Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
580685 | 2mn3 RC | 19878 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H1 ARG 1 -9.424 10.460 4.078
2 HA ARG 1 HA ARG 1 -9.970 11.456 1.435
3 HB3 ARG 1 HB3 ARG 1 -8.571 13.424 2.278
4 HG3 ARG 1 HG3 ARG 1 -10.748 12.900 4.240
5 HD3 ARG 1 HD3 ARG 1 -9.787 15.228 2.602
6 HE ARG 1 HE ARG 1 -11.963 15.922 2.654
7 HH11 ARG 1 HH11 ARG 1 -11.205 14.353 5.668
8 HH12 ARG 1 HH12 ARG 1 -12.709 14.775 6.416
9 HH21 ARG 1 HH22 ARG 1 -13.948 16.483 3.628
10 HH22 ARG 1 HH21 ARG 1 -14.270 15.985 5.254
11 H ARG 2 H ARG 2 -7.253 10.056 3.123
12 HA ARG 2 HA ARG 2 -5.233 10.844 1.300
13 HB3 ARG 2 HB3 ARG 2 -4.573 10.127 3.479
14 HG3 ARG 2 HG3 ARG 2 -4.897 7.342 3.497
15 HD3 ARG 2 HD3 ARG 2 -6.014 9.640 5.060
16 HE ARG 2 HE ARG 2 -7.637 8.210 5.793
17 HH11 ARG 2 HH11 ARG 2 -4.677 6.431 5.369
18 HH12 ARG 2 HH12 ARG 2 -5.299 4.973 6.067
19 HH21 ARG 2 HH22 ARG 2 -8.470 6.297 6.715
20 HH22 ARG 2 HH21 ARG 2 -7.457 4.897 6.832
21 H ARG 3 H ARG 3 -5.228 10.319 -0.783
22 HA ARG 3 HA ARG 3 -5.010 7.688 -1.704
23 HB3 ARG 3 HB3 ARG 3 -7.575 8.688 -2.771
24 HG3 ARG 3 HG3 ARG 3 -8.155 6.224 -2.182
25 HD3 ARG 3 HD3 ARG 3 -6.148 6.009 -4.239
26 HE ARG 3 HE ARG 3 -8.014 4.792 -4.794
27 HH11 ARG 3 HH11 ARG 3 -8.919 8.092 -4.156
28 HH12 ARG 3 HH12 ARG 3 -10.538 7.900 -4.741
29 HH21 ARG 3 HH22 ARG 3 -10.144 4.525 -5.567
30 HH22 ARG 3 HH21 ARG 3 -11.233 5.869 -5.543
31 H ARG 4 H ARG 4 -6.121 10.950 -2.501
32 HA ARG 4 HA ARG 4 -4.774 10.721 -5.108
33 HB3 ARG 4 HB3 ARG 4 -7.130 11.302 -5.279
34 HG3 ARG 4 HG3 ARG 4 -6.496 13.766 -3.670
35 HD3 ARG 4 HD3 ARG 4 -8.738 12.929 -5.383
36 HE ARG 4 HE ARG 4 -9.332 13.301 -2.684
37 HH11 ARG 4 HH11 ARG 4 -10.259 14.588 -5.784
38 HH12 ARG 4 HH12 ARG 4 -11.864 15.004 -5.276
39 HH21 ARG 4 HH22 ARG 4 -11.440 13.847 -2.004
40 HH22 ARG 4 HH21 ARG 4 -12.534 14.583 -3.127
41 H ARG 5 H ARG 5 -4.923 12.527 -2.123
42 HA ARG 5 HA ARG 5 -3.354 14.736 -2.873
43 HB3 ARG 5 HB3 ARG 5 -2.777 14.432 -0.224
44 HG3 ARG 5 HG3 ARG 5 -5.527 15.355 -0.721
45 HD3 ARG 5 HD3 ARG 5 -4.438 17.431 0.326
46 HE ARG 5 HE ARG 5 -4.199 15.443 2.349
47 HH11 ARG 5 HH11 ARG 5 -6.475 16.986 0.211
48 HH12 ARG 5 HH12 ARG 5 -7.838 16.693 1.240
49 HH21 ARG 5 HH22 ARG 5 -5.986 15.053 3.711
50 HH22 ARG 5 HH21 ARG 5 -7.559 15.595 3.231
51 H ARG 6 H ARG 6 -2.272 12.123 -0.706
52 HA ARG 6 HA ARG 6 0.008 11.424 -2.207
53 HB3 ARG 6 HB3 ARG 6 0.559 13.259 0.132
54 HG3 ARG 6 HG3 ARG 6 2.226 11.357 -0.552
55 HD3 ARG 6 HD3 ARG 6 2.122 12.956 -2.917
56 HE ARG 6 HE ARG 6 4.463 13.493 -1.380
57 HH11 ARG 6 HH11 ARG 6 3.311 12.891 -4.611
58 HH12 ARG 6 HH12 ARG 6 4.607 13.751 -5.373
59 HH21 ARG 6 HH22 ARG 6 6.174 14.629 -2.372
60 HH22 ARG 6 HH21 ARG 6 6.236 14.738 -4.098
61 HA PRO 7 HA PRO 7 -1.294 8.628 1.268
62 HB3 PRO 7 HB3 PRO 7 -2.856 7.584 -0.055
63 HG3 PRO 7 HG3 PRO 7 -2.686 7.629 -2.373
64 HD3 PRO 7 HD3 PRO 7 -2.433 9.873 -1.914
65 HA PRO 8 HA PRO 8 2.606 6.699 1.896
66 HB3 PRO 8 HB3 PRO 8 1.761 5.787 3.828
67 HG3 PRO 8 HG3 PRO 8 -0.420 4.987 3.924
68 HD3 PRO 8 HD3 PRO 8 -0.801 7.068 3.007
69 H CYS 9 H CYS 9 0.319 4.336 0.506
70 HA CYS 9 HA CYS 9 2.178 2.616 -0.631
71 HB3 CYS 9 HB3 CYS 9 -0.293 3.090 -2.193
72 H GLU 10 H GLU 10 1.151 5.762 -1.648
73 HA GLU 10 HA GLU 10 2.140 5.498 -4.343
74 HB3 GLU 10 HB3 GLU 10 1.260 7.927 -2.773
75 HG3 GLU 10 HG3 GLU 10 2.108 7.614 -5.616
76 H ASP 11 H ASP 11 3.132 7.359 -1.470
77 HA ASP 11 HA ASP 11 5.435 8.507 -2.454
78 HB3 ASP 11 HB3 ASP 11 6.047 7.771 0.190
79 H VAL 12 H VAL 12 5.168 5.374 -0.777
80 HA VAL 12 HA VAL 12 7.908 4.707 -1.435
81 HB VAL 12 HB VAL 12 7.568 2.679 -0.188
82 HG11 VAL 12 HG11 VAL 12 6.343 5.113 1.089
83 HG12 VAL 12 HG12 VAL 12 6.713 3.638 1.984
84 HG13 VAL 12 HG13 VAL 12 8.008 4.545 1.204
85 HG21 VAL 12 HG21 VAL 12 5.585 1.671 -0.412
86 HG22 VAL 12 HG22 VAL 12 5.023 2.749 0.866
87 HG23 VAL 12 HG23 VAL 12 4.772 3.179 -0.826
88 H ASN 13 H ASN 13 4.948 4.502 -2.991
89 HA ASN 13 HA ASN 13 4.162 3.369 -4.803
90 HB3 ASN 13 HB3 ASN 13 5.771 2.927 -6.569
91 HD21 ASN 13 HD22 ASN 13 7.953 4.910 -4.847
92 HD22 ASN 13 HD21 ASN 13 7.436 6.429 -5.486
93 H GLY 14 H GLY 14 3.366 1.686 -3.352
94 HA2 GLY 14 HA2 GLY 14 4.919 -0.817 -3.508
95 HA3 GLY 14 HA3 GLY 14 3.692 -0.468 -2.299
96 H GLN 15 H GLN 15 3.205 -2.758 -3.235
97 HA GLN 15 HA GLN 15 1.483 -2.530 -5.601
98 HB3 GLN 15 HB3 GLN 15 1.623 -5.220 -4.796
99 HG3 GLN 15 HG3 GLN 15 3.381 -5.254 -6.754
100 HE21 GLN 15 HE22 GLN 15 2.498 -6.420 -8.321
101 HE22 GLN 15 HE21 GLN 15 0.812 -6.490 -8.692
102 H CYS 16 H CYS 16 -0.530 -3.899 -5.540
103 HA CYS 16 HA CYS 16 -1.793 -3.704 -2.883
104 HB3 CYS 16 HB3 CYS 16 -3.933 -3.316 -4.103
105 H GLN 17 H GLN 17 -2.047 -5.674 -2.067
106 HA GLN 17 HA GLN 17 -3.483 -7.680 -3.558
107 HB3 GLN 17 HB3 GLN 17 -1.658 -8.747 -4.306
108 HG3 GLN 17 HG3 GLN 17 0.053 -7.360 -2.256
109 HE21 GLN 17 HE22 GLN 17 1.014 -9.526 -2.040
110 HE22 GLN 17 HE21 GLN 17 2.184 -10.022 -3.209
111 HA PRO 18 HA PRO 18 -4.926 -8.889 0.401
112 HB3 PRO 18 HB3 PRO 18 -6.229 -10.468 -0.644
113 HG3 PRO 18 HG3 PRO 18 -5.425 -11.670 -2.465
114 HD3 PRO 18 HD3 PRO 18 -4.906 -9.528 -3.143
115 H ARG 19 H ARG 19 -4.542 -10.836 2.093
116 HA ARG 19 HA ARG 19 -1.782 -10.541 2.901
117 HB3 ARG 19 HB3 ARG 19 -2.460 -11.502 4.991
118 HG3 ARG 19 HG3 ARG 19 -3.594 -9.208 4.079
119 HD3 ARG 19 HD3 ARG 19 -5.724 -11.191 4.521
120 HE ARG 19 HE ARG 19 -6.680 -8.652 5.351
121 HH11 ARG 19 HH11 ARG 19 -5.037 -11.496 6.501
122 HH12 ARG 19 HH12 ARG 19 -5.576 -11.306 8.137
123 HH21 ARG 19 HH22 ARG 19 -7.397 -8.389 7.501
124 HH22 ARG 19 HH21 ARG 19 -6.920 -9.538 8.704
125 H GLY 20 H GLY 20 -3.428 -12.675 0.958
126 HA2 GLY 20 HA2 GLY 20 -2.078 -15.096 1.782
127 HA3 GLY 20 HA3 GLY 20 -3.121 -14.905 0.380
128 H ASN 21 H ASN 21 -0.065 -13.389 1.421
129 HA ASN 21 HA ASN 21 1.412 -14.600 -0.715
130 HB3 ASN 21 HB3 ASN 21 0.675 -13.050 -2.233
131 HD21 ASN 21 HD22 ASN 21 -1.256 -12.139 -2.238
132 HD22 ASN 21 HD21 ASN 21 -1.721 -10.755 -1.314
133 HA PRO 22 HA PRO 22 4.794 -13.720 1.940
134 HB3 PRO 22 HB3 PRO 22 6.092 -14.991 0.535
135 HG3 PRO 22 HG3 PRO 22 5.788 -14.920 -1.770
136 HD3 PRO 22 HD3 PRO 22 3.612 -15.261 -1.093
137 H CYS 23 H CYS 23 3.890 -11.439 -0.493
138 HA CYS 23 HA CYS 23 5.698 -9.385 -0.169
139 HB3 CYS 23 HB3 CYS 23 2.807 -8.671 -0.336
140 H LEU 24 H LEU 24 6.024 -7.754 1.274
141 HA LEU 24 HA LEU 24 5.253 -8.153 3.955
142 HB3 LEU 24 HB3 LEU 24 6.071 -5.432 3.250
143 HG LEU 24 HG LEU 24 6.346 -6.757 5.525
144 HD11 LEU 24 HD11 LEU 24 7.759 -8.500 4.424
145 HD12 LEU 24 HD12 LEU 24 8.504 -7.721 5.819
146 HD13 LEU 24 HD13 LEU 24 8.996 -7.265 4.189
147 HD21 LEU 24 HD21 LEU 24 7.611 -4.485 4.294
148 HD22 LEU 24 HD22 LEU 24 8.709 -5.266 5.431
149 HD23 LEU 24 HD23 LEU 24 7.121 -4.724 5.972
150 H ARG 25 H ARG 25 4.397 -6.065 5.196
151 HA ARG 25 HA ARG 25 1.903 -5.250 3.852
152 HB3 ARG 25 HB3 ARG 25 1.498 -5.040 6.616
153 HG3 ARG 25 HG3 ARG 25 0.128 -6.085 4.521
154 HD3 ARG 25 HD3 ARG 25 1.412 -8.216 4.769
155 HE ARG 25 HE ARG 25 1.641 -8.909 6.935
156 HH11 ARG 25 HH11 ARG 25 -1.659 -7.939 6.400
157 HH12 ARG 25 HH12 ARG 25 -2.210 -8.497 7.945
158 HH21 ARG 25 HH22 ARG 25 0.928 -9.649 8.970
159 HH22 ARG 25 HH21 ARG 25 -0.739 -9.468 9.406
160 H LEU 26 H LEU 26 1.320 -3.133 3.934
161 HA LEU 26 HA LEU 26 3.136 -1.309 5.368
162 HB3 LEU 26 HB3 LEU 26 2.482 0.339 3.531
163 HG LEU 26 HG LEU 26 4.454 -1.785 3.339
164 HD11 LEU 26 HD11 LEU 26 3.984 -0.504 0.714
165 HD12 LEU 26 HD12 LEU 26 2.931 -1.846 1.156
166 HD13 LEU 26 HD13 LEU 26 4.678 -2.077 1.103
167 HD21 LEU 26 HD21 LEU 26 4.377 1.104 2.478
168 HD22 LEU 26 HD22 LEU 26 5.817 0.087 2.493
169 HD23 LEU 26 HD23 LEU 26 4.997 0.475 4.005
170 H ARG 27 H ARG 27 0.060 -0.855 3.643
171 HA ARG 27 HA ARG 27 -1.388 -0.360 6.080
172 HB3 ARG 27 HB3 ARG 27 -2.034 2.000 5.090
173 HG3 ARG 27 HG3 ARG 27 -0.446 1.234 7.184
174 HD3 ARG 27 HD3 ARG 27 1.071 3.421 5.814
175 HE ARG 27 HE ARG 27 1.315 2.412 8.314
176 HH11 ARG 27 HH11 ARG 27 3.372 2.394 5.505
177 HH12 ARG 27 HH12 ARG 27 4.843 2.368 6.422
178 HH21 ARG 27 HH22 ARG 27 3.243 2.376 9.531
179 HH22 ARG 27 HH21 ARG 27 4.769 2.357 8.712
180 H GLY 28 H GLY 28 -3.622 0.777 5.338
181 HA2 GLY 28 HA2 GLY 28 -4.645 -1.023 3.268
182 HA3 GLY 28 HA3 GLY 28 -5.608 -0.150 4.450
183 H ALA 29 H ALA 29 -3.135 1.558 2.748
184 HA ALA 29 HA ALA 29 -4.900 3.501 1.753
185 HB1 ALA 29 HB1 ALA 29 -2.084 3.068 1.805
186 HB2 ALA 29 HB2 ALA 29 -2.558 3.539 0.172
187 HB3 ALA 29 HB3 ALA 29 -2.969 4.570 1.543
188 H CYS 30 H CYS 30 -4.100 0.403 0.575
189 HA CYS 30 HA CYS 30 -4.586 0.916 -2.203
190 HB3 CYS 30 HB3 CYS 30 -4.903 -1.743 -2.040
191 HA PRO 31 HA PRO 31 -8.949 0.556 -2.473
192 HB3 PRO 31 HB3 PRO 31 -8.736 0.678 -4.757
193 HG3 PRO 31 HG3 PRO 31 -6.991 -0.395 -5.858
194 HD3 PRO 31 HD3 PRO 31 -5.805 0.715 -4.224
195 H ARG 32 H ARG 32 -10.772 -0.837 -2.222
196 HA ARG 32 HA ARG 32 -10.508 -2.888 -0.409
197 HB3 ARG 32 HB3 ARG 32 -12.634 -1.767 -0.867
198 HG3 ARG 32 HG3 ARG 32 -13.852 -3.119 -2.892
199 HD3 ARG 32 HD3 ARG 32 -12.442 -0.536 -3.436
200 HE ARG 32 HE ARG 32 -14.762 -1.798 -4.492
201 HH11 ARG 32 HH11 ARG 32 -13.394 1.306 -3.705
202 HH12 ARG 32 HH12 ARG 32 -14.333 2.163 -4.881
203 HH21 ARG 32 HH22 ARG 32 -16.004 -0.679 -6.044
204 HH22 ARG 32 HH21 ARG 32 -15.818 1.034 -6.211
205 H GLY 33 H GLY 33 -10.580 -5.154 -0.525
206 HA2 GLY 33 HA2 GLY 33 -10.538 -7.238 -1.622
207 HA3 GLY 33 HA3 GLY 33 -10.304 -6.403 -3.151
208 H SER 34 H SER 34 -8.145 -4.759 -1.757
209 HA SER 34 HA SER 34 -6.063 -6.782 -1.433
210 HB3 SER 34 HB3 SER 34 -5.034 -6.381 -3.384
211 HG SER 34 HG SER 34 -6.404 -4.609 -4.676
212 H ARG 35 H ARG 35 -3.955 -5.743 -0.766
213 HA ARG 35 HA ARG 35 -4.391 -3.244 0.719
214 HB3 ARG 35 HB3 ARG 35 -3.181 -4.179 2.647
215 HG3 ARG 35 HG3 ARG 35 -5.743 -5.291 1.749
216 HD3 ARG 35 HD3 ARG 35 -4.162 -7.199 2.712
217 HE ARG 35 HE ARG 35 -3.686 -6.725 4.898
218 HH11 ARG 35 HH11 ARG 35 -7.011 -5.917 4.259
219 HH12 ARG 35 HH12 ARG 35 -7.388 -5.594 5.918
220 HH21 ARG 35 HH22 ARG 35 -4.170 -6.302 7.087
221 HH22 ARG 35 HH21 ARG 35 -5.771 -5.812 7.526
222 H CYS 36 H CYS 36 -2.452 -2.077 1.235
223 HA CYS 36 HA CYS 36 -0.560 -2.085 -0.877
224 HB3 CYS 36 HB3 CYS 36 -0.371 -0.671 1.789
225 H CYS 37 H CYS 37 0.813 -3.744 -1.087
226 HA CYS 37 HA CYS 37 2.169 -4.770 1.307
227 HB3 CYS 37 HB3 CYS 37 0.892 -6.246 -0.459
228 H MET 38 H MET 38 4.463 -5.254 1.165
229 HA MET 38 HA MET 38 5.865 -3.262 -0.478
230 HB3 MET 38 HB3 MET 38 7.407 -4.606 1.622
231 HG3 MET 38 HG3 MET 38 7.735 -2.187 2.328
232 HE1 MET 38 HE1 MET 38 9.438 -0.345 0.051
233 HE2 MET 38 HE2 MET 38 9.552 -1.247 -1.461
234 HE3 MET 38 HE3 MET 38 7.970 -0.860 -0.785
235 HA PRO 39 HA PRO 39 7.340 -6.704 -2.894
236 HB3 PRO 39 HB3 PRO 39 7.142 -5.313 -4.712
237 HG3 PRO 39 HG3 PRO 39 7.418 -3.013 -4.499
238 HD3 PRO 39 HD3 PRO 39 5.923 -3.396 -2.785
239 H THR 40 H THR 40 9.460 -7.603 -3.501
240 HA THR 40 HA THR 40 11.335 -7.322 -1.312
241 HB THR 40 HB THR 40 11.547 -9.147 -3.712
242 HG1 THR 40 HG1 THR 40 9.786 -9.950 -2.784
243 HG21 THR 40 HG21 THR 40 12.676 -9.684 -0.995
244 HG22 THR 40 HG22 THR 40 13.543 -8.629 -2.109
245 HG23 THR 40 HG23 THR 40 13.196 -10.297 -2.565
246 H VAL 41 H VAL 41 11.779 -5.036 -2.079
247 HA VAL 41 HA VAL 41 13.930 -5.066 -4.097
248 HB VAL 41 HB VAL 41 13.433 -2.706 -4.548
249 HG11 VAL 41 HG11 VAL 41 12.401 -4.424 -5.935
250 HG12 VAL 41 HG12 VAL 41 11.031 -4.509 -4.825
251 HG13 VAL 41 HG13 VAL 41 11.326 -3.036 -5.751
252 HG21 VAL 41 HG21 VAL 41 10.841 -2.413 -3.497
253 HG22 VAL 41 HG22 VAL 41 11.860 -2.968 -2.169
254 HG23 VAL 41 HG23 VAL 41 12.292 -1.510 -3.063
255 H ALA 42 H ALA 42 15.852 -4.094 -3.607
256 HA ALA 42 HA ALA 42 17.546 -3.264 -2.334
257 HB1 ALA 42 HB1 ALA 42 15.410 -1.514 -1.987
258 HB2 ALA 42 HB2 ALA 42 16.027 -1.809 -0.362
259 HB3 ALA 42 HB3 ALA 42 17.107 -1.207 -1.619
260 H ALA 43 H ALA 43 16.161 -5.762 -1.585
261 HA ALA 43 HA ALA 43 16.290 -7.356 0.034
262 HB1 ALA 43 HB1 ALA 43 18.149 -5.583 1.584
263 HB2 ALA 43 HB2 ALA 43 18.126 -7.344 1.472
264 HB3 ALA 43 HB3 ALA 43 18.665 -6.381 0.096
265 H HIS 44 H HIS 44 14.034 -6.673 0.459
266 HA HIS 44 HA HIS 44 13.774 -5.555 3.175
267 HB3 HIS 44 HB3 HIS 44 11.303 -5.171 2.017
268 HD1 HIS 44 HD1 HIS 44 11.516 -3.606 4.120
269 HD2 HIS 44 HD2 HIS 44 13.801 -2.468 0.843
270 HE1 HIS 44 HE1 HIS 44 12.215 -1.235 4.580
Start of MODEL 2
1 H1 ARG 1 H1 ARG 1 -8.258 4.132 -2.351
2 HA ARG 1 HA ARG 1 -8.072 6.750 -1.075
3 HB3 ARG 1 HB3 ARG 1 -5.689 6.357 -0.490
4 HG3 ARG 1 HG3 ARG 1 -6.355 4.317 1.196
5 HD3 ARG 1 HD3 ARG 1 -6.529 7.271 1.269
6 HE ARG 1 HE ARG 1 -8.264 5.760 2.907
7 HH11 ARG 1 HH11 ARG 1 -5.955 8.361 3.053
8 HH12 ARG 1 HH12 ARG 1 -6.697 9.115 4.425
9 HH21 ARG 1 HH22 ARG 1 -9.250 6.743 4.714
10 HH22 ARG 1 HH21 ARG 1 -8.570 8.195 5.369
11 H ARG 2 H ARG 2 -5.933 7.843 -1.966
12 HA ARG 2 HA ARG 2 -4.984 7.110 -4.514
13 HB3 ARG 2 HB3 ARG 2 -6.374 9.483 -5.220
14 HG3 ARG 2 HG3 ARG 2 -7.294 6.818 -6.168
15 HD3 ARG 2 HD3 ARG 2 -6.641 8.389 -8.312
16 HE ARG 2 HE ARG 2 -9.314 8.823 -7.384
17 HH11 ARG 2 HH11 ARG 2 -7.113 6.457 -8.679
18 HH12 ARG 2 HH12 ARG 2 -8.367 5.470 -9.355
19 HH21 ARG 2 HH22 ARG 2 -10.972 7.535 -8.271
20 HH22 ARG 2 HH21 ARG 2 -10.562 6.085 -9.124
21 H ARG 3 H ARG 3 -4.137 9.302 -5.660
22 HA ARG 3 HA ARG 3 -2.319 10.425 -3.738
23 HB3 ARG 3 HB3 ARG 3 -1.276 11.512 -5.624
24 HG3 ARG 3 HG3 ARG 3 -2.231 8.817 -6.567
25 HD3 ARG 3 HD3 ARG 3 0.503 9.804 -7.074
26 HE ARG 3 HE ARG 3 0.231 7.994 -8.430
27 HH11 ARG 3 HH11 ARG 3 -2.681 9.899 -8.526
28 HH12 ARG 3 HH12 ARG 3 -3.433 8.926 -9.747
29 HH21 ARG 3 HH22 ARG 3 -0.747 6.705 -10.036
30 HH22 ARG 3 HH21 ARG 3 -2.332 7.108 -10.604
31 H ARG 4 H ARG 4 -4.473 11.246 -2.640
32 HA ARG 4 HA ARG 4 -5.218 13.876 -3.691
33 HB3 ARG 4 HB3 ARG 4 -7.020 13.804 -2.005
34 HG3 ARG 4 HG3 ARG 4 -7.788 11.288 -2.872
35 HD3 ARG 4 HD3 ARG 4 -9.102 13.369 -2.950
36 HE ARG 4 HE ARG 4 -7.094 14.492 -4.386
37 HH11 ARG 4 HH11 ARG 4 -10.468 13.896 -5.008
38 HH12 ARG 4 HH12 ARG 4 -10.653 15.268 -6.048
39 HH21 ARG 4 HH22 ARG 4 -7.326 16.302 -5.754
40 HH22 ARG 4 HH21 ARG 4 -8.865 16.636 -6.472
41 H ARG 5 H ARG 5 -3.645 12.322 -0.976
42 HA ARG 5 HA ARG 5 -2.725 14.955 -0.071
43 HB3 ARG 5 HB3 ARG 5 -3.113 14.426 2.241
44 HG3 ARG 5 HG3 ARG 5 -5.684 13.489 1.072
45 HD3 ARG 5 HD3 ARG 5 -6.102 15.706 2.641
46 HE ARG 5 HE ARG 5 -6.881 13.119 2.794
47 HH11 ARG 5 HH11 ARG 5 -5.666 15.399 5.127
48 HH12 ARG 5 HH12 ARG 5 -6.537 14.704 6.454
49 HH21 ARG 5 HH22 ARG 5 -8.033 12.195 4.532
50 HH22 ARG 5 HH21 ARG 5 -7.882 12.881 6.115
51 H ARG 6 H ARG 6 -1.504 12.784 -1.629
52 HA ARG 6 HA ARG 6 0.475 11.675 -1.794
53 HB3 ARG 6 HB3 ARG 6 2.239 12.509 -0.016
54 HG3 ARG 6 HG3 ARG 6 1.502 14.826 -1.623
55 HD3 ARG 6 HD3 ARG 6 3.862 13.098 -2.144
56 HE ARG 6 HE ARG 6 4.238 15.892 -1.683
57 HH11 ARG 6 HH11 ARG 6 3.144 13.544 -4.008
58 HH12 ARG 6 HH12 ARG 6 3.479 14.552 -5.378
59 HH21 ARG 6 HH22 ARG 6 4.684 17.228 -3.477
60 HH22 ARG 6 HH21 ARG 6 4.356 16.647 -5.074
61 HA PRO 7 HA PRO 7 -0.792 8.847 1.674
62 HB3 PRO 7 HB3 PRO 7 -2.505 7.953 0.430
63 HG3 PRO 7 HG3 PRO 7 -2.491 8.070 -1.893
64 HD3 PRO 7 HD3 PRO 7 -2.056 10.276 -1.381
65 HA PRO 8 HA PRO 8 3.001 6.641 1.966
66 HB3 PRO 8 HB3 PRO 8 2.228 5.716 3.922
67 HG3 PRO 8 HG3 PRO 8 0.008 5.059 4.144
68 HD3 PRO 8 HD3 PRO 8 -0.289 7.193 3.323
69 H CYS 9 H CYS 9 0.470 4.485 0.665
70 HA CYS 9 HA CYS 9 2.128 2.692 -0.654
71 HB3 CYS 9 HB3 CYS 9 -0.378 3.337 -2.064
72 H GLU 10 H GLU 10 1.248 5.931 -1.495
73 HA GLU 10 HA GLU 10 2.017 5.707 -4.262
74 HB3 GLU 10 HB3 GLU 10 1.438 8.120 -2.537
75 HG3 GLU 10 HG3 GLU 10 2.757 8.902 -4.357
76 H ASP 11 H ASP 11 3.331 7.546 -1.500
77 HA ASP 11 HA ASP 11 5.670 8.426 -2.663
78 HB3 ASP 11 HB3 ASP 11 6.358 7.801 -0.012
79 H VAL 12 H VAL 12 5.278 5.469 -0.706
80 HA VAL 12 HA VAL 12 7.900 4.514 -1.361
81 HB VAL 12 HB VAL 12 7.340 2.535 -0.124
82 HG11 VAL 12 HG11 VAL 12 7.855 4.379 1.280
83 HG12 VAL 12 HG12 VAL 12 6.234 5.053 1.101
84 HG13 VAL 12 HG13 VAL 12 6.473 3.557 2.004
85 HG21 VAL 12 HG21 VAL 12 4.628 3.241 -0.903
86 HG22 VAL 12 HG22 VAL 12 5.302 1.681 -0.435
87 HG23 VAL 12 HG23 VAL 12 4.756 2.814 0.802
88 H ASN 13 H ASN 13 4.893 4.455 -2.933
89 HA ASN 13 HA ASN 13 4.068 3.351 -4.747
90 HB3 ASN 13 HB3 ASN 13 5.741 2.816 -6.512
91 HD21 ASN 13 HD22 ASN 13 7.637 5.187 -4.964
92 HD22 ASN 13 HD21 ASN 13 6.942 6.573 -5.725
93 H GLY 14 H GLY 14 3.451 1.668 -3.086
94 HA2 GLY 14 HA2 GLY 14 4.972 -0.821 -3.320
95 HA3 GLY 14 HA3 GLY 14 3.663 -0.509 -2.190
96 H GLN 15 H GLN 15 3.199 -2.773 -3.095
97 HA GLN 15 HA GLN 15 1.545 -2.524 -5.520
98 HB3 GLN 15 HB3 GLN 15 1.930 -4.843 -5.972
99 HG3 GLN 15 HG3 GLN 15 4.415 -5.042 -6.020
100 HE21 GLN 15 HE22 GLN 15 5.769 -3.550 -7.442
101 HE22 GLN 15 HE21 GLN 15 4.911 -2.684 -8.665
102 H CYS 16 H CYS 16 -0.578 -2.881 -5.359
103 HA CYS 16 HA CYS 16 -1.734 -3.357 -2.774
104 HB3 CYS 16 HB3 CYS 16 -3.906 -3.222 -4.072
105 H GLN 17 H GLN 17 -1.161 -5.446 -2.181
106 HA GLN 17 HA GLN 17 -2.323 -7.602 -3.818
107 HB3 GLN 17 HB3 GLN 17 -0.607 -9.025 -3.205
108 HG3 GLN 17 HG3 GLN 17 1.025 -6.567 -2.799
109 HE21 GLN 17 HE22 GLN 17 2.253 -7.079 -5.374
110 HE22 GLN 17 HE21 GLN 17 3.221 -8.496 -5.180
111 HA PRO 18 HA PRO 18 -5.084 -8.674 -0.582
112 HB3 PRO 18 HB3 PRO 18 -5.923 -10.290 -1.983
113 HG3 PRO 18 HG3 PRO 18 -4.523 -11.500 -3.391
114 HD3 PRO 18 HD3 PRO 18 -3.829 -9.359 -3.888
115 H ARG 19 H ARG 19 -5.292 -10.570 1.183
116 HA ARG 19 HA ARG 19 -2.861 -10.340 2.783
117 HB3 ARG 19 HB3 ARG 19 -4.864 -9.663 3.912
118 HG3 ARG 19 HG3 ARG 19 -6.336 -12.013 4.300
119 HD3 ARG 19 HD3 ARG 19 -6.774 -9.399 2.924
120 HE ARG 19 HE ARG 19 -8.237 -11.526 2.091
121 HH11 ARG 19 HH11 ARG 19 -8.953 -8.698 3.992
122 HH12 ARG 19 HH12 ARG 19 -10.606 -8.614 3.482
123 HH21 ARG 19 HH22 ARG 19 -10.412 -11.425 1.412
124 HH22 ARG 19 HH21 ARG 19 -11.436 -10.166 2.016
125 H GLY 20 H GLY 20 -2.310 -12.032 0.821
126 HA2 GLY 20 HA2 GLY 20 -1.986 -14.549 2.223
127 HA3 GLY 20 HA3 GLY 20 -2.958 -14.641 0.762
128 H ASN 21 H ASN 21 -0.180 -12.531 1.249
129 HA ASN 21 HA ASN 21 1.319 -14.154 -0.699
130 HB3 ASN 21 HB3 ASN 21 1.034 -12.416 -2.112
131 HD21 ASN 21 HD22 ASN 21 -0.835 -11.418 -2.336
132 HD22 ASN 21 HD21 ASN 21 -1.422 -10.135 -1.339
133 HA PRO 22 HA PRO 22 4.627 -14.109 2.193
134 HB3 PRO 22 HB3 PRO 22 5.616 -15.713 0.877
135 HG3 PRO 22 HG3 PRO 22 5.417 -15.653 -1.440
136 HD3 PRO 22 HD3 PRO 22 3.202 -15.417 -0.844
137 H CYS 23 H CYS 23 4.188 -11.674 -0.129
138 HA CYS 23 HA CYS 23 6.516 -10.139 0.160
139 HB3 CYS 23 HB3 CYS 23 4.625 -9.843 -1.532
140 H LEU 24 H LEU 24 5.800 -7.637 0.995
141 HA LEU 24 HA LEU 24 5.446 -8.055 3.884
142 HB3 LEU 24 HB3 LEU 24 6.668 -5.695 2.458
143 HG LEU 24 HG LEU 24 6.216 -6.236 5.305
144 HD11 LEU 24 HD11 LEU 24 8.293 -5.709 6.148
145 HD12 LEU 24 HD12 LEU 24 8.850 -5.003 4.631
146 HD13 LEU 24 HD13 LEU 24 8.713 -6.754 4.790
147 HD21 LEU 24 HD21 LEU 24 5.370 -4.266 4.091
148 HD22 LEU 24 HD22 LEU 24 7.032 -3.759 3.789
149 HD23 LEU 24 HD23 LEU 24 6.417 -3.828 5.440
150 H ARG 25 H ARG 25 4.295 -6.395 5.093
151 HA ARG 25 HA ARG 25 2.062 -5.296 3.525
152 HB3 ARG 25 HB3 ARG 25 1.306 -5.135 6.171
153 HG3 ARG 25 HG3 ARG 25 0.092 -6.114 4.122
154 HD3 ARG 25 HD3 ARG 25 1.945 -8.100 4.366
155 HE ARG 25 HE ARG 25 0.255 -8.814 6.353
156 HH11 ARG 25 HH11 ARG 25 0.934 -10.136 3.204
157 HH12 ARG 25 HH12 ARG 25 0.577 -11.766 3.668
158 HH21 ARG 25 HH22 ARG 25 -0.217 -10.957 6.975
159 HH22 ARG 25 HH21 ARG 25 -0.078 -12.231 5.813
160 H LEU 26 H LEU 26 1.571 -3.161 3.597
161 HA LEU 26 HA LEU 26 3.397 -1.443 5.141
162 HB3 LEU 26 HB3 LEU 26 2.295 0.232 3.329
163 HG LEU 26 HG LEU 26 4.820 -1.275 3.331
164 HD11 LEU 26 HD11 LEU 26 5.323 -0.337 1.007
165 HD12 LEU 26 HD12 LEU 26 3.574 -0.263 0.797
166 HD13 LEU 26 HD13 LEU 26 4.361 -1.811 1.103
167 HD21 LEU 26 HD21 LEU 26 3.858 1.530 3.212
168 HD22 LEU 26 HD22 LEU 26 5.445 1.176 2.531
169 HD23 LEU 26 HD23 LEU 26 5.107 0.800 4.220
170 H ARG 27 H ARG 27 0.216 -0.910 3.637
171 HA ARG 27 HA ARG 27 -1.064 -0.512 6.183
172 HB3 ARG 27 HB3 ARG 27 -1.773 1.882 5.335
173 HG3 ARG 27 HG3 ARG 27 -0.042 1.037 7.278
174 HD3 ARG 27 HD3 ARG 27 1.374 3.294 5.923
175 HE ARG 27 HE ARG 27 1.856 1.785 8.259
176 HH11 ARG 27 HH11 ARG 27 3.508 3.201 5.541
177 HH12 ARG 27 HH12 ARG 27 5.003 3.408 6.391
178 HH21 ARG 27 HH22 ARG 27 3.818 2.054 9.390
179 HH22 ARG 27 HH21 ARG 27 5.179 2.755 8.581
180 H GLY 28 H GLY 28 -3.316 0.773 5.546
181 HA2 GLY 28 HA2 GLY 28 -4.559 -1.066 3.661
182 HA3 GLY 28 HA3 GLY 28 -5.393 0.022 4.761
183 H ALA 29 H ALA 29 -2.831 1.292 2.826
184 HA ALA 29 HA ALA 29 -4.629 3.117 1.534
185 HB1 ALA 29 HB1 ALA 29 -2.370 3.690 0.305
186 HB2 ALA 29 HB2 ALA 29 -2.650 4.169 1.979
187 HB3 ALA 29 HB3 ALA 29 -1.680 2.740 1.622
188 H CYS 30 H CYS 30 -5.694 0.955 0.660
189 HA CYS 30 HA CYS 30 -5.067 0.900 -2.162
190 HB3 CYS 30 HB3 CYS 30 -5.210 -1.758 -1.915
191 HA PRO 31 HA PRO 31 -9.381 0.246 -2.613
192 HB3 PRO 31 HB3 PRO 31 -9.067 0.297 -4.889
193 HG3 PRO 31 HG3 PRO 31 -7.206 -0.697 -5.866
194 HD3 PRO 31 HD3 PRO 31 -6.175 0.549 -4.224
195 H ARG 32 H ARG 32 -11.116 -1.237 -2.351
196 HA ARG 32 HA ARG 32 -10.782 -3.219 -0.470
197 HB3 ARG 32 HB3 ARG 32 -13.034 -3.891 -0.920
198 HG3 ARG 32 HG3 ARG 32 -12.437 -1.268 -0.478
199 HD3 ARG 32 HD3 ARG 32 -12.913 -1.025 -3.026
200 HE ARG 32 HE ARG 32 -15.364 -2.048 -2.374
201 HH11 ARG 32 HH11 ARG 32 -14.203 0.958 -3.691
202 HH12 ARG 32 HH12 ARG 32 -15.638 1.260 -4.613
203 HH21 ARG 32 HH22 ARG 32 -17.259 -1.663 -3.583
204 HH22 ARG 32 HH21 ARG 32 -17.376 -0.232 -4.550
205 H GLY 33 H GLY 33 -10.663 -5.469 -0.507
206 HA2 GLY 33 HA2 GLY 33 -10.449 -7.586 -1.502
207 HA3 GLY 33 HA3 GLY 33 -10.348 -6.813 -3.075
208 H SER 34 H SER 34 -8.299 -4.958 -1.608
209 HA SER 34 HA SER 34 -6.036 -6.782 -1.413
210 HB3 SER 34 HB3 SER 34 -5.834 -6.371 -3.715
211 HG SER 34 HG SER 34 -6.362 -3.622 -3.250
212 H ARG 35 H ARG 35 -4.018 -5.582 -0.771
213 HA ARG 35 HA ARG 35 -4.582 -3.095 0.674
214 HB3 ARG 35 HB3 ARG 35 -4.843 -4.995 2.253
215 HG3 ARG 35 HG3 ARG 35 -2.253 -5.694 2.884
216 HD3 ARG 35 HD3 ARG 35 -2.899 -7.928 2.185
217 HE ARG 35 HE ARG 35 -5.465 -7.167 3.142
218 HH11 ARG 35 HH11 ARG 35 -2.096 -7.275 4.013
219 HH12 ARG 35 HH12 ARG 35 -2.406 -7.375 5.715
220 HH21 ARG 35 HH22 ARG 35 -5.885 -7.301 5.379
221 HH22 ARG 35 HH21 ARG 35 -4.561 -7.391 6.491
222 H CYS 36 H CYS 36 -2.647 -1.916 1.296
223 HA CYS 36 HA CYS 36 -0.725 -1.853 -0.781
224 HB3 CYS 36 HB3 CYS 36 -0.544 -0.534 1.934
225 H CYS 37 H CYS 37 0.673 -3.482 -1.035
226 HA CYS 37 HA CYS 37 2.116 -4.454 1.344
227 HB3 CYS 37 HB3 CYS 37 0.896 -5.842 -0.921
228 H MET 38 H MET 38 4.326 -4.534 1.319
229 HA MET 38 HA MET 38 5.636 -2.904 -0.682
230 HB3 MET 38 HB3 MET 38 7.436 -4.145 1.210
231 HG3 MET 38 HG3 MET 38 7.027 -1.458 1.889
232 HE1 MET 38 HE1 MET 38 9.974 -2.137 3.095
233 HE2 MET 38 HE2 MET 38 10.314 -0.616 2.267
234 HE3 MET 38 HE3 MET 38 8.702 -0.926 2.914
235 HA PRO 39 HA PRO 39 7.114 -6.220 -3.175
236 HB3 PRO 39 HB3 PRO 39 7.584 -4.620 -4.756
237 HG3 PRO 39 HG3 PRO 39 8.310 -2.500 -4.137
238 HD3 PRO 39 HD3 PRO 39 6.464 -2.699 -2.774
239 H THR 40 H THR 40 9.406 -7.169 -3.781
240 HA THR 40 HA THR 40 10.832 -7.586 -1.239
241 HB THR 40 HB THR 40 10.993 -9.487 -3.557
242 HG1 THR 40 HG1 THR 40 9.188 -10.557 -2.758
243 HG21 THR 40 HG21 THR 40 12.164 -9.373 -1.024
244 HG22 THR 40 HG22 THR 40 12.160 -10.746 -2.131
245 HG23 THR 40 HG23 THR 40 10.910 -10.604 -0.895
246 H VAL 41 H VAL 41 11.540 -5.366 -2.700
247 HA VAL 41 HA VAL 41 13.924 -6.088 -4.233
248 HB VAL 41 HB VAL 41 14.059 -3.684 -4.780
249 HG11 VAL 41 HG11 VAL 41 12.733 -4.085 -6.519
250 HG12 VAL 41 HG12 VAL 41 12.209 -5.553 -5.695
251 HG13 VAL 41 HG13 VAL 41 11.291 -4.059 -5.505
252 HG21 VAL 41 HG21 VAL 41 11.505 -3.466 -3.188
253 HG22 VAL 41 HG22 VAL 41 13.070 -2.794 -2.732
254 HG23 VAL 41 HG23 VAL 41 12.229 -2.184 -4.158
255 H ALA 42 H ALA 42 15.895 -4.701 -3.849
256 HA ALA 42 HA ALA 42 16.455 -4.679 -0.978
257 HB1 ALA 42 HB1 ALA 42 18.459 -4.356 -3.196
258 HB2 ALA 42 HB2 ALA 42 18.748 -4.837 -1.523
259 HB3 ALA 42 HB3 ALA 42 17.910 -5.931 -2.625
260 H ALA 43 H ALA 43 17.603 -2.917 -0.006
261 HA ALA 43 HA ALA 43 17.323 -0.355 -1.430
262 HB1 ALA 43 HB1 ALA 43 16.787 -0.681 1.513
263 HB2 ALA 43 HB2 ALA 43 16.455 0.719 0.493
264 HB3 ALA 43 HB3 ALA 43 15.519 -0.763 0.288
265 H HIS 44 H HIS 44 19.642 -0.924 -1.856
266 HA HIS 44 HA HIS 44 21.859 -0.531 -1.529
267 HB3 HIS 44 HB3 HIS 44 21.512 1.124 0.885
268 HD1 HIS 44 HD1 HIS 44 21.784 3.252 -1.945
269 HD2 HIS 44 HD2 HIS 44 24.394 0.705 0.044
270 HE1 HIS 44 HE1 HIS 44 24.090 4.004 -2.606
Start of MODEL 3
1 H1 ARG 1 H1 ARG 1 -7.057 11.439 6.253
2 HA ARG 1 HA ARG 1 -8.366 9.667 4.849
3 HB3 ARG 1 HB3 ARG 1 -8.475 11.271 2.888
4 HG3 ARG 1 HG3 ARG 1 -9.609 11.528 5.350
5 HD3 ARG 1 HD3 ARG 1 -8.887 14.328 4.805
6 HE ARG 1 HE ARG 1 -8.775 13.344 7.488
7 HH11 ARG 1 HH11 ARG 1 -10.915 14.288 4.910
8 HH12 ARG 1 HH12 ARG 1 -12.225 14.693 5.970
9 HH21 ARG 1 HH22 ARG 1 -10.491 13.875 8.893
10 HH22 ARG 1 HH21 ARG 1 -11.982 14.459 8.235
11 H ARG 2 H ARG 2 -8.292 8.758 2.671
12 HA ARG 2 HA ARG 2 -5.590 7.814 2.042
13 HB3 ARG 2 HB3 ARG 2 -7.181 6.052 2.425
14 HG3 ARG 2 HG3 ARG 2 -8.905 6.269 0.176
15 HD3 ARG 2 HD3 ARG 2 -10.624 6.335 2.092
16 HE ARG 2 HE ARG 2 -9.045 3.971 2.508
17 HH11 ARG 2 HH11 ARG 2 -11.167 5.645 0.315
18 HH12 ARG 2 HH12 ARG 2 -11.676 4.203 -0.500
19 HH21 ARG 2 HH22 ARG 2 -9.706 2.065 1.443
20 HH22 ARG 2 HH21 ARG 2 -10.845 2.168 0.143
21 H ARG 3 H ARG 3 -4.585 8.264 0.167
22 HA ARG 3 HA ARG 3 -4.119 9.235 -1.835
23 HB3 ARG 3 HB3 ARG 3 -6.722 9.486 -2.992
24 HG3 ARG 3 HG3 ARG 3 -4.233 8.387 -3.675
25 HD3 ARG 3 HD3 ARG 3 -6.436 6.376 -3.541
26 HE ARG 3 HE ARG 3 -5.071 6.779 -5.921
27 HH11 ARG 3 HH11 ARG 3 -5.548 4.213 -3.617
28 HH12 ARG 3 HH12 ARG 3 -5.380 2.950 -4.791
29 HH21 ARG 3 HH22 ARG 3 -4.847 5.126 -7.477
30 HH22 ARG 3 HH21 ARG 3 -4.979 3.470 -6.986
31 H ARG 4 H ARG 4 -4.680 11.171 -3.263
32 HA ARG 4 HA ARG 4 -4.891 13.431 -3.423
33 HB3 ARG 4 HB3 ARG 4 -7.191 13.261 -1.494
34 HG3 ARG 4 HG3 ARG 4 -6.527 14.963 -3.862
35 HD3 ARG 4 HD3 ARG 4 -9.169 14.007 -3.016
36 HE ARG 4 HE ARG 4 -9.802 16.090 -2.289
37 HH11 ARG 4 HH11 ARG 4 -7.855 16.404 -5.158
38 HH12 ARG 4 HH12 ARG 4 -8.181 18.095 -5.350
39 HH21 ARG 4 HH22 ARG 4 -10.239 18.316 -2.532
40 HH22 ARG 4 HH21 ARG 4 -9.535 19.181 -3.857
41 H ARG 5 H ARG 5 -3.288 12.259 -1.225
42 HA ARG 5 HA ARG 5 -2.715 14.697 0.152
43 HB3 ARG 5 HB3 ARG 5 -3.558 12.420 1.930
44 HG3 ARG 5 HG3 ARG 5 -2.378 14.944 2.414
45 HD3 ARG 5 HD3 ARG 5 -4.010 15.819 4.064
46 HE ARG 5 HE ARG 5 -5.560 16.099 1.691
47 HH11 ARG 5 HH11 ARG 5 -2.471 16.843 3.111
48 HH12 ARG 5 HH12 ARG 5 -2.204 18.238 2.118
49 HH21 ARG 5 HH22 ARG 5 -5.220 17.933 0.378
50 HH22 ARG 5 HH21 ARG 5 -3.768 18.857 0.564
51 H ARG 6 H ARG 6 -1.438 12.615 -1.511
52 HA ARG 6 HA ARG 6 0.545 11.512 -1.680
53 HB3 ARG 6 HB3 ARG 6 2.389 12.312 -0.223
54 HG3 ARG 6 HG3 ARG 6 1.524 14.932 -0.644
55 HD3 ARG 6 HD3 ARG 6 2.823 13.406 -2.839
56 HE ARG 6 HE ARG 6 3.336 15.600 -3.215
57 HH11 ARG 6 HH11 ARG 6 3.703 14.924 0.180
58 HH12 ARG 6 HH12 ARG 6 4.387 16.473 0.548
59 HH21 ARG 6 HH22 ARG 6 4.235 17.642 -2.744
60 HH22 ARG 6 HH21 ARG 6 4.690 18.018 -1.117
61 HA PRO 7 HA PRO 7 -0.771 8.535 1.641
62 HB3 PRO 7 HB3 PRO 7 -2.449 7.680 0.323
63 HG3 PRO 7 HG3 PRO 7 -2.380 7.891 -1.992
64 HD3 PRO 7 HD3 PRO 7 -1.977 10.077 -1.382
65 HA PRO 8 HA PRO 8 3.034 6.352 1.934
66 HB3 PRO 8 HB3 PRO 8 2.222 5.340 3.831
67 HG3 PRO 8 HG3 PRO 8 0.005 4.655 3.971
68 HD3 PRO 8 HD3 PRO 8 -0.294 6.819 3.232
69 H CYS 9 H CYS 9 0.552 4.236 0.479
70 HA CYS 9 HA CYS 9 2.237 2.495 -0.862
71 HB3 CYS 9 HB3 CYS 9 -0.141 3.149 -2.418
72 H GLU 10 H GLU 10 1.416 5.778 -1.602
73 HA GLU 10 HA GLU 10 2.323 5.655 -4.336
74 HB3 GLU 10 HB3 GLU 10 2.232 8.284 -3.887
75 HG3 GLU 10 HG3 GLU 10 -0.326 6.710 -3.971
76 H ASP 11 H ASP 11 3.476 7.379 -1.432
77 HA ASP 11 HA ASP 11 5.867 8.323 -2.436
78 HB3 ASP 11 HB3 ASP 11 6.434 7.614 0.214
79 H VAL 12 H VAL 12 5.496 5.355 -0.486
80 HA VAL 12 HA VAL 12 8.120 4.427 -1.132
81 HB VAL 12 HB VAL 12 7.554 2.418 0.073
82 HG11 VAL 12 HG11 VAL 12 6.483 4.944 1.308
83 HG12 VAL 12 HG12 VAL 12 6.663 3.436 2.208
84 HG13 VAL 12 HG13 VAL 12 8.080 4.224 1.509
85 HG21 VAL 12 HG21 VAL 12 4.902 3.033 -0.811
86 HG22 VAL 12 HG22 VAL 12 5.518 1.547 -0.085
87 HG23 VAL 12 HG23 VAL 12 4.910 2.846 0.943
88 H ASN 13 H ASN 13 5.249 4.465 -2.853
89 HA ASN 13 HA ASN 13 4.478 3.403 -4.716
90 HB3 ASN 13 HB3 ASN 13 6.169 2.799 -6.379
91 HD21 ASN 13 HD22 ASN 13 8.448 4.685 -4.784
92 HD22 ASN 13 HD21 ASN 13 7.985 6.226 -5.412
93 H GLY 14 H GLY 14 3.569 1.799 -3.147
94 HA2 GLY 14 HA2 GLY 14 4.904 -0.816 -3.268
95 HA3 GLY 14 HA3 GLY 14 3.605 -0.376 -2.168
96 H GLN 15 H GLN 15 3.133 -2.668 -3.212
97 HA GLN 15 HA GLN 15 1.385 -2.208 -5.540
98 HB3 GLN 15 HB3 GLN 15 1.719 -4.514 -6.175
99 HG3 GLN 15 HG3 GLN 15 4.404 -3.351 -5.471
100 HE21 GLN 15 HE22 GLN 15 6.121 -4.141 -6.676
101 HE22 GLN 15 HE21 GLN 15 6.044 -5.649 -7.515
102 H CYS 16 H CYS 16 -0.723 -2.734 -5.390
103 HA CYS 16 HA CYS 16 -1.786 -3.342 -2.788
104 HB3 CYS 16 HB3 CYS 16 -3.994 -3.188 -3.954
105 H GLN 17 H GLN 17 -1.382 -5.402 -2.157
106 HA GLN 17 HA GLN 17 -2.537 -7.533 -3.824
107 HB3 GLN 17 HB3 GLN 17 -0.672 -8.807 -3.767
108 HG3 GLN 17 HG3 GLN 17 0.879 -6.439 -2.813
109 HE21 GLN 17 HE22 GLN 17 1.625 -6.750 -5.862
110 HE22 GLN 17 HE21 GLN 17 2.856 -7.961 -5.802
111 HA PRO 18 HA PRO 18 -4.695 -8.923 -0.270
112 HB3 PRO 18 HB3 PRO 18 -5.561 -10.612 -1.566
113 HG3 PRO 18 HG3 PRO 18 -4.254 -11.690 -3.158
114 HD3 PRO 18 HD3 PRO 18 -3.830 -9.495 -3.718
115 H ARG 19 H ARG 19 -4.464 -10.939 1.426
116 HA ARG 19 HA ARG 19 -1.941 -10.389 2.779
117 HB3 ARG 19 HB3 ARG 19 -2.970 -11.215 4.757
118 HG3 ARG 19 HG3 ARG 19 -4.123 -9.132 3.406
119 HD3 ARG 19 HD3 ARG 19 -5.948 -10.882 2.836
120 HE ARG 19 HE ARG 19 -6.130 -11.212 5.529
121 HH11 ARG 19 HH11 ARG 19 -8.288 -10.021 3.069
122 HH12 ARG 19 HH12 ARG 19 -9.722 -10.540 3.892
123 HH21 ARG 19 HH22 ARG 19 -8.010 -11.900 6.622
124 HH22 ARG 19 HH21 ARG 19 -9.563 -11.608 5.914
125 H GLY 20 H GLY 20 -3.492 -12.894 1.000
126 HA2 GLY 20 HA2 GLY 20 -1.969 -15.072 2.091
127 HA3 GLY 20 HA3 GLY 20 -2.968 -15.117 0.645
128 H ASN 21 H ASN 21 0.066 -13.605 1.758
129 HA ASN 21 HA ASN 21 1.625 -14.840 -0.258
130 HB3 ASN 21 HB3 ASN 21 0.896 -13.450 -1.930
131 HD21 ASN 21 HD22 ASN 21 -0.292 -11.748 -2.704
132 HD22 ASN 21 HD21 ASN 21 -1.109 -10.624 -1.677
133 HA PRO 22 HA PRO 22 4.861 -13.629 2.448
134 HB3 PRO 22 HB3 PRO 22 6.249 -14.992 1.225
135 HG3 PRO 22 HG3 PRO 22 6.046 -15.145 -1.088
136 HD3 PRO 22 HD3 PRO 22 3.849 -15.478 -0.472
137 H CYS 23 H CYS 23 3.681 -11.549 0.092
138 HA CYS 23 HA CYS 23 5.387 -9.441 -0.129
139 HB3 CYS 23 HB3 CYS 23 3.005 -9.683 -1.040
140 H LEU 24 H LEU 24 5.583 -7.406 1.003
141 HA LEU 24 HA LEU 24 5.521 -7.793 3.905
142 HB3 LEU 24 HB3 LEU 24 6.896 -5.640 2.304
143 HG LEU 24 HG LEU 24 6.827 -6.194 5.184
144 HD11 LEU 24 HD11 LEU 24 9.481 -5.476 3.981
145 HD12 LEU 24 HD12 LEU 24 9.052 -7.141 4.377
146 HD13 LEU 24 HD13 LEU 24 9.106 -5.918 5.647
147 HD21 LEU 24 HD21 LEU 24 7.712 -3.822 5.162
148 HD22 LEU 24 HD22 LEU 24 6.121 -4.069 4.440
149 HD23 LEU 24 HD23 LEU 24 7.538 -3.875 3.406
150 H ARG 25 H ARG 25 3.345 -7.357 4.314
151 HA ARG 25 HA ARG 25 1.660 -5.476 3.428
152 HB3 ARG 25 HB3 ARG 25 1.285 -7.093 5.339
153 HG3 ARG 25 HG3 ARG 25 1.449 -6.012 7.615
154 HD3 ARG 25 HD3 ARG 25 4.244 -6.344 6.892
155 HE ARG 25 HE ARG 25 2.428 -7.470 8.814
156 HH11 ARG 25 HH11 ARG 25 5.545 -7.779 7.295
157 HH12 ARG 25 HH12 ARG 25 6.240 -8.675 8.606
158 HH21 ARG 25 HH22 ARG 25 3.331 -8.647 10.546
159 HH22 ARG 25 HH21 ARG 25 4.980 -9.168 10.454
160 H LEU 26 H LEU 26 1.238 -3.303 3.681
161 HA LEU 26 HA LEU 26 3.340 -1.717 5.001
162 HB3 LEU 26 HB3 LEU 26 2.184 -0.118 3.017
163 HG LEU 26 HG LEU 26 4.848 -1.496 3.146
164 HD11 LEU 26 HD11 LEU 26 3.769 0.232 0.927
165 HD12 LEU 26 HD12 LEU 26 4.369 -1.422 0.808
166 HD13 LEU 26 HD13 LEU 26 5.482 -0.105 1.176
167 HD21 LEU 26 HD21 LEU 26 3.736 1.172 3.760
168 HD22 LEU 26 HD22 LEU 26 5.339 1.133 3.027
169 HD23 LEU 26 HD23 LEU 26 5.042 0.276 4.540
170 H ARG 27 H ARG 27 0.167 -1.063 3.513
171 HA ARG 27 HA ARG 27 -1.002 -0.356 6.044
172 HB3 ARG 27 HB3 ARG 27 -1.587 1.996 5.002
173 HG3 ARG 27 HG3 ARG 27 0.154 1.213 6.967
174 HD3 ARG 27 HD3 ARG 27 1.652 3.248 5.368
175 HE ARG 27 HE ARG 27 2.141 1.875 7.812
176 HH11 ARG 27 HH11 ARG 27 3.704 3.203 5.001
177 HH12 ARG 27 HH12 ARG 27 5.213 3.475 5.806
178 HH21 ARG 27 HH22 ARG 27 4.122 2.228 8.885
179 HH22 ARG 27 HH21 ARG 27 5.450 2.920 8.017
180 H GLY 28 H GLY 28 -3.212 0.924 5.435
181 HA2 GLY 28 HA2 GLY 28 -4.586 -0.938 3.659
182 HA3 GLY 28 HA3 GLY 28 -5.343 0.192 4.771
183 H ALA 29 H ALA 29 -2.851 1.429 2.753
184 HA ALA 29 HA ALA 29 -4.692 3.214 1.466
185 HB1 ALA 29 HB1 ALA 29 -2.456 3.791 0.193
186 HB2 ALA 29 HB2 ALA 29 -2.723 4.302 1.861
187 HB3 ALA 29 HB3 ALA 29 -1.739 2.879 1.521
188 H CYS 30 H CYS 30 -5.747 1.033 0.636
189 HA CYS 30 HA CYS 30 -5.148 0.938 -2.192
190 HB3 CYS 30 HB3 CYS 30 -5.281 -1.710 -1.919
191 HA PRO 31 HA PRO 31 -9.469 0.295 -2.591
192 HB3 PRO 31 HB3 PRO 31 -9.176 0.339 -4.870
193 HG3 PRO 31 HG3 PRO 31 -7.326 -0.659 -5.861
194 HD3 PRO 31 HD3 PRO 31 -6.278 0.592 -4.234
195 H ARG 32 H ARG 32 -11.199 -1.178 -2.289
196 HA ARG 32 HA ARG 32 -10.840 -3.162 -0.414
197 HB3 ARG 32 HB3 ARG 32 -13.017 -2.154 -0.916
198 HG3 ARG 32 HG3 ARG 32 -14.190 -3.597 -2.878
199 HD3 ARG 32 HD3 ARG 32 -12.837 -1.109 -3.747
200 HE ARG 32 HE ARG 32 -15.325 -2.357 -4.267
201 HH11 ARG 32 HH11 ARG 32 -13.839 0.773 -3.931
202 HH12 ARG 32 HH12 ARG 32 -14.975 1.568 -4.969
203 HH21 ARG 32 HH22 ARG 32 -16.827 -1.323 -5.635
204 HH22 ARG 32 HH21 ARG 32 -16.674 0.375 -5.937
205 H GLY 33 H GLY 33 -10.744 -5.414 -0.454
206 HA2 GLY 33 HA2 GLY 33 -10.556 -7.532 -1.451
207 HA3 GLY 33 HA3 GLY 33 -10.476 -6.759 -3.028
208 H SER 34 H SER 34 -8.391 -4.907 -1.637
209 HA SER 34 HA SER 34 -6.136 -6.742 -1.447
210 HB3 SER 34 HB3 SER 34 -5.691 -6.420 -3.654
211 HG SER 34 HG SER 34 -6.646 -3.817 -3.877
212 H ARG 35 H ARG 35 -4.148 -5.645 -0.732
213 HA ARG 35 HA ARG 35 -4.642 -3.080 0.612
214 HB3 ARG 35 HB3 ARG 35 -3.606 -3.862 2.650
215 HG3 ARG 35 HG3 ARG 35 -6.038 -4.970 1.695
216 HD3 ARG 35 HD3 ARG 35 -4.359 -7.049 2.195
217 HE ARG 35 HE ARG 35 -4.165 -7.196 4.467
218 HH11 ARG 35 HH11 ARG 35 -7.418 -6.245 3.672
219 HH12 ARG 35 HH12 ARG 35 -7.994 -6.376 5.301
220 HH21 ARG 35 HH22 ARG 35 -4.911 -7.375 6.615
221 HH22 ARG 35 HH21 ARG 35 -6.567 -7.020 6.974
222 H CYS 36 H CYS 36 -2.679 -1.932 1.215
223 HA CYS 36 HA CYS 36 -0.761 -1.951 -0.868
224 HB3 CYS 36 HB3 CYS 36 -0.564 -0.581 1.820
225 H CYS 37 H CYS 37 0.648 -3.565 -1.103
226 HA CYS 37 HA CYS 37 2.075 -4.521 1.293
227 HB3 CYS 37 HB3 CYS 37 2.396 -6.427 -0.748
228 H MET 38 H MET 38 4.203 -4.201 1.345
229 HA MET 38 HA MET 38 5.534 -2.802 -0.736
230 HB3 MET 38 HB3 MET 38 7.344 -4.098 1.117
231 HG3 MET 38 HG3 MET 38 7.026 -1.396 1.792
232 HE1 MET 38 HE1 MET 38 10.466 -1.576 2.596
233 HE2 MET 38 HE2 MET 38 9.810 -0.131 1.826
234 HE3 MET 38 HE3 MET 38 8.794 -1.097 2.897
235 HA PRO 39 HA PRO 39 6.899 -6.120 -3.286
236 HB3 PRO 39 HB3 PRO 39 7.368 -4.514 -4.863
237 HG3 PRO 39 HG3 PRO 39 8.147 -2.413 -4.240
238 HD3 PRO 39 HD3 PRO 39 6.325 -2.592 -2.839
239 H THR 40 H THR 40 9.090 -7.188 -3.912
240 HA THR 40 HA THR 40 10.470 -7.789 -1.404
241 HB THR 40 HB THR 40 11.170 -9.832 -2.364
242 HG1 THR 40 HG1 THR 40 11.637 -9.944 -4.419
243 HG21 THR 40 HG21 THR 40 8.655 -9.942 -3.815
244 HG22 THR 40 HG22 THR 40 8.483 -9.162 -2.243
245 HG23 THR 40 HG23 THR 40 9.149 -10.791 -2.350
246 H VAL 41 H VAL 41 11.028 -5.337 -2.882
247 HA VAL 41 HA VAL 41 13.671 -5.778 -4.030
248 HB VAL 41 HB VAL 41 13.637 -3.435 -4.640
249 HG11 VAL 41 HG11 VAL 41 11.502 -3.416 -6.002
250 HG12 VAL 41 HG12 VAL 41 12.553 -4.817 -6.219
251 HG13 VAL 41 HG13 VAL 41 11.102 -4.946 -5.222
252 HG21 VAL 41 HG21 VAL 41 11.221 -2.364 -4.102
253 HG22 VAL 41 HG22 VAL 41 11.463 -3.341 -2.654
254 HG23 VAL 41 HG23 VAL 41 12.650 -2.113 -3.100
255 H ALA 42 H ALA 42 15.444 -4.268 -3.365
256 HA ALA 42 HA ALA 42 15.440 -3.952 -0.435
257 HB1 ALA 42 HB1 ALA 42 17.379 -5.031 -0.350
258 HB2 ALA 42 HB2 ALA 42 17.187 -5.404 -2.065
259 HB3 ALA 42 HB3 ALA 42 18.084 -3.968 -1.570
260 H ALA 43 H ALA 43 16.617 -2.158 0.450
261 HA ALA 43 HA ALA 43 17.558 -0.050 -1.252
262 HB1 ALA 43 HB1 ALA 43 15.101 0.570 0.370
263 HB2 ALA 43 HB2 ALA 43 15.923 1.603 -0.801
264 HB3 ALA 43 HB3 ALA 43 15.049 0.171 -1.348
265 H HIS 44 H HIS 44 18.545 -1.640 0.954
266 HA HIS 44 HA HIS 44 19.715 -1.438 2.895
267 HB3 HIS 44 HB3 HIS 44 20.584 1.001 3.288
268 HD1 HIS 44 HD1 HIS 44 22.885 0.055 3.335
269 HD2 HIS 44 HD2 HIS 44 21.064 -0.429 -0.369
270 HE1 HIS 44 HE1 HIS 44 24.664 -0.887 1.828
Start of MODEL 4
1 H1 ARG 1 H1 ARG 1 -3.184 4.068 -6.180
2 HA ARG 1 HA ARG 1 -1.047 5.114 -6.602
3 HB3 ARG 1 HB3 ARG 1 -0.414 5.717 -8.868
4 HG3 ARG 1 HG3 ARG 1 -1.390 2.870 -8.800
5 HD3 ARG 1 HD3 ARG 1 -0.394 4.265 -10.955
6 HE ARG 1 HE ARG 1 1.870 4.282 -10.645
7 HH11 ARG 1 HH11 ARG 1 0.594 1.252 -9.500
8 HH12 ARG 1 HH12 ARG 1 2.154 0.550 -9.221
9 HH21 ARG 1 HH22 ARG 1 3.930 3.368 -10.282
10 HH22 ARG 1 HH21 ARG 1 4.049 1.756 -9.665
11 H ARG 2 H ARG 2 -3.177 6.159 -5.441
12 HA ARG 2 HA ARG 2 -4.311 8.381 -6.836
13 HB3 ARG 2 HB3 ARG 2 -4.892 9.012 -4.335
14 HG3 ARG 2 HG3 ARG 2 -6.404 6.666 -4.614
15 HD3 ARG 2 HD3 ARG 2 -7.231 9.254 -5.846
16 HE ARG 2 HE ARG 2 -9.151 8.030 -5.579
17 HH11 ARG 2 HH11 ARG 2 -7.245 7.832 -2.673
18 HH12 ARG 2 HH12 ARG 2 -8.486 7.041 -1.758
19 HH21 ARG 2 HH22 ARG 2 -10.792 6.989 -4.385
20 HH22 ARG 2 HH21 ARG 2 -10.502 6.561 -2.734
21 H ARG 3 H ARG 3 -4.204 10.588 -5.498
22 HA ARG 3 HA ARG 3 -1.635 11.258 -4.433
23 HB3 ARG 3 HB3 ARG 3 -2.292 12.619 -7.032
24 HG3 ARG 3 HG3 ARG 3 0.478 12.128 -6.130
25 HD3 ARG 3 HD3 ARG 3 -0.609 14.759 -6.975
26 HE ARG 3 HE ARG 3 1.942 13.597 -6.894
27 HH11 ARG 3 HH11 ARG 3 -0.035 15.562 -8.979
28 HH12 ARG 3 HH12 ARG 3 1.311 16.367 -9.714
29 HH21 ARG 3 HH22 ARG 3 3.724 14.650 -7.854
30 HH22 ARG 3 HH21 ARG 3 3.448 15.848 -9.074
31 H ARG 4 H ARG 4 -4.117 11.527 -3.341
32 HA ARG 4 HA ARG 4 -5.108 14.208 -3.773
33 HB3 ARG 4 HB3 ARG 4 -6.645 13.621 -1.867
34 HG3 ARG 4 HG3 ARG 4 -7.567 11.466 -3.147
35 HD3 ARG 4 HD3 ARG 4 -8.325 13.347 -4.927
36 HE ARG 4 HE ARG 4 -9.420 12.409 -2.522
37 HH11 ARG 4 HH11 ARG 4 -9.634 15.137 -4.674
38 HH12 ARG 4 HH12 ARG 4 -11.285 15.488 -4.274
39 HH21 ARG 4 HH22 ARG 4 -11.590 12.862 -1.987
40 HH22 ARG 4 HH21 ARG 4 -12.395 14.194 -2.745
41 H ARG 5 H ARG 5 -3.743 12.458 -0.979
42 HA ARG 5 HA ARG 5 -2.679 15.031 -0.017
43 HB3 ARG 5 HB3 ARG 5 -2.972 14.019 2.313
44 HG3 ARG 5 HG3 ARG 5 -5.305 14.843 0.626
45 HD3 ARG 5 HD3 ARG 5 -5.348 14.385 3.604
46 HE ARG 5 HE ARG 5 -7.807 14.788 2.160
47 HH11 ARG 5 HH11 ARG 5 -5.210 16.314 3.904
48 HH12 ARG 5 HH12 ARG 5 -6.138 17.718 4.317
49 HH21 ARG 5 HH22 ARG 5 -9.040 16.630 2.698
50 HH22 ARG 5 HH21 ARG 5 -8.316 17.896 3.632
51 H ARG 6 H ARG 6 -1.411 12.971 -1.654
52 HA ARG 6 HA ARG 6 0.535 11.802 -1.809
53 HB3 ARG 6 HB3 ARG 6 2.369 12.589 -0.226
54 HG3 ARG 6 HG3 ARG 6 0.854 14.556 -1.910
55 HD3 ARG 6 HD3 ARG 6 2.772 15.167 0.075
56 HE ARG 6 HE ARG 6 4.708 15.149 -1.124
57 HH11 ARG 6 HH11 ARG 6 2.108 16.107 -3.232
58 HH12 ARG 6 HH12 ARG 6 3.149 16.444 -4.576
59 HH21 ARG 6 HH22 ARG 6 6.087 15.590 -2.886
60 HH22 ARG 6 HH21 ARG 6 5.412 16.149 -4.378
61 HA PRO 7 HA PRO 7 -0.796 8.977 1.660
62 HB3 PRO 7 HB3 PRO 7 -2.603 8.192 0.477
63 HG3 PRO 7 HG3 PRO 7 -2.677 8.346 -1.842
64 HD3 PRO 7 HD3 PRO 7 -2.111 10.518 -1.318
65 HA PRO 8 HA PRO 8 2.890 6.581 1.761
66 HB3 PRO 8 HB3 PRO 8 2.152 5.663 3.735
67 HG3 PRO 8 HG3 PRO 8 -0.088 5.114 4.039
68 HD3 PRO 8 HD3 PRO 8 -0.311 7.273 3.263
69 H CYS 9 H CYS 9 0.200 4.581 0.531
70 HA CYS 9 HA CYS 9 1.714 2.730 -0.883
71 HB3 CYS 9 HB3 CYS 9 -0.794 3.470 -2.208
72 H GLU 10 H GLU 10 0.983 6.025 -1.620
73 HA GLU 10 HA GLU 10 1.605 5.812 -4.427
74 HB3 GLU 10 HB3 GLU 10 1.200 8.209 -2.632
75 HG3 GLU 10 HG3 GLU 10 0.688 9.255 -4.976
76 H ASP 11 H ASP 11 3.130 7.509 -1.683
77 HA ASP 11 HA ASP 11 5.449 8.327 -2.921
78 HB3 ASP 11 HB3 ASP 11 6.249 7.568 -0.344
79 H VAL 12 H VAL 12 5.097 5.345 -0.991
80 HA VAL 12 HA VAL 12 7.608 4.298 -1.854
81 HB VAL 12 HB VAL 12 7.023 2.289 -0.665
82 HG11 VAL 12 HG11 VAL 12 6.153 4.819 0.712
83 HG12 VAL 12 HG12 VAL 12 6.337 3.279 1.553
84 HG13 VAL 12 HG13 VAL 12 7.729 4.032 0.777
85 HG21 VAL 12 HG21 VAL 12 4.914 1.578 -0.935
86 HG22 VAL 12 HG22 VAL 12 4.548 2.606 0.452
87 HG23 VAL 12 HG23 VAL 12 4.295 3.210 -1.185
88 H ASN 13 H ASN 13 4.526 4.421 -3.261
89 HA ASN 13 HA ASN 13 3.555 3.417 -5.062
90 HB3 ASN 13 HB3 ASN 13 5.162 2.816 -6.912
91 HD21 ASN 13 HD22 ASN 13 6.954 5.285 -5.320
92 HD22 ASN 13 HD21 ASN 13 6.238 6.629 -6.133
93 H GLY 14 H GLY 14 3.999 1.730 -2.775
94 HA2 GLY 14 HA2 GLY 14 5.057 -0.784 -3.402
95 HA3 GLY 14 HA3 GLY 14 3.825 -0.479 -2.187
96 H GLN 15 H GLN 15 3.346 -2.753 -3.121
97 HA GLN 15 HA GLN 15 1.655 -2.546 -5.510
98 HB3 GLN 15 HB3 GLN 15 1.704 -5.205 -4.903
99 HG3 GLN 15 HG3 GLN 15 4.074 -4.221 -6.372
100 HE21 GLN 15 HE22 GLN 15 4.822 -6.250 -6.624
101 HE22 GLN 15 HE21 GLN 15 3.960 -7.515 -7.427
102 H CYS 16 H CYS 16 -0.378 -3.839 -5.484
103 HA CYS 16 HA CYS 16 -1.665 -3.684 -2.835
104 HB3 CYS 16 HB3 CYS 16 -3.791 -3.267 -4.102
105 H GLN 17 H GLN 17 -2.031 -5.644 -2.050
106 HA GLN 17 HA GLN 17 -3.471 -7.596 -3.586
107 HB3 GLN 17 HB3 GLN 17 -1.640 -8.628 -4.392
108 HG3 GLN 17 HG3 GLN 17 0.047 -7.444 -2.199
109 HE21 GLN 17 HE22 GLN 17 1.069 -9.505 -1.975
110 HE22 GLN 17 HE21 GLN 17 2.208 -10.043 -3.157
111 HA PRO 18 HA PRO 18 -4.914 -8.873 0.353
112 HB3 PRO 18 HB3 PRO 18 -6.253 -10.400 -0.721
113 HG3 PRO 18 HG3 PRO 18 -5.487 -11.573 -2.577
114 HD3 PRO 18 HD3 PRO 18 -4.928 -9.427 -3.206
115 H ARG 19 H ARG 19 -4.560 -10.875 1.991
116 HA ARG 19 HA ARG 19 -1.788 -10.651 2.787
117 HB3 ARG 19 HB3 ARG 19 -3.503 -10.417 4.487
118 HG3 ARG 19 HG3 ARG 19 -4.293 -13.172 4.754
119 HD3 ARG 19 HD3 ARG 19 -5.601 -10.487 4.626
120 HE ARG 19 HE ARG 19 -6.969 -12.812 3.873
121 HH11 ARG 19 HH11 ARG 19 -7.257 -10.155 6.104
122 HH12 ARG 19 HH12 ARG 19 -8.990 -10.196 6.134
123 HH21 ARG 19 HH22 ARG 19 -9.250 -12.878 3.905
124 HH22 ARG 19 HH21 ARG 19 -10.121 -11.747 4.883
125 H GLY 20 H GLY 20 -3.473 -12.693 0.792
126 HA2 GLY 20 HA2 GLY 20 -2.175 -15.164 1.554
127 HA3 GLY 20 HA3 GLY 20 -3.223 -14.919 0.164
128 H ASN 21 H ASN 21 -0.133 -13.481 1.219
129 HA ASN 21 HA ASN 21 1.303 -14.667 -0.962
130 HB3 ASN 21 HB3 ASN 21 0.603 -13.053 -2.428
131 HD21 ASN 21 HD22 ASN 21 -1.318 -12.118 -2.389
132 HD22 ASN 21 HD21 ASN 21 -1.755 -10.753 -1.423
133 HA PRO 22 HA PRO 22 4.730 -13.949 1.681
134 HB3 PRO 22 HB3 PRO 22 5.994 -15.182 0.209
135 HG3 PRO 22 HG3 PRO 22 5.669 -15.009 -2.087
136 HD3 PRO 22 HD3 PRO 22 3.492 -15.340 -1.402
137 H CYS 23 H CYS 23 3.931 -11.565 -0.717
138 HA CYS 23 HA CYS 23 5.765 -9.563 -0.248
139 HB3 CYS 23 HB3 CYS 23 2.871 -8.853 -0.545
140 H LEU 24 H LEU 24 6.067 -7.995 1.266
141 HA LEU 24 HA LEU 24 5.129 -8.457 3.891
142 HB3 LEU 24 HB3 LEU 24 6.179 -5.780 3.179
143 HG LEU 24 HG LEU 24 6.056 -7.128 5.560
144 HD11 LEU 24 HD11 LEU 24 7.918 -8.593 4.576
145 HD12 LEU 24 HD12 LEU 24 8.153 -7.920 6.190
146 HD13 LEU 24 HD13 LEU 24 8.955 -7.184 4.804
147 HD21 LEU 24 HD21 LEU 24 8.176 -5.327 5.813
148 HD22 LEU 24 HD22 LEU 24 6.462 -5.008 6.083
149 HD23 LEU 24 HD23 LEU 24 7.178 -4.696 4.501
150 H ARG 25 H ARG 25 4.441 -6.157 5.057
151 HA ARG 25 HA ARG 25 1.983 -5.316 3.665
152 HB3 ARG 25 HB3 ARG 25 1.542 -6.820 5.591
153 HG3 ARG 25 HG3 ARG 25 1.729 -5.630 7.870
154 HD3 ARG 25 HD3 ARG 25 4.427 -6.341 7.516
155 HE ARG 25 HE ARG 25 2.306 -7.293 9.001
156 HH11 ARG 25 HH11 ARG 25 5.008 -8.639 7.266
157 HH12 ARG 25 HH12 ARG 25 5.150 -10.022 8.300
158 HH21 ARG 25 HH22 ARG 25 2.483 -9.111 10.368
159 HH22 ARG 25 HH21 ARG 25 3.713 -10.290 10.063
160 H LEU 26 H LEU 26 1.232 -3.172 4.113
161 HA LEU 26 HA LEU 26 3.231 -1.372 5.293
162 HB3 LEU 26 HB3 LEU 26 2.381 0.225 3.369
163 HG LEU 26 HG LEU 26 4.521 -1.859 3.035
164 HD11 LEU 26 HD11 LEU 26 4.865 0.241 1.173
165 HD12 LEU 26 HD12 LEU 26 3.239 -0.403 0.955
166 HD13 LEU 26 HD13 LEU 26 4.633 -1.479 0.856
167 HD21 LEU 26 HD21 LEU 26 5.947 -0.285 3.802
168 HD22 LEU 26 HD22 LEU 26 4.487 0.356 4.559
169 HD23 LEU 26 HD23 LEU 26 5.068 1.041 3.042
170 H ARG 27 H ARG 27 0.118 -0.911 3.632
171 HA ARG 27 HA ARG 27 -1.248 -0.285 6.086
172 HB3 ARG 27 HB3 ARG 27 -1.872 2.048 5.023
173 HG3 ARG 27 HG3 ARG 27 -0.231 1.326 7.094
174 HD3 ARG 27 HD3 ARG 27 1.271 3.445 5.609
175 HE ARG 27 HE ARG 27 1.616 2.217 8.106
176 HH11 ARG 27 HH11 ARG 27 3.466 3.125 5.299
177 HH12 ARG 27 HH12 ARG 27 4.942 3.342 6.180
178 HH21 ARG 27 HH22 ARG 27 3.553 2.500 9.277
179 HH22 ARG 27 HH21 ARG 27 4.989 2.987 8.443
180 H GLY 28 H GLY 28 -3.475 0.880 5.353
181 HA2 GLY 28 HA2 GLY 28 -4.589 -0.970 3.373
182 HA3 GLY 28 HA3 GLY 28 -5.503 -0.053 4.560
183 H ALA 29 H ALA 29 -3.101 1.705 2.884
184 HA ALA 29 HA ALA 29 -4.876 3.584 1.838
185 HB1 ALA 29 HB1 ALA 29 -2.849 4.546 1.850
186 HB2 ALA 29 HB2 ALA 29 -2.010 3.016 1.599
187 HB3 ALA 29 HB3 ALA 29 -2.707 3.874 0.226
188 H CYS 30 H CYS 30 -3.904 0.509 0.616
189 HA CYS 30 HA CYS 30 -4.444 0.948 -2.133
190 HB3 CYS 30 HB3 CYS 30 -4.837 -1.696 -1.910
191 HA PRO 31 HA PRO 31 -8.811 0.707 -2.454
192 HB3 PRO 31 HB3 PRO 31 -8.564 0.773 -4.738
193 HG3 PRO 31 HG3 PRO 31 -6.835 -0.370 -5.791
194 HD3 PRO 31 HD3 PRO 31 -5.640 0.741 -4.164
195 H ARG 32 H ARG 32 -10.673 -0.622 -2.178
196 HA ARG 32 HA ARG 32 -10.469 -2.658 -0.336
197 HB3 ARG 32 HB3 ARG 32 -12.784 -3.112 -0.728
198 HG3 ARG 32 HG3 ARG 32 -11.937 -0.562 -0.265
199 HD3 ARG 32 HD3 ARG 32 -12.463 -0.235 -2.795
200 HE ARG 32 HE ARG 32 -15.078 -0.813 -1.854
201 HH11 ARG 32 HH11 ARG 32 -13.306 1.287 -3.992
202 HH12 ARG 32 HH12 ARG 32 -14.646 1.549 -5.057
203 HH21 ARG 32 HH22 ARG 32 -16.851 -0.477 -3.251
204 HH22 ARG 32 HH21 ARG 32 -16.662 0.547 -4.635
205 H GLY 33 H GLY 33 -10.637 -4.920 -0.427
206 HA2 GLY 33 HA2 GLY 33 -10.682 -7.015 -1.504
207 HA3 GLY 33 HA3 GLY 33 -10.424 -6.205 -3.041
208 H SER 34 H SER 34 -8.194 -4.633 -1.697
209 HA SER 34 HA SER 34 -6.189 -6.748 -1.405
210 HB3 SER 34 HB3 SER 34 -5.969 -6.261 -3.721
211 HG SER 34 HG SER 34 -6.796 -4.430 -4.335
212 H ARG 35 H ARG 35 -4.001 -5.716 -0.813
213 HA ARG 35 HA ARG 35 -4.364 -3.299 0.808
214 HB3 ARG 35 HB3 ARG 35 -3.124 -4.352 2.671
215 HG3 ARG 35 HG3 ARG 35 -5.768 -5.311 1.813
216 HD3 ARG 35 HD3 ARG 35 -4.144 -7.238 2.844
217 HE ARG 35 HE ARG 35 -3.997 -6.876 5.088
218 HH11 ARG 35 HH11 ARG 35 -7.128 -5.812 4.000
219 HH12 ARG 35 HH12 ARG 35 -7.701 -5.445 5.592
220 HH21 ARG 35 HH22 ARG 35 -4.740 -6.396 7.190
221 HH22 ARG 35 HH21 ARG 35 -6.342 -5.777 7.407
222 H CYS 36 H CYS 36 -2.389 -2.203 1.341
223 HA CYS 36 HA CYS 36 -0.509 -2.222 -0.797
224 HB3 CYS 36 HB3 CYS 36 0.157 -0.838 1.751
225 H CYS 37 H CYS 37 0.883 -3.854 -1.018
226 HA CYS 37 HA CYS 37 2.179 -4.953 1.376
227 HB3 CYS 37 HB3 CYS 37 0.949 -6.385 -0.437
228 H MET 38 H MET 38 4.408 -5.086 1.554
229 HA MET 38 HA MET 38 5.871 -3.167 -0.082
230 HB3 MET 38 HB3 MET 38 7.472 -4.436 1.950
231 HG3 MET 38 HG3 MET 38 7.110 -1.995 2.925
232 HE1 MET 38 HE1 MET 38 8.954 -1.567 3.659
233 HE2 MET 38 HE2 MET 38 10.314 -2.611 3.238
234 HE3 MET 38 HE3 MET 38 10.326 -0.914 2.761
235 HA PRO 39 HA PRO 39 7.632 -6.399 -2.552
236 HB3 PRO 39 HB3 PRO 39 7.777 -4.823 -4.217
237 HG3 PRO 39 HG3 PRO 39 8.138 -2.580 -3.719
238 HD3 PRO 39 HD3 PRO 39 6.388 -3.029 -2.287
239 H THR 40 H THR 40 10.015 -7.007 -3.173
240 HA THR 40 HA THR 40 11.504 -7.159 -0.649
241 HB THR 40 HB THR 40 10.902 -9.304 -1.708
242 HG1 THR 40 HG1 THR 40 13.013 -8.845 -0.560
243 HG21 THR 40 HG21 THR 40 11.042 -9.561 -3.914
244 HG22 THR 40 HG22 THR 40 12.796 -9.412 -3.812
245 HG23 THR 40 HG23 THR 40 11.801 -7.978 -4.068
246 H VAL 41 H VAL 41 11.649 -4.762 -2.158
247 HA VAL 41 HA VAL 41 14.293 -4.864 -3.420
248 HB VAL 41 HB VAL 41 13.832 -2.650 -4.280
249 HG11 VAL 41 HG11 VAL 41 12.317 -4.965 -4.886
250 HG12 VAL 41 HG12 VAL 41 11.250 -3.567 -5.041
251 HG13 VAL 41 HG13 VAL 41 12.759 -3.634 -5.954
252 HG21 VAL 41 HG21 VAL 41 11.244 -2.006 -3.778
253 HG22 VAL 41 HG22 VAL 41 11.727 -2.706 -2.234
254 HG23 VAL 41 HG23 VAL 41 12.623 -1.343 -2.904
255 H ALA 42 H ALA 42 16.049 -3.823 -2.615
256 HA ALA 42 HA ALA 42 17.427 -2.913 -1.046
257 HB1 ALA 42 HB1 ALA 42 15.974 -0.938 0.210
258 HB2 ALA 42 HB2 ALA 42 16.918 -0.754 -1.269
259 HB3 ALA 42 HB3 ALA 42 15.189 -1.088 -1.363
260 H ALA 43 H ALA 43 17.577 -4.698 0.325
261 HA ALA 43 HA ALA 43 15.776 -4.713 2.651
262 HB1 ALA 43 HB1 ALA 43 16.560 -6.783 1.000
263 HB2 ALA 43 HB2 ALA 43 17.565 -6.991 2.436
264 HB3 ALA 43 HB3 ALA 43 15.810 -6.942 2.589
265 H HIS 44 H HIS 44 16.523 -4.015 4.537
266 HA HIS 44 HA HIS 44 17.931 -3.242 6.152
267 HB3 HIS 44 HB3 HIS 44 19.782 -5.395 5.109
268 HD1 HIS 44 HD1 HIS 44 18.757 -3.783 8.412
269 HD2 HIS 44 HD2 HIS 44 22.107 -5.274 6.457
270 HE1 HIS 44 HE1 HIS 44 20.669 -3.462 10.014
Start of MODEL 5
1 H1 ARG 1 H1 ARG 1 -5.865 9.378 -9.280
2 HA ARG 1 HA ARG 1 -7.367 7.820 -7.490
3 HB3 ARG 1 HB3 ARG 1 -5.730 6.032 -8.851
4 HG3 ARG 1 HG3 ARG 1 -8.381 6.474 -8.727
5 HD3 ARG 1 HD3 ARG 1 -7.421 7.448 -11.394
6 HE ARG 1 HE ARG 1 -9.376 5.564 -11.300
7 HH11 ARG 1 HH11 ARG 1 -9.316 8.964 -12.044
8 HH12 ARG 1 HH12 ARG 1 -10.643 8.877 -13.155
9 HH21 ARG 1 HH22 ARG 1 -11.124 5.437 -12.760
10 HH22 ARG 1 HH21 ARG 1 -11.672 6.870 -13.560
11 H ARG 2 H ARG 2 -3.896 8.348 -7.803
12 HA ARG 2 HA ARG 2 -3.538 7.052 -5.190
13 HB3 ARG 2 HB3 ARG 2 -2.718 5.404 -6.666
14 HG3 ARG 2 HG3 ARG 2 -1.307 7.605 -8.155
15 HD3 ARG 2 HD3 ARG 2 -0.862 4.679 -8.044
16 HE ARG 2 HE ARG 2 -1.669 5.589 -10.458
17 HH11 ARG 2 HH11 ARG 2 1.415 4.581 -9.193
18 HH12 ARG 2 HH12 ARG 2 1.997 4.003 -10.719
19 HH21 ARG 2 HH22 ARG 2 -0.913 4.833 -12.472
20 HH22 ARG 2 HH21 ARG 2 0.674 4.147 -12.583
21 H ARG 3 H ARG 3 -3.692 9.360 -4.566
22 HA ARG 3 HA ARG 3 -1.160 10.429 -3.997
23 HB3 ARG 3 HB3 ARG 3 -2.428 12.457 -5.683
24 HG3 ARG 3 HG3 ARG 3 0.341 11.324 -5.441
25 HD3 ARG 3 HD3 ARG 3 0.768 13.494 -6.900
26 HE ARG 3 HE ARG 3 0.066 11.310 -8.619
27 HH11 ARG 3 HH11 ARG 3 2.334 12.437 -6.230
28 HH12 ARG 3 HH12 ARG 3 3.618 11.408 -6.776
29 HH21 ARG 3 HH22 ARG 3 1.748 9.951 -9.348
30 HH22 ARG 3 HH21 ARG 3 3.284 9.998 -8.549
31 H ARG 4 H ARG 4 -3.674 9.825 -2.719
32 HA ARG 4 HA ARG 4 -4.998 12.291 -2.095
33 HB3 ARG 4 HB3 ARG 4 -5.422 10.214 -0.131
34 HG3 ARG 4 HG3 ARG 4 -7.685 10.212 -1.559
35 HD3 ARG 4 HD3 ARG 4 -7.038 11.071 0.846
36 HE ARG 4 HE ARG 4 -6.632 13.433 -0.600
37 HH11 ARG 4 HH11 ARG 4 -8.348 12.299 2.209
38 HH12 ARG 4 HH12 ARG 4 -8.287 13.827 3.024
39 HH21 ARG 4 HH22 ARG 4 -6.546 15.449 0.462
40 HH22 ARG 4 HH21 ARG 4 -7.262 15.618 2.029
41 H ARG 5 H ARG 5 -3.634 13.764 -1.190
42 HA ARG 5 HA ARG 5 -2.406 14.813 0.410
43 HB3 ARG 5 HB3 ARG 5 -2.966 12.736 2.456
44 HG3 ARG 5 HG3 ARG 5 -4.016 15.215 3.202
45 HD3 ARG 5 HD3 ARG 5 -1.263 14.214 3.876
46 HE ARG 5 HE ARG 5 -2.922 15.205 5.975
47 HH11 ARG 5 HH11 ARG 5 -0.822 16.160 3.367
48 HH12 ARG 5 HH12 ARG 5 -0.395 17.675 4.093
49 HH21 ARG 5 HH22 ARG 5 -2.369 17.198 6.939
50 HH22 ARG 5 HH21 ARG 5 -1.276 18.264 6.124
51 H ARG 6 H ARG 6 -1.195 12.737 -1.244
52 HA ARG 6 HA ARG 6 0.772 11.615 -1.471
53 HB3 ARG 6 HB3 ARG 6 2.676 12.448 -0.254
54 HG3 ARG 6 HG3 ARG 6 0.991 14.902 -0.360
55 HD3 ARG 6 HD3 ARG 6 3.622 14.459 -1.700
56 HE ARG 6 HE ARG 6 2.104 16.698 -1.380
57 HH11 ARG 6 HH11 ARG 6 5.282 15.726 -0.338
58 HH12 ARG 6 HH12 ARG 6 5.918 17.337 -0.344
59 HH21 ARG 6 HH22 ARG 6 2.931 18.824 -1.393
60 HH22 ARG 6 HH21 ARG 6 4.581 19.098 -0.943
61 HA PRO 7 HA PRO 7 -0.492 8.656 1.897
62 HB3 PRO 7 HB3 PRO 7 -2.259 7.858 0.665
63 HG3 PRO 7 HG3 PRO 7 -2.305 8.079 -1.650
64 HD3 PRO 7 HD3 PRO 7 -1.806 10.250 -1.054
65 HA PRO 8 HA PRO 8 3.258 6.362 1.985
66 HB3 PRO 8 HB3 PRO 8 2.518 5.368 3.921
67 HG3 PRO 8 HG3 PRO 8 0.291 4.750 4.176
68 HD3 PRO 8 HD3 PRO 8 0.019 6.923 3.458
69 H CYS 9 H CYS 9 0.644 4.319 0.665
70 HA CYS 9 HA CYS 9 2.222 2.550 -0.777
71 HB3 CYS 9 HB3 CYS 9 -0.295 3.301 -2.103
72 H GLU 10 H GLU 10 1.395 5.842 -1.454
73 HA GLU 10 HA GLU 10 2.096 5.720 -4.247
74 HB3 GLU 10 HB3 GLU 10 1.604 8.074 -2.417
75 HG3 GLU 10 HG3 GLU 10 1.013 8.986 -4.876
76 H ASP 11 H ASP 11 3.499 7.420 -1.440
77 HA ASP 11 HA ASP 11 5.826 8.311 -2.617
78 HB3 ASP 11 HB3 ASP 11 6.575 7.572 -0.018
79 H VAL 12 H VAL 12 5.542 5.340 -0.659
80 HA VAL 12 HA VAL 12 8.091 4.361 -1.478
81 HB VAL 12 HB VAL 12 7.551 2.348 -0.277
82 HG11 VAL 12 HG11 VAL 12 6.566 4.857 1.059
83 HG12 VAL 12 HG12 VAL 12 6.794 3.331 1.917
84 HG13 VAL 12 HG13 VAL 12 8.171 4.129 1.156
85 HG21 VAL 12 HG21 VAL 12 5.490 1.522 -0.443
86 HG22 VAL 12 HG22 VAL 12 4.994 2.716 0.757
87 HG23 VAL 12 HG23 VAL 12 4.842 3.079 -0.962
88 H ASN 13 H ASN 13 5.077 4.430 -2.985
89 HA ASN 13 HA ASN 13 4.173 3.398 -4.804
90 HB3 ASN 13 HB3 ASN 13 5.836 2.759 -6.579
91 HD21 ASN 13 HD22 ASN 13 7.685 5.186 -5.028
92 HD22 ASN 13 HD21 ASN 13 7.004 6.546 -5.849
93 H GLY 14 H GLY 14 3.533 1.726 -3.114
94 HA2 GLY 14 HA2 GLY 14 4.902 -0.839 -3.472
95 HA3 GLY 14 HA3 GLY 14 3.687 -0.477 -2.256
96 H GLN 15 H GLN 15 3.036 -2.692 -3.165
97 HA GLN 15 HA GLN 15 1.321 -2.343 -5.530
98 HB3 GLN 15 HB3 GLN 15 1.390 -5.057 -4.958
99 HG3 GLN 15 HG3 GLN 15 3.451 -3.908 -6.773
100 HE21 GLN 15 HE22 GLN 15 3.862 -6.296 -5.979
101 HE22 GLN 15 HE21 GLN 15 3.264 -7.505 -7.059
102 H CYS 16 H CYS 16 -0.696 -3.738 -5.477
103 HA CYS 16 HA CYS 16 -1.909 -3.588 -2.794
104 HB3 CYS 16 HB3 CYS 16 -4.069 -3.203 -3.959
105 H GLN 17 H GLN 17 -1.949 -5.606 -2.020
106 HA GLN 17 HA GLN 17 -3.409 -7.624 -3.518
107 HB3 GLN 17 HB3 GLN 17 -1.547 -8.674 -4.189
108 HG3 GLN 17 HG3 GLN 17 0.086 -7.204 -2.135
109 HE21 GLN 17 HE22 GLN 17 1.055 -9.387 -1.903
110 HE22 GLN 17 HE21 GLN 17 2.278 -9.848 -3.034
111 HA PRO 18 HA PRO 18 -4.955 -8.840 0.400
112 HB3 PRO 18 HB3 PRO 18 -6.184 -10.457 -0.674
113 HG3 PRO 18 HG3 PRO 18 -5.292 -11.654 -2.456
114 HD3 PRO 18 HD3 PRO 18 -4.801 -9.507 -3.136
115 H ARG 19 H ARG 19 -4.578 -10.839 2.079
116 HA ARG 19 HA ARG 19 -1.867 -10.435 3.010
117 HB3 ARG 19 HB3 ARG 19 -2.592 -11.446 5.060
118 HG3 ARG 19 HG3 ARG 19 -4.233 -9.385 3.848
119 HD3 ARG 19 HD3 ARG 19 -5.482 -10.431 6.305
120 HE ARG 19 HE ARG 19 -6.736 -8.690 5.455
121 HH11 ARG 19 HH11 ARG 19 -6.205 -11.100 2.999
122 HH12 ARG 19 HH12 ARG 19 -7.361 -10.422 1.902
123 HH21 ARG 19 HH22 ARG 19 -8.261 -7.788 4.017
124 HH22 ARG 19 HH21 ARG 19 -8.530 -8.539 2.480
125 H GLY 20 H GLY 20 -3.420 -12.658 1.044
126 HA2 GLY 20 HA2 GLY 20 -1.968 -15.007 1.874
127 HA3 GLY 20 HA3 GLY 20 -2.983 -14.855 0.448
128 H ASN 21 H ASN 21 0.007 -13.287 1.599
129 HA ASN 21 HA ASN 21 1.562 -14.393 -0.533
130 HB3 ASN 21 HB3 ASN 21 0.823 -12.831 -2.036
131 HD21 ASN 21 HD22 ASN 21 -1.128 -11.969 -2.084
132 HD22 ASN 21 HD21 ASN 21 -1.663 -10.628 -1.138
133 HA PRO 22 HA PRO 22 4.822 -13.509 2.270
134 HB3 PRO 22 HB3 PRO 22 6.163 -14.816 0.940
135 HG3 PRO 22 HG3 PRO 22 5.944 -14.790 -1.377
136 HD3 PRO 22 HD3 PRO 22 3.742 -15.102 -0.774
137 H CYS 23 H CYS 23 3.896 -11.252 -0.130
138 HA CYS 23 HA CYS 23 5.714 -9.199 0.087
139 HB3 CYS 23 HB3 CYS 23 2.845 -8.427 0.115
140 H LEU 24 H LEU 24 6.065 -7.496 1.468
141 HA LEU 24 HA LEU 24 5.282 -7.909 4.205
142 HB3 LEU 24 HB3 LEU 24 6.865 -5.674 2.940
143 HG LEU 24 HG LEU 24 7.964 -5.667 5.290
144 HD11 LEU 24 HD11 LEU 24 5.228 -4.443 5.102
145 HD12 LEU 24 HD12 LEU 24 6.584 -3.866 4.132
146 HD13 LEU 24 HD13 LEU 24 6.671 -3.806 5.893
147 HD21 LEU 24 HD21 LEU 24 6.781 -6.440 7.089
148 HD22 LEU 24 HD22 LEU 24 6.345 -7.655 5.887
149 HD23 LEU 24 HD23 LEU 24 5.229 -6.340 6.255
150 H ARG 25 H ARG 25 3.168 -7.467 4.568
151 HA ARG 25 HA ARG 25 1.566 -5.570 3.386
152 HB3 ARG 25 HB3 ARG 25 0.669 -5.629 6.013
153 HG3 ARG 25 HG3 ARG 25 -0.371 -6.354 3.664
154 HD3 ARG 25 HD3 ARG 25 0.893 -8.510 3.713
155 HE ARG 25 HE ARG 25 -0.320 -8.819 6.270
156 HH11 ARG 25 HH11 ARG 25 0.713 -10.562 3.439
157 HH12 ARG 25 HH12 ARG 25 0.959 -12.053 4.286
158 HH21 ARG 25 HH22 ARG 25 -0.001 -10.776 7.398
159 HH22 ARG 25 HH21 ARG 25 0.552 -12.173 6.538
160 H LEU 26 H LEU 26 1.462 -3.421 3.408
161 HA LEU 26 HA LEU 26 3.182 -1.964 5.275
162 HB3 LEU 26 HB3 LEU 26 2.452 -0.027 3.676
163 HG LEU 26 HG LEU 26 4.547 -2.034 3.297
164 HD11 LEU 26 HD11 LEU 26 3.185 -1.751 1.044
165 HD12 LEU 26 HD12 LEU 26 4.945 -1.846 1.066
166 HD13 LEU 26 HD13 LEU 26 4.149 -0.278 0.939
167 HD21 LEU 26 HD21 LEU 26 5.282 -0.120 4.330
168 HD22 LEU 26 HD22 LEU 26 4.251 0.932 3.360
169 HD23 LEU 26 HD23 LEU 26 5.703 0.225 2.652
170 H ARG 27 H ARG 27 0.109 -1.075 3.720
171 HA ARG 27 HA ARG 27 -1.255 -0.853 6.245
172 HB3 ARG 27 HB3 ARG 27 -1.774 1.656 5.632
173 HG3 ARG 27 HG3 ARG 27 -0.170 0.505 7.527
174 HD3 ARG 27 HD3 ARG 27 1.435 2.769 6.399
175 HE ARG 27 HE ARG 27 2.777 0.759 7.900
176 HH11 ARG 27 HH11 ARG 27 0.697 3.534 8.195
177 HH12 ARG 27 HH12 ARG 27 1.223 3.923 9.799
178 HH21 ARG 27 HH22 ARG 27 3.480 1.261 10.013
179 HH22 ARG 27 HH21 ARG 27 2.808 2.630 10.831
180 H GLY 28 H GLY 28 -3.405 0.590 5.690
181 HA2 GLY 28 HA2 GLY 28 -4.663 -0.937 3.553
182 HA3 GLY 28 HA3 GLY 28 -5.483 0.056 4.748
183 H ALA 29 H ALA 29 -2.852 0.909 2.526
184 HA ALA 29 HA ALA 29 -4.440 3.182 1.608
185 HB1 ALA 29 HB1 ALA 29 -2.183 3.705 0.424
186 HB2 ALA 29 HB2 ALA 29 -2.335 3.940 2.166
187 HB3 ALA 29 HB3 ALA 29 -1.532 2.501 1.537
188 H CYS 30 H CYS 30 -5.260 0.610 0.724
189 HA CYS 30 HA CYS 30 -4.859 0.951 -2.164
190 HB3 CYS 30 HB3 CYS 30 -5.090 -1.706 -2.115
191 HA PRO 31 HA PRO 31 -9.200 0.490 -2.579
192 HB3 PRO 31 HB3 PRO 31 -8.920 0.694 -4.851
193 HG3 PRO 31 HG3 PRO 31 -7.114 -0.294 -5.931
194 HD3 PRO 31 HD3 PRO 31 -6.010 0.792 -4.223
195 H ARG 32 H ARG 32 -10.994 -0.965 -2.451
196 HA ARG 32 HA ARG 32 -10.731 -3.067 -0.693
197 HB3 ARG 32 HB3 ARG 32 -12.991 -3.662 -1.218
198 HG3 ARG 32 HG3 ARG 32 -12.339 -1.093 -0.577
199 HD3 ARG 32 HD3 ARG 32 -13.772 -1.124 -3.172
200 HE ARG 32 HE ARG 32 -15.103 0.040 -1.090
201 HH11 ARG 32 HH11 ARG 32 -13.546 1.197 -3.979
202 HH12 ARG 32 HH12 ARG 32 -14.598 2.561 -4.157
203 HH21 ARG 32 HH22 ARG 32 -16.496 1.832 -1.314
204 HH22 ARG 32 HH21 ARG 32 -16.275 2.923 -2.640
205 H GLY 33 H GLY 33 -10.617 -5.300 -0.857
206 HA2 GLY 33 HA2 GLY 33 -10.527 -7.354 -2.041
207 HA3 GLY 33 HA3 GLY 33 -10.234 -6.457 -3.523
208 H SER 34 H SER 34 -8.195 -4.817 -1.957
209 HA SER 34 HA SER 34 -6.092 -6.770 -1.497
210 HB3 SER 34 HB3 SER 34 -5.241 -6.577 -3.569
211 HG SER 34 HG SER 34 -6.796 -4.237 -3.969
212 H ARG 35 H ARG 35 -4.092 -5.742 -0.677
213 HA ARG 35 HA ARG 35 -4.599 -3.127 0.571
214 HB3 ARG 35 HB3 ARG 35 -3.639 -3.887 2.652
215 HG3 ARG 35 HG3 ARG 35 -5.978 -5.209 1.558
216 HD3 ARG 35 HD3 ARG 35 -4.325 -7.059 2.543
217 HE ARG 35 HE ARG 35 -4.138 -6.825 4.798
218 HH11 ARG 35 HH11 ARG 35 -7.317 -5.773 3.848
219 HH12 ARG 35 HH12 ARG 35 -7.850 -5.487 5.472
220 HH21 ARG 35 HH22 ARG 35 -4.827 -6.450 6.940
221 HH22 ARG 35 HH21 ARG 35 -6.433 -5.872 7.230
222 H CYS 36 H CYS 36 -2.655 -1.977 1.222
223 HA CYS 36 HA CYS 36 -0.677 -1.997 -0.795
224 HB3 CYS 36 HB3 CYS 36 -0.393 -0.691 1.911
225 H CYS 37 H CYS 37 1.046 -3.249 -1.013
226 HA CYS 37 HA CYS 37 2.218 -4.472 1.397
227 HB3 CYS 37 HB3 CYS 37 0.876 -5.942 -0.365
228 H MET 38 H MET 38 4.502 -5.073 1.169
229 HA MET 38 HA MET 38 5.913 -3.146 -0.545
230 HB3 MET 38 HB3 MET 38 7.527 -4.412 1.519
231 HG3 MET 38 HG3 MET 38 7.610 -1.900 2.235
232 HE1 MET 38 HE1 MET 38 9.687 -0.405 1.571
233 HE2 MET 38 HE2 MET 38 10.065 -1.807 2.570
234 HE3 MET 38 HE3 MET 38 11.117 -1.378 1.220
235 HA PRO 39 HA PRO 39 7.176 -6.778 -2.832
236 HB3 PRO 39 HB3 PRO 39 6.769 -5.550 -4.730
237 HG3 PRO 39 HG3 PRO 39 6.992 -3.235 -4.732
238 HD3 PRO 39 HD3 PRO 39 5.673 -3.505 -2.861
239 H THR 40 H THR 40 9.432 -7.278 -3.950
240 HA THR 40 HA THR 40 11.474 -6.810 -1.883
241 HB THR 40 HB THR 40 12.478 -8.876 -2.445
242 HG1 THR 40 HG1 THR 40 12.420 -9.569 -4.436
243 HG21 THR 40 HG21 THR 40 9.829 -9.984 -2.869
244 HG22 THR 40 HG22 THR 40 9.834 -8.749 -1.611
245 HG23 THR 40 HG23 THR 40 10.906 -10.142 -1.482
246 H VAL 41 H VAL 41 10.893 -4.953 -4.056
247 HA VAL 41 HA VAL 41 12.854 -5.206 -6.098
248 HB VAL 41 HB VAL 41 12.349 -2.884 -6.647
249 HG11 VAL 41 HG11 VAL 41 10.092 -4.755 -6.067
250 HG12 VAL 41 HG12 VAL 41 9.766 -3.152 -6.729
251 HG13 VAL 41 HG13 VAL 41 10.786 -4.284 -7.617
252 HG21 VAL 41 HG21 VAL 41 11.714 -1.410 -5.111
253 HG22 VAL 41 HG22 VAL 41 10.257 -2.346 -4.777
254 HG23 VAL 41 HG23 VAL 41 11.748 -2.690 -3.898
255 H ALA 42 H ALA 42 14.365 -3.130 -6.369
256 HA ALA 42 HA ALA 42 15.730 -2.555 -3.842
257 HB1 ALA 42 HB1 ALA 42 17.369 -3.986 -4.302
258 HB2 ALA 42 HB2 ALA 42 16.731 -4.299 -5.918
259 HB3 ALA 42 HB3 ALA 42 17.812 -2.933 -5.644
260 H ALA 43 H ALA 43 15.874 -0.423 -3.693
261 HA ALA 43 HA ALA 43 16.155 1.776 -4.210
262 HB1 ALA 43 HB1 ALA 43 17.867 2.350 -5.669
263 HB2 ALA 43 HB2 ALA 43 18.298 0.712 -5.175
264 HB3 ALA 43 HB3 ALA 43 17.540 0.990 -6.744
265 H HIS 44 H HIS 44 15.907 3.387 -6.210
266 HA HIS 44 HA HIS 44 14.441 4.365 -7.649
267 HB3 HIS 44 HB3 HIS 44 13.269 2.163 -8.992
268 HD1 HIS 44 HD1 HIS 44 12.854 4.189 -10.573
269 HD2 HIS 44 HD2 HIS 44 16.851 3.147 -10.116
270 HE1 HIS 44 HE1 HIS 44 14.078 5.398 -12.407
Start of MODEL 6
1 H1 ARG 1 H1 ARG 1 -9.037 4.821 -6.277
2 HA ARG 1 HA ARG 1 -9.095 7.166 -5.925
3 HB3 ARG 1 HB3 ARG 1 -9.200 7.922 -3.460
4 HG3 ARG 1 HG3 ARG 1 -11.313 7.160 -5.251
5 HD3 ARG 1 HD3 ARG 1 -11.649 6.525 -2.378
6 HE ARG 1 HE ARG 1 -13.375 8.020 -2.220
7 HH11 ARG 1 HH11 ARG 1 -13.435 6.534 -5.368
8 HH12 ARG 1 HH12 ARG 1 -14.959 7.229 -5.811
9 HH21 ARG 1 HH22 ARG 1 -15.382 8.940 -2.791
10 HH22 ARG 1 HH21 ARG 1 -16.066 8.599 -4.345
11 H ARG 2 H ARG 2 -7.049 7.541 -6.508
12 HA ARG 2 HA ARG 2 -4.954 7.130 -4.484
13 HB3 ARG 2 HB3 ARG 2 -4.699 5.376 -6.140
14 HG3 ARG 2 HG3 ARG 2 -3.841 6.645 -8.452
15 HD3 ARG 2 HD3 ARG 2 -6.296 5.096 -7.701
16 HE ARG 2 HE ARG 2 -6.331 6.662 -9.921
17 HH11 ARG 2 HH11 ARG 2 -6.200 3.227 -9.375
18 HH12 ARG 2 HH12 ARG 2 -7.043 2.830 -10.836
19 HH21 ARG 2 HH22 ARG 2 -7.441 6.153 -11.848
20 HH22 ARG 2 HH21 ARG 2 -7.747 4.496 -12.242
21 H ARG 3 H ARG 3 -3.087 8.538 -4.730
22 HA ARG 3 HA ARG 3 -2.147 10.600 -4.920
23 HB3 ARG 3 HB3 ARG 3 -2.822 11.800 -7.173
24 HG3 ARG 3 HG3 ARG 3 -1.501 9.372 -8.003
25 HD3 ARG 3 HD3 ARG 3 -0.783 12.271 -7.699
26 HE ARG 3 HE ARG 3 1.163 10.738 -9.103
27 HH11 ARG 3 HH11 ARG 3 0.185 11.767 -5.925
28 HH12 ARG 3 HH12 ARG 3 1.778 11.654 -5.256
29 HH21 ARG 3 HH22 ARG 3 3.266 10.587 -8.234
30 HH22 ARG 3 HH21 ARG 3 3.531 10.984 -6.571
31 H ARG 4 H ARG 4 -3.286 11.455 -3.141
32 HA ARG 4 HA ARG 4 -5.199 13.533 -3.889
33 HB3 ARG 4 HB3 ARG 4 -6.155 12.600 -1.439
34 HG3 ARG 4 HG3 ARG 4 -7.584 11.495 -3.719
35 HD3 ARG 4 HD3 ARG 4 -8.077 13.183 -1.343
36 HE ARG 4 HE ARG 4 -10.316 13.287 -3.108
37 HH11 ARG 4 HH11 ARG 4 -7.347 14.885 -2.243
38 HH12 ARG 4 HH12 ARG 4 -7.868 16.440 -2.802
39 HH21 ARG 4 HH22 ARG 4 -11.014 15.330 -3.847
40 HH22 ARG 4 HH21 ARG 4 -9.955 16.692 -3.713
41 H ARG 5 H ARG 5 -3.603 12.095 -1.038
42 HA ARG 5 HA ARG 5 -2.645 14.788 -0.335
43 HB3 ARG 5 HB3 ARG 5 -3.342 12.805 1.798
44 HG3 ARG 5 HG3 ARG 5 -2.151 15.050 2.197
45 HD3 ARG 5 HD3 ARG 5 -4.934 15.910 1.500
46 HE ARG 5 HE ARG 5 -3.466 16.937 3.715
47 HH11 ARG 5 HH11 ARG 5 -5.497 17.861 1.041
48 HH12 ARG 5 HH12 ARG 5 -6.074 19.303 1.809
49 HH21 ARG 5 HH22 ARG 5 -4.219 18.832 4.735
50 HH22 ARG 5 HH21 ARG 5 -5.346 19.854 3.910
51 H ARG 6 H ARG 6 -1.327 12.618 -1.762
52 HA ARG 6 HA ARG 6 0.698 11.584 -1.844
53 HB3 ARG 6 HB3 ARG 6 2.506 12.540 -0.625
54 HG3 ARG 6 HG3 ARG 6 0.790 14.952 -0.615
55 HD3 ARG 6 HD3 ARG 6 3.530 14.173 -1.536
56 HE ARG 6 HE ARG 6 2.035 15.973 -2.987
57 HH11 ARG 6 HH11 ARG 6 4.960 16.053 -1.100
58 HH12 ARG 6 HH12 ARG 6 5.679 17.326 -2.028
59 HH21 ARG 6 HH22 ARG 6 2.971 17.650 -4.217
60 HH22 ARG 6 HH21 ARG 6 4.546 18.234 -3.800
61 HA PRO 7 HA PRO 7 -0.695 8.719 1.561
62 HB3 PRO 7 HB3 PRO 7 -2.397 7.856 0.280
63 HG3 PRO 7 HG3 PRO 7 -2.344 8.001 -2.040
64 HD3 PRO 7 HD3 PRO 7 -1.899 10.196 -1.495
65 HA PRO 8 HA PRO 8 3.075 6.478 1.887
66 HB3 PRO 8 HB3 PRO 8 2.264 5.536 3.818
67 HG3 PRO 8 HG3 PRO 8 0.035 4.896 3.995
68 HD3 PRO 8 HD3 PRO 8 -0.232 7.041 3.197
69 H CYS 9 H CYS 9 0.546 4.361 0.516
70 HA CYS 9 HA CYS 9 2.213 2.571 -0.798
71 HB3 CYS 9 HB3 CYS 9 -0.245 3.210 -2.267
72 H GLU 10 H GLU 10 1.383 5.830 -1.599
73 HA GLU 10 HA GLU 10 2.178 5.635 -4.364
74 HB3 GLU 10 HB3 GLU 10 1.581 8.020 -2.608
75 HG3 GLU 10 HG3 GLU 10 2.991 8.771 -4.409
76 H ASP 11 H ASP 11 3.472 7.425 -1.560
77 HA ASP 11 HA ASP 11 5.833 8.299 -2.686
78 HB3 ASP 11 HB3 ASP 11 6.488 7.648 -0.035
79 H VAL 12 H VAL 12 5.446 5.361 -0.695
80 HA VAL 12 HA VAL 12 8.047 4.381 -1.366
81 HB VAL 12 HB VAL 12 7.469 2.401 -0.129
82 HG11 VAL 12 HG11 VAL 12 6.419 4.943 1.094
83 HG12 VAL 12 HG12 VAL 12 6.619 3.445 2.004
84 HG13 VAL 12 HG13 VAL 12 8.022 4.228 1.277
85 HG21 VAL 12 HG21 VAL 12 4.841 2.850 0.764
86 HG22 VAL 12 HG22 VAL 12 4.811 3.043 -0.989
87 HG23 VAL 12 HG23 VAL 12 5.421 1.549 -0.278
88 H ASN 13 H ASN 13 5.087 4.389 -2.984
89 HA ASN 13 HA ASN 13 4.260 3.303 -4.808
90 HB3 ASN 13 HB3 ASN 13 5.963 2.655 -6.516
91 HD21 ASN 13 HD22 ASN 13 7.903 4.991 -4.982
92 HD22 ASN 13 HD21 ASN 13 7.274 6.384 -5.787
93 H GLY 14 H GLY 14 3.511 1.670 -3.163
94 HA2 GLY 14 HA2 GLY 14 4.925 -0.889 -3.319
95 HA3 GLY 14 HA3 GLY 14 3.604 -0.501 -2.227
96 H GLN 15 H GLN 15 3.008 -2.731 -3.082
97 HA GLN 15 HA GLN 15 1.379 -2.413 -5.515
98 HB3 GLN 15 HB3 GLN 15 1.703 -4.786 -5.975
99 HG3 GLN 15 HG3 GLN 15 4.505 -4.051 -5.455
100 HE21 GLN 15 HE22 GLN 15 5.716 -5.221 -6.761
101 HE22 GLN 15 HE21 GLN 15 5.187 -6.005 -8.208
102 H CYS 16 H CYS 16 -0.730 -2.976 -5.413
103 HA CYS 16 HA CYS 16 -1.849 -3.475 -2.799
104 HB3 CYS 16 HB3 CYS 16 -4.036 -3.321 -4.025
105 H GLN 17 H GLN 17 -1.357 -5.548 -2.189
106 HA GLN 17 HA GLN 17 -2.381 -7.703 -3.917
107 HB3 GLN 17 HB3 GLN 17 -0.693 -9.120 -3.182
108 HG3 GLN 17 HG3 GLN 17 0.984 -6.741 -2.695
109 HE21 GLN 17 HE22 GLN 17 1.488 -9.417 -2.245
110 HE22 GLN 17 HE21 GLN 17 2.624 -9.986 -3.415
111 HA PRO 18 HA PRO 18 -5.317 -8.857 -0.869
112 HB3 PRO 18 HB3 PRO 18 -6.033 -10.478 -2.332
113 HG3 PRO 18 HG3 PRO 18 -4.524 -11.652 -3.656
114 HD3 PRO 18 HD3 PRO 18 -3.842 -9.493 -4.093
115 H ARG 19 H ARG 19 -5.588 -10.807 0.851
116 HA ARG 19 HA ARG 19 -3.273 -10.529 2.610
117 HB3 ARG 19 HB3 ARG 19 -4.714 -11.029 4.411
118 HG3 ARG 19 HG3 ARG 19 -5.343 -8.929 2.822
119 HD3 ARG 19 HD3 ARG 19 -7.418 -10.826 2.411
120 HE ARG 19 HE ARG 19 -8.166 -9.021 4.443
121 HH11 ARG 19 HH11 ARG 19 -9.298 -10.321 1.419
122 HH12 ARG 19 HH12 ARG 19 -10.974 -10.128 1.813
123 HH21 ARG 19 HH22 ARG 19 -10.369 -8.762 4.973
124 HH22 ARG 19 HH21 ARG 19 -11.582 -9.240 3.835
125 H GLY 20 H GLY 20 -2.333 -12.134 0.880
126 HA2 GLY 20 HA2 GLY 20 -2.075 -14.651 2.208
127 HA3 GLY 20 HA3 GLY 20 -3.011 -14.797 0.728
128 H ASN 21 H ASN 21 -0.389 -12.508 1.140
129 HA ASN 21 HA ASN 21 1.213 -14.100 -0.754
130 HB3 ASN 21 HB3 ASN 21 0.893 -12.327 -2.121
131 HD21 ASN 21 HD22 ASN 21 -1.089 -11.481 -2.180
132 HD22 ASN 21 HD21 ASN 21 -1.636 -10.168 -1.199
133 HA PRO 22 HA PRO 22 4.413 -14.095 2.270
134 HB3 PRO 22 HB3 PRO 22 5.362 -15.793 1.049
135 HG3 PRO 22 HG3 PRO 22 5.212 -15.830 -1.272
136 HD3 PRO 22 HD3 PRO 22 2.997 -15.483 -0.736
137 H CYS 23 H CYS 23 4.063 -11.726 -0.108
138 HA CYS 23 HA CYS 23 6.446 -10.274 0.088
139 HB3 CYS 23 HB3 CYS 23 4.511 -9.941 -1.550
140 H LEU 24 H LEU 24 5.868 -7.732 0.893
141 HA LEU 24 HA LEU 24 5.600 -8.074 3.798
142 HB3 LEU 24 HB3 LEU 24 6.908 -5.899 2.173
143 HG LEU 24 HG LEU 24 6.078 -4.958 4.302
144 HD11 LEU 24 HD11 LEU 24 6.150 -6.116 6.188
145 HD12 LEU 24 HD12 LEU 24 7.907 -6.223 6.084
146 HD13 LEU 24 HD13 LEU 24 6.902 -7.457 5.324
147 HD21 LEU 24 HD21 LEU 24 8.993 -5.250 3.731
148 HD22 LEU 24 HD22 LEU 24 8.469 -4.380 5.174
149 HD23 LEU 24 HD23 LEU 24 7.953 -3.834 3.579
150 H ARG 25 H ARG 25 4.494 -6.422 5.023
151 HA ARG 25 HA ARG 25 2.195 -5.356 3.548
152 HB3 ARG 25 HB3 ARG 25 2.617 -5.806 6.507
153 HG3 ARG 25 HG3 ARG 25 -0.002 -5.570 6.367
154 HD3 ARG 25 HD3 ARG 25 0.614 -2.919 6.578
155 HE ARG 25 HE ARG 25 0.223 -5.001 8.421
156 HH11 ARG 25 HH11 ARG 25 1.669 -1.841 8.209
157 HH12 ARG 25 HH12 ARG 25 1.437 -1.480 9.888
158 HH21 ARG 25 HH22 ARG 25 -0.088 -4.536 10.633
159 HH22 ARG 25 HH21 ARG 25 0.438 -3.014 11.264
160 H LEU 26 H LEU 26 1.464 -3.212 3.898
161 HA LEU 26 HA LEU 26 3.482 -1.386 5.022
162 HB3 LEU 26 HB3 LEU 26 2.185 0.067 3.058
163 HG LEU 26 HG LEU 26 4.872 -1.266 3.034
164 HD11 LEU 26 HD11 LEU 26 4.085 -1.254 0.724
165 HD12 LEU 26 HD12 LEU 26 5.383 -0.083 0.964
166 HD13 LEU 26 HD13 LEU 26 3.711 0.465 0.856
167 HD21 LEU 26 HD21 LEU 26 3.763 1.421 3.601
168 HD22 LEU 26 HD22 LEU 26 5.330 1.349 2.794
169 HD23 LEU 26 HD23 LEU 26 5.105 0.562 4.358
170 H ARG 27 H ARG 27 0.275 -0.911 3.563
171 HA ARG 27 HA ARG 27 -0.951 -0.341 6.103
172 HB3 ARG 27 HB3 ARG 27 -1.632 2.015 5.131
173 HG3 ARG 27 HG3 ARG 27 0.126 1.249 7.087
174 HD3 ARG 27 HD3 ARG 27 1.546 3.396 5.563
175 HE ARG 27 HE ARG 27 2.066 1.996 7.978
176 HH11 ARG 27 HH11 ARG 27 3.625 3.391 5.196
177 HH12 ARG 27 HH12 ARG 27 5.121 3.687 6.020
178 HH21 ARG 27 HH22 ARG 27 4.029 2.380 9.074
179 HH22 ARG 27 HH21 ARG 27 5.349 3.110 8.225
180 H GLY 28 H GLY 28 -3.193 0.931 5.448
181 HA2 GLY 28 HA2 GLY 28 -4.489 -0.974 3.659
182 HA3 GLY 28 HA3 GLY 28 -5.293 0.146 4.748
183 H ALA 29 H ALA 29 -2.780 1.351 2.709
184 HA ALA 29 HA ALA 29 -4.607 3.147 1.416
185 HB1 ALA 29 HB1 ALA 29 -1.659 2.763 1.444
186 HB2 ALA 29 HB2 ALA 29 -2.376 3.673 0.112
187 HB3 ALA 29 HB3 ALA 29 -2.615 4.207 1.776
188 H CYS 30 H CYS 30 -5.694 0.956 0.635
189 HA CYS 30 HA CYS 30 -5.147 0.824 -2.200
190 HB3 CYS 30 HB3 CYS 30 -5.279 -1.823 -1.887
191 HA PRO 31 HA PRO 31 -9.473 0.169 -2.510
192 HB3 PRO 31 HB3 PRO 31 -9.224 0.170 -4.795
193 HG3 PRO 31 HG3 PRO 31 -7.392 -0.848 -5.802
194 HD3 PRO 31 HD3 PRO 31 -6.313 0.432 -4.218
195 H ARG 32 H ARG 32 -11.208 -1.333 -2.222
196 HA ARG 32 HA ARG 32 -10.838 -3.256 -0.284
197 HB3 ARG 32 HB3 ARG 32 -13.088 -3.963 -0.695
198 HG3 ARG 32 HG3 ARG 32 -12.508 -1.325 -0.317
199 HD3 ARG 32 HD3 ARG 32 -13.993 -1.647 -2.863
200 HE ARG 32 HE ARG 32 -15.048 -0.017 -0.753
201 HH11 ARG 32 HH11 ARG 32 -14.602 -0.272 -4.196
202 HH12 ARG 32 HH12 ARG 32 -15.945 0.754 -4.578
203 HH21 ARG 32 HH22 ARG 32 -16.818 1.334 -1.241
204 HH22 ARG 32 HH21 ARG 32 -17.204 1.668 -2.896
205 H GLY 33 H GLY 33 -10.680 -5.499 -0.258
206 HA2 GLY 33 HA2 GLY 33 -10.393 -7.639 -1.144
207 HA3 GLY 33 HA3 GLY 33 -10.463 -6.954 -2.761
208 H SER 34 H SER 34 -8.370 -4.981 -1.363
209 HA SER 34 HA SER 34 -6.029 -6.706 -1.426
210 HB3 SER 34 HB3 SER 34 -4.886 -5.448 -3.152
211 HG SER 34 HG SER 34 -6.327 -5.899 -4.931
212 H ARG 35 H ARG 35 -4.078 -5.617 -0.697
213 HA ARG 35 HA ARG 35 -4.559 -3.094 0.727
214 HB3 ARG 35 HB3 ARG 35 -4.794 -5.117 2.243
215 HG3 ARG 35 HG3 ARG 35 -1.846 -5.243 2.432
216 HD3 ARG 35 HD3 ARG 35 -3.231 -7.741 2.516
217 HE ARG 35 HE ARG 35 -1.529 -6.239 4.293
218 HH11 ARG 35 HH11 ARG 35 -3.520 -9.071 3.913
219 HH12 ARG 35 HH12 ARG 35 -2.717 -9.963 5.163
220 HH21 ARG 35 HH22 ARG 35 -0.464 -7.405 5.939
221 HH22 ARG 35 HH21 ARG 35 -0.978 -9.014 6.315
222 H CYS 36 H CYS 36 -2.604 -1.939 1.299
223 HA CYS 36 HA CYS 36 -0.699 -1.951 -0.806
224 HB3 CYS 36 HB3 CYS 36 -0.510 -0.543 1.865
225 H CYS 37 H CYS 37 0.765 -3.510 -1.031
226 HA CYS 37 HA CYS 37 2.147 -4.491 1.381
227 HB3 CYS 37 HB3 CYS 37 0.970 -5.875 -0.893
228 H MET 38 H MET 38 4.292 -4.239 1.520
229 HA MET 38 HA MET 38 5.650 -2.708 -0.497
230 HB3 MET 38 HB3 MET 38 7.132 -3.971 1.760
231 HG3 MET 38 HG3 MET 38 7.718 -1.402 1.950
232 HE1 MET 38 HE1 MET 38 9.670 -0.357 0.940
233 HE2 MET 38 HE2 MET 38 10.702 -1.387 1.931
234 HE3 MET 38 HE3 MET 38 11.040 -1.195 0.211
235 HA PRO 39 HA PRO 39 7.236 -6.133 -2.796
236 HB3 PRO 39 HB3 PRO 39 7.413 -4.662 -4.553
237 HG3 PRO 39 HG3 PRO 39 7.910 -2.419 -4.193
238 HD3 PRO 39 HD3 PRO 39 6.185 -2.689 -2.689
239 H THR 40 H THR 40 9.703 -6.674 -3.552
240 HA THR 40 HA THR 40 11.231 -6.816 -1.036
241 HB THR 40 HB THR 40 11.588 -8.700 -3.359
242 HG1 THR 40 HG1 THR 40 9.392 -8.788 -2.617
243 HG21 THR 40 HG21 THR 40 12.666 -8.415 -0.662
244 HG22 THR 40 HG22 THR 40 13.281 -9.337 -2.035
245 HG23 THR 40 HG23 THR 40 12.043 -10.033 -0.990
246 H VAL 41 H VAL 41 11.512 -4.533 -2.563
247 HA VAL 41 HA VAL 41 13.895 -4.842 -4.204
248 HB VAL 41 HB VAL 41 13.662 -2.491 -4.727
249 HG11 VAL 41 HG11 VAL 41 12.172 -3.101 -6.253
250 HG12 VAL 41 HG12 VAL 41 11.690 -4.468 -5.245
251 HG13 VAL 41 HG13 VAL 41 10.876 -2.911 -5.072
252 HG21 VAL 41 HG21 VAL 41 13.011 -1.398 -2.795
253 HG22 VAL 41 HG22 VAL 41 11.532 -1.354 -3.755
254 HG23 VAL 41 HG23 VAL 41 11.708 -2.539 -2.462
255 H ALA 42 H ALA 42 15.489 -2.843 -3.836
256 HA ALA 42 HA ALA 42 15.996 -2.364 -1.013
257 HB1 ALA 42 HB1 ALA 42 17.998 -3.464 -0.822
258 HB2 ALA 42 HB2 ALA 42 17.120 -4.571 -1.878
259 HB3 ALA 42 HB3 ALA 42 18.299 -3.451 -2.561
260 H ALA 43 H ALA 43 16.834 -0.395 -0.686
261 HA ALA 43 HA ALA 43 17.678 1.132 -3.047
262 HB1 ALA 43 HB1 ALA 43 16.642 2.909 -2.178
263 HB2 ALA 43 HB2 ALA 43 15.875 1.761 -1.078
264 HB3 ALA 43 HB3 ALA 43 17.322 2.635 -0.574
265 H HIS 44 H HIS 44 19.388 2.815 -2.629
266 HA HIS 44 HA HIS 44 21.371 1.978 -0.644
267 HB3 HIS 44 HB3 HIS 44 22.673 2.703 -3.128
268 HD1 HIS 44 HD1 HIS 44 22.982 -0.703 -3.306
269 HD2 HIS 44 HD2 HIS 44 24.124 2.024 -0.388
270 HE1 HIS 44 HE1 HIS 44 24.803 -1.843 -1.995
Start of MODEL 7
1 H1 ARG 1 H1 ARG 1 -3.700 4.683 -10.553
2 HA ARG 1 HA ARG 1 -2.181 6.381 -10.129
3 HB3 ARG 1 HB3 ARG 1 -2.383 8.566 -11.236
4 HG3 ARG 1 HG3 ARG 1 -2.870 6.435 -13.297
5 HD3 ARG 1 HD3 ARG 1 -1.680 9.153 -13.259
6 HE ARG 1 HE ARG 1 -0.713 7.569 -15.446
7 HH11 ARG 1 HH11 ARG 1 -0.034 8.694 -12.223
8 HH12 ARG 1 HH12 ARG 1 1.683 8.533 -12.388
9 HH21 ARG 1 HH22 ARG 1 1.546 7.352 -15.676
10 HH22 ARG 1 HH21 ARG 1 2.581 7.770 -14.352
11 H ARG 2 H ARG 2 -2.417 6.826 -8.040
12 HA ARG 2 HA ARG 2 -4.807 8.323 -7.186
13 HB3 ARG 2 HB3 ARG 2 -3.097 6.628 -5.379
14 HG3 ARG 2 HG3 ARG 2 -5.696 8.009 -5.138
15 HD3 ARG 2 HD3 ARG 2 -5.234 5.190 -4.346
16 HE ARG 2 HE ARG 2 -5.789 7.014 -2.329
17 HH11 ARG 2 HH11 ARG 2 -7.233 4.167 -3.719
18 HH12 ARG 2 HH12 ARG 2 -8.005 3.682 -2.246
19 HH21 ARG 2 HH22 ARG 2 -6.800 6.384 -0.385
20 HH22 ARG 2 HH21 ARG 2 -7.759 4.944 -0.350
21 H ARG 3 H ARG 3 -4.451 9.711 -5.243
22 HA ARG 3 HA ARG 3 -1.893 10.564 -4.450
23 HB3 ARG 3 HB3 ARG 3 -1.606 11.483 -6.635
24 HG3 ARG 3 HG3 ARG 3 -4.146 13.057 -6.341
25 HD3 ARG 3 HD3 ARG 3 -3.025 12.476 -8.979
26 HE ARG 3 HE ARG 3 -4.419 14.636 -7.738
27 HH11 ARG 3 HH11 ARG 3 -2.314 13.798 -10.381
28 HH12 ARG 3 HH12 ARG 3 -2.840 15.107 -11.387
29 HH21 ARG 3 HH22 ARG 3 -5.119 16.363 -9.053
30 HH22 ARG 3 HH21 ARG 3 -4.434 16.566 -10.629
31 H ARG 4 H ARG 4 -3.913 9.967 -2.890
32 HA ARG 4 HA ARG 4 -5.500 12.304 -2.245
33 HB3 ARG 4 HB3 ARG 4 -5.857 10.477 -0.196
34 HG3 ARG 4 HG3 ARG 4 -7.380 10.409 -2.786
35 HD3 ARG 4 HD3 ARG 4 -7.871 9.522 0.011
36 HE ARG 4 HE ARG 4 -9.732 11.177 -1.111
37 HH11 ARG 4 HH11 ARG 4 -9.629 7.807 -0.243
38 HH12 ARG 4 HH12 ARG 4 -11.328 7.707 0.089
39 HH21 ARG 4 HH22 ARG 4 -11.969 11.057 -0.677
40 HH22 ARG 4 HH21 ARG 4 -12.657 9.556 -0.159
41 H ARG 5 H ARG 5 -4.050 13.855 -1.543
42 HA ARG 5 HA ARG 5 -2.738 14.997 -0.079
43 HB3 ARG 5 HB3 ARG 5 -3.366 13.021 2.078
44 HG3 ARG 5 HG3 ARG 5 -2.299 15.567 2.091
45 HD3 ARG 5 HD3 ARG 5 -4.782 16.228 1.681
46 HE ARG 5 HE ARG 5 -6.162 15.503 3.340
47 HH11 ARG 5 HH11 ARG 5 -3.088 16.334 4.747
48 HH12 ARG 5 HH12 ARG 5 -3.608 16.052 6.374
49 HH21 ARG 5 HH22 ARG 5 -6.861 15.130 5.479
50 HH22 ARG 5 HH21 ARG 5 -5.756 15.366 6.791
51 H ARG 6 H ARG 6 -1.520 12.940 -1.640
52 HA ARG 6 HA ARG 6 0.422 11.770 -1.842
53 HB3 ARG 6 HB3 ARG 6 1.445 13.222 0.581
54 HG3 ARG 6 HG3 ARG 6 2.661 11.721 -1.485
55 HD3 ARG 6 HD3 ARG 6 3.595 14.584 -1.437
56 HE ARG 6 HE ARG 6 5.407 13.558 -2.363
57 HH11 ARG 6 HH11 ARG 6 2.524 11.987 -3.522
58 HH12 ARG 6 HH12 ARG 6 3.372 10.962 -4.634
59 HH21 ARG 6 HH22 ARG 6 6.534 12.214 -3.822
60 HH22 ARG 6 HH21 ARG 6 5.653 11.091 -4.801
61 HA PRO 7 HA PRO 7 -0.828 8.942 1.646
62 HB3 PRO 7 HB3 PRO 7 -2.634 8.132 0.479
63 HG3 PRO 7 HG3 PRO 7 -2.727 8.281 -1.840
64 HD3 PRO 7 HD3 PRO 7 -2.183 10.460 -1.326
65 HA PRO 8 HA PRO 8 2.884 6.587 1.724
66 HB3 PRO 8 HB3 PRO 8 2.172 5.662 3.703
67 HG3 PRO 8 HG3 PRO 8 -0.059 5.088 4.024
68 HD3 PRO 8 HD3 PRO 8 -0.312 7.244 3.247
69 H CYS 9 H CYS 9 0.208 4.561 0.510
70 HA CYS 9 HA CYS 9 1.709 2.705 -0.898
71 HB3 CYS 9 HB3 CYS 9 -0.763 3.463 -2.270
72 H GLU 10 H GLU 10 0.987 6.005 -1.668
73 HA GLU 10 HA GLU 10 1.679 5.773 -4.457
74 HB3 GLU 10 HB3 GLU 10 1.745 8.413 -4.072
75 HG3 GLU 10 HG3 GLU 10 -0.665 8.540 -4.423
76 H ASP 11 H ASP 11 3.136 7.450 -1.666
77 HA ASP 11 HA ASP 11 5.469 8.315 -2.838
78 HB3 ASP 11 HB3 ASP 11 6.453 8.322 -0.600
79 H VAL 12 H VAL 12 5.109 5.274 -1.002
80 HA VAL 12 HA VAL 12 7.639 4.276 -1.896
81 HB VAL 12 HB VAL 12 7.099 2.250 -0.711
82 HG11 VAL 12 HG11 VAL 12 5.914 3.765 1.356
83 HG12 VAL 12 HG12 VAL 12 7.618 3.357 1.142
84 HG13 VAL 12 HG13 VAL 12 6.975 4.850 0.458
85 HG21 VAL 12 HG21 VAL 12 4.674 2.464 0.467
86 HG22 VAL 12 HG22 VAL 12 4.340 3.190 -1.104
87 HG23 VAL 12 HG23 VAL 12 4.979 1.549 -1.009
88 H ASN 13 H ASN 13 4.553 4.401 -3.268
89 HA ASN 13 HA ASN 13 3.561 3.404 -5.060
90 HB3 ASN 13 HB3 ASN 13 5.145 2.797 -6.925
91 HD21 ASN 13 HD22 ASN 13 6.989 5.241 -5.364
92 HD22 ASN 13 HD21 ASN 13 6.270 6.596 -6.160
93 H GLY 14 H GLY 14 4.027 1.714 -2.775
94 HA2 GLY 14 HA2 GLY 14 5.061 -0.805 -3.403
95 HA3 GLY 14 HA3 GLY 14 3.826 -0.496 -2.191
96 H GLN 15 H GLN 15 3.325 -2.762 -3.111
97 HA GLN 15 HA GLN 15 1.642 -2.547 -5.508
98 HB3 GLN 15 HB3 GLN 15 1.692 -5.211 -4.896
99 HG3 GLN 15 HG3 GLN 15 4.075 -4.426 -6.378
100 HE21 GLN 15 HE22 GLN 15 4.551 -6.249 -7.351
101 HE22 GLN 15 HE21 GLN 15 3.427 -7.385 -8.006
102 H CYS 16 H CYS 16 -0.388 -3.850 -5.481
103 HA CYS 16 HA CYS 16 -1.673 -3.695 -2.832
104 HB3 CYS 16 HB3 CYS 16 -3.801 -3.277 -4.093
105 H GLN 17 H GLN 17 -2.046 -5.651 -2.043
106 HA GLN 17 HA GLN 17 -3.481 -7.609 -3.576
107 HB3 GLN 17 HB3 GLN 17 -1.647 -8.632 -4.389
108 HG3 GLN 17 HG3 GLN 17 0.037 -7.462 -2.186
109 HE21 GLN 17 HE22 GLN 17 1.066 -9.513 -1.964
110 HE22 GLN 17 HE21 GLN 17 2.203 -10.052 -3.149
111 HA PRO 18 HA PRO 18 -4.911 -8.886 0.367
112 HB3 PRO 18 HB3 PRO 18 -6.253 -10.415 -0.703
113 HG3 PRO 18 HG3 PRO 18 -5.488 -11.588 -2.560
114 HD3 PRO 18 HD3 PRO 18 -4.935 -9.442 -3.191
115 H ARG 19 H ARG 19 -4.551 -10.888 2.004
116 HA ARG 19 HA ARG 19 -1.777 -10.660 2.793
117 HB3 ARG 19 HB3 ARG 19 -3.543 -10.436 4.473
118 HG3 ARG 19 HG3 ARG 19 -4.126 -13.310 4.594
119 HD3 ARG 19 HD3 ARG 19 -6.361 -11.486 4.594
120 HE ARG 19 HE ARG 19 -5.638 -13.709 6.029
121 HH11 ARG 19 HH11 ARG 19 -6.843 -10.529 6.777
122 HH12 ARG 19 HH12 ARG 19 -7.674 -11.038 8.210
123 HH21 ARG 19 HH22 ARG 19 -6.727 -14.391 7.914
124 HH22 ARG 19 HH21 ARG 19 -7.606 -13.234 8.856
125 H GLY 20 H GLY 20 -3.470 -12.708 0.807
126 HA2 GLY 20 HA2 GLY 20 -2.164 -15.177 1.565
127 HA3 GLY 20 HA3 GLY 20 -3.215 -14.932 0.178
128 H ASN 21 H ASN 21 -0.124 -13.492 1.225
129 HA ASN 21 HA ASN 21 1.307 -14.677 -0.960
130 HB3 ASN 21 HB3 ASN 21 0.602 -13.064 -2.422
131 HD21 ASN 21 HD22 ASN 21 -1.317 -12.127 -2.383
132 HD22 ASN 21 HD21 ASN 21 -1.754 -10.765 -1.414
133 HA PRO 22 HA PRO 22 4.742 -13.956 1.674
134 HB3 PRO 22 HB3 PRO 22 6.004 -15.181 0.196
135 HG3 PRO 22 HG3 PRO 22 5.672 -15.004 -2.099
136 HD3 PRO 22 HD3 PRO 22 3.499 -15.343 -1.408
137 H CYS 23 H CYS 23 3.932 -11.568 -0.718
138 HA CYS 23 HA CYS 23 5.762 -9.562 -0.245
139 HB3 CYS 23 HB3 CYS 23 2.866 -8.858 -0.541
140 H LEU 24 H LEU 24 6.058 -7.993 1.268
141 HA LEU 24 HA LEU 24 5.118 -8.462 3.894
142 HB3 LEU 24 HB3 LEU 24 6.167 -5.783 3.187
143 HG LEU 24 HG LEU 24 6.043 -7.136 5.565
144 HD11 LEU 24 HD11 LEU 24 7.907 -8.597 4.584
145 HD12 LEU 24 HD12 LEU 24 8.143 -7.923 6.197
146 HD13 LEU 24 HD13 LEU 24 8.943 -7.185 4.809
147 HD21 LEU 24 HD21 LEU 24 7.156 -4.700 4.515
148 HD22 LEU 24 HD22 LEU 24 8.161 -5.330 5.820
149 HD23 LEU 24 HD23 LEU 24 6.448 -5.019 6.099
150 H ARG 25 H ARG 25 4.429 -6.162 5.061
151 HA ARG 25 HA ARG 25 1.971 -5.322 3.667
152 HB3 ARG 25 HB3 ARG 25 1.531 -6.826 5.594
153 HG3 ARG 25 HG3 ARG 25 1.715 -5.638 7.872
154 HD3 ARG 25 HD3 ARG 25 4.416 -6.340 7.516
155 HE ARG 25 HE ARG 25 2.380 -7.240 9.075
156 HH11 ARG 25 HH11 ARG 25 4.787 -8.784 7.089
157 HH12 ARG 25 HH12 ARG 25 4.865 -10.212 8.066
158 HH21 ARG 25 HH22 ARG 25 2.473 -9.115 10.369
159 HH22 ARG 25 HH21 ARG 25 3.548 -10.401 9.931
160 H LEU 26 H LEU 26 1.219 -3.179 4.115
161 HA LEU 26 HA LEU 26 3.217 -1.378 5.294
162 HB3 LEU 26 HB3 LEU 26 2.360 0.218 3.371
163 HG LEU 26 HG LEU 26 4.505 -1.858 3.036
164 HD11 LEU 26 HD11 LEU 26 4.840 0.241 1.172
165 HD12 LEU 26 HD12 LEU 26 3.217 -0.413 0.954
166 HD13 LEU 26 HD13 LEU 26 4.618 -1.480 0.858
167 HD21 LEU 26 HD21 LEU 26 5.678 0.577 2.955
168 HD22 LEU 26 HD22 LEU 26 5.453 -0.366 4.428
169 HD23 LEU 26 HD23 LEU 26 4.306 0.908 4.014
170 H ARG 27 H ARG 27 0.105 -0.904 3.631
171 HA ARG 27 HA ARG 27 -1.263 -0.290 6.085
172 HB3 ARG 27 HB3 ARG 27 -1.880 2.051 5.037
173 HG3 ARG 27 HG3 ARG 27 -0.247 1.313 7.107
174 HD3 ARG 27 HD3 ARG 27 1.267 3.436 5.640
175 HE ARG 27 HE ARG 27 1.604 2.178 8.127
176 HH11 ARG 27 HH11 ARG 27 3.453 3.142 5.340
177 HH12 ARG 27 HH12 ARG 27 4.925 3.358 6.227
178 HH21 ARG 27 HH22 ARG 27 3.535 2.459 9.308
179 HH22 ARG 27 HH21 ARG 27 4.970 2.969 8.486
180 H GLY 28 H GLY 28 -3.487 0.882 5.357
181 HA2 GLY 28 HA2 GLY 28 -4.604 -0.958 3.372
182 HA3 GLY 28 HA3 GLY 28 -5.517 -0.031 4.553
183 H ALA 29 H ALA 29 -3.093 1.701 2.875
184 HA ALA 29 HA ALA 29 -4.850 3.594 1.823
185 HB1 ALA 29 HB1 ALA 29 -2.802 4.520 1.870
186 HB2 ALA 29 HB2 ALA 29 -1.986 2.988 1.556
187 HB3 ALA 29 HB3 ALA 29 -2.694 3.898 0.222
188 H CYS 30 H CYS 30 -3.912 0.507 0.617
189 HA CYS 30 HA CYS 30 -4.441 0.949 -2.138
190 HB3 CYS 30 HB3 CYS 30 -4.844 -1.695 -1.912
191 HA PRO 31 HA PRO 31 -8.809 0.718 -2.459
192 HB3 PRO 31 HB3 PRO 31 -8.563 0.781 -4.743
193 HG3 PRO 31 HG3 PRO 31 -6.837 -0.370 -5.795
194 HD3 PRO 31 HD3 PRO 31 -5.640 0.741 -4.168
195 H ARG 32 H ARG 32 -10.675 -0.604 -2.184
196 HA ARG 32 HA ARG 32 -10.479 -2.638 -0.336
197 HB3 ARG 32 HB3 ARG 32 -12.795 -3.085 -0.728
198 HG3 ARG 32 HG3 ARG 32 -11.939 -0.537 -0.269
199 HD3 ARG 32 HD3 ARG 32 -12.465 -0.212 -2.798
200 HE ARG 32 HE ARG 32 -15.110 -0.699 -1.808
201 HH11 ARG 32 HH11 ARG 32 -13.229 1.077 -4.139
202 HH12 ARG 32 HH12 ARG 32 -14.544 1.263 -5.252
203 HH21 ARG 32 HH22 ARG 32 -16.849 -0.460 -3.266
204 HH22 ARG 32 HH21 ARG 32 -16.602 0.389 -4.753
205 H GLY 33 H GLY 33 -10.655 -4.900 -0.424
206 HA2 GLY 33 HA2 GLY 33 -10.701 -6.998 -1.493
207 HA3 GLY 33 HA3 GLY 33 -10.453 -6.192 -3.035
208 H SER 34 H SER 34 -8.215 -4.618 -1.682
209 HA SER 34 HA SER 34 -6.209 -6.733 -1.414
210 HB3 SER 34 HB3 SER 34 -5.153 -6.275 -3.339
211 HG SER 34 HG SER 34 -7.534 -4.847 -3.638
212 H ARG 35 H ARG 35 -4.025 -5.723 -0.807
213 HA ARG 35 HA ARG 35 -4.378 -3.305 0.819
214 HB3 ARG 35 HB3 ARG 35 -3.146 -4.365 2.679
215 HG3 ARG 35 HG3 ARG 35 -5.780 -5.341 1.805
216 HD3 ARG 35 HD3 ARG 35 -4.151 -7.264 2.827
217 HE ARG 35 HE ARG 35 -3.986 -6.906 5.069
218 HH11 ARG 35 HH11 ARG 35 -7.132 -5.855 4.012
219 HH12 ARG 35 HH12 ARG 35 -7.693 -5.497 5.610
220 HH21 ARG 35 HH22 ARG 35 -4.714 -6.439 7.180
221 HH22 ARG 35 HH21 ARG 35 -6.317 -5.828 7.411
222 H CYS 36 H CYS 36 -2.404 -2.210 1.346
223 HA CYS 36 HA CYS 36 -0.526 -2.232 -0.794
224 HB3 CYS 36 HB3 CYS 36 0.152 -0.846 1.747
225 H CYS 37 H CYS 37 0.872 -3.858 -1.015
226 HA CYS 37 HA CYS 37 2.166 -4.959 1.381
227 HB3 CYS 37 HB3 CYS 37 0.938 -6.391 -0.435
228 H MET 38 H MET 38 4.394 -5.089 1.559
229 HA MET 38 HA MET 38 5.857 -3.170 -0.074
230 HB3 MET 38 HB3 MET 38 7.459 -4.438 1.958
231 HG3 MET 38 HG3 MET 38 7.100 -1.999 2.936
232 HE1 MET 38 HE1 MET 38 8.370 0.111 1.508
233 HE2 MET 38 HE2 MET 38 9.449 -0.399 2.806
234 HE3 MET 38 HE3 MET 38 10.081 -0.164 1.177
235 HA PRO 39 HA PRO 39 7.619 -6.399 -2.545
236 HB3 PRO 39 HB3 PRO 39 7.757 -4.825 -4.212
237 HG3 PRO 39 HG3 PRO 39 8.114 -2.580 -3.717
238 HD3 PRO 39 HD3 PRO 39 6.368 -3.032 -2.282
239 H THR 40 H THR 40 10.122 -6.780 -3.250
240 HA THR 40 HA THR 40 11.571 -7.024 -0.700
241 HB THR 40 HB THR 40 12.190 -8.613 -3.180
242 HG1 THR 40 HG1 THR 40 10.188 -9.058 -1.219
243 HG21 THR 40 HG21 THR 40 13.420 -8.401 -0.704
244 HG22 THR 40 HG22 THR 40 13.658 -9.691 -1.882
245 HG23 THR 40 HG23 THR 40 12.479 -9.889 -0.587
246 H VAL 41 H VAL 41 11.685 -4.585 -2.090
247 HA VAL 41 HA VAL 41 14.126 -4.510 -3.633
248 HB VAL 41 HB VAL 41 13.774 -2.076 -3.698
249 HG11 VAL 41 HG11 VAL 41 12.155 -4.068 -4.831
250 HG12 VAL 41 HG12 VAL 41 11.071 -2.757 -4.362
251 HG13 VAL 41 HG13 VAL 41 12.436 -2.435 -5.432
252 HG21 VAL 41 HG21 VAL 41 12.769 -1.961 -1.393
253 HG22 VAL 41 HG22 VAL 41 11.940 -1.011 -2.625
254 HG23 VAL 41 HG23 VAL 41 11.265 -2.554 -2.101
255 H ALA 42 H ALA 42 15.641 -2.550 -2.969
256 HA ALA 42 HA ALA 42 16.274 -2.843 -0.106
257 HB1 ALA 42 HB1 ALA 42 18.578 -2.314 -1.809
258 HB2 ALA 42 HB2 ALA 42 18.366 -3.505 -0.526
259 HB3 ALA 42 HB3 ALA 42 17.792 -3.854 -2.158
260 H ALA 43 H ALA 43 17.998 -1.083 0.501
261 HA ALA 43 HA ALA 43 16.729 1.433 0.179
262 HB1 ALA 43 HB1 ALA 43 17.781 1.362 2.193
263 HB2 ALA 43 HB2 ALA 43 19.147 0.432 1.575
264 HB3 ALA 43 HB3 ALA 43 19.044 2.163 1.258
265 H HIS 44 H HIS 44 16.794 2.604 -1.619
266 HA HIS 44 HA HIS 44 19.223 2.546 -3.272
267 HB3 HIS 44 HB3 HIS 44 17.420 3.838 -4.823
268 HD1 HIS 44 HD1 HIS 44 19.295 2.492 -6.197
269 HD2 HIS 44 HD2 HIS 44 16.176 0.226 -4.647
270 HE1 HIS 44 HE1 HIS 44 19.370 0.308 -7.439
Start of MODEL 8
1 H1 ARG 1 H1 ARG 1 -8.465 7.235 -0.805
2 HA ARG 1 HA ARG 1 -7.703 8.819 -2.516
3 HB3 ARG 1 HB3 ARG 1 -5.308 8.515 -0.766
4 HG3 ARG 1 HG3 ARG 1 -6.880 10.719 -1.931
5 HD3 ARG 1 HD3 ARG 1 -5.964 12.279 -0.193
6 HE ARG 1 HE ARG 1 -8.292 10.720 0.077
7 HH11 ARG 1 HH11 ARG 1 -6.206 12.804 1.929
8 HH12 ARG 1 HH12 ARG 1 -7.459 13.313 3.011
9 HH21 ARG 1 HH22 ARG 1 -9.950 11.383 1.496
10 HH22 ARG 1 HH21 ARG 1 -9.588 12.504 2.764
11 H ARG 2 H ARG 2 -6.750 8.881 -4.438
12 HA ARG 2 HA ARG 2 -4.434 7.124 -4.914
13 HB3 ARG 2 HB3 ARG 2 -6.338 7.877 -7.103
14 HG3 ARG 2 HG3 ARG 2 -5.252 5.172 -6.995
15 HD3 ARG 2 HD3 ARG 2 -5.053 7.321 -9.098
16 HE ARG 2 HE ARG 2 -4.012 4.770 -9.129
17 HH11 ARG 2 HH11 ARG 2 -6.286 6.607 -11.018
18 HH12 ARG 2 HH12 ARG 2 -5.945 5.764 -12.491
19 HH21 ARG 2 HH22 ARG 2 -3.553 3.650 -11.062
20 HH22 ARG 2 HH21 ARG 2 -4.390 4.081 -12.516
21 H ARG 3 H ARG 3 -2.884 8.697 -4.624
22 HA ARG 3 HA ARG 3 -1.531 10.452 -5.140
23 HB3 ARG 3 HB3 ARG 3 -2.260 11.107 -7.784
24 HG3 ARG 3 HG3 ARG 3 -0.026 9.940 -6.414
25 HD3 ARG 3 HD3 ARG 3 -0.621 8.855 -9.165
26 HE ARG 3 HE ARG 3 1.859 9.090 -7.795
27 HH11 ARG 3 HH11 ARG 3 -0.006 6.970 -9.831
28 HH12 ARG 3 HH12 ARG 3 1.382 6.179 -10.502
29 HH21 ARG 3 HH22 ARG 3 3.696 8.056 -8.672
30 HH22 ARG 3 HH21 ARG 3 3.487 6.797 -9.841
31 H ARG 4 H ARG 4 -2.419 11.993 -3.785
32 HA ARG 4 HA ARG 4 -3.640 14.236 -5.093
33 HB3 ARG 4 HB3 ARG 4 -5.206 12.866 -2.900
34 HG3 ARG 4 HG3 ARG 4 -5.384 15.424 -3.273
35 HD3 ARG 4 HD3 ARG 4 -7.469 15.466 -5.028
36 HE ARG 4 HE ARG 4 -4.917 16.049 -6.231
37 HH11 ARG 4 HH11 ARG 4 -7.347 17.102 -3.970
38 HH12 ARG 4 HH12 ARG 4 -6.887 18.770 -4.053
39 HH21 ARG 4 HH22 ARG 4 -4.302 18.242 -6.347
40 HH22 ARG 4 HH21 ARG 4 -5.155 19.418 -5.405
41 H ARG 5 H ARG 5 -3.180 12.795 -1.862
42 HA ARG 5 HA ARG 5 -1.915 15.325 -1.028
43 HB3 ARG 5 HB3 ARG 5 -3.148 13.484 0.974
44 HG3 ARG 5 HG3 ARG 5 -2.308 16.281 0.858
45 HD3 ARG 5 HD3 ARG 5 -4.007 17.002 2.504
46 HE ARG 5 HE ARG 5 -4.498 16.780 -0.248
47 HH11 ARG 5 HH11 ARG 5 -6.205 17.308 2.740
48 HH12 ARG 5 HH12 ARG 5 -7.468 18.236 2.005
49 HH21 ARG 5 HH22 ARG 5 -6.158 18.001 -1.227
50 HH22 ARG 5 HH21 ARG 5 -7.442 18.630 -0.251
51 H ARG 6 H ARG 6 -0.614 13.044 -2.244
52 HA ARG 6 HA ARG 6 1.238 11.750 -1.991
53 HB3 ARG 6 HB3 ARG 6 2.705 12.423 0.051
54 HG3 ARG 6 HG3 ARG 6 2.261 14.816 -1.625
55 HD3 ARG 6 HD3 ARG 6 4.740 14.445 -1.967
56 HE ARG 6 HE ARG 6 3.523 15.223 0.519
57 HH11 ARG 6 HH11 ARG 6 6.521 14.800 -1.199
58 HH12 ARG 6 HH12 ARG 6 7.394 15.929 -0.215
59 HH21 ARG 6 HH22 ARG 6 4.662 16.711 1.821
60 HH22 ARG 6 HH21 ARG 6 6.335 17.014 1.502
61 HA PRO 7 HA PRO 7 -0.999 9.092 1.098
62 HB3 PRO 7 HB3 PRO 7 -2.467 8.335 -0.500
63 HG3 PRO 7 HG3 PRO 7 -1.926 8.416 -2.759
64 HD3 PRO 7 HD3 PRO 7 -1.423 10.582 -2.154
65 HA PRO 8 HA PRO 8 2.423 6.569 2.216
66 HB3 PRO 8 HB3 PRO 8 1.155 5.739 3.943
67 HG3 PRO 8 HG3 PRO 8 -1.107 5.280 3.657
68 HD3 PRO 8 HD3 PRO 8 -1.027 7.421 2.807
69 H CYS 9 H CYS 9 0.071 4.814 0.204
70 HA CYS 9 HA CYS 9 1.861 2.822 -0.688
71 HB3 CYS 9 HB3 CYS 9 -0.335 3.647 -2.502
72 H GLU 10 H GLU 10 1.644 6.117 -1.424
73 HA GLU 10 HA GLU 10 2.803 5.859 -4.082
74 HB3 GLU 10 HB3 GLU 10 1.986 8.250 -2.431
75 HG3 GLU 10 HG3 GLU 10 3.871 8.905 -3.826
76 H ASP 11 H ASP 11 3.678 7.535 -1.056
77 HA ASP 11 HA ASP 11 6.254 8.265 -1.714
78 HB3 ASP 11 HB3 ASP 11 6.344 7.507 1.001
79 H VAL 12 H VAL 12 5.219 5.258 -0.113
80 HA VAL 12 HA VAL 12 7.878 4.135 -0.304
81 HB VAL 12 HB VAL 12 7.011 2.218 0.836
82 HG11 VAL 12 HG11 VAL 12 5.919 3.284 2.818
83 HG12 VAL 12 HG12 VAL 12 7.408 4.071 2.291
84 HG13 VAL 12 HG13 VAL 12 5.843 4.785 1.896
85 HG21 VAL 12 HG21 VAL 12 5.002 1.503 0.139
86 HG22 VAL 12 HG22 VAL 12 4.358 2.588 1.372
87 HG23 VAL 12 HG23 VAL 12 4.472 3.127 -0.303
88 H ASN 13 H ASN 13 5.172 4.349 -2.315
89 HA ASN 13 HA ASN 13 4.533 3.322 -4.247
90 HB3 ASN 13 HB3 ASN 13 6.400 2.603 -5.729
91 HD21 ASN 13 HD22 ASN 13 8.135 4.816 -3.742
92 HD22 ASN 13 HD21 ASN 13 7.769 6.245 -4.642
93 H GLY 14 H GLY 14 3.413 1.717 -2.876
94 HA2 GLY 14 HA2 GLY 14 4.702 -0.931 -2.916
95 HA3 GLY 14 HA3 GLY 14 3.351 -0.475 -1.889
96 H GLN 15 H GLN 15 2.920 -2.743 -3.044
97 HA GLN 15 HA GLN 15 1.243 -2.149 -5.393
98 HB3 GLN 15 HB3 GLN 15 1.692 -4.325 -6.269
99 HG3 GLN 15 HG3 GLN 15 4.430 -3.745 -5.300
100 HE21 GLN 15 HE22 GLN 15 5.952 -4.076 -6.931
101 HE22 GLN 15 HE21 GLN 15 5.563 -4.928 -8.383
102 H CYS 16 H CYS 16 -0.861 -2.618 -5.242
103 HA CYS 16 HA CYS 16 -2.004 -3.386 -2.776
104 HB3 CYS 16 HB3 CYS 16 -4.140 -3.453 -4.045
105 H GLN 17 H GLN 17 -1.541 -5.369 -2.003
106 HA GLN 17 HA GLN 17 -2.251 -7.668 -3.703
107 HB3 GLN 17 HB3 GLN 17 -0.447 -8.939 -2.845
108 HG3 GLN 17 HG3 GLN 17 1.061 -6.402 -2.929
109 HE21 GLN 17 HE22 GLN 17 1.976 -7.083 -5.587
110 HE22 GLN 17 HE21 GLN 17 2.984 -8.475 -5.419
111 HA PRO 18 HA PRO 18 -4.980 -8.976 -0.525
112 HB3 PRO 18 HB3 PRO 18 -5.646 -10.649 -1.950
113 HG3 PRO 18 HG3 PRO 18 -4.119 -11.721 -3.338
114 HD3 PRO 18 HD3 PRO 18 -3.610 -9.523 -3.810
115 H ARG 19 H ARG 19 -5.042 -10.913 1.218
116 HA ARG 19 HA ARG 19 -2.648 -10.496 2.847
117 HB3 ARG 19 HB3 ARG 19 -3.973 -11.059 4.736
118 HG3 ARG 19 HG3 ARG 19 -4.804 -9.008 3.045
119 HD3 ARG 19 HD3 ARG 19 -6.799 -10.392 2.531
120 HE ARG 19 HE ARG 19 -6.887 -10.959 5.234
121 HH11 ARG 19 HH11 ARG 19 -9.067 -9.751 2.803
122 HH12 ARG 19 HH12 ARG 19 -10.482 -10.404 3.561
123 HH21 ARG 19 HH22 ARG 19 -8.742 -11.824 6.242
124 HH22 ARG 19 HH21 ARG 19 -10.296 -11.582 5.517
125 H GLY 20 H GLY 20 -2.450 -12.303 0.667
126 HA2 GLY 20 HA2 GLY 20 -1.796 -14.738 2.165
127 HA3 GLY 20 HA3 GLY 20 -2.813 -14.890 0.739
128 H ASN 21 H ASN 21 0.083 -12.931 1.407
129 HA ASN 21 HA ASN 21 1.505 -14.410 -0.687
130 HB3 ASN 21 HB3 ASN 21 1.084 -12.662 -2.072
131 HD21 ASN 21 HD22 ASN 21 -0.659 -11.474 -2.265
132 HD22 ASN 21 HD21 ASN 21 -1.175 -10.232 -1.181
133 HA PRO 22 HA PRO 22 4.909 -14.280 2.087
134 HB3 PRO 22 HB3 PRO 22 5.960 -15.747 0.665
135 HG3 PRO 22 HG3 PRO 22 5.702 -15.575 -1.640
136 HD3 PRO 22 HD3 PRO 22 3.491 -15.510 -0.987
137 H CYS 23 H CYS 23 4.439 -11.809 -0.267
138 HA CYS 23 HA CYS 23 6.638 -10.153 0.214
139 HB3 CYS 23 HB3 CYS 23 4.842 -9.939 -1.597
140 H LEU 24 H LEU 24 5.873 -7.727 1.062
141 HA LEU 24 HA LEU 24 5.189 -8.200 3.884
142 HB3 LEU 24 HB3 LEU 24 6.475 -5.684 2.933
143 HG LEU 24 HG LEU 24 5.995 -6.748 5.486
144 HD11 LEU 24 HD11 LEU 24 8.958 -6.551 5.064
145 HD12 LEU 24 HD12 LEU 24 8.105 -8.090 4.955
146 HD13 LEU 24 HD13 LEU 24 8.076 -7.171 6.459
147 HD21 LEU 24 HD21 LEU 24 7.152 -4.365 4.245
148 HD22 LEU 24 HD22 LEU 24 7.759 -4.698 5.868
149 HD23 LEU 24 HD23 LEU 24 6.026 -4.512 5.596
150 H ARG 25 H ARG 25 4.240 -6.152 4.950
151 HA ARG 25 HA ARG 25 2.114 -5.112 3.194
152 HB3 ARG 25 HB3 ARG 25 1.334 -6.637 4.992
153 HG3 ARG 25 HG3 ARG 25 1.207 -5.442 7.297
154 HD3 ARG 25 HD3 ARG 25 3.815 -6.384 7.464
155 HE ARG 25 HE ARG 25 1.268 -7.355 8.200
156 HH11 ARG 25 HH11 ARG 25 4.529 -8.426 7.617
157 HH12 ARG 25 HH12 ARG 25 4.417 -9.777 8.695
158 HH21 ARG 25 HH22 ARG 25 1.109 -9.133 9.622
159 HH22 ARG 25 HH21 ARG 25 2.470 -10.179 9.835
160 H LEU 26 H LEU 26 1.303 -2.961 3.715
161 HA LEU 26 HA LEU 26 3.257 -1.261 5.105
162 HB3 LEU 26 HB3 LEU 26 2.548 0.448 3.234
163 HG LEU 26 HG LEU 26 4.731 -1.522 3.211
164 HD11 LEU 26 HD11 LEU 26 5.254 -0.351 0.841
165 HD12 LEU 26 HD12 LEU 26 3.505 -0.541 0.721
166 HD13 LEU 26 HD13 LEU 26 4.526 -1.950 1.011
167 HD21 LEU 26 HD21 LEU 26 4.359 1.432 3.049
168 HD22 LEU 26 HD22 LEU 26 5.877 0.721 2.499
169 HD23 LEU 26 HD23 LEU 26 5.342 0.477 4.162
170 H ARG 27 H ARG 27 0.333 -0.449 3.276
171 HA ARG 27 HA ARG 27 -1.251 -0.078 5.646
172 HB3 ARG 27 HB3 ARG 27 -1.610 2.425 4.912
173 HG3 ARG 27 HG3 ARG 27 -0.201 1.270 6.971
174 HD3 ARG 27 HD3 ARG 27 1.506 3.498 5.908
175 HE ARG 27 HE ARG 27 2.613 1.534 7.689
176 HH11 ARG 27 HH11 ARG 27 0.819 4.510 7.473
177 HH12 ARG 27 HH12 ARG 27 1.261 5.042 9.062
178 HH21 ARG 27 HH22 ARG 27 3.200 2.223 9.781
179 HH22 ARG 27 HH21 ARG 27 2.615 3.742 10.373
180 H GLY 28 H GLY 28 -3.265 1.458 4.819
181 HA2 GLY 28 HA2 GLY 28 -4.655 -0.179 2.993
182 HA3 GLY 28 HA3 GLY 28 -5.186 1.395 3.564
183 H ALA 29 H ALA 29 -5.227 3.033 2.157
184 HA ALA 29 HA ALA 29 -5.181 4.088 0.130
185 HB1 ALA 29 HB1 ALA 29 -2.372 3.273 0.677
186 HB2 ALA 29 HB2 ALA 29 -2.755 3.984 -0.891
187 HB3 ALA 29 HB3 ALA 29 -3.087 4.882 0.590
188 H CYS 30 H CYS 30 -5.982 1.267 0.108
189 HA CYS 30 HA CYS 30 -5.557 0.781 -2.748
190 HB3 CYS 30 HB3 CYS 30 -5.520 -1.767 -1.942
191 HA PRO 31 HA PRO 31 -9.831 -0.188 -2.890
192 HB3 PRO 31 HB3 PRO 31 -9.581 -0.572 -5.141
193 HG3 PRO 31 HG3 PRO 31 -7.685 -1.629 -5.974
194 HD3 PRO 31 HD3 PRO 31 -6.694 -0.023 -4.650
195 H ARG 32 H ARG 32 -11.466 -1.735 -2.336
196 HA ARG 32 HA ARG 32 -10.940 -3.277 -0.098
197 HB3 ARG 32 HB3 ARG 32 -13.163 -4.130 -0.300
198 HG3 ARG 32 HG3 ARG 32 -12.705 -1.444 -0.402
199 HD3 ARG 32 HD3 ARG 32 -14.240 -2.267 -2.801
200 HE ARG 32 HE ARG 32 -15.020 0.340 -1.965
201 HH11 ARG 32 HH11 ARG 32 -15.769 -3.042 -1.614
202 HH12 ARG 32 HH12 ARG 32 -17.438 -2.768 -1.237
203 HH21 ARG 32 HH22 ARG 32 -17.215 0.715 -1.470
204 HH22 ARG 32 HH21 ARG 32 -18.259 -0.631 -1.156
205 H GLY 33 H GLY 33 -10.660 -5.472 0.283
206 HA2 GLY 33 HA2 GLY 33 -10.208 -7.694 -0.212
207 HA3 GLY 33 HA3 GLY 33 -10.520 -7.348 -1.906
208 H SER 34 H SER 34 -8.431 -5.026 -0.980
209 HA SER 34 HA SER 34 -6.008 -6.632 -1.256
210 HB3 SER 34 HB3 SER 34 -5.158 -5.248 -3.093
211 HG SER 34 HG SER 34 -6.585 -7.138 -3.483
212 H ARG 35 H ARG 35 -4.101 -5.569 -0.582
213 HA ARG 35 HA ARG 35 -4.438 -2.940 0.668
214 HB3 ARG 35 HB3 ARG 35 -3.380 -3.677 2.726
215 HG3 ARG 35 HG3 ARG 35 -5.946 -4.496 1.956
216 HD3 ARG 35 HD3 ARG 35 -4.496 -6.793 2.336
217 HE ARG 35 HE ARG 35 -4.314 -6.983 4.614
218 HH11 ARG 35 HH11 ARG 35 -7.495 -5.826 3.798
219 HH12 ARG 35 HH12 ARG 35 -8.111 -5.992 5.409
220 HH21 ARG 35 HH22 ARG 35 -5.113 -7.207 6.739
221 HH22 ARG 35 HH21 ARG 35 -6.755 -6.778 7.081
222 H CYS 36 H CYS 36 -2.532 -1.738 0.887
223 HA CYS 36 HA CYS 36 -0.610 -2.090 -1.120
224 HB3 CYS 36 HB3 CYS 36 -0.032 -0.506 1.365
225 H CYS 37 H CYS 37 0.820 -3.683 -1.234
226 HA CYS 37 HA CYS 37 2.130 -4.578 1.250
227 HB3 CYS 37 HB3 CYS 37 0.891 -6.044 -0.906
228 H MET 38 H MET 38 4.325 -4.628 1.361
229 HA MET 38 HA MET 38 5.783 -3.061 -0.535
230 HB3 MET 38 HB3 MET 38 7.504 -4.536 1.236
231 HG3 MET 38 HG3 MET 38 7.447 -2.087 2.313
232 HE1 MET 38 HE1 MET 38 9.153 -0.540 2.039
233 HE2 MET 38 HE2 MET 38 10.346 -1.757 2.496
234 HE3 MET 38 HE3 MET 38 10.636 -0.717 1.101
235 HA PRO 39 HA PRO 39 6.886 -6.360 -3.273
236 HB3 PRO 39 HB3 PRO 39 7.037 -4.742 -4.899
237 HG3 PRO 39 HG3 PRO 39 7.716 -2.581 -4.380
238 HD3 PRO 39 HD3 PRO 39 6.094 -2.883 -2.770
239 H THR 40 H THR 40 9.118 -7.184 -4.195
240 HA THR 40 HA THR 40 10.860 -7.588 -1.862
241 HB THR 40 HB THR 40 11.514 -9.675 -2.760
242 HG1 THR 40 HG1 THR 40 10.440 -8.659 -5.173
243 HG21 THR 40 HG21 THR 40 8.807 -10.027 -3.755
244 HG22 THR 40 HG22 THR 40 8.848 -9.120 -2.244
245 HG23 THR 40 HG23 THR 40 9.584 -10.721 -2.333
246 H VAL 41 H VAL 41 11.021 -5.253 -3.601
247 HA VAL 41 HA VAL 41 13.187 -5.513 -5.412
248 HB VAL 41 HB VAL 41 13.279 -3.072 -5.401
249 HG11 VAL 41 HG11 VAL 41 10.371 -3.779 -5.323
250 HG12 VAL 41 HG12 VAL 41 11.227 -2.705 -6.430
251 HG13 VAL 41 HG13 VAL 41 11.431 -4.453 -6.560
252 HG21 VAL 41 HG21 VAL 41 12.179 -3.388 -2.792
253 HG22 VAL 41 HG22 VAL 41 12.760 -1.919 -3.576
254 HG23 VAL 41 HG23 VAL 41 11.075 -2.407 -3.756
255 H ALA 42 H ALA 42 15.223 -4.142 -5.110
256 HA ALA 42 HA ALA 42 16.430 -4.918 -2.558
257 HB1 ALA 42 HB1 ALA 42 18.126 -3.761 -4.676
258 HB2 ALA 42 HB2 ALA 42 18.390 -5.171 -3.648
259 HB3 ALA 42 HB3 ALA 42 17.341 -5.293 -5.061
260 H ALA 43 H ALA 43 16.169 -3.393 -1.043
261 HA ALA 43 HA ALA 43 17.332 -0.779 -1.505
262 HB1 ALA 43 HB1 ALA 43 15.488 0.500 -1.435
263 HB2 ALA 43 HB2 ALA 43 14.667 -0.967 -1.968
264 HB3 ALA 43 HB3 ALA 43 14.686 -0.539 -0.257
265 H HIS 44 H HIS 44 16.635 0.549 0.722
266 HA HIS 44 HA HIS 44 16.589 -1.007 3.092
267 HB3 HIS 44 HB3 HIS 44 19.173 0.324 3.159
268 HD1 HIS 44 HD1 HIS 44 17.912 -0.832 5.515
269 HD2 HIS 44 HD2 HIS 44 20.060 -3.211 2.872
270 HE1 HIS 44 HE1 HIS 44 18.567 -2.873 6.828
Start of MODEL 9
1 H1 ARG 1 H1 ARG 1 -6.893 4.995 -3.936
2 HA ARG 1 HA ARG 1 -8.726 6.000 -6.011
3 HB3 ARG 1 HB3 ARG 1 -9.822 7.390 -4.378
4 HG3 ARG 1 HG3 ARG 1 -9.576 4.758 -2.968
5 HD3 ARG 1 HD3 ARG 1 -12.113 6.202 -3.552
6 HE ARG 1 HE ARG 1 -12.682 4.471 -2.172
7 HH11 ARG 1 HH11 ARG 1 -9.782 5.974 -0.966
8 HH12 ARG 1 HH12 ARG 1 -9.761 5.056 0.502
9 HH21 ARG 1 HH22 ARG 1 -12.665 3.256 -0.241
10 HH22 ARG 1 HH21 ARG 1 -11.399 3.509 0.913
11 H ARG 2 H ARG 2 -6.297 6.312 -6.761
12 HA ARG 2 HA ARG 2 -4.648 7.773 -7.329
13 HB3 ARG 2 HB3 ARG 2 -5.232 10.148 -7.400
14 HG3 ARG 2 HG3 ARG 2 -7.132 8.119 -8.376
15 HD3 ARG 2 HD3 ARG 2 -8.337 10.263 -9.406
16 HE ARG 2 HE ARG 2 -9.158 8.384 -7.613
17 HH11 ARG 2 HH11 ARG 2 -9.729 11.794 -8.021
18 HH12 ARG 2 HH12 ARG 2 -11.317 11.743 -7.332
19 HH21 ARG 2 HH22 ARG 2 -11.248 8.304 -6.704
20 HH22 ARG 2 HH21 ARG 2 -12.180 9.758 -6.581
21 H ARG 3 H ARG 3 -3.606 10.032 -6.330
22 HA ARG 3 HA ARG 3 -2.517 9.137 -3.805
23 HB3 ARG 3 HB3 ARG 3 -0.889 10.882 -4.076
24 HG3 ARG 3 HG3 ARG 3 -1.499 9.795 -6.817
25 HD3 ARG 3 HD3 ARG 3 1.093 10.745 -5.602
26 HE ARG 3 HE ARG 3 1.939 9.514 -7.322
27 HH11 ARG 3 HH11 ARG 3 -1.057 10.952 -8.359
28 HH12 ARG 3 HH12 ARG 3 -0.912 10.390 -9.992
29 HH21 ARG 3 HH22 ARG 3 2.142 8.769 -9.469
30 HH22 ARG 3 HH21 ARG 3 0.907 9.148 -10.622
31 H ARG 4 H ARG 4 -4.250 9.391 -2.367
32 HA ARG 4 HA ARG 4 -5.671 11.833 -2.065
33 HB3 ARG 4 HB3 ARG 4 -6.128 10.692 0.286
34 HG3 ARG 4 HG3 ARG 4 -7.674 9.008 -0.951
35 HD3 ARG 4 HD3 ARG 4 -8.467 11.630 -1.903
36 HE ARG 4 HE ARG 4 -9.801 10.575 0.390
37 HH11 ARG 4 HH11 ARG 4 -9.333 10.151 -3.034
38 HH12 ARG 4 HH12 ARG 4 -10.853 9.355 -3.276
39 HH21 ARG 4 HH22 ARG 4 -11.804 9.528 0.084
40 HH22 ARG 4 HH21 ARG 4 -12.259 9.002 -1.501
41 H ARG 5 H ARG 5 -4.013 13.420 -1.935
42 HA ARG 5 HA ARG 5 -2.686 14.897 -0.827
43 HB3 ARG 5 HB3 ARG 5 -3.309 13.546 1.776
44 HG3 ARG 5 HG3 ARG 5 -2.633 16.280 0.881
45 HD3 ARG 5 HD3 ARG 5 -3.840 16.375 3.486
46 HE ARG 5 HE ARG 5 -3.702 18.043 1.223
47 HH11 ARG 5 HH11 ARG 5 -5.786 17.310 3.914
48 HH12 ARG 5 HH12 ARG 5 -6.486 18.894 3.971
49 HH21 ARG 5 HH22 ARG 5 -4.617 20.132 1.288
50 HH22 ARG 5 HH21 ARG 5 -5.821 20.497 2.477
51 H ARG 6 H ARG 6 -1.445 12.669 -1.911
52 HA ARG 6 HA ARG 6 0.553 11.583 -1.925
53 HB3 ARG 6 HB3 ARG 6 2.375 12.494 -0.654
54 HG3 ARG 6 HG3 ARG 6 0.502 14.776 -1.244
55 HD3 ARG 6 HD3 ARG 6 2.949 14.858 -0.024
56 HE ARG 6 HE ARG 6 4.510 14.661 -1.672
57 HH11 ARG 6 HH11 ARG 6 1.722 16.287 -2.978
58 HH12 ARG 6 HH12 ARG 6 2.460 16.598 -4.514
59 HH21 ARG 6 HH22 ARG 6 5.493 15.065 -3.689
60 HH22 ARG 6 HH21 ARG 6 4.605 15.902 -4.919
61 HA PRO 7 HA PRO 7 -0.986 8.832 1.477
62 HB3 PRO 7 HB3 PRO 7 -2.551 7.881 0.087
63 HG3 PRO 7 HG3 PRO 7 -2.294 7.938 -2.224
64 HD3 PRO 7 HD3 PRO 7 -1.944 10.162 -1.731
65 HA PRO 8 HA PRO 8 2.784 6.696 2.222
66 HB3 PRO 8 HB3 PRO 8 1.824 5.812 4.113
67 HG3 PRO 8 HG3 PRO 8 -0.398 5.126 4.122
68 HD3 PRO 8 HD3 PRO 8 -0.635 7.232 3.216
69 H CYS 9 H CYS 9 0.432 4.460 0.734
70 HA CYS 9 HA CYS 9 2.231 2.655 -0.354
71 HB3 CYS 9 HB3 CYS 9 -0.144 3.285 -2.005
72 H GLU 10 H GLU 10 1.385 5.851 -1.405
73 HA GLU 10 HA GLU 10 2.485 5.557 -4.049
74 HB3 GLU 10 HB3 GLU 10 1.690 8.032 -2.507
75 HG3 GLU 10 HG3 GLU 10 1.383 8.481 -5.235
76 H ASP 11 H ASP 11 3.454 7.316 -1.108
77 HA ASP 11 HA ASP 11 5.842 8.379 -1.975
78 HB3 ASP 11 HB3 ASP 11 6.319 7.532 0.667
79 H VAL 12 H VAL 12 5.355 5.203 -0.437
80 HA VAL 12 HA VAL 12 8.090 4.429 -0.982
81 HB VAL 12 HB VAL 12 7.589 2.369 0.146
82 HG11 VAL 12 HG11 VAL 12 8.008 4.159 1.649
83 HG12 VAL 12 HG12 VAL 12 6.366 4.780 1.469
84 HG13 VAL 12 HG13 VAL 12 6.646 3.253 2.305
85 HG21 VAL 12 HG21 VAL 12 4.929 2.618 0.998
86 HG22 VAL 12 HG22 VAL 12 4.916 2.924 -0.739
87 HG23 VAL 12 HG23 VAL 12 5.595 1.422 -0.114
88 H ASN 13 H ASN 13 5.160 4.377 -2.655
89 HA ASN 13 HA ASN 13 4.417 3.344 -4.546
90 HB3 ASN 13 HB3 ASN 13 6.131 2.935 -6.276
91 HD21 ASN 13 HD22 ASN 13 7.959 5.136 -4.368
92 HD22 ASN 13 HD21 ASN 13 7.369 6.591 -5.090
93 H GLY 14 H GLY 14 3.643 1.573 -3.152
94 HA2 GLY 14 HA2 GLY 14 5.208 -0.904 -3.467
95 HA3 GLY 14 HA3 GLY 14 3.970 -0.640 -2.248
96 H GLN 15 H GLN 15 3.045 -2.657 -2.950
97 HA GLN 15 HA GLN 15 1.519 -2.394 -5.457
98 HB3 GLN 15 HB3 GLN 15 1.466 -5.067 -4.959
99 HG3 GLN 15 HG3 GLN 15 3.642 -3.629 -6.462
100 HE21 GLN 15 HE22 GLN 15 2.155 -5.816 -8.337
101 HE22 GLN 15 HE21 GLN 15 3.214 -7.166 -8.139
102 H CYS 16 H CYS 16 -0.462 -3.966 -5.378
103 HA CYS 16 HA CYS 16 -1.795 -3.603 -2.774
104 HB3 CYS 16 HB3 CYS 16 -3.928 -3.451 -4.165
105 H GLN 17 H GLN 17 -1.268 -5.707 -2.101
106 HA GLN 17 HA GLN 17 -2.667 -7.845 -3.568
107 HB3 GLN 17 HB3 GLN 17 -0.925 -9.269 -3.281
108 HG3 GLN 17 HG3 GLN 17 0.751 -6.893 -2.567
109 HE21 GLN 17 HE22 GLN 17 2.616 -6.967 -4.295
110 HE22 GLN 17 HE21 GLN 17 3.382 -8.508 -4.438
111 HA PRO 18 HA PRO 18 -5.093 -8.727 -0.022
112 HB3 PRO 18 HB3 PRO 18 -6.064 -10.426 -1.227
113 HG3 PRO 18 HG3 PRO 18 -4.806 -11.744 -2.671
114 HD3 PRO 18 HD3 PRO 18 -4.152 -9.649 -3.374
115 H ARG 19 H ARG 19 -5.140 -10.513 1.875
116 HA ARG 19 HA ARG 19 -2.592 -10.166 3.248
117 HB3 ARG 19 HB3 ARG 19 -4.566 -9.486 4.467
118 HG3 ARG 19 HG3 ARG 19 -5.708 -12.073 5.022
119 HD3 ARG 19 HD3 ARG 19 -6.964 -9.633 3.780
120 HE ARG 19 HE ARG 19 -8.091 -12.035 4.751
121 HH11 ARG 19 HH11 ARG 19 -8.551 -8.585 4.810
122 HH12 ARG 19 HH12 ARG 19 -10.267 -8.686 5.025
123 HH21 ARG 19 HH22 ARG 19 -10.348 -12.181 5.035
124 HH22 ARG 19 HH21 ARG 19 -11.289 -10.733 5.155
125 H GLY 20 H GLY 20 -2.429 -12.015 1.205
126 HA2 GLY 20 HA2 GLY 20 -1.797 -14.420 2.732
127 HA3 GLY 20 HA3 GLY 20 -2.925 -14.608 1.399
128 H ASN 21 H ASN 21 -0.054 -12.541 1.595
129 HA ASN 21 HA ASN 21 1.176 -14.175 -0.523
130 HB3 ASN 21 HB3 ASN 21 0.840 -12.429 -1.904
131 HD21 ASN 21 HD22 ASN 21 -1.167 -11.624 -1.821
132 HD22 ASN 21 HD21 ASN 21 -1.648 -10.281 -0.848
133 HA PRO 22 HA PRO 22 4.818 -14.211 1.930
134 HB3 PRO 22 HB3 PRO 22 5.682 -15.694 0.404
135 HG3 PRO 22 HG3 PRO 22 5.230 -15.481 -1.868
136 HD3 PRO 22 HD3 PRO 22 3.090 -15.340 -1.022
137 H CYS 23 H CYS 23 4.248 -11.691 -0.352
138 HA CYS 23 HA CYS 23 6.550 -10.130 -0.021
139 HB3 CYS 23 HB3 CYS 23 4.670 -9.828 -1.719
140 H LEU 24 H LEU 24 5.831 -7.659 0.860
141 HA LEU 24 HA LEU 24 5.500 -8.126 3.738
142 HB3 LEU 24 HB3 LEU 24 6.272 -5.461 3.254
143 HG LEU 24 HG LEU 24 8.097 -7.730 4.042
144 HD11 LEU 24 HD11 LEU 24 8.942 -5.473 5.319
145 HD12 LEU 24 HD12 LEU 24 8.434 -4.840 3.754
146 HD13 LEU 24 HD13 LEU 24 9.640 -6.123 3.835
147 HD21 LEU 24 HD21 LEU 24 6.213 -7.678 5.536
148 HD22 LEU 24 HD22 LEU 24 6.347 -5.928 5.710
149 HD23 LEU 24 HD23 LEU 24 7.610 -6.978 6.355
150 H ARG 25 H ARG 25 4.610 -5.992 4.845
151 HA ARG 25 HA ARG 25 2.167 -5.208 3.396
152 HB3 ARG 25 HB3 ARG 25 1.739 -6.814 5.254
153 HG3 ARG 25 HG3 ARG 25 1.753 -5.709 7.571
154 HD3 ARG 25 HD3 ARG 25 4.523 -6.182 7.265
155 HE ARG 25 HE ARG 25 2.319 -7.534 8.502
156 HH11 ARG 25 HH11 ARG 25 5.679 -7.788 7.623
157 HH12 ARG 25 HH12 ARG 25 6.046 -8.955 8.849
158 HH21 ARG 25 HH22 ARG 25 2.790 -9.070 10.121
159 HH22 ARG 25 HH21 ARG 25 4.403 -9.684 10.270
160 H LEU 26 H LEU 26 1.267 -3.128 3.999
161 HA LEU 26 HA LEU 26 3.186 -1.294 5.253
162 HB3 LEU 26 HB3 LEU 26 2.247 0.363 3.435
163 HG LEU 26 HG LEU 26 4.591 -1.364 3.369
164 HD11 LEU 26 HD11 LEU 26 5.015 -1.529 1.143
165 HD12 LEU 26 HD12 LEU 26 4.026 -0.127 0.733
166 HD13 LEU 26 HD13 LEU 26 3.257 -1.672 1.098
167 HD21 LEU 26 HD21 LEU 26 5.615 0.765 2.582
168 HD22 LEU 26 HD22 LEU 26 4.724 0.916 4.097
169 HD23 LEU 26 HD23 LEU 26 4.006 1.491 2.592
170 H ARG 27 H ARG 27 0.052 -0.839 3.634
171 HA ARG 27 HA ARG 27 -1.335 -0.463 6.127
172 HB3 ARG 27 HB3 ARG 27 -2.047 1.921 5.251
173 HG3 ARG 27 HG3 ARG 27 -0.383 1.102 7.264
174 HD3 ARG 27 HD3 ARG 27 1.050 3.376 5.951
175 HE ARG 27 HE ARG 27 1.409 2.076 8.368
176 HH11 ARG 27 HH11 ARG 27 3.318 2.866 5.565
177 HH12 ARG 27 HH12 ARG 27 4.806 2.971 6.446
178 HH21 ARG 27 HH22 ARG 27 3.363 2.210 9.538
179 HH22 ARG 27 HH21 ARG 27 4.831 2.595 8.705
180 H GLY 28 H GLY 28 -3.575 0.802 5.388
181 HA2 GLY 28 HA2 GLY 28 -4.724 -1.070 3.478
182 HA3 GLY 28 HA3 GLY 28 -5.610 0.037 4.518
183 H ALA 29 H ALA 29 -2.963 1.248 2.649
184 HA ALA 29 HA ALA 29 -4.698 3.064 1.261
185 HB1 ALA 29 HB1 ALA 29 -2.725 4.108 1.746
186 HB2 ALA 29 HB2 ALA 29 -1.758 2.661 1.460
187 HB3 ALA 29 HB3 ALA 29 -2.391 3.582 0.095
188 H CYS 30 H CYS 30 -5.759 0.896 0.398
189 HA CYS 30 HA CYS 30 -5.019 0.761 -2.396
190 HB3 CYS 30 HB3 CYS 30 -5.263 -1.885 -2.083
191 HA PRO 31 HA PRO 31 -9.327 0.236 -3.028
192 HB3 PRO 31 HB3 PRO 31 -8.910 0.219 -5.287
193 HG3 PRO 31 HG3 PRO 31 -7.040 -0.859 -6.153
194 HD3 PRO 31 HD3 PRO 31 -6.042 0.395 -4.497
195 H ARG 32 H ARG 32 -11.108 -1.138 -2.710
196 HA ARG 32 HA ARG 32 -10.898 -3.112 -0.811
197 HB3 ARG 32 HB3 ARG 32 -13.024 -2.106 -1.273
198 HG3 ARG 32 HG3 ARG 32 -14.134 -3.262 -3.472
199 HD3 ARG 32 HD3 ARG 32 -12.767 -0.680 -3.926
200 HE ARG 32 HE ARG 32 -15.268 -1.827 -4.631
201 HH11 ARG 32 HH11 ARG 32 -13.707 1.204 -3.929
202 HH12 ARG 32 HH12 ARG 32 -14.805 2.142 -4.887
203 HH21 ARG 32 HH22 ARG 32 -16.723 -0.603 -5.894
204 HH22 ARG 32 HH21 ARG 32 -16.521 1.113 -6.003
205 H GLY 33 H GLY 33 -10.475 -5.251 -0.775
206 HA2 GLY 33 HA2 GLY 33 -10.548 -7.435 -1.811
207 HA3 GLY 33 HA3 GLY 33 -10.252 -6.655 -3.359
208 H SER 34 H SER 34 -8.221 -4.937 -1.755
209 HA SER 34 HA SER 34 -6.119 -6.888 -1.282
210 HB3 SER 34 HB3 SER 34 -5.164 -6.664 -3.298
211 HG SER 34 HG SER 34 -6.900 -4.479 -3.820
212 H ARG 35 H ARG 35 -4.007 -5.648 -0.720
213 HA ARG 35 HA ARG 35 -4.588 -3.121 0.641
214 HB3 ARG 35 HB3 ARG 35 -4.898 -4.932 2.293
215 HG3 ARG 35 HG3 ARG 35 -2.277 -5.789 1.284
216 HD3 ARG 35 HD3 ARG 35 -2.062 -4.809 3.736
217 HE ARG 35 HE ARG 35 -3.643 -7.161 4.188
218 HH11 ARG 35 HH11 ARG 35 -1.163 -5.097 5.491
219 HH12 ARG 35 HH12 ARG 35 -1.483 -5.533 7.138
220 HH21 ARG 35 HH22 ARG 35 -4.074 -7.744 6.351
221 HH22 ARG 35 HH21 ARG 35 -3.139 -7.038 7.625
222 H CYS 36 H CYS 36 -2.672 -1.915 1.232
223 HA CYS 36 HA CYS 36 -0.712 -1.924 -0.800
224 HB3 CYS 36 HB3 CYS 36 -0.623 -0.546 1.891
225 H CYS 37 H CYS 37 0.697 -3.546 -1.010
226 HA CYS 37 HA CYS 37 2.070 -4.520 1.407
227 HB3 CYS 37 HB3 CYS 37 0.851 -5.907 -0.821
228 H MET 38 H MET 38 4.294 -4.688 1.420
229 HA MET 38 HA MET 38 5.690 -2.914 -0.348
230 HB3 MET 38 HB3 MET 38 7.322 -4.671 1.342
231 HG3 MET 38 HG3 MET 38 7.735 -2.238 2.330
232 HE1 MET 38 HE1 MET 38 9.855 -1.432 -1.205
233 HE2 MET 38 HE2 MET 38 8.643 -0.682 -0.166
234 HE3 MET 38 HE3 MET 38 10.318 -0.793 0.373
235 HA PRO 39 HA PRO 39 6.728 -5.924 -3.421
236 HB3 PRO 39 HB3 PRO 39 6.859 -4.154 -4.877
237 HG3 PRO 39 HG3 PRO 39 7.567 -2.058 -4.159
238 HD3 PRO 39 HD3 PRO 39 5.973 -2.511 -2.556
239 H THR 40 H THR 40 8.968 -6.612 -4.482
240 HA THR 40 HA THR 40 10.830 -7.128 -2.254
241 HB THR 40 HB THR 40 10.584 -8.928 -4.649
242 HG1 THR 40 HG1 THR 40 9.142 -9.222 -2.208
243 HG21 THR 40 HG21 THR 40 12.257 -8.855 -2.400
244 HG22 THR 40 HG22 THR 40 12.104 -10.160 -3.577
245 HG23 THR 40 HG23 THR 40 11.124 -10.175 -2.109
246 H VAL 41 H VAL 41 11.177 -4.825 -3.700
247 HA VAL 41 HA VAL 41 13.228 -5.373 -5.708
248 HB VAL 41 HB VAL 41 13.151 -3.011 -6.235
249 HG11 VAL 41 HG11 VAL 41 10.259 -3.523 -5.992
250 HG12 VAL 41 HG12 VAL 41 11.230 -3.136 -7.414
251 HG13 VAL 41 HG13 VAL 41 11.202 -4.785 -6.786
252 HG21 VAL 41 HG21 VAL 41 12.701 -1.568 -4.598
253 HG22 VAL 41 HG22 VAL 41 11.000 -1.990 -4.794
254 HG23 VAL 41 HG23 VAL 41 11.985 -2.830 -3.596
255 H ALA 42 H ALA 42 15.079 -3.621 -5.610
256 HA ALA 42 HA ALA 42 16.166 -3.688 -2.871
257 HB1 ALA 42 HB1 ALA 42 18.336 -4.004 -3.739
258 HB2 ALA 42 HB2 ALA 42 17.297 -5.124 -4.623
259 HB3 ALA 42 HB3 ALA 42 17.819 -3.619 -5.381
260 H ALA 43 H ALA 43 16.265 -1.855 -5.922
261 HA ALA 43 HA ALA 43 16.618 0.351 -6.368
262 HB1 ALA 43 HB1 ALA 43 14.503 0.571 -5.190
263 HB2 ALA 43 HB2 ALA 43 15.354 0.669 -3.647
264 HB3 ALA 43 HB3 ALA 43 15.548 1.949 -4.844
265 H HIS 44 H HIS 44 18.911 0.133 -6.336
266 HA HIS 44 HA HIS 44 20.158 1.773 -4.296
267 HB3 HIS 44 HB3 HIS 44 22.026 0.008 -4.084
268 HD1 HIS 44 HD1 HIS 44 19.290 -2.148 -3.050
269 HD2 HIS 44 HD2 HIS 44 21.165 1.253 -1.573
270 HE1 HIS 44 HE1 HIS 44 18.633 -2.017 -0.626
Start of MODEL 10
1 H1 ARG 1 H1 ARG 1 -7.609 10.623 -6.428
2 HA ARG 1 HA ARG 1 -8.272 8.788 -4.715
3 HB3 ARG 1 HB3 ARG 1 -8.865 6.688 -5.713
4 HG3 ARG 1 HG3 ARG 1 -10.573 8.832 -5.807
5 HD3 ARG 1 HD3 ARG 1 -9.923 8.459 -8.437
6 HE ARG 1 HE ARG 1 -11.141 6.687 -9.183
7 HH11 ARG 1 HH11 ARG 1 -12.948 8.287 -6.675
8 HH12 ARG 1 HH12 ARG 1 -14.346 7.279 -6.858
9 HH21 ARG 1 HH22 ARG 1 -12.974 5.353 -9.434
10 HH22 ARG 1 HH21 ARG 1 -14.359 5.611 -8.427
11 H ARG 2 H ARG 2 -6.701 8.402 -7.894
12 HA ARG 2 HA ARG 2 -4.464 7.006 -6.757
13 HB3 ARG 2 HB3 ARG 2 -3.624 7.711 -9.245
14 HG3 ARG 2 HG3 ARG 2 -5.653 5.538 -9.091
15 HD3 ARG 2 HD3 ARG 2 -2.942 5.908 -10.338
16 HE ARG 2 HE ARG 2 -3.779 3.473 -9.469
17 HH11 ARG 2 HH11 ARG 2 -3.319 4.907 -12.608
18 HH12 ARG 2 HH12 ARG 2 -2.923 3.407 -13.378
19 HH21 ARG 2 HH22 ARG 2 -3.259 1.492 -10.473
20 HH22 ARG 2 HH21 ARG 2 -2.891 1.466 -12.164
21 H ARG 3 H ARG 3 -3.271 8.208 -5.373
22 HA ARG 3 HA ARG 3 -1.770 9.752 -4.647
23 HB3 ARG 3 HB3 ARG 3 -1.439 10.699 -7.480
24 HG3 ARG 3 HG3 ARG 3 0.786 10.096 -5.600
25 HD3 ARG 3 HD3 ARG 3 0.712 10.987 -8.155
26 HE ARG 3 HE ARG 3 0.039 13.285 -6.737
27 HH11 ARG 3 HH11 ARG 3 2.471 12.224 -8.994
28 HH12 ARG 3 HH12 ARG 3 2.713 13.800 -9.673
29 HH21 ARG 3 HH22 ARG 3 0.352 15.364 -7.623
30 HH22 ARG 3 HH21 ARG 3 1.509 15.585 -8.891
31 H ARG 4 H ARG 4 -3.662 10.803 -3.691
32 HA ARG 4 HA ARG 4 -4.283 13.378 -4.978
33 HB3 ARG 4 HB3 ARG 4 -6.072 12.586 -2.815
34 HG3 ARG 4 HG3 ARG 4 -6.424 13.397 -5.680
35 HD3 ARG 4 HD3 ARG 4 -8.139 11.669 -4.561
36 HE ARG 4 HE ARG 4 -8.752 14.130 -3.229
37 HH11 ARG 4 HH11 ARG 4 -10.106 11.220 -4.579
38 HH12 ARG 4 HH12 ARG 4 -11.516 11.255 -3.573
39 HH21 ARG 4 HH22 ARG 4 -10.605 14.186 -1.901
40 HH22 ARG 4 HH21 ARG 4 -11.800 12.944 -2.051
41 H ARG 5 H ARG 5 -4.253 11.970 -1.697
42 HA ARG 5 HA ARG 5 -3.247 14.531 -0.681
43 HB3 ARG 5 HB3 ARG 5 -3.768 13.315 1.576
44 HG3 ARG 5 HG3 ARG 5 -6.285 13.769 1.234
45 HD3 ARG 5 HD3 ARG 5 -5.556 16.334 0.825
46 HE ARG 5 HE ARG 5 -5.768 14.724 3.162
47 HH11 ARG 5 HH11 ARG 5 -4.724 17.840 2.010
48 HH12 ARG 5 HH12 ARG 5 -4.970 18.630 3.532
49 HH21 ARG 5 HH22 ARG 5 -6.095 15.754 5.171
50 HH22 ARG 5 HH21 ARG 5 -5.748 17.441 5.329
51 H ARG 6 H ARG 6 -1.576 12.574 -2.099
52 HA ARG 6 HA ARG 6 0.448 11.545 -1.938
53 HB3 ARG 6 HB3 ARG 6 1.903 12.556 -0.008
54 HG3 ARG 6 HG3 ARG 6 1.232 14.859 -1.597
55 HD3 ARG 6 HD3 ARG 6 3.577 13.017 -1.940
56 HE ARG 6 HE ARG 6 3.077 15.461 -3.046
57 HH11 ARG 6 HH11 ARG 6 5.480 14.187 -0.872
58 HH12 ARG 6 HH12 ARG 6 6.720 15.278 -1.395
59 HH21 ARG 6 HH22 ARG 6 4.703 16.902 -3.743
60 HH22 ARG 6 HH21 ARG 6 6.276 16.823 -3.028
61 HA PRO 7 HA PRO 7 -1.095 8.757 1.470
62 HB3 PRO 7 HB3 PRO 7 -2.650 7.764 0.103
63 HG3 PRO 7 HG3 PRO 7 -2.422 7.815 -2.211
64 HD3 PRO 7 HD3 PRO 7 -2.117 10.050 -1.733
65 HA PRO 8 HA PRO 8 2.730 6.710 2.184
66 HB3 PRO 8 HB3 PRO 8 1.810 5.810 4.088
67 HG3 PRO 8 HG3 PRO 8 -0.394 5.074 4.121
68 HD3 PRO 8 HD3 PRO 8 -0.692 7.170 3.210
69 H CYS 9 H CYS 9 0.413 4.425 0.717
70 HA CYS 9 HA CYS 9 2.226 2.641 -0.372
71 HB3 CYS 9 HB3 CYS 9 -0.137 3.254 -2.044
72 H GLU 10 H GLU 10 1.361 5.833 -1.429
73 HA GLU 10 HA GLU 10 2.490 5.545 -4.063
74 HB3 GLU 10 HB3 GLU 10 2.294 8.190 -3.831
75 HG3 GLU 10 HG3 GLU 10 -0.219 7.963 -4.277
76 H ASP 11 H ASP 11 3.404 7.311 -1.109
77 HA ASP 11 HA ASP 11 5.781 8.416 -1.947
78 HB3 ASP 11 HB3 ASP 11 6.246 7.557 0.695
79 H VAL 12 H VAL 12 5.311 5.210 -0.477
80 HA VAL 12 HA VAL 12 8.070 4.489 -1.011
81 HB VAL 12 HB VAL 12 7.613 2.427 0.132
82 HG11 VAL 12 HG11 VAL 12 8.023 4.226 1.622
83 HG12 VAL 12 HG12 VAL 12 6.373 4.829 1.455
84 HG13 VAL 12 HG13 VAL 12 6.677 3.309 2.298
85 HG21 VAL 12 HG21 VAL 12 4.969 2.618 1.023
86 HG22 VAL 12 HG22 VAL 12 4.911 2.955 -0.709
87 HG23 VAL 12 HG23 VAL 12 5.629 1.453 -0.126
88 H ASN 13 H ASN 13 5.137 4.397 -2.666
89 HA ASN 13 HA ASN 13 4.393 3.342 -4.545
90 HB3 ASN 13 HB3 ASN 13 6.122 2.909 -6.271
91 HD21 ASN 13 HD22 ASN 13 7.924 5.212 -4.491
92 HD22 ASN 13 HD21 ASN 13 7.268 6.629 -5.230
93 H GLY 14 H GLY 14 3.612 1.571 -3.185
94 HA2 GLY 14 HA2 GLY 14 5.202 -0.896 -3.475
95 HA3 GLY 14 HA3 GLY 14 3.970 -0.634 -2.250
96 H GLN 15 H GLN 15 3.079 -2.675 -2.956
97 HA GLN 15 HA GLN 15 1.546 -2.439 -5.461
98 HB3 GLN 15 HB3 GLN 15 1.479 -4.978 -5.360
99 HG3 GLN 15 HG3 GLN 15 3.952 -5.242 -5.989
100 HE21 GLN 15 HE22 GLN 15 3.079 -2.174 -7.294
101 HE22 GLN 15 HE21 GLN 15 2.421 -2.753 -8.784
102 H CYS 16 H CYS 16 -0.442 -3.993 -5.371
103 HA CYS 16 HA CYS 16 -1.781 -3.607 -2.774
104 HB3 CYS 16 HB3 CYS 16 -3.909 -3.444 -4.185
105 H GLN 17 H GLN 17 -1.275 -5.716 -2.102
106 HA GLN 17 HA GLN 17 -2.710 -7.836 -3.561
107 HB3 GLN 17 HB3 GLN 17 -0.988 -9.290 -3.289
108 HG3 GLN 17 HG3 GLN 17 0.811 -7.012 -2.623
109 HE21 GLN 17 HE22 GLN 17 1.317 -9.688 -2.253
110 HE22 GLN 17 HE21 GLN 17 2.437 -10.233 -3.451
111 HA PRO 18 HA PRO 18 -5.086 -8.703 0.022
112 HB3 PRO 18 HB3 PRO 18 -6.100 -10.383 -1.173
113 HG3 PRO 18 HG3 PRO 18 -4.884 -11.709 -2.645
114 HD3 PRO 18 HD3 PRO 18 -4.214 -9.620 -3.350
115 H ARG 19 H ARG 19 -5.125 -10.486 1.915
116 HA ARG 19 HA ARG 19 -2.550 -10.180 3.245
117 HB3 ARG 19 HB3 ARG 19 -4.474 -9.488 4.517
118 HG3 ARG 19 HG3 ARG 19 -5.815 -11.824 5.216
119 HD3 ARG 19 HD3 ARG 19 -6.855 -9.864 3.201
120 HE ARG 19 HE ARG 19 -8.094 -11.706 4.936
121 HH11 ARG 19 HH11 ARG 19 -8.410 -8.438 3.779
122 HH12 ARG 19 HH12 ARG 19 -10.128 -8.391 3.987
123 HH21 ARG 19 HH22 ARG 19 -10.358 -11.657 5.214
124 HH22 ARG 19 HH21 ARG 19 -11.236 -10.223 4.803
125 H GLY 20 H GLY 20 -2.404 -12.010 1.201
126 HA2 GLY 20 HA2 GLY 20 -1.807 -14.440 2.704
127 HA3 GLY 20 HA3 GLY 20 -2.926 -14.598 1.359
128 H ASN 21 H ASN 21 -0.061 -12.532 1.566
129 HA ASN 21 HA ASN 21 1.185 -14.170 -0.539
130 HB3 ASN 21 HB3 ASN 21 0.861 -12.424 -1.922
131 HD21 ASN 21 HD22 ASN 21 -1.156 -11.636 -1.842
132 HD22 ASN 21 HD21 ASN 21 -1.645 -10.290 -0.876
133 HA PRO 22 HA PRO 22 4.811 -14.213 1.936
134 HB3 PRO 22 HB3 PRO 22 5.680 -15.701 0.416
135 HG3 PRO 22 HG3 PRO 22 5.241 -15.489 -1.857
136 HD3 PRO 22 HD3 PRO 22 3.096 -15.342 -1.024
137 H CYS 23 H CYS 23 4.255 -11.693 -0.348
138 HA CYS 23 HA CYS 23 6.559 -10.138 -0.012
139 HB3 CYS 23 HB3 CYS 23 4.684 -9.831 -1.714
140 H LEU 24 H LEU 24 5.839 -7.663 0.868
141 HA LEU 24 HA LEU 24 5.504 -8.130 3.745
142 HB3 LEU 24 HB3 LEU 24 6.276 -5.465 3.262
143 HG LEU 24 HG LEU 24 8.100 -7.735 4.053
144 HD11 LEU 24 HD11 LEU 24 8.952 -5.485 5.329
145 HD12 LEU 24 HD12 LEU 24 8.436 -4.842 3.772
146 HD13 LEU 24 HD13 LEU 24 9.641 -6.127 3.839
147 HD21 LEU 24 HD21 LEU 24 7.609 -6.983 6.364
148 HD22 LEU 24 HD22 LEU 24 6.214 -7.682 5.544
149 HD23 LEU 24 HD23 LEU 24 6.349 -5.931 5.719
150 H ARG 25 H ARG 25 4.613 -5.997 4.850
151 HA ARG 25 HA ARG 25 2.172 -5.212 3.399
152 HB3 ARG 25 HB3 ARG 25 1.744 -6.819 5.256
153 HG3 ARG 25 HG3 ARG 25 1.748 -5.712 7.572
154 HD3 ARG 25 HD3 ARG 25 4.523 -6.173 7.271
155 HE ARG 25 HE ARG 25 2.931 -8.439 7.994
156 HH11 ARG 25 HH11 ARG 25 4.034 -5.306 9.039
157 HH12 ARG 25 HH12 ARG 25 3.869 -5.665 10.725
158 HH21 ARG 25 HH22 ARG 25 2.709 -8.924 10.212
159 HH22 ARG 25 HH21 ARG 25 3.116 -7.724 11.392
160 H LEU 26 H LEU 26 1.274 -3.133 3.991
161 HA LEU 26 HA LEU 26 3.191 -1.297 5.249
162 HB3 LEU 26 HB3 LEU 26 2.248 0.359 3.431
163 HG LEU 26 HG LEU 26 4.595 -1.364 3.364
164 HD11 LEU 26 HD11 LEU 26 4.052 -0.127 0.730
165 HD12 LEU 26 HD12 LEU 26 3.247 -1.653 1.087
166 HD13 LEU 26 HD13 LEU 26 5.006 -1.552 1.142
167 HD21 LEU 26 HD21 LEU 26 4.004 1.489 2.593
168 HD22 LEU 26 HD22 LEU 26 5.614 0.767 2.573
169 HD23 LEU 26 HD23 LEU 26 4.730 0.913 4.093
170 H ARG 27 H ARG 27 0.057 -0.839 3.633
171 HA ARG 27 HA ARG 27 -1.330 -0.468 6.126
172 HB3 ARG 27 HB3 ARG 27 -2.040 1.919 5.253
173 HG3 ARG 27 HG3 ARG 27 -0.377 1.095 7.265
174 HD3 ARG 27 HD3 ARG 27 1.057 3.371 5.959
175 HE ARG 27 HE ARG 27 1.428 2.007 8.360
176 HH11 ARG 27 HH11 ARG 27 3.295 3.017 5.601
177 HH12 ARG 27 HH12 ARG 27 4.773 3.166 6.492
178 HH21 ARG 27 HH22 ARG 27 3.367 2.200 9.544
179 HH22 ARG 27 HH21 ARG 27 4.813 2.701 8.735
180 H GLY 28 H GLY 28 -3.568 0.800 5.390
181 HA2 GLY 28 HA2 GLY 28 -4.722 -1.068 3.481
182 HA3 GLY 28 HA3 GLY 28 -5.604 0.040 4.519
183 H ALA 29 H ALA 29 -2.956 1.249 2.653
184 HA ALA 29 HA ALA 29 -4.689 3.066 1.263
185 HB1 ALA 29 HB1 ALA 29 -2.400 3.613 0.106
186 HB2 ALA 29 HB2 ALA 29 -2.703 4.091 1.778
187 HB3 ALA 29 HB3 ALA 29 -1.743 2.652 1.431
188 H CYS 30 H CYS 30 -5.748 0.898 0.398
189 HA CYS 30 HA CYS 30 -4.997 0.759 -2.395
190 HB3 CYS 30 HB3 CYS 30 -5.258 -1.885 -2.082
191 HA PRO 31 HA PRO 31 -9.305 0.258 -3.047
192 HB3 PRO 31 HB3 PRO 31 -8.876 0.238 -5.304
193 HG3 PRO 31 HG3 PRO 31 -7.008 -0.851 -6.161
194 HD3 PRO 31 HD3 PRO 31 -6.013 0.399 -4.499
195 H ARG 32 H ARG 32 -11.094 -1.101 -2.727
196 HA ARG 32 HA ARG 32 -10.899 -3.081 -0.832
197 HB3 ARG 32 HB3 ARG 32 -13.016 -2.047 -1.301
198 HG3 ARG 32 HG3 ARG 32 -14.123 -3.241 -3.496
199 HD3 ARG 32 HD3 ARG 32 -12.754 -0.596 -3.758
200 HE ARG 32 HE ARG 32 -14.298 -0.588 -5.435
201 HH11 ARG 32 HH11 ARG 32 -15.725 -2.047 -2.615
202 HH12 ARG 32 HH12 ARG 32 -17.303 -2.176 -3.321
203 HH21 ARG 32 HH22 ARG 32 -16.369 -0.752 -6.374
204 HH22 ARG 32 HH21 ARG 32 -17.668 -1.440 -5.459
205 H GLY 33 H GLY 33 -10.461 -5.211 -0.800
206 HA2 GLY 33 HA2 GLY 33 -10.585 -7.395 -1.861
207 HA3 GLY 33 HA3 GLY 33 -10.232 -6.605 -3.392
208 H SER 34 H SER 34 -8.202 -4.930 -1.784
209 HA SER 34 HA SER 34 -6.155 -6.922 -1.236
210 HB3 SER 34 HB3 SER 34 -4.549 -5.980 -2.808
211 HG SER 34 HG SER 34 -5.410 -7.353 -4.132
212 H ARG 35 H ARG 35 -4.000 -5.643 -0.735
213 HA ARG 35 HA ARG 35 -4.584 -3.131 0.644
214 HB3 ARG 35 HB3 ARG 35 -4.890 -4.952 2.292
215 HG3 ARG 35 HG3 ARG 35 -2.069 -5.609 1.540
216 HD3 ARG 35 HD3 ARG 35 -2.123 -5.206 3.971
217 HE ARG 35 HE ARG 35 -4.592 -6.524 3.930
218 HH11 ARG 35 HH11 ARG 35 -1.648 -6.445 5.786
219 HH12 ARG 35 HH12 ARG 35 -2.415 -6.910 7.268
220 HH21 ARG 35 HH22 ARG 35 -5.615 -7.137 5.875
221 HH22 ARG 35 HH21 ARG 35 -4.672 -7.305 7.317
222 H CYS 36 H CYS 36 -2.666 -1.926 1.235
223 HA CYS 36 HA CYS 36 -0.710 -1.940 -0.801
224 HB3 CYS 36 HB3 CYS 36 -0.618 -0.554 1.887
225 H CYS 37 H CYS 37 0.704 -3.555 -1.010
226 HA CYS 37 HA CYS 37 2.074 -4.530 1.409
227 HB3 CYS 37 HB3 CYS 37 0.863 -5.916 -0.825
228 H MET 38 H MET 38 4.299 -4.694 1.425
229 HA MET 38 HA MET 38 5.695 -2.914 -0.338
230 HB3 MET 38 HB3 MET 38 7.327 -4.672 1.357
231 HG3 MET 38 HG3 MET 38 7.742 -2.244 2.347
232 HE1 MET 38 HE1 MET 38 10.889 -1.231 0.300
233 HE2 MET 38 HE2 MET 38 9.383 -0.746 -0.479
234 HE3 MET 38 HE3 MET 38 9.545 -0.631 1.273
235 HA PRO 39 HA PRO 39 6.742 -5.925 -3.409
236 HB3 PRO 39 HB3 PRO 39 6.861 -4.155 -4.868
237 HG3 PRO 39 HG3 PRO 39 7.556 -2.054 -4.153
238 HD3 PRO 39 HD3 PRO 39 5.968 -2.515 -2.547
239 H THR 40 H THR 40 8.935 -6.678 -4.445
240 HA THR 40 HA THR 40 10.862 -7.085 -2.250
241 HB THR 40 HB THR 40 9.629 -9.147 -2.805
242 HG1 THR 40 HG1 THR 40 11.715 -9.474 -2.096
243 HG21 THR 40 HG21 THR 40 10.940 -9.670 -5.335
244 HG22 THR 40 HG22 THR 40 9.877 -8.266 -5.434
245 HG23 THR 40 HG23 THR 40 9.238 -9.821 -4.899
246 H VAL 41 H VAL 41 11.053 -4.919 -4.040
247 HA VAL 41 HA VAL 41 12.986 -5.610 -6.081
248 HB VAL 41 HB VAL 41 13.013 -3.248 -6.631
249 HG11 VAL 41 HG11 VAL 41 10.927 -3.163 -7.570
250 HG12 VAL 41 HG12 VAL 41 11.003 -4.871 -7.136
251 HG13 VAL 41 HG13 VAL 41 10.123 -3.737 -6.111
252 HG21 VAL 41 HG21 VAL 41 11.189 -1.907 -5.196
253 HG22 VAL 41 HG22 VAL 41 11.791 -3.003 -3.951
254 HG23 VAL 41 HG23 VAL 41 12.906 -1.926 -4.793
255 H ALA 42 H ALA 42 15.058 -4.371 -6.211
256 HA ALA 42 HA ALA 42 16.288 -4.200 -3.538
257 HB1 ALA 42 HB1 ALA 42 17.241 -5.300 -6.119
258 HB2 ALA 42 HB2 ALA 42 18.429 -4.509 -5.085
259 HB3 ALA 42 HB3 ALA 42 17.501 -5.878 -4.474
260 H ALA 43 H ALA 43 15.755 -1.992 -3.274
261 HA ALA 43 HA ALA 43 17.480 -0.194 -4.832
262 HB1 ALA 43 HB1 ALA 43 14.708 -0.236 -5.040
263 HB2 ALA 43 HB2 ALA 43 15.058 1.134 -3.987
264 HB3 ALA 43 HB3 ALA 43 15.793 1.042 -5.587
265 H HIS 44 H HIS 44 17.007 2.159 -3.582
266 HA HIS 44 HA HIS 44 17.557 3.400 -1.756
267 HB3 HIS 44 HB3 HIS 44 17.065 1.864 0.485
268 HD1 HIS 44 HD1 HIS 44 16.521 4.152 1.434
269 HD2 HIS 44 HD2 HIS 44 13.987 3.023 -1.658
270 HE1 HIS 44 HE1 HIS 44 14.662 5.845 1.438
Start of MODEL 11
1 H1 ARG 1 H1 ARG 1 -3.151 2.094 -6.424
2 HA ARG 1 HA ARG 1 -2.562 4.297 -6.428
3 HB3 ARG 1 HB3 ARG 1 -1.609 3.879 -8.539
4 HG3 ARG 1 HG3 ARG 1 -4.349 4.046 -9.777
5 HD3 ARG 1 HD3 ARG 1 -2.230 4.863 -11.045
6 HE ARG 1 HE ARG 1 -1.222 2.422 -10.488
7 HH11 ARG 1 HH11 ARG 1 -2.219 3.966 -13.444
8 HH12 ARG 1 HH12 ARG 1 -1.083 3.108 -14.431
9 HH21 ARG 1 HH22 ARG 1 0.280 1.285 -11.775
10 HH22 ARG 1 HH21 ARG 1 0.337 1.582 -13.479
11 H ARG 2 H ARG 2 -3.358 6.392 -6.225
12 HA ARG 2 HA ARG 2 -6.089 6.943 -7.073
13 HB3 ARG 2 HB3 ARG 2 -6.317 7.887 -4.571
14 HG3 ARG 2 HG3 ARG 2 -7.182 5.424 -4.018
15 HD3 ARG 2 HD3 ARG 2 -8.274 7.793 -5.126
16 HE ARG 2 HE ARG 2 -8.920 5.536 -6.754
17 HH11 ARG 2 HH11 ARG 2 -10.199 8.448 -5.339
18 HH12 ARG 2 HH12 ARG 2 -11.433 8.646 -6.540
19 HH21 ARG 2 HH22 ARG 2 -10.539 5.785 -8.342
20 HH22 ARG 2 HH21 ARG 2 -11.625 7.130 -8.247
21 H ARG 3 H ARG 3 -3.436 8.214 -5.055
22 HA ARG 3 HA ARG 3 -2.420 10.247 -4.979
23 HB3 ARG 3 HB3 ARG 3 -3.465 10.667 -7.778
24 HG3 ARG 3 HG3 ARG 3 -0.914 11.580 -6.464
25 HD3 ARG 3 HD3 ARG 3 -1.685 11.293 -9.212
26 HE ARG 3 HE ARG 3 -2.190 13.468 -9.675
27 HH11 ARG 3 HH11 ARG 3 0.288 13.395 -7.230
28 HH12 ARG 3 HH12 ARG 3 0.514 15.113 -7.225
29 HH21 ARG 3 HH22 ARG 3 -1.901 15.730 -9.677
30 HH22 ARG 3 HH21 ARG 3 -0.731 16.440 -8.616
31 H ARG 4 H ARG 4 -4.524 10.432 -3.541
32 HA ARG 4 HA ARG 4 -5.979 12.832 -4.440
33 HB3 ARG 4 HB3 ARG 4 -7.701 11.985 -2.670
34 HG3 ARG 4 HG3 ARG 4 -8.226 10.067 -4.611
35 HD3 ARG 4 HD3 ARG 4 -9.493 12.180 -3.558
36 HE ARG 4 HE ARG 4 -8.281 13.293 -5.873
37 HH11 ARG 4 HH11 ARG 4 -11.259 13.213 -4.070
38 HH12 ARG 4 HH12 ARG 4 -11.776 14.778 -4.603
39 HH21 ARG 4 HH22 ARG 4 -8.952 15.354 -6.583
40 HH22 ARG 4 HH21 ARG 4 -10.463 15.996 -6.034
41 H ARG 5 H ARG 5 -5.183 11.118 -1.410
42 HA ARG 5 HA ARG 5 -4.568 13.739 -0.213
43 HB3 ARG 5 HB3 ARG 5 -5.332 11.298 1.368
44 HG3 ARG 5 HG3 ARG 5 -5.990 14.125 2.063
45 HD3 ARG 5 HD3 ARG 5 -5.237 12.720 4.310
46 HE ARG 5 HE ARG 5 -7.602 13.854 3.402
47 HH11 ARG 5 HH11 ARG 5 -6.609 11.197 5.421
48 HH12 ARG 5 HH12 ARG 5 -8.027 11.253 6.417
49 HH21 ARG 5 HH22 ARG 5 -9.473 13.938 4.705
50 HH22 ARG 5 HH21 ARG 5 -9.656 12.813 6.007
51 H ARG 6 H ARG 6 -2.768 11.966 -1.713
52 HA ARG 6 HA ARG 6 -0.665 11.101 -1.596
53 HB3 ARG 6 HB3 ARG 6 0.834 12.118 0.094
54 HG3 ARG 6 HG3 ARG 6 -0.726 14.487 -0.620
55 HD3 ARG 6 HD3 ARG 6 1.467 14.917 -1.866
56 HE ARG 6 HE ARG 6 0.940 15.209 0.833
57 HH11 ARG 6 HH11 ARG 6 3.731 14.812 -1.210
58 HH12 ARG 6 HH12 ARG 6 4.787 15.699 -0.162
59 HH21 ARG 6 HH22 ARG 6 2.321 16.380 2.221
60 HH22 ARG 6 HH21 ARG 6 3.984 16.591 1.790
61 HA PRO 7 HA PRO 7 -2.027 7.933 1.531
62 HB3 PRO 7 HB3 PRO 7 -3.424 6.907 0.022
63 HG3 PRO 7 HG3 PRO 7 -3.109 7.159 -2.267
64 HD3 PRO 7 HD3 PRO 7 -3.043 9.368 -1.612
65 HA PRO 8 HA PRO 8 1.945 6.199 2.271
66 HB3 PRO 8 HB3 PRO 8 1.037 5.057 4.046
67 HG3 PRO 8 HG3 PRO 8 -1.083 4.113 3.908
68 HD3 PRO 8 HD3 PRO 8 -1.547 6.242 3.155
69 H CYS 9 H CYS 9 -0.139 4.143 0.270
70 HA CYS 9 HA CYS 9 1.970 2.585 -0.823
71 HB3 CYS 9 HB3 CYS 9 -0.322 2.809 -2.582
72 H GLU 10 H GLU 10 1.080 5.784 -1.304
73 HA GLU 10 HA GLU 10 2.030 5.883 -4.063
74 HB3 GLU 10 HB3 GLU 10 1.530 8.465 -3.456
75 HG3 GLU 10 HG3 GLU 10 -0.787 8.146 -4.268
76 H ASP 11 H ASP 11 2.765 7.374 -0.917
77 HA ASP 11 HA ASP 11 5.041 8.789 -1.710
78 HB3 ASP 11 HB3 ASP 11 5.452 7.930 0.955
79 H VAL 12 H VAL 12 4.686 5.474 -0.534
80 HA VAL 12 HA VAL 12 7.550 5.013 -0.967
81 HB VAL 12 HB VAL 12 7.318 2.984 0.288
82 HG11 VAL 12 HG11 VAL 12 7.583 4.904 1.671
83 HG12 VAL 12 HG12 VAL 12 5.867 5.301 1.554
84 HG13 VAL 12 HG13 VAL 12 6.383 3.866 2.441
85 HG21 VAL 12 HG21 VAL 12 4.710 2.936 1.261
86 HG22 VAL 12 HG22 VAL 12 4.542 3.236 -0.469
87 HG23 VAL 12 HG23 VAL 12 5.428 1.820 0.098
88 H ASN 13 H ASN 13 4.915 4.976 -2.809
89 HA ASN 13 HA ASN 13 4.114 3.728 -4.567
90 HB3 ASN 13 HB3 ASN 13 5.924 4.829 -5.662
91 HD21 ASN 13 HD22 ASN 13 7.500 5.589 -4.239
92 HD22 ASN 13 HD21 ASN 13 8.993 4.752 -4.005
93 H GLY 14 H GLY 14 3.278 1.988 -3.257
94 HA2 GLY 14 HA2 GLY 14 4.928 -0.456 -3.329
95 HA3 GLY 14 HA3 GLY 14 3.612 -0.168 -2.201
96 H GLN 15 H GLN 15 3.007 -2.361 -3.005
97 HA GLN 15 HA GLN 15 1.465 -2.155 -5.508
98 HB3 GLN 15 HB3 GLN 15 1.647 -4.760 -5.363
99 HG3 GLN 15 HG3 GLN 15 4.120 -4.539 -6.277
100 HE21 GLN 15 HE22 GLN 15 3.868 -2.938 -8.611
101 HE22 GLN 15 HE21 GLN 15 2.601 -3.614 -9.572
102 H CYS 16 H CYS 16 -0.487 -3.553 -5.579
103 HA CYS 16 HA CYS 16 -1.830 -3.519 -2.962
104 HB3 CYS 16 HB3 CYS 16 -3.918 -3.279 -4.151
105 H GLN 17 H GLN 17 -1.317 -5.540 -2.193
106 HA GLN 17 HA GLN 17 -2.399 -7.802 -3.741
107 HB3 GLN 17 HB3 GLN 17 -0.532 -9.032 -3.442
108 HG3 GLN 17 HG3 GLN 17 0.893 -6.580 -2.493
109 HE21 GLN 17 HE22 GLN 17 2.999 -6.429 -3.485
110 HE22 GLN 17 HE21 GLN 17 3.835 -7.872 -3.937
111 HA PRO 18 HA PRO 18 -4.839 -8.930 -0.277
112 HB3 PRO 18 HB3 PRO 18 -5.562 -10.745 -1.488
113 HG3 PRO 18 HG3 PRO 18 -4.105 -11.932 -2.857
114 HD3 PRO 18 HD3 PRO 18 -3.661 -9.785 -3.571
115 H ARG 19 H ARG 19 -4.724 -10.805 1.597
116 HA ARG 19 HA ARG 19 -2.390 -10.040 3.150
117 HB3 ARG 19 HB3 ARG 19 -4.526 -9.875 4.256
118 HG3 ARG 19 HG3 ARG 19 -5.123 -12.683 4.570
119 HD3 ARG 19 HD3 ARG 19 -7.091 -10.991 3.252
120 HE ARG 19 HE ARG 19 -7.067 -12.868 5.370
121 HH11 ARG 19 HH11 ARG 19 -8.750 -10.043 4.225
122 HH12 ARG 19 HH12 ARG 19 -10.247 -10.465 4.991
123 HH21 ARG 19 HH22 ARG 19 -9.031 -13.434 6.382
124 HH22 ARG 19 HH21 ARG 19 -10.405 -12.393 6.218
125 H GLY 20 H GLY 20 -3.524 -12.716 1.328
126 HA2 GLY 20 HA2 GLY 20 -1.844 -14.654 2.699
127 HA3 GLY 20 HA3 GLY 20 -2.879 -14.964 1.313
128 H ASN 21 H ASN 21 0.084 -13.195 2.192
129 HA ASN 21 HA ASN 21 1.516 -14.394 0.010
130 HB3 ASN 21 HB3 ASN 21 0.852 -12.801 -1.474
131 HD21 ASN 21 HD22 ASN 21 -0.506 -11.185 -2.004
132 HD22 ASN 21 HD21 ASN 21 -1.286 -10.152 -0.858
133 HA PRO 22 HA PRO 22 4.860 -13.709 2.779
134 HB3 PRO 22 HB3 PRO 22 6.026 -15.249 1.533
135 HG3 PRO 22 HG3 PRO 22 5.762 -15.369 -0.775
136 HD3 PRO 22 HD3 PRO 22 3.553 -15.397 -0.122
137 H CYS 23 H CYS 23 4.029 -11.514 0.331
138 HA CYS 23 HA CYS 23 6.058 -9.664 0.257
139 HB3 CYS 23 HB3 CYS 23 3.980 -9.525 -1.080
140 H LEU 24 H LEU 24 6.072 -7.462 1.299
141 HA LEU 24 HA LEU 24 5.893 -7.815 4.192
142 HB3 LEU 24 HB3 LEU 24 6.967 -5.280 3.283
143 HG LEU 24 HG LEU 24 8.467 -7.513 4.641
144 HD11 LEU 24 HD11 LEU 24 9.129 -4.847 3.764
145 HD12 LEU 24 HD12 LEU 24 10.174 -6.111 4.409
146 HD13 LEU 24 HD13 LEU 24 9.336 -5.015 5.507
147 HD21 LEU 24 HD21 LEU 24 6.498 -7.036 5.954
148 HD22 LEU 24 HD22 LEU 24 6.810 -5.304 5.852
149 HD23 LEU 24 HD23 LEU 24 7.916 -6.347 6.746
150 H ARG 25 H ARG 25 3.809 -7.450 4.787
151 HA ARG 25 HA ARG 25 1.988 -5.683 3.730
152 HB3 ARG 25 HB3 ARG 25 1.488 -5.634 6.481
153 HG3 ARG 25 HG3 ARG 25 0.103 -6.411 4.333
154 HD3 ARG 25 HD3 ARG 25 1.380 -8.568 4.257
155 HE ARG 25 HE ARG 25 1.551 -9.645 6.258
156 HH11 ARG 25 HH11 ARG 25 -1.678 -8.381 5.948
157 HH12 ARG 25 HH12 ARG 25 -2.250 -9.126 7.403
158 HH21 ARG 25 HH22 ARG 25 0.811 -10.632 8.177
159 HH22 ARG 25 HH21 ARG 25 -0.833 -10.405 8.672
160 H LEU 26 H LEU 26 1.797 -3.541 3.647
161 HA LEU 26 HA LEU 26 3.617 -1.922 5.288
162 HB3 LEU 26 HB3 LEU 26 2.739 -0.141 3.537
163 HG LEU 26 HG LEU 26 5.003 -1.972 3.410
164 HD11 LEU 26 HD11 LEU 26 4.522 -0.605 0.829
165 HD12 LEU 26 HD12 LEU 26 3.648 -2.107 1.126
166 HD13 LEU 26 HD13 LEU 26 5.410 -2.087 1.183
167 HD21 LEU 26 HD21 LEU 26 5.260 0.258 4.229
168 HD22 LEU 26 HD22 LEU 26 4.544 0.936 2.768
169 HD23 LEU 26 HD23 LEU 26 6.117 0.145 2.691
170 H ARG 27 H ARG 27 0.508 -1.158 3.746
171 HA ARG 27 HA ARG 27 -0.811 -0.780 6.277
172 HB3 ARG 27 HB3 ARG 27 -1.351 1.681 5.529
173 HG3 ARG 27 HG3 ARG 27 0.344 0.646 7.426
174 HD3 ARG 27 HD3 ARG 27 1.829 2.882 6.086
175 HE ARG 27 HE ARG 27 3.202 1.021 7.794
176 HH11 ARG 27 HH11 ARG 27 1.333 3.955 7.665
177 HH12 ARG 27 HH12 ARG 27 1.955 4.572 9.159
178 HH21 ARG 27 HH22 ARG 27 4.029 1.822 9.763
179 HH22 ARG 27 HH21 ARG 27 3.490 3.358 10.352
180 H GLY 28 H GLY 28 -2.968 0.645 5.653
181 HA2 GLY 28 HA2 GLY 28 -4.521 -1.091 4.090
182 HA3 GLY 28 HA3 GLY 28 -5.006 0.517 4.607
183 H ALA 29 H ALA 29 -5.142 2.102 3.129
184 HA ALA 29 HA ALA 29 -5.322 3.037 1.054
185 HB1 ALA 29 HB1 ALA 29 -2.655 2.737 1.696
186 HB2 ALA 29 HB2 ALA 29 -2.758 2.109 0.050
187 HB3 ALA 29 HB3 ALA 29 -3.310 3.745 0.406
188 H CYS 30 H CYS 30 -4.348 2.377 -1.433
189 HA CYS 30 HA CYS 30 -4.816 1.116 -3.267
190 HB3 CYS 30 HB3 CYS 30 -4.998 -1.475 -2.668
191 HA PRO 31 HA PRO 31 -9.150 0.508 -3.550
192 HB3 PRO 31 HB3 PRO 31 -8.880 0.252 -5.818
193 HG3 PRO 31 HG3 PRO 31 -7.058 -0.903 -6.685
194 HD3 PRO 31 HD3 PRO 31 -5.970 0.526 -5.242
195 H ARG 32 H ARG 32 -10.908 -0.887 -3.059
196 HA ARG 32 HA ARG 32 -10.559 -2.621 -0.945
197 HB3 ARG 32 HB3 ARG 32 -12.842 -3.262 -1.224
198 HG3 ARG 32 HG3 ARG 32 -12.158 -0.625 -1.167
199 HD3 ARG 32 HD3 ARG 32 -12.716 -0.711 -3.704
200 HE ARG 32 HE ARG 32 -15.176 -1.553 -2.830
201 HH11 ARG 32 HH11 ARG 32 -13.956 1.158 -4.640
202 HH12 ARG 32 HH12 ARG 32 -15.407 1.358 -5.567
203 HH21 ARG 32 HH22 ARG 32 -17.091 -1.300 -4.042
204 HH22 ARG 32 HH21 ARG 32 -17.190 -0.039 -5.226
205 H GLY 33 H GLY 33 -10.604 -4.886 -0.720
206 HA2 GLY 33 HA2 GLY 33 -10.512 -7.109 -1.487
207 HA3 GLY 33 HA3 GLY 33 -10.322 -6.510 -3.129
208 H SER 34 H SER 34 -8.186 -4.625 -2.037
209 HA SER 34 HA SER 34 -6.045 -6.572 -1.559
210 HB3 SER 34 HB3 SER 34 -5.579 -6.332 -3.789
211 HG SER 34 HG SER 34 -6.775 -5.011 -4.883
212 H ARG 35 H ARG 35 -4.103 -5.645 -0.661
213 HA ARG 35 HA ARG 35 -4.519 -3.008 0.582
214 HB3 ARG 35 HB3 ARG 35 -4.893 -4.846 2.206
215 HG3 ARG 35 HG3 ARG 35 -2.363 -5.665 2.908
216 HD3 ARG 35 HD3 ARG 35 -3.102 -7.873 2.245
217 HE ARG 35 HE ARG 35 -4.525 -6.413 3.989
218 HH11 ARG 35 HH11 ARG 35 -5.472 -8.714 1.553
219 HH12 ARG 35 HH12 ARG 35 -6.880 -9.241 2.414
220 HH21 ARG 35 HH22 ARG 35 -6.376 -7.099 5.132
221 HH22 ARG 35 HH21 ARG 35 -7.392 -8.322 4.449
222 H CYS 36 H CYS 36 -2.451 -2.038 1.390
223 HA CYS 36 HA CYS 36 -0.520 -2.051 -0.713
224 HB3 CYS 36 HB3 CYS 36 -0.180 -0.744 1.983
225 H CYS 37 H CYS 37 1.002 -3.539 -0.947
226 HA CYS 37 HA CYS 37 2.346 -4.570 1.460
227 HB3 CYS 37 HB3 CYS 37 2.290 -6.449 -0.779
228 H MET 38 H MET 38 4.545 -5.114 1.221
229 HA MET 38 HA MET 38 5.907 -3.541 -0.784
230 HB3 MET 38 HB3 MET 38 7.450 -5.323 1.016
231 HG3 MET 38 HG3 MET 38 8.496 -3.003 1.515
232 HE1 MET 38 HE1 MET 38 10.467 -3.612 1.657
233 HE2 MET 38 HE2 MET 38 11.438 -4.666 0.629
234 HE3 MET 38 HE3 MET 38 11.384 -2.933 0.311
235 HA PRO 39 HA PRO 39 6.360 -6.922 -3.616
236 HB3 PRO 39 HB3 PRO 39 6.362 -5.324 -5.268
237 HG3 PRO 39 HG3 PRO 39 7.234 -3.203 -4.884
238 HD3 PRO 39 HD3 PRO 39 5.851 -3.401 -3.051
239 H THR 40 H THR 40 8.500 -7.698 -4.938
240 HA THR 40 HA THR 40 10.422 -8.390 -2.828
241 HB THR 40 HB THR 40 11.105 -10.072 -4.801
242 HG1 THR 40 HG1 THR 40 9.448 -9.244 -6.198
243 HG21 THR 40 HG21 THR 40 10.444 -11.556 -3.274
244 HG22 THR 40 HG22 THR 40 8.749 -11.151 -3.541
245 HG23 THR 40 HG23 THR 40 9.704 -10.228 -2.381
246 H VAL 41 H VAL 41 11.398 -6.223 -3.152
247 HA VAL 41 HA VAL 41 13.435 -6.360 -5.263
248 HB VAL 41 HB VAL 41 13.248 -3.998 -5.739
249 HG11 VAL 41 HG11 VAL 41 11.467 -4.151 -7.152
250 HG12 VAL 41 HG12 VAL 41 11.606 -5.849 -6.697
251 HG13 VAL 41 HG13 VAL 41 10.401 -4.820 -5.918
252 HG21 VAL 41 HG21 VAL 41 12.442 -2.640 -4.171
253 HG22 VAL 41 HG22 VAL 41 10.827 -3.201 -4.604
254 HG23 VAL 41 HG23 VAL 41 11.713 -3.989 -3.298
255 H ALA 42 H ALA 42 14.927 -4.214 -4.762
256 HA ALA 42 HA ALA 42 15.660 -4.457 -1.915
257 HB1 ALA 42 HB1 ALA 42 17.450 -5.499 -2.862
258 HB2 ALA 42 HB2 ALA 42 17.319 -4.597 -4.372
259 HB3 ALA 42 HB3 ALA 42 18.017 -3.832 -2.944
260 H ALA 43 H ALA 43 15.544 -2.355 -4.746
261 HA ALA 43 HA ALA 43 15.052 -0.056 -3.106
262 HB1 ALA 43 HB1 ALA 43 17.365 0.082 -2.792
263 HB2 ALA 43 HB2 ALA 43 17.711 -0.376 -4.459
264 HB3 ALA 43 HB3 ALA 43 17.034 1.213 -4.104
265 H HIS 44 H HIS 44 13.467 0.894 -4.191
266 HA HIS 44 HA HIS 44 13.761 1.247 -7.095
267 HB3 HIS 44 HB3 HIS 44 11.011 0.892 -6.031
268 HD1 HIS 44 HD1 HIS 44 10.104 1.833 -8.208
269 HD2 HIS 44 HD2 HIS 44 12.770 -1.304 -8.765
270 HE1 HIS 44 HE1 HIS 44 9.925 1.224 -10.640
Start of MODEL 12
1 H1 ARG 1 H1 ARG 1 -7.155 11.508 -1.347
2 HA ARG 1 HA ARG 1 -6.049 9.084 -0.672
3 HB3 ARG 1 HB3 ARG 1 -8.246 8.099 -0.614
4 HG3 ARG 1 HG3 ARG 1 -9.274 7.968 -3.115
5 HD3 ARG 1 HD3 ARG 1 -10.609 10.122 -2.086
6 HE ARG 1 HE ARG 1 -11.384 7.705 -0.803
7 HH11 ARG 1 HH11 ARG 1 -11.130 9.250 -3.914
8 HH12 ARG 1 HH12 ARG 1 -12.394 8.308 -4.631
9 HH21 ARG 1 HH22 ARG 1 -13.051 6.457 -1.738
10 HH22 ARG 1 HH21 ARG 1 -13.486 6.722 -3.392
11 H ARG 2 H ARG 2 -5.261 11.370 -2.019
12 HA ARG 2 HA ARG 2 -4.446 10.221 -4.588
13 HB3 ARG 2 HB3 ARG 2 -4.794 13.058 -4.887
14 HG3 ARG 2 HG3 ARG 2 -6.478 10.978 -6.227
15 HD3 ARG 2 HD3 ARG 2 -6.344 13.672 -6.536
16 HE ARG 2 HE ARG 2 -4.490 14.145 -7.770
17 HH11 ARG 2 HH11 ARG 2 -5.704 11.034 -8.753
18 HH12 ARG 2 HH12 ARG 2 -4.557 10.846 -10.037
19 HH21 ARG 2 HH22 ARG 2 -2.973 13.909 -9.457
20 HH22 ARG 2 HH21 ARG 2 -3.003 12.481 -10.435
21 H ARG 3 H ARG 3 -2.767 11.901 -5.602
22 HA ARG 3 HA ARG 3 -0.490 11.817 -4.013
23 HB3 ARG 3 HB3 ARG 3 -1.116 13.603 -6.369
24 HG3 ARG 3 HG3 ARG 3 1.475 13.068 -4.963
25 HD3 ARG 3 HD3 ARG 3 1.087 12.952 -7.753
26 HE ARG 3 HE ARG 3 1.484 15.604 -7.162
27 HH11 ARG 3 HH11 ARG 3 3.225 13.125 -8.876
28 HH12 ARG 3 HH12 ARG 3 3.974 14.231 -9.980
29 HH21 ARG 3 HH22 ARG 3 2.465 17.071 -8.608
30 HH22 ARG 3 HH21 ARG 3 3.541 16.475 -9.825
31 H ARG 4 H ARG 4 -3.025 14.170 -4.146
32 HA ARG 4 HA ARG 4 -1.735 16.421 -3.128
33 HB3 ARG 4 HB3 ARG 4 -3.971 16.604 -3.978
34 HG3 ARG 4 HG3 ARG 4 -4.954 14.985 -1.642
35 HD3 ARG 4 HD3 ARG 4 -6.532 16.650 -2.453
36 HE ARG 4 HE ARG 4 -5.630 15.964 -5.037
37 HH11 ARG 4 HH11 ARG 4 -8.523 16.820 -3.301
38 HH12 ARG 4 HH12 ARG 4 -9.303 17.512 -4.683
39 HH21 ARG 4 HH22 ARG 4 -6.647 16.874 -6.865
40 HH22 ARG 4 HH21 ARG 4 -8.236 17.542 -6.710
41 H ARG 5 H ARG 5 -3.265 13.711 -1.428
42 HA ARG 5 HA ARG 5 -2.612 14.777 1.167
43 HB3 ARG 5 HB3 ARG 5 -3.692 12.091 0.307
44 HG3 ARG 5 HG3 ARG 5 -3.102 13.177 3.022
45 HD3 ARG 5 HD3 ARG 5 -5.637 12.207 2.278
46 HE ARG 5 HE ARG 5 -5.428 9.967 2.662
47 HH11 ARG 5 HH11 ARG 5 -3.444 11.683 4.951
48 HH12 ARG 5 HH12 ARG 5 -3.018 10.261 5.845
49 HH21 ARG 5 HH22 ARG 5 -4.876 8.089 3.832
50 HH22 ARG 5 HH21 ARG 5 -3.833 8.218 5.207
51 H ARG 6 H ARG 6 -1.091 12.760 -1.168
52 HA ARG 6 HA ARG 6 0.940 11.736 -1.237
53 HB3 ARG 6 HB3 ARG 6 1.694 12.985 1.380
54 HG3 ARG 6 HG3 ARG 6 3.207 11.588 -0.301
55 HD3 ARG 6 HD3 ARG 6 2.620 13.577 -1.982
56 HE ARG 6 HE ARG 6 4.189 14.980 -0.235
57 HH11 ARG 6 HH11 ARG 6 4.427 14.048 -3.582
58 HH12 ARG 6 HH12 ARG 6 5.357 15.436 -4.039
59 HH21 ARG 6 HH22 ARG 6 5.413 16.813 -0.824
60 HH22 ARG 6 HH21 ARG 6 5.918 17.008 -2.469
61 HA PRO 7 HA PRO 7 -0.651 8.674 1.902
62 HB3 PRO 7 HB3 PRO 7 -2.320 7.943 0.503
63 HG3 PRO 7 HG3 PRO 7 -2.175 8.246 -1.797
64 HD3 PRO 7 HD3 PRO 7 -1.705 10.387 -1.085
65 HA PRO 8 HA PRO 8 3.057 6.330 2.209
66 HB3 PRO 8 HB3 PRO 8 2.154 5.278 4.042
67 HG3 PRO 8 HG3 PRO 8 -0.092 4.680 4.094
68 HD3 PRO 8 HD3 PRO 8 -0.284 6.879 3.436
69 H CYS 9 H CYS 9 0.538 4.370 0.608
70 HA CYS 9 HA CYS 9 2.213 2.634 -0.765
71 HB3 CYS 9 HB3 CYS 9 -0.168 3.432 -2.281
72 H GLU 10 H GLU 10 1.481 5.958 -1.378
73 HA GLU 10 HA GLU 10 2.392 5.929 -4.113
74 HB3 GLU 10 HB3 GLU 10 1.758 8.208 -2.233
75 HG3 GLU 10 HG3 GLU 10 3.015 8.260 -4.822
76 H ASP 11 H ASP 11 3.591 7.482 -1.131
77 HA ASP 11 HA ASP 11 6.006 8.409 -2.082
78 HB3 ASP 11 HB3 ASP 11 6.563 7.537 0.519
79 H VAL 12 H VAL 12 5.594 5.362 -0.266
80 HA VAL 12 HA VAL 12 8.178 4.398 -0.977
81 HB VAL 12 HB VAL 12 7.549 2.331 0.093
82 HG11 VAL 12 HG11 VAL 12 6.678 3.236 2.286
83 HG12 VAL 12 HG12 VAL 12 8.120 4.026 1.643
84 HG13 VAL 12 HG13 VAL 12 6.543 4.802 1.484
85 HG21 VAL 12 HG21 VAL 12 5.485 1.547 -0.193
86 HG22 VAL 12 HG22 VAL 12 4.936 2.722 1.002
87 HG23 VAL 12 HG23 VAL 12 4.897 3.125 -0.713
88 H ASN 13 H ASN 13 5.295 4.588 -2.688
89 HA ASN 13 HA ASN 13 4.506 3.649 -4.609
90 HB3 ASN 13 HB3 ASN 13 6.239 3.075 -6.298
91 HD21 ASN 13 HD22 ASN 13 8.278 5.166 -4.581
92 HD22 ASN 13 HD21 ASN 13 7.727 6.653 -5.266
93 H GLY 14 H GLY 14 3.682 1.941 -3.044
94 HA2 GLY 14 HA2 GLY 14 4.982 -0.661 -3.459
95 HA3 GLY 14 HA3 GLY 14 3.775 -0.302 -2.234
96 H GLN 15 H GLN 15 3.096 -2.468 -3.301
97 HA GLN 15 HA GLN 15 1.320 -1.885 -5.576
98 HB3 GLN 15 HB3 GLN 15 1.352 -4.375 -5.943
99 HG3 GLN 15 HG3 GLN 15 4.156 -4.033 -6.201
100 HE21 GLN 15 HE22 GLN 15 1.162 -3.073 -7.854
101 HE22 GLN 15 HE21 GLN 15 1.437 -4.027 -9.269
102 H CYS 16 H CYS 16 -0.616 -3.485 -5.602
103 HA CYS 16 HA CYS 16 -1.792 -3.488 -2.899
104 HB3 CYS 16 HB3 CYS 16 -4.001 -3.372 -4.107
105 H GLN 17 H GLN 17 -1.283 -5.548 -2.260
106 HA GLN 17 HA GLN 17 -2.455 -7.720 -3.870
107 HB3 GLN 17 HB3 GLN 17 -0.603 -8.991 -3.659
108 HG3 GLN 17 HG3 GLN 17 0.673 -6.410 -2.777
109 HE21 GLN 17 HE22 GLN 17 1.198 -9.307 -4.767
110 HE22 GLN 17 HE21 GLN 17 2.845 -9.536 -4.299
111 HA PRO 18 HA PRO 18 -4.845 -8.977 -0.413
112 HB3 PRO 18 HB3 PRO 18 -5.603 -10.734 -1.684
113 HG3 PRO 18 HG3 PRO 18 -4.178 -11.875 -3.125
114 HD3 PRO 18 HD3 PRO 18 -3.730 -9.705 -3.760
115 H ARG 19 H ARG 19 -4.722 -10.910 1.389
116 HA ARG 19 HA ARG 19 -2.346 -10.236 2.923
117 HB3 ARG 19 HB3 ARG 19 -3.509 -11.297 4.799
118 HG3 ARG 19 HG3 ARG 19 -4.360 -8.984 3.550
119 HD3 ARG 19 HD3 ARG 19 -6.324 -10.108 2.662
120 HE ARG 19 HE ARG 19 -6.415 -11.542 5.025
121 HH11 ARG 19 HH11 ARG 19 -8.619 -9.696 3.060
122 HH12 ARG 19 HH12 ARG 19 -10.008 -10.623 3.518
123 HH21 ARG 19 HH22 ARG 19 -8.238 -12.769 5.635
124 HH22 ARG 19 HH21 ARG 19 -9.791 -12.370 4.984
125 H GLY 20 H GLY 20 -3.725 -12.940 1.222
126 HA2 GLY 20 HA2 GLY 20 -2.008 -14.911 2.430
127 HA3 GLY 20 HA3 GLY 20 -3.061 -15.151 1.044
128 H ASN 21 H ASN 21 -0.049 -13.483 1.953
129 HA ASN 21 HA ASN 21 1.405 -14.685 -0.177
130 HB3 ASN 21 HB3 ASN 21 0.564 -13.209 -1.734
131 HD21 ASN 21 HD22 ASN 21 -0.516 -11.347 -2.369
132 HD22 ASN 21 HD21 ASN 21 -1.245 -10.274 -1.228
133 HA PRO 22 HA PRO 22 4.757 -13.644 2.460
134 HB3 PRO 22 HB3 PRO 22 6.037 -15.075 1.196
135 HG3 PRO 22 HG3 PRO 22 5.744 -15.228 -1.105
136 HD3 PRO 22 HD3 PRO 22 3.558 -15.455 -0.413
137 H CYS 23 H CYS 23 3.621 -11.526 0.098
138 HA CYS 23 HA CYS 23 5.435 -9.501 -0.138
139 HB3 CYS 23 HB3 CYS 23 3.084 -9.631 -1.107
140 H LEU 24 H LEU 24 5.610 -7.414 0.963
141 HA LEU 24 HA LEU 24 5.560 -7.785 3.867
142 HB3 LEU 24 HB3 LEU 24 6.942 -5.652 2.247
143 HG LEU 24 HG LEU 24 6.867 -6.169 5.132
144 HD11 LEU 24 HD11 LEU 24 9.143 -7.064 4.119
145 HD12 LEU 24 HD12 LEU 24 9.088 -6.151 5.625
146 HD13 LEU 24 HD13 LEU 24 9.533 -5.344 4.123
147 HD21 LEU 24 HD21 LEU 24 7.795 -3.806 5.067
148 HD22 LEU 24 HD22 LEU 24 6.190 -4.045 4.377
149 HD23 LEU 24 HD23 LEU 24 7.589 -3.885 3.316
150 H ARG 25 H ARG 25 3.390 -7.336 4.284
151 HA ARG 25 HA ARG 25 1.707 -5.456 3.388
152 HB3 ARG 25 HB3 ARG 25 1.330 -7.052 5.311
153 HG3 ARG 25 HG3 ARG 25 1.512 -5.946 7.580
154 HD3 ARG 25 HD3 ARG 25 4.298 -6.332 6.880
155 HE ARG 25 HE ARG 25 2.868 -8.380 8.315
156 HH11 ARG 25 HH11 ARG 25 4.397 -5.258 8.503
157 HH12 ARG 25 HH12 ARG 25 4.676 -5.352 10.210
158 HH21 ARG 25 HH22 ARG 25 3.230 -8.517 10.563
159 HH22 ARG 25 HH21 ARG 25 4.013 -7.207 11.381
160 H LEU 26 H LEU 26 1.293 -3.278 3.630
161 HA LEU 26 HA LEU 26 3.400 -1.689 4.936
162 HB3 LEU 26 HB3 LEU 26 2.258 -0.115 2.917
163 HG LEU 26 HG LEU 26 4.928 -1.484 3.078
164 HD11 LEU 26 HD11 LEU 26 3.877 0.289 0.881
165 HD12 LEU 26 HD12 LEU 26 4.444 -1.374 0.734
166 HD13 LEU 26 HD13 LEU 26 5.583 -0.087 1.131
167 HD21 LEU 26 HD21 LEU 26 3.806 1.178 3.711
168 HD22 LEU 26 HD22 LEU 26 5.422 1.141 3.005
169 HD23 LEU 26 HD23 LEU 26 5.094 0.269 4.502
170 H ARG 27 H ARG 27 0.231 -1.062 3.425
171 HA ARG 27 HA ARG 27 -0.941 -0.299 5.938
172 HB3 ARG 27 HB3 ARG 27 -1.530 2.026 4.843
173 HG3 ARG 27 HG3 ARG 27 0.212 1.293 6.824
174 HD3 ARG 27 HD3 ARG 27 1.708 3.303 5.195
175 HE ARG 27 HE ARG 27 2.234 1.861 7.618
176 HH11 ARG 27 HH11 ARG 27 3.680 3.459 4.885
177 HH12 ARG 27 HH12 ARG 27 5.167 3.799 5.705
178 HH21 ARG 27 HH22 ARG 27 4.187 2.302 8.709
179 HH22 ARG 27 HH21 ARG 27 5.456 3.138 7.881
180 H GLY 28 H GLY 28 -3.151 0.972 5.289
181 HA2 GLY 28 HA2 GLY 28 -4.522 -0.937 3.561
182 HA3 GLY 28 HA3 GLY 28 -5.281 0.217 4.647
183 H ALA 29 H ALA 29 -2.787 1.384 2.578
184 HA ALA 29 HA ALA 29 -4.626 3.154 1.262
185 HB1 ALA 29 HB1 ALA 29 -2.394 3.680 -0.041
186 HB2 ALA 29 HB2 ALA 29 -2.643 4.235 1.614
187 HB3 ALA 29 HB3 ALA 29 -1.674 2.795 1.302
188 H CYS 30 H CYS 30 -5.701 0.956 0.500
189 HA CYS 30 HA CYS 30 -5.137 0.790 -2.331
190 HB3 CYS 30 HB3 CYS 30 -5.268 -1.853 -1.982
191 HA PRO 31 HA PRO 31 -9.460 0.130 -2.657
192 HB3 PRO 31 HB3 PRO 31 -9.199 0.113 -4.940
193 HG3 PRO 31 HG3 PRO 31 -7.360 -0.909 -5.930
194 HD3 PRO 31 HD3 PRO 31 -6.291 0.386 -4.350
195 H ARG 32 H ARG 32 -11.192 -1.365 -2.350
196 HA ARG 32 HA ARG 32 -10.815 -3.283 -0.405
197 HB3 ARG 32 HB3 ARG 32 -13.072 -3.970 -0.788
198 HG3 ARG 32 HG3 ARG 32 -12.472 -1.332 -0.444
199 HD3 ARG 32 HD3 ARG 32 -13.987 -1.673 -2.969
200 HE ARG 32 HE ARG 32 -15.094 -0.121 -0.879
201 HH11 ARG 32 HH11 ARG 32 -14.363 -0.011 -4.281
202 HH12 ARG 32 HH12 ARG 32 -15.626 1.117 -4.649
203 HH21 ARG 32 HH22 ARG 32 -16.759 1.364 -1.351
204 HH22 ARG 32 HH21 ARG 32 -16.987 1.900 -2.981
205 H GLY 33 H GLY 33 -10.733 -5.544 -0.389
206 HA2 GLY 33 HA2 GLY 33 -10.555 -7.685 -1.348
207 HA3 GLY 33 HA3 GLY 33 -10.419 -6.939 -2.934
208 H SER 34 H SER 34 -8.352 -5.069 -1.634
209 HA SER 34 HA SER 34 -6.124 -6.923 -1.289
210 HB3 SER 34 HB3 SER 34 -4.775 -5.525 -2.945
211 HG SER 34 HG SER 34 -6.167 -6.567 -4.769
212 H ARG 35 H ARG 35 -4.064 -5.664 -0.774
213 HA ARG 35 HA ARG 35 -4.615 -3.126 0.576
214 HB3 ARG 35 HB3 ARG 35 -4.790 -5.170 2.145
215 HG3 ARG 35 HG3 ARG 35 -1.823 -4.929 2.329
216 HD3 ARG 35 HD3 ARG 35 -2.170 -7.270 3.233
217 HE ARG 35 HE ARG 35 -1.912 -5.738 4.977
218 HH11 ARG 35 HH11 ARG 35 -5.204 -5.872 3.853
219 HH12 ARG 35 HH12 ARG 35 -5.847 -5.052 5.236
220 HH21 ARG 35 HH22 ARG 35 -2.746 -4.657 6.804
221 HH22 ARG 35 HH21 ARG 35 -4.449 -4.360 6.914
222 H CYS 36 H CYS 36 -2.644 -1.958 1.178
223 HA CYS 36 HA CYS 36 -0.748 -1.978 -0.930
224 HB3 CYS 36 HB3 CYS 36 -0.482 -0.576 1.733
225 H CYS 37 H CYS 37 0.639 -3.619 -1.146
226 HA CYS 37 HA CYS 37 2.105 -4.517 1.248
227 HB3 CYS 37 HB3 CYS 37 2.441 -6.442 -0.768
228 H MET 38 H MET 38 4.244 -4.245 1.278
229 HA MET 38 HA MET 38 5.550 -2.824 -0.814
230 HB3 MET 38 HB3 MET 38 7.366 -4.116 1.048
231 HG3 MET 38 HG3 MET 38 7.106 -1.409 1.687
232 HE1 MET 38 HE1 MET 38 10.614 -0.343 0.555
233 HE2 MET 38 HE2 MET 38 9.342 -0.170 -0.654
234 HE3 MET 38 HE3 MET 38 8.999 0.169 1.043
235 HA PRO 39 HA PRO 39 6.901 -6.154 -3.359
236 HB3 PRO 39 HB3 PRO 39 7.322 -4.560 -4.958
237 HG3 PRO 39 HG3 PRO 39 8.084 -2.443 -4.369
238 HD3 PRO 39 HD3 PRO 39 6.288 -2.631 -2.937
239 H THR 40 H THR 40 9.126 -7.164 -4.031
240 HA THR 40 HA THR 40 10.612 -7.635 -1.539
241 HB THR 40 HB THR 40 10.611 -9.372 -4.011
242 HG1 THR 40 HG1 THR 40 8.534 -9.432 -3.206
243 HG21 THR 40 HG21 THR 40 12.403 -10.178 -2.883
244 HG22 THR 40 HG22 THR 40 11.164 -10.999 -1.934
245 HG23 THR 40 HG23 THR 40 11.875 -9.497 -1.345
246 H VAL 41 H VAL 41 11.727 -5.543 -2.084
247 HA VAL 41 HA VAL 41 13.944 -6.024 -3.969
248 HB VAL 41 HB VAL 41 14.155 -3.546 -4.123
249 HG11 VAL 41 HG11 VAL 41 12.334 -5.250 -5.387
250 HG12 VAL 41 HG12 VAL 41 11.443 -3.765 -5.057
251 HG13 VAL 41 HG13 VAL 41 12.944 -3.706 -5.980
252 HG21 VAL 41 HG21 VAL 41 11.403 -3.285 -3.001
253 HG22 VAL 41 HG22 VAL 41 12.785 -3.316 -1.905
254 HG23 VAL 41 HG23 VAL 41 12.677 -2.074 -3.154
255 H ALA 42 H ALA 42 15.837 -4.407 -3.352
256 HA ALA 42 HA ALA 42 16.698 -5.229 -0.725
257 HB1 ALA 42 HB1 ALA 42 18.794 -4.855 -1.458
258 HB2 ALA 42 HB2 ALA 42 18.024 -4.846 -3.045
259 HB3 ALA 42 HB3 ALA 42 18.368 -3.324 -2.224
260 H ALA 43 H ALA 43 18.202 -3.261 0.271
261 HA ALA 43 HA ALA 43 16.529 -0.868 0.491
262 HB1 ALA 43 HB1 ALA 43 17.591 -2.085 3.004
263 HB2 ALA 43 HB2 ALA 43 16.241 -0.972 2.777
264 HB3 ALA 43 HB3 ALA 43 16.074 -2.665 2.318
265 H HIS 44 H HIS 44 17.677 0.842 1.840
266 HA HIS 44 HA HIS 44 20.475 0.917 0.992
267 HB3 HIS 44 HB3 HIS 44 19.238 3.309 2.226
268 HD1 HIS 44 HD1 HIS 44 21.798 3.986 2.175
269 HD2 HIS 44 HD2 HIS 44 20.042 3.362 -1.538
270 HE1 HIS 44 HE1 HIS 44 23.372 5.016 0.508
Start of MODEL 13
1 H1 ARG 1 H1 ARG 1 -8.354 7.274 -5.967
2 HA ARG 1 HA ARG 1 -7.650 9.297 -7.888
3 HB3 ARG 1 HB3 ARG 1 -8.108 10.952 -5.743
4 HG3 ARG 1 HG3 ARG 1 -8.762 11.067 -8.306
5 HD3 ARG 1 HD3 ARG 1 -11.498 11.300 -7.644
6 HE ARG 1 HE ARG 1 -10.874 9.091 -9.315
7 HH11 ARG 1 HH11 ARG 1 -10.671 12.562 -9.122
8 HH12 ARG 1 HH12 ARG 1 -10.697 12.790 -10.839
9 HH21 ARG 1 HH22 ARG 1 -10.909 9.379 -11.577
10 HH22 ARG 1 HH21 ARG 1 -10.833 10.977 -12.235
11 H ARG 2 H ARG 2 -5.514 9.388 -7.772
12 HA ARG 2 HA ARG 2 -4.224 8.946 -5.163
13 HB3 ARG 2 HB3 ARG 2 -3.690 7.256 -6.875
14 HG3 ARG 2 HG3 ARG 2 -2.543 9.575 -8.410
15 HD3 ARG 2 HD3 ARG 2 -1.677 6.854 -8.247
16 HE ARG 2 HE ARG 2 -3.205 7.390 -10.625
17 HH11 ARG 2 HH11 ARG 2 -0.505 5.653 -9.277
18 HH12 ARG 2 HH12 ARG 2 -0.526 4.418 -10.491
19 HH21 ARG 2 HH22 ARG 2 -3.243 5.770 -12.229
20 HH22 ARG 2 HH21 ARG 2 -2.083 4.485 -12.171
21 H ARG 3 H ARG 3 -1.930 9.985 -5.142
22 HA ARG 3 HA ARG 3 -0.756 11.922 -4.913
23 HB3 ARG 3 HB3 ARG 3 -1.921 12.733 -7.572
24 HG3 ARG 3 HG3 ARG 3 0.636 13.305 -6.133
25 HD3 ARG 3 HD3 ARG 3 0.311 12.784 -8.969
26 HE ARG 3 HE ARG 3 0.490 15.495 -8.421
27 HH11 ARG 3 HH11 ARG 3 2.319 13.080 -10.138
28 HH12 ARG 3 HH12 ARG 3 2.961 14.201 -11.292
29 HH21 ARG 3 HH22 ARG 3 1.329 16.980 -9.936
30 HH22 ARG 3 HH21 ARG 3 2.399 16.419 -11.176
31 H ARG 4 H ARG 4 -3.410 11.871 -3.812
32 HA ARG 4 HA ARG 4 -4.526 14.506 -4.295
33 HB3 ARG 4 HB3 ARG 4 -5.354 12.365 -2.327
34 HG3 ARG 4 HG3 ARG 4 -7.566 13.876 -3.065
35 HD3 ARG 4 HD3 ARG 4 -5.964 13.381 -0.641
36 HE ARG 4 HE ARG 4 -6.360 15.482 0.168
37 HH11 ARG 4 HH11 ARG 4 -9.145 14.419 -1.632
38 HH12 ARG 4 HH12 ARG 4 -10.119 15.777 -1.176
39 HH21 ARG 4 HH22 ARG 4 -7.634 17.274 0.773
40 HH22 ARG 4 HH21 ARG 4 -9.259 17.401 0.192
41 H ARG 5 H ARG 5 -2.839 12.766 -1.724
42 HA ARG 5 HA ARG 5 -2.010 15.306 -0.577
43 HB3 ARG 5 HB3 ARG 5 -3.239 13.237 1.233
44 HG3 ARG 5 HG3 ARG 5 -1.874 15.683 1.687
45 HD3 ARG 5 HD3 ARG 5 -4.820 15.725 2.228
46 HE ARG 5 HE ARG 5 -2.860 16.589 4.093
47 HH11 ARG 5 HH11 ARG 5 -5.898 17.481 2.647
48 HH12 ARG 5 HH12 ARG 5 -6.409 18.439 3.998
49 HH21 ARG 5 HH22 ARG 5 -3.520 17.848 5.878
50 HH22 ARG 5 HH21 ARG 5 -5.054 18.646 5.835
51 H ARG 6 H ARG 6 -0.689 13.146 -1.987
52 HA ARG 6 HA ARG 6 1.161 11.820 -1.875
53 HB3 ARG 6 HB3 ARG 6 2.904 12.573 -0.237
54 HG3 ARG 6 HG3 ARG 6 1.969 15.151 -1.256
55 HD3 ARG 6 HD3 ARG 6 4.350 14.190 -0.584
56 HE ARG 6 HE ARG 6 5.116 12.768 -2.189
57 HH11 ARG 6 HH11 ARG 6 3.235 15.261 -3.728
58 HH12 ARG 6 HH12 ARG 6 3.586 14.715 -5.335
59 HH21 ARG 6 HH22 ARG 6 5.586 12.040 -4.299
60 HH22 ARG 6 HH21 ARG 6 4.923 12.883 -5.659
61 HA PRO 7 HA PRO 7 -0.720 9.264 1.545
62 HB3 PRO 7 HB3 PRO 7 -2.436 8.531 0.204
63 HG3 PRO 7 HG3 PRO 7 -2.248 8.570 -2.114
64 HD3 PRO 7 HD3 PRO 7 -1.599 10.728 -1.626
65 HA PRO 8 HA PRO 8 2.764 6.656 2.164
66 HB3 PRO 8 HB3 PRO 8 1.758 5.888 4.081
67 HG3 PRO 8 HG3 PRO 8 -0.533 5.494 4.159
68 HD3 PRO 8 HD3 PRO 8 -0.526 7.619 3.267
69 H CYS 9 H CYS 9 0.097 4.761 0.734
70 HA CYS 9 HA CYS 9 1.621 2.747 -0.414
71 HB3 CYS 9 HB3 CYS 9 -0.772 3.775 -1.880
72 H GLU 10 H GLU 10 1.193 6.037 -1.395
73 HA GLU 10 HA GLU 10 2.302 5.553 -4.045
74 HB3 GLU 10 HB3 GLU 10 1.583 8.207 -2.800
75 HG3 GLU 10 HG3 GLU 10 0.955 8.383 -5.424
76 H ASP 11 H ASP 11 3.107 7.416 -1.126
77 HA ASP 11 HA ASP 11 5.503 8.521 -1.893
78 HB3 ASP 11 HB3 ASP 11 5.854 7.631 0.779
79 H VAL 12 H VAL 12 4.822 5.211 -0.988
80 HA VAL 12 HA VAL 12 7.666 4.537 -1.353
81 HB VAL 12 HB VAL 12 7.301 2.534 -0.093
82 HG11 VAL 12 HG11 VAL 12 6.038 4.943 1.201
83 HG12 VAL 12 HG12 VAL 12 6.475 3.475 2.078
84 HG13 VAL 12 HG13 VAL 12 7.725 4.436 1.284
85 HG21 VAL 12 HG21 VAL 12 4.534 3.001 -0.800
86 HG22 VAL 12 HG22 VAL 12 5.327 1.517 -0.271
87 HG23 VAL 12 HG23 VAL 12 4.716 2.665 0.921
88 H ASN 13 H ASN 13 4.603 4.327 -2.782
89 HA ASN 13 HA ASN 13 3.743 3.174 -4.552
90 HB3 ASN 13 HB3 ASN 13 5.086 3.159 -6.457
91 HD21 ASN 13 HD22 ASN 13 7.616 4.388 -4.404
92 HD22 ASN 13 HD21 ASN 13 7.375 6.060 -4.773
93 H GLY 14 H GLY 14 3.044 1.364 -3.335
94 HA2 GLY 14 HA2 GLY 14 4.798 -1.004 -3.539
95 HA3 GLY 14 HA3 GLY 14 3.551 -0.791 -2.318
96 H GLN 15 H GLN 15 3.244 -3.078 -3.350
97 HA GLN 15 HA GLN 15 1.470 -2.875 -5.681
98 HB3 GLN 15 HB3 GLN 15 1.879 -5.172 -6.103
99 HG3 GLN 15 HG3 GLN 15 4.509 -4.149 -5.061
100 HE21 GLN 15 HE22 GLN 15 4.709 -6.540 -4.693
101 HE22 GLN 15 HE21 GLN 15 5.249 -7.495 -6.028
102 H CYS 16 H CYS 16 -0.654 -3.137 -5.460
103 HA CYS 16 HA CYS 16 -1.774 -3.602 -2.855
104 HB3 CYS 16 HB3 CYS 16 -3.953 -3.301 -4.023
105 H GLN 17 H GLN 17 -1.238 -5.722 -2.316
106 HA GLN 17 HA GLN 17 -2.527 -7.809 -3.947
107 HB3 GLN 17 HB3 GLN 17 -0.795 -9.237 -3.551
108 HG3 GLN 17 HG3 GLN 17 0.895 -6.923 -2.758
109 HE21 GLN 17 HE22 GLN 17 1.532 -9.525 -2.388
110 HE22 GLN 17 HE21 GLN 17 2.686 -10.035 -3.568
111 HA PRO 18 HA PRO 18 -5.165 -8.925 -0.626
112 HB3 PRO 18 HB3 PRO 18 -6.004 -10.583 -1.975
113 HG3 PRO 18 HG3 PRO 18 -4.615 -11.797 -3.391
114 HD3 PRO 18 HD3 PRO 18 -3.972 -9.654 -3.945
115 H ARG 19 H ARG 19 -5.301 -10.765 1.192
116 HA ARG 19 HA ARG 19 -2.856 -10.443 2.745
117 HB3 ARG 19 HB3 ARG 19 -5.012 -9.877 3.783
118 HG3 ARG 19 HG3 ARG 19 -5.789 -12.683 4.175
119 HD3 ARG 19 HD3 ARG 19 -8.048 -11.629 3.842
120 HE ARG 19 HE ARG 19 -6.362 -11.252 6.059
121 HH11 ARG 19 HH11 ARG 19 -9.305 -10.010 4.674
122 HH12 ARG 19 HH12 ARG 19 -9.979 -9.542 6.201
123 HH21 ARG 19 HH22 ARG 19 -7.239 -10.639 8.074
124 HH22 ARG 19 HH21 ARG 19 -8.802 -9.899 8.133
125 H GLY 20 H GLY 20 -2.451 -12.174 0.669
126 HA2 GLY 20 HA2 GLY 20 -1.975 -14.670 2.123
127 HA3 GLY 20 HA3 GLY 20 -2.883 -14.769 0.622
128 H ASN 21 H ASN 21 -0.182 -12.600 1.281
129 HA ASN 21 HA ASN 21 1.435 -14.128 -0.649
130 HB3 ASN 21 HB3 ASN 21 1.195 -12.366 -2.031
131 HD21 ASN 21 HD22 ASN 21 -0.863 -11.679 -2.160
132 HD22 ASN 21 HD21 ASN 21 -1.511 -10.361 -1.249
133 HA PRO 22 HA PRO 22 4.578 -14.095 2.431
134 HB3 PRO 22 HB3 PRO 22 5.603 -15.735 1.190
135 HG3 PRO 22 HG3 PRO 22 5.508 -15.718 -1.133
136 HD3 PRO 22 HD3 PRO 22 3.274 -15.445 -0.643
137 H CYS 23 H CYS 23 4.405 -11.757 -0.078
138 HA CYS 23 HA CYS 23 6.701 -10.236 0.383
139 HB3 CYS 23 HB3 CYS 23 5.051 -9.967 -1.511
140 H LEU 24 H LEU 24 6.139 -7.730 1.091
141 HA LEU 24 HA LEU 24 5.494 -7.994 3.934
142 HB3 LEU 24 HB3 LEU 24 6.574 -5.490 2.733
143 HG LEU 24 HG LEU 24 6.307 -6.391 5.377
144 HD11 LEU 24 HD11 LEU 24 9.222 -6.018 4.830
145 HD12 LEU 24 HD12 LEU 24 8.496 -7.621 4.739
146 HD13 LEU 24 HD13 LEU 24 8.426 -6.708 6.246
147 HD21 LEU 24 HD21 LEU 24 7.974 -4.226 5.500
148 HD22 LEU 24 HD22 LEU 24 6.218 -4.157 5.338
149 HD23 LEU 24 HD23 LEU 24 7.239 -4.045 3.905
150 H ARG 25 H ARG 25 4.500 -5.905 4.895
151 HA ARG 25 HA ARG 25 2.240 -5.095 3.185
152 HB3 ARG 25 HB3 ARG 25 1.606 -6.578 5.075
153 HG3 ARG 25 HG3 ARG 25 1.487 -5.301 7.330
154 HD3 ARG 25 HD3 ARG 25 4.194 -6.051 7.350
155 HE ARG 25 HE ARG 25 1.738 -7.200 8.310
156 HH11 ARG 25 HH11 ARG 25 5.175 -7.643 7.968
157 HH12 ARG 25 HH12 ARG 25 5.294 -8.761 9.287
158 HH21 ARG 25 HH22 ARG 25 1.883 -8.670 10.048
159 HH22 ARG 25 HH21 ARG 25 3.420 -9.345 10.468
160 H LEU 26 H LEU 26 1.330 -2.969 3.640
161 HA LEU 26 HA LEU 26 3.274 -1.105 4.828
162 HB3 LEU 26 HB3 LEU 26 2.238 0.481 2.980
163 HG LEU 26 HG LEU 26 4.577 -1.314 2.798
164 HD11 LEU 26 HD11 LEU 26 4.957 -0.310 0.443
165 HD12 LEU 26 HD12 LEU 26 3.201 -0.162 0.405
166 HD13 LEU 26 HD13 LEU 26 3.947 -1.746 0.614
167 HD21 LEU 26 HD21 LEU 26 4.999 0.763 3.769
168 HD22 LEU 26 HD22 LEU 26 3.999 1.621 2.597
169 HD23 LEU 26 HD23 LEU 26 5.558 0.958 2.107
170 H ARG 27 H ARG 27 0.075 -0.708 3.326
171 HA ARG 27 HA ARG 27 -1.203 -0.220 5.857
172 HB3 ARG 27 HB3 ARG 27 -1.957 2.122 4.899
173 HG3 ARG 27 HG3 ARG 27 -0.219 1.397 6.884
174 HD3 ARG 27 HD3 ARG 27 1.171 3.605 5.423
175 HE ARG 27 HE ARG 27 1.641 2.295 7.852
176 HH11 ARG 27 HH11 ARG 27 3.365 3.327 5.009
177 HH12 ARG 27 HH12 ARG 27 4.872 3.538 5.840
178 HH21 ARG 27 HH22 ARG 27 3.618 2.568 8.956
179 HH22 ARG 27 HH21 ARG 27 5.014 3.105 8.085
180 H GLY 28 H GLY 28 -3.505 0.856 5.284
181 HA2 GLY 28 HA2 GLY 28 -4.652 -0.979 3.320
182 HA3 GLY 28 HA3 GLY 28 -5.538 -0.077 4.540
183 H ALA 29 H ALA 29 -3.240 1.746 2.800
184 HA ALA 29 HA ALA 29 -5.102 3.569 1.802
185 HB1 ALA 29 HB1 ALA 29 -2.255 3.210 1.712
186 HB2 ALA 29 HB2 ALA 29 -2.855 3.742 0.139
187 HB3 ALA 29 HB3 ALA 29 -3.202 4.694 1.583
188 H CYS 30 H CYS 30 -4.109 0.517 0.579
189 HA CYS 30 HA CYS 30 -4.691 0.948 -2.170
190 HB3 CYS 30 HB3 CYS 30 -5.005 -1.704 -1.947
191 HA PRO 31 HA PRO 31 -9.054 0.579 -2.414
192 HB3 PRO 31 HB3 PRO 31 -8.851 0.640 -4.701
193 HG3 PRO 31 HG3 PRO 31 -7.111 -0.463 -5.780
194 HD3 PRO 31 HD3 PRO 31 -5.919 0.691 -4.179
195 H ARG 32 H ARG 32 -10.861 -0.770 -2.035
196 HA ARG 32 HA ARG 32 -10.566 -2.801 -0.208
197 HB3 ARG 32 HB3 ARG 32 -12.697 -1.749 -0.489
198 HG3 ARG 32 HG3 ARG 32 -13.980 -2.786 -2.648
199 HD3 ARG 32 HD3 ARG 32 -12.563 -0.230 -3.102
200 HE ARG 32 HE ARG 32 -15.125 -1.278 -3.707
201 HH11 ARG 32 HH11 ARG 32 -13.479 1.686 -2.922
202 HH12 ARG 32 HH12 ARG 32 -14.618 2.692 -3.755
203 HH21 ARG 32 HH22 ARG 32 -16.632 0.034 -4.808
204 HH22 ARG 32 HH21 ARG 32 -16.411 1.750 -4.827
205 H GLY 33 H GLY 33 -10.748 -5.078 -0.297
206 HA2 GLY 33 HA2 GLY 33 -10.774 -7.172 -1.378
207 HA3 GLY 33 HA3 GLY 33 -10.519 -6.356 -2.914
208 H SER 34 H SER 34 -8.300 -4.765 -1.594
209 HA SER 34 HA SER 34 -6.282 -6.837 -1.201
210 HB3 SER 34 HB3 SER 34 -5.889 -6.645 -3.471
211 HG SER 34 HG SER 34 -6.922 -4.069 -3.150
212 H ARG 35 H ARG 35 -4.089 -5.748 -0.737
213 HA ARG 35 HA ARG 35 -4.435 -3.191 0.653
214 HB3 ARG 35 HB3 ARG 35 -4.737 -4.851 2.380
215 HG3 ARG 35 HG3 ARG 35 -2.474 -6.192 2.857
216 HD3 ARG 35 HD3 ARG 35 -3.560 -8.165 1.959
217 HE ARG 35 HE ARG 35 -4.754 -6.661 3.827
218 HH11 ARG 35 HH11 ARG 35 -6.028 -8.480 1.146
219 HH12 ARG 35 HH12 ARG 35 -7.536 -8.825 1.927
220 HH21 ARG 35 HH22 ARG 35 -6.734 -7.109 4.867
221 HH22 ARG 35 HH21 ARG 35 -7.937 -8.043 4.044
222 H CYS 36 H CYS 36 -2.436 -2.078 1.099
223 HA CYS 36 HA CYS 36 -0.586 -2.266 -1.047
224 HB3 CYS 36 HB3 CYS 36 0.144 -0.752 1.409
225 H CYS 37 H CYS 37 1.007 -3.680 -1.241
226 HA CYS 37 HA CYS 37 2.330 -4.657 1.207
227 HB3 CYS 37 HB3 CYS 37 1.087 -6.112 -0.952
228 H MET 38 H MET 38 4.508 -4.558 1.302
229 HA MET 38 HA MET 38 5.873 -3.019 -0.712
230 HB3 MET 38 HB3 MET 38 7.728 -4.070 1.155
231 HG3 MET 38 HG3 MET 38 7.121 -1.610 2.143
232 HE1 MET 38 HE1 MET 38 9.171 -2.816 2.737
233 HE2 MET 38 HE2 MET 38 10.139 -3.618 1.499
234 HE3 MET 38 HE3 MET 38 10.689 -2.095 2.199
235 HA PRO 39 HA PRO 39 7.350 -6.452 -3.069
236 HB3 PRO 39 HB3 PRO 39 7.571 -4.960 -4.802
237 HG3 PRO 39 HG3 PRO 39 8.142 -2.740 -4.408
238 HD3 PRO 39 HD3 PRO 39 6.414 -2.978 -2.901
239 H THR 40 H THR 40 9.612 -7.340 -3.714
240 HA THR 40 HA THR 40 11.151 -7.572 -1.239
241 HB THR 40 HB THR 40 11.491 -9.218 -3.747
242 HG1 THR 40 HG1 THR 40 10.053 -10.679 -2.814
243 HG21 THR 40 HG21 THR 40 12.819 -10.617 -2.510
244 HG22 THR 40 HG22 THR 40 12.029 -10.203 -0.990
245 HG23 THR 40 HG23 THR 40 13.184 -9.086 -1.715
246 H VAL 41 H VAL 41 11.940 -5.303 -1.753
247 HA VAL 41 HA VAL 41 14.379 -5.499 -3.395
248 HB VAL 41 HB VAL 41 14.145 -3.137 -3.996
249 HG11 VAL 41 HG11 VAL 41 12.961 -3.666 -5.817
250 HG12 VAL 41 HG12 VAL 41 12.788 -5.258 -5.078
251 HG13 VAL 41 HG13 VAL 41 11.520 -4.049 -4.878
252 HG21 VAL 41 HG21 VAL 41 11.554 -3.337 -2.475
253 HG22 VAL 41 HG22 VAL 41 12.914 -2.262 -2.152
254 HG23 VAL 41 HG23 VAL 41 11.929 -2.030 -3.596
255 H ALA 42 H ALA 42 15.778 -3.395 -2.825
256 HA ALA 42 HA ALA 42 15.706 -2.741 -0.004
257 HB1 ALA 42 HB1 ALA 42 18.063 -3.504 0.347
258 HB2 ALA 42 HB2 ALA 42 16.889 -4.805 0.152
259 HB3 ALA 42 HB3 ALA 42 17.949 -4.366 -1.188
260 H ALA 43 H ALA 43 15.367 -0.657 -1.010
261 HA ALA 43 HA ALA 43 17.862 0.528 -2.045
262 HB1 ALA 43 HB1 ALA 43 16.134 0.487 -3.753
263 HB2 ALA 43 HB2 ALA 43 15.021 1.328 -2.674
264 HB3 ALA 43 HB3 ALA 43 16.471 2.146 -3.256
265 H HIS 44 H HIS 44 18.787 1.905 -0.693
266 HA HIS 44 HA HIS 44 19.124 3.320 1.062
267 HB3 HIS 44 HB3 HIS 44 16.733 4.831 1.102
268 HD1 HIS 44 HD1 HIS 44 17.701 7.028 1.637
269 HD2 HIS 44 HD2 HIS 44 20.011 4.974 -1.138
270 HE1 HIS 44 HE1 HIS 44 19.636 8.548 1.117
Start of MODEL 14
1 H1 ARG 1 H1 ARG 1 -2.986 6.338 -3.050
2 HA ARG 1 HA ARG 1 -2.947 4.050 -4.858
3 HB3 ARG 1 HB3 ARG 1 -5.321 5.552 -5.192
4 HG3 ARG 1 HG3 ARG 1 -6.136 3.598 -3.562
5 HD3 ARG 1 HD3 ARG 1 -5.913 2.102 -5.713
6 HE ARG 1 HE ARG 1 -7.764 4.090 -5.034
7 HH11 ARG 1 HH11 ARG 1 -6.666 2.312 -7.818
8 HH12 ARG 1 HH12 ARG 1 -8.187 2.408 -8.642
9 HH21 ARG 1 HH22 ARG 1 -9.772 4.223 -6.108
10 HH22 ARG 1 HH21 ARG 1 -9.951 3.496 -7.669
11 H ARG 2 H ARG 2 -3.914 7.473 -5.171
12 HA ARG 2 HA ARG 2 -2.625 7.499 -7.817
13 HB3 ARG 2 HB3 ARG 2 -4.985 9.236 -7.492
14 HG3 ARG 2 HG3 ARG 2 -5.186 7.472 -9.699
15 HD3 ARG 2 HD3 ARG 2 -5.941 9.857 -9.479
16 HE ARG 2 HE ARG 2 -4.270 11.328 -8.986
17 HH11 ARG 2 HH11 ARG 2 -3.111 9.086 -11.382
18 HH12 ARG 2 HH12 ARG 2 -1.605 9.911 -11.616
19 HH21 ARG 2 HH22 ARG 2 -2.292 12.424 -9.285
20 HH22 ARG 2 HH21 ARG 2 -1.140 11.809 -10.421
21 H ARG 3 H ARG 3 -4.153 9.695 -5.452
22 HA ARG 3 HA ARG 3 -1.787 11.164 -4.973
23 HB3 ARG 3 HB3 ARG 3 -3.801 12.665 -6.640
24 HG3 ARG 3 HG3 ARG 3 -0.938 13.400 -6.505
25 HD3 ARG 3 HD3 ARG 3 -2.424 15.646 -6.155
26 HE ARG 3 HE ARG 3 -0.891 14.747 -8.181
27 HH11 ARG 3 HH11 ARG 3 -4.025 16.256 -8.074
28 HH12 ARG 3 HH12 ARG 3 -3.854 17.024 -9.619
29 HH21 ARG 3 HH22 ARG 3 -0.653 15.750 -10.216
30 HH22 ARG 3 HH21 ARG 3 -1.935 16.734 -10.837
31 H ARG 4 H ARG 4 -3.494 10.069 -3.227
32 HA ARG 4 HA ARG 4 -5.369 12.101 -2.309
33 HB3 ARG 4 HB3 ARG 4 -4.738 9.434 -1.043
34 HG3 ARG 4 HG3 ARG 4 -6.497 11.547 -0.298
35 HD3 ARG 4 HD3 ARG 4 -7.882 8.939 -0.908
36 HE ARG 4 HE ARG 4 -8.618 10.810 0.930
37 HH11 ARG 4 HH11 ARG 4 -9.962 9.656 -2.066
38 HH12 ARG 4 HH12 ARG 4 -11.604 9.957 -1.596
39 HH21 ARG 4 HH22 ARG 4 -10.774 11.210 1.561
40 HH22 ARG 4 HH21 ARG 4 -12.063 10.841 0.468
41 H ARG 5 H ARG 5 -3.900 13.737 -1.698
42 HA ARG 5 HA ARG 5 -2.542 14.894 -0.285
43 HB3 ARG 5 HB3 ARG 5 -2.665 14.173 2.146
44 HG3 ARG 5 HG3 ARG 5 -4.477 15.564 0.731
45 HD3 ARG 5 HD3 ARG 5 -6.453 14.015 2.132
46 HE ARG 5 HE ARG 5 -6.620 14.265 -0.733
47 HH11 ARG 5 HH11 ARG 5 -7.033 15.868 2.329
48 HH12 ARG 5 HH12 ARG 5 -8.151 17.040 1.712
49 HH21 ARG 5 HH22 ARG 5 -8.089 15.803 -1.557
50 HH22 ARG 5 HH21 ARG 5 -8.751 17.003 -0.499
51 H ARG 6 H ARG 6 -1.375 12.720 -1.807
52 HA ARG 6 HA ARG 6 0.595 11.604 -2.019
53 HB3 ARG 6 HB3 ARG 6 2.509 12.431 -0.696
54 HG3 ARG 6 HG3 ARG 6 0.677 14.373 -2.005
55 HD3 ARG 6 HD3 ARG 6 2.585 16.049 -1.743
56 HE ARG 6 HE ARG 6 0.494 15.537 0.137
57 HH11 ARG 6 HH11 ARG 6 3.267 17.534 -0.525
58 HH12 ARG 6 HH12 ARG 6 2.702 18.863 0.435
59 HH21 ARG 6 HH22 ARG 6 -0.260 17.278 1.403
60 HH22 ARG 6 HH21 ARG 6 0.697 18.715 1.532
61 HA PRO 7 HA PRO 7 -0.632 8.763 1.451
62 HB3 PRO 7 HB3 PRO 7 -2.377 7.893 0.233
63 HG3 PRO 7 HG3 PRO 7 -2.401 8.025 -2.088
64 HD3 PRO 7 HD3 PRO 7 -1.939 10.224 -1.571
65 HA PRO 8 HA PRO 8 3.146 6.525 1.661
66 HB3 PRO 8 HB3 PRO 8 2.402 5.595 3.625
67 HG3 PRO 8 HG3 PRO 8 0.181 4.956 3.884
68 HD3 PRO 8 HD3 PRO 8 -0.114 7.097 3.082
69 H CYS 9 H CYS 9 0.574 4.396 0.395
70 HA CYS 9 HA CYS 9 2.192 2.598 -0.965
71 HB3 CYS 9 HB3 CYS 9 -0.293 3.206 -2.381
72 H GLU 10 H GLU 10 1.333 5.850 -1.766
73 HA GLU 10 HA GLU 10 2.050 5.635 -4.549
74 HB3 GLU 10 HB3 GLU 10 1.505 8.039 -2.802
75 HG3 GLU 10 HG3 GLU 10 0.986 8.608 -5.507
76 H ASP 11 H ASP 11 3.417 7.446 -1.794
77 HA ASP 11 HA ASP 11 5.742 8.325 -2.991
78 HB3 ASP 11 HB3 ASP 11 6.495 7.704 -0.371
79 H VAL 12 H VAL 12 5.519 5.448 -0.887
80 HA VAL 12 HA VAL 12 8.068 4.463 -1.707
81 HB VAL 12 HB VAL 12 7.576 2.505 -0.387
82 HG11 VAL 12 HG11 VAL 12 6.863 3.627 1.771
83 HG12 VAL 12 HG12 VAL 12 8.250 4.335 0.942
84 HG13 VAL 12 HG13 VAL 12 6.664 5.101 0.824
85 HG21 VAL 12 HG21 VAL 12 5.516 1.668 -0.376
86 HG22 VAL 12 HG22 VAL 12 5.035 2.983 0.695
87 HG23 VAL 12 HG23 VAL 12 4.858 3.160 -1.051
88 H ASN 13 H ASN 13 5.079 4.468 -3.207
89 HA ASN 13 HA ASN 13 4.185 3.380 -4.996
90 HB3 ASN 13 HB3 ASN 13 5.814 2.484 -6.657
91 HD21 ASN 13 HD22 ASN 13 7.968 4.708 -5.232
92 HD22 ASN 13 HD21 ASN 13 7.478 6.105 -6.123
93 H GLY 14 H GLY 14 3.724 1.963 -2.811
94 HA2 GLY 14 HA2 GLY 14 4.764 -0.714 -2.939
95 HA3 GLY 14 HA3 GLY 14 3.466 -0.147 -1.899
96 H GLN 15 H GLN 15 3.304 -2.617 -3.068
97 HA GLN 15 HA GLN 15 1.589 -2.338 -5.413
98 HB3 GLN 15 HB3 GLN 15 1.617 -4.993 -4.957
99 HG3 GLN 15 HG3 GLN 15 4.024 -3.667 -6.163
100 HE21 GLN 15 HE22 GLN 15 1.603 -5.820 -7.500
101 HE22 GLN 15 HE21 GLN 15 2.658 -7.166 -7.740
102 H CYS 16 H CYS 16 -0.426 -3.684 -5.467
103 HA CYS 16 HA CYS 16 -1.793 -3.567 -2.858
104 HB3 CYS 16 HB3 CYS 16 -3.893 -3.261 -4.301
105 H GLN 17 H GLN 17 -2.125 -5.547 -2.103
106 HA GLN 17 HA GLN 17 -3.477 -7.512 -3.720
107 HB3 GLN 17 HB3 GLN 17 -1.611 -8.558 -4.399
108 HG3 GLN 17 HG3 GLN 17 -0.018 -7.254 -2.204
109 HE21 GLN 17 HE22 GLN 17 1.004 -9.340 -1.949
110 HE22 GLN 17 HE21 GLN 17 2.207 -9.841 -3.083
111 HA PRO 18 HA PRO 18 -5.130 -8.818 0.125
112 HB3 PRO 18 HB3 PRO 18 -6.373 -10.371 -1.027
113 HG3 PRO 18 HG3 PRO 18 -5.471 -11.529 -2.830
114 HD3 PRO 18 HD3 PRO 18 -4.918 -9.374 -3.427
115 H ARG 19 H ARG 19 -4.840 -10.748 1.820
116 HA ARG 19 HA ARG 19 -2.105 -10.518 2.736
117 HB3 ARG 19 HB3 ARG 19 -4.026 -10.236 4.281
118 HG3 ARG 19 HG3 ARG 19 -4.448 -13.080 4.699
119 HD3 ARG 19 HD3 ARG 19 -6.431 -10.873 4.187
120 HE ARG 19 HE ARG 19 -6.885 -13.517 4.759
121 HH11 ARG 19 HH11 ARG 19 -7.570 -10.473 6.300
122 HH12 ARG 19 HH12 ARG 19 -9.018 -11.037 7.067
123 HH21 ARG 19 HH22 ARG 19 -8.787 -14.275 5.764
124 HH22 ARG 19 HH21 ARG 19 -9.708 -13.200 6.763
125 H GLY 20 H GLY 20 -3.479 -12.481 0.574
126 HA2 GLY 20 HA2 GLY 20 -2.299 -14.981 1.527
127 HA3 GLY 20 HA3 GLY 20 -3.314 -14.787 0.105
128 H ASN 21 H ASN 21 -0.273 -13.263 1.174
129 HA ASN 21 HA ASN 21 1.202 -14.499 -0.972
130 HB3 ASN 21 HB3 ASN 21 0.614 -12.858 -2.441
131 HD21 ASN 21 HD22 ASN 21 -1.358 -12.014 -2.436
132 HD22 ASN 21 HD21 ASN 21 -1.861 -10.654 -1.495
133 HA PRO 22 HA PRO 22 4.564 -13.913 1.785
134 HB3 PRO 22 HB3 PRO 22 5.808 -15.227 0.370
135 HG3 PRO 22 HG3 PRO 22 5.553 -15.081 -1.937
136 HD3 PRO 22 HD3 PRO 22 3.346 -15.301 -1.308
137 H CYS 23 H CYS 23 3.779 -11.508 -0.541
138 HA CYS 23 HA CYS 23 5.708 -9.575 -0.213
139 HB3 CYS 23 HB3 CYS 23 2.796 -8.837 -0.274
140 H LEU 24 H LEU 24 5.931 -7.758 1.150
141 HA LEU 24 HA LEU 24 5.349 -8.297 3.900
142 HB3 LEU 24 HB3 LEU 24 6.243 -5.709 3.832
143 HG LEU 24 HG LEU 24 7.907 -8.220 3.822
144 HD11 LEU 24 HD11 LEU 24 8.777 -5.570 3.344
145 HD12 LEU 24 HD12 LEU 24 9.753 -7.014 3.617
146 HD13 LEU 24 HD13 LEU 24 9.268 -6.008 4.981
147 HD21 LEU 24 HD21 LEU 24 8.111 -7.746 6.208
148 HD22 LEU 24 HD22 LEU 24 6.422 -7.933 5.736
149 HD23 LEU 24 HD23 LEU 24 7.085 -6.324 6.019
150 H ARG 25 H ARG 25 4.624 -6.210 5.222
151 HA ARG 25 HA ARG 25 2.082 -5.325 4.023
152 HB3 ARG 25 HB3 ARG 25 2.492 -5.363 6.982
153 HG3 ARG 25 HG3 ARG 25 0.109 -6.108 6.928
154 HD3 ARG 25 HD3 ARG 25 -0.133 -3.655 5.424
155 HE ARG 25 HE ARG 25 -0.341 -3.562 8.287
156 HH11 ARG 25 HH11 ARG 25 -1.901 -4.560 5.339
157 HH12 ARG 25 HH12 ARG 25 -3.495 -4.518 6.015
158 HH21 ARG 25 HH22 ARG 25 -2.436 -3.502 9.188
159 HH22 ARG 25 HH21 ARG 25 -3.799 -3.915 8.203
160 H LEU 26 H LEU 26 1.584 -3.191 4.032
161 HA LEU 26 HA LEU 26 3.524 -1.367 5.294
162 HB3 LEU 26 HB3 LEU 26 2.523 0.157 3.325
163 HG LEU 26 HG LEU 26 4.929 -1.564 3.385
164 HD11 LEU 26 HD11 LEU 26 5.536 -1.189 1.123
165 HD12 LEU 26 HD12 LEU 26 4.122 -0.176 0.840
166 HD13 LEU 26 HD13 LEU 26 3.925 -1.909 1.107
167 HD21 LEU 26 HD21 LEU 26 4.231 1.325 3.173
168 HD22 LEU 26 HD22 LEU 26 5.798 0.780 2.576
169 HD23 LEU 26 HD23 LEU 26 5.355 0.511 4.263
170 H ARG 27 H ARG 27 0.369 -0.935 3.702
171 HA ARG 27 HA ARG 27 -0.936 -0.260 6.174
172 HB3 ARG 27 HB3 ARG 27 -1.581 2.054 5.090
173 HG3 ARG 27 HG3 ARG 27 0.118 1.364 7.126
174 HD3 ARG 27 HD3 ARG 27 1.576 3.451 5.552
175 HE ARG 27 HE ARG 27 1.967 2.397 8.083
176 HH11 ARG 27 HH11 ARG 27 3.814 2.858 5.168
177 HH12 ARG 27 HH12 ARG 27 5.328 3.015 5.997
178 HH21 ARG 27 HH22 ARG 27 3.955 2.603 9.185
179 HH22 ARG 27 HH21 ARG 27 5.407 2.869 8.282
180 H GLY 28 H GLY 28 -3.163 0.952 5.426
181 HA2 GLY 28 HA2 GLY 28 -4.381 -0.999 3.627
182 HA3 GLY 28 HA3 GLY 28 -5.234 0.111 4.691
183 H ALA 29 H ALA 29 -2.690 1.320 2.678
184 HA ALA 29 HA ALA 29 -4.511 3.098 1.349
185 HB1 ALA 29 HB1 ALA 29 -2.286 3.648 0.072
186 HB2 ALA 29 HB2 ALA 29 -2.517 4.155 1.746
187 HB3 ALA 29 HB3 ALA 29 -1.556 2.720 1.384
188 H CYS 30 H CYS 30 -5.587 0.906 0.571
189 HA CYS 30 HA CYS 30 -4.972 0.732 -2.254
190 HB3 CYS 30 HB3 CYS 30 -5.166 -1.896 -1.930
191 HA PRO 31 HA PRO 31 -9.304 0.195 -2.679
192 HB3 PRO 31 HB3 PRO 31 -8.990 0.175 -4.954
193 HG3 PRO 31 HG3 PRO 31 -7.156 -0.892 -5.904
194 HD3 PRO 31 HD3 PRO 31 -6.091 0.370 -4.297
195 H ARG 32 H ARG 32 -11.082 -1.250 -2.409
196 HA ARG 32 HA ARG 32 -10.818 -3.172 -0.458
197 HB3 ARG 32 HB3 ARG 32 -13.070 -3.834 -0.938
198 HG3 ARG 32 HG3 ARG 32 -12.443 -1.212 -0.537
199 HD3 ARG 32 HD3 ARG 32 -12.873 -1.032 -3.108
200 HE ARG 32 HE ARG 32 -15.012 -1.720 -3.574
201 HH11 ARG 32 HH11 ARG 32 -15.038 0.354 -0.778
202 HH12 ARG 32 HH12 ARG 32 -16.766 0.480 -0.725
203 HH21 ARG 32 HH22 ARG 32 -17.289 -1.562 -3.514
204 HH22 ARG 32 HH21 ARG 32 -18.044 -0.612 -2.281
205 H GLY 33 H GLY 33 -10.663 -5.404 -0.402
206 HA2 GLY 33 HA2 GLY 33 -10.399 -7.563 -1.256
207 HA3 GLY 33 HA3 GLY 33 -10.437 -6.899 -2.882
208 H SER 34 H SER 34 -8.332 -4.963 -1.386
209 HA SER 34 HA SER 34 -6.023 -6.733 -1.505
210 HB3 SER 34 HB3 SER 34 -5.440 -6.109 -3.579
211 HG SER 34 HG SER 34 -7.432 -4.094 -3.385
212 H ARG 35 H ARG 35 -3.989 -5.522 -0.892
213 HA ARG 35 HA ARG 35 -4.486 -3.171 0.770
214 HB3 ARG 35 HB3 ARG 35 -4.683 -5.368 2.108
215 HG3 ARG 35 HG3 ARG 35 -1.858 -5.378 2.693
216 HD3 ARG 35 HD3 ARG 35 -2.443 -7.893 1.995
217 HE ARG 35 HE ARG 35 -3.654 -7.170 4.508
218 HH11 ARG 35 HH11 ARG 35 -0.674 -7.681 2.782
219 HH12 ARG 35 HH12 ARG 35 0.252 -7.997 4.211
220 HH21 ARG 35 HH22 ARG 35 -2.445 -7.583 6.398
221 HH22 ARG 35 HH21 ARG 35 -0.756 -7.941 6.267
222 H CYS 36 H CYS 36 -2.538 -2.041 1.384
223 HA CYS 36 HA CYS 36 -0.622 -1.973 -0.718
224 HB3 CYS 36 HB3 CYS 36 -0.304 -0.638 1.966
225 H CYS 37 H CYS 37 0.741 -3.644 -0.938
226 HA CYS 37 HA CYS 37 2.090 -4.685 1.456
227 HB3 CYS 37 HB3 CYS 37 0.797 -6.132 -0.360
228 H MET 38 H MET 38 4.331 -4.864 1.541
229 HA MET 38 HA MET 38 5.748 -3.007 -0.212
230 HB3 MET 38 HB3 MET 38 6.922 -4.403 2.180
231 HG3 MET 38 HG3 MET 38 7.692 -2.169 0.473
232 HE1 MET 38 HE1 MET 38 9.670 -2.686 3.272
233 HE2 MET 38 HE2 MET 38 10.176 -0.998 3.199
234 HE3 MET 38 HE3 MET 38 9.244 -1.580 4.579
235 HA PRO 39 HA PRO 39 7.354 -6.432 -2.548
236 HB3 PRO 39 HB3 PRO 39 7.282 -5.025 -4.361
237 HG3 PRO 39 HG3 PRO 39 7.583 -2.731 -4.112
238 HD3 PRO 39 HD3 PRO 39 5.987 -3.101 -2.490
239 H THR 40 H THR 40 9.723 -6.965 -3.350
240 HA THR 40 HA THR 40 11.375 -6.971 -0.942
241 HB THR 40 HB THR 40 12.768 -8.556 -2.585
242 HG1 THR 40 HG1 THR 40 11.588 -9.375 -4.181
243 HG21 THR 40 HG21 THR 40 11.872 -10.363 -1.436
244 HG22 THR 40 HG22 THR 40 10.245 -9.682 -1.428
245 HG23 THR 40 HG23 THR 40 11.487 -9.012 -0.369
246 H VAL 41 H VAL 41 11.948 -4.690 -1.243
247 HA VAL 41 HA VAL 41 14.187 -4.405 -3.135
248 HB VAL 41 HB VAL 41 13.619 -1.970 -3.279
249 HG11 VAL 41 HG11 VAL 41 12.428 -2.334 -5.161
250 HG12 VAL 41 HG12 VAL 41 12.763 -4.029 -4.796
251 HG13 VAL 41 HG13 VAL 41 11.218 -3.315 -4.334
252 HG21 VAL 41 HG21 VAL 41 12.028 -1.092 -2.001
253 HG22 VAL 41 HG22 VAL 41 10.835 -2.188 -2.693
254 HG23 VAL 41 HG23 VAL 41 11.759 -2.675 -1.272
255 H ALA 42 H ALA 42 15.446 -2.270 -2.460
256 HA ALA 42 HA ALA 42 15.748 -2.228 0.463
257 HB1 ALA 42 HB1 ALA 42 18.270 -1.958 -0.984
258 HB2 ALA 42 HB2 ALA 42 17.877 -2.915 0.445
259 HB3 ALA 42 HB3 ALA 42 17.513 -3.541 -1.163
260 H ALA 43 H ALA 43 15.491 -0.221 1.167
261 HA ALA 43 HA ALA 43 16.844 1.984 -0.119
262 HB1 ALA 43 HB1 ALA 43 14.918 3.323 -0.567
263 HB2 ALA 43 HB2 ALA 43 14.687 1.764 -1.361
264 HB3 ALA 43 HB3 ALA 43 13.846 2.117 0.148
265 H HIS 44 H HIS 44 17.431 1.018 2.304
266 HA HIS 44 HA HIS 44 15.950 2.200 4.433
267 HB3 HIS 44 HB3 HIS 44 18.527 1.737 5.391
268 HD1 HIS 44 HD1 HIS 44 15.518 -0.425 4.495
269 HD2 HIS 44 HD2 HIS 44 17.926 0.552 7.737
270 HE1 HIS 44 HE1 HIS 44 14.533 -1.652 6.458
Start of MODEL 15
1 H1 ARG 1 H1 ARG 1 -5.096 7.132 -2.994
2 HA ARG 1 HA ARG 1 -3.122 5.509 -3.239
3 HB3 ARG 1 HB3 ARG 1 -5.354 4.951 -4.102
4 HG3 ARG 1 HG3 ARG 1 -4.636 5.837 -6.837
5 HD3 ARG 1 HD3 ARG 1 -7.329 6.312 -6.106
6 HE ARG 1 HE ARG 1 -5.990 4.889 -8.111
7 HH11 ARG 1 HH11 ARG 1 -8.977 4.794 -6.325
8 HH12 ARG 1 HH12 ARG 1 -9.867 4.031 -7.601
9 HH21 ARG 1 HH22 ARG 1 -7.151 3.885 -9.797
10 HH22 ARG 1 HH21 ARG 1 -8.827 3.512 -9.575
11 H ARG 2 H ARG 2 -3.484 8.210 -5.433
12 HA ARG 2 HA ARG 2 -0.818 7.604 -6.532
13 HB3 ARG 2 HB3 ARG 2 -2.729 9.280 -8.086
14 HG3 ARG 2 HG3 ARG 2 -0.840 7.118 -8.984
15 HD3 ARG 2 HD3 ARG 2 -1.041 8.674 -11.088
16 HE ARG 2 HE ARG 2 -2.671 6.432 -10.319
17 HH11 ARG 2 HH11 ARG 2 -1.973 8.753 -12.818
18 HH12 ARG 2 HH12 ARG 2 -2.593 7.759 -14.094
19 HH21 ARG 2 HH22 ARG 2 -3.490 5.114 -11.992
20 HH22 ARG 2 HH21 ARG 2 -3.457 5.690 -13.623
21 H ARG 3 H ARG 3 -3.080 10.361 -6.351
22 HA ARG 3 HA ARG 3 -0.858 11.991 -5.313
23 HB3 ARG 3 HB3 ARG 3 -2.999 13.194 -7.028
24 HG3 ARG 3 HG3 ARG 3 -0.328 13.973 -6.067
25 HD3 ARG 3 HD3 ARG 3 -0.389 15.634 -8.116
26 HE ARG 3 HE ARG 3 0.798 13.162 -8.955
27 HH11 ARG 3 HH11 ARG 3 1.043 15.826 -6.727
28 HH12 ARG 3 HH12 ARG 3 2.750 15.644 -6.495
29 HH21 ARG 3 HH22 ARG 3 3.046 12.911 -8.657
30 HH22 ARG 3 HH21 ARG 3 3.889 13.986 -7.594
31 H ARG 4 H ARG 4 -3.044 10.558 -3.947
32 HA ARG 4 HA ARG 4 -4.940 12.528 -3.081
33 HB3 ARG 4 HB3 ARG 4 -5.236 10.648 -1.226
34 HG3 ARG 4 HG3 ARG 4 -6.147 9.367 -3.601
35 HD3 ARG 4 HD3 ARG 4 -7.239 10.701 -1.211
36 HE ARG 4 HE ARG 4 -8.541 11.295 -3.557
37 HH11 ARG 4 HH11 ARG 4 -9.277 9.532 -0.646
38 HH12 ARG 4 HH12 ARG 4 -10.975 9.867 -0.716
39 HH21 ARG 4 HH22 ARG 4 -10.776 11.743 -3.661
40 HH22 ARG 4 HH21 ARG 4 -11.826 11.125 -2.432
41 H ARG 5 H ARG 5 -3.049 14.045 -2.595
42 HA ARG 5 HA ARG 5 -1.882 15.251 -1.062
43 HB3 ARG 5 HB3 ARG 5 -3.214 13.607 1.082
44 HG3 ARG 5 HG3 ARG 5 -2.018 16.325 0.942
45 HD3 ARG 5 HD3 ARG 5 -3.257 16.990 2.945
46 HE ARG 5 HE ARG 5 -5.468 16.512 1.175
47 HH11 ARG 5 HH11 ARG 5 -2.550 18.343 1.676
48 HH12 ARG 5 HH12 ARG 5 -3.042 19.653 0.656
49 HH21 ARG 5 HH22 ARG 5 -6.127 18.231 -0.172
50 HH22 ARG 5 HH21 ARG 5 -5.077 19.590 -0.394
51 H ARG 6 H ARG 6 -0.554 13.097 -2.171
52 HA ARG 6 HA ARG 6 1.274 11.764 -1.924
53 HB3 ARG 6 HB3 ARG 6 2.622 12.445 0.291
54 HG3 ARG 6 HG3 ARG 6 2.554 14.605 -1.734
55 HD3 ARG 6 HD3 ARG 6 4.452 13.298 0.050
56 HE ARG 6 HE ARG 6 5.830 12.572 -1.625
57 HH11 ARG 6 HH11 ARG 6 4.457 15.641 -2.528
58 HH12 ARG 6 HH12 ARG 6 5.448 15.817 -3.940
59 HH21 ARG 6 HH22 ARG 6 7.140 12.792 -3.478
60 HH22 ARG 6 HH21 ARG 6 6.974 14.195 -4.479
61 HA PRO 7 HA PRO 7 -0.983 9.085 1.133
62 HB3 PRO 7 HB3 PRO 7 -2.461 8.358 -0.469
63 HG3 PRO 7 HG3 PRO 7 -1.924 8.464 -2.730
64 HD3 PRO 7 HD3 PRO 7 -1.404 10.619 -2.098
65 HA PRO 8 HA PRO 8 2.423 6.519 2.211
66 HB3 PRO 8 HB3 PRO 8 1.152 5.678 3.929
67 HG3 PRO 8 HG3 PRO 8 -1.114 5.240 3.643
68 HD3 PRO 8 HD3 PRO 8 -1.018 7.390 2.820
69 H CYS 9 H CYS 9 0.052 4.781 0.204
70 HA CYS 9 HA CYS 9 1.821 2.796 -0.725
71 HB3 CYS 9 HB3 CYS 9 -0.358 3.661 -2.537
72 H GLU 10 H GLU 10 1.605 6.103 -1.444
73 HA GLU 10 HA GLU 10 2.773 5.864 -4.095
74 HB3 GLU 10 HB3 GLU 10 1.986 8.244 -2.414
75 HG3 GLU 10 HG3 GLU 10 3.857 8.934 -3.785
76 H ASP 11 H ASP 11 3.672 7.514 -1.060
77 HA ASP 11 HA ASP 11 6.254 8.216 -1.711
78 HB3 ASP 11 HB3 ASP 11 6.717 8.248 0.697
79 H VAL 12 H VAL 12 5.227 5.225 -0.066
80 HA VAL 12 HA VAL 12 7.858 4.071 -0.284
81 HB VAL 12 HB VAL 12 6.959 2.141 0.810
82 HG11 VAL 12 HG11 VAL 12 6.975 3.254 2.730
83 HG12 VAL 12 HG12 VAL 12 6.725 4.761 1.846
84 HG13 VAL 12 HG13 VAL 12 5.340 3.837 2.430
85 HG21 VAL 12 HG21 VAL 12 4.443 3.099 -0.336
86 HG22 VAL 12 HG22 VAL 12 4.951 1.463 0.084
87 HG23 VAL 12 HG23 VAL 12 4.306 2.533 1.328
88 H ASN 13 H ASN 13 5.153 4.312 -2.309
89 HA ASN 13 HA ASN 13 4.527 3.313 -4.258
90 HB3 ASN 13 HB3 ASN 13 6.434 2.594 -5.728
91 HD21 ASN 13 HD22 ASN 13 8.093 4.927 -3.839
92 HD22 ASN 13 HD21 ASN 13 7.642 6.318 -4.759
93 H GLY 14 H GLY 14 3.460 1.673 -2.839
94 HA2 GLY 14 HA2 GLY 14 4.769 -0.959 -2.957
95 HA3 GLY 14 HA3 GLY 14 3.417 -0.536 -1.916
96 H GLN 15 H GLN 15 2.931 -2.767 -3.047
97 HA GLN 15 HA GLN 15 1.286 -2.171 -5.417
98 HB3 GLN 15 HB3 GLN 15 1.722 -4.351 -6.285
99 HG3 GLN 15 HG3 GLN 15 4.405 -3.550 -5.213
100 HE21 GLN 15 HE22 GLN 15 5.069 -5.684 -5.619
101 HE22 GLN 15 HE21 GLN 15 5.286 -6.269 -7.230
102 H CYS 16 H CYS 16 -0.823 -2.608 -5.269
103 HA CYS 16 HA CYS 16 -1.988 -3.353 -2.810
104 HB3 CYS 16 HB3 CYS 16 -4.118 -3.433 -4.115
105 H GLN 17 H GLN 17 -1.503 -5.340 -2.036
106 HA GLN 17 HA GLN 17 -2.239 -7.640 -3.724
107 HB3 GLN 17 HB3 GLN 17 -0.453 -8.920 -2.846
108 HG3 GLN 17 HG3 GLN 17 1.076 -6.396 -2.912
109 HE21 GLN 17 HE22 GLN 17 2.101 -7.017 -5.497
110 HE22 GLN 17 HE21 GLN 17 3.064 -8.444 -5.342
111 HA PRO 18 HA PRO 18 -5.001 -8.926 -0.568
112 HB3 PRO 18 HB3 PRO 18 -5.639 -10.625 -1.979
113 HG3 PRO 18 HG3 PRO 18 -4.085 -11.710 -3.327
114 HD3 PRO 18 HD3 PRO 18 -3.578 -9.517 -3.823
115 H ARG 19 H ARG 19 -5.091 -10.814 1.213
116 HA ARG 19 HA ARG 19 -2.733 -10.360 2.878
117 HB3 ARG 19 HB3 ARG 19 -4.830 -9.823 3.926
118 HG3 ARG 19 HG3 ARG 19 -6.120 -12.239 4.386
119 HD3 ARG 19 HD3 ARG 19 -7.074 -10.392 2.251
120 HE ARG 19 HE ARG 19 -8.321 -12.051 4.226
121 HH11 ARG 19 HH11 ARG 19 -8.712 -9.221 2.237
122 HH12 ARG 19 HH12 ARG 19 -10.443 -9.301 2.235
123 HH21 ARG 19 HH22 ARG 19 -10.598 -12.169 4.230
124 HH22 ARG 19 HH21 ARG 19 -11.515 -10.979 3.369
125 H GLY 20 H GLY 20 -2.523 -12.205 0.693
126 HA2 GLY 20 HA2 GLY 20 -1.775 -14.584 2.229
127 HA3 GLY 20 HA3 GLY 20 -2.835 -14.802 0.845
128 H ASN 21 H ASN 21 0.086 -12.843 1.433
129 HA ASN 21 HA ASN 21 1.412 -14.283 -0.751
130 HB3 ASN 21 HB3 ASN 21 0.994 -12.477 -2.059
131 HD21 ASN 21 HD22 ASN 21 -0.790 -11.327 -2.101
132 HD22 ASN 21 HD21 ASN 21 -1.230 -10.089 -0.981
133 HA PRO 22 HA PRO 22 4.910 -14.329 1.903
134 HB3 PRO 22 HB3 PRO 22 5.888 -15.748 0.385
135 HG3 PRO 22 HG3 PRO 22 5.559 -15.469 -1.901
136 HD3 PRO 22 HD3 PRO 22 3.372 -15.398 -1.172
137 H CYS 23 H CYS 23 4.478 -11.771 -0.388
138 HA CYS 23 HA CYS 23 6.709 -10.177 0.174
139 HB3 CYS 23 HB3 CYS 23 5.015 -9.861 -1.688
140 H LEU 24 H LEU 24 5.913 -7.739 1.039
141 HA LEU 24 HA LEU 24 5.204 -8.262 3.845
142 HB3 LEU 24 HB3 LEU 24 6.479 -5.720 2.954
143 HG LEU 24 HG LEU 24 5.998 -6.855 5.481
144 HD11 LEU 24 HD11 LEU 24 8.251 -6.967 6.430
145 HD12 LEU 24 HD12 LEU 24 8.938 -6.779 4.816
146 HD13 LEU 24 HD13 LEU 24 7.994 -8.216 5.211
147 HD21 LEU 24 HD21 LEU 24 5.971 -4.620 5.632
148 HD22 LEU 24 HD22 LEU 24 7.114 -4.418 4.303
149 HD23 LEU 24 HD23 LEU 24 7.702 -4.775 5.928
150 H ARG 25 H ARG 25 4.281 -6.169 4.916
151 HA ARG 25 HA ARG 25 2.127 -5.168 3.171
152 HB3 ARG 25 HB3 ARG 25 1.635 -6.710 5.230
153 HG3 ARG 25 HG3 ARG 25 1.097 -5.437 7.254
154 HD3 ARG 25 HD3 ARG 25 3.327 -5.266 8.141
155 HE ARG 25 HE ARG 25 2.565 -7.545 6.717
156 HH11 ARG 25 HH11 ARG 25 5.451 -6.059 7.978
157 HH12 ARG 25 HH12 ARG 25 6.282 -7.562 8.205
158 HH21 ARG 25 HH22 ARG 25 3.650 -9.529 7.013
159 HH22 ARG 25 HH21 ARG 25 5.256 -9.535 7.657
160 H LEU 26 H LEU 26 1.319 -3.013 3.656
161 HA LEU 26 HA LEU 26 3.286 -1.284 4.994
162 HB3 LEU 26 HB3 LEU 26 2.561 0.404 3.128
163 HG LEU 26 HG LEU 26 4.669 -1.670 2.968
164 HD11 LEU 26 HD11 LEU 26 3.472 -0.355 0.601
165 HD12 LEU 26 HD12 LEU 26 4.293 -1.910 0.746
166 HD13 LEU 26 HD13 LEU 26 5.233 -0.417 0.690
167 HD21 LEU 26 HD21 LEU 26 5.399 0.219 4.056
168 HD22 LEU 26 HD22 LEU 26 4.442 1.304 3.046
169 HD23 LEU 26 HD23 LEU 26 5.908 0.564 2.402
170 H ARG 27 H ARG 27 0.334 -0.486 3.209
171 HA ARG 27 HA ARG 27 -1.223 -0.112 5.595
172 HB3 ARG 27 HB3 ARG 27 -1.580 2.396 4.869
173 HG3 ARG 27 HG3 ARG 27 -0.168 1.229 6.917
174 HD3 ARG 27 HD3 ARG 27 1.549 3.453 5.866
175 HE ARG 27 HE ARG 27 2.677 1.462 7.592
176 HH11 ARG 27 HH11 ARG 27 0.825 4.407 7.481
177 HH12 ARG 27 HH12 ARG 27 1.265 4.899 9.084
178 HH21 ARG 27 HH22 ARG 27 3.264 2.097 9.703
179 HH22 ARG 27 HH21 ARG 27 2.652 3.584 10.346
180 H GLY 28 H GLY 28 -3.238 1.435 4.791
181 HA2 GLY 28 HA2 GLY 28 -4.652 -0.191 2.973
182 HA3 GLY 28 HA3 GLY 28 -5.172 1.384 3.556
183 H ALA 29 H ALA 29 -5.243 3.013 2.145
184 HA ALA 29 HA ALA 29 -5.217 4.067 0.119
185 HB1 ALA 29 HB1 ALA 29 -2.797 3.998 -0.911
186 HB2 ALA 29 HB2 ALA 29 -3.130 4.885 0.577
187 HB3 ALA 29 HB3 ALA 29 -2.397 3.284 0.650
188 H CYS 30 H CYS 30 -6.002 1.250 0.088
189 HA CYS 30 HA CYS 30 -5.566 0.764 -2.765
190 HB3 CYS 30 HB3 CYS 30 -5.513 -1.781 -1.967
191 HA PRO 31 HA PRO 31 -9.836 -0.230 -2.915
192 HB3 PRO 31 HB3 PRO 31 -9.578 -0.615 -5.165
193 HG3 PRO 31 HG3 PRO 31 -7.674 -1.664 -5.993
194 HD3 PRO 31 HD3 PRO 31 -6.695 -0.050 -4.669
195 H ARG 32 H ARG 32 -11.439 -1.668 -2.200
196 HA ARG 32 HA ARG 32 -10.888 -3.252 -0.023
197 HB3 ARG 32 HB3 ARG 32 -13.135 -2.475 -0.531
198 HG3 ARG 32 HG3 ARG 32 -14.293 -4.262 -2.227
199 HD3 ARG 32 HD3 ARG 32 -13.167 -1.700 -3.288
200 HE ARG 32 HE ARG 32 -15.448 -3.311 -3.918
201 HH11 ARG 32 HH11 ARG 32 -14.183 -0.067 -3.926
202 HH12 ARG 32 HH12 ARG 32 -15.216 0.473 -5.208
203 HH21 ARG 32 HH22 ARG 32 -16.814 -2.613 -5.606
204 HH22 ARG 32 HH21 ARG 32 -16.712 -0.976 -6.163
205 H GLY 33 H GLY 33 -10.650 -5.458 0.351
206 HA2 GLY 33 HA2 GLY 33 -10.272 -7.692 -0.171
207 HA3 GLY 33 HA3 GLY 33 -10.549 -7.315 -1.865
208 H SER 34 H SER 34 -8.426 -5.050 -0.923
209 HA SER 34 HA SER 34 -6.039 -6.718 -1.182
210 HB3 SER 34 HB3 SER 34 -5.142 -5.139 -2.927
211 HG SER 34 HG SER 34 -7.313 -6.060 -4.247
212 H ARG 35 H ARG 35 -4.051 -5.575 -0.657
213 HA ARG 35 HA ARG 35 -4.376 -3.037 0.749
214 HB3 ARG 35 HB3 ARG 35 -4.679 -5.025 2.342
215 HG3 ARG 35 HG3 ARG 35 -1.788 -5.183 2.719
216 HD3 ARG 35 HD3 ARG 35 -2.271 -7.426 3.306
217 HE ARG 35 HE ARG 35 -4.759 -6.371 4.304
218 HH11 ARG 35 HH11 ARG 35 -1.290 -6.330 4.593
219 HH12 ARG 35 HH12 ARG 35 -1.303 -5.784 6.237
220 HH21 ARG 35 HH22 ARG 35 -4.789 -5.653 6.469
221 HH22 ARG 35 HH21 ARG 35 -3.293 -5.400 7.304
222 H CYS 36 H CYS 36 -2.512 -1.804 0.869
223 HA CYS 36 HA CYS 36 -0.605 -2.148 -1.146
224 HB3 CYS 36 HB3 CYS 36 -0.009 -0.528 1.306
225 H CYS 37 H CYS 37 0.723 -3.851 -1.218
226 HA CYS 37 HA CYS 37 2.091 -4.678 1.251
227 HB3 CYS 37 HB3 CYS 37 0.909 -6.137 -0.938
228 H MET 38 H MET 38 4.273 -4.632 1.410
229 HA MET 38 HA MET 38 5.730 -3.020 -0.437
230 HB3 MET 38 HB3 MET 38 7.444 -4.522 1.330
231 HG3 MET 38 HG3 MET 38 7.357 -2.083 2.435
232 HE1 MET 38 HE1 MET 38 10.002 -1.311 2.633
233 HE2 MET 38 HE2 MET 38 9.480 -2.945 3.043
234 HE3 MET 38 HE3 MET 38 10.962 -2.699 2.119
235 HA PRO 39 HA PRO 39 6.937 -6.222 -3.246
236 HB3 PRO 39 HB3 PRO 39 7.092 -4.556 -4.821
237 HG3 PRO 39 HG3 PRO 39 7.730 -2.400 -4.228
238 HD3 PRO 39 HD3 PRO 39 6.084 -2.772 -2.659
239 H THR 40 H THR 40 9.029 -7.226 -4.021
240 HA THR 40 HA THR 40 10.703 -7.744 -1.712
241 HB THR 40 HB THR 40 11.127 -8.987 -4.414
242 HG1 THR 40 HG1 THR 40 9.558 -10.583 -3.718
243 HG21 THR 40 HG21 THR 40 12.153 -9.368 -1.780
244 HG22 THR 40 HG22 THR 40 12.577 -10.223 -3.262
245 HG23 THR 40 HG23 THR 40 11.257 -10.814 -2.251
246 H VAL 41 H VAL 41 11.500 -5.431 -1.882
247 HA VAL 41 HA VAL 41 13.867 -5.358 -3.638
248 HB VAL 41 HB VAL 41 13.664 -2.916 -3.747
249 HG11 VAL 41 HG11 VAL 41 12.734 -4.007 -5.602
250 HG12 VAL 41 HG12 VAL 41 11.335 -4.566 -4.682
251 HG13 VAL 41 HG13 VAL 41 11.496 -2.858 -5.095
252 HG21 VAL 41 HG21 VAL 41 12.449 -2.670 -1.586
253 HG22 VAL 41 HG22 VAL 41 11.744 -1.748 -2.914
254 HG23 VAL 41 HG23 VAL 41 10.994 -3.255 -2.389
255 H ALA 42 H ALA 42 15.391 -3.491 -2.762
256 HA ALA 42 HA ALA 42 15.546 -3.658 0.167
257 HB1 ALA 42 HB1 ALA 42 17.040 -5.346 -1.063
258 HB2 ALA 42 HB2 ALA 42 18.015 -3.944 -1.508
259 HB3 ALA 42 HB3 ALA 42 17.773 -4.345 0.192
260 H ALA 43 H ALA 43 14.529 -1.459 -0.872
261 HA ALA 43 HA ALA 43 14.723 0.808 -0.956
262 HB1 ALA 43 HB1 ALA 43 17.440 0.485 0.289
263 HB2 ALA 43 HB2 ALA 43 16.335 1.854 0.417
264 HB3 ALA 43 HB3 ALA 43 15.942 0.326 1.205
265 H HIS 44 H HIS 44 14.852 0.528 -3.302
266 HA HIS 44 HA HIS 44 15.757 0.908 -5.360
267 HB3 HIS 44 HB3 HIS 44 17.825 2.683 -4.128
268 HD1 HIS 44 HD1 HIS 44 15.099 4.311 -5.910
269 HD2 HIS 44 HD2 HIS 44 18.680 2.462 -6.917
270 HE1 HIS 44 HE1 HIS 44 15.606 5.061 -8.257
Start of MODEL 16
1 H1 ARG 1 H1 ARG 1 -6.546 8.934 -4.873
2 HA ARG 1 HA ARG 1 -6.951 6.657 -3.683
3 HB3 ARG 1 HB3 ARG 1 -8.011 5.507 -5.438
4 HG3 ARG 1 HG3 ARG 1 -6.156 6.921 -7.153
5 HD3 ARG 1 HD3 ARG 1 -5.471 4.333 -7.088
6 HE ARG 1 HE ARG 1 -7.153 3.108 -8.026
7 HH11 ARG 1 HH11 ARG 1 -6.887 6.133 -9.729
8 HH12 ARG 1 HH12 ARG 1 -8.040 5.697 -10.947
9 HH21 ARG 1 HH22 ARG 1 -8.671 2.523 -9.625
10 HH22 ARG 1 HH21 ARG 1 -9.054 3.644 -10.887
11 H ARG 2 H ARG 2 -4.846 8.032 -6.128
12 HA ARG 2 HA ARG 2 -2.533 7.189 -4.515
13 HB3 ARG 2 HB3 ARG 2 -1.957 7.589 -7.354
14 HG3 ARG 2 HG3 ARG 2 -1.486 4.953 -6.204
15 HD3 ARG 2 HD3 ARG 2 0.811 5.456 -6.935
16 HE ARG 2 HE ARG 2 -0.556 6.280 -9.292
17 HH11 ARG 2 HH11 ARG 2 -0.224 3.647 -7.038
18 HH12 ARG 2 HH12 ARG 2 -0.685 2.435 -8.187
19 HH21 ARG 2 HH22 ARG 2 -1.163 4.692 -10.813
20 HH22 ARG 2 HH21 ARG 2 -1.217 3.030 -10.335
21 H ARG 3 H ARG 3 -4.019 9.657 -4.393
22 HA ARG 3 HA ARG 3 -1.834 11.489 -4.577
23 HB3 ARG 3 HB3 ARG 3 -2.466 11.610 -6.895
24 HG3 ARG 3 HG3 ARG 3 -5.094 12.759 -6.658
25 HD3 ARG 3 HD3 ARG 3 -5.496 10.739 -8.264
26 HE ARG 3 HE ARG 3 -3.633 12.428 -9.590
27 HH11 ARG 3 HH11 ARG 3 -6.730 12.415 -8.001
28 HH12 ARG 3 HH12 ARG 3 -7.336 13.777 -8.887
29 HH21 ARG 3 HH22 ARG 3 -4.418 14.219 -10.763
30 HH22 ARG 3 HH21 ARG 3 -6.020 14.800 -10.458
31 H ARG 4 H ARG 4 -3.655 10.480 -2.577
32 HA ARG 4 HA ARG 4 -5.342 12.779 -1.937
33 HB3 ARG 4 HB3 ARG 4 -6.264 11.375 -0.166
34 HG3 ARG 4 HG3 ARG 4 -6.039 10.017 -2.834
35 HD3 ARG 4 HD3 ARG 4 -6.529 8.504 -0.768
36 HE ARG 4 HE ARG 4 -8.678 10.259 -0.481
37 HH11 ARG 4 HH11 ARG 4 -8.091 6.834 -0.699
38 HH12 ARG 4 HH12 ARG 4 -9.466 6.405 0.261
39 HH21 ARG 4 HH22 ARG 4 -10.493 9.706 0.785
40 HH22 ARG 4 HH21 ARG 4 -10.833 8.039 1.105
41 H ARG 5 H ARG 5 -3.841 14.332 -1.334
42 HA ARG 5 HA ARG 5 -2.364 15.447 -0.004
43 HB3 ARG 5 HB3 ARG 5 -2.662 15.147 2.406
44 HG3 ARG 5 HG3 ARG 5 -5.435 14.741 1.932
45 HD3 ARG 5 HD3 ARG 5 -4.335 17.476 1.968
46 HE ARG 5 HE ARG 5 -6.011 16.687 4.121
47 HH11 ARG 5 HH11 ARG 5 -6.024 17.352 0.704
48 HH12 ARG 5 HH12 ARG 5 -7.693 17.815 0.668
49 HH21 ARG 5 HH22 ARG 5 -8.210 17.293 4.086
50 HH22 ARG 5 HH21 ARG 5 -8.936 17.782 2.592
51 H ARG 6 H ARG 6 -1.275 13.235 -1.387
52 HA ARG 6 HA ARG 6 0.594 11.944 -1.484
53 HB3 ARG 6 HB3 ARG 6 2.341 12.606 0.402
54 HG3 ARG 6 HG3 ARG 6 1.556 13.992 -2.075
55 HD3 ARG 6 HD3 ARG 6 3.191 15.280 0.088
56 HE ARG 6 HE ARG 6 3.348 16.522 -2.492
57 HH11 ARG 6 HH11 ARG 6 4.827 14.207 -0.352
58 HH12 ARG 6 HH12 ARG 6 6.396 14.347 -1.073
59 HH21 ARG 6 HH22 ARG 6 5.410 16.714 -3.450
60 HH22 ARG 6 HH21 ARG 6 6.727 15.773 -2.835
61 HA PRO 7 HA PRO 7 -1.065 9.220 1.899
62 HB3 PRO 7 HB3 PRO 7 -2.794 8.489 0.573
63 HG3 PRO 7 HG3 PRO 7 -2.663 8.616 -1.745
64 HD3 PRO 7 HD3 PRO 7 -2.058 10.772 -1.195
65 HA PRO 8 HA PRO 8 2.501 6.686 2.341
66 HB3 PRO 8 HB3 PRO 8 1.561 5.820 4.250
67 HG3 PRO 8 HG3 PRO 8 -0.717 5.362 4.364
68 HD3 PRO 8 HD3 PRO 8 -0.786 7.517 3.553
69 H CYS 9 H CYS 9 -0.149 4.775 0.901
70 HA CYS 9 HA CYS 9 1.409 2.850 -0.361
71 HB3 CYS 9 HB3 CYS 9 -1.074 3.868 -1.689
72 H GLU 10 H GLU 10 0.856 6.159 -1.196
73 HA GLU 10 HA GLU 10 1.709 5.892 -3.936
74 HB3 GLU 10 HB3 GLU 10 1.259 8.322 -2.196
75 HG3 GLU 10 HG3 GLU 10 0.962 9.075 -4.839
76 H ASP 11 H ASP 11 3.078 7.509 -1.065
77 HA ASP 11 HA ASP 11 5.520 8.243 -2.108
78 HB3 ASP 11 HB3 ASP 11 6.059 7.413 0.524
79 H VAL 12 H VAL 12 4.771 5.208 -0.393
80 HA VAL 12 HA VAL 12 7.338 4.072 -1.000
81 HB VAL 12 HB VAL 12 6.568 2.084 0.098
82 HG11 VAL 12 HG11 VAL 12 5.707 3.044 2.253
83 HG12 VAL 12 HG12 VAL 12 7.166 3.811 1.623
84 HG13 VAL 12 HG13 VAL 12 5.601 4.603 1.435
85 HG21 VAL 12 HG21 VAL 12 4.072 2.240 0.964
86 HG22 VAL 12 HG22 VAL 12 3.884 3.207 -0.498
87 HG23 VAL 12 HG23 VAL 12 4.464 1.545 -0.610
88 H ASN 13 H ASN 13 4.370 4.340 -2.644
89 HA ASN 13 HA ASN 13 3.444 3.249 -4.443
90 HB3 ASN 13 HB3 ASN 13 5.049 4.643 -5.559
91 HD21 ASN 13 HD22 ASN 13 6.796 5.278 -4.296
92 HD22 ASN 13 HD21 ASN 13 8.330 4.488 -4.392
93 H GLY 14 H GLY 14 3.225 1.337 -2.862
94 HA2 GLY 14 HA2 GLY 14 4.925 -0.930 -3.574
95 HA3 GLY 14 HA3 GLY 14 3.732 -0.891 -2.286
96 H GLN 15 H GLN 15 3.315 -3.063 -3.337
97 HA GLN 15 HA GLN 15 1.534 -2.783 -5.660
98 HB3 GLN 15 HB3 GLN 15 1.966 -5.039 -6.203
99 HG3 GLN 15 HG3 GLN 15 4.574 -4.036 -5.085
100 HE21 GLN 15 HE22 GLN 15 5.194 -4.536 -8.093
101 HE22 GLN 15 HE21 GLN 15 5.623 -6.209 -8.115
102 H CYS 16 H CYS 16 -0.582 -2.978 -5.368
103 HA CYS 16 HA CYS 16 -1.676 -3.536 -2.794
104 HB3 CYS 16 HB3 CYS 16 -3.860 -3.258 -3.911
105 H GLN 17 H GLN 17 -1.147 -5.627 -2.206
106 HA GLN 17 HA GLN 17 -2.319 -7.767 -3.857
107 HB3 GLN 17 HB3 GLN 17 -0.640 -9.231 -3.171
108 HG3 GLN 17 HG3 GLN 17 1.085 -6.833 -2.910
109 HE21 GLN 17 HE22 GLN 17 1.499 -7.909 -5.883
110 HE22 GLN 17 HE21 GLN 17 2.644 -9.176 -5.626
111 HA PRO 18 HA PRO 18 -5.120 -8.824 -0.651
112 HB3 PRO 18 HB3 PRO 18 -5.960 -10.430 -2.064
113 HG3 PRO 18 HG3 PRO 18 -4.556 -11.647 -3.462
114 HD3 PRO 18 HD3 PRO 18 -3.839 -9.511 -3.946
115 H ARG 19 H ARG 19 -5.361 -10.721 1.109
116 HA ARG 19 HA ARG 19 -2.940 -10.521 2.730
117 HB3 ARG 19 HB3 ARG 19 -4.306 -11.013 4.613
118 HG3 ARG 19 HG3 ARG 19 -4.997 -8.892 2.925
119 HD3 ARG 19 HD3 ARG 19 -7.375 -10.421 3.929
120 HE ARG 19 HE ARG 19 -7.122 -7.602 4.061
121 HH11 ARG 19 HH11 ARG 19 -9.323 -10.131 3.119
122 HH12 ARG 19 HH12 ARG 19 -10.742 -9.178 3.398
123 HH21 ARG 19 HH22 ARG 19 -8.984 -6.337 4.431
124 HH22 ARG 19 HH21 ARG 19 -10.549 -7.020 4.143
125 H GLY 20 H GLY 20 -2.157 -12.170 0.962
126 HA2 GLY 20 HA2 GLY 20 -2.000 -14.715 2.301
127 HA3 GLY 20 HA3 GLY 20 -2.890 -14.787 0.788
128 H ASN 21 H ASN 21 -0.240 -12.567 1.233
129 HA ASN 21 HA ASN 21 1.403 -14.246 -0.549
130 HB3 ASN 21 HB3 ASN 21 1.172 -12.536 -2.004
131 HD21 ASN 21 HD22 ASN 21 -0.867 -11.797 -2.139
132 HD22 ASN 21 HD21 ASN 21 -1.467 -10.426 -1.276
133 HA PRO 22 HA PRO 22 4.533 -14.124 2.539
134 HB3 PRO 22 HB3 PRO 22 5.540 -15.833 1.377
135 HG3 PRO 22 HG3 PRO 22 5.453 -15.916 -0.945
136 HD3 PRO 22 HD3 PRO 22 3.220 -15.589 -0.477
137 H CYS 23 H CYS 23 4.318 -11.855 0.008
138 HA CYS 23 HA CYS 23 6.658 -10.358 0.347
139 HB3 CYS 23 HB3 CYS 23 4.926 -10.122 -1.491
140 H LEU 24 H LEU 24 6.046 -7.801 0.979
141 HA LEU 24 HA LEU 24 5.517 -7.995 3.858
142 HB3 LEU 24 HB3 LEU 24 6.609 -5.543 2.560
143 HG LEU 24 HG LEU 24 6.380 -6.352 5.236
144 HD11 LEU 24 HD11 LEU 24 9.288 -6.018 4.685
145 HD12 LEU 24 HD12 LEU 24 8.564 -7.619 4.539
146 HD13 LEU 24 HD13 LEU 24 8.477 -6.750 6.070
147 HD21 LEU 24 HD21 LEU 24 8.086 -4.218 5.259
148 HD22 LEU 24 HD22 LEU 24 6.330 -4.118 5.123
149 HD23 LEU 24 HD23 LEU 24 7.330 -4.075 3.671
150 H ARG 25 H ARG 25 4.539 -5.930 4.815
151 HA ARG 25 HA ARG 25 2.286 -5.072 3.117
152 HB3 ARG 25 HB3 ARG 25 1.654 -6.576 5.005
153 HG3 ARG 25 HG3 ARG 25 1.510 -5.309 7.255
154 HD3 ARG 25 HD3 ARG 25 4.243 -6.003 7.258
155 HE ARG 25 HE ARG 25 1.905 -6.968 8.461
156 HH11 ARG 25 HH11 ARG 25 5.024 -8.104 7.411
157 HH12 ARG 25 HH12 ARG 25 5.107 -9.368 8.592
158 HH21 ARG 25 HH22 ARG 25 2.002 -8.629 10.020
159 HH22 ARG 25 HH21 ARG 25 3.387 -9.667 10.075
160 H LEU 26 H LEU 26 1.434 -2.936 3.534
161 HA LEU 26 HA LEU 26 3.381 -1.114 4.782
162 HB3 LEU 26 HB3 LEU 26 2.468 0.514 2.942
163 HG LEU 26 HG LEU 26 4.643 -1.486 2.646
164 HD11 LEU 26 HD11 LEU 26 3.255 -0.177 0.393
165 HD12 LEU 26 HD12 LEU 26 4.195 -1.668 0.439
166 HD13 LEU 26 HD13 LEU 26 5.018 -0.109 0.381
167 HD21 LEU 26 HD21 LEU 26 4.326 1.468 2.858
168 HD22 LEU 26 HD22 LEU 26 5.764 0.819 2.072
169 HD23 LEU 26 HD23 LEU 26 5.399 0.381 3.741
170 H ARG 27 H ARG 27 0.226 -0.636 3.215
171 HA ARG 27 HA ARG 27 -1.047 -0.078 5.755
172 HB3 ARG 27 HB3 ARG 27 -1.838 2.178 4.496
173 HG3 ARG 27 HG3 ARG 27 -0.524 1.697 6.788
174 HD3 ARG 27 HD3 ARG 27 1.346 3.609 5.496
175 HE ARG 27 HE ARG 27 2.365 1.707 7.362
176 HH11 ARG 27 HH11 ARG 27 0.515 4.642 7.073
177 HH12 ARG 27 HH12 ARG 27 0.898 5.195 8.669
178 HH21 ARG 27 HH22 ARG 27 2.877 2.424 9.467
179 HH22 ARG 27 HH21 ARG 27 2.242 3.933 10.030
180 H GLY 28 H GLY 28 -3.378 0.893 5.176
181 HA2 GLY 28 HA2 GLY 28 -4.499 -1.039 3.281
182 HA3 GLY 28 HA3 GLY 28 -5.390 -0.180 4.529
183 H ALA 29 H ALA 29 -3.325 1.898 2.891
184 HA ALA 29 HA ALA 29 -5.289 3.561 1.901
185 HB1 ALA 29 HB1 ALA 29 -3.049 3.804 0.181
186 HB2 ALA 29 HB2 ALA 29 -3.500 4.822 1.550
187 HB3 ALA 29 HB3 ALA 29 -2.452 3.427 1.798
188 H CYS 30 H CYS 30 -3.940 0.681 0.488
189 HA CYS 30 HA CYS 30 -4.640 1.048 -2.190
190 HB3 CYS 30 HB3 CYS 30 -4.941 -1.613 -1.948
191 HA PRO 31 HA PRO 31 -8.995 0.632 -2.481
192 HB3 PRO 31 HB3 PRO 31 -8.769 0.675 -4.766
193 HG3 PRO 31 HG3 PRO 31 -7.007 -0.422 -5.817
194 HD3 PRO 31 HD3 PRO 31 -5.842 0.757 -4.215
195 H ARG 32 H ARG 32 -10.787 -0.721 -2.085
196 HA ARG 32 HA ARG 32 -10.482 -2.745 -0.252
197 HB3 ARG 32 HB3 ARG 32 -12.610 -1.595 -0.666
198 HG3 ARG 32 HG3 ARG 32 -14.004 -2.852 -2.543
199 HD3 ARG 32 HD3 ARG 32 -12.647 -0.836 -3.977
200 HE ARG 32 HE ARG 32 -15.246 -1.172 -2.857
201 HH11 ARG 32 HH11 ARG 32 -13.063 1.176 -4.214
202 HH12 ARG 32 HH12 ARG 32 -14.328 2.230 -4.756
203 HH21 ARG 32 HH22 ARG 32 -16.919 0.206 -3.567
204 HH22 ARG 32 HH21 ARG 32 -16.520 1.677 -4.386
205 H GLY 33 H GLY 33 -10.640 -5.020 -0.331
206 HA2 GLY 33 HA2 GLY 33 -10.654 -7.119 -1.393
207 HA3 GLY 33 HA3 GLY 33 -10.446 -6.312 -2.941
208 H SER 34 H SER 34 -8.220 -4.693 -1.614
209 HA SER 34 HA SER 34 -6.169 -6.736 -1.282
210 HB3 SER 34 HB3 SER 34 -5.915 -6.513 -3.596
211 HG SER 34 HG SER 34 -5.771 -4.118 -4.339
212 H ARG 35 H ARG 35 -4.057 -5.768 -0.649
213 HA ARG 35 HA ARG 35 -4.369 -3.151 0.655
214 HB3 ARG 35 HB3 ARG 35 -4.649 -5.130 2.238
215 HG3 ARG 35 HG3 ARG 35 -1.815 -5.404 2.684
216 HD3 ARG 35 HD3 ARG 35 -2.727 -7.894 2.243
217 HE ARG 35 HE ARG 35 -3.639 -6.849 4.763
218 HH11 ARG 35 HH11 ARG 35 -0.863 -7.772 2.874
219 HH12 ARG 35 HH12 ARG 35 0.142 -8.062 4.253
220 HH21 ARG 35 HH22 ARG 35 -2.323 -7.227 6.588
221 HH22 ARG 35 HH21 ARG 35 -0.688 -7.752 6.366
222 H CYS 36 H CYS 36 -2.423 -1.983 0.992
223 HA CYS 36 HA CYS 36 -0.550 -2.209 -1.105
224 HB3 CYS 36 HB3 CYS 36 0.278 -0.700 1.299
225 H CYS 37 H CYS 37 0.977 -3.695 -1.296
226 HA CYS 37 HA CYS 37 2.327 -4.648 1.145
227 HB3 CYS 37 HB3 CYS 37 1.097 -6.098 -1.051
228 H MET 38 H MET 38 4.500 -4.532 1.234
229 HA MET 38 HA MET 38 5.865 -3.048 -0.820
230 HB3 MET 38 HB3 MET 38 7.743 -4.042 1.034
231 HG3 MET 38 HG3 MET 38 7.006 -1.586 2.024
232 HE1 MET 38 HE1 MET 38 9.444 0.529 -0.014
233 HE2 MET 38 HE2 MET 38 8.067 0.466 1.086
234 HE3 MET 38 HE3 MET 38 9.703 0.259 1.709
235 HA PRO 39 HA PRO 39 7.365 -6.498 -3.122
236 HB3 PRO 39 HB3 PRO 39 7.704 -5.004 -4.835
237 HG3 PRO 39 HG3 PRO 39 8.337 -2.808 -4.405
238 HD3 PRO 39 HD3 PRO 39 6.544 -2.995 -2.968
239 H THR 40 H THR 40 9.771 -7.257 -3.781
240 HA THR 40 HA THR 40 11.196 -7.557 -1.225
241 HB THR 40 HB THR 40 10.339 -9.654 -2.205
242 HG1 THR 40 HG1 THR 40 13.141 -9.756 -2.499
243 HG21 THR 40 HG21 THR 40 11.259 -8.538 -4.615
244 HG22 THR 40 HG22 THR 40 10.515 -10.118 -4.377
245 HG23 THR 40 HG23 THR 40 12.269 -9.950 -4.311
246 H VAL 41 H VAL 41 11.632 -5.245 -2.768
247 HA VAL 41 HA VAL 41 13.962 -5.537 -4.401
248 HB VAL 41 HB VAL 41 14.071 -3.066 -4.324
249 HG11 VAL 41 HG11 VAL 41 12.771 -3.706 -6.092
250 HG12 VAL 41 HG12 VAL 41 11.595 -4.535 -5.071
251 HG13 VAL 41 HG13 VAL 41 11.590 -2.774 -5.173
252 HG21 VAL 41 HG21 VAL 41 11.532 -2.614 -3.042
253 HG22 VAL 41 HG22 VAL 41 12.665 -3.385 -1.931
254 HG23 VAL 41 HG23 VAL 41 13.097 -1.869 -2.722
255 H ALA 42 H ALA 42 15.847 -3.886 -3.794
256 HA ALA 42 HA ALA 42 16.696 -4.568 -1.054
257 HB1 ALA 42 HB1 ALA 42 17.879 -5.518 -3.248
258 HB2 ALA 42 HB2 ALA 42 18.754 -3.992 -3.103
259 HB3 ALA 42 HB3 ALA 42 18.768 -5.148 -1.770
260 H ALA 43 H ALA 43 17.056 -2.179 -3.663
261 HA ALA 43 HA ALA 43 17.446 0.063 -3.638
262 HB1 ALA 43 HB1 ALA 43 16.230 1.325 -2.144
263 HB2 ALA 43 HB2 ALA 43 15.390 -0.224 -2.062
264 HB3 ALA 43 HB3 ALA 43 16.536 0.224 -0.800
265 H HIS 44 H HIS 44 18.366 1.866 -1.875
266 HA HIS 44 HA HIS 44 20.693 0.716 -0.531
267 HB3 HIS 44 HB3 HIS 44 20.996 3.037 -2.435
268 HD1 HIS 44 HD1 HIS 44 23.350 0.170 -1.826
269 HD2 HIS 44 HD2 HIS 44 23.018 4.220 -0.960
270 HE1 HIS 44 HE1 HIS 44 25.583 0.842 -0.885
Start of MODEL 17
1 H1 ARG 1 H1 ARG 1 -7.788 10.113 -8.755
2 HA ARG 1 HA ARG 1 -9.819 9.759 -7.013
3 HB3 ARG 1 HB3 ARG 1 -9.141 7.151 -6.525
4 HG3 ARG 1 HG3 ARG 1 -11.443 8.245 -6.710
5 HD3 ARG 1 HD3 ARG 1 -11.728 6.936 -9.336
6 HE ARG 1 HE ARG 1 -13.306 8.608 -7.869
7 HH11 ARG 1 HH11 ARG 1 -11.932 8.701 -11.067
8 HH12 ARG 1 HH12 ARG 1 -13.227 9.640 -11.736
9 HH21 ARG 1 HH22 ARG 1 -15.015 9.843 -8.738
10 HH22 ARG 1 HH21 ARG 1 -14.979 10.289 -10.411
11 H ARG 2 H ARG 2 -6.571 8.540 -7.702
12 HA ARG 2 HA ARG 2 -5.764 8.581 -4.946
13 HB3 ARG 2 HB3 ARG 2 -3.625 7.888 -5.719
14 HG3 ARG 2 HG3 ARG 2 -5.663 6.754 -7.623
15 HD3 ARG 2 HD3 ARG 2 -3.838 4.794 -7.093
16 HE ARG 2 HE ARG 2 -4.678 6.006 -9.365
17 HH11 ARG 2 HH11 ARG 2 -1.558 5.019 -8.177
18 HH12 ARG 2 HH12 ARG 2 -0.908 4.717 -9.755
19 HH21 ARG 2 HH22 ARG 2 -3.833 5.613 -11.447
20 HH22 ARG 2 HH21 ARG 2 -2.202 5.057 -11.613
21 H ARG 3 H ARG 3 -3.386 9.736 -4.761
22 HA ARG 3 HA ARG 3 -2.308 11.710 -4.421
23 HB3 ARG 3 HB3 ARG 3 -3.765 13.071 -6.629
24 HG3 ARG 3 HG3 ARG 3 -1.206 13.279 -5.354
25 HD3 ARG 3 HD3 ARG 3 -1.175 13.015 -8.359
26 HE ARG 3 HE ARG 3 0.581 14.447 -6.691
27 HH11 ARG 3 HH11 ARG 3 0.613 12.133 -9.290
28 HH12 ARG 3 HH12 ARG 3 2.151 12.645 -9.901
29 HH21 ARG 3 HH22 ARG 3 2.607 15.131 -7.485
30 HH22 ARG 3 HH21 ARG 3 3.284 14.350 -8.874
31 H ARG 4 H ARG 4 -4.928 11.177 -3.206
32 HA ARG 4 HA ARG 4 -6.437 13.584 -3.119
33 HB3 ARG 4 HB3 ARG 4 -7.117 12.365 -0.807
34 HG3 ARG 4 HG3 ARG 4 -8.712 10.939 -2.150
35 HD3 ARG 4 HD3 ARG 4 -8.665 13.801 -3.068
36 HE ARG 4 HE ARG 4 -10.624 11.886 -3.282
37 HH11 ARG 4 HH11 ARG 4 -10.315 15.014 -1.788
38 HH12 ARG 4 HH12 ARG 4 -11.994 15.407 -1.958
39 HH21 ARG 4 HH22 ARG 4 -12.837 12.390 -3.513
40 HH22 ARG 4 HH21 ARG 4 -13.428 13.913 -2.939
41 H ARG 5 H ARG 5 -3.780 12.288 -1.219
42 HA ARG 5 HA ARG 5 -3.110 14.880 -0.222
43 HB3 ARG 5 HB3 ARG 5 -3.627 13.016 2.027
44 HG3 ARG 5 HG3 ARG 5 -4.533 15.836 2.001
45 HD3 ARG 5 HD3 ARG 5 -4.504 14.024 3.923
46 HE ARG 5 HE ARG 5 -1.743 14.546 3.690
47 HH11 ARG 5 HH11 ARG 5 -4.262 14.262 6.078
48 HH12 ARG 5 HH12 ARG 5 -3.189 13.749 7.338
49 HH21 ARG 5 HH22 ARG 5 -0.321 13.872 5.343
50 HH22 ARG 5 HH21 ARG 5 -0.949 13.529 6.919
51 H ARG 6 H ARG 6 -1.795 12.877 -1.727
52 HA ARG 6 HA ARG 6 0.166 11.727 -1.867
53 HB3 ARG 6 HB3 ARG 6 1.908 12.577 -0.076
54 HG3 ARG 6 HG3 ARG 6 1.229 14.916 -1.635
55 HD3 ARG 6 HD3 ARG 6 3.430 14.492 -2.604
56 HE ARG 6 HE ARG 6 4.054 13.923 0.138
57 HH11 ARG 6 HH11 ARG 6 2.826 16.323 -2.066
58 HH12 ARG 6 HH12 ARG 6 3.260 17.662 -1.056
59 HH21 ARG 6 HH22 ARG 6 4.631 15.678 1.476
60 HH22 ARG 6 HH21 ARG 6 4.289 17.294 0.959
61 HA PRO 7 HA PRO 7 -1.101 8.899 1.610
62 HB3 PRO 7 HB3 PRO 7 -2.835 8.017 0.386
63 HG3 PRO 7 HG3 PRO 7 -2.846 8.136 -1.936
64 HD3 PRO 7 HD3 PRO 7 -2.393 10.338 -1.429
65 HA PRO 8 HA PRO 8 2.683 6.674 1.858
66 HB3 PRO 8 HB3 PRO 8 1.928 5.753 3.823
67 HG3 PRO 8 HG3 PRO 8 -0.293 5.107 4.069
68 HD3 PRO 8 HD3 PRO 8 -0.588 7.243 3.253
69 H CYS 9 H CYS 9 0.124 4.536 0.582
70 HA CYS 9 HA CYS 9 1.759 2.734 -0.757
71 HB3 CYS 9 HB3 CYS 9 -0.774 3.406 -2.116
72 H GLU 10 H GLU 10 0.892 5.980 -1.579
73 HA GLU 10 HA GLU 10 1.623 5.753 -4.357
74 HB3 GLU 10 HB3 GLU 10 1.059 8.162 -2.621
75 HG3 GLU 10 HG3 GLU 10 2.435 8.829 -4.516
76 H ASP 11 H ASP 11 2.990 7.494 -1.561
77 HA ASP 11 HA ASP 11 5.294 8.452 -2.718
78 HB3 ASP 11 HB3 ASP 11 6.258 8.505 -0.471
79 H VAL 12 H VAL 12 5.009 5.386 -0.912
80 HA VAL 12 HA VAL 12 7.597 4.493 -1.775
81 HB VAL 12 HB VAL 12 7.131 2.452 -0.586
82 HG11 VAL 12 HG11 VAL 12 7.596 3.583 1.266
83 HG12 VAL 12 HG12 VAL 12 6.895 5.048 0.577
84 HG13 VAL 12 HG13 VAL 12 5.879 3.921 1.473
85 HG21 VAL 12 HG21 VAL 12 4.698 2.559 0.581
86 HG22 VAL 12 HG22 VAL 12 4.336 3.288 -0.985
87 HG23 VAL 12 HG23 VAL 12 5.039 1.673 -0.905
88 H ASN 13 H ASN 13 4.514 4.494 -3.161
89 HA ASN 13 HA ASN 13 3.568 3.451 -4.954
90 HB3 ASN 13 HB3 ASN 13 5.178 2.912 -6.815
91 HD21 ASN 13 HD22 ASN 13 6.945 5.411 -5.262
92 HD22 ASN 13 HD21 ASN 13 6.176 6.745 -6.047
93 H GLY 14 H GLY 14 3.691 1.771 -2.809
94 HA2 GLY 14 HA2 GLY 14 4.958 -0.718 -3.400
95 HA3 GLY 14 HA3 GLY 14 3.737 -0.440 -2.166
96 H GLN 15 H GLN 15 3.441 -2.757 -3.257
97 HA GLN 15 HA GLN 15 1.671 -2.555 -5.575
98 HB3 GLN 15 HB3 GLN 15 1.759 -5.202 -5.051
99 HG3 GLN 15 HG3 GLN 15 4.202 -4.760 -6.344
100 HE21 GLN 15 HE22 GLN 15 3.996 -6.649 -7.333
101 HE22 GLN 15 HE21 GLN 15 2.686 -7.108 -8.362
102 H CYS 16 H CYS 16 -0.321 -3.936 -5.543
103 HA CYS 16 HA CYS 16 -1.603 -3.820 -2.890
104 HB3 CYS 16 HB3 CYS 16 -3.741 -3.395 -4.117
105 H GLN 17 H GLN 17 -1.797 -5.837 -2.165
106 HA GLN 17 HA GLN 17 -3.096 -7.814 -3.878
107 HB3 GLN 17 HB3 GLN 17 -1.303 -9.120 -4.105
108 HG3 GLN 17 HG3 GLN 17 0.339 -7.305 -2.370
109 HE21 GLN 17 HE22 GLN 17 1.246 -9.593 -2.113
110 HE22 GLN 17 HE21 GLN 17 2.453 -10.055 -3.261
111 HA PRO 18 HA PRO 18 -5.307 -8.983 -0.277
112 HB3 PRO 18 HB3 PRO 18 -6.377 -10.570 -1.546
113 HG3 PRO 18 HG3 PRO 18 -5.230 -11.789 -3.160
114 HD3 PRO 18 HD3 PRO 18 -4.580 -9.655 -3.739
115 H ARG 19 H ARG 19 -5.275 -10.918 1.473
116 HA ARG 19 HA ARG 19 -2.644 -10.714 2.713
117 HB3 ARG 19 HB3 ARG 19 -4.631 -10.108 4.033
118 HG3 ARG 19 HG3 ARG 19 -5.558 -12.711 4.725
119 HD3 ARG 19 HD3 ARG 19 -6.650 -10.112 3.831
120 HE ARG 19 HE ARG 19 -7.886 -12.262 2.748
121 HH11 ARG 19 HH11 ARG 19 -8.745 -10.016 5.266
122 HH12 ARG 19 HH12 ARG 19 -10.447 -10.132 4.968
123 HH21 ARG 19 HH22 ARG 19 -10.125 -12.424 2.347
124 HH22 ARG 19 HH21 ARG 19 -11.232 -11.504 3.308
125 H GLY 20 H GLY 20 -2.766 -12.431 0.496
126 HA2 GLY 20 HA2 GLY 20 -2.268 -15.014 1.831
127 HA3 GLY 20 HA3 GLY 20 -3.191 -14.944 0.337
128 H ASN 21 H ASN 21 -0.360 -12.991 1.094
129 HA ASN 21 HA ASN 21 1.265 -14.601 -0.731
130 HB3 ASN 21 HB3 ASN 21 0.801 -13.085 -2.360
131 HD21 ASN 21 HD22 ASN 21 -1.315 -12.460 -2.261
132 HD22 ASN 21 HD21 ASN 21 -1.828 -10.956 -1.582
133 HA PRO 22 HA PRO 22 4.515 -13.836 2.118
134 HB3 PRO 22 HB3 PRO 22 5.789 -15.293 0.881
135 HG3 PRO 22 HG3 PRO 22 5.636 -15.348 -1.439
136 HD3 PRO 22 HD3 PRO 22 3.400 -15.470 -0.891
137 H CYS 23 H CYS 23 3.884 -11.633 -0.446
138 HA CYS 23 HA CYS 23 5.844 -9.714 -0.194
139 HB3 CYS 23 HB3 CYS 23 2.956 -8.933 -0.478
140 H LEU 24 H LEU 24 6.214 -7.960 1.121
141 HA LEU 24 HA LEU 24 5.508 -8.182 3.831
142 HB3 LEU 24 HB3 LEU 24 6.244 -5.511 3.348
143 HG LEU 24 HG LEU 24 8.086 -7.801 4.035
144 HD11 LEU 24 HD11 LEU 24 8.609 -5.071 3.453
145 HD12 LEU 24 HD12 LEU 24 9.729 -6.317 4.001
146 HD13 LEU 24 HD13 LEU 24 8.864 -5.330 5.179
147 HD21 LEU 24 HD21 LEU 24 7.746 -7.058 6.356
148 HD22 LEU 24 HD22 LEU 24 6.257 -7.646 5.616
149 HD23 LEU 24 HD23 LEU 24 6.526 -5.912 5.796
150 H ARG 25 H ARG 25 4.718 -5.936 4.918
151 HA ARG 25 HA ARG 25 2.157 -5.263 3.626
152 HB3 ARG 25 HB3 ARG 25 1.866 -6.747 5.588
153 HG3 ARG 25 HG3 ARG 25 2.112 -5.511 7.843
154 HD3 ARG 25 HD3 ARG 25 4.805 -6.146 7.402
155 HE ARG 25 HE ARG 25 3.151 -8.341 8.190
156 HH11 ARG 25 HH11 ARG 25 4.394 -5.243 9.181
157 HH12 ARG 25 HH12 ARG 25 4.267 -5.588 10.874
158 HH21 ARG 25 HH22 ARG 25 2.978 -8.807 10.417
159 HH22 ARG 25 HH21 ARG 25 3.462 -7.615 11.576
160 H LEU 26 H LEU 26 1.306 -3.154 4.087
161 HA LEU 26 HA LEU 26 3.259 -1.230 5.140
162 HB3 LEU 26 HB3 LEU 26 2.207 0.275 3.226
163 HG LEU 26 HG LEU 26 4.620 -1.378 3.235
164 HD11 LEU 26 HD11 LEU 26 4.685 -0.403 0.650
165 HD12 LEU 26 HD12 LEU 26 3.084 -1.130 0.789
166 HD13 LEU 26 HD13 LEU 26 4.521 -2.093 1.131
167 HD21 LEU 26 HD21 LEU 26 3.845 1.444 2.599
168 HD22 LEU 26 HD22 LEU 26 5.448 0.831 2.189
169 HD23 LEU 26 HD23 LEU 26 4.910 0.837 3.869
170 H ARG 27 H ARG 27 0.085 -0.867 3.586
171 HA ARG 27 HA ARG 27 -1.244 -0.345 6.083
172 HB3 ARG 27 HB3 ARG 27 -1.957 1.997 5.099
173 HG3 ARG 27 HG3 ARG 27 -0.246 1.266 7.112
174 HD3 ARG 27 HD3 ARG 27 1.154 3.472 5.657
175 HE ARG 27 HE ARG 27 1.604 2.158 8.101
176 HH11 ARG 27 HH11 ARG 27 3.329 3.301 5.302
177 HH12 ARG 27 HH12 ARG 27 4.811 3.562 6.159
178 HH21 ARG 27 HH22 ARG 27 3.549 2.497 9.242
179 HH22 ARG 27 HH21 ARG 27 4.936 3.104 8.401
180 H GLY 28 H GLY 28 -3.514 0.794 5.416
181 HA2 GLY 28 HA2 GLY 28 -4.650 -1.079 3.480
182 HA3 GLY 28 HA3 GLY 28 -5.548 -0.105 4.637
183 H ALA 29 H ALA 29 -3.181 1.668 2.993
184 HA ALA 29 HA ALA 29 -4.905 3.501 1.865
185 HB1 ALA 29 HB1 ALA 29 -2.738 3.597 0.177
186 HB2 ALA 29 HB2 ALA 29 -2.883 4.437 1.722
187 HB3 ALA 29 HB3 ALA 29 -2.069 2.874 1.640
188 H CYS 30 H CYS 30 -3.614 0.535 0.458
189 HA CYS 30 HA CYS 30 -4.361 0.856 -2.184
190 HB3 CYS 30 HB3 CYS 30 -4.796 -1.780 -1.898
191 HA PRO 31 HA PRO 31 -8.735 0.668 -2.457
192 HB3 PRO 31 HB3 PRO 31 -8.511 0.677 -4.744
193 HG3 PRO 31 HG3 PRO 31 -6.812 -0.518 -5.788
194 HD3 PRO 31 HD3 PRO 31 -5.584 0.613 -4.200
195 H ARG 32 H ARG 32 -10.613 -0.626 -2.135
196 HA ARG 32 HA ARG 32 -10.424 -2.618 -0.243
197 HB3 ARG 32 HB3 ARG 32 -12.748 -3.051 -0.608
198 HG3 ARG 32 HG3 ARG 32 -11.862 -0.503 -0.212
199 HD3 ARG 32 HD3 ARG 32 -12.404 -0.228 -2.744
200 HE ARG 32 HE ARG 32 -14.945 -0.933 -1.940
201 HH11 ARG 32 HH11 ARG 32 -13.439 1.786 -3.510
202 HH12 ARG 32 HH12 ARG 32 -14.851 2.207 -4.422
203 HH21 ARG 32 HH22 ARG 32 -16.810 -0.389 -3.135
204 HH22 ARG 32 HH21 ARG 32 -16.767 0.970 -4.207
205 H GLY 33 H GLY 33 -10.587 -4.875 -0.271
206 HA2 GLY 33 HA2 GLY 33 -10.633 -7.004 -1.257
207 HA3 GLY 33 HA3 GLY 33 -10.483 -6.252 -2.838
208 H SER 34 H SER 34 -8.200 -4.628 -1.474
209 HA SER 34 HA SER 34 -6.155 -6.713 -1.360
210 HB3 SER 34 HB3 SER 34 -4.770 -5.732 -3.039
211 HG SER 34 HG SER 34 -6.926 -5.343 -4.587
212 H ARG 35 H ARG 35 -3.975 -5.714 -0.789
213 HA ARG 35 HA ARG 35 -4.274 -3.303 0.855
214 HB3 ARG 35 HB3 ARG 35 -4.552 -5.290 2.311
215 HG3 ARG 35 HG3 ARG 35 -2.136 -6.167 0.950
216 HD3 ARG 35 HD3 ARG 35 -1.119 -5.411 3.062
217 HE ARG 35 HE ARG 35 -3.342 -6.185 4.364
218 HH11 ARG 35 HH11 ARG 35 -0.032 -7.253 4.525
219 HH12 ARG 35 HH12 ARG 35 -0.120 -7.701 6.197
220 HH21 ARG 35 HH22 ARG 35 -3.472 -6.770 6.565
221 HH22 ARG 35 HH21 ARG 35 -2.078 -7.426 7.356
222 H CYS 36 H CYS 36 -2.281 -2.225 1.339
223 HA CYS 36 HA CYS 36 -0.445 -2.267 -0.839
224 HB3 CYS 36 HB3 CYS 36 0.216 -0.862 1.710
225 H CYS 37 H CYS 37 1.052 -3.780 -1.092
226 HA CYS 37 HA CYS 37 2.356 -4.898 1.299
227 HB3 CYS 37 HB3 CYS 37 1.085 -6.324 -0.539
228 H MET 38 H MET 38 4.594 -5.053 1.406
229 HA MET 38 HA MET 38 6.012 -3.158 -0.304
230 HB3 MET 38 HB3 MET 38 7.469 -4.501 1.884
231 HG3 MET 38 HG3 MET 38 7.454 -1.940 0.555
232 HE1 MET 38 HE1 MET 38 8.793 -2.904 3.797
233 HE2 MET 38 HE2 MET 38 9.004 -1.329 4.562
234 HE3 MET 38 HE3 MET 38 7.597 -2.316 4.952
235 HA PRO 39 HA PRO 39 7.759 -6.446 -2.703
236 HB3 PRO 39 HB3 PRO 39 7.910 -4.907 -4.403
237 HG3 PRO 39 HG3 PRO 39 8.289 -2.658 -3.953
238 HD3 PRO 39 HD3 PRO 39 6.542 -3.061 -2.504
239 H THR 40 H THR 40 10.140 -7.079 -3.323
240 HA THR 40 HA THR 40 11.620 -7.227 -0.798
241 HB THR 40 HB THR 40 11.037 -9.362 -1.897
242 HG1 THR 40 HG1 THR 40 13.831 -8.781 -1.888
243 HG21 THR 40 HG21 THR 40 11.282 -9.667 -4.089
244 HG22 THR 40 HG22 THR 40 13.010 -9.343 -3.973
245 HG23 THR 40 HG23 THR 40 11.880 -8.014 -4.229
246 H VAL 41 H VAL 41 11.736 -4.825 -2.359
247 HA VAL 41 HA VAL 41 14.072 -4.715 -3.952
248 HB VAL 41 HB VAL 41 13.922 -2.274 -3.698
249 HG11 VAL 41 HG11 VAL 41 11.389 -2.145 -4.384
250 HG12 VAL 41 HG12 VAL 41 12.570 -2.937 -5.428
251 HG13 VAL 41 HG13 VAL 41 11.525 -3.903 -4.387
252 HG21 VAL 41 HG21 VAL 41 12.856 -1.247 -2.021
253 HG22 VAL 41 HG22 VAL 41 11.436 -2.280 -2.178
254 HG23 VAL 41 HG23 VAL 41 12.824 -2.828 -1.239
255 H ALA 42 H ALA 42 15.812 -2.964 -3.253
256 HA ALA 42 HA ALA 42 16.625 -3.363 -0.473
257 HB1 ALA 42 HB1 ALA 42 18.395 -4.033 -2.822
258 HB2 ALA 42 HB2 ALA 42 18.893 -4.017 -1.130
259 HB3 ALA 42 HB3 ALA 42 17.693 -5.183 -1.683
260 H ALA 43 H ALA 43 15.628 -1.032 -1.350
261 HA ALA 43 HA ALA 43 17.451 0.772 -2.507
262 HB1 ALA 43 HB1 ALA 43 14.868 0.946 -2.013
263 HB2 ALA 43 HB2 ALA 43 15.436 1.753 -0.552
264 HB3 ALA 43 HB3 ALA 43 15.875 2.388 -2.136
265 H HIS 44 H HIS 44 17.758 2.935 -0.962
266 HA HIS 44 HA HIS 44 19.703 2.022 1.006
267 HB3 HIS 44 HB3 HIS 44 19.972 4.706 1.042
268 HD1 HIS 44 HD1 HIS 44 22.424 4.315 1.226
269 HD2 HIS 44 HD2 HIS 44 20.836 2.717 -2.265
270 HE1 HIS 44 HE1 HIS 44 24.401 3.518 -0.109
Start of MODEL 18
1 H1 ARG 1 H1 ARG 1 -7.356 9.977 -0.500
2 HA ARG 1 HA ARG 1 -5.970 7.394 -0.195
3 HB3 ARG 1 HB3 ARG 1 -8.108 7.516 1.031
4 HG3 ARG 1 HG3 ARG 1 -9.394 7.807 -1.676
5 HD3 ARG 1 HD3 ARG 1 -10.458 6.401 0.255
6 HE ARG 1 HE ARG 1 -10.246 8.696 1.686
7 HH11 ARG 1 HH11 ARG 1 -12.934 6.841 0.479
8 HH12 ARG 1 HH12 ARG 1 -13.995 7.293 1.772
9 HH21 ARG 1 HH22 ARG 1 -11.634 9.299 3.394
10 HH22 ARG 1 HH21 ARG 1 -13.254 8.692 3.428
11 H ARG 2 H ARG 2 -5.447 6.300 -1.989
12 HA ARG 2 HA ARG 2 -5.174 5.774 -4.185
13 HB3 ARG 2 HB3 ARG 2 -7.857 7.037 -4.708
14 HG3 ARG 2 HG3 ARG 2 -7.143 4.413 -5.827
15 HD3 ARG 2 HD3 ARG 2 -7.954 6.491 -7.660
16 HE ARG 2 HE ARG 2 -8.660 3.810 -7.142
17 HH11 ARG 2 HH11 ARG 2 -9.995 6.782 -8.372
18 HH12 ARG 2 HH12 ARG 2 -11.148 5.992 -9.396
19 HH21 ARG 2 HH22 ARG 2 -10.175 2.759 -8.485
20 HH22 ARG 2 HH21 ARG 2 -11.251 3.705 -9.459
21 H ARG 3 H ARG 3 -3.652 7.755 -3.752
22 HA ARG 3 HA ARG 3 -2.577 9.557 -4.628
23 HB3 ARG 3 HB3 ARG 3 -3.670 10.088 -7.091
24 HG3 ARG 3 HG3 ARG 3 -1.428 8.494 -6.109
25 HD3 ARG 3 HD3 ARG 3 -2.560 7.995 -8.860
26 HE ARG 3 HE ARG 3 -0.235 6.515 -8.163
27 HH11 ARG 3 HH11 ARG 3 -1.310 9.594 -9.379
28 HH12 ARG 3 HH12 ARG 3 0.158 9.913 -10.242
29 HH21 ARG 3 HH22 ARG 3 1.702 6.922 -9.294
30 HH22 ARG 3 HH21 ARG 3 1.871 8.392 -10.194
31 H ARG 4 H ARG 4 -3.302 11.112 -3.207
32 HA ARG 4 HA ARG 4 -4.933 13.178 -4.318
33 HB3 ARG 4 HB3 ARG 4 -6.276 12.784 -1.889
34 HG3 ARG 4 HG3 ARG 4 -7.666 11.713 -4.221
35 HD3 ARG 4 HD3 ARG 4 -8.422 14.295 -3.038
36 HE ARG 4 HE ARG 4 -9.774 12.061 -4.114
37 HH11 ARG 4 HH11 ARG 4 -10.093 14.528 -1.679
38 HH12 ARG 4 HH12 ARG 4 -11.824 14.524 -1.715
39 HH21 ARG 4 HH22 ARG 4 -12.056 12.048 -4.172
40 HH22 ARG 4 HH21 ARG 4 -12.939 13.112 -3.132
41 H ARG 5 H ARG 5 -4.363 12.134 -0.960
42 HA ARG 5 HA ARG 5 -3.076 14.718 -0.451
43 HB3 ARG 5 HB3 ARG 5 -3.300 13.864 1.992
44 HG3 ARG 5 HG3 ARG 5 -5.684 14.502 2.131
45 HD3 ARG 5 HD3 ARG 5 -3.508 16.069 1.282
46 HE ARG 5 HE ARG 5 -4.322 16.950 -0.667
47 HH11 ARG 5 HH11 ARG 5 -6.915 16.695 1.641
48 HH12 ARG 5 HH12 ARG 5 -8.046 17.571 0.664
49 HH21 ARG 5 HH22 ARG 5 -5.802 18.105 -1.963
50 HH22 ARG 5 HH21 ARG 5 -7.412 18.372 -1.387
51 H ARG 6 H ARG 6 -1.705 12.577 -1.859
52 HA ARG 6 HA ARG 6 0.323 11.546 -1.914
53 HB3 ARG 6 HB3 ARG 6 2.121 12.534 -0.623
54 HG3 ARG 6 HG3 ARG 6 0.302 14.848 -1.168
55 HD3 ARG 6 HD3 ARG 6 3.131 14.625 -2.054
56 HE ARG 6 HE ARG 6 1.394 16.698 -2.042
57 HH11 ARG 6 HH11 ARG 6 4.400 16.081 -0.398
58 HH12 ARG 6 HH12 ARG 6 4.852 17.753 -0.323
59 HH21 ARG 6 HH22 ARG 6 1.978 18.901 -1.949
60 HH22 ARG 6 HH21 ARG 6 3.474 19.356 -1.205
61 HA PRO 7 HA PRO 7 -0.986 8.758 1.577
62 HB3 PRO 7 HB3 PRO 7 -2.642 7.794 0.308
63 HG3 PRO 7 HG3 PRO 7 -2.564 7.859 -2.015
64 HD3 PRO 7 HD3 PRO 7 -2.202 10.087 -1.542
65 HA PRO 8 HA PRO 8 2.853 6.663 2.024
66 HB3 PRO 8 HB3 PRO 8 2.051 5.762 3.979
67 HG3 PRO 8 HG3 PRO 8 -0.156 5.052 4.155
68 HD3 PRO 8 HD3 PRO 8 -0.486 7.158 3.278
69 H CYS 9 H CYS 9 0.418 4.410 0.707
70 HA CYS 9 HA CYS 9 2.153 2.629 -0.523
71 HB3 CYS 9 HB3 CYS 9 -0.331 3.197 -2.011
72 H GLU 10 H GLU 10 1.202 5.821 -1.478
73 HA GLU 10 HA GLU 10 2.078 5.552 -4.208
74 HB3 GLU 10 HB3 GLU 10 1.377 7.999 -2.578
75 HG3 GLU 10 HG3 GLU 10 0.880 8.593 -5.209
76 H ASP 11 H ASP 11 3.253 7.410 -1.401
77 HA ASP 11 HA ASP 11 5.580 8.411 -2.485
78 HB3 ASP 11 HB3 ASP 11 6.220 7.713 0.170
79 H VAL 12 H VAL 12 5.146 5.309 -0.797
80 HA VAL 12 HA VAL 12 7.855 4.493 -1.414
81 HB VAL 12 HB VAL 12 7.394 2.490 -0.184
82 HG11 VAL 12 HG11 VAL 12 6.183 4.937 1.089
83 HG12 VAL 12 HG12 VAL 12 6.532 3.449 1.970
84 HG13 VAL 12 HG13 VAL 12 7.844 4.359 1.222
85 HG21 VAL 12 HG21 VAL 12 5.380 1.569 -0.531
86 HG22 VAL 12 HG22 VAL 12 4.839 2.599 0.793
87 HG23 VAL 12 HG23 VAL 12 4.625 3.124 -0.877
88 H ASN 13 H ASN 13 4.827 4.360 -2.934
89 HA ASN 13 HA ASN 13 4.000 3.247 -4.742
90 HB3 ASN 13 HB3 ASN 13 5.452 3.090 -6.600
91 HD21 ASN 13 HD22 ASN 13 7.803 4.567 -4.511
92 HD22 ASN 13 HD21 ASN 13 7.496 6.199 -4.983
93 H GLY 14 H GLY 14 3.378 1.507 -3.217
94 HA2 GLY 14 HA2 GLY 14 4.999 -0.929 -3.495
95 HA3 GLY 14 HA3 GLY 14 3.737 -0.669 -2.299
96 H GLN 15 H GLN 15 3.229 -2.908 -3.178
97 HA GLN 15 HA GLN 15 1.541 -2.692 -5.581
98 HB3 GLN 15 HB3 GLN 15 1.883 -5.017 -5.974
99 HG3 GLN 15 HG3 GLN 15 4.597 -4.236 -4.997
100 HE21 GLN 15 HE22 GLN 15 5.121 -6.429 -5.121
101 HE22 GLN 15 HE21 GLN 15 5.276 -7.242 -6.638
102 H CYS 16 H CYS 16 -0.588 -3.073 -5.432
103 HA CYS 16 HA CYS 16 -1.737 -3.430 -2.809
104 HB3 CYS 16 HB3 CYS 16 -3.915 -3.217 -4.074
105 H GLN 17 H GLN 17 -1.190 -5.541 -2.230
106 HA GLN 17 HA GLN 17 -2.512 -7.653 -3.804
107 HB3 GLN 17 HB3 GLN 17 -0.758 -9.059 -3.478
108 HG3 GLN 17 HG3 GLN 17 0.863 -6.674 -2.685
109 HE21 GLN 17 HE22 GLN 17 1.777 -7.393 -5.623
110 HE22 GLN 17 HE21 GLN 17 2.940 -8.638 -5.335
111 HA PRO 18 HA PRO 18 -5.047 -8.718 -0.388
112 HB3 PRO 18 HB3 PRO 18 -5.924 -10.400 -1.684
113 HG3 PRO 18 HG3 PRO 18 -4.576 -11.636 -3.119
114 HD3 PRO 18 HD3 PRO 18 -3.953 -9.502 -3.728
115 H ARG 19 H ARG 19 -5.092 -10.682 1.393
116 HA ARG 19 HA ARG 19 -2.591 -10.313 2.870
117 HB3 ARG 19 HB3 ARG 19 -4.321 -9.653 4.261
118 HG3 ARG 19 HG3 ARG 19 -6.215 -10.307 2.895
119 HD3 ARG 19 HD3 ARG 19 -5.611 -13.081 3.907
120 HE ARG 19 HE ARG 19 -8.126 -12.167 3.465
121 HH11 ARG 19 HH11 ARG 19 -6.056 -14.438 1.827
122 HH12 ARG 19 HH12 ARG 19 -7.366 -15.411 1.244
123 HH21 ARG 19 HH22 ARG 19 -9.858 -13.441 2.704
124 HH22 ARG 19 HH21 ARG 19 -9.529 -14.841 1.742
125 H GLY 20 H GLY 20 -2.366 -12.119 0.815
126 HA2 GLY 20 HA2 GLY 20 -1.897 -14.587 2.321
127 HA3 GLY 20 HA3 GLY 20 -2.886 -14.694 0.871
128 H ASN 21 H ASN 21 -0.065 -12.627 1.351
129 HA ASN 21 HA ASN 21 1.412 -14.282 -0.582
130 HB3 ASN 21 HB3 ASN 21 1.099 -12.609 -2.065
131 HD21 ASN 21 HD22 ASN 21 -0.765 -11.620 -2.344
132 HD22 ASN 21 HD21 ASN 21 -1.372 -10.315 -1.389
133 HA PRO 22 HA PRO 22 4.750 -14.073 2.267
134 HB3 PRO 22 HB3 PRO 22 5.757 -15.703 0.998
135 HG3 PRO 22 HG3 PRO 22 5.536 -15.727 -1.316
136 HD3 PRO 22 HD3 PRO 22 3.323 -15.511 -0.710
137 H CYS 23 H CYS 23 4.226 -11.719 -0.108
138 HA CYS 23 HA CYS 23 6.526 -10.134 0.074
139 HB3 CYS 23 HB3 CYS 23 4.558 -9.920 -1.551
140 H LEU 24 H LEU 24 5.843 -7.634 0.883
141 HA LEU 24 HA LEU 24 5.579 -7.985 3.786
142 HB3 LEU 24 HB3 LEU 24 6.788 -5.745 2.172
143 HG LEU 24 HG LEU 24 5.941 -4.856 4.309
144 HD11 LEU 24 HD11 LEU 24 6.153 -7.084 5.496
145 HD12 LEU 24 HD12 LEU 24 6.660 -5.659 6.401
146 HD13 LEU 24 HD13 LEU 24 7.869 -6.715 5.672
147 HD21 LEU 24 HD21 LEU 24 8.269 -4.163 5.186
148 HD22 LEU 24 HD22 LEU 24 7.804 -3.702 3.549
149 HD23 LEU 24 HD23 LEU 24 8.885 -5.072 3.806
150 H ARG 25 H ARG 25 4.397 -6.386 5.008
151 HA ARG 25 HA ARG 25 2.113 -5.329 3.488
152 HB3 ARG 25 HB3 ARG 25 1.471 -5.178 6.189
153 HG3 ARG 25 HG3 ARG 25 0.175 -6.100 4.125
154 HD3 ARG 25 HD3 ARG 25 1.827 -8.089 4.051
155 HE ARG 25 HE ARG 25 0.666 -8.646 6.550
156 HH11 ARG 25 HH11 ARG 25 1.488 -10.219 3.556
157 HH12 ARG 25 HH12 ARG 25 1.714 -11.775 4.283
158 HH21 ARG 25 HH22 ARG 25 0.962 -10.689 7.521
159 HH22 ARG 25 HH21 ARG 25 1.414 -12.041 6.540
160 H LEU 26 H LEU 26 1.322 -3.236 3.925
161 HA LEU 26 HA LEU 26 3.220 -1.463 5.316
162 HB3 LEU 26 HB3 LEU 26 2.342 0.275 3.612
163 HG LEU 26 HG LEU 26 4.492 -1.657 3.271
164 HD11 LEU 26 HD11 LEU 26 3.062 -1.883 1.137
165 HD12 LEU 26 HD12 LEU 26 4.791 -1.591 0.971
166 HD13 LEU 26 HD13 LEU 26 3.651 -0.265 0.758
167 HD21 LEU 26 HD21 LEU 26 4.912 0.558 4.072
168 HD22 LEU 26 HD22 LEU 26 4.121 1.273 2.668
169 HD23 LEU 26 HD23 LEU 26 5.644 0.406 2.473
170 H ARG 27 H ARG 27 0.077 -0.856 3.786
171 HA ARG 27 HA ARG 27 -1.287 -0.633 6.307
172 HB3 ARG 27 HB3 ARG 27 -1.925 1.835 5.636
173 HG3 ARG 27 HG3 ARG 27 -0.265 0.798 7.556
174 HD3 ARG 27 HD3 ARG 27 1.201 3.137 6.387
175 HE ARG 27 HE ARG 27 2.608 1.211 7.971
176 HH11 ARG 27 HH11 ARG 27 0.546 4.012 8.080
177 HH12 ARG 27 HH12 ARG 27 1.084 4.511 9.649
178 HH21 ARG 27 HH22 ARG 27 3.326 1.855 10.038
179 HH22 ARG 27 HH21 ARG 27 2.666 3.283 10.762
180 H GLY 28 H GLY 28 -3.500 0.710 5.717
181 HA2 GLY 28 HA2 GLY 28 -4.671 -0.910 3.590
182 HA3 GLY 28 HA3 GLY 28 -5.551 0.011 4.801
183 H ALA 29 H ALA 29 -2.997 1.068 2.577
184 HA ALA 29 HA ALA 29 -4.735 3.244 1.701
185 HB1 ALA 29 HB1 ALA 29 -2.452 3.792 0.447
186 HB2 ALA 29 HB2 ALA 29 -2.732 4.219 2.135
187 HB3 ALA 29 HB3 ALA 29 -1.812 2.769 1.733
188 H CYS 30 H CYS 30 -5.268 0.533 0.812
189 HA CYS 30 HA CYS 30 -4.908 0.931 -2.084
190 HB3 CYS 30 HB3 CYS 30 -5.150 -1.738 -1.986
191 HA PRO 31 HA PRO 31 -9.237 0.439 -2.602
192 HB3 PRO 31 HB3 PRO 31 -8.901 0.590 -4.870
193 HG3 PRO 31 HG3 PRO 31 -7.069 -0.421 -5.882
194 HD3 PRO 31 HD3 PRO 31 -6.008 0.708 -4.175
195 H ARG 32 H ARG 32 -11.018 -0.979 -2.384
196 HA ARG 32 HA ARG 32 -10.775 -3.059 -0.611
197 HB3 ARG 32 HB3 ARG 32 -12.918 -2.060 -1.016
198 HG3 ARG 32 HG3 ARG 32 -14.052 -3.059 -3.247
199 HD3 ARG 32 HD3 ARG 32 -12.830 -0.616 -4.016
200 HE ARG 32 HE ARG 32 -15.472 -1.505 -3.399
201 HH11 ARG 32 HH11 ARG 32 -13.502 1.318 -3.915
202 HH12 ARG 32 HH12 ARG 32 -14.829 2.313 -4.420
203 HH21 ARG 32 HH22 ARG 32 -17.228 -0.207 -4.060
204 HH22 ARG 32 HH21 ARG 32 -16.948 1.444 -4.501
205 H GLY 33 H GLY 33 -10.624 -5.281 -0.727
206 HA2 GLY 33 HA2 GLY 33 -10.524 -7.369 -1.838
207 HA3 GLY 33 HA3 GLY 33 -10.329 -6.519 -3.364
208 H SER 34 H SER 34 -8.267 -4.829 -1.722
209 HA SER 34 HA SER 34 -6.092 -6.742 -1.487
210 HB3 SER 34 HB3 SER 34 -5.854 -6.317 -3.806
211 HG SER 34 HG SER 34 -7.250 -4.348 -3.650
212 H ARG 35 H ARG 35 -4.043 -5.618 -0.783
213 HA ARG 35 HA ARG 35 -4.586 -3.135 0.685
214 HB3 ARG 35 HB3 ARG 35 -4.867 -5.032 2.239
215 HG3 ARG 35 HG3 ARG 35 -2.059 -5.677 1.412
216 HD3 ARG 35 HD3 ARG 35 -1.986 -5.528 3.816
217 HE ARG 35 HE ARG 35 -4.600 -6.141 3.931
218 HH11 ARG 35 HH11 ARG 35 -1.765 -7.708 5.209
219 HH12 ARG 35 HH12 ARG 35 -2.591 -8.372 6.580
220 HH21 ARG 35 HH22 ARG 35 -5.697 -7.010 5.732
221 HH22 ARG 35 HH21 ARG 35 -4.828 -7.976 6.875
222 H CYS 36 H CYS 36 -2.640 -1.987 1.347
223 HA CYS 36 HA CYS 36 -0.714 -1.889 -0.728
224 HB3 CYS 36 HB3 CYS 36 -0.550 -0.624 2.014
225 H CYS 37 H CYS 37 0.746 -3.441 -1.023
226 HA CYS 37 HA CYS 37 2.181 -4.465 1.341
227 HB3 CYS 37 HB3 CYS 37 0.880 -5.860 -0.867
228 H MET 38 H MET 38 4.368 -4.429 1.318
229 HA MET 38 HA MET 38 5.653 -2.860 -0.722
230 HB3 MET 38 HB3 MET 38 7.493 -4.143 1.099
231 HG3 MET 38 HG3 MET 38 7.108 -1.465 1.839
232 HE1 MET 38 HE1 MET 38 8.785 -1.679 3.095
233 HE2 MET 38 HE2 MET 38 10.318 -2.507 2.814
234 HE3 MET 38 HE3 MET 38 10.170 -0.784 2.468
235 HA PRO 39 HA PRO 39 7.036 -6.150 -3.301
236 HB3 PRO 39 HB3 PRO 39 7.493 -4.531 -4.864
237 HG3 PRO 39 HG3 PRO 39 8.260 -2.430 -4.228
238 HD3 PRO 39 HD3 PRO 39 6.443 -2.629 -2.826
239 H THR 40 H THR 40 9.275 -7.151 -3.959
240 HA THR 40 HA THR 40 10.606 -7.846 -1.455
241 HB THR 40 HB THR 40 11.768 -9.509 -3.202
242 HG1 THR 40 HG1 THR 40 10.796 -9.423 -5.072
243 HG21 THR 40 HG21 THR 40 9.843 -9.709 -1.241
244 HG22 THR 40 HG22 THR 40 10.610 -11.060 -2.073
245 HG23 THR 40 HG23 THR 40 9.062 -10.437 -2.644
246 H VAL 41 H VAL 41 11.670 -5.692 -1.449
247 HA VAL 41 HA VAL 41 14.217 -5.852 -2.899
248 HB VAL 41 HB VAL 41 14.212 -3.484 -3.392
249 HG11 VAL 41 HG11 VAL 41 13.067 -3.748 -5.300
250 HG12 VAL 41 HG12 VAL 41 12.713 -5.366 -4.690
251 HG13 VAL 41 HG13 VAL 41 11.551 -4.060 -4.457
252 HG21 VAL 41 HG21 VAL 41 12.973 -2.074 -2.205
253 HG22 VAL 41 HG22 VAL 41 11.521 -2.733 -2.959
254 HG23 VAL 41 HG23 VAL 41 12.122 -3.421 -1.450
255 H ALA 42 H ALA 42 15.540 -3.737 -1.979
256 HA ALA 42 HA ALA 42 15.634 -4.218 0.916
257 HB1 ALA 42 HB1 ALA 42 17.823 -2.767 -0.459
258 HB2 ALA 42 HB2 ALA 42 17.891 -3.945 0.853
259 HB3 ALA 42 HB3 ALA 42 17.636 -4.485 -0.807
260 H ALA 43 H ALA 43 15.268 -1.718 -1.494
261 HA ALA 43 HA ALA 43 14.472 0.415 -1.326
262 HB1 ALA 43 HB1 ALA 43 14.216 0.124 1.645
263 HB2 ALA 43 HB2 ALA 43 13.245 1.087 0.532
264 HB3 ALA 43 HB3 ALA 43 13.083 -0.670 0.549
265 H HIS 44 H HIS 44 16.131 0.013 1.803
266 HA HIS 44 HA HIS 44 18.369 1.613 0.895
267 HB3 HIS 44 HB3 HIS 44 17.116 2.638 3.389
268 HD1 HIS 44 HD1 HIS 44 19.370 3.744 3.893
269 HD2 HIS 44 HD2 HIS 44 17.803 4.765 0.183
270 HE1 HIS 44 HE1 HIS 44 20.765 5.672 3.081
Start of MODEL 19
1 H1 ARG 1 H1 ARG 1 -9.368 9.577 3.377
2 HA ARG 1 HA ARG 1 -9.889 10.907 0.815
3 HB3 ARG 1 HB3 ARG 1 -9.434 12.435 2.620
4 HG3 ARG 1 HG3 ARG 1 -7.206 10.592 3.225
5 HD3 ARG 1 HD3 ARG 1 -7.003 13.507 3.931
6 HE ARG 1 HE ARG 1 -5.389 12.588 5.250
7 HH11 ARG 1 HH11 ARG 1 -5.435 10.887 2.212
8 HH12 ARG 1 HH12 ARG 1 -4.049 9.917 2.586
9 HH21 ARG 1 HH22 ARG 1 -3.563 11.316 5.753
10 HH22 ARG 1 HH21 ARG 1 -2.986 10.160 4.600
11 H ARG 2 H ARG 2 -9.118 8.215 0.718
12 HA ARG 2 HA ARG 2 -6.355 7.809 0.406
13 HB3 ARG 2 HB3 ARG 2 -7.073 5.836 -1.000
14 HG3 ARG 2 HG3 ARG 2 -7.337 6.186 1.738
15 HD3 ARG 2 HD3 ARG 2 -9.915 5.995 0.785
16 HE ARG 2 HE ARG 2 -10.177 3.748 0.390
17 HH11 ARG 2 HH11 ARG 2 -8.380 4.210 3.335
18 HH12 ARG 2 HH12 ARG 2 -8.456 2.543 3.797
19 HH21 ARG 2 HH22 ARG 2 -10.283 1.549 0.986
20 HH22 ARG 2 HH21 ARG 2 -9.538 1.030 2.460
21 H ARG 3 H ARG 3 -4.983 8.462 -1.110
22 HA ARG 3 HA ARG 3 -4.132 9.309 -3.042
23 HB3 ARG 3 HB3 ARG 3 -5.966 8.884 -5.046
24 HG3 ARG 3 HG3 ARG 3 -4.389 6.527 -4.185
25 HD3 ARG 3 HD3 ARG 3 -5.295 7.821 -6.655
26 HE ARG 3 HE ARG 3 -2.508 7.268 -6.415
27 HH11 ARG 3 HH11 ARG 3 -5.230 7.071 -8.576
28 HH12 ARG 3 HH12 ARG 3 -4.261 7.134 -10.011
29 HH21 ARG 3 HH22 ARG 3 -1.223 7.351 -8.297
30 HH22 ARG 3 HH21 ARG 3 -1.982 7.292 -9.850
31 H ARG 4 H ARG 4 -4.167 11.471 -2.578
32 HA ARG 4 HA ARG 4 -5.781 13.150 -4.150
33 HB3 ARG 4 HB3 ARG 4 -6.527 13.987 -1.499
34 HG3 ARG 4 HG3 ARG 4 -7.842 13.467 -4.078
35 HD3 ARG 4 HD3 ARG 4 -9.069 12.689 -1.562
36 HE ARG 4 HE ARG 4 -10.200 15.006 -2.847
37 HH11 ARG 4 HH11 ARG 4 -10.847 12.155 -0.957
38 HH12 ARG 4 HH12 ARG 4 -12.326 12.770 -0.296
39 HH21 ARG 4 HH22 ARG 4 -12.144 15.826 -1.984
40 HH22 ARG 4 HH21 ARG 4 -13.064 14.858 -0.882
41 H ARG 5 H ARG 5 -3.953 12.911 -1.126
42 HA ARG 5 HA ARG 5 -2.689 15.495 -1.753
43 HB3 ARG 5 HB3 ARG 5 -1.953 15.343 0.705
44 HG3 ARG 5 HG3 ARG 5 -4.924 15.459 0.590
45 HD3 ARG 5 HD3 ARG 5 -3.276 17.686 1.584
46 HE ARG 5 HE ARG 5 -5.789 16.481 2.274
47 HH11 ARG 5 HH11 ARG 5 -3.213 18.546 3.378
48 HH12 ARG 5 HH12 ARG 5 -4.201 19.380 4.532
49 HH21 ARG 5 HH22 ARG 5 -7.099 17.570 3.789
50 HH22 ARG 5 HH21 ARG 5 -6.411 18.824 4.765
51 H ARG 6 H ARG 6 -1.683 12.666 0.162
52 HA ARG 6 HA ARG 6 0.373 11.856 -1.599
53 HB3 ARG 6 HB3 ARG 6 1.517 13.155 0.844
54 HG3 ARG 6 HG3 ARG 6 2.563 11.883 -1.503
55 HD3 ARG 6 HD3 ARG 6 4.422 13.666 -1.720
56 HE ARG 6 HE ARG 6 2.222 13.251 -3.288
57 HH11 ARG 6 HH11 ARG 6 4.165 16.010 -2.437
58 HH12 ARG 6 HH12 ARG 6 3.892 16.830 -3.939
59 HH21 ARG 6 HH22 ARG 6 1.853 14.318 -5.269
60 HH22 ARG 6 HH21 ARG 6 2.575 15.867 -5.549
61 HA PRO 7 HA PRO 7 -0.918 8.948 1.795
62 HB3 PRO 7 HB3 PRO 7 -2.702 8.177 0.569
63 HG3 PRO 7 HG3 PRO 7 -2.746 8.384 -1.747
64 HD3 PRO 7 HD3 PRO 7 -2.204 10.548 -1.165
65 HA PRO 8 HA PRO 8 2.783 6.576 1.893
66 HB3 PRO 8 HB3 PRO 8 2.024 5.606 3.833
67 HG3 PRO 8 HG3 PRO 8 -0.214 5.034 4.090
68 HD3 PRO 8 HD3 PRO 8 -0.444 7.209 3.363
69 H CYS 9 H CYS 9 0.125 4.591 0.574
70 HA CYS 9 HA CYS 9 1.679 2.786 -0.862
71 HB3 CYS 9 HB3 CYS 9 -0.818 3.522 -2.207
72 H GLU 10 H GLU 10 0.942 6.092 -1.518
73 HA GLU 10 HA GLU 10 1.585 5.958 -4.327
74 HB3 GLU 10 HB3 GLU 10 1.143 8.297 -2.467
75 HG3 GLU 10 HG3 GLU 10 2.208 8.275 -5.138
76 H ASP 11 H ASP 11 3.079 7.579 -1.522
77 HA ASP 11 HA ASP 11 5.414 8.420 -2.741
78 HB3 ASP 11 HB3 ASP 11 6.175 7.672 -0.150
79 H VAL 12 H VAL 12 5.074 5.467 -0.763
80 HA VAL 12 HA VAL 12 7.582 4.411 -1.592
81 HB VAL 12 HB VAL 12 6.978 2.406 -0.407
82 HG11 VAL 12 HG11 VAL 12 6.078 4.940 0.941
83 HG12 VAL 12 HG12 VAL 12 6.242 3.404 1.792
84 HG13 VAL 12 HG13 VAL 12 7.652 4.153 1.042
85 HG21 VAL 12 HG21 VAL 12 4.411 2.897 0.608
86 HG22 VAL 12 HG22 VAL 12 4.310 3.191 -1.128
87 HG23 VAL 12 HG23 VAL 12 4.895 1.638 -0.528
88 H ASN 13 H ASN 13 4.616 4.622 -3.145
89 HA ASN 13 HA ASN 13 3.615 3.488 -4.875
90 HB3 ASN 13 HB3 ASN 13 5.303 4.755 -6.052
91 HD21 ASN 13 HD22 ASN 13 7.147 5.280 -4.893
92 HD22 ASN 13 HD21 ASN 13 8.600 4.355 -5.004
93 H GLY 14 H GLY 14 3.560 1.702 -2.995
94 HA2 GLY 14 HA2 GLY 14 5.061 -0.683 -3.689
95 HA3 GLY 14 HA3 GLY 14 3.910 -0.518 -2.372
96 H GLN 15 H GLN 15 3.389 -2.735 -3.287
97 HA GLN 15 HA GLN 15 1.623 -2.567 -5.622
98 HB3 GLN 15 HB3 GLN 15 1.712 -5.223 -4.920
99 HG3 GLN 15 HG3 GLN 15 3.823 -5.146 -6.574
100 HE21 GLN 15 HE22 GLN 15 1.763 -3.527 -8.516
101 HE22 GLN 15 HE21 GLN 15 0.744 -4.827 -9.023
102 H CYS 16 H CYS 16 -0.356 -4.029 -5.487
103 HA CYS 16 HA CYS 16 -1.594 -3.774 -2.824
104 HB3 CYS 16 HB3 CYS 16 -3.756 -3.399 -4.031
105 H GLN 17 H GLN 17 -2.209 -5.641 -1.974
106 HA GLN 17 HA GLN 17 -3.561 -7.660 -3.447
107 HB3 GLN 17 HB3 GLN 17 -1.651 -8.567 -4.305
108 HG3 GLN 17 HG3 GLN 17 -0.107 -7.707 -1.868
109 HE21 GLN 17 HE22 GLN 17 1.385 -7.457 -4.851
110 HE22 GLN 17 HE21 GLN 17 2.364 -8.877 -4.774
111 HA PRO 18 HA PRO 18 -4.938 -8.813 0.554
112 HB3 PRO 18 HB3 PRO 18 -6.351 -10.313 -0.463
113 HG3 PRO 18 HG3 PRO 18 -5.671 -11.533 -2.321
114 HD3 PRO 18 HD3 PRO 18 -5.068 -9.412 -2.996
115 H ARG 19 H ARG 19 -4.596 -10.787 2.217
116 HA ARG 19 HA ARG 19 -1.805 -10.633 2.942
117 HB3 ARG 19 HB3 ARG 19 -3.563 -10.370 4.642
118 HG3 ARG 19 HG3 ARG 19 -4.266 -13.007 5.238
119 HD3 ARG 19 HD3 ARG 19 -5.898 -10.797 3.994
120 HE ARG 19 HE ARG 19 -7.547 -12.361 4.156
121 HH11 ARG 19 HH11 ARG 19 -5.386 -12.740 6.860
122 HH12 ARG 19 HH12 ARG 19 -6.355 -13.954 7.629
123 HH21 ARG 19 HH22 ARG 19 -8.829 -13.960 5.160
124 HH22 ARG 19 HH21 ARG 19 -8.311 -14.647 6.662
125 H GLY 20 H GLY 20 -3.545 -12.632 0.968
126 HA2 GLY 20 HA2 GLY 20 -2.283 -15.131 1.721
127 HA3 GLY 20 HA3 GLY 20 -3.360 -14.872 0.356
128 H ASN 21 H ASN 21 -0.234 -13.453 1.313
129 HA ASN 21 HA ASN 21 1.159 -14.697 -0.855
130 HB3 ASN 21 HB3 ASN 21 0.373 -13.150 -2.362
131 HD21 ASN 21 HD22 ASN 21 -1.549 -12.213 -2.240
132 HD22 ASN 21 HD21 ASN 21 -1.914 -10.787 -1.336
133 HA PRO 22 HA PRO 22 4.628 -13.834 1.691
134 HB3 PRO 22 HB3 PRO 22 5.865 -15.142 0.266
135 HG3 PRO 22 HG3 PRO 22 5.496 -15.098 -2.030
136 HD3 PRO 22 HD3 PRO 22 3.335 -15.396 -1.285
137 H CYS 23 H CYS 23 3.686 -11.572 -0.746
138 HA CYS 23 HA CYS 23 5.533 -9.541 -0.503
139 HB3 CYS 23 HB3 CYS 23 2.669 -8.743 -0.587
140 H LEU 24 H LEU 24 6.037 -8.037 0.984
141 HA LEU 24 HA LEU 24 5.297 -8.349 3.661
142 HB3 LEU 24 HB3 LEU 24 6.141 -5.647 2.965
143 HG LEU 24 HG LEU 24 6.523 -6.971 5.188
144 HD11 LEU 24 HD11 LEU 24 7.699 -8.835 4.014
145 HD12 LEU 24 HD12 LEU 24 8.609 -8.117 5.343
146 HD13 LEU 24 HD13 LEU 24 9.018 -7.715 3.677
147 HD21 LEU 24 HD21 LEU 24 7.376 -4.906 5.410
148 HD22 LEU 24 HD22 LEU 24 8.095 -4.917 3.800
149 HD23 LEU 24 HD23 LEU 24 8.925 -5.708 5.140
150 H ARG 25 H ARG 25 4.610 -6.086 4.838
151 HA ARG 25 HA ARG 25 2.027 -5.342 3.627
152 HB3 ARG 25 HB3 ARG 25 1.769 -6.797 5.608
153 HG3 ARG 25 HG3 ARG 25 2.163 -5.564 7.845
154 HD3 ARG 25 HD3 ARG 25 4.805 -6.308 7.290
155 HE ARG 25 HE ARG 25 2.868 -7.201 8.975
156 HH11 ARG 25 HH11 ARG 25 5.133 -8.751 6.832
157 HH12 ARG 25 HH12 ARG 25 5.266 -10.184 7.797
158 HH21 ARG 25 HH22 ARG 25 3.033 -9.082 10.254
159 HH22 ARG 25 HH21 ARG 25 4.070 -10.372 9.743
160 H LEU 26 H LEU 26 1.243 -3.212 4.093
161 HA LEU 26 HA LEU 26 3.255 -1.318 5.079
162 HB3 LEU 26 HB3 LEU 26 2.146 0.148 3.117
163 HG LEU 26 HG LEU 26 4.639 -1.411 3.205
164 HD11 LEU 26 HD11 LEU 26 4.700 -2.001 1.068
165 HD12 LEU 26 HD12 LEU 26 4.674 -0.288 0.649
166 HD13 LEU 26 HD13 LEU 26 3.164 -1.195 0.744
167 HD21 LEU 26 HD21 LEU 26 5.450 0.846 2.320
168 HD22 LEU 26 HD22 LEU 26 4.773 0.803 3.948
169 HD23 LEU 26 HD23 LEU 26 3.803 1.408 2.606
170 H ARG 27 H ARG 27 0.079 -0.913 3.537
171 HA ARG 27 HA ARG 27 -1.218 -0.312 6.031
172 HB3 ARG 27 HB3 ARG 27 -1.886 2.026 5.007
173 HG3 ARG 27 HG3 ARG 27 -0.176 1.295 7.021
174 HD3 ARG 27 HD3 ARG 27 1.258 3.441 5.508
175 HE ARG 27 HE ARG 27 2.696 1.692 7.272
176 HH11 ARG 27 HH11 ARG 27 0.708 4.542 7.078
177 HH12 ARG 27 HH12 ARG 27 1.315 5.226 8.550
178 HH21 ARG 27 HH22 ARG 27 3.506 2.581 9.211
179 HH22 ARG 27 HH21 ARG 27 2.908 4.110 9.761
180 H GLY 28 H GLY 28 -3.467 0.866 5.353
181 HA2 GLY 28 HA2 GLY 28 -4.634 -0.990 3.409
182 HA3 GLY 28 HA3 GLY 28 -5.517 -0.065 4.615
183 H ALA 29 H ALA 29 -3.136 1.633 2.819
184 HA ALA 29 HA ALA 29 -4.956 3.515 1.813
185 HB1 ALA 29 HB1 ALA 29 -2.084 2.991 1.570
186 HB2 ALA 29 HB2 ALA 29 -2.797 3.824 0.187
187 HB3 ALA 29 HB3 ALA 29 -2.948 4.511 1.804
188 H CYS 30 H CYS 30 -3.867 0.475 0.560
189 HA CYS 30 HA CYS 30 -4.438 0.881 -2.173
190 HB3 CYS 30 HB3 CYS 30 -4.834 -1.771 -1.911
191 HA PRO 31 HA PRO 31 -8.802 0.613 -2.521
192 HB3 PRO 31 HB3 PRO 31 -8.541 0.650 -4.804
193 HG3 PRO 31 HG3 PRO 31 -6.803 -0.502 -5.831
194 HD3 PRO 31 HD3 PRO 31 -5.622 0.635 -4.212
195 H ARG 32 H ARG 32 -10.665 -0.728 -2.265
196 HA ARG 32 HA ARG 32 -10.474 -2.731 -0.382
197 HB3 ARG 32 HB3 ARG 32 -12.779 -3.211 -0.803
198 HG3 ARG 32 HG3 ARG 32 -11.957 -0.650 -0.359
199 HD3 ARG 32 HD3 ARG 32 -12.453 -0.365 -2.905
200 HE ARG 32 HE ARG 32 -15.046 -1.014 -2.044
201 HH11 ARG 32 HH11 ARG 32 -13.371 1.356 -3.967
202 HH12 ARG 32 HH12 ARG 32 -14.729 1.671 -4.996
203 HH21 ARG 32 HH22 ARG 32 -16.840 -0.609 -3.392
204 HH22 ARG 32 HH21 ARG 32 -16.702 0.554 -4.667
205 H GLY 33 H GLY 33 -10.598 -4.992 -0.433
206 HA2 GLY 33 HA2 GLY 33 -10.598 -7.111 -1.456
207 HA3 GLY 33 HA3 GLY 33 -10.374 -6.331 -3.016
208 H SER 34 H SER 34 -8.167 -4.692 -1.644
209 HA SER 34 HA SER 34 -6.117 -6.745 -1.325
210 HB3 SER 34 HB3 SER 34 -5.102 -6.394 -3.293
211 HG SER 34 HG SER 34 -7.209 -4.566 -3.834
212 H ARG 35 H ARG 35 -3.989 -5.744 -0.686
213 HA ARG 35 HA ARG 35 -4.347 -3.200 0.739
214 HB3 ARG 35 HB3 ARG 35 -3.398 -4.049 2.748
215 HG3 ARG 35 HG3 ARG 35 -5.780 -5.115 1.799
216 HD3 ARG 35 HD3 ARG 35 -4.008 -7.234 1.917
217 HE ARG 35 HE ARG 35 -3.963 -7.744 4.156
218 HH11 ARG 35 HH11 ARG 35 -7.221 -6.982 3.194
219 HH12 ARG 35 HH12 ARG 35 -7.924 -7.508 4.687
220 HH21 ARG 35 HH22 ARG 35 -4.878 -8.442 6.126
221 HH22 ARG 35 HH21 ARG 35 -6.589 -8.339 6.355
222 H CYS 36 H CYS 36 -2.357 -2.105 1.260
223 HA CYS 36 HA CYS 36 -0.477 -2.189 -0.855
224 HB3 CYS 36 HB3 CYS 36 0.306 -0.849 1.669
225 H CYS 37 H CYS 37 1.057 -3.657 -1.128
226 HA CYS 37 HA CYS 37 2.289 -4.873 1.255
227 HB3 CYS 37 HB3 CYS 37 0.995 -6.302 -0.489
228 H MET 38 H MET 38 4.525 -5.084 1.365
229 HA MET 38 HA MET 38 5.993 -3.245 -0.378
230 HB3 MET 38 HB3 MET 38 7.330 -4.492 1.957
231 HG3 MET 38 HG3 MET 38 7.535 -2.066 0.413
232 HE1 MET 38 HE1 MET 38 8.710 -2.742 3.809
233 HE2 MET 38 HE2 MET 38 8.651 -1.180 4.626
234 HE3 MET 38 HE3 MET 38 7.272 -2.275 4.719
235 HA PRO 39 HA PRO 39 7.746 -6.699 -2.532
236 HB3 PRO 39 HB3 PRO 39 7.896 -5.289 -4.339
237 HG3 PRO 39 HG3 PRO 39 8.258 -3.010 -4.055
238 HD3 PRO 39 HD3 PRO 39 6.508 -3.319 -2.588
239 H THR 40 H THR 40 10.190 -7.264 -3.143
240 HA THR 40 HA THR 40 11.543 -7.542 -0.596
241 HB THR 40 HB THR 40 12.484 -8.589 -3.265
242 HG1 THR 40 HG1 THR 40 11.351 -10.526 -2.609
243 HG21 THR 40 HG21 THR 40 13.536 -8.681 -0.628
244 HG22 THR 40 HG22 THR 40 14.161 -9.456 -2.084
245 HG23 THR 40 HG23 THR 40 13.008 -10.308 -1.057
246 H VAL 41 H VAL 41 11.942 -5.148 -0.545
247 HA VAL 41 HA VAL 41 14.467 -4.532 -1.935
248 HB VAL 41 HB VAL 41 13.758 -2.106 -1.783
249 HG11 VAL 41 HG11 VAL 41 12.772 -2.157 -3.882
250 HG12 VAL 41 HG12 VAL 41 13.619 -3.704 -3.815
251 HG13 VAL 41 HG13 VAL 41 11.878 -3.638 -3.538
252 HG21 VAL 41 HG21 VAL 41 10.999 -3.268 -1.442
253 HG22 VAL 41 HG22 VAL 41 11.933 -2.561 -0.123
254 HG23 VAL 41 HG23 VAL 41 11.453 -1.565 -1.498
255 H ALA 42 H ALA 42 15.811 -2.914 -0.806
256 HA ALA 42 HA ALA 42 15.345 -2.735 2.078
257 HB1 ALA 42 HB1 ALA 42 17.632 -3.464 2.579
258 HB2 ALA 42 HB2 ALA 42 16.693 -4.738 1.801
259 HB3 ALA 42 HB3 ALA 42 17.885 -3.828 0.872
260 H ALA 43 H ALA 43 15.123 -0.739 0.088
261 HA ALA 43 HA ALA 43 17.483 0.943 0.616
262 HB1 ALA 43 HB1 ALA 43 16.474 2.312 -1.333
263 HB2 ALA 43 HB2 ALA 43 17.321 0.807 -1.692
264 HB3 ALA 43 HB3 ALA 43 15.558 0.845 -1.673
265 H HIS 44 H HIS 44 17.262 2.714 1.831
266 HA HIS 44 HA HIS 44 16.325 4.240 3.239
267 HB3 HIS 44 HB3 HIS 44 13.873 4.685 1.732
268 HD1 HIS 44 HD1 HIS 44 14.590 6.229 4.097
269 HD2 HIS 44 HD2 HIS 44 16.158 7.187 0.371
270 HE1 HIS 44 HE1 HIS 44 15.301 8.635 4.264
Start of MODEL 20
1 H1 ARG 1 H1 ARG 1 -10.220 7.355 -1.498
2 HA ARG 1 HA ARG 1 -8.060 8.653 -0.094
3 HB3 ARG 1 HB3 ARG 1 -7.477 6.598 1.212
4 HG3 ARG 1 HG3 ARG 1 -9.581 8.457 1.822
5 HD3 ARG 1 HD3 ARG 1 -10.568 7.141 3.679
6 HE ARG 1 HE ARG 1 -11.433 5.581 1.446
7 HH11 ARG 1 HH11 ARG 1 -11.421 8.780 2.820
8 HH12 ARG 1 HH12 ARG 1 -12.864 9.279 1.999
9 HH21 ARG 1 HH22 ARG 1 -13.332 6.226 0.360
10 HH22 ARG 1 HH21 ARG 1 -13.951 7.825 0.601
11 H ARG 2 H ARG 2 -7.212 8.780 -2.207
12 HA ARG 2 HA ARG 2 -5.500 6.658 -2.931
13 HB3 ARG 2 HB3 ARG 2 -7.026 6.858 -5.316
14 HG3 ARG 2 HG3 ARG 2 -6.036 4.778 -3.553
15 HD3 ARG 2 HD3 ARG 2 -8.494 4.356 -3.397
16 HE ARG 2 HE ARG 2 -8.447 4.674 -6.204
17 HH11 ARG 2 HH11 ARG 2 -9.870 2.722 -3.696
18 HH12 ARG 2 HH12 ARG 2 -11.295 2.353 -4.611
19 HH21 ARG 2 HH22 ARG 2 -10.319 4.196 -7.417
20 HH22 ARG 2 HH21 ARG 2 -11.549 3.192 -6.728
21 H ARG 3 H ARG 3 -3.887 8.135 -3.114
22 HA ARG 3 HA ARG 3 -2.568 9.737 -4.045
23 HB3 ARG 3 HB3 ARG 3 -2.809 10.194 -6.416
24 HG3 ARG 3 HG3 ARG 3 -3.732 7.382 -6.380
25 HD3 ARG 3 HD3 ARG 3 -1.180 8.548 -7.449
26 HE ARG 3 HE ARG 3 -2.491 6.017 -7.770
27 HH11 ARG 3 HH11 ARG 3 -0.364 8.332 -9.265
28 HH12 ARG 3 HH12 ARG 3 0.405 7.160 -10.285
29 HH21 ARG 3 HH22 ARG 3 -1.487 4.467 -9.107
30 HH22 ARG 3 HH21 ARG 3 -0.236 4.963 -10.195
31 H ARG 4 H ARG 4 -3.181 11.318 -2.531
32 HA ARG 4 HA ARG 4 -5.102 13.310 -3.547
33 HB3 ARG 4 HB3 ARG 4 -4.408 13.331 -0.669
34 HG3 ARG 4 HG3 ARG 4 -6.846 13.798 -2.323
35 HD3 ARG 4 HD3 ARG 4 -7.412 14.093 0.461
36 HE ARG 4 HE ARG 4 -8.822 12.065 -1.013
37 HH11 ARG 4 HH11 ARG 4 -8.416 15.486 -0.510
38 HH12 ARG 4 HH12 ARG 4 -9.999 15.892 -1.087
39 HH21 ARG 4 HH22 ARG 4 -10.908 12.585 -1.775
40 HH22 ARG 4 HH21 ARG 4 -11.416 14.240 -1.805
41 H ARG 5 H ARG 5 -2.147 12.924 -1.602
42 HA ARG 5 HA ARG 5 -1.044 15.312 -2.843
43 HB3 ARG 5 HB3 ARG 5 -1.243 15.043 0.162
44 HG3 ARG 5 HG3 ARG 5 0.739 16.325 -1.003
45 HD3 ARG 5 HD3 ARG 5 0.016 18.789 -1.048
46 HE ARG 5 HE ARG 5 -1.095 17.604 -3.416
47 HH11 ARG 5 HH11 ARG 5 1.836 18.270 -1.658
48 HH12 ARG 5 HH12 ARG 5 2.846 18.220 -3.064
49 HH21 ARG 5 HH22 ARG 5 0.225 17.535 -5.276
50 HH22 ARG 5 HH21 ARG 5 1.929 17.802 -5.122
51 H ARG 6 H ARG 6 -0.508 12.841 -0.337
52 HA ARG 6 HA ARG 6 1.790 11.793 -1.607
53 HB3 ARG 6 HB3 ARG 6 2.532 13.150 0.952
54 HG3 ARG 6 HG3 ARG 6 3.913 11.643 -0.994
55 HD3 ARG 6 HD3 ARG 6 5.822 13.429 -1.182
56 HE ARG 6 HE ARG 6 3.731 12.781 -2.994
57 HH11 ARG 6 HH11 ARG 6 6.398 14.961 -2.494
58 HH12 ARG 6 HH12 ARG 6 6.655 15.241 -4.184
59 HH21 ARG 6 HH22 ARG 6 4.059 13.141 -5.221
60 HH22 ARG 6 HH21 ARG 6 5.323 14.205 -5.735
61 HA PRO 7 HA PRO 7 -0.355 9.193 1.601
62 HB3 PRO 7 HB3 PRO 7 -1.924 8.466 0.088
63 HG3 PRO 7 HG3 PRO 7 -1.504 8.529 -2.198
64 HD3 PRO 7 HD3 PRO 7 -0.921 10.685 -1.627
65 HA PRO 8 HA PRO 8 3.070 6.600 2.540
66 HB3 PRO 8 HB3 PRO 8 1.883 5.810 4.342
67 HG3 PRO 8 HG3 PRO 8 -0.401 5.404 4.190
68 HD3 PRO 8 HD3 PRO 8 -0.319 7.537 3.321
69 H CYS 9 H CYS 9 0.570 4.691 0.849
70 HA CYS 9 HA CYS 9 2.211 2.700 -0.163
71 HB3 CYS 9 HB3 CYS 9 0.053 3.611 -1.963
72 H GLU 10 H GLU 10 1.045 5.548 -1.974
73 HA GLU 10 HA GLU 10 2.671 5.208 -4.206
74 HB3 GLU 10 HB3 GLU 10 2.061 7.981 -3.307
75 HG3 GLU 10 HG3 GLU 10 0.893 7.302 -5.793
76 H ASP 11 H ASP 11 3.314 6.824 -1.147
77 HA ASP 11 HA ASP 11 5.653 8.175 -1.774
78 HB3 ASP 11 HB3 ASP 11 6.150 7.350 0.779
79 H VAL 12 H VAL 12 5.382 4.898 -0.386
80 HA VAL 12 HA VAL 12 8.171 4.379 -1.055
81 HB VAL 12 HB VAL 12 7.925 2.307 0.181
82 HG11 VAL 12 HG11 VAL 12 7.823 3.222 2.297
83 HG12 VAL 12 HG12 VAL 12 8.129 4.648 1.304
84 HG13 VAL 12 HG13 VAL 12 6.496 4.306 1.881
85 HG21 VAL 12 HG21 VAL 12 5.318 2.611 1.297
86 HG22 VAL 12 HG22 VAL 12 5.188 2.609 -0.462
87 HG23 VAL 12 HG23 VAL 12 5.972 1.263 0.365
88 H ASN 13 H ASN 13 5.675 4.497 -2.934
89 HA ASN 13 HA ASN 13 4.793 3.306 -4.693
90 HB3 ASN 13 HB3 ASN 13 6.770 4.133 -5.735
91 HD21 ASN 13 HD22 ASN 13 8.376 4.733 -4.269
92 HD22 ASN 13 HD21 ASN 13 9.737 3.719 -3.945
93 H GLY 14 H GLY 14 3.692 1.731 -3.365
94 HA2 GLY 14 HA2 GLY 14 5.007 -0.912 -3.345
95 HA3 GLY 14 HA3 GLY 14 3.742 -0.422 -2.229
96 H GLN 15 H GLN 15 2.910 -2.571 -3.030
97 HA GLN 15 HA GLN 15 1.329 -2.166 -5.483
98 HB3 GLN 15 HB3 GLN 15 1.310 -4.857 -5.197
99 HG3 GLN 15 HG3 GLN 15 3.417 -4.826 -6.711
100 HE21 GLN 15 HE22 GLN 15 2.548 -2.756 -8.740
101 HE22 GLN 15 HE21 GLN 15 1.113 -3.423 -9.432
102 H CYS 16 H CYS 16 -0.653 -3.704 -5.478
103 HA CYS 16 HA CYS 16 -1.938 -3.502 -2.832
104 HB3 CYS 16 HB3 CYS 16 -4.091 -3.340 -4.126
105 H GLN 17 H GLN 17 -1.313 -5.598 -2.211
106 HA GLN 17 HA GLN 17 -2.609 -7.771 -3.724
107 HB3 GLN 17 HB3 GLN 17 -0.827 -9.125 -3.366
108 HG3 GLN 17 HG3 GLN 17 0.775 -6.752 -2.529
109 HE21 GLN 17 HE22 GLN 17 2.429 -6.754 -4.684
110 HE22 GLN 17 HE21 GLN 17 3.293 -8.247 -4.767
111 HA PRO 18 HA PRO 18 -5.157 -8.773 -0.298
112 HB3 PRO 18 HB3 PRO 18 -6.006 -10.497 -1.557
113 HG3 PRO 18 HG3 PRO 18 -4.634 -11.755 -2.951
114 HD3 PRO 18 HD3 PRO 18 -4.030 -9.630 -3.611
115 H ARG 19 H ARG 19 -5.224 -10.569 1.584
116 HA ARG 19 HA ARG 19 -2.732 -10.166 3.053
117 HB3 ARG 19 HB3 ARG 19 -4.728 -9.478 4.212
118 HG3 ARG 19 HG3 ARG 19 -5.978 -11.978 4.777
119 HD3 ARG 19 HD3 ARG 19 -6.796 -9.368 3.544
120 HE ARG 19 HE ARG 19 -8.628 -10.453 2.733
121 HH11 ARG 19 HH11 ARG 19 -7.693 -11.950 5.734
122 HH12 ARG 19 HH12 ARG 19 -9.059 -13.016 5.778
123 HH21 ARG 19 HH22 ARG 19 -10.429 -11.852 2.779
124 HH22 ARG 19 HH21 ARG 19 -10.614 -12.960 4.096
125 H GLY 20 H GLY 20 -2.272 -11.976 1.144
126 HA2 GLY 20 HA2 GLY 20 -1.783 -14.384 2.690
127 HA3 GLY 20 HA3 GLY 20 -2.824 -14.595 1.290
128 H ASN 21 H ASN 21 -0.069 -12.404 1.531
129 HA ASN 21 HA ASN 21 1.348 -14.081 -0.435
130 HB3 ASN 21 HB3 ASN 21 1.012 -12.383 -1.880
131 HD21 ASN 21 HD22 ASN 21 -0.941 -11.510 -1.999
132 HD22 ASN 21 HD21 ASN 21 -1.504 -10.184 -1.046
133 HA PRO 22 HA PRO 22 4.801 -13.952 2.281
134 HB3 PRO 22 HB3 PRO 22 5.734 -15.574 0.948
135 HG3 PRO 22 HG3 PRO 22 5.419 -15.561 -1.356
136 HD3 PRO 22 HD3 PRO 22 3.236 -15.330 -0.656
137 H CYS 23 H CYS 23 4.241 -11.574 -0.081
138 HA CYS 23 HA CYS 23 6.564 -10.015 0.075
139 HB3 CYS 23 HB3 CYS 23 4.599 -9.773 -1.540
140 H LEU 24 H LEU 24 5.886 -7.503 0.885
141 HA LEU 24 HA LEU 24 5.745 -7.847 3.793
142 HB3 LEU 24 HB3 LEU 24 6.379 -5.178 3.107
143 HG LEU 24 HG LEU 24 8.348 -7.308 3.931
144 HD11 LEU 24 HD11 LEU 24 8.501 -4.435 3.476
145 HD12 LEU 24 HD12 LEU 24 9.788 -5.630 3.632
146 HD13 LEU 24 HD13 LEU 24 9.065 -4.919 5.076
147 HD21 LEU 24 HD21 LEU 24 7.906 -6.415 6.233
148 HD22 LEU 24 HD22 LEU 24 6.586 -7.349 5.529
149 HD23 LEU 24 HD23 LEU 24 6.496 -5.588 5.570
150 H ARG 25 H ARG 25 4.686 -6.033 5.015
151 HA ARG 25 HA ARG 25 2.214 -5.211 3.638
152 HB3 ARG 25 HB3 ARG 25 1.734 -5.100 6.389
153 HG3 ARG 25 HG3 ARG 25 0.360 -6.035 4.342
154 HD3 ARG 25 HD3 ARG 25 2.107 -8.168 4.845
155 HE ARG 25 HE ARG 25 -0.287 -8.598 6.324
156 HH11 ARG 25 HH11 ARG 25 2.018 -10.162 4.235
157 HH12 ARG 25 HH12 ARG 25 1.723 -11.744 4.875
158 HH21 ARG 25 HH22 ARG 25 -0.684 -10.677 7.177
159 HH22 ARG 25 HH21 ARG 25 0.185 -12.036 6.548
160 H LEU 26 H LEU 26 1.439 -3.135 3.956
161 HA LEU 26 HA LEU 26 3.233 -1.295 5.396
162 HB3 LEU 26 HB3 LEU 26 2.273 0.362 3.581
163 HG LEU 26 HG LEU 26 4.677 -1.283 3.550
164 HD11 LEU 26 HD11 LEU 26 3.417 -1.597 1.242
165 HD12 LEU 26 HD12 LEU 26 5.165 -1.386 1.331
166 HD13 LEU 26 HD13 LEU 26 4.131 -0.017 0.924
167 HD21 LEU 26 HD21 LEU 26 4.753 0.971 4.322
168 HD22 LEU 26 HD22 LEU 26 3.997 1.564 2.842
169 HD23 LEU 26 HD23 LEU 26 5.632 0.906 2.794
170 H ARG 27 H ARG 27 0.122 -0.872 3.729
171 HA ARG 27 HA ARG 27 -1.320 -0.570 6.201
172 HB3 ARG 27 HB3 ARG 27 -2.061 1.816 5.357
173 HG3 ARG 27 HG3 ARG 27 -0.416 0.991 7.383
174 HD3 ARG 27 HD3 ARG 27 0.997 3.318 6.148
175 HE ARG 27 HE ARG 27 2.428 1.453 7.791
176 HH11 ARG 27 HH11 ARG 27 0.329 4.230 7.795
177 HH12 ARG 27 HH12 ARG 27 0.844 4.779 9.356
178 HH21 ARG 27 HH22 ARG 27 3.115 2.165 9.846
179 HH22 ARG 27 HH21 ARG 27 2.430 3.604 10.521
180 H GLY 28 H GLY 28 -3.573 0.646 5.458
181 HA2 GLY 28 HA2 GLY 28 -4.636 -1.191 3.462
182 HA3 GLY 28 HA3 GLY 28 -5.572 -0.165 4.538
183 H ALA 29 H ALA 29 -2.935 1.137 2.680
184 HA ALA 29 HA ALA 29 -4.690 3.015 1.404
185 HB1 ALA 29 HB1 ALA 29 -1.749 2.584 1.513
186 HB2 ALA 29 HB2 ALA 29 -2.410 3.564 0.203
187 HB3 ALA 29 HB3 ALA 29 -2.696 4.026 1.881
188 H CYS 30 H CYS 30 -5.775 0.870 0.494
189 HA CYS 30 HA CYS 30 -5.149 0.861 -2.325
190 HB3 CYS 30 HB3 CYS 30 -5.298 -1.806 -2.117
191 HA PRO 31 HA PRO 31 -9.461 0.207 -2.789
192 HB3 PRO 31 HB3 PRO 31 -9.146 0.280 -5.064
193 HG3 PRO 31 HG3 PRO 31 -7.286 -0.707 -6.050
194 HD3 PRO 31 HD3 PRO 31 -6.253 0.523 -4.395
195 H ARG 32 H ARG 32 -11.203 -1.298 -2.590
196 HA ARG 32 HA ARG 32 -10.896 -3.277 -0.705
197 HB3 ARG 32 HB3 ARG 32 -13.127 -3.984 -1.223
198 HG3 ARG 32 HG3 ARG 32 -12.573 -1.361 -0.725
199 HD3 ARG 32 HD3 ARG 32 -13.960 -1.589 -3.335
200 HE ARG 32 HE ARG 32 -14.690 0.795 -1.902
201 HH11 ARG 32 HH11 ARG 32 -15.634 -2.447 -2.748
202 HH12 ARG 32 HH12 ARG 32 -17.327 -2.152 -2.526
203 HH21 ARG 32 HH22 ARG 32 -16.916 1.198 -1.608
204 HH22 ARG 32 HH21 ARG 32 -18.055 -0.078 -1.879
205 H GLY 33 H GLY 33 -10.651 -5.495 -0.721
206 HA2 GLY 33 HA2 GLY 33 -10.343 -7.618 -1.657
207 HA3 GLY 33 HA3 GLY 33 -10.372 -6.893 -3.257
208 H SER 34 H SER 34 -8.340 -4.961 -1.672
209 HA SER 34 HA SER 34 -5.984 -6.648 -1.698
210 HB3 SER 34 HB3 SER 34 -4.924 -5.802 -3.547
211 HG SER 34 HG SER 34 -6.713 -6.662 -4.503
212 H ARG 35 H ARG 35 -4.146 -5.652 -0.754
213 HA ARG 35 HA ARG 35 -4.668 -3.080 0.575
214 HB3 ARG 35 HB3 ARG 35 -5.017 -4.938 2.166
215 HG3 ARG 35 HG3 ARG 35 -2.205 -5.639 1.414
216 HD3 ARG 35 HD3 ARG 35 -2.517 -5.268 3.932
217 HE ARG 35 HE ARG 35 -4.545 -7.248 3.553
218 HH11 ARG 35 HH11 ARG 35 -2.130 -6.063 5.763
219 HH12 ARG 35 HH12 ARG 35 -2.935 -6.671 7.172
220 HH21 ARG 35 HH22 ARG 35 -5.615 -8.053 5.400
221 HH22 ARG 35 HH21 ARG 35 -4.916 -7.804 6.964
222 H CYS 36 H CYS 36 -2.740 -1.923 1.241
223 HA CYS 36 HA CYS 36 -0.757 -1.890 -0.773
224 HB3 CYS 36 HB3 CYS 36 -0.514 -0.613 1.951
225 H CYS 37 H CYS 37 0.888 -3.237 -1.016
226 HA CYS 37 HA CYS 37 2.195 -4.323 1.387
227 HB3 CYS 37 HB3 CYS 37 0.886 -5.763 -0.769
228 H MET 38 H MET 38 4.410 -4.479 1.330
229 HA MET 38 HA MET 38 5.747 -2.822 -0.594
230 HB3 MET 38 HB3 MET 38 7.442 -4.461 1.149
231 HG3 MET 38 HG3 MET 38 7.818 -1.939 1.973
232 HE1 MET 38 HE1 MET 38 9.203 -0.458 -0.449
233 HE2 MET 38 HE2 MET 38 10.182 -0.633 1.008
234 HE3 MET 38 HE3 MET 38 10.838 -1.112 -0.558
235 HA PRO 39 HA PRO 39 6.709 -6.021 -3.493
236 HB3 PRO 39 HB3 PRO 39 6.852 -4.341 -5.053
237 HG3 PRO 39 HG3 PRO 39 7.609 -2.220 -4.466
238 HD3 PRO 39 HD3 PRO 39 6.031 -2.549 -2.818
239 H THR 40 H THR 40 8.786 -7.005 -4.447
240 HA THR 40 HA THR 40 10.628 -7.495 -2.220
241 HB THR 40 HB THR 40 10.545 -9.121 -4.748
242 HG1 THR 40 HG1 THR 40 8.714 -10.004 -4.152
243 HG21 THR 40 HG21 THR 40 12.154 -10.211 -3.652
244 HG22 THR 40 HG22 THR 40 10.934 -10.714 -2.483
245 HG23 THR 40 HG23 THR 40 11.886 -9.258 -2.194
246 H VAL 41 H VAL 41 11.056 -5.093 -3.478
247 HA VAL 41 HA VAL 41 13.335 -5.559 -5.272
248 HB VAL 41 HB VAL 41 13.164 -3.232 -5.917
249 HG11 VAL 41 HG11 VAL 41 10.315 -3.835 -6.100
250 HG12 VAL 41 HG12 VAL 41 11.521 -3.647 -7.376
251 HG13 VAL 41 HG13 VAL 41 11.350 -5.191 -6.542
252 HG21 VAL 41 HG21 VAL 41 12.464 -1.844 -4.294
253 HG22 VAL 41 HG22 VAL 41 10.853 -2.202 -4.916
254 HG23 VAL 41 HG23 VAL 41 11.478 -3.085 -3.523
255 H ALA 42 H ALA 42 15.345 -4.610 -4.876
256 HA ALA 42 HA ALA 42 15.767 -3.768 -2.083
257 HB1 ALA 42 HB1 ALA 42 17.754 -4.897 -2.018
258 HB2 ALA 42 HB2 ALA 42 16.857 -5.921 -3.139
259 HB3 ALA 42 HB3 ALA 42 18.023 -4.750 -3.756
260 H ALA 43 H ALA 43 15.499 -1.565 -2.344
261 HA ALA 43 HA ALA 43 17.478 -0.235 -4.079
262 HB1 ALA 43 HB1 ALA 43 15.679 1.708 -3.777
263 HB2 ALA 43 HB2 ALA 43 15.582 0.514 -5.072
264 HB3 ALA 43 HB3 ALA 43 14.608 0.316 -3.615
265 H HIS 44 H HIS 44 17.765 2.157 -3.276
266 HA HIS 44 HA HIS 44 17.995 2.169 -0.343
267 HB3 HIS 44 HB3 HIS 44 20.165 3.652 -1.170
268 HD1 HIS 44 HD1 HIS 44 20.920 0.072 -1.574
269 HD2 HIS 44 HD2 HIS 44 20.511 2.783 1.548
270 HE1 HIS 44 HE1 HIS 44 21.945 -1.050 0.430