Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649192 | 6pv0 RC | 30641 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 13.263 -1.736 3.260
2 H2 ARG 1 HT2 ARG 1 13.593 -1.131 4.803
3 H3 ARG 1 HT3 ARG 1 12.551 -0.291 3.773
4 HA ARG 1 HA ARG 1 12.054 -2.955 4.953
5 HB2 ARG 1 HB2 ARG 1 11.867 -1.027 6.523
6 HB3 ARG 1 HB1 ARG 1 10.675 -0.310 5.447
7 HG2 ARG 1 HG2 ARG 1 9.537 -1.367 7.259
8 HG3 ARG 1 HG1 ARG 1 9.241 -2.302 5.792
9 HD2 ARG 1 HD2 ARG 1 10.916 -3.926 6.450
10 HD3 ARG 1 HD1 ARG 1 11.334 -2.961 7.863
11 HE ARG 1 HE ARG 1 8.607 -3.538 8.000
12 HH11 ARG 1 HH11 ARG 1 11.657 -5.254 8.096
13 HH12 ARG 1 HH12 ARG 1 11.059 -6.510 9.128
14 HH21 ARG 1 HH21 ARG 1 8.866 -6.472 9.838
15 HH22 ARG 1 HH22 ARG 1 7.816 -5.182 9.340
16 HA PRO 2 HA PRO 2 9.578 -3.262 1.180
17 HB2 PRO 2 HB2 PRO 2 8.756 -5.771 2.521
18 HB3 PRO 2 HB1 PRO 2 9.398 -5.524 0.891
19 HG2 PRO 2 HG2 PRO 2 10.900 -6.624 2.800
20 HG3 PRO 2 HG1 PRO 2 11.597 -5.499 1.620
21 HD2 PRO 2 HD2 PRO 2 10.812 -5.008 4.472
22 HD3 PRO 2 HD1 PRO 2 12.236 -4.433 3.576
23 H PHE 3 HN PHE 3 8.013 -1.719 1.542
24 HA PHE 3 HA PHE 3 5.980 -2.099 3.553
25 HB2 PHE 3 HB2 PHE 3 6.211 -0.082 1.306
26 HB3 PHE 3 HB1 PHE 3 4.960 -0.067 2.540
27 HD1 PHE 3 HD1 PHE 3 8.228 1.014 1.668
28 HD2 PHE 3 HD2 PHE 3 5.703 0.100 4.965
29 HE1 PHE 3 HE1 PHE 3 9.685 2.337 3.142
30 HE2 PHE 3 HE2 PHE 3 7.156 1.421 6.451
31 HZ PHE 3 HZ PHE 3 9.150 2.541 5.539
32 H NLE 4 HN NLE 4 5.098 -4.084 2.999
33 HA NLE 4 HA NLE 4 4.006 -4.414 0.312
34 HB2 NLE 4 HB1 NLE 4 4.355 -6.376 2.579
35 HB3 NLE 4 HB2 NLE 4 5.422 -6.198 1.198
36 HG2 NLE 4 HG1 NLE 4 3.651 -6.950 -0.290
37 HG3 NLE 4 HG2 NLE 4 2.551 -7.098 1.083
38 HD2 NLE 4 HD1 NLE 4 4.017 -8.787 2.084
39 HD3 NLE 4 HD2 NLE 4 5.124 -8.638 0.710
40 HE1 NLE 4 HE1 NLE 4 3.345 -9.366 -0.800
41 HE2 NLE 4 HE2 NLE 4 2.244 -9.519 0.569
42 HE3 NLE 4 HE3 NLE 4 3.654 -10.572 0.448
43 H CYS 5 HN CYS 5 1.889 -4.356 -0.131
44 HA CYS 5 HA CYS 5 -0.050 -3.867 1.898
45 HB2 CYS 5 HB2 CYS 5 -0.559 -2.963 -0.233
46 HB3 CYS 5 HB1 CYS 5 -0.268 -4.500 -1.041
47 H THR 6 HN THR 6 -1.185 -5.287 3.061
48 HA THR 6 HA THR 6 -0.709 -8.126 2.487
49 HB THR 6 HB THR 6 -1.198 -8.453 4.947
50 HG1 THR 6 HG1 THR 6 -0.729 -5.645 5.100
51 HG21 THR 6 HG21 THR 6 1.079 -8.492 4.088
52 HG22 THR 6 HG22 THR 6 1.036 -7.686 5.656
53 HG23 THR 6 HG23 THR 6 1.162 -6.732 4.179
54 H TRP 7 HN TRP 7 -2.967 -6.103 1.751
55 HA TRP 7 HA TRP 7 -5.306 -7.230 2.950
56 HB2 TRP 7 HB2 TRP 7 -5.209 -4.902 2.053
57 HB3 TRP 7 HB1 TRP 7 -5.071 -5.567 0.429
58 HD1 TRP 7 HD1 TRP 7 -7.595 -4.828 3.145
59 HE1 TRP 7 HE1 TRP 7 -9.963 -5.281 2.257
60 HE3 TRP 7 HE3 TRP 7 -6.386 -7.146 -1.245
61 HZ2 TRP 7 HZ2 TRP 7 -11.159 -6.462 -0.010
62 HZ3 TRP 7 HZ3 TRP 7 -8.205 -7.908 -2.713
63 HH2 TRP 7 HH2 TRP 7 -10.538 -7.573 -2.107
64 HA DPR 8 HA DPR 8 -7.068 -10.029 -0.089
65 HB2 DPR 8 HB2 DPR 8 -7.749 -11.827 1.177
66 HB3 DPR 8 HB1 DPR 8 -6.221 -11.915 2.062
67 HG2 DPR 8 HG2 DPR 8 -8.509 -10.021 2.425
68 HG3 DPR 8 HG1 DPR 8 -7.566 -10.885 3.655
69 HD2 DPR 8 HD2 DPR 8 -7.120 -8.280 3.005
70 HD3 DPR 8 HD1 DPR 8 -5.840 -9.368 3.578
71 H GLY 9 HN GLY 9 -6.006 -10.719 -1.827
72 HA2 GLY 9 HA2 GLY 9 -3.385 -12.034 -1.476
73 HA3 GLY 9 HA1 GLY 9 -4.466 -12.289 -2.845
74 H CYS 10 HN CYS 10 -4.270 -9.111 -1.725
75 HA CYS 10 HA CYS 10 -3.019 -8.226 -4.170
76 HB2 CYS 10 HB2 CYS 10 -4.990 -7.078 -3.272
77 HB3 CYS 10 HB1 CYS 10 -4.121 -6.717 -1.785
78 H GLY 11 HN GLY 11 -1.007 -9.451 -3.422
79 HA2 GLY 11 HA2 GLY 11 0.510 -8.253 -1.275
80 HA3 GLY 11 HA1 GLY 11 1.008 -9.601 -2.285
81 H LYS 12 HN LYS 12 0.221 -6.165 -2.798
82 HA LYS 12 HA LYS 12 2.429 -5.933 -4.668
83 HB2 LYS 12 HB2 LYS 12 0.250 -4.844 -5.133
84 HB3 LYS 12 HB1 LYS 12 0.470 -3.830 -3.714
85 HG2 LYS 12 HG2 LYS 12 2.258 -2.666 -4.696
86 HG3 LYS 12 HG1 LYS 12 2.430 -3.858 -5.985
87 HD2 LYS 12 HD2 LYS 12 0.298 -3.207 -6.927
88 HD3 LYS 12 HD1 LYS 12 0.014 -2.096 -5.588
89 HE2 LYS 12 HE2 LYS 12 0.766 -0.958 -7.645
90 HE3 LYS 12 HE1 LYS 12 1.858 -0.710 -6.286
91 HZ1 LYS 12 HZ1 LYS 12 3.338 -2.369 -7.199
92 HZ2 LYS 12 HZ2 LYS 12 3.040 -1.171 -8.355
93 HZ3 LYS 12 HZ3 LYS 12 2.273 -2.670 -8.477
94 H ARG 13 HN ARG 13 4.371 -5.100 -4.217
95 HA ARG 13 HA ARG 13 4.832 -4.279 -1.441
96 HB2 ARG 13 HB2 ARG 13 6.780 -5.336 -3.492
97 HB3 ARG 13 HB1 ARG 13 7.184 -4.900 -1.835
98 HG2 ARG 13 HG2 ARG 13 5.639 -6.628 -1.025
99 HG3 ARG 13 HG1 ARG 13 5.305 -7.087 -2.695
100 HD2 ARG 13 HD2 ARG 13 7.670 -7.653 -3.006
101 HD3 ARG 13 HD1 ARG 13 7.996 -7.189 -1.337
102 HE ARG 13 HE ARG 13 6.179 -9.405 -2.046
103 HH11 ARG 13 HH11 ARG 13 8.958 -9.494 0.861
104 HH12 ARG 13 HH12 ARG 13 8.834 -8.100 -0.163
105 HH21 ARG 13 HH21 ARG 13 6.358 -11.244 -0.707
106 HH22 ARG 13 HH22 ARG 13 7.553 -11.279 0.550
107 H PHE 14 HN PHE 14 5.807 -2.395 -0.922
108 HA PHE 14 HA PHE 14 6.411 -0.552 -3.135
109 HB2 PHE 14 HB2 PHE 14 5.098 0.083 -0.492
110 HB3 PHE 14 HB1 PHE 14 5.505 1.255 -1.744
111 HD1 PHE 14 HD1 PHE 14 3.207 -1.360 -0.706
112 HD2 PHE 14 HD2 PHE 14 4.285 1.293 -3.842
113 HE1 PHE 14 HE1 PHE 14 1.041 -1.779 -1.796
114 HE2 PHE 14 HE2 PHE 14 2.122 0.892 -4.933
115 HZ PHE 14 HZ PHE 14 0.498 -0.649 -3.912
116 H THR 15 HN THR 15 7.852 1.233 -2.515
117 HA THR 15 HA THR 15 9.988 0.194 -0.795
118 HB THR 15 HB THR 15 10.186 2.429 -2.824
119 HG1 THR 15 HG1 THR 15 9.561 0.081 -3.488
120 HG21 THR 15 HG21 THR 15 12.002 2.327 -1.171
121 HG22 THR 15 HG22 THR 15 12.580 1.891 -2.779
122 HG23 THR 15 HG23 THR 15 12.281 0.634 -1.580
123 H ARG 16 HN ARG 16 7.785 2.849 -1.243
124 HA ARG 16 HA ARG 16 8.855 4.083 1.210
125 HB2 ARG 16 HB2 ARG 16 7.509 5.357 -1.175
126 HB3 ARG 16 HB1 ARG 16 7.772 6.202 0.343
127 HG2 ARG 16 HG2 ARG 16 10.155 5.982 0.098
128 HG3 ARG 16 HG1 ARG 16 9.943 5.002 -1.354
129 HD2 ARG 16 HD2 ARG 16 9.059 6.838 -2.563
130 HD3 ARG 16 HD1 ARG 16 8.908 7.814 -1.103
131 HE ARG 16 HE ARG 16 11.433 7.681 -1.046
132 HH11 ARG 16 HH11 ARG 16 9.623 7.521 -4.044
133 HH12 ARG 16 HH12 ARG 16 10.895 8.223 -4.992
134 HH21 ARG 16 HH21 ARG 16 13.089 8.623 -2.281
135 HH22 ARG 16 HH22 ARG 16 12.868 8.856 -3.985
136 H SER 17 HN SER 17 7.418 4.693 2.794
137 HA SER 17 HA SER 17 5.137 3.048 3.049
138 HB2 SER 17 HB2 SER 17 4.755 4.534 5.123
139 HB3 SER 17 HB1 SER 17 6.236 3.575 5.052
140 HG SER 17 HG SER 17 6.794 5.637 5.655
141 H ASP 18 HN ASP 18 5.567 6.340 1.954
142 HA ASP 18 HA ASP 18 2.857 7.139 2.109
143 HB2 ASP 18 HB2 ASP 18 4.647 8.771 1.744
144 HB3 ASP 18 HB1 ASP 18 4.994 8.056 0.171
145 H GLU 19 HN GLU 19 4.678 5.329 -0.267
146 HA GLU 19 HA GLU 19 2.754 5.342 -2.324
147 HB2 GLU 19 HB2 GLU 19 4.840 3.263 -1.670
148 HB3 GLU 19 HB1 GLU 19 3.944 3.359 -3.172
149 HG2 GLU 19 HG2 GLU 19 4.976 5.502 -3.667
150 HG3 GLU 19 HG1 GLU 19 5.852 5.442 -2.140
151 H LEU 20 HN LEU 20 3.406 3.136 0.356
152 HA LEU 20 HA LEU 20 1.313 1.328 -0.249
153 HB2 LEU 20 HB2 LEU 20 3.125 0.596 1.120
154 HB3 LEU 20 HB1 LEU 20 2.830 1.858 2.298
155 HG LEU 20 HG LEU 20 0.717 0.781 2.935
156 HD11 LEU 20 HD11 LEU 20 0.117 -0.255 0.833
157 HD12 LEU 20 HD12 LEU 20 0.202 -1.476 2.101
158 HD13 LEU 20 HD13 LEU 20 1.513 -1.327 0.933
159 HD21 LEU 20 HD21 LEU 20 3.012 -1.175 2.966
160 HD22 LEU 20 HD22 LEU 20 1.657 -1.109 4.091
161 HD23 LEU 20 HD23 LEU 20 2.843 0.194 4.066
162 H GLN 21 HN GLN 21 1.504 4.144 1.920
163 HA GLN 21 HA GLN 21 -1.060 3.960 3.025
164 HB2 GLN 21 HB2 GLN 21 0.656 6.361 2.399
165 HB3 GLN 21 HB1 GLN 21 -0.885 6.486 3.234
166 HG2 GLN 21 HG2 GLN 21 -0.048 5.123 5.049
167 HG3 GLN 21 HG1 GLN 21 1.480 4.893 4.200
168 HE21 GLN 21 HE21 GLN 21 2.926 6.598 4.050
169 HE22 GLN 21 HE22 GLN 21 2.809 8.001 5.051
170 H ARG 22 HN ARG 22 0.055 5.693 0.156
171 HA ARG 22 HA ARG 22 -2.362 6.715 -0.751
172 HB2 ARG 22 HB2 ARG 22 -0.042 7.173 -1.642
173 HB3 ARG 22 HB1 ARG 22 -0.133 5.636 -2.484
174 HG2 ARG 22 HG2 ARG 22 -2.116 6.474 -3.706
175 HG3 ARG 22 HG1 ARG 22 -1.880 8.043 -2.927
176 HD2 ARG 22 HD2 ARG 22 -0.041 6.625 -4.844
177 HD3 ARG 22 HD1 ARG 22 -0.818 8.197 -5.041
178 HE ARG 22 HE ARG 22 0.725 8.467 -2.805
179 HH11 ARG 22 HH11 ARG 22 2.976 8.149 -6.110
180 HH12 ARG 22 HH12 ARG 22 1.326 7.614 -6.142
181 HH21 ARG 22 HH21 ARG 22 2.897 9.141 -2.737
182 HH22 ARG 22 HH22 ARG 22 3.870 9.018 -4.174
183 H HIS 23 HN HIS 23 -0.791 3.638 -1.483
184 HA HIS 23 HA HIS 23 -2.722 2.613 -3.218
185 HB2 HIS 23 HB2 HIS 23 -0.558 1.616 -3.152
186 HB3 HIS 23 HB1 HIS 23 -0.697 1.277 -1.432
187 HD1 HIS 23 HD1 HIS 23 -1.583 -0.110 -4.791
188 HD2 HIS 23 HD2 HIS 23 -2.331 -0.903 -0.759
189 HE1 HIS 23 HE1 HIS 23 -2.617 -2.434 -4.684
190 H LYS 24 HN LYS 24 -2.337 2.226 0.283
191 HA LYS 24 HA LYS 24 -4.344 0.363 0.742
192 HB2 LYS 24 HB2 LYS 24 -2.655 1.011 2.398
193 HB3 LYS 24 HB1 LYS 24 -3.383 2.602 2.536
194 HG2 LYS 24 HG2 LYS 24 -4.056 1.356 4.427
195 HG3 LYS 24 HG1 LYS 24 -5.461 1.482 3.368
196 HD2 LYS 24 HD2 LYS 24 -5.153 -0.774 2.594
197 HD3 LYS 24 HD1 LYS 24 -3.619 -0.908 3.458
198 HE2 LYS 24 HE2 LYS 24 -4.802 -0.664 5.589
199 HE3 LYS 24 HE1 LYS 24 -6.330 -0.519 4.725
200 HZ1 LYS 24 HZ1 LYS 24 -4.564 -2.900 4.645
201 HZ2 LYS 24 HZ2 LYS 24 -6.090 -2.755 3.929
202 HZ3 LYS 24 HZ3 LYS 24 -5.944 -2.752 5.610
203 H ARG 25 HN ARG 25 -4.581 3.761 0.072
204 HA ARG 25 HA ARG 25 -7.121 4.304 1.112
205 HB2 ARG 25 HB2 ARG 25 -5.718 5.452 -1.298
206 HB3 ARG 25 HB1 ARG 25 -7.208 6.104 -0.628
207 HG2 ARG 25 HG2 ARG 25 -6.066 6.556 1.479
208 HG3 ARG 25 HG1 ARG 25 -4.573 5.892 0.816
209 HD2 ARG 25 HD2 ARG 25 -4.542 7.629 -0.896
210 HD3 ARG 25 HD1 ARG 25 -6.058 8.285 -0.277
211 HE ARG 25 HE ARG 25 -4.546 8.443 1.892
212 HH11 ARG 25 HH11 ARG 25 -2.679 10.537 -0.988
213 HH12 ARG 25 HH12 ARG 25 -3.818 9.303 -1.421
214 HH21 ARG 25 HH21 ARG 25 -2.253 10.983 1.232
215 HH22 ARG 25 HH22 ARG 25 -3.065 10.079 2.471
216 H THR 26 HN THR 26 -6.180 2.439 -1.648
217 HA THR 26 HA THR 26 -8.645 2.628 -3.059
218 HB THR 26 HB THR 26 -7.893 0.669 -4.333
219 HG1 THR 26 HG1 THR 26 -5.548 0.658 -2.714
220 HG21 THR 26 HG21 THR 26 -5.700 2.692 -3.879
221 HG22 THR 26 HG22 THR 26 -7.068 2.874 -4.974
222 HG23 THR 26 HG23 THR 26 -5.854 1.635 -5.283
223 H HIS 27 HN HIS 27 -7.369 0.453 -0.599
224 HA HIS 27 HA HIS 27 -9.668 -1.290 -0.725
225 HB2 HIS 27 HB2 HIS 27 -7.444 -1.179 1.321
226 HB3 HIS 27 HB1 HIS 27 -8.633 -2.465 1.163
227 HD1 HIS 27 HD1 HIS 27 -8.511 -3.498 -1.565
228 HD2 HIS 27 HD2 HIS 27 -5.118 -1.920 0.280
229 HE1 HIS 27 HE1 HIS 27 -6.492 -4.475 -2.782
230 H THR 28 HN THR 28 -8.613 1.467 1.095
231 HA THR 28 HA THR 28 -10.543 1.136 3.200
232 HB THR 28 HB THR 28 -8.957 3.622 2.542
233 HG1 THR 28 HG1 THR 28 -7.333 2.244 2.877
234 HG21 THR 28 HG21 THR 28 -10.097 2.562 5.134
235 HG22 THR 28 HG22 THR 28 -10.744 3.909 4.198
236 HG23 THR 28 HG23 THR 28 -9.155 4.042 4.953
237 H GLY 29 HN GLY 29 -12.403 0.948 1.724
238 HA2 GLY 29 HA2 GLY 29 -14.427 2.357 1.602
239 HA3 GLY 29 HA1 GLY 29 -13.400 3.611 0.922
240 H GLU 30 HN GLU 30 -15.345 3.310 -0.666
241 HA GLU 30 HA GLU 30 -14.841 1.197 -2.598
242 HB2 GLU 30 HB2 GLU 30 -17.171 1.818 -2.143
243 HB3 GLU 30 HB1 GLU 30 -16.837 3.471 -2.638
244 HG2 GLU 30 HG2 GLU 30 -16.455 2.787 -4.898
245 HG3 GLU 30 HG1 GLU 30 -16.581 1.087 -4.449
246 H LYS 31 HN LYS 31 -13.143 1.454 -3.855
247 HA LYS 31 HA LYS 31 -11.478 2.367 -5.086
248 HB2 LYS 31 HB2 LYS 31 -13.309 3.099 -6.566
249 HB3 LYS 31 HB1 LYS 31 -13.491 4.566 -5.616
250 HG2 LYS 31 HG2 LYS 31 -11.204 5.226 -6.233
251 HG3 LYS 31 HG1 LYS 31 -11.076 3.778 -7.230
252 HD2 LYS 31 HD2 LYS 31 -12.906 4.551 -8.625
253 HD3 LYS 31 HD1 LYS 31 -13.113 5.970 -7.597
254 HE2 LYS 31 HE2 LYS 31 -11.867 6.513 -9.630
255 HE3 LYS 31 HE1 LYS 31 -10.880 6.742 -8.187
256 HZ1 LYS 31 HZ1 LYS 31 -9.648 5.635 -9.944
257 HZ2 LYS 31 HZ2 LYS 31 -10.782 4.383 -9.990
258 HZ3 LYS 31 HZ3 LYS 31 -9.827 4.610 -8.612
259 HN1 NH2 32 HN1 NH2 32 -10.692 2.582 -2.809
260 HN2 NH2 32 HN2 NH2 32 -10.242 4.165 -2.264
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 14.650 -1.203 2.640
2 H2 ARG 1 HT2 ARG 1 15.370 -0.104 3.703
3 H3 ARG 1 HT3 ARG 1 14.594 0.455 2.306
4 HA ARG 1 HA ARG 1 13.306 -0.880 4.612
5 HB2 ARG 1 HB2 ARG 1 13.974 1.416 5.105
6 HB3 ARG 1 HB1 ARG 1 13.224 1.980 3.621
7 HG2 ARG 1 HG2 ARG 1 11.843 2.519 5.521
8 HG3 ARG 1 HG1 ARG 1 11.028 1.339 4.496
9 HD2 ARG 1 HD2 ARG 1 11.678 -0.452 6.014
10 HD3 ARG 1 HD1 ARG 1 12.551 0.703 7.023
11 HE ARG 1 HE ARG 1 10.211 1.790 7.207
12 HH11 ARG 1 HH11 ARG 1 10.870 -1.651 7.066
13 HH12 ARG 1 HH12 ARG 1 9.451 -2.087 7.961
14 HH21 ARG 1 HH21 ARG 1 8.019 -0.458 8.721
15 HH22 ARG 1 HH22 ARG 1 8.347 1.213 8.394
16 HA PRO 2 HA PRO 2 10.629 -1.558 0.987
17 HB2 PRO 2 HB2 PRO 2 10.273 -4.191 1.262
18 HB3 PRO 2 HB1 PRO 2 11.782 -3.531 0.611
19 HG2 PRO 2 HG2 PRO 2 11.215 -4.675 3.295
20 HG3 PRO 2 HG1 PRO 2 12.714 -4.704 2.353
21 HD2 PRO 2 HD2 PRO 2 12.063 -2.934 4.472
22 HD3 PRO 2 HD1 PRO 2 13.465 -2.829 3.389
23 H PHE 3 HN PHE 3 8.416 -2.064 0.798
24 HA PHE 3 HA PHE 3 6.939 -2.538 3.296
25 HB2 PHE 3 HB2 PHE 3 6.417 -0.386 1.244
26 HB3 PHE 3 HB1 PHE 3 5.222 -0.885 2.435
27 HD1 PHE 3 HD1 PHE 3 8.410 0.806 1.893
28 HD2 PHE 3 HD2 PHE 3 5.455 -0.287 4.749
29 HE1 PHE 3 HE1 PHE 3 9.389 2.388 3.500
30 HE2 PHE 3 HE2 PHE 3 6.425 1.292 6.365
31 HZ PHE 3 HZ PHE 3 8.390 2.613 5.767
32 H NLE 4 HN NLE 4 4.722 -3.341 2.886
33 HA NLE 4 HA NLE 4 4.110 -4.264 0.224
34 HB2 NLE 4 HB1 NLE 4 4.636 -6.245 2.437
35 HB3 NLE 4 HB2 NLE 4 5.652 -6.000 1.026
36 HG2 NLE 4 HG1 NLE 4 3.812 -6.736 -0.418
37 HG3 NLE 4 HG2 NLE 4 2.815 -7.011 1.012
38 HD2 NLE 4 HD1 NLE 4 4.400 -8.687 1.814
39 HD3 NLE 4 HD2 NLE 4 5.427 -8.402 0.398
40 HE1 NLE 4 HE1 NLE 4 2.581 -9.402 0.347
41 HE2 NLE 4 HE2 NLE 4 4.025 -10.378 0.083
42 HE3 NLE 4 HE3 NLE 4 3.597 -9.109 -1.064
43 H CYS 5 HN CYS 5 1.979 -4.339 -0.075
44 HA CYS 5 HA CYS 5 0.199 -3.915 2.154
45 HB2 CYS 5 HB2 CYS 5 -0.349 -2.732 0.154
46 HB3 CYS 5 HB1 CYS 5 -0.258 -4.199 -0.812
47 H THR 6 HN THR 6 -1.308 -5.351 2.934
48 HA THR 6 HA THR 6 -1.146 -8.112 1.951
49 HB THR 6 HB THR 6 -1.199 -8.861 4.355
50 HG1 THR 6 HG1 THR 6 -0.064 -6.764 5.486
51 HG21 THR 6 HG21 THR 6 1.199 -7.262 3.445
52 HG22 THR 6 HG22 THR 6 0.876 -8.961 3.095
53 HG23 THR 6 HG23 THR 6 1.209 -8.448 4.749
54 H TRP 7 HN TRP 7 -3.152 -5.851 1.809
55 HA TRP 7 HA TRP 7 -5.311 -6.635 3.539
56 HB2 TRP 7 HB2 TRP 7 -4.833 -4.281 2.623
57 HB3 TRP 7 HB1 TRP 7 -5.540 -4.856 1.118
58 HD1 TRP 7 HD1 TRP 7 -6.452 -3.650 4.570
59 HE1 TRP 7 HE1 TRP 7 -9.005 -3.462 4.774
60 HE3 TRP 7 HE3 TRP 7 -7.778 -6.014 0.239
61 HZ2 TRP 7 HZ2 TRP 7 -11.286 -4.227 3.296
62 HZ3 TRP 7 HZ3 TRP 7 -10.172 -6.251 -0.288
63 HH2 TRP 7 HH2 TRP 7 -11.884 -5.376 1.208
64 HA DPR 8 HA DPR 8 -8.054 -8.794 0.646
65 HB2 DPR 8 HB2 DPR 8 -9.239 -10.176 2.019
66 HB3 DPR 8 HB1 DPR 8 -7.784 -10.829 2.782
67 HG2 DPR 8 HG2 DPR 8 -9.237 -8.274 3.345
68 HG3 DPR 8 HG1 DPR 8 -8.551 -9.448 4.487
69 HD2 DPR 8 HD2 DPR 8 -7.286 -7.150 3.883
70 HD3 DPR 8 HD1 DPR 8 -6.394 -8.652 4.197
71 H GLY 9 HN GLY 9 -7.139 -9.714 -1.078
72 HA2 GLY 9 HA2 GLY 9 -5.050 -11.757 -0.638
73 HA3 GLY 9 HA1 GLY 9 -6.156 -11.749 -2.009
74 H CYS 10 HN CYS 10 -5.108 -8.698 -1.067
75 HA CYS 10 HA CYS 10 -3.605 -8.364 -3.513
76 HB2 CYS 10 HB2 CYS 10 -5.208 -6.667 -2.883
77 HB3 CYS 10 HB1 CYS 10 -4.446 -6.469 -1.313
78 H GLY 11 HN GLY 11 -1.416 -8.267 -3.665
79 HA2 GLY 11 HA2 GLY 11 0.143 -8.024 -1.183
80 HA3 GLY 11 HA1 GLY 11 0.412 -9.402 -2.239
81 H LYS 12 HN LYS 12 0.043 -5.894 -2.667
82 HA LYS 12 HA LYS 12 2.157 -5.895 -4.660
83 HB2 LYS 12 HB2 LYS 12 -0.010 -4.573 -4.853
84 HB3 LYS 12 HB1 LYS 12 0.627 -3.522 -3.597
85 HG2 LYS 12 HG2 LYS 12 2.480 -2.894 -4.992
86 HG3 LYS 12 HG1 LYS 12 1.974 -4.039 -6.239
87 HD2 LYS 12 HD2 LYS 12 -0.206 -2.757 -6.340
88 HD3 LYS 12 HD1 LYS 12 0.571 -1.530 -5.341
89 HE2 LYS 12 HE2 LYS 12 0.714 -0.909 -7.677
90 HE3 LYS 12 HE1 LYS 12 2.322 -1.278 -7.056
91 HZ1 LYS 12 HZ1 LYS 12 2.261 -3.402 -8.111
92 HZ2 LYS 12 HZ2 LYS 12 1.852 -2.241 -9.270
93 HZ3 LYS 12 HZ3 LYS 12 0.647 -3.200 -8.570
94 H ARG 13 HN ARG 13 4.184 -5.050 -4.367
95 HA ARG 13 HA ARG 13 4.870 -4.363 -1.602
96 HB2 ARG 13 HB2 ARG 13 6.598 -5.341 -3.871
97 HB3 ARG 13 HB1 ARG 13 7.222 -4.839 -2.305
98 HG2 ARG 13 HG2 ARG 13 5.808 -6.599 -1.255
99 HG3 ARG 13 HG1 ARG 13 5.390 -7.153 -2.878
100 HD2 ARG 13 HD2 ARG 13 7.210 -8.487 -1.982
101 HD3 ARG 13 HD1 ARG 13 7.774 -7.519 -3.345
102 HE ARG 13 HE ARG 13 8.204 -6.597 -0.583
103 HH11 ARG 13 HH11 ARG 13 11.101 -7.089 -3.327
104 HH12 ARG 13 HH12 ARG 13 9.494 -7.652 -3.662
105 HH21 ARG 13 HH21 ARG 13 10.320 -5.880 -0.128
106 HH22 ARG 13 HH22 ARG 13 11.571 -6.081 -1.316
107 H PHE 14 HN PHE 14 6.300 -2.656 -1.154
108 HA PHE 14 HA PHE 14 6.506 -0.581 -3.216
109 HB2 PHE 14 HB2 PHE 14 5.427 -0.129 -0.428
110 HB3 PHE 14 HB1 PHE 14 5.640 1.096 -1.678
111 HD1 PHE 14 HD1 PHE 14 3.466 -1.336 -0.269
112 HD2 PHE 14 HD2 PHE 14 4.296 0.854 -3.814
113 HE1 PHE 14 HE1 PHE 14 1.180 -1.766 -1.062
114 HE2 PHE 14 HE2 PHE 14 2.009 0.428 -4.615
115 HZ PHE 14 HZ PHE 14 0.484 -0.948 -3.295
116 H THR 15 HN THR 15 7.770 1.356 -2.183
117 HA THR 15 HA THR 15 10.034 0.227 -0.667
118 HB THR 15 HB THR 15 11.337 2.122 -1.894
119 HG1 THR 15 HG1 THR 15 9.004 2.588 -2.913
120 HG21 THR 15 HG21 THR 15 11.793 -0.248 -2.233
121 HG22 THR 15 HG22 THR 15 11.824 0.600 -3.780
122 HG23 THR 15 HG23 THR 15 10.423 -0.374 -3.337
123 H ARG 16 HN ARG 16 7.752 2.799 -0.999
124 HA ARG 16 HA ARG 16 8.786 3.924 1.513
125 HB2 ARG 16 HB2 ARG 16 7.576 5.384 -0.840
126 HB3 ARG 16 HB1 ARG 16 7.758 6.114 0.749
127 HG2 ARG 16 HG2 ARG 16 10.188 5.755 0.601
128 HG3 ARG 16 HG1 ARG 16 9.969 5.105 -1.024
129 HD2 ARG 16 HD2 ARG 16 10.659 7.481 -1.010
130 HD3 ARG 16 HD1 ARG 16 9.106 7.216 -1.798
131 HE ARG 16 HE ARG 16 8.240 7.869 0.589
132 HH11 ARG 16 HH11 ARG 16 10.896 9.322 -1.193
133 HH12 ARG 16 HH12 ARG 16 10.700 10.873 -0.445
134 HH21 ARG 16 HH21 ARG 16 7.977 9.901 1.546
135 HH22 ARG 16 HH22 ARG 16 9.043 11.206 1.118
136 H SER 17 HN SER 17 7.266 4.510 3.052
137 HA SER 17 HA SER 17 4.899 3.004 3.148
138 HB2 SER 17 HB2 SER 17 4.378 4.457 5.148
139 HB3 SER 17 HB1 SER 17 5.953 3.663 5.201
140 HG SER 17 HG SER 17 5.378 6.284 5.285
141 H ASP 18 HN ASP 18 5.627 6.152 1.924
142 HA ASP 18 HA ASP 18 3.078 7.304 1.805
143 HB2 ASP 18 HB2 ASP 18 5.257 7.583 -0.277
144 HB3 ASP 18 HB1 ASP 18 3.969 8.732 0.074
145 H GLU 19 HN GLU 19 4.743 5.124 -0.405
146 HA GLU 19 HA GLU 19 2.789 5.036 -2.420
147 HB2 GLU 19 HB2 GLU 19 4.787 2.944 -1.566
148 HB3 GLU 19 HB1 GLU 19 3.866 2.897 -3.055
149 HG2 GLU 19 HG2 GLU 19 4.987 4.896 -3.841
150 HG3 GLU 19 HG1 GLU 19 5.867 5.021 -2.317
151 H LEU 20 HN LEU 20 3.379 3.054 0.438
152 HA LEU 20 HA LEU 20 1.262 1.237 0.019
153 HB2 LEU 20 HB2 LEU 20 3.113 0.705 1.480
154 HB3 LEU 20 HB1 LEU 20 2.710 2.042 2.537
155 HG LEU 20 HG LEU 20 0.632 0.917 3.190
156 HD11 LEU 20 HD11 LEU 20 0.255 -1.418 2.521
157 HD12 LEU 20 HD12 LEU 20 1.606 -1.297 1.395
158 HD13 LEU 20 HD13 LEU 20 0.167 -0.306 1.155
159 HD21 LEU 20 HD21 LEU 20 2.694 0.539 4.467
160 HD22 LEU 20 HD22 LEU 20 3.059 -0.857 3.449
161 HD23 LEU 20 HD23 LEU 20 1.635 -0.870 4.491
162 H GLN 21 HN GLN 21 1.445 4.333 1.715
163 HA GLN 21 HA GLN 21 -1.096 4.198 2.940
164 HB2 GLN 21 HB2 GLN 21 0.600 6.572 2.152
165 HB3 GLN 21 HB1 GLN 21 -0.899 6.708 3.060
166 HG2 GLN 21 HG2 GLN 21 0.047 5.409 4.872
167 HG3 GLN 21 HG1 GLN 21 1.536 5.180 3.955
168 HE21 GLN 21 HE21 GLN 21 -0.365 7.385 5.829
169 HE22 GLN 21 HE22 GLN 21 0.841 8.616 5.976
170 H ARG 22 HN ARG 22 -0.054 5.846 -0.054
171 HA ARG 22 HA ARG 22 -2.629 6.738 -0.758
172 HB2 ARG 22 HB2 ARG 22 -1.722 7.201 -2.950
173 HB3 ARG 22 HB1 ARG 22 -0.540 7.650 -1.732
174 HG2 ARG 22 HG2 ARG 22 0.611 5.487 -2.143
175 HG3 ARG 22 HG1 ARG 22 -0.518 5.195 -3.467
176 HD2 ARG 22 HD2 ARG 22 0.244 7.314 -4.519
177 HD3 ARG 22 HD1 ARG 22 1.443 7.479 -3.236
178 HE ARG 22 HE ARG 22 1.501 5.004 -4.768
179 HH11 ARG 22 HH11 ARG 22 4.323 7.843 -5.105
180 HH12 ARG 22 HH12 ARG 22 2.855 8.190 -4.245
181 HH21 ARG 22 HH21 ARG 22 3.424 4.551 -5.900
182 HH22 ARG 22 HH22 ARG 22 4.648 5.774 -6.044
183 H HIS 23 HN HIS 23 -0.868 3.781 -1.489
184 HA HIS 23 HA HIS 23 -2.719 2.677 -3.289
185 HB2 HIS 23 HB2 HIS 23 -0.557 1.708 -3.222
186 HB3 HIS 23 HB1 HIS 23 -0.637 1.458 -1.484
187 HD1 HIS 23 HD1 HIS 23 -1.539 -0.160 -4.731
188 HD2 HIS 23 HD2 HIS 23 -2.204 -0.717 -0.649
189 HE1 HIS 23 HE1 HIS 23 -2.563 -2.478 -4.467
190 H LYS 24 HN LYS 24 -2.342 2.281 0.222
191 HA LYS 24 HA LYS 24 -4.331 0.353 0.569
192 HB2 LYS 24 HB2 LYS 24 -2.575 0.944 2.225
193 HB3 LYS 24 HB1 LYS 24 -3.438 2.438 2.560
194 HG2 LYS 24 HG2 LYS 24 -5.342 1.190 3.386
195 HG3 LYS 24 HG1 LYS 24 -4.547 -0.329 2.969
196 HD2 LYS 24 HD2 LYS 24 -4.335 0.139 5.352
197 HD3 LYS 24 HD1 LYS 24 -2.759 0.164 4.561
198 HE2 LYS 24 HE2 LYS 24 -2.863 2.622 4.475
199 HE3 LYS 24 HE1 LYS 24 -4.417 2.575 5.305
200 HZ1 LYS 24 HZ1 LYS 24 -3.343 1.571 7.206
201 HZ2 LYS 24 HZ2 LYS 24 -2.585 3.031 6.818
202 HZ3 LYS 24 HZ3 LYS 24 -1.853 1.566 6.405
203 H ARG 25 HN ARG 25 -4.584 3.752 0.050
204 HA ARG 25 HA ARG 25 -7.091 4.247 1.202
205 HB2 ARG 25 HB2 ARG 25 -5.744 5.502 -1.183
206 HB3 ARG 25 HB1 ARG 25 -7.235 6.111 -0.479
207 HG2 ARG 25 HG2 ARG 25 -6.015 6.395 1.671
208 HG3 ARG 25 HG1 ARG 25 -4.535 5.950 0.821
209 HD2 ARG 25 HD2 ARG 25 -4.858 7.838 -0.720
210 HD3 ARG 25 HD1 ARG 25 -6.317 8.297 0.160
211 HE ARG 25 HE ARG 25 -3.835 8.138 1.680
212 HH11 ARG 25 HH11 ARG 25 -5.712 11.605 0.897
213 HH12 ARG 25 HH12 ARG 25 -6.201 10.164 0.068
214 HH21 ARG 25 HH21 ARG 25 -4.006 11.532 2.434
215 HH22 ARG 25 HH22 ARG 25 -3.197 10.035 2.761
216 H THR 26 HN THR 26 -6.247 2.428 -1.602
217 HA THR 26 HA THR 26 -8.769 2.620 -2.927
218 HB THR 26 HB THR 26 -8.049 0.618 -4.191
219 HG1 THR 26 HG1 THR 26 -5.593 0.727 -2.765
220 HG21 THR 26 HG21 THR 26 -7.335 2.798 -4.976
221 HG22 THR 26 HG22 THR 26 -6.061 1.613 -5.252
222 HG23 THR 26 HG23 THR 26 -5.932 2.751 -3.911
223 H HIS 27 HN HIS 27 -7.393 0.530 -0.475
224 HA HIS 27 HA HIS 27 -9.693 -1.233 -0.445
225 HB2 HIS 27 HB2 HIS 27 -7.403 -1.068 1.524
226 HB3 HIS 27 HB1 HIS 27 -8.560 -2.381 1.372
227 HD1 HIS 27 HD1 HIS 27 -8.402 -3.387 -1.395
228 HD2 HIS 27 HD2 HIS 27 -5.077 -1.788 0.539
229 HE1 HIS 27 HE1 HIS 27 -6.349 -4.368 -2.544
230 H THR 28 HN THR 28 -8.207 1.207 1.646
231 HA THR 28 HA THR 28 -10.585 1.161 3.363
232 HB THR 28 HB THR 28 -7.921 2.470 3.937
233 HG1 THR 28 HG1 THR 28 -8.322 -0.070 3.687
234 HG21 THR 28 HG21 THR 28 -8.670 2.375 6.261
235 HG22 THR 28 HG22 THR 28 -10.180 1.617 5.756
236 HG23 THR 28 HG23 THR 28 -9.823 3.276 5.275
237 H GLY 29 HN GLY 29 -11.873 2.398 1.926
238 HA2 GLY 29 HA2 GLY 29 -11.675 5.218 2.343
239 HA3 GLY 29 HA1 GLY 29 -11.328 4.760 0.680
240 H GLU 30 HN GLU 30 -13.275 6.081 0.239
241 HA GLU 30 HA GLU 30 -15.802 4.939 1.076
242 HB2 GLU 30 HB2 GLU 30 -15.490 7.403 0.923
243 HB3 GLU 30 HB1 GLU 30 -15.280 7.239 -0.814
244 HG2 GLU 30 HG2 GLU 30 -17.535 6.453 -1.067
245 HG3 GLU 30 HG1 GLU 30 -17.761 6.428 0.682
246 H LYS 31 HN LYS 31 -15.438 2.868 0.066
247 HA LYS 31 HA LYS 31 -16.306 2.901 -2.736
248 HB2 LYS 31 HB2 LYS 31 -13.846 2.484 -2.628
249 HB3 LYS 31 HB1 LYS 31 -14.168 1.055 -1.662
250 HG2 LYS 31 HG2 LYS 31 -15.458 0.110 -3.536
251 HG3 LYS 31 HG1 LYS 31 -15.042 1.525 -4.502
252 HD2 LYS 31 HD2 LYS 31 -13.094 -0.459 -3.323
253 HD3 LYS 31 HD1 LYS 31 -13.573 -0.358 -5.018
254 HE2 LYS 31 HE2 LYS 31 -12.106 1.761 -3.446
255 HE3 LYS 31 HE1 LYS 31 -11.406 0.699 -4.665
256 HZ1 LYS 31 HZ1 LYS 31 -13.505 2.746 -5.139
257 HZ2 LYS 31 HZ2 LYS 31 -12.871 1.710 -6.313
258 HZ3 LYS 31 HZ3 LYS 31 -11.878 2.867 -5.584
259 HN1 NH2 32 HN1 NH2 32 -15.367 0.205 -0.674
260 HN2 NH2 32 HN2 NH2 32 -16.949 -0.475 -0.516
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 14.055 -1.671 6.641
2 H2 ARG 1 HT2 ARG 1 13.371 -0.547 5.579
3 H3 ARG 1 HT3 ARG 1 14.130 -1.926 4.973
4 HA ARG 1 HA ARG 1 12.473 -3.342 5.907
5 HB2 ARG 1 HB2 ARG 1 11.980 -2.016 7.897
6 HB3 ARG 1 HB1 ARG 1 11.266 -0.755 6.904
7 HG2 ARG 1 HG2 ARG 1 9.488 -2.261 6.225
8 HG3 ARG 1 HG1 ARG 1 10.221 -3.568 7.156
9 HD2 ARG 1 HD2 ARG 1 9.899 -2.283 9.216
10 HD3 ARG 1 HD1 ARG 1 9.179 -0.969 8.285
11 HE ARG 1 HE ARG 1 7.792 -3.385 7.796
12 HH11 ARG 1 HH11 ARG 1 8.255 -0.969 10.279
13 HH12 ARG 1 HH12 ARG 1 6.682 -1.194 10.973
14 HH21 ARG 1 HH21 ARG 1 5.229 -2.744 10.075
15 HH22 ARG 1 HH22 ARG 1 5.714 -3.695 8.709
16 HA PRO 2 HA PRO 2 10.654 -2.215 1.927
17 HB2 PRO 2 HB2 PRO 2 9.997 -4.725 1.189
18 HB3 PRO 2 HB1 PRO 2 11.654 -4.112 1.066
19 HG2 PRO 2 HG2 PRO 2 10.436 -5.889 3.132
20 HG3 PRO 2 HG1 PRO 2 12.043 -5.971 2.390
21 HD2 PRO 2 HD2 PRO 2 11.532 -4.903 4.877
22 HD3 PRO 2 HD1 PRO 2 12.926 -4.461 3.871
23 H PHE 3 HN PHE 3 8.524 -1.970 1.290
24 HA PHE 3 HA PHE 3 6.579 -2.529 3.409
25 HB2 PHE 3 HB2 PHE 3 6.500 -0.576 1.102
26 HB3 PHE 3 HB1 PHE 3 5.208 -0.787 2.278
27 HD1 PHE 3 HD1 PHE 3 8.521 0.558 1.666
28 HD2 PHE 3 HD2 PHE 3 5.491 -0.061 4.583
29 HE1 PHE 3 HE1 PHE 3 9.608 2.201 3.135
30 HE2 PHE 3 HE2 PHE 3 6.568 1.579 6.059
31 HZ PHE 3 HZ PHE 3 8.656 2.668 5.373
32 H NLE 4 HN NLE 4 4.524 -3.388 2.922
33 HA NLE 4 HA NLE 4 3.992 -4.422 0.287
34 HB2 NLE 4 HB1 NLE 4 4.472 -6.316 2.587
35 HB3 NLE 4 HB2 NLE 4 5.557 -6.090 1.226
36 HG2 NLE 4 HG1 NLE 4 3.813 -6.922 -0.287
37 HG3 NLE 4 HG2 NLE 4 2.754 -7.185 1.103
38 HD2 NLE 4 HD1 NLE 4 4.369 -8.766 2.042
39 HD3 NLE 4 HD2 NLE 4 5.435 -8.508 0.651
40 HE1 NLE 4 HE1 NLE 4 2.626 -9.602 0.553
41 HE2 NLE 4 HE2 NLE 4 4.111 -10.539 0.375
42 HE3 NLE 4 HE3 NLE 4 3.677 -9.333 -0.837
43 H CYS 5 HN CYS 5 1.861 -4.661 -0.041
44 HA CYS 5 HA CYS 5 0.011 -3.889 1.983
45 HB2 CYS 5 HB2 CYS 5 -0.396 -3.392 -0.385
46 HB3 CYS 5 HB1 CYS 5 -0.458 -5.114 -0.745
47 H THR 6 HN THR 6 -1.291 -5.111 3.236
48 HA THR 6 HA THR 6 -0.815 -8.014 3.168
49 HB THR 6 HB THR 6 -1.438 -7.896 5.630
50 HG1 THR 6 HG1 THR 6 -1.637 -5.957 6.561
51 HG21 THR 6 HG21 THR 6 0.868 -8.188 4.920
52 HG22 THR 6 HG22 THR 6 0.799 -7.106 6.310
53 HG23 THR 6 HG23 THR 6 1.040 -6.449 4.689
54 H TRP 7 HN TRP 7 -3.009 -6.059 2.065
55 HA TRP 7 HA TRP 7 -5.386 -7.002 3.407
56 HB2 TRP 7 HB2 TRP 7 -5.182 -4.689 2.492
57 HB3 TRP 7 HB1 TRP 7 -5.121 -5.369 0.871
58 HD1 TRP 7 HD1 TRP 7 -7.537 -4.495 3.657
59 HE1 TRP 7 HE1 TRP 7 -9.948 -4.790 2.816
60 HE3 TRP 7 HE3 TRP 7 -6.559 -6.835 -0.779
61 HZ2 TRP 7 HZ2 TRP 7 -11.258 -5.868 0.558
62 HZ3 TRP 7 HZ3 TRP 7 -8.446 -7.467 -2.218
63 HH2 TRP 7 HH2 TRP 7 -10.746 -6.995 -1.563
64 HA DPR 8 HA DPR 8 -7.211 -9.852 0.447
65 HB2 DPR 8 HB2 DPR 8 -7.948 -11.583 1.767
66 HB3 DPR 8 HB1 DPR 8 -6.414 -11.712 2.637
67 HG2 DPR 8 HG2 DPR 8 -8.632 -9.729 2.993
68 HG3 DPR 8 HG1 DPR 8 -7.708 -10.606 4.229
69 HD2 DPR 8 HD2 DPR 8 -7.171 -8.035 3.554
70 HD3 DPR 8 HD1 DPR 8 -5.913 -9.168 4.087
71 H GLY 9 HN GLY 9 -6.232 -10.777 -1.232
72 HA2 GLY 9 HA2 GLY 9 -3.621 -12.077 -0.840
73 HA3 GLY 9 HA1 GLY 9 -4.701 -12.343 -2.207
74 H CYS 10 HN CYS 10 -4.321 -9.132 -1.130
75 HA CYS 10 HA CYS 10 -3.127 -8.389 -3.656
76 HB2 CYS 10 HB2 CYS 10 -5.037 -7.138 -2.775
77 HB3 CYS 10 HB1 CYS 10 -4.131 -6.745 -1.321
78 H GLY 11 HN GLY 11 -1.096 -9.541 -3.062
79 HA2 GLY 11 HA2 GLY 11 0.539 -8.327 -0.993
80 HA3 GLY 11 HA1 GLY 11 0.965 -9.709 -1.990
81 H LYS 12 HN LYS 12 0.263 -6.240 -2.423
82 HA LYS 12 HA LYS 12 2.327 -6.121 -4.486
83 HB2 LYS 12 HB2 LYS 12 0.104 -5.054 -4.871
84 HB3 LYS 12 HB1 LYS 12 0.442 -3.949 -3.546
85 HG2 LYS 12 HG2 LYS 12 2.274 -2.979 -4.733
86 HG3 LYS 12 HG1 LYS 12 2.144 -4.184 -6.017
87 HD2 LYS 12 HD2 LYS 12 -0.093 -3.332 -6.575
88 HD3 LYS 12 HD1 LYS 12 0.060 -2.115 -5.309
89 HE2 LYS 12 HE2 LYS 12 1.957 -1.120 -6.467
90 HE3 LYS 12 HE1 LYS 12 1.874 -2.372 -7.708
91 HZ1 LYS 12 HZ1 LYS 12 -0.258 -0.390 -7.126
92 HZ2 LYS 12 HZ2 LYS 12 -0.297 -1.560 -8.344
93 HZ3 LYS 12 HZ3 LYS 12 0.829 -0.302 -8.418
94 H ARG 13 HN ARG 13 4.290 -5.262 -4.163
95 HA ARG 13 HA ARG 13 4.893 -4.378 -1.438
96 HB2 ARG 13 HB2 ARG 13 6.690 -5.381 -3.641
97 HB3 ARG 13 HB1 ARG 13 7.256 -4.848 -2.064
98 HG2 ARG 13 HG2 ARG 13 6.060 -6.624 -0.976
99 HG3 ARG 13 HG1 ARG 13 5.321 -7.109 -2.504
100 HD2 ARG 13 HD2 ARG 13 8.269 -7.161 -1.877
101 HD3 ARG 13 HD1 ARG 13 7.201 -8.566 -1.902
102 HE ARG 13 HE ARG 13 6.860 -7.538 -4.363
103 HH11 ARG 13 HH11 ARG 13 10.690 -8.675 -3.929
104 HH12 ARG 13 HH12 ARG 13 9.732 -8.317 -2.528
105 HH21 ARG 13 HH21 ARG 13 8.117 -7.985 -6.218
106 HH22 ARG 13 HH22 ARG 13 9.770 -8.476 -6.032
107 H PHE 14 HN PHE 14 6.144 -2.566 -1.003
108 HA PHE 14 HA PHE 14 6.473 -0.624 -3.181
109 HB2 PHE 14 HB2 PHE 14 5.183 -0.071 -0.502
110 HB3 PHE 14 HB1 PHE 14 5.583 1.156 -1.702
111 HD1 PHE 14 HD1 PHE 14 3.309 -1.504 -0.769
112 HD2 PHE 14 HD2 PHE 14 4.347 1.299 -3.787
113 HE1 PHE 14 HE1 PHE 14 1.107 -1.822 -1.815
114 HE2 PHE 14 HE2 PHE 14 2.149 0.988 -4.840
115 HZ PHE 14 HZ PHE 14 0.578 -0.666 -3.923
116 H THR 15 HN THR 15 7.942 1.134 -2.622
117 HA THR 15 HA THR 15 9.956 0.276 -0.650
118 HB THR 15 HB THR 15 10.420 2.154 -2.971
119 HG1 THR 15 HG1 THR 15 10.184 -0.629 -2.892
120 HG21 THR 15 HG21 THR 15 12.756 1.489 -2.694
121 HG22 THR 15 HG22 THR 15 12.305 0.392 -1.390
122 HG23 THR 15 HG23 THR 15 12.121 2.132 -1.179
123 H ARG 16 HN ARG 16 7.517 2.455 -1.153
124 HA ARG 16 HA ARG 16 8.694 4.362 0.753
125 HB2 ARG 16 HB2 ARG 16 6.838 4.936 -1.564
126 HB3 ARG 16 HB1 ARG 16 7.230 6.101 -0.308
127 HG2 ARG 16 HG2 ARG 16 9.590 5.980 -0.957
128 HG3 ARG 16 HG1 ARG 16 9.160 4.849 -2.243
129 HD2 ARG 16 HD2 ARG 16 9.386 7.156 -3.072
130 HD3 ARG 16 HD1 ARG 16 7.754 6.524 -3.282
131 HE ARG 16 HE ARG 16 8.212 8.066 -0.870
132 HH11 ARG 16 HH11 ARG 16 7.107 8.087 -4.190
133 HH12 ARG 16 HH12 ARG 16 6.157 9.524 -3.997
134 HH21 ARG 16 HH21 ARG 16 6.948 9.954 -0.610
135 HH22 ARG 16 HH22 ARG 16 6.059 10.584 -1.959
136 H SER 17 HN SER 17 7.500 4.844 2.507
137 HA SER 17 HA SER 17 5.363 3.152 3.246
138 HB2 SER 17 HB2 SER 17 5.219 4.652 5.244
139 HB3 SER 17 HB1 SER 17 6.853 4.069 4.923
140 HG SER 17 HG SER 17 5.839 6.632 4.837
141 H ASP 18 HN ASP 18 5.517 6.483 2.106
142 HA ASP 18 HA ASP 18 2.769 7.069 2.468
143 HB2 ASP 18 HB2 ASP 18 4.453 8.832 2.171
144 HB3 ASP 18 HB1 ASP 18 4.723 8.300 0.513
145 H GLU 19 HN GLU 19 4.551 5.507 -0.096
146 HA GLU 19 HA GLU 19 2.458 5.581 -2.009
147 HB2 GLU 19 HB2 GLU 19 4.988 4.005 -1.752
148 HB3 GLU 19 HB1 GLU 19 3.799 3.580 -2.973
149 HG2 GLU 19 HG2 GLU 19 5.072 6.289 -2.673
150 HG3 GLU 19 HG1 GLU 19 5.551 5.060 -3.844
151 H LEU 20 HN LEU 20 3.427 3.274 0.478
152 HA LEU 20 HA LEU 20 1.452 1.341 -0.137
153 HB2 LEU 20 HB2 LEU 20 3.291 0.742 1.283
154 HB3 LEU 20 HB1 LEU 20 2.866 1.982 2.448
155 HG LEU 20 HG LEU 20 0.801 0.757 2.993
156 HD11 LEU 20 HD11 LEU 20 0.511 -1.542 2.172
157 HD12 LEU 20 HD12 LEU 20 1.861 -1.299 1.063
158 HD13 LEU 20 HD13 LEU 20 0.387 -0.345 0.884
159 HD21 LEU 20 HD21 LEU 20 2.888 0.357 4.247
160 HD22 LEU 20 HD22 LEU 20 3.249 -0.989 3.166
161 HD23 LEU 20 HD23 LEU 20 1.830 -1.053 4.208
162 H GLN 21 HN GLN 21 1.459 4.161 2.020
163 HA GLN 21 HA GLN 21 -1.132 3.883 3.054
164 HB2 GLN 21 HB2 GLN 21 0.407 6.403 2.406
165 HB3 GLN 21 HB1 GLN 21 -1.076 6.362 3.345
166 HG2 GLN 21 HG2 GLN 21 0.077 4.944 5.013
167 HG3 GLN 21 HG1 GLN 21 1.566 5.131 4.089
168 HE21 GLN 21 HE21 GLN 21 0.876 7.903 3.361
169 HE22 GLN 21 HE22 GLN 21 1.182 8.843 4.779
170 H ARG 22 HN ARG 22 0.022 5.708 0.269
171 HA ARG 22 HA ARG 22 -2.335 6.642 -0.806
172 HB2 ARG 22 HB2 ARG 22 -0.123 7.263 -1.624
173 HB3 ARG 22 HB1 ARG 22 0.150 5.630 -2.203
174 HG2 ARG 22 HG2 ARG 22 -1.673 5.922 -3.824
175 HG3 ARG 22 HG1 ARG 22 -1.873 7.587 -3.263
176 HD2 ARG 22 HD2 ARG 22 0.426 8.092 -3.900
177 HD3 ARG 22 HD1 ARG 22 0.664 6.425 -4.416
178 HE ARG 22 HE ARG 22 -1.521 7.606 -5.787
179 HH11 ARG 22 HH11 ARG 22 2.176 7.983 -7.316
180 HH12 ARG 22 HH12 ARG 22 1.974 7.537 -5.647
181 HH21 ARG 22 HH21 ARG 22 -1.267 8.185 -7.986
182 HH22 ARG 22 HH22 ARG 22 0.330 8.353 -8.647
183 H HIS 23 HN HIS 23 -0.705 3.568 -1.454
184 HA HIS 23 HA HIS 23 -2.545 2.496 -3.234
185 HB2 HIS 23 HB2 HIS 23 -0.417 1.454 -3.010
186 HB3 HIS 23 HB1 HIS 23 -0.644 1.210 -1.283
187 HD1 HIS 23 HD1 HIS 23 -1.451 -0.324 -4.609
188 HD2 HIS 23 HD2 HIS 23 -2.307 -0.919 -0.569
189 HE1 HIS 23 HE1 HIS 23 -2.536 -2.620 -4.423
190 H LYS 24 HN LYS 24 -2.359 2.137 0.300
191 HA LYS 24 HA LYS 24 -4.455 0.329 0.581
192 HB2 LYS 24 HB2 LYS 24 -2.872 0.732 2.372
193 HB3 LYS 24 HB1 LYS 24 -3.414 2.397 2.524
194 HG2 LYS 24 HG2 LYS 24 -4.317 1.059 4.315
195 HG3 LYS 24 HG1 LYS 24 -5.615 1.605 3.259
196 HD2 LYS 24 HD2 LYS 24 -6.043 -0.674 3.794
197 HD3 LYS 24 HD1 LYS 24 -5.506 -0.626 2.120
198 HE2 LYS 24 HE2 LYS 24 -4.417 -2.470 3.184
199 HE3 LYS 24 HE1 LYS 24 -3.210 -1.213 2.925
200 HZ1 LYS 24 HZ1 LYS 24 -3.078 -2.230 5.137
201 HZ2 LYS 24 HZ2 LYS 24 -4.639 -1.683 5.485
202 HZ3 LYS 24 HZ3 LYS 24 -3.392 -0.572 5.222
203 H ARG 25 HN ARG 25 -4.533 3.742 0.013
204 HA ARG 25 HA ARG 25 -7.046 4.394 1.031
205 HB2 ARG 25 HB2 ARG 25 -5.667 5.470 -1.429
206 HB3 ARG 25 HB1 ARG 25 -7.059 6.213 -0.651
207 HG2 ARG 25 HG2 ARG 25 -5.725 6.487 1.397
208 HG3 ARG 25 HG1 ARG 25 -4.333 5.814 0.551
209 HD2 ARG 25 HD2 ARG 25 -4.187 8.227 0.539
210 HD3 ARG 25 HD1 ARG 25 -4.483 7.645 -1.099
211 HE ARG 25 HE ARG 25 -6.972 8.182 -0.186
212 HH11 ARG 25 HH11 ARG 25 -4.817 11.567 -0.407
213 HH12 ARG 25 HH12 ARG 25 -4.014 10.040 -0.239
214 HH21 ARG 25 HH21 ARG 25 -7.109 11.655 -0.498
215 HH22 ARG 25 HH22 ARG 25 -8.046 10.197 -0.397
216 H THR 26 HN THR 26 -6.199 2.506 -1.746
217 HA THR 26 HA THR 26 -8.694 2.756 -3.104
218 HB THR 26 HB THR 26 -7.964 0.799 -4.415
219 HG1 THR 26 HG1 THR 26 -5.533 0.815 -2.947
220 HG21 THR 26 HG21 THR 26 -7.205 3.014 -5.080
221 HG22 THR 26 HG22 THR 26 -5.952 1.814 -5.395
222 HG23 THR 26 HG23 THR 26 -5.820 2.880 -3.998
223 H HIS 27 HN HIS 27 -7.389 0.571 -0.674
224 HA HIS 27 HA HIS 27 -9.672 -1.179 -0.745
225 HB2 HIS 27 HB2 HIS 27 -7.487 -0.935 1.339
226 HB3 HIS 27 HB1 HIS 27 -8.672 -2.228 1.252
227 HD1 HIS 27 HD1 HIS 27 -8.507 -3.328 -1.508
228 HD2 HIS 27 HD2 HIS 27 -5.150 -1.863 0.490
229 HE1 HIS 27 HE1 HIS 27 -6.472 -4.411 -2.597
230 H THR 28 HN THR 28 -8.557 1.565 1.100
231 HA THR 28 HA THR 28 -9.688 3.108 2.330
232 HB THR 28 HB THR 28 -12.173 1.463 1.843
233 HG1 THR 28 HG1 THR 28 -10.764 3.308 0.291
234 HG21 THR 28 HG21 THR 28 -12.406 3.012 3.719
235 HG22 THR 28 HG22 THR 28 -13.360 3.560 2.340
236 HG23 THR 28 HG23 THR 28 -11.821 4.336 2.712
237 H GLY 29 HN GLY 29 -11.018 -0.120 3.059
238 HA2 GLY 29 HA2 GLY 29 -10.206 0.314 5.859
239 HA3 GLY 29 HA1 GLY 29 -11.808 -0.299 5.475
240 H GLU 30 HN GLU 30 -10.363 -1.805 7.112
241 HA GLU 30 HA GLU 30 -8.742 -3.724 5.735
242 HB2 GLU 30 HB2 GLU 30 -8.448 -3.130 8.143
243 HB3 GLU 30 HB1 GLU 30 -9.981 -3.914 8.486
244 HG2 GLU 30 HG2 GLU 30 -8.096 -5.342 9.039
245 HG3 GLU 30 HG1 GLU 30 -9.087 -6.043 7.762
246 H LYS 31 HN LYS 31 -11.708 -4.230 7.621
247 HA LYS 31 HA LYS 31 -13.456 -5.663 7.396
248 HB2 LYS 31 HB2 LYS 31 -12.973 -5.116 4.467
249 HB3 LYS 31 HB1 LYS 31 -14.416 -5.870 5.125
250 HG2 LYS 31 HG2 LYS 31 -14.918 -3.838 6.377
251 HG3 LYS 31 HG1 LYS 31 -13.460 -3.081 5.731
252 HD2 LYS 31 HD2 LYS 31 -14.348 -3.316 3.463
253 HD3 LYS 31 HD1 LYS 31 -15.804 -4.070 4.110
254 HE2 LYS 31 HE2 LYS 31 -16.327 -2.024 5.334
255 HE3 LYS 31 HE1 LYS 31 -14.860 -1.269 4.713
256 HZ1 LYS 31 HZ1 LYS 31 -15.739 -1.462 2.482
257 HZ2 LYS 31 HZ2 LYS 31 -16.822 -0.608 3.459
258 HZ3 LYS 31 HZ3 LYS 31 -17.134 -2.221 3.060
259 HN1 NH2 32 HN1 NH2 32 -12.029 -7.331 8.227
260 HN2 NH2 32 HN2 NH2 32 -11.656 -8.696 7.230
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 15.155 0.604 2.669
2 H2 ARG 1 HT2 ARG 1 13.876 1.320 1.832
3 H3 ARG 1 HT3 ARG 1 14.541 -0.130 1.276
4 HA ARG 1 HA ARG 1 13.786 -1.272 3.242
5 HB2 ARG 1 HB2 ARG 1 13.860 0.619 4.782
6 HB3 ARG 1 HB1 ARG 1 12.564 1.415 3.902
7 HG2 ARG 1 HG2 ARG 1 11.006 -0.308 4.550
8 HG3 ARG 1 HG1 ARG 1 12.300 -1.213 5.341
9 HD2 ARG 1 HD2 ARG 1 11.350 1.546 6.109
10 HD3 ARG 1 HD1 ARG 1 10.976 0.052 6.970
11 HE ARG 1 HE ARG 1 13.722 0.164 6.850
12 HH11 ARG 1 HH11 ARG 1 11.177 2.181 8.155
13 HH12 ARG 1 HH12 ARG 1 12.178 2.840 9.409
14 HH21 ARG 1 HH21 ARG 1 14.372 2.187 9.597
15 HH22 ARG 1 HH22 ARG 1 15.041 1.042 8.478
16 HA PRO 2 HA PRO 2 10.419 -1.737 0.315
17 HB2 PRO 2 HB2 PRO 2 9.997 -4.348 0.686
18 HB3 PRO 2 HB1 PRO 2 11.451 -3.768 -0.146
19 HG2 PRO 2 HG2 PRO 2 11.125 -4.670 2.691
20 HG3 PRO 2 HG1 PRO 2 12.421 -5.044 1.542
21 HD2 PRO 2 HD2 PRO 2 12.600 -3.105 3.484
22 HD3 PRO 2 HD1 PRO 2 13.529 -3.086 1.970
23 H PHE 3 HN PHE 3 8.185 -2.145 0.430
24 HA PHE 3 HA PHE 3 7.063 -2.527 3.115
25 HB2 PHE 3 HB2 PHE 3 6.285 -0.415 1.099
26 HB3 PHE 3 HB1 PHE 3 5.312 -0.824 2.508
27 HD1 PHE 3 HD1 PHE 3 8.298 0.834 1.300
28 HD2 PHE 3 HD2 PHE 3 6.097 -0.296 4.758
29 HE1 PHE 3 HE1 PHE 3 9.597 2.435 2.644
30 HE2 PHE 3 HE2 PHE 3 7.390 1.299 6.112
31 HZ PHE 3 HZ PHE 3 9.197 2.589 5.094
32 H NLE 4 HN NLE 4 4.867 -3.391 3.087
33 HA NLE 4 HA NLE 4 4.093 -4.589 0.529
34 HB2 NLE 4 HB1 NLE 4 4.406 -6.108 3.118
35 HB3 NLE 4 HB2 NLE 4 5.467 -6.237 1.726
36 HG2 NLE 4 HG1 NLE 4 3.680 -7.178 0.400
37 HG3 NLE 4 HG2 NLE 4 2.542 -6.958 1.732
38 HD2 NLE 4 HD1 NLE 4 3.837 -8.517 3.105
39 HD3 NLE 4 HD2 NLE 4 4.989 -8.731 1.778
40 HE1 NLE 4 HE1 NLE 4 2.048 -9.399 1.688
41 HE2 NLE 4 HE2 NLE 4 3.366 -10.560 1.851
42 HE3 NLE 4 HE3 NLE 4 3.199 -9.617 0.369
43 H CYS 5 HN CYS 5 1.952 -4.618 0.178
44 HA CYS 5 HA CYS 5 0.153 -3.633 2.198
45 HB2 CYS 5 HB2 CYS 5 -0.360 -2.965 -0.023
46 HB3 CYS 5 HB1 CYS 5 -0.251 -4.615 -0.623
47 H THR 6 HN THR 6 -0.634 -4.862 3.754
48 HA THR 6 HA THR 6 -0.555 -7.758 3.429
49 HB THR 6 HB THR 6 -0.972 -7.774 5.911
50 HG1 THR 6 HG1 THR 6 -1.797 -5.431 5.715
51 HG21 THR 6 HG21 THR 6 1.299 -7.025 6.485
52 HG22 THR 6 HG22 THR 6 1.420 -6.221 4.920
53 HG23 THR 6 HG23 THR 6 1.278 -7.977 5.002
54 H TRP 7 HN TRP 7 -2.659 -5.934 2.273
55 HA TRP 7 HA TRP 7 -5.053 -6.713 3.720
56 HB2 TRP 7 HB2 TRP 7 -4.795 -4.441 2.686
57 HB3 TRP 7 HB1 TRP 7 -4.810 -5.210 1.104
58 HD1 TRP 7 HD1 TRP 7 -7.090 -4.066 3.881
59 HE1 TRP 7 HE1 TRP 7 -9.537 -4.376 3.168
60 HE3 TRP 7 HE3 TRP 7 -6.346 -6.801 -0.367
61 HZ2 TRP 7 HZ2 TRP 7 -10.966 -5.620 1.070
62 HZ3 TRP 7 HZ3 TRP 7 -8.305 -7.512 -1.668
63 HH2 TRP 7 HH2 TRP 7 -10.563 -6.934 -0.967
64 HA DPR 8 HA DPR 8 -7.070 -9.501 0.814
65 HB2 DPR 8 HB2 DPR 8 -7.911 -11.162 2.166
66 HB3 DPR 8 HB1 DPR 8 -6.400 -11.336 3.068
67 HG2 DPR 8 HG2 DPR 8 -8.513 -9.227 3.311
68 HG3 DPR 8 HG1 DPR 8 -7.657 -10.106 4.594
69 HD2 DPR 8 HD2 DPR 8 -6.975 -7.590 3.811
70 HD3 DPR 8 HD1 DPR 8 -5.800 -8.758 4.447
71 H GLY 9 HN GLY 9 -6.153 -10.518 -0.845
72 HA2 GLY 9 HA2 GLY 9 -3.597 -11.930 -0.421
73 HA3 GLY 9 HA1 GLY 9 -4.714 -12.233 -1.751
74 H CYS 10 HN CYS 10 -4.292 -8.989 -0.879
75 HA CYS 10 HA CYS 10 -3.056 -8.391 -3.421
76 HB2 CYS 10 HB2 CYS 10 -4.938 -7.053 -2.626
77 HB3 CYS 10 HB1 CYS 10 -4.054 -6.636 -1.166
78 H GLY 11 HN GLY 11 -1.093 -9.642 -2.592
79 HA2 GLY 11 HA2 GLY 11 0.574 -8.303 -0.654
80 HA3 GLY 11 HA1 GLY 11 0.988 -9.738 -1.579
81 H LYS 12 HN LYS 12 0.219 -6.343 -2.317
82 HA LYS 12 HA LYS 12 2.283 -6.288 -4.342
83 HB2 LYS 12 HB2 LYS 12 0.134 -5.113 -4.701
84 HB3 LYS 12 HB1 LYS 12 0.498 -4.056 -3.342
85 HG2 LYS 12 HG2 LYS 12 2.285 -3.037 -4.482
86 HG3 LYS 12 HG1 LYS 12 2.294 -4.276 -5.737
87 HD2 LYS 12 HD2 LYS 12 0.007 -3.514 -6.396
88 HD3 LYS 12 HD1 LYS 12 0.183 -2.181 -5.252
89 HE2 LYS 12 HE2 LYS 12 0.726 -1.520 -7.562
90 HE3 LYS 12 HE1 LYS 12 2.099 -1.344 -6.472
91 HZ1 LYS 12 HZ1 LYS 12 3.073 -3.318 -7.330
92 HZ2 LYS 12 HZ2 LYS 12 2.628 -2.375 -8.658
93 HZ3 LYS 12 HZ3 LYS 12 1.688 -3.708 -8.217
94 H ARG 13 HN ARG 13 4.204 -5.225 -4.231
95 HA ARG 13 HA ARG 13 5.001 -4.381 -1.533
96 HB2 ARG 13 HB2 ARG 13 6.632 -5.587 -3.767
97 HB3 ARG 13 HB1 ARG 13 7.326 -4.944 -2.284
98 HG2 ARG 13 HG2 ARG 13 6.042 -6.568 -0.981
99 HG3 ARG 13 HG1 ARG 13 5.361 -7.218 -2.473
100 HD2 ARG 13 HD2 ARG 13 8.303 -7.141 -1.815
101 HD3 ARG 13 HD1 ARG 13 7.264 -8.546 -1.587
102 HE ARG 13 HE ARG 13 6.898 -7.953 -4.194
103 HH11 ARG 13 HH11 ARG 13 10.717 -9.036 -3.558
104 HH12 ARG 13 HH12 ARG 13 9.767 -8.423 -2.241
105 HH21 ARG 13 HH21 ARG 13 8.137 -8.767 -5.922
106 HH22 ARG 13 HH22 ARG 13 9.787 -9.232 -5.652
107 H PHE 14 HN PHE 14 6.195 -2.559 -1.230
108 HA PHE 14 HA PHE 14 6.483 -0.719 -3.510
109 HB2 PHE 14 HB2 PHE 14 5.467 0.010 -0.751
110 HB3 PHE 14 HB1 PHE 14 5.682 1.118 -2.105
111 HD1 PHE 14 HD1 PHE 14 3.662 -1.631 -0.758
112 HD2 PHE 14 HD2 PHE 14 4.111 1.219 -3.884
113 HE1 PHE 14 HE1 PHE 14 1.375 -2.116 -1.521
114 HE2 PHE 14 HE2 PHE 14 1.821 0.742 -4.648
115 HZ PHE 14 HZ PHE 14 0.453 -0.927 -3.464
116 H THR 15 HN THR 15 7.775 1.305 -2.557
117 HA THR 15 HA THR 15 9.938 0.280 -0.844
118 HB THR 15 HB THR 15 11.449 1.874 -2.141
119 HG1 THR 15 HG1 THR 15 9.323 1.689 -4.040
120 HG21 THR 15 HG21 THR 15 11.820 0.272 -3.974
121 HG22 THR 15 HG22 THR 15 10.277 -0.498 -3.605
122 HG23 THR 15 HG23 THR 15 11.591 -0.546 -2.429
123 H ARG 16 HN ARG 16 7.435 2.365 -1.025
124 HA ARG 16 HA ARG 16 8.647 4.145 0.958
125 HB2 ARG 16 HB2 ARG 16 6.889 5.033 -1.341
126 HB3 ARG 16 HB1 ARG 16 7.447 6.068 -0.034
127 HG2 ARG 16 HG2 ARG 16 9.744 5.755 -0.744
128 HG3 ARG 16 HG1 ARG 16 9.210 4.667 -2.026
129 HD2 ARG 16 HD2 ARG 16 7.909 6.503 -3.010
130 HD3 ARG 16 HD1 ARG 16 8.501 7.584 -1.750
131 HE ARG 16 HE ARG 16 10.739 6.497 -2.941
132 HH11 ARG 16 HH11 ARG 16 8.011 8.439 -3.948
133 HH12 ARG 16 HH12 ARG 16 8.895 9.264 -5.191
134 HH21 ARG 16 HH21 ARG 16 11.906 7.565 -4.586
135 HH22 ARG 16 HH22 ARG 16 11.111 8.762 -5.559
136 H SER 17 HN SER 17 7.358 4.578 2.675
137 HA SER 17 HA SER 17 5.118 2.871 3.091
138 HB2 SER 17 HB2 SER 17 6.771 3.635 4.857
139 HB3 SER 17 HB1 SER 17 5.971 5.208 4.816
140 HG SER 17 HG SER 17 4.230 4.374 5.762
141 H ASP 18 HN ASP 18 5.544 6.192 2.132
142 HA ASP 18 HA ASP 18 2.840 6.993 2.581
143 HB2 ASP 18 HB2 ASP 18 3.399 8.955 1.207
144 HB3 ASP 18 HB1 ASP 18 4.613 8.661 2.445
145 H GLU 19 HN GLU 19 4.560 5.506 -0.081
146 HA GLU 19 HA GLU 19 2.442 5.696 -1.958
147 HB2 GLU 19 HB2 GLU 19 4.887 3.958 -1.776
148 HB3 GLU 19 HB1 GLU 19 3.689 3.731 -3.038
149 HG2 GLU 19 HG2 GLU 19 5.129 6.316 -2.516
150 HG3 GLU 19 HG1 GLU 19 5.611 5.125 -3.724
151 H LEU 20 HN LEU 20 3.435 3.308 0.419
152 HA LEU 20 HA LEU 20 1.464 1.385 -0.148
153 HB2 LEU 20 HB2 LEU 20 3.332 0.843 1.270
154 HB3 LEU 20 HB1 LEU 20 2.867 2.078 2.428
155 HG LEU 20 HG LEU 20 0.835 0.800 2.971
156 HD11 LEU 20 HD11 LEU 20 0.467 -0.336 0.877
157 HD12 LEU 20 HD12 LEU 20 0.647 -1.524 2.166
158 HD13 LEU 20 HD13 LEU 20 1.981 -1.223 1.055
159 HD21 LEU 20 HD21 LEU 20 1.899 -0.922 4.246
160 HD22 LEU 20 HD22 LEU 20 2.970 0.478 4.216
161 HD23 LEU 20 HD23 LEU 20 3.303 -0.910 3.184
162 H GLN 21 HN GLN 21 1.454 4.186 2.047
163 HA GLN 21 HA GLN 21 -1.143 3.850 3.056
164 HB2 GLN 21 HB2 GLN 21 0.545 6.314 2.646
165 HB3 GLN 21 HB1 GLN 21 -1.048 6.378 3.386
166 HG2 GLN 21 HG2 GLN 21 -0.284 4.859 5.148
167 HG3 GLN 21 HG1 GLN 21 1.317 4.822 4.410
168 HE21 GLN 21 HE21 GLN 21 0.424 5.735 7.061
169 HE22 GLN 21 HE22 GLN 21 0.969 7.371 7.198
170 H ARG 22 HN ARG 22 0.011 5.713 0.263
171 HA ARG 22 HA ARG 22 -2.458 6.674 -0.618
172 HB2 ARG 22 HB2 ARG 22 -0.291 7.454 -1.505
173 HB3 ARG 22 HB1 ARG 22 -0.053 5.896 -2.287
174 HG2 ARG 22 HG2 ARG 22 -1.930 6.277 -3.736
175 HG3 ARG 22 HG1 ARG 22 -2.334 7.768 -2.883
176 HD2 ARG 22 HD2 ARG 22 -1.204 8.353 -4.906
177 HD3 ARG 22 HD1 ARG 22 -0.113 8.678 -3.564
178 HE ARG 22 HE ARG 22 1.221 6.851 -4.228
179 HH11 ARG 22 HH11 ARG 22 -0.816 6.483 -7.680
180 HH12 ARG 22 HH12 ARG 22 -1.515 7.363 -6.359
181 HH21 ARG 22 HH21 ARG 22 2.164 5.721 -5.981
182 HH22 ARG 22 HH22 ARG 22 1.271 5.548 -7.464
183 H HIS 23 HN HIS 23 -0.745 3.684 -1.397
184 HA HIS 23 HA HIS 23 -2.587 2.609 -3.195
185 HB2 HIS 23 HB2 HIS 23 -0.449 1.589 -3.044
186 HB3 HIS 23 HB1 HIS 23 -0.610 1.338 -1.311
187 HD1 HIS 23 HD1 HIS 23 -1.436 -0.243 -4.603
188 HD2 HIS 23 HD2 HIS 23 -2.224 -0.813 -0.551
189 HE1 HIS 23 HE1 HIS 23 -2.486 -2.555 -4.380
190 H LYS 24 HN LYS 24 -2.369 2.277 0.332
191 HA LYS 24 HA LYS 24 -4.424 0.452 0.719
192 HB2 LYS 24 HB2 LYS 24 -3.374 2.654 2.476
193 HB3 LYS 24 HB1 LYS 24 -4.645 1.565 3.008
194 HG2 LYS 24 HG2 LYS 24 -1.875 0.744 2.157
195 HG3 LYS 24 HG1 LYS 24 -2.456 0.866 3.816
196 HD2 LYS 24 HD2 LYS 24 -4.209 -0.823 3.237
197 HD3 LYS 24 HD1 LYS 24 -3.410 -1.028 1.677
198 HE2 LYS 24 HE2 LYS 24 -2.688 -2.758 3.212
199 HE3 LYS 24 HE1 LYS 24 -1.344 -1.678 2.842
200 HZ1 LYS 24 HZ1 LYS 24 -1.715 -0.550 4.943
201 HZ2 LYS 24 HZ2 LYS 24 -1.445 -2.198 5.197
202 HZ3 LYS 24 HZ3 LYS 24 -3.013 -1.575 5.293
203 H ARG 25 HN ARG 25 -4.605 3.824 -0.048
204 HA ARG 25 HA ARG 25 -7.188 4.380 0.885
205 HB2 ARG 25 HB2 ARG 25 -5.672 5.530 -1.453
206 HB3 ARG 25 HB1 ARG 25 -7.184 6.189 -0.846
207 HG2 ARG 25 HG2 ARG 25 -6.113 6.562 1.336
208 HG3 ARG 25 HG1 ARG 25 -4.591 5.973 0.669
209 HD2 ARG 25 HD2 ARG 25 -4.652 8.417 0.659
210 HD3 ARG 25 HD1 ARG 25 -4.617 7.784 -0.986
211 HE ARG 25 HE ARG 25 -7.244 8.095 -0.587
212 HH11 ARG 25 HH11 ARG 25 -5.495 11.691 -0.253
213 HH12 ARG 25 HH12 ARG 25 -4.570 10.258 0.048
214 HH21 ARG 25 HH21 ARG 25 -7.708 11.532 -0.841
215 HH22 ARG 25 HH22 ARG 25 -8.456 9.974 -0.994
216 H THR 26 HN THR 26 -6.180 2.421 -1.770
217 HA THR 26 HA THR 26 -8.649 2.597 -3.217
218 HB THR 26 HB THR 26 -7.842 0.633 -4.478
219 HG1 THR 26 HG1 THR 26 -5.479 0.784 -2.890
220 HG21 THR 26 HG21 THR 26 -7.161 2.867 -5.178
221 HG22 THR 26 HG22 THR 26 -5.873 1.701 -5.480
222 HG23 THR 26 HG23 THR 26 -5.767 2.793 -4.101
223 H HIS 27 HN HIS 27 -7.374 0.602 -0.645
224 HA HIS 27 HA HIS 27 -9.638 -1.211 -0.717
225 HB2 HIS 27 HB2 HIS 27 -7.457 -0.940 1.366
226 HB3 HIS 27 HB1 HIS 27 -8.625 -2.251 1.260
227 HD1 HIS 27 HD1 HIS 27 -8.405 -3.390 -1.454
228 HD2 HIS 27 HD2 HIS 27 -5.097 -1.779 0.509
229 HE1 HIS 27 HE1 HIS 27 -6.339 -4.438 -2.521
230 H THR 28 HN THR 28 -8.402 1.426 1.245
231 HA THR 28 HA THR 28 -10.851 1.406 2.849
232 HB THR 28 HB THR 28 -9.544 2.966 4.363
233 HG1 THR 28 HG1 THR 28 -7.442 2.136 2.617
234 HG21 THR 28 HG21 THR 28 -8.470 0.178 3.924
235 HG22 THR 28 HG22 THR 28 -9.853 0.620 4.926
236 HG23 THR 28 HG23 THR 28 -8.231 1.143 5.380
237 H GLY 29 HN GLY 29 -11.827 2.331 0.825
238 HA2 GLY 29 HA2 GLY 29 -11.159 5.055 0.173
239 HA3 GLY 29 HA1 GLY 29 -12.482 4.115 -0.498
240 H GLU 30 HN GLU 30 -13.345 3.429 2.272
241 HA GLU 30 HA GLU 30 -15.269 5.488 2.537
242 HB2 GLU 30 HB2 GLU 30 -15.611 3.098 3.222
243 HB3 GLU 30 HB1 GLU 30 -14.555 3.398 4.596
244 HG2 GLU 30 HG2 GLU 30 -16.886 3.528 5.244
245 HG3 GLU 30 HG1 GLU 30 -16.090 5.092 5.425
246 H LYS 31 HN LYS 31 -12.578 4.529 4.667
247 HA LYS 31 HA LYS 31 -12.702 7.213 5.867
248 HB2 LYS 31 HB2 LYS 31 -11.499 4.699 7.031
249 HB3 LYS 31 HB1 LYS 31 -11.622 6.255 7.834
250 HG2 LYS 31 HG2 LYS 31 -13.922 4.501 6.999
251 HG3 LYS 31 HG1 LYS 31 -13.321 4.726 8.641
252 HD2 LYS 31 HD2 LYS 31 -13.913 7.092 8.540
253 HD3 LYS 31 HD1 LYS 31 -14.494 6.882 6.886
254 HE2 LYS 31 HE2 LYS 31 -16.169 5.276 7.697
255 HE3 LYS 31 HE1 LYS 31 -15.601 5.535 9.346
256 HZ1 LYS 31 HZ1 LYS 31 -17.572 6.843 8.869
257 HZ2 LYS 31 HZ2 LYS 31 -16.787 7.608 7.584
258 HZ3 LYS 31 HZ3 LYS 31 -16.250 7.855 9.165
259 HN1 NH2 32 HN1 NH2 32 -11.452 8.140 4.249
260 HN2 NH2 32 HN2 NH2 32 -9.751 7.851 4.115
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 12.975 0.348 3.754
2 H2 ARG 1 HT2 ARG 1 13.736 -1.158 3.747
3 H3 ARG 1 HT3 ARG 1 13.820 -0.183 5.121
4 HA ARG 1 HA ARG 1 12.259 -1.963 5.446
5 HB2 ARG 1 HB2 ARG 1 11.067 0.800 5.183
6 HB3 ARG 1 HB1 ARG 1 10.243 -0.541 5.968
7 HG2 ARG 1 HG2 ARG 1 11.990 -0.701 7.620
8 HG3 ARG 1 HG1 ARG 1 12.919 0.554 6.803
9 HD2 ARG 1 HD2 ARG 1 11.187 2.185 7.276
10 HD3 ARG 1 HD1 ARG 1 10.182 0.937 8.017
11 HE ARG 1 HE ARG 1 12.319 0.725 9.532
12 HH11 ARG 1 HH11 ARG 1 10.773 3.652 8.369
13 HH12 ARG 1 HH12 ARG 1 11.267 4.600 9.734
14 HH21 ARG 1 HH21 ARG 1 12.509 3.653 11.412
15 HH22 ARG 1 HH22 ARG 1 12.960 1.979 11.326
16 HA PRO 2 HA PRO 2 10.439 -3.038 1.416
17 HB2 PRO 2 HB2 PRO 2 9.989 -5.574 2.858
18 HB3 PRO 2 HB1 PRO 2 10.809 -5.291 1.317
19 HG2 PRO 2 HG2 PRO 2 12.175 -5.953 3.522
20 HG3 PRO 2 HG1 PRO 2 12.829 -4.819 2.327
21 HD2 PRO 2 HD2 PRO 2 11.552 -4.247 4.980
22 HD3 PRO 2 HD1 PRO 2 12.981 -3.498 4.229
23 H PHE 3 HN PHE 3 8.534 -1.906 1.442
24 HA PHE 3 HA PHE 3 6.526 -2.469 3.457
25 HB2 PHE 3 HB2 PHE 3 6.561 -0.561 1.121
26 HB3 PHE 3 HB1 PHE 3 5.221 -0.712 2.248
27 HD1 PHE 3 HD1 PHE 3 8.250 0.933 1.538
28 HD2 PHE 3 HD2 PHE 3 5.782 -0.358 4.750
29 HE1 PHE 3 HE1 PHE 3 9.341 2.559 3.019
30 HE2 PHE 3 HE2 PHE 3 6.867 1.270 6.242
31 HZ PHE 3 HZ PHE 3 8.623 2.725 5.399
32 H NLE 4 HN NLE 4 4.470 -3.307 3.033
33 HA NLE 4 HA NLE 4 3.901 -4.357 0.401
34 HB2 NLE 4 HB1 NLE 4 4.214 -6.173 2.789
35 HB3 NLE 4 HB2 NLE 4 5.328 -6.079 1.438
36 HG2 NLE 4 HG1 NLE 4 3.570 -6.871 -0.067
37 HG3 NLE 4 HG2 NLE 4 2.456 -6.970 1.300
38 HD2 NLE 4 HD1 NLE 4 3.941 -8.609 2.378
39 HD3 NLE 4 HD2 NLE 4 5.022 -8.531 0.977
40 HE1 NLE 4 HE1 NLE 4 3.542 -10.457 0.816
41 HE2 NLE 4 HE2 NLE 4 3.190 -9.292 -0.461
42 HE3 NLE 4 HE3 NLE 4 2.136 -9.402 0.949
43 H CYS 5 HN CYS 5 1.790 -4.346 0.011
44 HA CYS 5 HA CYS 5 -0.101 -3.586 2.003
45 HB2 CYS 5 HB2 CYS 5 -0.547 -2.842 -0.200
46 HB3 CYS 5 HB1 CYS 5 -0.348 -4.455 -0.871
47 H THR 6 HN THR 6 -1.487 -4.843 3.152
48 HA THR 6 HA THR 6 -1.160 -7.747 2.828
49 HB THR 6 HB THR 6 -1.666 -7.821 5.333
50 HG1 THR 6 HG1 THR 6 -2.348 -5.592 5.473
51 HG21 THR 6 HG21 THR 6 0.673 -7.382 5.925
52 HG22 THR 6 HG22 THR 6 0.900 -6.535 4.395
53 HG23 THR 6 HG23 THR 6 0.552 -8.264 4.402
54 H TRP 7 HN TRP 7 -3.217 -5.898 1.716
55 HA TRP 7 HA TRP 7 -5.629 -6.671 3.133
56 HB2 TRP 7 HB2 TRP 7 -5.339 -4.404 2.077
57 HB3 TRP 7 HB1 TRP 7 -5.385 -5.195 0.505
58 HD1 TRP 7 HD1 TRP 7 -7.614 -4.004 3.309
59 HE1 TRP 7 HE1 TRP 7 -10.074 -4.311 2.643
60 HE3 TRP 7 HE3 TRP 7 -6.965 -6.801 -0.923
61 HZ2 TRP 7 HZ2 TRP 7 -11.552 -5.573 0.596
62 HZ3 TRP 7 HZ3 TRP 7 -8.959 -7.520 -2.170
63 HH2 TRP 7 HH2 TRP 7 -11.198 -6.921 -1.428
64 HA DPR 8 HA DPR 8 -7.451 -9.561 0.185
65 HB2 DPR 8 HB2 DPR 8 -8.426 -11.138 1.539
66 HB3 DPR 8 HB1 DPR 8 -6.978 -11.324 2.537
67 HG2 DPR 8 HG2 DPR 8 -9.061 -9.172 2.606
68 HG3 DPR 8 HG1 DPR 8 -8.302 -10.037 3.958
69 HD2 DPR 8 HD2 DPR 8 -7.526 -7.554 3.202
70 HD3 DPR 8 HD1 DPR 8 -6.393 -8.745 3.874
71 H GLY 9 HN GLY 9 -6.348 -10.603 -1.343
72 HA2 GLY 9 HA2 GLY 9 -3.822 -11.940 -0.621
73 HA3 GLY 9 HA1 GLY 9 -4.793 -12.311 -2.043
74 H CYS 10 HN CYS 10 -4.591 -9.019 -1.356
75 HA CYS 10 HA CYS 10 -3.147 -8.471 -3.762
76 HB2 CYS 10 HB2 CYS 10 -4.979 -7.039 -3.029
77 HB3 CYS 10 HB1 CYS 10 -4.131 -6.675 -1.534
78 H GLY 11 HN GLY 11 -1.027 -9.080 -3.682
79 HA2 GLY 11 HA2 GLY 11 0.539 -8.390 -1.300
80 HA3 GLY 11 HA1 GLY 11 0.995 -9.559 -2.527
81 H LYS 12 HN LYS 12 -0.073 -6.202 -2.842
82 HA LYS 12 HA LYS 12 2.005 -5.588 -4.696
83 HB2 LYS 12 HB2 LYS 12 -0.244 -4.492 -4.683
84 HB3 LYS 12 HB1 LYS 12 0.207 -3.677 -3.193
85 HG2 LYS 12 HG2 LYS 12 0.507 -2.157 -5.006
86 HG3 LYS 12 HG1 LYS 12 2.098 -2.627 -4.405
87 HD2 LYS 12 HD2 LYS 12 2.261 -4.276 -6.240
88 HD3 LYS 12 HD1 LYS 12 0.710 -3.704 -6.857
89 HE2 LYS 12 HE2 LYS 12 2.547 -2.680 -8.080
90 HE3 LYS 12 HE1 LYS 12 1.660 -1.467 -7.160
91 HZ1 LYS 12 HZ1 LYS 12 4.078 -1.194 -7.006
92 HZ2 LYS 12 HZ2 LYS 12 4.213 -2.720 -6.294
93 HZ3 LYS 12 HZ3 LYS 12 3.384 -1.486 -5.495
94 H ARG 13 HN ARG 13 3.996 -4.856 -4.317
95 HA ARG 13 HA ARG 13 4.736 -4.292 -1.534
96 HB2 ARG 13 HB2 ARG 13 6.364 -5.241 -3.888
97 HB3 ARG 13 HB1 ARG 13 7.071 -4.767 -2.349
98 HG2 ARG 13 HG2 ARG 13 5.966 -6.538 -1.206
99 HG3 ARG 13 HG1 ARG 13 4.997 -6.921 -2.631
100 HD2 ARG 13 HD2 ARG 13 6.822 -8.519 -2.356
101 HD3 ARG 13 HD1 ARG 13 7.014 -7.581 -3.835
102 HE ARG 13 HE ARG 13 8.487 -6.202 -2.034
103 HH11 ARG 13 HH11 ARG 13 10.078 -9.834 -2.689
104 HH12 ARG 13 HH12 ARG 13 8.390 -9.566 -2.985
105 HH21 ARG 13 HH21 ARG 13 10.717 -6.540 -1.653
106 HH22 ARG 13 HH22 ARG 13 11.404 -8.109 -1.931
107 H PHE 14 HN PHE 14 6.194 -2.585 -1.061
108 HA PHE 14 HA PHE 14 6.406 -0.476 -3.087
109 HB2 PHE 14 HB2 PHE 14 5.386 0.002 -0.284
110 HB3 PHE 14 HB1 PHE 14 5.540 1.197 -1.570
111 HD1 PHE 14 HD1 PHE 14 3.553 -1.477 -0.182
112 HD2 PHE 14 HD2 PHE 14 4.027 1.157 -3.478
113 HE1 PHE 14 HE1 PHE 14 1.244 -1.942 -0.883
114 HE2 PHE 14 HE2 PHE 14 1.717 0.702 -4.181
115 HZ PHE 14 HZ PHE 14 0.355 -0.925 -2.925
116 H THR 15 HN THR 15 8.015 1.090 -2.631
117 HA THR 15 HA THR 15 10.053 0.195 -0.725
118 HB THR 15 HB THR 15 11.486 1.899 -1.986
119 HG1 THR 15 HG1 THR 15 10.592 2.946 -3.596
120 HG21 THR 15 HG21 THR 15 10.393 -0.453 -3.543
121 HG22 THR 15 HG22 THR 15 11.689 -0.524 -2.349
122 HG23 THR 15 HG23 THR 15 11.921 0.371 -3.850
123 H ARG 16 HN ARG 16 7.639 2.523 -1.200
124 HA ARG 16 HA ARG 16 8.747 4.175 0.966
125 HB2 ARG 16 HB2 ARG 16 7.208 5.007 -1.487
126 HB3 ARG 16 HB1 ARG 16 7.382 6.053 -0.088
127 HG2 ARG 16 HG2 ARG 16 9.851 5.880 -0.361
128 HG3 ARG 16 HG1 ARG 16 9.562 5.005 -1.866
129 HD2 ARG 16 HD2 ARG 16 9.971 7.405 -2.240
130 HD3 ARG 16 HD1 ARG 16 8.371 6.900 -2.776
131 HE ARG 16 HE ARG 16 8.349 7.894 -0.096
132 HH11 ARG 16 HH11 ARG 16 8.351 8.865 -3.452
133 HH12 ARG 16 HH12 ARG 16 7.556 10.378 -3.151
134 HH21 ARG 16 HH21 ARG 16 7.276 9.868 0.312
135 HH22 ARG 16 HH22 ARG 16 6.949 10.951 -1.006
136 H SER 17 HN SER 17 7.375 4.827 2.576
137 HA SER 17 HA SER 17 5.095 3.197 3.064
138 HB2 SER 17 HB2 SER 17 4.872 4.678 5.108
139 HB3 SER 17 HB1 SER 17 6.426 3.856 4.940
140 HG SER 17 HG SER 17 6.135 6.358 5.332
141 H ASP 18 HN ASP 18 5.627 6.432 1.864
142 HA ASP 18 HA ASP 18 3.012 7.444 2.018
143 HB2 ASP 18 HB2 ASP 18 5.071 7.932 -0.155
144 HB3 ASP 18 HB1 ASP 18 3.628 8.900 0.117
145 H GLU 19 HN GLU 19 4.574 5.403 -0.378
146 HA GLU 19 HA GLU 19 2.378 5.345 -2.166
147 HB2 GLU 19 HB2 GLU 19 4.883 3.725 -1.889
148 HB3 GLU 19 HB1 GLU 19 3.629 3.260 -3.025
149 HG2 GLU 19 HG2 GLU 19 4.951 5.959 -2.989
150 HG3 GLU 19 HG1 GLU 19 5.445 4.618 -4.024
151 H LEU 20 HN LEU 20 3.473 3.234 0.448
152 HA LEU 20 HA LEU 20 1.544 1.226 0.078
153 HB2 LEU 20 HB2 LEU 20 3.407 0.825 1.525
154 HB3 LEU 20 HB1 LEU 20 2.956 2.159 2.567
155 HG LEU 20 HG LEU 20 0.979 0.944 3.323
156 HD11 LEU 20 HD11 LEU 20 1.937 -1.267 1.514
157 HD12 LEU 20 HD12 LEU 20 0.483 -0.295 1.288
158 HD13 LEU 20 HD13 LEU 20 0.612 -1.382 2.670
159 HD21 LEU 20 HD21 LEU 20 3.154 0.621 4.466
160 HD22 LEU 20 HD22 LEU 20 3.422 -0.815 3.476
161 HD23 LEU 20 HD23 LEU 20 2.073 -0.764 4.609
162 H GLN 21 HN GLN 21 1.463 4.171 2.082
163 HA GLN 21 HA GLN 21 -1.131 3.801 3.111
164 HB2 GLN 21 HB2 GLN 21 0.406 6.348 2.565
165 HB3 GLN 21 HB1 GLN 21 -1.107 6.281 3.459
166 HG2 GLN 21 HG2 GLN 21 -0.039 4.859 5.142
167 HG3 GLN 21 HG1 GLN 21 1.477 4.950 4.248
168 HE21 GLN 21 HE21 GLN 21 2.571 5.927 5.934
169 HE22 GLN 21 HE22 GLN 21 2.289 7.571 6.395
170 H ARG 22 HN ARG 22 0.012 5.676 0.340
171 HA ARG 22 HA ARG 22 -2.362 6.625 -0.681
172 HB2 ARG 22 HB2 ARG 22 -0.228 7.293 -1.583
173 HB3 ARG 22 HB1 ARG 22 0.124 5.653 -2.097
174 HG2 ARG 22 HG2 ARG 22 -1.693 5.789 -3.734
175 HG3 ARG 22 HG1 ARG 22 -2.009 7.451 -3.227
176 HD2 ARG 22 HD2 ARG 22 0.197 8.135 -3.925
177 HD3 ARG 22 HD1 ARG 22 0.641 6.469 -4.289
178 HE ARG 22 HE ARG 22 -1.630 7.510 -5.762
179 HH11 ARG 22 HH11 ARG 22 2.005 7.047 -7.413
180 HH12 ARG 22 HH12 ARG 22 1.826 6.908 -5.688
181 HH21 ARG 22 HH21 ARG 22 -1.391 7.683 -8.023
182 HH22 ARG 22 HH22 ARG 22 0.174 7.479 -8.741
183 H HIS 23 HN HIS 23 -0.727 3.613 -1.630
184 HA HIS 23 HA HIS 23 -2.715 2.645 -3.316
185 HB2 HIS 23 HB2 HIS 23 -0.586 1.631 -3.440
186 HB3 HIS 23 HB1 HIS 23 -0.564 1.279 -1.717
187 HD1 HIS 23 HD1 HIS 23 -1.493 -0.219 -4.980
188 HD2 HIS 23 HD2 HIS 23 -2.302 -0.843 -0.929
189 HE1 HIS 23 HE1 HIS 23 -2.545 -2.539 -4.786
190 H LYS 24 HN LYS 24 -2.215 2.108 0.152
191 HA LYS 24 HA LYS 24 -4.138 0.140 0.538
192 HB2 LYS 24 HB2 LYS 24 -2.416 0.864 2.202
193 HB3 LYS 24 HB1 LYS 24 -3.375 2.304 2.507
194 HG2 LYS 24 HG2 LYS 24 -3.885 0.817 4.247
195 HG3 LYS 24 HG1 LYS 24 -5.265 0.754 3.153
196 HD2 LYS 24 HD2 LYS 24 -4.747 -1.483 3.809
197 HD3 LYS 24 HD1 LYS 24 -4.259 -1.294 2.127
198 HE2 LYS 24 HE2 LYS 24 -2.558 -2.507 3.357
199 HE3 LYS 24 HE1 LYS 24 -1.936 -0.936 2.858
200 HZ1 LYS 24 HZ1 LYS 24 -1.330 -1.452 5.140
201 HZ2 LYS 24 HZ2 LYS 24 -2.957 -1.604 5.569
202 HZ3 LYS 24 HZ3 LYS 24 -2.350 -0.103 5.090
203 H ARG 25 HN ARG 25 -4.470 3.591 0.206
204 HA ARG 25 HA ARG 25 -7.051 3.845 1.309
205 HB2 ARG 25 HB2 ARG 25 -5.579 5.524 -0.712
206 HB3 ARG 25 HB1 ARG 25 -7.118 5.984 0.007
207 HG2 ARG 25 HG2 ARG 25 -6.137 6.023 2.202
208 HG3 ARG 25 HG1 ARG 25 -4.608 5.416 1.565
209 HD2 ARG 25 HD2 ARG 25 -4.405 7.459 0.191
210 HD3 ARG 25 HD1 ARG 25 -5.892 8.072 0.916
211 HE ARG 25 HE ARG 25 -4.470 7.654 3.096
212 HH11 ARG 25 HH11 ARG 25 -2.247 10.057 0.769
213 HH12 ARG 25 HH12 ARG 25 -3.489 9.076 0.055
214 HH21 ARG 25 HH21 ARG 25 -1.879 9.990 3.034
215 HH22 ARG 25 HH22 ARG 25 -2.841 8.955 4.043
216 H THR 26 HN THR 26 -6.037 2.447 -1.652
217 HA THR 26 HA THR 26 -8.456 2.916 -3.099
218 HB THR 26 HB THR 26 -7.734 1.157 -4.627
219 HG1 THR 26 HG1 THR 26 -5.446 0.740 -2.990
220 HG21 THR 26 HG21 THR 26 -5.610 2.119 -5.357
221 HG22 THR 26 HG22 THR 26 -5.431 2.921 -3.798
222 HG23 THR 26 HG23 THR 26 -6.744 3.381 -4.880
223 H HIS 27 HN HIS 27 -7.328 0.508 -0.817
224 HA HIS 27 HA HIS 27 -9.741 -1.088 -1.098
225 HB2 HIS 27 HB2 HIS 27 -7.614 -1.280 1.042
226 HB3 HIS 27 HB1 HIS 27 -8.833 -2.484 0.661
227 HD1 HIS 27 HD1 HIS 27 -8.475 -3.438 -2.038
228 HD2 HIS 27 HD2 HIS 27 -5.242 -1.895 0.096
229 HE1 HIS 27 HE1 HIS 27 -6.367 -4.425 -3.084
230 H THR 28 HN THR 28 -8.165 0.894 1.382
231 HA THR 28 HA THR 28 -10.783 1.369 2.620
232 HB THR 28 HB THR 28 -8.232 0.777 4.135
233 HG1 THR 28 HG1 THR 28 -10.276 -0.841 3.176
234 HG21 THR 28 HG21 THR 28 -9.674 0.730 6.100
235 HG22 THR 28 HG22 THR 28 -11.075 1.111 5.100
236 HG23 THR 28 HG23 THR 28 -9.783 2.296 5.295
237 H GLY 29 HN GLY 29 -10.861 3.458 1.763
238 HA2 GLY 29 HA2 GLY 29 -8.971 5.329 3.031
239 HA3 GLY 29 HA1 GLY 29 -9.432 5.519 1.346
240 H GLU 30 HN GLU 30 -12.076 5.055 1.369
241 HA GLU 30 HA GLU 30 -13.097 7.351 2.833
242 HB2 GLU 30 HB2 GLU 30 -13.562 6.926 0.361
243 HB3 GLU 30 HB1 GLU 30 -14.619 5.624 0.889
244 HG2 GLU 30 HG2 GLU 30 -15.863 7.662 0.423
245 HG3 GLU 30 HG1 GLU 30 -15.988 7.196 2.119
246 H LYS 31 HN LYS 31 -13.611 3.878 2.525
247 HA LYS 31 HA LYS 31 -15.056 3.936 5.082
248 HB2 LYS 31 HB2 LYS 31 -16.638 3.584 3.203
249 HB3 LYS 31 HB1 LYS 31 -15.719 2.165 2.724
250 HG2 LYS 31 HG2 LYS 31 -16.234 1.126 4.894
251 HG3 LYS 31 HG1 LYS 31 -17.212 2.535 5.313
252 HD2 LYS 31 HD2 LYS 31 -18.642 2.099 3.363
253 HD3 LYS 31 HD1 LYS 31 -17.680 0.667 2.991
254 HE2 LYS 31 HE2 LYS 31 -18.284 -0.275 5.185
255 HE3 LYS 31 HE1 LYS 31 -19.295 1.135 5.495
256 HZ1 LYS 31 HZ1 LYS 31 -20.656 0.540 3.593
257 HZ2 LYS 31 HZ2 LYS 31 -20.593 -0.741 4.691
258 HZ3 LYS 31 HZ3 LYS 31 -19.676 -0.799 3.274
259 HN1 NH2 32 HN1 NH2 32 -13.445 3.200 6.346
260 HN2 NH2 32 HN2 NH2 32 -12.629 1.688 6.130
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 14.143 -0.411 3.100
2 H2 ARG 1 HT2 ARG 1 14.350 0.866 4.185
3 H3 ARG 1 HT3 ARG 1 13.320 1.043 2.859
4 HA ARG 1 HA ARG 1 12.922 -0.820 5.115
5 HB2 ARG 1 HB2 ARG 1 11.439 1.711 4.368
6 HB3 ARG 1 HB1 ARG 1 10.994 0.618 5.670
7 HG2 ARG 1 HG2 ARG 1 13.144 1.104 6.773
8 HG3 ARG 1 HG1 ARG 1 13.513 2.259 5.493
9 HD2 ARG 1 HD2 ARG 1 11.499 3.543 6.092
10 HD3 ARG 1 HD1 ARG 1 11.172 2.401 7.396
11 HE ARG 1 HE ARG 1 13.788 3.499 7.610
12 HH11 ARG 1 HH11 ARG 1 10.416 4.226 8.208
13 HH12 ARG 1 HH12 ARG 1 10.757 5.371 9.465
14 HH21 ARG 1 HH21 ARG 1 12.927 5.813 10.072
15 HH22 ARG 1 HH22 ARG 1 14.238 5.005 9.275
16 HA PRO 2 HA PRO 2 10.599 -2.809 1.851
17 HB2 PRO 2 HB2 PRO 2 10.056 -5.090 3.165
18 HB3 PRO 2 HB1 PRO 2 11.675 -4.733 2.544
19 HG2 PRO 2 HG2 PRO 2 10.614 -4.480 5.330
20 HG3 PRO 2 HG1 PRO 2 12.183 -5.095 4.782
21 HD2 PRO 2 HD2 PRO 2 11.786 -2.559 5.756
22 HD3 PRO 2 HD1 PRO 2 13.089 -2.996 4.630
23 H PHE 3 HN PHE 3 8.589 -2.093 1.443
24 HA PHE 3 HA PHE 3 6.563 -2.435 3.553
25 HB2 PHE 3 HB2 PHE 3 6.664 -0.428 1.293
26 HB3 PHE 3 HB1 PHE 3 5.288 -0.643 2.371
27 HD1 PHE 3 HD1 PHE 3 8.442 0.960 1.890
28 HD2 PHE 3 HD2 PHE 3 5.648 -0.281 4.847
29 HE1 PHE 3 HE1 PHE 3 9.466 2.511 3.499
30 HE2 PHE 3 HE2 PHE 3 6.666 1.268 6.465
31 HZ PHE 3 HZ PHE 3 8.579 2.667 5.792
32 H NLE 4 HN NLE 4 4.569 -3.324 2.980
33 HA NLE 4 HA NLE 4 4.120 -4.244 0.278
34 HB2 NLE 4 HB1 NLE 4 4.475 -6.210 2.542
35 HB3 NLE 4 HB2 NLE 4 5.634 -5.947 1.251
36 HG2 NLE 4 HG1 NLE 4 4.029 -6.742 -0.387
37 HG3 NLE 4 HG2 NLE 4 2.824 -6.965 0.886
38 HD2 NLE 4 HD1 NLE 4 4.265 -8.622 1.967
39 HD3 NLE 4 HD2 NLE 4 5.481 -8.391 0.701
40 HE1 NLE 4 HE1 NLE 4 3.884 -9.149 -0.978
41 HE2 NLE 4 HE2 NLE 4 2.662 -9.364 0.274
42 HE3 NLE 4 HE3 NLE 4 4.108 -10.371 0.274
43 H CYS 5 HN CYS 5 1.971 -4.531 -0.123
44 HA CYS 5 HA CYS 5 0.105 -3.843 1.945
45 HB2 CYS 5 HB2 CYS 5 -0.400 -3.071 -0.260
46 HB3 CYS 5 HB1 CYS 5 -0.265 -4.693 -0.928
47 H THR 6 HN THR 6 -1.034 -5.165 3.207
48 HA THR 6 HA THR 6 -0.663 -8.054 2.808
49 HB THR 6 HB THR 6 0.392 -7.242 4.853
50 HG1 THR 6 HG1 THR 6 -1.904 -8.880 5.075
51 HG21 THR 6 HG21 THR 6 -0.996 -5.263 5.233
52 HG22 THR 6 HG22 THR 6 -0.927 -6.276 6.676
53 HG23 THR 6 HG23 THR 6 -2.362 -6.295 5.651
54 H TRP 7 HN TRP 7 -2.831 -6.066 1.873
55 HA TRP 7 HA TRP 7 -5.189 -7.056 3.214
56 HB2 TRP 7 HB2 TRP 7 -5.031 -4.725 2.301
57 HB3 TRP 7 HB1 TRP 7 -5.014 -5.409 0.679
58 HD1 TRP 7 HD1 TRP 7 -7.340 -4.491 3.499
59 HE1 TRP 7 HE1 TRP 7 -9.772 -4.899 2.779
60 HE3 TRP 7 HE3 TRP 7 -6.485 -7.049 -0.844
61 HZ2 TRP 7 HZ2 TRP 7 -11.150 -6.151 0.652
62 HZ3 TRP 7 HZ3 TRP 7 -8.413 -7.816 -2.158
63 HH2 TRP 7 HH2 TRP 7 -10.695 -7.376 -1.426
64 HA DPR 8 HA DPR 8 -7.049 -9.841 0.235
65 HB2 DPR 8 HB2 DPR 8 -7.708 -11.633 1.508
66 HB3 DPR 8 HB1 DPR 8 -6.148 -11.753 2.336
67 HG2 DPR 8 HG2 DPR 8 -8.404 -9.839 2.808
68 HG3 DPR 8 HG1 DPR 8 -7.417 -10.718 3.992
69 HD2 DPR 8 HD2 DPR 8 -6.986 -8.110 3.343
70 HD3 DPR 8 HD1 DPR 8 -5.690 -9.208 3.858
71 H GLY 9 HN GLY 9 -6.203 -10.851 -1.465
72 HA2 GLY 9 HA2 GLY 9 -3.529 -12.042 -1.283
73 HA3 GLY 9 HA1 GLY 9 -4.679 -12.283 -2.594
74 H CYS 10 HN CYS 10 -4.185 -9.124 -1.338
75 HA CYS 10 HA CYS 10 -3.107 -8.255 -3.892
76 HB2 CYS 10 HB2 CYS 10 -5.014 -7.066 -2.903
77 HB3 CYS 10 HB1 CYS 10 -4.052 -6.697 -1.478
78 H GLY 11 HN GLY 11 -1.090 -9.502 -3.267
79 HA2 GLY 11 HA2 GLY 11 0.565 -8.315 -1.208
80 HA3 GLY 11 HA1 GLY 11 0.975 -9.694 -2.217
81 H LYS 12 HN LYS 12 0.244 -6.246 -2.705
82 HA LYS 12 HA LYS 12 2.315 -6.077 -4.731
83 HB2 LYS 12 HB2 LYS 12 0.167 -4.908 -5.075
84 HB3 LYS 12 HB1 LYS 12 0.472 -3.935 -3.641
85 HG2 LYS 12 HG2 LYS 12 2.306 -2.838 -4.675
86 HG3 LYS 12 HG1 LYS 12 2.281 -3.954 -6.043
87 HD2 LYS 12 HD2 LYS 12 0.112 -3.102 -6.729
88 HD3 LYS 12 HD1 LYS 12 0.066 -2.034 -5.326
89 HE2 LYS 12 HE2 LYS 12 0.716 -0.833 -7.356
90 HE3 LYS 12 HE1 LYS 12 2.003 -0.823 -6.155
91 HZ1 LYS 12 HZ1 LYS 12 2.862 -1.252 -8.361
92 HZ2 LYS 12 HZ2 LYS 12 1.858 -2.603 -8.529
93 HZ3 LYS 12 HZ3 LYS 12 3.094 -2.608 -7.378
94 H ARG 13 HN ARG 13 4.244 -5.034 -4.518
95 HA ARG 13 HA ARG 13 5.064 -4.551 -1.748
96 HB2 ARG 13 HB2 ARG 13 6.681 -5.134 -4.228
97 HB3 ARG 13 HB1 ARG 13 7.373 -4.820 -2.643
98 HG2 ARG 13 HG2 ARG 13 6.354 -6.796 -1.740
99 HG3 ARG 13 HG1 ARG 13 5.467 -7.068 -3.241
100 HD2 ARG 13 HD2 ARG 13 7.569 -7.397 -4.433
101 HD3 ARG 13 HD1 ARG 13 8.471 -7.099 -2.947
102 HE ARG 13 HE ARG 13 7.050 -9.132 -2.141
103 HH11 ARG 13 HH11 ARG 13 8.732 -10.370 -5.573
104 HH12 ARG 13 HH12 ARG 13 8.496 -8.676 -5.293
105 HH21 ARG 13 HH21 ARG 13 7.355 -11.373 -2.506
106 HH22 ARG 13 HH22 ARG 13 8.083 -11.903 -3.987
107 H PHE 14 HN PHE 14 6.233 -2.764 -1.130
108 HA PHE 14 HA PHE 14 6.502 -0.555 -3.037
109 HB2 PHE 14 HB2 PHE 14 5.255 -0.310 -0.291
110 HB3 PHE 14 HB1 PHE 14 5.551 1.016 -1.414
111 HD1 PHE 14 HD1 PHE 14 3.413 -1.785 -0.572
112 HD2 PHE 14 HD2 PHE 14 4.219 1.242 -3.439
113 HE1 PHE 14 HE1 PHE 14 1.183 -2.127 -1.549
114 HE2 PHE 14 HE2 PHE 14 1.988 0.912 -4.422
115 HZ PHE 14 HZ PHE 14 0.504 -0.842 -3.527
116 H THR 15 HN THR 15 8.093 0.992 -2.416
117 HA THR 15 HA THR 15 9.929 0.050 -0.320
118 HB THR 15 HB THR 15 10.565 1.957 -2.580
119 HG1 THR 15 HG1 THR 15 10.366 -0.822 -2.507
120 HG21 THR 15 HG21 THR 15 12.352 0.289 -0.797
121 HG22 THR 15 HG22 THR 15 12.105 2.029 -0.658
122 HG23 THR 15 HG23 THR 15 12.889 1.361 -2.089
123 H ARG 16 HN ARG 16 7.649 2.393 -1.089
124 HA ARG 16 HA ARG 16 8.691 4.191 0.996
125 HB2 ARG 16 HB2 ARG 16 6.888 4.915 -1.321
126 HB3 ARG 16 HB1 ARG 16 7.538 6.026 -0.124
127 HG2 ARG 16 HG2 ARG 16 9.784 5.623 -0.944
128 HG3 ARG 16 HG1 ARG 16 9.159 4.458 -2.116
129 HD2 ARG 16 HD2 ARG 16 7.785 6.258 -3.101
130 HD3 ARG 16 HD1 ARG 16 8.523 7.400 -1.984
131 HE ARG 16 HE ARG 16 10.595 6.156 -3.345
132 HH11 ARG 16 HH11 ARG 16 7.858 8.204 -4.067
133 HH12 ARG 16 HH12 ARG 16 8.601 8.947 -5.445
134 HH21 ARG 16 HH21 ARG 16 11.590 7.137 -5.177
135 HH22 ARG 16 HH22 ARG 16 10.718 8.340 -6.078
136 H SER 17 HN SER 17 7.362 4.639 2.685
137 HA SER 17 HA SER 17 5.072 3.021 3.112
138 HB2 SER 17 HB2 SER 17 4.801 4.448 5.177
139 HB3 SER 17 HB1 SER 17 6.385 3.684 5.012
140 HG SER 17 HG SER 17 5.931 6.206 5.385
141 H ASP 18 HN ASP 18 5.581 6.338 2.117
142 HA ASP 18 HA ASP 18 2.936 7.265 2.233
143 HB2 ASP 18 HB2 ASP 18 4.798 8.783 1.880
144 HB3 ASP 18 HB1 ASP 18 5.178 8.012 0.343
145 H GLU 19 HN GLU 19 4.684 5.550 -0.299
146 HA GLU 19 HA GLU 19 2.683 5.528 -2.250
147 HB2 GLU 19 HB2 GLU 19 4.972 3.677 -1.649
148 HB3 GLU 19 HB1 GLU 19 3.853 3.353 -2.959
149 HG2 GLU 19 HG2 GLU 19 5.378 5.923 -2.710
150 HG3 GLU 19 HG1 GLU 19 5.974 4.523 -3.598
151 H LEU 20 HN LEU 20 3.422 3.265 0.361
152 HA LEU 20 HA LEU 20 1.352 1.438 -0.208
153 HB2 LEU 20 HB2 LEU 20 3.214 0.812 1.189
154 HB3 LEU 20 HB1 LEU 20 2.801 2.048 2.362
155 HG LEU 20 HG LEU 20 0.751 0.839 2.941
156 HD11 LEU 20 HD11 LEU 20 1.713 -1.171 0.914
157 HD12 LEU 20 HD12 LEU 20 0.233 -0.213 0.839
158 HD13 LEU 20 HD13 LEU 20 0.419 -1.454 2.077
159 HD21 LEU 20 HD21 LEU 20 2.856 0.364 4.136
160 HD22 LEU 20 HD22 LEU 20 3.173 -0.954 3.007
161 HD23 LEU 20 HD23 LEU 20 1.777 -1.029 4.079
162 H GLN 21 HN GLN 21 1.450 4.365 1.779
163 HA GLN 21 HA GLN 21 -1.100 4.080 2.947
164 HB2 GLN 21 HB2 GLN 21 0.459 6.585 2.283
165 HB3 GLN 21 HB1 GLN 21 -1.003 6.557 3.259
166 HG2 GLN 21 HG2 GLN 21 0.120 5.153 4.909
167 HG3 GLN 21 HG1 GLN 21 1.584 5.166 3.927
168 HE21 GLN 21 HE21 GLN 21 -0.453 6.973 6.054
169 HE22 GLN 21 HE22 GLN 21 0.619 8.308 6.283
170 H ARG 22 HN ARG 22 -0.053 5.852 0.048
171 HA ARG 22 HA ARG 22 -2.530 6.738 -0.854
172 HB2 ARG 22 HB2 ARG 22 -0.185 5.767 -2.503
173 HB3 ARG 22 HB1 ARG 22 -1.535 6.695 -3.128
174 HG2 ARG 22 HG2 ARG 22 -0.903 8.588 -1.740
175 HG3 ARG 22 HG1 ARG 22 0.427 7.649 -1.052
176 HD2 ARG 22 HD2 ARG 22 1.424 7.428 -3.284
177 HD3 ARG 22 HD1 ARG 22 0.101 8.369 -3.970
178 HE ARG 22 HE ARG 22 1.490 9.756 -1.883
179 HH11 ARG 22 HH11 ARG 22 2.544 10.313 -5.722
180 HH12 ARG 22 HH12 ARG 22 1.606 8.924 -5.278
181 HH21 ARG 22 HH21 ARG 22 2.723 11.591 -2.457
182 HH22 ARG 22 HH22 ARG 22 3.178 11.836 -4.111
183 H HIS 23 HN HIS 23 -0.839 3.712 -1.564
184 HA HIS 23 HA HIS 23 -2.754 2.560 -3.225
185 HB2 HIS 23 HB2 HIS 23 -0.557 1.622 -3.131
186 HB3 HIS 23 HB1 HIS 23 -0.689 1.332 -1.402
187 HD1 HIS 23 HD1 HIS 23 -1.514 -0.194 -4.715
188 HD2 HIS 23 HD2 HIS 23 -2.302 -0.842 -0.665
189 HE1 HIS 23 HE1 HIS 23 -2.544 -2.521 -4.529
190 H LYS 24 HN LYS 24 -2.328 2.288 0.281
191 HA LYS 24 HA LYS 24 -4.306 0.424 0.818
192 HB2 LYS 24 HB2 LYS 24 -2.722 0.968 2.494
193 HB3 LYS 24 HB1 LYS 24 -3.138 2.671 2.446
194 HG2 LYS 24 HG2 LYS 24 -3.955 1.652 4.468
195 HG3 LYS 24 HG1 LYS 24 -5.299 2.177 3.460
196 HD2 LYS 24 HD2 LYS 24 -5.751 -0.073 2.772
197 HD3 LYS 24 HD1 LYS 24 -4.273 -0.660 3.538
198 HE2 LYS 24 HE2 LYS 24 -5.131 -0.195 5.718
199 HE3 LYS 24 HE1 LYS 24 -6.516 0.666 5.052
200 HZ1 LYS 24 HZ1 LYS 24 -6.986 -1.621 5.851
201 HZ2 LYS 24 HZ2 LYS 24 -6.020 -2.224 4.602
202 HZ3 LYS 24 HZ3 LYS 24 -7.424 -1.351 4.244
203 H ARG 25 HN ARG 25 -4.609 3.796 0.041
204 HA ARG 25 HA ARG 25 -7.173 4.264 1.105
205 HB2 ARG 25 HB2 ARG 25 -5.809 5.514 -1.275
206 HB3 ARG 25 HB1 ARG 25 -7.283 6.125 -0.537
207 HG2 ARG 25 HG2 ARG 25 -6.015 6.377 1.595
208 HG3 ARG 25 HG1 ARG 25 -4.555 5.946 0.702
209 HD2 ARG 25 HD2 ARG 25 -6.350 8.313 0.164
210 HD3 ARG 25 HD1 ARG 25 -4.740 8.363 0.881
211 HE ARG 25 HE ARG 25 -4.837 7.156 -1.741
212 HH11 ARG 25 HH11 ARG 25 -3.701 10.971 -1.226
213 HH12 ARG 25 HH12 ARG 25 -4.517 10.135 0.053
214 HH21 ARG 25 HH21 ARG 25 -3.270 9.903 -3.212
215 HH22 ARG 25 HH22 ARG 25 -3.770 8.256 -3.444
216 H THR 26 HN THR 26 -6.206 2.357 -1.578
217 HA THR 26 HA THR 26 -8.704 2.511 -2.985
218 HB THR 26 HB THR 26 -7.904 0.593 -4.285
219 HG1 THR 26 HG1 THR 26 -5.529 0.643 -2.717
220 HG21 THR 26 HG21 THR 26 -5.760 2.675 -3.851
221 HG22 THR 26 HG22 THR 26 -7.156 2.835 -4.916
222 HG23 THR 26 HG23 THR 26 -5.915 1.632 -5.263
223 H HIS 27 HN HIS 27 -7.375 0.601 -0.403
224 HA HIS 27 HA HIS 27 -9.622 -1.250 -0.440
225 HB2 HIS 27 HB2 HIS 27 -7.326 -1.042 1.520
226 HB3 HIS 27 HB1 HIS 27 -8.505 -2.344 1.449
227 HD1 HIS 27 HD1 HIS 27 -8.463 -3.446 -1.274
228 HD2 HIS 27 HD2 HIS 27 -5.029 -1.831 0.461
229 HE1 HIS 27 HE1 HIS 27 -6.472 -4.459 -2.507
230 H THR 28 HN THR 28 -8.273 1.318 1.569
231 HA THR 28 HA THR 28 -10.861 1.513 2.956
232 HB THR 28 HB THR 28 -8.185 2.166 4.200
233 HG1 THR 28 HG1 THR 28 -9.761 -0.206 4.413
234 HG21 THR 28 HG21 THR 28 -10.115 3.290 5.195
235 HG22 THR 28 HG22 THR 28 -9.469 2.073 6.295
236 HG23 THR 28 HG23 THR 28 -10.935 1.742 5.377
237 H GLY 29 HN GLY 29 -11.810 3.382 2.381
238 HA2 GLY 29 HA2 GLY 29 -11.747 5.809 2.513
239 HA3 GLY 29 HA1 GLY 29 -10.081 5.733 1.956
240 H GLU 30 HN GLU 30 -12.106 3.519 0.432
241 HA GLU 30 HA GLU 30 -12.000 4.990 -2.059
242 HB2 GLU 30 HB2 GLU 30 -11.597 2.542 -2.010
243 HB3 GLU 30 HB1 GLU 30 -13.244 2.300 -1.444
244 HG2 GLU 30 HG2 GLU 30 -13.207 1.831 -3.766
245 HG3 GLU 30 HG1 GLU 30 -14.049 3.363 -3.546
246 H LYS 31 HN LYS 31 -14.412 3.839 0.227
247 HA LYS 31 HA LYS 31 -16.565 5.150 -1.213
248 HB2 LYS 31 HB2 LYS 31 -16.937 2.942 -0.177
249 HB3 LYS 31 HB1 LYS 31 -16.576 3.625 1.400
250 HG2 LYS 31 HG2 LYS 31 -18.526 5.120 1.164
251 HG3 LYS 31 HG1 LYS 31 -18.905 4.334 -0.371
252 HD2 LYS 31 HD2 LYS 31 -19.165 2.199 0.771
253 HD3 LYS 31 HD1 LYS 31 -18.737 2.954 2.307
254 HE2 LYS 31 HE2 LYS 31 -21.137 3.620 0.605
255 HE3 LYS 31 HE1 LYS 31 -21.158 2.677 2.093
256 HZ1 LYS 31 HZ1 LYS 31 -21.814 4.901 2.579
257 HZ2 LYS 31 HZ2 LYS 31 -20.457 5.545 1.811
258 HZ3 LYS 31 HZ3 LYS 31 -20.279 4.666 3.242
259 HN1 NH2 32 HN1 NH2 32 -16.030 7.311 -1.028
260 HN2 NH2 32 HN2 NH2 32 -16.068 8.176 0.471
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 14.507 1.132 4.508
2 H2 ARG 1 HT2 ARG 1 13.083 1.684 3.781
3 H3 ARG 1 HT3 ARG 1 14.222 0.835 2.870
4 HA ARG 1 HA ARG 1 13.845 -1.152 4.120
5 HB2 ARG 1 HB2 ARG 1 12.071 -1.241 5.801
6 HB3 ARG 1 HB1 ARG 1 13.301 -0.074 6.259
7 HG2 ARG 1 HG2 ARG 1 11.876 1.749 5.541
8 HG3 ARG 1 HG1 ARG 1 10.655 0.601 4.987
9 HD2 ARG 1 HD2 ARG 1 10.031 1.474 7.159
10 HD3 ARG 1 HD1 ARG 1 10.439 -0.239 7.295
11 HE ARG 1 HE ARG 1 12.645 1.520 7.844
12 HH11 ARG 1 HH11 ARG 1 9.860 -0.110 9.199
13 HH12 ARG 1 HH12 ARG 1 10.470 -0.074 10.823
14 HH21 ARG 1 HH21 ARG 1 12.504 0.899 11.268
15 HH22 ARG 1 HH22 ARG 1 13.446 1.582 9.980
16 HA PRO 2 HA PRO 2 10.662 -1.779 1.106
17 HB2 PRO 2 HB2 PRO 2 10.201 -4.398 1.408
18 HB3 PRO 2 HB1 PRO 2 11.754 -3.801 0.796
19 HG2 PRO 2 HG2 PRO 2 11.037 -4.777 3.529
20 HG3 PRO 2 HG1 PRO 2 12.520 -5.045 2.594
21 HD2 PRO 2 HD2 PRO 2 12.225 -3.146 4.603
22 HD3 PRO 2 HD1 PRO 2 13.462 -3.102 3.332
23 H PHE 3 HN PHE 3 8.454 -1.962 0.886
24 HA PHE 3 HA PHE 3 6.895 -2.378 3.346
25 HB2 PHE 3 HB2 PHE 3 6.500 -0.302 1.188
26 HB3 PHE 3 HB1 PHE 3 5.290 -0.679 2.407
27 HD1 PHE 3 HD1 PHE 3 8.437 0.962 1.711
28 HD2 PHE 3 HD2 PHE 3 5.681 -0.121 4.759
29 HE1 PHE 3 HE1 PHE 3 9.502 2.571 3.237
30 HE2 PHE 3 HE2 PHE 3 6.739 1.480 6.294
31 HZ PHE 3 HZ PHE 3 8.651 2.809 5.559
32 H NLE 4 HN NLE 4 4.797 -3.302 3.030
33 HA NLE 4 HA NLE 4 4.131 -4.231 0.366
34 HB2 NLE 4 HB1 NLE 4 4.716 -6.133 2.634
35 HB3 NLE 4 HB2 NLE 4 5.650 -5.961 1.158
36 HG2 NLE 4 HG1 NLE 4 3.718 -6.748 -0.140
37 HG3 NLE 4 HG2 NLE 4 2.818 -6.963 1.363
38 HD2 NLE 4 HD1 NLE 4 4.530 -8.572 2.127
39 HD3 NLE 4 HD2 NLE 4 5.354 -8.400 0.570
40 HE1 NLE 4 HE1 NLE 4 3.325 -9.178 -0.570
41 HE2 NLE 4 HE2 NLE 4 2.533 -9.382 0.992
42 HE3 NLE 4 HE3 NLE 4 3.931 -10.375 0.574
43 H CYS 5 HN CYS 5 1.996 -4.331 0.070
44 HA CYS 5 HA CYS 5 0.208 -3.933 2.304
45 HB2 CYS 5 HB2 CYS 5 -0.362 -2.758 0.302
46 HB3 CYS 5 HB1 CYS 5 -0.227 -4.220 -0.666
47 H THR 6 HN THR 6 -1.064 -5.466 3.224
48 HA THR 6 HA THR 6 -1.032 -8.137 2.014
49 HB THR 6 HB THR 6 0.649 -8.084 3.810
50 HG1 THR 6 HG1 THR 6 -1.119 -9.887 3.467
51 HG21 THR 6 HG21 THR 6 -1.659 -7.380 5.617
52 HG22 THR 6 HG22 THR 6 -0.292 -6.342 5.214
53 HG23 THR 6 HG23 THR 6 -0.036 -7.813 6.152
54 H TRP 7 HN TRP 7 -2.990 -6.063 1.901
55 HA TRP 7 HA TRP 7 -5.113 -6.747 3.733
56 HB2 TRP 7 HB2 TRP 7 -4.735 -4.424 2.824
57 HB3 TRP 7 HB1 TRP 7 -5.251 -5.020 1.251
58 HD1 TRP 7 HD1 TRP 7 -6.584 -3.928 4.615
59 HE1 TRP 7 HE1 TRP 7 -9.146 -3.809 4.526
60 HE3 TRP 7 HE3 TRP 7 -7.337 -6.167 0.081
61 HZ2 TRP 7 HZ2 TRP 7 -11.217 -4.566 2.768
62 HZ3 TRP 7 HZ3 TRP 7 -9.647 -6.435 -0.725
63 HH2 TRP 7 HH2 TRP 7 -11.541 -5.652 0.588
64 HA DPR 8 HA DPR 8 -7.980 -8.968 1.019
65 HB2 DPR 8 HB2 DPR 8 -8.993 -10.447 2.446
66 HB3 DPR 8 HB1 DPR 8 -7.457 -11.007 3.118
67 HG2 DPR 8 HG2 DPR 8 -9.017 -8.536 3.763
68 HG3 DPR 8 HG1 DPR 8 -8.191 -9.656 4.863
69 HD2 DPR 8 HD2 DPR 8 -7.117 -7.281 4.128
70 HD3 DPR 8 HD1 DPR 8 -6.124 -8.711 4.471
71 H GLY 9 HN GLY 9 -7.225 -9.873 -0.794
72 HA2 GLY 9 HA2 GLY 9 -5.150 -11.953 -0.569
73 HA3 GLY 9 HA1 GLY 9 -6.302 -11.814 -1.892
74 H CYS 10 HN CYS 10 -5.080 -8.854 -0.860
75 HA CYS 10 HA CYS 10 -3.554 -8.562 -3.314
76 HB2 CYS 10 HB2 CYS 10 -5.139 -6.826 -2.733
77 HB3 CYS 10 HB1 CYS 10 -4.395 -6.618 -1.156
78 H GLY 11 HN GLY 11 -1.356 -8.077 -3.392
79 HA2 GLY 11 HA2 GLY 11 0.144 -7.950 -0.891
80 HA3 GLY 11 HA1 GLY 11 0.469 -9.320 -1.942
81 H LYS 12 HN LYS 12 -0.187 -5.935 -2.758
82 HA LYS 12 HA LYS 12 2.008 -5.886 -4.598
83 HB2 LYS 12 HB2 LYS 12 -0.128 -4.642 -4.964
84 HB3 LYS 12 HB1 LYS 12 0.302 -3.581 -3.629
85 HG2 LYS 12 HG2 LYS 12 2.147 -2.687 -4.810
86 HG3 LYS 12 HG1 LYS 12 2.032 -3.925 -6.064
87 HD2 LYS 12 HD2 LYS 12 -0.164 -3.024 -6.722
88 HD3 LYS 12 HD1 LYS 12 -0.003 -1.767 -5.495
89 HE2 LYS 12 HE2 LYS 12 1.959 -0.885 -6.625
90 HE3 LYS 12 HE1 LYS 12 1.878 -2.179 -7.819
91 HZ1 LYS 12 HZ1 LYS 12 -0.238 -0.149 -7.391
92 HZ2 LYS 12 HZ2 LYS 12 -0.208 -1.326 -8.601
93 HZ3 LYS 12 HZ3 LYS 12 0.929 -0.074 -8.608
94 H ARG 13 HN ARG 13 3.957 -4.854 -4.405
95 HA ARG 13 HA ARG 13 4.709 -4.235 -1.632
96 HB2 ARG 13 HB2 ARG 13 6.420 -5.312 -3.873
97 HB3 ARG 13 HB1 ARG 13 6.966 -4.991 -2.232
98 HG2 ARG 13 HG2 ARG 13 5.476 -6.687 -1.367
99 HG3 ARG 13 HG1 ARG 13 4.828 -6.969 -2.982
100 HD2 ARG 13 HD2 ARG 13 7.058 -7.682 -3.731
101 HD3 ARG 13 HD1 ARG 13 7.672 -7.438 -2.095
102 HE ARG 13 HE ARG 13 5.452 -9.305 -2.530
103 HH11 ARG 13 HH11 ARG 13 9.023 -10.344 -1.007
104 HH12 ARG 13 HH12 ARG 13 8.813 -8.763 -1.687
105 HH21 ARG 13 HH21 ARG 13 5.731 -11.380 -1.649
106 HH22 ARG 13 HH22 ARG 13 7.270 -11.838 -0.987
107 H PHE 14 HN PHE 14 6.095 -2.547 -1.196
108 HA PHE 14 HA PHE 14 6.651 -0.638 -3.355
109 HB2 PHE 14 HB2 PHE 14 5.439 0.132 -0.691
110 HB3 PHE 14 HB1 PHE 14 5.795 1.208 -2.040
111 HD1 PHE 14 HD1 PHE 14 3.499 -1.250 -0.684
112 HD2 PHE 14 HD2 PHE 14 4.414 1.187 -4.045
113 HE1 PHE 14 HE1 PHE 14 1.219 -1.586 -1.542
114 HE2 PHE 14 HE2 PHE 14 2.133 0.859 -4.911
115 HZ PHE 14 HZ PHE 14 0.579 -0.621 -3.728
116 H THR 15 HN THR 15 8.068 1.204 -2.363
117 HA THR 15 HA THR 15 9.865 0.068 -0.322
118 HB THR 15 HB THR 15 10.787 1.974 -2.472
119 HG1 THR 15 HG1 THR 15 9.907 -0.031 -3.371
120 HG21 THR 15 HG21 THR 15 12.215 1.669 -0.470
121 HG22 THR 15 HG22 THR 15 12.989 1.079 -1.940
122 HG23 THR 15 HG23 THR 15 12.276 -0.063 -0.801
123 H ARG 16 HN ARG 16 7.601 2.332 -0.903
124 HA ARG 16 HA ARG 16 8.716 4.146 1.111
125 HB2 ARG 16 HB2 ARG 16 7.217 4.886 -1.406
126 HB3 ARG 16 HB1 ARG 16 7.488 6.006 -0.078
127 HG2 ARG 16 HG2 ARG 16 9.712 4.613 -1.532
128 HG3 ARG 16 HG1 ARG 16 9.068 6.182 -2.022
129 HD2 ARG 16 HD2 ARG 16 10.266 5.532 0.673
130 HD3 ARG 16 HD1 ARG 16 11.077 6.406 -0.626
131 HE ARG 16 HE ARG 16 8.620 7.661 0.036
132 HH11 ARG 16 HH11 ARG 16 11.901 7.238 1.187
133 HH12 ARG 16 HH12 ARG 16 11.908 8.721 2.089
134 HH21 ARG 16 HH21 ARG 16 8.639 9.624 1.211
135 HH22 ARG 16 HH22 ARG 16 10.058 10.071 2.109
136 H SER 17 HN SER 17 7.356 4.719 2.712
137 HA SER 17 HA SER 17 5.054 3.142 3.163
138 HB2 SER 17 HB2 SER 17 6.604 4.105 4.922
139 HB3 SER 17 HB1 SER 17 5.834 5.667 4.638
140 HG SER 17 HG SER 17 5.017 3.684 6.203
141 H ASP 18 HN ASP 18 5.576 6.345 1.872
142 HA ASP 18 HA ASP 18 2.892 7.247 2.053
143 HB2 ASP 18 HB2 ASP 18 3.531 8.947 0.397
144 HB3 ASP 18 HB1 ASP 18 4.707 8.831 1.695
145 H GLU 19 HN GLU 19 4.625 5.360 -0.350
146 HA GLU 19 HA GLU 19 2.583 5.364 -2.306
147 HB2 GLU 19 HB2 GLU 19 4.793 3.384 -1.758
148 HB3 GLU 19 HB1 GLU 19 3.727 3.302 -3.147
149 HG2 GLU 19 HG2 GLU 19 4.551 5.485 -3.893
150 HG3 GLU 19 HG1 GLU 19 5.641 5.530 -2.507
151 H LEU 20 HN LEU 20 3.463 3.155 0.305
152 HA LEU 20 HA LEU 20 1.453 1.254 -0.139
153 HB2 LEU 20 HB2 LEU 20 3.324 0.744 1.271
154 HB3 LEU 20 HB1 LEU 20 2.914 2.041 2.376
155 HG LEU 20 HG LEU 20 0.874 0.833 3.035
156 HD11 LEU 20 HD11 LEU 20 1.913 -1.288 1.170
157 HD12 LEU 20 HD12 LEU 20 0.404 -0.386 1.020
158 HD13 LEU 20 HD13 LEU 20 0.624 -1.527 2.346
159 HD21 LEU 20 HD21 LEU 20 2.997 0.523 4.260
160 HD22 LEU 20 HD22 LEU 20 3.339 -0.885 3.255
161 HD23 LEU 20 HD23 LEU 20 1.946 -0.889 4.331
162 H GLN 21 HN GLN 21 1.484 4.163 1.891
163 HA GLN 21 HA GLN 21 -1.057 3.806 3.035
164 HB2 GLN 21 HB2 GLN 21 0.558 6.301 2.516
165 HB3 GLN 21 HB1 GLN 21 -0.968 6.307 3.389
166 HG2 GLN 21 HG2 GLN 21 -0.037 4.845 5.083
167 HG3 GLN 21 HG1 GLN 21 1.481 4.752 4.193
168 HE21 GLN 21 HE21 GLN 21 2.840 6.546 4.149
169 HE22 GLN 21 HE22 GLN 21 2.684 7.842 5.284
170 H ARG 22 HN ARG 22 -0.059 5.698 0.185
171 HA ARG 22 HA ARG 22 -2.600 6.582 -0.563
172 HB2 ARG 22 HB2 ARG 22 -0.537 7.444 -1.589
173 HB3 ARG 22 HB1 ARG 22 -0.267 5.887 -2.364
174 HG2 ARG 22 HG2 ARG 22 -2.373 6.165 -3.603
175 HG3 ARG 22 HG1 ARG 22 -2.571 7.757 -2.870
176 HD2 ARG 22 HD2 ARG 22 -0.463 8.485 -3.901
177 HD3 ARG 22 HD1 ARG 22 -0.282 6.891 -4.639
178 HE ARG 22 HE ARG 22 -2.786 8.043 -5.309
179 HH11 ARG 22 HH11 ARG 22 0.361 8.795 -7.681
180 HH12 ARG 22 HH12 ARG 22 0.616 8.208 -6.070
181 HH21 ARG 22 HH21 ARG 22 -3.144 8.804 -7.416
182 HH22 ARG 22 HH22 ARG 22 -1.790 9.139 -8.449
183 H HIS 23 HN HIS 23 -0.827 3.658 -1.463
184 HA HIS 23 HA HIS 23 -2.698 2.527 -3.174
185 HB2 HIS 23 HB2 HIS 23 -0.527 1.575 -3.095
186 HB3 HIS 23 HB1 HIS 23 -0.623 1.312 -1.358
187 HD1 HIS 23 HD1 HIS 23 -1.460 -0.300 -4.623
188 HD2 HIS 23 HD2 HIS 23 -2.209 -0.864 -0.563
189 HE1 HIS 23 HE1 HIS 23 -2.462 -2.634 -4.382
190 H LYS 24 HN LYS 24 -2.372 2.189 0.351
191 HA LYS 24 HA LYS 24 -4.413 0.346 0.762
192 HB2 LYS 24 HB2 LYS 24 -3.280 2.507 2.515
193 HB3 LYS 24 HB1 LYS 24 -4.582 1.466 3.069
194 HG2 LYS 24 HG2 LYS 24 -1.863 0.543 2.160
195 HG3 LYS 24 HG1 LYS 24 -2.409 0.671 3.830
196 HD2 LYS 24 HD2 LYS 24 -4.229 -0.948 3.286
197 HD3 LYS 24 HD1 LYS 24 -3.500 -1.155 1.694
198 HE2 LYS 24 HE2 LYS 24 -2.787 -2.941 3.153
199 HE3 LYS 24 HE1 LYS 24 -1.415 -1.902 2.772
200 HZ1 LYS 24 HZ1 LYS 24 -1.739 -0.800 4.921
201 HZ2 LYS 24 HZ2 LYS 24 -1.420 -2.447 5.099
202 HZ3 LYS 24 HZ3 LYS 24 -2.996 -1.869 5.284
203 H ARG 25 HN ARG 25 -4.590 3.756 0.110
204 HA ARG 25 HA ARG 25 -7.197 4.195 1.096
205 HB2 ARG 25 HB2 ARG 25 -5.765 5.644 -1.126
206 HB3 ARG 25 HB1 ARG 25 -7.191 6.223 -0.276
207 HG2 ARG 25 HG2 ARG 25 -5.801 6.105 1.836
208 HG3 ARG 25 HG1 ARG 25 -4.410 5.867 0.778
209 HD2 ARG 25 HD2 ARG 25 -6.237 8.257 0.918
210 HD3 ARG 25 HD1 ARG 25 -4.512 8.192 1.268
211 HE ARG 25 HE ARG 25 -5.530 7.695 -1.449
212 HH11 ARG 25 HH11 ARG 25 -2.669 10.359 -0.523
213 HH12 ARG 25 HH12 ARG 25 -3.389 9.409 0.737
214 HH21 ARG 25 HH21 ARG 25 -3.336 10.090 -2.698
215 HH22 ARG 25 HH22 ARG 25 -4.575 8.946 -3.100
216 H THR 26 HN THR 26 -6.135 2.431 -1.621
217 HA THR 26 HA THR 26 -8.548 2.757 -3.145
218 HB THR 26 HB THR 26 -7.770 0.868 -4.496
219 HG1 THR 26 HG1 THR 26 -5.513 0.729 -2.762
220 HG21 THR 26 HG21 THR 26 -6.881 3.103 -4.971
221 HG22 THR 26 HG22 THR 26 -5.698 1.848 -5.337
222 HG23 THR 26 HG23 THR 26 -5.542 2.804 -3.864
223 H HIS 27 HN HIS 27 -7.308 0.468 -0.761
224 HA HIS 27 HA HIS 27 -9.547 -1.308 -0.962
225 HB2 HIS 27 HB2 HIS 27 -7.502 -1.008 1.250
226 HB3 HIS 27 HB1 HIS 27 -8.666 -2.321 1.116
227 HD1 HIS 27 HD1 HIS 27 -8.345 -3.505 -1.562
228 HD2 HIS 27 HD2 HIS 27 -5.109 -1.852 0.480
229 HE1 HIS 27 HE1 HIS 27 -6.244 -4.547 -2.559
230 H THR 28 HN THR 28 -8.538 1.259 1.246
231 HA THR 28 HA THR 28 -11.037 1.096 2.710
232 HB THR 28 HB THR 28 -8.929 3.216 3.078
233 HG1 THR 28 HG1 THR 28 -8.821 0.460 3.686
234 HG21 THR 28 HG21 THR 28 -10.771 1.789 5.009
235 HG22 THR 28 HG22 THR 28 -11.002 3.420 4.381
236 HG23 THR 28 HG23 THR 28 -9.628 3.065 5.426
237 H GLY 29 HN GLY 29 -10.775 1.954 -0.191
238 HA2 GLY 29 HA2 GLY 29 -11.367 4.739 -0.334
239 HA3 GLY 29 HA1 GLY 29 -11.592 3.565 -1.621
240 H GLU 30 HN GLU 30 -13.259 1.898 0.170
241 HA GLU 30 HA GLU 30 -15.778 3.196 -0.372
242 HB2 GLU 30 HB2 GLU 30 -16.766 1.072 0.418
243 HB3 GLU 30 HB1 GLU 30 -15.561 0.819 -0.837
244 HG2 GLU 30 HG2 GLU 30 -13.920 0.208 0.871
245 HG3 GLU 30 HG1 GLU 30 -15.140 0.448 2.120
246 H LYS 31 HN LYS 31 -13.618 3.426 2.080
247 HA LYS 31 HA LYS 31 -15.724 4.104 4.013
248 HB2 LYS 31 HB2 LYS 31 -14.614 1.985 4.662
249 HB3 LYS 31 HB1 LYS 31 -13.069 2.823 4.678
250 HG2 LYS 31 HG2 LYS 31 -13.971 4.326 6.442
251 HG3 LYS 31 HG1 LYS 31 -15.420 3.320 6.487
252 HD2 LYS 31 HD2 LYS 31 -14.084 1.389 7.112
253 HD3 LYS 31 HD1 LYS 31 -12.611 2.355 7.012
254 HE2 LYS 31 HE2 LYS 31 -13.502 3.823 8.792
255 HE3 LYS 31 HE1 LYS 31 -14.906 2.766 8.925
256 HZ1 LYS 31 HZ1 LYS 31 -13.415 0.950 9.522
257 HZ2 LYS 31 HZ2 LYS 31 -13.280 2.236 10.608
258 HZ3 LYS 31 HZ3 LYS 31 -12.086 1.993 9.437
259 HN1 NH2 32 HN1 NH2 32 -15.476 6.225 3.140
260 HN2 NH2 32 HN2 NH2 32 -14.141 7.222 3.606
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 13.841 -0.332 5.231
2 H2 ARG 1 HT2 ARG 1 13.660 -0.468 6.909
3 H3 ARG 1 HT3 ARG 1 12.508 0.367 5.998
4 HA ARG 1 HA ARG 1 13.086 -2.517 5.726
5 HB2 ARG 1 HB2 ARG 1 10.944 -2.885 6.863
6 HB3 ARG 1 HB1 ARG 1 12.071 -2.030 7.904
7 HG2 ARG 1 HG2 ARG 1 10.935 0.059 7.478
8 HG3 ARG 1 HG1 ARG 1 9.856 -0.734 6.331
9 HD2 ARG 1 HD2 ARG 1 8.953 -2.121 8.114
10 HD3 ARG 1 HD1 ARG 1 10.066 -1.392 9.268
11 HE ARG 1 HE ARG 1 8.881 0.758 8.751
12 HH11 ARG 1 HH11 ARG 1 7.265 -2.337 8.389
13 HH12 ARG 1 HH12 ARG 1 5.681 -1.673 8.637
14 HH21 ARG 1 HH21 ARG 1 5.416 0.568 9.030
15 HH22 ARG 1 HH22 ARG 1 6.795 1.616 9.075
16 HA PRO 2 HA PRO 2 10.769 -2.034 1.937
17 HB2 PRO 2 HB2 PRO 2 10.045 -4.622 1.562
18 HB3 PRO 2 HB1 PRO 2 11.694 -4.043 1.272
19 HG2 PRO 2 HG2 PRO 2 10.577 -5.480 3.649
20 HG3 PRO 2 HG1 PRO 2 12.116 -5.739 2.804
21 HD2 PRO 2 HD2 PRO 2 11.938 -4.341 5.123
22 HD3 PRO 2 HD1 PRO 2 13.146 -3.974 3.874
23 H PHE 3 HN PHE 3 8.594 -1.908 1.289
24 HA PHE 3 HA PHE 3 6.686 -2.354 3.485
25 HB2 PHE 3 HB2 PHE 3 6.582 -0.362 1.216
26 HB3 PHE 3 HB1 PHE 3 5.337 -0.566 2.443
27 HD1 PHE 3 HD1 PHE 3 8.510 0.899 1.632
28 HD2 PHE 3 HD2 PHE 3 5.862 -0.041 4.821
29 HE1 PHE 3 HE1 PHE 3 9.692 2.502 3.076
30 HE2 PHE 3 HE2 PHE 3 7.037 1.554 6.274
31 HZ PHE 3 HZ PHE 3 8.953 2.801 5.438
32 H NLE 4 HN NLE 4 4.644 -3.209 3.027
33 HA NLE 4 HA NLE 4 4.015 -4.101 0.358
34 HB2 NLE 4 HB1 NLE 4 4.452 -6.120 2.558
35 HB3 NLE 4 HB2 NLE 4 5.552 -5.853 1.217
36 HG2 NLE 4 HG1 NLE 4 3.774 -6.520 -0.347
37 HG3 NLE 4 HG2 NLE 4 2.716 -6.848 1.027
38 HD2 NLE 4 HD1 NLE 4 4.221 -8.572 1.823
39 HD3 NLE 4 HD2 NLE 4 5.373 -8.198 0.531
40 HE1 NLE 4 HE1 NLE 4 3.686 -8.821 -1.134
41 HE2 NLE 4 HE2 NLE 4 2.559 -9.214 0.162
42 HE3 NLE 4 HE3 NLE 4 4.036 -10.157 -0.036
43 H CYS 5 HN CYS 5 1.859 -4.366 0.074
44 HA CYS 5 HA CYS 5 0.113 -3.668 2.251
45 HB2 CYS 5 HB2 CYS 5 -0.463 -2.758 0.128
46 HB3 CYS 5 HB1 CYS 5 -0.388 -4.338 -0.641
47 H THR 6 HN THR 6 -1.257 -4.966 3.349
48 HA THR 6 HA THR 6 -1.100 -7.847 2.777
49 HB THR 6 HB THR 6 -1.172 -8.202 5.268
50 HG1 THR 6 HG1 THR 6 -1.877 -5.962 5.682
51 HG21 THR 6 HG21 THR 6 0.923 -8.425 4.036
52 HG22 THR 6 HG22 THR 6 1.212 -7.720 5.625
53 HG23 THR 6 HG23 THR 6 1.213 -6.694 4.190
54 H TRP 7 HN TRP 7 -3.137 -5.649 2.275
55 HA TRP 7 HA TRP 7 -5.341 -6.238 4.018
56 HB2 TRP 7 HB2 TRP 7 -4.969 -4.025 2.858
57 HB3 TRP 7 HB1 TRP 7 -5.417 -4.815 1.350
58 HD1 TRP 7 HD1 TRP 7 -6.894 -3.301 4.473
59 HE1 TRP 7 HE1 TRP 7 -9.458 -3.289 4.302
60 HE3 TRP 7 HE3 TRP 7 -7.443 -6.222 0.312
61 HZ2 TRP 7 HZ2 TRP 7 -11.451 -4.380 2.633
62 HZ3 TRP 7 HZ3 TRP 7 -9.718 -6.691 -0.498
63 HH2 TRP 7 HH2 TRP 7 -11.673 -5.790 0.634
64 HA DPR 8 HA DPR 8 -8.034 -8.810 1.464
65 HB2 DPR 8 HB2 DPR 8 -9.081 -10.142 3.001
66 HB3 DPR 8 HB1 DPR 8 -7.565 -10.602 3.786
67 HG2 DPR 8 HG2 DPR 8 -9.168 -8.090 4.087
68 HG3 DPR 8 HG1 DPR 8 -8.397 -9.082 5.341
69 HD2 DPR 8 HD2 DPR 8 -7.279 -6.803 4.428
70 HD3 DPR 8 HD1 DPR 8 -6.301 -8.198 4.929
71 H GLY 9 HN GLY 9 -7.132 -9.807 -0.225
72 HA2 GLY 9 HA2 GLY 9 -4.954 -11.739 0.289
73 HA3 GLY 9 HA1 GLY 9 -6.120 -11.893 -1.021
74 H CYS 10 HN CYS 10 -5.201 -8.723 -0.450
75 HA CYS 10 HA CYS 10 -3.903 -8.512 -2.995
76 HB2 CYS 10 HB2 CYS 10 -5.423 -6.784 -2.182
77 HB3 CYS 10 HB1 CYS 10 -4.401 -6.511 -0.780
78 H GLY 11 HN GLY 11 -1.725 -8.085 -3.395
79 HA2 GLY 11 HA2 GLY 11 0.110 -8.014 -1.126
80 HA3 GLY 11 HA1 GLY 11 0.217 -9.402 -2.195
81 H LYS 12 HN LYS 12 0.185 -5.857 -2.306
82 HA LYS 12 HA LYS 12 2.141 -5.992 -4.490
83 HB2 LYS 12 HB2 LYS 12 0.021 -4.782 -4.970
84 HB3 LYS 12 HB1 LYS 12 0.386 -3.670 -3.659
85 HG2 LYS 12 HG2 LYS 12 2.278 -2.805 -4.812
86 HG3 LYS 12 HG1 LYS 12 2.174 -4.061 -6.046
87 HD2 LYS 12 HD2 LYS 12 0.046 -1.981 -5.543
88 HD3 LYS 12 HD1 LYS 12 1.296 -1.847 -6.779
89 HE2 LYS 12 HE2 LYS 12 -0.787 -4.023 -6.598
90 HE3 LYS 12 HE1 LYS 12 -0.818 -2.657 -7.710
91 HZ1 LYS 12 HZ1 LYS 12 0.010 -4.673 -8.764
92 HZ2 LYS 12 HZ2 LYS 12 1.274 -4.763 -7.646
93 HZ3 LYS 12 HZ3 LYS 12 1.199 -3.472 -8.733
94 H ARG 13 HN ARG 13 4.119 -5.042 -4.255
95 HA ARG 13 HA ARG 13 4.780 -4.215 -1.520
96 HB2 ARG 13 HB2 ARG 13 6.512 -5.341 -3.716
97 HB3 ARG 13 HB1 ARG 13 7.136 -4.752 -2.182
98 HG2 ARG 13 HG2 ARG 13 5.823 -6.423 -0.995
99 HG3 ARG 13 HG1 ARG 13 5.180 -7.008 -2.530
100 HD2 ARG 13 HD2 ARG 13 6.994 -8.432 -1.763
101 HD3 ARG 13 HD1 ARG 13 7.445 -7.599 -3.248
102 HE ARG 13 HE ARG 13 8.603 -5.977 -1.640
103 HH11 ARG 13 HH11 ARG 13 9.709 -9.525 -0.118
104 HH12 ARG 13 HH12 ARG 13 8.271 -9.417 -1.080
105 HH21 ARG 13 HH21 ARG 13 10.506 -6.118 -0.390
106 HH22 ARG 13 HH22 ARG 13 10.988 -7.646 0.274
107 H PHE 14 HN PHE 14 6.106 -2.456 -1.105
108 HA PHE 14 HA PHE 14 6.571 -0.562 -3.294
109 HB2 PHE 14 HB2 PHE 14 5.264 0.171 -0.665
110 HB3 PHE 14 HB1 PHE 14 5.636 1.271 -1.990
111 HD1 PHE 14 HD1 PHE 14 3.376 -1.282 -0.751
112 HD2 PHE 14 HD2 PHE 14 4.338 1.229 -4.046
113 HE1 PHE 14 HE1 PHE 14 1.144 -1.685 -1.707
114 HE2 PHE 14 HE2 PHE 14 2.108 0.834 -5.009
115 HZ PHE 14 HZ PHE 14 0.558 -0.717 -3.902
116 H THR 15 HN THR 15 8.045 1.198 -2.633
117 HA THR 15 HA THR 15 9.936 0.275 -0.573
118 HB THR 15 HB THR 15 11.555 1.830 -1.789
119 HG1 THR 15 HG1 THR 15 10.063 1.531 -4.113
120 HG21 THR 15 HG21 THR 15 12.029 0.173 -3.556
121 HG22 THR 15 HG22 THR 15 10.465 -0.581 -3.249
122 HG23 THR 15 HG23 THR 15 11.708 -0.589 -2.000
123 H ARG 16 HN ARG 16 7.460 2.299 -0.858
124 HA ARG 16 HA ARG 16 8.614 4.211 1.047
125 HB2 ARG 16 HB2 ARG 16 6.720 4.923 -1.201
126 HB3 ARG 16 HB1 ARG 16 7.311 6.030 0.025
127 HG2 ARG 16 HG2 ARG 16 9.575 5.777 -0.840
128 HG3 ARG 16 HG1 ARG 16 8.981 4.654 -2.067
129 HD2 ARG 16 HD2 ARG 16 7.509 6.436 -2.928
130 HD3 ARG 16 HD1 ARG 16 8.193 7.547 -1.748
131 HE ARG 16 HE ARG 16 10.290 6.474 -3.245
132 HH11 ARG 16 HH11 ARG 16 7.520 8.561 -3.660
133 HH12 ARG 16 HH12 ARG 16 8.212 9.440 -4.984
134 HH21 ARG 16 HH21 ARG 16 11.220 7.642 -4.997
135 HH22 ARG 16 HH22 ARG 16 10.314 8.917 -5.745
136 H SER 17 HN SER 17 7.345 4.623 2.770
137 HA SER 17 HA SER 17 5.089 3.026 3.329
138 HB2 SER 17 HB2 SER 17 6.627 4.023 5.041
139 HB3 SER 17 HB1 SER 17 5.934 5.606 4.684
140 HG SER 17 HG SER 17 4.045 3.697 5.229
141 H ASP 18 HN ASP 18 5.501 6.329 2.186
142 HA ASP 18 HA ASP 18 2.798 7.115 2.253
143 HB2 ASP 18 HB2 ASP 18 4.465 8.802 1.985
144 HB3 ASP 18 HB1 ASP 18 5.120 8.023 0.550
145 H GLU 19 HN GLU 19 4.685 5.419 -0.192
146 HA GLU 19 HA GLU 19 2.712 5.395 -2.197
147 HB2 GLU 19 HB2 GLU 19 5.055 3.597 -1.633
148 HB3 GLU 19 HB1 GLU 19 3.972 3.318 -2.984
149 HG2 GLU 19 HG2 GLU 19 5.566 5.823 -2.517
150 HG3 GLU 19 HG1 GLU 19 5.983 4.533 -3.646
151 H LEU 20 HN LEU 20 3.515 3.126 0.387
152 HA LEU 20 HA LEU 20 1.555 1.207 -0.204
153 HB2 LEU 20 HB2 LEU 20 3.329 0.653 1.291
154 HB3 LEU 20 HB1 LEU 20 2.908 1.962 2.378
155 HG LEU 20 HG LEU 20 0.850 0.803 3.010
156 HD11 LEU 20 HD11 LEU 20 1.802 -1.356 1.138
157 HD12 LEU 20 HD12 LEU 20 0.377 -0.338 0.926
158 HD13 LEU 20 HD13 LEU 20 0.445 -1.492 2.256
159 HD21 LEU 20 HD21 LEU 20 3.252 -1.009 3.188
160 HD22 LEU 20 HD22 LEU 20 1.849 -1.012 4.255
161 HD23 LEU 20 HD23 LEU 20 2.942 0.370 4.239
162 H GLN 21 HN GLN 21 1.457 4.052 1.924
163 HA GLN 21 HA GLN 21 -1.142 3.645 2.910
164 HB2 GLN 21 HB2 GLN 21 0.408 6.210 2.519
165 HB3 GLN 21 HB1 GLN 21 -1.098 6.091 3.419
166 HG2 GLN 21 HG2 GLN 21 -0.058 4.627 5.035
167 HG3 GLN 21 HG1 GLN 21 1.438 4.621 4.105
168 HE21 GLN 21 HE21 GLN 21 -0.602 6.421 6.240
169 HE22 GLN 21 HE22 GLN 21 0.525 7.690 6.578
170 H ARG 22 HN ARG 22 0.029 5.557 0.169
171 HA ARG 22 HA ARG 22 -2.405 6.570 -0.729
172 HB2 ARG 22 HB2 ARG 22 -0.182 7.260 -1.578
173 HB3 ARG 22 HB1 ARG 22 -0.039 5.719 -2.411
174 HG2 ARG 22 HG2 ARG 22 -1.965 6.268 -3.789
175 HG3 ARG 22 HG1 ARG 22 -2.144 7.804 -2.938
176 HD2 ARG 22 HD2 ARG 22 0.191 8.374 -3.671
177 HD3 ARG 22 HD1 ARG 22 0.161 6.929 -4.678
178 HE ARG 22 HE ARG 22 -2.020 8.168 -5.535
179 HH11 ARG 22 HH11 ARG 22 1.070 10.681 -6.085
180 HH12 ARG 22 HH12 ARG 22 1.200 9.403 -4.918
181 HH21 ARG 22 HH21 ARG 22 -2.186 9.862 -7.076
182 HH22 ARG 22 HH22 ARG 22 -0.846 10.938 -7.306
183 H HIS 23 HN HIS 23 -0.717 3.599 -1.712
184 HA HIS 23 HA HIS 23 -2.627 2.578 -3.444
185 HB2 HIS 23 HB2 HIS 23 -0.558 1.466 -3.417
186 HB3 HIS 23 HB1 HIS 23 -0.568 1.293 -1.667
187 HD1 HIS 23 HD1 HIS 23 -1.570 -0.476 -4.788
188 HD2 HIS 23 HD2 HIS 23 -2.267 -0.757 -0.684
189 HE1 HIS 23 HE1 HIS 23 -2.650 -2.754 -4.381
190 H LYS 24 HN LYS 24 -2.301 2.117 0.056
191 HA LYS 24 HA LYS 24 -4.414 0.289 0.305
192 HB2 LYS 24 HB2 LYS 24 -2.580 0.604 1.956
193 HB3 LYS 24 HB1 LYS 24 -3.319 2.126 2.434
194 HG2 LYS 24 HG2 LYS 24 -5.216 1.039 3.320
195 HG3 LYS 24 HG1 LYS 24 -4.774 -0.495 2.566
196 HD2 LYS 24 HD2 LYS 24 -2.851 -0.699 4.011
197 HD3 LYS 24 HD1 LYS 24 -3.160 0.895 4.699
198 HE2 LYS 24 HE2 LYS 24 -5.064 -1.438 4.886
199 HE3 LYS 24 HE1 LYS 24 -3.906 -0.999 6.141
200 HZ1 LYS 24 HZ1 LYS 24 -4.993 1.170 6.303
201 HZ2 LYS 24 HZ2 LYS 24 -6.069 -0.091 6.634
202 HZ3 LYS 24 HZ3 LYS 24 -6.133 0.700 5.141
203 H ARG 25 HN ARG 25 -4.437 3.707 -0.095
204 HA ARG 25 HA ARG 25 -6.889 4.315 1.131
205 HB2 ARG 25 HB2 ARG 25 -5.559 5.522 -1.289
206 HB3 ARG 25 HB1 ARG 25 -7.030 6.171 -0.576
207 HG2 ARG 25 HG2 ARG 25 -5.775 6.419 1.567
208 HG3 ARG 25 HG1 ARG 25 -4.317 5.960 0.688
209 HD2 ARG 25 HD2 ARG 25 -4.623 7.866 -0.821
210 HD3 ARG 25 HD1 ARG 25 -6.081 8.329 0.057
211 HE ARG 25 HE ARG 25 -3.661 8.142 1.641
212 HH11 ARG 25 HH11 ARG 25 -5.253 11.671 0.568
213 HH12 ARG 25 HH12 ARG 25 -5.800 10.217 -0.198
214 HH21 ARG 25 HH21 ARG 25 -3.625 11.581 2.189
215 HH22 ARG 25 HH22 ARG 25 -2.930 10.058 2.641
216 H THR 26 HN THR 26 -6.224 2.450 -1.696
217 HA THR 26 HA THR 26 -8.804 2.726 -2.890
218 HB THR 26 HB THR 26 -8.225 0.696 -4.176
219 HG1 THR 26 HG1 THR 26 -5.716 0.735 -2.828
220 HG21 THR 26 HG21 THR 26 -7.477 2.887 -4.962
221 HG22 THR 26 HG22 THR 26 -6.309 1.632 -5.371
222 HG23 THR 26 HG23 THR 26 -5.994 2.723 -4.022
223 H HIS 27 HN HIS 27 -7.407 0.677 -0.432
224 HA HIS 27 HA HIS 27 -9.732 -1.043 -0.276
225 HB2 HIS 27 HB2 HIS 27 -7.392 -0.808 1.626
226 HB3 HIS 27 HB1 HIS 27 -8.571 -2.109 1.588
227 HD1 HIS 27 HD1 HIS 27 -8.526 -3.187 -1.190
228 HD2 HIS 27 HD2 HIS 27 -5.106 -1.715 0.686
229 HE1 HIS 27 HE1 HIS 27 -6.529 -4.287 -2.336
230 H THR 28 HN THR 28 -8.068 1.213 1.882
231 HA THR 28 HA THR 28 -10.642 1.815 3.169
232 HB THR 28 HB THR 28 -9.233 2.345 5.219
233 HG1 THR 28 HG1 THR 28 -7.198 2.349 4.095
234 HG21 THR 28 HG21 THR 28 -9.115 0.012 5.944
235 HG22 THR 28 HG22 THR 28 -9.277 -0.524 4.272
236 HG23 THR 28 HG23 THR 28 -10.610 0.320 5.061
237 H GLY 29 HN GLY 29 -10.976 3.615 1.799
238 HA2 GLY 29 HA2 GLY 29 -8.963 5.699 1.679
239 HA3 GLY 29 HA1 GLY 29 -10.546 5.730 0.914
240 H GLU 30 HN GLU 30 -11.764 4.921 3.503
241 HA GLU 30 HA GLU 30 -12.164 7.580 4.533
242 HB2 GLU 30 HB2 GLU 30 -13.289 4.968 5.545
243 HB3 GLU 30 HB1 GLU 30 -13.891 6.579 5.897
244 HG2 GLU 30 HG2 GLU 30 -14.484 6.871 3.545
245 HG3 GLU 30 HG1 GLU 30 -13.892 5.247 3.201
246 H LYS 31 HN LYS 31 -11.118 4.473 5.922
247 HA LYS 31 HA LYS 31 -9.456 5.981 7.813
248 HB2 LYS 31 HB2 LYS 31 -10.002 4.226 9.541
249 HB3 LYS 31 HB1 LYS 31 -11.323 5.310 9.133
250 HG2 LYS 31 HG2 LYS 31 -12.316 3.605 7.722
251 HG3 LYS 31 HG1 LYS 31 -10.969 2.518 8.061
252 HD2 LYS 31 HD2 LYS 31 -12.887 1.935 9.431
253 HD3 LYS 31 HD1 LYS 31 -11.578 2.541 10.446
254 HE2 LYS 31 HE2 LYS 31 -12.655 4.681 10.646
255 HE3 LYS 31 HE1 LYS 31 -13.894 4.215 9.485
256 HZ1 LYS 31 HZ1 LYS 31 -14.729 4.045 11.723
257 HZ2 LYS 31 HZ2 LYS 31 -13.470 3.011 12.164
258 HZ3 LYS 31 HZ3 LYS 31 -14.627 2.503 11.040
259 HN1 NH2 32 HN1 NH2 32 -7.791 5.537 6.304
260 HN2 NH2 32 HN2 NH2 32 -7.030 3.983 6.256
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 13.803 -0.851 5.222
2 H2 ARG 1 HT2 ARG 1 14.300 -2.322 4.555
3 H3 ARG 1 HT3 ARG 1 14.435 -2.065 6.221
4 HA ARG 1 HA ARG 1 12.573 -3.482 5.789
5 HB2 ARG 1 HB2 ARG 1 11.816 -0.665 6.571
6 HB3 ARG 1 HB1 ARG 1 10.748 -2.046 6.748
7 HG2 ARG 1 HG2 ARG 1 12.335 -3.082 8.284
8 HG3 ARG 1 HG1 ARG 1 13.411 -1.695 8.102
9 HD2 ARG 1 HD2 ARG 1 11.745 -0.223 9.039
10 HD3 ARG 1 HD1 ARG 1 10.571 -1.533 9.100
11 HE ARG 1 HE ARG 1 12.830 -2.271 10.590
12 HH11 ARG 1 HH11 ARG 1 10.210 0.047 10.674
13 HH12 ARG 1 HH12 ARG 1 10.143 0.104 12.405
14 HH21 ARG 1 HH21 ARG 1 11.577 -1.180 13.659
15 HH22 ARG 1 HH22 ARG 1 12.738 -2.203 12.878
16 HA PRO 2 HA PRO 2 10.622 -2.510 1.845
17 HB2 PRO 2 HB2 PRO 2 9.623 -4.960 1.375
18 HB3 PRO 2 HB1 PRO 2 11.348 -4.607 1.162
19 HG2 PRO 2 HG2 PRO 2 9.955 -5.977 3.429
20 HG3 PRO 2 HG1 PRO 2 11.501 -6.375 2.660
21 HD2 PRO 2 HD2 PRO 2 11.249 -4.983 5.031
22 HD3 PRO 2 HD1 PRO 2 12.660 -4.886 3.956
23 H PHE 3 HN PHE 3 8.454 -2.205 1.230
24 HA PHE 3 HA PHE 3 6.508 -2.493 3.413
25 HB2 PHE 3 HB2 PHE 3 6.574 -0.606 1.054
26 HB3 PHE 3 HB1 PHE 3 5.211 -0.749 2.158
27 HD1 PHE 3 HD1 PHE 3 8.584 0.530 1.693
28 HD2 PHE 3 HD2 PHE 3 5.405 -0.015 4.466
29 HE1 PHE 3 HE1 PHE 3 9.633 2.159 3.207
30 HE2 PHE 3 HE2 PHE 3 6.446 1.613 5.986
31 HZ PHE 3 HZ PHE 3 8.565 2.702 5.360
32 H NLE 4 HN NLE 4 4.454 -3.362 2.973
33 HA NLE 4 HA NLE 4 3.951 -4.433 0.323
34 HB2 NLE 4 HB1 NLE 4 4.194 -6.197 2.759
35 HB3 NLE 4 HB2 NLE 4 5.300 -6.173 1.397
36 HG2 NLE 4 HG1 NLE 4 3.531 -6.982 -0.072
37 HG3 NLE 4 HG2 NLE 4 2.401 -6.983 1.284
38 HD2 NLE 4 HD1 NLE 4 3.823 -8.624 2.446
39 HD3 NLE 4 HD2 NLE 4 4.907 -8.652 1.046
40 HE1 NLE 4 HE1 NLE 4 3.345 -10.524 0.978
41 HE2 NLE 4 HE2 NLE 4 3.053 -9.413 -0.360
42 HE3 NLE 4 HE3 NLE 4 1.987 -9.401 1.045
43 H CYS 5 HN CYS 5 1.828 -4.540 -0.139
44 HA CYS 5 HA CYS 5 -0.094 -3.701 1.817
45 HB2 CYS 5 HB2 CYS 5 -0.507 -2.980 -0.409
46 HB3 CYS 5 HB1 CYS 5 -0.341 -4.614 -1.046
47 H THR 6 HN THR 6 -1.133 -4.960 3.197
48 HA THR 6 HA THR 6 -0.887 -7.857 2.844
49 HB THR 6 HB THR 6 -1.424 -7.940 5.304
50 HG1 THR 6 HG1 THR 6 -2.347 -5.715 5.262
51 HG21 THR 6 HG21 THR 6 0.874 -8.094 4.487
52 HG22 THR 6 HG22 THR 6 0.811 -7.195 6.002
53 HG23 THR 6 HG23 THR 6 0.998 -6.335 4.474
54 H TRP 7 HN TRP 7 -2.992 -5.982 1.695
55 HA TRP 7 HA TRP 7 -5.414 -6.939 2.980
56 HB2 TRP 7 HB2 TRP 7 -5.218 -4.595 2.108
57 HB3 TRP 7 HB1 TRP 7 -5.122 -5.257 0.480
58 HD1 TRP 7 HD1 TRP 7 -7.592 -4.371 3.192
59 HE1 TRP 7 HE1 TRP 7 -9.989 -4.753 2.337
60 HE3 TRP 7 HE3 TRP 7 -6.520 -6.863 -1.141
61 HZ2 TRP 7 HZ2 TRP 7 -11.252 -5.958 0.124
62 HZ3 TRP 7 HZ3 TRP 7 -8.384 -7.597 -2.567
63 HH2 TRP 7 HH2 TRP 7 -10.694 -7.153 -1.946
64 HA DPR 8 HA DPR 8 -7.186 -9.647 -0.126
65 HB2 DPR 8 HB2 DPR 8 -7.922 -11.453 1.088
66 HB3 DPR 8 HB1 DPR 8 -6.400 -11.607 1.978
67 HG2 DPR 8 HG2 DPR 8 -8.642 -9.663 2.380
68 HG3 DPR 8 HG1 DPR 8 -7.726 -10.578 3.594
69 HD2 DPR 8 HD2 DPR 8 -7.221 -7.967 3.004
70 HD3 DPR 8 HD1 DPR 8 -5.967 -9.095 3.561
71 H GLY 9 HN GLY 9 -6.304 -10.696 -1.802
72 HA2 GLY 9 HA2 GLY 9 -3.670 -11.953 -1.509
73 HA3 GLY 9 HA1 GLY 9 -4.765 -12.156 -2.874
74 H CYS 10 HN CYS 10 -4.398 -8.989 -1.705
75 HA CYS 10 HA CYS 10 -3.071 -8.161 -4.143
76 HB2 CYS 10 HB2 CYS 10 -5.032 -6.936 -3.301
77 HB3 CYS 10 HB1 CYS 10 -4.173 -6.579 -1.808
78 H GLY 11 HN GLY 11 -1.017 -9.219 -3.606
79 HA2 GLY 11 HA2 GLY 11 0.381 -8.213 -1.247
80 HA3 GLY 11 HA1 GLY 11 0.864 -9.580 -2.236
81 H LYS 12 HN LYS 12 0.154 -6.195 -3.082
82 HA LYS 12 HA LYS 12 2.520 -6.044 -4.701
83 HB2 LYS 12 HB2 LYS 12 0.512 -4.793 -5.344
84 HB3 LYS 12 HB1 LYS 12 0.589 -3.871 -3.848
85 HG2 LYS 12 HG2 LYS 12 2.664 -2.852 -4.527
86 HG3 LYS 12 HG1 LYS 12 2.716 -3.850 -5.980
87 HD2 LYS 12 HD2 LYS 12 0.494 -1.910 -5.377
88 HD3 LYS 12 HD1 LYS 12 1.928 -1.479 -6.306
89 HE2 LYS 12 HE2 LYS 12 1.364 -3.356 -7.868
90 HE3 LYS 12 HE1 LYS 12 -0.158 -3.537 -6.995
91 HZ1 LYS 12 HZ1 LYS 12 -0.452 -2.166 -8.944
92 HZ2 LYS 12 HZ2 LYS 12 0.752 -1.102 -8.427
93 HZ3 LYS 12 HZ3 LYS 12 -0.690 -1.232 -7.554
94 H ARG 13 HN ARG 13 4.452 -5.148 -4.222
95 HA ARG 13 HA ARG 13 4.845 -4.306 -1.438
96 HB2 ARG 13 HB2 ARG 13 6.729 -5.553 -3.431
97 HB3 ARG 13 HB1 ARG 13 7.271 -4.855 -1.911
98 HG2 ARG 13 HG2 ARG 13 6.162 -6.466 -0.638
99 HG3 ARG 13 HG1 ARG 13 5.149 -6.963 -1.996
100 HD2 ARG 13 HD2 ARG 13 8.139 -7.324 -1.893
101 HD3 ARG 13 HD1 ARG 13 6.976 -8.569 -1.434
102 HE ARG 13 HE ARG 13 6.379 -7.614 -4.018
103 HH11 ARG 13 HH11 ARG 13 9.117 -10.534 -3.708
104 HH12 ARG 13 HH12 ARG 13 8.771 -9.530 -2.338
105 HH21 ARG 13 HH21 ARG 13 6.819 -8.934 -5.828
106 HH22 ARG 13 HH22 ARG 13 7.996 -10.201 -5.697
107 H PHE 14 HN PHE 14 6.208 -2.561 -0.968
108 HA PHE 14 HA PHE 14 6.572 -0.635 -3.160
109 HB2 PHE 14 HB2 PHE 14 5.368 -0.032 -0.455
110 HB3 PHE 14 HB1 PHE 14 5.668 1.135 -1.738
111 HD1 PHE 14 HD1 PHE 14 3.494 -1.481 -0.511
112 HD2 PHE 14 HD2 PHE 14 4.317 1.113 -3.774
113 HE1 PHE 14 HE1 PHE 14 1.254 -1.927 -1.423
114 HE2 PHE 14 HE2 PHE 14 2.075 0.678 -4.690
115 HZ PHE 14 HZ PHE 14 0.551 -0.856 -3.525
116 H THR 15 HN THR 15 7.934 1.241 -2.444
117 HA THR 15 HA THR 15 10.133 0.236 -0.767
118 HB THR 15 HB THR 15 10.225 2.480 -2.797
119 HG1 THR 15 HG1 THR 15 10.114 -0.201 -3.169
120 HG21 THR 15 HG21 THR 15 12.646 2.139 -2.697
121 HG22 THR 15 HG22 THR 15 12.427 0.858 -1.506
122 HG23 THR 15 HG23 THR 15 12.008 2.521 -1.097
123 H ARG 16 HN ARG 16 7.797 2.779 -1.173
124 HA ARG 16 HA ARG 16 8.846 4.080 1.258
125 HB2 ARG 16 HB2 ARG 16 7.281 5.365 -0.991
126 HB3 ARG 16 HB1 ARG 16 7.919 6.188 0.423
127 HG2 ARG 16 HG2 ARG 16 10.179 5.766 -0.310
128 HG3 ARG 16 HG1 ARG 16 9.584 4.825 -1.679
129 HD2 ARG 16 HD2 ARG 16 10.188 7.046 -2.419
130 HD3 ARG 16 HD1 ARG 16 8.442 6.838 -2.525
131 HE ARG 16 HE ARG 16 9.371 8.054 -0.079
132 HH11 ARG 16 HH11 ARG 16 8.254 8.615 -3.352
133 HH12 ARG 16 HH12 ARG 16 7.790 10.257 -3.046
134 HH21 ARG 16 HH21 ARG 16 8.764 10.228 0.317
135 HH22 ARG 16 HH22 ARG 16 8.082 11.171 -0.968
136 H SER 17 HN SER 17 7.351 4.707 2.823
137 HA SER 17 HA SER 17 5.057 3.084 3.087
138 HB2 SER 17 HB2 SER 17 4.601 4.515 5.094
139 HB3 SER 17 HB1 SER 17 6.238 3.859 5.051
140 HG SER 17 HG SER 17 5.654 6.325 5.387
141 H ASP 18 HN ASP 18 5.570 6.378 1.993
142 HA ASP 18 HA ASP 18 2.926 7.272 1.919
143 HB2 ASP 18 HB2 ASP 18 5.262 7.946 0.125
144 HB3 ASP 18 HB1 ASP 18 3.704 8.757 0.023
145 H GLU 19 HN GLU 19 4.712 5.301 -0.388
146 HA GLU 19 HA GLU 19 2.802 5.228 -2.440
147 HB2 GLU 19 HB2 GLU 19 4.782 3.123 -1.569
148 HB3 GLU 19 HB1 GLU 19 3.849 3.050 -3.046
149 HG2 GLU 19 HG2 GLU 19 4.978 5.024 -3.885
150 HG3 GLU 19 HG1 GLU 19 5.878 5.165 -2.373
151 H LEU 20 HN LEU 20 3.393 3.063 0.287
152 HA LEU 20 HA LEU 20 1.247 1.316 -0.238
153 HB2 LEU 20 HB2 LEU 20 3.103 0.603 1.103
154 HB3 LEU 20 HB1 LEU 20 2.806 1.870 2.278
155 HG LEU 20 HG LEU 20 0.701 0.779 2.927
156 HD11 LEU 20 HD11 LEU 20 0.196 -1.475 2.121
157 HD12 LEU 20 HD12 LEU 20 1.536 -1.365 0.979
158 HD13 LEU 20 HD13 LEU 20 0.145 -0.292 0.815
159 HD21 LEU 20 HD21 LEU 20 2.800 0.255 4.091
160 HD22 LEU 20 HD22 LEU 20 3.063 -1.089 2.981
161 HD23 LEU 20 HD23 LEU 20 1.685 -1.110 4.080
162 H GLN 21 HN GLN 21 1.500 4.225 1.751
163 HA GLN 21 HA GLN 21 -0.985 4.007 3.046
164 HB2 GLN 21 HB2 GLN 21 0.676 6.417 2.310
165 HB3 GLN 21 HB1 GLN 21 -0.814 6.534 3.234
166 HG2 GLN 21 HG2 GLN 21 0.154 5.109 4.969
167 HG3 GLN 21 HG1 GLN 21 1.650 5.004 4.041
168 HE21 GLN 21 HE21 GLN 21 1.169 6.054 6.714
169 HE22 GLN 21 HE22 GLN 21 1.716 7.692 6.695
170 H ARG 22 HN ARG 22 -0.094 5.801 0.106
171 HA ARG 22 HA ARG 22 -2.679 6.681 -0.529
172 HB2 ARG 22 HB2 ARG 22 -0.621 7.569 -1.583
173 HB3 ARG 22 HB1 ARG 22 -0.414 6.043 -2.431
174 HG2 ARG 22 HG2 ARG 22 -2.587 6.424 -3.555
175 HG3 ARG 22 HG1 ARG 22 -2.670 8.006 -2.779
176 HD2 ARG 22 HD2 ARG 22 -0.544 8.621 -3.874
177 HD3 ARG 22 HD1 ARG 22 -0.534 7.056 -4.681
178 HE ARG 22 HE ARG 22 -2.811 8.854 -5.096
179 HH11 ARG 22 HH11 ARG 22 -0.367 7.563 -8.014
180 HH12 ARG 22 HH12 ARG 22 -0.000 7.191 -6.362
181 HH21 ARG 22 HH21 ARG 22 -3.295 9.349 -7.270
182 HH22 ARG 22 HH22 ARG 22 -2.239 8.792 -8.531
183 H HIS 23 HN HIS 23 -0.872 3.816 -1.570
184 HA HIS 23 HA HIS 23 -2.775 2.695 -3.250
185 HB2 HIS 23 HB2 HIS 23 -0.570 1.777 -3.231
186 HB3 HIS 23 HB1 HIS 23 -0.665 1.417 -1.511
187 HD1 HIS 23 HD1 HIS 23 -1.391 -0.052 -4.845
188 HD2 HIS 23 HD2 HIS 23 -2.369 -0.771 -0.852
189 HE1 HIS 23 HE1 HIS 23 -2.438 -2.373 -4.757
190 H LYS 24 HN LYS 24 -2.325 2.231 0.244
191 HA LYS 24 HA LYS 24 -4.244 0.240 0.605
192 HB2 LYS 24 HB2 LYS 24 -2.486 0.952 2.245
193 HB3 LYS 24 HB1 LYS 24 -3.473 2.356 2.616
194 HG2 LYS 24 HG2 LYS 24 -3.844 0.714 4.301
195 HG3 LYS 24 HG1 LYS 24 -5.300 0.816 3.309
196 HD2 LYS 24 HD2 LYS 24 -4.834 -1.502 3.727
197 HD3 LYS 24 HD1 LYS 24 -4.483 -1.168 2.031
198 HE2 LYS 24 HE2 LYS 24 -2.743 -2.562 2.998
199 HE3 LYS 24 HE1 LYS 24 -2.096 -0.981 2.569
200 HZ1 LYS 24 HZ1 LYS 24 -2.244 -0.319 4.879
201 HZ2 LYS 24 HZ2 LYS 24 -1.320 -1.724 4.737
202 HZ3 LYS 24 HZ3 LYS 24 -2.910 -1.816 5.301
203 H ARG 25 HN ARG 25 -4.601 3.663 0.223
204 HA ARG 25 HA ARG 25 -7.161 3.949 1.368
205 HB2 ARG 25 HB2 ARG 25 -5.761 5.550 -0.760
206 HB3 ARG 25 HB1 ARG 25 -7.293 6.017 -0.035
207 HG2 ARG 25 HG2 ARG 25 -6.121 5.959 2.188
208 HG3 ARG 25 HG1 ARG 25 -4.613 5.790 1.284
209 HD2 ARG 25 HD2 ARG 25 -5.025 8.134 1.852
210 HD3 ARG 25 HD1 ARG 25 -5.080 7.885 0.106
211 HE ARG 25 HE ARG 25 -7.613 7.820 1.551
212 HH11 ARG 25 HH11 ARG 25 -6.634 10.726 -1.043
213 HH12 ARG 25 HH12 ARG 25 -5.413 9.619 -0.500
214 HH21 ARG 25 HH21 ARG 25 -8.786 10.538 -0.279
215 HH22 ARG 25 HH22 ARG 25 -9.211 9.278 0.839
216 H THR 26 HN THR 26 -6.168 2.491 -1.581
217 HA THR 26 HA THR 26 -8.634 2.869 -2.975
218 HB THR 26 HB THR 26 -7.870 1.106 -4.499
219 HG1 THR 26 HG1 THR 26 -5.531 0.866 -2.892
220 HG21 THR 26 HG21 THR 26 -5.836 2.192 -5.310
221 HG22 THR 26 HG22 THR 26 -5.666 3.035 -3.771
222 HG23 THR 26 HG23 THR 26 -7.039 3.384 -4.820
223 H HIS 27 HN HIS 27 -7.438 0.645 -0.601
224 HA HIS 27 HA HIS 27 -9.710 -1.146 -0.894
225 HB2 HIS 27 HB2 HIS 27 -7.507 -1.149 1.178
226 HB3 HIS 27 HB1 HIS 27 -8.692 -2.423 0.927
227 HD1 HIS 27 HD1 HIS 27 -8.501 -3.286 -1.870
228 HD2 HIS 27 HD2 HIS 27 -5.167 -1.867 0.194
229 HE1 HIS 27 HE1 HIS 27 -6.448 -4.244 -3.046
230 H THR 28 HN THR 28 -8.262 0.720 1.780
231 HA THR 28 HA THR 28 -9.140 1.453 3.758
232 HB THR 28 HB THR 28 -11.595 2.124 2.120
233 HG1 THR 28 HG1 THR 28 -10.013 3.047 0.936
234 HG21 THR 28 HG21 THR 28 -11.745 4.041 3.629
235 HG22 THR 28 HG22 THR 28 -10.285 3.511 4.465
236 HG23 THR 28 HG23 THR 28 -11.751 2.533 4.545
237 H GLY 29 HN GLY 29 -9.294 -1.200 3.677
238 HA2 GLY 29 HA2 GLY 29 -12.027 -2.065 4.209
239 HA3 GLY 29 HA1 GLY 29 -10.611 -3.099 4.096
240 H GLU 30 HN GLU 30 -9.243 -1.074 5.909
241 HA GLU 30 HA GLU 30 -9.825 -2.439 8.359
242 HB2 GLU 30 HB2 GLU 30 -7.543 -1.609 7.642
243 HB3 GLU 30 HB1 GLU 30 -8.105 0.015 8.006
244 HG2 GLU 30 HG2 GLU 30 -6.811 -0.816 9.842
245 HG3 GLU 30 HG1 GLU 30 -8.496 -0.669 10.336
246 H LYS 31 HN LYS 31 -10.777 0.529 6.866
247 HA LYS 31 HA LYS 31 -12.615 1.043 9.066
248 HB2 LYS 31 HB2 LYS 31 -10.574 2.411 9.493
249 HB3 LYS 31 HB1 LYS 31 -10.815 3.193 7.938
250 HG2 LYS 31 HG2 LYS 31 -12.974 4.056 8.715
251 HG3 LYS 31 HG1 LYS 31 -12.707 3.289 10.281
252 HD2 LYS 31 HD2 LYS 31 -12.122 5.623 10.433
253 HD3 LYS 31 HD1 LYS 31 -10.655 4.651 10.550
254 HE2 LYS 31 HE2 LYS 31 -10.188 5.086 8.184
255 HE3 LYS 31 HE1 LYS 31 -11.653 6.058 8.074
256 HZ1 LYS 31 HZ1 LYS 31 -10.699 7.546 9.759
257 HZ2 LYS 31 HZ2 LYS 31 -9.757 7.477 8.357
258 HZ3 LYS 31 HZ3 LYS 31 -9.268 6.643 9.742
259 HN1 NH2 32 HN1 NH2 32 -13.865 0.076 7.265
260 HN2 NH2 32 HN2 NH2 32 -14.494 1.126 6.044
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 13.458 -0.081 2.687
2 H2 ARG 1 HT2 ARG 1 14.111 -1.641 2.629
3 H3 ARG 1 HT3 ARG 1 14.368 -0.666 3.987
4 HA ARG 1 HA ARG 1 12.714 -2.355 4.420
5 HB2 ARG 1 HB2 ARG 1 12.556 -0.234 5.619
6 HB3 ARG 1 HB1 ARG 1 11.640 0.472 4.296
7 HG2 ARG 1 HG2 ARG 1 10.132 -0.090 6.061
8 HG3 ARG 1 HG1 ARG 1 9.852 -1.195 4.714
9 HD2 ARG 1 HD2 ARG 1 11.335 -2.847 5.884
10 HD3 ARG 1 HD1 ARG 1 11.351 -1.759 7.269
11 HE ARG 1 HE ARG 1 8.692 -2.184 6.647
12 HH11 ARG 1 HH11 ARG 1 11.422 -4.109 7.688
13 HH12 ARG 1 HH12 ARG 1 10.442 -5.291 8.489
14 HH21 ARG 1 HH21 ARG 1 8.145 -5.081 8.485
15 HH22 ARG 1 HH22 ARG 1 7.401 -3.729 7.689
16 HA PRO 2 HA PRO 2 10.157 -3.042 0.798
17 HB2 PRO 2 HB2 PRO 2 9.597 -5.624 1.282
18 HB3 PRO 2 HB1 PRO 2 11.173 -5.110 0.661
19 HG2 PRO 2 HG2 PRO 2 10.394 -5.942 3.410
20 HG3 PRO 2 HG1 PRO 2 11.923 -6.189 2.549
21 HD2 PRO 2 HD2 PRO 2 11.410 -4.209 4.465
22 HD3 PRO 2 HD1 PRO 2 12.781 -4.240 3.338
23 H PHE 3 HN PHE 3 8.527 -1.624 1.579
24 HA PHE 3 HA PHE 3 6.591 -2.401 3.515
25 HB2 PHE 3 HB2 PHE 3 6.425 -0.390 1.259
26 HB3 PHE 3 HB1 PHE 3 5.225 -0.568 2.531
27 HD1 PHE 3 HD1 PHE 3 8.342 0.925 1.581
28 HD2 PHE 3 HD2 PHE 3 5.908 -0.138 4.903
29 HE1 PHE 3 HE1 PHE 3 9.605 2.485 2.997
30 HE2 PHE 3 HE2 PHE 3 7.167 1.426 6.329
31 HZ PHE 3 HZ PHE 3 9.019 2.739 5.376
32 H NLE 4 HN NLE 4 4.603 -3.448 3.211
33 HA NLE 4 HA NLE 4 4.020 -4.370 0.505
34 HB2 NLE 4 HB1 NLE 4 4.476 -6.216 2.845
35 HB3 NLE 4 HB2 NLE 4 5.492 -6.078 1.421
36 HG2 NLE 4 HG1 NLE 4 3.661 -6.913 0.030
37 HG3 NLE 4 HG2 NLE 4 2.639 -7.048 1.460
38 HD2 NLE 4 HD1 NLE 4 4.214 -8.671 2.426
39 HD3 NLE 4 HD2 NLE 4 5.209 -8.554 0.967
40 HE1 NLE 4 HE1 NLE 4 2.340 -9.477 1.085
41 HE2 NLE 4 HE2 NLE 4 3.754 -10.511 0.874
42 HE3 NLE 4 HE3 NLE 4 3.318 -9.345 -0.375
43 H CYS 5 HN CYS 5 1.942 -4.210 0.098
44 HA CYS 5 HA CYS 5 -0.010 -4.076 2.218
45 HB2 CYS 5 HB2 CYS 5 -0.416 -2.710 0.269
46 HB3 CYS 5 HB1 CYS 5 -0.278 -4.107 -0.792
47 H THR 6 HN THR 6 -0.838 -5.820 3.128
48 HA THR 6 HA THR 6 -0.783 -8.343 1.612
49 HB THR 6 HB THR 6 0.809 -8.355 3.482
50 HG1 THR 6 HG1 THR 6 -1.364 -10.073 3.340
51 HG21 THR 6 HG21 THR 6 0.005 -8.264 5.805
52 HG22 THR 6 HG22 THR 6 -1.609 -7.865 5.219
53 HG23 THR 6 HG23 THR 6 -0.273 -6.748 4.947
54 H TRP 7 HN TRP 7 -2.802 -6.154 1.952
55 HA TRP 7 HA TRP 7 -4.938 -7.107 3.547
56 HB2 TRP 7 HB2 TRP 7 -4.664 -4.742 2.832
57 HB3 TRP 7 HB1 TRP 7 -5.014 -5.220 1.175
58 HD1 TRP 7 HD1 TRP 7 -6.688 -4.371 4.448
59 HE1 TRP 7 HE1 TRP 7 -9.237 -4.366 4.130
60 HE3 TRP 7 HE3 TRP 7 -6.930 -6.458 -0.218
61 HZ2 TRP 7 HZ2 TRP 7 -11.105 -5.149 2.168
62 HZ3 TRP 7 HZ3 TRP 7 -9.143 -6.802 -1.232
63 HH2 TRP 7 HH2 TRP 7 -11.178 -6.162 -0.069
64 HA DPR 8 HA DPR 8 -7.758 -9.238 0.742
65 HB2 DPR 8 HB2 DPR 8 -8.684 -10.858 2.071
66 HB3 DPR 8 HB1 DPR 8 -7.114 -11.419 2.658
67 HG2 DPR 8 HG2 DPR 8 -8.723 -9.049 3.525
68 HG3 DPR 8 HG1 DPR 8 -7.846 -10.229 4.520
69 HD2 DPR 8 HD2 DPR 8 -6.846 -7.780 3.952
70 HD3 DPR 8 HD1 DPR 8 -5.809 -9.207 4.152
71 H GLY 9 HN GLY 9 -7.106 -10.054 -1.146
72 HA2 GLY 9 HA2 GLY 9 -4.966 -12.079 -1.159
73 HA3 GLY 9 HA1 GLY 9 -6.179 -11.867 -2.419
74 H CYS 10 HN CYS 10 -4.780 -9.051 -1.094
75 HA CYS 10 HA CYS 10 -3.394 -8.522 -3.608
76 HB2 CYS 10 HB2 CYS 10 -5.011 -6.874 -2.752
77 HB3 CYS 10 HB1 CYS 10 -4.085 -6.728 -1.268
78 H GLY 11 HN GLY 11 -1.197 -8.347 -3.743
79 HA2 GLY 11 HA2 GLY 11 0.349 -8.354 -1.234
80 HA3 GLY 11 HA1 GLY 11 0.715 -9.506 -2.514
81 H LYS 12 HN LYS 12 -0.077 -6.052 -2.565
82 HA LYS 12 HA LYS 12 1.919 -5.572 -4.585
83 HB2 LYS 12 HB2 LYS 12 -0.440 -4.459 -4.221
84 HB3 LYS 12 HB1 LYS 12 0.458 -3.386 -3.158
85 HG2 LYS 12 HG2 LYS 12 0.339 -2.329 -5.268
86 HG3 LYS 12 HG1 LYS 12 1.993 -2.920 -5.087
87 HD2 LYS 12 HD2 LYS 12 1.510 -4.825 -6.489
88 HD3 LYS 12 HD1 LYS 12 -0.194 -4.375 -6.569
89 HE2 LYS 12 HE2 LYS 12 0.956 -3.745 -8.612
90 HE3 LYS 12 HE1 LYS 12 0.406 -2.315 -7.743
91 HZ1 LYS 12 HZ1 LYS 12 2.668 -2.089 -8.616
92 HZ2 LYS 12 HZ2 LYS 12 3.172 -3.386 -7.660
93 HZ3 LYS 12 HZ3 LYS 12 2.627 -1.962 -6.932
94 H ARG 13 HN ARG 13 3.951 -4.864 -4.260
95 HA ARG 13 HA ARG 13 4.702 -4.177 -1.505
96 HB2 ARG 13 HB2 ARG 13 6.246 -5.471 -3.736
97 HB3 ARG 13 HB1 ARG 13 7.040 -4.808 -2.314
98 HG2 ARG 13 HG2 ARG 13 5.864 -6.320 -0.875
99 HG3 ARG 13 HG1 ARG 13 4.883 -6.898 -2.224
100 HD2 ARG 13 HD2 ARG 13 6.751 -7.941 -3.247
101 HD3 ARG 13 HD1 ARG 13 7.881 -7.139 -2.159
102 HE ARG 13 HE ARG 13 6.931 -8.517 -0.356
103 HH11 ARG 13 HH11 ARG 13 6.280 -11.235 -3.240
104 HH12 ARG 13 HH12 ARG 13 6.428 -9.562 -3.661
105 HH21 ARG 13 HH21 ARG 13 6.726 -10.706 0.199
106 HH22 ARG 13 HH22 ARG 13 6.440 -11.891 -1.038
107 H PHE 14 HN PHE 14 6.062 -2.480 -1.065
108 HA PHE 14 HA PHE 14 6.556 -0.541 -3.215
109 HB2 PHE 14 HB2 PHE 14 5.327 0.124 -0.533
110 HB3 PHE 14 HB1 PHE 14 5.685 1.266 -1.827
111 HD1 PHE 14 HD1 PHE 14 3.419 -1.295 -0.620
112 HD2 PHE 14 HD2 PHE 14 4.340 1.314 -3.844
113 HE1 PHE 14 HE1 PHE 14 1.158 -1.631 -1.530
114 HE2 PHE 14 HE2 PHE 14 2.086 0.984 -4.767
115 HZ PHE 14 HZ PHE 14 0.533 -0.593 -3.668
116 H THR 15 HN THR 15 8.101 1.139 -2.541
117 HA THR 15 HA THR 15 10.033 0.110 -0.585
118 HB THR 15 HB THR 15 10.520 2.214 -2.704
119 HG1 THR 15 HG1 THR 15 11.011 -0.600 -2.832
120 HG21 THR 15 HG21 THR 15 12.154 2.149 -0.866
121 HG22 THR 15 HG22 THR 15 12.875 1.613 -2.383
122 HG23 THR 15 HG23 THR 15 12.413 0.430 -1.161
123 H ARG 16 HN ARG 16 7.774 2.592 -1.208
124 HA ARG 16 HA ARG 16 8.811 4.148 1.066
125 HB2 ARG 16 HB2 ARG 16 7.220 5.174 -1.295
126 HB3 ARG 16 HB1 ARG 16 7.821 6.144 0.043
127 HG2 ARG 16 HG2 ARG 16 10.116 5.625 -0.624
128 HG3 ARG 16 HG1 ARG 16 9.500 4.669 -1.973
129 HD2 ARG 16 HD2 ARG 16 8.364 6.696 -2.821
130 HD3 ARG 16 HD1 ARG 16 9.117 7.623 -1.526
131 HE ARG 16 HE ARG 16 11.068 6.220 -3.038
132 HH11 ARG 16 HH11 ARG 16 8.986 9.026 -3.101
133 HH12 ARG 16 HH12 ARG 16 9.985 9.908 -4.212
134 HH21 ARG 16 HH21 ARG 16 12.396 7.372 -4.505
135 HH22 ARG 16 HH22 ARG 16 11.928 8.964 -5.013
136 H SER 17 HN SER 17 7.383 4.740 2.642
137 HA SER 17 HA SER 17 5.156 3.032 3.009
138 HB2 SER 17 HB2 SER 17 6.570 3.824 4.870
139 HB3 SER 17 HB1 SER 17 5.981 5.467 4.607
140 HG SER 17 HG SER 17 4.585 3.204 5.564
141 H ASP 18 HN ASP 18 5.461 6.393 1.974
142 HA ASP 18 HA ASP 18 2.699 7.005 2.305
143 HB2 ASP 18 HB2 ASP 18 3.100 9.026 1.085
144 HB3 ASP 18 HB1 ASP 18 4.479 8.747 2.131
145 H GLU 19 HN GLU 19 4.548 5.503 -0.221
146 HA GLU 19 HA GLU 19 2.551 5.547 -2.221
147 HB2 GLU 19 HB2 GLU 19 4.911 3.731 -1.741
148 HB3 GLU 19 HB1 GLU 19 3.843 3.561 -3.123
149 HG2 GLU 19 HG2 GLU 19 5.282 6.117 -2.502
150 HG3 GLU 19 HG1 GLU 19 5.982 4.841 -3.498
151 H LEU 20 HN LEU 20 3.462 3.199 0.267
152 HA LEU 20 HA LEU 20 1.464 1.302 -0.257
153 HB2 LEU 20 HB2 LEU 20 3.282 0.715 1.173
154 HB3 LEU 20 HB1 LEU 20 2.915 2.024 2.279
155 HG LEU 20 HG LEU 20 0.831 0.887 2.934
156 HD11 LEU 20 HD11 LEU 20 0.469 -1.446 2.248
157 HD12 LEU 20 HD12 LEU 20 1.803 -1.297 1.105
158 HD13 LEU 20 HD13 LEU 20 0.352 -0.316 0.898
159 HD21 LEU 20 HD21 LEU 20 1.830 -0.834 4.264
160 HD22 LEU 20 HD22 LEU 20 2.977 0.501 4.142
161 HD23 LEU 20 HD23 LEU 20 3.205 -0.953 3.169
162 H GLN 21 HN GLN 21 1.474 4.150 1.858
163 HA GLN 21 HA GLN 21 -1.076 3.797 2.963
164 HB2 GLN 21 HB2 GLN 21 0.572 6.271 2.468
165 HB3 GLN 21 HB1 GLN 21 -0.994 6.329 3.265
166 HG2 GLN 21 HG2 GLN 21 -0.186 4.903 5.040
167 HG3 GLN 21 HG1 GLN 21 1.363 4.719 4.222
168 HE21 GLN 21 HE21 GLN 21 2.838 6.390 4.269
169 HE22 GLN 21 HE22 GLN 21 2.676 7.754 5.321
170 H ARG 22 HN ARG 22 -0.082 5.747 0.146
171 HA ARG 22 HA ARG 22 -2.589 6.586 -0.697
172 HB2 ARG 22 HB2 ARG 22 -0.698 7.505 -1.781
173 HB3 ARG 22 HB1 ARG 22 -0.074 5.920 -2.216
174 HG2 ARG 22 HG2 ARG 22 -0.937 7.030 -4.166
175 HG3 ARG 22 HG1 ARG 22 -1.931 5.629 -3.783
176 HD2 ARG 22 HD2 ARG 22 -3.557 7.148 -2.667
177 HD3 ARG 22 HD1 ARG 22 -2.586 8.520 -3.206
178 HE ARG 22 HE ARG 22 -3.046 7.243 -5.515
179 HH11 ARG 22 HH11 ARG 22 -6.589 8.340 -3.967
180 HH12 ARG 22 HH12 ARG 22 -5.209 8.181 -2.928
181 HH21 ARG 22 HH21 ARG 22 -4.859 7.450 -6.887
182 HH22 ARG 22 HH22 ARG 22 -6.391 7.915 -6.215
183 H HIS 23 HN HIS 23 -0.831 3.646 -1.646
184 HA HIS 23 HA HIS 23 -2.780 2.566 -3.308
185 HB2 HIS 23 HB2 HIS 23 -0.616 1.622 -3.395
186 HB3 HIS 23 HB1 HIS 23 -0.592 1.317 -1.664
187 HD1 HIS 23 HD1 HIS 23 -1.539 -0.267 -4.899
188 HD2 HIS 23 HD2 HIS 23 -2.176 -0.865 -0.818
189 HE1 HIS 23 HE1 HIS 23 -2.533 -2.608 -4.646
190 H LYS 24 HN LYS 24 -2.281 2.079 0.177
191 HA LYS 24 HA LYS 24 -4.227 0.103 0.521
192 HB2 LYS 24 HB2 LYS 24 -2.429 0.683 2.145
193 HB3 LYS 24 HB1 LYS 24 -3.308 2.150 2.545
194 HG2 LYS 24 HG2 LYS 24 -3.663 0.437 4.217
195 HG3 LYS 24 HG1 LYS 24 -5.170 0.815 3.382
196 HD2 LYS 24 HD2 LYS 24 -5.101 -1.190 2.139
197 HD3 LYS 24 HD1 LYS 24 -3.413 -1.488 2.562
198 HE2 LYS 24 HE2 LYS 24 -4.984 -2.943 3.790
199 HE3 LYS 24 HE1 LYS 24 -4.030 -1.920 4.860
200 HZ1 LYS 24 HZ1 LYS 24 -6.835 -1.410 4.026
201 HZ2 LYS 24 HZ2 LYS 24 -5.920 -0.425 5.047
202 HZ3 LYS 24 HZ3 LYS 24 -6.340 -1.986 5.535
203 H ARG 25 HN ARG 25 -4.494 3.546 0.260
204 HA ARG 25 HA ARG 25 -7.079 3.751 1.436
205 HB2 ARG 25 HB2 ARG 25 -5.497 5.629 -0.309
206 HB3 ARG 25 HB1 ARG 25 -7.060 6.040 0.391
207 HG2 ARG 25 HG2 ARG 25 -6.209 5.837 2.605
208 HG3 ARG 25 HG1 ARG 25 -4.691 5.157 2.017
209 HD2 ARG 25 HD2 ARG 25 -4.250 7.311 0.849
210 HD3 ARG 25 HD1 ARG 25 -5.695 7.975 1.613
211 HE ARG 25 HE ARG 25 -4.510 7.359 3.780
212 HH11 ARG 25 HH11 ARG 25 -1.427 8.888 1.706
213 HH12 ARG 25 HH12 ARG 25 -2.831 8.327 0.861
214 HH21 ARG 25 HH21 ARG 25 -1.331 8.758 4.003
215 HH22 ARG 25 HH22 ARG 25 -2.659 8.079 4.892
216 H THR 26 HN THR 26 -6.094 2.450 -1.498
217 HA THR 26 HA THR 26 -8.549 3.102 -2.888
218 HB THR 26 HB THR 26 -7.774 1.667 -4.682
219 HG1 THR 26 HG1 THR 26 -5.458 1.069 -3.139
220 HG21 THR 26 HG21 THR 26 -5.526 3.366 -3.598
221 HG22 THR 26 HG22 THR 26 -6.867 3.934 -4.592
222 HG23 THR 26 HG23 THR 26 -5.685 2.809 -5.264
223 H HIS 27 HN HIS 27 -7.347 0.625 -0.766
224 HA HIS 27 HA HIS 27 -9.505 -1.214 -1.339
225 HB2 HIS 27 HB2 HIS 27 -7.562 -1.127 0.977
226 HB3 HIS 27 HB1 HIS 27 -8.755 -2.391 0.729
227 HD1 HIS 27 HD1 HIS 27 -8.362 -3.655 -1.823
228 HD2 HIS 27 HD2 HIS 27 -5.167 -1.794 0.106
229 HE1 HIS 27 HE1 HIS 27 -6.226 -4.676 -2.780
230 H THR 28 HN THR 28 -8.772 1.342 0.940
231 HA THR 28 HA THR 28 -10.937 0.771 2.699
232 HB THR 28 HB THR 28 -8.780 2.117 3.209
233 HG1 THR 28 HG1 THR 28 -10.571 1.813 4.668
234 HG21 THR 28 HG21 THR 28 -9.079 3.803 1.432
235 HG22 THR 28 HG22 THR 28 -9.001 4.536 3.033
236 HG23 THR 28 HG23 THR 28 -10.556 4.352 2.222
237 H GLY 29 HN GLY 29 -12.557 2.599 3.180
238 HA2 GLY 29 HA2 GLY 29 -13.648 4.382 1.490
239 HA3 GLY 29 HA1 GLY 29 -14.142 2.853 0.773
240 H GLU 30 HN GLU 30 -14.687 1.272 2.796
241 HA GLU 30 HA GLU 30 -16.944 2.503 4.146
242 HB2 GLU 30 HB2 GLU 30 -15.926 -0.348 4.150
243 HB3 GLU 30 HB1 GLU 30 -17.395 0.194 4.943
244 HG2 GLU 30 HG2 GLU 30 -16.870 0.359 1.987
245 HG3 GLU 30 HG1 GLU 30 -17.819 -0.893 2.787
246 H LYS 31 HN LYS 31 -14.928 3.804 5.076
247 HA LYS 31 HA LYS 31 -14.646 3.075 7.819
248 HB2 LYS 31 HB2 LYS 31 -12.948 1.595 6.774
249 HB3 LYS 31 HB1 LYS 31 -12.167 3.007 6.084
250 HG2 LYS 31 HG2 LYS 31 -10.989 2.211 8.054
251 HG3 LYS 31 HG1 LYS 31 -11.645 3.828 8.314
252 HD2 LYS 31 HD2 LYS 31 -13.462 2.944 9.612
253 HD3 LYS 31 HD1 LYS 31 -12.992 1.288 9.221
254 HE2 LYS 31 HE2 LYS 31 -12.286 1.929 11.481
255 HE3 LYS 31 HE1 LYS 31 -10.912 1.566 10.442
256 HZ1 LYS 31 HZ1 LYS 31 -10.651 3.982 10.091
257 HZ2 LYS 31 HZ2 LYS 31 -10.453 3.528 11.706
258 HZ3 LYS 31 HZ3 LYS 31 -11.890 4.265 11.208
259 HN1 NH2 32 HN1 NH2 32 -15.732 5.167 7.611
260 HN2 NH2 32 HN2 NH2 32 -14.778 6.606 7.479