Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
604422 | 2n9t RC | 25917 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 H TYR 1 -10.753 0.179 0.819
2 HA TYR 1 HA TYR 1 -11.039 2.506 1.904
3 HB2 TYR 1 2HB TYR 1 -9.142 0.997 3.713
4 HB3 TYR 1 1HB TYR 1 -9.396 2.729 3.736
5 HD1 TYR 1 1HD TYR 1 -12.191 3.177 3.840
6 HD2 TYR 1 2HD TYR 1 -9.990 -0.031 5.537
7 HE1 TYR 1 1HE TYR 1 -13.931 2.892 5.540
8 HE2 TYR 1 2HE TYR 1 -11.722 -0.337 7.228
9 HH TYR 1 HH TYR 1 -13.451 1.037 8.304
10 H CYS 2 H CYS 2 -9.569 3.849 0.987
11 HA CYS 2 HA CYS 2 -7.420 2.583 -0.498
12 HB2 CYS 2 2HB CYS 2 -8.844 4.081 -1.747
13 HB3 CYS 2 1HB CYS 2 -8.506 5.376 -0.579
14 H GLN 3 H GLN 3 -5.430 3.166 -0.299
15 HA GLN 3 HA GLN 3 -4.664 3.892 2.419
16 HB2 GLN 3 2HB GLN 3 -3.114 2.588 0.175
17 HB3 GLN 3 1HB GLN 3 -2.346 3.118 1.652
18 HG2 GLN 3 2HG GLN 3 -2.801 0.690 1.583
19 HG3 GLN 3 1HG GLN 3 -3.569 1.475 2.948
20 HE21 GLN 3 1HE2 GLN 3 -5.759 1.532 3.055
21 HE22 GLN 3 2HE2 GLN 3 -6.785 0.670 1.962
22 H LYS 4 H LYS 4 -4.475 6.119 2.651
23 HA LYS 4 HA LYS 4 -2.990 7.534 0.586
24 HB2 LYS 4 2HB LYS 4 -4.508 8.464 3.031
25 HB3 LYS 4 1HB LYS 4 -3.404 9.518 2.166
26 HG2 LYS 4 2HG LYS 4 -5.650 9.969 1.479
27 HG3 LYS 4 1HG LYS 4 -4.774 9.236 0.125
28 HD2 LYS 4 2HD LYS 4 -6.934 8.294 0.119
29 HD3 LYS 4 1HD LYS 4 -5.905 7.065 0.851
30 HE2 LYS 4 2HE LYS 4 -6.644 7.722 3.067
31 HE3 LYS 4 1HE LYS 4 -7.597 9.040 2.387
32 HZ1 LYS 4 3HZ LYS 4 -8.918 7.358 1.198
33 HZ2 LYS 4 1HZ LYS 4 -9.019 7.169 2.867
34 HZ3 LYS 4 2HZ LYS 4 -8.052 6.133 1.985
35 H TRP 5 H TRP 5 -0.960 7.399 0.679
36 HA TRP 5 HA TRP 5 1.116 6.779 1.331
37 HB2 TRP 5 2HB TRP 5 0.581 9.213 2.435
38 HB3 TRP 5 1HB TRP 5 0.996 8.289 3.880
39 HD1 TRP 5 HD TRP 5 3.495 6.705 3.340
40 HE1 TRP 5 1HE TRP 5 5.696 7.713 2.406
41 HE3 TRP 5 3HE TRP 5 1.678 11.020 1.254
42 HZ2 TRP 5 2HZ TRP 5 6.537 9.951 1.021
43 HZ3 TRP 5 3HZ TRP 5 3.274 12.537 0.147
44 HH2 TRP 5 HH TRP 5 5.650 12.009 0.043
45 H MET 6 H MET 6 1.815 6.703 4.347
46 HA MET 6 HA MET 6 1.656 3.894 4.445
47 HB2 MET 6 2HB MET 6 2.597 4.047 6.742
48 HB3 MET 6 1HB MET 6 3.518 4.947 5.552
49 HG2 MET 6 2HG MET 6 2.469 7.010 6.362
50 HG3 MET 6 1HG MET 6 1.597 6.075 7.574
51 HE1 MET 6 3HE MET 6 4.528 4.757 9.842
52 HE2 MET 6 1HE MET 6 3.832 3.919 8.455
53 HE3 MET 6 2HE MET 6 2.786 4.780 9.582
54 H TRP 7 H TRP 7 -0.113 2.901 4.487
55 HA TRP 7 HA TRP 7 -1.848 3.008 6.851
56 HB2 TRP 7 2HB TRP 7 -2.724 3.120 3.956
57 HB3 TRP 7 1HB TRP 7 -3.762 2.380 5.161
58 HD1 TRP 7 HD TRP 7 -1.866 5.680 5.782
59 HE1 TRP 7 1HE TRP 7 -3.597 7.584 6.054
60 HE3 TRP 7 3HE TRP 7 -6.087 3.100 4.644
61 HZ2 TRP 7 2HZ TRP 7 -6.340 7.938 5.814
62 HZ3 TRP 7 3HZ TRP 7 -8.248 4.303 4.685
63 HH2 TRP 7 HH TRP 7 -8.345 6.691 5.256
64 H THR 8 H THR 8 -3.295 0.877 6.752
65 HA THR 8 HA THR 8 -1.410 -1.226 6.307
66 HB THR 8 HB THR 8 -3.141 -2.564 7.597
67 HG1 THR 8 1HG THR 8 -4.986 -1.491 7.615
68 HG21 THR 8 3HG2 THR 8 -2.471 -1.585 9.761
69 HG22 THR 8 1HG2 THR 8 -1.915 -0.138 8.921
70 HG23 THR 8 2HG2 THR 8 -1.108 -1.680 8.647
71 H CYS 9 H CYS 9 -1.866 -3.121 5.146
72 HA CYS 9 HA CYS 9 -3.924 -2.828 3.072
73 HB2 CYS 9 2HB CYS 9 -2.404 -4.480 1.854
74 HB3 CYS 9 1HB CYS 9 -1.811 -2.833 2.038
75 H ASP 10 H ASP 10 -4.761 -4.898 2.245
76 HA ASP 10 HA ASP 10 -4.905 -7.033 4.245
77 HB2 ASP 10 2HB ASP 10 -7.342 -5.947 2.764
78 HB3 ASP 10 1HB ASP 10 -7.301 -7.231 3.953
79 H SER 11 H SER 11 -6.330 -8.832 2.924
80 HA SER 11 HA SER 11 -4.834 -9.311 0.556
81 HB2 SER 11 2HB SER 11 -5.715 -11.125 2.081
82 HB3 SER 11 1HB SER 11 -7.342 -10.737 1.522
83 HG SER 11 HG SER 11 -6.938 -11.630 -0.362
84 H GLU 12 H GLU 12 -8.003 -8.105 1.369
85 HA GLU 12 HA GLU 12 -8.958 -7.811 -1.310
86 HB2 GLU 12 2HB GLU 12 -9.727 -6.344 1.208
87 HB3 GLU 12 1HB GLU 12 -10.596 -6.265 -0.305
88 HG2 GLU 12 2HG GLU 12 -11.195 -8.596 -0.104
89 HG3 GLU 12 1HG GLU 12 -10.259 -8.727 1.389
90 H ARG 13 H ARG 13 -7.687 -5.590 1.117
91 HA ARG 13 HA ARG 13 -7.750 -3.280 -0.503
92 HB2 ARG 13 2HB ARG 13 -7.049 -3.881 2.226
93 HB3 ARG 13 1HB ARG 13 -5.974 -2.694 1.505
94 HG2 ARG 13 2HG ARG 13 -7.781 -1.587 2.588
95 HG3 ARG 13 1HG ARG 13 -7.860 -1.380 0.848
96 HD2 ARG 13 2HD ARG 13 -10.093 -1.831 1.813
97 HD3 ARG 13 1HD ARG 13 -9.592 -3.086 0.679
98 HE ARG 13 HE ARG 13 -8.907 -3.696 3.394
99 HH11 ARG 13 1HH1 ARG 13 -11.564 -3.827 1.046
100 HH12 ARG 13 2HH1 ARG 13 -12.331 -5.152 1.776
101 HH21 ARG 13 1HH2 ARG 13 -10.001 -5.498 4.430
102 HH22 ARG 13 2HH2 ARG 13 -11.397 -6.146 3.699
103 H LYS 14 H LYS 14 -6.539 -2.738 -1.959
104 HA LYS 14 HA LYS 14 -3.734 -3.574 -1.950
105 HB2 LYS 14 2HB LYS 14 -5.436 -2.755 -4.312
106 HB3 LYS 14 1HB LYS 14 -3.754 -3.272 -4.384
107 HG2 LYS 14 2HG LYS 14 -4.410 -5.469 -3.534
108 HG3 LYS 14 1HG LYS 14 -6.091 -4.944 -3.509
109 HD2 LYS 14 2HD LYS 14 -5.903 -4.502 -5.961
110 HD3 LYS 14 1HD LYS 14 -4.294 -5.228 -5.892
111 HE2 LYS 14 2HE LYS 14 -5.916 -6.869 -6.619
112 HE3 LYS 14 1HE LYS 14 -5.259 -7.297 -5.044
113 HZ1 LYS 14 3HZ LYS 14 -7.869 -5.964 -5.503
114 HZ2 LYS 14 1HZ LYS 14 -7.274 -6.430 -3.996
115 HZ3 LYS 14 2HZ LYS 14 -7.673 -7.590 -5.157
116 H CYS 15 H CYS 15 -2.289 -2.070 -1.855
117 HA CYS 15 HA CYS 15 -3.129 0.451 -0.942
118 HB2 CYS 15 2HB CYS 15 -0.368 -0.616 -1.435
119 HB3 CYS 15 1HB CYS 15 -0.813 0.783 -0.437
120 H CYS 16 H CYS 16 -3.598 2.059 -1.955
121 HA CYS 16 HA CYS 16 -3.706 2.471 -4.648
122 HB2 CYS 16 2HB CYS 16 -3.628 4.570 -2.511
123 HB3 CYS 16 1HB CYS 16 -4.398 4.683 -4.090
124 H GLU 17 H GLU 17 -2.706 3.935 -6.036
125 HA GLU 17 HA GLU 17 -1.124 5.176 -7.039
126 HB2 GLU 17 2HB GLU 17 -1.342 6.490 -4.858
127 HB3 GLU 17 1HB GLU 17 0.097 5.643 -4.320
128 HG2 GLU 17 2HG GLU 17 1.303 6.590 -6.270
129 HG3 GLU 17 1HG GLU 17 -0.136 7.540 -6.636
130 H GLY 18 H GLY 18 -0.731 2.313 -6.080
131 HA2 GLY 18 2HA GLY 18 0.785 0.669 -6.647
132 HA3 GLY 18 1HA GLY 18 1.780 1.919 -7.387
133 H MET 19 H MET 19 0.698 1.126 -4.100
134 HA MET 19 HA MET 19 3.481 1.431 -3.257
135 HB2 MET 19 2HB MET 19 0.952 1.686 -1.617
136 HB3 MET 19 1HB MET 19 2.581 1.794 -0.965
137 HG2 MET 19 2HG MET 19 2.999 3.754 -2.358
138 HG3 MET 19 1HG MET 19 1.358 3.650 -2.988
139 HE1 MET 19 3HE MET 19 2.497 6.260 -1.827
140 HE2 MET 19 1HE MET 19 1.205 6.822 -0.765
141 HE3 MET 19 2HE MET 19 0.815 6.119 -2.333
142 H VAL 20 H VAL 20 4.418 -0.199 -2.072
143 HA VAL 20 HA VAL 20 3.246 -2.772 -2.525
144 HB VAL 20 HB VAL 20 5.653 -2.438 -2.897
145 HG11 VAL 20 1HG1 VAL 20 7.233 -2.221 -1.054
146 HG12 VAL 20 2HG1 VAL 20 5.888 -2.057 0.071
147 HG13 VAL 20 3HG1 VAL 20 6.154 -0.829 -1.168
148 HG21 VAL 20 3HG2 VAL 20 5.088 -4.420 -0.696
149 HG22 VAL 20 1HG2 VAL 20 6.508 -4.437 -1.741
150 HG23 VAL 20 2HG2 VAL 20 4.904 -4.698 -2.427
151 H CYS 21 H CYS 21 2.371 -4.158 -1.143
152 HA CYS 21 HA CYS 21 1.440 -3.199 1.368
153 HB2 CYS 21 2HB CYS 21 0.003 -4.659 0.077
154 HB3 CYS 21 1HB CYS 21 1.245 -5.899 0.024
155 H ARG 22 H ARG 22 2.375 -3.319 3.209
156 HA ARG 22 HA ARG 22 4.211 -5.414 3.991
157 HB2 ARG 22 2HB ARG 22 5.454 -3.525 2.682
158 HB3 ARG 22 1HB ARG 22 5.047 -2.493 4.029
159 HG2 ARG 22 2HG ARG 22 7.346 -3.280 4.160
160 HG3 ARG 22 1HG ARG 22 6.431 -3.879 5.530
161 HD2 ARG 22 2HD ARG 22 6.238 -6.061 4.446
162 HD3 ARG 22 1HD ARG 22 7.081 -5.436 3.026
163 HE ARG 22 HE ARG 22 8.791 -4.902 5.025
164 HH11 ARG 22 1HH1 ARG 22 7.151 -7.933 4.184
165 HH12 ARG 22 2HH1 ARG 22 8.464 -8.917 4.612
166 HH21 ARG 22 1HH2 ARG 22 10.579 -6.239 5.593
167 HH22 ARG 22 2HH2 ARG 22 10.469 -7.927 5.452
168 H LEU 23 H LEU 23 5.014 -3.822 6.349
169 HA LEU 23 HA LEU 23 2.798 -4.029 8.029
170 HB2 LEU 23 2HB LEU 23 5.151 -2.139 8.325
171 HB3 LEU 23 1HB LEU 23 4.048 -2.596 9.597
172 HG LEU 23 HG LEU 23 5.961 -4.474 8.208
173 HD11 LEU 23 1HD1 LEU 23 7.172 -4.433 10.338
174 HD12 LEU 23 2HD1 LEU 23 6.066 -3.193 10.933
175 HD13 LEU 23 3HD1 LEU 23 7.129 -2.849 9.568
176 HD21 LEU 23 3HD2 LEU 23 5.357 -6.035 9.999
177 HD22 LEU 23 1HD2 LEU 23 3.953 -5.611 9.019
178 HD23 LEU 23 2HD2 LEU 23 4.172 -4.879 10.608
179 H TRP 24 H TRP 24 4.084 -1.335 6.210
180 HA TRP 24 HA TRP 24 1.452 -0.142 6.175
181 HB2 TRP 24 2HB TRP 24 3.977 1.230 7.038
182 HB3 TRP 24 1HB TRP 24 2.724 2.142 6.221
183 HD1 TRP 24 HD TRP 24 0.311 2.248 7.517
184 HE1 TRP 24 1HE TRP 24 -0.203 2.272 10.027
185 HE3 TRP 24 3HE TRP 24 4.713 0.422 9.177
186 HZ2 TRP 24 2HZ TRP 24 1.137 1.597 12.446
187 HZ3 TRP 24 3HZ TRP 24 5.060 0.125 11.621
188 HH2 TRP 24 HH TRP 24 3.300 0.707 13.209
189 H CYS 25 H CYS 25 0.918 0.351 4.205
190 HA CYS 25 HA CYS 25 2.824 0.060 2.063
191 HB2 CYS 25 2HB CYS 25 -0.035 0.982 2.076
192 HB3 CYS 25 1HB CYS 25 0.947 0.705 0.640
193 H LYS 26 H LYS 26 4.071 1.671 1.459
194 HA LYS 26 HA LYS 26 3.000 4.346 1.442
195 HB2 LYS 26 2HB LYS 26 4.991 5.237 2.645
196 HB3 LYS 26 1HB LYS 26 3.856 4.341 3.651
197 HG2 LYS 26 2HG LYS 26 5.237 2.449 3.675
198 HG3 LYS 26 1HG LYS 26 6.296 3.144 2.444
199 HD2 LYS 26 2HD LYS 26 5.914 4.326 5.201
200 HD3 LYS 26 1HD LYS 26 7.228 3.221 4.799
201 HE2 LYS 26 2HE LYS 26 7.951 4.809 3.027
202 HE3 LYS 26 1HE LYS 26 6.693 5.921 3.561
203 HZ1 LYS 26 3HZ LYS 26 7.768 6.028 5.720
204 HZ2 LYS 26 1HZ LYS 26 8.837 6.474 4.494
205 HZ3 LYS 26 2HZ LYS 26 8.954 4.955 5.207
206 H LYS 27 H LYS 27 4.307 5.777 0.223
207 HA LYS 27 HA LYS 27 6.151 4.385 -1.495
208 HB2 LYS 27 2HB LYS 27 6.300 6.533 -2.769
209 HB3 LYS 27 1HB LYS 27 4.688 5.858 -2.712
210 HG2 LYS 27 2HG LYS 27 3.961 7.551 -1.181
211 HG3 LYS 27 1HG LYS 27 5.620 8.106 -0.940
212 HD2 LYS 27 2HD LYS 27 5.787 8.893 -3.176
213 HD3 LYS 27 1HD LYS 27 4.288 8.090 -3.629
214 HE2 LYS 27 2HE LYS 27 4.448 10.340 -1.635
215 HE3 LYS 27 1HE LYS 27 4.140 10.583 -3.352
216 HZ1 LYS 27 3HZ LYS 27 2.036 10.515 -2.315
217 HZ2 LYS 27 1HZ LYS 27 2.384 9.121 -1.417
218 HZ3 LYS 27 2HZ LYS 27 2.231 9.050 -3.087
219 H LYS 28 H LYS 28 8.279 4.733 -1.440
220 HA LYS 28 HA LYS 28 9.171 5.932 1.028
221 HB2 LYS 28 2HB LYS 28 10.693 4.397 -1.070
222 HB3 LYS 28 1HB LYS 28 11.371 4.977 0.449
223 HG2 LYS 28 2HG LYS 28 9.782 3.579 1.689
224 HG3 LYS 28 1HG LYS 28 9.123 2.987 0.166
225 HD2 LYS 28 2HD LYS 28 10.675 1.368 1.102
226 HD3 LYS 28 1HD LYS 28 11.319 2.036 -0.396
227 HE2 LYS 28 2HE LYS 28 13.044 1.844 1.321
228 HE3 LYS 28 1HE LYS 28 12.780 3.524 0.879
229 HZ1 LYS 28 3HZ LYS 28 12.996 3.184 3.273
230 HZ2 LYS 28 1HZ LYS 28 11.672 2.174 3.283
231 HZ3 LYS 28 2HZ LYS 28 11.472 3.804 2.934
232 H LEU 29 H LEU 29 9.070 7.967 0.881
233 HA LEU 29 HA LEU 29 9.571 10.103 0.442
234 HB2 LEU 29 2HB LEU 29 11.746 8.994 -1.347
235 HB3 LEU 29 1HB LEU 29 11.584 10.681 -0.906
236 HG LEU 29 HG LEU 29 12.172 8.416 1.004
237 HD11 LEU 29 1HD1 LEU 29 14.035 8.868 -0.483
238 HD12 LEU 29 2HD1 LEU 29 14.394 9.410 1.156
239 HD13 LEU 29 3HD1 LEU 29 13.954 10.584 -0.085
240 HD21 LEU 29 3HD2 LEU 29 12.614 10.201 2.627
241 HD22 LEU 29 1HD2 LEU 29 10.936 10.222 2.085
242 HD23 LEU 29 2HD2 LEU 29 12.082 11.401 1.449
243 H TRP 30 H TRP 30 10.036 11.567 -1.751
244 HA TRP 30 HA TRP 30 7.610 10.971 -3.263
245 HB2 TRP 30 2HB TRP 30 7.998 13.242 -2.180
246 HB3 TRP 30 1HB TRP 30 9.288 13.482 -3.346
247 HD1 TRP 30 HD TRP 30 8.578 13.850 -5.821
248 HE1 TRP 30 1HE TRP 30 6.348 14.692 -6.899
249 HE3 TRP 30 3HE TRP 30 5.501 13.173 -1.859
250 HZ2 TRP 30 2HZ TRP 30 3.659 15.008 -6.112
251 HZ3 TRP 30 3HZ TRP 30 3.120 13.767 -2.069
252 HH2 TRP 30 HH TRP 30 2.225 14.665 -4.153
Start of MODEL 2
1 H1 TYR 1 H TYR 1 -10.352 6.588 2.752
2 HA TYR 1 HA TYR 1 -11.987 5.908 1.268
3 HB2 TYR 1 2HB TYR 1 -11.897 6.734 -1.127
4 HB3 TYR 1 1HB TYR 1 -12.442 7.888 0.084
5 HD1 TYR 1 2HD TYR 1 -9.682 6.996 -2.206
6 HD2 TYR 1 1HD TYR 1 -11.220 9.896 0.494
7 HE1 TYR 1 2HE TYR 1 -8.051 8.626 -3.023
8 HE2 TYR 1 1HE TYR 1 -9.602 11.533 -0.322
9 HH TYR 1 HH TYR 1 -7.898 11.125 -3.144
10 H CYS 2 H CYS 2 -8.664 6.223 1.028
11 HA CYS 2 HA CYS 2 -8.401 3.458 0.392
12 HB2 CYS 2 2HB CYS 2 -8.564 4.465 -1.903
13 HB3 CYS 2 1HB CYS 2 -7.167 5.470 -1.539
14 H GLN 3 H GLN 3 -5.840 3.150 0.115
15 HA GLN 3 HA GLN 3 -4.782 4.130 2.609
16 HB2 GLN 3 2HB GLN 3 -3.850 2.144 0.561
17 HB3 GLN 3 1HB GLN 3 -2.852 2.581 1.917
18 HG2 GLN 3 2HG GLN 3 -4.054 0.417 2.135
19 HG3 GLN 3 1HG GLN 3 -4.390 1.496 3.463
20 HE21 GLN 3 1HE2 GLN 3 -6.455 2.321 3.657
21 HE22 GLN 3 2HE2 GLN 3 -7.796 1.688 2.786
22 H LYS 4 H LYS 4 -4.149 6.181 2.294
23 HA LYS 4 HA LYS 4 -2.430 6.753 0.000
24 HB2 LYS 4 2HB LYS 4 -3.921 8.592 1.825
25 HB3 LYS 4 1HB LYS 4 -2.850 9.138 0.532
26 HG2 LYS 4 2HG LYS 4 -4.297 7.897 -1.074
27 HG3 LYS 4 1HG LYS 4 -5.393 7.569 0.266
28 HD2 LYS 4 2HD LYS 4 -4.552 10.326 -0.474
29 HD3 LYS 4 1HD LYS 4 -5.914 9.548 -1.276
30 HE2 LYS 4 2HE LYS 4 -6.831 10.911 0.468
31 HE3 LYS 4 1HE LYS 4 -6.942 9.249 1.018
32 HZ1 LYS 4 3HZ LYS 4 -5.067 9.631 2.489
33 HZ2 LYS 4 1HZ LYS 4 -6.223 10.824 2.712
34 HZ3 LYS 4 2HZ LYS 4 -4.837 11.178 1.845
35 H TRP 5 H TRP 5 -0.478 6.664 0.288
36 HA TRP 5 HA TRP 5 1.568 6.345 1.212
37 HB2 TRP 5 2HB TRP 5 1.075 8.863 1.722
38 HB3 TRP 5 1HB TRP 5 0.830 8.341 3.381
39 HD1 TRP 5 HD TRP 5 3.486 6.167 2.859
40 HE1 TRP 5 1HE TRP 5 5.822 7.202 3.221
41 HE3 TRP 5 3HE TRP 5 2.273 11.127 2.502
42 HZ2 TRP 5 2HZ TRP 5 6.983 9.740 3.339
43 HZ3 TRP 5 3HZ TRP 5 4.062 12.791 2.748
44 HH2 TRP 5 HH TRP 5 6.370 12.110 3.155
45 H MET 6 H MET 6 1.873 6.663 4.266
46 HA MET 6 HA MET 6 1.715 3.869 4.712
47 HB2 MET 6 2HB MET 6 2.532 4.337 6.980
48 HB3 MET 6 1HB MET 6 3.476 5.129 5.734
49 HG2 MET 6 2HG MET 6 2.189 7.222 6.229
50 HG3 MET 6 1HG MET 6 1.494 6.380 7.613
51 HE1 MET 6 3HE MET 6 5.159 6.394 6.038
52 HE2 MET 6 1HE MET 6 5.946 7.532 7.131
53 HE3 MET 6 2HE MET 6 4.651 8.079 6.069
54 H TRP 7 H TRP 7 0.006 2.849 4.699
55 HA TRP 7 HA TRP 7 -1.927 3.128 6.895
56 HB2 TRP 7 2HB TRP 7 -2.661 2.909 3.951
57 HB3 TRP 7 1HB TRP 7 -3.783 2.486 5.219
58 HD1 TRP 7 HD TRP 7 -1.662 5.696 4.743
59 HE1 TRP 7 1HE TRP 7 -3.262 7.722 4.730
60 HE3 TRP 7 3HE TRP 7 -6.067 3.233 5.187
61 HZ2 TRP 7 2HZ TRP 7 -6.017 8.197 4.857
62 HZ3 TRP 7 3HZ TRP 7 -8.158 4.544 5.204
63 HH2 TRP 7 HH TRP 7 -8.109 6.980 5.037
64 H THR 8 H THR 8 -3.417 0.955 6.671
65 HA THR 8 HA THR 8 -1.498 -1.190 6.446
66 HB THR 8 HB THR 8 -3.426 -2.453 7.571
67 HG1 THR 8 1HG THR 8 -5.187 -1.363 7.801
68 HG21 THR 8 3HG2 THR 8 -2.142 -0.107 8.979
69 HG22 THR 8 1HG2 THR 8 -1.423 -1.702 8.766
70 HG23 THR 8 2HG2 THR 8 -2.857 -1.508 9.776
71 H CYS 9 H CYS 9 -2.011 -3.174 5.321
72 HA CYS 9 HA CYS 9 -3.998 -2.822 3.210
73 HB2 CYS 9 2HB CYS 9 -2.419 -3.990 1.688
74 HB3 CYS 9 1HB CYS 9 -1.853 -2.414 2.231
75 H ASP 10 H ASP 10 -4.387 -4.991 2.088
76 HA ASP 10 HA ASP 10 -4.046 -7.358 3.739
77 HB2 ASP 10 2HB ASP 10 -6.748 -6.351 2.767
78 HB3 ASP 10 1HB ASP 10 -6.454 -7.967 3.371
79 H SER 11 H SER 11 -5.156 -9.210 2.291
80 HA SER 11 HA SER 11 -3.942 -9.097 -0.254
81 HB2 SER 11 2HB SER 11 -6.078 -10.972 0.761
82 HB3 SER 11 1HB SER 11 -4.995 -11.267 -0.603
83 HG SER 11 HG SER 11 -4.558 -12.042 1.729
84 H GLU 12 H GLU 12 -7.200 -8.525 0.923
85 HA GLU 12 HA GLU 12 -8.286 -8.132 -1.729
86 HB2 GLU 12 2HB GLU 12 -9.483 -7.511 0.969
87 HB3 GLU 12 1HB GLU 12 -10.335 -7.487 -0.561
88 HG2 GLU 12 2HG GLU 12 -9.924 -9.898 -0.795
89 HG3 GLU 12 1HG GLU 12 -9.150 -9.892 0.792
90 H ARG 13 H ARG 13 -7.610 -6.185 1.119
91 HA ARG 13 HA ARG 13 -8.270 -3.709 -0.146
92 HB2 ARG 13 2HB ARG 13 -8.577 -4.130 2.271
93 HB3 ARG 13 1HB ARG 13 -6.833 -4.247 2.450
94 HG2 ARG 13 2HG ARG 13 -7.312 -2.101 3.138
95 HG3 ARG 13 1HG ARG 13 -6.775 -1.884 1.479
96 HD2 ARG 13 2HD ARG 13 -9.601 -1.880 2.520
97 HD3 ARG 13 1HD ARG 13 -8.678 -0.501 1.935
98 HE ARG 13 HE ARG 13 -9.927 -2.608 0.401
99 HH11 ARG 13 1HH1 ARG 13 -7.760 0.180 0.248
100 HH12 ARG 13 2HH1 ARG 13 -8.251 0.654 -1.319
101 HH21 ARG 13 1HH2 ARG 13 -10.592 -1.932 -1.775
102 HH22 ARG 13 2HH2 ARG 13 -9.862 -0.562 -2.472
103 H LYS 14 H LYS 14 -6.987 -2.881 -1.624
104 HA LYS 14 HA LYS 14 -4.095 -3.292 -1.419
105 HB2 LYS 14 2HB LYS 14 -5.802 -2.689 -3.834
106 HB3 LYS 14 1HB LYS 14 -4.048 -2.802 -3.852
107 HG2 LYS 14 2HG LYS 14 -4.157 -5.110 -3.149
108 HG3 LYS 14 1HG LYS 14 -5.917 -5.023 -3.062
109 HD2 LYS 14 2HD LYS 14 -6.028 -4.626 -5.447
110 HD3 LYS 14 1HD LYS 14 -4.270 -4.605 -5.557
111 HE2 LYS 14 2HE LYS 14 -5.970 -6.944 -4.697
112 HE3 LYS 14 1HE LYS 14 -5.178 -6.766 -6.262
113 HZ1 LYS 14 3HZ LYS 14 -3.878 -8.191 -4.830
114 HZ2 LYS 14 1HZ LYS 14 -3.786 -7.013 -3.628
115 HZ3 LYS 14 2HZ LYS 14 -3.034 -6.779 -5.114
116 H CYS 15 H CYS 15 -2.703 -1.590 -1.833
117 HA CYS 15 HA CYS 15 -3.779 0.926 -0.912
118 HB2 CYS 15 2HB CYS 15 -0.936 -0.047 -1.161
119 HB3 CYS 15 1HB CYS 15 -1.431 1.447 -0.367
120 H CYS 16 H CYS 16 -4.045 2.618 -2.159
121 HA CYS 16 HA CYS 16 -3.748 2.467 -4.935
122 HB2 CYS 16 2HB CYS 16 -4.367 4.821 -3.154
123 HB3 CYS 16 1HB CYS 16 -4.485 4.844 -4.911
124 H GLU 17 H GLU 17 -2.657 4.020 -6.315
125 HA GLU 17 HA GLU 17 -0.908 5.039 -7.210
126 HB2 GLU 17 2HB GLU 17 -0.997 6.550 -5.176
127 HB3 GLU 17 1HB GLU 17 0.188 5.506 -4.407
128 HG2 GLU 17 2HG GLU 17 1.786 6.039 -6.170
129 HG3 GLU 17 1HG GLU 17 0.592 7.071 -6.943
130 H GLY 18 H GLY 18 -1.045 2.224 -6.237
131 HA2 GLY 18 2HA GLY 18 0.203 0.301 -6.439
132 HA3 GLY 18 1HA GLY 18 1.342 1.265 -7.373
133 H MET 19 H MET 19 0.308 1.181 -3.982
134 HA MET 19 HA MET 19 3.114 1.486 -3.279
135 HB2 MET 19 2HB MET 19 0.602 1.874 -1.675
136 HB3 MET 19 1HB MET 19 2.187 1.867 -0.919
137 HG2 MET 19 2HG MET 19 2.866 3.723 -2.376
138 HG3 MET 19 1HG MET 19 1.251 3.744 -3.080
139 HE1 MET 19 3HE MET 19 2.734 6.276 -1.797
140 HE2 MET 19 1HE MET 19 1.380 7.020 -0.952
141 HE3 MET 19 2HE MET 19 1.146 6.331 -2.558
142 H VAL 20 H VAL 20 4.182 0.164 -1.875
143 HA VAL 20 HA VAL 20 3.389 -2.544 -2.267
144 HB VAL 20 HB VAL 20 5.711 -2.020 -2.682
145 HG11 VAL 20 1HG1 VAL 20 7.284 -1.364 -0.953
146 HG12 VAL 20 2HG1 VAL 20 5.967 -1.281 0.209
147 HG13 VAL 20 3HG1 VAL 20 6.009 -0.157 -1.152
148 HG21 VAL 20 3HG2 VAL 20 5.266 -4.281 -1.912
149 HG22 VAL 20 1HG2 VAL 20 5.463 -3.770 -0.236
150 HG23 VAL 20 2HG2 VAL 20 6.842 -3.742 -1.335
151 H CYS 21 H CYS 21 2.535 -3.872 -1.006
152 HA CYS 21 HA CYS 21 1.311 -3.079 1.440
153 HB2 CYS 21 2HB CYS 21 0.318 -4.597 -0.319
154 HB3 CYS 21 1HB CYS 21 1.591 -5.729 0.159
155 H ARG 22 H ARG 22 2.301 -3.175 3.342
156 HA ARG 22 HA ARG 22 3.989 -5.349 4.126
157 HB2 ARG 22 2HB ARG 22 4.744 -2.587 3.567
158 HB3 ARG 22 1HB ARG 22 5.553 -3.316 4.967
159 HG2 ARG 22 2HG ARG 22 5.541 -4.216 2.094
160 HG3 ARG 22 1HG ARG 22 6.900 -3.399 2.879
161 HD2 ARG 22 2HD ARG 22 7.191 -5.309 4.358
162 HD3 ARG 22 1HD ARG 22 5.776 -6.101 3.670
163 HE ARG 22 HE ARG 22 7.156 -5.896 1.506
164 HH11 ARG 22 1HH1 ARG 22 8.485 -6.671 4.715
165 HH12 ARG 22 2HH1 ARG 22 9.765 -7.590 4.100
166 HH21 ARG 22 1HH2 ARG 22 8.910 -7.144 0.691
167 HH22 ARG 22 2HH2 ARG 22 10.018 -7.876 1.763
168 H LEU 23 H LEU 23 4.853 -3.859 6.428
169 HA LEU 23 HA LEU 23 2.804 -4.013 8.304
170 HB2 LEU 23 2HB LEU 23 4.990 -1.928 8.265
171 HB3 LEU 23 1HB LEU 23 4.090 -2.440 9.671
172 HG LEU 23 HG LEU 23 6.021 -4.164 8.121
173 HD11 LEU 23 1HD1 LEU 23 7.435 -3.892 10.080
174 HD12 LEU 23 2HD1 LEU 23 6.263 -2.768 10.769
175 HD13 LEU 23 3HD1 LEU 23 7.122 -2.352 9.284
176 HD21 LEU 23 3HD2 LEU 23 5.804 -5.703 9.999
177 HD22 LEU 23 1HD2 LEU 23 4.242 -5.452 9.224
178 HD23 LEU 23 2HD2 LEU 23 4.613 -4.637 10.742
179 H TRP 24 H TRP 24 3.920 -1.266 6.477
180 HA TRP 24 HA TRP 24 1.238 -0.162 6.391
181 HB2 TRP 24 2HB TRP 24 3.800 1.275 7.071
182 HB3 TRP 24 1HB TRP 24 2.484 2.138 6.307
183 HD1 TRP 24 HD TRP 24 0.177 2.245 7.756
184 HE1 TRP 24 1HE TRP 24 -0.141 2.408 10.332
185 HE3 TRP 24 3HE TRP 24 4.750 0.649 9.183
186 HZ2 TRP 24 2HZ TRP 24 1.408 1.927 12.652
187 HZ3 TRP 24 3HZ TRP 24 5.297 0.529 11.596
188 HH2 TRP 24 HH TRP 24 3.643 1.161 13.287
189 H CYS 25 H CYS 25 0.741 0.410 4.348
190 HA CYS 25 HA CYS 25 2.583 -0.136 2.238
191 HB2 CYS 25 2HB CYS 25 -0.060 1.313 2.253
192 HB3 CYS 25 1HB CYS 25 0.890 1.033 0.799
193 H LYS 26 H LYS 26 3.996 1.151 1.391
194 HA LYS 26 HA LYS 26 3.832 4.015 1.716
195 HB2 LYS 26 2HB LYS 26 6.230 2.334 2.523
196 HB3 LYS 26 1HB LYS 26 6.223 4.079 2.390
197 HG2 LYS 26 2HG LYS 26 4.641 4.208 4.248
198 HG3 LYS 26 1HG LYS 26 4.648 2.445 4.376
199 HD2 LYS 26 2HD LYS 26 7.036 2.476 4.869
200 HD3 LYS 26 1HD LYS 26 7.064 4.228 4.678
201 HE2 LYS 26 2HE LYS 26 5.465 4.409 6.556
202 HE3 LYS 26 1HE LYS 26 5.575 2.666 6.770
203 HZ1 LYS 26 3HZ LYS 26 7.874 2.864 7.322
204 HZ2 LYS 26 1HZ LYS 26 7.004 3.932 8.279
205 HZ3 LYS 26 2HZ LYS 26 7.890 4.523 6.978
206 H LYS 27 H LYS 27 5.894 4.793 0.466
207 HA LYS 27 HA LYS 27 6.365 3.057 -1.801
208 HB2 LYS 27 2HB LYS 27 6.548 5.187 -3.181
209 HB3 LYS 27 1HB LYS 27 4.926 4.739 -2.689
210 HG2 LYS 27 2HG LYS 27 5.032 6.418 -0.890
211 HG3 LYS 27 1HG LYS 27 6.648 6.876 -1.438
212 HD2 LYS 27 2HD LYS 27 5.810 7.601 -3.548
213 HD3 LYS 27 1HD LYS 27 4.216 6.935 -3.216
214 HE2 LYS 27 2HE LYS 27 3.964 8.565 -1.373
215 HE3 LYS 27 1HE LYS 27 5.533 9.249 -1.799
216 HZ1 LYS 27 3HZ LYS 27 3.271 9.059 -3.702
217 HZ2 LYS 27 1HZ LYS 27 4.691 9.923 -3.908
218 HZ3 LYS 27 2HZ LYS 27 3.562 10.454 -2.782
219 H LYS 28 H LYS 28 8.453 3.880 -2.924
220 HA LYS 28 HA LYS 28 10.357 4.043 -0.760
221 HB2 LYS 28 2HB LYS 28 10.876 3.699 -3.709
222 HB3 LYS 28 1HB LYS 28 12.038 3.488 -2.407
223 HG2 LYS 28 2HG LYS 28 9.582 1.830 -2.854
224 HG3 LYS 28 1HG LYS 28 11.235 1.347 -3.270
225 HD2 LYS 28 2HD LYS 28 11.804 1.472 -0.853
226 HD3 LYS 28 1HD LYS 28 10.126 1.887 -0.501
227 HE2 LYS 28 2HE LYS 28 9.393 -0.249 -1.467
228 HE3 LYS 28 1HE LYS 28 11.069 -0.661 -1.815
229 HZ1 LYS 28 3HZ LYS 28 10.334 -1.742 0.182
230 HZ2 LYS 28 1HZ LYS 28 9.906 -0.277 0.901
231 HZ3 LYS 28 2HZ LYS 28 11.517 -0.615 0.565
232 H LEU 29 H LEU 29 10.979 5.848 -0.100
233 HA LEU 29 HA LEU 29 10.918 8.185 -1.831
234 HB2 LEU 29 2HB LEU 29 11.152 7.913 1.154
235 HB3 LEU 29 1HB LEU 29 11.577 9.405 0.358
236 HG LEU 29 HG LEU 29 9.243 9.616 -0.461
237 HD11 LEU 29 1HD1 LEU 29 8.685 7.202 1.246
238 HD12 LEU 29 2HD1 LEU 29 8.622 7.262 -0.512
239 HD13 LEU 29 3HD1 LEU 29 7.484 8.215 0.445
240 HD21 LEU 29 3HD2 LEU 29 9.978 10.660 1.615
241 HD22 LEU 29 1HD2 LEU 29 9.468 9.234 2.510
242 HD23 LEU 29 2HD2 LEU 29 8.271 10.220 1.663
243 H TRP 30 H TRP 30 12.621 7.746 -3.113
244 HA TRP 30 HA TRP 30 14.724 7.898 -3.885
245 HB2 TRP 30 2HB TRP 30 15.377 9.280 -1.272
246 HB3 TRP 30 1HB TRP 30 16.328 9.346 -2.750
247 HD1 TRP 30 HD TRP 30 13.850 11.254 -0.901
248 HE1 TRP 30 1HE TRP 30 12.748 13.072 -2.363
249 HE3 TRP 30 3HE TRP 30 15.343 9.623 -5.505
250 HZ2 TRP 30 2HZ TRP 30 12.540 13.718 -5.081
251 HZ3 TRP 30 3HZ TRP 30 14.636 10.899 -7.487
252 HH2 TRP 30 HH TRP 30 13.262 12.901 -7.272
Start of MODEL 3
1 H1 TYR 1 H TYR 1 -10.165 1.672 2.425
2 HA TYR 1 HA TYR 1 -11.234 3.542 0.678
3 HB2 TYR 1 2HB TYR 1 -9.804 4.578 3.134
4 HB3 TYR 1 1HB TYR 1 -9.968 5.504 1.652
5 HD1 TYR 1 1HD TYR 1 -12.263 6.124 0.874
6 HD2 TYR 1 2HD TYR 1 -11.542 4.516 4.734
7 HE1 TYR 1 1HE TYR 1 -14.399 7.013 1.625
8 HE2 TYR 1 2HE TYR 1 -13.701 5.393 5.505
9 HH TYR 1 HH TYR 1 -15.252 7.197 4.877
10 H CYS 2 H CYS 2 -9.163 4.869 -0.114
11 HA CYS 2 HA CYS 2 -7.211 2.890 -0.729
12 HB2 CYS 2 2HB CYS 2 -7.696 5.687 -1.614
13 HB3 CYS 2 1HB CYS 2 -6.095 4.995 -1.838
14 H GLN 3 H GLN 3 -5.053 3.044 -0.370
15 HA GLN 3 HA GLN 3 -4.475 3.901 2.313
16 HB2 GLN 3 2HB GLN 3 -3.005 2.229 0.271
17 HB3 GLN 3 1HB GLN 3 -2.272 2.706 1.784
18 HG2 GLN 3 2HG GLN 3 -3.144 0.391 1.814
19 HG3 GLN 3 1HG GLN 3 -3.875 1.405 3.043
20 HE21 GLN 3 1HE2 GLN 3 -6.029 1.864 2.914
21 HE22 GLN 3 2HE2 GLN 3 -7.108 1.103 1.824
22 H LYS 4 H LYS 4 -3.988 6.024 2.428
23 HA LYS 4 HA LYS 4 -2.293 7.202 0.348
24 HB2 LYS 4 2HB LYS 4 -3.885 8.425 2.583
25 HB3 LYS 4 1HB LYS 4 -2.874 9.360 1.475
26 HG2 LYS 4 2HG LYS 4 -4.273 8.463 -0.378
27 HG3 LYS 4 1HG LYS 4 -5.328 7.747 0.841
28 HD2 LYS 4 2HD LYS 4 -4.621 10.628 0.597
29 HD3 LYS 4 1HD LYS 4 -6.140 9.929 0.008
30 HE2 LYS 4 2HE LYS 4 -6.584 9.208 2.394
31 HE3 LYS 4 1HE LYS 4 -5.166 10.138 2.870
32 HZ1 LYS 4 3HZ LYS 4 -7.631 11.208 1.621
33 HZ2 LYS 4 1HZ LYS 4 -6.252 12.125 1.940
34 HZ3 LYS 4 2HZ LYS 4 -7.109 11.461 3.205
35 H TRP 5 H TRP 5 -0.341 7.136 0.662
36 HA TRP 5 HA TRP 5 1.694 6.552 1.573
37 HB2 TRP 5 2HB TRP 5 1.038 9.012 2.511
38 HB3 TRP 5 1HB TRP 5 1.161 8.145 4.038
39 HD1 TRP 5 HD TRP 5 3.742 6.475 3.870
40 HE1 TRP 5 1HE TRP 5 6.042 7.528 3.454
41 HE3 TRP 5 3HE TRP 5 2.275 10.883 1.722
42 HZ2 TRP 5 2HZ TRP 5 7.106 9.885 2.375
43 HZ3 TRP 5 3HZ TRP 5 4.007 12.477 1.037
44 HH2 TRP 5 HH TRP 5 6.369 11.985 1.356
45 H MET 6 H MET 6 1.990 6.551 4.643
46 HA MET 6 HA MET 6 1.697 3.765 4.908
47 HB2 MET 6 2HB MET 6 2.254 4.041 7.310
48 HB3 MET 6 1HB MET 6 3.394 4.783 6.206
49 HG2 MET 6 2HG MET 6 2.516 6.970 6.718
50 HG3 MET 6 1HG MET 6 1.252 6.254 7.721
51 HE1 MET 6 3HE MET 6 3.453 8.557 8.611
52 HE2 MET 6 1HE MET 6 3.715 8.023 10.268
53 HE3 MET 6 2HE MET 6 2.086 8.027 9.588
54 H TRP 7 H TRP 7 -0.029 2.788 4.753
55 HA TRP 7 HA TRP 7 -2.112 3.056 6.832
56 HB2 TRP 7 2HB TRP 7 -2.530 2.864 3.854
57 HB3 TRP 7 1HB TRP 7 -3.726 2.218 4.958
58 HD1 TRP 7 HD TRP 7 -1.928 5.644 4.970
59 HE1 TRP 7 1HE TRP 7 -3.750 7.488 4.933
60 HE3 TRP 7 3HE TRP 7 -6.033 2.688 4.739
61 HZ2 TRP 7 2HZ TRP 7 -6.537 7.638 4.824
62 HZ3 TRP 7 3HZ TRP 7 -8.265 3.748 4.662
63 HH2 TRP 7 HH TRP 7 -8.489 6.190 4.701
64 H THR 8 H THR 8 -3.608 0.845 6.391
65 HA THR 8 HA THR 8 -1.605 -1.234 6.365
66 HB THR 8 HB THR 8 -3.406 -2.556 7.450
67 HG1 THR 8 1HG THR 8 -5.299 -1.655 7.151
68 HG21 THR 8 3HG2 THR 8 -1.663 -1.501 8.779
69 HG22 THR 8 1HG2 THR 8 -3.200 -1.442 9.640
70 HG23 THR 8 2HG2 THR 8 -2.588 0.002 8.831
71 H CYS 9 H CYS 9 -1.817 -3.030 5.013
72 HA CYS 9 HA CYS 9 -3.933 -2.863 2.996
73 HB2 CYS 9 2HB CYS 9 -2.383 -4.229 1.568
74 HB3 CYS 9 1HB CYS 9 -1.786 -2.614 1.928
75 H ASP 10 H ASP 10 -4.530 -5.058 2.141
76 HA ASP 10 HA ASP 10 -4.421 -7.160 4.183
77 HB2 ASP 10 2HB ASP 10 -6.993 -6.107 2.949
78 HB3 ASP 10 1HB ASP 10 -6.854 -7.498 3.998
79 H SER 11 H SER 11 -6.146 -8.918 2.920
80 HA SER 11 HA SER 11 -4.829 -9.547 0.484
81 HB2 SER 11 2HB SER 11 -7.499 -10.562 1.508
82 HB3 SER 11 1HB SER 11 -6.440 -11.365 0.346
83 HG SER 11 HG SER 11 -5.086 -11.926 1.909
84 H GLU 12 H GLU 12 -7.960 -8.258 1.377
85 HA GLU 12 HA GLU 12 -8.860 -7.726 -1.268
86 HB2 GLU 12 2HB GLU 12 -9.830 -6.724 1.421
87 HB3 GLU 12 1HB GLU 12 -10.640 -6.391 -0.095
88 HG2 GLU 12 2HG GLU 12 -11.754 -8.177 1.134
89 HG3 GLU 12 1HG GLU 12 -11.108 -8.769 -0.388
90 H ARG 13 H ARG 13 -7.630 -5.732 1.375
91 HA ARG 13 HA ARG 13 -7.584 -3.381 -0.236
92 HB2 ARG 13 2HB ARG 13 -6.898 -3.962 2.549
93 HB3 ARG 13 1HB ARG 13 -5.970 -2.681 1.787
94 HG2 ARG 13 2HG ARG 13 -7.791 -1.684 2.842
95 HG3 ARG 13 1HG ARG 13 -8.046 -1.670 1.090
96 HD2 ARG 13 2HD ARG 13 -10.115 -2.246 2.329
97 HD3 ARG 13 1HD ARG 13 -9.588 -3.512 1.222
98 HE ARG 13 HE ARG 13 -8.525 -4.030 3.773
99 HH11 ARG 13 1HH1 ARG 13 -11.684 -3.914 2.189
100 HH12 ARG 13 2HH1 ARG 13 -12.395 -5.112 3.153
101 HH21 ARG 13 1HH2 ARG 13 -9.496 -5.703 5.124
102 HH22 ARG 13 2HH2 ARG 13 -11.107 -6.168 4.868
103 H LYS 14 H LYS 14 -6.268 -2.919 -1.586
104 HA LYS 14 HA LYS 14 -3.481 -3.703 -1.235
105 HB2 LYS 14 2HB LYS 14 -5.013 -3.560 -3.842
106 HB3 LYS 14 1HB LYS 14 -3.257 -3.656 -3.757
107 HG2 LYS 14 2HG LYS 14 -3.477 -5.792 -2.521
108 HG3 LYS 14 1HG LYS 14 -5.223 -5.704 -2.753
109 HD2 LYS 14 2HD LYS 14 -4.928 -5.778 -5.161
110 HD3 LYS 14 1HD LYS 14 -3.177 -5.754 -4.968
111 HE2 LYS 14 2HE LYS 14 -3.913 -8.016 -5.418
112 HE3 LYS 14 1HE LYS 14 -3.299 -7.904 -3.774
113 HZ1 LYS 14 3HZ LYS 14 -5.365 -9.200 -4.022
114 HZ2 LYS 14 1HZ LYS 14 -6.170 -7.814 -4.505
115 HZ3 LYS 14 2HZ LYS 14 -5.560 -7.935 -2.930
116 H CYS 15 H CYS 15 -1.963 -2.172 -1.745
117 HA CYS 15 HA CYS 15 -2.871 0.337 -0.842
118 HB2 CYS 15 2HB CYS 15 -0.131 -0.228 -1.885
119 HB3 CYS 15 1HB CYS 15 -0.688 0.888 -0.627
120 H CYS 16 H CYS 16 -3.787 1.717 -2.054
121 HA CYS 16 HA CYS 16 -3.771 1.821 -4.863
122 HB2 CYS 16 2HB CYS 16 -4.568 3.952 -2.881
123 HB3 CYS 16 1HB CYS 16 -4.909 4.023 -4.606
124 H GLU 17 H GLU 17 -3.107 3.723 -6.179
125 HA GLU 17 HA GLU 17 -1.655 5.150 -7.041
126 HB2 GLU 17 2HB GLU 17 -2.085 6.356 -4.847
127 HB3 GLU 17 1HB GLU 17 -0.625 5.603 -4.234
128 HG2 GLU 17 2HG GLU 17 -0.230 7.893 -4.933
129 HG3 GLU 17 1HG GLU 17 0.683 6.735 -5.910
130 H GLY 18 H GLY 18 -1.044 2.287 -6.325
131 HA2 GLY 18 2HA GLY 18 0.631 0.819 -6.877
132 HA3 GLY 18 1HA GLY 18 1.497 2.180 -7.573
133 H MET 19 H MET 19 0.464 1.590 -4.259
134 HA MET 19 HA MET 19 3.219 2.065 -3.423
135 HB2 MET 19 2HB MET 19 0.693 2.014 -1.756
136 HB3 MET 19 1HB MET 19 2.305 2.335 -1.124
137 HG2 MET 19 2HG MET 19 2.431 4.289 -2.659
138 HG3 MET 19 1HG MET 19 0.751 3.997 -3.087
139 HE1 MET 19 3HE MET 19 1.712 6.788 -2.106
140 HE2 MET 19 1HE MET 19 0.489 7.218 -0.912
141 HE3 MET 19 2HE MET 19 0.013 6.440 -2.414
142 H VAL 20 H VAL 20 4.055 0.754 -1.570
143 HA VAL 20 HA VAL 20 3.847 -2.040 -2.322
144 HB VAL 20 HB VAL 20 5.568 -0.736 -0.194
145 HG11 VAL 20 1HG1 VAL 20 6.972 -2.737 -0.376
146 HG12 VAL 20 2HG1 VAL 20 5.822 -3.434 -1.516
147 HG13 VAL 20 3HG1 VAL 20 5.334 -3.130 0.150
148 HG21 VAL 20 3HG2 VAL 20 7.386 -0.826 -1.822
149 HG22 VAL 20 1HG2 VAL 20 6.066 0.204 -2.374
150 HG23 VAL 20 2HG2 VAL 20 6.258 -1.417 -3.042
151 H CYS 21 H CYS 21 2.749 -3.549 -1.205
152 HA CYS 21 HA CYS 21 1.347 -2.832 1.213
153 HB2 CYS 21 2HB CYS 21 0.161 -4.230 -0.380
154 HB3 CYS 21 1HB CYS 21 1.470 -5.402 -0.395
155 H ARG 22 H ARG 22 2.060 -3.213 3.185
156 HA ARG 22 HA ARG 22 3.966 -5.263 3.832
157 HB2 ARG 22 2HB ARG 22 5.133 -3.060 2.860
158 HB3 ARG 22 1HB ARG 22 4.765 -2.427 4.452
159 HG2 ARG 22 2HG ARG 22 7.029 -3.226 4.416
160 HG3 ARG 22 1HG ARG 22 6.075 -4.298 5.442
161 HD2 ARG 22 2HD ARG 22 5.907 -5.914 3.621
162 HD3 ARG 22 1HD ARG 22 6.788 -4.821 2.558
163 HE ARG 22 HE ARG 22 8.349 -5.306 4.817
164 HH11 ARG 22 1HH1 ARG 22 7.102 -7.114 2.031
165 HH12 ARG 22 2HH1 ARG 22 8.416 -8.176 1.950
166 HH21 ARG 22 1HH2 ARG 22 10.173 -6.772 4.704
167 HH22 ARG 22 2HH2 ARG 22 10.198 -7.972 3.492
168 H LEU 23 H LEU 23 4.606 -3.814 6.342
169 HA LEU 23 HA LEU 23 2.245 -4.264 7.853
170 HB2 LEU 23 2HB LEU 23 4.598 -2.492 8.599
171 HB3 LEU 23 1HB LEU 23 3.420 -3.165 9.697
172 HG LEU 23 HG LEU 23 5.445 -4.762 8.132
173 HD11 LEU 23 1HD1 LEU 23 6.480 -3.422 9.875
174 HD12 LEU 23 2HD1 LEU 23 6.499 -5.132 10.304
175 HD13 LEU 23 3HD1 LEU 23 5.330 -4.048 11.057
176 HD21 LEU 23 3HD2 LEU 23 4.717 -6.635 9.543
177 HD22 LEU 23 1HD2 LEU 23 3.398 -6.031 8.541
178 HD23 LEU 23 2HD2 LEU 23 3.471 -5.613 10.253
179 H TRP 24 H TRP 24 3.739 -1.494 6.396
180 HA TRP 24 HA TRP 24 1.201 -0.079 6.440
181 HB2 TRP 24 2HB TRP 24 3.957 1.036 6.940
182 HB3 TRP 24 1HB TRP 24 2.635 2.046 6.399
183 HD1 TRP 24 HD TRP 24 0.534 2.254 8.149
184 HE1 TRP 24 1HE TRP 24 0.568 2.258 10.745
185 HE3 TRP 24 3HE TRP 24 5.081 0.149 8.844
186 HZ2 TRP 24 2HZ TRP 24 2.361 1.454 12.805
187 HZ3 TRP 24 3HZ TRP 24 5.917 -0.208 11.143
188 HH2 TRP 24 HH TRP 24 4.568 0.440 13.079
189 H CYS 25 H CYS 25 0.594 0.458 4.490
190 HA CYS 25 HA CYS 25 2.091 -0.087 2.127
191 HB2 CYS 25 2HB CYS 25 -0.277 1.731 2.561
192 HB3 CYS 25 1HB CYS 25 0.372 1.269 0.996
193 H LYS 26 H LYS 26 3.652 1.164 1.283
194 HA LYS 26 HA LYS 26 3.457 4.027 1.586
195 HB2 LYS 26 2HB LYS 26 5.867 2.469 2.518
196 HB3 LYS 26 1HB LYS 26 5.968 4.170 2.079
197 HG2 LYS 26 2HG LYS 26 4.211 4.643 3.768
198 HG3 LYS 26 1HG LYS 26 4.271 2.963 4.243
199 HD2 LYS 26 2HD LYS 26 6.671 4.766 4.311
200 HD3 LYS 26 1HD LYS 26 5.599 4.535 5.692
201 HE2 LYS 26 2HE LYS 26 6.037 2.111 5.533
202 HE3 LYS 26 1HE LYS 26 7.218 2.450 4.263
203 HZ1 LYS 26 3HZ LYS 26 7.336 3.468 7.048
204 HZ2 LYS 26 1HZ LYS 26 8.481 3.775 5.850
205 HZ3 LYS 26 2HZ LYS 26 8.265 2.211 6.441
206 H LYS 27 H LYS 27 4.571 5.209 0.074
207 HA LYS 27 HA LYS 27 4.765 3.816 -2.439
208 HB2 LYS 27 2HB LYS 27 4.989 6.057 -3.437
209 HB3 LYS 27 1HB LYS 27 3.591 5.951 -2.387
210 HG2 LYS 27 2HG LYS 27 4.854 7.138 -0.638
211 HG3 LYS 27 1HG LYS 27 6.221 7.274 -1.751
212 HD2 LYS 27 2HD LYS 27 4.773 8.480 -3.342
213 HD3 LYS 27 1HD LYS 27 3.452 8.385 -2.186
214 HE2 LYS 27 2HE LYS 27 4.798 9.675 -0.573
215 HE3 LYS 27 1HE LYS 27 6.085 9.794 -1.770
216 HZ1 LYS 27 3HZ LYS 27 4.759 11.794 -1.774
217 HZ2 LYS 27 1HZ LYS 27 3.349 10.931 -2.017
218 HZ3 LYS 27 2HZ LYS 27 4.507 10.999 -3.226
219 H LYS 28 H LYS 28 6.587 4.403 -3.927
220 HA LYS 28 HA LYS 28 9.048 3.742 -2.611
221 HB2 LYS 28 2HB LYS 28 8.447 4.346 -5.508
222 HB3 LYS 28 1HB LYS 28 10.061 3.988 -4.935
223 HG2 LYS 28 2HG LYS 28 9.158 2.013 -5.948
224 HG3 LYS 28 1HG LYS 28 9.249 1.740 -4.213
225 HD2 LYS 28 2HD LYS 28 6.851 2.189 -4.018
226 HD3 LYS 28 1HD LYS 28 6.776 2.521 -5.749
227 HE2 LYS 28 2HE LYS 28 7.601 -0.116 -4.540
228 HE3 LYS 28 1HE LYS 28 5.984 0.249 -5.125
229 HZ1 LYS 28 3HZ LYS 28 8.454 0.236 -6.782
230 HZ2 LYS 28 1HZ LYS 28 6.894 0.579 -7.327
231 HZ3 LYS 28 2HZ LYS 28 7.268 -0.957 -6.754
232 H LEU 29 H LEU 29 9.962 5.230 -1.490
233 HA LEU 29 HA LEU 29 10.305 7.885 -2.660
234 HB2 LEU 29 2HB LEU 29 10.309 8.767 -0.314
235 HB3 LEU 29 1HB LEU 29 8.774 8.167 -0.889
236 HG LEU 29 HG LEU 29 9.301 6.025 0.417
237 HD11 LEU 29 1HD1 LEU 29 11.666 6.373 0.811
238 HD12 LEU 29 2HD1 LEU 29 10.786 6.238 2.333
239 HD13 LEU 29 3HD1 LEU 29 11.313 7.819 1.758
240 HD21 LEU 29 3HD2 LEU 29 8.860 8.595 1.901
241 HD22 LEU 29 1HD2 LEU 29 8.476 6.980 2.494
242 HD23 LEU 29 2HD2 LEU 29 7.625 7.629 1.090
243 H TRP 30 H TRP 30 12.246 9.012 -2.081
244 HA TRP 30 HA TRP 30 14.406 7.227 -1.197
245 HB2 TRP 30 2HB TRP 30 14.525 9.404 -3.300
246 HB3 TRP 30 1HB TRP 30 15.930 8.555 -2.689
247 HD1 TRP 30 HD TRP 30 13.155 8.304 -5.129
248 HE1 TRP 30 1HE TRP 30 13.402 6.137 -6.543
249 HE3 TRP 30 3HE TRP 30 16.804 6.011 -2.421
250 HZ2 TRP 30 2HZ TRP 30 14.953 3.776 -6.478
251 HZ3 TRP 30 3HZ TRP 30 17.615 3.805 -3.147
252 HH2 TRP 30 HH TRP 30 16.705 2.716 -5.134
Start of MODEL 4
1 H1 TYR 1 H TYR 1 -11.659 2.265 0.233
2 HA TYR 1 HA TYR 1 -10.941 3.960 2.297
3 HB2 TYR 1 2HB TYR 1 -10.340 1.053 2.802
4 HB3 TYR 1 1HB TYR 1 -9.587 2.377 3.663
5 HD1 TYR 1 2HD TYR 1 -10.894 3.703 5.291
6 HD2 TYR 1 1HD TYR 1 -12.585 0.324 3.338
7 HE1 TYR 1 2HE TYR 1 -12.658 3.624 6.981
8 HE2 TYR 1 1HE TYR 1 -14.368 0.233 5.035
9 HH TYR 1 HH TYR 1 -14.952 2.762 7.222
10 H CYS 2 H CYS 2 -9.518 4.945 1.040
11 HA CYS 2 HA CYS 2 -7.651 3.352 -0.519
12 HB2 CYS 2 2HB CYS 2 -8.789 5.046 -1.802
13 HB3 CYS 2 1HB CYS 2 -8.299 6.287 -0.642
14 H GLN 3 H GLN 3 -5.599 3.642 -0.394
15 HA GLN 3 HA GLN 3 -4.659 4.140 2.310
16 HB2 GLN 3 2HB GLN 3 -3.333 2.793 -0.059
17 HB3 GLN 3 1HB GLN 3 -2.528 3.078 1.468
18 HG2 GLN 3 2HG GLN 3 -3.376 0.743 1.110
19 HG3 GLN 3 1HG GLN 3 -3.907 1.484 2.603
20 HE21 GLN 3 1HE2 GLN 3 -6.038 1.784 2.937
21 HE22 GLN 3 2HE2 GLN 3 -7.268 1.303 1.823
22 H LYS 4 H LYS 4 -4.192 6.213 2.618
23 HA LYS 4 HA LYS 4 -2.645 7.620 0.571
24 HB2 LYS 4 2HB LYS 4 -4.297 8.600 2.864
25 HB3 LYS 4 1HB LYS 4 -3.329 9.655 1.824
26 HG2 LYS 4 2HG LYS 4 -4.629 8.920 -0.110
27 HG3 LYS 4 1HG LYS 4 -5.581 7.868 0.941
28 HD2 LYS 4 2HD LYS 4 -5.300 10.792 1.282
29 HD3 LYS 4 1HD LYS 4 -6.632 10.057 0.368
30 HE2 LYS 4 2HE LYS 4 -5.997 9.641 3.310
31 HE3 LYS 4 1HE LYS 4 -7.332 10.578 2.656
32 HZ1 LYS 4 3HZ LYS 4 -8.062 8.417 3.376
33 HZ2 LYS 4 1HZ LYS 4 -7.022 7.612 2.321
34 HZ3 LYS 4 2HZ LYS 4 -8.287 8.562 1.733
35 H TRP 5 H TRP 5 -0.704 7.686 0.828
36 HA TRP 5 HA TRP 5 1.341 7.007 1.603
37 HB2 TRP 5 2HB TRP 5 0.671 9.321 2.853
38 HB3 TRP 5 1HB TRP 5 0.965 8.287 4.253
39 HD1 TRP 5 HD TRP 5 3.556 6.865 4.028
40 HE1 TRP 5 1HE TRP 5 5.773 7.907 3.266
41 HE3 TRP 5 3HE TRP 5 1.767 11.004 1.589
42 HZ2 TRP 5 2HZ TRP 5 6.666 10.139 1.843
43 HZ3 TRP 5 3HZ TRP 5 3.386 12.526 0.549
44 HH2 TRP 5 HH TRP 5 5.781 12.103 0.677
45 H MET 6 H MET 6 1.767 6.697 4.650
46 HA MET 6 HA MET 6 1.613 3.919 4.600
47 HB2 MET 6 2HB MET 6 2.236 3.976 7.008
48 HB3 MET 6 1HB MET 6 3.281 4.947 5.986
49 HG2 MET 6 2HG MET 6 2.186 6.962 6.783
50 HG3 MET 6 1HG MET 6 1.061 5.993 7.735
51 HE1 MET 6 3HE MET 6 1.709 7.435 9.913
52 HE2 MET 6 1HE MET 6 2.836 8.383 8.940
53 HE3 MET 6 2HE MET 6 3.370 7.664 10.458
54 H TRP 7 H TRP 7 -0.173 2.920 4.370
55 HA TRP 7 HA TRP 7 -2.152 3.003 6.543
56 HB2 TRP 7 2HB TRP 7 -2.678 3.030 3.580
57 HB3 TRP 7 1HB TRP 7 -3.807 2.223 4.656
58 HD1 TRP 7 HD TRP 7 -2.111 5.671 5.011
59 HE1 TRP 7 1HE TRP 7 -3.964 7.443 5.338
60 HE3 TRP 7 3HE TRP 7 -6.166 2.675 4.560
61 HZ2 TRP 7 2HZ TRP 7 -6.734 7.547 5.390
62 HZ3 TRP 7 3HZ TRP 7 -8.414 3.691 4.753
63 HH2 TRP 7 HH TRP 7 -8.666 6.096 5.157
64 H THR 8 H THR 8 -3.421 0.859 6.536
65 HA THR 8 HA THR 8 -1.397 -1.144 6.237
66 HB THR 8 HB THR 8 -3.174 -2.532 7.458
67 HG1 THR 8 1HG THR 8 -4.999 -1.527 7.498
68 HG21 THR 8 3HG2 THR 8 -2.601 -1.529 9.624
69 HG22 THR 8 1HG2 THR 8 -2.032 -0.078 8.801
70 HG23 THR 8 2HG2 THR 8 -1.190 -1.610 8.569
71 H CYS 9 H CYS 9 -1.787 -3.089 5.133
72 HA CYS 9 HA CYS 9 -3.812 -2.814 3.055
73 HB2 CYS 9 2HB CYS 9 -2.378 -4.402 1.749
74 HB3 CYS 9 1HB CYS 9 -1.616 -2.854 2.083
75 H ASP 10 H ASP 10 -4.414 -5.094 2.212
76 HA ASP 10 HA ASP 10 -4.628 -7.087 4.309
77 HB2 ASP 10 2HB ASP 10 -7.029 -5.808 2.943
78 HB3 ASP 10 1HB ASP 10 -7.078 -7.355 3.765
79 H SER 11 H SER 11 -6.142 -8.891 3.043
80 HA SER 11 HA SER 11 -4.587 -9.506 0.734
81 HB2 SER 11 2HB SER 11 -7.046 -10.853 1.874
82 HB3 SER 11 1HB SER 11 -5.950 -11.540 0.674
83 HG SER 11 HG SER 11 -4.275 -11.086 2.333
84 H GLU 12 H GLU 12 -7.784 -8.289 1.430
85 HA GLU 12 HA GLU 12 -8.563 -8.176 -1.342
86 HB2 GLU 12 2HB GLU 12 -9.797 -6.984 1.134
87 HB3 GLU 12 1HB GLU 12 -10.535 -6.958 -0.454
88 HG2 GLU 12 2HG GLU 12 -10.689 -9.370 -0.445
89 HG3 GLU 12 1HG GLU 12 -9.856 -9.439 1.106
90 H ARG 13 H ARG 13 -7.163 -6.116 1.053
91 HA ARG 13 HA ARG 13 -7.756 -3.699 -0.414
92 HB2 ARG 13 2HB ARG 13 -7.792 -3.917 2.103
93 HB3 ARG 13 1HB ARG 13 -6.038 -3.959 2.036
94 HG2 ARG 13 2HG ARG 13 -6.674 -1.736 2.554
95 HG3 ARG 13 1HG ARG 13 -6.123 -1.743 0.882
96 HD2 ARG 13 2HD ARG 13 -8.189 -0.425 1.181
97 HD3 ARG 13 1HD ARG 13 -8.415 -1.779 0.076
98 HE ARG 13 HE ARG 13 -9.087 -2.632 2.642
99 HH11 ARG 13 1HH1 ARG 13 -10.321 -0.322 0.301
100 HH12 ARG 13 2HH1 ARG 13 -11.955 -0.518 0.757
101 HH21 ARG 13 1HH2 ARG 13 -11.277 -2.908 3.269
102 HH22 ARG 13 2HH2 ARG 13 -12.533 -2.068 2.484
103 H LYS 14 H LYS 14 -6.541 -3.153 -2.040
104 HA LYS 14 HA LYS 14 -3.671 -3.633 -1.884
105 HB2 LYS 14 2HB LYS 14 -3.635 -3.339 -4.363
106 HB3 LYS 14 1HB LYS 14 -4.544 -4.734 -3.824
107 HG2 LYS 14 2HG LYS 14 -6.617 -3.526 -4.165
108 HG3 LYS 14 1HG LYS 14 -5.705 -2.109 -4.708
109 HD2 LYS 14 2HD LYS 14 -4.745 -3.467 -6.512
110 HD3 LYS 14 1HD LYS 14 -5.722 -4.838 -5.980
111 HE2 LYS 14 2HE LYS 14 -6.784 -2.182 -6.802
112 HE3 LYS 14 1HE LYS 14 -6.690 -3.577 -7.892
113 HZ1 LYS 14 3HZ LYS 14 -8.915 -3.323 -6.933
114 HZ2 LYS 14 1HZ LYS 14 -8.300 -3.415 -5.375
115 HZ3 LYS 14 2HZ LYS 14 -8.237 -4.751 -6.388
116 H CYS 15 H CYS 15 -2.304 -1.972 -1.998
117 HA CYS 15 HA CYS 15 -3.480 0.466 -1.080
118 HB2 CYS 15 2HB CYS 15 -0.621 -0.432 -1.271
119 HB3 CYS 15 1HB CYS 15 -1.174 1.039 -0.445
120 H CYS 16 H CYS 16 -3.742 2.265 -2.025
121 HA CYS 16 HA CYS 16 -3.806 2.711 -4.736
122 HB2 CYS 16 2HB CYS 16 -3.579 4.810 -2.589
123 HB3 CYS 16 1HB CYS 16 -4.276 5.000 -4.189
124 H GLU 17 H GLU 17 -2.681 4.121 -6.108
125 HA GLU 17 HA GLU 17 -1.054 5.206 -7.124
126 HB2 GLU 17 2HB GLU 17 -1.306 6.632 -4.973
127 HB3 GLU 17 1HB GLU 17 0.203 5.873 -4.475
128 HG2 GLU 17 2HG GLU 17 1.382 6.834 -6.322
129 HG3 GLU 17 1HG GLU 17 -0.114 7.419 -7.040
130 H GLY 18 H GLY 18 -0.657 2.389 -6.093
131 HA2 GLY 18 2HA GLY 18 0.878 0.791 -6.764
132 HA3 GLY 18 1HA GLY 18 1.932 2.091 -7.305
133 H MET 19 H MET 19 0.575 1.236 -4.155
134 HA MET 19 HA MET 19 3.255 1.494 -3.034
135 HB2 MET 19 2HB MET 19 0.605 1.057 -1.671
136 HB3 MET 19 1HB MET 19 2.150 1.262 -0.860
137 HG2 MET 19 2HG MET 19 2.311 3.500 -1.627
138 HG3 MET 19 1HG MET 19 0.862 3.311 -2.622
139 HE1 MET 19 3HE MET 19 1.176 5.705 -0.585
140 HE2 MET 19 1HE MET 19 -0.433 5.703 0.128
141 HE3 MET 19 2HE MET 19 -0.236 5.419 -1.603
142 H VAL 20 H VAL 20 3.972 -0.226 -1.546
143 HA VAL 20 HA VAL 20 3.121 -2.852 -2.490
144 HB VAL 20 HB VAL 20 5.514 -2.378 -2.756
145 HG11 VAL 20 1HG1 VAL 20 6.997 -2.105 -0.830
146 HG12 VAL 20 2HG1 VAL 20 5.584 -1.998 0.216
147 HG13 VAL 20 3HG1 VAL 20 5.862 -0.764 -1.015
148 HG21 VAL 20 3HG2 VAL 20 5.015 -4.423 -0.592
149 HG22 VAL 20 1HG2 VAL 20 6.474 -4.321 -1.579
150 HG23 VAL 20 2HG2 VAL 20 4.924 -4.688 -2.332
151 H CYS 21 H CYS 21 2.234 -4.324 -1.161
152 HA CYS 21 HA CYS 21 1.131 -3.519 1.348
153 HB2 CYS 21 2HB CYS 21 0.077 -5.179 -0.270
154 HB3 CYS 21 1HB CYS 21 1.461 -6.194 0.191
155 H ARG 22 H ARG 22 2.342 -3.388 3.077
156 HA ARG 22 HA ARG 22 4.260 -5.433 3.856
157 HB2 ARG 22 2HB ARG 22 4.482 -2.597 3.331
158 HB3 ARG 22 1HB ARG 22 5.606 -3.249 4.532
159 HG2 ARG 22 2HG ARG 22 5.307 -3.880 1.623
160 HG3 ARG 22 1HG ARG 22 6.639 -2.934 2.304
161 HD2 ARG 22 2HD ARG 22 7.602 -5.042 1.981
162 HD3 ARG 22 1HD ARG 22 7.052 -5.081 3.666
163 HE ARG 22 HE ARG 22 5.037 -6.084 2.012
164 HH11 ARG 22 1HH1 ARG 22 8.240 -7.028 3.189
165 HH12 ARG 22 2HH1 ARG 22 7.907 -8.705 3.107
166 HH21 ARG 22 1HH2 ARG 22 4.636 -8.364 1.826
167 HH22 ARG 22 2HH2 ARG 22 5.839 -9.472 2.296
168 H LEU 23 H LEU 23 5.063 -3.975 6.060
169 HA LEU 23 HA LEU 23 2.635 -3.582 7.589
170 HB2 LEU 23 2HB LEU 23 5.559 -3.249 8.360
171 HB3 LEU 23 1HB LEU 23 4.251 -2.817 9.432
172 HG LEU 23 HG LEU 23 3.521 -5.217 9.396
173 HD11 LEU 23 1HD1 LEU 23 4.577 -5.927 7.325
174 HD12 LEU 23 2HD1 LEU 23 5.076 -6.929 8.687
175 HD13 LEU 23 3HD1 LEU 23 6.169 -5.702 8.052
176 HD21 LEU 23 3HD2 LEU 23 4.781 -4.317 11.250
177 HD22 LEU 23 1HD2 LEU 23 6.296 -4.640 10.407
178 HD23 LEU 23 2HD2 LEU 23 5.274 -5.979 10.926
179 H TRP 24 H TRP 24 1.645 -1.979 6.631
180 HA TRP 24 HA TRP 24 0.975 0.036 6.135
181 HB2 TRP 24 2HB TRP 24 3.490 1.002 7.490
182 HB3 TRP 24 1HB TRP 24 2.446 2.088 6.595
183 HD1 TRP 24 HD TRP 24 0.000 2.583 7.666
184 HE1 TRP 24 1HE TRP 24 -0.837 2.422 10.108
185 HE3 TRP 24 3HE TRP 24 3.697 -0.281 9.535
186 HZ2 TRP 24 2HZ TRP 24 0.002 1.211 12.522
187 HZ3 TRP 24 3HZ TRP 24 3.645 -0.932 11.938
188 HH2 TRP 24 HH TRP 24 1.815 -0.186 13.385
189 H CYS 25 H CYS 25 0.721 0.380 4.212
190 HA CYS 25 HA CYS 25 2.717 0.006 2.234
191 HB2 CYS 25 2HB CYS 25 -0.064 1.159 2.119
192 HB3 CYS 25 1HB CYS 25 0.938 0.852 0.709
193 H LYS 26 H LYS 26 4.223 1.454 1.852
194 HA LYS 26 HA LYS 26 3.555 4.286 2.092
195 HB2 LYS 26 2HB LYS 26 6.268 2.921 2.218
196 HB3 LYS 26 1HB LYS 26 5.973 4.646 2.316
197 HG2 LYS 26 2HG LYS 26 4.885 4.427 4.416
198 HG3 LYS 26 1HG LYS 26 4.893 2.672 4.297
199 HD2 LYS 26 2HD LYS 26 6.616 3.340 5.842
200 HD3 LYS 26 1HD LYS 26 7.375 2.722 4.387
201 HE2 LYS 26 2HE LYS 26 6.961 5.669 4.860
202 HE3 LYS 26 1HE LYS 26 8.374 4.823 5.471
203 HZ1 LYS 26 3HZ LYS 26 7.626 5.152 2.590
204 HZ2 LYS 26 1HZ LYS 26 8.920 4.232 3.163
205 HZ3 LYS 26 2HZ LYS 26 8.901 5.878 3.397
206 H LYS 27 H LYS 27 4.357 5.540 0.309
207 HA LYS 27 HA LYS 27 4.409 3.878 -2.067
208 HB2 LYS 27 2HB LYS 27 3.849 5.917 -3.295
209 HB3 LYS 27 1HB LYS 27 2.662 5.523 -2.070
210 HG2 LYS 27 2HG LYS 27 3.709 7.234 -0.607
211 HG3 LYS 27 1HG LYS 27 4.750 7.678 -1.969
212 HD2 LYS 27 2HD LYS 27 2.674 7.960 -3.328
213 HD3 LYS 27 1HD LYS 27 1.764 7.760 -1.841
214 HE2 LYS 27 2HE LYS 27 2.811 9.719 -0.903
215 HE3 LYS 27 1HE LYS 27 3.828 9.882 -2.340
216 HZ1 LYS 27 3HZ LYS 27 2.015 11.352 -2.644
217 HZ2 LYS 27 1HZ LYS 27 0.889 10.155 -2.181
218 HZ3 LYS 27 2HZ LYS 27 1.725 9.993 -3.625
219 H LYS 28 H LYS 28 5.796 4.509 -3.825
220 HA LYS 28 HA LYS 28 8.402 4.849 -2.687
221 HB2 LYS 28 2HB LYS 28 9.208 4.089 -4.955
222 HB3 LYS 28 1HB LYS 28 8.266 2.930 -4.033
223 HG2 LYS 28 2HG LYS 28 6.290 3.520 -5.373
224 HG3 LYS 28 1HG LYS 28 7.295 4.601 -6.343
225 HD2 LYS 28 2HD LYS 28 8.662 2.707 -7.032
226 HD3 LYS 28 1HD LYS 28 7.703 1.630 -6.014
227 HE2 LYS 28 2HE LYS 28 6.965 1.442 -8.307
228 HE3 LYS 28 1HE LYS 28 5.708 2.198 -7.337
229 HZ1 LYS 28 3HZ LYS 28 7.613 3.634 -9.098
230 HZ2 LYS 28 1HZ LYS 28 6.397 4.363 -8.213
231 HZ3 LYS 28 2HZ LYS 28 6.014 3.321 -9.472
232 H LEU 29 H LEU 29 8.938 6.806 -2.357
233 HA LEU 29 HA LEU 29 8.725 8.789 -4.484
234 HB2 LEU 29 2HB LEU 29 9.794 8.980 -1.657
235 HB3 LEU 29 1HB LEU 29 9.938 10.277 -2.813
236 HG LEU 29 HG LEU 29 7.413 10.345 -2.896
237 HD11 LEU 29 1HD1 LEU 29 6.178 9.391 -1.040
238 HD12 LEU 29 2HD1 LEU 29 7.644 8.596 -0.469
239 HD13 LEU 29 3HD1 LEU 29 6.940 8.135 -2.019
240 HD21 LEU 29 3HD2 LEU 29 7.225 11.590 -0.814
241 HD22 LEU 29 1HD2 LEU 29 8.721 11.967 -1.664
242 HD23 LEU 29 2HD2 LEU 29 8.750 10.901 -0.259
243 H TRP 30 H TRP 30 10.836 6.544 -3.099
244 HA TRP 30 HA TRP 30 13.212 7.759 -4.295
245 HB2 TRP 30 2HB TRP 30 13.071 5.192 -2.709
246 HB3 TRP 30 1HB TRP 30 14.499 6.154 -3.047
247 HD1 TRP 30 HD TRP 30 12.850 5.253 -0.204
248 HE1 TRP 30 1HE TRP 30 12.636 7.080 1.600
249 HE3 TRP 30 3HE TRP 30 13.763 9.389 -3.071
250 HZ2 TRP 30 2HZ TRP 30 12.820 9.857 1.797
251 HZ3 TRP 30 3HZ TRP 30 13.718 11.596 -1.985
252 HH2 TRP 30 HH TRP 30 13.255 11.821 0.394
Start of MODEL 5
1 H1 TYR 1 H TYR 1 -11.771 4.590 1.383
2 HA TYR 1 HA TYR 1 -10.420 2.908 3.362
3 HB2 TYR 1 2HB TYR 1 -11.886 2.194 0.822
4 HB3 TYR 1 1HB TYR 1 -11.085 1.051 1.885
5 HD1 TYR 1 1HD TYR 1 -12.009 0.696 4.194
6 HD2 TYR 1 2HD TYR 1 -14.068 2.951 1.240
7 HE1 TYR 1 1HE TYR 1 -14.096 0.409 5.439
8 HE2 TYR 1 2HE TYR 1 -16.152 2.681 2.473
9 HH TYR 1 HH TYR 1 -16.319 1.582 5.634
10 H CYS 2 H CYS 2 -9.533 5.045 1.344
11 HA CYS 2 HA CYS 2 -7.699 3.448 -0.247
12 HB2 CYS 2 2HB CYS 2 -8.753 5.113 -1.497
13 HB3 CYS 2 1HB CYS 2 -8.343 6.377 -0.317
14 H GLN 3 H GLN 3 -5.681 3.561 -0.125
15 HA GLN 3 HA GLN 3 -4.610 4.184 2.503
16 HB2 GLN 3 2HB GLN 3 -3.433 2.628 0.186
17 HB3 GLN 3 1HB GLN 3 -2.529 3.015 1.632
18 HG2 GLN 3 2HG GLN 3 -3.403 0.697 1.570
19 HG3 GLN 3 1HG GLN 3 -3.932 1.582 2.982
20 HE21 GLN 3 1HE2 GLN 3 -6.073 2.052 3.206
21 HE22 GLN 3 2HE2 GLN 3 -7.304 1.397 2.202
22 H LYS 4 H LYS 4 -4.201 6.331 2.559
23 HA LYS 4 HA LYS 4 -2.544 7.427 0.416
24 HB2 LYS 4 2HB LYS 4 -4.131 8.756 2.590
25 HB3 LYS 4 1HB LYS 4 -3.086 9.643 1.464
26 HG2 LYS 4 2HG LYS 4 -4.535 8.569 -0.363
27 HG3 LYS 4 1HG LYS 4 -5.646 8.162 0.946
28 HD2 LYS 4 2HD LYS 4 -4.640 10.907 0.290
29 HD3 LYS 4 1HD LYS 4 -6.216 10.276 -0.188
30 HE2 LYS 4 2HE LYS 4 -6.886 10.107 2.129
31 HE3 LYS 4 1HE LYS 4 -5.274 10.572 2.670
32 HZ1 LYS 4 3HZ LYS 4 -5.604 12.712 1.550
33 HZ2 LYS 4 1HZ LYS 4 -6.724 12.463 2.772
34 HZ3 LYS 4 2HZ LYS 4 -7.176 12.295 1.162
35 H TRP 5 H TRP 5 -0.537 7.355 0.700
36 HA TRP 5 HA TRP 5 1.488 6.929 1.603
37 HB2 TRP 5 2HB TRP 5 1.105 9.297 2.364
38 HB3 TRP 5 1HB TRP 5 0.482 8.684 3.886
39 HD1 TRP 5 HD TRP 5 3.628 7.111 2.358
40 HE1 TRP 5 1HE TRP 5 5.657 7.731 3.828
41 HE3 TRP 5 3HE TRP 5 1.364 10.433 5.476
42 HZ2 TRP 5 2HZ TRP 5 6.211 9.409 6.027
43 HZ3 TRP 5 3HZ TRP 5 2.702 11.511 7.251
44 HH2 TRP 5 HH TRP 5 5.081 11.001 7.512
45 H MET 6 H MET 6 1.951 6.676 4.618
46 HA MET 6 HA MET 6 1.718 3.916 4.690
47 HB2 MET 6 2HB MET 6 2.427 4.127 7.097
48 HB3 MET 6 1HB MET 6 3.478 4.906 5.925
49 HG2 MET 6 2HG MET 6 2.426 7.064 6.517
50 HG3 MET 6 1HG MET 6 1.472 6.221 7.739
51 HE1 MET 6 3HE MET 6 4.093 8.253 9.832
52 HE2 MET 6 1HE MET 6 2.382 7.956 9.537
53 HE3 MET 6 2HE MET 6 3.363 8.747 8.305
54 H TRP 7 H TRP 7 -0.046 2.910 4.595
55 HA TRP 7 HA TRP 7 -2.020 3.124 6.768
56 HB2 TRP 7 2HB TRP 7 -2.582 3.121 3.814
57 HB3 TRP 7 1HB TRP 7 -3.727 2.404 4.933
58 HD1 TRP 7 HD TRP 7 -1.871 5.782 5.133
59 HE1 TRP 7 1HE TRP 7 -3.639 7.645 5.406
60 HE3 TRP 7 3HE TRP 7 -6.045 2.927 4.876
61 HZ2 TRP 7 2HZ TRP 7 -6.438 7.857 5.461
62 HZ3 TRP 7 3HZ TRP 7 -8.250 4.027 5.022
63 HH2 TRP 7 HH TRP 7 -8.414 6.459 5.303
64 H THR 8 H THR 8 -3.420 1.094 6.737
65 HA THR 8 HA THR 8 -1.600 -1.091 6.727
66 HB THR 8 HB THR 8 -3.786 -2.265 7.548
67 HG1 THR 8 1HG THR 8 -5.231 -0.619 6.887
68 HG21 THR 8 3HG2 THR 8 -2.489 -0.017 9.113
69 HG22 THR 8 1HG2 THR 8 -1.885 -1.669 8.998
70 HG23 THR 8 2HG2 THR 8 -3.413 -1.346 9.813
71 H CYS 9 H CYS 9 -1.852 -3.063 5.508
72 HA CYS 9 HA CYS 9 -3.584 -2.725 3.164
73 HB2 CYS 9 2HB CYS 9 -2.000 -4.038 1.860
74 HB3 CYS 9 1HB CYS 9 -1.249 -2.592 2.512
75 H ASP 10 H ASP 10 -4.286 -4.715 2.171
76 HA ASP 10 HA ASP 10 -4.251 -7.067 3.868
77 HB2 ASP 10 2HB ASP 10 -6.717 -5.707 2.746
78 HB3 ASP 10 1HB ASP 10 -6.699 -7.423 3.107
79 H SER 11 H SER 11 -5.422 -8.835 2.344
80 HA SER 11 HA SER 11 -3.789 -8.859 0.006
81 HB2 SER 11 2HB SER 11 -4.348 -10.927 1.317
82 HB3 SER 11 1HB SER 11 -6.026 -10.755 0.808
83 HG SER 11 HG SER 11 -3.744 -11.351 -0.699
84 H GLU 12 H GLU 12 -7.225 -8.521 0.753
85 HA GLU 12 HA GLU 12 -8.022 -8.122 -1.946
86 HB2 GLU 12 2HB GLU 12 -9.401 -7.548 0.663
87 HB3 GLU 12 1HB GLU 12 -10.165 -7.330 -0.903
88 HG2 GLU 12 2HG GLU 12 -9.152 -9.911 0.270
89 HG3 GLU 12 1HG GLU 12 -10.838 -9.432 0.072
90 H ARG 13 H ARG 13 -7.469 -5.970 0.804
91 HA ARG 13 HA ARG 13 -8.149 -3.634 -0.707
92 HB2 ARG 13 2HB ARG 13 -8.419 -3.905 1.804
93 HB3 ARG 13 1HB ARG 13 -6.676 -3.725 1.921
94 HG2 ARG 13 2HG ARG 13 -7.648 -1.606 2.394
95 HG3 ARG 13 1HG ARG 13 -6.901 -1.506 0.802
96 HD2 ARG 13 2HD ARG 13 -9.108 -0.435 0.830
97 HD3 ARG 13 1HD ARG 13 -9.088 -1.818 -0.263
98 HE ARG 13 HE ARG 13 -9.931 -2.763 2.189
99 HH11 ARG 13 1HH1 ARG 13 -11.186 -0.458 -0.191
100 HH12 ARG 13 2HH1 ARG 13 -12.808 -0.708 0.269
101 HH21 ARG 13 1HH2 ARG 13 -12.096 -3.058 2.785
102 HH22 ARG 13 2HH2 ARG 13 -13.354 -2.184 2.020
103 H LYS 14 H LYS 14 -6.876 -2.865 -2.192
104 HA LYS 14 HA LYS 14 -4.002 -3.364 -2.133
105 HB2 LYS 14 2HB LYS 14 -5.833 -2.356 -4.315
106 HB3 LYS 14 1HB LYS 14 -4.090 -2.455 -4.477
107 HG2 LYS 14 2HG LYS 14 -5.935 -4.793 -3.999
108 HG3 LYS 14 1HG LYS 14 -5.238 -4.332 -5.553
109 HD2 LYS 14 2HD LYS 14 -2.969 -4.627 -4.522
110 HD3 LYS 14 1HD LYS 14 -3.769 -5.273 -3.090
111 HE2 LYS 14 2HE LYS 14 -3.965 -6.402 -5.876
112 HE3 LYS 14 1HE LYS 14 -2.960 -7.052 -4.593
113 HZ1 LYS 14 3HZ LYS 14 -5.932 -6.935 -4.617
114 HZ2 LYS 14 1HZ LYS 14 -5.016 -7.523 -3.322
115 HZ3 LYS 14 2HZ LYS 14 -4.985 -8.289 -4.800
116 H CYS 15 H CYS 15 -2.590 -1.819 -1.794
117 HA CYS 15 HA CYS 15 -3.525 0.655 -0.779
118 HB2 CYS 15 2HB CYS 15 -0.778 -0.467 -1.207
119 HB3 CYS 15 1HB CYS 15 -1.107 1.050 -0.338
120 H CYS 16 H CYS 16 -3.861 2.405 -1.808
121 HA CYS 16 HA CYS 16 -3.962 2.832 -4.494
122 HB2 CYS 16 2HB CYS 16 -3.605 4.875 -2.325
123 HB3 CYS 16 1HB CYS 16 -4.274 5.188 -3.921
124 H GLU 17 H GLU 17 -2.789 3.884 -6.036
125 HA GLU 17 HA GLU 17 -1.130 4.783 -7.190
126 HB2 GLU 17 2HB GLU 17 -0.898 6.360 -5.184
127 HB3 GLU 17 1HB GLU 17 0.403 5.320 -4.625
128 HG2 GLU 17 2HG GLU 17 1.563 5.754 -6.808
129 HG3 GLU 17 1HG GLU 17 0.316 6.944 -7.157
130 H GLY 18 H GLY 18 -1.172 1.998 -5.889
131 HA2 GLY 18 2HA GLY 18 -0.039 0.054 -6.425
132 HA3 GLY 18 1HA GLY 18 1.064 1.033 -7.381
133 H MET 19 H MET 19 0.231 0.621 -3.974
134 HA MET 19 HA MET 19 3.053 1.026 -3.302
135 HB2 MET 19 2HB MET 19 0.660 0.753 -1.494
136 HB3 MET 19 1HB MET 19 2.301 1.083 -0.974
137 HG2 MET 19 2HG MET 19 2.242 3.199 -2.144
138 HG3 MET 19 1HG MET 19 0.598 2.860 -2.686
139 HE1 MET 19 3HE MET 19 0.045 5.664 -0.029
140 HE2 MET 19 1HE MET 19 -0.241 5.153 -1.693
141 HE3 MET 19 2HE MET 19 1.398 5.521 -1.151
142 H VAL 20 H VAL 20 4.015 -0.389 -1.710
143 HA VAL 20 HA VAL 20 3.538 -3.175 -2.354
144 HB VAL 20 HB VAL 20 5.597 -1.990 -0.469
145 HG11 VAL 20 1HG1 VAL 20 5.268 -4.387 -0.222
146 HG12 VAL 20 2HG1 VAL 20 6.860 -4.028 -0.889
147 HG13 VAL 20 3HG1 VAL 20 5.575 -4.613 -1.944
148 HG21 VAL 20 3HG2 VAL 20 5.885 -0.945 -2.645
149 HG22 VAL 20 1HG2 VAL 20 5.891 -2.528 -3.422
150 HG23 VAL 20 2HG2 VAL 20 7.202 -2.076 -2.334
151 H CYS 21 H CYS 21 2.431 -4.522 -1.008
152 HA CYS 21 HA CYS 21 1.214 -3.543 1.400
153 HB2 CYS 21 2HB CYS 21 0.227 -5.344 -0.138
154 HB3 CYS 21 1HB CYS 21 1.578 -6.311 0.483
155 H ARG 22 H ARG 22 2.202 -3.443 3.254
156 HA ARG 22 HA ARG 22 4.236 -5.315 4.108
157 HB2 ARG 22 2HB ARG 22 4.369 -2.460 3.518
158 HB3 ARG 22 1HB ARG 22 5.502 -3.099 4.726
159 HG2 ARG 22 2HG ARG 22 5.181 -3.880 1.859
160 HG3 ARG 22 1HG ARG 22 6.431 -2.745 2.394
161 HD2 ARG 22 2HD ARG 22 6.177 -5.654 3.213
162 HD3 ARG 22 1HD ARG 22 7.266 -5.052 1.965
163 HE ARG 22 HE ARG 22 7.772 -3.616 4.275
164 HH11 ARG 22 1HH1 ARG 22 8.138 -6.947 3.117
165 HH12 ARG 22 2HH1 ARG 22 9.426 -7.311 4.166
166 HH21 ARG 22 1HH2 ARG 22 9.551 -4.111 5.683
167 HH22 ARG 22 2HH2 ARG 22 10.275 -5.650 5.641
168 H LEU 23 H LEU 23 4.879 -3.890 6.290
169 HA LEU 23 HA LEU 23 2.349 -3.462 7.644
170 HB2 LEU 23 2HB LEU 23 5.175 -3.126 8.697
171 HB3 LEU 23 1HB LEU 23 3.719 -2.991 9.660
172 HG LEU 23 HG LEU 23 4.716 -5.492 8.308
173 HD11 LEU 23 1HD1 LEU 23 6.068 -4.860 10.212
174 HD12 LEU 23 2HD1 LEU 23 5.104 -6.290 10.577
175 HD13 LEU 23 3HD1 LEU 23 4.621 -4.716 11.211
176 HD21 LEU 23 3HD2 LEU 23 2.286 -5.479 8.385
177 HD22 LEU 23 1HD2 LEU 23 2.330 -5.065 10.101
178 HD23 LEU 23 2HD2 LEU 23 2.929 -6.630 9.555
179 H TRP 24 H TRP 24 1.473 -1.818 6.734
180 HA TRP 24 HA TRP 24 0.908 0.203 6.235
181 HB2 TRP 24 2HB TRP 24 3.352 1.051 7.775
182 HB3 TRP 24 1HB TRP 24 2.387 2.208 6.868
183 HD1 TRP 24 HD TRP 24 -0.128 2.604 7.692
184 HE1 TRP 24 1HE TRP 24 -1.259 2.255 10.005
185 HE3 TRP 24 3HE TRP 24 3.406 -0.280 9.800
186 HZ2 TRP 24 2HZ TRP 24 -0.652 0.917 12.435
187 HZ3 TRP 24 3HZ TRP 24 3.110 -1.084 12.141
188 HH2 TRP 24 HH TRP 24 1.112 -0.483 13.416
189 H CYS 25 H CYS 25 0.710 0.339 4.278
190 HA CYS 25 HA CYS 25 2.757 -0.028 2.359
191 HB2 CYS 25 2HB CYS 25 0.002 1.153 2.126
192 HB3 CYS 25 1HB CYS 25 1.061 0.837 0.761
193 H LYS 26 H LYS 26 3.906 1.402 1.270
194 HA LYS 26 HA LYS 26 3.490 4.239 1.754
195 HB2 LYS 26 2HB LYS 26 6.097 2.705 1.847
196 HB3 LYS 26 1HB LYS 26 5.971 4.458 1.823
197 HG2 LYS 26 2HG LYS 26 5.027 4.537 3.969
198 HG3 LYS 26 1HG LYS 26 4.646 2.817 3.954
199 HD2 LYS 26 2HD LYS 26 6.553 3.279 5.401
200 HD3 LYS 26 1HD LYS 26 7.008 2.285 4.023
201 HE2 LYS 26 2HE LYS 26 7.925 4.256 2.899
202 HE3 LYS 26 1HE LYS 26 7.448 5.249 4.279
203 HZ1 LYS 26 3HZ LYS 26 9.796 4.580 4.330
204 HZ2 LYS 26 1HZ LYS 26 9.332 2.968 4.430
205 HZ3 LYS 26 2HZ LYS 26 8.943 4.030 5.669
206 H LYS 27 H LYS 27 4.319 5.487 0.002
207 HA LYS 27 HA LYS 27 3.785 4.298 -2.517
208 HB2 LYS 27 2HB LYS 27 4.318 6.505 -3.439
209 HB3 LYS 27 1HB LYS 27 3.234 6.631 -2.067
210 HG2 LYS 27 2HG LYS 27 5.413 7.084 -0.718
211 HG3 LYS 27 1HG LYS 27 6.101 7.451 -2.300
212 HD2 LYS 27 2HD LYS 27 3.682 8.759 -1.041
213 HD3 LYS 27 1HD LYS 27 5.270 9.485 -1.249
214 HE2 LYS 27 2HE LYS 27 3.529 8.561 -3.538
215 HE3 LYS 27 1HE LYS 27 3.524 10.200 -2.907
216 HZ1 LYS 27 3HZ LYS 27 4.884 9.932 -4.856
217 HZ2 LYS 27 1HZ LYS 27 5.881 8.830 -4.063
218 HZ3 LYS 27 2HZ LYS 27 5.809 10.437 -3.533
219 H LYS 28 H LYS 28 5.366 4.599 -4.410
220 HA LYS 28 HA LYS 28 7.470 2.836 -3.836
221 HB2 LYS 28 2HB LYS 28 6.854 4.386 -6.316
222 HB3 LYS 28 1HB LYS 28 8.177 3.235 -6.189
223 HG2 LYS 28 2HG LYS 28 6.638 1.424 -5.798
224 HG3 LYS 28 1HG LYS 28 5.275 2.542 -5.737
225 HD2 LYS 28 2HD LYS 28 5.647 3.152 -8.059
226 HD3 LYS 28 1HD LYS 28 7.057 2.098 -8.130
227 HE2 LYS 28 2HE LYS 28 4.265 1.145 -7.524
228 HE3 LYS 28 1HE LYS 28 4.962 1.151 -9.139
229 HZ1 LYS 28 3HZ LYS 28 6.662 -0.368 -8.382
230 HZ2 LYS 28 1HZ LYS 28 5.146 -1.004 -8.077
231 HZ3 LYS 28 2HZ LYS 28 6.031 -0.377 -6.809
232 H LEU 29 H LEU 29 8.582 3.822 -2.330
233 HA LEU 29 HA LEU 29 10.592 5.813 -3.156
234 HB2 LEU 29 2HB LEU 29 10.066 4.565 -0.442
235 HB3 LEU 29 1HB LEU 29 11.184 5.872 -0.769
236 HG LEU 29 HG LEU 29 8.182 6.053 -1.059
237 HD11 LEU 29 1HD1 LEU 29 8.840 5.821 1.269
238 HD12 LEU 29 2HD1 LEU 29 8.269 7.455 0.933
239 HD13 LEU 29 3HD1 LEU 29 9.997 7.138 1.085
240 HD21 LEU 29 3HD2 LEU 29 8.581 8.455 -1.284
241 HD22 LEU 29 1HD2 LEU 29 9.370 7.550 -2.574
242 HD23 LEU 29 2HD2 LEU 29 10.322 8.176 -1.226
243 H TRP 30 H TRP 30 9.912 2.617 -3.062
244 HA TRP 30 HA TRP 30 12.383 1.679 -3.883
245 HB2 TRP 30 2HB TRP 30 12.909 1.822 -1.439
246 HB3 TRP 30 1HB TRP 30 11.514 0.805 -1.105
247 HD1 TRP 30 HD TRP 30 12.074 -1.674 -0.829
248 HE1 TRP 30 1HE TRP 30 13.973 -3.236 -1.602
249 HE3 TRP 30 3HE TRP 30 14.754 1.631 -3.680
250 HZ2 TRP 30 2HZ TRP 30 16.283 -3.088 -3.215
251 HZ3 TRP 30 3HZ TRP 30 16.787 0.835 -4.804
252 HH2 TRP 30 HH TRP 30 17.531 -1.481 -4.571
Start of MODEL 6
1 H1 TYR 1 H TYR 1 -10.651 4.657 1.396
2 HA TYR 1 HA TYR 1 -11.041 2.119 1.495
3 HB2 TYR 1 2HB TYR 1 -12.474 2.261 -0.590
4 HB3 TYR 1 1HB TYR 1 -11.022 2.644 -1.496
5 HD1 TYR 1 2HD TYR 1 -9.351 0.863 -1.983
6 HD2 TYR 1 1HD TYR 1 -12.912 0.011 0.194
7 HE1 TYR 1 2HE TYR 1 -8.999 -1.545 -2.347
8 HE2 TYR 1 1HE TYR 1 -12.569 -2.380 -0.163
9 HH TYR 1 HH TYR 1 -9.702 -3.740 -1.210
10 H CYS 2 H CYS 2 -9.355 4.444 -0.454
11 HA CYS 2 HA CYS 2 -7.013 2.873 -0.743
12 HB2 CYS 2 2HB CYS 2 -7.629 5.700 -1.518
13 HB3 CYS 2 1HB CYS 2 -6.045 4.973 -1.745
14 H GLN 3 H GLN 3 -5.024 3.227 -0.096
15 HA GLN 3 HA GLN 3 -4.706 4.008 2.661
16 HB2 GLN 3 2HB GLN 3 -3.088 2.581 0.572
17 HB3 GLN 3 1HB GLN 3 -2.330 3.053 2.062
18 HG2 GLN 3 2HG GLN 3 -3.045 0.666 1.972
19 HG3 GLN 3 1HG GLN 3 -3.773 1.528 3.314
20 HE21 GLN 3 1HE2 GLN 3 -5.951 1.844 3.342
21 HE22 GLN 3 2HE2 GLN 3 -7.027 1.121 2.220
22 H LYS 4 H LYS 4 -4.350 6.229 2.910
23 HA LYS 4 HA LYS 4 -2.881 7.698 0.852
24 HB2 LYS 4 2HB LYS 4 -3.775 8.626 3.606
25 HB3 LYS 4 1HB LYS 4 -3.072 9.648 2.377
26 HG2 LYS 4 2HG LYS 4 -5.360 10.121 2.403
27 HG3 LYS 4 1HG LYS 4 -5.124 9.120 0.973
28 HD2 LYS 4 2HD LYS 4 -5.969 7.189 2.179
29 HD3 LYS 4 1HD LYS 4 -6.118 8.149 3.652
30 HE2 LYS 4 2HE LYS 4 -8.281 7.925 2.596
31 HE3 LYS 4 1HE LYS 4 -7.743 9.595 2.517
32 HZ1 LYS 4 3HZ LYS 4 -8.726 8.755 0.442
33 HZ2 LYS 4 1HZ LYS 4 -7.445 7.672 0.280
34 HZ3 LYS 4 2HZ LYS 4 -7.156 9.326 0.238
35 H TRP 5 H TRP 5 -0.803 7.453 0.777
36 HA TRP 5 HA TRP 5 1.309 6.753 1.350
37 HB2 TRP 5 2HB TRP 5 1.284 9.150 2.117
38 HB3 TRP 5 1HB TRP 5 0.786 8.607 3.709
39 HD1 TRP 5 HD TRP 5 3.617 6.820 1.746
40 HE1 TRP 5 1HE TRP 5 5.807 7.109 3.052
41 HE3 TRP 5 3HE TRP 5 1.993 10.033 5.354
42 HZ2 TRP 5 2HZ TRP 5 6.736 8.501 5.310
43 HZ3 TRP 5 3HZ TRP 5 3.606 10.802 7.068
44 HH2 TRP 5 HH TRP 5 5.923 10.042 7.036
45 H MET 6 H MET 6 1.865 6.736 4.430
46 HA MET 6 HA MET 6 1.820 3.935 4.535
47 HB2 MET 6 2HB MET 6 2.698 4.127 6.853
48 HB3 MET 6 1HB MET 6 3.615 5.025 5.656
49 HG2 MET 6 2HG MET 6 2.607 7.094 6.432
50 HG3 MET 6 1HG MET 6 1.612 6.192 7.577
51 HE1 MET 6 3HE MET 6 2.463 7.735 9.560
52 HE2 MET 6 1HE MET 6 3.461 8.647 8.428
53 HE3 MET 6 2HE MET 6 4.167 8.018 9.918
54 H TRP 7 H TRP 7 0.068 2.881 4.571
55 HA TRP 7 HA TRP 7 -1.692 3.065 6.934
56 HB2 TRP 7 2HB TRP 7 -2.594 3.081 4.061
57 HB3 TRP 7 1HB TRP 7 -3.609 2.327 5.274
58 HD1 TRP 7 HD TRP 7 -1.792 5.712 5.565
59 HE1 TRP 7 1HE TRP 7 -3.535 7.554 5.913
60 HE3 TRP 7 3HE TRP 7 -5.991 2.893 5.111
61 HZ2 TRP 7 2HZ TRP 7 -6.350 7.786 5.973
62 HZ3 TRP 7 3HZ TRP 7 -8.177 3.994 5.312
63 HH2 TRP 7 HH TRP 7 -8.341 6.410 5.731
64 H THR 8 H THR 8 -3.229 0.950 6.844
65 HA THR 8 HA THR 8 -1.358 -1.211 6.390
66 HB THR 8 HB THR 8 -3.228 -2.462 7.709
67 HG1 THR 8 1HG THR 8 -4.090 -0.706 9.212
68 HG21 THR 8 3HG2 THR 8 -1.518 -0.348 9.034
69 HG22 THR 8 1HG2 THR 8 -0.968 -1.954 8.561
70 HG23 THR 8 2HG2 THR 8 -2.185 -1.782 9.817
71 H CYS 9 H CYS 9 -1.916 -3.101 5.230
72 HA CYS 9 HA CYS 9 -4.169 -2.762 3.391
73 HB2 CYS 9 2HB CYS 9 -2.730 -3.905 1.725
74 HB3 CYS 9 1HB CYS 9 -2.119 -2.331 2.234
75 H ASP 10 H ASP 10 -4.471 -5.002 2.202
76 HA ASP 10 HA ASP 10 -4.332 -7.276 4.011
77 HB2 ASP 10 2HB ASP 10 -6.937 -6.160 2.882
78 HB3 ASP 10 1HB ASP 10 -6.778 -7.751 3.596
79 H SER 11 H SER 11 -5.965 -8.933 2.442
80 HA SER 11 HA SER 11 -4.371 -9.279 0.123
81 HB2 SER 11 2HB SER 11 -7.009 -10.573 0.872
82 HB3 SER 11 1HB SER 11 -5.810 -11.209 -0.252
83 HG SER 11 HG SER 11 -4.345 -11.029 1.642
84 H GLU 12 H GLU 12 -7.791 -8.431 0.666
85 HA GLU 12 HA GLU 12 -8.228 -7.621 -2.048
86 HB2 GLU 12 2HB GLU 12 -9.855 -7.329 0.463
87 HB3 GLU 12 1HB GLU 12 -10.396 -6.759 -1.109
88 HG2 GLU 12 2HG GLU 12 -9.669 -9.593 -0.463
89 HG3 GLU 12 1HG GLU 12 -11.318 -8.961 -0.508
90 H ARG 13 H ARG 13 -7.224 -6.127 0.864
91 HA ARG 13 HA ARG 13 -7.728 -3.472 -0.153
92 HB2 ARG 13 2HB ARG 13 -7.942 -4.062 2.302
93 HB3 ARG 13 1HB ARG 13 -6.196 -4.222 2.318
94 HG2 ARG 13 2HG ARG 13 -6.685 -2.063 3.122
95 HG3 ARG 13 1HG ARG 13 -6.038 -1.899 1.497
96 HD2 ARG 13 2HD ARG 13 -7.974 -0.436 1.872
97 HD3 ARG 13 1HD ARG 13 -8.247 -1.592 0.574
98 HE ARG 13 HE ARG 13 -9.393 -2.930 2.454
99 HH11 ARG 13 1HH1 ARG 13 -9.464 0.590 2.195
100 HH12 ARG 13 2HH1 ARG 13 -11.010 0.713 2.916
101 HH21 ARG 13 1HH2 ARG 13 -11.525 -2.699 3.408
102 HH22 ARG 13 2HH2 ARG 13 -12.168 -1.124 3.605
103 H LYS 14 H LYS 14 -6.446 -2.960 -1.679
104 HA LYS 14 HA LYS 14 -3.608 -3.552 -1.404
105 HB2 LYS 14 2HB LYS 14 -3.451 -3.312 -3.892
106 HB3 LYS 14 1HB LYS 14 -4.377 -4.697 -3.347
107 HG2 LYS 14 2HG LYS 14 -6.442 -3.545 -3.868
108 HG3 LYS 14 1HG LYS 14 -5.536 -2.105 -4.343
109 HD2 LYS 14 2HD LYS 14 -4.445 -3.360 -6.124
110 HD3 LYS 14 1HD LYS 14 -5.290 -4.824 -5.618
111 HE2 LYS 14 2HE LYS 14 -7.417 -3.818 -6.174
112 HE3 LYS 14 1HE LYS 14 -6.622 -2.304 -6.607
113 HZ1 LYS 14 3HZ LYS 14 -7.126 -3.593 -8.577
114 HZ2 LYS 14 1HZ LYS 14 -6.278 -4.920 -7.981
115 HZ3 LYS 14 2HZ LYS 14 -5.469 -3.511 -8.372
116 H CYS 15 H CYS 15 -2.227 -2.005 -1.392
117 HA CYS 15 HA CYS 15 -3.040 0.543 -0.639
118 HB2 CYS 15 2HB CYS 15 -0.326 -0.151 -1.679
119 HB3 CYS 15 1HB CYS 15 -0.809 0.968 -0.394
120 H CYS 16 H CYS 16 -3.707 2.130 -1.882
121 HA CYS 16 HA CYS 16 -3.657 1.946 -4.700
122 HB2 CYS 16 2HB CYS 16 -4.559 4.184 -2.906
123 HB3 CYS 16 1HB CYS 16 -4.776 4.184 -4.653
124 H GLU 17 H GLU 17 -2.930 3.622 -6.175
125 HA GLU 17 HA GLU 17 -1.390 4.832 -7.204
126 HB2 GLU 17 2HB GLU 17 -1.620 6.396 -5.202
127 HB3 GLU 17 1HB GLU 17 -0.250 5.573 -4.479
128 HG2 GLU 17 2HG GLU 17 1.195 6.333 -6.264
129 HG3 GLU 17 1HG GLU 17 -0.174 7.058 -7.100
130 H GLY 18 H GLY 18 -1.068 2.069 -6.138
131 HA2 GLY 18 2HA GLY 18 0.389 0.341 -6.561
132 HA3 GLY 18 1HA GLY 18 1.409 1.494 -7.409
133 H MET 19 H MET 19 0.357 1.233 -4.061
134 HA MET 19 HA MET 19 3.132 1.633 -3.267
135 HB2 MET 19 2HB MET 19 0.580 1.758 -1.650
136 HB3 MET 19 1HB MET 19 2.187 1.991 -0.976
137 HG2 MET 19 2HG MET 19 2.477 3.917 -2.474
138 HG3 MET 19 1HG MET 19 0.818 3.707 -3.030
139 HE1 MET 19 3HE MET 19 1.878 6.453 -1.921
140 HE2 MET 19 1HE MET 19 0.561 6.932 -0.850
141 HE3 MET 19 2HE MET 19 0.203 6.198 -2.412
142 H VAL 20 H VAL 20 4.045 0.281 -1.607
143 HA VAL 20 HA VAL 20 3.426 -2.458 -2.249
144 HB VAL 20 HB VAL 20 5.784 -1.705 -2.187
145 HG11 VAL 20 1HG1 VAL 20 5.721 -0.108 -0.387
146 HG12 VAL 20 2HG1 VAL 20 6.953 -1.329 -0.075
147 HG13 VAL 20 3HG1 VAL 20 5.411 -1.395 0.779
148 HG21 VAL 20 3HG2 VAL 20 5.111 -3.863 -0.189
149 HG22 VAL 20 1HG2 VAL 20 6.710 -3.604 -0.891
150 HG23 VAL 20 2HG2 VAL 20 5.357 -4.059 -1.922
151 H CYS 21 H CYS 21 2.467 -3.911 -1.040
152 HA CYS 21 HA CYS 21 1.078 -3.030 1.329
153 HB2 CYS 21 2HB CYS 21 0.002 -4.447 -0.451
154 HB3 CYS 21 1HB CYS 21 1.252 -5.626 0.011
155 H ARG 22 H ARG 22 2.201 -3.033 3.102
156 HA ARG 22 HA ARG 22 3.611 -5.399 3.994
157 HB2 ARG 22 2HB ARG 22 4.517 -2.671 3.552
158 HB3 ARG 22 1HB ARG 22 5.322 -3.559 4.869
159 HG2 ARG 22 2HG ARG 22 5.277 -3.916 1.913
160 HG3 ARG 22 1HG ARG 22 6.710 -3.637 2.905
161 HD2 ARG 22 2HD ARG 22 5.050 -6.156 2.663
162 HD3 ARG 22 1HD ARG 22 6.729 -5.933 2.193
163 HE ARG 22 HE ARG 22 6.966 -5.471 4.739
164 HH11 ARG 22 1HH1 ARG 22 5.062 -7.993 3.135
165 HH12 ARG 22 2HH1 ARG 22 5.084 -9.062 4.461
166 HH21 ARG 22 1HH2 ARG 22 7.005 -6.967 6.564
167 HH22 ARG 22 2HH2 ARG 22 6.203 -8.460 6.457
168 H LEU 23 H LEU 23 4.521 -3.818 6.292
169 HA LEU 23 HA LEU 23 2.232 -3.898 7.984
170 HB2 LEU 23 2HB LEU 23 4.806 -2.349 8.396
171 HB3 LEU 23 1HB LEU 23 3.613 -2.683 9.619
172 HG LEU 23 HG LEU 23 5.211 -4.828 8.227
173 HD11 LEU 23 1HD1 LEU 23 6.470 -4.952 10.321
174 HD12 LEU 23 2HD1 LEU 23 5.582 -3.553 10.931
175 HD13 LEU 23 3HD1 LEU 23 6.660 -3.378 9.547
176 HD21 LEU 23 3HD2 LEU 23 4.388 -6.219 10.077
177 HD22 LEU 23 1HD2 LEU 23 3.063 -5.586 9.098
178 HD23 LEU 23 2HD2 LEU 23 3.434 -4.858 10.660
179 H TRP 24 H TRP 24 3.905 -1.406 6.258
180 HA TRP 24 HA TRP 24 1.498 0.212 6.336
181 HB2 TRP 24 2HB TRP 24 4.310 1.157 6.827
182 HB3 TRP 24 1HB TRP 24 3.087 2.232 6.178
183 HD1 TRP 24 HD TRP 24 0.837 2.503 7.855
184 HE1 TRP 24 1HE TRP 24 0.837 2.749 10.454
185 HE3 TRP 24 3HE TRP 24 5.428 0.576 8.852
186 HZ2 TRP 24 2HZ TRP 24 2.579 2.208 12.591
187 HZ3 TRP 24 3HZ TRP 24 6.198 0.474 11.192
188 HH2 TRP 24 HH TRP 24 4.795 1.280 13.011
189 H CYS 25 H CYS 25 0.844 0.623 4.419
190 HA CYS 25 HA CYS 25 2.244 0.001 2.043
191 HB2 CYS 25 2HB CYS 25 -0.069 1.889 2.465
192 HB3 CYS 25 1HB CYS 25 0.489 1.232 0.933
193 H LYS 26 H LYS 26 3.754 1.176 1.099
194 HA LYS 26 HA LYS 26 3.693 4.067 1.197
195 HB2 LYS 26 2HB LYS 26 6.112 2.377 1.876
196 HB3 LYS 26 1HB LYS 26 6.205 4.077 1.462
197 HG2 LYS 26 2HG LYS 26 4.883 4.623 3.433
198 HG3 LYS 26 1HG LYS 26 4.773 2.909 3.834
199 HD2 LYS 26 2HD LYS 26 7.185 2.775 4.068
200 HD3 LYS 26 1HD LYS 26 7.345 4.464 3.593
201 HE2 LYS 26 2HE LYS 26 6.147 5.168 5.560
202 HE3 LYS 26 1HE LYS 26 5.837 3.493 6.013
203 HZ1 LYS 26 3HZ LYS 26 8.529 4.741 5.826
204 HZ2 LYS 26 1HZ LYS 26 8.191 3.158 6.305
205 HZ3 LYS 26 2HZ LYS 26 7.674 4.445 7.246
206 H LYS 27 H LYS 27 5.079 4.886 -0.623
207 HA LYS 27 HA LYS 27 4.595 3.060 -2.799
208 HB2 LYS 27 2HB LYS 27 5.000 4.968 -4.287
209 HB3 LYS 27 1HB LYS 27 3.725 5.288 -3.131
210 HG2 LYS 27 2HG LYS 27 5.466 6.529 -1.781
211 HG3 LYS 27 1HG LYS 27 6.510 6.379 -3.201
212 HD2 LYS 27 2HD LYS 27 3.783 7.661 -3.129
213 HD3 LYS 27 1HD LYS 27 5.324 8.512 -3.215
214 HE2 LYS 27 2HE LYS 27 5.762 7.559 -5.401
215 HE3 LYS 27 1HE LYS 27 4.300 6.580 -5.297
216 HZ1 LYS 27 3HZ LYS 27 2.977 8.563 -5.287
217 HZ2 LYS 27 1HZ LYS 27 3.987 8.558 -6.640
218 HZ3 LYS 27 2HZ LYS 27 4.372 9.542 -5.349
219 H LYS 28 H LYS 28 6.316 3.454 -4.710
220 HA LYS 28 HA LYS 28 8.502 1.939 -3.696
221 HB2 LYS 28 2HB LYS 28 8.062 3.010 -6.480
222 HB3 LYS 28 1HB LYS 28 9.268 1.827 -6.019
223 HG2 LYS 28 2HG LYS 28 6.270 1.475 -6.031
224 HG3 LYS 28 1HG LYS 28 7.449 0.697 -7.081
225 HD2 LYS 28 2HD LYS 28 8.402 -0.405 -5.041
226 HD3 LYS 28 1HD LYS 28 7.061 0.279 -4.121
227 HE2 LYS 28 2HE LYS 28 6.869 -1.635 -6.439
228 HE3 LYS 28 1HE LYS 28 6.554 -2.002 -4.746
229 HZ1 LYS 28 3HZ LYS 28 4.536 -1.694 -5.984
230 HZ2 LYS 28 1HZ LYS 28 4.979 -0.152 -6.462
231 HZ3 LYS 28 2HZ LYS 28 4.634 -0.482 -4.837
232 H LEU 29 H LEU 29 10.638 2.421 -3.678
233 HA LEU 29 HA LEU 29 11.389 5.131 -4.367
234 HB2 LEU 29 2HB LEU 29 12.970 5.288 -2.499
235 HB3 LEU 29 1HB LEU 29 11.338 5.106 -1.922
236 HG LEU 29 HG LEU 29 13.339 2.836 -1.983
237 HD11 LEU 29 1HD1 LEU 29 12.624 4.718 0.244
238 HD12 LEU 29 2HD1 LEU 29 14.168 4.644 -0.605
239 HD13 LEU 29 3HD1 LEU 29 13.647 3.288 0.404
240 HD21 LEU 29 3HD2 LEU 29 11.841 1.816 -0.342
241 HD22 LEU 29 1HD2 LEU 29 10.969 2.161 -1.836
242 HD23 LEU 29 2HD2 LEU 29 10.771 3.214 -0.437
243 H TRP 30 H TRP 30 12.014 4.406 -6.331
244 HA TRP 30 HA TRP 30 14.574 3.009 -6.348
245 HB2 TRP 30 2HB TRP 30 12.848 1.259 -6.690
246 HB3 TRP 30 1HB TRP 30 12.203 2.178 -8.040
247 HD1 TRP 30 HD TRP 30 13.264 1.786 -10.322
248 HE1 TRP 30 1HE TRP 30 15.213 0.344 -11.218
249 HE3 TRP 30 3HE TRP 30 15.246 0.318 -5.870
250 HZ2 TRP 30 2HZ TRP 30 17.311 -1.232 -10.137
251 HZ3 TRP 30 3HZ TRP 30 17.215 -1.158 -5.872
252 HH2 TRP 30 HH TRP 30 18.223 -1.914 -7.964
Start of MODEL 7
1 H1 TYR 1 H TYR 1 -10.256 6.380 1.965
2 HA TYR 1 HA TYR 1 -11.619 4.419 2.059
3 HB2 TYR 1 2HB TYR 1 -13.094 5.071 0.218
4 HB3 TYR 1 1HB TYR 1 -11.784 4.862 -0.932
5 HD1 TYR 1 2HD TYR 1 -14.149 3.092 1.274
6 HD2 TYR 1 1HD TYR 1 -11.215 2.690 -1.780
7 HE1 TYR 1 2HE TYR 1 -14.843 0.771 0.918
8 HE2 TYR 1 1HE TYR 1 -11.890 0.380 -2.146
9 HH TYR 1 HH TYR 1 -13.014 -1.440 -0.869
10 H CYS 2 H CYS 2 -9.239 5.260 -0.349
11 HA CYS 2 HA CYS 2 -8.060 2.641 0.022
12 HB2 CYS 2 2HB CYS 2 -8.488 3.404 -2.329
13 HB3 CYS 2 1HB CYS 2 -7.306 4.682 -2.096
14 H GLN 3 H GLN 3 -5.600 2.745 -0.200
15 HA GLN 3 HA GLN 3 -4.889 3.794 2.306
16 HB2 GLN 3 2HB GLN 3 -3.738 1.810 0.402
17 HB3 GLN 3 1HB GLN 3 -2.731 2.418 1.698
18 HG2 GLN 3 2HG GLN 3 -3.823 0.285 2.197
19 HG3 GLN 3 1HG GLN 3 -4.221 1.519 3.366
20 HE21 GLN 3 1HE2 GLN 3 -6.042 0.943 4.014
21 HE22 GLN 3 2HE2 GLN 3 -7.466 0.809 3.059
22 H LYS 4 H LYS 4 -4.178 5.922 2.150
23 HA LYS 4 HA LYS 4 -2.344 6.662 0.001
24 HB2 LYS 4 2HB LYS 4 -4.002 8.330 1.854
25 HB3 LYS 4 1HB LYS 4 -2.824 8.989 0.722
26 HG2 LYS 4 2HG LYS 4 -4.051 8.029 -1.145
27 HG3 LYS 4 1HG LYS 4 -5.199 7.320 -0.002
28 HD2 LYS 4 2HD LYS 4 -4.614 10.200 -0.037
29 HD3 LYS 4 1HD LYS 4 -5.818 9.525 -1.152
30 HE2 LYS 4 2HE LYS 4 -5.867 9.320 1.885
31 HE3 LYS 4 1HE LYS 4 -6.888 10.377 0.916
32 HZ1 LYS 4 3HZ LYS 4 -6.930 7.393 0.843
33 HZ2 LYS 4 1HZ LYS 4 -7.842 8.422 -0.132
34 HZ3 LYS 4 2HZ LYS 4 -8.095 8.404 1.533
35 H TRP 5 H TRP 5 -0.415 6.525 0.461
36 HA TRP 5 HA TRP 5 1.607 6.340 1.511
37 HB2 TRP 5 2HB TRP 5 1.137 8.808 1.864
38 HB3 TRP 5 1HB TRP 5 0.488 8.406 3.443
39 HD1 TRP 5 HD TRP 5 3.844 6.722 2.312
40 HE1 TRP 5 1HE TRP 5 5.713 7.666 3.750
41 HE3 TRP 5 3HE TRP 5 1.244 10.398 4.774
42 HZ2 TRP 5 2HZ TRP 5 6.092 9.692 5.673
43 HZ3 TRP 5 3HZ TRP 5 2.463 11.788 6.411
44 HH2 TRP 5 HH TRP 5 4.835 11.433 6.844
45 H MET 6 H MET 6 1.787 6.689 4.564
46 HA MET 6 HA MET 6 1.874 3.944 5.046
47 HB2 MET 6 2HB MET 6 2.271 4.549 7.442
48 HB3 MET 6 1HB MET 6 3.312 5.377 6.294
49 HG2 MET 6 2HG MET 6 1.988 7.400 6.498
50 HG3 MET 6 1HG MET 6 0.845 6.575 7.547
51 HE1 MET 6 3HE MET 6 4.792 6.336 7.556
52 HE2 MET 6 1HE MET 6 5.197 7.589 8.730
53 HE3 MET 6 2HE MET 6 4.470 8.029 7.185
54 H TRP 7 H TRP 7 0.141 2.746 4.882
55 HA TRP 7 HA TRP 7 -1.968 2.957 6.925
56 HB2 TRP 7 2HB TRP 7 -2.454 2.673 3.942
57 HB3 TRP 7 1HB TRP 7 -3.608 2.139 5.142
58 HD1 TRP 7 HD TRP 7 -1.798 5.572 4.980
59 HE1 TRP 7 1HE TRP 7 -3.591 7.415 4.794
60 HE3 TRP 7 3HE TRP 7 -5.965 2.649 4.718
61 HZ2 TRP 7 2HZ TRP 7 -6.371 7.601 4.557
62 HZ3 TRP 7 3HZ TRP 7 -8.149 3.729 4.492
63 HH2 TRP 7 HH TRP 7 -8.345 6.160 4.409
64 H THR 8 H THR 8 -3.221 0.767 6.993
65 HA THR 8 HA THR 8 -1.339 -1.370 6.573
66 HB THR 8 HB THR 8 -3.234 -2.668 7.747
67 HG1 THR 8 1HG THR 8 -4.961 -1.347 7.655
68 HG21 THR 8 3HG2 THR 8 -2.533 -1.852 9.955
69 HG22 THR 8 1HG2 THR 8 -1.859 -0.410 9.195
70 HG23 THR 8 2HG2 THR 8 -1.158 -1.988 8.855
71 H CYS 9 H CYS 9 -1.872 -3.262 5.367
72 HA CYS 9 HA CYS 9 -3.966 -2.820 3.361
73 HB2 CYS 9 2HB CYS 9 -2.485 -4.180 1.824
74 HB3 CYS 9 1HB CYS 9 -1.876 -2.586 2.256
75 H ASP 10 H ASP 10 -4.462 -5.064 2.211
76 HA ASP 10 HA ASP 10 -4.272 -7.406 3.902
77 HB2 ASP 10 2HB ASP 10 -6.384 -6.147 4.675
78 HB3 ASP 10 1HB ASP 10 -6.979 -6.305 3.026
79 H SER 11 H SER 11 -5.941 -9.025 2.393
80 HA SER 11 HA SER 11 -4.642 -8.984 -0.190
81 HB2 SER 11 2HB SER 11 -4.970 -11.143 1.040
82 HB3 SER 11 1HB SER 11 -6.711 -10.899 0.964
83 HG SER 11 HG SER 11 -6.648 -11.829 -0.881
84 H GLU 12 H GLU 12 -7.723 -8.325 1.326
85 HA GLU 12 HA GLU 12 -9.176 -7.997 -1.140
86 HB2 GLU 12 2HB GLU 12 -9.956 -6.927 1.566
87 HB3 GLU 12 1HB GLU 12 -11.001 -7.304 0.209
88 HG2 GLU 12 2HG GLU 12 -9.587 -9.201 2.040
89 HG3 GLU 12 1HG GLU 12 -11.320 -8.969 1.849
90 H ARG 13 H ARG 13 -7.404 -6.071 1.096
91 HA ARG 13 HA ARG 13 -8.249 -3.594 -0.226
92 HB2 ARG 13 2HB ARG 13 -8.746 -3.904 2.205
93 HB3 ARG 13 1HB ARG 13 -7.018 -3.974 2.494
94 HG2 ARG 13 2HG ARG 13 -7.765 -1.792 3.024
95 HG3 ARG 13 1HG ARG 13 -6.826 -1.708 1.544
96 HD2 ARG 13 2HD ARG 13 -8.878 -0.331 1.438
97 HD3 ARG 13 1HD ARG 13 -8.810 -1.585 0.204
98 HE ARG 13 HE ARG 13 -10.306 -2.884 1.723
99 HH11 ARG 13 1HH1 ARG 13 -10.349 0.685 1.925
100 HH12 ARG 13 2HH1 ARG 13 -11.997 0.756 2.246
101 HH21 ARG 13 1HH2 ARG 13 -12.538 -2.752 2.123
102 HH22 ARG 13 2HH2 ARG 13 -13.317 -1.257 2.339
103 H LYS 14 H LYS 14 -6.773 -2.907 -1.600
104 HA LYS 14 HA LYS 14 -3.938 -3.485 -1.085
105 HB2 LYS 14 2HB LYS 14 -5.346 -3.127 -3.733
106 HB3 LYS 14 1HB LYS 14 -3.602 -3.278 -3.551
107 HG2 LYS 14 2HG LYS 14 -3.870 -5.499 -2.604
108 HG3 LYS 14 1HG LYS 14 -5.623 -5.350 -2.728
109 HD2 LYS 14 2HD LYS 14 -5.424 -5.156 -5.160
110 HD3 LYS 14 1HD LYS 14 -3.672 -5.313 -5.024
111 HE2 LYS 14 2HE LYS 14 -3.900 -7.531 -4.096
112 HE3 LYS 14 1HE LYS 14 -5.654 -7.374 -4.079
113 HZ1 LYS 14 3HZ LYS 14 -3.933 -7.414 -6.499
114 HZ2 LYS 14 1HZ LYS 14 -5.609 -7.209 -6.490
115 HZ3 LYS 14 2HZ LYS 14 -4.940 -8.664 -5.965
116 H CYS 15 H CYS 15 -2.422 -1.842 -2.021
117 HA CYS 15 HA CYS 15 -3.508 0.688 -1.127
118 HB2 CYS 15 2HB CYS 15 -0.652 -0.279 -1.138
119 HB3 CYS 15 1HB CYS 15 -1.244 1.226 -0.417
120 H CYS 16 H CYS 16 -3.820 2.248 -2.426
121 HA CYS 16 HA CYS 16 -3.373 2.018 -5.194
122 HB2 CYS 16 2HB CYS 16 -4.336 4.369 -3.575
123 HB3 CYS 16 1HB CYS 16 -4.399 4.255 -5.329
124 H GLU 17 H GLU 17 -2.459 3.791 -6.529
125 HA GLU 17 HA GLU 17 -0.891 5.247 -7.212
126 HB2 GLU 17 2HB GLU 17 -1.670 6.503 -5.143
127 HB3 GLU 17 1HB GLU 17 -0.339 5.768 -4.276
128 HG2 GLU 17 2HG GLU 17 1.252 6.945 -5.660
129 HG3 GLU 17 1HG GLU 17 -0.051 7.600 -6.651
130 H GLY 18 H GLY 18 -0.431 2.436 -6.468
131 HA2 GLY 18 2HA GLY 18 1.275 0.938 -6.831
132 HA3 GLY 18 1HA GLY 18 2.309 2.304 -7.222
133 H MET 19 H MET 19 0.580 1.613 -4.216
134 HA MET 19 HA MET 19 3.148 1.881 -2.895
135 HB2 MET 19 2HB MET 19 0.358 2.010 -1.769
136 HB3 MET 19 1HB MET 19 1.825 2.135 -0.801
137 HG2 MET 19 2HG MET 19 2.515 4.073 -2.066
138 HG3 MET 19 1HG MET 19 1.052 3.983 -3.041
139 HE1 MET 19 3HE MET 19 1.984 6.632 -1.583
140 HE2 MET 19 1HE MET 19 0.429 7.197 -0.993
141 HE3 MET 19 2HE MET 19 0.550 6.469 -2.595
142 H VAL 20 H VAL 20 4.017 0.420 -1.651
143 HA VAL 20 HA VAL 20 3.306 -2.270 -2.337
144 HB VAL 20 HB VAL 20 5.658 -1.585 -2.368
145 HG11 VAL 20 1HG1 VAL 20 5.404 -1.218 0.607
146 HG12 VAL 20 2HG1 VAL 20 5.702 0.040 -0.591
147 HG13 VAL 20 3HG1 VAL 20 6.921 -1.195 -0.288
148 HG21 VAL 20 3HG2 VAL 20 6.633 -3.477 -1.108
149 HG22 VAL 20 1HG2 VAL 20 5.192 -3.946 -2.012
150 HG23 VAL 20 2HG2 VAL 20 5.095 -3.688 -0.272
151 H CYS 21 H CYS 21 2.277 -3.701 -1.143
152 HA CYS 21 HA CYS 21 1.146 -3.024 1.381
153 HB2 CYS 21 2HB CYS 21 0.010 -4.538 -0.217
154 HB3 CYS 21 1HB CYS 21 1.339 -5.677 -0.072
155 H ARG 22 H ARG 22 2.227 -3.051 3.197
156 HA ARG 22 HA ARG 22 4.409 -4.950 3.697
157 HB2 ARG 22 2HB ARG 22 4.884 -2.481 2.679
158 HB3 ARG 22 1HB ARG 22 4.749 -2.068 4.375
159 HG2 ARG 22 2HG ARG 22 7.049 -2.357 3.887
160 HG3 ARG 22 1HG ARG 22 6.541 -3.766 4.821
161 HD2 ARG 22 2HD ARG 22 6.413 -5.110 2.831
162 HD3 ARG 22 1HD ARG 22 6.713 -3.702 1.809
163 HE ARG 22 HE ARG 22 8.812 -3.913 3.590
164 HH11 ARG 22 1HH1 ARG 22 7.532 -5.840 0.881
165 HH12 ARG 22 2HH1 ARG 22 9.054 -6.479 0.479
166 HH21 ARG 22 1HH2 ARG 22 10.848 -4.800 3.011
167 HH22 ARG 22 2HH2 ARG 22 10.985 -5.885 1.701
168 H LEU 23 H LEU 23 5.035 -3.437 6.157
169 HA LEU 23 HA LEU 23 2.802 -4.094 7.815
170 HB2 LEU 23 2HB LEU 23 5.158 -2.276 8.427
171 HB3 LEU 23 1HB LEU 23 4.036 -2.914 9.600
172 HG LEU 23 HG LEU 23 5.990 -4.544 7.984
173 HD11 LEU 23 1HD1 LEU 23 7.114 -4.888 10.124
174 HD12 LEU 23 2HD1 LEU 23 5.962 -3.806 10.905
175 HD13 LEU 23 3HD1 LEU 23 7.075 -3.179 9.687
176 HD21 LEU 23 3HD2 LEU 23 5.294 -6.378 9.508
177 HD22 LEU 23 1HD2 LEU 23 3.999 -5.828 8.441
178 HD23 LEU 23 2HD2 LEU 23 4.024 -5.321 10.123
179 H TRP 24 H TRP 24 4.101 -1.275 6.295
180 HA TRP 24 HA TRP 24 1.496 0.002 6.445
181 HB2 TRP 24 2HB TRP 24 4.191 1.270 6.924
182 HB3 TRP 24 1HB TRP 24 2.807 2.213 6.429
183 HD1 TRP 24 HD TRP 24 0.843 2.522 8.255
184 HE1 TRP 24 1HE TRP 24 0.932 2.384 10.834
185 HE3 TRP 24 3HE TRP 24 5.224 0.081 8.735
186 HZ2 TRP 24 2HZ TRP 24 2.659 1.355 12.804
187 HZ3 TRP 24 3HZ TRP 24 6.068 -0.472 11.000
188 HH2 TRP 24 HH TRP 24 4.792 0.169 12.992
189 H CYS 25 H CYS 25 0.852 0.414 4.467
190 HA CYS 25 HA CYS 25 2.526 -0.001 2.234
191 HB2 CYS 25 2HB CYS 25 -0.157 1.341 2.486
192 HB3 CYS 25 1HB CYS 25 0.668 1.087 0.949
193 H LYS 26 H LYS 26 3.705 1.319 1.133
194 HA LYS 26 HA LYS 26 3.736 4.182 1.697
195 HB2 LYS 26 2HB LYS 26 6.138 2.339 1.772
196 HB3 LYS 26 1HB LYS 26 6.165 4.088 1.891
197 HG2 LYS 26 2HG LYS 26 5.252 4.060 4.064
198 HG3 LYS 26 1HG LYS 26 4.735 2.379 3.909
199 HD2 LYS 26 2HD LYS 26 6.707 2.490 5.305
200 HD3 LYS 26 1HD LYS 26 7.098 1.685 3.790
201 HE2 LYS 26 2HE LYS 26 8.909 3.144 4.111
202 HE3 LYS 26 1HE LYS 26 7.824 4.003 3.006
203 HZ1 LYS 26 3HZ LYS 26 7.888 4.442 5.914
204 HZ2 LYS 26 1HZ LYS 26 7.028 5.355 4.783
205 HZ3 LYS 26 2HZ LYS 26 8.708 5.390 4.803
206 H LYS 27 H LYS 27 4.791 5.261 -0.076
207 HA LYS 27 HA LYS 27 4.871 3.650 -2.503
208 HB2 LYS 27 2HB LYS 27 4.891 5.804 -3.693
209 HB3 LYS 27 1HB LYS 27 3.485 5.689 -2.657
210 HG2 LYS 27 2HG LYS 27 4.729 7.072 -0.969
211 HG3 LYS 27 1HG LYS 27 5.991 7.290 -2.180
212 HD2 LYS 27 2HD LYS 27 3.097 8.124 -2.460
213 HD3 LYS 27 1HD LYS 27 4.455 9.192 -2.129
214 HE2 LYS 27 2HE LYS 27 5.425 8.653 -4.301
215 HE3 LYS 27 1HE LYS 27 4.118 7.513 -4.612
216 HZ1 LYS 27 3HZ LYS 27 3.789 10.438 -4.243
217 HZ2 LYS 27 1HZ LYS 27 2.549 9.316 -4.503
218 HZ3 LYS 27 2HZ LYS 27 3.697 9.598 -5.708
219 H LYS 28 H LYS 28 6.750 3.638 -3.754
220 HA LYS 28 HA LYS 28 9.128 4.205 -2.221
221 HB2 LYS 28 2HB LYS 28 8.781 2.932 -4.939
222 HB3 LYS 28 1HB LYS 28 10.304 3.070 -4.070
223 HG2 LYS 28 2HG LYS 28 7.898 1.600 -3.039
224 HG3 LYS 28 1HG LYS 28 9.213 0.805 -3.911
225 HD2 LYS 28 2HD LYS 28 9.478 2.325 -1.295
226 HD3 LYS 28 1HD LYS 28 9.384 0.574 -1.437
227 HE2 LYS 28 2HE LYS 28 11.446 0.581 -2.779
228 HE3 LYS 28 1HE LYS 28 11.527 2.332 -2.620
229 HZ1 LYS 28 3HZ LYS 28 11.709 0.394 -0.373
230 HZ2 LYS 28 1HZ LYS 28 11.818 2.083 -0.238
231 HZ3 LYS 28 2HZ LYS 28 12.988 1.214 -1.085
232 H LEU 29 H LEU 29 9.156 6.283 -2.166
233 HA LEU 29 HA LEU 29 8.737 7.894 -4.513
234 HB2 LEU 29 2HB LEU 29 7.826 8.543 -2.309
235 HB3 LEU 29 1HB LEU 29 9.455 8.747 -1.710
236 HG LEU 29 HG LEU 29 9.783 10.606 -3.311
237 HD11 LEU 29 1HD1 LEU 29 7.845 11.546 -4.464
238 HD12 LEU 29 2HD1 LEU 29 6.863 10.186 -3.921
239 HD13 LEU 29 3HD1 LEU 29 8.205 9.917 -5.033
240 HD21 LEU 29 3HD2 LEU 29 9.057 11.047 -1.026
241 HD22 LEU 29 1HD2 LEU 29 7.373 10.874 -1.519
242 HD23 LEU 29 2HD2 LEU 29 8.343 12.206 -2.150
243 H TRP 30 H TRP 30 10.533 6.938 -5.628
244 HA TRP 30 HA TRP 30 12.744 8.661 -5.800
245 HB2 TRP 30 2HB TRP 30 13.475 7.336 -3.781
246 HB3 TRP 30 1HB TRP 30 13.360 5.887 -4.768
247 HD1 TRP 30 HD TRP 30 14.923 9.158 -5.775
248 HE1 TRP 30 1HE TRP 30 17.424 8.765 -6.366
249 HE3 TRP 30 3HE TRP 30 15.196 4.275 -4.527
250 HZ2 TRP 30 2HZ TRP 30 19.258 6.562 -6.272
251 HZ3 TRP 30 3HZ TRP 30 17.323 3.079 -4.784
252 HH2 TRP 30 HH TRP 30 19.309 4.204 -5.642
Start of MODEL 8
1 H1 TYR 1 H TYR 1 -11.261 4.270 2.099
2 HA TYR 1 HA TYR 1 -10.210 2.120 1.642
3 HB2 TYR 1 2HB TYR 1 -11.102 1.691 -0.675
4 HB3 TYR 1 1HB TYR 1 -12.271 2.338 0.465
5 HD1 TYR 1 2HD TYR 1 -10.284 3.059 -2.560
6 HD2 TYR 1 1HD TYR 1 -13.255 4.500 0.111
7 HE1 TYR 1 2HE TYR 1 -10.878 4.808 -4.169
8 HE2 TYR 1 1HE TYR 1 -13.861 6.239 -1.486
9 HH TYR 1 HH TYR 1 -12.745 6.216 -4.717
10 H CYS 2 H CYS 2 -8.897 4.825 0.250
11 HA CYS 2 HA CYS 2 -6.830 3.187 -0.944
12 HB2 CYS 2 2HB CYS 2 -7.802 5.868 -1.787
13 HB3 CYS 2 1HB CYS 2 -6.175 5.350 -2.213
14 H GLN 3 H GLN 3 -4.817 3.499 -0.684
15 HA GLN 3 HA GLN 3 -4.336 4.125 2.003
16 HB2 GLN 3 2HB GLN 3 -2.747 2.592 -0.063
17 HB3 GLN 3 1HB GLN 3 -2.060 2.971 1.508
18 HG2 GLN 3 2HG GLN 3 -3.016 0.723 1.371
19 HG3 GLN 3 1HG GLN 3 -3.798 1.620 2.640
20 HE21 GLN 3 1HE2 GLN 3 -5.746 1.112 2.694
21 HE22 GLN 3 2HE2 GLN 3 -6.826 1.037 1.344
22 H LYS 4 H LYS 4 -3.758 6.247 2.309
23 HA LYS 4 HA LYS 4 -1.968 7.509 0.379
24 HB2 LYS 4 2HB LYS 4 -3.771 8.594 2.505
25 HB3 LYS 4 1HB LYS 4 -2.640 9.592 1.598
26 HG2 LYS 4 2HG LYS 4 -3.753 9.080 -0.462
27 HG3 LYS 4 1HG LYS 4 -4.805 7.924 0.358
28 HD2 LYS 4 2HD LYS 4 -4.616 10.764 1.129
29 HD3 LYS 4 1HD LYS 4 -5.741 10.244 -0.135
30 HE2 LYS 4 2HE LYS 4 -5.697 9.286 2.758
31 HE3 LYS 4 1HE LYS 4 -6.879 10.382 2.055
32 HZ1 LYS 4 3HZ LYS 4 -6.533 7.491 1.306
33 HZ2 LYS 4 1HZ LYS 4 -7.560 8.586 0.550
34 HZ3 LYS 4 2HZ LYS 4 -7.814 8.183 2.139
35 H TRP 5 H TRP 5 -0.095 7.464 0.805
36 HA TRP 5 HA TRP 5 1.894 6.772 1.771
37 HB2 TRP 5 2HB TRP 5 1.312 9.197 2.757
38 HB3 TRP 5 1HB TRP 5 1.218 8.295 4.264
39 HD1 TRP 5 HD TRP 5 3.742 6.307 3.846
40 HE1 TRP 5 1HE TRP 5 6.121 7.276 3.899
41 HE3 TRP 5 3HE TRP 5 2.675 11.213 2.817
42 HZ2 TRP 5 2HZ TRP 5 7.386 9.761 3.545
43 HZ3 TRP 5 3HZ TRP 5 4.542 12.812 2.694
44 HH2 TRP 5 HH TRP 5 6.834 12.101 3.048
45 H MET 6 H MET 6 1.940 6.682 4.880
46 HA MET 6 HA MET 6 1.656 3.871 4.962
47 HB2 MET 6 2HB MET 6 2.214 4.000 7.349
48 HB3 MET 6 1HB MET 6 3.330 4.903 6.344
49 HG2 MET 6 2HG MET 6 2.196 6.982 6.989
50 HG3 MET 6 1HG MET 6 1.112 6.052 8.019
51 HE1 MET 6 3HE MET 6 2.816 8.520 9.056
52 HE2 MET 6 1HE MET 6 3.401 7.898 10.598
53 HE3 MET 6 2HE MET 6 1.743 7.577 10.087
54 H TRP 7 H TRP 7 -0.094 2.976 4.678
55 HA TRP 7 HA TRP 7 -2.241 3.210 6.688
56 HB2 TRP 7 2HB TRP 7 -2.502 3.093 3.681
57 HB3 TRP 7 1HB TRP 7 -3.748 2.380 4.686
58 HD1 TRP 7 HD TRP 7 -2.023 5.799 5.202
59 HE1 TRP 7 1HE TRP 7 -3.844 7.634 5.149
60 HE3 TRP 7 3HE TRP 7 -6.033 2.902 4.049
61 HZ2 TRP 7 2HZ TRP 7 -6.617 7.796 4.687
62 HZ3 TRP 7 3HZ TRP 7 -8.233 3.958 3.810
63 HH2 TRP 7 HH TRP 7 -8.518 6.342 4.118
64 H THR 8 H THR 8 -3.620 0.963 6.402
65 HA THR 8 HA THR 8 -1.546 -1.040 6.252
66 HB THR 8 HB THR 8 -3.408 -2.426 7.328
67 HG1 THR 8 1HG THR 8 -4.995 -1.152 8.376
68 HG21 THR 8 3HG2 THR 8 -2.231 -0.066 8.803
69 HG22 THR 8 1HG2 THR 8 -1.440 -1.620 8.549
70 HG23 THR 8 2HG2 THR 8 -2.882 -1.521 9.558
71 H CYS 9 H CYS 9 -1.948 -3.030 5.146
72 HA CYS 9 HA CYS 9 -3.947 -2.751 3.068
73 HB2 CYS 9 2HB CYS 9 -2.443 -4.226 1.658
74 HB3 CYS 9 1HB CYS 9 -1.806 -2.625 2.005
75 H ASP 10 H ASP 10 -4.410 -5.147 2.175
76 HA ASP 10 HA ASP 10 -4.491 -7.143 4.312
77 HB2 ASP 10 2HB ASP 10 -6.633 -5.579 4.329
78 HB3 ASP 10 1HB ASP 10 -6.885 -6.312 2.739
79 H SER 11 H SER 11 -6.212 -8.867 2.762
80 HA SER 11 HA SER 11 -4.467 -9.375 0.544
81 HB2 SER 11 2HB SER 11 -5.871 -11.453 0.435
82 HB3 SER 11 1HB SER 11 -5.061 -11.132 1.993
83 HG SER 11 HG SER 11 -7.707 -11.230 1.374
84 H GLU 12 H GLU 12 -7.690 -8.402 1.313
85 HA GLU 12 HA GLU 12 -8.640 -8.131 -1.401
86 HB2 GLU 12 2HB GLU 12 -9.605 -6.991 1.213
87 HB3 GLU 12 1HB GLU 12 -10.493 -6.900 -0.296
88 HG2 GLU 12 2HG GLU 12 -9.708 -9.465 1.048
89 HG3 GLU 12 1HG GLU 12 -11.260 -8.662 1.282
90 H ARG 13 H ARG 13 -7.630 -6.078 1.220
91 HA ARG 13 HA ARG 13 -7.803 -3.669 -0.254
92 HB2 ARG 13 2HB ARG 13 -8.165 -3.847 2.197
93 HB3 ARG 13 1HB ARG 13 -6.447 -4.159 2.386
94 HG2 ARG 13 2HG ARG 13 -6.914 -1.842 2.869
95 HG3 ARG 13 1HG ARG 13 -5.963 -1.988 1.384
96 HD2 ARG 13 2HD ARG 13 -7.811 -0.354 1.185
97 HD3 ARG 13 1HD ARG 13 -7.895 -1.677 0.027
98 HE ARG 13 HE ARG 13 -9.394 -2.202 2.377
99 HH11 ARG 13 1HH1 ARG 13 -9.478 -0.487 -0.700
100 HH12 ARG 13 2HH1 ARG 13 -11.176 -0.474 -0.824
101 HH21 ARG 13 1HH2 ARG 13 -11.688 -2.183 2.251
102 HH22 ARG 13 2HH2 ARG 13 -12.506 -1.479 0.934
103 H LYS 14 H LYS 14 -6.461 -3.217 -1.732
104 HA LYS 14 HA LYS 14 -3.632 -3.958 -1.546
105 HB2 LYS 14 2HB LYS 14 -5.360 -3.214 -3.922
106 HB3 LYS 14 1HB LYS 14 -3.649 -3.611 -4.009
107 HG2 LYS 14 2HG LYS 14 -4.054 -5.871 -3.322
108 HG3 LYS 14 1HG LYS 14 -5.735 -5.510 -2.957
109 HD2 LYS 14 2HD LYS 14 -4.548 -5.291 -5.720
110 HD3 LYS 14 1HD LYS 14 -5.339 -6.744 -5.117
111 HE2 LYS 14 2HE LYS 14 -6.616 -4.012 -5.384
112 HE3 LYS 14 1HE LYS 14 -6.858 -5.373 -6.469
113 HZ1 LYS 14 3HZ LYS 14 -8.692 -5.239 -4.925
114 HZ2 LYS 14 1HZ LYS 14 -7.674 -5.292 -3.586
115 HZ3 LYS 14 2HZ LYS 14 -7.824 -6.616 -4.583
116 H CYS 15 H CYS 15 -2.108 -2.270 -1.844
117 HA CYS 15 HA CYS 15 -3.066 0.193 -0.798
118 HB2 CYS 15 2HB CYS 15 -0.292 -0.344 -1.809
119 HB3 CYS 15 1HB CYS 15 -0.870 0.814 -0.601
120 H CYS 16 H CYS 16 -4.006 1.581 -1.993
121 HA CYS 16 HA CYS 16 -3.916 1.820 -4.794
122 HB2 CYS 16 2HB CYS 16 -4.736 3.828 -2.711
123 HB3 CYS 16 1HB CYS 16 -4.962 4.092 -4.435
124 H GLU 17 H GLU 17 -3.241 3.701 -6.044
125 HA GLU 17 HA GLU 17 -1.815 5.174 -6.899
126 HB2 GLU 17 2HB GLU 17 -2.185 6.256 -4.569
127 HB3 GLU 17 1HB GLU 17 -0.575 5.647 -4.202
128 HG2 GLU 17 2HG GLU 17 -0.459 7.958 -4.902
129 HG3 GLU 17 1HG GLU 17 0.317 6.915 -6.099
130 H GLY 18 H GLY 18 -1.147 2.338 -6.286
131 HA2 GLY 18 2HA GLY 18 0.563 0.916 -6.922
132 HA3 GLY 18 1HA GLY 18 1.434 2.335 -7.474
133 H MET 19 H MET 19 0.303 1.679 -4.187
134 HA MET 19 HA MET 19 3.074 2.038 -3.343
135 HB2 MET 19 2HB MET 19 0.554 2.023 -1.676
136 HB3 MET 19 1HB MET 19 2.173 2.350 -1.072
137 HG2 MET 19 2HG MET 19 2.261 4.285 -2.671
138 HG3 MET 19 1HG MET 19 0.560 3.989 -2.992
139 HE1 MET 19 3HE MET 19 0.414 7.210 -0.876
140 HE2 MET 19 1HE MET 19 -0.167 6.394 -2.323
141 HE3 MET 19 2HE MET 19 1.546 6.758 -2.151
142 H VAL 20 H VAL 20 3.891 0.671 -1.564
143 HA VAL 20 HA VAL 20 3.390 -2.068 -2.356
144 HB VAL 20 HB VAL 20 5.432 -2.650 -1.080
145 HG11 VAL 20 1HG1 VAL 20 5.606 -2.106 -3.423
146 HG12 VAL 20 2HG1 VAL 20 7.024 -1.515 -2.554
147 HG13 VAL 20 3HG1 VAL 20 5.753 -0.391 -3.040
148 HG21 VAL 20 3HG2 VAL 20 5.639 0.325 -0.571
149 HG22 VAL 20 1HG2 VAL 20 6.890 -0.865 -0.212
150 HG23 VAL 20 2HG2 VAL 20 5.350 -0.915 0.648
151 H CYS 21 H CYS 21 2.753 -3.685 -1.094
152 HA CYS 21 HA CYS 21 1.359 -2.951 1.351
153 HB2 CYS 21 2HB CYS 21 0.124 -4.287 -0.281
154 HB3 CYS 21 1HB CYS 21 1.410 -5.490 -0.268
155 H ARG 22 H ARG 22 2.391 -3.084 3.154
156 HA ARG 22 HA ARG 22 4.078 -5.377 3.826
157 HB2 ARG 22 2HB ARG 22 5.337 -3.224 2.899
158 HB3 ARG 22 1HB ARG 22 4.984 -2.585 4.501
159 HG2 ARG 22 2HG ARG 22 7.177 -3.473 4.616
160 HG3 ARG 22 1HG ARG 22 6.147 -4.654 5.427
161 HD2 ARG 22 2HD ARG 22 7.683 -5.824 3.987
162 HD3 ARG 22 1HD ARG 22 6.063 -5.955 3.299
163 HE ARG 22 HE ARG 22 7.731 -3.788 2.344
164 HH11 ARG 22 1HH1 ARG 22 6.538 -7.056 1.683
165 HH12 ARG 22 2HH1 ARG 22 6.888 -7.008 0.026
166 HH21 ARG 22 1HH2 ARG 22 8.252 -3.715 0.093
167 HH22 ARG 22 2HH2 ARG 22 7.899 -5.038 -0.915
168 H LEU 23 H LEU 23 4.755 -3.998 6.372
169 HA LEU 23 HA LEU 23 2.392 -4.398 7.838
170 HB2 LEU 23 2HB LEU 23 4.766 -2.664 8.568
171 HB3 LEU 23 1HB LEU 23 3.502 -3.130 9.681
172 HG LEU 23 HG LEU 23 5.491 -4.985 8.367
173 HD11 LEU 23 1HD1 LEU 23 6.446 -3.620 10.147
174 HD12 LEU 23 2HD1 LEU 23 6.326 -5.311 10.630
175 HD13 LEU 23 3HD1 LEU 23 5.159 -4.136 11.236
176 HD21 LEU 23 3HD2 LEU 23 3.259 -5.594 10.312
177 HD22 LEU 23 1HD2 LEU 23 4.510 -6.729 9.802
178 HD23 LEU 23 2HD2 LEU 23 3.351 -6.115 8.629
179 H TRP 24 H TRP 24 3.730 -1.599 6.301
180 HA TRP 24 HA TRP 24 1.074 -0.425 6.356
181 HB2 TRP 24 2HB TRP 24 3.694 0.969 6.878
182 HB3 TRP 24 1HB TRP 24 2.346 1.859 6.200
183 HD1 TRP 24 HD TRP 24 0.105 1.939 7.785
184 HE1 TRP 24 1HE TRP 24 -0.057 2.077 10.359
185 HE3 TRP 24 3HE TRP 24 4.769 0.327 8.910
186 HZ2 TRP 24 2HZ TRP 24 1.642 1.577 12.581
187 HZ3 TRP 24 3HZ TRP 24 5.458 0.179 11.279
188 HH2 TRP 24 HH TRP 24 3.918 0.795 13.069
189 H CYS 25 H CYS 25 0.569 0.636 4.483
190 HA CYS 25 HA CYS 25 2.058 -0.075 2.133
191 HB2 CYS 25 2HB CYS 25 -0.267 1.830 2.498
192 HB3 CYS 25 1HB CYS 25 0.359 1.245 0.962
193 H LYS 26 H LYS 26 3.584 1.181 1.288
194 HA LYS 26 HA LYS 26 3.660 3.994 2.046
195 HB2 LYS 26 2HB LYS 26 6.024 2.104 2.070
196 HB3 LYS 26 1HB LYS 26 6.192 3.845 2.029
197 HG2 LYS 26 2HG LYS 26 5.035 3.957 4.224
198 HG3 LYS 26 1HG LYS 26 4.996 2.191 4.254
199 HD2 LYS 26 2HD LYS 26 7.418 2.090 4.194
200 HD3 LYS 26 1HD LYS 26 7.521 3.835 3.999
201 HE2 LYS 26 2HE LYS 26 8.041 3.276 6.274
202 HE3 LYS 26 1HE LYS 26 6.486 4.096 6.241
203 HZ1 LYS 26 3HZ LYS 26 7.004 1.199 6.638
204 HZ2 LYS 26 1HZ LYS 26 5.455 1.828 6.367
205 HZ3 LYS 26 2HZ LYS 26 6.345 2.305 7.708
206 H LYS 27 H LYS 27 4.510 5.321 0.475
207 HA LYS 27 HA LYS 27 4.208 4.360 -2.174
208 HB2 LYS 27 2HB LYS 27 4.765 6.667 -2.837
209 HB3 LYS 27 1HB LYS 27 3.532 6.633 -1.590
210 HG2 LYS 27 2HG LYS 27 5.328 7.130 0.080
211 HG3 LYS 27 1HG LYS 27 6.432 7.346 -1.281
212 HD2 LYS 27 2HD LYS 27 4.911 9.090 -2.181
213 HD3 LYS 27 1HD LYS 27 3.910 8.909 -0.744
214 HE2 LYS 27 2HE LYS 27 5.352 10.814 -0.479
215 HE3 LYS 27 1HE LYS 27 5.848 9.552 0.645
216 HZ1 LYS 27 3HZ LYS 27 7.146 10.169 -1.953
217 HZ2 LYS 27 1HZ LYS 27 7.648 8.972 -0.894
218 HZ3 LYS 27 2HZ LYS 27 7.745 10.594 -0.449
219 H LYS 28 H LYS 28 5.826 4.367 -3.784
220 HA LYS 28 HA LYS 28 8.173 3.112 -2.763
221 HB2 LYS 28 2HB LYS 28 7.343 3.725 -5.596
222 HB3 LYS 28 1HB LYS 28 8.728 2.748 -5.142
223 HG2 LYS 28 2HG LYS 28 7.256 1.116 -4.084
224 HG3 LYS 28 1HG LYS 28 5.858 2.104 -4.492
225 HD2 LYS 28 2HD LYS 28 7.735 1.080 -6.604
226 HD3 LYS 28 1HD LYS 28 6.426 0.086 -5.990
227 HE2 LYS 28 2HE LYS 28 5.783 1.193 -8.065
228 HE3 LYS 28 1HE LYS 28 4.800 1.754 -6.727
229 HZ1 LYS 28 3HZ LYS 28 5.471 3.509 -8.242
230 HZ2 LYS 28 1HZ LYS 28 7.097 3.281 -7.889
231 HZ3 LYS 28 2HZ LYS 28 6.014 3.819 -6.709
232 H LEU 29 H LEU 29 10.188 3.796 -2.822
233 HA LEU 29 HA LEU 29 10.638 6.543 -2.458
234 HB2 LEU 29 2HB LEU 29 12.537 4.225 -2.684
235 HB3 LEU 29 1HB LEU 29 13.104 5.863 -2.495
236 HG LEU 29 HG LEU 29 13.182 4.730 -0.386
237 HD11 LEU 29 1HD1 LEU 29 12.664 7.079 -0.325
238 HD12 LEU 29 2HD1 LEU 29 11.887 6.224 1.002
239 HD13 LEU 29 3HD1 LEU 29 10.937 6.724 -0.394
240 HD21 LEU 29 3HD2 LEU 29 10.214 4.269 -0.657
241 HD22 LEU 29 1HD2 LEU 29 11.204 3.878 0.749
242 HD23 LEU 29 2HD2 LEU 29 11.462 3.030 -0.778
243 H TRP 30 H TRP 30 12.138 7.860 -3.487
244 HA TRP 30 HA TRP 30 11.978 7.682 -6.379
245 HB2 TRP 30 2HB TRP 30 12.674 10.064 -6.314
246 HB3 TRP 30 1HB TRP 30 11.223 9.792 -5.373
247 HD1 TRP 30 HD TRP 30 14.673 11.098 -5.146
248 HE1 TRP 30 1HE TRP 30 15.183 11.920 -2.731
249 HE3 TRP 30 3HE TRP 30 10.598 9.189 -2.769
250 HZ2 TRP 30 2HZ TRP 30 13.991 11.758 -0.181
251 HZ3 TRP 30 3HZ TRP 30 10.346 9.561 -0.349
252 HH2 TRP 30 HH TRP 30 12.012 10.822 0.910
Start of MODEL 9
1 H1 TYR 1 H TYR 1 -12.280 2.557 1.470
2 HA TYR 1 HA TYR 1 -11.439 5.155 1.175
3 HB2 TYR 1 2HB TYR 1 -10.429 3.820 3.701
4 HB3 TYR 1 1HB TYR 1 -9.760 5.278 2.998
5 HD1 TYR 1 2HD TYR 1 -11.228 7.354 2.932
6 HD2 TYR 1 1HD TYR 1 -12.223 3.895 5.190
7 HE1 TYR 1 2HE TYR 1 -12.742 8.699 4.301
8 HE2 TYR 1 1HE TYR 1 -13.737 5.222 6.568
9 HH TYR 1 HH TYR 1 -14.692 8.382 5.733
10 H CYS 2 H CYS 2 -8.849 5.034 1.190
11 HA CYS 2 HA CYS 2 -7.931 2.380 0.601
12 HB2 CYS 2 2HB CYS 2 -8.573 3.395 -1.605
13 HB3 CYS 2 1HB CYS 2 -7.412 4.686 -1.301
14 H GLN 3 H GLN 3 -5.415 2.695 0.152
15 HA GLN 3 HA GLN 3 -4.538 3.732 2.681
16 HB2 GLN 3 2HB GLN 3 -3.290 2.017 0.572
17 HB3 GLN 3 1HB GLN 3 -2.352 2.634 1.908
18 HG2 GLN 3 2HG GLN 3 -3.080 0.308 2.246
19 HG3 GLN 3 1HG GLN 3 -3.704 1.378 3.486
20 HE21 GLN 3 1HE2 GLN 3 -5.876 1.698 3.628
21 HE22 GLN 3 2HE2 GLN 3 -7.035 0.748 2.780
22 H LYS 4 H LYS 4 -3.988 5.807 2.708
23 HA LYS 4 HA LYS 4 -2.546 7.012 0.450
24 HB2 LYS 4 2HB LYS 4 -3.729 8.197 2.932
25 HB3 LYS 4 1HB LYS 4 -2.940 9.112 1.652
26 HG2 LYS 4 2HG LYS 4 -4.745 8.266 0.123
27 HG3 LYS 4 1HG LYS 4 -5.538 7.620 1.560
28 HD2 LYS 4 2HD LYS 4 -4.667 10.437 1.249
29 HD3 LYS 4 1HD LYS 4 -6.321 9.906 0.889
30 HE2 LYS 4 2HE LYS 4 -6.536 9.149 3.241
31 HE3 LYS 4 1HE LYS 4 -4.897 9.697 3.557
32 HZ1 LYS 4 3HZ LYS 4 -5.554 11.941 3.151
33 HZ2 LYS 4 1HZ LYS 4 -6.579 11.263 4.296
34 HZ3 LYS 4 2HZ LYS 4 -7.129 11.462 2.731
35 H TRP 5 H TRP 5 -0.502 6.872 0.617
36 HA TRP 5 HA TRP 5 1.629 6.341 1.463
37 HB2 TRP 5 2HB TRP 5 1.007 8.827 2.275
38 HB3 TRP 5 1HB TRP 5 1.071 8.066 3.856
39 HD1 TRP 5 HD TRP 5 3.775 6.168 3.368
40 HE1 TRP 5 1HE TRP 5 6.018 7.323 3.139
41 HE3 TRP 5 3HE TRP 5 2.199 10.932 2.166
42 HZ2 TRP 5 2HZ TRP 5 7.046 9.861 2.555
43 HZ3 TRP 5 3HZ TRP 5 3.920 12.648 1.800
44 HH2 TRP 5 HH TRP 5 6.283 12.120 1.992
45 H MET 6 H MET 6 1.877 6.627 4.567
46 HA MET 6 HA MET 6 1.688 3.844 4.992
47 HB2 MET 6 2HB MET 6 2.438 4.313 7.323
48 HB3 MET 6 1HB MET 6 3.482 4.945 6.066
49 HG2 MET 6 2HG MET 6 2.448 7.176 6.411
50 HG3 MET 6 1HG MET 6 1.543 6.495 7.760
51 HE1 MET 6 3HE MET 6 6.148 6.925 7.665
52 HE2 MET 6 1HE MET 6 5.085 7.431 6.357
53 HE3 MET 6 2HE MET 6 5.315 5.713 6.698
54 H TRP 7 H TRP 7 -0.006 2.890 4.979
55 HA TRP 7 HA TRP 7 -2.008 3.185 7.097
56 HB2 TRP 7 2HB TRP 7 -2.578 3.210 4.126
57 HB3 TRP 7 1HB TRP 7 -3.719 2.497 5.244
58 HD1 TRP 7 HD TRP 7 -1.927 5.925 5.585
59 HE1 TRP 7 1HE TRP 7 -3.741 7.744 5.679
60 HE3 TRP 7 3HE TRP 7 -6.034 3.007 4.931
61 HZ2 TRP 7 2HZ TRP 7 -6.531 7.924 5.503
62 HZ3 TRP 7 3HZ TRP 7 -8.255 4.080 4.898
63 HH2 TRP 7 HH TRP 7 -8.482 6.496 5.181
64 H THR 8 H THR 8 -3.328 1.072 7.158
65 HA THR 8 HA THR 8 -1.524 -1.051 6.521
66 HB THR 8 HB THR 8 -3.311 -2.393 7.799
67 HG1 THR 8 1HG THR 8 -5.039 -1.058 7.894
68 HG21 THR 8 3HG2 THR 8 -1.131 -1.757 8.736
69 HG22 THR 8 1HG2 THR 8 -2.394 -1.653 9.961
70 HG23 THR 8 2HG2 THR 8 -1.784 -0.187 9.193
71 H CYS 9 H CYS 9 -1.935 -2.675 5.108
72 HA CYS 9 HA CYS 9 -4.239 -2.311 3.341
73 HB2 CYS 9 2HB CYS 9 -2.817 -3.588 1.699
74 HB3 CYS 9 1HB CYS 9 -2.214 -1.992 2.129
75 H ASP 10 H ASP 10 -4.788 -4.436 2.222
76 HA ASP 10 HA ASP 10 -4.761 -6.678 4.119
77 HB2 ASP 10 2HB ASP 10 -6.983 -5.357 4.023
78 HB3 ASP 10 1HB ASP 10 -7.061 -5.837 2.332
79 H SER 11 H SER 11 -5.871 -8.527 2.432
80 HA SER 11 HA SER 11 -3.952 -8.685 0.278
81 HB2 SER 11 2HB SER 11 -6.202 -10.505 1.117
82 HB3 SER 11 1HB SER 11 -4.961 -10.913 -0.080
83 HG SER 11 HG SER 11 -4.394 -10.151 2.579
84 H GLU 12 H GLU 12 -7.314 -8.021 0.859
85 HA GLU 12 HA GLU 12 -7.980 -7.916 -1.957
86 HB2 GLU 12 2HB GLU 12 -9.560 -7.210 0.500
87 HB3 GLU 12 1HB GLU 12 -10.189 -7.186 -1.136
88 HG2 GLU 12 2HG GLU 12 -9.734 -9.597 -1.311
89 HG3 GLU 12 1HG GLU 12 -9.198 -9.584 0.373
90 H ARG 13 H ARG 13 -7.935 -5.689 0.781
91 HA ARG 13 HA ARG 13 -8.160 -3.396 -0.912
92 HB2 ARG 13 2HB ARG 13 -9.042 -3.564 1.455
93 HB3 ARG 13 1HB ARG 13 -7.376 -3.500 1.997
94 HG2 ARG 13 2HG ARG 13 -8.318 -1.311 2.200
95 HG3 ARG 13 1HG ARG 13 -7.137 -1.317 0.898
96 HD2 ARG 13 2HD ARG 13 -9.235 -0.066 0.367
97 HD3 ARG 13 1HD ARG 13 -8.832 -1.345 -0.773
98 HE ARG 13 HE ARG 13 -10.471 -2.629 0.867
99 HH11 ARG 13 1HH1 ARG 13 -10.930 0.628 -0.443
100 HH12 ARG 13 2HH1 ARG 13 -12.596 0.422 -0.711
101 HH21 ARG 13 1HH2 ARG 13 -12.697 -2.888 0.546
102 HH22 ARG 13 2HH2 ARG 13 -13.658 -1.657 -0.136
103 H LYS 14 H LYS 14 -6.548 -2.840 -2.059
104 HA LYS 14 HA LYS 14 -3.808 -3.478 -1.222
105 HB2 LYS 14 2HB LYS 14 -4.777 -2.675 -3.965
106 HB3 LYS 14 1HB LYS 14 -3.182 -3.272 -3.537
107 HG2 LYS 14 2HG LYS 14 -4.246 -5.440 -2.884
108 HG3 LYS 14 1HG LYS 14 -5.770 -4.809 -3.497
109 HD2 LYS 14 2HD LYS 14 -4.787 -6.160 -5.214
110 HD3 LYS 14 1HD LYS 14 -4.665 -4.475 -5.705
111 HE2 LYS 14 2HE LYS 14 -2.598 -5.682 -6.170
112 HE3 LYS 14 1HE LYS 14 -2.329 -4.416 -4.982
113 HZ1 LYS 14 3HZ LYS 14 -2.628 -7.325 -4.411
114 HZ2 LYS 14 1HZ LYS 14 -2.440 -6.128 -3.234
115 HZ3 LYS 14 2HZ LYS 14 -1.220 -6.420 -4.336
116 H CYS 15 H CYS 15 -2.164 -1.862 -1.845
117 HA CYS 15 HA CYS 15 -2.988 0.680 -0.824
118 HB2 CYS 15 2HB CYS 15 -0.287 0.046 -1.941
119 HB3 CYS 15 1HB CYS 15 -0.755 1.134 -0.625
120 H CYS 16 H CYS 16 -3.711 2.247 -2.114
121 HA CYS 16 HA CYS 16 -3.798 2.027 -4.920
122 HB2 CYS 16 2HB CYS 16 -4.344 4.393 -3.132
123 HB3 CYS 16 1HB CYS 16 -4.581 4.436 -4.875
124 H GLU 17 H GLU 17 -2.915 3.372 -6.513
125 HA GLU 17 HA GLU 17 -1.353 4.444 -7.670
126 HB2 GLU 17 2HB GLU 17 -1.433 6.126 -5.794
127 HB3 GLU 17 1HB GLU 17 -0.100 5.275 -5.034
128 HG2 GLU 17 2HG GLU 17 1.332 5.830 -6.915
129 HG3 GLU 17 1HG GLU 17 -0.017 6.629 -7.721
130 H GLY 18 H GLY 18 -1.085 1.774 -6.164
131 HA2 GLY 18 2HA GLY 18 0.251 -0.050 -6.474
132 HA3 GLY 18 1HA GLY 18 1.241 0.915 -7.560
133 H MET 19 H MET 19 0.455 1.074 -4.137
134 HA MET 19 HA MET 19 3.292 1.531 -3.593
135 HB2 MET 19 2HB MET 19 0.885 1.771 -1.764
136 HB3 MET 19 1HB MET 19 2.540 2.131 -1.301
137 HG2 MET 19 2HG MET 19 2.600 3.931 -2.960
138 HG3 MET 19 1HG MET 19 0.937 3.564 -3.404
139 HE1 MET 19 3HE MET 19 0.195 6.079 -2.995
140 HE2 MET 19 1HE MET 19 1.878 6.458 -2.616
141 HE3 MET 19 2HE MET 19 0.592 6.975 -1.529
142 H VAL 20 H VAL 20 4.351 0.301 -1.908
143 HA VAL 20 HA VAL 20 3.750 -2.453 -2.282
144 HB VAL 20 HB VAL 20 5.928 -1.155 -0.635
145 HG11 VAL 20 1HG1 VAL 20 5.481 -3.426 0.085
146 HG12 VAL 20 2HG1 VAL 20 7.040 -3.340 -0.741
147 HG13 VAL 20 3HG1 VAL 20 5.629 -4.004 -1.572
148 HG21 VAL 20 3HG2 VAL 20 6.005 -2.318 -3.415
149 HG22 VAL 20 1HG2 VAL 20 7.379 -1.666 -2.526
150 HG23 VAL 20 2HG2 VAL 20 6.058 -0.601 -3.017
151 H CYS 21 H CYS 21 2.505 -3.578 -1.147
152 HA CYS 21 HA CYS 21 1.351 -2.750 1.369
153 HB2 CYS 21 2HB CYS 21 0.058 -3.931 -0.435
154 HB3 CYS 21 1HB CYS 21 1.199 -5.261 -0.140
155 H ARG 22 H ARG 22 2.508 -3.029 3.129
156 HA ARG 22 HA ARG 22 3.751 -5.573 3.776
157 HB2 ARG 22 2HB ARG 22 4.871 -2.904 3.441
158 HB3 ARG 22 1HB ARG 22 5.648 -3.915 4.689
159 HG2 ARG 22 2HG ARG 22 5.330 -4.368 1.749
160 HG3 ARG 22 1HG ARG 22 6.855 -3.914 2.525
161 HD2 ARG 22 2HD ARG 22 6.857 -6.089 3.672
162 HD3 ARG 22 1HD ARG 22 5.319 -6.503 2.909
163 HE ARG 22 HE ARG 22 7.508 -5.797 1.165
164 HH11 ARG 22 1HH1 ARG 22 5.689 -8.459 2.670
165 HH12 ARG 22 2HH1 ARG 22 6.116 -9.602 1.498
166 HH21 ARG 22 1HH2 ARG 22 8.072 -7.410 -0.490
167 HH22 ARG 22 2HH2 ARG 22 7.478 -8.985 -0.338
168 H LEU 23 H LEU 23 4.866 -4.158 6.122
169 HA LEU 23 HA LEU 23 2.882 -4.281 8.040
170 HB2 LEU 23 2HB LEU 23 5.160 -2.282 7.998
171 HB3 LEU 23 1HB LEU 23 4.233 -2.726 9.411
172 HG LEU 23 HG LEU 23 6.060 -4.577 7.875
173 HD11 LEU 23 1HD1 LEU 23 7.502 -4.431 9.829
174 HD12 LEU 23 2HD1 LEU 23 6.409 -3.249 10.546
175 HD13 LEU 23 3HD1 LEU 23 7.286 -2.855 9.067
176 HD21 LEU 23 3HD2 LEU 23 4.213 -5.781 8.913
177 HD22 LEU 23 1HD2 LEU 23 4.540 -4.985 10.453
178 HD23 LEU 23 2HD2 LEU 23 5.720 -6.102 9.768
179 H TRP 24 H TRP 24 3.898 -1.440 6.212
180 HA TRP 24 HA TRP 24 1.174 -0.478 6.236
181 HB2 TRP 24 2HB TRP 24 3.601 1.105 7.087
182 HB3 TRP 24 1HB TRP 24 2.255 1.936 6.341
183 HD1 TRP 24 HD TRP 24 -0.037 1.993 7.752
184 HE1 TRP 24 1HE TRP 24 -0.473 1.788 10.300
185 HE3 TRP 24 3HE TRP 24 4.396 0.057 9.101
186 HZ2 TRP 24 2HZ TRP 24 0.938 0.911 12.580
187 HZ3 TRP 24 3HZ TRP 24 4.827 -0.451 11.488
188 HH2 TRP 24 HH TRP 24 3.129 -0.027 13.181
189 H CYS 25 H CYS 25 0.657 0.531 4.338
190 HA CYS 25 HA CYS 25 2.376 0.126 2.060
191 HB2 CYS 25 2HB CYS 25 -0.013 1.965 2.321
192 HB3 CYS 25 1HB CYS 25 0.679 1.319 0.838
193 H LYS 26 H LYS 26 3.645 1.800 1.127
194 HA LYS 26 HA LYS 26 3.375 4.459 2.223
195 HB2 LYS 26 2HB LYS 26 6.037 3.011 2.105
196 HB3 LYS 26 1HB LYS 26 5.833 4.710 2.498
197 HG2 LYS 26 2HG LYS 26 4.511 3.984 4.517
198 HG3 LYS 26 1HG LYS 26 4.985 2.328 4.149
199 HD2 LYS 26 2HD LYS 26 6.832 4.631 4.791
200 HD3 LYS 26 1HD LYS 26 6.454 3.267 5.839
201 HE2 LYS 26 2HE LYS 26 7.743 3.094 3.160
202 HE3 LYS 26 1HE LYS 26 8.647 3.096 4.676
203 HZ1 LYS 26 3HZ LYS 26 6.703 0.989 3.779
204 HZ2 LYS 26 1HZ LYS 26 7.445 1.019 5.291
205 HZ3 LYS 26 2HZ LYS 26 8.363 0.816 3.917
206 H LYS 27 H LYS 27 4.553 6.015 0.756
207 HA LYS 27 HA LYS 27 3.975 5.184 -1.893
208 HB2 LYS 27 2HB LYS 27 4.726 7.399 -2.631
209 HB3 LYS 27 1HB LYS 27 3.591 7.503 -1.298
210 HG2 LYS 27 2HG LYS 27 5.278 8.161 0.210
211 HG3 LYS 27 1HG LYS 27 6.562 7.679 -0.902
212 HD2 LYS 27 2HD LYS 27 6.284 10.118 -0.861
213 HD3 LYS 27 1HD LYS 27 5.918 9.454 -2.451
214 HE2 LYS 27 2HE LYS 27 3.482 9.525 -1.814
215 HE3 LYS 27 1HE LYS 27 3.959 10.382 -0.350
216 HZ1 LYS 27 3HZ LYS 27 4.903 12.133 -1.738
217 HZ2 LYS 27 1HZ LYS 27 3.274 11.913 -2.128
218 HZ3 LYS 27 2HZ LYS 27 4.472 11.289 -3.119
219 H LYS 28 H LYS 28 5.414 5.235 -3.655
220 HA LYS 28 HA LYS 28 7.912 3.982 -2.898
221 HB2 LYS 28 2HB LYS 28 7.975 3.418 -5.425
222 HB3 LYS 28 1HB LYS 28 6.794 2.592 -4.420
223 HG2 LYS 28 2HG LYS 28 5.089 4.191 -5.152
224 HG3 LYS 28 1HG LYS 28 6.274 4.938 -6.228
225 HD2 LYS 28 2HD LYS 28 6.423 2.925 -7.522
226 HD3 LYS 28 1HD LYS 28 5.450 2.038 -6.341
227 HE2 LYS 28 2HE LYS 28 3.548 3.487 -6.805
228 HE3 LYS 28 1HE LYS 28 4.501 4.396 -7.968
229 HZ1 LYS 28 3HZ LYS 28 3.864 1.506 -8.201
230 HZ2 LYS 28 1HZ LYS 28 4.635 2.458 -9.353
231 HZ3 LYS 28 2HZ LYS 28 3.021 2.723 -8.995
232 H LEU 29 H LEU 29 9.811 4.819 -3.223
233 HA LEU 29 HA LEU 29 9.891 7.605 -4.086
234 HB2 LEU 29 2HB LEU 29 11.875 5.937 -2.526
235 HB3 LEU 29 1HB LEU 29 12.217 7.556 -3.079
236 HG LEU 29 HG LEU 29 10.257 8.327 -1.650
237 HD11 LEU 29 1HD1 LEU 29 9.125 6.206 -1.344
238 HD12 LEU 29 2HD1 LEU 29 9.579 6.910 0.208
239 HD13 LEU 29 3HD1 LEU 29 10.515 5.574 -0.461
240 HD21 LEU 29 3HD2 LEU 29 12.628 7.070 -0.282
241 HD22 LEU 29 1HD2 LEU 29 11.572 8.298 0.415
242 HD23 LEU 29 2HD2 LEU 29 12.561 8.683 -0.992
243 H TRP 30 H TRP 30 9.793 5.225 -5.853
244 HA TRP 30 HA TRP 30 11.933 6.049 -7.623
245 HB2 TRP 30 2HB TRP 30 12.824 4.073 -6.330
246 HB3 TRP 30 1HB TRP 30 11.470 3.136 -6.938
247 HD1 TRP 30 HD TRP 30 11.741 2.046 -9.227
248 HE1 TRP 30 1HE TRP 30 13.597 2.017 -11.037
249 HE3 TRP 30 3HE TRP 30 14.728 5.716 -7.339
250 HZ2 TRP 30 2HZ TRP 30 16.026 3.395 -11.556
251 HZ3 TRP 30 3HZ TRP 30 16.793 6.304 -8.537
252 HH2 TRP 30 HH TRP 30 17.422 5.163 -10.602
Start of MODEL 10
1 H1 TYR 1 H TYR 1 -11.237 4.133 2.432
2 HA TYR 1 HA TYR 1 -11.074 2.060 1.153
3 HB2 TYR 1 2HB TYR 1 -11.382 4.384 -0.775
4 HB3 TYR 1 1HB TYR 1 -11.994 2.753 -0.998
5 HD1 TYR 1 2HD TYR 1 -12.475 5.948 0.719
6 HD2 TYR 1 1HD TYR 1 -14.035 2.036 0.139
7 HE1 TYR 1 2HE TYR 1 -14.579 6.657 1.717
8 HE2 TYR 1 1HE TYR 1 -16.163 2.734 1.138
9 HH TYR 1 HH TYR 1 -16.854 6.042 1.737
10 H CYS 2 H CYS 2 -8.790 4.334 0.985
11 HA CYS 2 HA CYS 2 -7.020 2.685 -0.597
12 HB2 CYS 2 2HB CYS 2 -7.725 5.504 -1.255
13 HB3 CYS 2 1HB CYS 2 -6.111 4.905 -1.617
14 H GLN 3 H GLN 3 -4.900 2.974 -0.229
15 HA GLN 3 HA GLN 3 -4.322 3.838 2.443
16 HB2 GLN 3 2HB GLN 3 -2.796 2.330 0.318
17 HB3 GLN 3 1HB GLN 3 -2.032 2.880 1.792
18 HG2 GLN 3 2HG GLN 3 -2.684 0.485 1.828
19 HG3 GLN 3 1HG GLN 3 -3.386 1.418 3.133
20 HE21 GLN 3 1HE2 GLN 3 -5.585 1.663 3.210
21 HE22 GLN 3 2HE2 GLN 3 -6.678 0.773 2.223
22 H LYS 4 H LYS 4 -3.881 5.943 2.672
23 HA LYS 4 HA LYS 4 -2.393 7.331 0.556
24 HB2 LYS 4 2HB LYS 4 -3.910 8.330 2.954
25 HB3 LYS 4 1HB LYS 4 -2.977 9.376 1.883
26 HG2 LYS 4 2HG LYS 4 -4.439 8.642 0.017
27 HG3 LYS 4 1HG LYS 4 -5.399 7.738 1.189
28 HD2 LYS 4 2HD LYS 4 -4.831 10.661 1.336
29 HD3 LYS 4 1HD LYS 4 -6.313 10.001 0.623
30 HE2 LYS 4 2HE LYS 4 -6.851 8.959 2.807
31 HE3 LYS 4 1HE LYS 4 -5.389 9.654 3.493
32 HZ1 LYS 4 3HZ LYS 4 -7.334 10.943 4.039
33 HZ2 LYS 4 1HZ LYS 4 -7.694 11.195 2.422
34 HZ3 LYS 4 2HZ LYS 4 -6.295 11.858 3.115
35 H TRP 5 H TRP 5 -0.422 7.375 0.767
36 HA TRP 5 HA TRP 5 1.649 6.668 1.546
37 HB2 TRP 5 2HB TRP 5 1.109 9.124 2.500
38 HB3 TRP 5 1HB TRP 5 1.242 8.280 4.040
39 HD1 TRP 5 HD TRP 5 3.785 6.521 3.866
40 HE1 TRP 5 1HE TRP 5 6.103 7.470 3.319
41 HE3 TRP 5 3HE TRP 5 2.420 10.925 1.612
42 HZ2 TRP 5 2HZ TRP 5 7.225 9.723 2.148
43 HZ3 TRP 5 3HZ TRP 5 4.205 12.420 0.816
44 HH2 TRP 5 HH TRP 5 6.558 11.825 1.081
45 H MET 6 H MET 6 1.969 6.741 4.646
46 HA MET 6 HA MET 6 1.809 3.930 4.947
47 HB2 MET 6 2HB MET 6 2.470 4.283 7.294
48 HB3 MET 6 1HB MET 6 3.502 5.131 6.159
49 HG2 MET 6 2HG MET 6 2.261 7.214 6.669
50 HG3 MET 6 1HG MET 6 1.343 6.323 7.881
51 HE1 MET 6 3HE MET 6 2.002 8.054 9.710
52 HE2 MET 6 1HE MET 6 2.925 8.983 8.530
53 HE3 MET 6 2HE MET 6 3.658 8.544 10.075
54 H TRP 7 H TRP 7 0.095 2.925 4.823
55 HA TRP 7 HA TRP 7 -1.965 3.114 6.895
56 HB2 TRP 7 2HB TRP 7 -2.420 3.292 3.923
57 HB3 TRP 7 1HB TRP 7 -3.577 2.435 4.920
58 HD1 TRP 7 HD TRP 7 -1.928 5.866 5.594
59 HE1 TRP 7 1HE TRP 7 -3.800 7.594 5.889
60 HE3 TRP 7 3HE TRP 7 -5.891 2.871 4.634
61 HZ2 TRP 7 2HZ TRP 7 -6.599 7.677 5.712
62 HZ3 TRP 7 3HZ TRP 7 -8.162 3.846 4.702
63 HH2 TRP 7 HH TRP 7 -8.478 6.218 5.234
64 H THR 8 H THR 8 -3.276 0.976 6.805
65 HA THR 8 HA THR 8 -1.352 -1.108 6.338
66 HB THR 8 HB THR 8 -3.081 -2.458 7.588
67 HG1 THR 8 1HG THR 8 -4.923 -1.444 7.484
68 HG21 THR 8 3HG2 THR 8 -2.535 -1.453 9.755
69 HG22 THR 8 1HG2 THR 8 -2.021 0.025 8.940
70 HG23 THR 8 2HG2 THR 8 -1.126 -1.472 8.691
71 H CYS 9 H CYS 9 -1.849 -2.983 5.116
72 HA CYS 9 HA CYS 9 -3.918 -2.559 3.089
73 HB2 CYS 9 2HB CYS 9 -2.454 -4.214 1.763
74 HB3 CYS 9 1HB CYS 9 -1.859 -2.570 1.957
75 H ASP 10 H ASP 10 -4.758 -4.695 2.151
76 HA ASP 10 HA ASP 10 -5.003 -6.702 4.266
77 HB2 ASP 10 2HB ASP 10 -7.325 -5.435 2.768
78 HB3 ASP 10 1HB ASP 10 -7.439 -6.929 3.665
79 H SER 11 H SER 11 -6.614 -8.492 3.087
80 HA SER 11 HA SER 11 -4.945 -9.768 1.266
81 HB2 SER 11 2HB SER 11 -7.883 -10.249 1.758
82 HB3 SER 11 1HB SER 11 -6.688 -11.418 1.185
83 HG SER 11 HG SER 11 -5.593 -11.155 3.148
84 H GLU 12 H GLU 12 -8.033 -8.054 0.776
85 HA GLU 12 HA GLU 12 -7.389 -8.014 -2.072
86 HB2 GLU 12 2HB GLU 12 -10.056 -7.753 -0.723
87 HB3 GLU 12 1HB GLU 12 -9.804 -7.464 -2.437
88 HG2 GLU 12 2HG GLU 12 -8.924 -9.786 -2.618
89 HG3 GLU 12 1HG GLU 12 -9.389 -10.037 -0.938
90 H ARG 13 H ARG 13 -7.393 -6.054 0.607
91 HA ARG 13 HA ARG 13 -7.872 -3.703 -1.012
92 HB2 ARG 13 2HB ARG 13 -8.681 -3.781 1.387
93 HB3 ARG 13 1HB ARG 13 -6.989 -3.755 1.861
94 HG2 ARG 13 2HG ARG 13 -7.995 -1.513 1.988
95 HG3 ARG 13 1HG ARG 13 -6.648 -1.640 0.842
96 HD2 ARG 13 2HD ARG 13 -8.630 -0.309 0.032
97 HD3 ARG 13 1HD ARG 13 -8.073 -1.593 -1.031
98 HE ARG 13 HE ARG 13 -10.025 -2.765 0.454
99 HH11 ARG 13 1HH1 ARG 13 -10.007 0.225 -1.410
100 HH12 ARG 13 2HH1 ARG 13 -11.585 0.029 -2.007
101 HH21 ARG 13 1HH2 ARG 13 -12.177 -3.039 -0.315
102 HH22 ARG 13 2HH2 ARG 13 -12.894 -1.878 -1.334
103 H LYS 14 H LYS 14 -6.377 -3.130 -2.215
104 HA LYS 14 HA LYS 14 -3.613 -3.741 -1.553
105 HB2 LYS 14 2HB LYS 14 -4.940 -3.042 -4.154
106 HB3 LYS 14 1HB LYS 14 -3.222 -3.354 -3.967
107 HG2 LYS 14 2HG LYS 14 -3.651 -5.642 -3.323
108 HG3 LYS 14 1HG LYS 14 -5.390 -5.355 -3.347
109 HD2 LYS 14 2HD LYS 14 -3.571 -5.115 -5.744
110 HD3 LYS 14 1HD LYS 14 -4.555 -6.529 -5.360
111 HE2 LYS 14 2HE LYS 14 -6.579 -5.191 -5.524
112 HE3 LYS 14 1HE LYS 14 -5.632 -3.748 -5.846
113 HZ1 LYS 14 3HZ LYS 14 -5.806 -6.146 -7.582
114 HZ2 LYS 14 1HZ LYS 14 -4.837 -4.788 -7.881
115 HZ3 LYS 14 2HZ LYS 14 -6.524 -4.652 -7.839
116 H CYS 15 H CYS 15 -2.084 -2.157 -1.703
117 HA CYS 15 HA CYS 15 -2.954 0.339 -0.724
118 HB2 CYS 15 2HB CYS 15 -0.222 -0.160 -1.830
119 HB3 CYS 15 1HB CYS 15 -0.761 0.843 -0.467
120 H CYS 16 H CYS 16 -3.825 1.783 -1.912
121 HA CYS 16 HA CYS 16 -3.835 1.842 -4.735
122 HB2 CYS 16 2HB CYS 16 -4.665 3.986 -2.789
123 HB3 CYS 16 1HB CYS 16 -5.018 4.008 -4.514
124 H GLU 17 H GLU 17 -3.197 3.693 -6.115
125 HA GLU 17 HA GLU 17 -1.691 4.974 -7.085
126 HB2 GLU 17 2HB GLU 17 -1.926 6.397 -4.977
127 HB3 GLU 17 1HB GLU 17 -0.520 5.559 -4.340
128 HG2 GLU 17 2HG GLU 17 0.859 6.462 -6.118
129 HG3 GLU 17 1HG GLU 17 -0.546 7.228 -6.846
130 H GLY 18 H GLY 18 -1.270 2.155 -6.152
131 HA2 GLY 18 2HA GLY 18 0.222 0.502 -6.672
132 HA3 GLY 18 1HA GLY 18 1.160 1.716 -7.531
133 H MET 19 H MET 19 0.303 1.369 -4.118
134 HA MET 19 HA MET 19 3.141 1.745 -3.460
135 HB2 MET 19 2HB MET 19 0.744 1.656 -1.612
136 HB3 MET 19 1HB MET 19 2.386 2.075 -1.155
137 HG2 MET 19 2HG MET 19 2.252 4.056 -2.574
138 HG3 MET 19 1HG MET 19 0.604 3.615 -3.006
139 HE1 MET 19 3HE MET 19 -0.420 5.872 -2.268
140 HE2 MET 19 1HE MET 19 1.235 6.416 -1.984
141 HE3 MET 19 2HE MET 19 -0.005 6.679 -0.759
142 H VAL 20 H VAL 20 4.113 0.272 -1.922
143 HA VAL 20 HA VAL 20 3.301 -2.430 -2.583
144 HB VAL 20 HB VAL 20 5.723 -1.514 -1.009
145 HG11 VAL 20 1HG1 VAL 20 5.124 -3.823 -0.567
146 HG12 VAL 20 2HG1 VAL 20 6.623 -3.733 -1.494
147 HG13 VAL 20 3HG1 VAL 20 5.112 -4.169 -2.296
148 HG21 VAL 20 3HG2 VAL 20 6.991 -1.884 -3.073
149 HG22 VAL 20 1HG2 VAL 20 5.772 -0.626 -3.283
150 HG23 VAL 20 2HG2 VAL 20 5.493 -2.246 -3.926
151 H CYS 21 H CYS 21 2.382 -3.837 -1.224
152 HA CYS 21 HA CYS 21 1.353 -2.944 1.281
153 HB2 CYS 21 2HB CYS 21 0.054 -4.459 -0.115
154 HB3 CYS 21 1HB CYS 21 1.339 -5.657 -0.056
155 H ARG 22 H ARG 22 2.158 -3.217 3.218
156 HA ARG 22 HA ARG 22 4.132 -5.202 3.885
157 HB2 ARG 22 2HB ARG 22 5.234 -3.033 2.830
158 HB3 ARG 22 1HB ARG 22 4.807 -2.290 4.363
159 HG2 ARG 22 2HG ARG 22 7.094 -2.985 4.475
160 HG3 ARG 22 1HG ARG 22 6.166 -4.069 5.509
161 HD2 ARG 22 2HD ARG 22 7.705 -5.392 4.235
162 HD3 ARG 22 1HD ARG 22 6.087 -5.694 3.616
163 HE ARG 22 HE ARG 22 7.520 -3.626 2.228
164 HH11 ARG 22 1HH1 ARG 22 6.781 -7.092 2.274
165 HH12 ARG 22 2HH1 ARG 22 7.277 -7.344 0.662
166 HH21 ARG 22 1HH2 ARG 22 8.194 -3.989 0.074
167 HH22 ARG 22 2HH2 ARG 22 8.108 -5.535 -0.632
168 H LEU 23 H LEU 23 4.747 -3.696 6.368
169 HA LEU 23 HA LEU 23 2.437 -4.181 7.942
170 HB2 LEU 23 2HB LEU 23 4.738 -2.290 8.505
171 HB3 LEU 23 1HB LEU 23 3.569 -2.833 9.681
172 HG LEU 23 HG LEU 23 5.549 -4.609 8.274
173 HD11 LEU 23 1HD1 LEU 23 6.657 -3.048 9.770
174 HD12 LEU 23 2HD1 LEU 23 6.689 -4.676 10.446
175 HD13 LEU 23 3HD1 LEU 23 5.550 -3.482 11.070
176 HD21 LEU 23 3HD2 LEU 23 4.875 -6.265 9.968
177 HD22 LEU 23 1HD2 LEU 23 3.522 -5.799 8.937
178 HD23 LEU 23 2HD2 LEU 23 3.657 -5.142 10.567
179 H TRP 24 H TRP 24 3.791 -1.392 6.408
180 HA TRP 24 HA TRP 24 1.190 -0.137 6.291
181 HB2 TRP 24 2HB TRP 24 3.777 1.157 7.146
182 HB3 TRP 24 1HB TRP 24 2.475 2.101 6.457
183 HD1 TRP 24 HD TRP 24 0.222 2.265 7.928
184 HE1 TRP 24 1HE TRP 24 -0.110 2.130 10.495
185 HE3 TRP 24 3HE TRP 24 4.614 0.112 9.128
186 HZ2 TRP 24 2HZ TRP 24 1.360 1.209 12.734
187 HZ3 TRP 24 3HZ TRP 24 5.128 -0.376 11.509
188 HH2 TRP 24 HH TRP 24 3.522 0.172 13.262
189 H CYS 25 H CYS 25 0.797 0.442 4.299
190 HA CYS 25 HA CYS 25 2.698 0.019 2.190
191 HB2 CYS 25 2HB CYS 25 0.175 1.680 2.088
192 HB3 CYS 25 1HB CYS 25 0.987 0.864 0.758
193 H LYS 26 H LYS 26 4.122 1.576 1.486
194 HA LYS 26 HA LYS 26 3.463 4.316 2.198
195 HB2 LYS 26 2HB LYS 26 6.234 3.106 2.189
196 HB3 LYS 26 1HB LYS 26 5.879 4.815 2.392
197 HG2 LYS 26 2HG LYS 26 4.536 4.067 4.459
198 HG3 LYS 26 1HG LYS 26 5.415 2.547 4.301
199 HD2 LYS 26 2HD LYS 26 6.626 5.295 4.641
200 HD3 LYS 26 1HD LYS 26 6.554 4.037 5.867
201 HE2 LYS 26 2HE LYS 26 8.019 3.841 3.244
202 HE3 LYS 26 1HE LYS 26 8.765 4.271 4.779
203 HZ1 LYS 26 3HZ LYS 26 8.167 2.087 5.638
204 HZ2 LYS 26 1HZ LYS 26 9.092 1.924 4.243
205 HZ3 LYS 26 2HZ LYS 26 7.436 1.672 4.179
206 H LYS 27 H LYS 27 4.433 5.842 0.664
207 HA LYS 27 HA LYS 27 4.057 4.719 -1.939
208 HB2 LYS 27 2HB LYS 27 4.145 6.919 -2.810
209 HB3 LYS 27 1HB LYS 27 3.215 7.020 -1.325
210 HG2 LYS 27 2HG LYS 27 5.136 7.962 -0.167
211 HG3 LYS 27 1HG LYS 27 6.117 7.783 -1.622
212 HD2 LYS 27 2HD LYS 27 3.675 9.539 -1.319
213 HD3 LYS 27 1HD LYS 27 5.346 10.087 -1.359
214 HE2 LYS 27 2HE LYS 27 3.863 8.733 -3.636
215 HE3 LYS 27 1HE LYS 27 4.212 10.441 -3.485
216 HZ1 LYS 27 3HZ LYS 27 6.306 8.309 -3.827
217 HZ2 LYS 27 1HZ LYS 27 6.581 9.971 -3.657
218 HZ3 LYS 27 2HZ LYS 27 5.756 9.393 -4.971
219 H LYS 28 H LYS 28 5.542 4.713 -3.552
220 HA LYS 28 HA LYS 28 8.200 4.181 -2.730
221 HB2 LYS 28 2HB LYS 28 6.949 4.439 -5.472
222 HB3 LYS 28 1HB LYS 28 8.592 3.878 -5.183
223 HG2 LYS 28 2HG LYS 28 7.763 1.976 -3.932
224 HG3 LYS 28 1HG LYS 28 6.110 2.545 -4.106
225 HD2 LYS 28 2HD LYS 28 7.911 1.743 -6.396
226 HD3 LYS 28 1HD LYS 28 6.702 0.697 -5.655
227 HE2 LYS 28 2HE LYS 28 4.957 2.348 -6.279
228 HE3 LYS 28 1HE LYS 28 6.191 3.298 -7.106
229 HZ1 LYS 28 3HZ LYS 28 4.981 1.890 -8.647
230 HZ2 LYS 28 1HZ LYS 28 5.398 0.517 -7.787
231 HZ3 LYS 28 2HZ LYS 28 6.577 1.414 -8.585
232 H LEU 29 H LEU 29 9.835 5.523 -2.649
233 HA LEU 29 HA LEU 29 9.423 8.247 -3.614
234 HB2 LEU 29 2HB LEU 29 11.235 7.234 -1.418
235 HB3 LEU 29 1HB LEU 29 11.242 8.880 -2.013
236 HG LEU 29 HG LEU 29 8.965 7.512 -0.571
237 HD11 LEU 29 1HD1 LEU 29 9.430 9.129 1.195
238 HD12 LEU 29 2HD1 LEU 29 10.781 9.768 0.263
239 HD13 LEU 29 3HD1 LEU 29 10.839 8.117 0.879
240 HD21 LEU 29 3HD2 LEU 29 9.178 10.327 -1.644
241 HD22 LEU 29 1HD2 LEU 29 7.887 9.723 -0.605
242 HD23 LEU 29 2HD2 LEU 29 8.088 9.066 -2.224
243 H TRP 30 H TRP 30 10.400 8.693 -5.336
244 HA TRP 30 HA TRP 30 12.669 7.064 -6.202
245 HB2 TRP 30 2HB TRP 30 10.923 8.962 -7.771
246 HB3 TRP 30 1HB TRP 30 12.154 7.908 -8.450
247 HD1 TRP 30 HD TRP 30 8.571 8.022 -7.624
248 HE1 TRP 30 1HE TRP 30 7.480 5.696 -7.938
249 HE3 TRP 30 3HE TRP 30 12.813 5.223 -8.039
250 HZ2 TRP 30 2HZ TRP 30 8.350 3.023 -8.318
251 HZ3 TRP 30 3HZ TRP 30 12.605 2.796 -8.369
252 HH2 TRP 30 HH TRP 30 10.419 1.725 -8.502
Start of MODEL 11
1 H1 TYR 1 H TYR 1 -9.879 2.268 3.585
2 HA TYR 1 HA TYR 1 -10.662 1.213 1.748
3 HB2 TYR 1 2HB TYR 1 -11.808 3.910 0.984
4 HB3 TYR 1 1HB TYR 1 -12.116 2.401 0.136
5 HD1 TYR 1 2HD TYR 1 -13.458 0.622 1.240
6 HD2 TYR 1 1HD TYR 1 -12.971 4.463 2.999
7 HE1 TYR 1 2HE TYR 1 -15.368 0.183 2.706
8 HE2 TYR 1 1HE TYR 1 -14.877 4.037 4.472
9 HH TYR 1 HH TYR 1 -16.201 0.966 4.895
10 H CYS 2 H CYS 2 -9.010 4.175 1.598
11 HA CYS 2 HA CYS 2 -7.448 3.118 -0.613
12 HB2 CYS 2 2HB CYS 2 -8.913 4.868 -1.483
13 HB3 CYS 2 1HB CYS 2 -8.179 5.998 -0.310
14 H GLN 3 H GLN 3 -5.557 3.172 -0.317
15 HA GLN 3 HA GLN 3 -4.635 3.823 2.308
16 HB2 GLN 3 2HB GLN 3 -3.569 1.943 0.235
17 HB3 GLN 3 1HB GLN 3 -2.546 2.449 1.578
18 HG2 GLN 3 2HG GLN 3 -3.658 0.333 2.001
19 HG3 GLN 3 1HG GLN 3 -4.070 1.573 3.180
20 HE21 GLN 3 1HE2 GLN 3 -5.919 0.966 3.794
21 HE22 GLN 3 2HE2 GLN 3 -7.315 0.839 2.787
22 H LYS 4 H LYS 4 -3.917 5.992 2.246
23 HA LYS 4 HA LYS 4 -2.142 6.733 0.038
24 HB2 LYS 4 2HB LYS 4 -3.720 8.408 1.959
25 HB3 LYS 4 1HB LYS 4 -2.629 9.070 0.729
26 HG2 LYS 4 2HG LYS 4 -4.016 7.850 -0.971
27 HG3 LYS 4 1HG LYS 4 -5.152 7.495 0.331
28 HD2 LYS 4 2HD LYS 4 -4.237 10.207 -0.469
29 HD3 LYS 4 1HD LYS 4 -5.741 9.468 -1.037
30 HE2 LYS 4 2HE LYS 4 -6.501 9.332 1.320
31 HE3 LYS 4 1HE LYS 4 -5.012 10.132 1.823
32 HZ1 LYS 4 3HZ LYS 4 -6.914 11.644 1.637
33 HZ2 LYS 4 1HZ LYS 4 -7.022 11.313 -0.004
34 HZ3 LYS 4 2HZ LYS 4 -5.662 12.094 0.622
35 H TRP 5 H TRP 5 -0.185 6.545 0.401
36 HA TRP 5 HA TRP 5 1.808 6.130 1.417
37 HB2 TRP 5 2HB TRP 5 1.637 8.625 1.739
38 HB3 TRP 5 1HB TRP 5 0.932 8.342 3.318
39 HD1 TRP 5 HD TRP 5 4.086 6.311 2.157
40 HE1 TRP 5 1HE TRP 5 6.038 6.998 3.598
41 HE3 TRP 5 3HE TRP 5 1.876 10.125 4.774
42 HZ2 TRP 5 2HZ TRP 5 6.629 8.885 5.630
43 HZ3 TRP 5 3HZ TRP 5 3.227 11.313 6.472
44 HH2 TRP 5 HH TRP 5 5.554 10.693 6.881
45 H MET 6 H MET 6 2.084 6.504 4.476
46 HA MET 6 HA MET 6 1.913 3.773 4.993
47 HB2 MET 6 2HB MET 6 2.453 4.331 7.348
48 HB3 MET 6 1HB MET 6 3.518 5.077 6.168
49 HG2 MET 6 2HG MET 6 2.303 7.193 6.426
50 HG3 MET 6 1HG MET 6 1.256 6.437 7.624
51 HE1 MET 6 3HE MET 6 3.398 8.794 9.848
52 HE2 MET 6 1HE MET 6 1.772 8.277 9.405
53 HE3 MET 6 2HE MET 6 2.778 9.126 8.229
54 H TRP 7 H TRP 7 0.168 2.730 4.901
55 HA TRP 7 HA TRP 7 -1.960 3.195 6.879
56 HB2 TRP 7 2HB TRP 7 -2.363 2.940 3.897
57 HB3 TRP 7 1HB TRP 7 -3.591 2.400 5.023
58 HD1 TRP 7 HD TRP 7 -1.589 5.703 4.855
59 HE1 TRP 7 1HE TRP 7 -3.264 7.659 4.863
60 HE3 TRP 7 3HE TRP 7 -5.897 3.027 4.932
61 HZ2 TRP 7 2HZ TRP 7 -6.044 8.006 4.899
62 HZ3 TRP 7 3HZ TRP 7 -8.043 4.250 4.944
63 HH2 TRP 7 HH TRP 7 -8.084 6.697 4.923
64 H THR 8 H THR 8 -3.336 1.202 7.077
65 HA THR 8 HA THR 8 -1.660 -1.102 6.791
66 HB THR 8 HB THR 8 -3.599 -2.173 8.067
67 HG1 THR 8 1HG THR 8 -5.182 -0.669 7.578
68 HG21 THR 8 3HG2 THR 8 -1.532 -1.446 9.179
69 HG22 THR 8 1HG2 THR 8 -2.933 -1.139 10.204
70 HG23 THR 8 2HG2 THR 8 -2.180 0.188 9.321
71 H CYS 9 H CYS 9 -2.091 -2.787 5.406
72 HA CYS 9 HA CYS 9 -4.268 -2.350 3.510
73 HB2 CYS 9 2HB CYS 9 -2.780 -3.796 1.971
74 HB3 CYS 9 1HB CYS 9 -2.275 -2.146 2.291
75 H ASP 10 H ASP 10 -4.859 -4.535 2.370
76 HA ASP 10 HA ASP 10 -5.164 -6.591 4.442
77 HB2 ASP 10 2HB ASP 10 -7.301 -5.633 2.494
78 HB3 ASP 10 1HB ASP 10 -7.416 -7.072 3.467
79 H SER 11 H SER 11 -6.317 -8.545 2.968
80 HA SER 11 HA SER 11 -4.188 -9.190 1.171
81 HB2 SER 11 2HB SER 11 -5.349 -10.867 2.706
82 HB3 SER 11 1HB SER 11 -6.748 -10.754 1.642
83 HG SER 11 HG SER 11 -5.592 -11.654 0.008
84 H GLU 12 H GLU 12 -7.633 -8.480 0.935
85 HA GLU 12 HA GLU 12 -7.519 -8.420 -1.949
86 HB2 GLU 12 2HB GLU 12 -9.651 -7.778 0.035
87 HB3 GLU 12 1HB GLU 12 -9.898 -7.509 -1.675
88 HG2 GLU 12 2HG GLU 12 -9.281 -10.155 -0.344
89 HG3 GLU 12 1HG GLU 12 -10.864 -9.639 -0.924
90 H ARG 13 H ARG 13 -7.567 -6.115 0.694
91 HA ARG 13 HA ARG 13 -7.894 -3.845 -1.030
92 HB2 ARG 13 2HB ARG 13 -8.663 -3.880 1.373
93 HB3 ARG 13 1HB ARG 13 -6.970 -3.849 1.837
94 HG2 ARG 13 2HG ARG 13 -7.869 -1.639 2.020
95 HG3 ARG 13 1HG ARG 13 -6.700 -1.692 0.701
96 HD2 ARG 13 2HD ARG 13 -8.702 -0.401 0.112
97 HD3 ARG 13 1HD ARG 13 -8.513 -1.814 -0.922
98 HE ARG 13 HE ARG 13 -10.110 -2.687 1.073
99 HH11 ARG 13 1HH1 ARG 13 -10.362 -0.016 -1.223
100 HH12 ARG 13 2HH1 ARG 13 -12.057 0.040 -1.204
101 HH21 ARG 13 1HH2 ARG 13 -12.416 -2.563 1.196
102 HH22 ARG 13 2HH2 ARG 13 -13.276 -1.455 0.243
103 H LYS 14 H LYS 14 -6.361 -3.184 -2.266
104 HA LYS 14 HA LYS 14 -3.572 -3.697 -1.573
105 HB2 LYS 14 2HB LYS 14 -4.788 -2.803 -4.189
106 HB3 LYS 14 1HB LYS 14 -3.135 -3.368 -3.938
107 HG2 LYS 14 2HG LYS 14 -3.929 -5.573 -3.364
108 HG3 LYS 14 1HG LYS 14 -5.598 -5.029 -3.468
109 HD2 LYS 14 2HD LYS 14 -5.147 -4.507 -5.897
110 HD3 LYS 14 1HD LYS 14 -3.605 -5.338 -5.698
111 HE2 LYS 14 2HE LYS 14 -5.278 -6.873 -6.586
112 HE3 LYS 14 1HE LYS 14 -4.780 -7.361 -4.967
113 HZ1 LYS 14 3HZ LYS 14 -7.182 -7.515 -5.195
114 HZ2 LYS 14 1HZ LYS 14 -7.272 -5.904 -5.668
115 HZ3 LYS 14 2HZ LYS 14 -6.831 -6.301 -4.093
116 H CYS 15 H CYS 15 -2.053 -1.910 -2.152
117 HA CYS 15 HA CYS 15 -3.079 0.442 -0.869
118 HB2 CYS 15 2HB CYS 15 -0.257 -0.076 -1.803
119 HB3 CYS 15 1HB CYS 15 -0.801 1.083 -0.591
120 H CYS 16 H CYS 16 -3.635 2.258 -1.869
121 HA CYS 16 HA CYS 16 -3.992 2.530 -4.624
122 HB2 CYS 16 2HB CYS 16 -3.768 4.690 -2.532
123 HB3 CYS 16 1HB CYS 16 -4.452 4.884 -4.137
124 H GLU 17 H GLU 17 -3.059 4.244 -6.042
125 HA GLU 17 HA GLU 17 -1.429 5.352 -7.096
126 HB2 GLU 17 2HB GLU 17 -0.500 5.478 -4.327
127 HB3 GLU 17 1HB GLU 17 0.435 6.281 -5.607
128 HG2 GLU 17 2HG GLU 17 -2.438 6.800 -4.773
129 HG3 GLU 17 1HG GLU 17 -1.061 7.827 -4.385
130 H GLY 18 H GLY 18 -1.121 2.418 -6.160
131 HA2 GLY 18 2HA GLY 18 0.270 0.698 -6.798
132 HA3 GLY 18 1HA GLY 18 1.267 1.884 -7.644
133 H MET 19 H MET 19 0.310 1.582 -4.259
134 HA MET 19 HA MET 19 3.118 1.909 -3.586
135 HB2 MET 19 2HB MET 19 0.659 2.107 -1.834
136 HB3 MET 19 1HB MET 19 2.306 2.300 -1.250
137 HG2 MET 19 2HG MET 19 2.565 4.220 -2.825
138 HG3 MET 19 1HG MET 19 0.873 4.030 -3.243
139 HE1 MET 19 3HE MET 19 0.860 7.313 -1.161
140 HE2 MET 19 1HE MET 19 0.371 6.546 -2.670
141 HE3 MET 19 2HE MET 19 2.080 6.763 -2.311
142 H VAL 20 H VAL 20 3.912 0.597 -1.721
143 HA VAL 20 HA VAL 20 3.227 -2.142 -2.398
144 HB VAL 20 HB VAL 20 5.541 -1.689 -2.743
145 HG11 VAL 20 1HG1 VAL 20 5.861 0.279 -1.441
146 HG12 VAL 20 2HG1 VAL 20 7.048 -0.926 -0.919
147 HG13 VAL 20 3HG1 VAL 20 5.609 -0.615 0.051
148 HG21 VAL 20 3HG2 VAL 20 5.277 -3.217 -0.154
149 HG22 VAL 20 1HG2 VAL 20 6.674 -3.261 -1.230
150 HG23 VAL 20 2HG2 VAL 20 5.118 -3.884 -1.777
151 H CYS 21 H CYS 21 2.194 -3.464 -1.117
152 HA CYS 21 HA CYS 21 1.340 -2.641 1.488
153 HB2 CYS 21 2HB CYS 21 -0.195 -3.888 0.015
154 HB3 CYS 21 1HB CYS 21 0.941 -5.224 -0.050
155 H ARG 22 H ARG 22 2.060 -3.333 3.372
156 HA ARG 22 HA ARG 22 3.878 -5.488 3.844
157 HB2 ARG 22 2HB ARG 22 5.222 -3.466 2.765
158 HB3 ARG 22 1HB ARG 22 4.921 -2.679 4.304
159 HG2 ARG 22 2HG ARG 22 7.108 -3.623 4.377
160 HG3 ARG 22 1HG ARG 22 6.091 -4.621 5.412
161 HD2 ARG 22 2HD ARG 22 7.463 -6.078 4.112
162 HD3 ARG 22 1HD ARG 22 5.816 -6.190 3.494
163 HE ARG 22 HE ARG 22 7.536 -4.300 2.140
164 HH11 ARG 22 1HH1 ARG 22 6.197 -7.567 2.143
165 HH12 ARG 22 2HH1 ARG 22 6.598 -7.901 0.531
166 HH21 ARG 22 1HH2 ARG 22 8.121 -4.749 -0.083
167 HH22 ARG 22 2HH2 ARG 22 7.734 -6.251 -0.780
168 H LEU 23 H LEU 23 4.778 -3.889 6.232
169 HA LEU 23 HA LEU 23 2.541 -4.362 7.924
170 HB2 LEU 23 2HB LEU 23 4.906 -2.547 8.442
171 HB3 LEU 23 1HB LEU 23 3.787 -3.135 9.648
172 HG LEU 23 HG LEU 23 5.730 -4.815 8.076
173 HD11 LEU 23 1HD1 LEU 23 6.809 -5.122 10.247
174 HD12 LEU 23 2HD1 LEU 23 5.666 -3.983 10.959
175 HD13 LEU 23 3HD1 LEU 23 6.809 -3.435 9.735
176 HD21 LEU 23 3HD2 LEU 23 5.028 -6.639 9.571
177 HD22 LEU 23 1HD2 LEU 23 3.699 -6.067 8.562
178 HD23 LEU 23 2HD2 LEU 23 3.791 -5.585 10.253
179 H TRP 24 H TRP 24 3.795 -1.575 6.279
180 HA TRP 24 HA TRP 24 1.171 -0.351 6.397
181 HB2 TRP 24 2HB TRP 24 3.794 0.961 7.088
182 HB3 TRP 24 1HB TRP 24 2.490 1.919 6.423
183 HD1 TRP 24 HD TRP 24 0.286 2.172 7.962
184 HE1 TRP 24 1HE TRP 24 0.007 2.064 10.523
185 HE3 TRP 24 3HE TRP 24 4.633 -0.117 9.072
186 HZ2 TRP 24 2HZ TRP 24 1.503 1.103 12.748
187 HZ3 TRP 24 3HZ TRP 24 5.184 -0.620 11.444
188 HH2 TRP 24 HH TRP 24 3.633 -0.010 13.237
189 H CYS 25 H CYS 25 0.603 0.498 4.474
190 HA CYS 25 HA CYS 25 2.083 -0.060 2.113
191 HB2 CYS 25 2HB CYS 25 -0.098 1.995 2.561
192 HB3 CYS 25 1HB CYS 25 0.474 1.423 1.002
193 H LYS 26 H LYS 26 3.645 1.146 1.192
194 HA LYS 26 HA LYS 26 3.937 3.930 1.988
195 HB2 LYS 26 2HB LYS 26 6.170 1.882 1.942
196 HB3 LYS 26 1HB LYS 26 6.405 3.617 2.065
197 HG2 LYS 26 2HG LYS 26 5.360 3.691 4.204
198 HG3 LYS 26 1HG LYS 26 4.829 2.021 4.077
199 HD2 LYS 26 2HD LYS 26 6.753 2.087 5.525
200 HD3 LYS 26 1HD LYS 26 7.257 1.354 4.004
201 HE2 LYS 26 2HE LYS 26 8.984 2.890 4.549
202 HE3 LYS 26 1HE LYS 26 7.986 3.675 3.320
203 HZ1 LYS 26 3HZ LYS 26 6.878 4.941 5.089
204 HZ2 LYS 26 1HZ LYS 26 8.546 5.188 5.117
205 HZ3 LYS 26 2HZ LYS 26 7.842 4.180 6.226
206 H LYS 27 H LYS 27 5.180 5.132 0.403
207 HA LYS 27 HA LYS 27 4.417 4.232 -2.198
208 HB2 LYS 27 2HB LYS 27 5.131 6.447 -2.971
209 HB3 LYS 27 1HB LYS 27 4.036 6.553 -1.606
210 HG2 LYS 27 2HG LYS 27 5.945 6.983 -0.123
211 HG3 LYS 27 1HG LYS 27 7.027 6.916 -1.517
212 HD2 LYS 27 2HD LYS 27 5.733 8.769 -2.547
213 HD3 LYS 27 1HD LYS 27 4.769 8.868 -1.075
214 HE2 LYS 27 2HE LYS 27 6.478 10.570 -1.021
215 HE3 LYS 27 1HE LYS 27 6.833 9.352 0.198
216 HZ1 LYS 27 3HZ LYS 27 8.506 8.409 -1.210
217 HZ2 LYS 27 1HZ LYS 27 8.799 10.057 -1.095
218 HZ3 LYS 27 2HZ LYS 27 8.119 9.413 -2.493
219 H LYS 28 H LYS 28 5.709 3.936 -3.924
220 HA LYS 28 HA LYS 28 8.138 2.581 -3.376
221 HB2 LYS 28 2HB LYS 28 6.816 3.345 -5.968
222 HB3 LYS 28 1HB LYS 28 8.281 2.386 -5.867
223 HG2 LYS 28 2HG LYS 28 7.106 0.649 -4.669
224 HG3 LYS 28 1HG LYS 28 5.633 1.620 -4.660
225 HD2 LYS 28 2HD LYS 28 5.473 1.501 -7.050
226 HD3 LYS 28 1HD LYS 28 7.042 0.707 -7.168
227 HE2 LYS 28 2HE LYS 28 4.631 -0.430 -5.758
228 HE3 LYS 28 1HE LYS 28 5.114 -0.840 -7.401
229 HZ1 LYS 28 3HZ LYS 28 6.735 -1.342 -4.943
230 HZ2 LYS 28 1HZ LYS 28 7.209 -1.695 -6.517
231 HZ3 LYS 28 2HZ LYS 28 5.908 -2.498 -5.854
232 H LEU 29 H LEU 29 9.733 3.732 -2.730
233 HA LEU 29 HA LEU 29 10.444 6.266 -3.926
234 HB2 LEU 29 2HB LEU 29 10.693 5.801 -1.484
235 HB3 LEU 29 1HB LEU 29 11.867 4.566 -1.871
236 HG LEU 29 HG LEU 29 13.351 6.304 -2.820
237 HD11 LEU 29 1HD1 LEU 29 11.711 7.959 -3.452
238 HD12 LEU 29 2HD1 LEU 29 12.857 8.668 -2.311
239 HD13 LEU 29 3HD1 LEU 29 11.252 8.187 -1.767
240 HD21 LEU 29 3HD2 LEU 29 14.001 7.279 -0.667
241 HD22 LEU 29 1HD2 LEU 29 13.635 5.559 -0.519
242 HD23 LEU 29 2HD2 LEU 29 12.465 6.760 0.027
243 H TRP 30 H TRP 30 11.428 2.948 -3.773
244 HA TRP 30 HA TRP 30 13.143 3.290 -6.113
245 HB2 TRP 30 2HB TRP 30 14.635 3.228 -4.204
246 HB3 TRP 30 1HB TRP 30 13.839 1.806 -3.565
247 HD1 TRP 30 HD TRP 30 15.834 2.842 -6.580
248 HE1 TRP 30 1HE TRP 30 17.311 0.821 -7.358
249 HE3 TRP 30 3HE TRP 30 14.157 -0.600 -3.282
250 HZ2 TRP 30 2HZ TRP 30 17.655 -1.888 -6.592
251 HZ3 TRP 30 3HZ TRP 30 15.087 -2.875 -3.335
252 HH2 TRP 30 HH TRP 30 16.799 -3.500 -4.957
Start of MODEL 12
1 H1 TYR 1 H TYR 1 -9.780 3.677 2.411
2 HA TYR 1 HA TYR 1 -11.155 2.345 0.918
3 HB2 TYR 1 2HB TYR 1 -12.597 4.283 0.278
4 HB3 TYR 1 1HB TYR 1 -11.243 4.965 -0.608
5 HD1 TYR 1 2HD TYR 1 -13.625 2.140 -0.507
6 HD2 TYR 1 1HD TYR 1 -10.761 4.265 -2.823
7 HE1 TYR 1 2HE TYR 1 -14.325 0.900 -2.495
8 HE2 TYR 1 1HE TYR 1 -11.450 3.031 -4.821
9 HH TYR 1 HH TYR 1 -14.264 1.134 -4.953
10 H CYS 2 H CYS 2 -8.926 4.872 0.341
11 HA CYS 2 HA CYS 2 -7.118 2.979 -0.884
12 HB2 CYS 2 2HB CYS 2 -7.869 5.667 -1.885
13 HB3 CYS 2 1HB CYS 2 -6.230 5.093 -2.174
14 H GLN 3 H GLN 3 -5.034 3.257 -0.547
15 HA GLN 3 HA GLN 3 -4.495 4.115 2.156
16 HB2 GLN 3 2HB GLN 3 -2.994 2.480 0.107
17 HB3 GLN 3 1HB GLN 3 -2.325 2.873 1.671
18 HG2 GLN 3 2HG GLN 3 -3.343 0.539 1.347
19 HG3 GLN 3 1HG GLN 3 -3.805 1.397 2.797
20 HE21 GLN 3 1HE2 GLN 3 -5.917 1.873 3.110
21 HE22 GLN 3 2HE2 GLN 3 -7.203 1.400 2.077
22 H LYS 4 H LYS 4 -3.885 6.209 2.351
23 HA LYS 4 HA LYS 4 -2.141 7.414 0.283
24 HB2 LYS 4 2HB LYS 4 -3.588 8.676 2.603
25 HB3 LYS 4 1HB LYS 4 -2.646 9.539 1.391
26 HG2 LYS 4 2HG LYS 4 -4.286 8.805 -0.298
27 HG3 LYS 4 1HG LYS 4 -5.231 8.063 1.003
28 HD2 LYS 4 2HD LYS 4 -5.254 10.256 2.144
29 HD3 LYS 4 1HD LYS 4 -4.468 10.934 0.720
30 HE2 LYS 4 2HE LYS 4 -6.369 10.269 -0.665
31 HE3 LYS 4 1HE LYS 4 -7.125 9.539 0.757
32 HZ1 LYS 4 3HZ LYS 4 -7.200 11.754 1.765
33 HZ2 LYS 4 1HZ LYS 4 -8.091 11.693 0.336
34 HZ3 LYS 4 2HZ LYS 4 -6.576 12.433 0.356
35 H TRP 5 H TRP 5 -0.168 7.224 0.680
36 HA TRP 5 HA TRP 5 1.787 6.620 1.684
37 HB2 TRP 5 2HB TRP 5 1.625 9.040 2.343
38 HB3 TRP 5 1HB TRP 5 0.818 8.563 3.826
39 HD1 TRP 5 HD TRP 5 3.960 6.779 2.454
40 HE1 TRP 5 1HE TRP 5 5.854 7.021 4.201
41 HE3 TRP 5 3HE TRP 5 1.652 9.920 5.723
42 HZ2 TRP 5 2HZ TRP 5 6.298 8.356 6.623
43 HZ3 TRP 5 3HZ TRP 5 2.868 10.634 7.735
44 HH2 TRP 5 HH TRP 5 5.154 9.862 8.172
45 H MET 6 H MET 6 1.998 6.543 4.758
46 HA MET 6 HA MET 6 1.780 3.797 4.898
47 HB2 MET 6 2HB MET 6 2.251 4.021 7.343
48 HB3 MET 6 1HB MET 6 3.383 4.861 6.300
49 HG2 MET 6 2HG MET 6 2.320 6.988 6.820
50 HG3 MET 6 1HG MET 6 1.104 6.164 7.789
51 HE1 MET 6 3HE MET 6 2.842 3.978 9.398
52 HE2 MET 6 1HE MET 6 1.575 5.000 10.085
53 HE3 MET 6 2HE MET 6 3.151 4.917 10.859
54 H TRP 7 H TRP 7 -0.038 2.815 4.659
55 HA TRP 7 HA TRP 7 -2.130 3.090 6.723
56 HB2 TRP 7 2HB TRP 7 -2.548 2.871 3.732
57 HB3 TRP 7 1HB TRP 7 -3.765 2.296 4.849
58 HD1 TRP 7 HD TRP 7 -1.848 5.648 4.834
59 HE1 TRP 7 1HE TRP 7 -3.573 7.575 4.735
60 HE3 TRP 7 3HE TRP 7 -6.125 2.917 4.547
61 HZ2 TRP 7 2HZ TRP 7 -6.337 7.884 4.553
62 HZ3 TRP 7 3HZ TRP 7 -8.276 4.102 4.407
63 HH2 TRP 7 HH TRP 7 -8.363 6.548 4.411
64 H THR 8 H THR 8 -3.427 0.977 6.776
65 HA THR 8 HA THR 8 -1.513 -1.157 6.524
66 HB THR 8 HB THR 8 -3.458 -2.400 7.714
67 HG1 THR 8 1HG THR 8 -5.138 -1.079 7.537
68 HG21 THR 8 3HG2 THR 8 -2.036 -0.081 9.046
69 HG22 THR 8 1HG2 THR 8 -1.382 -1.705 8.839
70 HG23 THR 8 2HG2 THR 8 -2.774 -1.442 9.890
71 H CYS 9 H CYS 9 -1.936 -3.119 5.358
72 HA CYS 9 HA CYS 9 -4.026 -2.881 3.324
73 HB2 CYS 9 2HB CYS 9 -2.467 -4.106 1.794
74 HB3 CYS 9 1HB CYS 9 -1.917 -2.494 2.235
75 H ASP 10 H ASP 10 -4.578 -5.071 2.370
76 HA ASP 10 HA ASP 10 -4.253 -7.321 4.187
77 HB2 ASP 10 2HB ASP 10 -6.941 -6.123 3.462
78 HB3 ASP 10 1HB ASP 10 -6.755 -7.752 4.084
79 H SER 11 H SER 11 -5.835 -9.134 3.049
80 HA SER 11 HA SER 11 -4.646 -9.687 0.595
81 HB2 SER 11 2HB SER 11 -6.477 -11.452 0.518
82 HB3 SER 11 1HB SER 11 -5.443 -11.471 1.949
83 HG SER 11 HG SER 11 -8.106 -11.109 1.769
84 H GLU 12 H GLU 12 -7.762 -8.304 1.443
85 HA GLU 12 HA GLU 12 -8.485 -7.988 -1.352
86 HB2 GLU 12 2HB GLU 12 -9.930 -7.285 1.174
87 HB3 GLU 12 1HB GLU 12 -10.598 -7.086 -0.427
88 HG2 GLU 12 2HG GLU 12 -9.801 -9.671 0.898
89 HG3 GLU 12 1HG GLU 12 -11.443 -9.105 0.601
90 H ARG 13 H ARG 13 -6.745 -6.254 0.899
91 HA ARG 13 HA ARG 13 -7.659 -3.747 -0.264
92 HB2 ARG 13 2HB ARG 13 -7.840 -3.997 2.216
93 HB3 ARG 13 1HB ARG 13 -6.083 -4.050 2.280
94 HG2 ARG 13 2HG ARG 13 -6.798 -1.821 2.774
95 HG3 ARG 13 1HG ARG 13 -6.034 -1.843 1.186
96 HD2 ARG 13 2HD ARG 13 -8.102 -0.504 1.217
97 HD3 ARG 13 1HD ARG 13 -8.176 -1.841 0.079
98 HE ARG 13 HE ARG 13 -9.246 -2.618 2.570
99 HH11 ARG 13 1HH1 ARG 13 -10.041 -0.797 -0.359
100 HH12 ARG 13 2HH1 ARG 13 -11.725 -0.840 -0.103
101 HH21 ARG 13 1HH2 ARG 13 -11.585 -2.577 2.973
102 HH22 ARG 13 2HH2 ARG 13 -12.615 -1.811 1.865
103 H LYS 14 H LYS 14 -6.481 -3.253 -1.846
104 HA LYS 14 HA LYS 14 -3.605 -3.792 -1.866
105 HB2 LYS 14 2HB LYS 14 -3.613 -3.394 -4.250
106 HB3 LYS 14 1HB LYS 14 -4.947 -4.469 -3.894
107 HG2 LYS 14 2HG LYS 14 -5.287 -1.498 -4.276
108 HG3 LYS 14 1HG LYS 14 -5.377 -2.649 -5.604
109 HD2 LYS 14 2HD LYS 14 -7.295 -3.725 -4.521
110 HD3 LYS 14 1HD LYS 14 -7.170 -2.594 -3.172
111 HE2 LYS 14 2HE LYS 14 -7.637 -0.735 -4.597
112 HE3 LYS 14 1HE LYS 14 -7.606 -1.760 -6.023
113 HZ1 LYS 14 3HZ LYS 14 -9.564 -1.976 -3.798
114 HZ2 LYS 14 1HZ LYS 14 -9.540 -2.915 -5.193
115 HZ3 LYS 14 2HZ LYS 14 -9.862 -1.272 -5.302
116 H CYS 15 H CYS 15 -2.119 -2.109 -2.116
117 HA CYS 15 HA CYS 15 -3.057 0.330 -0.950
118 HB2 CYS 15 2HB CYS 15 -0.261 -0.226 -1.902
119 HB3 CYS 15 1HB CYS 15 -0.845 0.876 -0.646
120 H CYS 16 H CYS 16 -3.884 1.812 -2.119
121 HA CYS 16 HA CYS 16 -3.721 2.029 -4.934
122 HB2 CYS 16 2HB CYS 16 -4.718 3.994 -2.886
123 HB3 CYS 16 1HB CYS 16 -4.969 4.180 -4.616
124 H GLU 17 H GLU 17 -3.065 3.972 -6.141
125 HA GLU 17 HA GLU 17 -1.609 5.422 -6.959
126 HB2 GLU 17 2HB GLU 17 -2.023 6.654 -4.772
127 HB3 GLU 17 1HB GLU 17 -0.568 5.889 -4.148
128 HG2 GLU 17 2HG GLU 17 0.709 6.983 -5.990
129 HG3 GLU 17 1HG GLU 17 -0.768 7.815 -6.452
130 H GLY 18 H GLY 18 -1.036 2.607 -6.301
131 HA2 GLY 18 2HA GLY 18 0.636 1.097 -6.767
132 HA3 GLY 18 1HA GLY 18 1.544 2.445 -7.444
133 H MET 19 H MET 19 0.449 1.434 -4.242
134 HA MET 19 HA MET 19 3.172 1.949 -3.291
135 HB2 MET 19 2HB MET 19 0.565 2.012 -1.750
136 HB3 MET 19 1HB MET 19 2.157 2.191 -1.019
137 HG2 MET 19 2HG MET 19 2.518 4.192 -2.427
138 HG3 MET 19 1HG MET 19 0.867 4.029 -3.015
139 HE1 MET 19 3HE MET 19 0.691 7.183 -0.748
140 HE2 MET 19 1HE MET 19 0.294 6.493 -2.318
141 HE3 MET 19 2HE MET 19 1.972 6.668 -1.830
142 H VAL 20 H VAL 20 3.910 0.477 -1.576
143 HA VAL 20 HA VAL 20 3.184 -2.204 -2.425
144 HB VAL 20 HB VAL 20 5.236 -2.973 -1.271
145 HG11 VAL 20 1HG1 VAL 20 5.291 -2.384 -3.624
146 HG12 VAL 20 2HG1 VAL 20 6.815 -1.996 -2.833
147 HG13 VAL 20 3HG1 VAL 20 5.665 -0.709 -3.209
148 HG21 VAL 20 3HG2 VAL 20 5.707 -0.031 -0.743
149 HG22 VAL 20 1HG2 VAL 20 6.876 -1.325 -0.466
150 HG23 VAL 20 2HG2 VAL 20 5.382 -1.266 0.473
151 H CYS 21 H CYS 21 2.525 -3.819 -1.123
152 HA CYS 21 HA CYS 21 1.262 -3.019 1.341
153 HB2 CYS 21 2HB CYS 21 0.055 -4.487 -0.233
154 HB3 CYS 21 1HB CYS 21 1.320 -5.695 -0.081
155 H ARG 22 H ARG 22 2.035 -3.347 3.278
156 HA ARG 22 HA ARG 22 4.064 -5.292 3.931
157 HB2 ARG 22 2HB ARG 22 5.002 -3.022 2.846
158 HB3 ARG 22 1HB ARG 22 4.699 -2.410 4.461
159 HG2 ARG 22 2HG ARG 22 7.018 -3.070 4.155
160 HG3 ARG 22 1HG ARG 22 6.237 -4.065 5.382
161 HD2 ARG 22 2HD ARG 22 7.682 -5.340 3.762
162 HD3 ARG 22 1HD ARG 22 6.024 -5.908 3.854
163 HE ARG 22 HE ARG 22 5.582 -4.969 1.764
164 HH11 ARG 22 1HH1 ARG 22 9.006 -4.611 2.644
165 HH12 ARG 22 2HH1 ARG 22 9.552 -4.453 1.053
166 HH21 ARG 22 1HH2 ARG 22 6.353 -4.782 -0.454
167 HH22 ARG 22 2HH2 ARG 22 8.008 -4.530 -0.743
168 H LEU 23 H LEU 23 4.694 -3.822 6.417
169 HA LEU 23 HA LEU 23 2.366 -4.228 7.966
170 HB2 LEU 23 2HB LEU 23 4.675 -2.347 8.584
171 HB3 LEU 23 1HB LEU 23 3.482 -2.902 9.724
172 HG LEU 23 HG LEU 23 5.530 -4.653 8.376
173 HD11 LEU 23 1HD1 LEU 23 5.352 -3.625 11.197
174 HD12 LEU 23 2HD1 LEU 23 6.523 -3.122 9.977
175 HD13 LEU 23 3HD1 LEU 23 6.541 -4.775 10.587
176 HD21 LEU 23 3HD2 LEU 23 3.481 -5.874 8.882
177 HD22 LEU 23 1HD2 LEU 23 3.511 -5.259 10.536
178 HD23 LEU 23 2HD2 LEU 23 4.777 -6.350 9.977
179 H TRP 24 H TRP 24 3.747 -1.460 6.385
180 HA TRP 24 HA TRP 24 1.108 -0.268 6.266
181 HB2 TRP 24 2HB TRP 24 3.659 1.115 7.049
182 HB3 TRP 24 1HB TRP 24 2.341 2.006 6.312
183 HD1 TRP 24 HD TRP 24 0.014 2.060 7.725
184 HE1 TRP 24 1HE TRP 24 -0.369 2.012 10.283
185 HE3 TRP 24 3HE TRP 24 4.534 0.277 9.103
186 HZ2 TRP 24 2HZ TRP 24 1.130 1.305 12.592
187 HZ3 TRP 24 3HZ TRP 24 5.024 -0.067 11.505
188 HH2 TRP 24 HH TRP 24 3.356 0.439 13.201
189 H CYS 25 H CYS 25 0.584 0.425 4.340
190 HA CYS 25 HA CYS 25 2.145 -0.128 2.045
191 HB2 CYS 25 2HB CYS 25 -0.186 1.777 2.354
192 HB3 CYS 25 1HB CYS 25 0.460 1.160 0.841
193 H LYS 26 H LYS 26 3.740 1.072 1.252
194 HA LYS 26 HA LYS 26 3.674 3.927 1.684
195 HB2 LYS 26 2HB LYS 26 6.090 2.189 2.204
196 HB3 LYS 26 1HB LYS 26 6.183 3.923 1.962
197 HG2 LYS 26 2HG LYS 26 4.666 4.218 3.913
198 HG3 LYS 26 1HG LYS 26 4.776 2.479 4.194
199 HD2 LYS 26 2HD LYS 26 7.147 2.634 4.533
200 HD3 LYS 26 1HD LYS 26 7.138 4.337 4.074
201 HE2 LYS 26 2HE LYS 26 5.639 4.778 6.007
202 HE3 LYS 26 1HE LYS 26 5.846 3.100 6.501
203 HZ1 LYS 26 3HZ LYS 26 7.332 4.624 7.668
204 HZ2 LYS 26 1HZ LYS 26 8.025 5.095 6.220
205 HZ3 LYS 26 2HZ LYS 26 8.227 3.517 6.779
206 H LYS 27 H LYS 27 5.254 5.008 0.242
207 HA LYS 27 HA LYS 27 4.667 3.983 -2.397
208 HB2 LYS 27 2HB LYS 27 5.208 6.288 -3.118
209 HB3 LYS 27 1HB LYS 27 3.921 6.198 -1.928
210 HG2 LYS 27 2HG LYS 27 5.511 6.866 -0.180
211 HG3 LYS 27 1HG LYS 27 6.778 6.991 -1.404
212 HD2 LYS 27 2HD LYS 27 5.502 8.691 -2.574
213 HD3 LYS 27 1HD LYS 27 4.197 8.547 -1.397
214 HE2 LYS 27 2HE LYS 27 5.765 9.269 0.373
215 HE3 LYS 27 1HE LYS 27 7.016 9.477 -0.853
216 HZ1 LYS 27 3HZ LYS 27 5.937 11.557 -0.327
217 HZ2 LYS 27 1HZ LYS 27 4.433 10.937 -0.754
218 HZ3 LYS 27 2HZ LYS 27 5.637 11.145 -1.923
219 H LYS 28 H LYS 28 6.402 5.120 -3.960
220 HA LYS 28 HA LYS 28 8.717 3.539 -3.886
221 HB2 LYS 28 2HB LYS 28 9.405 4.844 -5.852
222 HB3 LYS 28 1HB LYS 28 7.732 4.320 -5.976
223 HG2 LYS 28 2HG LYS 28 6.987 6.573 -5.316
224 HG3 LYS 28 1HG LYS 28 8.667 7.088 -5.205
225 HD2 LYS 28 2HD LYS 28 7.781 7.824 -7.316
226 HD3 LYS 28 1HD LYS 28 8.935 6.528 -7.618
227 HE2 LYS 28 2HE LYS 28 6.988 6.219 -9.019
228 HE3 LYS 28 1HE LYS 28 7.044 4.938 -7.813
229 HZ1 LYS 28 3HZ LYS 28 5.372 6.158 -6.528
230 HZ2 LYS 28 1HZ LYS 28 4.806 5.813 -8.066
231 HZ3 LYS 28 2HZ LYS 28 5.319 7.359 -7.714
232 H LEU 29 H LEU 29 10.847 4.112 -3.555
233 HA LEU 29 HA LEU 29 11.303 5.800 -1.377
234 HB2 LEU 29 2HB LEU 29 13.241 4.503 -3.288
235 HB3 LEU 29 1HB LEU 29 13.780 5.513 -1.969
236 HG LEU 29 HG LEU 29 12.667 3.906 -0.382
237 HD11 LEU 29 1HD1 LEU 29 12.140 1.660 -1.149
238 HD12 LEU 29 2HD1 LEU 29 12.408 2.161 -2.818
239 HD13 LEU 29 3HD1 LEU 29 11.080 2.861 -1.890
240 HD21 LEU 29 3HD2 LEU 29 14.431 2.219 -0.544
241 HD22 LEU 29 1HD2 LEU 29 15.057 3.853 -0.764
242 HD23 LEU 29 2HD2 LEU 29 14.830 2.799 -2.161
243 H TRP 30 H TRP 30 11.067 7.828 -1.403
244 HA TRP 30 HA TRP 30 11.816 9.422 -3.746
245 HB2 TRP 30 2HB TRP 30 9.481 9.582 -2.965
246 HB3 TRP 30 1HB TRP 30 10.031 10.112 -1.392
247 HD1 TRP 30 HD TRP 30 9.460 11.263 -4.885
248 HE1 TRP 30 1HE TRP 30 9.637 13.855 -4.988
249 HE3 TRP 30 3HE TRP 30 11.264 12.130 -0.206
250 HZ2 TRP 30 2HZ TRP 30 10.442 15.954 -3.296
251 HZ3 TRP 30 3HZ TRP 30 11.717 14.456 0.482
252 HH2 TRP 30 HH TRP 30 11.310 16.318 -1.033
Start of MODEL 13
1 H1 TYR 1 H TYR 1 -10.475 6.520 1.425
2 HA TYR 1 HA TYR 1 -11.477 4.343 1.498
3 HB2 TYR 1 2HB TYR 1 -11.127 4.379 -1.508
4 HB3 TYR 1 1HB TYR 1 -11.848 3.108 -0.542
5 HD1 TYR 1 2HD TYR 1 -14.115 3.401 0.388
6 HD2 TYR 1 1HD TYR 1 -12.349 6.302 -2.162
7 HE1 TYR 1 2HE TYR 1 -16.329 4.376 -0.029
8 HE2 TYR 1 1HE TYR 1 -14.534 7.276 -2.593
9 HH TYR 1 HH TYR 1 -17.296 6.509 -0.766
10 H CYS 2 H CYS 2 -8.981 5.650 -0.425
11 HA CYS 2 HA CYS 2 -7.467 3.201 -0.391
12 HB2 CYS 2 2HB CYS 2 -7.146 5.716 -1.959
13 HB3 CYS 2 1HB CYS 2 -5.876 4.504 -1.855
14 H GLN 3 H GLN 3 -5.299 3.157 -0.082
15 HA GLN 3 HA GLN 3 -4.548 4.166 2.492
16 HB2 GLN 3 2HB GLN 3 -3.424 2.228 0.495
17 HB3 GLN 3 1HB GLN 3 -2.534 2.636 1.931
18 HG2 GLN 3 2HG GLN 3 -3.734 0.479 2.079
19 HG3 GLN 3 1HG GLN 3 -4.252 1.610 3.315
20 HE21 GLN 3 1HE2 GLN 3 -6.316 2.329 3.317
21 HE22 GLN 3 2HE2 GLN 3 -7.536 1.702 2.296
22 H LYS 4 H LYS 4 -3.783 6.257 2.321
23 HA LYS 4 HA LYS 4 -1.961 6.840 0.112
24 HB2 LYS 4 2HB LYS 4 -3.452 8.646 1.973
25 HB3 LYS 4 1HB LYS 4 -2.331 9.193 0.730
26 HG2 LYS 4 2HG LYS 4 -3.714 8.241 -1.003
27 HG3 LYS 4 1HG LYS 4 -4.821 7.589 0.210
28 HD2 LYS 4 2HD LYS 4 -4.125 10.443 -0.051
29 HD3 LYS 4 1HD LYS 4 -5.514 9.733 -0.899
30 HE2 LYS 4 2HE LYS 4 -5.088 9.800 2.118
31 HE3 LYS 4 1HE LYS 4 -6.196 10.830 1.227
32 HZ1 LYS 4 3HZ LYS 4 -6.435 7.843 1.379
33 HZ2 LYS 4 1HZ LYS 4 -7.468 8.916 0.589
34 HZ3 LYS 4 2HZ LYS 4 -7.338 8.969 2.251
35 H TRP 5 H TRP 5 -0.058 6.653 0.510
36 HA TRP 5 HA TRP 5 1.930 6.206 1.521
37 HB2 TRP 5 2HB TRP 5 1.320 8.750 2.221
38 HB3 TRP 5 1HB TRP 5 1.418 8.024 3.824
39 HD1 TRP 5 HD TRP 5 3.894 5.993 3.158
40 HE1 TRP 5 1HE TRP 5 6.242 6.987 2.888
41 HE3 TRP 5 3HE TRP 5 2.617 10.852 2.191
42 HZ2 TRP 5 2HZ TRP 5 7.409 9.505 2.347
43 HZ3 TRP 5 3HZ TRP 5 4.418 12.486 1.810
44 HH2 TRP 5 HH TRP 5 6.762 11.816 1.891
45 H MET 6 H MET 6 2.156 6.452 4.598
46 HA MET 6 HA MET 6 1.792 3.669 4.933
47 HB2 MET 6 2HB MET 6 2.529 3.941 7.255
48 HB3 MET 6 1HB MET 6 3.605 4.710 6.104
49 HG2 MET 6 2HG MET 6 2.625 6.886 6.672
50 HG3 MET 6 1HG MET 6 1.573 6.095 7.841
51 HE1 MET 6 3HE MET 6 3.576 3.858 9.062
52 HE2 MET 6 1HE MET 6 2.449 4.835 10.008
53 HE3 MET 6 2HE MET 6 4.146 4.743 10.472
54 H TRP 7 H TRP 7 0.028 2.773 4.879
55 HA TRP 7 HA TRP 7 -1.994 3.307 6.965
56 HB2 TRP 7 2HB TRP 7 -2.499 3.022 4.001
57 HB3 TRP 7 1HB TRP 7 -3.763 2.593 5.125
58 HD1 TRP 7 HD TRP 7 -1.503 5.741 5.044
59 HE1 TRP 7 1HE TRP 7 -3.007 7.807 4.932
60 HE3 TRP 7 3HE TRP 7 -6.007 3.417 4.841
61 HZ2 TRP 7 2HZ TRP 7 -5.746 8.387 4.772
62 HZ3 TRP 7 3HZ TRP 7 -8.038 4.807 4.690
63 HH2 TRP 7 HH TRP 7 -7.886 7.245 4.662
64 H THR 8 H THR 8 -3.652 1.296 6.806
65 HA THR 8 HA THR 8 -1.931 -0.996 6.927
66 HB THR 8 HB THR 8 -4.074 -2.012 7.929
67 HG1 THR 8 1HG THR 8 -5.768 -0.771 7.871
68 HG21 THR 8 3HG2 THR 8 -3.699 -0.915 10.109
69 HG22 THR 8 1HG2 THR 8 -2.792 0.363 9.302
70 HG23 THR 8 2HG2 THR 8 -2.169 -1.286 9.314
71 H CYS 9 H CYS 9 -2.327 -2.870 5.667
72 HA CYS 9 HA CYS 9 -4.273 -2.512 3.508
73 HB2 CYS 9 2HB CYS 9 -2.640 -3.693 2.013
74 HB3 CYS 9 1HB CYS 9 -2.160 -2.076 2.508
75 H ASP 10 H ASP 10 -4.820 -4.534 2.413
76 HA ASP 10 HA ASP 10 -4.731 -6.867 4.194
77 HB2 ASP 10 2HB ASP 10 -7.082 -5.785 2.601
78 HB3 ASP 10 1HB ASP 10 -7.032 -7.420 3.233
79 H SER 11 H SER 11 -5.412 -8.836 2.731
80 HA SER 11 HA SER 11 -3.735 -8.789 0.417
81 HB2 SER 11 2HB SER 11 -5.727 -10.880 1.319
82 HB3 SER 11 1HB SER 11 -4.388 -11.113 0.193
83 HG SER 11 HG SER 11 -3.227 -10.147 2.278
84 H GLU 12 H GLU 12 -7.026 -8.274 1.166
85 HA GLU 12 HA GLU 12 -7.972 -8.560 -1.570
86 HB2 GLU 12 2HB GLU 12 -9.453 -7.790 0.942
87 HB3 GLU 12 1HB GLU 12 -10.183 -8.167 -0.613
88 HG2 GLU 12 2HG GLU 12 -8.568 -10.082 1.055
89 HG3 GLU 12 1HG GLU 12 -10.328 -10.029 0.982
90 H ARG 13 H ARG 13 -7.140 -6.108 0.731
91 HA ARG 13 HA ARG 13 -8.064 -4.015 -1.106
92 HB2 ARG 13 2HB ARG 13 -8.899 -4.104 1.326
93 HB3 ARG 13 1HB ARG 13 -7.264 -3.643 1.769
94 HG2 ARG 13 2HG ARG 13 -8.493 -1.645 1.727
95 HG3 ARG 13 1HG ARG 13 -7.538 -1.655 0.255
96 HD2 ARG 13 2HD ARG 13 -9.879 -0.935 -0.155
97 HD3 ARG 13 1HD ARG 13 -9.451 -2.386 -1.060
98 HE ARG 13 HE ARG 13 -10.555 -3.221 1.344
99 HH11 ARG 13 1HH1 ARG 13 -11.735 -1.447 -1.490
100 HH12 ARG 13 2HH1 ARG 13 -13.328 -2.011 -1.330
101 HH21 ARG 13 1HH2 ARG 13 -12.707 -3.954 1.548
102 HH22 ARG 13 2HH2 ARG 13 -13.916 -3.438 0.473
103 H LYS 14 H LYS 14 -6.390 -3.347 -2.296
104 HA LYS 14 HA LYS 14 -3.713 -3.660 -1.168
105 HB2 LYS 14 2HB LYS 14 -2.837 -3.427 -3.423
106 HB3 LYS 14 1HB LYS 14 -3.984 -4.748 -3.315
107 HG2 LYS 14 2HG LYS 14 -5.694 -3.387 -4.385
108 HG3 LYS 14 1HG LYS 14 -4.581 -2.017 -4.456
109 HD2 LYS 14 2HD LYS 14 -4.116 -4.690 -5.785
110 HD3 LYS 14 1HD LYS 14 -4.767 -3.267 -6.595
111 HE2 LYS 14 2HE LYS 14 -2.722 -2.053 -6.218
112 HE3 LYS 14 1HE LYS 14 -2.068 -3.352 -5.231
113 HZ1 LYS 14 3HZ LYS 14 -2.705 -3.550 -8.124
114 HZ2 LYS 14 1HZ LYS 14 -2.086 -4.781 -7.160
115 HZ3 LYS 14 2HZ LYS 14 -1.165 -3.412 -7.453
116 H CYS 15 H CYS 15 -2.123 -2.029 -1.636
117 HA CYS 15 HA CYS 15 -3.088 0.502 -0.789
118 HB2 CYS 15 2HB CYS 15 -0.301 -0.179 -1.694
119 HB3 CYS 15 1HB CYS 15 -0.831 1.052 -0.542
120 H CYS 16 H CYS 16 -3.806 1.978 -2.094
121 HA CYS 16 HA CYS 16 -3.712 1.729 -4.937
122 HB2 CYS 16 2HB CYS 16 -4.702 4.031 -3.273
123 HB3 CYS 16 1HB CYS 16 -5.034 3.780 -4.976
124 H GLU 17 H GLU 17 -3.179 3.676 -6.346
125 HA GLU 17 HA GLU 17 -1.737 5.089 -7.283
126 HB2 GLU 17 2HB GLU 17 -2.088 6.374 -5.079
127 HB3 GLU 17 1HB GLU 17 -0.568 5.671 -4.552
128 HG2 GLU 17 2HG GLU 17 0.492 6.724 -6.579
129 HG3 GLU 17 1HG GLU 17 -1.023 7.586 -6.824
130 H GLY 18 H GLY 18 -1.154 2.298 -6.466
131 HA2 GLY 18 2HA GLY 18 0.489 0.776 -6.947
132 HA3 GLY 18 1HA GLY 18 1.408 2.108 -7.640
133 H MET 19 H MET 19 0.245 1.645 -4.359
134 HA MET 19 HA MET 19 2.983 2.031 -3.444
135 HB2 MET 19 2HB MET 19 0.336 2.191 -1.988
136 HB3 MET 19 1HB MET 19 1.887 2.330 -1.168
137 HG2 MET 19 2HG MET 19 2.410 4.303 -2.533
138 HG3 MET 19 1HG MET 19 0.859 4.147 -3.346
139 HE1 MET 19 3HE MET 19 1.808 6.864 -2.074
140 HE2 MET 19 1HE MET 19 0.355 7.380 -1.219
141 HE3 MET 19 2HE MET 19 0.225 6.660 -2.821
142 H VAL 20 H VAL 20 3.633 0.671 -1.549
143 HA VAL 20 HA VAL 20 2.986 -2.065 -2.338
144 HB VAL 20 HB VAL 20 5.120 -2.731 -1.303
145 HG11 VAL 20 1HG1 VAL 20 5.104 -2.199 -3.658
146 HG12 VAL 20 2HG1 VAL 20 6.621 -1.656 -2.940
147 HG13 VAL 20 3HG1 VAL 20 5.350 -0.491 -3.301
148 HG21 VAL 20 3HG2 VAL 20 5.525 0.225 -0.827
149 HG22 VAL 20 1HG2 VAL 20 6.742 -1.032 -0.604
150 HG23 VAL 20 2HG2 VAL 20 5.304 -1.008 0.417
151 H CYS 21 H CYS 21 2.415 -3.618 -0.915
152 HA CYS 21 HA CYS 21 1.340 -2.689 1.625
153 HB2 CYS 21 2HB CYS 21 -0.157 -3.937 0.102
154 HB3 CYS 21 1HB CYS 21 1.030 -5.246 0.116
155 H ARG 22 H ARG 22 2.675 -2.829 3.222
156 HA ARG 22 HA ARG 22 4.232 -5.287 3.707
157 HB2 ARG 22 2HB ARG 22 5.464 -3.211 2.791
158 HB3 ARG 22 1HB ARG 22 5.127 -2.468 4.342
159 HG2 ARG 22 2HG ARG 22 7.399 -3.365 4.336
160 HG3 ARG 22 1HG ARG 22 6.425 -4.285 5.474
161 HD2 ARG 22 2HD ARG 22 6.157 -6.066 3.829
162 HD3 ARG 22 1HD ARG 22 7.067 -5.123 2.647
163 HE ARG 22 HE ARG 22 8.552 -5.502 5.025
164 HH11 ARG 22 1HH1 ARG 22 7.542 -7.279 2.119
165 HH12 ARG 22 2HH1 ARG 22 8.917 -8.284 2.097
166 HH21 ARG 22 1HH2 ARG 22 10.376 -6.841 5.000
167 HH22 ARG 22 2HH2 ARG 22 10.622 -8.018 3.787
168 H LEU 23 H LEU 23 5.015 -3.751 6.198
169 HA LEU 23 HA LEU 23 2.853 -4.489 7.879
170 HB2 LEU 23 2HB LEU 23 5.003 -2.423 8.417
171 HB3 LEU 23 1HB LEU 23 3.988 -3.175 9.627
172 HG LEU 23 HG LEU 23 6.107 -4.551 7.977
173 HD11 LEU 23 1HD1 LEU 23 7.011 -3.084 9.689
174 HD12 LEU 23 2HD1 LEU 23 7.276 -4.777 10.100
175 HD13 LEU 23 3HD1 LEU 23 6.000 -3.865 10.904
176 HD21 LEU 23 3HD2 LEU 23 4.319 -5.642 10.152
177 HD22 LEU 23 1HD2 LEU 23 5.671 -6.496 9.407
178 HD23 LEU 23 2HD2 LEU 23 4.261 -6.069 8.441
179 H TRP 24 H TRP 24 3.814 -1.592 6.262
180 HA TRP 24 HA TRP 24 1.117 -0.532 6.518
181 HB2 TRP 24 2HB TRP 24 3.729 0.894 6.948
182 HB3 TRP 24 1HB TRP 24 2.352 1.780 6.340
183 HD1 TRP 24 HD TRP 24 0.327 2.166 8.041
184 HE1 TRP 24 1HE TRP 24 0.254 2.150 10.630
185 HE3 TRP 24 3HE TRP 24 4.660 -0.214 8.886
186 HZ2 TRP 24 2HZ TRP 24 1.883 1.227 12.751
187 HZ3 TRP 24 3HZ TRP 24 5.395 -0.656 11.237
188 HH2 TRP 24 HH TRP 24 4.012 0.066 13.116
189 H CYS 25 H CYS 25 0.449 0.472 4.639
190 HA CYS 25 HA CYS 25 1.747 -0.126 2.166
191 HB2 CYS 25 2HB CYS 25 -0.312 1.978 2.849
192 HB3 CYS 25 1HB CYS 25 0.202 1.567 1.219
193 H LYS 26 H LYS 26 3.416 0.866 1.349
194 HA LYS 26 HA LYS 26 3.877 3.640 2.099
195 HB2 LYS 26 2HB LYS 26 5.946 1.447 2.171
196 HB3 LYS 26 1HB LYS 26 6.349 3.154 2.169
197 HG2 LYS 26 2HG LYS 26 5.102 3.424 4.271
198 HG3 LYS 26 1HG LYS 26 4.772 1.691 4.272
199 HD2 LYS 26 2HD LYS 26 7.144 1.218 4.373
200 HD3 LYS 26 1HD LYS 26 7.509 2.942 4.288
201 HE2 LYS 26 2HE LYS 26 6.298 3.288 6.386
202 HE3 LYS 26 1HE LYS 26 5.969 1.563 6.474
203 HZ1 LYS 26 3HZ LYS 26 7.858 2.194 7.831
204 HZ2 LYS 26 1HZ LYS 26 8.688 2.770 6.486
205 HZ3 LYS 26 2HZ LYS 26 8.327 1.134 6.621
206 H LYS 27 H LYS 27 5.744 4.453 0.626
207 HA LYS 27 HA LYS 27 4.780 3.781 -2.012
208 HB2 LYS 27 2HB LYS 27 6.587 6.024 -1.106
209 HB3 LYS 27 1HB LYS 27 5.952 5.817 -2.734
210 HG2 LYS 27 2HG LYS 27 3.655 5.984 -1.775
211 HG3 LYS 27 1HG LYS 27 4.389 6.406 -0.231
212 HD2 LYS 27 2HD LYS 27 4.708 7.935 -2.814
213 HD3 LYS 27 1HD LYS 27 3.647 8.379 -1.484
214 HE2 LYS 27 2HE LYS 27 5.592 8.647 -0.022
215 HE3 LYS 27 1HE LYS 27 6.658 8.175 -1.343
216 HZ1 LYS 27 3HZ LYS 27 6.596 10.556 -1.150
217 HZ2 LYS 27 1HZ LYS 27 4.908 10.574 -1.289
218 HZ3 LYS 27 2HZ LYS 27 5.860 10.101 -2.590
219 H LYS 28 H LYS 28 6.159 3.216 -3.653
220 HA LYS 28 HA LYS 28 8.292 1.530 -2.882
221 HB2 LYS 28 2HB LYS 28 7.063 0.922 -4.798
222 HB3 LYS 28 1HB LYS 28 7.286 2.502 -5.552
223 HG2 LYS 28 2HG LYS 28 8.618 0.791 -6.655
224 HG3 LYS 28 1HG LYS 28 9.649 1.990 -5.883
225 HD2 LYS 28 2HD LYS 28 9.878 0.450 -3.963
226 HD3 LYS 28 1HD LYS 28 8.999 -0.774 -4.880
227 HE2 LYS 28 2HE LYS 28 10.696 -0.723 -6.620
228 HE3 LYS 28 1HE LYS 28 11.548 0.568 -5.778
229 HZ1 LYS 28 3HZ LYS 28 12.604 -1.520 -5.327
230 HZ2 LYS 28 1HZ LYS 28 11.163 -2.205 -4.783
231 HZ3 LYS 28 2HZ LYS 28 11.889 -0.959 -3.923
232 H LEU 29 H LEU 29 10.284 2.014 -2.545
233 HA LEU 29 HA LEU 29 11.140 4.750 -2.958
234 HB2 LEU 29 2HB LEU 29 12.590 2.515 -1.513
235 HB3 LEU 29 1HB LEU 29 13.150 4.162 -1.631
236 HG LEU 29 HG LEU 29 12.343 3.995 0.519
237 HD11 LEU 29 1HD1 LEU 29 11.530 5.998 -0.475
238 HD12 LEU 29 2HD1 LEU 29 10.366 5.387 0.700
239 HD13 LEU 29 3HD1 LEU 29 10.069 5.176 -1.024
240 HD21 LEU 29 3HD2 LEU 29 9.897 2.561 -0.500
241 HD22 LEU 29 1HD2 LEU 29 10.189 3.016 1.178
242 HD23 LEU 29 2HD2 LEU 29 11.243 1.845 0.387
243 H TRP 30 H TRP 30 12.557 5.350 -4.414
244 HA TRP 30 HA TRP 30 13.745 3.255 -6.106
245 HB2 TRP 30 2HB TRP 30 13.142 6.136 -6.832
246 HB3 TRP 30 1HB TRP 30 13.794 4.912 -7.911
247 HD1 TRP 30 HD TRP 30 10.627 6.403 -6.819
248 HE1 TRP 30 1HE TRP 30 8.622 5.093 -7.755
249 HE3 TRP 30 3HE TRP 30 13.088 2.242 -8.418
250 HZ2 TRP 30 2HZ TRP 30 8.152 2.603 -9.019
251 HZ3 TRP 30 3HZ TRP 30 11.792 0.440 -9.474
252 HH2 TRP 30 HH TRP 30 9.375 0.623 -9.765
Start of MODEL 14
1 H1 TYR 1 H TYR 1 -10.781 8.127 0.054
2 HA TYR 1 HA TYR 1 -10.639 6.952 2.497
3 HB2 TYR 1 2HB TYR 1 -12.027 5.572 0.188
4 HB3 TYR 1 1HB TYR 1 -12.475 5.534 1.887
5 HD1 TYR 1 2HD TYR 1 -13.186 7.833 2.930
6 HD2 TYR 1 1HD TYR 1 -13.056 7.042 -1.246
7 HE1 TYR 1 2HE TYR 1 -14.697 9.728 2.522
8 HE2 TYR 1 1HE TYR 1 -14.546 8.922 -1.663
9 HH TYR 1 HH TYR 1 -16.254 10.205 -0.412
10 H CYS 2 H CYS 2 -8.691 6.342 0.055
11 HA CYS 2 HA CYS 2 -8.255 3.502 0.576
12 HB2 CYS 2 2HB CYS 2 -8.474 4.372 -1.824
13 HB3 CYS 2 1HB CYS 2 -6.933 5.176 -1.576
14 H GLN 3 H GLN 3 -5.664 3.181 0.104
15 HA GLN 3 HA GLN 3 -4.571 4.166 2.559
16 HB2 GLN 3 2HB GLN 3 -3.578 2.201 0.494
17 HB3 GLN 3 1HB GLN 3 -2.617 2.673 1.872
18 HG2 GLN 3 2HG GLN 3 -3.722 0.489 2.146
19 HG3 GLN 3 1HG GLN 3 -4.199 1.643 3.381
20 HE21 GLN 3 1HE2 GLN 3 -6.280 2.335 3.465
21 HE22 GLN 3 2HE2 GLN 3 -7.537 1.616 2.540
22 H LYS 4 H LYS 4 -3.946 6.255 2.240
23 HA LYS 4 HA LYS 4 -2.191 6.839 -0.033
24 HB2 LYS 4 2HB LYS 4 -3.659 8.638 1.881
25 HB3 LYS 4 1HB LYS 4 -2.550 9.223 0.632
26 HG2 LYS 4 2HG LYS 4 -4.008 8.107 -1.057
27 HG3 LYS 4 1HG LYS 4 -5.121 7.724 0.258
28 HD2 LYS 4 2HD LYS 4 -4.202 10.470 -0.371
29 HD3 LYS 4 1HD LYS 4 -5.651 9.783 -1.118
30 HE2 LYS 4 2HE LYS 4 -6.548 9.410 1.210
31 HE3 LYS 4 1HE LYS 4 -5.150 10.278 1.835
32 HZ1 LYS 4 3HZ LYS 4 -7.199 11.400 0.001
33 HZ2 LYS 4 1HZ LYS 4 -5.871 12.246 0.615
34 HZ3 LYS 4 2HZ LYS 4 -7.092 11.714 1.642
35 H TRP 5 H TRP 5 -0.275 6.604 0.281
36 HA TRP 5 HA TRP 5 1.701 6.063 1.228
37 HB2 TRP 5 2HB TRP 5 1.590 8.612 1.587
38 HB3 TRP 5 1HB TRP 5 1.177 8.253 3.260
39 HD1 TRP 5 HD TRP 5 3.757 5.973 1.623
40 HE1 TRP 5 1HE TRP 5 6.085 6.460 2.604
41 HE3 TRP 5 3HE TRP 5 2.653 10.183 4.284
42 HZ2 TRP 5 2HZ TRP 5 7.294 8.359 4.284
43 HZ3 TRP 5 3HZ TRP 5 4.468 11.277 5.560
44 HH2 TRP 5 HH TRP 5 6.730 10.375 5.552
45 H MET 6 H MET 6 2.137 6.481 4.257
46 HA MET 6 HA MET 6 1.818 3.801 4.875
47 HB2 MET 6 2HB MET 6 2.409 4.439 7.226
48 HB3 MET 6 1HB MET 6 3.530 4.990 5.991
49 HG2 MET 6 2HG MET 6 2.572 7.233 6.110
50 HG3 MET 6 1HG MET 6 1.414 6.682 7.316
51 HE1 MET 6 3HE MET 6 2.182 8.719 8.872
52 HE2 MET 6 1HE MET 6 3.357 9.216 7.655
53 HE3 MET 6 2HE MET 6 3.858 9.015 9.335
54 H TRP 7 H TRP 7 0.010 2.865 4.856
55 HA TRP 7 HA TRP 7 -1.988 3.328 6.964
56 HB2 TRP 7 2HB TRP 7 -2.609 3.077 3.998
57 HB3 TRP 7 1HB TRP 7 -3.783 2.654 5.223
58 HD1 TRP 7 HD TRP 7 -1.621 5.861 4.882
59 HE1 TRP 7 1HE TRP 7 -3.193 7.882 4.837
60 HE3 TRP 7 3HE TRP 7 -6.071 3.419 5.081
61 HZ2 TRP 7 2HZ TRP 7 -5.949 8.393 4.850
62 HZ3 TRP 7 3HZ TRP 7 -8.150 4.753 5.039
63 HH2 TRP 7 HH TRP 7 -8.060 7.210 4.917
64 H THR 8 H THR 8 -3.575 1.162 6.728
65 HA THR 8 HA THR 8 -1.645 -0.952 6.420
66 HB THR 8 HB THR 8 -3.355 -2.221 7.832
67 HG1 THR 8 1HG THR 8 -4.281 -0.350 9.289
68 HG21 THR 8 3HG2 THR 8 -1.827 0.087 9.048
69 HG22 THR 8 1HG2 THR 8 -1.153 -1.490 8.637
70 HG23 THR 8 2HG2 THR 8 -2.364 -1.360 9.906
71 H CYS 9 H CYS 9 -2.059 -2.770 5.264
72 HA CYS 9 HA CYS 9 -4.246 -2.578 3.326
73 HB2 CYS 9 2HB CYS 9 -2.665 -3.993 1.948
74 HB3 CYS 9 1HB CYS 9 -2.173 -2.325 2.241
75 H ASP 10 H ASP 10 -4.585 -4.873 2.302
76 HA ASP 10 HA ASP 10 -4.656 -6.977 4.337
77 HB2 ASP 10 2HB ASP 10 -6.899 -5.700 4.315
78 HB3 ASP 10 1HB ASP 10 -7.038 -6.172 2.629
79 H SER 11 H SER 11 -5.867 -8.902 2.796
80 HA SER 11 HA SER 11 -3.962 -9.419 0.743
81 HB2 SER 11 2HB SER 11 -6.547 -10.829 1.368
82 HB3 SER 11 1HB SER 11 -5.136 -11.498 0.552
83 HG SER 11 HG SER 11 -5.447 -11.989 2.861
84 H GLU 12 H GLU 12 -7.378 -8.554 0.986
85 HA GLU 12 HA GLU 12 -7.616 -8.366 -1.913
86 HB2 GLU 12 2HB GLU 12 -9.622 -8.062 0.310
87 HB3 GLU 12 1HB GLU 12 -10.007 -7.630 -1.340
88 HG2 GLU 12 2HG GLU 12 -10.880 -9.826 -0.861
89 HG3 GLU 12 1HG GLU 12 -9.571 -9.962 -2.022
90 H ARG 13 H ARG 13 -6.983 -6.388 0.748
91 HA ARG 13 HA ARG 13 -7.776 -4.006 -0.717
92 HB2 ARG 13 2HB ARG 13 -8.471 -4.148 1.651
93 HB3 ARG 13 1HB ARG 13 -6.781 -4.234 2.121
94 HG2 ARG 13 2HG ARG 13 -7.613 -1.985 2.464
95 HG3 ARG 13 1HG ARG 13 -6.396 -2.050 1.179
96 HD2 ARG 13 2HD ARG 13 -8.304 -0.587 0.623
97 HD3 ARG 13 1HD ARG 13 -8.054 -1.900 -0.520
98 HE ARG 13 HE ARG 13 -9.896 -2.804 1.323
99 HH11 ARG 13 1HH1 ARG 13 -9.759 -0.206 -1.083
100 HH12 ARG 13 2HH1 ARG 13 -11.450 -0.163 -1.303
101 HH21 ARG 13 1HH2 ARG 13 -12.161 -2.754 0.978
102 HH22 ARG 13 2HH2 ARG 13 -12.855 -1.655 -0.115
103 H LYS 14 H LYS 14 -6.396 -3.278 -2.005
104 HA LYS 14 HA LYS 14 -3.528 -3.664 -1.557
105 HB2 LYS 14 2HB LYS 14 -5.015 -3.019 -4.108
106 HB3 LYS 14 1HB LYS 14 -3.281 -3.267 -3.967
107 HG2 LYS 14 2HG LYS 14 -3.655 -5.575 -3.295
108 HG3 LYS 14 1HG LYS 14 -5.398 -5.336 -3.412
109 HD2 LYS 14 2HD LYS 14 -5.143 -4.806 -5.801
110 HD3 LYS 14 1HD LYS 14 -3.409 -5.096 -5.670
111 HE2 LYS 14 2HE LYS 14 -3.890 -7.417 -4.961
112 HE3 LYS 14 1HE LYS 14 -5.607 -7.104 -5.185
113 HZ1 LYS 14 3HZ LYS 14 -3.551 -6.954 -7.321
114 HZ2 LYS 14 1HZ LYS 14 -5.210 -6.707 -7.520
115 HZ3 LYS 14 2HZ LYS 14 -4.626 -8.226 -7.085
116 H CYS 15 H CYS 15 -2.146 -1.938 -1.806
117 HA CYS 15 HA CYS 15 -3.213 0.534 -0.879
118 HB2 CYS 15 2HB CYS 15 -0.380 0.020 -1.717
119 HB3 CYS 15 1HB CYS 15 -1.006 1.103 -0.469
120 H CYS 16 H CYS 16 -3.885 2.111 -2.136
121 HA CYS 16 HA CYS 16 -3.720 2.152 -4.952
122 HB2 CYS 16 2HB CYS 16 -4.501 4.331 -2.998
123 HB3 CYS 16 1HB CYS 16 -4.683 4.451 -4.742
124 H GLU 17 H GLU 17 -2.899 4.118 -6.203
125 HA GLU 17 HA GLU 17 -1.316 5.452 -6.969
126 HB2 GLU 17 2HB GLU 17 -1.624 6.644 -4.791
127 HB3 GLU 17 1HB GLU 17 -0.391 5.625 -4.079
128 HG2 GLU 17 2HG GLU 17 0.509 7.801 -4.568
129 HG3 GLU 17 1HG GLU 17 1.241 6.575 -5.611
130 H GLY 18 H GLY 18 -1.025 2.524 -6.454
131 HA2 GLY 18 2HA GLY 18 0.467 0.874 -6.989
132 HA3 GLY 18 1HA GLY 18 1.507 2.137 -7.639
133 H MET 19 H MET 19 0.344 1.680 -4.343
134 HA MET 19 HA MET 19 3.128 1.804 -3.505
135 HB2 MET 19 2HB MET 19 0.590 2.165 -1.901
136 HB3 MET 19 1HB MET 19 2.205 2.215 -1.208
137 HG2 MET 19 2HG MET 19 2.739 4.121 -2.702
138 HG3 MET 19 1HG MET 19 1.079 4.089 -3.281
139 HE1 MET 19 3HE MET 19 2.422 6.720 -2.194
140 HE2 MET 19 1HE MET 19 1.189 7.343 -1.097
141 HE3 MET 19 2HE MET 19 0.724 6.672 -2.653
142 H VAL 20 H VAL 20 3.748 0.443 -1.612
143 HA VAL 20 HA VAL 20 2.968 -2.264 -2.377
144 HB VAL 20 HB VAL 20 5.453 -1.345 -0.909
145 HG11 VAL 20 1HG1 VAL 20 4.865 -3.641 -0.361
146 HG12 VAL 20 2HG1 VAL 20 6.306 -3.606 -1.380
147 HG13 VAL 20 3HG1 VAL 20 4.744 -4.034 -2.075
148 HG21 VAL 20 3HG2 VAL 20 5.441 -0.529 -3.203
149 HG22 VAL 20 1HG2 VAL 20 5.092 -2.152 -3.796
150 HG23 VAL 20 2HG2 VAL 20 6.635 -1.814 -3.018
151 H CYS 21 H CYS 21 2.057 -3.608 -1.021
152 HA CYS 21 HA CYS 21 1.206 -2.747 1.572
153 HB2 CYS 21 2HB CYS 21 -0.308 -4.063 0.192
154 HB3 CYS 21 1HB CYS 21 0.881 -5.349 0.060
155 H ARG 22 H ARG 22 1.979 -3.443 3.497
156 HA ARG 22 HA ARG 22 3.764 -5.582 3.947
157 HB2 ARG 22 2HB ARG 22 5.056 -3.543 2.734
158 HB3 ARG 22 1HB ARG 22 5.037 -2.899 4.363
159 HG2 ARG 22 2HG ARG 22 7.132 -4.019 3.932
160 HG3 ARG 22 1HG ARG 22 6.228 -4.916 5.152
161 HD2 ARG 22 2HD ARG 22 6.039 -5.632 2.249
162 HD3 ARG 22 1HD ARG 22 7.384 -6.229 3.219
163 HE ARG 22 HE ARG 22 5.509 -7.154 4.691
164 HH11 ARG 22 1HH1 ARG 22 5.096 -6.811 1.190
165 HH12 ARG 22 2HH1 ARG 22 4.183 -8.242 1.025
166 HH21 ARG 22 1HH2 ARG 22 4.290 -9.129 4.439
167 HH22 ARG 22 2HH2 ARG 22 3.727 -9.596 2.902
168 H LEU 23 H LEU 23 4.931 -4.068 6.225
169 HA LEU 23 HA LEU 23 2.958 -4.251 8.165
170 HB2 LEU 23 2HB LEU 23 4.340 -2.854 9.645
171 HB3 LEU 23 1HB LEU 23 5.315 -4.036 8.824
172 HG LEU 23 HG LEU 23 5.194 -1.120 8.010
173 HD11 LEU 23 1HD1 LEU 23 7.329 -0.883 9.169
174 HD12 LEU 23 2HD1 LEU 23 7.212 -2.548 9.735
175 HD13 LEU 23 3HD1 LEU 23 6.049 -1.344 10.290
176 HD21 LEU 23 3HD2 LEU 23 7.319 -1.622 6.876
177 HD22 LEU 23 1HD2 LEU 23 5.999 -2.603 6.240
178 HD23 LEU 23 2HD2 LEU 23 7.169 -3.313 7.352
179 H TRP 24 H TRP 24 3.806 -1.559 6.152
180 HA TRP 24 HA TRP 24 1.161 -0.486 6.445
181 HB2 TRP 24 2HB TRP 24 3.691 0.991 7.093
182 HB3 TRP 24 1HB TRP 24 2.426 1.881 6.278
183 HD1 TRP 24 HD TRP 24 0.059 2.081 7.667
184 HE1 TRP 24 1HE TRP 24 -0.330 2.253 10.209
185 HE3 TRP 24 3HE TRP 24 4.505 0.282 9.246
186 HZ2 TRP 24 2HZ TRP 24 1.085 1.691 12.571
187 HZ3 TRP 24 3HZ TRP 24 4.944 0.127 11.676
188 HH2 TRP 24 HH TRP 24 3.251 0.825 13.297
189 H CYS 25 H CYS 25 0.504 0.434 4.560
190 HA CYS 25 HA CYS 25 1.841 -0.184 2.127
191 HB2 CYS 25 2HB CYS 25 -0.310 1.858 2.737
192 HB3 CYS 25 1HB CYS 25 0.222 1.404 1.125
193 H LYS 26 H LYS 26 3.554 0.840 1.412
194 HA LYS 26 HA LYS 26 3.740 3.680 1.896
195 HB2 LYS 26 2HB LYS 26 5.987 1.726 2.461
196 HB3 LYS 26 1HB LYS 26 6.225 3.463 2.292
197 HG2 LYS 26 2HG LYS 26 4.735 3.867 4.172
198 HG3 LYS 26 1HG LYS 26 4.456 2.144 4.348
199 HD2 LYS 26 2HD LYS 26 6.061 2.862 6.005
200 HD3 LYS 26 1HD LYS 26 6.901 1.881 4.807
201 HE2 LYS 26 2HE LYS 26 7.763 3.857 3.726
202 HE3 LYS 26 1HE LYS 26 6.820 4.897 4.789
203 HZ1 LYS 26 3HZ LYS 26 9.131 4.751 5.454
204 HZ2 LYS 26 1HZ LYS 26 9.013 3.087 5.646
205 HZ3 LYS 26 2HZ LYS 26 8.132 4.120 6.653
206 H LYS 27 H LYS 27 5.486 4.612 0.466
207 HA LYS 27 HA LYS 27 4.803 3.502 -2.111
208 HB2 LYS 27 2HB LYS 27 5.390 5.726 -3.008
209 HB3 LYS 27 1HB LYS 27 4.099 5.755 -1.819
210 HG2 LYS 27 2HG LYS 27 5.709 6.519 -0.122
211 HG3 LYS 27 1HG LYS 27 6.965 6.548 -1.362
212 HD2 LYS 27 2HD LYS 27 5.699 8.197 -2.627
213 HD3 LYS 27 1HD LYS 27 4.402 8.131 -1.432
214 HE2 LYS 27 2HE LYS 27 5.993 8.927 0.284
215 HE3 LYS 27 1HE LYS 27 7.230 9.055 -0.966
216 HZ1 LYS 27 3HZ LYS 27 4.670 10.530 -0.946
217 HZ2 LYS 27 1HZ LYS 27 5.892 10.698 -2.091
218 HZ3 LYS 27 2HZ LYS 27 6.164 11.170 -0.498
219 H LYS 28 H LYS 28 6.220 3.079 -3.619
220 HA LYS 28 HA LYS 28 8.987 2.792 -2.782
221 HB2 LYS 28 2HB LYS 28 7.678 0.932 -3.823
222 HB3 LYS 28 1HB LYS 28 7.620 1.940 -5.276
223 HG2 LYS 28 2HG LYS 28 10.061 1.820 -5.453
224 HG3 LYS 28 1HG LYS 28 10.108 0.795 -4.014
225 HD2 LYS 28 2HD LYS 28 8.683 -0.850 -5.161
226 HD3 LYS 28 1HD LYS 28 8.714 0.153 -6.607
227 HE2 LYS 28 2HE LYS 28 11.137 -0.120 -6.748
228 HE3 LYS 28 1HE LYS 28 11.113 -1.116 -5.290
229 HZ1 LYS 28 3HZ LYS 28 9.806 -1.740 -7.877
230 HZ2 LYS 28 1HZ LYS 28 9.661 -2.677 -6.470
231 HZ3 LYS 28 2HZ LYS 28 11.162 -2.493 -7.234
232 H LEU 29 H LEU 29 9.363 4.835 -2.845
233 HA LEU 29 HA LEU 29 8.957 6.498 -5.203
234 HB2 LEU 29 2HB LEU 29 8.652 7.466 -2.957
235 HB3 LEU 29 1HB LEU 29 10.325 7.127 -2.579
236 HG LEU 29 HG LEU 29 10.997 8.720 -4.379
237 HD11 LEU 29 1HD1 LEU 29 9.336 10.300 -5.223
238 HD12 LEU 29 2HD1 LEU 29 8.058 9.376 -4.433
239 HD13 LEU 29 3HD1 LEU 29 8.993 8.650 -5.740
240 HD21 LEU 29 3HD2 LEU 29 10.464 10.733 -3.087
241 HD22 LEU 29 1HD2 LEU 29 10.957 9.400 -2.044
242 HD23 LEU 29 2HD2 LEU 29 9.252 9.827 -2.183
243 H TRP 30 H TRP 30 11.697 5.670 -3.165
244 HA TRP 30 HA TRP 30 13.912 5.472 -3.511
245 HB2 TRP 30 2HB TRP 30 13.067 3.386 -4.588
246 HB3 TRP 30 1HB TRP 30 13.070 4.227 -6.132
247 HD1 TRP 30 HD TRP 30 15.232 4.078 -7.475
248 HE1 TRP 30 1HE TRP 30 17.656 3.314 -6.987
249 HE3 TRP 30 3HE TRP 30 14.827 3.332 -2.453
250 HZ2 TRP 30 2HZ TRP 30 19.165 2.492 -4.741
251 HZ3 TRP 30 3HZ TRP 30 16.793 2.561 -1.204
252 HH2 TRP 30 HH TRP 30 18.912 2.149 -2.325
Start of MODEL 15
1 H1 TYR 1 H TYR 1 -10.204 3.824 2.450
2 HA TYR 1 HA TYR 1 -11.702 3.423 0.532
3 HB2 TYR 1 2HB TYR 1 -10.637 6.153 -0.224
4 HB3 TYR 1 1HB TYR 1 -11.656 5.125 -1.212
5 HD1 TYR 1 1HD TYR 1 -14.064 4.746 -0.462
6 HD2 TYR 1 2HD TYR 1 -11.528 7.673 1.295
7 HE1 TYR 1 1HE TYR 1 -16.034 5.941 0.386
8 HE2 TYR 1 2HE TYR 1 -13.466 8.860 2.156
9 HH TYR 1 HH TYR 1 -15.858 9.099 1.544
10 H CYS 2 H CYS 2 -8.837 5.422 0.511
11 HA CYS 2 HA CYS 2 -7.354 3.280 -0.731
12 HB2 CYS 2 2HB CYS 2 -7.589 6.093 -1.661
13 HB3 CYS 2 1HB CYS 2 -6.085 5.226 -1.925
14 H GLN 3 H GLN 3 -5.311 3.160 -0.285
15 HA GLN 3 HA GLN 3 -4.662 4.064 2.293
16 HB2 GLN 3 2HB GLN 3 -3.523 2.035 0.405
17 HB3 GLN 3 1HB GLN 3 -2.568 2.564 1.782
18 HG2 GLN 3 2HG GLN 3 -3.814 0.510 2.219
19 HG3 GLN 3 1HG GLN 3 -4.230 1.804 3.325
20 HE21 GLN 3 1HE2 GLN 3 -6.128 1.293 3.849
21 HE22 GLN 3 2HE2 GLN 3 -7.475 1.243 2.756
22 H LYS 4 H LYS 4 -3.764 6.136 2.290
23 HA LYS 4 HA LYS 4 -1.903 6.852 0.135
24 HB2 LYS 4 2HB LYS 4 -3.293 8.536 2.178
25 HB3 LYS 4 1HB LYS 4 -2.171 9.152 0.963
26 HG2 LYS 4 2HG LYS 4 -3.747 8.230 -0.762
27 HG3 LYS 4 1HG LYS 4 -4.883 7.937 0.559
28 HD2 LYS 4 2HD LYS 4 -3.612 10.540 -0.106
29 HD3 LYS 4 1HD LYS 4 -5.255 10.098 -0.587
30 HE2 LYS 4 2HE LYS 4 -5.857 9.895 1.808
31 HE3 LYS 4 1HE LYS 4 -4.220 10.374 2.249
32 HZ1 LYS 4 3HZ LYS 4 -5.810 12.196 2.377
33 HZ2 LYS 4 1HZ LYS 4 -6.124 12.063 0.730
34 HZ3 LYS 4 2HZ LYS 4 -4.588 12.527 1.263
35 H TRP 5 H TRP 5 0.060 6.513 0.552
36 HA TRP 5 HA TRP 5 2.018 6.012 1.609
37 HB2 TRP 5 2HB TRP 5 1.570 8.580 2.193
38 HB3 TRP 5 1HB TRP 5 1.349 7.954 3.819
39 HD1 TRP 5 HD TRP 5 3.813 5.720 3.503
40 HE1 TRP 5 1HE TRP 5 6.216 6.578 3.707
41 HE3 TRP 5 3HE TRP 5 2.983 10.678 2.552
42 HZ2 TRP 5 2HZ TRP 5 7.600 9.039 3.484
43 HZ3 TRP 5 3HZ TRP 5 4.904 12.216 2.572
44 HH2 TRP 5 HH TRP 5 7.164 11.408 3.028
45 H MET 6 H MET 6 2.134 6.302 4.686
46 HA MET 6 HA MET 6 1.659 3.540 5.113
47 HB2 MET 6 2HB MET 6 2.282 3.904 7.474
48 HB3 MET 6 1HB MET 6 3.450 4.510 6.316
49 HG2 MET 6 2HG MET 6 2.642 6.783 6.697
50 HG3 MET 6 1HG MET 6 1.461 6.163 7.849
51 HE1 MET 6 3HE MET 6 5.163 4.806 7.431
52 HE2 MET 6 1HE MET 6 6.030 5.891 8.512
53 HE3 MET 6 2HE MET 6 5.291 6.520 7.036
54 H TRP 7 H TRP 7 -0.064 2.680 4.991
55 HA TRP 7 HA TRP 7 -2.130 3.123 7.027
56 HB2 TRP 7 2HB TRP 7 -2.627 2.903 4.035
57 HB3 TRP 7 1HB TRP 7 -3.855 2.509 5.220
58 HD1 TRP 7 HD TRP 7 -1.631 5.670 5.008
59 HE1 TRP 7 1HE TRP 7 -3.183 7.744 4.871
60 HE3 TRP 7 3HE TRP 7 -6.124 3.306 4.873
61 HZ2 TRP 7 2HZ TRP 7 -5.914 8.283 4.706
62 HZ3 TRP 7 3HZ TRP 7 -8.165 4.663 4.708
63 HH2 TRP 7 HH TRP 7 -8.046 7.118 4.626
64 H THR 8 H THR 8 -3.448 1.022 7.229
65 HA THR 8 HA THR 8 -1.635 -1.128 6.804
66 HB THR 8 HB THR 8 -3.517 -2.439 7.917
67 HG1 THR 8 1HG THR 8 -5.288 -1.118 7.578
68 HG21 THR 8 3HG2 THR 8 -3.014 -1.475 10.133
69 HG22 THR 8 1HG2 THR 8 -2.336 -0.054 9.343
70 HG23 THR 8 2HG2 THR 8 -1.565 -1.627 9.140
71 H CYS 9 H CYS 9 -1.835 -2.808 5.368
72 HA CYS 9 HA CYS 9 -3.966 -2.498 3.398
73 HB2 CYS 9 2HB CYS 9 -2.431 -3.761 1.843
74 HB3 CYS 9 1HB CYS 9 -1.890 -2.151 2.285
75 H ASP 10 H ASP 10 -4.774 -4.477 2.459
76 HA ASP 10 HA ASP 10 -4.679 -6.693 4.390
77 HB2 ASP 10 2HB ASP 10 -7.064 -5.777 2.747
78 HB3 ASP 10 1HB ASP 10 -6.997 -7.207 3.758
79 H SER 11 H SER 11 -5.929 -8.607 3.053
80 HA SER 11 HA SER 11 -4.147 -9.345 1.021
81 HB2 SER 11 2HB SER 11 -5.921 -11.218 0.859
82 HB3 SER 11 1HB SER 11 -5.011 -11.051 2.366
83 HG SER 11 HG SER 11 -7.430 -11.217 2.425
84 H GLU 12 H GLU 12 -7.529 -8.244 1.061
85 HA GLU 12 HA GLU 12 -7.524 -8.195 -1.857
86 HB2 GLU 12 2HB GLU 12 -9.767 -7.544 0.049
87 HB3 GLU 12 1HB GLU 12 -9.896 -7.697 -1.695
88 HG2 GLU 12 2HG GLU 12 -9.245 -10.055 -1.506
89 HG3 GLU 12 1HG GLU 12 -9.217 -9.879 0.248
90 H ARG 13 H ARG 13 -7.123 -6.089 0.799
91 HA ARG 13 HA ARG 13 -7.845 -3.768 -0.753
92 HB2 ARG 13 2HB ARG 13 -8.365 -3.790 1.659
93 HB3 ARG 13 1HB ARG 13 -6.648 -3.886 2.012
94 HG2 ARG 13 2HG ARG 13 -7.539 -1.598 2.296
95 HG3 ARG 13 1HG ARG 13 -6.273 -1.722 1.067
96 HD2 ARG 13 2HD ARG 13 -8.289 -0.285 0.481
97 HD3 ARG 13 1HD ARG 13 -7.787 -1.487 -0.704
98 HE ARG 13 HE ARG 13 -9.613 -2.887 0.480
99 HH11 ARG 13 1HH1 ARG 13 -9.887 0.621 -0.144
100 HH12 ARG 13 2HH1 ARG 13 -11.553 0.529 -0.396
101 HH21 ARG 13 1HH2 ARG 13 -11.844 -2.957 0.117
102 HH22 ARG 13 2HH2 ARG 13 -12.706 -1.535 -0.247
103 H LYS 14 H LYS 14 -6.580 -2.926 -2.100
104 HA LYS 14 HA LYS 14 -3.728 -3.516 -2.020
105 HB2 LYS 14 2HB LYS 14 -5.283 -2.136 -4.209
106 HB3 LYS 14 1HB LYS 14 -3.682 -2.843 -4.323
107 HG2 LYS 14 2HG LYS 14 -6.307 -4.300 -4.049
108 HG3 LYS 14 1HG LYS 14 -5.246 -4.262 -5.453
109 HD2 LYS 14 2HD LYS 14 -4.574 -5.480 -2.770
110 HD3 LYS 14 1HD LYS 14 -5.103 -6.364 -4.195
111 HE2 LYS 14 2HE LYS 14 -3.114 -5.632 -5.402
112 HE3 LYS 14 1HE LYS 14 -2.587 -4.711 -3.993
113 HZ1 LYS 14 3HZ LYS 14 -2.985 -7.648 -4.046
114 HZ2 LYS 14 1HZ LYS 14 -2.411 -6.749 -2.747
115 HZ3 LYS 14 2HZ LYS 14 -1.487 -6.872 -4.148
116 H CYS 15 H CYS 15 -2.236 -1.783 -2.281
117 HA CYS 15 HA CYS 15 -3.190 0.585 -0.959
118 HB2 CYS 15 2HB CYS 15 -0.368 0.002 -1.855
119 HB3 CYS 15 1HB CYS 15 -0.971 1.142 -0.642
120 H CYS 16 H CYS 16 -4.029 1.989 -2.169
121 HA CYS 16 HA CYS 16 -4.049 2.067 -4.952
122 HB2 CYS 16 2HB CYS 16 -4.731 4.240 -2.998
123 HB3 CYS 16 1HB CYS 16 -5.073 4.327 -4.719
124 H GLU 17 H GLU 17 -3.305 3.574 -6.463
125 HA GLU 17 HA GLU 17 -1.866 4.830 -7.572
126 HB2 GLU 17 2HB GLU 17 -2.112 6.373 -5.527
127 HB3 GLU 17 1HB GLU 17 -0.607 5.684 -4.952
128 HG2 GLU 17 2HG GLU 17 -0.209 7.814 -6.024
129 HG3 GLU 17 1HG GLU 17 0.523 6.492 -6.948
130 H GLY 18 H GLY 18 -1.316 2.114 -6.213
131 HA2 GLY 18 2HA GLY 18 0.222 0.472 -6.662
132 HA3 GLY 18 1HA GLY 18 1.162 1.658 -7.561
133 H MET 19 H MET 19 0.159 1.430 -4.163
134 HA MET 19 HA MET 19 2.935 2.012 -3.482
135 HB2 MET 19 2HB MET 19 0.446 2.126 -1.770
136 HB3 MET 19 1HB MET 19 2.058 2.454 -1.149
137 HG2 MET 19 2HG MET 19 2.221 4.297 -2.861
138 HG3 MET 19 1HG MET 19 0.536 3.991 -3.250
139 HE1 MET 19 3HE MET 19 0.317 7.396 -1.388
140 HE2 MET 19 1HE MET 19 -0.144 6.486 -2.826
141 HE3 MET 19 2HE MET 19 1.553 6.853 -2.523
142 H VAL 20 H VAL 20 3.804 0.869 -1.517
143 HA VAL 20 HA VAL 20 3.682 -1.948 -2.232
144 HB VAL 20 HB VAL 20 5.492 -0.669 -0.185
145 HG11 VAL 20 1HG1 VAL 20 7.014 -2.503 -0.730
146 HG12 VAL 20 2HG1 VAL 20 5.841 -3.126 -1.884
147 HG13 VAL 20 3HG1 VAL 20 5.449 -3.095 -0.167
148 HG21 VAL 20 3HG2 VAL 20 5.959 -0.850 -3.162
149 HG22 VAL 20 1HG2 VAL 20 7.179 -0.391 -1.972
150 HG23 VAL 20 2HG2 VAL 20 5.759 0.622 -2.215
151 H CYS 21 H CYS 21 2.816 -3.508 -0.964
152 HA CYS 21 HA CYS 21 1.480 -2.744 1.512
153 HB2 CYS 21 2HB CYS 21 0.373 -4.181 -0.309
154 HB3 CYS 21 1HB CYS 21 1.664 -5.320 0.145
155 H ARG 22 H ARG 22 2.525 -2.999 3.284
156 HA ARG 22 HA ARG 22 4.432 -5.158 3.761
157 HB2 ARG 22 2HB ARG 22 4.607 -2.252 3.887
158 HB3 ARG 22 1HB ARG 22 5.710 -3.145 4.962
159 HG2 ARG 22 2HG ARG 22 5.524 -2.994 1.977
160 HG3 ARG 22 1HG ARG 22 6.843 -2.345 2.961
161 HD2 ARG 22 2HD ARG 22 7.370 -4.692 3.632
162 HD3 ARG 22 1HD ARG 22 6.139 -5.240 2.489
163 HE ARG 22 HE ARG 22 8.083 -3.532 1.321
164 HH11 ARG 22 1HH1 ARG 22 7.366 -6.889 2.183
165 HH12 ARG 22 2HH1 ARG 22 8.528 -7.564 1.149
166 HH21 ARG 22 1HH2 ARG 22 9.675 -4.480 -0.153
167 HH22 ARG 22 2HH2 ARG 22 9.849 -6.172 -0.214
168 H LEU 23 H LEU 23 4.969 -3.766 6.295
169 HA LEU 23 HA LEU 23 2.791 -4.493 7.960
170 HB2 LEU 23 2HB LEU 23 4.877 -2.346 8.515
171 HB3 LEU 23 1HB LEU 23 3.785 -2.996 9.706
172 HG LEU 23 HG LEU 23 5.858 -3.942 10.162
173 HD11 LEU 23 1HD1 LEU 23 4.339 -6.008 8.632
174 HD12 LEU 23 2HD1 LEU 23 4.111 -5.550 10.319
175 HD13 LEU 23 3HD1 LEU 23 5.612 -6.326 9.810
176 HD21 LEU 23 3HD2 LEU 23 7.041 -3.404 8.110
177 HD22 LEU 23 1HD2 LEU 23 6.160 -4.667 7.252
178 HD23 LEU 23 2HD2 LEU 23 7.289 -5.097 8.537
179 H TRP 24 H TRP 24 3.597 -1.673 6.186
180 HA TRP 24 HA TRP 24 0.902 -0.629 6.415
181 HB2 TRP 24 2HB TRP 24 3.474 0.900 6.837
182 HB3 TRP 24 1HB TRP 24 2.022 1.705 6.294
183 HD1 TRP 24 HD TRP 24 0.007 1.833 8.057
184 HE1 TRP 24 1HE TRP 24 0.049 1.828 10.672
185 HE3 TRP 24 3HE TRP 24 4.655 0.033 8.742
186 HZ2 TRP 24 2HZ TRP 24 1.868 1.148 12.713
187 HZ3 TRP 24 3HZ TRP 24 5.525 -0.274 11.049
188 HH2 TRP 24 HH TRP 24 4.143 0.281 12.985
189 H CYS 25 H CYS 25 0.311 0.368 4.482
190 HA CYS 25 HA CYS 25 1.745 -0.145 2.070
191 HB2 CYS 25 2HB CYS 25 -0.356 1.946 2.695
192 HB3 CYS 25 1HB CYS 25 0.212 1.518 1.087
193 H LYS 26 H LYS 26 3.302 0.997 1.241
194 HA LYS 26 HA LYS 26 3.892 3.630 2.392
195 HB2 LYS 26 2HB LYS 26 5.887 1.440 1.759
196 HB3 LYS 26 1HB LYS 26 6.283 3.064 2.299
197 HG2 LYS 26 2HG LYS 26 5.301 2.660 4.454
198 HG3 LYS 26 1HG LYS 26 4.663 1.107 3.921
199 HD2 LYS 26 2HD LYS 26 6.636 0.770 5.283
200 HD3 LYS 26 1HD LYS 26 6.966 0.292 3.620
201 HE2 LYS 26 2HE LYS 26 8.071 2.461 3.242
202 HE3 LYS 26 1HE LYS 26 7.757 2.889 4.924
203 HZ1 LYS 26 3HZ LYS 26 9.097 0.978 5.592
204 HZ2 LYS 26 1HZ LYS 26 9.991 2.047 4.639
205 HZ3 LYS 26 2HZ LYS 26 9.395 0.616 3.986
206 H LYS 27 H LYS 27 4.546 5.098 0.836
207 HA LYS 27 HA LYS 27 4.068 4.237 -1.834
208 HB2 LYS 27 2HB LYS 27 4.460 6.544 -2.519
209 HB3 LYS 27 1HB LYS 27 3.357 6.475 -1.163
210 HG2 LYS 27 2HG LYS 27 5.086 7.224 0.331
211 HG3 LYS 27 1HG LYS 27 6.278 7.168 -0.978
212 HD2 LYS 27 2HD LYS 27 4.970 8.814 -2.231
213 HD3 LYS 27 1HD LYS 27 3.802 8.879 -0.916
214 HE2 LYS 27 2HE LYS 27 5.527 9.728 0.577
215 HE3 LYS 27 1HE LYS 27 6.712 9.624 -0.725
216 HZ1 LYS 27 3HZ LYS 27 5.886 11.864 -0.500
217 HZ2 LYS 27 1HZ LYS 27 4.292 11.360 -0.735
218 HZ3 LYS 27 2HZ LYS 27 5.411 11.227 -1.974
219 H LYS 28 H LYS 28 5.737 5.035 -3.543
220 HA LYS 28 HA LYS 28 7.979 3.377 -2.921
221 HB2 LYS 28 2HB LYS 28 7.232 4.746 -5.502
222 HB3 LYS 28 1HB LYS 28 8.472 3.507 -5.307
223 HG2 LYS 28 2HG LYS 28 6.792 1.885 -4.608
224 HG3 LYS 28 1HG LYS 28 5.536 3.108 -4.728
225 HD2 LYS 28 2HD LYS 28 5.448 1.677 -6.662
226 HD3 LYS 28 1HD LYS 28 6.001 3.273 -7.157
227 HE2 LYS 28 2HE LYS 28 8.289 2.497 -7.223
228 HE3 LYS 28 1HE LYS 28 7.798 0.928 -6.595
229 HZ1 LYS 28 3HZ LYS 28 8.130 0.910 -8.998
230 HZ2 LYS 28 1HZ LYS 28 6.942 2.072 -9.199
231 HZ3 LYS 28 2HZ LYS 28 6.535 0.548 -8.618
232 H LEU 29 H LEU 29 9.202 4.393 -1.609
233 HA LEU 29 HA LEU 29 10.187 7.077 -2.080
234 HB2 LEU 29 2HB LEU 29 10.848 5.059 0.071
235 HB3 LEU 29 1HB LEU 29 11.406 6.716 0.042
236 HG LEU 29 HG LEU 29 8.517 5.863 0.304
237 HD11 LEU 29 1HD1 LEU 29 8.713 6.638 2.610
238 HD12 LEU 29 2HD1 LEU 29 10.430 6.952 2.361
239 HD13 LEU 29 3HD1 LEU 29 9.816 5.300 2.285
240 HD21 LEU 29 3HD2 LEU 29 8.116 8.224 0.844
241 HD22 LEU 29 1HD2 LEU 29 8.745 8.034 -0.792
242 HD23 LEU 29 2HD2 LEU 29 9.807 8.587 0.502
243 H TRP 30 H TRP 30 12.292 7.540 -2.642
244 HA TRP 30 HA TRP 30 13.865 5.236 -3.578
245 HB2 TRP 30 2HB TRP 30 13.641 7.940 -4.918
246 HB3 TRP 30 1HB TRP 30 14.603 6.586 -5.491
247 HD1 TRP 30 HD TRP 30 11.339 8.164 -5.964
248 HE1 TRP 30 1HE TRP 30 9.728 6.632 -7.262
249 HE3 TRP 30 3HE TRP 30 13.925 3.767 -5.607
250 HZ2 TRP 30 2HZ TRP 30 9.575 3.933 -8.032
251 HZ3 TRP 30 3HZ TRP 30 12.971 1.752 -6.649
252 HH2 TRP 30 HH TRP 30 10.843 1.834 -7.832
Start of MODEL 16
1 H1 TYR 1 H TYR 1 -11.263 4.484 0.147
2 HA TYR 1 HA TYR 1 -10.579 3.301 2.738
3 HB2 TYR 1 2HB TYR 1 -11.742 1.961 0.287
4 HB3 TYR 1 1HB TYR 1 -11.225 1.123 1.742
5 HD1 TYR 1 2HD TYR 1 -12.472 1.498 3.878
6 HD2 TYR 1 1HD TYR 1 -13.872 3.005 0.159
7 HE1 TYR 1 2HE TYR 1 -14.714 1.779 4.844
8 HE2 TYR 1 1HE TYR 1 -16.112 3.299 1.111
9 HH TYR 1 HH TYR 1 -17.432 2.317 2.955
10 H CYS 2 H CYS 2 -9.312 4.535 0.054
11 HA CYS 2 HA CYS 2 -7.300 2.603 -0.494
12 HB2 CYS 2 2HB CYS 2 -7.695 5.448 -1.325
13 HB3 CYS 2 1HB CYS 2 -6.121 4.699 -1.531
14 H GLN 3 H GLN 3 -5.122 2.840 -0.122
15 HA GLN 3 HA GLN 3 -4.552 3.635 2.584
16 HB2 GLN 3 2HB GLN 3 -3.141 2.138 0.417
17 HB3 GLN 3 1HB GLN 3 -2.247 2.628 1.823
18 HG2 GLN 3 2HG GLN 3 -2.987 0.289 1.934
19 HG3 GLN 3 1HG GLN 3 -3.702 1.239 3.227
20 HE21 GLN 3 1HE2 GLN 3 -5.858 1.517 3.285
21 HE22 GLN 3 2HE2 GLN 3 -6.973 0.730 2.243
22 H LYS 4 H LYS 4 -4.429 5.819 2.605
23 HA LYS 4 HA LYS 4 -2.894 7.171 0.545
24 HB2 LYS 4 2HB LYS 4 -4.484 8.150 2.878
25 HB3 LYS 4 1HB LYS 4 -3.612 9.224 1.799
26 HG2 LYS 4 2HG LYS 4 -4.949 8.381 -0.087
27 HG3 LYS 4 1HG LYS 4 -5.838 7.353 1.037
28 HD2 LYS 4 2HD LYS 4 -5.611 10.308 1.285
29 HD3 LYS 4 1HD LYS 4 -6.962 9.514 0.454
30 HE2 LYS 4 2HE LYS 4 -7.473 8.296 2.551
31 HE3 LYS 4 1HE LYS 4 -6.165 9.154 3.356
32 HZ1 LYS 4 3HZ LYS 4 -8.334 10.092 3.791
33 HZ2 LYS 4 1HZ LYS 4 -8.553 10.445 2.167
34 HZ3 LYS 4 2HZ LYS 4 -7.334 11.208 3.068
35 H TRP 5 H TRP 5 -0.956 7.354 0.700
36 HA TRP 5 HA TRP 5 1.179 6.956 1.415
37 HB2 TRP 5 2HB TRP 5 0.711 9.323 2.217
38 HB3 TRP 5 1HB TRP 5 0.342 8.651 3.798
39 HD1 TRP 5 HD TRP 5 3.332 7.248 1.824
40 HE1 TRP 5 1HE TRP 5 5.494 7.910 3.007
41 HE3 TRP 5 3HE TRP 5 1.374 10.400 5.325
42 HZ2 TRP 5 2HZ TRP 5 6.281 9.548 5.189
43 HZ3 TRP 5 3HZ TRP 5 2.905 11.471 6.937
44 HH2 TRP 5 HH TRP 5 5.305 11.046 6.860
45 H MET 6 H MET 6 1.843 6.825 4.418
46 HA MET 6 HA MET 6 1.846 4.055 4.468
47 HB2 MET 6 2HB MET 6 2.725 4.218 6.811
48 HB3 MET 6 1HB MET 6 3.613 5.141 5.611
49 HG2 MET 6 2HG MET 6 2.604 7.190 6.418
50 HG3 MET 6 1HG MET 6 1.596 6.274 7.535
51 HE1 MET 6 3HE MET 6 6.205 6.559 7.911
52 HE2 MET 6 1HE MET 6 5.283 7.327 6.620
53 HE3 MET 6 2HE MET 6 5.411 5.567 6.691
54 H TRP 7 H TRP 7 0.144 2.887 4.539
55 HA TRP 7 HA TRP 7 -1.679 3.009 6.860
56 HB2 TRP 7 2HB TRP 7 -2.428 2.952 3.952
57 HB3 TRP 7 1HB TRP 7 -3.443 2.111 5.104
58 HD1 TRP 7 HD TRP 7 -1.906 5.638 5.422
59 HE1 TRP 7 1HE TRP 7 -3.860 7.325 5.742
60 HE3 TRP 7 3HE TRP 7 -5.811 2.432 4.990
61 HZ2 TRP 7 2HZ TRP 7 -6.662 7.274 5.790
62 HZ3 TRP 7 3HZ TRP 7 -8.101 3.316 5.169
63 HH2 TRP 7 HH TRP 7 -8.509 5.688 5.563
64 H THR 8 H THR 8 -3.068 0.845 6.793
65 HA THR 8 HA THR 8 -1.161 -1.306 6.466
66 HB THR 8 HB THR 8 -3.069 -2.581 7.621
67 HG1 THR 8 1HG THR 8 -4.584 -0.767 7.122
68 HG21 THR 8 3HG2 THR 8 -2.434 -1.706 9.832
69 HG22 THR 8 1HG2 THR 8 -1.744 -0.278 9.061
70 HG23 THR 8 2HG2 THR 8 -1.030 -1.865 8.781
71 H CYS 9 H CYS 9 -1.803 -3.265 5.334
72 HA CYS 9 HA CYS 9 -3.751 -2.699 3.225
73 HB2 CYS 9 2HB CYS 9 -2.417 -4.246 1.813
74 HB3 CYS 9 1HB CYS 9 -1.574 -2.772 2.263
75 H ASP 10 H ASP 10 -4.719 -4.600 2.253
76 HA ASP 10 HA ASP 10 -4.945 -6.931 4.010
77 HB2 ASP 10 2HB ASP 10 -7.185 -5.462 2.558
78 HB3 ASP 10 1HB ASP 10 -7.349 -7.067 3.231
79 H SER 11 H SER 11 -6.156 -8.681 2.414
80 HA SER 11 HA SER 11 -4.463 -8.749 0.113
81 HB2 SER 11 2HB SER 11 -5.756 -10.909 -0.298
82 HB3 SER 11 1HB SER 11 -4.828 -10.831 1.201
83 HG SER 11 HG SER 11 -7.402 -11.293 0.903
84 H GLU 12 H GLU 12 -7.843 -8.288 0.840
85 HA GLU 12 HA GLU 12 -8.633 -7.964 -1.900
86 HB2 GLU 12 2HB GLU 12 -10.089 -7.292 0.645
87 HB3 GLU 12 1HB GLU 12 -10.797 -7.294 -0.963
88 HG2 GLU 12 2HG GLU 12 -10.353 -9.684 -1.148
89 HG3 GLU 12 1HG GLU 12 -9.646 -9.666 0.466
90 H ARG 13 H ARG 13 -7.569 -5.887 0.671
91 HA ARG 13 HA ARG 13 -8.258 -3.580 -0.978
92 HB2 ARG 13 2HB ARG 13 -8.996 -3.557 1.427
93 HB3 ARG 13 1HB ARG 13 -7.299 -3.571 1.881
94 HG2 ARG 13 2HG ARG 13 -8.126 -1.325 1.997
95 HG3 ARG 13 1HG ARG 13 -6.958 -1.486 0.690
96 HD2 ARG 13 2HD ARG 13 -8.918 -0.129 0.042
97 HD3 ARG 13 1HD ARG 13 -8.698 -1.551 -0.969
98 HE ARG 13 HE ARG 13 -10.428 -2.326 1.010
99 HH11 ARG 13 1HH1 ARG 13 -10.428 0.132 -1.525
100 HH12 ARG 13 2HH1 ARG 13 -12.111 0.210 -1.688
101 HH21 ARG 13 1HH2 ARG 13 -12.782 -2.281 0.788
102 HH22 ARG 13 2HH2 ARG 13 -13.507 -1.217 -0.302
103 H LYS 14 H LYS 14 -6.743 -3.089 -2.282
104 HA LYS 14 HA LYS 14 -3.986 -3.683 -1.550
105 HB2 LYS 14 2HB LYS 14 -5.136 -3.163 -4.302
106 HB3 LYS 14 1HB LYS 14 -3.480 -3.641 -3.947
107 HG2 LYS 14 2HG LYS 14 -4.350 -5.760 -2.976
108 HG3 LYS 14 1HG LYS 14 -5.965 -5.283 -3.485
109 HD2 LYS 14 2HD LYS 14 -5.140 -5.196 -5.828
110 HD3 LYS 14 1HD LYS 14 -3.584 -5.799 -5.264
111 HE2 LYS 14 2HE LYS 14 -6.241 -7.224 -5.050
112 HE3 LYS 14 1HE LYS 14 -4.934 -7.621 -6.160
113 HZ1 LYS 14 3HZ LYS 14 -3.539 -8.143 -4.179
114 HZ2 LYS 14 1HZ LYS 14 -4.907 -9.115 -4.286
115 HZ3 LYS 14 2HZ LYS 14 -4.884 -7.870 -3.193
116 H CYS 15 H CYS 15 -2.454 -2.182 -1.610
117 HA CYS 15 HA CYS 15 -3.356 0.367 -0.880
118 HB2 CYS 15 2HB CYS 15 -0.534 -0.637 -1.248
119 HB3 CYS 15 1HB CYS 15 -1.048 0.841 -0.404
120 H CYS 16 H CYS 16 -3.932 1.831 -2.068
121 HA CYS 16 HA CYS 16 -3.648 1.914 -4.877
122 HB2 CYS 16 2HB CYS 16 -4.610 4.108 -3.016
123 HB3 CYS 16 1HB CYS 16 -4.963 3.968 -4.738
124 H GLU 17 H GLU 17 -2.725 3.714 -6.151
125 HA GLU 17 HA GLU 17 -1.116 5.075 -6.859
126 HB2 GLU 17 2HB GLU 17 -0.694 5.266 -3.993
127 HB3 GLU 17 1HB GLU 17 0.492 6.065 -5.049
128 HG2 GLU 17 2HG GLU 17 -2.487 6.580 -4.749
129 HG3 GLU 17 1HG GLU 17 -1.197 7.654 -4.219
130 H GLY 18 H GLY 18 -0.841 2.196 -5.983
131 HA2 GLY 18 2HA GLY 18 0.657 0.514 -6.508
132 HA3 GLY 18 1HA GLY 18 1.716 1.751 -7.177
133 H MET 19 H MET 19 0.448 1.220 -3.923
134 HA MET 19 HA MET 19 3.136 1.700 -2.920
135 HB2 MET 19 2HB MET 19 0.468 1.630 -1.530
136 HB3 MET 19 1HB MET 19 2.003 1.885 -0.707
137 HG2 MET 19 2HG MET 19 2.355 3.908 -2.023
138 HG3 MET 19 1HG MET 19 0.805 3.649 -2.822
139 HE1 MET 19 3HE MET 19 0.125 6.076 -2.186
140 HE2 MET 19 1HE MET 19 1.619 6.358 -1.299
141 HE3 MET 19 2HE MET 19 0.065 6.702 -0.540
142 H VAL 20 H VAL 20 4.105 0.268 -1.451
143 HA VAL 20 HA VAL 20 3.497 -2.471 -2.067
144 HB VAL 20 HB VAL 20 5.531 -3.051 -0.720
145 HG11 VAL 20 1HG1 VAL 20 7.123 -2.072 -2.311
146 HG12 VAL 20 2HG1 VAL 20 5.875 -0.947 -2.848
147 HG13 VAL 20 3HG1 VAL 20 5.674 -2.679 -3.113
148 HG21 VAL 20 3HG2 VAL 20 7.033 -1.239 -0.006
149 HG22 VAL 20 1HG2 VAL 20 5.499 -1.169 0.859
150 HG23 VAL 20 2HG2 VAL 20 5.818 -0.046 -0.463
151 H CYS 21 H CYS 21 2.396 -3.883 -0.975
152 HA CYS 21 HA CYS 21 1.066 -3.282 1.490
153 HB2 CYS 21 2HB CYS 21 0.128 -4.795 -0.299
154 HB3 CYS 21 1HB CYS 21 1.497 -5.850 0.093
155 H ARG 22 H ARG 22 2.279 -3.155 3.254
156 HA ARG 22 HA ARG 22 3.941 -5.366 4.073
157 HB2 ARG 22 2HB ARG 22 4.639 -2.595 3.435
158 HB3 ARG 22 1HB ARG 22 5.588 -3.383 4.716
159 HG2 ARG 22 2HG ARG 22 5.257 -4.103 1.830
160 HG3 ARG 22 1HG ARG 22 6.723 -3.414 2.537
161 HD2 ARG 22 2HD ARG 22 6.892 -5.478 3.946
162 HD3 ARG 22 1HD ARG 22 5.517 -6.134 3.066
163 HE ARG 22 HE ARG 22 7.173 -5.525 1.082
164 HH11 ARG 22 1HH1 ARG 22 7.734 -7.287 4.093
165 HH12 ARG 22 2HH1 ARG 22 8.944 -8.292 3.446
166 HH21 ARG 22 1HH2 ARG 22 8.829 -6.939 0.183
167 HH22 ARG 22 2HH2 ARG 22 9.549 -8.097 1.187
168 H LEU 23 H LEU 23 4.938 -3.632 6.213
169 HA LEU 23 HA LEU 23 2.810 -3.796 8.076
170 HB2 LEU 23 2HB LEU 23 5.332 -2.095 8.282
171 HB3 LEU 23 1HB LEU 23 4.221 -2.400 9.584
172 HG LEU 23 HG LEU 23 4.859 -4.844 9.436
173 HD11 LEU 23 1HD1 LEU 23 7.073 -3.797 7.685
174 HD12 LEU 23 2HD1 LEU 23 5.794 -4.911 7.201
175 HD13 LEU 23 3HD1 LEU 23 6.992 -5.408 8.395
176 HD21 LEU 23 3HD2 LEU 23 5.716 -3.376 11.167
177 HD22 LEU 23 1HD2 LEU 23 7.019 -2.855 10.099
178 HD23 LEU 23 2HD2 LEU 23 6.953 -4.527 10.657
179 H TRP 24 H TRP 24 4.234 -1.229 6.215
180 HA TRP 24 HA TRP 24 1.749 0.268 6.312
181 HB2 TRP 24 2HB TRP 24 4.509 1.340 6.832
182 HB3 TRP 24 1HB TRP 24 3.257 2.361 6.155
183 HD1 TRP 24 HD TRP 24 0.988 2.590 7.791
184 HE1 TRP 24 1HE TRP 24 0.915 2.857 10.341
185 HE3 TRP 24 3HE TRP 24 5.610 0.778 8.872
186 HZ2 TRP 24 2HZ TRP 24 2.643 2.360 12.541
187 HZ3 TRP 24 3HZ TRP 24 6.341 0.709 11.228
188 HH2 TRP 24 HH TRP 24 4.880 1.487 13.018
189 H CYS 25 H CYS 25 1.102 0.529 4.348
190 HA CYS 25 HA CYS 25 2.784 0.087 2.090
191 HB2 CYS 25 2HB CYS 25 -0.012 1.194 2.323
192 HB3 CYS 25 1HB CYS 25 0.804 0.887 0.792
193 H LYS 26 H LYS 26 4.026 1.472 1.136
194 HA LYS 26 HA LYS 26 3.488 4.331 1.295
195 HB2 LYS 26 2HB LYS 26 6.168 3.014 1.829
196 HB3 LYS 26 1HB LYS 26 5.933 4.733 1.582
197 HG2 LYS 26 2HG LYS 26 4.659 4.919 3.597
198 HG3 LYS 26 1HG LYS 26 4.652 3.172 3.816
199 HD2 LYS 26 2HD LYS 26 6.294 4.188 5.294
200 HD3 LYS 26 1HD LYS 26 7.105 3.225 4.064
201 HE2 LYS 26 2HE LYS 26 7.596 5.247 2.792
202 HE3 LYS 26 1HE LYS 26 6.763 6.221 4.004
203 HZ1 LYS 26 3HZ LYS 26 9.231 4.610 4.442
204 HZ2 LYS 26 1HZ LYS 26 8.412 5.480 5.633
205 HZ3 LYS 26 2HZ LYS 26 9.113 6.290 4.368
206 H LYS 27 H LYS 27 4.912 5.441 -0.399
207 HA LYS 27 HA LYS 27 4.415 4.063 -2.846
208 HB2 LYS 27 2HB LYS 27 5.914 6.648 -2.468
209 HB3 LYS 27 1HB LYS 27 5.207 6.053 -3.956
210 HG2 LYS 27 2HG LYS 27 2.968 6.229 -2.827
211 HG3 LYS 27 1HG LYS 27 3.798 7.079 -1.514
212 HD2 LYS 27 2HD LYS 27 3.635 7.926 -4.417
213 HD3 LYS 27 1HD LYS 27 2.832 8.695 -3.052
214 HE2 LYS 27 2HE LYS 27 5.812 8.548 -3.530
215 HE3 LYS 27 1HE LYS 27 4.796 9.960 -3.755
216 HZ1 LYS 27 3HZ LYS 27 6.019 9.991 -1.663
217 HZ2 LYS 27 1HZ LYS 27 5.231 8.602 -1.150
218 HZ3 LYS 27 2HZ LYS 27 4.358 10.026 -1.401
219 H LYS 28 H LYS 28 5.800 3.084 -4.110
220 HA LYS 28 HA LYS 28 8.531 2.890 -3.156
221 HB2 LYS 28 2HB LYS 28 8.721 0.988 -4.777
222 HB3 LYS 28 1HB LYS 28 7.616 0.717 -3.444
223 HG2 LYS 28 2HG LYS 28 5.714 1.054 -4.876
224 HG3 LYS 28 1HG LYS 28 6.756 1.554 -6.209
225 HD2 LYS 28 2HD LYS 28 6.829 -1.174 -4.923
226 HD3 LYS 28 1HD LYS 28 5.928 -0.796 -6.389
227 HE2 LYS 28 2HE LYS 28 8.016 -0.112 -7.476
228 HE3 LYS 28 1HE LYS 28 8.920 -0.539 -6.025
229 HZ1 LYS 28 3HZ LYS 28 7.337 -2.398 -7.701
230 HZ2 LYS 28 1HZ LYS 28 8.192 -2.826 -6.307
231 HZ3 LYS 28 2HZ LYS 28 9.010 -2.275 -7.672
232 H LEU 29 H LEU 29 9.625 4.517 -3.909
233 HA LEU 29 HA LEU 29 9.223 5.468 -6.608
234 HB2 LEU 29 2HB LEU 29 9.555 7.031 -4.715
235 HB3 LEU 29 1HB LEU 29 11.145 6.355 -4.450
236 HG LEU 29 HG LEU 29 11.890 7.237 -6.619
237 HD11 LEU 29 1HD1 LEU 29 9.124 8.438 -6.773
238 HD12 LEU 29 2HD1 LEU 29 9.767 7.168 -7.816
239 HD13 LEU 29 3HD1 LEU 29 10.463 8.786 -7.866
240 HD21 LEU 29 3HD2 LEU 29 10.562 9.282 -4.847
241 HD22 LEU 29 1HD2 LEU 29 11.848 9.600 -6.009
242 HD23 LEU 29 2HD2 LEU 29 12.162 8.580 -4.607
243 H TRP 30 H TRP 30 11.260 3.411 -4.803
244 HA TRP 30 HA TRP 30 12.886 2.869 -7.183
245 HB2 TRP 30 2HB TRP 30 13.885 2.865 -4.311
246 HB3 TRP 30 1HB TRP 30 14.806 2.367 -5.716
247 HD1 TRP 30 HD TRP 30 15.553 4.272 -7.345
248 HE1 TRP 30 1HE TRP 30 16.048 6.811 -6.937
249 HE3 TRP 30 3HE TRP 30 13.147 4.809 -2.927
250 HZ2 TRP 30 2HZ TRP 30 15.465 8.731 -4.944
251 HZ3 TRP 30 3HZ TRP 30 13.148 6.999 -1.814
252 HH2 TRP 30 HH TRP 30 14.290 8.918 -2.808
Start of MODEL 17
1 H1 TYR 1 H TYR 1 -11.092 4.742 1.783
2 HA TYR 1 HA TYR 1 -10.606 2.532 1.575
3 HB2 TYR 1 2HB TYR 1 -11.259 2.904 -1.362
4 HB3 TYR 1 1HB TYR 1 -10.970 1.361 -0.571
5 HD1 TYR 1 1HD TYR 1 -12.617 0.544 1.142
6 HD2 TYR 1 2HD TYR 1 -13.380 3.947 -1.291
7 HE1 TYR 1 1HE TYR 1 -15.012 0.370 1.654
8 HE2 TYR 1 2HE TYR 1 -15.764 3.785 -0.791
9 HH TYR 1 HH TYR 1 -17.371 2.088 -0.074
10 H CYS 2 H CYS 2 -9.190 5.022 -0.074
11 HA CYS 2 HA CYS 2 -6.977 3.446 -0.983
12 HB2 CYS 2 2HB CYS 2 -7.748 6.275 -1.463
13 HB3 CYS 2 1HB CYS 2 -6.099 5.738 -1.777
14 H GLN 3 H GLN 3 -4.995 3.606 -0.455
15 HA GLN 3 HA GLN 3 -4.608 4.128 2.277
16 HB2 GLN 3 2HB GLN 3 -2.967 2.717 0.165
17 HB3 GLN 3 1HB GLN 3 -2.236 3.134 1.706
18 HG2 GLN 3 2HG GLN 3 -3.057 0.844 1.653
19 HG3 GLN 3 1HG GLN 3 -3.844 1.790 2.904
20 HE21 GLN 3 1HE2 GLN 3 -5.671 0.929 3.078
21 HE22 GLN 3 2HE2 GLN 3 -6.858 0.828 1.834
22 H LYS 4 H LYS 4 -3.886 6.215 2.815
23 HA LYS 4 HA LYS 4 -2.376 7.687 0.788
24 HB2 LYS 4 2HB LYS 4 -3.672 8.557 3.357
25 HB3 LYS 4 1HB LYS 4 -2.760 9.634 2.303
26 HG2 LYS 4 2HG LYS 4 -4.381 9.107 0.488
27 HG3 LYS 4 1HG LYS 4 -5.322 8.191 1.667
28 HD2 LYS 4 2HD LYS 4 -4.544 11.048 1.973
29 HD3 LYS 4 1HD LYS 4 -6.093 10.544 1.282
30 HE2 LYS 4 2HE LYS 4 -6.672 9.441 3.389
31 HE3 LYS 4 1HE LYS 4 -5.106 9.875 4.069
32 HZ1 LYS 4 3HZ LYS 4 -5.689 12.183 3.854
33 HZ2 LYS 4 1HZ LYS 4 -6.809 11.377 4.820
34 HZ3 LYS 4 2HZ LYS 4 -7.202 11.811 3.220
35 H TRP 5 H TRP 5 -0.388 7.592 0.849
36 HA TRP 5 HA TRP 5 1.643 6.597 1.400
37 HB2 TRP 5 2HB TRP 5 1.436 9.048 2.463
38 HB3 TRP 5 1HB TRP 5 1.643 8.141 3.957
39 HD1 TRP 5 HD TRP 5 3.981 6.332 3.759
40 HE1 TRP 5 1HE TRP 5 6.311 6.994 2.904
41 HE3 TRP 5 3HE TRP 5 2.715 10.481 1.054
42 HZ2 TRP 5 2HZ TRP 5 7.459 8.991 1.299
43 HZ3 TRP 5 3HZ TRP 5 4.489 11.705 -0.111
44 HH2 TRP 5 HH TRP 5 6.809 10.977 0.003
45 H MET 6 H MET 6 2.127 6.569 4.525
46 HA MET 6 HA MET 6 1.873 3.776 4.663
47 HB2 MET 6 2HB MET 6 2.590 3.916 7.008
48 HB3 MET 6 1HB MET 6 3.614 4.854 5.936
49 HG2 MET 6 2HG MET 6 2.590 6.894 6.693
50 HG3 MET 6 1HG MET 6 1.427 5.987 7.654
51 HE1 MET 6 3HE MET 6 3.598 7.561 10.437
52 HE2 MET 6 1HE MET 6 1.986 7.382 9.756
53 HE3 MET 6 2HE MET 6 3.204 8.336 8.902
54 H TRP 7 H TRP 7 0.056 2.863 4.536
55 HA TRP 7 HA TRP 7 -1.875 3.143 6.744
56 HB2 TRP 7 2HB TRP 7 -2.472 3.243 3.806
57 HB3 TRP 7 1HB TRP 7 -3.610 2.451 4.877
58 HD1 TRP 7 HD TRP 7 -1.800 5.836 5.377
59 HE1 TRP 7 1HE TRP 7 -3.589 7.654 5.682
60 HE3 TRP 7 3HE TRP 7 -5.937 2.964 4.714
61 HZ2 TRP 7 2HZ TRP 7 -6.393 7.834 5.655
62 HZ3 TRP 7 3HZ TRP 7 -8.146 4.026 4.866
63 HH2 TRP 7 HH TRP 7 -8.361 6.424 5.327
64 H THR 8 H THR 8 -3.233 1.124 6.859
65 HA THR 8 HA THR 8 -1.481 -1.093 6.430
66 HB THR 8 HB THR 8 -3.301 -2.300 7.684
67 HG1 THR 8 1HG THR 8 -5.105 -1.254 7.541
68 HG21 THR 8 3HG2 THR 8 -1.364 -1.362 8.844
69 HG22 THR 8 1HG2 THR 8 -2.818 -1.191 9.827
70 HG23 THR 8 2HG2 THR 8 -2.173 0.200 8.954
71 H CYS 9 H CYS 9 -1.870 -2.786 5.028
72 HA CYS 9 HA CYS 9 -4.178 -2.509 3.253
73 HB2 CYS 9 2HB CYS 9 -2.785 -3.820 1.619
74 HB3 CYS 9 1HB CYS 9 -2.164 -2.212 1.984
75 H ASP 10 H ASP 10 -4.563 -4.828 2.231
76 HA ASP 10 HA ASP 10 -4.420 -6.846 4.346
77 HB2 ASP 10 2HB ASP 10 -6.918 -6.059 2.788
78 HB3 ASP 10 1HB ASP 10 -6.762 -7.492 3.785
79 H SER 11 H SER 11 -5.563 -8.929 3.063
80 HA SER 11 HA SER 11 -3.784 -9.390 0.892
81 HB2 SER 11 2HB SER 11 -4.640 -11.211 2.425
82 HB3 SER 11 1HB SER 11 -6.230 -10.999 1.701
83 HG SER 11 HG SER 11 -4.053 -12.324 0.777
84 H GLU 12 H GLU 12 -7.202 -8.731 1.273
85 HA GLU 12 HA GLU 12 -7.807 -8.581 -1.520
86 HB2 GLU 12 2HB GLU 12 -9.257 -7.620 0.921
87 HB3 GLU 12 1HB GLU 12 -9.902 -7.503 -0.700
88 HG2 GLU 12 2HG GLU 12 -9.829 -9.954 -0.865
89 HG3 GLU 12 1HG GLU 12 -9.236 -10.024 0.798
90 H ARG 13 H ARG 13 -7.439 -6.236 1.085
91 HA ARG 13 HA ARG 13 -7.817 -4.027 -0.651
92 HB2 ARG 13 2HB ARG 13 -8.492 -3.912 1.690
93 HB3 ARG 13 1HB ARG 13 -6.822 -4.106 2.189
94 HG2 ARG 13 2HG ARG 13 -7.510 -1.768 2.357
95 HG3 ARG 13 1HG ARG 13 -6.236 -2.027 1.153
96 HD2 ARG 13 2HD ARG 13 -8.000 -0.460 0.416
97 HD3 ARG 13 1HD ARG 13 -7.751 -1.840 -0.650
98 HE ARG 13 HE ARG 13 -9.824 -2.331 1.210
99 HH11 ARG 13 1HH1 ARG 13 -9.131 -0.500 -1.750
100 HH12 ARG 13 2HH1 ARG 13 -10.756 -0.509 -2.295
101 HH21 ARG 13 1HH2 ARG 13 -12.063 -2.342 0.409
102 HH22 ARG 13 2HH2 ARG 13 -12.413 -1.563 -1.066
103 H LYS 14 H LYS 14 -6.433 -3.358 -1.987
104 HA LYS 14 HA LYS 14 -3.595 -3.774 -1.516
105 HB2 LYS 14 2HB LYS 14 -3.315 -3.207 -3.910
106 HB3 LYS 14 1HB LYS 14 -4.350 -4.597 -3.651
107 HG2 LYS 14 2HG LYS 14 -6.309 -3.144 -3.961
108 HG3 LYS 14 1HG LYS 14 -5.220 -1.805 -4.332
109 HD2 LYS 14 2HD LYS 14 -4.289 -3.098 -6.191
110 HD3 LYS 14 1HD LYS 14 -5.398 -4.418 -5.816
111 HE2 LYS 14 2HE LYS 14 -6.331 -3.154 -7.617
112 HE3 LYS 14 1HE LYS 14 -7.259 -2.874 -6.133
113 HZ1 LYS 14 3HZ LYS 14 -6.841 -0.806 -7.378
114 HZ2 LYS 14 1HZ LYS 14 -5.184 -1.023 -7.169
115 HZ3 LYS 14 2HZ LYS 14 -6.183 -0.768 -5.841
116 H CYS 15 H CYS 15 -2.162 -1.950 -2.177
117 HA CYS 15 HA CYS 15 -3.107 0.397 -0.765
118 HB2 CYS 15 2HB CYS 15 -0.381 -0.099 -1.917
119 HB3 CYS 15 1HB CYS 15 -0.860 0.984 -0.610
120 H CYS 16 H CYS 16 -3.950 1.999 -1.858
121 HA CYS 16 HA CYS 16 -3.897 2.301 -4.643
122 HB2 CYS 16 2HB CYS 16 -4.568 4.263 -2.466
123 HB3 CYS 16 1HB CYS 16 -4.692 4.690 -4.166
124 H GLU 17 H GLU 17 -3.027 4.051 -5.925
125 HA GLU 17 HA GLU 17 -1.470 5.359 -6.786
126 HB2 GLU 17 2HB GLU 17 -1.497 6.505 -4.505
127 HB3 GLU 17 1HB GLU 17 -0.122 5.507 -4.067
128 HG2 GLU 17 2HG GLU 17 0.594 7.713 -4.743
129 HG3 GLU 17 1HG GLU 17 1.149 6.481 -5.888
130 H GLY 18 H GLY 18 -1.319 2.436 -6.122
131 HA2 GLY 18 2HA GLY 18 -0.021 0.638 -6.669
132 HA3 GLY 18 1HA GLY 18 0.976 1.750 -7.596
133 H MET 19 H MET 19 0.266 1.502 -4.163
134 HA MET 19 HA MET 19 3.134 1.695 -3.693
135 HB2 MET 19 2HB MET 19 0.835 2.078 -1.781
136 HB3 MET 19 1HB MET 19 2.529 2.195 -1.323
137 HG2 MET 19 2HG MET 19 2.750 4.021 -3.046
138 HG3 MET 19 1HG MET 19 0.999 3.967 -3.206
139 HE1 MET 19 3HE MET 19 0.221 3.346 -0.108
140 HE2 MET 19 1HE MET 19 -0.659 4.459 -1.158
141 HE3 MET 19 2HE MET 19 -0.115 4.990 0.432
142 H VAL 20 H VAL 20 4.014 0.438 -1.848
143 HA VAL 20 HA VAL 20 3.369 -2.294 -2.469
144 HB VAL 20 HB VAL 20 5.711 -1.701 -2.555
145 HG11 VAL 20 1HG1 VAL 20 5.508 -0.957 0.349
146 HG12 VAL 20 2HG1 VAL 20 5.728 0.152 -1.002
147 HG13 VAL 20 3HG1 VAL 20 6.992 -1.009 -0.607
148 HG21 VAL 20 3HG2 VAL 20 5.179 -3.463 -0.164
149 HG22 VAL 20 1HG2 VAL 20 6.691 -3.395 -1.070
150 HG23 VAL 20 2HG2 VAL 20 5.216 -3.980 -1.847
151 H CYS 21 H CYS 21 2.414 -3.688 -1.248
152 HA CYS 21 HA CYS 21 1.136 -2.858 1.175
153 HB2 CYS 21 2HB CYS 21 -0.023 -4.246 -0.515
154 HB3 CYS 21 1HB CYS 21 1.153 -5.525 -0.262
155 H ARG 22 H ARG 22 1.601 -3.531 3.207
156 HA ARG 22 HA ARG 22 3.473 -5.517 3.937
157 HB2 ARG 22 2HB ARG 22 4.888 -3.526 2.999
158 HB3 ARG 22 1HB ARG 22 4.279 -2.603 4.355
159 HG2 ARG 22 2HG ARG 22 6.529 -3.397 4.757
160 HG3 ARG 22 1HG ARG 22 5.434 -4.147 5.907
161 HD2 ARG 22 2HD ARG 22 5.374 -6.150 4.435
162 HD3 ARG 22 1HD ARG 22 6.561 -5.369 3.396
163 HE ARG 22 HE ARG 22 7.746 -5.277 5.793
164 HH11 ARG 22 1HH1 ARG 22 6.145 -7.937 4.112
165 HH12 ARG 22 2HH1 ARG 22 7.206 -9.133 4.677
166 HH21 ARG 22 1HH2 ARG 22 9.218 -6.945 6.603
167 HH22 ARG 22 2HH2 ARG 22 8.995 -8.562 6.123
168 H LEU 23 H LEU 23 3.933 -4.278 6.554
169 HA LEU 23 HA LEU 23 1.424 -4.293 7.792
170 HB2 LEU 23 2HB LEU 23 3.926 -2.829 8.649
171 HB3 LEU 23 1HB LEU 23 2.547 -3.146 9.675
172 HG LEU 23 HG LEU 23 4.417 -5.207 8.524
173 HD11 LEU 23 1HD1 LEU 23 5.110 -5.521 10.829
174 HD12 LEU 23 2HD1 LEU 23 4.008 -4.244 11.344
175 HD13 LEU 23 3HD1 LEU 23 5.384 -3.856 10.313
176 HD21 LEU 23 3HD2 LEU 23 2.052 -5.524 10.372
177 HD22 LEU 23 1HD2 LEU 23 3.185 -6.796 9.916
178 HD23 LEU 23 2HD2 LEU 23 2.142 -6.074 8.698
179 H TRP 24 H TRP 24 3.350 -1.764 6.373
180 HA TRP 24 HA TRP 24 0.997 -0.107 6.183
181 HB2 TRP 24 2HB TRP 24 3.647 0.789 7.302
182 HB3 TRP 24 1HB TRP 24 2.588 1.945 6.514
183 HD1 TRP 24 HD TRP 24 0.247 2.480 7.755
184 HE1 TRP 24 1HE TRP 24 -0.467 2.234 10.220
185 HE3 TRP 24 3HE TRP 24 3.960 -0.544 9.305
186 HZ2 TRP 24 2HZ TRP 24 0.459 0.902 12.541
187 HZ3 TRP 24 3HZ TRP 24 4.017 -1.299 11.683
188 HH2 TRP 24 HH TRP 24 2.289 -0.574 13.257
189 H CYS 25 H CYS 25 0.642 0.426 4.259
190 HA CYS 25 HA CYS 25 2.293 -0.152 2.043
191 HB2 CYS 25 2HB CYS 25 0.038 1.839 2.230
192 HB3 CYS 25 1HB CYS 25 0.685 1.104 0.772
193 H LYS 26 H LYS 26 3.865 1.072 1.220
194 HA LYS 26 HA LYS 26 3.805 3.935 1.671
195 HB2 LYS 26 2HB LYS 26 6.293 2.225 2.057
196 HB3 LYS 26 1HB LYS 26 6.256 3.979 2.067
197 HG2 LYS 26 2HG LYS 26 4.741 3.851 4.056
198 HG3 LYS 26 1HG LYS 26 5.022 2.113 4.082
199 HD2 LYS 26 2HD LYS 26 7.441 2.541 4.337
200 HD3 LYS 26 1HD LYS 26 7.108 4.274 4.372
201 HE2 LYS 26 2HE LYS 26 5.608 3.855 6.341
202 HE3 LYS 26 1HE LYS 26 6.186 2.195 6.349
203 HZ1 LYS 26 3HZ LYS 26 8.453 3.067 6.659
204 HZ2 LYS 26 1HZ LYS 26 7.418 3.514 7.917
205 HZ3 LYS 26 2HZ LYS 26 7.817 4.630 6.731
206 H LYS 27 H LYS 27 5.068 5.016 0.032
207 HA LYS 27 HA LYS 27 4.838 3.536 -2.408
208 HB2 LYS 27 2HB LYS 27 5.568 5.671 -3.540
209 HB3 LYS 27 1HB LYS 27 4.081 5.756 -2.611
210 HG2 LYS 27 2HG LYS 27 5.246 6.892 -0.808
211 HG3 LYS 27 1HG LYS 27 6.772 6.741 -1.679
212 HD2 LYS 27 2HD LYS 27 5.780 8.986 -1.930
213 HD3 LYS 27 1HD LYS 27 5.919 8.150 -3.474
214 HE2 LYS 27 2HE LYS 27 3.539 7.559 -3.370
215 HE3 LYS 27 1HE LYS 27 3.405 8.364 -1.806
216 HZ1 LYS 27 3HZ LYS 27 2.611 9.726 -3.649
217 HZ2 LYS 27 1HZ LYS 27 4.141 9.712 -4.357
218 HZ3 LYS 27 2HZ LYS 27 3.889 10.444 -2.858
219 H LYS 28 H LYS 28 6.436 3.220 -3.926
220 HA LYS 28 HA LYS 28 8.791 2.146 -2.829
221 HB2 LYS 28 2HB LYS 28 8.060 2.716 -5.713
222 HB3 LYS 28 1HB LYS 28 9.415 1.732 -5.183
223 HG2 LYS 28 2HG LYS 28 7.913 0.113 -4.198
224 HG3 LYS 28 1HG LYS 28 6.522 1.111 -4.611
225 HD2 LYS 28 2HD LYS 28 6.737 -0.682 -6.229
226 HD3 LYS 28 1HD LYS 28 7.093 0.854 -7.010
227 HE2 LYS 28 2HE LYS 28 8.690 -0.827 -7.730
228 HE3 LYS 28 1HE LYS 28 9.506 0.393 -6.759
229 HZ1 LYS 28 3HZ LYS 28 9.432 -1.123 -4.870
230 HZ2 LYS 28 1HZ LYS 28 10.219 -1.833 -6.168
231 HZ3 LYS 28 2HZ LYS 28 8.654 -2.289 -5.802
232 H LEU 29 H LEU 29 10.357 3.319 -2.083
233 HA LEU 29 HA LEU 29 11.307 5.679 -3.557
234 HB2 LEU 29 2HB LEU 29 10.936 5.452 -0.560
235 HB3 LEU 29 1HB LEU 29 11.675 6.799 -1.392
236 HG LEU 29 HG LEU 29 8.783 5.985 -1.669
237 HD11 LEU 29 1HD1 LEU 29 8.327 8.016 -0.382
238 HD12 LEU 29 2HD1 LEU 29 10.060 8.232 -0.122
239 HD13 LEU 29 3HD1 LEU 29 9.231 6.825 0.548
240 HD21 LEU 29 3HD2 LEU 29 10.265 8.418 -2.652
241 HD22 LEU 29 1HD2 LEU 29 8.528 8.148 -2.786
242 HD23 LEU 29 2HD2 LEU 29 9.651 7.104 -3.660
243 H TRP 30 H TRP 30 12.240 3.073 -3.696
244 HA TRP 30 HA TRP 30 14.098 1.812 -3.682
245 HB2 TRP 30 2HB TRP 30 15.485 4.232 -2.480
246 HB3 TRP 30 1HB TRP 30 16.318 2.808 -3.065
247 HD1 TRP 30 HD TRP 30 14.954 6.073 -4.133
248 HE1 TRP 30 1HE TRP 30 15.334 6.422 -6.698
249 HE3 TRP 30 3HE TRP 30 16.381 1.348 -5.388
250 HZ2 TRP 30 2HZ TRP 30 16.144 4.878 -8.902
251 HZ3 TRP 30 3HZ TRP 30 16.947 0.856 -7.731
252 HH2 TRP 30 HH TRP 30 16.828 2.590 -9.447
Start of MODEL 18
1 H1 TYR 1 H TYR 1 -11.088 2.252 0.624
2 HA TYR 1 HA TYR 1 -10.946 5.020 0.841
3 HB2 TYR 1 2HB TYR 1 -10.092 3.449 3.285
4 HB3 TYR 1 1HB TYR 1 -9.703 5.137 2.977
5 HD1 TYR 1 2HD TYR 1 -11.480 6.844 3.040
6 HD2 TYR 1 1HD TYR 1 -12.245 2.795 4.083
7 HE1 TYR 1 2HE TYR 1 -13.567 7.525 4.108
8 HE2 TYR 1 1HE TYR 1 -14.340 3.460 5.158
9 HH TYR 1 HH TYR 1 -15.347 5.454 6.138
10 H CYS 2 H CYS 2 -9.009 5.660 0.120
11 HA CYS 2 HA CYS 2 -7.263 3.536 -0.695
12 HB2 CYS 2 2HB CYS 2 -7.567 6.364 -1.517
13 HB3 CYS 2 1HB CYS 2 -6.051 5.527 -1.820
14 H GLN 3 H GLN 3 -5.193 3.432 -0.341
15 HA GLN 3 HA GLN 3 -4.537 4.132 2.280
16 HB2 GLN 3 2HB GLN 3 -3.257 2.348 0.212
17 HB3 GLN 3 1HB GLN 3 -2.393 2.754 1.685
18 HG2 GLN 3 2HG GLN 3 -3.556 0.613 1.836
19 HG3 GLN 3 1HG GLN 3 -4.094 1.758 3.050
20 HE21 GLN 3 1HE2 GLN 3 -6.014 1.170 3.401
21 HE22 GLN 3 2HE2 GLN 3 -7.288 1.180 2.235
22 H LYS 4 H LYS 4 -3.690 6.214 2.461
23 HA LYS 4 HA LYS 4 -1.980 7.256 0.326
24 HB2 LYS 4 2HB LYS 4 -3.359 8.576 2.624
25 HB3 LYS 4 1HB LYS 4 -2.314 9.420 1.485
26 HG2 LYS 4 2HG LYS 4 -3.922 8.724 -0.312
27 HG3 LYS 4 1HG LYS 4 -4.977 8.124 0.974
28 HD2 LYS 4 2HD LYS 4 -3.857 10.861 0.850
29 HD3 LYS 4 1HD LYS 4 -5.453 10.462 0.188
30 HE2 LYS 4 2HE LYS 4 -6.191 9.774 2.433
31 HE3 LYS 4 1HE LYS 4 -4.588 10.092 3.079
32 HZ1 LYS 4 3HZ LYS 4 -6.334 12.167 1.870
33 HZ2 LYS 4 1HZ LYS 4 -4.850 12.402 2.632
34 HZ3 LYS 4 2HZ LYS 4 -6.186 11.882 3.519
35 H TRP 5 H TRP 5 0.018 6.940 0.662
36 HA TRP 5 HA TRP 5 2.045 6.449 1.673
37 HB2 TRP 5 2HB TRP 5 1.665 8.924 2.266
38 HB3 TRP 5 1HB TRP 5 1.084 8.374 3.825
39 HD1 TRP 5 HD TRP 5 4.155 6.440 2.636
40 HE1 TRP 5 1HE TRP 5 6.205 7.278 3.909
41 HE3 TRP 5 3HE TRP 5 2.131 10.580 4.848
42 HZ2 TRP 5 2HZ TRP 5 6.904 9.389 5.616
43 HZ3 TRP 5 3HZ TRP 5 3.566 11.958 6.292
44 HH2 TRP 5 HH TRP 5 5.912 11.367 6.667
45 H MET 6 H MET 6 2.156 6.570 4.770
46 HA MET 6 HA MET 6 1.835 3.789 5.069
47 HB2 MET 6 2HB MET 6 2.384 4.088 7.452
48 HB3 MET 6 1HB MET 6 3.512 4.877 6.365
49 HG2 MET 6 2HG MET 6 2.454 7.034 6.842
50 HG3 MET 6 1HG MET 6 1.324 6.230 7.931
51 HE1 MET 6 3HE MET 6 5.063 7.216 7.275
52 HE2 MET 6 1HE MET 6 5.195 5.467 7.452
53 HE3 MET 6 2HE MET 6 5.877 6.529 8.680
54 H TRP 7 H TRP 7 0.086 2.856 4.873
55 HA TRP 7 HA TRP 7 -2.067 3.231 6.849
56 HB2 TRP 7 2HB TRP 7 -2.391 3.104 3.846
57 HB3 TRP 7 1HB TRP 7 -3.639 2.481 4.906
58 HD1 TRP 7 HD TRP 7 -1.739 5.843 5.216
59 HE1 TRP 7 1HE TRP 7 -3.467 7.737 5.174
60 HE3 TRP 7 3HE TRP 7 -5.949 3.085 4.437
61 HZ2 TRP 7 2HZ TRP 7 -6.230 8.038 4.848
62 HZ3 TRP 7 3HZ TRP 7 -8.100 4.257 4.266
63 HH2 TRP 7 HH TRP 7 -8.225 6.697 4.467
64 H THR 8 H THR 8 -3.557 1.145 6.679
65 HA THR 8 HA THR 8 -1.707 -1.055 6.518
66 HB THR 8 HB THR 8 -3.662 -2.238 7.708
67 HG1 THR 8 1HG THR 8 -5.298 -1.098 8.331
68 HG21 THR 8 3HG2 THR 8 -2.986 -1.330 9.897
69 HG22 THR 8 1HG2 THR 8 -2.243 0.049 9.088
70 HG23 THR 8 2HG2 THR 8 -1.589 -1.570 8.847
71 H CYS 9 H CYS 9 -2.044 -2.814 5.199
72 HA CYS 9 HA CYS 9 -4.213 -2.550 3.270
73 HB2 CYS 9 2HB CYS 9 -2.723 -3.771 1.679
74 HB3 CYS 9 1HB CYS 9 -2.120 -2.188 2.143
75 H ASP 10 H ASP 10 -4.480 -4.867 2.151
76 HA ASP 10 HA ASP 10 -4.475 -6.953 4.192
77 HB2 ASP 10 2HB ASP 10 -6.698 -5.653 4.245
78 HB3 ASP 10 1HB ASP 10 -6.913 -6.177 2.578
79 H SER 11 H SER 11 -5.692 -8.891 2.775
80 HA SER 11 HA SER 11 -3.912 -9.352 0.576
81 HB2 SER 11 2HB SER 11 -6.307 -10.902 1.533
82 HB3 SER 11 1HB SER 11 -5.081 -11.499 0.413
83 HG SER 11 HG SER 11 -4.194 -10.480 2.822
84 H GLU 12 H GLU 12 -7.253 -8.431 1.095
85 HA GLU 12 HA GLU 12 -7.838 -8.468 -1.751
86 HB2 GLU 12 2HB GLU 12 -9.435 -7.394 0.555
87 HB3 GLU 12 1HB GLU 12 -10.030 -7.613 -1.084
88 HG2 GLU 12 2HG GLU 12 -9.732 -10.037 -0.829
89 HG3 GLU 12 1HG GLU 12 -9.163 -9.776 0.821
90 H ARG 13 H ARG 13 -7.694 -6.124 0.872
91 HA ARG 13 HA ARG 13 -7.916 -3.871 -0.828
92 HB2 ARG 13 2HB ARG 13 -8.727 -3.800 1.454
93 HB3 ARG 13 1HB ARG 13 -7.102 -4.064 2.060
94 HG2 ARG 13 2HG ARG 13 -7.499 -1.776 2.337
95 HG3 ARG 13 1HG ARG 13 -6.463 -1.903 0.933
96 HD2 ARG 13 2HD ARG 13 -9.460 -1.602 0.780
97 HD3 ARG 13 1HD ARG 13 -8.345 -0.248 0.753
98 HE ARG 13 HE ARG 13 -8.344 -2.365 -1.301
99 HH11 ARG 13 1HH1 ARG 13 -8.272 1.086 -0.413
100 HH12 ARG 13 2HH1 ARG 13 -8.164 1.599 -2.021
101 HH21 ARG 13 1HH2 ARG 13 -8.103 -1.598 -3.482
102 HH22 ARG 13 2HH2 ARG 13 -8.036 0.071 -3.793
103 H LYS 14 H LYS 14 -6.399 -3.319 -2.119
104 HA LYS 14 HA LYS 14 -3.585 -3.732 -1.476
105 HB2 LYS 14 2HB LYS 14 -4.888 -2.789 -4.041
106 HB3 LYS 14 1HB LYS 14 -3.193 -3.191 -3.830
107 HG2 LYS 14 2HG LYS 14 -5.498 -5.113 -3.595
108 HG3 LYS 14 1HG LYS 14 -4.415 -4.965 -4.978
109 HD2 LYS 14 2HD LYS 14 -2.526 -5.615 -3.552
110 HD3 LYS 14 1HD LYS 14 -3.617 -5.752 -2.173
111 HE2 LYS 14 2HE LYS 14 -3.169 -7.941 -3.123
112 HE3 LYS 14 1HE LYS 14 -4.862 -7.506 -3.330
113 HZ1 LYS 14 3HZ LYS 14 -2.769 -7.235 -5.411
114 HZ2 LYS 14 1HZ LYS 14 -4.402 -6.925 -5.631
115 HZ3 LYS 14 2HZ LYS 14 -3.874 -8.502 -5.345
116 H CYS 15 H CYS 15 -2.142 -1.894 -1.971
117 HA CYS 15 HA CYS 15 -3.252 0.469 -0.766
118 HB2 CYS 15 2HB CYS 15 -0.435 0.085 -1.752
119 HB3 CYS 15 1HB CYS 15 -1.044 1.162 -0.490
120 H CYS 16 H CYS 16 -4.092 2.000 -1.961
121 HA CYS 16 HA CYS 16 -4.144 2.117 -4.737
122 HB2 CYS 16 2HB CYS 16 -4.670 4.263 -2.706
123 HB3 CYS 16 1HB CYS 16 -4.975 4.492 -4.422
124 H GLU 17 H GLU 17 -3.344 3.725 -6.220
125 HA GLU 17 HA GLU 17 -1.778 4.705 -7.379
126 HB2 GLU 17 2HB GLU 17 -0.954 5.464 -4.686
127 HB3 GLU 17 1HB GLU 17 0.157 5.869 -6.010
128 HG2 GLU 17 2HG GLU 17 -1.115 7.827 -5.660
129 HG3 GLU 17 1HG GLU 17 -1.950 7.046 -6.994
130 H GLY 18 H GLY 18 -1.436 2.007 -5.961
131 HA2 GLY 18 2HA GLY 18 -0.050 0.204 -6.353
132 HA3 GLY 18 1HA GLY 18 0.877 1.229 -7.444
133 H MET 19 H MET 19 0.172 1.314 -3.990
134 HA MET 19 HA MET 19 2.999 1.868 -3.527
135 HB2 MET 19 2HB MET 19 0.643 2.049 -1.631
136 HB3 MET 19 1HB MET 19 2.304 2.399 -1.181
137 HG2 MET 19 2HG MET 19 2.332 4.202 -2.879
138 HG3 MET 19 1HG MET 19 0.630 3.879 -3.197
139 HE1 MET 19 3HE MET 19 1.626 6.756 -2.520
140 HE2 MET 19 1HE MET 19 0.452 7.280 -1.312
141 HE3 MET 19 2HE MET 19 -0.081 6.368 -2.721
142 H VAL 20 H VAL 20 3.995 0.794 -1.600
143 HA VAL 20 HA VAL 20 3.835 -2.018 -2.146
144 HB VAL 20 HB VAL 20 5.584 -0.563 -0.163
145 HG11 VAL 20 1HG1 VAL 20 5.452 -2.944 0.297
146 HG12 VAL 20 2HG1 VAL 20 7.052 -2.535 -0.325
147 HG13 VAL 20 3HG1 VAL 20 5.868 -3.311 -1.377
148 HG21 VAL 20 3HG2 VAL 20 6.178 -1.329 -3.025
149 HG22 VAL 20 1HG2 VAL 20 7.346 -0.660 -1.886
150 HG23 VAL 20 2HG2 VAL 20 5.967 0.308 -2.406
151 H CYS 21 H CYS 21 2.473 -3.254 -1.188
152 HA CYS 21 HA CYS 21 1.272 -2.640 1.347
153 HB2 CYS 21 2HB CYS 21 -0.078 -3.749 -0.358
154 HB3 CYS 21 1HB CYS 21 1.071 -5.075 -0.452
155 H ARG 22 H ARG 22 2.029 -3.212 3.235
156 HA ARG 22 HA ARG 22 3.709 -5.509 3.733
157 HB2 ARG 22 2HB ARG 22 5.016 -3.289 2.819
158 HB3 ARG 22 1HB ARG 22 4.868 -2.880 4.520
159 HG2 ARG 22 2HG ARG 22 6.999 -3.909 4.145
160 HG3 ARG 22 1HG ARG 22 5.998 -5.031 5.074
161 HD2 ARG 22 2HD ARG 22 5.441 -6.221 2.971
162 HD3 ARG 22 1HD ARG 22 6.485 -5.109 2.094
163 HE ARG 22 HE ARG 22 7.853 -6.378 4.212
164 HH11 ARG 22 1HH1 ARG 22 6.733 -6.894 0.887
165 HH12 ARG 22 2HH1 ARG 22 7.838 -8.135 0.544
166 HH21 ARG 22 1HH2 ARG 22 9.368 -8.079 3.748
167 HH22 ARG 22 2HH2 ARG 22 9.386 -8.826 2.212
168 H LEU 23 H LEU 23 4.603 -4.068 6.200
169 HA LEU 23 HA LEU 23 2.365 -4.443 7.878
170 HB2 LEU 23 2HB LEU 23 4.777 -2.653 8.330
171 HB3 LEU 23 1HB LEU 23 3.549 -2.921 9.537
172 HG LEU 23 HG LEU 23 4.188 -5.356 9.530
173 HD11 LEU 23 1HD1 LEU 23 6.359 -5.977 8.634
174 HD12 LEU 23 2HD1 LEU 23 6.513 -4.379 7.899
175 HD13 LEU 23 3HD1 LEU 23 5.246 -5.480 7.359
176 HD21 LEU 23 3HD2 LEU 23 4.952 -3.843 11.258
177 HD22 LEU 23 1HD2 LEU 23 6.320 -3.359 10.254
178 HD23 LEU 23 2HD2 LEU 23 6.210 -5.011 10.858
179 H TRP 24 H TRP 24 3.702 -1.609 6.383
180 HA TRP 24 HA TRP 24 1.066 -0.382 6.389
181 HB2 TRP 24 2HB TRP 24 3.700 0.895 7.093
182 HB3 TRP 24 1HB TRP 24 2.404 1.864 6.423
183 HD1 TRP 24 HD TRP 24 0.170 2.075 7.949
184 HE1 TRP 24 1HE TRP 24 -0.110 1.988 10.510
185 HE3 TRP 24 3HE TRP 24 4.575 -0.105 9.088
186 HZ2 TRP 24 2HZ TRP 24 1.412 1.084 12.749
187 HZ3 TRP 24 3HZ TRP 24 5.130 -0.562 11.467
188 HH2 TRP 24 HH TRP 24 3.569 0.032 13.245
189 H CYS 25 H CYS 25 0.571 0.553 4.503
190 HA CYS 25 HA CYS 25 2.077 -0.026 2.136
191 HB2 CYS 25 2HB CYS 25 -0.122 2.004 2.572
192 HB3 CYS 25 1HB CYS 25 0.452 1.404 1.025
193 H LYS 26 H LYS 26 3.645 1.223 1.269
194 HA LYS 26 HA LYS 26 3.604 4.047 1.868
195 HB2 LYS 26 2HB LYS 26 6.107 2.383 2.189
196 HB3 LYS 26 1HB LYS 26 6.083 4.138 2.159
197 HG2 LYS 26 2HG LYS 26 4.475 3.864 4.202
198 HG3 LYS 26 1HG LYS 26 5.170 2.248 4.293
199 HD2 LYS 26 2HD LYS 26 6.637 4.884 4.450
200 HD3 LYS 26 1HD LYS 26 6.412 3.715 5.745
201 HE2 LYS 26 2HE LYS 26 7.948 3.251 3.208
202 HE3 LYS 26 1HE LYS 26 8.678 3.662 4.756
203 HZ1 LYS 26 3HZ LYS 26 7.127 1.188 4.163
204 HZ2 LYS 26 1HZ LYS 26 7.799 1.564 5.663
205 HZ3 LYS 26 2HZ LYS 26 8.772 1.264 4.322
206 H LYS 27 H LYS 27 4.981 5.242 0.393
207 HA LYS 27 HA LYS 27 4.820 4.010 -2.238
208 HB2 LYS 27 2HB LYS 27 4.997 6.363 -3.056
209 HB3 LYS 27 1HB LYS 27 3.590 6.067 -2.048
210 HG2 LYS 27 2HG LYS 27 4.761 7.101 -0.147
211 HG3 LYS 27 1HG LYS 27 6.137 7.437 -1.203
212 HD2 LYS 27 2HD LYS 27 4.714 8.807 -2.629
213 HD3 LYS 27 1HD LYS 27 3.326 8.448 -1.603
214 HE2 LYS 27 2HE LYS 27 4.426 9.543 0.284
215 HE3 LYS 27 1HE LYS 27 5.827 9.886 -0.732
216 HZ1 LYS 27 3HZ LYS 27 4.457 11.270 -2.126
217 HZ2 LYS 27 1HZ LYS 27 4.321 11.779 -0.518
218 HZ3 LYS 27 2HZ LYS 27 3.084 10.885 -1.235
219 H LYS 28 H LYS 28 6.655 5.169 -3.711
220 HA LYS 28 HA LYS 28 9.087 4.292 -2.391
221 HB2 LYS 28 2HB LYS 28 8.585 4.843 -5.310
222 HB3 LYS 28 1HB LYS 28 10.033 4.126 -4.599
223 HG2 LYS 28 2HG LYS 28 8.789 2.185 -3.880
224 HG3 LYS 28 1HG LYS 28 7.281 2.906 -4.434
225 HD2 LYS 28 2HD LYS 28 8.124 2.846 -6.741
226 HD3 LYS 28 1HD LYS 28 9.613 2.090 -6.166
227 HE2 LYS 28 2HE LYS 28 8.294 0.205 -5.284
228 HE3 LYS 28 1HE LYS 28 6.827 0.964 -5.884
229 HZ1 LYS 28 3HZ LYS 28 9.087 0.027 -7.572
230 HZ2 LYS 28 1HZ LYS 28 7.666 0.737 -8.133
231 HZ3 LYS 28 2HZ LYS 28 7.605 -0.750 -7.369
232 H LEU 29 H LEU 29 9.347 6.051 -1.186
233 HA LEU 29 HA LEU 29 9.939 8.617 -2.498
234 HB2 LEU 29 2HB LEU 29 8.322 8.425 -0.526
235 HB3 LEU 29 1HB LEU 29 9.690 8.001 0.467
236 HG LEU 29 HG LEU 29 9.459 10.673 -0.942
237 HD11 LEU 29 1HD1 LEU 29 8.688 11.561 1.198
238 HD12 LEU 29 2HD1 LEU 29 8.613 9.921 1.847
239 HD13 LEU 29 3HD1 LEU 29 7.551 10.396 0.523
240 HD21 LEU 29 3HD2 LEU 29 11.062 11.402 0.753
241 HD22 LEU 29 1HD2 LEU 29 11.713 10.058 -0.185
242 HD23 LEU 29 2HD2 LEU 29 11.089 9.776 1.441
243 H TRP 30 H TRP 30 11.246 6.083 -0.508
244 HA TRP 30 HA TRP 30 13.934 6.924 -1.252
245 HB2 TRP 30 2HB TRP 30 14.776 6.130 0.995
246 HB3 TRP 30 1HB TRP 30 13.775 7.564 1.074
247 HD1 TRP 30 HD TRP 30 11.696 7.474 2.534
248 HE1 TRP 30 1HE TRP 30 10.657 5.731 4.140
249 HE3 TRP 30 3HE TRP 30 14.481 3.399 1.229
250 HZ2 TRP 30 2HZ TRP 30 10.989 2.999 4.758
251 HZ3 TRP 30 3HZ TRP 30 14.055 1.261 2.376
252 HH2 TRP 30 HH TRP 30 12.351 1.075 4.097
Start of MODEL 19
1 H1 TYR 1 H TYR 1 -10.053 2.953 2.885
2 HA TYR 1 HA TYR 1 -11.993 2.941 1.179
3 HB2 TYR 1 2HB TYR 1 -11.124 5.843 1.133
4 HB3 TYR 1 1HB TYR 1 -12.390 5.104 0.169
5 HD1 TYR 1 2HD TYR 1 -14.571 4.550 1.219
6 HD2 TYR 1 1HD TYR 1 -11.514 6.574 3.371
7 HE1 TYR 1 2HE TYR 1 -16.214 5.252 2.891
8 HE2 TYR 1 1HE TYR 1 -13.142 7.282 5.044
9 HH TYR 1 HH TYR 1 -15.553 7.644 5.205
10 H CYS 2 H CYS 2 -9.182 4.959 1.489
11 HA CYS 2 HA CYS 2 -7.757 3.488 -0.542
12 HB2 CYS 2 2HB CYS 2 -8.754 5.274 -1.813
13 HB3 CYS 2 1HB CYS 2 -8.261 6.458 -0.595
14 H GLN 3 H GLN 3 -5.626 3.780 -0.310
15 HA GLN 3 HA GLN 3 -4.834 4.271 2.460
16 HB2 GLN 3 2HB GLN 3 -3.463 2.864 0.150
17 HB3 GLN 3 1HB GLN 3 -2.654 3.231 1.663
18 HG2 GLN 3 2HG GLN 3 -3.604 0.860 1.274
19 HG3 GLN 3 1HG GLN 3 -3.819 1.573 2.848
20 HE21 GLN 3 1HE2 GLN 3 -5.827 2.084 3.497
21 HE22 GLN 3 2HE2 GLN 3 -7.276 1.574 2.731
22 H LYS 4 H LYS 4 -4.306 6.359 2.849
23 HA LYS 4 HA LYS 4 -2.901 7.896 0.774
24 HB2 LYS 4 2HB LYS 4 -3.948 8.684 3.508
25 HB3 LYS 4 1HB LYS 4 -3.048 9.759 2.464
26 HG2 LYS 4 2HG LYS 4 -5.363 10.307 2.366
27 HG3 LYS 4 1HG LYS 4 -4.892 9.617 0.817
28 HD2 LYS 4 2HD LYS 4 -5.952 7.530 1.400
29 HD3 LYS 4 1HD LYS 4 -6.289 8.118 3.026
30 HE2 LYS 4 2HE LYS 4 -8.265 8.218 1.595
31 HE3 LYS 4 1HE LYS 4 -7.763 9.813 2.143
32 HZ1 LYS 4 3HZ LYS 4 -8.378 9.800 -0.213
33 HZ2 LYS 4 1HZ LYS 4 -7.161 8.690 -0.561
34 HZ3 LYS 4 2HZ LYS 4 -6.766 10.219 -0.012
35 H TRP 5 H TRP 5 -0.825 7.606 0.724
36 HA TRP 5 HA TRP 5 1.256 6.841 1.312
37 HB2 TRP 5 2HB TRP 5 1.202 9.221 2.190
38 HB3 TRP 5 1HB TRP 5 0.766 8.573 3.763
39 HD1 TRP 5 HD TRP 5 3.440 6.782 1.679
40 HE1 TRP 5 1HE TRP 5 5.713 7.042 2.853
41 HE3 TRP 5 3HE TRP 5 2.103 10.098 5.302
42 HZ2 TRP 5 2HZ TRP 5 6.795 8.450 5.016
43 HZ3 TRP 5 3HZ TRP 5 3.827 10.855 6.899
44 HH2 TRP 5 HH TRP 5 6.119 10.047 6.752
45 H MET 6 H MET 6 1.819 6.667 4.378
46 HA MET 6 HA MET 6 1.651 3.863 4.417
47 HB2 MET 6 2HB MET 6 2.535 4.004 6.732
48 HB3 MET 6 1HB MET 6 3.482 4.884 5.545
49 HG2 MET 6 2HG MET 6 2.484 6.973 6.322
50 HG3 MET 6 1HG MET 6 1.528 6.071 7.500
51 HE1 MET 6 3HE MET 6 3.386 8.517 8.279
52 HE2 MET 6 1HE MET 6 4.155 7.891 9.737
53 HE3 MET 6 2HE MET 6 2.440 7.593 9.447
54 H TRP 7 H TRP 7 -0.129 2.909 4.391
55 HA TRP 7 HA TRP 7 -1.874 3.022 6.758
56 HB2 TRP 7 2HB TRP 7 -2.763 3.055 3.866
57 HB3 TRP 7 1HB TRP 7 -3.791 2.356 5.102
58 HD1 TRP 7 HD TRP 7 -1.879 5.703 5.340
59 HE1 TRP 7 1HE TRP 7 -3.582 7.608 5.616
60 HE3 TRP 7 3HE TRP 7 -6.154 3.003 4.936
61 HZ2 TRP 7 2HZ TRP 7 -6.365 7.921 5.666
62 HZ3 TRP 7 3HZ TRP 7 -8.324 4.183 5.102
63 HH2 TRP 7 HH TRP 7 -8.406 6.603 5.460
64 H THR 8 H THR 8 -3.229 0.899 6.808
65 HA THR 8 HA THR 8 -1.339 -1.201 6.368
66 HB THR 8 HB THR 8 -3.124 -2.518 7.600
67 HG1 THR 8 1HG THR 8 -4.729 -1.403 8.560
68 HG21 THR 8 3HG2 THR 8 -1.097 -1.664 8.675
69 HG22 THR 8 1HG2 THR 8 -2.480 -1.564 9.764
70 HG23 THR 8 2HG2 THR 8 -1.891 -0.114 8.949
71 H CYS 9 H CYS 9 -1.633 -2.972 5.060
72 HA CYS 9 HA CYS 9 -3.821 -2.757 3.149
73 HB2 CYS 9 2HB CYS 9 -2.350 -4.141 1.684
74 HB3 CYS 9 1HB CYS 9 -1.702 -2.552 2.074
75 H ASP 10 H ASP 10 -4.263 -4.998 2.153
76 HA ASP 10 HA ASP 10 -4.039 -7.252 3.939
77 HB2 ASP 10 2HB ASP 10 -6.733 -6.168 2.965
78 HB3 ASP 10 1HB ASP 10 -6.475 -7.771 3.617
79 H SER 11 H SER 11 -5.636 -8.964 2.424
80 HA SER 11 HA SER 11 -4.096 -9.153 0.044
81 HB2 SER 11 2HB SER 11 -4.813 -11.172 1.240
82 HB3 SER 11 1HB SER 11 -6.503 -10.745 0.996
83 HG SER 11 HG SER 11 -6.404 -11.318 -0.995
84 H GLU 12 H GLU 12 -7.485 -8.413 0.769
85 HA GLU 12 HA GLU 12 -7.963 -7.721 -2.003
86 HB2 GLU 12 2HB GLU 12 -9.790 -7.617 0.399
87 HB3 GLU 12 1HB GLU 12 -10.271 -7.058 -1.191
88 HG2 GLU 12 2HG GLU 12 -11.166 -9.233 -0.839
89 HG3 GLU 12 1HG GLU 12 -9.890 -9.357 -2.043
90 H ARG 13 H ARG 13 -7.236 -6.169 0.963
91 HA ARG 13 HA ARG 13 -7.872 -3.540 -0.021
92 HB2 ARG 13 2HB ARG 13 -7.943 -4.013 2.418
93 HB3 ARG 13 1HB ARG 13 -6.206 -4.311 2.378
94 HG2 ARG 13 2HG ARG 13 -6.090 -2.154 2.991
95 HG3 ARG 13 1HG ARG 13 -6.240 -1.904 1.267
96 HD2 ARG 13 2HD ARG 13 -8.450 -1.747 3.303
97 HD3 ARG 13 1HD ARG 13 -7.738 -0.423 2.394
98 HE ARG 13 HE ARG 13 -9.435 -2.548 1.299
99 HH11 ARG 13 1HH1 ARG 13 -7.899 0.562 0.736
100 HH12 ARG 13 2HH1 ARG 13 -9.183 1.205 -0.195
101 HH21 ARG 13 1HH2 ARG 13 -11.153 -1.737 -0.046
102 HH22 ARG 13 2HH2 ARG 13 -11.102 -0.149 -0.668
103 H LYS 14 H LYS 14 -6.738 -3.089 -1.724
104 HA LYS 14 HA LYS 14 -3.849 -3.459 -1.701
105 HB2 LYS 14 2HB LYS 14 -4.026 -2.835 -4.140
106 HB3 LYS 14 1HB LYS 14 -4.794 -4.350 -3.696
107 HG2 LYS 14 2HG LYS 14 -6.979 -3.250 -3.693
108 HG3 LYS 14 1HG LYS 14 -6.208 -1.722 -4.118
109 HD2 LYS 14 2HD LYS 14 -6.048 -4.218 -5.783
110 HD3 LYS 14 1HD LYS 14 -7.251 -2.956 -6.040
111 HE2 LYS 14 2HE LYS 14 -4.257 -2.623 -6.177
112 HE3 LYS 14 1HE LYS 14 -5.338 -2.716 -7.557
113 HZ1 LYS 14 3HZ LYS 14 -4.825 -0.409 -7.079
114 HZ2 LYS 14 1HZ LYS 14 -5.384 -0.562 -5.491
115 HZ3 LYS 14 2HZ LYS 14 -6.440 -0.712 -6.785
116 H CYS 15 H CYS 15 -2.482 -1.736 -1.976
117 HA CYS 15 HA CYS 15 -3.635 0.695 -0.952
118 HB2 CYS 15 2HB CYS 15 -0.762 -0.147 -1.253
119 HB3 CYS 15 1HB CYS 15 -1.322 1.296 -0.405
120 H CYS 16 H CYS 16 -3.914 2.430 -1.992
121 HA CYS 16 HA CYS 16 -4.004 2.731 -4.695
122 HB2 CYS 16 2HB CYS 16 -3.603 4.905 -2.652
123 HB3 CYS 16 1HB CYS 16 -4.358 5.072 -4.233
124 H GLU 17 H GLU 17 -2.809 4.031 -6.150
125 HA GLU 17 HA GLU 17 -1.040 4.774 -7.271
126 HB2 GLU 17 2HB GLU 17 -0.159 5.192 -4.522
127 HB3 GLU 17 1HB GLU 17 0.931 5.629 -5.854
128 HG2 GLU 17 2HG GLU 17 -1.822 6.710 -5.188
129 HG3 GLU 17 1HG GLU 17 -0.295 7.581 -5.058
130 H GLY 18 H GLY 18 -1.107 1.977 -5.913
131 HA2 GLY 18 2HA GLY 18 0.112 0.045 -6.297
132 HA3 GLY 18 1HA GLY 18 1.172 0.987 -7.338
133 H MET 19 H MET 19 0.335 1.034 -3.932
134 HA MET 19 HA MET 19 3.156 1.408 -3.264
135 HB2 MET 19 2HB MET 19 0.671 1.466 -1.543
136 HB3 MET 19 1HB MET 19 2.293 1.729 -0.928
137 HG2 MET 19 2HG MET 19 2.488 3.709 -2.368
138 HG3 MET 19 1HG MET 19 0.849 3.424 -2.946
139 HE1 MET 19 3HE MET 19 1.755 6.205 -1.776
140 HE2 MET 19 1HE MET 19 0.376 6.595 -0.748
141 HE3 MET 19 2HE MET 19 0.115 5.855 -2.326
142 H VAL 20 H VAL 20 4.174 0.054 -1.692
143 HA VAL 20 HA VAL 20 3.660 -2.713 -2.294
144 HB VAL 20 HB VAL 20 5.742 -1.522 -0.435
145 HG11 VAL 20 1HG1 VAL 20 6.970 -3.615 -0.775
146 HG12 VAL 20 2HG1 VAL 20 5.643 -4.231 -1.760
147 HG13 VAL 20 3HG1 VAL 20 5.389 -3.905 -0.045
148 HG21 VAL 20 3HG2 VAL 20 7.301 -1.741 -2.323
149 HG22 VAL 20 1HG2 VAL 20 5.991 -0.614 -2.678
150 HG23 VAL 20 2HG2 VAL 20 5.961 -2.243 -3.354
151 H CYS 21 H CYS 21 2.735 -4.198 -1.014
152 HA CYS 21 HA CYS 21 1.362 -3.329 1.363
153 HB2 CYS 21 2HB CYS 21 0.439 -4.995 -0.356
154 HB3 CYS 21 1HB CYS 21 1.695 -6.066 0.280
155 H ARG 22 H ARG 22 2.166 -3.474 3.325
156 HA ARG 22 HA ARG 22 4.093 -5.432 4.157
157 HB2 ARG 22 2HB ARG 22 4.516 -2.590 3.652
158 HB3 ARG 22 1HB ARG 22 5.315 -3.211 5.102
159 HG2 ARG 22 2HG ARG 22 5.661 -3.986 2.217
160 HG3 ARG 22 1HG ARG 22 6.846 -3.113 3.198
161 HD2 ARG 22 2HD ARG 22 6.949 -5.163 4.661
162 HD3 ARG 22 1HD ARG 22 5.957 -5.985 3.459
163 HE ARG 22 HE ARG 22 8.309 -4.761 2.387
164 HH11 ARG 22 1HH1 ARG 22 6.960 -7.709 3.766
165 HH12 ARG 22 2HH1 ARG 22 8.235 -8.721 3.270
166 HH21 ARG 22 1HH2 ARG 22 10.104 -6.155 1.695
167 HH22 ARG 22 2HH2 ARG 22 10.072 -7.799 2.078
168 H LEU 23 H LEU 23 4.654 -3.900 6.505
169 HA LEU 23 HA LEU 23 2.305 -4.139 8.064
170 HB2 LEU 23 2HB LEU 23 4.728 -2.389 8.549
171 HB3 LEU 23 1HB LEU 23 3.482 -2.707 9.734
172 HG LEU 23 HG LEU 23 5.358 -4.766 8.568
173 HD11 LEU 23 1HD1 LEU 23 5.269 -3.470 11.283
174 HD12 LEU 23 2HD1 LEU 23 6.485 -3.195 10.036
175 HD13 LEU 23 3HD1 LEU 23 6.342 -4.780 10.796
176 HD21 LEU 23 3HD2 LEU 23 4.442 -6.232 10.325
177 HD22 LEU 23 1HD2 LEU 23 3.205 -5.749 9.163
178 HD23 LEU 23 2HD2 LEU 23 3.277 -4.980 10.746
179 H TRP 24 H TRP 24 3.805 -1.455 6.382
180 HA TRP 24 HA TRP 24 1.218 -0.182 6.151
181 HB2 TRP 24 2HB TRP 24 3.774 1.131 7.045
182 HB3 TRP 24 1HB TRP 24 2.534 2.054 6.221
183 HD1 TRP 24 HD TRP 24 0.183 2.303 7.509
184 HE1 TRP 24 1HE TRP 24 -0.356 2.291 10.033
185 HE3 TRP 24 3HE TRP 24 4.455 0.198 9.146
186 HZ2 TRP 24 2HZ TRP 24 0.941 1.491 12.437
187 HZ3 TRP 24 3HZ TRP 24 4.783 -0.168 11.586
188 HH2 TRP 24 HH TRP 24 3.057 0.472 13.179
189 H CYS 25 H CYS 25 0.838 0.508 4.182
190 HA CYS 25 HA CYS 25 2.762 -0.025 2.112
191 HB2 CYS 25 2HB CYS 25 0.028 1.232 2.036
192 HB3 CYS 25 1HB CYS 25 1.022 0.918 0.621
193 H LYS 26 H LYS 26 4.208 1.306 1.562
194 HA LYS 26 HA LYS 26 3.702 4.182 1.724
195 HB2 LYS 26 2HB LYS 26 6.269 2.632 2.127
196 HB3 LYS 26 1HB LYS 26 6.205 4.370 1.884
197 HG2 LYS 26 2HG LYS 26 5.022 4.684 3.918
198 HG3 LYS 26 1HG LYS 26 4.796 2.955 4.123
199 HD2 LYS 26 2HD LYS 26 6.600 3.837 5.567
200 HD3 LYS 26 1HD LYS 26 7.177 2.634 4.416
201 HE2 LYS 26 2HE LYS 26 8.046 4.415 2.974
202 HE3 LYS 26 1HE LYS 26 7.424 5.629 4.092
203 HZ1 LYS 26 3HZ LYS 26 9.425 3.577 4.841
204 HZ2 LYS 26 1HZ LYS 26 8.934 4.896 5.748
205 HZ3 LYS 26 2HZ LYS 26 9.844 5.127 4.345
206 H LYS 27 H LYS 27 5.049 5.293 0.006
207 HA LYS 27 HA LYS 27 4.447 3.958 -2.432
208 HB2 LYS 27 2HB LYS 27 5.267 5.965 -3.559
209 HB3 LYS 27 1HB LYS 27 4.120 6.348 -2.284
210 HG2 LYS 27 2HG LYS 27 5.885 7.103 -0.842
211 HG3 LYS 27 1HG LYS 27 7.112 6.550 -1.983
212 HD2 LYS 27 2HD LYS 27 6.827 8.951 -2.179
213 HD3 LYS 27 1HD LYS 27 6.263 8.150 -3.643
214 HE2 LYS 27 2HE LYS 27 3.933 8.306 -2.757
215 HE3 LYS 27 1HE LYS 27 4.562 9.230 -1.399
216 HZ1 LYS 27 3HZ LYS 27 5.365 10.887 -2.975
217 HZ2 LYS 27 1HZ LYS 27 3.707 10.689 -3.101
218 HZ3 LYS 27 2HZ LYS 27 4.706 10.014 -4.258
219 H LYS 28 H LYS 28 5.956 3.712 -4.151
220 HA LYS 28 HA LYS 28 8.323 2.354 -3.240
221 HB2 LYS 28 2HB LYS 28 6.907 1.457 -5.023
222 HB3 LYS 28 1HB LYS 28 7.257 2.882 -6.000
223 HG2 LYS 28 2HG LYS 28 9.608 2.223 -6.087
224 HG3 LYS 28 1HG LYS 28 9.239 0.791 -5.128
225 HD2 LYS 28 2HD LYS 28 7.681 0.042 -6.869
226 HD3 LYS 28 1HD LYS 28 8.097 1.459 -7.834
227 HE2 LYS 28 2HE LYS 28 10.435 0.694 -7.903
228 HE3 LYS 28 1HE LYS 28 9.977 -0.738 -6.984
229 HZ1 LYS 28 3HZ LYS 28 10.069 -1.212 -9.344
230 HZ2 LYS 28 1HZ LYS 28 8.937 -0.016 -9.668
231 HZ3 LYS 28 2HZ LYS 28 8.500 -1.374 -8.790
232 H LEU 29 H LEU 29 10.238 3.221 -3.173
233 HA LEU 29 HA LEU 29 10.585 5.898 -4.304
234 HB2 LEU 29 2HB LEU 29 12.014 4.585 -2.018
235 HB3 LEU 29 1HB LEU 29 12.677 5.982 -2.826
236 HG LEU 29 HG LEU 29 10.529 7.193 -2.202
237 HD11 LEU 29 1HD1 LEU 29 9.306 6.364 -0.294
238 HD12 LEU 29 2HD1 LEU 29 10.240 4.870 -0.337
239 HD13 LEU 29 3HD1 LEU 29 9.161 5.271 -1.674
240 HD21 LEU 29 3HD2 LEU 29 11.327 7.659 0.058
241 HD22 LEU 29 1HD2 LEU 29 12.641 7.623 -1.117
242 HD23 LEU 29 2HD2 LEU 29 12.387 6.255 -0.035
243 H TRP 30 H TRP 30 12.296 2.825 -4.067
244 HA TRP 30 HA TRP 30 14.254 3.848 -5.977
245 HB2 TRP 30 2HB TRP 30 15.141 2.662 -4.025
246 HB3 TRP 30 1HB TRP 30 14.193 1.240 -4.443
247 HD1 TRP 30 HD TRP 30 15.440 -0.529 -5.791
248 HE1 TRP 30 1HE TRP 30 17.612 -0.596 -7.217
249 HE3 TRP 30 3HE TRP 30 16.670 4.422 -5.654
250 HZ2 TRP 30 2HZ TRP 30 19.557 1.211 -8.145
251 HZ3 TRP 30 3HZ TRP 30 18.690 5.174 -6.833
252 HH2 TRP 30 HH TRP 30 20.102 3.598 -8.051
Start of MODEL 20
1 H1 TYR 1 H TYR 1 -9.179 4.763 3.400
2 HA TYR 1 HA TYR 1 -10.410 2.423 3.287
3 HB2 TYR 1 2HB TYR 1 -11.743 4.218 1.240
4 HB3 TYR 1 1HB TYR 1 -12.011 2.488 1.443
5 HD1 TYR 1 1HD TYR 1 -12.922 1.716 3.720
6 HD2 TYR 1 2HD TYR 1 -13.088 5.739 2.384
7 HE1 TYR 1 1HE TYR 1 -14.696 2.169 5.337
8 HE2 TYR 1 2HE TYR 1 -14.866 6.210 3.998
9 HH TYR 1 HH TYR 1 -16.600 4.927 5.236
10 H CYS 2 H CYS 2 -9.209 5.056 1.448
11 HA CYS 2 HA CYS 2 -7.652 3.284 -0.256
12 HB2 CYS 2 2HB CYS 2 -8.724 5.107 -1.379
13 HB3 CYS 2 1HB CYS 2 -8.064 6.260 -0.206
14 H GLN 3 H GLN 3 -5.485 3.434 -0.221
15 HA GLN 3 HA GLN 3 -4.471 3.930 2.455
16 HB2 GLN 3 2HB GLN 3 -3.175 2.491 0.118
17 HB3 GLN 3 1HB GLN 3 -2.372 2.810 1.642
18 HG2 GLN 3 2HG GLN 3 -3.225 0.484 1.430
19 HG3 GLN 3 1HG GLN 3 -3.838 1.349 2.829
20 HE21 GLN 3 1HE2 GLN 3 -5.968 1.753 2.991
21 HE22 GLN 3 2HE2 GLN 3 -7.157 1.180 1.886
22 H LYS 4 H LYS 4 -4.283 6.063 2.544
23 HA LYS 4 HA LYS 4 -2.717 7.475 0.538
24 HB2 LYS 4 2HB LYS 4 -4.250 8.353 2.957
25 HB3 LYS 4 1HB LYS 4 -3.327 9.456 1.937
26 HG2 LYS 4 2HG LYS 4 -4.757 8.880 0.042
27 HG3 LYS 4 1HG LYS 4 -5.655 7.759 1.075
28 HD2 LYS 4 2HD LYS 4 -5.274 10.608 1.735
29 HD3 LYS 4 1HD LYS 4 -6.639 10.082 0.729
30 HE2 LYS 4 2HE LYS 4 -7.383 8.600 2.568
31 HE3 LYS 4 1HE LYS 4 -6.026 9.122 3.555
32 HZ1 LYS 4 3HZ LYS 4 -8.211 10.893 2.592
33 HZ2 LYS 4 1HZ LYS 4 -6.935 11.336 3.599
34 HZ3 LYS 4 2HZ LYS 4 -8.079 10.243 4.146
35 H TRP 5 H TRP 5 -0.746 7.487 0.778
36 HA TRP 5 HA TRP 5 1.364 6.927 1.575
37 HB2 TRP 5 2HB TRP 5 0.574 9.255 2.732
38 HB3 TRP 5 1HB TRP 5 0.894 8.287 4.169
39 HD1 TRP 5 HD TRP 5 3.542 6.899 3.804
40 HE1 TRP 5 1HE TRP 5 5.713 8.116 3.181
41 HE3 TRP 5 3HE TRP 5 1.535 11.143 1.787
42 HZ2 TRP 5 2HZ TRP 5 6.477 10.557 1.982
43 HZ3 TRP 5 3HZ TRP 5 3.049 12.869 0.925
44 HH2 TRP 5 HH TRP 5 5.462 12.584 1.023
45 H MET 6 H MET 6 1.742 6.803 4.650
46 HA MET 6 HA MET 6 1.705 3.989 4.779
47 HB2 MET 6 2HB MET 6 2.419 4.186 7.124
48 HB3 MET 6 1HB MET 6 3.353 5.222 6.062
49 HG2 MET 6 2HG MET 6 2.029 7.143 6.820
50 HG3 MET 6 1HG MET 6 1.121 6.080 7.887
51 HE1 MET 6 3HE MET 6 2.580 8.720 8.878
52 HE2 MET 6 1HE MET 6 3.303 8.151 10.383
53 HE3 MET 6 2HE MET 6 1.672 7.646 9.943
54 H TRP 7 H TRP 7 0.028 2.883 4.652
55 HA TRP 7 HA TRP 7 -2.009 2.992 6.766
56 HB2 TRP 7 2HB TRP 7 -2.483 2.991 3.800
57 HB3 TRP 7 1HB TRP 7 -3.612 2.169 4.859
58 HD1 TRP 7 HD TRP 7 -2.003 5.684 5.125
59 HE1 TRP 7 1HE TRP 7 -3.881 7.388 5.422
60 HE3 TRP 7 3HE TRP 7 -5.927 2.521 4.858
61 HZ2 TRP 7 2HZ TRP 7 -6.688 7.396 5.519
62 HZ3 TRP 7 3HZ TRP 7 -8.217 3.448 5.058
63 HH2 TRP 7 HH TRP 7 -8.555 5.865 5.377
64 H THR 8 H THR 8 -3.352 0.836 6.558
65 HA THR 8 HA THR 8 -1.369 -1.252 6.348
66 HB THR 8 HB THR 8 -3.230 -2.592 7.443
67 HG1 THR 8 1HG THR 8 -4.338 -0.062 8.043
68 HG21 THR 8 3HG2 THR 8 -2.848 -1.592 9.664
69 HG22 THR 8 1HG2 THR 8 -2.219 -0.137 8.891
70 HG23 THR 8 2HG2 THR 8 -1.355 -1.665 8.727
71 H CYS 9 H CYS 9 -1.951 -3.253 5.227
72 HA CYS 9 HA CYS 9 -3.877 -2.808 3.078
73 HB2 CYS 9 2HB CYS 9 -2.287 -4.198 1.678
74 HB3 CYS 9 1HB CYS 9 -1.756 -2.563 2.062
75 H ASP 10 H ASP 10 -4.742 -4.781 2.189
76 HA ASP 10 HA ASP 10 -4.573 -7.022 4.030
77 HB2 ASP 10 2HB ASP 10 -7.142 -5.791 2.988
78 HB3 ASP 10 1HB ASP 10 -7.049 -7.431 3.601
79 H SER 11 H SER 11 -6.081 -8.829 2.813
80 HA SER 11 HA SER 11 -4.582 -9.568 0.583
81 HB2 SER 11 2HB SER 11 -6.473 -11.285 0.390
82 HB3 SER 11 1HB SER 11 -5.569 -11.254 1.904
83 HG SER 11 HG SER 11 -7.902 -11.333 2.050
84 H GLU 12 H GLU 12 -7.846 -8.278 0.904
85 HA GLU 12 HA GLU 12 -8.123 -7.997 -1.960
86 HB2 GLU 12 2HB GLU 12 -9.960 -7.343 0.323
87 HB3 GLU 12 1HB GLU 12 -10.389 -7.145 -1.365
88 HG2 GLU 12 2HG GLU 12 -9.679 -9.741 0.006
89 HG3 GLU 12 1HG GLU 12 -11.298 -9.218 -0.458
90 H ARG 13 H ARG 13 -7.330 -6.096 0.785
91 HA ARG 13 HA ARG 13 -7.917 -3.592 -0.533
92 HB2 ARG 13 2HB ARG 13 -8.250 -3.925 1.930
93 HB3 ARG 13 1HB ARG 13 -6.506 -4.042 2.087
94 HG2 ARG 13 2HG ARG 13 -7.180 -1.827 2.689
95 HG3 ARG 13 1HG ARG 13 -6.292 -1.774 1.171
96 HD2 ARG 13 2HD ARG 13 -8.299 -0.331 1.172
97 HD3 ARG 13 1HD ARG 13 -8.335 -1.558 -0.088
98 HE ARG 13 HE ARG 13 -9.663 -2.754 1.916
99 HH11 ARG 13 1HH1 ARG 13 -10.078 0.456 0.496
100 HH12 ARG 13 2HH1 ARG 13 -11.762 0.482 0.738
101 HH21 ARG 13 1HH2 ARG 13 -11.879 -2.696 2.296
102 HH22 ARG 13 2HH2 ARG 13 -12.828 -1.344 1.860
103 H LYS 14 H LYS 14 -6.563 -2.896 -1.990
104 HA LYS 14 HA LYS 14 -3.749 -3.453 -1.603
105 HB2 LYS 14 2HB LYS 14 -3.590 -3.077 -4.174
106 HB3 LYS 14 1HB LYS 14 -4.165 -4.602 -3.525
107 HG2 LYS 14 2HG LYS 14 -5.545 -4.088 -5.369
108 HG3 LYS 14 1HG LYS 14 -6.493 -3.793 -3.919
109 HD2 LYS 14 2HD LYS 14 -6.930 -2.042 -5.509
110 HD3 LYS 14 1HD LYS 14 -6.001 -1.373 -4.168
111 HE2 LYS 14 2HE LYS 14 -3.976 -1.421 -5.484
112 HE3 LYS 14 1HE LYS 14 -4.802 -2.268 -6.791
113 HZ1 LYS 14 3HZ LYS 14 -6.205 -0.294 -7.088
114 HZ2 LYS 14 1HZ LYS 14 -4.583 0.082 -7.294
115 HZ3 LYS 14 2HZ LYS 14 -5.365 0.509 -5.880
116 H CYS 15 H CYS 15 -2.242 -2.011 -1.704
117 HA CYS 15 HA CYS 15 -2.880 0.534 -0.706
118 HB2 CYS 15 2HB CYS 15 -0.243 -0.227 -1.928
119 HB3 CYS 15 1HB CYS 15 -0.552 0.876 -0.594
120 H CYS 16 H CYS 16 -3.540 2.222 -1.708
121 HA CYS 16 HA CYS 16 -3.892 2.602 -4.404
122 HB2 CYS 16 2HB CYS 16 -3.521 4.711 -2.285
123 HB3 CYS 16 1HB CYS 16 -4.252 4.964 -3.862
124 H GLU 17 H GLU 17 -2.881 3.780 -5.957
125 HA GLU 17 HA GLU 17 -1.340 4.754 -7.198
126 HB2 GLU 17 2HB GLU 17 -1.152 6.285 -5.129
127 HB3 GLU 17 1HB GLU 17 0.295 5.377 -4.732
128 HG2 GLU 17 2HG GLU 17 0.896 7.414 -5.869
129 HG3 GLU 17 1HG GLU 17 1.256 6.025 -6.900
130 H GLY 18 H GLY 18 -1.236 1.960 -6.152
131 HA2 GLY 18 2HA GLY 18 -0.011 0.074 -6.626
132 HA3 GLY 18 1HA GLY 18 0.958 1.081 -7.692
133 H MET 19 H MET 19 0.470 1.151 -4.216
134 HA MET 19 HA MET 19 3.375 1.261 -3.879
135 HB2 MET 19 2HB MET 19 1.132 1.821 -1.941
136 HB3 MET 19 1HB MET 19 2.837 1.967 -1.541
137 HG2 MET 19 2HG MET 19 1.288 3.567 -3.573
138 HG3 MET 19 1HG MET 19 1.981 4.147 -2.057
139 HE1 MET 19 3HE MET 19 4.099 5.882 -4.945
140 HE2 MET 19 1HE MET 19 2.982 6.161 -3.611
141 HE3 MET 19 2HE MET 19 2.412 5.398 -5.097
142 H VAL 20 H VAL 20 4.324 -0.080 -2.096
143 HA VAL 20 HA VAL 20 3.350 -2.759 -2.524
144 HB VAL 20 HB VAL 20 5.793 -2.258 -2.670
145 HG11 VAL 20 1HG1 VAL 20 5.675 -1.936 0.309
146 HG12 VAL 20 2HG1 VAL 20 6.000 -0.669 -0.867
147 HG13 VAL 20 3HG1 VAL 20 7.143 -1.999 -0.668
148 HG21 VAL 20 3HG2 VAL 20 5.072 -4.298 -0.570
149 HG22 VAL 20 1HG2 VAL 20 6.598 -4.237 -1.453
150 HG23 VAL 20 2HG2 VAL 20 5.090 -4.553 -2.313
151 H CYS 21 H CYS 21 2.612 -4.195 -1.068
152 HA CYS 21 HA CYS 21 1.347 -3.122 1.270
153 HB2 CYS 21 2HB CYS 21 0.162 -4.762 -0.130
154 HB3 CYS 21 1HB CYS 21 1.456 -5.924 0.104
155 H ARG 22 H ARG 22 2.110 -3.274 3.269
156 HA ARG 22 HA ARG 22 4.141 -5.161 4.035
157 HB2 ARG 22 2HB ARG 22 5.141 -2.964 2.907
158 HB3 ARG 22 1HB ARG 22 4.692 -2.219 4.427
159 HG2 ARG 22 2HG ARG 22 7.033 -2.827 4.440
160 HG3 ARG 22 1HG ARG 22 6.164 -3.815 5.615
161 HD2 ARG 22 2HD ARG 22 6.125 -5.679 4.078
162 HD3 ARG 22 1HD ARG 22 6.838 -4.687 2.809
163 HE ARG 22 HE ARG 22 8.587 -4.610 4.927
164 HH11 ARG 22 1HH1 ARG 22 7.224 -7.139 2.872
165 HH12 ARG 22 2HH1 ARG 22 8.633 -8.089 2.855
166 HH21 ARG 22 1HH2 ARG 22 10.486 -5.881 4.951
167 HH22 ARG 22 2HH2 ARG 22 10.569 -7.355 4.082
168 H LEU 23 H LEU 23 4.660 -3.624 6.489
169 HA LEU 23 HA LEU 23 2.203 -4.009 7.847
170 HB2 LEU 23 2HB LEU 23 4.671 -2.474 8.720
171 HB3 LEU 23 1HB LEU 23 3.307 -2.806 9.760
172 HG LEU 23 HG LEU 23 4.967 -4.330 10.376
173 HD11 LEU 23 1HD1 LEU 23 4.046 -6.515 9.888
174 HD12 LEU 23 2HD1 LEU 23 3.082 -5.822 8.588
175 HD13 LEU 23 3HD1 LEU 23 2.790 -5.333 10.258
176 HD21 LEU 23 3HD2 LEU 23 6.452 -4.143 8.453
177 HD22 LEU 23 1HD2 LEU 23 5.321 -5.073 7.472
178 HD23 LEU 23 2HD2 LEU 23 6.143 -5.839 8.832
179 H TRP 24 H TRP 24 3.804 -1.345 6.374
180 HA TRP 24 HA TRP 24 1.290 0.091 6.295
181 HB2 TRP 24 2HB TRP 24 3.952 1.220 7.143
182 HB3 TRP 24 1HB TRP 24 2.708 2.243 6.459
183 HD1 TRP 24 HD TRP 24 0.398 2.421 7.923
184 HE1 TRP 24 1HE TRP 24 0.079 2.331 10.486
185 HE3 TRP 24 3HE TRP 24 4.791 0.247 9.166
186 HZ2 TRP 24 2HZ TRP 24 1.530 1.453 12.732
187 HZ3 TRP 24 3HZ TRP 24 5.289 -0.194 11.557
188 HH2 TRP 24 HH TRP 24 3.679 0.405 13.298
189 H CYS 25 H CYS 25 0.837 0.406 4.253
190 HA CYS 25 HA CYS 25 2.688 0.067 2.103
191 HB2 CYS 25 2HB CYS 25 0.167 1.738 2.036
192 HB3 CYS 25 1HB CYS 25 0.960 0.911 0.704
193 H LYS 26 H LYS 26 4.242 1.540 1.602
194 HA LYS 26 HA LYS 26 3.639 4.329 2.277
195 HB2 LYS 26 2HB LYS 26 6.351 3.000 2.217
196 HB3 LYS 26 1HB LYS 26 6.076 4.716 2.453
197 HG2 LYS 26 2HG LYS 26 4.856 4.211 4.522
198 HG3 LYS 26 1HG LYS 26 5.215 2.499 4.303
199 HD2 LYS 26 2HD LYS 26 7.627 3.046 4.323
200 HD3 LYS 26 1HD LYS 26 7.222 4.731 4.635
201 HE2 LYS 26 2HE LYS 26 7.780 3.734 6.721
202 HE3 LYS 26 1HE LYS 26 6.033 3.967 6.699
203 HZ1 LYS 26 3HZ LYS 26 6.635 1.803 7.574
204 HZ2 LYS 26 1HZ LYS 26 7.487 1.448 6.181
205 HZ3 LYS 26 2HZ LYS 26 5.826 1.565 6.094
206 H LYS 27 H LYS 27 4.756 5.860 0.854
207 HA LYS 27 HA LYS 27 4.289 5.102 -1.869
208 HB2 LYS 27 2HB LYS 27 5.471 7.637 -0.718
209 HB3 LYS 27 1HB LYS 27 5.004 7.387 -2.391
210 HG2 LYS 27 2HG LYS 27 2.667 7.158 -1.712
211 HG3 LYS 27 1HG LYS 27 3.139 7.367 -0.026
212 HD2 LYS 27 2HD LYS 27 2.289 9.459 -0.919
213 HD3 LYS 27 1HD LYS 27 4.002 9.608 -0.549
214 HE2 LYS 27 2HE LYS 27 4.539 9.273 -2.926
215 HE3 LYS 27 1HE LYS 27 2.820 9.141 -3.294
216 HZ1 LYS 27 3HZ LYS 27 2.573 11.449 -2.473
217 HZ2 LYS 27 1HZ LYS 27 3.617 11.326 -3.786
218 HZ3 LYS 27 2HZ LYS 27 4.231 11.536 -2.238
219 H LYS 28 H LYS 28 5.694 4.417 -3.261
220 HA LYS 28 HA LYS 28 8.358 3.847 -2.589
221 HB2 LYS 28 2HB LYS 28 8.587 3.225 -4.999
222 HB3 LYS 28 1HB LYS 28 7.185 2.499 -4.234
223 HG2 LYS 28 2HG LYS 28 5.751 4.224 -5.260
224 HG3 LYS 28 1HG LYS 28 7.174 4.900 -6.048
225 HD2 LYS 28 2HD LYS 28 5.962 3.524 -7.613
226 HD3 LYS 28 1HD LYS 28 7.492 2.739 -7.226
227 HE2 LYS 28 2HE LYS 28 6.334 1.264 -5.659
228 HE3 LYS 28 1HE LYS 28 4.809 2.071 -6.012
229 HZ1 LYS 28 3HZ LYS 28 6.427 0.395 -7.865
230 HZ2 LYS 28 1HZ LYS 28 5.090 1.307 -8.357
231 HZ3 LYS 28 2HZ LYS 28 4.902 0.080 -7.231
232 H LEU 29 H LEU 29 9.977 5.212 -2.460
233 HA LEU 29 HA LEU 29 10.205 7.403 -4.273
234 HB2 LEU 29 2HB LEU 29 10.480 9.069 -2.402
235 HB3 LEU 29 1HB LEU 29 8.850 8.521 -2.695
236 HG LEU 29 HG LEU 29 9.203 6.935 -0.709
237 HD11 LEU 29 1HD1 LEU 29 11.609 7.076 -0.499
238 HD12 LEU 29 2HD1 LEU 29 10.819 7.631 0.978
239 HD13 LEU 29 3HD1 LEU 29 11.496 8.802 -0.154
240 HD21 LEU 29 3HD2 LEU 29 8.623 8.686 0.897
241 HD22 LEU 29 1HD2 LEU 29 7.759 8.865 -0.632
242 HD23 LEU 29 2HD2 LEU 29 9.137 9.906 -0.269
243 H TRP 30 H TRP 30 12.293 8.579 -3.851
244 HA TRP 30 HA TRP 30 14.248 6.627 -2.853
245 HB2 TRP 30 2HB TRP 30 14.451 6.940 -5.278
246 HB3 TRP 30 1HB TRP 30 14.595 8.677 -5.052
247 HD1 TRP 30 HD TRP 30 16.944 9.595 -4.802
248 HE1 TRP 30 1HE TRP 30 19.319 8.571 -4.462
249 HE3 TRP 30 3HE TRP 30 15.640 4.722 -4.066
250 HZ2 TRP 30 2HZ TRP 30 20.440 6.048 -3.966
251 HZ3 TRP 30 3HZ TRP 30 17.414 3.067 -3.664
252 HH2 TRP 30 HH TRP 30 19.762 3.722 -3.618