H CYS 8 HN CYS 8 11.896 -2.787 1.644
226 HA CYS 8 HA CYS 8 9.785 -0.908 2.421
227 HB2 CYS 8 HB2 CYS 8 12.732 -0.768 3.025
228 HB3 CYS 8 HB1 CYS 8 11.587 0.532 3.319
229 H VAL 9 HN VAL 9 9.504 0.858 1.228
230 HA VAL 9 HA VAL 9 11.270 1.217 -1.065
231 HB VAL 9 HB VAL 9 9.373 2.521 -2.134
232 HG11 VAL 9 HG11 VAL 9 8.846 -0.358 -1.462
233 HG12 VAL 9 HG12 VAL 9 9.821 0.242 -2.803
234 HG13 VAL 9 3HG1 VAL 9 8.079 0.527 -2.779
235 HG21 VAL 9 HG21 VAL 9 7.094 2.165 -1.269
236 HG22 VAL 9 HG22 VAL 9 8.097 3.045 -0.116
237 HG23 VAL 9 HG23 VAL 9 7.768 1.332 0.133
238 HA PRO 10 HA PRO 10 12.615 5.033 0.712
239 HB2 PRO 10 HB2 PRO 10 12.890 6.138 -2.002
240 HB3 PRO 10 HB1 PRO 10 14.137 5.816 -0.794
241 HG2 PRO 10 HG2 PRO 10 13.923 4.310 -2.980
242 HG3 PRO 10 HG1 PRO 10 14.353 3.606 -1.414
243 HD2 PRO 10 HD2 PRO 10 11.704 3.630 -2.810
244 HD3 PRO 10 HD1 PRO 10 12.544 2.291 -1.991
245 H SER 11 HN SER 11 12.282 7.374 0.717
246 HA SER 11 HA SER 11 9.583 8.075 0.826
247 HB2 SER 11 HB2 SER 11 10.624 10.377 1.183
248 HB3 SER 11 HB1 SER 11 11.079 9.114 2.323
249 HG SER 11 HG SER 11 12.545 10.130 0.132
250 H GLY 12 HN GLY 12 8.291 8.879 -0.710
251 HA2 GLY 12 HA2 GLY 12 8.023 10.449 -2.547
252 HA3 GLY 12 HA1 GLY 12 9.587 9.902 -3.145
253 H THR 13 HN THR 13 8.395 7.148 -2.127
254 HA THR 13 HA THR 13 7.492 6.347 -4.709
255 HB THR 13 HB THR 13 7.263 4.850 -2.072
256 HG1 THR 13 HG1 THR 13 9.411 5.199 -2.346
257 HG21 THR 13 HG21 THR 13 7.300 3.871 -4.938
258 HG22 THR 13 HG22 THR 13 5.887 3.911 -3.885
259 HG23 THR 13 HG23 THR 13 7.239 2.843 -3.507
260 H CYS 14 HN CYS 14 5.488 6.707 -5.448
261 HA CYS 14 HA CYS 14 3.343 7.048 -3.507
262 HB2 CYS 14 HB2 CYS 14 3.340 7.900 -6.410
263 HB3 CYS 14 HB1 CYS 14 2.173 8.347 -5.180
264 H ALA 15 HN ALA 15 1.584 5.634 -3.610
265 HA ALA 15 HA ALA 15 1.865 3.554 -5.643
266 HB1 ALA 15 HB1 ALA 15 1.247 1.893 -4.000
267 HB2 ALA 15 HB2 ALA 15 1.108 3.142 -2.765
268 HB3 ALA 15 HB3 ALA 15 2.682 2.775 -3.474
269 H ASP 16 HN ASP 16 0.089 2.748 -6.504
270 HA ASP 16 HA ASP 16 -2.374 4.238 -6.095
271 HB2 ASP 16 HB2 ASP 16 -1.604 4.111 -8.385
272 HB3 ASP 16 HB1 ASP 16 -1.475 2.362 -8.279
273 H PHE 17 HN PHE 17 -3.605 3.404 -4.573
274 HA PHE 17 HA PHE 17 -3.835 0.513 -4.381
275 HB2 PHE 17 HB2 PHE 17 -4.746 2.743 -2.568
276 HB3 PHE 17 HB1 PHE 17 -5.110 1.046 -2.302
277 HD1 PHE 17 HD1 PHE 17 -3.536 -0.395 -1.346
278 HD2 PHE 17 HD2 PHE 17 -2.444 3.585 -2.352
279 HE1 PHE 17 HE1 PHE 17 -1.520 -0.624 -0.005
280 HE2 PHE 17 HE2 PHE 17 -0.399 3.368 -1.011
281 HZ PHE 17 HZ PHE 17 0.068 1.249 0.174
282 HA PRO 18 HA PRO 18 -7.877 0.785 -6.245
283 HB2 PRO 18 HB2 PRO 18 -8.851 -1.225 -4.316
284 HB3 PRO 18 HB1 PRO 18 -8.722 -1.341 -6.072
285 HG2 PRO 18 HG2 PRO 18 -7.079 -2.716 -4.472
286 HG3 PRO 18 HG1 PRO 18 -6.512 -2.017 -6.000
287 HD2 PRO 18 HD2 PRO 18 -6.171 -0.985 -3.209
288 HD3 PRO 18 HD1 PRO 18 -4.982 -1.089 -4.522
289 H TRP 19 HN TRP 19 -10.197 1.068 -5.610
290 HA TRP 19 HA TRP 19 -10.474 3.100 -3.649
291 HB2 TRP 19 HB2 TRP 19 -11.845 2.909 -5.759
292 HB3 TRP 19 HB1 TRP 19 -12.627 1.490 -5.082
293 HD1 TRP 19 HD1 TRP 19 -12.516 5.294 -4.759
294 HE1 TRP 19 HE1 TRP 19 -14.563 6.082 -3.431
295 HE3 TRP 19 3HE TRP 19 -14.324 0.751 -3.362
296 HZ2 TRP 19 HZ2 TRP 19 -16.703 4.896 -1.986
297 HZ3 TRP 19 HZ3 TRP 19 -16.368 0.651 -2.021
298 HH2 TRP 19 2HH TRP 19 -17.533 2.679 -1.344
299 HA PRO 20 HA PRO 20 -11.877 3.874 -2.238
300 HB2 PRO 20 HB2 PRO 20 -12.332 4.196 0.487
301 HB3 PRO 20 HB1 PRO 20 -13.563 3.915 -0.742
302 HG2 PRO 20 HG2 PRO 20 -12.823 2.153 1.358
303 HG3 PRO 20 HG1 PRO 20 -13.909 1.805 0.007
304 HD2 PRO 20 HD2 PRO 20 -11.026 1.150 0.347
305 HD3 PRO 20 HD1 PRO 20 -12.296 0.251 -0.512
306 H LEU 21 HN LEU 21 -9.290 2.256 -1.257
307 HA LEU 21 HA LEU 21 -7.983 3.839 0.712
308 HB2 LEU 21 HB2 LEU 21 -7.494 1.439 -0.327
309 HB3 LEU 21 HB1 LEU 21 -6.512 2.359 -1.428
310 HG LEU 21 HG LEU 21 -5.058 1.482 0.187
311 HD11 LEU 21 HD11 LEU 21 -5.499 4.325 1.010
312 HD12 LEU 21 HD12 LEU 21 -4.532 3.758 -0.349
313 HD13 LEU 21 HD13 LEU 21 -4.050 3.355 1.297
314 HD21 LEU 21 HD21 LEU 21 -6.908 2.506 2.315
315 HD22 LEU 21 HD22 LEU 21 -5.332 1.777 2.603
316 HD23 LEU 21 HD23 LEU 21 -6.623 0.823 1.871
317 H GLY 22 HN GLY 22 -7.568 3.607 -2.817
318 HA2 GLY 22 HA2 GLY 22 -7.391 5.345 -4.344
319 HA3 GLY 22 HA1 GLY 22 -7.273 6.480 -3.009
320 H HIS 23 HN HIS 23 -5.643 7.132 -4.774
321 HA HIS 23 HA HIS 23 -3.114 5.783 -4.685
322 HB2 HIS 23 HB2 HIS 23 -3.847 6.971 -6.724
323 HB3 HIS 23 HB1 HIS 23 -3.908 8.481 -5.828
324 HD1 HIS 23 HD1 HIS 23 -1.785 9.853 -5.847
325 HD2 HIS 23 HD2 HIS 23 -1.161 5.909 -6.970
326 HE1 HIS 23 HE1 HIS 23 0.611 9.710 -6.588
327 H GLN 24 HN GLN 24 -1.692 6.038 -3.111
328 HA GLN 24 HA GLN 24 -1.776 8.504 -1.514
329 HB2 GLN 24 HB2 GLN 24 -1.239 5.702 -0.502
330 HB3 GLN 24 HB1 GLN 24 -1.149 7.169 0.456
331 HG2 GLN 24 HG2 GLN 24 -3.617 6.022 -0.822
332 HG3 GLN 24 HG1 GLN 24 -3.209 5.970 0.890
333 HE21 GLN 24 1HE2 GLN 24 -5.497 7.104 -0.480
334 HE22 GLN 24 2HE2 GLN 24 -5.557 8.768 -0.029
335 H CYS 25 HN CYS 25 0.238 9.303 -0.956
336 HA CYS 25 HA CYS 25 2.396 7.790 -2.166
337 HB2 CYS 25 HB2 CYS 25 1.905 9.978 -3.320
338 HB3 CYS 25 HB1 CYS 25 2.393 10.792 -1.834
339 H PHE 26 HN PHE 26 4.421 7.745 -1.096
340 HA PHE 26 HA PHE 26 4.022 8.057 1.783
341 HB2 PHE 26 HB2 PHE 26 5.808 6.139 0.288
342 HB3 PHE 26 HB1 PHE 26 5.621 6.204 2.034
343 HD1 PHE 26 HD1 PHE 26 3.199 5.901 2.925
344 HD2 PHE 26 HD2 PHE 26 4.477 4.723 -0.957
345 HE1 PHE 26 HE1 PHE 26 1.300 4.351 2.772
346 HE2 PHE 26 HE2 PHE 26 2.583 3.171 -1.115
347 HZ PHE 26 HZ PHE 26 0.986 2.988 0.756
348 HA PRO 27 HA PRO 27 7.287 11.172 0.986
349 HB2 PRO 27 HB2 PRO 27 6.392 12.246 3.562
350 HB3 PRO 27 HB1 PRO 27 6.421 13.024 1.979
351 HG2 PRO 27 HG2 PRO 27 4.106 12.327 3.154
352 HG3 PRO 27 HG1 PRO 27 4.332 12.226 1.398
353 HD2 PRO 27 HD2 PRO 27 4.476 10.044 3.448
354 HD3 PRO 27 HD1 PRO 27 3.660 10.061 1.866
355 H ASP 28 HN ASP 28 6.728 9.054 3.650
356 HA ASP 28 HA ASP 28 9.462 9.535 4.641
357 HB2 ASP 28 HB2 ASP 28 7.263 7.884 5.924
358 HB3 ASP 28 HB1 ASP 28 8.853 8.170 6.590
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 -6.251 -7.745 4.056
2 HA2 GLY 1 HA2 GLY 1 -7.236 -5.875 3.069
3 HA3 GLY 1 HA1 GLY 1 -7.947 -5.457 4.622
4 H PHE 2 HN PHE 2 -7.049 -3.326 3.739
5 HA PHE 2 HA PHE 2 -4.477 -2.928 5.025
6 HB2 PHE 2 HB2 PHE 2 -3.849 -3.405 2.714
7 HB3 PHE 2 HB1 PHE 2 -4.970 -2.193 2.128
8 HD1 PHE 2 HD1 PHE 2 -4.113 -0.140 1.549
9 HD2 PHE 2 HD2 PHE 2 -2.050 -2.492 4.432
10 HE1 PHE 2 HE1 PHE 2 -2.311 1.527 1.613
11 HE2 PHE 2 HE2 PHE 2 -0.247 -0.827 4.505
12 HZ PHE 2 HZ PHE 2 -0.374 1.187 3.093
13 H CYS 3 HN CYS 3 -4.362 -1.031 6.028
14 HA CYS 3 HA CYS 3 -6.449 0.925 5.481
15 HB2 CYS 3 HB2 CYS 3 -5.332 0.017 8.132
16 HB3 CYS 3 HB1 CYS 3 -6.300 1.470 7.941
17 H TRP 4 HN TRP 4 -5.791 2.929 5.216
18 HA TRP 4 HA TRP 4 -3.314 3.866 6.220
19 HB2 TRP 4 HB2 TRP 4 -2.636 2.603 4.169
20 HB3 TRP 4 HB1 TRP 4 -3.641 3.686 3.219
21 HD1 TRP 4 HD1 TRP 4 -2.659 6.133 2.750
22 HE1 TRP 4 HE1 TRP 4 -0.338 7.175 3.104
23 HE3 TRP 4 3HE TRP 4 -0.635 2.564 5.777
24 HZ2 TRP 4 HZ2 TRP 4 2.034 6.566 4.489
25 HZ3 TRP 4 HZ3 TRP 4 1.664 2.870 6.578
26 HH2 TRP 4 2HH TRP 4 2.967 4.827 5.950
27 H HIS 5 HN HIS 5 -3.648 5.844 6.694
28 HA HIS 5 HA HIS 5 -4.516 7.872 6.986
29 HB2 HIS 5 HB2 HIS 5 -3.269 8.150 4.818
30 HB3 HIS 5 HB1 HIS 5 -4.791 7.918 3.969
31 HD1 HIS 5 HD1 HIS 5 -6.072 10.040 3.495
32 HD2 HIS 5 HD2 HIS 5 -3.352 10.474 6.596
33 HE1 HIS 5 HE1 HIS 5 -6.097 12.478 4.110
34 H HIS 6 HN HIS 6 -6.296 6.416 7.846
35 HA HIS 6 HA HIS 6 -8.427 6.355 8.563
36 HB2 HIS 6 HB2 HIS 6 -9.020 8.662 6.679
37 HB3 HIS 6 HB1 HIS 6 -10.000 8.149 8.041
38 HD1 HIS 6 HD1 HIS 6 -9.202 8.966 10.431
39 HD2 HIS 6 HD2 HIS 6 -6.776 10.164 7.275
40 HE1 HIS 6 HE1 HIS 6 -7.665 10.733 11.356
41 H SER 7 HN SER 7 -7.515 5.333 5.701
42 HA SER 7 HA SER 7 -10.211 4.646 4.747
43 HB2 SER 7 HB2 SER 7 -7.698 4.983 3.117
44 HB3 SER 7 HB1 SER 7 -9.345 4.773 2.509
45 HG SER 7 HG SER 7 -8.323 6.935 4.008
46 H CYS 8 HN CYS 8 -10.532 2.452 4.177
47 HA CYS 8 HA CYS 8 -8.216 0.691 4.407
48 HB2 CYS 8 HB2 CYS 8 -10.883 0.249 5.772
49 HB3 CYS 8 HB1 CYS 8 -9.586 -0.931 5.685
50 H VAL 9 HN VAL 9 -8.291 -1.102 3.138
51 HA VAL 9 HA VAL 9 -10.583 -1.324 1.324
52 HB VAL 9 HB VAL 9 -9.059 -2.510 -0.283
53 HG11 VAL 9 HG11 VAL 9 -8.162 0.228 0.535
54 HG12 VAL 9 HG12 VAL 9 -9.489 -0.142 -0.571
55 HG13 VAL 9 3HG1 VAL 9 -7.823 -0.521 -1.023
56 HG21 VAL 9 HG21 VAL 9 -6.621 -2.353 0.033
57 HG22 VAL 9 HG22 VAL 9 -7.386 -3.318 1.300
58 HG23 VAL 9 HG23 VAL 9 -6.895 -1.656 1.631
59 HA PRO 10 HA PRO 10 -11.726 -5.209 2.997
60 HB2 PRO 10 HB2 PRO 10 -11.884 -6.320 0.254
61 HB3 PRO 10 HB1 PRO 10 -13.138 -6.204 1.490
62 HG2 PRO 10 HG2 PRO 10 -13.180 -4.585 -0.603
63 HG3 PRO 10 HG1 PRO 10 -13.587 -3.985 1.015
64 HD2 PRO 10 HD2 PRO 10 -11.047 -3.666 -0.536
65 HD3 PRO 10 HD1 PRO 10 -11.942 -2.479 0.440
66 H SER 11 HN SER 11 -11.159 -7.343 3.379
67 HA SER 11 HA SER 11 -8.433 -8.110 3.114
68 HB2 SER 11 HB2 SER 11 -10.880 -9.736 3.844
69 HB3 SER 11 HB1 SER 11 -9.202 -10.069 4.287
70 HG SER 11 HG SER 11 -10.681 -8.936 5.874
71 H GLY 12 HN GLY 12 -7.527 -9.021 1.389
72 HA2 GLY 12 HA2 GLY 12 -7.626 -10.851 -0.185
73 HA3 GLY 12 HA1 GLY 12 -9.306 -10.419 -0.489
74 H THR 13 HN THR 13 -8.005 -7.540 -0.153
75 HA THR 13 HA THR 13 -7.926 -6.939 -2.909
76 HB THR 13 HB THR 13 -6.888 -5.346 -0.550
77 HG1 THR 13 HG1 THR 13 -8.984 -5.533 -0.192
78 HG21 THR 13 HG21 THR 13 -6.019 -4.514 -2.703
79 HG22 THR 13 HG22 THR 13 -7.182 -3.386 -2.004
80 HG23 THR 13 HG23 THR 13 -7.666 -4.442 -3.329
81 H CYS 14 HN CYS 14 -6.293 -7.359 -4.272
82 HA CYS 14 HA CYS 14 -3.614 -7.622 -3.162
83 HB2 CYS 14 HB2 CYS 14 -4.686 -8.646 -5.808
84 HB3 CYS 14 HB1 CYS 14 -3.075 -8.936 -5.174
85 H ALA 15 HN ALA 15 -1.908 -6.351 -4.071
86 HA ALA 15 HA ALA 15 -2.630 -4.475 -6.160
87 HB1 ALA 15 HB1 ALA 15 -1.977 -2.524 -4.846
88 HB2 ALA 15 HB2 ALA 15 -1.716 -3.548 -3.435
89 HB3 ALA 15 HB3 ALA 15 -3.341 -3.350 -4.091
90 H ASP 16 HN ASP 16 -0.858 -3.594 -7.182
91 HA ASP 16 HA ASP 16 1.605 -4.982 -6.526
92 HB2 ASP 16 HB2 ASP 16 2.411 -4.584 -8.780
93 HB3 ASP 16 HB1 ASP 16 0.830 -5.334 -8.846
94 H PHE 17 HN PHE 17 3.361 -4.066 -5.986
95 HA PHE 17 HA PHE 17 3.477 -1.144 -5.766
96 HB2 PHE 17 HB2 PHE 17 4.611 -3.361 -4.056
97 HB3 PHE 17 HB1 PHE 17 5.139 -1.699 -3.930
98 HD1 PHE 17 HD1 PHE 17 3.968 -0.168 -2.641
99 HD2 PHE 17 HD2 PHE 17 2.243 -3.970 -3.473
100 HE1 PHE 17 HE1 PHE 17 2.267 0.238 -0.931
101 HE2 PHE 17 HE2 PHE 17 0.534 -3.567 -1.763
102 HZ PHE 17 HZ PHE 17 0.554 -1.443 -0.482
103 HA PRO 18 HA PRO 18 7.415 -1.747 -7.940
104 HB2 PRO 18 HB2 PRO 18 8.681 0.305 -6.268
105 HB3 PRO 18 HB1 PRO 18 8.309 0.370 -7.990
106 HG2 PRO 18 HG2 PRO 18 7.001 1.881 -6.185
107 HG3 PRO 18 HG1 PRO 18 6.209 1.250 -7.639
108 HD2 PRO 18 HD2 PRO 18 6.112 0.214 -4.831
109 HD3 PRO 18 HD1 PRO 18 4.792 0.416 -6.006
110 H TRP 19 HN TRP 19 9.740 -2.171 -7.380
111 HA TRP 19 HA TRP 19 10.210 -4.038 -5.346
112 HB2 TRP 19 HB2 TRP 19 11.707 -4.045 -7.187
113 HB3 TRP 19 HB1 TRP 19 11.984 -2.316 -7.076
114 HD1 TRP 19 HD1 TRP 19 13.411 -1.555 -5.130
115 HE1 TRP 19 HE1 TRP 19 15.552 -2.562 -3.975
116 HE3 TRP 19 3HE TRP 19 12.692 -6.320 -6.403
117 HZ2 TRP 19 HZ2 TRP 19 16.666 -5.117 -3.667
118 HZ3 TRP 19 HZ3 TRP 19 14.271 -8.012 -5.615
119 HH2 TRP 19 2HH TRP 19 16.216 -7.437 -4.297
120 HA PRO 20 HA PRO 20 11.757 -4.711 -4.139
121 HB2 PRO 20 HB2 PRO 20 11.737 -5.130 -1.232
122 HB3 PRO 20 HB1 PRO 20 13.051 -5.364 -2.391
123 HG2 PRO 20 HG2 PRO 20 13.138 -3.340 -0.704
124 HG3 PRO 20 HG1 PRO 20 13.598 -3.196 -2.429
125 HD2 PRO 20 HD2 PRO 20 10.911 -2.474 -1.202
126 HD3 PRO 20 HD1 PRO 20 11.997 -1.408 -2.134
127 H LEU 21 HN LEU 21 8.876 -3.543 -3.152
128 HA LEU 21 HA LEU 21 7.776 -5.839 -1.830
129 HB2 LEU 21 HB2 LEU 21 6.541 -3.291 -2.796
130 HB3 LEU 21 HB1 LEU 21 5.526 -4.639 -2.349
131 HG LEU 21 HG LEU 21 5.620 -3.107 -0.532
132 HD11 LEU 21 HD11 LEU 21 7.300 -5.512 0.098
133 HD12 LEU 21 HD12 LEU 21 5.542 -5.432 0.050
134 HD13 LEU 21 HD13 LEU 21 6.432 -4.511 1.260
135 HD21 LEU 21 HD21 LEU 21 7.689 -2.496 0.614
136 HD22 LEU 21 HD22 LEU 21 7.685 -1.975 -1.075
137 HD23 LEU 21 HD23 LEU 21 8.621 -3.391 -0.594
138 H GLY 22 HN GLY 22 7.171 -4.400 -5.005
139 HA2 GLY 22 HA2 GLY 22 6.550 -5.442 -6.968
140 HA3 GLY 22 HA1 GLY 22 6.878 -6.996 -6.197
141 H HIS 23 HN HIS 23 4.935 -7.889 -7.048
142 HA HIS 23 HA HIS 23 2.437 -6.692 -6.313
143 HB2 HIS 23 HB2 HIS 23 2.552 -8.032 -8.371
144 HB3 HIS 23 HB1 HIS 23 2.995 -9.455 -7.435
145 HD1 HIS 23 HD1 HIS 23 1.033 -10.982 -6.947
146 HD2 HIS 23 HD2 HIS 23 -0.124 -7.027 -7.494
147 HE1 HIS 23 HE1 HIS 23 -1.458 -10.955 -6.729
148 H GLN 24 HN GLN 24 1.418 -6.863 -4.460
149 HA GLN 24 HA GLN 24 1.960 -9.170 -2.749
150 HB2 GLN 24 HB2 GLN 24 1.829 -6.264 -1.897
151 HB3 GLN 24 HB1 GLN 24 1.814 -7.621 -0.784
152 HG2 GLN 24 HG2 GLN 24 4.063 -6.910 -2.665
153 HG3 GLN 24 HG1 GLN 24 4.021 -6.590 -0.932
154 HE21 GLN 24 1HE2 GLN 24 5.901 -8.202 -2.515
155 HE22 GLN 24 2HE2 GLN 24 5.854 -9.778 -1.801
156 H CYS 25 HN CYS 25 0.153 -9.355 -1.066
157 HA CYS 25 HA CYS 25 -2.242 -8.071 -2.001
158 HB2 CYS 25 HB2 CYS 25 -2.071 -10.363 -3.052
159 HB3 CYS 25 HB1 CYS 25 -2.117 -11.049 -1.436
160 H PHE 26 HN PHE 26 -3.921 -8.012 -0.373
161 HA PHE 26 HA PHE 26 -2.707 -7.951 2.291
162 HB2 PHE 26 HB2 PHE 26 -5.072 -6.402 1.225
163 HB3 PHE 26 HB1 PHE 26 -4.326 -6.190 2.799
164 HD1 PHE 26 HD1 PHE 26 -1.738 -5.637 2.694
165 HD2 PHE 26 HD2 PHE 26 -4.510 -4.971 -0.458
166 HE1 PHE 26 HE1 PHE 26 -0.242 -3.938 1.737
167 HE2 PHE 26 HE2 PHE 26 -3.022 -3.278 -1.419
168 HZ PHE 26 HZ PHE 26 -0.888 -2.761 -0.323
169 HA PRO 27 HA PRO 27 -5.739 -11.371 2.649
170 HB2 PRO 27 HB2 PRO 27 -4.323 -11.952 5.142
171 HB3 PRO 27 HB1 PRO 27 -4.531 -12.982 3.725
172 HG2 PRO 27 HG2 PRO 27 -2.157 -11.882 4.418
173 HG3 PRO 27 HG1 PRO 27 -2.603 -12.226 2.744
174 HD2 PRO 27 HD2 PRO 27 -2.558 -9.641 4.210
175 HD3 PRO 27 HD1 PRO 27 -2.169 -9.982 2.512
176 H ASP 28 HN ASP 28 -4.828 -9.060 5.117
177 HA ASP 28 HA ASP 28 -7.494 -9.447 6.316
178 HB2 ASP 28 HB2 ASP 28 -6.664 -8.565 8.400
179 HB3 ASP 28 HB1 ASP 28 -5.558 -9.822 7.872
180 H1 GLY 1 HN GLY 1 7.843 7.734 2.195
181 HA2 GLY 1 HA2 GLY 1 8.495 5.684 1.360
182 HA3 GLY 1 HA1 GLY 1 9.475 5.446 2.807
183 H PHE 2 HN PHE 2 8.418 3.236 2.421
184 HA PHE 2 HA PHE 2 6.224 2.988 4.269
185 HB2 PHE 2 HB2 PHE 2 5.000 3.471 2.223
186 HB3 PHE 2 HB1 PHE 2 5.899 2.246 1.351
187 HD1 PHE 2 HD1 PHE 2 4.899 0.208 1.020
188 HD2 PHE 2 HD2 PHE 2 3.691 2.580 4.342
189 HE1 PHE 2 HE1 PHE 2 3.148 -1.425 1.546
190 HE2 PHE 2 HE2 PHE 2 1.938 0.940 4.874
191 HZ PHE 2 HZ PHE 2 1.667 -1.064 3.471
192 H CYS 3 HN CYS 3 6.431 1.130 5.355
193 HA CYS 3 HA CYS 3 8.212 -0.912 4.256
194 HB2 CYS 3 HB2 CYS 3 7.659 -0.153 7.129
195 HB3 CYS 3 HB1 CYS 3 8.621 -1.538 6.627
196 H TRP 4 HN TRP 4 7.356 -2.816 3.898
197 HA TRP 4 HA TRP 4 5.131 -3.786 5.439
198 HB2 TRP 4 HB2 TRP 4 3.978 -2.548 3.675
199 HB3 TRP 4 HB1 TRP 4 4.938 -3.334 2.439
200 HD1 TRP 4 HD1 TRP 4 4.215 -5.862 1.780
201 HE1 TRP 4 HE1 TRP 4 2.069 -7.222 2.212
202 HE3 TRP 4 3HE TRP 4 2.063 -2.907 5.364
203 HZ2 TRP 4 HZ2 TRP 4 -0.215 -7.069 3.829
204 HZ3 TRP 4 HZ3 TRP 4 -0.116 -3.594 6.292
205 HH2 TRP 4 2HH TRP 4 -1.224 -5.623 5.538
206 H HIS 5 HN HIS 5 5.397 -5.887 5.712
207 HA HIS 5 HA HIS 5 6.143 -8.024 5.574
208 HB2 HIS 5 HB2 HIS 5 4.887 -7.755 3.344
209 HB3 HIS 5 HB1 HIS 5 6.459 -7.541 2.594
210 HD1 HIS 5 HD1 HIS 5 6.196 -9.753 1.174
211 HD2 HIS 5 HD2 HIS 5 5.957 -10.290 5.290
212 HE1 HIS 5 HE1 HIS 5 6.283 -12.225 1.564
213 H HIS 6 HN HIS 6 7.992 -5.999 6.175
214 HA HIS 6 HA HIS 6 10.100 -5.821 6.791
215 HB2 HIS 6 HB2 HIS 6 10.540 -8.463 5.385
216 HB3 HIS 6 HB1 HIS 6 11.837 -7.583 6.178
217 HD1 HIS 6 HD1 HIS 6 12.069 -7.923 8.679
218 HD2 HIS 6 HD2 HIS 6 8.491 -9.400 7.171
219 HE1 HIS 6 HE1 HIS 6 11.008 -9.240 10.556
220 H SER 7 HN SER 7 9.037 -5.265 3.853
221 HA SER 7 HA SER 7 11.679 -4.428 2.879
222 HB2 SER 7 HB2 SER 7 9.151 -4.992 1.318
223 HB3 SER 7 HB1 SER 7 10.690 -4.484 0.623
224 HG SER 7 HG SER 7 10.406 -6.787 2.239
225 H CYS 8 HN CYS 8 11.984 -2.253 2.361
226 HA CYS 8 HA CYS 8 9.683 -0.507 2.870
227 HB2 CYS 8 HB2 CYS 8 12.568 -0.011 3.637
228 HB3 CYS 8 HB1 CYS 8 11.229 1.101 3.888
229 H VAL 9 HN VAL 9 9.250 0.893 1.329
230 HA VAL 9 HA VAL 9 11.159 1.225 -0.861
231 HB VAL 9 HB VAL 9 9.295 2.394 -2.073
232 HG11 VAL 9 HG11 VAL 9 8.680 -0.336 -1.025
233 HG12 VAL 9 HG12 VAL 9 9.631 0.049 -2.464
234 HG13 VAL 9 3HG1 VAL 9 7.895 0.385 -2.428
235 HG21 VAL 9 HG21 VAL 9 7.637 1.568 0.309
236 HG22 VAL 9 HG22 VAL 9 7.005 2.255 -1.189
237 HG23 VAL 9 HG23 VAL 9 8.043 3.224 -0.140
238 HA PRO 10 HA PRO 10 12.484 5.142 0.597
239 HB2 PRO 10 HB2 PRO 10 13.122 6.390 -1.727
240 HB3 PRO 10 HB1 PRO 10 14.100 5.091 -1.031
241 HG2 PRO 10 HG2 PRO 10 12.056 4.958 -3.215
242 HG3 PRO 10 HG1 PRO 10 13.657 4.198 -3.138
243 HD2 PRO 10 HD2 PRO 10 11.396 2.837 -2.608
244 HD3 PRO 10 HD1 PRO 10 12.917 2.495 -1.760
245 H SER 11 HN SER 11 11.991 7.361 0.683
246 HA SER 11 HA SER 11 9.312 8.071 0.501
247 HB2 SER 11 HB2 SER 11 11.744 9.861 0.634
248 HB3 SER 11 HB1 SER 11 10.102 10.259 1.143
249 HG SER 11 HG SER 11 11.422 9.683 2.869
250 H GLY 12 HN GLY 12 8.167 8.955 -1.135
251 HA2 GLY 12 HA2 GLY 12 8.155 10.487 -3.043
252 HA3 GLY 12 HA1 GLY 12 9.675 9.748 -3.537
253 H THR 13 HN THR 13 8.461 7.145 -2.521
254 HA THR 13 HA THR 13 7.484 6.239 -5.023
255 HB THR 13 HB THR 13 7.389 4.918 -2.296
256 HG1 THR 13 HG1 THR 13 9.469 5.090 -2.649
257 HG21 THR 13 HG21 THR 13 5.882 3.843 -3.930
258 HG22 THR 13 HG22 THR 13 7.259 2.805 -3.561
259 HG23 THR 13 HG23 THR 13 7.220 3.712 -5.071
260 H CYS 14 HN CYS 14 5.456 6.499 -5.771
261 HA CYS 14 HA CYS 14 3.344 6.917 -3.812
262 HB2 CYS 14 HB2 CYS 14 3.352 7.770 -6.718
263 HB3 CYS 14 HB1 CYS 14 2.162 8.198 -5.505
264 H ALA 15 HN ALA 15 1.358 5.664 -4.100
265 HA ALA 15 HA ALA 15 1.358 3.758 -6.301
266 HB1 ALA 15 HB1 ALA 15 1.078 2.952 -3.407
267 HB2 ALA 15 HB2 ALA 15 2.470 2.610 -4.434
268 HB3 ALA 15 HB3 ALA 15 0.903 1.889 -4.803
269 H ASP 16 HN ASP 16 -0.666 3.107 -6.924
270 HA ASP 16 HA ASP 16 -2.830 4.599 -5.666
271 HB2 ASP 16 HB2 ASP 16 -4.199 4.209 -7.638
272 HB3 ASP 16 HB1 ASP 16 -2.650 4.869 -8.131
273 H PHE 17 HN PHE 17 -4.677 3.669 -4.932
274 HA PHE 17 HA PHE 17 -4.753 0.760 -4.726
275 HB2 PHE 17 HB2 PHE 17 -5.120 2.799 -2.518
276 HB3 PHE 17 HB1 PHE 17 -5.509 1.096 -2.357
277 HD1 PHE 17 HD1 PHE 17 -3.757 -0.541 -2.154
278 HD2 PHE 17 HD2 PHE 17 -2.835 3.600 -2.507
279 HE1 PHE 17 HE1 PHE 17 -1.495 -0.979 -1.364
280 HE2 PHE 17 HE2 PHE 17 -0.564 3.168 -1.711
281 HZ PHE 17 HZ PHE 17 0.120 0.878 -1.137
282 HA PRO 18 HA PRO 18 -9.130 1.319 -5.665
283 HB2 PRO 18 HB2 PRO 18 -9.738 -0.297 -3.240
284 HB3 PRO 18 HB1 PRO 18 -10.250 -0.571 -4.905
285 HG2 PRO 18 HG2 PRO 18 -8.380 -2.096 -3.850
286 HG3 PRO 18 HG1 PRO 18 -8.194 -1.498 -5.509
287 HD2 PRO 18 HD2 PRO 18 -6.912 -0.509 -2.989
288 HD3 PRO 18 HD1 PRO 18 -6.182 -0.774 -4.580
289 H TRP 19 HN TRP 19 -11.036 2.396 -4.897
290 HA TRP 19 HA TRP 19 -10.683 4.405 -2.928
291 HB2 TRP 19 HB2 TRP 19 -12.252 4.505 -4.921
292 HB3 TRP 19 HB1 TRP 19 -13.278 3.333 -4.112
293 HD1 TRP 19 HD1 TRP 19 -12.204 6.995 -3.943
294 HE1 TRP 19 HE1 TRP 19 -13.892 8.286 -2.502
295 HE3 TRP 19 3HE TRP 19 -14.994 3.077 -2.233
296 HZ2 TRP 19 HZ2 TRP 19 -16.109 7.737 -0.876
297 HZ3 TRP 19 HZ3 TRP 19 -16.884 3.550 -0.739
298 HH2 TRP 19 2HH TRP 19 -17.430 5.834 -0.076
299 HA PRO 20 HA PRO 20 -11.763 5.502 -1.366
300 HB2 PRO 20 HB2 PRO 20 -11.929 6.107 1.200
301 HB3 PRO 20 HB1 PRO 20 -13.350 5.530 0.319
302 HG2 PRO 20 HG2 PRO 20 -11.592 4.081 2.237
303 HG3 PRO 20 HG1 PRO 20 -13.345 3.966 2.010
304 HD2 PRO 20 HD2 PRO 20 -11.397 2.226 0.940
305 HD3 PRO 20 HD1 PRO 20 -13.104 2.304 0.469
306 H LEU 21 HN LEU 21 -9.550 3.270 -0.659
307 HA LEU 21 HA LEU 21 -7.621 4.583 0.971
308 HB2 LEU 21 HB2 LEU 21 -7.886 2.101 -0.009
309 HB3 LEU 21 HB1 LEU 21 -6.834 2.732 -1.244
310 HG LEU 21 HG LEU 21 -5.500 1.519 0.294
311 HD11 LEU 21 HD11 LEU 21 -5.110 4.422 0.889
312 HD12 LEU 21 HD12 LEU 21 -4.446 3.523 -0.476
313 HD13 LEU 21 HD13 LEU 21 -3.935 3.135 1.166
314 HD21 LEU 21 HD21 LEU 21 -5.411 1.983 2.685
315 HD22 LEU 21 HD22 LEU 21 -7.009 1.443 2.170
316 HD23 LEU 21 HD23 LEU 21 -6.718 3.150 2.503
317 H GLY 22 HN GLY 22 -8.131 4.259 -2.513
318 HA2 GLY 22 HA2 GLY 22 -7.792 5.711 -4.255
319 HA3 GLY 22 HA1 GLY 22 -7.517 6.978 -3.068
320 H HIS 23 HN HIS 23 -5.833 7.759 -4.455
321 HA HIS 23 HA HIS 23 -3.516 6.042 -4.632
322 HB2 HIS 23 HB2 HIS 23 -4.161 7.597 -6.538
323 HB3 HIS 23 HB1 HIS 23 -3.745 8.946 -5.489
324 HD1 HIS 23 HD1 HIS 23 -2.297 6.862 -8.054
325 HD2 HIS 23 HD2 HIS 23 -0.889 8.732 -4.629
326 HE1 HIS 23 HE1 HIS 23 0.198 6.977 -8.292
327 H GLN 24 HN GLN 24 -1.903 6.080 -3.245
328 HA GLN 24 HA GLN 24 -1.760 8.303 -1.362
329 HB2 GLN 24 HB2 GLN 24 -1.473 5.366 -0.754
330 HB3 GLN 24 HB1 GLN 24 -1.036 6.652 0.357
331 HG2 GLN 24 HG2 GLN 24 -3.792 6.157 -0.735
332 HG3 GLN 24 HG1 GLN 24 -3.229 5.665 0.856
333 HE21 GLN 24 1HE2 GLN 24 -5.414 7.382 0.169
334 HE22 GLN 24 2HE2 GLN 24 -5.128 8.916 0.913
335 H CYS 25 HN CYS 25 0.126 9.225 -1.489
336 HA CYS 25 HA CYS 25 2.264 7.634 -2.571
337 HB2 CYS 25 HB2 CYS 25 1.794 9.811 -3.713
338 HB3 CYS 25 HB1 CYS 25 2.186 10.648 -2.217
339 H PHE 26 HN PHE 26 4.323 7.614 -1.456
340 HA PHE 26 HA PHE 26 3.846 7.938 1.402
341 HB2 PHE 26 HB2 PHE 26 5.788 6.085 0.011
342 HB3 PHE 26 HB1 PHE 26 5.453 6.138 1.738
343 HD1 PHE 26 HD1 PHE 26 2.992 5.695 2.443
344 HD2 PHE 26 HD2 PHE 26 4.602 4.623 -1.347
345 HE1 PHE 26 HE1 PHE 26 1.183 4.055 2.139
346 HE2 PHE 26 HE2 PHE 26 2.797 2.984 -1.657
347 HZ PHE 26 HZ PHE 26 1.081 2.699 0.088
348 HA PRO 27 HA PRO 27 7.011 11.118 0.662
349 HB2 PRO 27 HB2 PRO 27 6.332 12.702 2.735
350 HB3 PRO 27 HB1 PRO 27 5.410 12.690 1.228
351 HG2 PRO 27 HG2 PRO 27 4.808 11.361 3.834
352 HG3 PRO 27 HG1 PRO 27 3.708 12.195 2.724
353 HD2 PRO 27 HD2 PRO 27 3.979 9.471 2.863
354 HD3 PRO 27 HD1 PRO 27 3.441 10.335 1.410
355 H ASP 28 HN ASP 28 6.478 8.981 3.169
356 HA ASP 28 HA ASP 28 9.107 9.574 4.382
357 HB2 ASP 28 HB2 ASP 28 6.625 8.416 5.657
358 HB3 ASP 28 HB1 ASP 28 8.203 8.421 6.426
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 -6.441 -7.531 4.078
2 HA2 GLY 1 HA2 GLY 1 -7.400 -5.760 2.918
3 HA3 GLY 1 HA1 GLY 1 -8.156 -5.213 4.420
4 H PHE 2 HN PHE 2 -7.193 -3.141 3.477
5 HA PHE 2 HA PHE 2 -4.614 -2.818 4.783
6 HB2 PHE 2 HB2 PHE 2 -4.057 -3.100 2.421
7 HB3 PHE 2 HB1 PHE 2 -5.201 -1.846 1.973
8 HD1 PHE 2 HD1 PHE 2 -4.365 0.257 1.557
9 HD2 PHE 2 HD2 PHE 2 -2.230 -2.320 4.187
10 HE1 PHE 2 HE1 PHE 2 -2.588 1.941 1.759
11 HE2 PHE 2 HE2 PHE 2 -0.449 -0.638 4.394
12 HZ PHE 2 HZ PHE 2 -0.626 1.495 3.177
13 H CYS 3 HN CYS 3 -4.558 -1.137 6.031
14 HA CYS 3 HA CYS 3 -6.610 0.906 5.735
15 HB2 CYS 3 HB2 CYS 3 -5.418 -0.319 8.218
16 HB3 CYS 3 HB1 CYS 3 -6.330 1.183 8.237
17 H TRP 4 HN TRP 4 -5.956 2.883 5.616
18 HA TRP 4 HA TRP 4 -3.371 3.712 6.536
19 HB2 TRP 4 HB2 TRP 4 -2.880 2.774 4.316
20 HB3 TRP 4 HB1 TRP 4 -4.099 3.811 3.600
21 HD1 TRP 4 HD1 TRP 4 -3.393 6.313 3.084
22 HE1 TRP 4 HE1 TRP 4 -1.132 7.559 3.169
23 HE3 TRP 4 3HE TRP 4 -0.640 2.876 5.685
24 HZ2 TRP 4 HZ2 TRP 4 1.435 7.154 4.192
25 HZ3 TRP 4 HZ3 TRP 4 1.720 3.392 6.169
26 HH2 TRP 4 2HH TRP 4 2.726 5.488 5.432
27 H HIS 5 HN HIS 5 -4.053 5.345 7.673
28 HA HIS 5 HA HIS 5 -4.983 7.212 8.371
29 HB2 HIS 5 HB2 HIS 5 -4.326 8.033 5.557
30 HB3 HIS 5 HB1 HIS 5 -4.867 9.176 6.786
31 HD1 HIS 5 HD1 HIS 5 -1.843 7.511 5.523
32 HD2 HIS 5 HD2 HIS 5 -3.078 9.331 9.047
33 HE1 HIS 5 HE1 HIS 5 0.245 7.948 6.854
34 H HIS 6 HN HIS 6 -6.904 5.852 8.512
35 HA HIS 6 HA HIS 6 -9.119 5.924 8.868
36 HB2 HIS 6 HB2 HIS 6 -9.111 8.561 7.383
37 HB3 HIS 6 HB1 HIS 6 -10.501 7.898 8.231
38 HD1 HIS 6 HD1 HIS 6 -10.525 8.189 10.828
39 HD2 HIS 6 HD2 HIS 6 -7.069 9.581 8.988
40 HE1 HIS 6 HE1 HIS 6 -9.291 9.511 12.571
41 H SER 7 HN SER 7 -7.750 5.247 6.111
42 HA SER 7 HA SER 7 -10.304 4.609 4.809
43 HB2 SER 7 HB2 SER 7 -7.623 5.102 3.501
44 HB3 SER 7 HB1 SER 7 -9.144 4.751 2.672
45 HG SER 7 HG SER 7 -9.964 6.695 3.499
46 H CYS 8 HN CYS 8 -10.677 2.478 4.503
47 HA CYS 8 HA CYS 8 -8.389 0.660 4.577
48 HB2 CYS 8 HB2 CYS 8 -11.004 0.285 6.044
49 HB3 CYS 8 HB1 CYS 8 -9.765 -0.950 5.868
50 H VAL 9 HN VAL 9 -8.452 -0.901 3.132
51 HA VAL 9 HA VAL 9 -10.884 -1.216 1.512
52 HB VAL 9 HB VAL 9 -9.389 -2.155 -0.292
53 HG11 VAL 9 HG11 VAL 9 -8.399 -0.001 -0.970
54 HG12 VAL 9 HG12 VAL 9 -8.742 0.623 0.648
55 HG13 VAL 9 3HG1 VAL 9 -10.067 0.152 -0.414
56 HG21 VAL 9 HG21 VAL 9 -6.962 -1.778 -0.146
57 HG22 VAL 9 HG22 VAL 9 -7.520 -2.878 1.117
58 HG23 VAL 9 HG23 VAL 9 -7.165 -1.195 1.507
59 HA PRO 10 HA PRO 10 -11.385 -5.222 3.145
60 HB2 PRO 10 HB2 PRO 10 -12.496 -6.616 1.121
61 HB3 PRO 10 HB1 PRO 10 -13.348 -5.314 1.962
62 HG2 PRO 10 HG2 PRO 10 -11.881 -5.236 -0.648
63 HG3 PRO 10 HG1 PRO 10 -13.471 -4.562 -0.244
64 HD2 PRO 10 HD2 PRO 10 -11.250 -3.037 -0.325
65 HD3 PRO 10 HD1 PRO 10 -12.568 -2.737 0.826
66 H SER 11 HN SER 11 -10.843 -7.446 3.109
67 HA SER 11 HA SER 11 -8.243 -8.112 2.439
68 HB2 SER 11 HB2 SER 11 -10.608 -9.926 2.930
69 HB3 SER 11 HB1 SER 11 -8.901 -10.351 3.087
70 HG SER 11 HG SER 11 -9.090 -9.720 5.014
71 H GLY 12 HN GLY 12 -7.369 -9.206 0.714
72 HA2 GLY 12 HA2 GLY 12 -7.616 -10.638 -1.190
73 HA3 GLY 12 HA1 GLY 12 -9.217 -9.949 -1.431
74 H THR 13 HN THR 13 -8.032 -7.237 -0.735
75 HA THR 13 HA THR 13 -7.537 -6.387 -3.359
76 HB THR 13 HB THR 13 -6.826 -4.994 -0.759
77 HG1 THR 13 HG1 THR 13 -8.944 -5.126 -0.593
78 HG21 THR 13 HG21 THR 13 -7.331 -3.895 -3.535
79 HG22 THR 13 HG22 THR 13 -5.762 -3.975 -2.734
80 HG23 THR 13 HG23 THR 13 -7.029 -2.928 -2.091
81 H CYS 14 HN CYS 14 -5.733 -6.486 -4.534
82 HA CYS 14 HA CYS 14 -3.181 -6.890 -3.156
83 HB2 CYS 14 HB2 CYS 14 -4.058 -7.935 -5.849
84 HB3 CYS 14 HB1 CYS 14 -2.474 -8.160 -5.132
85 H ALA 15 HN ALA 15 -1.560 -5.576 -3.777
86 HA ALA 15 HA ALA 15 -2.082 -3.737 -5.994
87 HB1 ALA 15 HB1 ALA 15 -1.073 -1.925 -4.676
88 HB2 ALA 15 HB2 ALA 15 -0.908 -3.024 -3.304
89 HB3 ALA 15 HB3 ALA 15 -2.511 -2.572 -3.880
90 H ASP 16 HN ASP 16 -0.293 -3.248 -7.216
91 HA ASP 16 HA ASP 16 2.019 -4.977 -6.742
92 HB2 ASP 16 HB2 ASP 16 0.930 -5.090 -8.966
93 HB3 ASP 16 HB1 ASP 16 1.301 -3.387 -9.215
94 H PHE 17 HN PHE 17 3.546 -4.090 -5.605
95 HA PHE 17 HA PHE 17 4.014 -1.219 -5.759
96 HB2 PHE 17 HB2 PHE 17 4.937 -3.347 -3.822
97 HB3 PHE 17 HB1 PHE 17 5.475 -1.676 -3.765
98 HD1 PHE 17 HD1 PHE 17 4.048 0.040 -2.952
99 HD2 PHE 17 HD2 PHE 17 2.695 -3.970 -3.199
100 HE1 PHE 17 HE1 PHE 17 2.134 0.607 -1.505
101 HE2 PHE 17 HE2 PHE 17 0.778 -3.424 -1.754
102 HZ PHE 17 HZ PHE 17 0.498 -1.135 -0.907
103 HA PRO 18 HA PRO 18 7.905 -1.847 -7.905
104 HB2 PRO 18 HB2 PRO 18 9.158 -0.013 -5.943
105 HB3 PRO 18 HB1 PRO 18 9.059 0.137 -7.700
106 HG2 PRO 18 HG2 PRO 18 7.592 1.696 -6.125
107 HG3 PRO 18 HG1 PRO 18 6.925 1.042 -7.632
108 HD2 PRO 18 HD2 PRO 18 6.492 0.120 -4.817
109 HD3 PRO 18 HD1 PRO 18 5.319 0.307 -6.138
110 H TRP 19 HN TRP 19 10.215 -2.378 -7.403
111 HA TRP 19 HA TRP 19 10.309 -4.555 -5.583
112 HB2 TRP 19 HB2 TRP 19 11.516 -4.251 -7.852
113 HB3 TRP 19 HB1 TRP 19 12.656 -3.243 -6.973
114 HD1 TRP 19 HD1 TRP 19 11.371 -6.873 -7.055
115 HE1 TRP 19 HE1 TRP 19 13.219 -8.409 -6.181
116 HE3 TRP 19 3HE TRP 19 14.751 -3.324 -5.688
117 HZ2 TRP 19 HZ2 TRP 19 15.807 -8.156 -5.061
118 HZ3 TRP 19 HZ3 TRP 19 16.903 -4.047 -4.725
119 HH2 TRP 19 2HH TRP 19 17.417 -6.414 -4.418
120 HA PRO 20 HA PRO 20 11.630 -5.609 -4.341
121 HB2 PRO 20 HB2 PRO 20 12.339 -6.305 -1.838
122 HB3 PRO 20 HB1 PRO 20 13.501 -5.761 -3.050
123 HG2 PRO 20 HG2 PRO 20 12.580 -4.392 -0.633
124 HG3 PRO 20 HG1 PRO 20 13.979 -4.037 -1.650
125 HD2 PRO 20 HD2 PRO 20 11.344 -2.781 -1.643
126 HD3 PRO 20 HD1 PRO 20 12.823 -2.262 -2.473
127 H LEU 21 HN LEU 21 9.268 -3.796 -3.238
128 HA LEU 21 HA LEU 21 8.056 -5.552 -1.317
129 HB2 LEU 21 HB2 LEU 21 6.923 -3.220 -2.839
130 HB3 LEU 21 HB1 LEU 21 5.971 -4.175 -1.722
131 HG LEU 21 HG LEU 21 8.375 -2.488 -1.040
132 HD11 LEU 21 HD11 LEU 21 6.789 -1.205 0.251
133 HD12 LEU 21 HD12 LEU 21 5.473 -2.217 -0.347
134 HD13 LEU 21 HD13 LEU 21 6.378 -1.186 -1.468
135 HD21 LEU 21 HD21 LEU 21 7.816 -3.059 1.286
136 HD22 LEU 21 HD22 LEU 21 8.368 -4.430 0.338
137 HD23 LEU 21 HD23 LEU 21 6.648 -4.241 0.684
138 H GLY 22 HN GLY 22 7.356 -4.811 -4.698
139 HA2 GLY 22 HA2 GLY 22 6.700 -6.313 -6.316
140 HA3 GLY 22 HA1 GLY 22 6.712 -7.579 -5.104
141 H HIS 23 HN HIS 23 4.772 -8.363 -5.928
142 HA HIS 23 HA HIS 23 2.408 -6.701 -5.882
143 HB2 HIS 23 HB2 HIS 23 2.928 -8.538 -7.599
144 HB3 HIS 23 HB1 HIS 23 2.614 -9.689 -6.311
145 HD1 HIS 23 HD1 HIS 23 0.997 -8.634 -9.141
146 HD2 HIS 23 HD2 HIS 23 -0.174 -8.741 -5.166
147 HE1 HIS 23 HE1 HIS 23 -1.510 -8.623 -9.161
148 H GLN 24 HN GLN 24 1.508 -6.326 -3.960
149 HA GLN 24 HA GLN 24 1.755 -8.412 -1.933
150 HB2 GLN 24 HB2 GLN 24 1.630 -5.428 -1.609
151 HB3 GLN 24 HB1 GLN 24 1.423 -6.547 -0.269
152 HG2 GLN 24 HG2 GLN 24 3.866 -6.359 -2.025
153 HG3 GLN 24 HG1 GLN 24 3.713 -5.688 -0.400
154 HE21 GLN 24 1HE2 GLN 24 5.564 -7.703 -1.413
155 HE22 GLN 24 2HE2 GLN 24 5.321 -9.105 -0.428
156 H CYS 25 HN CYS 25 0.054 -9.352 -1.308
157 HA CYS 25 HA CYS 25 -2.561 -8.188 -1.849
158 HB2 CYS 25 HB2 CYS 25 -1.691 -11.037 -1.352
159 HB3 CYS 25 HB1 CYS 25 -3.377 -10.534 -1.404
160 H PHE 26 HN PHE 26 -3.862 -7.652 -0.247
161 HA PHE 26 HA PHE 26 -2.732 -7.862 2.428
162 HB2 PHE 26 HB2 PHE 26 -4.932 -6.085 1.371
163 HB3 PHE 26 HB1 PHE 26 -4.242 -6.012 2.987
164 HD1 PHE 26 HD1 PHE 26 -1.769 -5.460 3.199
165 HD2 PHE 26 HD2 PHE 26 -3.968 -4.893 -0.399
166 HE1 PHE 26 HE1 PHE 26 -0.048 -3.900 2.395
167 HE2 PHE 26 HE2 PHE 26 -2.250 -3.333 -1.208
168 HZ PHE 26 HZ PHE 26 -0.285 -2.836 0.192
169 HA PRO 27 HA PRO 27 -5.889 -11.086 2.896
170 HB2 PRO 27 HB2 PRO 27 -4.880 -12.164 5.159
171 HB3 PRO 27 HB1 PRO 27 -4.180 -12.480 3.568
172 HG2 PRO 27 HG2 PRO 27 -3.272 -10.601 5.703
173 HG3 PRO 27 HG1 PRO 27 -2.306 -11.648 4.652
174 HD2 PRO 27 HD2 PRO 27 -2.637 -8.973 4.234
175 HD3 PRO 27 HD1 PRO 27 -2.320 -10.131 2.928
176 H ASP 28 HN ASP 28 -4.998 -8.661 5.167
177 HA ASP 28 HA ASP 28 -7.525 -9.049 6.644
178 HB2 ASP 28 HB2 ASP 28 -5.460 -9.068 8.006
179 HB3 ASP 28 HB1 ASP 28 -5.039 -7.476 7.397
180 H1 GLY 1 HN GLY 1 7.464 7.412 2.363
181 HA2 GLY 1 HA2 GLY 1 8.096 5.580 1.088
182 HA3 GLY 1 HA1 GLY 1 9.377 5.249 2.247
183 H PHE 2 HN PHE 2 7.648 3.314 1.123
184 HA PHE 2 HA PHE 2 5.885 2.709 3.383
185 HB2 PHE 2 HB2 PHE 2 4.701 3.013 1.226
186 HB3 PHE 2 HB1 PHE 2 5.629 1.682 0.551
187 HD1 PHE 2 HD1 PHE 2 4.657 -0.406 0.541
188 HD2 PHE 2 HD2 PHE 2 3.406 2.420 3.455
189 HE1 PHE 2 HE1 PHE 2 2.950 -1.985 1.334
190 HE2 PHE 2 HE2 PHE 2 1.697 0.847 4.256
191 HZ PHE 2 HZ PHE 2 1.466 -1.361 3.193
192 H CYS 3 HN CYS 3 6.637 1.280 4.661
193 HA CYS 3 HA CYS 3 8.461 -0.760 3.659
194 HB2 CYS 3 HB2 CYS 3 8.077 0.221 6.500
195 HB3 CYS 3 HB1 CYS 3 9.286 -0.922 5.943
196 H TRP 4 HN TRP 4 7.716 -2.756 3.641
197 HA TRP 4 HA TRP 4 5.491 -3.499 5.320
198 HB2 TRP 4 HB2 TRP 4 4.418 -2.630 3.340
199 HB3 TRP 4 HB1 TRP 4 5.461 -3.574 2.297
200 HD1 TRP 4 HD1 TRP 4 4.746 -6.069 1.835
201 HE1 TRP 4 HE1 TRP 4 2.651 -7.433 2.376
202 HE3 TRP 4 3HE TRP 4 2.585 -2.910 5.223
203 HZ2 TRP 4 HZ2 TRP 4 0.371 -7.217 4.033
204 HZ3 TRP 4 HZ3 TRP 4 0.444 -3.569 6.241
205 HH2 TRP 4 2HH TRP 4 -0.635 -5.680 5.655
206 H HIS 5 HN HIS 5 6.050 -5.263 6.205
207 HA HIS 5 HA HIS 5 7.126 -7.109 6.802
208 HB2 HIS 5 HB2 HIS 5 5.224 -7.929 5.426
209 HB3 HIS 5 HB1 HIS 5 6.323 -8.098 4.064
210 HD1 HIS 5 HD1 HIS 5 6.787 -10.555 3.797
211 HD2 HIS 5 HD2 HIS 5 6.662 -9.403 7.777
212 HE1 HIS 5 HE1 HIS 5 7.315 -12.623 5.142
213 H HIS 6 HN HIS 6 9.066 -5.709 6.609
214 HA HIS 6 HA HIS 6 11.289 -5.762 6.659
215 HB2 HIS 6 HB2 HIS 6 11.024 -8.540 5.502
216 HB3 HIS 6 HB1 HIS 6 12.555 -7.824 5.990
217 HD1 HIS 6 HD1 HIS 6 13.128 -7.911 8.503
218 HD2 HIS 6 HD2 HIS 6 9.235 -9.106 7.653
219 HE1 HIS 6 HE1 HIS 6 12.227 -8.915 10.619
220 H SER 7 HN SER 7 9.650 -5.210 4.008
221 HA SER 7 HA SER 7 12.090 -4.538 2.591
222 HB2 SER 7 HB2 SER 7 9.514 -5.624 1.447
223 HB3 SER 7 HB1 SER 7 10.816 -4.954 0.455
224 HG SER 7 HG SER 7 12.140 -6.529 1.643
225 H CYS 8 HN CYS 8 11.857 -2.483 1.388
226 HA CYS 8 HA CYS 8 9.447 -1.011 2.002
227 HB2 CYS 8 HB2 CYS 8 10.989 -0.824 3.983
228 HB3 CYS 8 HB1 CYS 8 12.153 -0.061 2.898
229 H VAL 9 HN VAL 9 9.236 0.795 0.796
230 HA VAL 9 HA VAL 9 11.153 1.124 -1.396
231 HB VAL 9 HB VAL 9 9.253 2.179 -2.713
232 HG11 VAL 9 HG11 VAL 9 9.942 -0.103 -3.166
233 HG12 VAL 9 HG12 VAL 9 8.192 0.047 -3.330
234 HG13 VAL 9 3HG1 VAL 9 8.885 -0.693 -1.887
235 HG21 VAL 9 HG21 VAL 9 7.762 2.724 -0.861
236 HG22 VAL 9 HG22 VAL 9 7.565 1.012 -0.497
237 HG23 VAL 9 HG23 VAL 9 6.938 1.666 -2.010
238 HA PRO 10 HA PRO 10 12.321 4.920 0.258
239 HB2 PRO 10 HB2 PRO 10 12.822 6.397 -1.997
240 HB3 PRO 10 HB1 PRO 10 13.893 5.145 -1.359
241 HG2 PRO 10 HG2 PRO 10 11.853 4.949 -3.542
242 HG3 PRO 10 HG1 PRO 10 13.506 4.307 -3.499
243 HD2 PRO 10 HD2 PRO 10 11.401 2.738 -3.052
244 HD3 PRO 10 HD1 PRO 10 12.908 2.533 -2.135
245 H SER 11 HN SER 11 11.966 7.236 0.345
246 HA SER 11 HA SER 11 9.264 7.921 0.577
247 HB2 SER 11 HB2 SER 11 11.708 9.702 0.499
248 HB3 SER 11 HB1 SER 11 10.118 10.145 1.119
249 HG SER 11 HG SER 11 11.395 7.863 2.157
250 H GLY 12 HN GLY 12 7.883 8.814 -0.831
251 HA2 GLY 12 HA2 GLY 12 7.358 10.285 -2.607
252 HA3 GLY 12 HA1 GLY 12 8.970 10.020 -3.260
253 H THR 13 HN THR 13 7.925 7.070 -2.290
254 HA THR 13 HA THR 13 7.220 6.311 -4.943
255 HB THR 13 HB THR 13 7.042 4.674 -2.393
256 HG1 THR 13 HG1 THR 13 9.152 5.107 -2.602
257 HG21 THR 13 HG21 THR 13 5.747 3.731 -4.266
258 HG22 THR 13 HG22 THR 13 7.172 2.745 -3.930
259 HG23 THR 13 HG23 THR 13 7.167 3.847 -5.305
260 H CYS 14 HN CYS 14 5.264 6.337 -5.777
261 HA CYS 14 HA CYS 14 3.018 6.886 -4.009
262 HB2 CYS 14 HB2 CYS 14 3.239 7.349 -6.982
263 HB3 CYS 14 HB1 CYS 14 1.964 7.919 -5.914
264 H ALA 15 HN ALA 15 1.095 5.658 -4.206
265 HA ALA 15 HA ALA 15 1.239 3.357 -5.991
266 HB1 ALA 15 HB1 ALA 15 2.029 2.631 -3.802
267 HB2 ALA 15 HB2 ALA 15 0.462 1.909 -4.180
268 HB3 ALA 15 HB3 ALA 15 0.562 3.265 -3.058
269 H ASP 16 HN ASP 16 -0.683 2.647 -6.705
270 HA ASP 16 HA ASP 16 -2.966 4.440 -6.293
271 HB2 ASP 16 HB2 ASP 16 -2.362 2.451 -8.490
272 HB3 ASP 16 HB1 ASP 16 -3.905 3.273 -8.330
273 H PHE 17 HN PHE 17 -4.370 3.763 -4.816
274 HA PHE 17 HA PHE 17 -4.858 0.881 -4.595
275 HB2 PHE 17 HB2 PHE 17 -5.186 3.110 -2.583
276 HB3 PHE 17 HB1 PHE 17 -5.731 1.465 -2.308
277 HD1 PHE 17 HD1 PHE 17 -4.037 -0.355 -2.206
278 HD2 PHE 17 HD2 PHE 17 -2.980 3.761 -2.214
279 HE1 PHE 17 HE1 PHE 17 -1.856 -0.926 -1.277
280 HE2 PHE 17 HE2 PHE 17 -0.791 3.212 -1.283
281 HZ PHE 17 HZ PHE 17 -0.209 0.865 -0.805
282 HA PRO 18 HA PRO 18 -9.009 1.784 -5.842
283 HB2 PRO 18 HB2 PRO 18 -10.467 -0.102 -4.547
284 HB3 PRO 18 HB1 PRO 18 -9.399 -0.493 -5.897
285 HG2 PRO 18 HG2 PRO 18 -8.984 -0.877 -2.979
286 HG3 PRO 18 HG1 PRO 18 -8.457 -1.887 -4.333
287 HD2 PRO 18 HD2 PRO 18 -6.868 -0.099 -2.946
288 HD3 PRO 18 HD1 PRO 18 -6.488 -0.719 -4.553
289 H TRP 19 HN TRP 19 -11.239 2.246 -4.966
290 HA TRP 19 HA TRP 19 -11.134 4.233 -2.957
291 HB2 TRP 19 HB2 TRP 19 -12.758 4.090 -4.915
292 HB3 TRP 19 HB1 TRP 19 -13.596 2.822 -4.036
293 HD1 TRP 19 HD1 TRP 19 -12.909 6.585 -3.928
294 HE1 TRP 19 HE1 TRP 19 -14.643 7.701 -2.420
295 HE3 TRP 19 3HE TRP 19 -15.216 2.395 -2.140
296 HZ2 TRP 19 HZ2 TRP 19 -16.751 6.913 -0.698
297 HZ3 TRP 19 HZ3 TRP 19 -17.074 2.659 -0.571
298 HH2 TRP 19 2HH TRP 19 -17.835 4.871 0.139
299 HA PRO 20 HA PRO 20 -12.200 5.167 -1.359
300 HB2 PRO 20 HB2 PRO 20 -12.437 5.749 1.198
301 HB3 PRO 20 HB1 PRO 20 -13.773 4.970 0.339
302 HG2 PRO 20 HG2 PRO 20 -11.787 3.778 2.225
303 HG3 PRO 20 HG1 PRO 20 -13.517 3.440 2.061
304 HD2 PRO 20 HD2 PRO 20 -11.420 1.940 0.924
305 HD3 PRO 20 HD1 PRO 20 -13.142 1.840 0.505
306 H LEU 21 HN LEU 21 -9.655 3.363 -1.008
307 HA LEU 21 HA LEU 21 -7.978 4.833 0.834
308 HB2 LEU 21 HB2 LEU 21 -7.903 2.314 -0.111
309 HB3 LEU 21 HB1 LEU 21 -6.901 3.068 -1.319
310 HG LEU 21 HG LEU 21 -5.451 2.080 0.248
311 HD11 LEU 21 HD11 LEU 21 -4.665 4.227 -0.444
312 HD12 LEU 21 HD12 LEU 21 -4.186 3.901 1.222
313 HD13 LEU 21 HD13 LEU 21 -5.522 5.002 0.888
314 HD21 LEU 21 HD21 LEU 21 -6.994 3.449 2.434
315 HD22 LEU 21 HD22 LEU 21 -5.530 2.488 2.654
316 HD23 LEU 21 HD23 LEU 21 -7.003 1.728 2.056
317 H GLY 22 HN GLY 22 -8.088 4.289 -2.677
318 HA2 GLY 22 HA2 GLY 22 -7.850 5.797 -4.418
319 HA3 GLY 22 HA1 GLY 22 -7.625 7.079 -3.237
320 H HIS 23 HN HIS 23 -5.970 7.752 -4.800
321 HA HIS 23 HA HIS 23 -3.563 6.173 -4.917
322 HB2 HIS 23 HB2 HIS 23 -4.254 7.595 -6.845
323 HB3 HIS 23 HB1 HIS 23 -4.073 9.023 -5.835
324 HD1 HIS 23 HD1 HIS 23 -2.156 6.669 -7.952
325 HD2 HIS 23 HD2 HIS 23 -1.355 9.684 -5.204
326 HE1 HIS 23 HE1 HIS 23 0.283 7.230 -8.214
327 H GLN 24 HN GLN 24 -1.991 6.259 -3.482
328 HA GLN 24 HA GLN 24 -1.780 8.617 -1.768
329 HB2 GLN 24 HB2 GLN 24 -1.706 5.731 -0.902
330 HB3 GLN 24 HB1 GLN 24 -1.040 7.030 0.075
331 HG2 GLN 24 HG2 GLN 24 -3.905 6.794 -0.812
332 HG3 GLN 24 HG1 GLN 24 -3.285 6.400 0.791
333 HE21 GLN 24 1HE2 GLN 24 -5.273 8.344 0.001
334 HE22 GLN 24 2HE2 GLN 24 -4.713 9.873 0.579
335 H CYS 25 HN CYS 25 0.243 9.310 -1.427
336 HA CYS 25 HA CYS 25 2.337 7.615 -2.501
337 HB2 CYS 25 HB2 CYS 25 1.776 9.633 -3.945
338 HB3 CYS 25 HB1 CYS 25 2.339 10.638 -2.613
339 H PHE 26 HN PHE 26 3.988 7.240 -1.231
340 HA PHE 26 HA PHE 26 3.546 7.926 1.546
341 HB2 PHE 26 HB2 PHE 26 5.492 5.982 0.307
342 HB3 PHE 26 HB1 PHE 26 5.061 6.074 2.008
343 HD1 PHE 26 HD1 PHE 26 2.661 5.587 2.655
344 HD2 PHE 26 HD2 PHE 26 4.234 4.695 -1.191
345 HE1 PHE 26 HE1 PHE 26 0.817 4.009 2.269
346 HE2 PHE 26 HE2 PHE 26 2.395 3.116 -1.583
347 HZ PHE 26 HZ PHE 26 0.680 2.772 0.151
348 HA PRO 27 HA PRO 27 6.854 10.993 1.050
349 HB2 PRO 27 HB2 PRO 27 6.407 12.308 3.368
350 HB3 PRO 27 HB1 PRO 27 5.395 12.541 1.939
351 HG2 PRO 27 HG2 PRO 27 4.887 10.872 4.366
352 HG3 PRO 27 HG1 PRO 27 3.768 11.918 3.478
353 HD2 PRO 27 HD2 PRO 27 3.829 9.220 3.185
354 HD3 PRO 27 HD1 PRO 27 3.346 10.322 1.885
355 H ASP 28 HN ASP 28 6.394 8.700 3.602
356 HA ASP 28 HA ASP 28 9.189 9.094 4.453
357 HB2 ASP 28 HB2 ASP 28 7.470 9.323 6.259
358 HB3 ASP 28 HB1 ASP 28 6.935 7.684 5.932
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 -6.111 -7.898 4.458
2 HA2 GLY 1 HA2 GLY 1 -7.117 -6.051 3.475
3 HA3 GLY 1 HA1 GLY 1 -7.838 -5.650 5.035
4 H PHE 2 HN PHE 2 -6.956 -3.513 4.027
5 HA PHE 2 HA PHE 2 -4.505 -2.943 5.452
6 HB2 PHE 2 HB2 PHE 2 -3.709 -3.520 3.209
7 HB3 PHE 2 HB1 PHE 2 -4.869 -2.416 2.490
8 HD1 PHE 2 HD1 PHE 2 -4.143 -0.329 1.869
9 HD2 PHE 2 HD2 PHE 2 -2.043 -2.415 4.922
10 HE1 PHE 2 HE1 PHE 2 -2.473 1.467 1.939
11 HE2 PHE 2 HE2 PHE 2 -0.366 -0.619 4.997
12 HZ PHE 2 HZ PHE 2 -0.583 1.325 3.501
13 H CYS 3 HN CYS 3 -4.472 -0.763 6.120
14 HA CYS 3 HA CYS 3 -6.535 0.942 5.040
15 HB2 CYS 3 HB2 CYS 3 -7.457 -0.204 7.080
16 HB3 CYS 3 HB1 CYS 3 -6.168 0.533 8.023
17 H TRP 4 HN TRP 4 -5.920 3.018 4.874
18 HA TRP 4 HA TRP 4 -3.641 4.092 6.254
19 HB2 TRP 4 HB2 TRP 4 -2.687 2.704 4.322
20 HB3 TRP 4 HB1 TRP 4 -3.552 3.777 3.234
21 HD1 TRP 4 HD1 TRP 4 -2.617 6.332 3.061
22 HE1 TRP 4 HE1 TRP 4 -0.297 7.310 3.520
23 HE3 TRP 4 3HE TRP 4 -0.643 2.455 5.729
24 HZ2 TRP 4 HZ2 TRP 4 2.088 6.528 4.840
25 HZ3 TRP 4 HZ3 TRP 4 1.663 2.641 6.545
26 HH2 TRP 4 2HH TRP 4 3.005 4.634 6.109
27 H HIS 5 HN HIS 5 -3.785 6.353 6.144
28 HA HIS 5 HA HIS 5 -4.639 8.427 5.812
29 HB2 HIS 5 HB2 HIS 5 -4.019 7.831 3.400
30 HB3 HIS 5 HB1 HIS 5 -5.703 7.397 3.158
31 HD1 HIS 5 HD1 HIS 5 -7.097 9.283 2.196
32 HD2 HIS 5 HD2 HIS 5 -3.758 10.644 4.263
33 HE1 HIS 5 HE1 HIS 5 -7.015 11.768 1.825
34 H HIS 6 HN HIS 6 -6.155 6.307 7.046
35 HA HIS 6 HA HIS 6 -8.083 6.001 8.162
36 HB2 HIS 6 HB2 HIS 6 -8.977 8.640 6.950
37 HB3 HIS 6 HB1 HIS 6 -9.852 7.777 8.202
38 HD1 HIS 6 HD1 HIS 6 -9.329 8.589 10.556
39 HD2 HIS 6 HD2 HIS 6 -6.275 9.426 7.861
40 HE1 HIS 6 HE1 HIS 6 -7.659 9.999 11.798
41 H SER 7 HN SER 7 -7.675 5.520 5.126
42 HA SER 7 HA SER 7 -10.431 4.797 4.492
43 HB2 SER 7 HB2 SER 7 -7.994 5.007 2.717
44 HB3 SER 7 HB1 SER 7 -9.664 4.780 2.191
45 HG SER 7 HG SER 7 -9.728 6.892 3.682
46 H CYS 8 HN CYS 8 -10.850 2.607 4.563
47 HA CYS 8 HA CYS 8 -8.501 0.862 4.791
48 HB2 CYS 8 HB2 CYS 8 -11.228 0.405 6.011
49 HB3 CYS 8 HB1 CYS 8 -9.803 -0.591 6.240
50 H VAL 9 HN VAL 9 -8.448 -1.024 3.619
51 HA VAL 9 HA VAL 9 -10.713 -1.561 1.856
52 HB VAL 9 HB VAL 9 -9.095 -2.629 0.248
53 HG11 VAL 9 HG11 VAL 9 -8.635 0.286 0.806
54 HG12 VAL 9 HG12 VAL 9 -9.889 -0.415 -0.220
55 HG13 VAL 9 3HG1 VAL 9 -8.193 -0.544 -0.685
56 HG21 VAL 9 HG21 VAL 9 -6.988 -1.341 1.985
57 HG22 VAL 9 HG22 VAL 9 -6.698 -2.077 0.410
58 HG23 VAL 9 HG23 VAL 9 -7.240 -3.071 1.763
59 HA PRO 10 HA PRO 10 -11.177 -5.355 3.921
60 HB2 PRO 10 HB2 PRO 10 -12.374 -6.855 2.035
61 HB3 PRO 10 HB1 PRO 10 -13.179 -5.483 2.806
62 HG2 PRO 10 HG2 PRO 10 -11.782 -5.609 0.158
63 HG3 PRO 10 HG1 PRO 10 -13.351 -4.886 0.561
64 HD2 PRO 10 HD2 PRO 10 -11.114 -3.409 0.314
65 HD3 PRO 10 HD1 PRO 10 -12.392 -3.002 1.476
66 H SER 11 HN SER 11 -10.774 -7.653 3.889
67 HA SER 11 HA SER 11 -8.166 -8.369 3.235
68 HB2 SER 11 HB2 SER 11 -10.577 -10.057 3.878
69 HB3 SER 11 HB1 SER 11 -8.906 -10.624 3.893
70 HG SER 11 HG SER 11 -8.769 -9.909 5.770
71 H GLY 12 HN GLY 12 -7.311 -9.174 1.429
72 HA2 GLY 12 HA2 GLY 12 -7.449 -10.717 -0.411
73 HA3 GLY 12 HA1 GLY 12 -9.136 -10.256 -0.605
74 H THR 13 HN THR 13 -7.985 -7.416 0.012
75 HA THR 13 HA THR 13 -7.913 -6.562 -2.663
76 HB THR 13 HB THR 13 -6.898 -5.109 -0.201
77 HG1 THR 13 HG1 THR 13 -8.977 -5.379 0.251
78 HG21 THR 13 HG21 THR 13 -7.847 -4.070 -2.881
79 HG22 THR 13 HG22 THR 13 -6.175 -4.081 -2.320
80 HG23 THR 13 HG23 THR 13 -7.374 -3.075 -1.505
81 H CYS 14 HN CYS 14 -6.323 -6.801 -4.069
82 HA CYS 14 HA CYS 14 -3.570 -6.981 -3.103
83 HB2 CYS 14 HB2 CYS 14 -4.740 -7.832 -5.754
84 HB3 CYS 14 HB1 CYS 14 -3.075 -8.039 -5.231
85 H ALA 15 HN ALA 15 -2.122 -5.540 -3.756
86 HA ALA 15 HA ALA 15 -2.823 -3.626 -5.845
87 HB1 ALA 15 HB1 ALA 15 -2.055 -1.758 -4.450
88 HB2 ALA 15 HB2 ALA 15 -1.823 -2.859 -3.094
89 HB3 ALA 15 HB3 ALA 15 -3.446 -2.554 -3.714
90 H ASP 16 HN ASP 16 -1.082 -3.043 -7.037
91 HA ASP 16 HA ASP 16 1.338 -4.445 -6.292
92 HB2 ASP 16 HB2 ASP 16 2.143 -4.180 -8.598
93 HB3 ASP 16 HB1 ASP 16 0.588 -4.990 -8.542
94 H PHE 17 HN PHE 17 3.157 -3.633 -5.853
95 HA PHE 17 HA PHE 17 3.425 -0.716 -5.810
96 HB2 PHE 17 HB2 PHE 17 4.559 -2.866 -4.008
97 HB3 PHE 17 HB1 PHE 17 5.003 -1.172 -3.926
98 HD1 PHE 17 HD1 PHE 17 3.670 0.373 -2.796
99 HD2 PHE 17 HD2 PHE 17 2.247 -3.589 -3.409
100 HE1 PHE 17 HE1 PHE 17 1.893 0.769 -1.185
101 HE2 PHE 17 HE2 PHE 17 0.457 -3.201 -1.791
102 HZ PHE 17 HZ PHE 17 0.273 -1.020 -0.667
103 HA PRO 18 HA PRO 18 7.162 -1.418 -8.197
104 HB2 PRO 18 HB2 PRO 18 8.694 0.369 -6.416
105 HB3 PRO 18 HB1 PRO 18 8.325 0.560 -8.132
106 HG2 PRO 18 HG2 PRO 18 7.159 2.099 -6.269
107 HG3 PRO 18 HG1 PRO 18 6.286 1.567 -7.718
108 HD2 PRO 18 HD2 PRO 18 6.156 0.486 -4.926
109 HD3 PRO 18 HD1 PRO 18 4.839 0.790 -6.072
110 H TRP 19 HN TRP 19 9.415 -2.141 -7.976
111 HA TRP 19 HA TRP 19 9.797 -4.254 -6.157
112 HB2 TRP 19 HB2 TRP 19 10.833 -4.023 -8.442
113 HB3 TRP 19 HB1 TRP 19 11.853 -2.741 -7.818
114 HD1 TRP 19 HD1 TRP 19 11.491 -6.515 -7.912
115 HE1 TRP 19 HE1 TRP 19 13.633 -7.591 -6.964
116 HE3 TRP 19 3HE TRP 19 13.811 -2.324 -6.122
117 HZ2 TRP 19 HZ2 TRP 19 15.968 -6.791 -5.646
118 HZ3 TRP 19 HZ3 TRP 19 15.995 -2.573 -5.032
119 HH2 TRP 19 2HH TRP 19 17.050 -4.765 -4.802
120 HA PRO 20 HA PRO 20 11.193 -5.276 -4.981
121 HB2 PRO 20 HB2 PRO 20 12.188 -6.000 -2.646
122 HB3 PRO 20 HB1 PRO 20 13.217 -5.247 -3.871
123 HG2 PRO 20 HG2 PRO 20 12.154 -4.119 -1.345
124 HG3 PRO 20 HG1 PRO 20 13.633 -3.710 -2.225
125 HD2 PRO 20 HD2 PRO 20 11.102 -2.351 -2.300
126 HD3 PRO 20 HD1 PRO 20 12.572 -1.965 -3.215
127 H LEU 21 HN LEU 21 8.981 -3.472 -3.676
128 HA LEU 21 HA LEU 21 8.001 -5.290 -1.668
129 HB2 LEU 21 HB2 LEU 21 7.749 -2.861 -1.366
130 HB3 LEU 21 HB1 LEU 21 6.766 -2.778 -2.810
131 HG LEU 21 HG LEU 21 4.963 -3.964 -1.728
132 HD11 LEU 21 HD11 LEU 21 5.106 -4.721 0.565
133 HD12 LEU 21 HD12 LEU 21 6.765 -4.150 0.687
134 HD13 LEU 21 HD13 LEU 21 6.371 -5.506 -0.376
135 HD21 LEU 21 HD21 LEU 21 4.449 -2.406 0.060
136 HD22 LEU 21 HD22 LEU 21 5.120 -1.572 -1.341
137 HD23 LEU 21 HD23 LEU 21 6.124 -1.860 0.083
138 H GLY 22 HN GLY 22 7.006 -4.147 -4.857
139 HA2 GLY 22 HA2 GLY 22 6.084 -5.307 -6.583
140 HA3 GLY 22 HA1 GLY 22 6.319 -6.778 -5.653
141 H HIS 23 HN HIS 23 4.354 -7.531 -6.432
142 HA HIS 23 HA HIS 23 1.929 -6.088 -5.900
143 HB2 HIS 23 HB2 HIS 23 2.380 -7.619 -7.915
144 HB3 HIS 23 HB1 HIS 23 2.149 -8.954 -6.794
145 HD1 HIS 23 HD1 HIS 23 0.336 -7.043 -9.174
146 HD2 HIS 23 HD2 HIS 23 -0.540 -8.638 -5.452
147 HE1 HIS 23 HE1 HIS 23 -2.176 -7.133 -9.030
148 H GLN 24 HN GLN 24 1.009 -6.052 -4.014
149 HA GLN 24 HA GLN 24 1.476 -8.293 -2.191
150 HB2 GLN 24 HB2 GLN 24 1.100 -5.362 -1.619
151 HB3 GLN 24 HB1 GLN 24 1.037 -6.607 -0.381
152 HG2 GLN 24 HG2 GLN 24 3.397 -6.043 -2.159
153 HG3 GLN 24 HG1 GLN 24 3.216 -5.496 -0.491
154 HE21 GLN 24 1HE2 GLN 24 5.216 -7.257 -1.709
155 HE22 GLN 24 2HE2 GLN 24 5.162 -8.724 -0.814
156 H CYS 25 HN CYS 25 -0.208 -9.356 -1.518
157 HA CYS 25 HA CYS 25 -2.863 -8.194 -1.836
158 HB2 CYS 25 HB2 CYS 25 -1.982 -11.080 -1.564
159 HB3 CYS 25 HB1 CYS 25 -3.660 -10.544 -1.552
160 H PHE 26 HN PHE 26 -3.934 -7.679 -0.093
161 HA PHE 26 HA PHE 26 -2.564 -8.102 2.442
162 HB2 PHE 26 HB2 PHE 26 -4.891 -6.289 1.784
163 HB3 PHE 26 HB1 PHE 26 -3.984 -6.304 3.290
164 HD1 PHE 26 HD1 PHE 26 -1.489 -5.746 3.164
165 HD2 PHE 26 HD2 PHE 26 -4.219 -4.935 0.006
166 HE1 PHE 26 HE1 PHE 26 0.078 -4.094 2.239
167 HE2 PHE 26 HE2 PHE 26 -2.657 -3.283 -0.928
168 HZ PHE 26 HZ PHE 26 -0.503 -2.862 0.191
169 HA PRO 27 HA PRO 27 -5.645 -11.377 3.019
170 HB2 PRO 27 HB2 PRO 27 -4.478 -12.492 5.194
171 HB3 PRO 27 HB1 PRO 27 -3.925 -12.807 3.548
172 HG2 PRO 27 HG2 PRO 27 -2.808 -10.972 5.616
173 HG3 PRO 27 HG1 PRO 27 -1.952 -12.003 4.458
174 HD2 PRO 27 HD2 PRO 27 -2.279 -9.319 4.127
175 HD3 PRO 27 HD1 PRO 27 -2.128 -10.450 2.770
176 H ASP 28 HN ASP 28 -4.534 -9.125 5.452
177 HA ASP 28 HA ASP 28 -7.038 -9.547 6.943
178 HB2 ASP 28 HB2 ASP 28 -4.541 -8.047 7.775
179 HB3 ASP 28 HB1 ASP 28 -5.997 -8.208 8.739
180 H1 GLY 1 HN GLY 1 7.329 7.685 2.743
181 HA2 GLY 1 HA2 GLY 1 8.457 5.826 1.758
182 HA3 GLY 1 HA1 GLY 1 9.347 5.621 3.267
183 H PHE 2 HN PHE 2 8.005 3.498 2.044
184 HA PHE 2 HA PHE 2 5.948 2.948 4.044
185 HB2 PHE 2 HB2 PHE 2 4.761 3.607 1.982
186 HB3 PHE 2 HB1 PHE 2 5.668 2.408 1.074
187 HD1 PHE 2 HD1 PHE 2 4.844 0.227 0.860
188 HD2 PHE 2 HD2 PHE 2 3.250 2.779 3.861
189 HE1 PHE 2 HE1 PHE 2 3.102 -1.442 1.353
190 HE2 PHE 2 HE2 PHE 2 1.514 1.114 4.355
191 HZ PHE 2 HZ PHE 2 1.440 -0.997 3.100
192 H CYS 3 HN CYS 3 5.913 0.753 4.662
193 HA CYS 3 HA CYS 3 7.663 -1.030 3.234
194 HB2 CYS 3 HB2 CYS 3 9.065 0.148 4.902
195 HB3 CYS 3 HB1 CYS 3 8.009 -0.444 6.179
196 H TRP 4 HN TRP 4 6.989 -3.063 3.319
197 HA TRP 4 HA TRP 4 5.114 -3.981 5.308
198 HB2 TRP 4 HB2 TRP 4 3.718 -2.919 3.489
199 HB3 TRP 4 HB1 TRP 4 4.450 -4.018 2.335
200 HD1 TRP 4 HD1 TRP 4 3.712 -6.658 2.555
201 HE1 TRP 4 HE1 TRP 4 1.586 -7.725 3.517
202 HE3 TRP 4 3HE TRP 4 1.956 -2.668 5.220
203 HZ2 TRP 4 HZ2 TRP 4 -0.576 -6.963 5.178
204 HZ3 TRP 4 HZ3 TRP 4 -0.154 -2.918 6.461
205 HH2 TRP 4 2HH TRP 4 -1.391 -5.018 6.437
206 H HIS 5 HN HIS 5 5.438 -6.143 5.594
207 HA HIS 5 HA HIS 5 6.342 -8.221 5.492
208 HB2 HIS 5 HB2 HIS 5 5.065 -8.247 3.309
209 HB3 HIS 5 HB1 HIS 5 6.531 -7.736 2.490
210 HD1 HIS 5 HD1 HIS 5 7.455 -9.722 1.260
211 HD2 HIS 5 HD2 HIS 5 5.849 -10.756 4.942
212 HE1 HIS 5 HE1 HIS 5 7.797 -12.204 1.493
213 H HIS 6 HN HIS 6 7.990 -5.796 5.691
214 HA HIS 6 HA HIS 6 10.075 -5.214 6.147
215 HB2 HIS 6 HB2 HIS 6 10.882 -8.053 5.453
216 HB3 HIS 6 HB1 HIS 6 11.974 -6.826 6.086
217 HD1 HIS 6 HD1 HIS 6 11.871 -6.353 8.628
218 HD2 HIS 6 HD2 HIS 6 9.017 -9.046 7.276
219 HE1 HIS 6 HE1 HIS 6 10.869 -7.394 10.686
220 H SER 7 HN SER 7 8.912 -5.510 3.277
221 HA SER 7 HA SER 7 11.367 -4.728 1.926
222 HB2 SER 7 HB2 SER 7 8.567 -5.174 0.844
223 HB3 SER 7 HB1 SER 7 10.022 -4.900 -0.120
224 HG SER 7 HG SER 7 10.696 -6.835 1.358
225 H CYS 8 HN CYS 8 11.809 -2.641 2.153
226 HA CYS 8 HA CYS 8 9.576 -0.800 2.669
227 HB2 CYS 8 HB2 CYS 8 12.481 -0.402 3.347
228 HB3 CYS 8 HB1 CYS 8 11.128 0.575 3.888
229 H VAL 9 HN VAL 9 9.108 0.538 1.060
230 HA VAL 9 HA VAL 9 11.092 0.970 -0.994
231 HB VAL 9 HB VAL 9 9.250 2.166 -2.257
232 HG11 VAL 9 HG11 VAL 9 8.669 -0.668 -1.404
233 HG12 VAL 9 HG12 VAL 9 9.744 -0.168 -2.709
234 HG13 VAL 9 3HG1 VAL 9 8.010 0.122 -2.836
235 HG21 VAL 9 HG21 VAL 9 7.842 2.820 -0.351
236 HG22 VAL 9 HG22 VAL 9 7.498 1.119 -0.023
237 HG23 VAL 9 HG23 VAL 9 6.925 1.860 -1.514
238 HA PRO 10 HA PRO 10 12.777 4.651 0.711
239 HB2 PRO 10 HB2 PRO 10 12.770 5.560 -2.124
240 HB3 PRO 10 HB1 PRO 10 14.086 5.571 -0.947
241 HG2 PRO 10 HG2 PRO 10 13.993 3.732 -2.861
242 HG3 PRO 10 HG1 PRO 10 14.532 3.316 -1.227
243 HD2 PRO 10 HD2 PRO 10 11.963 2.698 -2.588
244 HD3 PRO 10 HD1 PRO 10 12.866 1.772 -1.368
245 H SER 11 HN SER 11 12.251 6.717 1.254
246 HA SER 11 HA SER 11 9.643 7.598 1.268
247 HB2 SER 11 HB2 SER 11 12.083 9.361 1.391
248 HB3 SER 11 HB1 SER 11 10.550 9.564 2.233
249 HG SER 11 HG SER 11 11.025 7.679 3.451
250 H GLY 12 HN GLY 12 8.415 8.678 -0.226
251 HA2 GLY 12 HA2 GLY 12 8.298 10.474 -1.847
252 HA3 GLY 12 HA1 GLY 12 9.815 9.884 -2.511
253 H THR 13 HN THR 13 8.664 7.094 -1.934
254 HA THR 13 HA THR 13 7.789 6.608 -4.561
255 HB THR 13 HB THR 13 7.652 4.803 -2.130
256 HG1 THR 13 HG1 THR 13 9.765 5.319 -2.584
257 HG21 THR 13 HG21 THR 13 7.551 2.953 -3.760
258 HG22 THR 13 HG22 THR 13 7.499 4.120 -5.080
259 HG23 THR 13 HG23 THR 13 6.160 4.026 -3.936
260 H CYS 14 HN CYS 14 5.881 6.754 -5.418
261 HA CYS 14 HA CYS 14 3.585 7.086 -3.674
262 HB2 CYS 14 HB2 CYS 14 3.866 7.655 -6.630
263 HB3 CYS 14 HB1 CYS 14 2.471 8.049 -5.636
264 H ALA 15 HN ALA 15 1.686 5.735 -3.980
265 HA ALA 15 HA ALA 15 2.097 3.500 -5.804
266 HB1 ALA 15 HB1 ALA 15 1.313 1.933 -4.128
267 HB2 ALA 15 HB2 ALA 15 1.146 3.243 -2.962
268 HB3 ALA 15 HB3 ALA 15 2.746 2.785 -3.552
269 H ASP 16 HN ASP 16 0.232 2.485 -6.481
270 HA ASP 16 HA ASP 16 -2.144 4.195 -6.456
271 HB2 ASP 16 HB2 ASP 16 -1.220 3.656 -8.659
272 HB3 ASP 16 HB1 ASP 16 -1.309 1.940 -8.293
273 H PHE 17 HN PHE 17 -4.004 3.492 -5.480
274 HA PHE 17 HA PHE 17 -4.198 0.656 -4.782
275 HB2 PHE 17 HB2 PHE 17 -4.872 3.061 -3.074
276 HB3 PHE 17 HB1 PHE 17 -5.389 1.428 -2.709
277 HD1 PHE 17 HD1 PHE 17 -3.848 -0.199 -1.908
278 HD2 PHE 17 HD2 PHE 17 -2.604 3.772 -2.756
279 HE1 PHE 17 HE1 PHE 17 -1.839 -0.571 -0.605
280 HE2 PHE 17 HE2 PHE 17 -0.564 3.420 -1.449
281 HZ PHE 17 HZ PHE 17 -0.170 1.243 -0.358
282 HA PRO 18 HA PRO 18 -8.368 1.312 -6.326
283 HB2 PRO 18 HB2 PRO 18 -9.751 -0.621 -5.098
284 HB3 PRO 18 HB1 PRO 18 -8.496 -1.028 -6.275
285 HG2 PRO 18 HG2 PRO 18 -8.393 -1.078 -3.292
286 HG3 PRO 18 HG1 PRO 18 -7.724 -2.238 -4.448
287 HD2 PRO 18 HD2 PRO 18 -6.299 -0.259 -3.185
288 HD3 PRO 18 HD1 PRO 18 -5.781 -1.017 -4.691
289 H TRP 19 HN TRP 19 -10.642 1.689 -5.496
290 HA TRP 19 HA TRP 19 -10.674 3.602 -3.392
291 HB2 TRP 19 HB2 TRP 19 -12.221 3.540 -5.396
292 HB3 TRP 19 HB1 TRP 19 -13.002 2.136 -4.689
293 HD1 TRP 19 HD1 TRP 19 -12.657 5.923 -4.241
294 HE1 TRP 19 HE1 TRP 19 -14.584 6.756 -2.753
295 HE3 TRP 19 3HE TRP 19 -14.646 1.426 -2.875
296 HZ2 TRP 19 HZ2 TRP 19 -16.676 5.664 -1.225
297 HZ3 TRP 19 HZ3 TRP 19 -16.611 1.402 -1.401
298 HH2 TRP 19 2HH TRP 19 -17.605 3.481 -0.590
299 HA PRO 20 HA PRO 20 -11.955 4.331 -1.799
300 HB2 PRO 20 HB2 PRO 20 -12.089 4.400 1.014
301 HB3 PRO 20 HB1 PRO 20 -13.447 4.405 -0.108
302 HG2 PRO 20 HG2 PRO 20 -12.823 2.345 1.690
303 HG3 PRO 20 HG1 PRO 20 -13.915 2.217 0.303
304 HD2 PRO 20 HD2 PRO 20 -11.043 1.424 0.541
305 HD3 PRO 20 HD1 PRO 20 -12.374 0.607 -0.311
306 H LEU 21 HN LEU 21 -9.348 2.546 -1.175
307 HA LEU 21 HA LEU 21 -7.820 4.064 0.695
308 HB2 LEU 21 HB2 LEU 21 -7.539 1.638 -0.481
309 HB3 LEU 21 HB1 LEU 21 -6.504 2.583 -1.519
310 HG LEU 21 HG LEU 21 -5.139 1.485 0.091
311 HD11 LEU 21 HD11 LEU 21 -5.374 4.356 0.903
312 HD12 LEU 21 HD12 LEU 21 -4.420 3.709 -0.431
313 HD13 LEU 21 HD13 LEU 21 -4.010 3.283 1.229
314 HD21 LEU 21 HD21 LEU 21 -6.792 0.982 1.767
315 HD22 LEU 21 HD22 LEU 21 -6.885 2.683 2.224
316 HD23 LEU 21 HD23 LEU 21 -5.401 1.774 2.502
317 H GLY 22 HN GLY 22 -7.879 3.878 -2.850
318 HA2 GLY 22 HA2 GLY 22 -7.860 5.616 -4.382
319 HA3 GLY 22 HA1 GLY 22 -7.546 6.746 -3.072
320 H HIS 23 HN HIS 23 -5.927 7.798 -4.180
321 HA HIS 23 HA HIS 23 -3.574 6.199 -4.810
322 HB2 HIS 23 HB2 HIS 23 -2.726 8.231 -6.014
323 HB3 HIS 23 HB1 HIS 23 -4.238 7.636 -6.668
324 HD1 HIS 23 HD1 HIS 23 -2.658 10.698 -5.318
325 HD2 HIS 23 HD2 HIS 23 -6.507 9.284 -5.979
326 HE1 HIS 23 HE1 HIS 23 -4.166 12.709 -5.264
327 H GLN 24 HN GLN 24 -1.938 6.142 -3.421
328 HA GLN 24 HA GLN 24 -1.750 8.336 -1.501
329 HB2 GLN 24 HB2 GLN 24 -1.414 5.397 -0.897
330 HB3 GLN 24 HB1 GLN 24 -1.037 6.702 0.218
331 HG2 GLN 24 HG2 GLN 24 -3.748 6.040 -0.903
332 HG3 GLN 24 HG1 GLN 24 -3.181 5.706 0.731
333 HE21 GLN 24 1HE2 GLN 24 -5.437 7.269 -0.199
334 HE22 GLN 24 2HE2 GLN 24 -5.230 8.857 0.438
335 H CYS 25 HN CYS 25 0.174 9.183 -1.338
336 HA CYS 25 HA CYS 25 2.343 7.623 -2.440
337 HB2 CYS 25 HB2 CYS 25 1.859 9.632 -3.810
338 HB3 CYS 25 HB1 CYS 25 2.112 10.650 -2.398
339 H PHE 26 HN PHE 26 4.337 7.663 -1.263
340 HA PHE 26 HA PHE 26 3.787 8.264 1.550
341 HB2 PHE 26 HB2 PHE 26 5.629 6.151 0.440
342 HB3 PHE 26 HB1 PHE 26 5.135 6.355 2.117
343 HD1 PHE 26 HD1 PHE 26 2.627 6.102 2.623
344 HD2 PHE 26 HD2 PHE 26 4.445 4.758 -0.975
345 HE1 PHE 26 HE1 PHE 26 0.734 4.585 2.232
346 HE2 PHE 26 HE2 PHE 26 2.559 3.240 -1.366
347 HZ PHE 26 HZ PHE 26 0.696 3.155 0.241
348 HA PRO 27 HA PRO 27 7.348 11.031 0.545
349 HB2 PRO 27 HB2 PRO 27 6.313 12.497 2.887
350 HB3 PRO 27 HB1 PRO 27 6.614 13.082 1.247
351 HG2 PRO 27 HG2 PRO 27 4.116 12.770 2.135
352 HG3 PRO 27 HG1 PRO 27 4.554 12.361 0.468
353 HD2 PRO 27 HD2 PRO 27 4.223 10.550 2.825
354 HD3 PRO 27 HD1 PRO 27 3.581 10.374 1.175
355 H ASP 28 HN ASP 28 6.317 9.450 3.442
356 HA ASP 28 HA ASP 28 8.898 9.869 4.772
357 HB2 ASP 28 HB2 ASP 28 6.810 10.033 6.104
358 HB3 ASP 28 HB1 ASP 28 6.433 8.371 5.695
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 -6.156 -7.630 4.377
2 HA2 GLY 1 HA2 GLY 1 -7.159 -5.753 3.412
3 HA3 GLY 1 HA1 GLY 1 -7.925 -5.397 4.957
4 H PHE 2 HN PHE 2 -6.954 -3.287 3.899
5 HA PHE 2 HA PHE 2 -4.513 -2.784 5.398
6 HB2 PHE 2 HB2 PHE 2 -3.811 -3.272 3.088
7 HB3 PHE 2 HB1 PHE 2 -4.920 -2.056 2.485
8 HD1 PHE 2 HD1 PHE 2 -4.108 0.054 2.045
9 HD2 PHE 2 HD2 PHE 2 -2.030 -2.429 4.801
10 HE1 PHE 2 HE1 PHE 2 -2.319 1.728 2.199
11 HE2 PHE 2 HE2 PHE 2 -0.239 -0.757 4.962
12 HZ PHE 2 HZ PHE 2 -0.383 1.324 3.657
13 H CYS 3 HN CYS 3 -4.510 -0.791 6.306
14 HA CYS 3 HA CYS 3 -6.668 1.035 5.583
15 HB2 CYS 3 HB2 CYS 3 -5.752 0.298 8.368
16 HB3 CYS 3 HB1 CYS 3 -6.875 1.598 7.991
17 H TRP 4 HN TRP 4 -5.980 3.003 5.224
18 HA TRP 4 HA TRP 4 -3.503 3.943 6.410
19 HB2 TRP 4 HB2 TRP 4 -2.965 2.800 4.246
20 HB3 TRP 4 HB1 TRP 4 -4.064 3.889 3.429
21 HD1 TRP 4 HD1 TRP 4 -3.161 6.340 2.922
22 HE1 TRP 4 HE1 TRP 4 -0.812 7.354 2.937
23 HE3 TRP 4 3HE TRP 4 -0.740 2.694 5.544
24 HZ2 TRP 4 HZ2 TRP 4 1.749 6.704 3.944
25 HZ3 TRP 4 HZ3 TRP 4 1.664 2.959 5.987
26 HH2 TRP 4 2HH TRP 4 2.882 4.920 5.203
27 H HIS 5 HN HIS 5 -3.883 6.003 7.047
28 HA HIS 5 HA HIS 5 -4.919 7.951 7.450
29 HB2 HIS 5 HB2 HIS 5 -5.416 7.755 4.475
30 HB3 HIS 5 HB1 HIS 5 -5.929 9.155 5.405
31 HD1 HIS 5 HD1 HIS 5 -3.472 8.732 3.112
32 HD2 HIS 5 HD2 HIS 5 -3.242 9.583 7.182
33 HE1 HIS 5 HE1 HIS 5 -1.303 9.947 3.463
34 H HIS 6 HN HIS 6 -6.368 5.612 7.983
35 HA HIS 6 HA HIS 6 -8.318 4.932 8.814
36 HB2 HIS 6 HB2 HIS 6 -9.220 7.754 8.260
37 HB3 HIS 6 HB1 HIS 6 -10.345 6.543 8.856
38 HD1 HIS 6 HD1 HIS 6 -10.705 7.170 11.268
39 HD2 HIS 6 HD2 HIS 6 -6.711 7.328 10.156
40 HE1 HIS 6 HE1 HIS 6 -9.421 7.690 13.364
41 H SER 7 HN SER 7 -7.871 5.517 5.647
42 HA SER 7 HA SER 7 -10.465 4.517 4.871
43 HB2 SER 7 HB2 SER 7 -8.033 5.247 3.232
44 HB3 SER 7 HB1 SER 7 -9.616 4.817 2.575
45 HG SER 7 HG SER 7 -10.277 6.630 4.122
46 H CYS 8 HN CYS 8 -10.813 2.416 4.766
47 HA CYS 8 HA CYS 8 -8.490 0.649 4.684
48 HB2 CYS 8 HB2 CYS 8 -11.233 0.174 5.835
49 HB3 CYS 8 HB1 CYS 8 -9.946 -1.027 5.757
50 H VAL 9 HN VAL 9 -8.332 -0.861 3.236
51 HA VAL 9 HA VAL 9 -10.478 -1.110 1.273
52 HB VAL 9 HB VAL 9 -8.735 -2.002 -0.299
53 HG11 VAL 9 HG11 VAL 9 -8.198 0.726 0.856
54 HG12 VAL 9 HG12 VAL 9 -9.315 0.333 -0.455
55 HG13 VAL 9 3HG1 VAL 9 -7.573 0.161 -0.686
56 HG21 VAL 9 HG21 VAL 9 -6.353 -1.698 0.236
57 HG22 VAL 9 HG22 VAL 9 -7.120 -2.829 1.355
58 HG23 VAL 9 HG23 VAL 9 -6.793 -1.170 1.859
59 HA PRO 10 HA PRO 10 -11.512 -5.040 2.819
60 HB2 PRO 10 HB2 PRO 10 -12.003 -6.413 0.465
61 HB3 PRO 10 HB1 PRO 10 -13.145 -5.334 1.272
62 HG2 PRO 10 HG2 PRO 10 -11.311 -4.784 -1.022
63 HG3 PRO 10 HG1 PRO 10 -12.986 -4.255 -0.777
64 HD2 PRO 10 HD2 PRO 10 -10.942 -2.590 -0.376
65 HD3 PRO 10 HD1 PRO 10 -12.361 -2.566 0.692
66 H SER 11 HN SER 11 -10.860 -7.168 3.111
67 HA SER 11 HA SER 11 -8.132 -7.758 2.806
68 HB2 SER 11 HB2 SER 11 -10.443 -9.601 3.414
69 HB3 SER 11 HB1 SER 11 -8.755 -9.785 3.900
70 HG SER 11 HG SER 11 -10.346 -8.868 5.455
71 H GLY 12 HN GLY 12 -7.138 -8.589 1.095
72 HA2 GLY 12 HA2 GLY 12 -7.099 -10.305 -0.632
73 HA3 GLY 12 HA1 GLY 12 -8.779 -9.905 -0.972
74 H THR 13 HN THR 13 -7.523 -7.035 -0.332
75 HA THR 13 HA THR 13 -7.315 -6.206 -3.034
76 HB THR 13 HB THR 13 -6.475 -4.780 -0.496
77 HG1 THR 13 HG1 THR 13 -8.589 -4.960 -0.302
78 HG21 THR 13 HG21 THR 13 -6.666 -2.717 -1.829
79 HG22 THR 13 HG22 THR 13 -7.014 -3.677 -3.264
80 HG23 THR 13 HG23 THR 13 -5.433 -3.790 -2.493
81 H CYS 14 HN CYS 14 -5.603 -6.388 -4.337
82 HA CYS 14 HA CYS 14 -2.959 -6.642 -3.115
83 HB2 CYS 14 HB2 CYS 14 -3.864 -7.522 -5.851
84 HB3 CYS 14 HB1 CYS 14 -2.291 -7.823 -5.112
85 H ALA 15 HN ALA 15 -1.438 -5.228 -3.656
86 HA ALA 15 HA ALA 15 -2.111 -3.236 -5.684
87 HB1 ALA 15 HB1 ALA 15 -0.789 -2.705 -3.020
88 HB2 ALA 15 HB2 ALA 15 -2.437 -2.257 -3.460
89 HB3 ALA 15 HB3 ALA 15 -1.070 -1.511 -4.287
90 H ASP 16 HN ASP 16 -0.420 -2.507 -6.879
91 HA ASP 16 HA ASP 16 1.868 -4.318 -6.946
92 HB2 ASP 16 HB2 ASP 16 1.148 -2.136 -8.916
93 HB3 ASP 16 HB1 ASP 16 2.327 -3.418 -9.146
94 H PHE 17 HN PHE 17 3.484 -3.688 -5.647
95 HA PHE 17 HA PHE 17 4.138 -0.849 -5.538
96 HB2 PHE 17 HB2 PHE 17 4.926 -3.159 -3.733
97 HB3 PHE 17 HB1 PHE 17 5.513 -1.521 -3.555
98 HD1 PHE 17 HD1 PHE 17 3.962 0.285 -2.945
99 HD2 PHE 17 HD2 PHE 17 2.797 -3.802 -2.929
100 HE1 PHE 17 HE1 PHE 17 2.069 0.843 -1.512
101 HE2 PHE 17 HE2 PHE 17 0.887 -3.258 -1.491
102 HZ PHE 17 HZ PHE 17 0.515 -0.932 -0.774
103 HA PRO 18 HA PRO 18 7.793 -1.831 -7.800
104 HB2 PRO 18 HB2 PRO 18 9.597 -0.045 -6.879
105 HB3 PRO 18 HB1 PRO 18 8.230 0.434 -7.889
106 HG2 PRO 18 HG2 PRO 18 8.610 0.725 -4.955
107 HG3 PRO 18 HG1 PRO 18 7.779 1.795 -6.092
108 HD2 PRO 18 HD2 PRO 18 6.565 -0.014 -4.385
109 HD3 PRO 18 HD1 PRO 18 5.789 0.700 -5.798
110 H TRP 19 HN TRP 19 10.129 -2.397 -7.539
111 HA TRP 19 HA TRP 19 10.552 -4.437 -5.670
112 HB2 TRP 19 HB2 TRP 19 11.757 -4.110 -7.867
113 HB3 TRP 19 HB1 TRP 19 12.646 -2.791 -7.128
114 HD1 TRP 19 HD1 TRP 19 12.364 -6.605 -7.078
115 HE1 TRP 19 HE1 TRP 19 14.486 -7.582 -6.008
116 HE3 TRP 19 3HE TRP 19 14.551 -2.262 -5.521
117 HZ2 TRP 19 HZ2 TRP 19 16.790 -6.636 -4.680
118 HZ3 TRP 19 HZ3 TRP 19 16.703 -2.381 -4.357
119 HH2 TRP 19 2HH TRP 19 17.807 -4.523 -3.944
120 HA PRO 20 HA PRO 20 12.044 -5.366 -4.459
121 HB2 PRO 20 HB2 PRO 20 12.772 -6.120 -2.026
122 HB3 PRO 20 HB1 PRO 20 13.890 -5.253 -3.085
123 HG2 PRO 20 HG2 PRO 20 12.331 -4.243 -0.753
124 HG3 PRO 20 HG1 PRO 20 13.965 -3.813 -1.281
125 HD2 PRO 20 HD2 PRO 20 11.613 -2.365 -1.808
126 HD3 PRO 20 HD1 PRO 20 13.180 -2.141 -2.605
127 H LEU 21 HN LEU 21 9.631 -3.675 -3.153
128 HA LEU 21 HA LEU 21 8.494 -5.606 -1.372
129 HB2 LEU 21 HB2 LEU 21 8.159 -3.170 -1.090
130 HB3 LEU 21 HB1 LEU 21 7.259 -3.143 -2.590
131 HG LEU 21 HG LEU 21 5.450 -4.396 -1.598
132 HD11 LEU 21 HD11 LEU 21 7.128 -4.465 0.902
133 HD12 LEU 21 HD12 LEU 21 6.848 -5.844 -0.168
134 HD13 LEU 21 HD13 LEU 21 5.504 -5.123 0.703
135 HD21 LEU 21 HD21 LEU 21 4.762 -2.833 0.135
136 HD22 LEU 21 HD22 LEU 21 5.481 -1.987 -1.234
137 HD23 LEU 21 HD23 LEU 21 6.410 -2.218 0.247
138 H GLY 22 HN GLY 22 7.696 -4.424 -4.608
139 HA2 GLY 22 HA2 GLY 22 6.881 -5.594 -6.403
140 HA3 GLY 22 HA1 GLY 22 6.991 -7.060 -5.439
141 H HIS 23 HN HIS 23 5.029 -7.818 -6.114
142 HA HIS 23 HA HIS 23 2.662 -6.179 -5.822
143 HB2 HIS 23 HB2 HIS 23 2.852 -9.118 -6.579
144 HB3 HIS 23 HB1 HIS 23 1.485 -8.036 -6.804
145 HD1 HIS 23 HD1 HIS 23 1.607 -6.348 -8.874
146 HD2 HIS 23 HD2 HIS 23 4.829 -8.963 -8.508
147 HE1 HIS 23 HE1 HIS 23 2.836 -6.246 -11.030
148 H GLN 24 HN GLN 24 1.480 -6.146 -3.990
149 HA GLN 24 HA GLN 24 1.877 -8.342 -2.067
150 HB2 GLN 24 HB2 GLN 24 1.620 -5.395 -1.479
151 HB3 GLN 24 HB1 GLN 24 1.529 -6.648 -0.255
152 HG2 GLN 24 HG2 GLN 24 3.903 -6.180 -2.039
153 HG3 GLN 24 HG1 GLN 24 3.723 -5.515 -0.418
154 HE21 GLN 24 1HE2 GLN 24 4.257 -8.370 -2.281
155 HE22 GLN 24 2HE2 GLN 24 4.764 -9.389 -0.988
156 H CYS 25 HN CYS 25 0.117 -9.247 -1.308
157 HA CYS 25 HA CYS 25 -2.487 -7.993 -1.824
158 HB2 CYS 25 HB2 CYS 25 -1.733 -10.903 -1.467
159 HB3 CYS 25 HB1 CYS 25 -3.389 -10.313 -1.560
160 H PHE 26 HN PHE 26 -3.623 -7.373 -0.125
161 HA PHE 26 HA PHE 26 -2.452 -7.823 2.508
162 HB2 PHE 26 HB2 PHE 26 -4.719 -5.986 1.701
163 HB3 PHE 26 HB1 PHE 26 -3.896 -5.997 3.255
164 HD1 PHE 26 HD1 PHE 26 -1.404 -5.451 3.275
165 HD2 PHE 26 HD2 PHE 26 -3.929 -4.671 -0.054
166 HE1 PHE 26 HE1 PHE 26 0.229 -3.825 2.420
167 HE2 PHE 26 HE2 PHE 26 -2.303 -3.049 -0.917
168 HZ PHE 26 HZ PHE 26 -0.216 -2.622 0.325
169 HA PRO 27 HA PRO 27 -5.542 -11.087 2.788
170 HB2 PRO 27 HB2 PRO 27 -4.572 -12.277 5.019
171 HB3 PRO 27 HB1 PRO 27 -3.841 -12.495 3.426
172 HG2 PRO 27 HG2 PRO 27 -3.005 -10.700 5.664
173 HG3 PRO 27 HG1 PRO 27 -2.002 -11.697 4.597
174 HD2 PRO 27 HD2 PRO 27 -2.319 -9.022 4.251
175 HD3 PRO 27 HD1 PRO 27 -2.036 -10.130 2.907
176 H ASP 28 HN ASP 28 -4.733 -8.921 5.454
177 HA ASP 28 HA ASP 28 -7.407 -9.460 6.559
178 HB2 ASP 28 HB2 ASP 28 -5.424 -9.815 8.079
179 HB3 ASP 28 HB1 ASP 28 -5.049 -8.106 7.914
180 H1 GLY 1 HN GLY 1 7.317 7.628 2.381
181 HA2 GLY 1 HA2 GLY 1 7.990 5.734 1.243
182 HA3 GLY 1 HA1 GLY 1 9.127 5.391 2.545
183 H PHE 2 HN PHE 2 8.029 3.220 1.836
184 HA PHE 2 HA PHE 2 6.038 2.672 3.867
185 HB2 PHE 2 HB2 PHE 2 4.739 3.207 1.827
186 HB3 PHE 2 HB1 PHE 2 5.645 1.994 0.939
187 HD1 PHE 2 HD1 PHE 2 4.735 -0.114 0.718
188 HD2 PHE 2 HD2 PHE 2 3.498 2.339 3.964
189 HE1 PHE 2 HE1 PHE 2 3.068 -1.802 1.354
190 HE2 PHE 2 HE2 PHE 2 1.830 0.654 4.605
191 HZ PHE 2 HZ PHE 2 1.614 -1.421 3.297
192 H CYS 3 HN CYS 3 6.173 0.544 4.581
193 HA CYS 3 HA CYS 3 7.931 -1.223 3.148
194 HB2 CYS 3 HB2 CYS 3 9.327 0.056 4.821
195 HB3 CYS 3 HB1 CYS 3 8.309 -0.617 6.089
196 H TRP 4 HN TRP 4 7.343 -3.324 3.401
197 HA TRP 4 HA TRP 4 5.328 -4.034 5.354
198 HB2 TRP 4 HB2 TRP 4 4.224 -2.954 3.311
199 HB3 TRP 4 HB1 TRP 4 4.820 -4.316 2.386
200 HD1 TRP 4 HD1 TRP 4 3.425 -6.514 2.485
201 HE1 TRP 4 HE1 TRP 4 1.179 -7.132 3.534
202 HE3 TRP 4 3HE TRP 4 2.806 -2.431 5.490
203 HZ2 TRP 4 HZ2 TRP 4 -0.641 -6.027 5.417
204 HZ3 TRP 4 HZ3 TRP 4 0.775 -2.289 6.880
205 HH2 TRP 4 2HH TRP 4 -0.900 -4.047 6.840
206 H HIS 5 HN HIS 5 5.648 -6.172 5.873
207 HA HIS 5 HA HIS 5 6.681 -8.174 6.042
208 HB2 HIS 5 HB2 HIS 5 6.370 -8.006 3.054
209 HB3 HIS 5 HB1 HIS 5 7.143 -9.397 3.808
210 HD1 HIS 5 HD1 HIS 5 3.967 -8.477 2.543
211 HD2 HIS 5 HD2 HIS 5 5.290 -10.407 5.980
212 HE1 HIS 5 HE1 HIS 5 2.012 -9.794 3.412
213 H HIS 6 HN HIS 6 8.269 -5.842 6.047
214 HA HIS 6 HA HIS 6 10.398 -5.257 6.412
215 HB2 HIS 6 HB2 HIS 6 11.131 -8.114 5.707
216 HB3 HIS 6 HB1 HIS 6 12.266 -6.919 6.318
217 HD1 HIS 6 HD1 HIS 6 12.248 -6.504 8.869
218 HD2 HIS 6 HD2 HIS 6 9.250 -9.041 7.550
219 HE1 HIS 6 HE1 HIS 6 11.255 -7.532 10.930
220 H SER 7 HN SER 7 9.126 -5.794 3.567
221 HA SER 7 HA SER 7 11.521 -5.119 2.060
222 HB2 SER 7 HB2 SER 7 8.714 -5.740 1.126
223 HB3 SER 7 HB1 SER 7 10.145 -5.568 0.100
224 HG SER 7 HG SER 7 10.122 -7.438 2.206
225 H CYS 8 HN CYS 8 11.909 -3.006 1.968
226 HA CYS 8 HA CYS 8 9.678 -1.165 2.418
227 HB2 CYS 8 HB2 CYS 8 12.614 -0.645 2.813
228 HB3 CYS 8 HB1 CYS 8 11.269 0.341 3.367
229 H VAL 9 HN VAL 9 9.372 0.550 1.068
230 HA VAL 9 HA VAL 9 11.139 0.696 -1.232
231 HB VAL 9 HB VAL 9 9.218 1.619 -2.546
232 HG11 VAL 9 HG11 VAL 9 8.038 -0.515 -2.858
233 HG12 VAL 9 HG12 VAL 9 8.781 -1.113 -1.374
234 HG13 VAL 9 3HG1 VAL 9 9.788 -0.713 -2.764
235 HG21 VAL 9 HG21 VAL 9 7.561 0.796 -0.153
236 HG22 VAL 9 HG22 VAL 9 6.916 1.319 -1.709
237 HG23 VAL 9 HG23 VAL 9 7.828 2.448 -0.707
238 HA PRO 10 HA PRO 10 12.377 4.630 0.106
239 HB2 PRO 10 HB2 PRO 10 12.316 5.663 -2.648
240 HB3 PRO 10 HB1 PRO 10 13.687 5.453 -1.557
241 HG2 PRO 10 HG2 PRO 10 13.330 3.851 -3.673
242 HG3 PRO 10 HG1 PRO 10 13.981 3.238 -2.143
243 HD2 PRO 10 HD2 PRO 10 11.218 2.998 -3.259
244 HD3 PRO 10 HD1 PRO 10 12.215 1.787 -2.422
245 H SER 11 HN SER 11 11.793 6.702 0.598
246 HA SER 11 HA SER 11 9.147 7.512 0.599
247 HB2 SER 11 HB2 SER 11 11.619 9.243 0.730
248 HB3 SER 11 HB1 SER 11 10.039 9.579 1.447
249 HG SER 11 HG SER 11 11.396 8.753 3.027
250 H GLY 12 HN GLY 12 7.919 8.572 -0.866
251 HA2 GLY 12 HA2 GLY 12 7.778 10.234 -2.631
252 HA3 GLY 12 HA1 GLY 12 9.247 9.539 -3.312
253 H THR 13 HN THR 13 7.869 6.886 -2.288
254 HA THR 13 HA THR 13 6.930 6.033 -4.761
255 HB THR 13 HB THR 13 5.886 4.222 -3.098
256 HG1 THR 13 HG1 THR 13 8.061 4.992 -1.546
257 HG21 THR 13 HG21 THR 13 8.023 3.051 -3.216
258 HG22 THR 13 HG22 THR 13 8.838 4.555 -3.662
259 HG23 THR 13 HG23 THR 13 7.648 3.830 -4.751
260 H CYS 14 HN CYS 14 4.856 5.607 -5.506
261 HA CYS 14 HA CYS 14 2.608 6.482 -3.862
262 HB2 CYS 14 HB2 CYS 14 2.989 7.223 -6.773
263 HB3 CYS 14 HB1 CYS 14 1.580 7.591 -5.794
264 H ALA 15 HN ALA 15 0.874 5.167 -4.045
265 HA ALA 15 HA ALA 15 1.071 3.020 -6.042
266 HB1 ALA 15 HB1 ALA 15 0.314 2.676 -3.148
267 HB2 ALA 15 HB2 ALA 15 1.839 2.187 -3.882
268 HB3 ALA 15 HB3 ALA 15 0.333 1.404 -4.370
269 H ASP 16 HN ASP 16 -0.878 1.995 -6.567
270 HA ASP 16 HA ASP 16 -3.214 3.760 -6.465
271 HB2 ASP 16 HB2 ASP 16 -2.455 3.106 -8.696
272 HB3 ASP 16 HB1 ASP 16 -2.551 1.408 -8.255
273 H PHE 17 HN PHE 17 -4.534 3.283 -4.829
274 HA PHE 17 HA PHE 17 -5.098 0.466 -4.272
275 HB2 PHE 17 HB2 PHE 17 -5.430 2.906 -2.499
276 HB3 PHE 17 HB1 PHE 17 -5.930 1.280 -2.079
277 HD1 PHE 17 HD1 PHE 17 -4.267 -0.453 -1.650
278 HD2 PHE 17 HD2 PHE 17 -3.153 3.594 -2.336
279 HE1 PHE 17 HE1 PHE 17 -2.087 -0.894 -0.649
280 HE2 PHE 17 HE2 PHE 17 -0.958 3.166 -1.336
281 HZ PHE 17 HZ PHE 17 -0.413 0.921 -0.485
282 HA PRO 18 HA PRO 18 -9.302 1.315 -5.561
283 HB2 PRO 18 HB2 PRO 18 -10.298 -0.164 -3.207
284 HB3 PRO 18 HB1 PRO 18 -10.528 -0.516 -4.923
285 HG2 PRO 18 HG2 PRO 18 -8.926 -2.019 -3.400
286 HG3 PRO 18 HG1 PRO 18 -8.529 -1.661 -5.090
287 HD2 PRO 18 HD2 PRO 18 -7.416 -0.436 -2.591
288 HD3 PRO 18 HD1 PRO 18 -6.595 -0.913 -4.082
289 H TRP 19 HN TRP 19 -11.218 2.425 -4.952
290 HA TRP 19 HA TRP 19 -10.928 4.617 -3.208
291 HB2 TRP 19 HB2 TRP 19 -12.438 4.423 -5.251
292 HB3 TRP 19 HB1 TRP 19 -13.505 3.413 -4.291
293 HD1 TRP 19 HD1 TRP 19 -12.310 7.038 -4.638
294 HE1 TRP 19 HE1 TRP 19 -14.012 8.584 -3.480
295 HE3 TRP 19 3HE TRP 19 -15.326 3.511 -2.501
296 HZ2 TRP 19 HZ2 TRP 19 -16.313 8.355 -1.895
297 HZ3 TRP 19 HZ3 TRP 19 -17.265 4.261 -1.182
298 HH2 TRP 19 2HH TRP 19 -17.745 6.633 -0.885
299 HA PRO 20 HA PRO 20 -12.049 5.877 -1.844
300 HB2 PRO 20 HB2 PRO 20 -12.210 6.615 0.811
301 HB3 PRO 20 HB1 PRO 20 -13.584 6.408 -0.275
302 HG2 PRO 20 HG2 PRO 20 -12.915 4.821 2.008
303 HG3 PRO 20 HG1 PRO 20 -14.248 4.571 0.873
304 HD2 PRO 20 HD2 PRO 20 -11.577 3.280 0.979
305 HD3 PRO 20 HD1 PRO 20 -13.113 2.652 0.346
306 H LEU 21 HN LEU 21 -9.716 3.912 -1.078
307 HA LEU 21 HA LEU 21 -8.049 5.763 0.396
308 HB2 LEU 21 HB2 LEU 21 -7.923 3.302 0.824
309 HB3 LEU 21 HB1 LEU 21 -7.349 3.087 -0.816
310 HG LEU 21 HG LEU 21 -5.272 4.218 -0.302
311 HD11 LEU 21 HD11 LEU 21 -6.215 5.863 1.315
312 HD12 LEU 21 HD12 LEU 21 -4.768 5.054 1.891
313 HD13 LEU 21 HD13 LEU 21 -6.342 4.553 2.499
314 HD21 LEU 21 HD21 LEU 21 -4.368 2.666 1.347
315 HD22 LEU 21 HD22 LEU 21 -5.426 1.838 0.206
316 HD23 LEU 21 HD23 LEU 21 -6.003 2.215 1.829
317 H GLY 22 HN GLY 22 -8.044 4.157 -2.751
318 HA2 GLY 22 HA2 GLY 22 -7.500 4.919 -4.827
319 HA3 GLY 22 HA1 GLY 22 -7.584 6.541 -4.167
320 H HIS 23 HN HIS 23 -5.884 7.262 -5.298
321 HA HIS 23 HA HIS 23 -3.304 6.046 -5.286
322 HB2 HIS 23 HB2 HIS 23 -4.260 8.793 -6.082
323 HB3 HIS 23 HB1 HIS 23 -2.582 8.300 -6.210
324 HD1 HIS 23 HD1 HIS 23 -1.940 7.002 -8.312
325 HD2 HIS 23 HD2 HIS 23 -6.044 7.404 -7.819
326 HE1 HIS 23 HE1 HIS 23 -2.979 6.200 -10.449
327 H GLN 24 HN GLN 24 -1.958 6.062 -3.651
328 HA GLN 24 HA GLN 24 -1.965 8.358 -1.813
329 HB2 GLN 24 HB2 GLN 24 -1.560 5.438 -1.157
330 HB3 GLN 24 HB1 GLN 24 -1.199 6.744 -0.043
331 HG2 GLN 24 HG2 GLN 24 -3.915 6.173 -1.205
332 HG3 GLN 24 HG1 GLN 24 -3.357 5.635 0.378
333 HE21 GLN 24 1HE2 GLN 24 -4.387 8.326 -1.512
334 HE22 GLN 24 2HE2 GLN 24 -4.596 9.433 -0.201
335 H CYS 25 HN CYS 25 -0.038 9.249 -1.444
336 HA CYS 25 HA CYS 25 2.309 7.917 -2.554
337 HB2 CYS 25 HB2 CYS 25 1.742 10.856 -2.163
338 HB3 CYS 25 HB1 CYS 25 3.340 10.225 -2.546
339 H PHE 26 HN PHE 26 3.998 7.559 -1.342
340 HA PHE 26 HA PHE 26 3.593 7.794 1.532
341 HB2 PHE 26 HB2 PHE 26 5.524 6.096 -0.073
342 HB3 PHE 26 HB1 PHE 26 5.226 5.970 1.664
343 HD1 PHE 26 HD1 PHE 26 2.777 5.390 2.327
344 HD2 PHE 26 HD2 PHE 26 4.397 4.802 -1.556
345 HE1 PHE 26 HE1 PHE 26 1.019 3.739 1.847
346 HE2 PHE 26 HE2 PHE 26 2.653 3.156 -2.048
347 HZ PHE 26 HZ PHE 26 0.953 2.619 -0.344
348 HA PRO 27 HA PRO 27 6.816 11.001 0.866
349 HB2 PRO 27 HB2 PRO 27 5.935 12.154 3.390
350 HB3 PRO 27 HB1 PRO 27 5.836 12.848 1.771
351 HG2 PRO 27 HG2 PRO 27 3.640 12.056 3.161
352 HG3 PRO 27 HG1 PRO 27 3.737 12.006 1.392
353 HD2 PRO 27 HD2 PRO 27 4.093 9.785 3.367
354 HD3 PRO 27 HD1 PRO 27 3.201 9.797 1.827
355 H ASP 28 HN ASP 28 6.149 8.951 3.500
356 HA ASP 28 HA ASP 28 8.841 9.323 4.616
357 HB2 ASP 28 HB2 ASP 28 7.020 9.654 6.239
358 HB3 ASP 28 HB1 ASP 28 6.332 8.097 5.825