Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504897 | 2ene RC | 10173 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 13.189 -8.630 6.889
2 HA2 GLY 1 1HA GLY 1 13.093 -5.867 7.037
3 HA3 GLY 1 2HA GLY 1 14.586 -6.251 6.195
4 H SER 2 H SER 2 14.299 -5.913 4.097
5 HA SER 2 HA SER 2 11.703 -6.338 2.872
6 HB2 SER 2 1HB SER 2 14.287 -5.100 1.984
7 HB3 SER 2 2HB SER 2 13.082 -5.565 0.783
8 HG SER 2 HG SER 2 11.612 -4.190 1.769
9 H SER 3 H SER 3 11.625 -8.642 3.139
10 HA SER 3 HA SER 3 13.414 -10.125 1.333
11 HB2 SER 3 1HB SER 3 13.336 -10.757 3.798
12 HB3 SER 3 2HB SER 3 11.692 -11.324 3.505
13 HG SER 3 HG SER 3 14.053 -12.242 2.222
14 H GLY 4 H GLY 4 12.235 -9.683 -0.559
15 HA2 GLY 4 1HA GLY 4 10.628 -11.418 -1.691
16 HA3 GLY 4 2HA GLY 4 9.458 -10.612 -0.656
17 H SER 5 H SER 5 11.057 -10.563 -3.636
18 HA SER 5 HA SER 5 11.122 -7.874 -4.316
19 HB2 SER 5 1HB SER 5 11.086 -8.590 -6.628
20 HB3 SER 5 2HB SER 5 12.037 -9.747 -5.697
21 HG SER 5 HG SER 5 10.407 -10.610 -7.222
22 H SER 6 H SER 6 8.443 -10.181 -4.556
23 HA SER 6 HA SER 6 6.596 -7.905 -4.715
24 HB2 SER 6 1HB SER 6 7.082 -9.157 -6.971
25 HB3 SER 6 2HB SER 6 6.009 -10.383 -6.298
26 HG SER 6 HG SER 6 5.438 -7.678 -6.891
27 H GLY 7 H GLY 7 5.092 -8.008 -3.187
28 HA2 GLY 7 1HA GLY 7 4.559 -10.633 -1.946
29 HA3 GLY 7 2HA GLY 7 4.448 -9.094 -1.105
30 H THR 8 H THR 8 2.509 -11.366 -1.682
31 HA THR 8 HA THR 8 0.344 -9.677 -2.756
32 HB THR 8 HB THR 8 0.928 -11.536 -4.298
33 HG1 THR 8 HG1 THR 8 -1.133 -11.250 -4.686
34 HG21 THR 8 3HG2 THR 8 -0.300 -13.539 -2.502
35 HG22 THR 8 1HG2 THR 8 1.346 -13.043 -2.110
36 HG23 THR 8 2HG2 THR 8 0.984 -13.723 -3.696
37 H GLY 9 H GLY 9 -1.217 -9.254 -1.343
38 HA2 GLY 9 1HA GLY 9 -1.569 -11.110 0.931
39 HA3 GLY 9 2HA GLY 9 -1.764 -9.368 1.061
40 H GLU 10 H GLU 10 -3.837 -10.384 2.033
41 HA GLU 10 HA GLU 10 -5.810 -11.086 0.012
42 HB2 GLU 10 1HB GLU 10 -5.888 -10.988 3.025
43 HB3 GLU 10 2HB GLU 10 -7.322 -11.285 2.053
44 HG2 GLU 10 1HG GLU 10 -6.576 -13.348 1.335
45 HG3 GLU 10 2HG GLU 10 -4.887 -12.968 1.672
46 H LYS 11 H LYS 11 -4.576 -8.292 1.260
47 HA LYS 11 HA LYS 11 -7.101 -6.836 0.818
48 HB2 LYS 11 1HB LYS 11 -4.812 -5.788 2.469
49 HB3 LYS 11 2HB LYS 11 -6.478 -5.224 2.430
50 HG2 LYS 11 1HG LYS 11 -5.672 -7.936 3.450
51 HG3 LYS 11 2HG LYS 11 -5.822 -6.508 4.477
52 HD2 LYS 11 1HD LYS 11 -8.060 -7.484 2.717
53 HD3 LYS 11 2HD LYS 11 -7.837 -8.051 4.373
54 HE2 LYS 11 1HE LYS 11 -9.260 -6.315 4.766
55 HE3 LYS 11 2HE LYS 11 -7.728 -5.449 4.856
56 HZ1 LYS 11 3HZ LYS 11 -9.726 -4.637 3.348
57 HZ2 LYS 11 1HZ LYS 11 -8.976 -5.662 2.229
58 HZ3 LYS 11 2HZ LYS 11 -8.111 -4.381 2.915
59 HA PRO 12 HA PRO 12 -5.132 -4.822 -2.564
60 HB2 PRO 12 1HB PRO 12 -6.652 -2.575 -2.675
61 HB3 PRO 12 2HB PRO 12 -7.237 -4.158 -3.201
62 HG2 PRO 12 1HG PRO 12 -7.711 -2.726 -0.615
63 HG3 PRO 12 2HG PRO 12 -8.858 -3.631 -1.619
64 HD2 PRO 12 1HD PRO 12 -7.727 -4.681 0.605
65 HD3 PRO 12 2HD PRO 12 -8.158 -5.670 -0.805
66 H TYR 13 H TYR 13 -5.181 -3.554 0.607
67 HA TYR 13 HA TYR 13 -3.199 -1.504 -0.142
68 HB2 TYR 13 1HB TYR 13 -4.996 -1.498 2.291
69 HB3 TYR 13 2HB TYR 13 -3.883 -0.223 1.805
70 HD1 TYR 13 HD1 TYR 13 -4.405 1.227 -0.096
71 HD2 TYR 13 HD2 TYR 13 -7.133 -1.769 1.203
72 HE1 TYR 13 HE1 TYR 13 -6.193 2.297 -1.403
73 HE2 TYR 13 HE2 TYR 13 -8.928 -0.708 -0.101
74 HH TYR 13 HH TYR 13 -8.906 0.892 -2.302
75 H LYS 14 H LYS 14 -1.242 -2.312 0.249
76 HA LYS 14 HA LYS 14 -0.690 -3.368 2.922
77 HB2 LYS 14 1HB LYS 14 -0.968 -5.370 1.636
78 HB3 LYS 14 2HB LYS 14 0.015 -4.733 0.324
79 HG2 LYS 14 1HG LYS 14 1.838 -4.619 2.242
80 HG3 LYS 14 2HG LYS 14 0.837 -5.905 2.918
81 HD2 LYS 14 1HD LYS 14 0.998 -7.037 0.659
82 HD3 LYS 14 2HD LYS 14 2.242 -5.851 0.255
83 HE2 LYS 14 1HE LYS 14 3.606 -6.605 2.106
84 HE3 LYS 14 2HE LYS 14 2.341 -7.718 2.623
85 HZ1 LYS 14 3HZ LYS 14 4.201 -7.931 0.377
86 HZ2 LYS 14 1HZ LYS 14 2.652 -8.580 0.172
87 HZ3 LYS 14 2HZ LYS 14 3.639 -9.129 1.432
88 H CYS 15 H CYS 15 1.162 -2.624 3.775
89 HA CYS 15 HA CYS 15 2.615 -0.591 2.412
90 HB2 CYS 15 1HB CYS 15 2.222 -0.682 4.893
91 HB3 CYS 15 2HB CYS 15 3.390 -1.998 4.972
92 H ASN 16 H ASN 16 4.767 -0.580 1.726
93 HA ASN 16 HA ASN 16 5.810 -3.236 1.031
94 HB2 ASN 16 1HB ASN 16 5.930 -0.555 -0.255
95 HB3 ASN 16 2HB ASN 16 7.320 -1.615 -0.470
96 HD21 ASN 16 1HD2 ASN 16 6.882 -3.781 -1.305
97 HD22 ASN 16 2HD2 ASN 16 5.595 -3.986 -2.440
98 H GLU 17 H GLU 17 6.569 -0.274 2.710
99 HA GLU 17 HA GLU 17 9.337 -0.610 3.009
100 HB2 GLU 17 1HB GLU 17 7.381 0.713 4.897
101 HB3 GLU 17 2HB GLU 17 9.127 0.913 4.933
102 HG2 GLU 17 1HG GLU 17 7.261 1.765 2.733
103 HG3 GLU 17 2HG GLU 17 8.113 2.812 3.867
104 H CYS 18 H CYS 18 6.699 -1.478 5.244
105 HA CYS 18 HA CYS 18 8.568 -3.190 6.716
106 HB2 CYS 18 1HB CYS 18 6.840 -3.248 8.466
107 HB3 CYS 18 2HB CYS 18 7.288 -1.595 8.058
108 H GLY 19 H GLY 19 5.451 -3.265 5.041
109 HA2 GLY 19 1HA GLY 19 5.056 -5.253 3.638
110 HA3 GLY 19 2HA GLY 19 5.679 -6.211 4.974
111 H LYS 20 H LYS 20 4.197 -4.385 6.875
112 HA LYS 20 HA LYS 20 2.036 -5.933 7.473
113 HB2 LYS 20 1HB LYS 20 2.613 -3.031 7.931
114 HB3 LYS 20 2HB LYS 20 1.048 -3.683 8.398
115 HG2 LYS 20 1HG LYS 20 1.955 -5.049 10.028
116 HG3 LYS 20 2HG LYS 20 3.561 -5.027 9.296
117 HD2 LYS 20 1HD LYS 20 3.362 -2.438 9.832
118 HD3 LYS 20 2HD LYS 20 2.241 -3.030 11.061
119 HE2 LYS 20 1HE LYS 20 4.158 -4.703 11.611
120 HE3 LYS 20 2HE LYS 20 5.173 -3.540 10.760
121 HZ1 LYS 20 3HZ LYS 20 3.902 -1.893 12.365
122 HZ2 LYS 20 1HZ LYS 20 5.313 -2.697 12.842
123 HZ3 LYS 20 2HZ LYS 20 3.801 -3.283 13.323
124 H VAL 21 H VAL 21 -0.273 -5.617 7.222
125 HA VAL 21 HA VAL 21 -0.976 -4.353 4.652
126 HB VAL 21 HB VAL 21 -2.333 -6.787 5.807
127 HG11 VAL 21 1HG1 VAL 21 -3.624 -6.834 3.931
128 HG12 VAL 21 2HG1 VAL 21 -3.357 -5.093 4.041
129 HG13 VAL 21 3HG1 VAL 21 -2.393 -6.065 2.929
130 HG21 VAL 21 3HG2 VAL 21 -0.733 -8.105 5.004
131 HG22 VAL 21 1HG2 VAL 21 -0.832 -7.327 3.424
132 HG23 VAL 21 2HG2 VAL 21 0.231 -6.668 4.666
133 H PHE 22 H PHE 22 -2.940 -3.278 4.514
134 HA PHE 22 HA PHE 22 -4.414 -2.935 7.039
135 HB2 PHE 22 1HB PHE 22 -3.783 -0.735 5.061
136 HB3 PHE 22 2HB PHE 22 -4.665 -0.559 6.575
137 HD1 PHE 22 HD1 PHE 22 -1.360 -1.606 5.230
138 HD2 PHE 22 HD2 PHE 22 -3.534 0.024 8.506
139 HE1 PHE 22 HE1 PHE 22 0.755 -1.149 6.401
140 HE2 PHE 22 HE2 PHE 22 -1.423 0.485 9.682
141 HZ PHE 22 HZ PHE 22 0.725 -0.101 8.630
142 H ARG 23 H ARG 23 -6.586 -1.808 6.604
143 HA ARG 23 HA ARG 23 -7.893 -3.289 4.461
144 HB2 ARG 23 1HB ARG 23 -8.793 -1.955 6.973
145 HB3 ARG 23 2HB ARG 23 -9.958 -2.150 5.670
146 HG2 ARG 23 1HG ARG 23 -9.770 -4.508 5.730
147 HG3 ARG 23 2HG ARG 23 -8.352 -4.434 6.778
148 HD2 ARG 23 1HD ARG 23 -10.175 -5.029 8.164
149 HD3 ARG 23 2HD ARG 23 -9.830 -3.332 8.499
150 HE ARG 23 HE ARG 23 -11.740 -3.150 6.630
151 HH11 ARG 23 1HH1 ARG 23 -11.519 -5.045 9.542
152 HH12 ARG 23 2HH1 ARG 23 -13.229 -5.057 9.820
153 HH21 ARG 23 1HH2 ARG 23 -13.993 -3.158 6.985
154 HH22 ARG 23 2HH2 ARG 23 -14.635 -3.984 8.365
155 H HIS 24 H HIS 24 -7.832 0.054 5.696
156 HA HIS 24 HA HIS 24 -8.747 0.969 3.055
157 HB2 HIS 24 1HB HIS 24 -9.988 1.554 5.269
158 HB3 HIS 24 2HB HIS 24 -8.681 2.711 5.499
159 HD1 HIS 24 HD1 HIS 24 -9.266 4.959 4.684
160 HD2 HIS 24 HD2 HIS 24 -11.162 1.990 2.481
161 HE1 HIS 24 HE1 HIS 24 -10.669 6.173 2.987
162 H ASN 25 H ASN 25 -7.737 2.792 2.082
163 HA ASN 25 HA ASN 25 -4.934 2.750 2.160
164 HB2 ASN 25 1HB ASN 25 -5.693 3.528 0.134
165 HB3 ASN 25 2HB ASN 25 -6.992 4.470 0.861
166 HD21 ASN 25 1HD2 ASN 25 -3.611 4.390 0.051
167 HD22 ASN 25 2HD2 ASN 25 -3.321 6.083 0.237
168 H SER 26 H SER 26 -7.237 5.145 3.429
169 HA SER 26 HA SER 26 -5.660 7.107 4.376
170 HB2 SER 26 1HB SER 26 -7.931 5.779 5.872
171 HB3 SER 26 2HB SER 26 -7.235 7.342 6.300
172 HG SER 26 HG SER 26 -7.971 8.185 4.390
173 H TYR 27 H TYR 27 -6.229 4.034 6.076
174 HA TYR 27 HA TYR 27 -4.517 4.590 8.250
175 HB2 TYR 27 1HB TYR 27 -5.245 1.864 7.168
176 HB3 TYR 27 2HB TYR 27 -4.722 2.250 8.803
177 HD1 TYR 27 HD2 TYR 27 -6.316 4.481 9.613
178 HD2 TYR 27 HD1 TYR 27 -7.442 1.160 7.204
179 HE1 TYR 27 HE2 TYR 27 -8.659 4.789 10.293
180 HE2 TYR 27 HE1 TYR 27 -9.788 1.459 7.877
181 HH TYR 27 HH TYR 27 -10.715 3.875 10.282
182 H LEU 28 H LEU 28 -3.973 3.229 5.073
183 HA LEU 28 HA LEU 28 -1.364 2.220 5.590
184 HB2 LEU 28 1HB LEU 28 -2.517 1.307 3.749
185 HB3 LEU 28 2HB LEU 28 -2.866 2.900 3.079
186 HG LEU 28 HG LEU 28 -0.523 3.172 2.469
187 HD11 LEU 28 1HD1 LEU 28 0.352 1.773 4.360
188 HD12 LEU 28 2HD1 LEU 28 1.113 1.483 2.796
189 HD13 LEU 28 3HD1 LEU 28 -0.087 0.349 3.416
190 HD21 LEU 28 3HD2 LEU 28 -1.492 2.303 0.625
191 HD22 LEU 28 1HD2 LEU 28 -2.168 0.926 1.495
192 HD23 LEU 28 2HD2 LEU 28 -0.473 0.916 1.009
193 H SER 29 H SER 29 -2.476 5.112 3.821
194 HA SER 29 HA SER 29 0.011 6.236 3.326
195 HB2 SER 29 1HB SER 29 -2.287 6.981 2.467
196 HB3 SER 29 2HB SER 29 -2.430 7.888 3.972
197 HG SER 29 HG SER 29 -0.387 8.886 3.365
198 H ARG 30 H ARG 30 -2.166 6.841 6.078
199 HA ARG 30 HA ARG 30 -0.508 8.651 7.428
200 HB2 ARG 30 1HB ARG 30 -1.928 8.361 9.299
201 HB3 ARG 30 2HB ARG 30 -2.952 8.145 7.885
202 HG2 ARG 30 1HG ARG 30 -2.818 5.724 8.148
203 HG3 ARG 30 2HG ARG 30 -1.779 5.934 9.560
204 HD2 ARG 30 1HD ARG 30 -4.640 6.840 9.266
205 HD3 ARG 30 2HD ARG 30 -4.050 5.519 10.273
206 HE ARG 30 HE ARG 30 -2.708 7.808 11.077
207 HH11 ARG 30 1HH1 ARG 30 -5.985 6.638 10.969
208 HH12 ARG 30 2HH1 ARG 30 -6.496 7.553 12.348
209 HH21 ARG 30 1HH2 ARG 30 -3.369 9.018 12.895
210 HH22 ARG 30 2HH2 ARG 30 -5.007 8.907 13.442
211 H HIS 31 H HIS 31 -0.663 5.131 7.501
212 HA HIS 31 HA HIS 31 1.098 4.761 9.683
213 HB2 HIS 31 1HB HIS 31 -0.126 2.854 9.229
214 HB3 HIS 31 2HB HIS 31 0.049 3.029 7.485
215 HD1 HIS 31 HD1 HIS 31 2.071 1.981 10.512
216 HD2 HIS 31 HD2 HIS 31 2.047 1.531 6.382
217 HE1 HIS 31 HE1 HIS 31 3.871 0.298 10.009
218 H GLN 32 H GLN 32 1.683 4.320 6.189
219 HA GLN 32 HA GLN 32 4.316 3.784 6.105
220 HB2 GLN 32 1HB GLN 32 2.756 5.686 4.362
221 HB3 GLN 32 2HB GLN 32 4.417 5.227 4.011
222 HG2 GLN 32 1HG GLN 32 3.644 2.836 4.024
223 HG3 GLN 32 2HG GLN 32 1.994 3.454 4.091
224 HE21 GLN 32 1HE2 GLN 32 4.630 2.691 2.113
225 HE22 GLN 32 2HE2 GLN 32 3.997 3.288 0.621
226 H ARG 33 H ARG 33 2.901 6.763 7.164
227 HA ARG 33 HA ARG 33 4.915 8.599 6.877
228 HB2 ARG 33 1HB ARG 33 3.204 8.246 9.345
229 HB3 ARG 33 2HB ARG 33 4.035 9.717 8.859
230 HG2 ARG 33 1HG ARG 33 1.947 8.408 7.145
231 HG3 ARG 33 2HG ARG 33 1.554 9.599 8.388
232 HD2 ARG 33 1HD ARG 33 3.583 10.146 6.242
233 HD3 ARG 33 2HD ARG 33 1.862 10.440 5.993
234 HE ARG 33 HE ARG 33 2.688 11.679 8.380
235 HH11 ARG 33 1HH1 ARG 33 3.031 11.974 4.928
236 HH12 ARG 33 2HH1 ARG 33 3.270 13.689 4.967
237 HH21 ARG 33 1HH2 ARG 33 3.002 13.938 8.445
238 HH22 ARG 33 2HH2 ARG 33 3.254 14.805 6.968
239 H ILE 34 H ILE 34 4.551 6.249 9.522
240 HA ILE 34 HA ILE 34 6.681 6.919 11.107
241 HB ILE 34 HB ILE 34 6.764 4.637 11.874
242 HG12 ILE 34 1HG1 ILE 34 4.910 3.769 9.678
243 HG13 ILE 34 2HG1 ILE 34 6.652 3.767 9.419
244 HG21 ILE 34 1HG2 ILE 34 4.217 6.003 11.409
245 HG22 ILE 34 2HG2 ILE 34 4.065 4.284 11.767
246 HG23 ILE 34 3HG2 ILE 34 4.901 5.349 12.897
247 HD11 ILE 34 3HD1 ILE 34 6.509 1.674 10.193
248 HD12 ILE 34 1HD1 ILE 34 6.490 2.455 11.774
249 HD13 ILE 34 2HD1 ILE 34 4.975 1.969 11.011
250 H HIS 35 H HIS 35 6.752 5.549 7.935
251 HA HIS 35 HA HIS 35 9.534 4.740 8.131
252 HB2 HIS 35 1HB HIS 35 7.640 4.755 5.771
253 HB3 HIS 35 2HB HIS 35 9.264 4.074 5.764
254 HD1 HIS 35 HD1 HIS 35 9.310 2.426 8.276
255 HD2 HIS 35 HD2 HIS 35 6.000 2.608 5.772
256 HE1 HIS 35 HE1 HIS 35 8.002 0.330 8.739
257 H THR 36 H THR 36 7.778 6.829 5.831
258 HA THR 36 HA THR 36 9.888 8.130 4.695
259 HB THR 36 HB THR 36 8.388 10.058 4.300
260 HG1 THR 36 HG1 THR 36 6.324 10.041 5.226
261 HG21 THR 36 3HG2 THR 36 6.900 8.930 2.886
262 HG22 THR 36 1HG2 THR 36 6.777 7.544 3.969
263 HG23 THR 36 2HG2 THR 36 8.256 7.815 3.047
264 H GLY 37 H GLY 37 10.468 10.516 5.000
265 HA2 GLY 37 1HA GLY 37 10.752 12.338 6.576
266 HA3 GLY 37 2HA GLY 37 10.723 11.149 7.870
267 H GLU 38 H GLU 38 12.653 12.788 5.535
268 HA GLU 38 HA GLU 38 15.059 12.146 6.904
269 HB2 GLU 38 1HB GLU 38 16.200 10.943 5.093
270 HB3 GLU 38 2HB GLU 38 14.825 10.035 5.704
271 HG2 GLU 38 1HG GLU 38 13.566 10.402 3.795
272 HG3 GLU 38 2HG GLU 38 14.532 11.794 3.307
273 H LYS 39 H LYS 39 16.972 13.136 5.849
274 HA LYS 39 HA LYS 39 16.581 15.771 5.182
275 HB2 LYS 39 1HB LYS 39 18.880 15.835 4.479
276 HB3 LYS 39 2HB LYS 39 18.751 14.739 5.848
277 HG2 LYS 39 1HG LYS 39 20.069 13.484 4.496
278 HG3 LYS 39 2HG LYS 39 18.489 12.944 3.924
279 HD2 LYS 39 1HD LYS 39 18.607 14.286 2.000
280 HD3 LYS 39 2HD LYS 39 19.925 15.260 2.657
281 HE2 LYS 39 1HE LYS 39 21.438 13.375 2.487
282 HE3 LYS 39 2HE LYS 39 20.125 12.338 1.932
283 HZ1 LYS 39 3HZ LYS 39 21.759 14.119 0.437
284 HZ2 LYS 39 1HZ LYS 39 20.123 14.492 0.226
285 HZ3 LYS 39 2HZ LYS 39 20.686 12.934 -0.114
286 HA PRO 40 HA PRO 40 15.102 15.836 1.037
287 HB2 PRO 40 1HB PRO 40 15.898 18.335 0.333
288 HB3 PRO 40 2HB PRO 40 14.545 18.031 1.429
289 HG2 PRO 40 1HG PRO 40 17.373 18.771 2.071
290 HG3 PRO 40 2HG PRO 40 15.868 19.381 2.783
291 HD2 PRO 40 1HD PRO 40 17.397 17.504 3.995
292 HD3 PRO 40 2HD PRO 40 15.630 17.549 4.161
293 H SER 41 H SER 41 15.965 14.827 -0.655
294 HA SER 41 HA SER 41 18.791 15.333 -1.312
295 HB2 SER 41 1HB SER 41 18.294 13.005 -0.647
296 HB3 SER 41 2HB SER 41 17.115 12.894 -1.954
297 HG SER 41 HG SER 41 19.551 12.235 -2.175
298 H GLY 42 H GLY 42 15.674 14.511 -2.839
299 HA2 GLY 42 1HA GLY 42 16.508 16.158 -5.146
300 HA3 GLY 42 2HA GLY 42 15.693 14.616 -5.358
301 HA PRO 43 HA PRO 43 12.739 18.355 -4.616
302 HB2 PRO 43 1HB PRO 43 12.434 19.315 -7.137
303 HB3 PRO 43 2HB PRO 43 13.641 19.944 -6.010
304 HG2 PRO 43 1HG PRO 43 13.979 17.981 -8.244
305 HG3 PRO 43 2HG PRO 43 15.019 19.341 -7.783
306 HD2 PRO 43 1HD PRO 43 15.585 16.780 -7.110
307 HD3 PRO 43 2HD PRO 43 16.024 18.158 -6.079
308 H SER 44 H SER 44 11.020 17.045 -4.265
309 HA SER 44 HA SER 44 9.889 15.599 -6.565
310 HB2 SER 44 1HB SER 44 8.739 14.185 -4.909
311 HB3 SER 44 2HB SER 44 10.485 14.168 -4.660
312 HG SER 44 HG SER 44 8.507 15.526 -3.164
313 H SER 45 H SER 45 8.886 17.416 -3.669
314 HA SER 45 HA SER 45 6.730 18.621 -5.232
315 HB2 SER 45 1HB SER 45 5.617 16.757 -4.180
316 HB3 SER 45 2HB SER 45 6.330 17.154 -2.616
317 HG SER 45 HG SER 45 4.277 18.457 -4.023
318 H GLY 46 H GLY 46 6.220 20.692 -4.638
319 HA2 GLY 46 1HA GLY 46 7.021 21.813 -2.122
320 HA3 GLY 46 2HA GLY 46 8.072 22.313 -3.438
Start of MODEL 2
1 H1 GLY 1 H GLY 1 7.114 -16.201 22.140
2 HA2 GLY 1 1HA GLY 1 9.666 -16.326 20.653
3 HA3 GLY 1 2HA GLY 1 8.870 -17.748 21.311
4 H SER 2 H SER 2 6.386 -17.730 20.559
5 HA SER 2 HA SER 2 6.450 -18.308 17.805
6 HB2 SER 2 1HB SER 2 4.867 -19.323 19.458
7 HB3 SER 2 2HB SER 2 3.993 -17.792 19.497
8 HG SER 2 HG SER 2 4.042 -18.211 17.032
9 H SER 3 H SER 3 5.986 -17.142 16.033
10 HA SER 3 HA SER 3 5.382 -14.299 16.422
11 HB2 SER 3 1HB SER 3 6.599 -15.826 14.117
12 HB3 SER 3 2HB SER 3 6.112 -14.136 13.989
13 HG SER 3 HG SER 3 8.390 -15.021 14.860
14 H GLY 4 H GLY 4 4.430 -17.051 14.374
15 HA2 GLY 4 1HA GLY 4 2.220 -17.601 13.785
16 HA3 GLY 4 2HA GLY 4 1.707 -16.003 14.307
17 H SER 5 H SER 5 0.478 -16.173 12.244
18 HA SER 5 HA SER 5 2.056 -14.964 10.097
19 HB2 SER 5 1HB SER 5 1.806 -17.439 9.659
20 HB3 SER 5 2HB SER 5 0.066 -17.174 9.551
21 HG SER 5 HG SER 5 0.465 -15.741 7.822
22 H SER 6 H SER 6 0.890 -13.591 8.728
23 HA SER 6 HA SER 6 -1.762 -12.837 9.762
24 HB2 SER 6 1HB SER 6 0.238 -11.137 8.251
25 HB3 SER 6 2HB SER 6 -1.312 -10.589 8.887
26 HG SER 6 HG SER 6 -0.343 -10.271 10.710
27 H GLY 7 H GLY 7 -3.190 -13.932 8.519
28 HA2 GLY 7 1HA GLY 7 -2.908 -13.653 5.590
29 HA3 GLY 7 2HA GLY 7 -3.659 -15.036 6.373
30 H THR 8 H THR 8 -5.803 -15.042 6.514
31 HA THR 8 HA THR 8 -7.971 -14.377 6.300
32 HB THR 8 HB THR 8 -7.160 -11.716 7.449
33 HG1 THR 8 HG1 THR 8 -6.343 -13.841 8.524
34 HG21 THR 8 3HG2 THR 8 -9.521 -13.227 8.388
35 HG22 THR 8 1HG2 THR 8 -9.592 -12.623 6.733
36 HG23 THR 8 2HG2 THR 8 -9.331 -11.502 8.070
37 H GLY 9 H GLY 9 -6.809 -14.200 3.928
38 HA2 GLY 9 1HA GLY 9 -7.475 -13.282 1.880
39 HA3 GLY 9 2HA GLY 9 -8.134 -11.898 2.740
40 H GLU 10 H GLU 10 -6.804 -11.330 0.514
41 HA GLU 10 HA GLU 10 -4.214 -10.310 1.479
42 HB2 GLU 10 1HB GLU 10 -3.845 -12.062 -0.178
43 HB3 GLU 10 2HB GLU 10 -4.911 -11.242 -1.311
44 HG2 GLU 10 1HG GLU 10 -2.627 -10.836 -1.921
45 HG3 GLU 10 2HG GLU 10 -3.357 -9.335 -1.354
46 H LYS 11 H LYS 11 -5.418 -8.419 2.143
47 HA LYS 11 HA LYS 11 -7.011 -6.810 0.582
48 HB2 LYS 11 1HB LYS 11 -5.163 -6.307 2.862
49 HB3 LYS 11 2HB LYS 11 -5.764 -4.910 1.978
50 HG2 LYS 11 1HG LYS 11 -7.058 -5.690 4.043
51 HG3 LYS 11 2HG LYS 11 -7.971 -5.320 2.578
52 HD2 LYS 11 1HD LYS 11 -8.373 -7.566 2.115
53 HD3 LYS 11 2HD LYS 11 -7.039 -8.114 3.134
54 HE2 LYS 11 1HE LYS 11 -8.268 -7.463 5.126
55 HE3 LYS 11 2HE LYS 11 -9.582 -6.833 4.134
56 HZ1 LYS 11 3HZ LYS 11 -8.784 -9.642 4.564
57 HZ2 LYS 11 1HZ LYS 11 -9.693 -9.197 3.208
58 HZ3 LYS 11 2HZ LYS 11 -10.306 -8.930 4.762
59 HA PRO 12 HA PRO 12 -4.463 -5.265 -2.658
60 HB2 PRO 12 1HB PRO 12 -5.832 -2.994 -3.241
61 HB3 PRO 12 2HB PRO 12 -6.414 -4.606 -3.676
62 HG2 PRO 12 1HG PRO 12 -7.189 -2.872 -1.362
63 HG3 PRO 12 2HG PRO 12 -8.222 -3.845 -2.426
64 HD2 PRO 12 1HD PRO 12 -7.486 -4.673 0.045
65 HD3 PRO 12 2HD PRO 12 -7.755 -5.801 -1.299
66 H TYR 13 H TYR 13 -4.887 -3.670 0.322
67 HA TYR 13 HA TYR 13 -2.802 -1.703 -0.355
68 HB2 TYR 13 1HB TYR 13 -4.827 -1.607 1.891
69 HB3 TYR 13 2HB TYR 13 -3.624 -0.372 1.536
70 HD1 TYR 13 HD1 TYR 13 -3.880 1.097 -0.394
71 HD2 TYR 13 HD2 TYR 13 -6.813 -1.845 0.525
72 HE1 TYR 13 HE1 TYR 13 -5.463 2.209 -1.914
73 HE2 TYR 13 HE2 TYR 13 -8.403 -0.742 -0.992
74 HH TYR 13 HH TYR 13 -8.801 1.081 -2.234
75 H LYS 14 H LYS 14 -0.897 -2.581 0.173
76 HA LYS 14 HA LYS 14 -0.551 -3.514 2.935
77 HB2 LYS 14 1HB LYS 14 -0.678 -5.544 1.676
78 HB3 LYS 14 2HB LYS 14 0.393 -4.912 0.432
79 HG2 LYS 14 1HG LYS 14 2.063 -4.725 2.472
80 HG3 LYS 14 2HG LYS 14 1.031 -6.004 3.115
81 HD2 LYS 14 1HD LYS 14 1.509 -7.437 1.301
82 HD3 LYS 14 2HD LYS 14 2.215 -6.126 0.352
83 HE2 LYS 14 1HE LYS 14 4.150 -6.066 1.669
84 HE3 LYS 14 2HE LYS 14 3.392 -6.966 2.982
85 HZ1 LYS 14 3HZ LYS 14 5.017 -8.230 1.562
86 HZ2 LYS 14 1HZ LYS 14 3.879 -8.153 0.313
87 HZ3 LYS 14 2HZ LYS 14 3.499 -8.952 1.754
88 H CYS 15 H CYS 15 1.159 -2.648 3.934
89 HA CYS 15 HA CYS 15 2.662 -0.589 2.752
90 HB2 CYS 15 1HB CYS 15 2.167 -1.061 5.251
91 HB3 CYS 15 2HB CYS 15 3.589 -2.097 5.183
92 H ASN 16 H ASN 16 4.198 -0.777 1.273
93 HA ASN 16 HA ASN 16 5.662 -3.270 0.980
94 HB2 ASN 16 1HB ASN 16 5.289 -0.813 -0.681
95 HB3 ASN 16 2HB ASN 16 6.707 -1.816 -0.968
96 HD21 ASN 16 1HD2 ASN 16 4.341 -1.270 -2.631
97 HD22 ASN 16 2HD2 ASN 16 3.678 -2.819 -3.012
98 H GLU 17 H GLU 17 6.038 -1.037 3.129
99 HA GLU 17 HA GLU 17 8.919 -0.615 2.742
100 HB2 GLU 17 1HB GLU 17 6.892 0.771 4.491
101 HB3 GLU 17 2HB GLU 17 8.623 1.017 4.671
102 HG2 GLU 17 1HG GLU 17 7.386 1.393 1.992
103 HG3 GLU 17 2HG GLU 17 7.172 2.638 3.222
104 H CYS 18 H CYS 18 6.534 -2.021 4.885
105 HA CYS 18 HA CYS 18 8.727 -3.227 6.441
106 HB2 CYS 18 1HB CYS 18 7.194 -3.243 8.394
107 HB3 CYS 18 2HB CYS 18 7.583 -1.616 7.844
108 H GLY 19 H GLY 19 5.375 -3.608 5.335
109 HA2 GLY 19 1HA GLY 19 5.015 -5.773 4.115
110 HA3 GLY 19 2HA GLY 19 5.754 -6.533 5.517
111 H LYS 20 H LYS 20 3.823 -3.865 6.312
112 HA LYS 20 HA LYS 20 1.883 -5.580 7.586
113 HB2 LYS 20 1HB LYS 20 2.517 -2.666 7.623
114 HB3 LYS 20 2HB LYS 20 0.908 -3.170 8.123
115 HG2 LYS 20 1HG LYS 20 2.084 -4.782 9.706
116 HG3 LYS 20 2HG LYS 20 3.551 -3.862 9.362
117 HD2 LYS 20 1HD LYS 20 2.676 -2.885 11.308
118 HD3 LYS 20 2HD LYS 20 2.194 -1.795 10.006
119 HE2 LYS 20 1HE LYS 20 0.222 -1.992 11.170
120 HE3 LYS 20 2HE LYS 20 0.036 -3.273 9.973
121 HZ1 LYS 20 3HZ LYS 20 1.304 -3.987 12.503
122 HZ2 LYS 20 1HZ LYS 20 0.252 -4.884 11.528
123 HZ3 LYS 20 2HZ LYS 20 -0.359 -3.675 12.541
124 H VAL 21 H VAL 21 -0.483 -4.980 7.429
125 HA VAL 21 HA VAL 21 -1.238 -4.154 4.714
126 HB VAL 21 HB VAL 21 -2.474 -6.540 6.086
127 HG11 VAL 21 1HG1 VAL 21 -2.805 -6.578 3.286
128 HG12 VAL 21 2HG1 VAL 21 -4.039 -6.333 4.524
129 HG13 VAL 21 3HG1 VAL 21 -3.199 -4.947 3.828
130 HG21 VAL 21 3HG2 VAL 21 -0.714 -6.808 3.694
131 HG22 VAL 21 1HG2 VAL 21 0.023 -6.672 5.291
132 HG23 VAL 21 2HG2 VAL 21 -1.101 -7.987 4.947
133 H PHE 22 H PHE 22 -3.250 -3.177 4.525
134 HA PHE 22 HA PHE 22 -4.825 -2.822 6.967
135 HB2 PHE 22 1HB PHE 22 -4.059 -0.486 5.213
136 HB3 PHE 22 2HB PHE 22 -4.910 -0.437 6.753
137 HD1 PHE 22 HD1 PHE 22 -1.652 -1.232 5.187
138 HD2 PHE 22 HD2 PHE 22 -3.739 -0.277 8.771
139 HE1 PHE 22 HE1 PHE 22 0.494 -0.946 6.356
140 HE2 PHE 22 HE2 PHE 22 -1.596 0.011 9.946
141 HZ PHE 22 HZ PHE 22 0.524 -0.323 8.738
142 H ARG 23 H ARG 23 -6.999 -2.090 6.590
143 HA ARG 23 HA ARG 23 -8.099 -3.188 4.170
144 HB2 ARG 23 1HB ARG 23 -9.156 -3.405 6.442
145 HB3 ARG 23 2HB ARG 23 -9.546 -1.692 6.358
146 HG2 ARG 23 1HG ARG 23 -10.799 -2.201 4.231
147 HG3 ARG 23 2HG ARG 23 -10.587 -3.909 4.621
148 HD2 ARG 23 1HD ARG 23 -11.562 -3.121 6.951
149 HD3 ARG 23 2HD ARG 23 -12.254 -1.841 5.956
150 HE ARG 23 HE ARG 23 -12.728 -4.392 4.808
151 HH11 ARG 23 1HH1 ARG 23 -13.776 -2.271 7.362
152 HH12 ARG 23 2HH1 ARG 23 -15.380 -2.923 7.423
153 HH21 ARG 23 1HH2 ARG 23 -14.837 -5.260 4.879
154 HH22 ARG 23 2HH2 ARG 23 -15.982 -4.624 6.011
155 H HIS 24 H HIS 24 -8.097 0.034 5.687
156 HA HIS 24 HA HIS 24 -8.922 1.187 3.115
157 HB2 HIS 24 1HB HIS 24 -10.059 1.647 5.464
158 HB3 HIS 24 2HB HIS 24 -8.754 2.821 5.609
159 HD1 HIS 24 HD1 HIS 24 -9.038 5.000 4.400
160 HD2 HIS 24 HD2 HIS 24 -11.824 2.150 3.227
161 HE1 HIS 24 HE1 HIS 24 -10.674 6.223 2.932
162 H ASN 25 H ASN 25 -7.740 2.790 2.110
163 HA ASN 25 HA ASN 25 -4.956 2.697 2.341
164 HB2 ASN 25 1HB ASN 25 -5.863 3.384 0.259
165 HB3 ASN 25 2HB ASN 25 -6.807 4.668 1.007
166 HD21 ASN 25 1HD2 ASN 25 -6.045 6.601 0.611
167 HD22 ASN 25 2HD2 ASN 25 -4.382 7.027 0.413
168 H SER 26 H SER 26 -7.272 5.120 3.506
169 HA SER 26 HA SER 26 -5.670 7.088 4.454
170 HB2 SER 26 1HB SER 26 -8.056 7.251 4.712
171 HB3 SER 26 2HB SER 26 -8.086 5.864 5.800
172 HG SER 26 HG SER 26 -6.715 7.185 7.208
173 H TYR 27 H TYR 27 -6.259 3.966 6.005
174 HA TYR 27 HA TYR 27 -4.721 4.543 8.334
175 HB2 TYR 27 1HB TYR 27 -5.385 1.810 7.231
176 HB3 TYR 27 2HB TYR 27 -5.009 2.228 8.899
177 HD1 TYR 27 HD2 TYR 27 -6.706 4.673 9.194
178 HD2 TYR 27 HD1 TYR 27 -7.539 0.898 7.415
179 HE1 TYR 27 HE2 TYR 27 -9.100 4.989 9.658
180 HE2 TYR 27 HE1 TYR 27 -9.936 1.204 7.874
181 HH TYR 27 HH TYR 27 -11.133 4.117 9.522
182 H LEU 28 H LEU 28 -4.034 3.071 5.219
183 HA LEU 28 HA LEU 28 -1.460 2.079 5.881
184 HB2 LEU 28 1HB LEU 28 -2.510 1.136 4.000
185 HB3 LEU 28 2HB LEU 28 -2.835 2.715 3.290
186 HG LEU 28 HG LEU 28 -0.458 2.989 2.796
187 HD11 LEU 28 1HD1 LEU 28 -0.191 0.248 4.019
188 HD12 LEU 28 2HD1 LEU 28 0.520 1.750 4.610
189 HD13 LEU 28 3HD1 LEU 28 1.064 1.059 3.081
190 HD21 LEU 28 3HD2 LEU 28 -2.216 1.520 1.413
191 HD22 LEU 28 1HD2 LEU 28 -0.990 0.289 1.716
192 HD23 LEU 28 2HD2 LEU 28 -0.553 1.782 0.883
193 H SER 29 H SER 29 -2.477 4.969 4.058
194 HA SER 29 HA SER 29 0.028 6.068 3.618
195 HB2 SER 29 1HB SER 29 -2.072 6.910 2.604
196 HB3 SER 29 2HB SER 29 -2.535 7.586 4.166
197 HG SER 29 HG SER 29 -1.565 9.199 2.973
198 H ARG 30 H ARG 30 -2.210 6.835 6.287
199 HA ARG 30 HA ARG 30 -0.611 8.590 7.691
200 HB2 ARG 30 1HB ARG 30 -1.951 8.097 9.627
201 HB3 ARG 30 2HB ARG 30 -2.989 8.052 8.208
202 HG2 ARG 30 1HG ARG 30 -3.084 5.689 8.238
203 HG3 ARG 30 2HG ARG 30 -1.782 5.584 9.424
204 HD2 ARG 30 1HD ARG 30 -3.430 7.026 10.877
205 HD3 ARG 30 2HD ARG 30 -4.642 6.339 9.795
206 HE ARG 30 HE ARG 30 -2.972 4.298 10.804
207 HH11 ARG 30 1HH1 ARG 30 -5.533 6.450 11.766
208 HH12 ARG 30 2HH1 ARG 30 -6.141 5.389 12.993
209 HH21 ARG 30 1HH2 ARG 30 -3.763 2.892 12.417
210 HH22 ARG 30 2HH2 ARG 30 -5.133 3.366 13.363
211 H HIS 31 H HIS 31 -0.420 5.112 7.497
212 HA HIS 31 HA HIS 31 1.367 4.809 9.720
213 HB2 HIS 31 1HB HIS 31 0.104 2.887 9.239
214 HB3 HIS 31 2HB HIS 31 0.433 2.992 7.512
215 HD1 HIS 31 HD1 HIS 31 2.051 1.968 10.754
216 HD2 HIS 31 HD2 HIS 31 2.712 1.685 6.662
217 HE1 HIS 31 HE1 HIS 31 3.972 0.366 10.493
218 H GLN 32 H GLN 32 1.724 4.889 6.193
219 HA GLN 32 HA GLN 32 4.386 4.285 5.920
220 HB2 GLN 32 1HB GLN 32 2.693 6.282 4.421
221 HB3 GLN 32 2HB GLN 32 4.337 5.880 3.941
222 HG2 GLN 32 1HG GLN 32 3.586 3.475 3.831
223 HG3 GLN 32 2HG GLN 32 1.938 4.076 4.008
224 HE21 GLN 32 1HE2 GLN 32 2.858 2.621 1.799
225 HE22 GLN 32 2HE2 GLN 32 2.796 3.645 0.409
226 H ARG 33 H ARG 33 3.013 6.992 7.490
227 HA ARG 33 HA ARG 33 4.893 8.986 7.186
228 HB2 ARG 33 1HB ARG 33 3.452 8.240 9.738
229 HB3 ARG 33 2HB ARG 33 4.199 9.795 9.393
230 HG2 ARG 33 1HG ARG 33 1.945 8.628 7.779
231 HG3 ARG 33 2HG ARG 33 1.722 9.740 9.131
232 HD2 ARG 33 1HD ARG 33 3.452 10.380 6.755
233 HD3 ARG 33 2HD ARG 33 1.734 10.769 6.818
234 HE ARG 33 HE ARG 33 3.872 12.095 8.223
235 HH11 ARG 33 1HH1 ARG 33 0.450 11.465 8.107
236 HH12 ARG 33 2HH1 ARG 33 0.026 12.880 9.013
237 HH21 ARG 33 1HH2 ARG 33 3.327 13.961 9.417
238 HH22 ARG 33 2HH2 ARG 33 1.663 14.299 9.757
239 H ILE 34 H ILE 34 4.902 6.385 9.619
240 HA ILE 34 HA ILE 34 7.277 7.040 10.898
241 HB ILE 34 HB ILE 34 7.380 4.763 11.681
242 HG12 ILE 34 1HG1 ILE 34 5.111 3.905 9.943
243 HG13 ILE 34 2HG1 ILE 34 6.724 3.946 9.242
244 HG21 ILE 34 1HG2 ILE 34 5.732 5.431 13.018
245 HG22 ILE 34 2HG2 ILE 34 4.959 6.336 11.717
246 HG23 ILE 34 3HG2 ILE 34 4.615 4.619 11.922
247 HD11 ILE 34 3HD1 ILE 34 7.481 2.231 10.541
248 HD12 ILE 34 1HD1 ILE 34 6.340 2.565 11.843
249 HD13 ILE 34 2HD1 ILE 34 5.785 1.778 10.365
250 H HIS 35 H HIS 35 6.755 5.613 7.790
251 HA HIS 35 HA HIS 35 9.466 4.634 7.532
252 HB2 HIS 35 1HB HIS 35 7.101 4.745 5.670
253 HB3 HIS 35 2HB HIS 35 8.697 4.256 5.110
254 HD1 HIS 35 HD1 HIS 35 9.706 2.308 7.019
255 HD2 HIS 35 HD2 HIS 35 5.647 2.537 6.165
256 HE1 HIS 35 HE1 HIS 35 8.757 0.070 7.662
257 H THR 36 H THR 36 7.580 6.855 5.478
258 HA THR 36 HA THR 36 9.766 8.049 4.236
259 HB THR 36 HB THR 36 7.548 8.322 3.321
260 HG1 THR 36 HG1 THR 36 8.459 10.081 2.567
261 HG21 THR 36 3HG2 THR 36 6.524 8.502 5.702
262 HG22 THR 36 1HG2 THR 36 5.764 9.376 4.373
263 HG23 THR 36 2HG2 THR 36 6.808 10.231 5.508
264 H GLY 37 H GLY 37 7.905 9.182 7.056
265 HA2 GLY 37 1HA GLY 37 8.390 10.768 8.648
266 HA3 GLY 37 2HA GLY 37 10.030 10.149 8.522
267 H GLU 38 H GLU 38 7.890 12.732 7.778
268 HA GLU 38 HA GLU 38 9.694 14.053 5.952
269 HB2 GLU 38 1HB GLU 38 7.045 14.730 7.180
270 HB3 GLU 38 2HB GLU 38 8.001 15.993 6.417
271 HG2 GLU 38 1HG GLU 38 7.340 13.448 4.984
272 HG3 GLU 38 2HG GLU 38 6.225 14.813 5.015
273 H LYS 39 H LYS 39 11.509 14.925 6.692
274 HA LYS 39 HA LYS 39 11.420 16.382 9.253
275 HB2 LYS 39 1HB LYS 39 13.739 15.791 9.622
276 HB3 LYS 39 2HB LYS 39 12.798 14.329 9.356
277 HG2 LYS 39 1HG LYS 39 14.132 15.571 7.014
278 HG3 LYS 39 2HG LYS 39 15.131 14.717 8.192
279 HD2 LYS 39 1HD LYS 39 12.653 13.448 7.086
280 HD3 LYS 39 2HD LYS 39 14.164 13.411 6.174
281 HE2 LYS 39 1HE LYS 39 14.354 11.459 7.353
282 HE3 LYS 39 2HE LYS 39 15.140 12.573 8.471
283 HZ1 LYS 39 3HZ LYS 39 13.453 12.428 9.947
284 HZ2 LYS 39 1HZ LYS 39 13.227 10.919 9.216
285 HZ3 LYS 39 2HZ LYS 39 12.260 12.231 8.763
286 HA PRO 40 HA PRO 40 12.674 20.012 7.120
287 HB2 PRO 40 1HB PRO 40 14.096 21.270 9.061
288 HB3 PRO 40 2HB PRO 40 12.334 21.135 9.095
289 HG2 PRO 40 1HG PRO 40 14.386 19.498 10.533
290 HG3 PRO 40 2HG PRO 40 12.855 20.155 11.139
291 HD2 PRO 40 1HD PRO 40 13.133 17.570 10.380
292 HD3 PRO 40 2HD PRO 40 11.609 18.462 10.192
293 H SER 41 H SER 41 14.756 17.556 7.810
294 HA SER 41 HA SER 41 17.317 18.291 7.786
295 HB2 SER 41 1HB SER 41 15.878 16.181 6.247
296 HB3 SER 41 2HB SER 41 17.572 16.476 5.853
297 HG SER 41 HG SER 41 17.224 14.878 7.517
298 H GLY 42 H GLY 42 15.297 18.338 4.850
299 HA2 GLY 42 1HA GLY 42 15.854 20.657 3.713
300 HA3 GLY 42 2HA GLY 42 17.379 19.827 3.441
301 HA PRO 43 HA PRO 43 14.053 17.367 0.932
302 HB2 PRO 43 1HB PRO 43 11.590 18.495 0.752
303 HB3 PRO 43 2HB PRO 43 12.035 17.358 2.030
304 HG2 PRO 43 1HG PRO 43 11.918 20.349 2.110
305 HG3 PRO 43 2HG PRO 43 11.363 19.174 3.318
306 HD2 PRO 43 1HD PRO 43 13.711 20.502 3.549
307 HD3 PRO 43 2HD PRO 43 13.483 18.852 4.163
308 H SER 44 H SER 44 12.587 17.977 -1.113
309 HA SER 44 HA SER 44 14.158 19.924 -2.579
310 HB2 SER 44 1HB SER 44 13.538 17.648 -3.496
311 HB3 SER 44 2HB SER 44 11.880 18.235 -3.625
312 HG SER 44 HG SER 44 13.884 19.815 -4.739
313 H SER 45 H SER 45 13.593 21.991 -2.484
314 HA SER 45 HA SER 45 10.823 22.729 -3.008
315 HB2 SER 45 1HB SER 45 10.889 22.690 -0.580
316 HB3 SER 45 2HB SER 45 12.351 23.677 -0.572
317 HG SER 45 HG SER 45 9.799 24.470 -0.654
318 H GLY 46 H GLY 46 10.613 25.112 -3.399
319 HA2 GLY 46 1HA GLY 46 12.480 27.009 -3.707
320 HA3 GLY 46 2HA GLY 46 12.829 25.961 -5.074
Start of MODEL 3
1 H1 GLY 1 H GLY 1 8.622 -16.277 15.781
2 HA2 GLY 1 1HA GLY 1 8.100 -18.730 14.254
3 HA3 GLY 1 2HA GLY 1 8.237 -18.617 16.002
4 H SER 2 H SER 2 6.342 -19.357 16.741
5 HA SER 2 HA SER 2 3.863 -19.041 15.436
6 HB2 SER 2 1HB SER 2 2.884 -20.042 17.362
7 HB3 SER 2 2HB SER 2 4.475 -20.782 17.190
8 HG SER 2 HG SER 2 3.594 -19.725 19.331
9 H SER 3 H SER 3 2.360 -17.481 15.494
10 HA SER 3 HA SER 3 2.012 -15.641 17.609
11 HB2 SER 3 1HB SER 3 3.790 -14.827 15.358
12 HB3 SER 3 2HB SER 3 2.654 -13.631 15.982
13 HG SER 3 HG SER 3 4.881 -14.775 17.188
14 H GLY 4 H GLY 4 -0.096 -15.269 17.538
15 HA2 GLY 4 1HA GLY 4 -1.614 -15.705 15.138
16 HA3 GLY 4 2HA GLY 4 -2.249 -15.206 16.699
17 H SER 5 H SER 5 -0.665 -14.065 13.763
18 HA SER 5 HA SER 5 -1.742 -11.379 14.325
19 HB2 SER 5 1HB SER 5 0.708 -12.028 12.670
20 HB3 SER 5 2HB SER 5 0.118 -10.422 13.098
21 HG SER 5 HG SER 5 1.186 -12.399 14.825
22 H SER 6 H SER 6 -3.124 -10.555 12.888
23 HA SER 6 HA SER 6 -4.109 -12.129 10.752
24 HB2 SER 6 1HB SER 6 -4.616 -9.357 11.755
25 HB3 SER 6 2HB SER 6 -5.220 -9.804 10.160
26 HG SER 6 HG SER 6 -6.381 -11.480 11.112
27 H GLY 7 H GLY 7 -2.578 -12.598 9.225
28 HA2 GLY 7 1HA GLY 7 -1.543 -10.285 7.705
29 HA3 GLY 7 2HA GLY 7 -0.558 -11.705 8.027
30 H THR 8 H THR 8 -2.542 -13.673 7.572
31 HA THR 8 HA THR 8 -2.234 -14.407 5.016
32 HB THR 8 HB THR 8 -3.442 -15.807 6.599
33 HG1 THR 8 HG1 THR 8 -5.178 -16.441 5.112
34 HG21 THR 8 3HG2 THR 8 -6.010 -14.392 6.155
35 HG22 THR 8 1HG2 THR 8 -4.875 -13.658 7.287
36 HG23 THR 8 2HG2 THR 8 -5.448 -15.304 7.555
37 H GLY 9 H GLY 9 -4.659 -12.092 6.150
38 HA2 GLY 9 1HA GLY 9 -6.265 -11.696 4.015
39 HA3 GLY 9 2HA GLY 9 -5.654 -10.360 4.981
40 H GLU 10 H GLU 10 -6.176 -10.949 1.979
41 HA GLU 10 HA GLU 10 -3.548 -10.054 0.998
42 HB2 GLU 10 1HB GLU 10 -5.807 -11.450 -0.444
43 HB3 GLU 10 2HB GLU 10 -4.382 -10.804 -1.246
44 HG2 GLU 10 1HG GLU 10 -2.964 -12.307 0.055
45 HG3 GLU 10 2HG GLU 10 -4.392 -12.955 0.860
46 H LYS 11 H LYS 11 -5.222 -8.204 2.234
47 HA LYS 11 HA LYS 11 -7.011 -6.789 0.705
48 HB2 LYS 11 1HB LYS 11 -4.926 -5.580 2.530
49 HB3 LYS 11 2HB LYS 11 -6.443 -4.835 2.044
50 HG2 LYS 11 1HG LYS 11 -6.485 -7.465 3.446
51 HG3 LYS 11 2HG LYS 11 -6.224 -5.983 4.369
52 HD2 LYS 11 1HD LYS 11 -8.337 -5.201 3.969
53 HD3 LYS 11 2HD LYS 11 -8.473 -6.044 2.424
54 HE2 LYS 11 1HE LYS 11 -8.521 -7.387 5.124
55 HE3 LYS 11 2HE LYS 11 -9.956 -6.956 4.195
56 HZ1 LYS 11 3HZ LYS 11 -9.616 -9.146 3.622
57 HZ2 LYS 11 1HZ LYS 11 -7.930 -9.013 3.622
58 HZ3 LYS 11 2HZ LYS 11 -8.831 -8.344 2.356
59 HA PRO 12 HA PRO 12 -4.823 -5.070 -2.696
60 HB2 PRO 12 1HB PRO 12 -6.263 -2.805 -3.104
61 HB3 PRO 12 2HB PRO 12 -6.870 -4.415 -3.509
62 HG2 PRO 12 1HG PRO 12 -7.433 -2.729 -1.100
63 HG3 PRO 12 2HG PRO 12 -8.554 -3.695 -2.077
64 HD2 PRO 12 1HD PRO 12 -7.575 -4.556 0.297
65 HD3 PRO 12 2HD PRO 12 -7.963 -5.664 -1.035
66 H TYR 13 H TYR 13 -4.957 -3.544 0.341
67 HA TYR 13 HA TYR 13 -2.934 -1.571 -0.497
68 HB2 TYR 13 1HB TYR 13 -4.869 -1.445 1.824
69 HB3 TYR 13 2HB TYR 13 -3.615 -0.256 1.495
70 HD1 TYR 13 HD1 TYR 13 -3.794 1.229 -0.461
71 HD2 TYR 13 HD2 TYR 13 -6.906 -1.489 0.553
72 HE1 TYR 13 HE1 TYR 13 -5.340 2.462 -1.925
73 HE2 TYR 13 HE2 TYR 13 -8.460 -0.265 -0.908
74 HH TYR 13 HH TYR 13 -8.679 1.365 -2.409
75 H LYS 14 H LYS 14 -1.064 -2.664 -0.156
76 HA LYS 14 HA LYS 14 -0.555 -3.573 2.600
77 HB2 LYS 14 1HB LYS 14 -0.720 -5.531 1.194
78 HB3 LYS 14 2HB LYS 14 0.384 -4.829 0.017
79 HG2 LYS 14 1HG LYS 14 2.099 -4.805 1.914
80 HG3 LYS 14 2HG LYS 14 0.989 -5.892 2.753
81 HD2 LYS 14 1HD LYS 14 1.135 -7.501 0.969
82 HD3 LYS 14 2HD LYS 14 2.096 -6.389 -0.009
83 HE2 LYS 14 1HE LYS 14 3.616 -7.939 0.938
84 HE3 LYS 14 2HE LYS 14 3.812 -6.434 1.835
85 HZ1 LYS 14 3HZ LYS 14 2.822 -9.006 2.730
86 HZ2 LYS 14 1HZ LYS 14 1.956 -7.668 3.299
87 HZ3 LYS 14 2HZ LYS 14 3.617 -7.789 3.596
88 H CYS 15 H CYS 15 1.344 -2.956 3.526
89 HA CYS 15 HA CYS 15 2.775 -0.804 2.255
90 HB2 CYS 15 1HB CYS 15 2.227 -0.775 4.673
91 HB3 CYS 15 2HB CYS 15 3.292 -2.157 4.912
92 H ASN 16 H ASN 16 4.685 -0.889 1.245
93 HA ASN 16 HA ASN 16 5.952 -3.495 0.930
94 HB2 ASN 16 1HB ASN 16 6.054 -0.898 -0.553
95 HB3 ASN 16 2HB ASN 16 7.394 -2.028 -0.721
96 HD21 ASN 16 1HD2 ASN 16 6.869 -4.211 -1.420
97 HD22 ASN 16 2HD2 ASN 16 5.541 -4.446 -2.501
98 H GLU 17 H GLU 17 6.357 -0.629 2.715
99 HA GLU 17 HA GLU 17 9.189 -0.622 2.949
100 HB2 GLU 17 1HB GLU 17 7.098 0.511 4.817
101 HB3 GLU 17 2HB GLU 17 8.816 0.881 4.863
102 HG2 GLU 17 1HG GLU 17 6.809 1.623 2.763
103 HG3 GLU 17 2HG GLU 17 7.790 2.687 3.769
104 H CYS 18 H CYS 18 6.615 -1.764 5.134
105 HA CYS 18 HA CYS 18 8.634 -3.414 6.506
106 HB2 CYS 18 1HB CYS 18 7.054 -3.418 8.431
107 HB3 CYS 18 2HB CYS 18 7.638 -1.810 8.016
108 H GLY 19 H GLY 19 5.295 -3.378 5.306
109 HA2 GLY 19 1HA GLY 19 4.816 -5.455 3.936
110 HA3 GLY 19 2HA GLY 19 5.330 -6.330 5.371
111 H LYS 20 H LYS 20 4.038 -4.306 7.130
112 HA LYS 20 HA LYS 20 1.729 -5.537 7.809
113 HB2 LYS 20 1HB LYS 20 2.662 -2.723 8.051
114 HB3 LYS 20 2HB LYS 20 0.971 -3.045 8.409
115 HG2 LYS 20 1HG LYS 20 1.677 -4.746 10.051
116 HG3 LYS 20 2HG LYS 20 3.359 -4.314 9.733
117 HD2 LYS 20 1HD LYS 20 2.942 -3.008 11.569
118 HD3 LYS 20 2HD LYS 20 2.489 -1.889 10.281
119 HE2 LYS 20 1HE LYS 20 0.132 -3.060 10.614
120 HE3 LYS 20 2HE LYS 20 0.783 -3.353 12.225
121 HZ1 LYS 20 3HZ LYS 20 1.009 -0.650 11.132
122 HZ2 LYS 20 1HZ LYS 20 0.778 -1.153 12.731
123 HZ3 LYS 20 2HZ LYS 20 -0.519 -1.163 11.646
124 H VAL 21 H VAL 21 -0.476 -5.329 7.353
125 HA VAL 21 HA VAL 21 -1.091 -4.054 4.765
126 HB VAL 21 HB VAL 21 -2.381 -6.533 5.915
127 HG11 VAL 21 1HG1 VAL 21 -2.923 -4.829 3.542
128 HG12 VAL 21 2HG1 VAL 21 -3.124 -6.574 3.375
129 HG13 VAL 21 3HG1 VAL 21 -4.043 -5.692 4.595
130 HG21 VAL 21 3HG2 VAL 21 -0.815 -7.765 4.927
131 HG22 VAL 21 1HG2 VAL 21 -1.028 -6.902 3.404
132 HG23 VAL 21 2HG2 VAL 21 0.088 -6.281 4.620
133 H PHE 22 H PHE 22 -3.183 -3.149 4.512
134 HA PHE 22 HA PHE 22 -4.762 -2.796 6.952
135 HB2 PHE 22 1HB PHE 22 -3.997 -0.462 5.193
136 HB3 PHE 22 2HB PHE 22 -4.868 -0.410 6.722
137 HD1 PHE 22 HD1 PHE 22 -1.591 -1.378 5.258
138 HD2 PHE 22 HD2 PHE 22 -3.717 -0.051 8.698
139 HE1 PHE 22 HE1 PHE 22 0.538 -1.076 6.453
140 HE2 PHE 22 HE2 PHE 22 -1.592 0.255 9.898
141 HZ PHE 22 HZ PHE 22 0.540 -0.257 8.776
142 H ARG 23 H ARG 23 -6.947 -2.206 6.592
143 HA ARG 23 HA ARG 23 -8.004 -3.234 4.124
144 HB2 ARG 23 1HB ARG 23 -8.958 -3.387 6.573
145 HB3 ARG 23 2HB ARG 23 -9.703 -1.849 6.158
146 HG2 ARG 23 1HG ARG 23 -10.788 -2.899 4.231
147 HG3 ARG 23 2HG ARG 23 -10.053 -4.443 4.670
148 HD2 ARG 23 1HD ARG 23 -11.235 -4.396 6.810
149 HD3 ARG 23 2HD ARG 23 -11.960 -2.848 6.378
150 HE ARG 23 HE ARG 23 -12.763 -5.452 5.469
151 HH11 ARG 23 1HH1 ARG 23 -12.760 -2.046 4.748
152 HH12 ARG 23 2HH1 ARG 23 -14.153 -2.129 3.722
153 HH21 ARG 23 1HH2 ARG 23 -14.598 -5.575 4.120
154 HH22 ARG 23 2HH2 ARG 23 -15.198 -4.137 3.366
155 H HIS 24 H HIS 24 -7.997 -0.083 5.762
156 HA HIS 24 HA HIS 24 -8.959 1.154 3.275
157 HB2 HIS 24 1HB HIS 24 -10.075 1.486 5.635
158 HB3 HIS 24 2HB HIS 24 -8.770 2.647 5.863
159 HD1 HIS 24 HD1 HIS 24 -9.668 4.908 5.468
160 HD2 HIS 24 HD2 HIS 24 -11.223 2.147 2.781
161 HE1 HIS 24 HE1 HIS 24 -11.147 6.232 3.924
162 H ASN 25 H ASN 25 -7.753 2.620 2.190
163 HA ASN 25 HA ASN 25 -4.999 2.655 2.398
164 HB2 ASN 25 1HB ASN 25 -5.218 4.872 1.075
165 HB3 ASN 25 2HB ASN 25 -5.854 3.398 0.351
166 HD21 ASN 25 1HD2 ASN 25 -8.054 3.135 0.130
167 HD22 ASN 25 2HD2 ASN 25 -9.174 4.433 0.347
168 H SER 26 H SER 26 -7.327 5.015 3.669
169 HA SER 26 HA SER 26 -5.791 7.003 4.626
170 HB2 SER 26 1HB SER 26 -8.288 6.661 4.981
171 HB3 SER 26 2HB SER 26 -7.862 5.694 6.393
172 HG SER 26 HG SER 26 -8.091 7.692 7.200
173 H TYR 27 H TYR 27 -6.150 3.824 6.145
174 HA TYR 27 HA TYR 27 -4.496 4.408 8.381
175 HB2 TYR 27 1HB TYR 27 -5.134 1.698 7.202
176 HB3 TYR 27 2HB TYR 27 -4.576 2.029 8.838
177 HD1 TYR 27 HD2 TYR 27 -6.195 4.069 9.895
178 HD2 TYR 27 HD1 TYR 27 -7.328 1.010 7.164
179 HE1 TYR 27 HE2 TYR 27 -8.526 4.264 10.654
180 HE2 TYR 27 HE1 TYR 27 -9.663 1.197 7.915
181 HH TYR 27 HH TYR 27 -10.969 1.992 9.688
182 H LEU 28 H LEU 28 -3.911 3.066 5.186
183 HA LEU 28 HA LEU 28 -1.245 2.220 5.675
184 HB2 LEU 28 1HB LEU 28 -2.419 1.267 3.841
185 HB3 LEU 28 2HB LEU 28 -2.760 2.854 3.154
186 HG LEU 28 HG LEU 28 -0.368 3.121 2.636
187 HD11 LEU 28 1HD1 LEU 28 0.843 0.762 2.703
188 HD12 LEU 28 2HD1 LEU 28 -0.215 0.545 4.096
189 HD13 LEU 28 3HD1 LEU 28 0.919 1.895 4.052
190 HD21 LEU 28 3HD2 LEU 28 -1.810 0.710 1.566
191 HD22 LEU 28 1HD2 LEU 28 -0.274 1.270 0.905
192 HD23 LEU 28 2HD2 LEU 28 -1.689 2.321 0.857
193 H SER 29 H SER 29 -2.588 5.104 4.076
194 HA SER 29 HA SER 29 -0.156 6.354 3.499
195 HB2 SER 29 1HB SER 29 -2.102 7.212 2.444
196 HB3 SER 29 2HB SER 29 -2.925 7.452 3.985
197 HG SER 29 HG SER 29 -2.166 9.403 3.849
198 H ARG 30 H ARG 30 -2.277 6.693 6.330
199 HA ARG 30 HA ARG 30 -0.672 8.595 7.668
200 HB2 ARG 30 1HB ARG 30 -2.077 8.260 9.539
201 HB3 ARG 30 2HB ARG 30 -3.104 8.025 8.131
202 HG2 ARG 30 1HG ARG 30 -2.877 5.597 8.382
203 HG3 ARG 30 2HG ARG 30 -1.875 5.851 9.813
204 HD2 ARG 30 1HD ARG 30 -4.642 6.994 9.597
205 HD3 ARG 30 2HD ARG 30 -4.364 5.347 10.161
206 HE ARG 30 HE ARG 30 -3.774 7.800 11.575
207 HH11 ARG 30 1HH1 ARG 30 -3.230 4.370 11.338
208 HH12 ARG 30 2HH1 ARG 30 -2.735 4.202 12.990
209 HH21 ARG 30 1HH2 ARG 30 -3.124 7.592 13.752
210 HH22 ARG 30 2HH2 ARG 30 -2.676 6.036 14.362
211 H HIS 31 H HIS 31 -0.435 5.177 7.304
212 HA HIS 31 HA HIS 31 1.258 4.774 9.606
213 HB2 HIS 31 1HB HIS 31 0.083 2.839 9.135
214 HB3 HIS 31 2HB HIS 31 0.219 3.053 7.393
215 HD1 HIS 31 HD1 HIS 31 2.522 2.241 10.314
216 HD2 HIS 31 HD2 HIS 31 2.053 1.417 6.269
217 HE1 HIS 31 HE1 HIS 31 4.318 0.572 9.755
218 H GLN 32 H GLN 32 1.749 4.523 6.080
219 HA GLN 32 HA GLN 32 4.385 4.032 5.881
220 HB2 GLN 32 1HB GLN 32 2.638 5.895 4.312
221 HB3 GLN 32 2HB GLN 32 4.348 5.761 3.926
222 HG2 GLN 32 1HG GLN 32 2.759 3.264 4.157
223 HG3 GLN 32 2HG GLN 32 2.536 4.276 2.731
224 HE21 GLN 32 1HE2 GLN 32 3.660 3.515 1.099
225 HE22 GLN 32 2HE2 GLN 32 5.262 2.872 1.172
226 H ARG 33 H ARG 33 2.967 6.915 7.175
227 HA ARG 33 HA ARG 33 4.965 8.785 6.947
228 HB2 ARG 33 1HB ARG 33 3.278 8.274 9.404
229 HB3 ARG 33 2HB ARG 33 4.118 9.771 9.021
230 HG2 ARG 33 1HG ARG 33 2.665 9.585 6.814
231 HG3 ARG 33 2HG ARG 33 1.624 8.646 7.885
232 HD2 ARG 33 1HD ARG 33 0.882 10.899 7.998
233 HD3 ARG 33 2HD ARG 33 1.734 10.563 9.504
234 HE ARG 33 HE ARG 33 3.438 11.715 7.521
235 HH11 ARG 33 1HH1 ARG 33 1.044 12.436 9.944
236 HH12 ARG 33 2HH1 ARG 33 1.604 14.055 10.203
237 HH21 ARG 33 1HH2 ARG 33 4.184 13.845 7.853
238 HH22 ARG 33 2HH2 ARG 33 3.390 14.856 9.012
239 H ILE 34 H ILE 34 4.649 6.304 9.479
240 HA ILE 34 HA ILE 34 6.887 6.936 10.983
241 HB ILE 34 HB ILE 34 6.867 4.672 11.811
242 HG12 ILE 34 1HG1 ILE 34 4.784 3.816 9.852
243 HG13 ILE 34 2HG1 ILE 34 6.465 3.818 9.330
244 HG21 ILE 34 1HG2 ILE 34 4.151 5.832 11.251
245 HG22 ILE 34 2HG2 ILE 34 4.391 4.432 12.295
246 HG23 ILE 34 3HG2 ILE 34 5.124 5.980 12.714
247 HD11 ILE 34 3HD1 ILE 34 6.333 1.700 10.107
248 HD12 ILE 34 1HD1 ILE 34 6.771 2.506 11.613
249 HD13 ILE 34 2HD1 ILE 34 5.087 2.091 11.292
250 H HIS 35 H HIS 35 6.722 5.672 7.812
251 HA HIS 35 HA HIS 35 9.457 4.646 7.894
252 HB2 HIS 35 1HB HIS 35 7.357 4.608 5.719
253 HB3 HIS 35 2HB HIS 35 8.983 3.958 5.530
254 HD1 HIS 35 HD1 HIS 35 9.381 2.343 8.015
255 HD2 HIS 35 HD2 HIS 35 5.758 2.449 5.985
256 HE1 HIS 35 HE1 HIS 35 8.178 0.235 8.676
257 H THR 36 H THR 36 7.570 6.862 5.828
258 HA THR 36 HA THR 36 9.805 8.001 4.551
259 HB THR 36 HB THR 36 8.253 9.843 3.905
260 HG1 THR 36 HG1 THR 36 6.077 9.662 4.596
261 HG21 THR 36 3HG2 THR 36 8.283 7.254 3.046
262 HG22 THR 36 1HG2 THR 36 7.374 8.556 2.280
263 HG23 THR 36 2HG2 THR 36 6.577 7.481 3.430
264 H GLY 37 H GLY 37 11.381 9.067 5.561
265 HA2 GLY 37 1HA GLY 37 10.606 11.041 7.620
266 HA3 GLY 37 2HA GLY 37 12.042 10.039 7.772
267 H GLU 38 H GLU 38 10.549 12.626 5.898
268 HA GLU 38 HA GLU 38 13.252 13.562 5.208
269 HB2 GLU 38 1HB GLU 38 10.883 13.161 3.447
270 HB3 GLU 38 2HB GLU 38 11.916 14.548 3.130
271 HG2 GLU 38 1HG GLU 38 13.852 12.888 3.137
272 HG3 GLU 38 2HG GLU 38 12.615 11.636 3.032
273 H LYS 39 H LYS 39 13.480 15.232 6.580
274 HA LYS 39 HA LYS 39 11.649 17.481 6.271
275 HB2 LYS 39 1HB LYS 39 12.367 16.310 8.965
276 HB3 LYS 39 2HB LYS 39 11.502 17.821 8.714
277 HG2 LYS 39 1HG LYS 39 9.609 16.709 7.855
278 HG3 LYS 39 2HG LYS 39 10.488 15.189 7.681
279 HD2 LYS 39 1HD LYS 39 9.316 14.785 9.615
280 HD3 LYS 39 2HD LYS 39 10.813 15.449 10.275
281 HE2 LYS 39 1HE LYS 39 9.520 17.726 10.035
282 HE3 LYS 39 2HE LYS 39 8.103 16.678 10.081
283 HZ1 LYS 39 3HZ LYS 39 10.186 17.017 12.158
284 HZ2 LYS 39 1HZ LYS 39 9.106 15.715 12.167
285 HZ3 LYS 39 2HZ LYS 39 8.523 17.298 12.290
286 HA PRO 40 HA PRO 40 15.376 19.809 6.324
287 HB2 PRO 40 1HB PRO 40 14.429 22.214 7.154
288 HB3 PRO 40 2HB PRO 40 14.128 21.570 5.536
289 HG2 PRO 40 1HG PRO 40 12.347 21.555 7.943
290 HG3 PRO 40 2HG PRO 40 11.941 21.906 6.252
291 HD2 PRO 40 1HD PRO 40 11.434 19.509 7.405
292 HD3 PRO 40 2HD PRO 40 11.834 19.674 5.684
293 H SER 41 H SER 41 16.982 20.527 7.697
294 HA SER 41 HA SER 41 16.763 19.727 10.438
295 HB2 SER 41 1HB SER 41 18.992 21.150 8.963
296 HB3 SER 41 2HB SER 41 19.116 20.511 10.602
297 HG SER 41 HG SER 41 18.329 18.469 9.406
298 H GLY 42 H GLY 42 17.296 22.854 8.813
299 HA2 GLY 42 1HA GLY 42 17.408 24.490 11.044
300 HA3 GLY 42 2HA GLY 42 16.794 24.994 9.477
301 HA PRO 43 HA PRO 43 13.416 24.945 12.790
302 HB2 PRO 43 1HB PRO 43 13.028 27.628 12.926
303 HB3 PRO 43 2HB PRO 43 14.179 26.771 13.957
304 HG2 PRO 43 1HG PRO 43 14.677 28.329 11.450
305 HG3 PRO 43 2HG PRO 43 15.600 28.320 12.964
306 HD2 PRO 43 1HD PRO 43 16.380 26.931 10.774
307 HD3 PRO 43 2HD PRO 43 16.704 26.369 12.427
308 H SER 44 H SER 44 11.223 25.279 12.367
309 HA SER 44 HA SER 44 10.568 25.570 9.564
310 HB2 SER 44 1HB SER 44 9.090 24.697 12.017
311 HB3 SER 44 2HB SER 44 8.172 25.189 10.594
312 HG SER 44 HG SER 44 9.878 23.636 9.568
313 H SER 45 H SER 45 9.988 27.409 8.637
314 HA SER 45 HA SER 45 9.045 29.612 10.348
315 HB2 SER 45 1HB SER 45 11.213 29.777 8.887
316 HB3 SER 45 2HB SER 45 10.078 30.033 7.563
317 HG SER 45 HG SER 45 10.937 31.909 8.942
318 H GLY 46 H GLY 46 6.855 29.280 10.337
319 HA2 GLY 46 1HA GLY 46 4.705 29.402 9.545
320 HA3 GLY 46 2HA GLY 46 5.371 30.248 8.156
Start of MODEL 4
1 H1 GLY 1 H GLY 1 12.909 -7.905 6.101
2 HA2 GLY 1 1HA GLY 1 13.202 -9.707 7.593
3 HA3 GLY 1 2HA GLY 1 13.936 -8.603 8.746
4 H SER 2 H SER 2 11.133 -10.275 7.882
5 HA SER 2 HA SER 2 9.722 -9.171 10.163
6 HB2 SER 2 1HB SER 2 7.638 -8.792 8.825
7 HB3 SER 2 2HB SER 2 8.943 -7.673 8.435
8 HG SER 2 HG SER 2 7.662 -8.968 6.700
9 H SER 3 H SER 3 7.455 -10.338 10.270
10 HA SER 3 HA SER 3 8.039 -13.193 9.961
11 HB2 SER 3 1HB SER 3 7.412 -12.213 12.217
12 HB3 SER 3 2HB SER 3 5.794 -11.956 11.563
13 HG SER 3 HG SER 3 5.422 -13.961 12.021
14 H GLY 4 H GLY 4 5.993 -14.575 9.616
15 HA2 GLY 4 1HA GLY 4 4.185 -13.294 7.677
16 HA3 GLY 4 2HA GLY 4 5.055 -14.751 7.220
17 H SER 5 H SER 5 2.276 -13.495 8.685
18 HA SER 5 HA SER 5 1.255 -16.170 9.133
19 HB2 SER 5 1HB SER 5 1.628 -14.178 11.365
20 HB3 SER 5 2HB SER 5 0.405 -15.445 11.450
21 HG SER 5 HG SER 5 1.940 -16.741 12.023
22 H SER 6 H SER 6 -0.675 -16.209 8.215
23 HA SER 6 HA SER 6 -2.060 -14.225 7.045
24 HB2 SER 6 1HB SER 6 -2.594 -16.777 7.244
25 HB3 SER 6 2HB SER 6 -3.643 -16.271 8.569
26 HG SER 6 HG SER 6 -3.834 -14.863 6.173
27 H GLY 7 H GLY 7 -3.858 -12.888 7.569
28 HA2 GLY 7 1HA GLY 7 -4.791 -12.571 10.242
29 HA3 GLY 7 2HA GLY 7 -3.596 -11.345 9.847
30 H THR 8 H THR 8 -4.072 -10.483 7.439
31 HA THR 8 HA THR 8 -6.931 -9.762 7.388
32 HB THR 8 HB THR 8 -6.239 -7.562 6.441
33 HG1 THR 8 HG1 THR 8 -3.717 -8.725 6.810
34 HG21 THR 8 3HG2 THR 8 -6.320 -6.727 8.513
35 HG22 THR 8 1HG2 THR 8 -4.774 -7.456 8.944
36 HG23 THR 8 2HG2 THR 8 -6.262 -8.392 9.090
37 H GLY 9 H GLY 9 -6.409 -11.909 5.970
38 HA2 GLY 9 1HA GLY 9 -6.168 -12.837 3.858
39 HA3 GLY 9 2HA GLY 9 -7.282 -11.540 3.452
40 H GLU 10 H GLU 10 -6.547 -10.983 1.465
41 HA GLU 10 HA GLU 10 -3.758 -10.046 1.310
42 HB2 GLU 10 1HB GLU 10 -5.387 -11.663 -0.590
43 HB3 GLU 10 2HB GLU 10 -4.249 -10.505 -1.264
44 HG2 GLU 10 1HG GLU 10 -3.260 -12.714 -1.094
45 HG3 GLU 10 2HG GLU 10 -2.427 -11.563 -0.050
46 H LYS 11 H LYS 11 -5.539 -8.272 2.222
47 HA LYS 11 HA LYS 11 -7.118 -6.786 0.571
48 HB2 LYS 11 1HB LYS 11 -5.384 -6.101 2.895
49 HB3 LYS 11 2HB LYS 11 -6.061 -4.774 1.960
50 HG2 LYS 11 1HG LYS 11 -7.345 -5.641 4.017
51 HG3 LYS 11 2HG LYS 11 -8.238 -5.307 2.532
52 HD2 LYS 11 1HD LYS 11 -8.289 -7.641 1.969
53 HD3 LYS 11 2HD LYS 11 -7.215 -8.035 3.314
54 HE2 LYS 11 1HE LYS 11 -9.761 -6.623 3.917
55 HE3 LYS 11 2HE LYS 11 -9.843 -8.330 3.483
56 HZ1 LYS 11 3HZ LYS 11 -9.648 -7.941 5.893
57 HZ2 LYS 11 1HZ LYS 11 -8.133 -7.231 5.646
58 HZ3 LYS 11 2HZ LYS 11 -8.371 -8.864 5.278
59 HA PRO 12 HA PRO 12 -4.600 -5.086 -2.608
60 HB2 PRO 12 1HB PRO 12 -6.036 -2.857 -3.189
61 HB3 PRO 12 2HB PRO 12 -6.561 -4.482 -3.642
62 HG2 PRO 12 1HG PRO 12 -7.416 -2.793 -1.324
63 HG3 PRO 12 2HG PRO 12 -8.405 -3.790 -2.406
64 HD2 PRO 12 1HD PRO 12 -7.669 -4.613 0.067
65 HD3 PRO 12 2HD PRO 12 -7.887 -5.738 -1.289
66 H TYR 13 H TYR 13 -4.942 -3.683 0.420
67 HA TYR 13 HA TYR 13 -2.967 -1.594 -0.233
68 HB2 TYR 13 1HB TYR 13 -5.015 -1.574 1.995
69 HB3 TYR 13 2HB TYR 13 -3.834 -0.309 1.671
70 HD1 TYR 13 HD1 TYR 13 -4.091 1.168 -0.261
71 HD2 TYR 13 HD2 TYR 13 -6.990 -1.818 0.625
72 HE1 TYR 13 HE1 TYR 13 -5.681 2.268 -1.781
73 HE2 TYR 13 HE2 TYR 13 -8.587 -0.727 -0.893
74 HH TYR 13 HH TYR 13 -7.709 2.220 -2.676
75 H LYS 14 H LYS 14 -1.052 -2.466 0.286
76 HA LYS 14 HA LYS 14 -0.662 -3.316 3.060
77 HB2 LYS 14 1HB LYS 14 -0.842 -5.434 2.081
78 HB3 LYS 14 2HB LYS 14 -0.033 -4.926 0.605
79 HG2 LYS 14 1HG LYS 14 2.080 -4.741 1.869
80 HG3 LYS 14 2HG LYS 14 1.246 -5.359 3.297
81 HD2 LYS 14 1HD LYS 14 0.909 -7.469 2.319
82 HD3 LYS 14 2HD LYS 14 1.267 -6.868 0.698
83 HE2 LYS 14 1HE LYS 14 3.589 -6.594 1.257
84 HE3 LYS 14 2HE LYS 14 3.274 -6.996 2.944
85 HZ1 LYS 14 3HZ LYS 14 3.984 -8.737 0.937
86 HZ2 LYS 14 1HZ LYS 14 2.345 -9.049 1.217
87 HZ3 LYS 14 2HZ LYS 14 3.454 -9.145 2.491
88 H CYS 15 H CYS 15 1.095 -2.431 3.946
89 HA CYS 15 HA CYS 15 2.611 -0.480 2.683
90 HB2 CYS 15 1HB CYS 15 2.329 -0.969 5.197
91 HB3 CYS 15 2HB CYS 15 3.667 -2.096 4.994
92 H ASN 16 H ASN 16 4.383 -0.477 1.438
93 HA ASN 16 HA ASN 16 5.566 -3.070 0.758
94 HB2 ASN 16 1HB ASN 16 5.260 -0.470 -0.670
95 HB3 ASN 16 2HB ASN 16 6.645 -1.477 -1.079
96 HD21 ASN 16 1HD2 ASN 16 3.917 -0.696 -2.321
97 HD22 ASN 16 2HD2 ASN 16 3.337 -2.200 -2.943
98 H GLU 17 H GLU 17 6.150 -1.093 3.090
99 HA GLU 17 HA GLU 17 9.050 -0.870 2.645
100 HB2 GLU 17 1HB GLU 17 7.215 0.625 4.518
101 HB3 GLU 17 2HB GLU 17 8.968 0.737 4.586
102 HG2 GLU 17 1HG GLU 17 7.597 1.278 2.003
103 HG3 GLU 17 2HG GLU 17 7.543 2.499 3.274
104 H CYS 18 H CYS 18 6.578 -1.965 4.908
105 HA CYS 18 HA CYS 18 8.661 -3.476 6.348
106 HB2 CYS 18 1HB CYS 18 7.135 -3.400 8.318
107 HB3 CYS 18 2HB CYS 18 7.710 -1.813 7.818
108 H GLY 19 H GLY 19 5.349 -3.510 5.116
109 HA2 GLY 19 1HA GLY 19 4.812 -5.638 3.905
110 HA3 GLY 19 2HA GLY 19 5.384 -6.456 5.351
111 H LYS 20 H LYS 20 4.088 -4.197 6.948
112 HA LYS 20 HA LYS 20 1.836 -5.467 7.825
113 HB2 LYS 20 1HB LYS 20 2.732 -2.631 7.848
114 HB3 LYS 20 2HB LYS 20 1.058 -2.950 8.281
115 HG2 LYS 20 1HG LYS 20 2.088 -4.717 9.885
116 HG3 LYS 20 2HG LYS 20 3.564 -3.772 9.676
117 HD2 LYS 20 1HD LYS 20 2.590 -2.802 11.547
118 HD3 LYS 20 2HD LYS 20 2.059 -1.743 10.238
119 HE2 LYS 20 1HE LYS 20 0.112 -2.100 11.456
120 HE3 LYS 20 2HE LYS 20 -0.015 -3.269 10.143
121 HZ1 LYS 20 3HZ LYS 20 -0.118 -4.899 11.617
122 HZ2 LYS 20 1HZ LYS 20 -0.096 -3.767 12.874
123 HZ3 LYS 20 2HZ LYS 20 1.353 -4.435 12.312
124 H VAL 21 H VAL 21 -0.377 -5.348 7.414
125 HA VAL 21 HA VAL 21 -1.102 -4.225 4.785
126 HB VAL 21 HB VAL 21 -2.461 -6.605 6.033
127 HG11 VAL 21 1HG1 VAL 21 -2.967 -6.986 3.544
128 HG12 VAL 21 2HG1 VAL 21 -3.829 -5.690 4.376
129 HG13 VAL 21 3HG1 VAL 21 -2.463 -5.311 3.327
130 HG21 VAL 21 3HG2 VAL 21 0.073 -6.869 5.550
131 HG22 VAL 21 1HG2 VAL 21 -1.047 -8.095 4.957
132 HG23 VAL 21 2HG2 VAL 21 -0.421 -6.867 3.857
133 H PHE 22 H PHE 22 -3.175 -3.323 4.560
134 HA PHE 22 HA PHE 22 -4.753 -2.972 6.999
135 HB2 PHE 22 1HB PHE 22 -4.091 -0.615 5.240
136 HB3 PHE 22 2HB PHE 22 -4.838 -0.607 6.834
137 HD1 PHE 22 HD1 PHE 22 -1.689 -1.820 5.236
138 HD2 PHE 22 HD2 PHE 22 -3.522 0.074 8.577
139 HE1 PHE 22 HE1 PHE 22 0.524 -1.498 6.263
140 HE2 PHE 22 HE2 PHE 22 -1.313 0.399 9.610
141 HZ PHE 22 HZ PHE 22 0.714 -0.386 8.453
142 H ARG 23 H ARG 23 -6.941 -2.345 6.627
143 HA ARG 23 HA ARG 23 -8.037 -3.481 4.245
144 HB2 ARG 23 1HB ARG 23 -9.077 -3.518 6.568
145 HB3 ARG 23 2HB ARG 23 -9.526 -1.841 6.290
146 HG2 ARG 23 1HG ARG 23 -10.310 -3.972 4.344
147 HG3 ARG 23 2HG ARG 23 -11.248 -3.692 5.812
148 HD2 ARG 23 1HD ARG 23 -11.406 -1.281 5.133
149 HD3 ARG 23 2HD ARG 23 -10.677 -1.736 3.593
150 HE ARG 23 HE ARG 23 -12.975 -3.314 4.209
151 HH11 ARG 23 1HH1 ARG 23 -11.931 -0.241 2.951
152 HH12 ARG 23 2HH1 ARG 23 -13.361 0.004 2.003
153 HH21 ARG 23 1HH2 ARG 23 -14.861 -3.004 2.965
154 HH22 ARG 23 2HH2 ARG 23 -15.027 -1.568 2.013
155 H HIS 24 H HIS 24 -8.083 -0.188 5.611
156 HA HIS 24 HA HIS 24 -8.963 0.857 3.028
157 HB2 HIS 24 1HB HIS 24 -9.847 1.524 5.434
158 HB3 HIS 24 2HB HIS 24 -8.470 2.621 5.387
159 HD1 HIS 24 HD1 HIS 24 -8.926 4.824 4.361
160 HD2 HIS 24 HD2 HIS 24 -11.596 1.923 3.048
161 HE1 HIS 24 HE1 HIS 24 -10.573 6.038 2.898
162 H ASN 25 H ASN 25 -7.930 3.060 2.449
163 HA ASN 25 HA ASN 25 -5.069 2.596 2.238
164 HB2 ASN 25 1HB ASN 25 -6.268 3.187 0.205
165 HB3 ASN 25 2HB ASN 25 -6.861 4.668 0.952
166 HD21 ASN 25 1HD2 ASN 25 -5.944 6.075 -0.461
167 HD22 ASN 25 2HD2 ASN 25 -4.238 6.301 -0.617
168 H SER 26 H SER 26 -7.301 4.973 3.580
169 HA SER 26 HA SER 26 -5.545 6.990 4.275
170 HB2 SER 26 1HB SER 26 -7.867 7.386 4.582
171 HB3 SER 26 2HB SER 26 -8.043 5.985 5.638
172 HG SER 26 HG SER 26 -6.668 8.402 6.200
173 H TYR 27 H TYR 27 -6.117 3.906 5.838
174 HA TYR 27 HA TYR 27 -4.608 4.527 8.193
175 HB2 TYR 27 1HB TYR 27 -5.495 1.858 7.078
176 HB3 TYR 27 2HB TYR 27 -4.816 2.113 8.682
177 HD1 TYR 27 HD2 TYR 27 -6.159 4.436 9.700
178 HD2 TYR 27 HD1 TYR 27 -7.727 1.304 7.284
179 HE1 TYR 27 HE2 TYR 27 -8.409 4.889 10.584
180 HE2 TYR 27 HE1 TYR 27 -9.982 1.749 8.160
181 HH TYR 27 HH TYR 27 -11.199 3.731 9.186
182 H LEU 28 H LEU 28 -3.921 3.151 5.062
183 HA LEU 28 HA LEU 28 -1.366 2.075 5.752
184 HB2 LEU 28 1HB LEU 28 -2.534 1.160 3.879
185 HB3 LEU 28 2HB LEU 28 -2.652 2.743 3.113
186 HG LEU 28 HG LEU 28 -0.368 2.738 2.522
187 HD11 LEU 28 1HD1 LEU 28 -0.072 0.342 4.324
188 HD12 LEU 28 2HD1 LEU 28 0.600 1.952 4.580
189 HD13 LEU 28 3HD1 LEU 28 1.183 0.954 3.247
190 HD21 LEU 28 3HD2 LEU 28 -0.117 0.618 1.268
191 HD22 LEU 28 1HD2 LEU 28 -1.703 1.362 1.065
192 HD23 LEU 28 2HD2 LEU 28 -1.511 -0.026 2.137
193 H SER 29 H SER 29 -2.426 5.012 4.049
194 HA SER 29 HA SER 29 0.125 6.063 3.554
195 HB2 SER 29 1HB SER 29 -2.605 7.303 3.795
196 HB3 SER 29 2HB SER 29 -1.178 8.306 3.537
197 HG SER 29 HG SER 29 -1.632 6.079 1.886
198 H ARG 30 H ARG 30 -2.171 6.907 6.151
199 HA ARG 30 HA ARG 30 -0.559 8.668 7.550
200 HB2 ARG 30 1HB ARG 30 -2.082 8.504 9.291
201 HB3 ARG 30 2HB ARG 30 -3.039 7.974 7.915
202 HG2 ARG 30 1HG ARG 30 -2.703 5.656 8.535
203 HG3 ARG 30 2HG ARG 30 -1.665 6.147 9.874
204 HD2 ARG 30 1HD ARG 30 -4.562 6.924 9.568
205 HD3 ARG 30 2HD ARG 30 -3.981 5.592 10.566
206 HE ARG 30 HE ARG 30 -2.635 7.939 11.308
207 HH11 ARG 30 1HH1 ARG 30 -5.811 6.518 11.443
208 HH12 ARG 30 2HH1 ARG 30 -6.271 7.365 12.883
209 HH21 ARG 30 1HH2 ARG 30 -3.230 9.060 13.204
210 HH22 ARG 30 2HH2 ARG 30 -4.803 8.811 13.883
211 H HIS 31 H HIS 31 -0.382 5.220 7.339
212 HA HIS 31 HA HIS 31 1.238 4.868 9.688
213 HB2 HIS 31 1HB HIS 31 0.002 2.959 9.135
214 HB3 HIS 31 2HB HIS 31 0.392 3.087 7.422
215 HD1 HIS 31 HD1 HIS 31 2.047 2.179 10.707
216 HD2 HIS 31 HD2 HIS 31 2.525 1.586 6.623
217 HE1 HIS 31 HE1 HIS 31 3.919 0.515 10.484
218 H GLN 32 H GLN 32 1.821 4.926 6.188
219 HA GLN 32 HA GLN 32 4.492 4.308 6.099
220 HB2 GLN 32 1HB GLN 32 2.891 6.268 4.463
221 HB3 GLN 32 2HB GLN 32 4.573 5.900 4.105
222 HG2 GLN 32 1HG GLN 32 3.881 3.476 3.969
223 HG3 GLN 32 2HG GLN 32 2.214 4.046 4.015
224 HE21 GLN 32 1HE2 GLN 32 1.965 3.076 1.938
225 HE22 GLN 32 2HE2 GLN 32 2.515 3.895 0.520
226 H ARG 33 H ARG 33 3.031 7.037 7.542
227 HA ARG 33 HA ARG 33 4.927 9.026 7.333
228 HB2 ARG 33 1HB ARG 33 3.383 8.329 9.836
229 HB3 ARG 33 2HB ARG 33 4.082 9.893 9.438
230 HG2 ARG 33 1HG ARG 33 2.094 8.690 7.578
231 HG3 ARG 33 2HG ARG 33 1.534 9.424 9.082
232 HD2 ARG 33 1HD ARG 33 1.444 11.199 7.601
233 HD3 ARG 33 2HD ARG 33 3.016 11.424 8.367
234 HE ARG 33 HE ARG 33 3.991 11.092 6.333
235 HH11 ARG 33 1HH1 ARG 33 0.773 9.766 6.254
236 HH12 ARG 33 2HH1 ARG 33 0.831 9.387 4.564
237 HH21 ARG 33 1HH2 ARG 33 4.079 10.597 4.108
238 HH22 ARG 33 2HH2 ARG 33 2.712 9.859 3.345
239 H ILE 34 H ILE 34 4.883 6.255 9.532
240 HA ILE 34 HA ILE 34 7.195 7.000 10.995
241 HB ILE 34 HB ILE 34 7.196 4.758 11.880
242 HG12 ILE 34 1HG1 ILE 34 4.944 3.902 10.116
243 HG13 ILE 34 2HG1 ILE 34 6.577 3.855 9.460
244 HG21 ILE 34 1HG2 ILE 34 5.580 5.966 12.990
245 HG22 ILE 34 2HG2 ILE 34 4.563 6.125 11.558
246 HG23 ILE 34 3HG2 ILE 34 4.647 4.585 12.413
247 HD11 ILE 34 3HD1 ILE 34 6.764 2.657 11.967
248 HD12 ILE 34 1HD1 ILE 34 5.272 2.037 11.259
249 HD13 ILE 34 2HD1 ILE 34 6.799 1.863 10.392
250 H HIS 35 H HIS 35 6.752 5.681 7.876
251 HA HIS 35 HA HIS 35 9.380 4.459 7.742
252 HB2 HIS 35 1HB HIS 35 7.085 4.740 5.826
253 HB3 HIS 35 2HB HIS 35 8.673 4.247 5.248
254 HD1 HIS 35 HD1 HIS 35 9.636 1.994 6.371
255 HD2 HIS 35 HD2 HIS 35 5.581 2.731 6.894
256 HE1 HIS 35 HE1 HIS 35 8.637 -0.206 7.071
257 H THR 36 H THR 36 7.694 7.165 6.157
258 HA THR 36 HA THR 36 10.280 8.205 5.252
259 HB THR 36 HB THR 36 8.734 8.140 3.460
260 HG1 THR 36 HG1 THR 36 9.888 10.226 3.923
261 HG21 THR 36 3HG2 THR 36 6.612 7.866 4.313
262 HG22 THR 36 1HG2 THR 36 6.536 9.547 3.786
263 HG23 THR 36 2HG2 THR 36 6.799 9.168 5.488
264 H GLY 37 H GLY 37 11.145 10.065 6.003
265 HA2 GLY 37 1HA GLY 37 9.748 12.184 7.191
266 HA3 GLY 37 2HA GLY 37 10.296 11.115 8.474
267 H GLU 38 H GLU 38 12.516 10.894 8.878
268 HA GLU 38 HA GLU 38 14.197 12.936 7.577
269 HB2 GLU 38 1HB GLU 38 14.118 12.063 10.464
270 HB3 GLU 38 2HB GLU 38 15.443 12.997 9.785
271 HG2 GLU 38 1HG GLU 38 14.114 14.619 10.740
272 HG3 GLU 38 2HG GLU 38 13.608 14.650 9.051
273 H LYS 39 H LYS 39 16.048 12.264 6.693
274 HA LYS 39 HA LYS 39 16.898 9.495 7.229
275 HB2 LYS 39 1HB LYS 39 16.858 11.161 4.751
276 HB3 LYS 39 2HB LYS 39 18.120 9.948 4.923
277 HG2 LYS 39 1HG LYS 39 16.550 8.702 3.861
278 HG3 LYS 39 2HG LYS 39 16.058 8.409 5.531
279 HD2 LYS 39 1HD LYS 39 14.038 8.976 4.618
280 HD3 LYS 39 2HD LYS 39 14.603 10.573 5.114
281 HE2 LYS 39 1HE LYS 39 15.093 9.452 2.366
282 HE3 LYS 39 2HE LYS 39 13.650 10.381 2.771
283 HZ1 LYS 39 3HZ LYS 39 16.400 11.272 2.446
284 HZ2 LYS 39 1HZ LYS 39 15.523 12.007 3.692
285 HZ3 LYS 39 2HZ LYS 39 14.953 12.077 2.101
286 HA PRO 40 HA PRO 40 20.785 10.867 8.736
287 HB2 PRO 40 1HB PRO 40 22.443 8.922 7.818
288 HB3 PRO 40 2HB PRO 40 21.286 8.659 9.129
289 HG2 PRO 40 1HG PRO 40 21.055 7.954 6.229
290 HG3 PRO 40 2HG PRO 40 20.611 6.995 7.652
291 HD2 PRO 40 1HD PRO 40 18.786 8.356 6.187
292 HD3 PRO 40 2HD PRO 40 18.613 8.108 7.936
293 H SER 41 H SER 41 23.287 10.677 7.741
294 HA SER 41 HA SER 41 23.747 12.836 6.228
295 HB2 SER 41 1HB SER 41 25.232 10.208 5.999
296 HB3 SER 41 2HB SER 41 25.836 11.757 5.411
297 HG SER 41 HG SER 41 26.673 11.690 7.386
298 H GLY 42 H GLY 42 22.853 13.517 4.400
299 HA2 GLY 42 1HA GLY 42 23.223 12.497 1.904
300 HA3 GLY 42 2HA GLY 42 21.771 11.680 2.463
301 HA PRO 43 HA PRO 43 20.871 16.451 2.100
302 HB2 PRO 43 1HB PRO 43 22.506 17.760 0.374
303 HB3 PRO 43 2HB PRO 43 22.834 17.645 2.107
304 HG2 PRO 43 1HG PRO 43 23.972 16.037 -0.147
305 HG3 PRO 43 2HG PRO 43 24.797 16.730 1.262
306 HD2 PRO 43 1HD PRO 43 24.096 14.118 1.122
307 HD3 PRO 43 2HD PRO 43 24.128 15.018 2.652
308 H SER 44 H SER 44 21.396 14.031 -0.116
309 HA SER 44 HA SER 44 20.777 14.955 -2.604
310 HB2 SER 44 1HB SER 44 19.907 12.782 -3.117
311 HB3 SER 44 2HB SER 44 21.189 12.554 -1.927
312 HG SER 44 HG SER 44 19.319 11.351 -1.402
313 H SER 45 H SER 45 18.754 14.991 -3.818
314 HA SER 45 HA SER 45 16.836 16.667 -2.631
315 HB2 SER 45 1HB SER 45 15.581 16.422 -4.703
316 HB3 SER 45 2HB SER 45 17.299 16.576 -5.071
317 HG SER 45 HG SER 45 17.340 14.576 -5.781
318 H GLY 46 H GLY 46 14.707 16.305 -1.984
319 HA2 GLY 46 1HA GLY 46 12.900 14.506 -1.981
320 HA3 GLY 46 2HA GLY 46 14.142 13.507 -1.241
Start of MODEL 5
1 H1 GLY 1 H GLY 1 16.087 -23.940 5.053
2 HA2 GLY 1 1HA GLY 1 14.479 -22.857 6.318
3 HA3 GLY 1 2HA GLY 1 15.325 -21.437 5.722
4 H SER 2 H SER 2 12.390 -22.271 6.270
5 HA SER 2 HA SER 2 11.318 -21.328 3.691
6 HB2 SER 2 1HB SER 2 10.469 -23.524 4.075
7 HB3 SER 2 2HB SER 2 10.109 -23.164 5.763
8 HG SER 2 HG SER 2 8.890 -21.676 3.711
9 H SER 3 H SER 3 10.749 -19.267 3.775
10 HA SER 3 HA SER 3 10.176 -17.963 6.285
11 HB2 SER 3 1HB SER 3 10.043 -16.855 3.470
12 HB3 SER 3 2HB SER 3 10.039 -15.915 4.963
13 HG SER 3 HG SER 3 12.136 -16.580 5.359
14 H GLY 4 H GLY 4 8.386 -18.250 3.206
15 HA2 GLY 4 1HA GLY 4 5.983 -19.141 4.229
16 HA3 GLY 4 2HA GLY 4 5.926 -17.390 4.367
17 H SER 5 H SER 5 4.626 -19.598 2.603
18 HA SER 5 HA SER 5 5.195 -18.362 -0.004
19 HB2 SER 5 1HB SER 5 4.090 -21.058 0.767
20 HB3 SER 5 2HB SER 5 3.913 -20.421 -0.868
21 HG SER 5 HG SER 5 6.373 -20.064 -0.486
22 H SER 6 H SER 6 2.405 -19.791 1.704
23 HA SER 6 HA SER 6 0.739 -17.643 0.562
24 HB2 SER 6 1HB SER 6 0.133 -19.780 -0.426
25 HB3 SER 6 2HB SER 6 -0.023 -20.509 1.173
26 HG SER 6 HG SER 6 -1.534 -18.228 0.645
27 H GLY 7 H GLY 7 -0.060 -16.283 2.012
28 HA2 GLY 7 1HA GLY 7 -0.094 -17.086 4.834
29 HA3 GLY 7 2HA GLY 7 -0.164 -15.437 4.230
30 H THR 8 H THR 8 -1.913 -15.667 6.034
31 HA THR 8 HA THR 8 -4.437 -16.636 4.896
32 HB THR 8 HB THR 8 -3.787 -15.773 7.721
33 HG1 THR 8 HG1 THR 8 -4.202 -18.103 8.047
34 HG21 THR 8 3HG2 THR 8 -6.325 -16.390 6.344
35 HG22 THR 8 1HG2 THR 8 -6.021 -15.399 7.770
36 HG23 THR 8 2HG2 THR 8 -6.096 -17.155 7.916
37 H GLY 9 H GLY 9 -5.764 -15.233 3.959
38 HA2 GLY 9 1HA GLY 9 -6.890 -13.290 3.477
39 HA3 GLY 9 2HA GLY 9 -6.461 -12.736 5.089
40 H GLU 10 H GLU 10 -6.451 -11.545 2.248
41 HA GLU 10 HA GLU 10 -4.006 -10.038 2.637
42 HB2 GLU 10 1HB GLU 10 -3.592 -10.384 0.053
43 HB3 GLU 10 2HB GLU 10 -2.936 -11.505 1.237
44 HG2 GLU 10 1HG GLU 10 -4.686 -13.078 0.819
45 HG3 GLU 10 2HG GLU 10 -5.536 -11.928 -0.213
46 H LYS 11 H LYS 11 -4.456 -7.966 2.333
47 HA LYS 11 HA LYS 11 -6.873 -7.243 0.853
48 HB2 LYS 11 1HB LYS 11 -5.256 -5.970 3.003
49 HB3 LYS 11 2HB LYS 11 -6.111 -4.906 1.893
50 HG2 LYS 11 1HG LYS 11 -7.658 -5.155 3.562
51 HG3 LYS 11 2HG LYS 11 -8.151 -6.432 2.448
52 HD2 LYS 11 1HD LYS 11 -6.165 -7.100 4.559
53 HD3 LYS 11 2HD LYS 11 -7.849 -6.884 5.040
54 HE2 LYS 11 1HE LYS 11 -7.265 -8.594 2.678
55 HE3 LYS 11 2HE LYS 11 -6.903 -9.236 4.280
56 HZ1 LYS 11 3HZ LYS 11 -9.290 -8.481 4.814
57 HZ2 LYS 11 1HZ LYS 11 -9.067 -9.905 3.928
58 HZ3 LYS 11 2HZ LYS 11 -9.510 -8.477 3.137
59 HA PRO 12 HA PRO 12 -4.789 -5.488 -2.587
60 HB2 PRO 12 1HB PRO 12 -6.283 -3.278 -3.096
61 HB3 PRO 12 2HB PRO 12 -6.853 -4.920 -3.421
62 HG2 PRO 12 1HG PRO 12 -7.448 -3.134 -1.093
63 HG3 PRO 12 2HG PRO 12 -8.550 -4.171 -2.018
64 HD2 PRO 12 1HD PRO 12 -7.544 -4.895 0.390
65 HD3 PRO 12 2HD PRO 12 -7.909 -6.074 -0.886
66 H TYR 13 H TYR 13 -4.776 -3.978 0.403
67 HA TYR 13 HA TYR 13 -2.873 -1.937 -0.547
68 HB2 TYR 13 1HB TYR 13 -4.755 -1.774 1.816
69 HB3 TYR 13 2HB TYR 13 -3.543 -0.566 1.404
70 HD1 TYR 13 HD1 TYR 13 -3.826 0.851 -0.583
71 HD2 TYR 13 HD2 TYR 13 -6.818 -1.937 0.590
72 HE1 TYR 13 HE1 TYR 13 -5.446 1.983 -2.047
73 HE2 TYR 13 HE2 TYR 13 -8.446 -0.813 -0.872
74 HH TYR 13 HH TYR 13 -8.691 1.600 -1.838
75 H LYS 14 H LYS 14 -0.900 -2.674 -0.105
76 HA LYS 14 HA LYS 14 -0.356 -3.610 2.628
77 HB2 LYS 14 1HB LYS 14 -0.490 -5.495 0.912
78 HB3 LYS 14 2HB LYS 14 0.969 -4.816 0.203
79 HG2 LYS 14 1HG LYS 14 1.831 -5.002 2.697
80 HG3 LYS 14 2HG LYS 14 0.593 -6.259 2.766
81 HD2 LYS 14 1HD LYS 14 2.361 -7.516 2.054
82 HD3 LYS 14 2HD LYS 14 1.735 -6.991 0.489
83 HE2 LYS 14 1HE LYS 14 3.345 -5.079 0.584
84 HE3 LYS 14 2HE LYS 14 4.041 -5.809 2.030
85 HZ1 LYS 14 3HZ LYS 14 4.949 -6.295 -0.402
86 HZ2 LYS 14 1HZ LYS 14 3.794 -7.527 -0.308
87 HZ3 LYS 14 2HZ LYS 14 5.029 -7.437 0.844
88 H CYS 15 H CYS 15 1.332 -2.645 3.572
89 HA CYS 15 HA CYS 15 2.650 -0.480 2.333
90 HB2 CYS 15 1HB CYS 15 2.232 -0.856 4.828
91 HB3 CYS 15 2HB CYS 15 3.638 -1.915 4.794
92 H ASN 16 H ASN 16 4.301 -0.481 0.969
93 HA ASN 16 HA ASN 16 5.837 -2.917 0.567
94 HB2 ASN 16 1HB ASN 16 4.847 -1.314 -1.264
95 HB3 ASN 16 2HB ASN 16 6.319 -0.392 -0.971
96 HD21 ASN 16 1HD2 ASN 16 6.064 -1.270 -3.418
97 HD22 ASN 16 2HD2 ASN 16 7.073 -2.637 -3.733
98 H GLU 17 H GLU 17 6.098 -0.832 2.858
99 HA GLU 17 HA GLU 17 8.965 -0.267 2.558
100 HB2 GLU 17 1HB GLU 17 6.837 0.902 4.342
101 HB3 GLU 17 2HB GLU 17 8.550 1.178 4.629
102 HG2 GLU 17 1HG GLU 17 7.315 1.782 1.972
103 HG3 GLU 17 2HG GLU 17 7.221 2.929 3.307
104 H CYS 18 H CYS 18 6.602 -1.849 4.628
105 HA CYS 18 HA CYS 18 8.816 -3.245 5.970
106 HB2 CYS 18 1HB CYS 18 7.523 -3.206 8.075
107 HB3 CYS 18 2HB CYS 18 7.954 -1.588 7.532
108 H GLY 19 H GLY 19 5.349 -3.267 5.204
109 HA2 GLY 19 1HA GLY 19 4.855 -5.460 3.928
110 HA3 GLY 19 2HA GLY 19 5.362 -6.200 5.440
111 H LYS 20 H LYS 20 4.129 -3.944 6.971
112 HA LYS 20 HA LYS 20 1.832 -5.023 7.854
113 HB2 LYS 20 1HB LYS 20 2.741 -2.200 7.606
114 HB3 LYS 20 2HB LYS 20 1.062 -2.475 8.053
115 HG2 LYS 20 1HG LYS 20 3.163 -3.961 9.534
116 HG3 LYS 20 2HG LYS 20 2.963 -2.238 9.862
117 HD2 LYS 20 1HD LYS 20 0.623 -2.583 10.398
118 HD3 LYS 20 2HD LYS 20 0.754 -4.292 9.978
119 HE2 LYS 20 1HE LYS 20 0.995 -4.434 12.243
120 HE3 LYS 20 2HE LYS 20 2.683 -4.223 11.779
121 HZ1 LYS 20 3HZ LYS 20 0.868 -2.340 13.094
122 HZ2 LYS 20 1HZ LYS 20 2.049 -1.708 12.059
123 HZ3 LYS 20 2HZ LYS 20 2.505 -2.647 13.390
124 H VAL 21 H VAL 21 -0.435 -4.659 7.482
125 HA VAL 21 HA VAL 21 -1.123 -3.777 4.766
126 HB VAL 21 HB VAL 21 -2.538 -6.156 5.879
127 HG11 VAL 21 1HG1 VAL 21 -2.956 -6.652 3.589
128 HG12 VAL 21 2HG1 VAL 21 -3.254 -4.927 3.810
129 HG13 VAL 21 3HG1 VAL 21 -1.758 -5.475 3.052
130 HG21 VAL 21 3HG2 VAL 21 -0.832 -7.535 4.517
131 HG22 VAL 21 1HG2 VAL 21 0.231 -6.144 4.737
132 HG23 VAL 21 2HG2 VAL 21 -0.391 -7.011 6.142
133 H PHE 22 H PHE 22 -3.238 -2.995 4.506
134 HA PHE 22 HA PHE 22 -4.913 -2.790 6.890
135 HB2 PHE 22 1HB PHE 22 -4.218 -0.337 5.272
136 HB3 PHE 22 2HB PHE 22 -5.117 -0.410 6.784
137 HD1 PHE 22 HD1 PHE 22 -1.777 -1.362 5.421
138 HD2 PHE 22 HD2 PHE 22 -4.012 0.145 8.715
139 HE1 PHE 22 HE1 PHE 22 0.312 -1.009 6.673
140 HE2 PHE 22 HE2 PHE 22 -1.927 0.501 9.972
141 HZ PHE 22 HZ PHE 22 0.239 -0.075 8.950
142 H ARG 23 H ARG 23 -7.026 -1.587 6.273
143 HA ARG 23 HA ARG 23 -8.011 -2.861 3.842
144 HB2 ARG 23 1HB ARG 23 -9.430 -1.522 6.149
145 HB3 ARG 23 2HB ARG 23 -10.256 -2.175 4.741
146 HG2 ARG 23 1HG ARG 23 -10.456 -3.937 6.163
147 HG3 ARG 23 2HG ARG 23 -8.923 -4.352 5.394
148 HD2 ARG 23 1HD ARG 23 -7.675 -3.565 7.240
149 HD3 ARG 23 2HD ARG 23 -9.078 -2.756 7.937
150 HE ARG 23 HE ARG 23 -9.633 -5.492 7.762
151 HH11 ARG 23 1HH1 ARG 23 -7.529 -3.316 9.483
152 HH12 ARG 23 2HH1 ARG 23 -7.416 -4.326 10.886
153 HH21 ARG 23 1HH2 ARG 23 -9.492 -6.831 9.604
154 HH22 ARG 23 2HH2 ARG 23 -8.532 -6.326 10.953
155 H HIS 24 H HIS 24 -8.347 0.332 5.404
156 HA HIS 24 HA HIS 24 -8.980 1.512 2.809
157 HB2 HIS 24 1HB HIS 24 -10.220 1.981 5.055
158 HB3 HIS 24 2HB HIS 24 -8.861 3.052 5.383
159 HD1 HIS 24 HD1 HIS 24 -9.652 5.355 4.970
160 HD2 HIS 24 HD2 HIS 24 -11.014 2.712 2.068
161 HE1 HIS 24 HE1 HIS 24 -10.893 6.769 3.301
162 H ASN 25 H ASN 25 -7.665 2.866 1.714
163 HA ASN 25 HA ASN 25 -4.923 2.829 2.073
164 HB2 ASN 25 1HB ASN 25 -6.180 3.510 -0.009
165 HB3 ASN 25 2HB ASN 25 -6.437 5.081 0.744
166 HD21 ASN 25 1HD2 ASN 25 -5.267 5.501 -1.409
167 HD22 ASN 25 2HD2 ASN 25 -3.550 5.656 -1.300
168 H SER 26 H SER 26 -7.315 4.952 3.464
169 HA SER 26 HA SER 26 -5.738 7.085 4.280
170 HB2 SER 26 1HB SER 26 -8.225 6.964 4.477
171 HB3 SER 26 2HB SER 26 -8.026 5.870 5.846
172 HG SER 26 HG SER 26 -6.596 7.738 6.624
173 H TYR 27 H TYR 27 -6.370 4.012 5.937
174 HA TYR 27 HA TYR 27 -4.770 4.637 8.209
175 HB2 TYR 27 1HB TYR 27 -5.576 1.896 7.223
176 HB3 TYR 27 2HB TYR 27 -5.096 2.337 8.859
177 HD1 TYR 27 HD2 TYR 27 -6.609 4.578 9.621
178 HD2 TYR 27 HD1 TYR 27 -7.812 1.375 7.091
179 HE1 TYR 27 HE2 TYR 27 -8.960 5.014 10.196
180 HE2 TYR 27 HE1 TYR 27 -10.166 1.803 7.658
181 HH TYR 27 HH TYR 27 -11.563 2.941 8.987
182 H LEU 28 H LEU 28 -4.159 3.165 5.104
183 HA LEU 28 HA LEU 28 -1.644 2.013 5.742
184 HB2 LEU 28 1HB LEU 28 -2.725 1.164 3.842
185 HB3 LEU 28 2HB LEU 28 -2.997 2.773 3.175
186 HG LEU 28 HG LEU 28 -0.609 2.971 2.678
187 HD11 LEU 28 1HD1 LEU 28 -0.503 0.293 4.013
188 HD12 LEU 28 2HD1 LEU 28 0.502 1.715 4.288
189 HD13 LEU 28 3HD1 LEU 28 0.703 0.765 2.816
190 HD21 LEU 28 3HD2 LEU 28 -0.572 1.525 0.808
191 HD22 LEU 28 1HD2 LEU 28 -2.267 1.925 1.085
192 HD23 LEU 28 2HD2 LEU 28 -1.636 0.359 1.595
193 H SER 29 H SER 29 -2.632 5.133 4.411
194 HA SER 29 HA SER 29 -0.020 6.077 3.858
195 HB2 SER 29 1HB SER 29 -2.707 7.378 4.167
196 HB3 SER 29 2HB SER 29 -1.257 8.375 4.041
197 HG SER 29 HG SER 29 -0.871 7.563 2.031
198 H ARG 30 H ARG 30 -2.250 6.819 6.541
199 HA ARG 30 HA ARG 30 -0.551 8.433 8.024
200 HB2 ARG 30 1HB ARG 30 -2.094 8.277 9.723
201 HB3 ARG 30 2HB ARG 30 -3.070 7.748 8.359
202 HG2 ARG 30 1HG ARG 30 -2.712 5.427 8.972
203 HG3 ARG 30 2HG ARG 30 -1.673 5.927 10.308
204 HD2 ARG 30 1HD ARG 30 -3.593 7.158 11.278
205 HD3 ARG 30 2HD ARG 30 -4.611 6.526 9.984
206 HE ARG 30 HE ARG 30 -3.300 4.419 11.354
207 HH11 ARG 30 1HH1 ARG 30 -5.910 6.702 11.662
208 HH12 ARG 30 2HH1 ARG 30 -6.834 5.700 12.731
209 HH21 ARG 30 1HH2 ARG 30 -4.508 3.090 12.760
210 HH22 ARG 30 2HH2 ARG 30 -6.035 3.645 13.356
211 H HIS 31 H HIS 31 -0.388 5.062 7.460
212 HA HIS 31 HA HIS 31 1.229 4.498 9.801
213 HB2 HIS 31 1HB HIS 31 -0.062 2.645 9.286
214 HB3 HIS 31 2HB HIS 31 0.110 2.878 7.549
215 HD1 HIS 31 HD1 HIS 31 1.778 1.313 10.495
216 HD2 HIS 31 HD2 HIS 31 2.412 1.738 6.412
217 HE1 HIS 31 HE1 HIS 31 3.622 -0.300 9.930
218 H GLN 32 H GLN 32 1.703 4.315 6.270
219 HA GLN 32 HA GLN 32 4.317 3.682 6.073
220 HB2 GLN 32 1HB GLN 32 2.748 5.728 4.515
221 HB3 GLN 32 2HB GLN 32 4.401 5.301 4.093
222 HG2 GLN 32 1HG GLN 32 3.548 2.883 4.037
223 HG3 GLN 32 2HG GLN 32 1.939 3.603 3.994
224 HE21 GLN 32 1HE2 GLN 32 1.532 2.802 1.939
225 HE22 GLN 32 2HE2 GLN 32 2.280 3.460 0.528
226 H ARG 33 H ARG 33 3.031 6.602 7.408
227 HA ARG 33 HA ARG 33 5.117 8.384 7.185
228 HB2 ARG 33 1HB ARG 33 3.471 7.983 9.687
229 HB3 ARG 33 2HB ARG 33 4.273 9.460 9.170
230 HG2 ARG 33 1HG ARG 33 2.725 9.140 7.054
231 HG3 ARG 33 2HG ARG 33 1.749 8.232 8.211
232 HD2 ARG 33 1HD ARG 33 0.978 10.490 8.222
233 HD3 ARG 33 2HD ARG 33 1.849 10.212 9.729
234 HE ARG 33 HE ARG 33 3.536 11.303 7.705
235 HH11 ARG 33 1HH1 ARG 33 1.113 12.110 10.071
236 HH12 ARG 33 2HH1 ARG 33 1.652 13.746 10.256
237 HH21 ARG 33 1HH2 ARG 33 4.254 13.455 7.939
238 HH22 ARG 33 2HH2 ARG 33 3.438 14.511 9.041
239 H ILE 34 H ILE 34 4.711 5.787 9.563
240 HA ILE 34 HA ILE 34 6.810 6.268 11.257
241 HB ILE 34 HB ILE 34 6.895 3.905 11.736
242 HG12 ILE 34 1HG1 ILE 34 5.013 3.243 9.514
243 HG13 ILE 34 2HG1 ILE 34 6.723 3.418 9.133
244 HG21 ILE 34 1HG2 ILE 34 4.981 5.087 12.602
245 HG22 ILE 34 2HG2 ILE 34 4.102 4.840 11.094
246 HG23 ILE 34 3HG2 ILE 34 4.491 3.462 12.123
247 HD11 ILE 34 3HD1 ILE 34 7.267 1.486 10.122
248 HD12 ILE 34 1HD1 ILE 34 6.141 1.730 11.458
249 HD13 ILE 34 2HD1 ILE 34 5.556 1.115 9.912
250 H HIS 35 H HIS 35 6.958 5.440 7.933
251 HA HIS 35 HA HIS 35 9.768 4.646 8.106
252 HB2 HIS 35 1HB HIS 35 7.996 4.755 5.659
253 HB3 HIS 35 2HB HIS 35 9.568 3.972 5.794
254 HD1 HIS 35 HD1 HIS 35 9.370 2.187 8.120
255 HD2 HIS 35 HD2 HIS 35 6.130 2.816 5.597
256 HE1 HIS 35 HE1 HIS 35 7.869 0.196 8.444
257 H THR 36 H THR 36 7.817 6.856 6.093
258 HA THR 36 HA THR 36 10.111 8.707 6.085
259 HB THR 36 HB THR 36 10.022 7.922 3.869
260 HG1 THR 36 HG1 THR 36 8.373 10.245 3.833
261 HG21 THR 36 3HG2 THR 36 7.048 8.400 3.772
262 HG22 THR 36 1HG2 THR 36 7.760 6.834 4.157
263 HG23 THR 36 2HG2 THR 36 8.052 7.572 2.582
264 H GLY 37 H GLY 37 9.667 10.921 6.184
265 HA2 GLY 37 1HA GLY 37 6.938 11.862 6.313
266 HA3 GLY 37 2HA GLY 37 7.760 11.849 7.866
267 H GLU 38 H GLU 38 8.095 13.949 8.294
268 HA GLU 38 HA GLU 38 9.668 15.476 6.332
269 HB2 GLU 38 1HB GLU 38 7.183 16.130 6.518
270 HB3 GLU 38 2HB GLU 38 7.608 16.776 8.097
271 HG2 GLU 38 1HG GLU 38 9.156 17.598 5.682
272 HG3 GLU 38 2HG GLU 38 7.591 18.331 6.028
273 H LYS 39 H LYS 39 11.567 16.016 7.153
274 HA LYS 39 HA LYS 39 11.882 16.147 10.064
275 HB2 LYS 39 1HB LYS 39 13.436 14.649 9.046
276 HB3 LYS 39 2HB LYS 39 13.861 15.826 7.810
277 HG2 LYS 39 1HG LYS 39 14.643 17.255 9.850
278 HG3 LYS 39 2HG LYS 39 14.693 15.692 10.668
279 HD2 LYS 39 1HD LYS 39 15.981 15.979 7.991
280 HD3 LYS 39 2HD LYS 39 16.806 16.615 9.416
281 HE2 LYS 39 1HE LYS 39 17.647 14.483 9.356
282 HE3 LYS 39 2HE LYS 39 16.249 14.250 10.404
283 HZ1 LYS 39 3HZ LYS 39 16.762 13.210 7.766
284 HZ2 LYS 39 1HZ LYS 39 15.210 13.860 7.948
285 HZ3 LYS 39 2HZ LYS 39 15.736 12.627 8.979
286 HA PRO 40 HA PRO 40 12.216 20.537 10.025
287 HB2 PRO 40 1HB PRO 40 13.644 20.878 12.309
288 HB3 PRO 40 2HB PRO 40 11.934 20.428 12.303
289 HG2 PRO 40 1HG PRO 40 14.349 18.692 12.650
290 HG3 PRO 40 2HG PRO 40 12.813 18.664 13.537
291 HD2 PRO 40 1HD PRO 40 13.380 16.915 11.549
292 HD3 PRO 40 2HD PRO 40 11.731 17.486 11.877
293 H SER 41 H SER 41 13.497 21.168 8.338
294 HA SER 41 HA SER 41 16.237 21.816 8.945
295 HB2 SER 41 1HB SER 41 17.267 20.583 7.143
296 HB3 SER 41 2HB SER 41 16.364 19.444 8.142
297 HG SER 41 HG SER 41 14.771 19.369 6.602
298 H GLY 42 H GLY 42 16.445 23.829 8.243
299 HA2 GLY 42 1HA GLY 42 16.661 25.329 6.362
300 HA3 GLY 42 2HA GLY 42 15.280 24.530 5.627
301 HA PRO 43 HA PRO 43 13.720 28.453 7.465
302 HB2 PRO 43 1HB PRO 43 12.037 29.002 5.406
303 HB3 PRO 43 2HB PRO 43 13.745 29.459 5.400
304 HG2 PRO 43 1HG PRO 43 12.406 27.119 4.099
305 HG3 PRO 43 2HG PRO 43 13.656 28.196 3.449
306 HD2 PRO 43 1HD PRO 43 14.220 25.739 4.436
307 HD3 PRO 43 2HD PRO 43 15.354 27.099 4.556
308 H SER 44 H SER 44 12.524 27.584 9.118
309 HA SER 44 HA SER 44 9.887 26.490 8.384
310 HB2 SER 44 1HB SER 44 11.207 24.706 9.342
311 HB3 SER 44 2HB SER 44 11.667 25.722 10.708
312 HG SER 44 HG SER 44 9.467 24.201 10.384
313 H SER 45 H SER 45 8.858 28.486 8.516
314 HA SER 45 HA SER 45 9.074 30.490 10.325
315 HB2 SER 45 1HB SER 45 6.749 31.040 9.903
316 HB3 SER 45 2HB SER 45 7.475 30.443 8.411
317 HG SER 45 HG SER 45 6.164 28.797 8.441
318 H GLY 46 H GLY 46 7.235 27.488 10.786
319 HA2 GLY 46 1HA GLY 46 7.712 26.900 13.339
320 HA3 GLY 46 2HA GLY 46 6.591 28.241 13.526
Start of MODEL 6
1 H1 GLY 1 H GLY 1 10.913 -23.530 17.221
2 HA2 GLY 1 1HA GLY 1 9.949 -21.520 19.084
3 HA3 GLY 1 2HA GLY 1 10.786 -20.893 17.671
4 H SER 2 H SER 2 8.352 -20.003 17.843
5 HA SER 2 HA SER 2 7.026 -21.124 15.572
6 HB2 SER 2 1HB SER 2 6.218 -22.686 17.289
7 HB3 SER 2 2HB SER 2 5.637 -21.331 18.256
8 HG SER 2 HG SER 2 3.872 -21.841 17.155
9 H SER 3 H SER 3 5.733 -19.646 14.587
10 HA SER 3 HA SER 3 5.501 -17.036 15.920
11 HB2 SER 3 1HB SER 3 5.390 -16.048 13.718
12 HB3 SER 3 2HB SER 3 6.768 -17.147 13.761
13 HG SER 3 HG SER 3 5.827 -18.386 12.332
14 H GLY 4 H GLY 4 3.554 -15.725 15.167
15 HA2 GLY 4 1HA GLY 4 1.187 -17.386 15.581
16 HA3 GLY 4 2HA GLY 4 1.266 -15.636 15.719
17 H SER 5 H SER 5 -0.819 -16.822 14.392
18 HA SER 5 HA SER 5 -0.224 -16.680 11.540
19 HB2 SER 5 1HB SER 5 -2.621 -17.561 13.133
20 HB3 SER 5 2HB SER 5 -2.740 -17.264 11.399
21 HG SER 5 HG SER 5 -0.641 -18.867 12.282
22 H SER 6 H SER 6 0.219 -14.441 11.391
23 HA SER 6 HA SER 6 -1.922 -12.577 12.041
24 HB2 SER 6 1HB SER 6 0.941 -12.274 11.181
25 HB3 SER 6 2HB SER 6 -0.171 -10.910 11.074
26 HG SER 6 HG SER 6 -0.267 -10.794 13.204
27 H GLY 7 H GLY 7 -0.250 -13.894 9.230
28 HA2 GLY 7 1HA GLY 7 -1.383 -14.247 7.159
29 HA3 GLY 7 2HA GLY 7 -2.460 -12.916 7.558
30 H THR 8 H THR 8 -0.748 -13.493 5.171
31 HA THR 8 HA THR 8 0.474 -10.837 5.022
32 HB THR 8 HB THR 8 2.448 -11.778 3.822
33 HG1 THR 8 HG1 THR 8 1.142 -13.931 3.656
34 HG21 THR 8 3HG2 THR 8 2.832 -13.165 6.313
35 HG22 THR 8 1HG2 THR 8 1.955 -11.659 6.583
36 HG23 THR 8 2HG2 THR 8 3.521 -11.635 5.771
37 H GLY 9 H GLY 9 -0.672 -9.901 3.451
38 HA2 GLY 9 1HA GLY 9 -1.177 -9.490 1.204
39 HA3 GLY 9 2HA GLY 9 -0.686 -11.133 0.817
40 H GLU 10 H GLU 10 -3.193 -9.532 2.791
41 HA GLU 10 HA GLU 10 -5.152 -11.370 1.579
42 HB2 GLU 10 1HB GLU 10 -5.018 -10.345 4.417
43 HB3 GLU 10 2HB GLU 10 -6.425 -11.155 3.742
44 HG2 GLU 10 1HG GLU 10 -4.843 -13.080 3.203
45 HG3 GLU 10 2HG GLU 10 -3.702 -12.281 4.283
46 H LYS 11 H LYS 11 -4.161 -8.230 1.803
47 HA LYS 11 HA LYS 11 -6.840 -7.247 1.089
48 HB2 LYS 11 1HB LYS 11 -4.868 -5.521 2.559
49 HB3 LYS 11 2HB LYS 11 -6.601 -5.292 2.366
50 HG2 LYS 11 1HG LYS 11 -5.373 -7.520 3.971
51 HG3 LYS 11 2HG LYS 11 -5.888 -5.974 4.651
52 HD2 LYS 11 1HD LYS 11 -7.716 -7.800 3.099
53 HD3 LYS 11 2HD LYS 11 -7.552 -7.851 4.856
54 HE2 LYS 11 1HE LYS 11 -9.360 -6.453 4.623
55 HE3 LYS 11 2HE LYS 11 -8.040 -5.286 4.674
56 HZ1 LYS 11 3HZ LYS 11 -9.925 -5.679 2.644
57 HZ2 LYS 11 1HZ LYS 11 -8.406 -6.080 2.017
58 HZ3 LYS 11 2HZ LYS 11 -8.664 -4.553 2.697
59 HA PRO 12 HA PRO 12 -4.965 -5.569 -2.510
60 HB2 PRO 12 1HB PRO 12 -6.533 -3.395 -2.939
61 HB3 PRO 12 2HB PRO 12 -7.087 -5.049 -3.222
62 HG2 PRO 12 1HG PRO 12 -7.580 -3.263 -0.871
63 HG3 PRO 12 2HG PRO 12 -8.712 -4.328 -1.723
64 HD2 PRO 12 1HD PRO 12 -7.549 -5.017 0.623
65 HD3 PRO 12 2HD PRO 12 -7.965 -6.211 -0.623
66 H TYR 13 H TYR 13 -5.049 -3.831 0.435
67 HA TYR 13 HA TYR 13 -3.126 -1.864 -0.622
68 HB2 TYR 13 1HB TYR 13 -4.993 -1.624 1.745
69 HB3 TYR 13 2HB TYR 13 -3.790 -0.423 1.289
70 HD1 TYR 13 HD1 TYR 13 -4.090 0.933 -0.730
71 HD2 TYR 13 HD2 TYR 13 -7.049 -1.861 0.510
72 HE1 TYR 13 HE1 TYR 13 -5.718 2.001 -2.233
73 HE2 TYR 13 HE2 TYR 13 -8.686 -0.802 -0.990
74 HH TYR 13 HH TYR 13 -8.768 0.584 -2.941
75 H LYS 14 H LYS 14 -1.195 -2.822 -0.254
76 HA LYS 14 HA LYS 14 -0.615 -3.654 2.514
77 HB2 LYS 14 1HB LYS 14 -0.436 -5.603 1.197
78 HB3 LYS 14 2HB LYS 14 0.362 -4.745 -0.115
79 HG2 LYS 14 1HG LYS 14 2.296 -4.383 1.467
80 HG3 LYS 14 2HG LYS 14 1.507 -5.535 2.547
81 HD2 LYS 14 1HD LYS 14 1.494 -7.157 0.614
82 HD3 LYS 14 2HD LYS 14 2.537 -6.019 -0.243
83 HE2 LYS 14 1HE LYS 14 4.126 -6.159 1.684
84 HE3 LYS 14 2HE LYS 14 3.120 -7.446 2.348
85 HZ1 LYS 14 3HZ LYS 14 3.595 -8.181 -0.251
86 HZ2 LYS 14 1HZ LYS 14 4.326 -8.832 1.129
87 HZ3 LYS 14 2HZ LYS 14 5.080 -7.574 0.287
88 H CYS 15 H CYS 15 1.385 -3.074 3.407
89 HA CYS 15 HA CYS 15 2.445 -0.588 2.402
90 HB2 CYS 15 1HB CYS 15 2.052 -1.197 4.863
91 HB3 CYS 15 2HB CYS 15 3.525 -2.154 4.739
92 H ASN 16 H ASN 16 4.006 -0.475 0.943
93 HA ASN 16 HA ASN 16 5.687 -2.776 0.405
94 HB2 ASN 16 1HB ASN 16 5.135 -0.175 -0.965
95 HB3 ASN 16 2HB ASN 16 6.619 -1.040 -1.353
96 HD21 ASN 16 1HD2 ASN 16 3.992 -0.462 -2.778
97 HD22 ASN 16 2HD2 ASN 16 3.526 -2.000 -3.414
98 H GLU 17 H GLU 17 5.874 -0.825 2.817
99 HA GLU 17 HA GLU 17 8.730 -0.175 2.529
100 HB2 GLU 17 1HB GLU 17 6.536 1.023 4.195
101 HB3 GLU 17 2HB GLU 17 8.223 1.247 4.636
102 HG2 GLU 17 1HG GLU 17 8.529 2.083 2.229
103 HG3 GLU 17 2HG GLU 17 6.772 2.221 2.209
104 H CYS 18 H CYS 18 6.348 -1.792 4.538
105 HA CYS 18 HA CYS 18 8.549 -3.131 5.956
106 HB2 CYS 18 1HB CYS 18 7.289 -3.073 8.033
107 HB3 CYS 18 2HB CYS 18 7.513 -1.433 7.431
108 H GLY 19 H GLY 19 5.147 -3.236 4.977
109 HA2 GLY 19 1HA GLY 19 4.699 -5.412 3.721
110 HA3 GLY 19 2HA GLY 19 5.238 -6.176 5.210
111 H LYS 20 H LYS 20 3.975 -4.234 6.952
112 HA LYS 20 HA LYS 20 1.664 -5.400 7.658
113 HB2 LYS 20 1HB LYS 20 2.602 -2.582 7.824
114 HB3 LYS 20 2HB LYS 20 0.915 -2.895 8.210
115 HG2 LYS 20 1HG LYS 20 1.683 -4.601 9.857
116 HG3 LYS 20 2HG LYS 20 3.339 -4.074 9.546
117 HD2 LYS 20 1HD LYS 20 2.376 -1.705 10.087
118 HD3 LYS 20 2HD LYS 20 1.102 -2.621 10.895
119 HE2 LYS 20 1HE LYS 20 3.052 -3.878 12.033
120 HE3 LYS 20 2HE LYS 20 4.033 -2.510 11.510
121 HZ1 LYS 20 3HZ LYS 20 3.377 -1.657 13.465
122 HZ2 LYS 20 1HZ LYS 20 2.016 -2.654 13.585
123 HZ3 LYS 20 2HZ LYS 20 1.961 -1.259 12.630
124 H VAL 21 H VAL 21 -0.479 -5.397 7.106
125 HA VAL 21 HA VAL 21 -1.170 -4.038 4.581
126 HB VAL 21 HB VAL 21 -2.609 -6.496 5.505
127 HG11 VAL 21 1HG1 VAL 21 -3.368 -6.634 3.343
128 HG12 VAL 21 2HG1 VAL 21 -3.206 -4.886 3.521
129 HG13 VAL 21 3HG1 VAL 21 -1.959 -5.807 2.679
130 HG21 VAL 21 3HG2 VAL 21 -0.409 -7.315 5.577
131 HG22 VAL 21 1HG2 VAL 21 -1.007 -7.768 3.981
132 HG23 VAL 21 2HG2 VAL 21 0.075 -6.386 4.158
133 H PHE 22 H PHE 22 -3.176 -3.061 4.404
134 HA PHE 22 HA PHE 22 -4.817 -2.963 6.842
135 HB2 PHE 22 1HB PHE 22 -4.233 -0.549 5.124
136 HB3 PHE 22 2HB PHE 22 -5.074 -0.586 6.670
137 HD1 PHE 22 HD1 PHE 22 -1.775 -1.532 5.209
138 HD2 PHE 22 HD2 PHE 22 -3.907 0.031 8.545
139 HE1 PHE 22 HE1 PHE 22 0.354 -1.118 6.371
140 HE2 PHE 22 HE2 PHE 22 -1.781 0.449 9.712
141 HZ PHE 22 HZ PHE 22 0.353 -0.125 8.625
142 H ARG 23 H ARG 23 -6.992 -1.869 6.342
143 HA ARG 23 HA ARG 23 -8.095 -3.211 4.009
144 HB2 ARG 23 1HB ARG 23 -9.125 -3.297 6.340
145 HB3 ARG 23 2HB ARG 23 -9.617 -1.630 6.076
146 HG2 ARG 23 1HG ARG 23 -10.718 -2.528 3.926
147 HG3 ARG 23 2HG ARG 23 -10.547 -4.109 4.690
148 HD2 ARG 23 1HD ARG 23 -11.631 -2.824 6.736
149 HD3 ARG 23 2HD ARG 23 -12.261 -1.802 5.445
150 HE ARG 23 HE ARG 23 -13.741 -3.459 4.961
151 HH11 ARG 23 1HH1 ARG 23 -11.013 -4.871 6.599
152 HH12 ARG 23 2HH1 ARG 23 -11.698 -6.461 6.646
153 HH21 ARG 23 1HH2 ARG 23 -14.654 -5.549 5.017
154 HH22 ARG 23 2HH2 ARG 23 -13.769 -6.846 5.745
155 H HIS 24 H HIS 24 -7.738 0.052 5.308
156 HA HIS 24 HA HIS 24 -8.675 1.113 2.723
157 HB2 HIS 24 1HB HIS 24 -9.874 1.658 5.022
158 HB3 HIS 24 2HB HIS 24 -8.573 2.837 5.159
159 HD1 HIS 24 HD1 HIS 24 -8.831 4.974 3.875
160 HD2 HIS 24 HD2 HIS 24 -11.572 2.076 2.713
161 HE1 HIS 24 HE1 HIS 24 -10.425 6.141 2.318
162 H ASN 25 H ASN 25 -7.533 2.843 1.787
163 HA ASN 25 HA ASN 25 -4.726 2.715 2.072
164 HB2 ASN 25 1HB ASN 25 -4.697 4.620 0.481
165 HB3 ASN 25 2HB ASN 25 -5.736 3.303 -0.057
166 HD21 ASN 25 1HD2 ASN 25 -5.590 6.568 1.057
167 HD22 ASN 25 2HD2 ASN 25 -7.241 6.971 0.745
168 H SER 26 H SER 26 -7.084 5.211 2.993
169 HA SER 26 HA SER 26 -5.586 7.232 3.916
170 HB2 SER 26 1HB SER 26 -7.949 5.965 5.314
171 HB3 SER 26 2HB SER 26 -7.267 7.526 5.769
172 HG SER 26 HG SER 26 -7.666 8.155 3.533
173 H TYR 27 H TYR 27 -6.416 4.454 5.998
174 HA TYR 27 HA TYR 27 -4.769 5.117 8.136
175 HB2 TYR 27 1HB TYR 27 -5.350 2.285 7.274
176 HB3 TYR 27 2HB TYR 27 -5.066 2.881 8.906
177 HD1 TYR 27 HD2 TYR 27 -6.798 4.873 9.557
178 HD2 TYR 27 HD1 TYR 27 -7.526 1.746 6.765
179 HE1 TYR 27 HE2 TYR 27 -9.220 5.159 9.877
180 HE2 TYR 27 HE1 TYR 27 -9.950 2.024 7.076
181 HH TYR 27 HH TYR 27 -11.521 3.784 7.816
182 H LEU 28 H LEU 28 -4.078 2.953 5.396
183 HA LEU 28 HA LEU 28 -1.552 2.115 6.033
184 HB2 LEU 28 1HB LEU 28 -2.503 1.207 4.107
185 HB3 LEU 28 2HB LEU 28 -2.827 2.792 3.408
186 HG LEU 28 HG LEU 28 -0.373 3.072 3.072
187 HD11 LEU 28 1HD1 LEU 28 0.438 1.546 4.764
188 HD12 LEU 28 2HD1 LEU 28 1.033 1.057 3.178
189 HD13 LEU 28 3HD1 LEU 28 -0.303 0.182 3.927
190 HD21 LEU 28 3HD2 LEU 28 -1.462 2.477 1.128
191 HD22 LEU 28 1HD2 LEU 28 -1.954 0.905 1.758
192 HD23 LEU 28 2HD2 LEU 28 -0.277 1.180 1.286
193 H SER 29 H SER 29 -2.311 5.026 4.113
194 HA SER 29 HA SER 29 0.255 6.007 3.827
195 HB2 SER 29 1HB SER 29 -2.443 7.305 3.923
196 HB3 SER 29 2HB SER 29 -1.001 8.319 3.878
197 HG SER 29 HG SER 29 -0.868 7.902 1.834
198 H ARG 30 H ARG 30 -2.079 6.816 6.395
199 HA ARG 30 HA ARG 30 -0.470 8.528 7.870
200 HB2 ARG 30 1HB ARG 30 -2.618 6.619 8.802
201 HB3 ARG 30 2HB ARG 30 -1.897 7.856 9.822
202 HG2 ARG 30 1HG ARG 30 -2.653 9.538 8.094
203 HG3 ARG 30 2HG ARG 30 -3.598 8.231 7.377
204 HD2 ARG 30 1HD ARG 30 -5.173 9.111 8.772
205 HD3 ARG 30 2HD ARG 30 -4.429 7.948 9.869
206 HE ARG 30 HE ARG 30 -3.003 10.236 10.254
207 HH11 ARG 30 1HH1 ARG 30 -6.381 9.407 10.387
208 HH12 ARG 30 2HH1 ARG 30 -6.759 10.592 11.593
209 HH21 ARG 30 1HH2 ARG 30 -3.487 11.800 11.843
210 HH22 ARG 30 2HH2 ARG 30 -5.112 11.953 12.420
211 H HIS 31 H HIS 31 -0.357 5.081 7.577
212 HA HIS 31 HA HIS 31 1.258 4.686 9.938
213 HB2 HIS 31 1HB HIS 31 0.032 2.779 9.541
214 HB3 HIS 31 2HB HIS 31 0.144 2.942 7.791
215 HD1 HIS 31 HD1 HIS 31 2.467 2.107 10.690
216 HD2 HIS 31 HD2 HIS 31 1.881 1.196 6.679
217 HE1 HIS 31 HE1 HIS 31 4.177 0.346 10.144
218 H GLN 32 H GLN 32 1.816 4.235 6.442
219 HA GLN 32 HA GLN 32 4.440 3.634 6.352
220 HB2 GLN 32 1HB GLN 32 3.049 5.663 4.595
221 HB3 GLN 32 2HB GLN 32 4.583 4.889 4.220
222 HG2 GLN 32 1HG GLN 32 3.185 2.692 4.552
223 HG3 GLN 32 2HG GLN 32 1.833 3.765 4.195
224 HE21 GLN 32 1HE2 GLN 32 4.372 1.928 2.925
225 HE22 GLN 32 2HE2 GLN 32 4.223 2.413 1.273
226 H ARG 33 H ARG 33 3.088 6.636 7.416
227 HA ARG 33 HA ARG 33 5.154 8.424 7.106
228 HB2 ARG 33 1HB ARG 33 3.421 8.165 9.569
229 HB3 ARG 33 2HB ARG 33 4.272 9.608 9.036
230 HG2 ARG 33 1HG ARG 33 2.829 9.229 6.859
231 HG3 ARG 33 2HG ARG 33 1.781 8.379 7.997
232 HD2 ARG 33 1HD ARG 33 2.813 11.103 8.665
233 HD3 ARG 33 2HD ARG 33 1.446 10.927 7.565
234 HE ARG 33 HE ARG 33 0.653 9.438 9.632
235 HH11 ARG 33 1HH1 ARG 33 2.051 12.624 9.510
236 HH12 ARG 33 2HH1 ARG 33 1.239 13.177 10.938
237 HH21 ARG 33 1HH2 ARG 33 -0.421 10.154 11.512
238 HH22 ARG 33 2HH2 ARG 33 -0.166 11.770 12.076
239 H ILE 34 H ILE 34 4.719 6.050 9.709
240 HA ILE 34 HA ILE 34 6.829 6.704 11.346
241 HB ILE 34 HB ILE 34 6.857 4.418 12.115
242 HG12 ILE 34 1HG1 ILE 34 4.955 3.527 9.993
243 HG13 ILE 34 2HG1 ILE 34 6.667 3.617 9.591
244 HG21 ILE 34 1HG2 ILE 34 4.044 5.182 11.345
245 HG22 ILE 34 2HG2 ILE 34 4.523 4.129 12.675
246 HG23 ILE 34 3HG2 ILE 34 4.935 5.843 12.716
247 HD11 ILE 34 3HD1 ILE 34 5.523 2.055 11.894
248 HD12 ILE 34 1HD1 ILE 34 5.953 1.380 10.322
249 HD13 ILE 34 2HD1 ILE 34 7.203 2.073 11.356
250 H HIS 35 H HIS 35 6.926 5.381 8.166
251 HA HIS 35 HA HIS 35 9.632 4.393 8.376
252 HB2 HIS 35 1HB HIS 35 7.847 4.779 5.964
253 HB3 HIS 35 2HB HIS 35 9.413 3.973 5.945
254 HD1 HIS 35 HD1 HIS 35 9.085 2.227 8.475
255 HD2 HIS 35 HD2 HIS 35 6.194 2.656 5.522
256 HE1 HIS 35 HE1 HIS 35 7.639 0.177 8.648
257 H THR 36 H THR 36 8.052 6.981 6.496
258 HA THR 36 HA THR 36 10.600 8.190 5.872
259 HB THR 36 HB THR 36 9.318 9.864 4.650
260 HG1 THR 36 HG1 THR 36 7.224 8.791 6.160
261 HG21 THR 36 3HG2 THR 36 7.802 7.445 3.902
262 HG22 THR 36 1HG2 THR 36 9.555 7.264 3.961
263 HG23 THR 36 2HG2 THR 36 8.829 8.489 2.920
264 H GLY 37 H GLY 37 10.790 8.250 8.429
265 HA2 GLY 37 1HA GLY 37 10.246 11.043 9.154
266 HA3 GLY 37 2HA GLY 37 9.726 9.774 10.253
267 H GLU 38 H GLU 38 11.518 8.184 10.855
268 HA GLU 38 HA GLU 38 13.898 9.764 11.533
269 HB2 GLU 38 1HB GLU 38 12.826 7.228 12.783
270 HB3 GLU 38 2HB GLU 38 14.259 8.095 13.316
271 HG2 GLU 38 1HG GLU 38 13.045 9.836 14.204
272 HG3 GLU 38 2HG GLU 38 11.642 9.516 13.186
273 H LYS 39 H LYS 39 14.721 9.378 9.345
274 HA LYS 39 HA LYS 39 15.780 6.660 8.964
275 HB2 LYS 39 1HB LYS 39 14.490 7.338 7.075
276 HB3 LYS 39 2HB LYS 39 15.274 8.911 7.021
277 HG2 LYS 39 1HG LYS 39 17.434 7.493 6.634
278 HG3 LYS 39 2HG LYS 39 16.282 6.259 6.119
279 HD2 LYS 39 1HD LYS 39 16.758 7.358 4.135
280 HD3 LYS 39 2HD LYS 39 15.278 8.161 4.667
281 HE2 LYS 39 1HE LYS 39 16.991 9.775 5.856
282 HE3 LYS 39 2HE LYS 39 18.081 9.169 4.609
283 HZ1 LYS 39 3HZ LYS 39 16.408 11.239 4.287
284 HZ2 LYS 39 1HZ LYS 39 15.478 9.977 3.649
285 HZ3 LYS 39 2HZ LYS 39 17.013 10.299 3.017
286 HA PRO 40 HA PRO 40 19.850 8.069 9.876
287 HB2 PRO 40 1HB PRO 40 21.267 6.168 8.554
288 HB3 PRO 40 2HB PRO 40 20.413 5.850 10.068
289 HG2 PRO 40 1HG PRO 40 19.570 5.257 7.257
290 HG3 PRO 40 2HG PRO 40 19.433 4.241 8.704
291 HD2 PRO 40 1HD PRO 40 17.346 5.652 7.711
292 HD3 PRO 40 2HD PRO 40 17.545 5.335 9.447
293 H SER 41 H SER 41 19.778 10.044 8.684
294 HA SER 41 HA SER 41 21.038 9.873 6.024
295 HB2 SER 41 1HB SER 41 19.934 12.080 5.555
296 HB3 SER 41 2HB SER 41 18.804 10.742 5.766
297 HG SER 41 HG SER 41 17.957 11.821 7.342
298 H GLY 42 H GLY 42 20.739 11.857 8.958
299 HA2 GLY 42 1HA GLY 42 22.974 12.409 9.967
300 HA3 GLY 42 2HA GLY 42 23.413 12.964 8.358
301 HA PRO 43 HA PRO 43 21.101 16.235 11.043
302 HB2 PRO 43 1HB PRO 43 23.157 17.361 12.413
303 HB3 PRO 43 2HB PRO 43 22.186 16.032 13.058
304 HG2 PRO 43 1HG PRO 43 24.878 15.951 11.749
305 HG3 PRO 43 2HG PRO 43 24.307 15.086 13.188
306 HD2 PRO 43 1HD PRO 43 24.467 13.914 10.752
307 HD3 PRO 43 2HD PRO 43 23.228 13.472 11.945
308 H SER 44 H SER 44 20.875 17.206 8.996
309 HA SER 44 HA SER 44 23.127 18.869 8.097
310 HB2 SER 44 1HB SER 44 22.139 17.237 6.467
311 HB3 SER 44 2HB SER 44 20.628 18.142 6.551
312 HG SER 44 HG SER 44 22.994 19.526 5.980
313 H SER 45 H SER 45 19.572 19.004 8.351
314 HA SER 45 HA SER 45 18.140 20.715 8.794
315 HB2 SER 45 1HB SER 45 20.603 21.585 10.280
316 HB3 SER 45 2HB SER 45 19.182 22.627 10.221
317 HG SER 45 HG SER 45 17.999 21.061 11.245
318 H GLY 46 H GLY 46 19.287 20.730 6.266
319 HA2 GLY 46 1HA GLY 46 19.782 23.595 5.760
320 HA3 GLY 46 2HA GLY 46 20.322 22.288 4.717
Start of MODEL 7
1 H1 GLY 1 H GLY 1 5.413 -25.965 5.496
2 HA2 GLY 1 1HA GLY 1 4.555 -27.222 7.294
3 HA3 GLY 1 2HA GLY 1 5.755 -26.209 8.082
4 H SER 2 H SER 2 4.696 -26.106 10.043
5 HA SER 2 HA SER 2 2.134 -25.816 10.733
6 HB2 SER 2 1HB SER 2 4.417 -24.160 11.833
7 HB3 SER 2 2HB SER 2 2.849 -24.349 12.617
8 HG SER 2 HG SER 2 4.293 -26.638 11.886
9 H SER 3 H SER 3 4.156 -23.039 9.782
10 HA SER 3 HA SER 3 3.606 -20.922 9.123
11 HB2 SER 3 1HB SER 3 1.403 -22.440 7.704
12 HB3 SER 3 2HB SER 3 1.948 -20.811 7.305
13 HG SER 3 HG SER 3 3.574 -23.138 7.241
14 H GLY 4 H GLY 4 2.645 -21.491 11.664
15 HA2 GLY 4 1HA GLY 4 -0.130 -20.753 11.875
16 HA3 GLY 4 2HA GLY 4 1.003 -20.951 13.204
17 H SER 5 H SER 5 -0.441 -18.984 13.780
18 HA SER 5 HA SER 5 -0.747 -16.716 13.962
19 HB2 SER 5 1HB SER 5 1.219 -15.568 14.704
20 HB3 SER 5 2HB SER 5 1.376 -17.242 15.234
21 HG SER 5 HG SER 5 3.294 -16.818 14.315
22 H SER 6 H SER 6 -1.065 -17.477 11.324
23 HA SER 6 HA SER 6 -0.083 -15.084 9.942
24 HB2 SER 6 1HB SER 6 0.571 -16.286 7.996
25 HB3 SER 6 2HB SER 6 1.292 -17.149 9.354
26 HG SER 6 HG SER 6 -0.901 -18.351 9.159
27 H GLY 7 H GLY 7 -1.293 -14.776 7.814
28 HA2 GLY 7 1HA GLY 7 -4.117 -15.550 8.216
29 HA3 GLY 7 2HA GLY 7 -3.623 -13.977 7.607
30 H THR 8 H THR 8 -5.446 -15.659 6.289
31 HA THR 8 HA THR 8 -3.934 -16.779 4.044
32 HB THR 8 HB THR 8 -6.901 -16.954 4.601
33 HG1 THR 8 HG1 THR 8 -6.158 -19.236 5.054
34 HG21 THR 8 3HG2 THR 8 -6.658 -17.339 2.314
35 HG22 THR 8 1HG2 THR 8 -6.589 -18.961 3.001
36 HG23 THR 8 2HG2 THR 8 -5.103 -18.145 2.516
37 H GLY 9 H GLY 9 -6.872 -14.787 4.475
38 HA2 GLY 9 1HA GLY 9 -6.813 -13.801 1.806
39 HA3 GLY 9 2HA GLY 9 -7.797 -13.174 3.120
40 H GLU 10 H GLU 10 -6.167 -11.847 0.980
41 HA GLU 10 HA GLU 10 -4.590 -10.124 2.773
42 HB2 GLU 10 1HB GLU 10 -3.011 -11.356 1.451
43 HB3 GLU 10 2HB GLU 10 -3.911 -11.032 -0.024
44 HG2 GLU 10 1HG GLU 10 -3.431 -8.560 0.468
45 HG3 GLU 10 2HG GLU 10 -2.212 -9.170 1.586
46 H LYS 11 H LYS 11 -4.672 -7.918 2.395
47 HA LYS 11 HA LYS 11 -6.972 -7.038 0.834
48 HB2 LYS 11 1HB LYS 11 -5.274 -5.767 2.963
49 HB3 LYS 11 2HB LYS 11 -6.346 -4.792 1.966
50 HG2 LYS 11 1HG LYS 11 -7.681 -5.217 3.776
51 HG3 LYS 11 2HG LYS 11 -8.144 -6.535 2.698
52 HD2 LYS 11 1HD LYS 11 -6.532 -8.005 3.868
53 HD3 LYS 11 2HD LYS 11 -6.184 -6.685 4.988
54 HE2 LYS 11 1HE LYS 11 -8.994 -7.633 4.572
55 HE3 LYS 11 2HE LYS 11 -7.909 -8.502 5.656
56 HZ1 LYS 11 3HZ LYS 11 -9.078 -6.955 6.968
57 HZ2 LYS 11 1HZ LYS 11 -8.820 -5.691 5.874
58 HZ3 LYS 11 2HZ LYS 11 -7.528 -6.305 6.777
59 HA PRO 12 HA PRO 12 -4.710 -5.286 -2.493
60 HB2 PRO 12 1HB PRO 12 -6.158 -3.053 -3.029
61 HB3 PRO 12 2HB PRO 12 -6.730 -4.683 -3.406
62 HG2 PRO 12 1HG PRO 12 -7.407 -2.929 -1.076
63 HG3 PRO 12 2HG PRO 12 -8.478 -3.939 -2.064
64 HD2 PRO 12 1HD PRO 12 -7.584 -4.713 0.372
65 HD3 PRO 12 2HD PRO 12 -7.906 -5.867 -0.938
66 H TYR 13 H TYR 13 -4.851 -3.789 0.514
67 HA TYR 13 HA TYR 13 -2.902 -1.742 -0.322
68 HB2 TYR 13 1HB TYR 13 -4.866 -1.679 1.977
69 HB3 TYR 13 2HB TYR 13 -3.613 -0.473 1.707
70 HD1 TYR 13 HD1 TYR 13 -3.782 1.102 -0.154
71 HD2 TYR 13 HD2 TYR 13 -6.846 -1.754 0.591
72 HE1 TYR 13 HE1 TYR 13 -5.301 2.357 -1.625
73 HE2 TYR 13 HE2 TYR 13 -8.373 -0.508 -0.880
74 HH TYR 13 HH TYR 13 -7.328 1.921 -2.981
75 H LYS 14 H LYS 14 -0.998 -2.768 0.021
76 HA LYS 14 HA LYS 14 -0.452 -3.641 2.779
77 HB2 LYS 14 1HB LYS 14 -0.564 -5.672 1.577
78 HB3 LYS 14 2HB LYS 14 0.285 -4.996 0.193
79 HG2 LYS 14 1HG LYS 14 2.290 -4.762 1.749
80 HG3 LYS 14 2HG LYS 14 1.403 -5.818 2.851
81 HD2 LYS 14 1HD LYS 14 1.157 -7.325 0.722
82 HD3 LYS 14 2HD LYS 14 2.563 -6.414 0.164
83 HE2 LYS 14 1HE LYS 14 3.935 -7.276 1.792
84 HE3 LYS 14 2HE LYS 14 2.602 -7.578 2.907
85 HZ1 LYS 14 3HZ LYS 14 1.901 -9.317 1.170
86 HZ2 LYS 14 1HZ LYS 14 3.191 -9.681 2.203
87 HZ3 LYS 14 2HZ LYS 14 3.493 -9.196 0.611
88 H CYS 15 H CYS 15 1.232 -2.667 3.699
89 HA CYS 15 HA CYS 15 2.656 -0.610 2.417
90 HB2 CYS 15 1HB CYS 15 2.261 -0.808 4.887
91 HB3 CYS 15 2HB CYS 15 3.478 -2.080 4.928
92 H ASN 16 H ASN 16 4.530 -0.556 1.324
93 HA ASN 16 HA ASN 16 5.892 -3.113 0.866
94 HB2 ASN 16 1HB ASN 16 4.966 -1.486 -0.998
95 HB3 ASN 16 2HB ASN 16 6.495 -0.655 -0.728
96 HD21 ASN 16 1HD2 ASN 16 8.281 -1.426 -1.652
97 HD22 ASN 16 2HD2 ASN 16 8.384 -2.916 -2.522
98 H GLU 17 H GLU 17 6.196 -0.943 3.093
99 HA GLU 17 HA GLU 17 9.072 -0.454 2.804
100 HB2 GLU 17 1HB GLU 17 7.043 0.689 4.730
101 HB3 GLU 17 2HB GLU 17 8.761 1.061 4.766
102 HG2 GLU 17 1HG GLU 17 7.078 1.535 2.330
103 HG3 GLU 17 2HG GLU 17 7.230 2.727 3.619
104 H CYS 18 H CYS 18 6.701 -2.031 4.864
105 HA CYS 18 HA CYS 18 8.911 -3.409 6.236
106 HB2 CYS 18 1HB CYS 18 7.564 -3.430 8.298
107 HB3 CYS 18 2HB CYS 18 7.932 -1.788 7.779
108 H GLY 19 H GLY 19 5.563 -3.517 5.131
109 HA2 GLY 19 1HA GLY 19 5.008 -5.605 3.889
110 HA3 GLY 19 2HA GLY 19 5.713 -6.467 5.249
111 H LYS 20 H LYS 20 3.965 -3.684 6.124
112 HA LYS 20 HA LYS 20 2.042 -5.195 7.572
113 HB2 LYS 20 1HB LYS 20 2.601 -2.309 7.118
114 HB3 LYS 20 2HB LYS 20 0.991 -2.741 7.678
115 HG2 LYS 20 1HG LYS 20 3.318 -3.899 9.110
116 HG3 LYS 20 2HG LYS 20 2.952 -2.189 9.354
117 HD2 LYS 20 1HD LYS 20 1.785 -3.351 11.048
118 HD3 LYS 20 2HD LYS 20 0.573 -2.908 9.844
119 HE2 LYS 20 1HE LYS 20 0.343 -5.234 10.680
120 HE3 LYS 20 2HE LYS 20 0.582 -5.130 8.936
121 HZ1 LYS 20 3HZ LYS 20 1.917 -6.883 10.018
122 HZ2 LYS 20 1HZ LYS 20 2.749 -5.691 10.885
123 HZ3 LYS 20 2HZ LYS 20 2.863 -5.744 9.198
124 H VAL 21 H VAL 21 -0.374 -4.310 7.369
125 HA VAL 21 HA VAL 21 -1.230 -4.032 4.612
126 HB VAL 21 HB VAL 21 -2.565 -6.256 6.070
127 HG11 VAL 21 1HG1 VAL 21 -3.418 -6.730 4.052
128 HG12 VAL 21 2HG1 VAL 21 -2.865 -5.114 3.610
129 HG13 VAL 21 3HG1 VAL 21 -1.867 -6.520 3.240
130 HG21 VAL 21 3HG2 VAL 21 0.037 -6.623 4.587
131 HG22 VAL 21 1HG2 VAL 21 -0.162 -6.734 6.336
132 HG23 VAL 21 2HG2 VAL 21 -0.964 -7.898 5.282
133 H PHE 22 H PHE 22 -3.264 -3.148 4.403
134 HA PHE 22 HA PHE 22 -4.886 -2.787 6.806
135 HB2 PHE 22 1HB PHE 22 -4.135 -0.446 5.049
136 HB3 PHE 22 2HB PHE 22 -5.056 -0.404 6.549
137 HD1 PHE 22 HD1 PHE 22 -1.707 -1.254 5.185
138 HD2 PHE 22 HD2 PHE 22 -3.981 -0.038 8.571
139 HE1 PHE 22 HE1 PHE 22 0.373 -0.884 6.446
140 HE2 PHE 22 HE2 PHE 22 -1.905 0.336 9.836
141 HZ PHE 22 HZ PHE 22 0.277 -0.087 8.774
142 H ARG 23 H ARG 23 -7.026 -1.750 6.250
143 HA ARG 23 HA ARG 23 -8.078 -3.071 3.892
144 HB2 ARG 23 1HB ARG 23 -9.158 -3.008 6.239
145 HB3 ARG 23 2HB ARG 23 -9.676 -1.386 5.801
146 HG2 ARG 23 1HG ARG 23 -10.259 -3.599 3.909
147 HG3 ARG 23 2HG ARG 23 -11.206 -3.491 5.394
148 HD2 ARG 23 1HD ARG 23 -11.656 -1.089 4.807
149 HD3 ARG 23 2HD ARG 23 -10.911 -1.406 3.240
150 HE ARG 23 HE ARG 23 -12.922 -3.312 3.708
151 HH11 ARG 23 1HH1 ARG 23 -12.543 0.083 3.036
152 HH12 ARG 23 2HH1 ARG 23 -14.074 0.230 2.240
153 HH21 ARG 23 1HH2 ARG 23 -14.941 -3.131 2.662
154 HH22 ARG 23 2HH2 ARG 23 -15.438 -1.599 2.029
155 H HIS 24 H HIS 24 -8.237 0.227 5.247
156 HA HIS 24 HA HIS 24 -8.814 1.236 2.550
157 HB2 HIS 24 1HB HIS 24 -10.206 1.765 4.741
158 HB3 HIS 24 2HB HIS 24 -8.955 2.984 4.967
159 HD1 HIS 24 HD1 HIS 24 -9.385 5.154 3.858
160 HD2 HIS 24 HD2 HIS 24 -11.514 2.059 2.084
161 HE1 HIS 24 HE1 HIS 24 -10.830 6.245 2.113
162 H ASN 25 H ASN 25 -7.575 2.828 1.599
163 HA ASN 25 HA ASN 25 -4.844 2.817 1.996
164 HB2 ASN 25 1HB ASN 25 -6.076 3.668 -0.032
165 HB3 ASN 25 2HB ASN 25 -6.392 5.152 0.862
166 HD21 ASN 25 1HD2 ASN 25 -3.872 3.104 -0.463
167 HD22 ASN 25 2HD2 ASN 25 -2.675 4.343 -0.597
168 H SER 26 H SER 26 -7.174 5.276 3.091
169 HA SER 26 HA SER 26 -5.659 7.151 4.253
170 HB2 SER 26 1HB SER 26 -8.012 7.346 4.487
171 HB3 SER 26 2HB SER 26 -8.130 5.818 5.361
172 HG SER 26 HG SER 26 -8.002 8.133 6.447
173 H TYR 27 H TYR 27 -6.598 4.192 6.014
174 HA TYR 27 HA TYR 27 -5.032 4.595 8.268
175 HB2 TYR 27 1HB TYR 27 -5.714 1.938 6.993
176 HB3 TYR 27 2HB TYR 27 -5.242 2.195 8.669
177 HD1 TYR 27 HD2 TYR 27 -6.775 4.053 9.892
178 HD2 TYR 27 HD1 TYR 27 -7.960 1.646 6.589
179 HE1 TYR 27 HE2 TYR 27 -9.133 4.374 10.511
180 HE2 TYR 27 HE1 TYR 27 -10.322 1.962 7.199
181 HH TYR 27 HH TYR 27 -11.633 2.515 9.261
182 H LEU 28 H LEU 28 -4.202 3.035 5.204
183 HA LEU 28 HA LEU 28 -1.636 2.143 5.961
184 HB2 LEU 28 1HB LEU 28 -2.509 1.148 4.048
185 HB3 LEU 28 2HB LEU 28 -2.972 2.695 3.341
186 HG LEU 28 HG LEU 28 -0.503 3.159 3.051
187 HD11 LEU 28 1HD1 LEU 28 -0.360 0.246 3.798
188 HD12 LEU 28 2HD1 LEU 28 0.447 1.601 4.585
189 HD13 LEU 28 3HD1 LEU 28 0.926 1.113 2.960
190 HD21 LEU 28 3HD2 LEU 28 -0.330 1.624 1.072
191 HD22 LEU 28 1HD2 LEU 28 -1.805 2.588 1.145
192 HD23 LEU 28 2HD2 LEU 28 -1.843 0.885 1.600
193 H SER 29 H SER 29 -2.823 5.198 4.722
194 HA SER 29 HA SER 29 -0.323 6.333 4.058
195 HB2 SER 29 1HB SER 29 -2.434 7.268 3.234
196 HB3 SER 29 2HB SER 29 -2.900 7.697 4.880
197 HG SER 29 HG SER 29 -0.681 8.849 4.726
198 H ARG 30 H ARG 30 -2.368 6.735 6.950
199 HA ARG 30 HA ARG 30 -0.632 8.377 8.388
200 HB2 ARG 30 1HB ARG 30 -2.795 6.459 9.201
201 HB3 ARG 30 2HB ARG 30 -1.835 7.289 10.418
202 HG2 ARG 30 1HG ARG 30 -2.515 9.449 9.420
203 HG3 ARG 30 2HG ARG 30 -3.560 8.564 8.307
204 HD2 ARG 30 1HD ARG 30 -4.520 7.515 10.495
205 HD3 ARG 30 2HD ARG 30 -3.813 8.937 11.260
206 HE ARG 30 HE ARG 30 -5.297 9.841 9.102
207 HH11 ARG 30 1HH1 ARG 30 -5.858 8.145 12.090
208 HH12 ARG 30 2HH1 ARG 30 -7.469 8.752 12.284
209 HH21 ARG 30 1HH2 ARG 30 -7.417 10.647 9.346
210 HH22 ARG 30 2HH2 ARG 30 -8.355 10.175 10.723
211 H HIS 31 H HIS 31 -0.254 5.146 7.497
212 HA HIS 31 HA HIS 31 1.469 4.462 9.744
213 HB2 HIS 31 1HB HIS 31 0.162 2.627 9.091
214 HB3 HIS 31 2HB HIS 31 0.408 2.943 7.376
215 HD1 HIS 31 HD1 HIS 31 2.438 1.811 10.385
216 HD2 HIS 31 HD2 HIS 31 2.343 1.414 6.250
217 HE1 HIS 31 HE1 HIS 31 4.244 0.153 9.827
218 H GLN 32 H GLN 32 1.778 4.496 6.187
219 HA GLN 32 HA GLN 32 4.408 4.053 5.832
220 HB2 GLN 32 1HB GLN 32 2.693 6.131 4.476
221 HB3 GLN 32 2HB GLN 32 4.315 5.727 3.931
222 HG2 GLN 32 1HG GLN 32 2.314 3.549 4.270
223 HG3 GLN 32 2HG GLN 32 2.218 4.601 2.859
224 HE21 GLN 32 1HE2 GLN 32 2.633 2.661 1.641
225 HE22 GLN 32 2HE2 GLN 32 4.257 2.104 1.445
226 H ARG 33 H ARG 33 3.020 6.817 7.385
227 HA ARG 33 HA ARG 33 4.971 8.738 7.180
228 HB2 ARG 33 1HB ARG 33 3.591 8.101 9.784
229 HB3 ARG 33 2HB ARG 33 4.148 9.667 9.211
230 HG2 ARG 33 1HG ARG 33 2.432 9.159 7.264
231 HG3 ARG 33 2HG ARG 33 1.702 8.147 8.511
232 HD2 ARG 33 1HD ARG 33 2.473 10.969 9.127
233 HD3 ARG 33 2HD ARG 33 0.971 10.632 8.267
234 HE ARG 33 HE ARG 33 0.780 8.997 10.382
235 HH11 ARG 33 1HH1 ARG 33 1.593 12.372 10.118
236 HH12 ARG 33 2HH1 ARG 33 0.948 12.784 11.672
237 HH21 ARG 33 1HH2 ARG 33 -0.072 9.526 12.431
238 HH22 ARG 33 2HH2 ARG 33 0.002 11.164 12.987
239 H ILE 34 H ILE 34 4.823 6.141 9.616
240 HA ILE 34 HA ILE 34 7.135 6.699 11.009
241 HB ILE 34 HB ILE 34 7.202 4.386 11.685
242 HG12 ILE 34 1HG1 ILE 34 5.032 3.614 9.786
243 HG13 ILE 34 2HG1 ILE 34 6.682 3.687 9.177
244 HG21 ILE 34 1HG2 ILE 34 5.470 4.929 12.963
245 HG22 ILE 34 2HG2 ILE 34 4.815 5.980 11.708
246 HG23 ILE 34 3HG2 ILE 34 4.405 4.265 11.725
247 HD11 ILE 34 3HD1 ILE 34 7.064 1.677 9.998
248 HD12 ILE 34 1HD1 ILE 34 6.725 2.268 11.624
249 HD13 ILE 34 2HD1 ILE 34 5.420 1.616 10.634
250 H HIS 35 H HIS 35 6.831 5.689 7.768
251 HA HIS 35 HA HIS 35 9.604 4.750 7.647
252 HB2 HIS 35 1HB HIS 35 7.406 4.688 5.570
253 HB3 HIS 35 2HB HIS 35 9.034 4.058 5.332
254 HD1 HIS 35 HD1 HIS 35 9.567 2.356 7.675
255 HD2 HIS 35 HD2 HIS 35 5.784 2.577 5.971
256 HE1 HIS 35 HE1 HIS 35 8.390 0.247 8.375
257 H THR 36 H THR 36 7.437 7.077 6.052
258 HA THR 36 HA THR 36 9.821 8.657 5.335
259 HB THR 36 HB THR 36 8.769 7.672 3.332
260 HG1 THR 36 HG1 THR 36 8.421 9.766 2.267
261 HG21 THR 36 3HG2 THR 36 6.412 7.905 4.518
262 HG22 THR 36 1HG2 THR 36 6.565 7.918 2.762
263 HG23 THR 36 2HG2 THR 36 6.393 9.436 3.643
264 H GLY 37 H GLY 37 9.881 10.664 6.121
265 HA2 GLY 37 1HA GLY 37 8.285 12.711 6.234
266 HA3 GLY 37 2HA GLY 37 7.456 11.706 7.413
267 H GLU 38 H GLU 38 7.901 12.262 9.429
268 HA GLU 38 HA GLU 38 10.182 13.864 10.084
269 HB2 GLU 38 1HB GLU 38 7.858 12.740 11.583
270 HB3 GLU 38 2HB GLU 38 9.259 13.284 12.496
271 HG2 GLU 38 1HG GLU 38 8.065 15.085 10.446
272 HG3 GLU 38 2HG GLU 38 7.275 14.903 12.011
273 H LYS 39 H LYS 39 12.156 13.116 10.423
274 HA LYS 39 HA LYS 39 12.565 10.302 11.048
275 HB2 LYS 39 1HB LYS 39 13.958 11.153 9.303
276 HB3 LYS 39 2HB LYS 39 14.445 12.533 10.278
277 HG2 LYS 39 1HG LYS 39 15.356 10.643 11.875
278 HG3 LYS 39 2HG LYS 39 15.373 9.715 10.374
279 HD2 LYS 39 1HD LYS 39 16.606 11.744 9.380
280 HD3 LYS 39 2HD LYS 39 16.877 12.221 11.058
281 HE2 LYS 39 1HE LYS 39 17.555 9.457 10.124
282 HE3 LYS 39 2HE LYS 39 18.666 10.797 9.842
283 HZ1 LYS 39 3HZ LYS 39 19.210 10.912 12.005
284 HZ2 LYS 39 1HZ LYS 39 18.671 9.309 12.050
285 HZ3 LYS 39 2HZ LYS 39 17.647 10.560 12.548
286 HA PRO 40 HA PRO 40 13.238 10.946 15.352
287 HB2 PRO 40 1HB PRO 40 14.755 8.757 15.878
288 HB3 PRO 40 2HB PRO 40 13.016 8.670 15.573
289 HG2 PRO 40 1HG PRO 40 15.296 8.135 13.708
290 HG3 PRO 40 2HG PRO 40 13.790 7.224 13.925
291 HD2 PRO 40 1HD PRO 40 14.158 8.965 11.884
292 HD3 PRO 40 2HD PRO 40 12.570 8.687 12.628
293 H SER 41 H SER 41 14.716 11.892 16.679
294 HA SER 41 HA SER 41 17.547 11.795 16.044
295 HB2 SER 41 1HB SER 41 17.863 14.127 15.742
296 HB3 SER 41 2HB SER 41 16.493 13.707 14.714
297 HG SER 41 HG SER 41 15.169 14.375 16.580
298 H GLY 42 H GLY 42 18.818 12.012 17.818
299 HA2 GLY 42 1HA GLY 42 18.595 13.440 20.075
300 HA3 GLY 42 2HA GLY 42 17.463 12.131 20.383
301 HA PRO 43 HA PRO 43 21.894 10.966 21.559
302 HB2 PRO 43 1HB PRO 43 21.508 10.833 24.243
303 HB3 PRO 43 2HB PRO 43 22.017 12.311 23.418
304 HG2 PRO 43 1HG PRO 43 19.288 11.503 24.345
305 HG3 PRO 43 2HG PRO 43 20.092 13.078 24.474
306 HD2 PRO 43 1HD PRO 43 18.245 12.536 22.569
307 HD3 PRO 43 2HD PRO 43 19.603 13.647 22.294
308 H SER 44 H SER 44 22.543 8.897 22.224
309 HA SER 44 HA SER 44 20.630 6.837 21.830
310 HB2 SER 44 1HB SER 44 22.479 5.299 22.262
311 HB3 SER 44 2HB SER 44 23.015 6.606 21.206
312 HG SER 44 HG SER 44 24.159 7.477 22.838
313 H SER 45 H SER 45 19.229 6.068 23.249
314 HA SER 45 HA SER 45 19.151 6.816 25.953
315 HB2 SER 45 1HB SER 45 17.262 5.407 26.151
316 HB3 SER 45 2HB SER 45 17.238 5.954 24.475
317 HG SER 45 HG SER 45 16.927 3.625 24.872
318 H GLY 46 H GLY 46 19.511 5.614 27.858
319 HA2 GLY 46 1HA GLY 46 21.820 3.889 27.701
320 HA3 GLY 46 2HA GLY 46 21.023 4.439 29.168
Start of MODEL 8
1 H1 GLY 1 H GLY 1 8.290 -7.724 23.483
2 HA2 GLY 1 1HA GLY 1 8.132 -7.319 21.063
3 HA3 GLY 1 2HA GLY 1 9.705 -8.088 20.915
4 H SER 2 H SER 2 6.836 -9.084 22.754
5 HA SER 2 HA SER 2 7.093 -11.789 21.912
6 HB2 SER 2 1HB SER 2 6.118 -11.426 24.051
7 HB3 SER 2 2HB SER 2 4.932 -10.295 23.400
8 HG SER 2 HG SER 2 3.762 -12.078 23.477
9 H SER 3 H SER 3 7.085 -11.563 19.606
10 HA SER 3 HA SER 3 4.512 -11.991 18.461
11 HB2 SER 3 1HB SER 3 4.549 -10.084 16.878
12 HB3 SER 3 2HB SER 3 4.399 -9.554 18.553
13 HG SER 3 HG SER 3 6.654 -9.442 16.859
14 H GLY 4 H GLY 4 4.697 -12.218 16.009
15 HA2 GLY 4 1HA GLY 4 7.165 -12.484 14.713
16 HA3 GLY 4 2HA GLY 4 6.765 -14.040 15.424
17 H SER 5 H SER 5 4.640 -14.965 14.843
18 HA SER 5 HA SER 5 4.306 -15.392 12.191
19 HB2 SER 5 1HB SER 5 3.102 -16.727 13.794
20 HB3 SER 5 2HB SER 5 2.165 -15.331 14.327
21 HG SER 5 HG SER 5 1.020 -16.691 12.852
22 H SER 6 H SER 6 2.819 -14.663 10.580
23 HA SER 6 HA SER 6 1.959 -11.868 10.951
24 HB2 SER 6 1HB SER 6 3.952 -12.244 9.404
25 HB3 SER 6 2HB SER 6 2.827 -13.052 8.312
26 HG SER 6 HG SER 6 2.945 -10.350 9.072
27 H GLY 7 H GLY 7 -0.183 -11.765 11.013
28 HA2 GLY 7 1HA GLY 7 -1.906 -13.817 10.122
29 HA3 GLY 7 2HA GLY 7 -2.397 -12.193 10.581
30 H THR 8 H THR 8 -3.539 -13.715 8.476
31 HA THR 8 HA THR 8 -2.491 -12.609 6.002
32 HB THR 8 HB THR 8 -4.363 -13.864 4.929
33 HG1 THR 8 HG1 THR 8 -4.821 -15.148 7.394
34 HG21 THR 8 3HG2 THR 8 -3.417 -16.144 6.199
35 HG22 THR 8 1HG2 THR 8 -2.116 -14.970 6.395
36 HG23 THR 8 2HG2 THR 8 -2.712 -15.365 4.783
37 H GLY 9 H GLY 9 -3.994 -11.542 4.462
38 HA2 GLY 9 1HA GLY 9 -6.282 -10.177 5.616
39 HA3 GLY 9 2HA GLY 9 -4.919 -9.142 5.219
40 H GLU 10 H GLU 10 -4.056 -10.433 2.873
41 HA GLU 10 HA GLU 10 -4.378 -10.240 0.624
42 HB2 GLU 10 1HB GLU 10 -5.784 -12.269 1.280
43 HB3 GLU 10 2HB GLU 10 -7.181 -11.209 1.160
44 HG2 GLU 10 1HG GLU 10 -7.055 -12.326 -0.894
45 HG3 GLU 10 2HG GLU 10 -6.434 -10.705 -1.199
46 H LYS 11 H LYS 11 -4.752 -7.846 1.966
47 HA LYS 11 HA LYS 11 -7.156 -6.623 0.850
48 HB2 LYS 11 1HB LYS 11 -5.016 -5.332 2.546
49 HB3 LYS 11 2HB LYS 11 -6.621 -4.701 2.201
50 HG2 LYS 11 1HG LYS 11 -6.417 -7.346 3.534
51 HG3 LYS 11 2HG LYS 11 -6.058 -5.899 4.479
52 HD2 LYS 11 1HD LYS 11 -8.307 -6.038 4.846
53 HD3 LYS 11 2HD LYS 11 -8.317 -5.065 3.373
54 HE2 LYS 11 1HE LYS 11 -9.834 -6.655 2.773
55 HE3 LYS 11 2HE LYS 11 -8.358 -7.455 2.235
56 HZ1 LYS 11 3HZ LYS 11 -8.432 -8.363 4.688
57 HZ2 LYS 11 1HZ LYS 11 -9.285 -9.121 3.440
58 HZ3 LYS 11 2HZ LYS 11 -10.090 -8.082 4.504
59 HA PRO 12 HA PRO 12 -5.159 -4.821 -2.623
60 HB2 PRO 12 1HB PRO 12 -6.595 -2.533 -2.896
61 HB3 PRO 12 2HB PRO 12 -7.243 -4.128 -3.299
62 HG2 PRO 12 1HG PRO 12 -7.645 -2.490 -0.826
63 HG3 PRO 12 2HG PRO 12 -8.832 -3.423 -1.755
64 HD2 PRO 12 1HD PRO 12 -7.725 -4.346 0.537
65 HD3 PRO 12 2HD PRO 12 -8.202 -5.421 -0.793
66 H TYR 13 H TYR 13 -4.965 -3.490 0.458
67 HA TYR 13 HA TYR 13 -2.959 -1.534 -0.453
68 HB2 TYR 13 1HB TYR 13 -4.800 -1.247 1.931
69 HB3 TYR 13 2HB TYR 13 -3.564 -0.095 1.436
70 HD1 TYR 13 HD1 TYR 13 -3.870 1.250 -0.605
71 HD2 TYR 13 HD2 TYR 13 -6.920 -1.355 0.813
72 HE1 TYR 13 HE1 TYR 13 -5.507 2.395 -2.041
73 HE2 TYR 13 HE2 TYR 13 -8.565 -0.218 -0.620
74 HH TYR 13 HH TYR 13 -7.915 1.535 -3.133
75 H LYS 14 H LYS 14 -1.081 -2.533 -0.040
76 HA LYS 14 HA LYS 14 -0.611 -3.442 2.717
77 HB2 LYS 14 1HB LYS 14 -0.837 -5.471 1.505
78 HB3 LYS 14 2HB LYS 14 0.111 -4.857 0.156
79 HG2 LYS 14 1HG LYS 14 2.042 -4.722 1.848
80 HG3 LYS 14 2HG LYS 14 1.045 -5.786 2.842
81 HD2 LYS 14 1HD LYS 14 0.880 -7.177 0.618
82 HD3 LYS 14 2HD LYS 14 2.369 -6.316 0.222
83 HE2 LYS 14 1HE LYS 14 3.484 -7.198 2.121
84 HE3 LYS 14 2HE LYS 14 1.980 -7.811 2.805
85 HZ1 LYS 14 3HZ LYS 14 3.731 -9.245 1.316
86 HZ2 LYS 14 1HZ LYS 14 2.538 -8.843 0.185
87 HZ3 LYS 14 2HZ LYS 14 2.117 -9.665 1.602
88 H CYS 15 H CYS 15 1.236 -2.737 3.625
89 HA CYS 15 HA CYS 15 2.752 -0.722 2.301
90 HB2 CYS 15 1HB CYS 15 2.284 -0.785 4.765
91 HB3 CYS 15 2HB CYS 15 3.414 -2.129 4.894
92 H ASN 16 H ASN 16 5.033 -0.734 1.899
93 HA ASN 16 HA ASN 16 6.039 -3.411 1.196
94 HB2 ASN 16 1HB ASN 16 6.729 -0.729 -0.026
95 HB3 ASN 16 2HB ASN 16 7.413 -2.277 -0.514
96 HD21 ASN 16 1HD2 ASN 16 5.431 -3.956 -0.746
97 HD22 ASN 16 2HD2 ASN 16 4.229 -3.407 -1.859
98 H GLU 17 H GLU 17 6.848 -0.327 2.677
99 HA GLU 17 HA GLU 17 9.566 -0.691 3.120
100 HB2 GLU 17 1HB GLU 17 7.506 0.728 4.813
101 HB3 GLU 17 2HB GLU 17 9.239 0.839 5.084
102 HG2 GLU 17 1HG GLU 17 8.657 2.760 3.875
103 HG3 GLU 17 2HG GLU 17 9.429 1.683 2.713
104 H CYS 18 H CYS 18 6.842 -1.570 5.236
105 HA CYS 18 HA CYS 18 8.675 -3.176 6.867
106 HB2 CYS 18 1HB CYS 18 6.859 -3.247 8.515
107 HB3 CYS 18 2HB CYS 18 7.246 -1.587 8.073
108 H GLY 19 H GLY 19 5.737 -3.401 4.927
109 HA2 GLY 19 1HA GLY 19 5.269 -5.338 3.607
110 HA3 GLY 19 2HA GLY 19 6.163 -6.305 4.771
111 H LYS 20 H LYS 20 3.821 -3.913 5.760
112 HA LYS 20 HA LYS 20 2.190 -6.060 6.901
113 HB2 LYS 20 1HB LYS 20 2.653 -3.194 7.555
114 HB3 LYS 20 2HB LYS 20 1.078 -3.870 7.947
115 HG2 LYS 20 1HG LYS 20 1.935 -5.311 9.520
116 HG3 LYS 20 2HG LYS 20 3.543 -5.319 8.792
117 HD2 LYS 20 1HD LYS 20 3.584 -2.813 9.462
118 HD3 LYS 20 2HD LYS 20 2.272 -3.259 10.556
119 HE2 LYS 20 1HE LYS 20 4.374 -3.380 11.733
120 HE3 LYS 20 2HE LYS 20 3.724 -5.006 11.527
121 HZ1 LYS 20 3HZ LYS 20 5.495 -5.614 10.355
122 HZ2 LYS 20 1HZ LYS 20 6.234 -4.175 10.851
123 HZ3 LYS 20 2HZ LYS 20 5.429 -4.244 9.365
124 H VAL 21 H VAL 21 -0.236 -5.491 7.011
125 HA VAL 21 HA VAL 21 -1.128 -4.344 4.451
126 HB VAL 21 HB VAL 21 -2.403 -6.791 5.660
127 HG11 VAL 21 1HG1 VAL 21 -2.604 -5.397 3.001
128 HG12 VAL 21 2HG1 VAL 21 -3.231 -7.022 3.288
129 HG13 VAL 21 3HG1 VAL 21 -3.876 -5.653 4.195
130 HG21 VAL 21 3HG2 VAL 21 0.067 -7.039 4.927
131 HG22 VAL 21 1HG2 VAL 21 -1.118 -8.210 4.348
132 HG23 VAL 21 2HG2 VAL 21 -0.576 -6.907 3.290
133 H PHE 22 H PHE 22 -3.297 -3.543 4.437
134 HA PHE 22 HA PHE 22 -4.542 -3.195 7.069
135 HB2 PHE 22 1HB PHE 22 -4.076 -0.932 5.116
136 HB3 PHE 22 2HB PHE 22 -4.890 -0.814 6.673
137 HD1 PHE 22 HD1 PHE 22 -1.630 -1.576 5.086
138 HD2 PHE 22 HD2 PHE 22 -3.681 -0.408 8.628
139 HE1 PHE 22 HE1 PHE 22 0.525 -1.087 6.168
140 HE2 PHE 22 HE2 PHE 22 -1.529 0.084 9.716
141 HZ PHE 22 HZ PHE 22 0.577 -0.255 8.486
142 H ARG 23 H ARG 23 -6.752 -2.033 6.746
143 HA ARG 23 HA ARG 23 -8.083 -3.340 4.470
144 HB2 ARG 23 1HB ARG 23 -8.649 -3.938 6.935
145 HB3 ARG 23 2HB ARG 23 -9.511 -2.405 6.939
146 HG2 ARG 23 1HG ARG 23 -10.575 -3.414 4.738
147 HG3 ARG 23 2HG ARG 23 -10.135 -4.932 5.523
148 HD2 ARG 23 1HD ARG 23 -11.291 -3.931 7.600
149 HD3 ARG 23 2HD ARG 23 -12.015 -2.795 6.462
150 HE ARG 23 HE ARG 23 -12.687 -5.561 6.807
151 HH11 ARG 23 1HH1 ARG 23 -12.650 -2.901 4.562
152 HH12 ARG 23 2HH1 ARG 23 -13.934 -3.535 3.587
153 HH21 ARG 23 1HH2 ARG 23 -14.379 -6.406 5.533
154 HH22 ARG 23 2HH2 ARG 23 -14.918 -5.529 4.141
155 H HIS 24 H HIS 24 -6.789 -0.623 4.656
156 HA HIS 24 HA HIS 24 -8.704 0.794 3.132
157 HB2 HIS 24 1HB HIS 24 -9.402 1.026 5.678
158 HB3 HIS 24 2HB HIS 24 -8.146 2.261 5.673
159 HD1 HIS 24 HD1 HIS 24 -8.778 4.506 4.776
160 HD2 HIS 24 HD2 HIS 24 -11.543 1.569 3.781
161 HE1 HIS 24 HE1 HIS 24 -10.703 5.727 3.715
162 H ASN 25 H ASN 25 -7.884 2.796 2.302
163 HA ASN 25 HA ASN 25 -5.023 2.785 2.057
164 HB2 ASN 25 1HB ASN 25 -6.656 3.331 0.196
165 HB3 ASN 25 2HB ASN 25 -6.929 4.875 0.998
166 HD21 ASN 25 1HD2 ASN 25 -4.917 6.141 1.463
167 HD22 ASN 25 2HD2 ASN 25 -3.700 6.156 0.237
168 H SER 26 H SER 26 -7.368 5.250 3.135
169 HA SER 26 HA SER 26 -5.748 7.240 3.975
170 HB2 SER 26 1HB SER 26 -8.224 7.250 4.181
171 HB3 SER 26 2HB SER 26 -8.090 6.191 5.584
172 HG SER 26 HG SER 26 -8.260 8.382 6.198
173 H TYR 27 H TYR 27 -6.521 4.333 5.867
174 HA TYR 27 HA TYR 27 -4.990 4.996 8.129
175 HB2 TYR 27 1HB TYR 27 -5.648 2.234 7.088
176 HB3 TYR 27 2HB TYR 27 -5.171 2.641 8.732
177 HD1 TYR 27 HD2 TYR 27 -6.866 5.207 8.893
178 HD2 TYR 27 HD1 TYR 27 -7.751 1.241 7.633
179 HE1 TYR 27 HE2 TYR 27 -9.226 5.549 9.495
180 HE2 TYR 27 HE1 TYR 27 -10.114 1.572 8.231
181 HH TYR 27 HH TYR 27 -11.351 4.702 9.168
182 H LEU 28 H LEU 28 -4.184 3.217 5.182
183 HA LEU 28 HA LEU 28 -1.606 2.394 5.961
184 HB2 LEU 28 1HB LEU 28 -2.602 1.319 4.110
185 HB3 LEU 28 2HB LEU 28 -2.885 2.848 3.281
186 HG LEU 28 HG LEU 28 -0.431 3.076 2.973
187 HD11 LEU 28 1HD1 LEU 28 1.075 1.628 3.793
188 HD12 LEU 28 2HD1 LEU 28 0.041 0.228 3.507
189 HD13 LEU 28 3HD1 LEU 28 -0.204 1.227 4.940
190 HD21 LEU 28 3HD2 LEU 28 -0.532 1.962 1.018
191 HD22 LEU 28 1HD2 LEU 28 -2.212 1.699 1.485
192 HD23 LEU 28 2HD2 LEU 28 -1.007 0.445 1.782
193 H SER 29 H SER 29 -2.665 5.181 4.014
194 HA SER 29 HA SER 29 -0.213 6.312 3.466
195 HB2 SER 29 1HB SER 29 -2.454 7.094 2.621
196 HB3 SER 29 2HB SER 29 -2.693 7.892 4.175
197 HG SER 29 HG SER 29 -1.808 9.270 2.526
198 H ARG 30 H ARG 30 -2.241 6.803 6.340
199 HA ARG 30 HA ARG 30 -0.515 8.645 7.609
200 HB2 ARG 30 1HB ARG 30 -2.581 6.776 8.785
201 HB3 ARG 30 2HB ARG 30 -1.799 8.084 9.662
202 HG2 ARG 30 1HG ARG 30 -2.794 9.721 8.199
203 HG3 ARG 30 2HG ARG 30 -3.491 8.444 7.199
204 HD2 ARG 30 1HD ARG 30 -5.295 8.956 8.508
205 HD3 ARG 30 2HD ARG 30 -4.550 7.694 9.489
206 HE ARG 30 HE ARG 30 -4.717 10.515 10.106
207 HH11 ARG 30 1HH1 ARG 30 -3.189 7.465 10.801
208 HH12 ARG 30 2HH1 ARG 30 -2.679 7.934 12.389
209 HH21 ARG 30 1HH2 ARG 30 -4.051 11.145 12.195
210 HH22 ARG 30 2HH2 ARG 30 -3.171 10.027 13.181
211 H HIS 31 H HIS 31 -0.610 5.158 7.489
212 HA HIS 31 HA HIS 31 1.133 4.695 9.692
213 HB2 HIS 31 1HB HIS 31 -0.119 2.819 9.147
214 HB3 HIS 31 2HB HIS 31 0.106 3.043 7.415
215 HD1 HIS 31 HD1 HIS 31 2.009 1.869 10.468
216 HD2 HIS 31 HD2 HIS 31 2.161 1.604 6.324
217 HE1 HIS 31 HE1 HIS 31 3.825 0.203 9.966
218 H GLN 32 H GLN 32 1.654 4.632 6.167
219 HA GLN 32 HA GLN 32 4.295 4.022 6.014
220 HB2 GLN 32 1HB GLN 32 2.830 6.141 4.434
221 HB3 GLN 32 2HB GLN 32 4.401 5.483 3.996
222 HG2 GLN 32 1HG GLN 32 3.408 3.262 3.775
223 HG3 GLN 32 2HG GLN 32 1.834 3.926 4.208
224 HE21 GLN 32 1HE2 GLN 32 3.357 2.767 1.704
225 HE22 GLN 32 2HE2 GLN 32 2.774 3.781 0.433
226 H ARG 33 H ARG 33 2.920 6.852 7.408
227 HA ARG 33 HA ARG 33 4.882 8.754 7.205
228 HB2 ARG 33 1HB ARG 33 3.299 8.091 9.695
229 HB3 ARG 33 2HB ARG 33 4.113 9.615 9.369
230 HG2 ARG 33 1HG ARG 33 1.979 8.548 7.554
231 HG3 ARG 33 2HG ARG 33 1.599 9.510 8.985
232 HD2 ARG 33 1HD ARG 33 1.691 11.052 7.215
233 HD3 ARG 33 2HD ARG 33 3.225 11.234 8.065
234 HE ARG 33 HE ARG 33 3.370 9.378 5.889
235 HH11 ARG 33 1HH1 ARG 33 3.484 12.749 6.754
236 HH12 ARG 33 2HH1 ARG 33 4.429 13.204 5.375
237 HH21 ARG 33 1HH2 ARG 33 4.614 9.966 4.070
238 HH22 ARG 33 2HH2 ARG 33 5.070 11.621 3.848
239 H ILE 34 H ILE 34 4.700 6.173 9.651
240 HA ILE 34 HA ILE 34 6.987 6.755 11.084
241 HB ILE 34 HB ILE 34 7.030 4.469 11.812
242 HG12 ILE 34 1HG1 ILE 34 5.017 3.726 9.701
243 HG13 ILE 34 2HG1 ILE 34 6.746 3.606 9.393
244 HG21 ILE 34 1HG2 ILE 34 4.619 6.025 11.701
245 HG22 ILE 34 2HG2 ILE 34 4.235 4.304 11.734
246 HG23 ILE 34 3HG2 ILE 34 5.236 5.009 13.004
247 HD11 ILE 34 3HD1 ILE 34 6.173 2.350 11.879
248 HD12 ILE 34 1HD1 ILE 34 5.058 1.741 10.657
249 HD13 ILE 34 2HD1 ILE 34 6.799 1.639 10.392
250 H HIS 35 H HIS 35 6.703 5.536 7.877
251 HA HIS 35 HA HIS 35 9.466 4.613 7.798
252 HB2 HIS 35 1HB HIS 35 7.265 4.612 5.727
253 HB3 HIS 35 2HB HIS 35 8.901 4.040 5.413
254 HD1 HIS 35 HD1 HIS 35 9.627 2.148 7.431
255 HD2 HIS 35 HD2 HIS 35 5.644 2.547 6.315
256 HE1 HIS 35 HE1 HIS 35 8.514 0.004 8.131
257 H THR 36 H THR 36 7.443 6.906 5.959
258 HA THR 36 HA THR 36 9.546 8.130 4.571
259 HB THR 36 HB THR 36 7.893 10.118 4.443
260 HG1 THR 36 HG1 THR 36 6.699 9.306 6.343
261 HG21 THR 36 3HG2 THR 36 6.353 8.730 2.940
262 HG22 THR 36 1HG2 THR 36 7.353 7.351 3.395
263 HG23 THR 36 2HG2 THR 36 8.074 8.726 2.557
264 H GLY 37 H GLY 37 8.863 8.209 7.850
265 HA2 GLY 37 1HA GLY 37 9.794 10.918 8.323
266 HA3 GLY 37 2HA GLY 37 9.339 9.740 9.545
267 H GLU 38 H GLU 38 10.883 7.883 9.817
268 HA GLU 38 HA GLU 38 13.653 8.621 9.207
269 HB2 GLU 38 1HB GLU 38 14.340 8.109 11.516
270 HB3 GLU 38 2HB GLU 38 13.241 9.479 11.444
271 HG2 GLU 38 1HG GLU 38 11.410 8.120 12.196
272 HG3 GLU 38 2HG GLU 38 12.410 6.670 12.127
273 H LYS 39 H LYS 39 14.849 6.948 8.550
274 HA LYS 39 HA LYS 39 13.647 4.291 8.608
275 HB2 LYS 39 1HB LYS 39 15.917 5.522 7.064
276 HB3 LYS 39 2HB LYS 39 15.677 3.780 7.099
277 HG2 LYS 39 1HG LYS 39 13.219 4.468 6.407
278 HG3 LYS 39 2HG LYS 39 14.058 5.896 5.797
279 HD2 LYS 39 1HD LYS 39 15.640 4.285 4.632
280 HD3 LYS 39 2HD LYS 39 14.478 3.017 5.029
281 HE2 LYS 39 1HE LYS 39 12.734 4.477 3.895
282 HE3 LYS 39 2HE LYS 39 14.083 5.429 3.277
283 HZ1 LYS 39 3HZ LYS 39 14.948 3.183 2.439
284 HZ2 LYS 39 1HZ LYS 39 13.672 3.910 1.600
285 HZ3 LYS 39 2HZ LYS 39 13.364 2.635 2.667
286 HA PRO 40 HA PRO 40 16.216 2.822 11.869
287 HB2 PRO 40 1HB PRO 40 16.138 0.166 11.310
288 HB3 PRO 40 2HB PRO 40 14.769 1.042 12.004
289 HG2 PRO 40 1HG PRO 40 15.267 0.252 9.160
290 HG3 PRO 40 2HG PRO 40 13.765 0.165 10.098
291 HD2 PRO 40 1HD PRO 40 14.263 2.153 8.328
292 HD3 PRO 40 2HD PRO 40 13.299 2.402 9.798
293 H SER 41 H SER 41 17.992 0.907 12.017
294 HA SER 41 HA SER 41 20.294 1.860 10.829
295 HB2 SER 41 1HB SER 41 19.639 -0.885 11.907
296 HB3 SER 41 2HB SER 41 21.257 -0.433 11.371
297 HG SER 41 HG SER 41 21.521 0.561 13.192
298 H GLY 42 H GLY 42 18.266 -0.867 9.778
299 HA2 GLY 42 1HA GLY 42 17.826 -1.251 7.450
300 HA3 GLY 42 2HA GLY 42 19.384 -0.528 7.077
301 HA PRO 43 HA PRO 43 20.231 -4.992 8.784
302 HB2 PRO 43 1HB PRO 43 18.076 -6.640 8.878
303 HB3 PRO 43 2HB PRO 43 18.578 -5.637 10.244
304 HG2 PRO 43 1HG PRO 43 16.423 -5.146 8.225
305 HG3 PRO 43 2HG PRO 43 16.390 -4.897 9.981
306 HD2 PRO 43 1HD PRO 43 16.770 -2.868 8.229
307 HD3 PRO 43 2HD PRO 43 17.508 -2.886 9.843
308 H SER 44 H SER 44 17.512 -4.782 6.497
309 HA SER 44 HA SER 44 18.331 -6.972 4.900
310 HB2 SER 44 1HB SER 44 16.377 -4.732 4.597
311 HB3 SER 44 2HB SER 44 16.825 -5.653 3.161
312 HG SER 44 HG SER 44 15.534 -7.149 3.839
313 H SER 45 H SER 45 18.897 -6.732 2.547
314 HA SER 45 HA SER 45 20.287 -4.381 1.699
315 HB2 SER 45 1HB SER 45 21.842 -5.711 3.359
316 HB3 SER 45 2HB SER 45 22.102 -6.749 1.958
317 HG SER 45 HG SER 45 22.843 -4.955 0.816
318 H GLY 46 H GLY 46 21.302 -4.682 -0.454
319 HA2 GLY 46 1HA GLY 46 21.443 -5.662 -2.556
320 HA3 GLY 46 2HA GLY 46 20.640 -7.088 -1.915
Start of MODEL 9
1 H1 GLY 1 H GLY 1 16.865 -19.003 1.188
2 HA2 GLY 1 1HA GLY 1 14.422 -19.573 2.166
3 HA3 GLY 1 2HA GLY 1 14.682 -19.267 0.455
4 H SER 2 H SER 2 12.742 -21.023 1.801
5 HA SER 2 HA SER 2 13.534 -23.565 0.536
6 HB2 SER 2 1HB SER 2 13.473 -23.829 2.965
7 HB3 SER 2 2HB SER 2 11.835 -23.177 3.014
8 HG SER 2 HG SER 2 11.610 -25.081 1.339
9 H SER 3 H SER 3 10.791 -21.511 1.463
10 HA SER 3 HA SER 3 9.519 -21.850 -1.060
11 HB2 SER 3 1HB SER 3 7.579 -23.111 -0.409
12 HB3 SER 3 2HB SER 3 8.999 -24.045 0.063
13 HG SER 3 HG SER 3 7.581 -22.321 1.813
14 H GLY 4 H GLY 4 7.684 -20.501 -1.316
15 HA2 GLY 4 1HA GLY 4 6.597 -19.007 0.867
16 HA3 GLY 4 2HA GLY 4 7.753 -18.057 -0.056
17 H SER 5 H SER 5 5.336 -20.453 -1.090
18 HA SER 5 HA SER 5 4.485 -18.713 -3.225
19 HB2 SER 5 1HB SER 5 2.991 -20.569 -3.844
20 HB3 SER 5 2HB SER 5 4.640 -21.139 -3.584
21 HG SER 5 HG SER 5 2.881 -22.393 -2.581
22 H SER 6 H SER 6 2.974 -20.115 -0.328
23 HA SER 6 HA SER 6 0.680 -18.335 -0.662
24 HB2 SER 6 1HB SER 6 1.182 -20.626 1.251
25 HB3 SER 6 2HB SER 6 -0.287 -19.651 1.235
26 HG SER 6 HG SER 6 -0.795 -21.301 -0.063
27 H GLY 7 H GLY 7 1.431 -16.329 -0.063
28 HA2 GLY 7 1HA GLY 7 2.509 -16.089 2.674
29 HA3 GLY 7 2HA GLY 7 2.802 -14.936 1.380
30 H THR 8 H THR 8 1.977 -13.954 3.740
31 HA THR 8 HA THR 8 -0.865 -13.739 3.946
32 HB THR 8 HB THR 8 0.625 -13.460 5.902
33 HG1 THR 8 HG1 THR 8 -0.443 -11.431 6.612
34 HG21 THR 8 3HG2 THR 8 2.387 -12.174 4.657
35 HG22 THR 8 1HG2 THR 8 1.938 -11.486 6.217
36 HG23 THR 8 2HG2 THR 8 1.322 -10.770 4.727
37 H GLY 9 H GLY 9 -2.158 -11.886 3.569
38 HA2 GLY 9 1HA GLY 9 -1.999 -9.472 2.779
39 HA3 GLY 9 2HA GLY 9 -1.077 -10.148 1.444
40 H GLU 10 H GLU 10 -4.237 -9.817 2.881
41 HA GLU 10 HA GLU 10 -5.435 -10.989 0.460
42 HB2 GLU 10 1HB GLU 10 -6.666 -10.591 3.193
43 HB3 GLU 10 2HB GLU 10 -7.477 -11.295 1.801
44 HG2 GLU 10 1HG GLU 10 -4.972 -12.457 2.977
45 HG3 GLU 10 2HG GLU 10 -6.586 -12.905 3.526
46 H LYS 11 H LYS 11 -4.691 -8.091 1.853
47 HA LYS 11 HA LYS 11 -7.040 -6.720 0.738
48 HB2 LYS 11 1HB LYS 11 -5.085 -6.045 2.893
49 HB3 LYS 11 2HB LYS 11 -5.855 -4.731 2.012
50 HG2 LYS 11 1HG LYS 11 -7.121 -5.146 3.985
51 HG3 LYS 11 2HG LYS 11 -8.063 -5.714 2.605
52 HD2 LYS 11 1HD LYS 11 -8.269 -7.403 4.231
53 HD3 LYS 11 2HD LYS 11 -7.076 -8.013 3.081
54 HE2 LYS 11 1HE LYS 11 -6.318 -8.443 5.330
55 HE3 LYS 11 2HE LYS 11 -5.280 -7.229 4.584
56 HZ1 LYS 11 3HZ LYS 11 -6.911 -7.025 6.914
57 HZ2 LYS 11 1HZ LYS 11 -7.258 -5.791 5.808
58 HZ3 LYS 11 2HZ LYS 11 -5.678 -6.001 6.373
59 HA PRO 12 HA PRO 12 -4.693 -5.166 -2.640
60 HB2 PRO 12 1HB PRO 12 -6.060 -2.874 -3.139
61 HB3 PRO 12 2HB PRO 12 -6.696 -4.476 -3.531
62 HG2 PRO 12 1HG PRO 12 -7.291 -2.726 -1.176
63 HG3 PRO 12 2HG PRO 12 -8.405 -3.684 -2.168
64 HD2 PRO 12 1HD PRO 12 -7.525 -4.520 0.252
65 HD3 PRO 12 2HD PRO 12 -7.898 -5.645 -1.069
66 H TYR 13 H TYR 13 -4.791 -3.667 0.381
67 HA TYR 13 HA TYR 13 -2.749 -1.707 -0.442
68 HB2 TYR 13 1HB TYR 13 -4.693 -1.559 1.871
69 HB3 TYR 13 2HB TYR 13 -3.418 -0.389 1.552
70 HD1 TYR 13 HD1 TYR 13 -3.566 1.112 -0.392
71 HD2 TYR 13 HD2 TYR 13 -6.722 -1.571 0.583
72 HE1 TYR 13 HE1 TYR 13 -5.085 2.375 -1.858
73 HE2 TYR 13 HE2 TYR 13 -8.249 -0.316 -0.881
74 HH TYR 13 HH TYR 13 -8.468 1.377 -2.295
75 H LYS 14 H LYS 14 -0.868 -2.739 -0.063
76 HA LYS 14 HA LYS 14 -0.360 -3.606 2.697
77 HB2 LYS 14 1HB LYS 14 -0.636 -5.674 1.591
78 HB3 LYS 14 2HB LYS 14 0.228 -5.120 0.163
79 HG2 LYS 14 1HG LYS 14 2.298 -5.011 1.567
80 HG3 LYS 14 2HG LYS 14 1.383 -5.796 2.856
81 HD2 LYS 14 1HD LYS 14 0.830 -7.508 0.906
82 HD3 LYS 14 2HD LYS 14 2.356 -6.890 0.269
83 HE2 LYS 14 1HE LYS 14 3.568 -7.650 2.112
84 HE3 LYS 14 2HE LYS 14 2.126 -7.805 3.114
85 HZ1 LYS 14 3HZ LYS 14 2.031 -9.923 2.529
86 HZ2 LYS 14 1HZ LYS 14 3.353 -9.748 1.488
87 HZ3 LYS 14 2HZ LYS 14 1.784 -9.474 0.917
88 H CYS 15 H CYS 15 1.404 -2.713 3.547
89 HA CYS 15 HA CYS 15 2.959 -0.841 2.120
90 HB2 CYS 15 1HB CYS 15 2.551 -0.806 4.590
91 HB3 CYS 15 2HB CYS 15 3.653 -2.170 4.746
92 H ASN 16 H ASN 16 5.079 -0.911 1.392
93 HA ASN 16 HA ASN 16 6.083 -3.609 0.831
94 HB2 ASN 16 1HB ASN 16 6.772 -0.957 -0.454
95 HB3 ASN 16 2HB ASN 16 7.438 -2.517 -0.928
96 HD21 ASN 16 1HD2 ASN 16 5.706 -0.462 -2.288
97 HD22 ASN 16 2HD2 ASN 16 4.379 -1.374 -2.916
98 H GLU 17 H GLU 17 6.814 -0.690 2.534
99 HA GLU 17 HA GLU 17 9.606 -1.045 2.820
100 HB2 GLU 17 1HB GLU 17 7.608 0.438 4.534
101 HB3 GLU 17 2HB GLU 17 9.349 0.514 4.766
102 HG2 GLU 17 1HG GLU 17 8.229 1.163 2.088
103 HG3 GLU 17 2HG GLU 17 8.085 2.344 3.389
104 H CYS 18 H CYS 18 6.883 -1.850 4.966
105 HA CYS 18 HA CYS 18 8.693 -3.629 6.461
106 HB2 CYS 18 1HB CYS 18 7.145 -3.406 8.349
107 HB3 CYS 18 2HB CYS 18 7.735 -1.831 7.828
108 H GLY 19 H GLY 19 5.437 -3.337 5.093
109 HA2 GLY 19 1HA GLY 19 4.754 -5.353 3.777
110 HA3 GLY 19 2HA GLY 19 5.242 -6.286 5.184
111 H LYS 20 H LYS 20 4.127 -4.221 7.012
112 HA LYS 20 HA LYS 20 1.803 -5.278 7.801
113 HB2 LYS 20 1HB LYS 20 2.810 -2.479 7.830
114 HB3 LYS 20 2HB LYS 20 1.124 -2.732 8.260
115 HG2 LYS 20 1HG LYS 20 1.656 -3.969 10.146
116 HG3 LYS 20 2HG LYS 20 3.277 -4.349 9.560
117 HD2 LYS 20 1HD LYS 20 3.553 -1.723 9.687
118 HD3 LYS 20 2HD LYS 20 2.253 -1.880 10.871
119 HE2 LYS 20 1HE LYS 20 3.606 -3.524 12.105
120 HE3 LYS 20 2HE LYS 20 4.909 -3.312 10.936
121 HZ1 LYS 20 3HZ LYS 20 4.269 -1.732 13.201
122 HZ2 LYS 20 1HZ LYS 20 4.255 -0.779 11.804
123 HZ3 LYS 20 2HZ LYS 20 5.636 -1.667 12.207
124 H VAL 21 H VAL 21 -0.332 -5.300 7.262
125 HA VAL 21 HA VAL 21 -1.029 -4.105 4.662
126 HB VAL 21 HB VAL 21 -2.407 -6.423 6.018
127 HG11 VAL 21 1HG1 VAL 21 -2.613 -5.218 3.266
128 HG12 VAL 21 2HG1 VAL 21 -3.288 -6.790 3.697
129 HG13 VAL 21 3HG1 VAL 21 -3.873 -5.328 4.494
130 HG21 VAL 21 3HG2 VAL 21 -1.249 -7.691 4.074
131 HG22 VAL 21 1HG2 VAL 21 -0.121 -6.335 4.090
132 HG23 VAL 21 2HG2 VAL 21 -0.328 -7.327 5.533
133 H PHE 22 H PHE 22 -3.127 -3.200 4.391
134 HA PHE 22 HA PHE 22 -4.608 -2.602 6.846
135 HB2 PHE 22 1HB PHE 22 -3.733 -0.508 4.844
136 HB3 PHE 22 2HB PHE 22 -4.782 -0.226 6.229
137 HD1 PHE 22 HD1 PHE 22 -1.396 -1.536 5.396
138 HD2 PHE 22 HD2 PHE 22 -3.855 0.511 8.204
139 HE1 PHE 22 HE1 PHE 22 0.579 -1.086 6.792
140 HE2 PHE 22 HE2 PHE 22 -1.884 0.965 9.604
141 HZ PHE 22 HZ PHE 22 0.337 0.167 8.899
142 H ARG 23 H ARG 23 -6.803 -2.066 6.530
143 HA ARG 23 HA ARG 23 -7.969 -3.312 4.221
144 HB2 ARG 23 1HB ARG 23 -8.875 -3.360 6.611
145 HB3 ARG 23 2HB ARG 23 -9.442 -1.722 6.313
146 HG2 ARG 23 1HG ARG 23 -10.686 -2.638 4.324
147 HG3 ARG 23 2HG ARG 23 -10.286 -4.248 4.926
148 HD2 ARG 23 1HD ARG 23 -11.298 -3.368 7.156
149 HD3 ARG 23 2HD ARG 23 -12.062 -2.161 6.122
150 HE ARG 23 HE ARG 23 -12.721 -4.422 4.868
151 HH11 ARG 23 1HH1 ARG 23 -12.855 -3.547 8.235
152 HH12 ARG 23 2HH1 ARG 23 -14.212 -4.567 8.581
153 HH21 ARG 23 1HH2 ARG 23 -14.508 -5.769 5.311
154 HH22 ARG 23 2HH2 ARG 23 -15.151 -5.831 6.917
155 H HIS 24 H HIS 24 -7.836 -0.007 5.510
156 HA HIS 24 HA HIS 24 -8.769 0.966 2.890
157 HB2 HIS 24 1HB HIS 24 -10.092 1.419 5.129
158 HB3 HIS 24 2HB HIS 24 -8.883 2.682 5.336
159 HD1 HIS 24 HD1 HIS 24 -9.179 4.797 4.001
160 HD2 HIS 24 HD2 HIS 24 -11.762 1.767 2.812
161 HE1 HIS 24 HE1 HIS 24 -10.791 5.877 2.402
162 H ASN 25 H ASN 25 -7.699 2.695 1.926
163 HA ASN 25 HA ASN 25 -4.923 2.815 2.283
164 HB2 ASN 25 1HB ASN 25 -5.516 3.456 0.156
165 HB3 ASN 25 2HB ASN 25 -6.922 4.363 0.706
166 HD21 ASN 25 1HD2 ASN 25 -3.852 4.596 -0.504
167 HD22 ASN 25 2HD2 ASN 25 -3.517 6.241 -0.093
168 H SER 26 H SER 26 -7.481 5.066 3.275
169 HA SER 26 HA SER 26 -6.134 7.191 4.239
170 HB2 SER 26 1HB SER 26 -8.437 5.722 5.532
171 HB3 SER 26 2HB SER 26 -7.854 7.285 6.102
172 HG SER 26 HG SER 26 -9.650 7.253 4.508
173 H TYR 27 H TYR 27 -6.507 4.101 5.946
174 HA TYR 27 HA TYR 27 -5.041 4.879 8.243
175 HB2 TYR 27 1HB TYR 27 -5.620 2.125 7.133
176 HB3 TYR 27 2HB TYR 27 -4.957 2.446 8.732
177 HD1 TYR 27 HD2 TYR 27 -6.531 4.617 9.764
178 HD2 TYR 27 HD1 TYR 27 -7.776 1.330 7.367
179 HE1 TYR 27 HE2 TYR 27 -8.808 4.826 10.671
180 HE2 TYR 27 HE1 TYR 27 -10.056 1.530 8.266
181 HH TYR 27 HH TYR 27 -11.388 3.805 9.413
182 H LEU 28 H LEU 28 -4.154 3.008 5.354
183 HA LEU 28 HA LEU 28 -1.528 2.409 6.030
184 HB2 LEU 28 1HB LEU 28 -2.565 1.394 4.128
185 HB3 LEU 28 2HB LEU 28 -2.779 2.960 3.347
186 HG LEU 28 HG LEU 28 -0.311 3.134 3.136
187 HD11 LEU 28 1HD1 LEU 28 0.009 1.442 5.067
188 HD12 LEU 28 2HD1 LEU 28 1.138 1.426 3.712
189 HD13 LEU 28 3HD1 LEU 28 -0.149 0.223 3.801
190 HD21 LEU 28 3HD2 LEU 28 -0.158 1.156 1.467
191 HD22 LEU 28 1HD2 LEU 28 -1.324 2.446 1.174
192 HD23 LEU 28 2HD2 LEU 28 -1.860 0.914 1.864
193 H SER 29 H SER 29 -2.855 5.304 4.490
194 HA SER 29 HA SER 29 -0.496 6.596 3.816
195 HB2 SER 29 1HB SER 29 -2.794 7.360 3.201
196 HB3 SER 29 2HB SER 29 -3.007 7.927 4.857
197 HG SER 29 HG SER 29 -2.065 9.681 4.218
198 H ARG 30 H ARG 30 -2.291 6.698 6.878
199 HA ARG 30 HA ARG 30 -0.544 8.495 8.182
200 HB2 ARG 30 1HB ARG 30 -2.569 6.501 9.173
201 HB3 ARG 30 2HB ARG 30 -1.599 7.459 10.285
202 HG2 ARG 30 1HG ARG 30 -2.629 9.434 9.695
203 HG3 ARG 30 2HG ARG 30 -3.143 8.817 8.124
204 HD2 ARG 30 1HD ARG 30 -5.139 8.751 9.225
205 HD3 ARG 30 2HD ARG 30 -4.529 7.149 9.633
206 HE ARG 30 HE ARG 30 -4.259 7.829 11.821
207 HH11 ARG 30 1HH1 ARG 30 -5.023 10.559 9.801
208 HH12 ARG 30 2HH1 ARG 30 -5.315 11.629 11.132
209 HH21 ARG 30 1HH2 ARG 30 -4.640 9.227 13.583
210 HH22 ARG 30 2HH2 ARG 30 -5.096 10.870 13.283
211 H HIS 31 H HIS 31 -0.639 4.978 7.952
212 HA HIS 31 HA HIS 31 1.362 4.446 9.871
213 HB2 HIS 31 1HB HIS 31 0.124 2.563 9.336
214 HB3 HIS 31 2HB HIS 31 0.140 2.914 7.611
215 HD1 HIS 31 HD1 HIS 31 2.582 1.799 10.304
216 HD2 HIS 31 HD2 HIS 31 1.923 1.425 6.219
217 HE1 HIS 31 HE1 HIS 31 4.328 0.185 9.486
218 H GLN 32 H GLN 32 1.567 4.464 6.308
219 HA GLN 32 HA GLN 32 4.196 4.004 5.897
220 HB2 GLN 32 1HB GLN 32 2.326 5.921 4.539
221 HB3 GLN 32 2HB GLN 32 3.998 5.777 4.011
222 HG2 GLN 32 1HG GLN 32 2.307 3.333 4.275
223 HG3 GLN 32 2HG GLN 32 2.143 4.375 2.862
224 HE21 GLN 32 1HE2 GLN 32 3.160 3.470 1.228
225 HE22 GLN 32 2HE2 GLN 32 4.733 2.757 1.276
226 H ARG 33 H ARG 33 2.836 6.772 7.452
227 HA ARG 33 HA ARG 33 4.751 8.717 7.147
228 HB2 ARG 33 1HB ARG 33 3.304 8.013 9.707
229 HB3 ARG 33 2HB ARG 33 4.083 9.550 9.357
230 HG2 ARG 33 1HG ARG 33 1.949 8.537 7.538
231 HG3 ARG 33 2HG ARG 33 1.512 9.286 9.075
232 HD2 ARG 33 1HD ARG 33 3.435 10.646 7.232
233 HD3 ARG 33 2HD ARG 33 1.701 10.746 6.929
234 HE ARG 33 HE ARG 33 3.175 12.012 9.068
235 HH11 ARG 33 1HH1 ARG 33 0.060 11.012 7.876
236 HH12 ARG 33 2HH1 ARG 33 -0.821 12.136 8.857
237 HH21 ARG 33 1HH2 ARG 33 2.025 13.496 10.365
238 HH22 ARG 33 2HH2 ARG 33 0.297 13.548 10.272
239 H ILE 34 H ILE 34 4.740 6.113 9.575
240 HA ILE 34 HA ILE 34 7.067 6.715 10.917
241 HB ILE 34 HB ILE 34 7.225 4.394 11.547
242 HG12 ILE 34 1HG1 ILE 34 5.040 3.583 9.682
243 HG13 ILE 34 2HG1 ILE 34 6.672 3.726 9.037
244 HG21 ILE 34 1HG2 ILE 34 5.532 5.034 12.861
245 HG22 ILE 34 2HG2 ILE 34 4.679 5.820 11.533
246 HG23 ILE 34 3HG2 ILE 34 4.517 4.082 11.778
247 HD11 ILE 34 3HD1 ILE 34 6.599 2.237 11.521
248 HD12 ILE 34 1HD1 ILE 34 5.584 1.520 10.270
249 HD13 ILE 34 2HD1 ILE 34 7.297 1.807 9.960
250 H HIS 35 H HIS 35 6.705 5.675 7.674
251 HA HIS 35 HA HIS 35 9.486 4.812 7.459
252 HB2 HIS 35 1HB HIS 35 7.236 4.848 5.439
253 HB3 HIS 35 2HB HIS 35 8.867 4.276 5.099
254 HD1 HIS 35 HD1 HIS 35 9.562 2.002 6.115
255 HD2 HIS 35 HD2 HIS 35 5.647 3.113 6.951
256 HE1 HIS 35 HE1 HIS 35 8.454 -0.068 7.018
257 H THR 36 H THR 36 7.425 6.903 5.436
258 HA THR 36 HA THR 36 9.421 8.300 4.161
259 HB THR 36 HB THR 36 7.108 8.525 3.477
260 HG1 THR 36 HG1 THR 36 7.717 11.140 4.297
261 HG21 THR 36 3HG2 THR 36 6.457 10.399 5.689
262 HG22 THR 36 1HG2 THR 36 6.420 8.672 6.043
263 HG23 THR 36 2HG2 THR 36 5.401 9.332 4.764
264 H GLY 37 H GLY 37 7.944 8.986 7.305
265 HA2 GLY 37 1HA GLY 37 8.629 10.324 9.039
266 HA3 GLY 37 2HA GLY 37 10.245 10.200 8.359
267 H GLU 38 H GLU 38 10.877 12.296 8.661
268 HA GLU 38 HA GLU 38 9.387 14.314 7.116
269 HB2 GLU 38 1HB GLU 38 10.566 14.470 9.861
270 HB3 GLU 38 2HB GLU 38 10.507 15.921 8.870
271 HG2 GLU 38 1HG GLU 38 8.134 15.822 8.728
272 HG3 GLU 38 2HG GLU 38 8.100 14.226 9.475
273 H LYS 39 H LYS 39 10.747 16.175 6.435
274 HA LYS 39 HA LYS 39 12.985 15.305 4.985
275 HB2 LYS 39 1HB LYS 39 13.352 17.686 4.481
276 HB3 LYS 39 2HB LYS 39 11.664 17.229 4.290
277 HG2 LYS 39 1HG LYS 39 10.988 18.433 6.131
278 HG3 LYS 39 2HG LYS 39 12.588 18.395 6.875
279 HD2 LYS 39 1HD LYS 39 12.564 20.560 6.150
280 HD3 LYS 39 2HD LYS 39 13.222 19.783 4.708
281 HE2 LYS 39 1HE LYS 39 10.272 20.206 5.076
282 HE3 LYS 39 2HE LYS 39 11.310 21.458 4.398
283 HZ1 LYS 39 3HZ LYS 39 11.725 18.911 3.166
284 HZ2 LYS 39 1HZ LYS 39 11.389 20.409 2.455
285 HZ3 LYS 39 2HZ LYS 39 10.124 19.434 3.012
286 HA PRO 40 HA PRO 40 16.260 15.460 7.922
287 HB2 PRO 40 1HB PRO 40 18.350 15.802 6.223
288 HB3 PRO 40 2HB PRO 40 17.489 14.267 6.391
289 HG2 PRO 40 1HG PRO 40 17.189 16.389 4.300
290 HG3 PRO 40 2HG PRO 40 17.236 14.627 4.107
291 HD2 PRO 40 1HD PRO 40 14.922 16.032 4.090
292 HD3 PRO 40 2HD PRO 40 15.028 14.375 4.716
293 H SER 41 H SER 41 15.612 17.470 8.903
294 HA SER 41 HA SER 41 16.736 19.921 7.804
295 HB2 SER 41 1HB SER 41 15.562 21.007 9.726
296 HB3 SER 41 2HB SER 41 14.486 20.078 8.682
297 HG SER 41 HG SER 41 13.933 19.099 10.451
298 H GLY 42 H GLY 42 16.749 18.397 11.036
299 HA2 GLY 42 1HA GLY 42 19.060 19.854 11.870
300 HA3 GLY 42 2HA GLY 42 18.304 18.521 12.731
301 HA PRO 43 HA PRO 43 22.459 17.158 11.126
302 HB2 PRO 43 1HB PRO 43 23.347 16.199 13.506
303 HB3 PRO 43 2HB PRO 43 23.552 17.884 13.012
304 HG2 PRO 43 1HG PRO 43 21.497 16.678 14.825
305 HG3 PRO 43 2HG PRO 43 22.413 18.185 15.017
306 HD2 PRO 43 1HD PRO 43 19.854 18.137 14.134
307 HD3 PRO 43 2HD PRO 43 21.028 19.355 13.594
308 H SER 44 H SER 44 21.738 15.437 9.942
309 HA SER 44 HA SER 44 20.114 13.363 10.646
310 HB2 SER 44 1HB SER 44 21.181 13.840 8.374
311 HB3 SER 44 2HB SER 44 22.575 12.928 8.952
312 HG SER 44 HG SER 44 21.386 11.108 9.003
313 H SER 45 H SER 45 20.359 11.306 11.517
314 HA SER 45 HA SER 45 22.880 10.816 12.960
315 HB2 SER 45 1HB SER 45 20.859 11.587 14.375
316 HB3 SER 45 2HB SER 45 20.202 9.982 14.056
317 HG SER 45 HG SER 45 22.775 10.436 15.155
318 H GLY 46 H GLY 46 23.738 8.830 12.748
319 HA2 GLY 46 1HA GLY 46 22.093 6.795 11.374
320 HA3 GLY 46 2HA GLY 46 23.807 7.021 11.059
Start of MODEL 10
1 H1 GLY 1 H GLY 1 16.261 -22.265 9.035
2 HA2 GLY 1 1HA GLY 1 14.213 -22.735 7.759
3 HA3 GLY 1 2HA GLY 1 13.512 -23.329 9.257
4 H SER 2 H SER 2 12.745 -21.137 7.339
5 HA SER 2 HA SER 2 12.914 -18.792 9.077
6 HB2 SER 2 1HB SER 2 13.417 -18.515 6.669
7 HB3 SER 2 2HB SER 2 11.780 -19.043 6.280
8 HG SER 2 HG SER 2 12.637 -16.601 6.972
9 H SER 3 H SER 3 10.919 -17.475 9.349
10 HA SER 3 HA SER 3 8.711 -19.232 10.100
11 HB2 SER 3 1HB SER 3 9.766 -17.489 11.671
12 HB3 SER 3 2HB SER 3 8.904 -16.286 10.711
13 HG SER 3 HG SER 3 7.512 -16.796 12.304
14 H GLY 4 H GLY 4 6.469 -18.426 9.757
15 HA2 GLY 4 1HA GLY 4 5.641 -18.314 7.225
16 HA3 GLY 4 2HA GLY 4 4.811 -17.404 8.479
17 H SER 5 H SER 5 6.434 -17.208 5.557
18 HA SER 5 HA SER 5 7.778 -14.794 5.619
19 HB2 SER 5 1HB SER 5 6.083 -15.835 3.336
20 HB3 SER 5 2HB SER 5 7.398 -14.667 3.212
21 HG SER 5 HG SER 5 7.573 -17.280 3.066
22 H SER 6 H SER 6 7.224 -12.697 5.684
23 HA SER 6 HA SER 6 4.582 -11.969 6.440
24 HB2 SER 6 1HB SER 6 5.474 -9.626 6.313
25 HB3 SER 6 2HB SER 6 6.439 -10.707 7.318
26 HG SER 6 HG SER 6 8.020 -10.049 6.099
27 H GLY 7 H GLY 7 3.130 -12.464 4.823
28 HA2 GLY 7 1HA GLY 7 2.552 -10.545 2.906
29 HA3 GLY 7 2HA GLY 7 3.508 -11.775 2.092
30 H THR 8 H THR 8 0.852 -11.768 4.474
31 HA THR 8 HA THR 8 -0.622 -13.582 2.683
32 HB THR 8 HB THR 8 -1.550 -14.659 4.788
33 HG1 THR 8 HG1 THR 8 -0.862 -13.888 6.626
34 HG21 THR 8 3HG2 THR 8 -0.164 -16.161 3.820
35 HG22 THR 8 1HG2 THR 8 0.880 -15.776 5.187
36 HG23 THR 8 2HG2 THR 8 1.142 -14.991 3.630
37 H GLY 9 H GLY 9 -0.927 -10.770 2.816
38 HA2 GLY 9 1HA GLY 9 -3.347 -10.331 4.401
39 HA3 GLY 9 2HA GLY 9 -2.426 -9.099 3.551
40 H GLU 10 H GLU 10 -5.331 -10.420 3.590
41 HA GLU 10 HA GLU 10 -5.675 -10.871 0.742
42 HB2 GLU 10 1HB GLU 10 -7.381 -11.184 3.170
43 HB3 GLU 10 2HB GLU 10 -8.176 -10.991 1.614
44 HG2 GLU 10 1HG GLU 10 -6.044 -13.050 2.054
45 HG3 GLU 10 2HG GLU 10 -7.736 -13.359 2.436
46 H LYS 11 H LYS 11 -4.837 -8.240 1.613
47 HA LYS 11 HA LYS 11 -7.160 -6.668 0.709
48 HB2 LYS 11 1HB LYS 11 -5.062 -6.037 2.766
49 HB3 LYS 11 2HB LYS 11 -5.936 -4.750 1.947
50 HG2 LYS 11 1HG LYS 11 -7.178 -5.038 3.861
51 HG3 LYS 11 2HG LYS 11 -8.050 -6.047 2.704
52 HD2 LYS 11 1HD LYS 11 -6.861 -8.022 3.548
53 HD3 LYS 11 2HD LYS 11 -6.013 -7.006 4.717
54 HE2 LYS 11 1HE LYS 11 -8.365 -6.318 5.501
55 HE3 LYS 11 2HE LYS 11 -8.923 -7.731 4.607
56 HZ1 LYS 11 3HZ LYS 11 -6.820 -8.642 6.100
57 HZ2 LYS 11 1HZ LYS 11 -8.461 -8.883 6.432
58 HZ3 LYS 11 2HZ LYS 11 -7.635 -7.593 7.148
59 HA PRO 12 HA PRO 12 -4.697 -5.434 -2.724
60 HB2 PRO 12 1HB PRO 12 -5.968 -3.120 -3.360
61 HB3 PRO 12 2HB PRO 12 -6.658 -4.715 -3.682
62 HG2 PRO 12 1HG PRO 12 -7.221 -2.828 -1.427
63 HG3 PRO 12 2HG PRO 12 -8.356 -3.792 -2.390
64 HD2 PRO 12 1HD PRO 12 -7.545 -4.538 0.084
65 HD3 PRO 12 2HD PRO 12 -7.941 -5.714 -1.186
66 H TYR 13 H TYR 13 -4.785 -3.780 0.215
67 HA TYR 13 HA TYR 13 -2.676 -1.923 -0.672
68 HB2 TYR 13 1HB TYR 13 -4.514 -1.623 1.711
69 HB3 TYR 13 2HB TYR 13 -3.311 -0.458 1.169
70 HD1 TYR 13 HD2 TYR 13 -6.587 -1.955 0.440
71 HD2 TYR 13 HD1 TYR 13 -3.736 0.987 -0.709
72 HE1 TYR 13 HE2 TYR 13 -8.276 -0.887 -0.994
73 HE2 TYR 13 HE1 TYR 13 -5.418 2.064 -2.146
74 HH TYR 13 HH TYR 13 -8.749 1.213 -2.029
75 H LYS 14 H LYS 14 -0.730 -2.610 -0.102
76 HA LYS 14 HA LYS 14 -0.334 -3.647 2.611
77 HB2 LYS 14 1HB LYS 14 -0.437 -5.645 1.308
78 HB3 LYS 14 2HB LYS 14 0.589 -4.958 0.056
79 HG2 LYS 14 1HG LYS 14 2.453 -4.896 1.694
80 HG3 LYS 14 2HG LYS 14 1.410 -5.734 2.846
81 HD2 LYS 14 1HD LYS 14 1.417 -7.698 1.619
82 HD3 LYS 14 2HD LYS 14 1.838 -6.876 0.115
83 HE2 LYS 14 1HE LYS 14 4.049 -6.312 1.394
84 HE3 LYS 14 2HE LYS 14 3.587 -7.688 2.395
85 HZ1 LYS 14 3HZ LYS 14 4.568 -7.633 -0.321
86 HZ2 LYS 14 1HZ LYS 14 3.251 -8.668 -0.078
87 HZ3 LYS 14 2HZ LYS 14 4.659 -8.861 0.839
88 H CYS 15 H CYS 15 1.340 -2.729 3.613
89 HA CYS 15 HA CYS 15 2.814 -0.646 2.425
90 HB2 CYS 15 1HB CYS 15 2.306 -0.980 4.897
91 HB3 CYS 15 2HB CYS 15 3.626 -2.145 4.915
92 H ASN 16 H ASN 16 4.556 -0.685 1.175
93 HA ASN 16 HA ASN 16 6.000 -3.205 0.843
94 HB2 ASN 16 1HB ASN 16 5.636 -0.749 -0.814
95 HB3 ASN 16 2HB ASN 16 7.097 -1.704 -1.050
96 HD21 ASN 16 1HD2 ASN 16 4.473 -1.184 -2.569
97 HD22 ASN 16 2HD2 ASN 16 3.997 -2.765 -3.080
98 H GLU 17 H GLU 17 6.264 -0.953 3.005
99 HA GLU 17 HA GLU 17 9.133 -0.430 2.714
100 HB2 GLU 17 1HB GLU 17 7.001 0.746 4.488
101 HB3 GLU 17 2HB GLU 17 8.712 1.037 4.769
102 HG2 GLU 17 1HG GLU 17 7.550 1.575 2.078
103 HG3 GLU 17 2HG GLU 17 7.300 2.727 3.388
104 H CYS 18 H CYS 18 6.789 -1.903 4.908
105 HA CYS 18 HA CYS 18 9.032 -3.220 6.295
106 HB2 CYS 18 1HB CYS 18 7.525 -3.319 8.297
107 HB3 CYS 18 2HB CYS 18 8.015 -1.690 7.841
108 H GLY 19 H GLY 19 5.589 -3.528 5.444
109 HA2 GLY 19 1HA GLY 19 5.177 -5.651 4.116
110 HA3 GLY 19 2HA GLY 19 5.942 -6.459 5.476
111 H LYS 20 H LYS 20 3.858 -3.716 5.965
112 HA LYS 20 HA LYS 20 2.019 -5.413 7.457
113 HB2 LYS 20 1HB LYS 20 2.633 -2.499 7.375
114 HB3 LYS 20 2HB LYS 20 1.018 -2.981 7.880
115 HG2 LYS 20 1HG LYS 20 2.285 -4.580 9.489
116 HG3 LYS 20 2HG LYS 20 3.646 -3.493 9.198
117 HD2 LYS 20 1HD LYS 20 2.682 -2.514 11.045
118 HD3 LYS 20 2HD LYS 20 1.885 -1.632 9.740
119 HE2 LYS 20 1HE LYS 20 0.047 -3.389 9.899
120 HE3 LYS 20 2HE LYS 20 0.797 -3.878 11.417
121 HZ1 LYS 20 3HZ LYS 20 0.365 -1.046 11.227
122 HZ2 LYS 20 1HZ LYS 20 -0.044 -2.120 12.469
123 HZ3 LYS 20 2HZ LYS 20 -1.071 -1.936 11.138
124 H VAL 21 H VAL 21 -0.371 -4.438 7.335
125 HA VAL 21 HA VAL 21 -1.150 -3.866 4.588
126 HB VAL 21 HB VAL 21 -2.480 -6.168 5.992
127 HG11 VAL 21 1HG1 VAL 21 -3.643 -4.987 4.137
128 HG12 VAL 21 2HG1 VAL 21 -2.319 -5.455 3.068
129 HG13 VAL 21 3HG1 VAL 21 -3.333 -6.692 3.813
130 HG21 VAL 21 3HG2 VAL 21 -1.120 -7.614 4.406
131 HG22 VAL 21 1HG2 VAL 21 -0.063 -6.217 4.204
132 HG23 VAL 21 2HG2 VAL 21 -0.263 -6.950 5.796
133 H PHE 22 H PHE 22 -3.217 -2.964 4.388
134 HA PHE 22 HA PHE 22 -4.757 -2.538 6.834
135 HB2 PHE 22 1HB PHE 22 -3.910 -0.256 5.038
136 HB3 PHE 22 2HB PHE 22 -4.894 -0.137 6.494
137 HD1 PHE 22 HD1 PHE 22 -1.522 -1.105 5.286
138 HD2 PHE 22 HD2 PHE 22 -3.898 0.193 8.570
139 HE1 PHE 22 HE1 PHE 22 0.515 -0.782 6.628
140 HE2 PHE 22 HE2 PHE 22 -1.865 0.519 9.917
141 HZ PHE 22 HZ PHE 22 0.345 0.032 8.946
142 H ARG 23 H ARG 23 -6.942 -2.204 6.509
143 HA ARG 23 HA ARG 23 -8.073 -3.277 4.173
144 HB2 ARG 23 1HB ARG 23 -9.340 -1.595 6.342
145 HB3 ARG 23 2HB ARG 23 -10.233 -2.475 5.109
146 HG2 ARG 23 1HG ARG 23 -9.512 -4.572 5.968
147 HG3 ARG 23 2HG ARG 23 -8.358 -3.794 7.054
148 HD2 ARG 23 1HD ARG 23 -10.241 -4.432 8.361
149 HD3 ARG 23 2HD ARG 23 -10.300 -2.680 8.175
150 HE ARG 23 HE ARG 23 -11.836 -4.142 6.221
151 HH11 ARG 23 1HH1 ARG 23 -11.837 -2.636 9.360
152 HH12 ARG 23 2HH1 ARG 23 -13.555 -2.412 9.396
153 HH21 ARG 23 1HH2 ARG 23 -14.099 -3.853 6.257
154 HH22 ARG 23 2HH2 ARG 23 -14.840 -3.105 7.631
155 H HIS 24 H HIS 24 -8.071 0.088 5.354
156 HA HIS 24 HA HIS 24 -8.661 0.962 2.605
157 HB2 HIS 24 1HB HIS 24 -10.169 1.538 4.701
158 HB3 HIS 24 2HB HIS 24 -8.961 2.797 4.944
159 HD1 HIS 24 HD1 HIS 24 -9.032 4.805 3.397
160 HD2 HIS 24 HD2 HIS 24 -11.706 1.815 2.317
161 HE1 HIS 24 HE1 HIS 24 -10.504 5.825 1.631
162 H ASN 25 H ASN 25 -7.427 2.550 1.641
163 HA ASN 25 HA ASN 25 -4.708 2.662 2.293
164 HB2 ASN 25 1HB ASN 25 -4.672 4.611 0.659
165 HB3 ASN 25 2HB ASN 25 -5.322 3.096 0.039
166 HD21 ASN 25 1HD2 ASN 25 -5.780 6.321 0.095
167 HD22 ASN 25 2HD2 ASN 25 -7.481 6.389 -0.200
168 H SER 26 H SER 26 -7.308 5.010 2.860
169 HA SER 26 HA SER 26 -6.061 7.189 3.801
170 HB2 SER 26 1HB SER 26 -7.923 7.515 5.387
171 HB3 SER 26 2HB SER 26 -8.500 6.946 3.820
172 HG SER 26 HG SER 26 -8.609 5.736 6.280
173 H TYR 27 H TYR 27 -6.538 4.214 5.677
174 HA TYR 27 HA TYR 27 -5.202 5.185 7.997
175 HB2 TYR 27 1HB TYR 27 -5.745 2.327 7.167
176 HB3 TYR 27 2HB TYR 27 -5.304 2.870 8.782
177 HD1 TYR 27 HD2 TYR 27 -6.934 4.884 9.628
178 HD2 TYR 27 HD1 TYR 27 -7.967 1.825 6.857
179 HE1 TYR 27 HE2 TYR 27 -9.311 5.200 10.176
180 HE2 TYR 27 HE1 TYR 27 -10.347 2.133 7.396
181 HH TYR 27 HH TYR 27 -11.445 4.758 9.432
182 H LEU 28 H LEU 28 -4.246 2.841 5.486
183 HA LEU 28 HA LEU 28 -1.738 2.177 6.269
184 HB2 LEU 28 1HB LEU 28 -2.508 1.178 4.312
185 HB3 LEU 28 2HB LEU 28 -2.867 2.727 3.552
186 HG LEU 28 HG LEU 28 -0.407 3.124 3.372
187 HD11 LEU 28 1HD1 LEU 28 -0.281 0.260 4.301
188 HD12 LEU 28 2HD1 LEU 28 0.389 1.672 5.117
189 HD13 LEU 28 3HD1 LEU 28 1.061 1.144 3.575
190 HD21 LEU 28 3HD2 LEU 28 -0.143 1.798 1.423
191 HD22 LEU 28 1HD2 LEU 28 -1.861 2.176 1.547
192 HD23 LEU 28 2HD2 LEU 28 -1.273 0.580 2.014
193 H SER 29 H SER 29 -2.781 5.263 5.025
194 HA SER 29 HA SER 29 -0.246 6.347 4.425
195 HB2 SER 29 1HB SER 29 -2.349 7.352 3.629
196 HB3 SER 29 2HB SER 29 -2.771 7.782 5.286
197 HG SER 29 HG SER 29 -0.691 8.970 5.253
198 H ARG 30 H ARG 30 -2.300 6.722 7.314
199 HA ARG 30 HA ARG 30 -0.567 8.286 8.819
200 HB2 ARG 30 1HB ARG 30 -1.987 7.922 10.585
201 HB3 ARG 30 2HB ARG 30 -3.029 7.435 9.254
202 HG2 ARG 30 1HG ARG 30 -2.114 5.066 9.697
203 HG3 ARG 30 2HG ARG 30 -1.602 5.728 11.251
204 HD2 ARG 30 1HD ARG 30 -3.751 6.022 11.989
205 HD3 ARG 30 2HD ARG 30 -4.399 6.210 10.360
206 HE ARG 30 HE ARG 30 -4.702 3.939 10.248
207 HH11 ARG 30 1HH1 ARG 30 -2.660 4.703 12.963
208 HH12 ARG 30 2HH1 ARG 30 -2.696 3.096 13.609
209 HH21 ARG 30 1HH2 ARG 30 -4.757 1.819 11.089
210 HH22 ARG 30 2HH2 ARG 30 -3.888 1.456 12.542
211 H HIS 31 H HIS 31 -0.274 5.016 7.896
212 HA HIS 31 HA HIS 31 1.583 4.371 10.052
213 HB2 HIS 31 1HB HIS 31 0.244 2.519 9.638
214 HB3 HIS 31 2HB HIS 31 0.223 2.794 7.899
215 HD1 HIS 31 HD1 HIS 31 2.568 1.564 10.609
216 HD2 HIS 31 HD2 HIS 31 2.053 1.337 6.493
217 HE1 HIS 31 HE1 HIS 31 4.272 -0.103 9.809
218 H GLN 32 H GLN 32 1.690 3.878 6.521
219 HA GLN 32 HA GLN 32 4.296 3.490 6.075
220 HB2 GLN 32 1HB GLN 32 2.254 5.036 4.552
221 HB3 GLN 32 2HB GLN 32 3.927 5.132 4.017
222 HG2 GLN 32 1HG GLN 32 3.861 2.554 4.103
223 HG3 GLN 32 2HG GLN 32 2.110 2.762 4.108
224 HE21 GLN 32 1HE2 GLN 32 2.146 1.626 2.087
225 HE22 GLN 32 2HE2 GLN 32 2.519 2.471 0.628
226 H ARG 33 H ARG 33 2.858 6.566 6.967
227 HA ARG 33 HA ARG 33 4.838 8.367 6.438
228 HB2 ARG 33 1HB ARG 33 3.983 9.720 8.201
229 HB3 ARG 33 2HB ARG 33 2.621 8.820 7.547
230 HG2 ARG 33 1HG ARG 33 2.822 7.218 9.410
231 HG3 ARG 33 2HG ARG 33 4.125 8.202 10.080
232 HD2 ARG 33 1HD ARG 33 2.367 10.126 9.907
233 HD3 ARG 33 2HD ARG 33 1.206 8.799 9.870
234 HE ARG 33 HE ARG 33 1.585 8.461 12.098
235 HH11 ARG 33 1HH1 ARG 33 4.172 10.390 10.792
236 HH12 ARG 33 2HH1 ARG 33 4.891 10.706 12.336
237 HH21 ARG 33 1HH2 ARG 33 2.522 8.870 14.137
238 HH22 ARG 33 2HH2 ARG 33 3.952 9.840 14.238
239 H ILE 34 H ILE 34 4.641 6.258 9.295
240 HA ILE 34 HA ILE 34 6.757 7.043 10.781
241 HB ILE 34 HB ILE 34 6.994 4.829 11.614
242 HG12 ILE 34 1HG1 ILE 34 5.502 3.791 9.200
243 HG13 ILE 34 2HG1 ILE 34 7.258 3.791 9.324
244 HG21 ILE 34 1HG2 ILE 34 4.987 5.042 12.534
245 HG22 ILE 34 2HG2 ILE 34 4.433 6.000 11.162
246 HG23 ILE 34 3HG2 ILE 34 4.277 4.243 11.131
247 HD11 ILE 34 3HD1 ILE 34 7.132 1.822 10.312
248 HD12 ILE 34 1HD1 ILE 34 6.309 2.588 11.670
249 HD13 ILE 34 2HD1 ILE 34 5.371 1.906 10.341
250 H HIS 35 H HIS 35 6.896 5.490 7.662
251 HA HIS 35 HA HIS 35 9.715 4.926 7.791
252 HB2 HIS 35 1HB HIS 35 7.913 4.993 5.363
253 HB3 HIS 35 2HB HIS 35 9.493 4.224 5.480
254 HD1 HIS 35 HD1 HIS 35 9.315 2.515 7.896
255 HD2 HIS 35 HD2 HIS 35 6.099 3.000 5.311
256 HE1 HIS 35 HE1 HIS 35 7.846 0.508 8.267
257 H THR 36 H THR 36 7.833 7.041 5.618
258 HA THR 36 HA THR 36 9.812 8.464 4.442
259 HB THR 36 HB THR 36 8.296 10.290 4.116
260 HG1 THR 36 HG1 THR 36 6.839 9.198 6.312
261 HG21 THR 36 3HG2 THR 36 7.060 9.005 2.782
262 HG22 THR 36 1HG2 THR 36 6.096 8.476 4.160
263 HG23 THR 36 2HG2 THR 36 7.549 7.585 3.706
264 H GLY 37 H GLY 37 8.440 9.128 7.652
265 HA2 GLY 37 1HA GLY 37 9.953 11.441 8.194
266 HA3 GLY 37 2HA GLY 37 9.215 10.397 9.400
267 H GLU 38 H GLU 38 10.553 8.044 9.072
268 HA GLU 38 HA GLU 38 12.921 8.476 10.496
269 HB2 GLU 38 1HB GLU 38 11.536 6.350 10.384
270 HB3 GLU 38 2HB GLU 38 12.327 6.019 8.849
271 HG2 GLU 38 1HG GLU 38 14.330 5.542 9.819
272 HG3 GLU 38 2HG GLU 38 14.042 6.603 11.197
273 H LYS 39 H LYS 39 15.012 8.724 9.932
274 HA LYS 39 HA LYS 39 15.648 9.569 7.303
275 HB2 LYS 39 1HB LYS 39 17.908 9.829 8.112
276 HB3 LYS 39 2HB LYS 39 16.791 10.391 9.349
277 HG2 LYS 39 1HG LYS 39 17.043 7.962 10.272
278 HG3 LYS 39 2HG LYS 39 18.532 7.973 9.324
279 HD2 LYS 39 1HD LYS 39 17.833 10.132 11.304
280 HD3 LYS 39 2HD LYS 39 18.746 8.686 11.743
281 HE2 LYS 39 1HE LYS 39 20.390 9.274 9.963
282 HE3 LYS 39 2HE LYS 39 19.516 10.785 9.720
283 HZ1 LYS 39 3HZ LYS 39 20.898 9.915 12.199
284 HZ2 LYS 39 1HZ LYS 39 19.944 11.307 12.078
285 HZ3 LYS 39 2HZ LYS 39 21.362 11.173 11.167
286 HA PRO 40 HA PRO 40 16.619 5.751 5.337
287 HB2 PRO 40 1HB PRO 40 18.294 6.672 3.410
288 HB3 PRO 40 2HB PRO 40 16.545 6.922 3.362
289 HG2 PRO 40 1HG PRO 40 18.704 8.800 4.242
290 HG3 PRO 40 2HG PRO 40 17.274 9.127 3.246
291 HD2 PRO 40 1HD PRO 40 17.386 9.741 5.881
292 HD3 PRO 40 2HD PRO 40 15.877 9.266 5.075
293 H SER 41 H SER 41 18.335 4.260 4.996
294 HA SER 41 HA SER 41 20.609 4.722 6.773
295 HB2 SER 41 1HB SER 41 19.395 2.241 5.566
296 HB3 SER 41 2HB SER 41 20.975 2.213 6.348
297 HG SER 41 HG SER 41 18.979 1.754 7.655
298 H GLY 42 H GLY 42 19.886 3.802 3.432
299 HA2 GLY 42 1HA GLY 42 22.291 5.003 2.473
300 HA3 GLY 42 2HA GLY 42 22.416 3.250 2.484
301 HA PRO 43 HA PRO 43 18.938 4.575 -0.655
302 HB2 PRO 43 1HB PRO 43 19.206 7.104 -1.605
303 HB3 PRO 43 2HB PRO 43 18.211 6.707 -0.200
304 HG2 PRO 43 1HG PRO 43 20.989 7.817 -0.300
305 HG3 PRO 43 2HG PRO 43 19.634 8.284 0.745
306 HD2 PRO 43 1HD PRO 43 21.643 6.679 1.594
307 HD3 PRO 43 2HD PRO 43 19.978 6.522 2.191
308 H SER 44 H SER 44 20.368 3.089 -1.743
309 HA SER 44 HA SER 44 22.218 4.355 -3.649
310 HB2 SER 44 1HB SER 44 22.106 1.566 -2.501
311 HB3 SER 44 2HB SER 44 23.088 1.964 -3.911
312 HG SER 44 HG SER 44 24.126 3.559 -2.591
313 H SER 45 H SER 45 19.641 1.943 -3.371
314 HA SER 45 HA SER 45 19.498 1.180 -6.051
315 HB2 SER 45 1HB SER 45 17.357 0.267 -5.545
316 HB3 SER 45 2HB SER 45 18.305 0.125 -4.065
317 HG SER 45 HG SER 45 16.976 1.442 -3.105
318 H GLY 46 H GLY 46 17.449 1.646 -7.421
319 HA2 GLY 46 1HA GLY 46 16.084 4.069 -7.300
320 HA3 GLY 46 2HA GLY 46 17.562 4.365 -8.204
Start of MODEL 11
1 H1 GLY 1 H GLY 1 5.211 -22.471 13.924
2 HA2 GLY 1 1HA GLY 1 3.900 -25.004 13.313
3 HA3 GLY 1 2HA GLY 1 3.343 -24.166 14.754
4 H SER 2 H SER 2 3.293 -21.569 14.038
5 HA SER 2 HA SER 2 0.902 -21.164 12.826
6 HB2 SER 2 1HB SER 2 1.616 -18.858 12.364
7 HB3 SER 2 2HB SER 2 2.173 -19.383 13.953
8 HG SER 2 HG SER 2 3.633 -18.900 11.617
9 H SER 3 H SER 3 0.141 -21.747 10.914
10 HA SER 3 HA SER 3 1.976 -21.790 8.612
11 HB2 SER 3 1HB SER 3 -0.555 -23.364 9.134
12 HB3 SER 3 2HB SER 3 0.316 -23.379 7.601
13 HG SER 3 HG SER 3 0.783 -24.860 9.723
14 H GLY 4 H GLY 4 0.852 -21.404 6.470
15 HA2 GLY 4 1HA GLY 4 -0.003 -18.860 6.161
16 HA3 GLY 4 2HA GLY 4 -0.524 -20.154 5.093
17 H SER 5 H SER 5 -1.474 -17.880 7.427
18 HA SER 5 HA SER 5 -3.906 -19.167 8.238
19 HB2 SER 5 1HB SER 5 -2.702 -17.462 9.623
20 HB3 SER 5 2HB SER 5 -3.183 -16.236 8.449
21 HG SER 5 HG SER 5 -4.710 -17.595 10.339
22 H SER 6 H SER 6 -5.585 -19.439 6.940
23 HA SER 6 HA SER 6 -5.963 -17.676 4.649
24 HB2 SER 6 1HB SER 6 -6.127 -20.024 4.156
25 HB3 SER 6 2HB SER 6 -7.286 -20.273 5.462
26 HG SER 6 HG SER 6 -7.712 -18.698 3.137
27 H GLY 7 H GLY 7 -7.073 -15.867 5.001
28 HA2 GLY 7 1HA GLY 7 -9.745 -15.723 5.590
29 HA3 GLY 7 2HA GLY 7 -8.950 -15.600 7.152
30 H THR 8 H THR 8 -8.139 -13.683 7.783
31 HA THR 8 HA THR 8 -8.597 -11.408 6.026
32 HB THR 8 HB THR 8 -7.655 -11.378 8.897
33 HG1 THR 8 HG1 THR 8 -10.063 -10.727 9.042
34 HG21 THR 8 3HG2 THR 8 -8.676 -9.083 8.823
35 HG22 THR 8 1HG2 THR 8 -8.825 -9.276 7.077
36 HG23 THR 8 2HG2 THR 8 -7.231 -9.281 7.832
37 H GLY 9 H GLY 9 -7.014 -10.843 4.681
38 HA2 GLY 9 1HA GLY 9 -4.516 -9.939 5.523
39 HA3 GLY 9 2HA GLY 9 -4.306 -11.602 4.996
40 H GLU 10 H GLU 10 -6.236 -11.563 2.901
41 HA GLU 10 HA GLU 10 -4.628 -10.446 0.827
42 HB2 GLU 10 1HB GLU 10 -7.395 -11.659 0.730
43 HB3 GLU 10 2HB GLU 10 -6.423 -11.258 -0.679
44 HG2 GLU 10 1HG GLU 10 -6.121 -13.548 -0.385
45 HG3 GLU 10 2HG GLU 10 -4.665 -12.819 0.290
46 H LYS 11 H LYS 11 -4.591 -8.210 1.355
47 HA LYS 11 HA LYS 11 -7.083 -6.791 0.675
48 HB2 LYS 11 1HB LYS 11 -4.860 -5.781 2.456
49 HB3 LYS 11 2HB LYS 11 -6.388 -4.975 2.124
50 HG2 LYS 11 1HG LYS 11 -6.477 -7.701 3.296
51 HG3 LYS 11 2HG LYS 11 -5.990 -6.358 4.334
52 HD2 LYS 11 1HD LYS 11 -8.247 -6.282 4.664
53 HD3 LYS 11 2HD LYS 11 -8.130 -5.231 3.250
54 HE2 LYS 11 1HE LYS 11 -8.391 -7.548 1.983
55 HE3 LYS 11 2HE LYS 11 -9.188 -7.997 3.490
56 HZ1 LYS 11 3HZ LYS 11 -10.960 -6.763 2.995
57 HZ2 LYS 11 1HZ LYS 11 -10.367 -6.729 1.411
58 HZ3 LYS 11 2HZ LYS 11 -10.034 -5.450 2.465
59 HA PRO 12 HA PRO 12 -4.945 -5.001 -2.727
60 HB2 PRO 12 1HB PRO 12 -6.388 -2.720 -3.020
61 HB3 PRO 12 2HB PRO 12 -7.006 -4.313 -3.475
62 HG2 PRO 12 1HG PRO 12 -7.520 -2.720 -0.993
63 HG3 PRO 12 2HG PRO 12 -8.661 -3.647 -1.984
64 HD2 PRO 12 1HD PRO 12 -7.639 -4.599 0.336
65 HD3 PRO 12 2HD PRO 12 -8.053 -5.655 -1.030
66 H TYR 13 H TYR 13 -4.987 -3.622 0.373
67 HA TYR 13 HA TYR 13 -2.968 -1.629 -0.428
68 HB2 TYR 13 1HB TYR 13 -4.789 -1.508 1.985
69 HB3 TYR 13 2HB TYR 13 -3.640 -0.275 1.477
70 HD1 TYR 13 HD1 TYR 13 -4.103 1.126 -0.479
71 HD2 TYR 13 HD2 TYR 13 -6.920 -1.757 0.884
72 HE1 TYR 13 HE1 TYR 13 -5.849 2.198 -1.839
73 HE2 TYR 13 HE2 TYR 13 -8.674 -0.694 -0.474
74 HH TYR 13 HH TYR 13 -8.742 0.761 -2.581
75 H LYS 14 H LYS 14 -1.034 -2.478 -0.002
76 HA LYS 14 HA LYS 14 -0.545 -3.503 2.703
77 HB2 LYS 14 1HB LYS 14 -0.654 -5.540 1.581
78 HB3 LYS 14 2HB LYS 14 0.036 -4.879 0.105
79 HG2 LYS 14 1HG LYS 14 2.208 -4.650 1.332
80 HG3 LYS 14 2HG LYS 14 1.471 -5.549 2.661
81 HD2 LYS 14 1HD LYS 14 1.311 -7.505 1.413
82 HD3 LYS 14 2HD LYS 14 1.436 -6.649 -0.126
83 HE2 LYS 14 1HE LYS 14 3.801 -6.030 0.619
84 HE3 LYS 14 2HE LYS 14 3.605 -7.266 1.860
85 HZ1 LYS 14 3HZ LYS 14 3.187 -8.892 0.117
86 HZ2 LYS 14 1HZ LYS 14 4.696 -8.158 -0.094
87 HZ3 LYS 14 2HZ LYS 14 3.392 -7.704 -1.070
88 H CYS 15 H CYS 15 1.358 -2.879 3.595
89 HA CYS 15 HA CYS 15 2.798 -0.760 2.330
90 HB2 CYS 15 1HB CYS 15 2.396 -0.875 4.782
91 HB3 CYS 15 2HB CYS 15 3.476 -2.263 4.866
92 H ASN 16 H ASN 16 4.971 -0.715 1.697
93 HA ASN 16 HA ASN 16 6.047 -3.348 0.954
94 HB2 ASN 16 1HB ASN 16 6.740 -0.647 -0.220
95 HB3 ASN 16 2HB ASN 16 7.253 -2.219 -0.824
96 HD21 ASN 16 1HD2 ASN 16 6.220 -0.989 -2.734
97 HD22 ASN 16 2HD2 ASN 16 4.558 -1.356 -3.031
98 H GLU 17 H GLU 17 6.728 -0.391 2.662
99 HA GLU 17 HA GLU 17 9.513 -0.672 2.942
100 HB2 GLU 17 1HB GLU 17 7.442 0.715 4.639
101 HB3 GLU 17 2HB GLU 17 9.161 0.779 5.003
102 HG2 GLU 17 1HG GLU 17 8.460 2.758 3.799
103 HG3 GLU 17 2HG GLU 17 9.591 1.809 2.836
104 H CYS 18 H CYS 18 6.831 -1.733 5.012
105 HA CYS 18 HA CYS 18 8.738 -3.442 6.470
106 HB2 CYS 18 1HB CYS 18 7.226 -3.346 8.378
107 HB3 CYS 18 2HB CYS 18 7.665 -1.717 7.875
108 H GLY 19 H GLY 19 5.494 -3.267 5.066
109 HA2 GLY 19 1HA GLY 19 4.912 -5.271 3.697
110 HA3 GLY 19 2HA GLY 19 5.433 -6.222 5.080
111 H LYS 20 H LYS 20 4.224 -4.370 7.009
112 HA LYS 20 HA LYS 20 1.908 -5.557 7.654
113 HB2 LYS 20 1HB LYS 20 2.871 -2.763 7.998
114 HB3 LYS 20 2HB LYS 20 1.185 -3.087 8.377
115 HG2 LYS 20 1HG LYS 20 1.711 -4.491 10.134
116 HG3 LYS 20 2HG LYS 20 3.333 -4.819 9.520
117 HD2 LYS 20 1HD LYS 20 4.099 -2.658 10.159
118 HD3 LYS 20 2HD LYS 20 2.457 -2.112 10.511
119 HE2 LYS 20 1HE LYS 20 3.443 -2.558 12.604
120 HE3 LYS 20 2HE LYS 20 2.383 -3.928 12.277
121 HZ1 LYS 20 3HZ LYS 20 5.331 -3.814 12.162
122 HZ2 LYS 20 1HZ LYS 20 4.474 -5.019 11.340
123 HZ3 LYS 20 2HZ LYS 20 4.346 -4.888 13.022
124 H VAL 21 H VAL 21 -0.197 -5.596 7.044
125 HA VAL 21 HA VAL 21 -0.872 -4.155 4.570
126 HB VAL 21 HB VAL 21 -2.257 -6.571 5.740
127 HG11 VAL 21 1HG1 VAL 21 -3.672 -5.187 4.303
128 HG12 VAL 21 2HG1 VAL 21 -2.466 -5.286 3.018
129 HG13 VAL 21 3HG1 VAL 21 -3.314 -6.740 3.549
130 HG21 VAL 21 3HG2 VAL 21 -0.192 -7.430 5.136
131 HG22 VAL 21 1HG2 VAL 21 -1.137 -7.657 3.665
132 HG23 VAL 21 2HG2 VAL 21 -0.005 -6.310 3.787
133 H PHE 22 H PHE 22 -3.003 -3.269 4.338
134 HA PHE 22 HA PHE 22 -4.438 -2.770 6.848
135 HB2 PHE 22 1HB PHE 22 -3.661 -0.631 4.853
136 HB3 PHE 22 2HB PHE 22 -4.687 -0.388 6.263
137 HD1 PHE 22 HD1 PHE 22 -1.298 -1.650 5.364
138 HD2 PHE 22 HD2 PHE 22 -3.729 0.379 8.208
139 HE1 PHE 22 HE1 PHE 22 0.696 -1.176 6.725
140 HE2 PHE 22 HE2 PHE 22 -1.739 0.857 9.573
141 HZ PHE 22 HZ PHE 22 0.477 0.081 8.832
142 H ARG 23 H ARG 23 -6.649 -2.084 6.558
143 HA ARG 23 HA ARG 23 -7.913 -3.449 4.378
144 HB2 ARG 23 1HB ARG 23 -9.062 -1.723 6.578
145 HB3 ARG 23 2HB ARG 23 -10.020 -2.654 5.434
146 HG2 ARG 23 1HG ARG 23 -9.991 -4.116 7.167
147 HG3 ARG 23 2HG ARG 23 -8.518 -4.632 6.344
148 HD2 ARG 23 1HD ARG 23 -7.137 -3.595 7.896
149 HD3 ARG 23 2HD ARG 23 -8.411 -2.510 8.450
150 HE ARG 23 HE ARG 23 -8.858 -5.319 8.981
151 HH11 ARG 23 1HH1 ARG 23 -7.606 -2.291 10.157
152 HH12 ARG 23 2HH1 ARG 23 -7.706 -2.748 11.825
153 HH21 ARG 23 1HH2 ARG 23 -8.995 -5.932 11.174
154 HH22 ARG 23 2HH2 ARG 23 -8.495 -4.820 12.403
155 H HIS 24 H HIS 24 -7.658 -0.053 5.393
156 HA HIS 24 HA HIS 24 -8.488 0.726 2.674
157 HB2 HIS 24 1HB HIS 24 -9.963 1.319 4.774
158 HB3 HIS 24 2HB HIS 24 -8.772 2.598 4.992
159 HD1 HIS 24 HD1 HIS 24 -9.274 4.704 3.799
160 HD2 HIS 24 HD2 HIS 24 -11.156 1.444 2.040
161 HE1 HIS 24 HE1 HIS 24 -10.689 5.660 1.953
162 H ASN 25 H ASN 25 -7.458 2.558 1.747
163 HA ASN 25 HA ASN 25 -4.676 2.685 2.239
164 HB2 ASN 25 1HB ASN 25 -5.160 3.165 0.037
165 HB3 ASN 25 2HB ASN 25 -6.587 4.113 0.445
166 HD21 ASN 25 1HD2 ASN 25 -6.276 6.070 -0.338
167 HD22 ASN 25 2HD2 ASN 25 -4.856 7.032 -0.124
168 H SER 26 H SER 26 -7.336 4.923 2.939
169 HA SER 26 HA SER 26 -6.131 7.153 3.823
170 HB2 SER 26 1HB SER 26 -8.375 5.669 5.207
171 HB3 SER 26 2HB SER 26 -7.917 7.332 5.575
172 HG SER 26 HG SER 26 -9.663 6.792 3.899
173 H TYR 27 H TYR 27 -6.647 4.319 5.927
174 HA TYR 27 HA TYR 27 -5.153 5.303 8.095
175 HB2 TYR 27 1HB TYR 27 -5.752 2.442 7.318
176 HB3 TYR 27 2HB TYR 27 -5.134 2.955 8.884
177 HD1 TYR 27 HD2 TYR 27 -6.735 5.319 9.477
178 HD2 TYR 27 HD1 TYR 27 -7.898 1.640 7.684
179 HE1 TYR 27 HE2 TYR 27 -9.036 5.664 10.276
180 HE2 TYR 27 HE1 TYR 27 -10.202 1.975 8.477
181 HH TYR 27 HH TYR 27 -11.095 4.850 10.367
182 H LEU 28 H LEU 28 -4.254 2.945 5.579
183 HA LEU 28 HA LEU 28 -1.707 2.327 6.279
184 HB2 LEU 28 1HB LEU 28 -2.659 1.336 4.348
185 HB3 LEU 28 2HB LEU 28 -2.844 2.899 3.555
186 HG LEU 28 HG LEU 28 -0.314 3.020 3.502
187 HD11 LEU 28 1HD1 LEU 28 -0.352 0.054 3.834
188 HD12 LEU 28 2HD1 LEU 28 -0.213 1.096 5.250
189 HD13 LEU 28 3HD1 LEU 28 0.995 1.184 3.969
190 HD21 LEU 28 3HD2 LEU 28 -1.648 2.512 1.528
191 HD22 LEU 28 1HD2 LEU 28 -1.682 0.806 1.976
192 HD23 LEU 28 2HD2 LEU 28 -0.155 1.571 1.535
193 H SER 29 H SER 29 -2.717 5.246 4.530
194 HA SER 29 HA SER 29 -0.228 6.363 4.046
195 HB2 SER 29 1HB SER 29 -2.287 7.295 3.114
196 HB3 SER 29 2HB SER 29 -2.816 7.785 4.724
197 HG SER 29 HG SER 29 -1.880 9.545 3.705
198 H ARG 30 H ARG 30 -2.269 6.636 6.932
199 HA ARG 30 HA ARG 30 -0.641 8.441 8.342
200 HB2 ARG 30 1HB ARG 30 -2.393 6.303 9.558
201 HB3 ARG 30 2HB ARG 30 -1.898 7.821 10.295
202 HG2 ARG 30 1HG ARG 30 -3.461 7.866 7.756
203 HG3 ARG 30 2HG ARG 30 -4.284 7.560 9.287
204 HD2 ARG 30 1HD ARG 30 -2.546 9.948 8.673
205 HD3 ARG 30 2HD ARG 30 -4.309 9.940 8.683
206 HE ARG 30 HE ARG 30 -3.051 9.089 11.147
207 HH11 ARG 30 1HH1 ARG 30 -4.402 11.727 9.321
208 HH12 ARG 30 2HH1 ARG 30 -4.712 12.706 10.716
209 HH21 ARG 30 1HH2 ARG 30 -3.455 10.368 12.992
210 HH22 ARG 30 2HH2 ARG 30 -4.173 11.932 12.804
211 H HIS 31 H HIS 31 -0.445 4.998 7.870
212 HA HIS 31 HA HIS 31 1.461 4.572 9.989
213 HB2 HIS 31 1HB HIS 31 0.228 2.649 9.599
214 HB3 HIS 31 2HB HIS 31 0.232 2.875 7.853
215 HD1 HIS 31 HD1 HIS 31 2.654 1.920 10.619
216 HD2 HIS 31 HD2 HIS 31 2.061 1.352 6.546
217 HE1 HIS 31 HE1 HIS 31 4.418 0.275 9.905
218 H GLN 32 H GLN 32 1.635 4.323 6.432
219 HA GLN 32 HA GLN 32 4.260 3.856 6.025
220 HB2 GLN 32 1HB GLN 32 2.447 5.761 4.552
221 HB3 GLN 32 2HB GLN 32 4.071 5.383 3.993
222 HG2 GLN 32 1HG GLN 32 2.143 3.178 4.557
223 HG3 GLN 32 2HG GLN 32 2.033 4.085 3.050
224 HE21 GLN 32 1HE2 GLN 32 2.484 1.512 2.768
225 HE22 GLN 32 2HE2 GLN 32 4.128 1.183 2.349
226 H ARG 33 H ARG 33 2.897 6.734 7.378
227 HA ARG 33 HA ARG 33 4.801 8.654 6.927
228 HB2 ARG 33 1HB ARG 33 3.379 8.123 9.543
229 HB3 ARG 33 2HB ARG 33 4.153 9.635 9.084
230 HG2 ARG 33 1HG ARG 33 2.504 9.423 7.023
231 HG3 ARG 33 2HG ARG 33 1.584 8.465 8.185
232 HD2 ARG 33 1HD ARG 33 0.750 10.570 8.584
233 HD3 ARG 33 2HD ARG 33 2.049 10.486 9.774
234 HE ARG 33 HE ARG 33 3.211 12.087 8.591
235 HH11 ARG 33 1HH1 ARG 33 0.476 10.986 6.740
236 HH12 ARG 33 2HH1 ARG 33 0.606 12.242 5.554
237 HH21 ARG 33 1HH2 ARG 33 3.393 13.747 7.036
238 HH22 ARG 33 2HH2 ARG 33 2.267 13.812 5.723
239 H ILE 34 H ILE 34 4.816 6.270 9.575
240 HA ILE 34 HA ILE 34 7.139 6.952 10.850
241 HB ILE 34 HB ILE 34 7.342 4.668 11.598
242 HG12 ILE 34 1HG1 ILE 34 5.167 3.729 9.781
243 HG13 ILE 34 2HG1 ILE 34 6.797 3.860 9.129
244 HG21 ILE 34 1HG2 ILE 34 5.644 5.426 12.864
245 HG22 ILE 34 2HG2 ILE 34 4.726 6.000 11.473
246 HG23 ILE 34 3HG2 ILE 34 4.681 4.293 11.916
247 HD11 ILE 34 3HD1 ILE 34 7.598 2.163 10.427
248 HD12 ILE 34 1HD1 ILE 34 6.401 2.418 11.696
249 HD13 ILE 34 2HD1 ILE 34 5.935 1.630 10.188
250 H HIS 35 H HIS 35 6.782 5.551 7.706
251 HA HIS 35 HA HIS 35 9.570 4.766 7.522
252 HB2 HIS 35 1HB HIS 35 7.349 4.744 5.469
253 HB3 HIS 35 2HB HIS 35 8.971 4.117 5.196
254 HD1 HIS 35 HD1 HIS 35 9.458 2.474 7.675
255 HD2 HIS 35 HD2 HIS 35 5.812 2.530 5.686
256 HE1 HIS 35 HE1 HIS 35 8.312 0.330 8.314
257 H THR 36 H THR 36 7.419 7.068 5.856
258 HA THR 36 HA THR 36 9.616 8.375 4.544
259 HB THR 36 HB THR 36 7.903 10.009 3.787
260 HG1 THR 36 HG1 THR 36 5.734 9.622 4.369
261 HG21 THR 36 3HG2 THR 36 6.680 8.480 2.363
262 HG22 THR 36 1HG2 THR 36 7.040 7.135 3.444
263 HG23 THR 36 2HG2 THR 36 8.340 7.912 2.541
264 H GLY 37 H GLY 37 10.929 9.006 6.329
265 HA2 GLY 37 1HA GLY 37 10.403 11.653 7.240
266 HA3 GLY 37 2HA GLY 37 10.170 10.489 8.535
267 H GLU 38 H GLU 38 12.083 8.792 8.556
268 HA GLU 38 HA GLU 38 14.625 10.207 8.160
269 HB2 GLU 38 1HB GLU 38 13.696 10.307 10.569
270 HB3 GLU 38 2HB GLU 38 14.111 8.601 10.649
271 HG2 GLU 38 1HG GLU 38 15.848 10.049 11.597
272 HG3 GLU 38 2HG GLU 38 16.428 9.094 10.234
273 H LYS 39 H LYS 39 14.935 8.839 6.348
274 HA LYS 39 HA LYS 39 15.047 5.972 6.753
275 HB2 LYS 39 1HB LYS 39 14.267 7.170 4.619
276 HB3 LYS 39 2HB LYS 39 15.973 7.454 4.300
277 HG2 LYS 39 1HG LYS 39 16.378 5.043 4.322
278 HG3 LYS 39 2HG LYS 39 14.663 4.762 4.635
279 HD2 LYS 39 1HD LYS 39 15.673 6.265 2.228
280 HD3 LYS 39 2HD LYS 39 15.396 4.521 2.231
281 HE2 LYS 39 1HE LYS 39 13.303 6.577 2.925
282 HE3 LYS 39 2HE LYS 39 13.498 5.863 1.325
283 HZ1 LYS 39 3HZ LYS 39 12.216 4.206 1.997
284 HZ2 LYS 39 1HZ LYS 39 12.149 4.819 3.573
285 HZ3 LYS 39 2HZ LYS 39 13.392 3.762 3.130
286 HA PRO 40 HA PRO 40 19.309 5.836 7.878
287 HB2 PRO 40 1HB PRO 40 19.793 3.232 7.281
288 HB3 PRO 40 2HB PRO 40 18.863 3.736 8.697
289 HG2 PRO 40 1HG PRO 40 17.888 2.763 6.039
290 HG3 PRO 40 2HG PRO 40 17.308 2.350 7.663
291 HD2 PRO 40 1HD PRO 40 16.041 4.140 6.075
292 HD3 PRO 40 2HD PRO 40 16.061 4.280 7.845
293 H SER 41 H SER 41 21.394 5.675 6.963
294 HA SER 41 HA SER 41 22.824 6.301 5.267
295 HB2 SER 41 1HB SER 41 23.158 4.454 3.644
296 HB3 SER 41 2HB SER 41 23.031 3.872 5.304
297 HG SER 41 HG SER 41 21.353 2.761 4.729
298 H GLY 42 H GLY 42 20.599 7.830 4.981
299 HA2 GLY 42 1HA GLY 42 20.627 8.366 2.160
300 HA3 GLY 42 2HA GLY 42 19.079 7.745 2.712
301 HA PRO 43 HA PRO 43 19.816 12.413 3.667
302 HB2 PRO 43 1HB PRO 43 18.967 13.577 1.366
303 HB3 PRO 43 2HB PRO 43 20.660 13.168 1.668
304 HG2 PRO 43 1HG PRO 43 18.604 11.675 0.086
305 HG3 PRO 43 2HG PRO 43 20.305 11.990 -0.305
306 HD2 PRO 43 1HD PRO 43 19.454 9.620 0.690
307 HD3 PRO 43 2HD PRO 43 21.063 10.283 1.045
308 H SER 44 H SER 44 18.058 12.005 5.061
309 HA SER 44 HA SER 44 15.378 11.832 3.991
310 HB2 SER 44 1HB SER 44 14.667 11.609 6.296
311 HB3 SER 44 2HB SER 44 16.084 10.591 6.042
312 HG SER 44 HG SER 44 17.278 11.914 7.249
313 H SER 45 H SER 45 17.274 14.172 5.868
314 HA SER 45 HA SER 45 16.018 16.407 4.678
315 HB2 SER 45 1HB SER 45 14.163 15.618 6.178
316 HB3 SER 45 2HB SER 45 15.218 15.928 7.556
317 HG SER 45 HG SER 45 14.792 17.964 5.677
318 H GLY 46 H GLY 46 16.804 18.452 5.548
319 HA2 GLY 46 1HA GLY 46 19.534 18.214 6.414
320 HA3 GLY 46 2HA GLY 46 18.675 19.707 6.070
Start of MODEL 12
1 H1 GLY 1 H GLY 1 14.414 -14.547 15.532
2 HA2 GLY 1 1HA GLY 1 13.017 -16.494 17.142
3 HA3 GLY 1 2HA GLY 1 12.216 -14.932 17.070
4 H SER 2 H SER 2 10.442 -15.504 15.899
5 HA SER 2 HA SER 2 10.824 -15.848 13.066
6 HB2 SER 2 1HB SER 2 9.720 -17.944 12.801
7 HB3 SER 2 2HB SER 2 10.945 -18.190 14.045
8 HG SER 2 HG SER 2 8.987 -17.536 15.464
9 H SER 3 H SER 3 8.859 -15.581 11.856
10 HA SER 3 HA SER 3 6.387 -15.000 13.173
11 HB2 SER 3 1HB SER 3 6.256 -12.657 12.850
12 HB3 SER 3 2HB SER 3 7.842 -12.930 13.572
13 HG SER 3 HG SER 3 8.405 -13.084 11.126
14 H GLY 4 H GLY 4 4.663 -14.581 11.696
15 HA2 GLY 4 1HA GLY 4 4.422 -14.046 9.149
16 HA3 GLY 4 2HA GLY 4 5.265 -15.581 9.005
17 H SER 5 H SER 5 2.349 -14.315 8.679
18 HA SER 5 HA SER 5 0.983 -16.710 9.721
19 HB2 SER 5 1HB SER 5 0.238 -14.765 10.962
20 HB3 SER 5 2HB SER 5 -0.084 -13.889 9.466
21 HG SER 5 HG SER 5 -1.347 -16.350 9.835
22 H SER 6 H SER 6 -0.459 -17.755 8.395
23 HA SER 6 HA SER 6 -0.429 -16.900 5.579
24 HB2 SER 6 1HB SER 6 -1.017 -19.667 6.651
25 HB3 SER 6 2HB SER 6 -0.742 -19.212 4.970
26 HG SER 6 HG SER 6 1.380 -18.912 5.384
27 H GLY 7 H GLY 7 -2.511 -18.193 8.137
28 HA2 GLY 7 1HA GLY 7 -4.908 -18.499 6.891
29 HA3 GLY 7 2HA GLY 7 -4.760 -17.833 8.511
30 H THR 8 H THR 8 -4.042 -15.416 8.461
31 HA THR 8 HA THR 8 -6.026 -13.793 7.735
32 HB THR 8 HB THR 8 -3.971 -13.031 8.901
33 HG1 THR 8 HG1 THR 8 -5.172 -11.603 6.806
34 HG21 THR 8 3HG2 THR 8 -2.847 -13.135 6.112
35 HG22 THR 8 1HG2 THR 8 -2.200 -13.862 7.582
36 HG23 THR 8 2HG2 THR 8 -2.150 -12.112 7.368
37 H GLY 9 H GLY 9 -6.666 -12.522 5.974
38 HA2 GLY 9 1HA GLY 9 -6.059 -13.711 3.392
39 HA3 GLY 9 2HA GLY 9 -7.311 -12.525 3.727
40 H GLU 10 H GLU 10 -6.279 -11.812 1.575
41 HA GLU 10 HA GLU 10 -4.048 -9.977 2.158
42 HB2 GLU 10 1HB GLU 10 -3.355 -10.149 -0.128
43 HB3 GLU 10 2HB GLU 10 -3.565 -11.781 0.491
44 HG2 GLU 10 1HG GLU 10 -4.607 -12.010 -1.506
45 HG3 GLU 10 2HG GLU 10 -5.978 -11.480 -0.532
46 H LYS 11 H LYS 11 -4.309 -7.850 1.781
47 HA LYS 11 HA LYS 11 -6.912 -6.991 0.708
48 HB2 LYS 11 1HB LYS 11 -5.109 -5.901 2.823
49 HB3 LYS 11 2HB LYS 11 -6.107 -4.775 1.913
50 HG2 LYS 11 1HG LYS 11 -7.321 -5.318 3.855
51 HG3 LYS 11 2HG LYS 11 -8.085 -6.206 2.535
52 HD2 LYS 11 1HD LYS 11 -7.907 -7.695 4.389
53 HD3 LYS 11 2HD LYS 11 -6.706 -8.194 3.195
54 HE2 LYS 11 1HE LYS 11 -4.932 -7.381 4.459
55 HE3 LYS 11 2HE LYS 11 -5.968 -6.312 5.404
56 HZ1 LYS 11 3HZ LYS 11 -5.472 -8.041 6.848
57 HZ2 LYS 11 1HZ LYS 11 -5.619 -9.232 5.655
58 HZ3 LYS 11 2HZ LYS 11 -7.000 -8.468 6.263
59 HA PRO 12 HA PRO 12 -5.045 -4.939 -2.692
60 HB2 PRO 12 1HB PRO 12 -6.583 -2.712 -2.916
61 HB3 PRO 12 2HB PRO 12 -7.160 -4.326 -3.348
62 HG2 PRO 12 1HG PRO 12 -7.625 -2.757 -0.842
63 HG3 PRO 12 2HG PRO 12 -8.774 -3.724 -1.786
64 HD2 PRO 12 1HD PRO 12 -7.618 -4.641 0.484
65 HD3 PRO 12 2HD PRO 12 -8.052 -5.710 -0.865
66 H TYR 13 H TYR 13 -4.892 -3.667 0.413
67 HA TYR 13 HA TYR 13 -2.972 -1.613 -0.463
68 HB2 TYR 13 1HB TYR 13 -4.827 -1.427 1.920
69 HB3 TYR 13 2HB TYR 13 -3.644 -0.218 1.432
70 HD1 TYR 13 HD1 TYR 13 -4.004 1.106 -0.624
71 HD2 TYR 13 HD2 TYR 13 -6.950 -1.596 0.831
72 HE1 TYR 13 HE1 TYR 13 -5.691 2.189 -2.049
73 HE2 TYR 13 HE2 TYR 13 -8.646 -0.522 -0.590
74 HH TYR 13 HH TYR 13 -8.624 2.227 -1.720
75 H LYS 14 H LYS 14 -0.995 -2.201 0.104
76 HA LYS 14 HA LYS 14 -0.545 -3.278 2.789
77 HB2 LYS 14 1HB LYS 14 -0.586 -5.264 1.469
78 HB3 LYS 14 2HB LYS 14 0.394 -4.526 0.209
79 HG2 LYS 14 1HG LYS 14 2.215 -4.341 2.004
80 HG3 LYS 14 2HG LYS 14 1.235 -5.493 2.915
81 HD2 LYS 14 1HD LYS 14 1.274 -6.903 0.761
82 HD3 LYS 14 2HD LYS 14 2.617 -5.864 0.278
83 HE2 LYS 14 1HE LYS 14 3.831 -6.487 2.303
84 HE3 LYS 14 2HE LYS 14 2.484 -7.508 2.805
85 HZ1 LYS 14 3HZ LYS 14 4.489 -7.964 0.732
86 HZ2 LYS 14 1HZ LYS 14 2.928 -8.543 0.436
87 HZ3 LYS 14 2HZ LYS 14 3.775 -9.059 1.805
88 H CYS 15 H CYS 15 1.431 -2.749 3.697
89 HA CYS 15 HA CYS 15 2.761 -0.480 2.500
90 HB2 CYS 15 1HB CYS 15 2.190 -0.726 4.975
91 HB3 CYS 15 2HB CYS 15 3.527 -1.869 5.067
92 H ASN 16 H ASN 16 4.493 -0.599 1.246
93 HA ASN 16 HA ASN 16 5.927 -3.118 1.009
94 HB2 ASN 16 1HB ASN 16 5.127 -1.536 -0.927
95 HB3 ASN 16 2HB ASN 16 6.616 -0.666 -0.570
96 HD21 ASN 16 1HD2 ASN 16 8.058 -1.166 -2.049
97 HD22 ASN 16 2HD2 ASN 16 8.412 -2.755 -2.629
98 H GLU 17 H GLU 17 6.150 -0.751 3.131
99 HA GLU 17 HA GLU 17 9.041 -0.361 3.014
100 HB2 GLU 17 1HB GLU 17 6.877 0.835 4.741
101 HB3 GLU 17 2HB GLU 17 8.587 1.115 5.035
102 HG2 GLU 17 1HG GLU 17 7.612 2.950 3.793
103 HG3 GLU 17 2HG GLU 17 8.816 2.106 2.820
104 H CYS 18 H CYS 18 6.598 -2.052 4.841
105 HA CYS 18 HA CYS 18 8.733 -3.345 6.399
106 HB2 CYS 18 1HB CYS 18 7.122 -3.477 8.316
107 HB3 CYS 18 2HB CYS 18 7.658 -1.844 7.934
108 H GLY 19 H GLY 19 5.331 -3.575 5.373
109 HA2 GLY 19 1HA GLY 19 5.025 -5.690 3.955
110 HA3 GLY 19 2HA GLY 19 5.604 -6.510 5.398
111 H LYS 20 H LYS 20 4.071 -4.242 6.888
112 HA LYS 20 HA LYS 20 1.855 -5.744 7.637
113 HB2 LYS 20 1HB LYS 20 2.445 -2.797 7.839
114 HB3 LYS 20 2HB LYS 20 0.967 -3.494 8.488
115 HG2 LYS 20 1HG LYS 20 2.139 -4.773 10.072
116 HG3 LYS 20 2HG LYS 20 3.684 -4.506 9.262
117 HD2 LYS 20 1HD LYS 20 3.775 -2.255 9.959
118 HD3 LYS 20 2HD LYS 20 2.074 -2.250 10.429
119 HE2 LYS 20 1HE LYS 20 2.607 -3.883 12.210
120 HE3 LYS 20 2HE LYS 20 4.310 -3.770 11.768
121 HZ1 LYS 20 3HZ LYS 20 3.848 -1.232 12.140
122 HZ2 LYS 20 1HZ LYS 20 4.217 -2.250 13.440
123 HZ3 LYS 20 2HZ LYS 20 2.611 -1.816 13.134
124 H VAL 21 H VAL 21 -0.417 -5.372 7.284
125 HA VAL 21 HA VAL 21 -1.034 -4.115 4.693
126 HB VAL 21 HB VAL 21 -2.299 -6.668 5.690
127 HG11 VAL 21 1HG1 VAL 21 -2.437 -5.275 3.017
128 HG12 VAL 21 2HG1 VAL 21 -3.215 -6.804 3.430
129 HG13 VAL 21 3HG1 VAL 21 -3.717 -5.314 4.230
130 HG21 VAL 21 3HG2 VAL 21 -0.895 -7.924 4.345
131 HG22 VAL 21 1HG2 VAL 21 -0.431 -6.537 3.359
132 HG23 VAL 21 2HG2 VAL 21 0.206 -6.709 4.994
133 H PHE 22 H PHE 22 -3.164 -3.292 4.463
134 HA PHE 22 HA PHE 22 -4.741 -3.093 6.928
135 HB2 PHE 22 1HB PHE 22 -4.105 -0.718 5.169
136 HB3 PHE 22 2HB PHE 22 -5.033 -0.706 6.666
137 HD1 PHE 22 HD1 PHE 22 -1.660 -1.653 5.392
138 HD2 PHE 22 HD2 PHE 22 -3.972 -0.107 8.614
139 HE1 PHE 22 HE1 PHE 22 0.404 -1.220 6.661
140 HE2 PHE 22 HE2 PHE 22 -1.912 0.330 9.887
141 HZ PHE 22 HZ PHE 22 0.279 -0.227 8.911
142 H ARG 23 H ARG 23 -6.905 -1.932 6.394
143 HA ARG 23 HA ARG 23 -7.905 -3.054 3.860
144 HB2 ARG 23 1HB ARG 23 -8.727 -3.951 6.163
145 HB3 ARG 23 2HB ARG 23 -9.666 -2.465 6.217
146 HG2 ARG 23 1HG ARG 23 -10.434 -3.235 3.831
147 HG3 ARG 23 2HG ARG 23 -9.945 -4.822 4.427
148 HD2 ARG 23 1HD ARG 23 -11.806 -2.998 5.932
149 HD3 ARG 23 2HD ARG 23 -12.369 -4.204 4.775
150 HE ARG 23 HE ARG 23 -10.657 -5.379 6.704
151 HH11 ARG 23 1HH1 ARG 23 -13.882 -4.144 6.270
152 HH12 ARG 23 2HH1 ARG 23 -14.575 -5.156 7.494
153 HH21 ARG 23 1HH2 ARG 23 -11.556 -6.717 8.317
154 HH22 ARG 23 2HH2 ARG 23 -13.251 -6.619 8.658
155 H HIS 24 H HIS 24 -6.739 -0.396 4.283
156 HA HIS 24 HA HIS 24 -8.651 1.131 2.857
157 HB2 HIS 24 1HB HIS 24 -9.349 1.173 5.413
158 HB3 HIS 24 2HB HIS 24 -8.090 2.402 5.501
159 HD1 HIS 24 HD1 HIS 24 -8.797 4.710 4.932
160 HD2 HIS 24 HD2 HIS 24 -11.407 1.862 3.403
161 HE1 HIS 24 HE1 HIS 24 -10.699 6.012 3.926
162 H ASN 25 H ASN 25 -7.859 3.315 2.353
163 HA ASN 25 HA ASN 25 -4.980 3.282 2.062
164 HB2 ASN 25 1HB ASN 25 -6.549 3.938 0.207
165 HB3 ASN 25 2HB ASN 25 -6.926 5.396 1.121
166 HD21 ASN 25 1HD2 ASN 25 -5.917 5.555 -1.409
167 HD22 ASN 25 2HD2 ASN 25 -4.306 6.178 -1.357
168 H SER 26 H SER 26 -7.420 5.084 3.824
169 HA SER 26 HA SER 26 -5.788 7.216 4.682
170 HB2 SER 26 1HB SER 26 -8.308 7.124 4.798
171 HB3 SER 26 2HB SER 26 -8.138 6.053 6.189
172 HG SER 26 HG SER 26 -8.283 8.550 6.387
173 H TYR 27 H TYR 27 -6.136 3.940 5.769
174 HA TYR 27 HA TYR 27 -4.748 4.433 8.271
175 HB2 TYR 27 1HB TYR 27 -5.474 1.745 7.110
176 HB3 TYR 27 2HB TYR 27 -5.172 2.152 8.796
177 HD1 TYR 27 HD2 TYR 27 -6.838 4.717 8.828
178 HD2 TYR 27 HD1 TYR 27 -7.641 0.803 7.367
179 HE1 TYR 27 HE2 TYR 27 -9.244 5.089 9.171
180 HE2 TYR 27 HE1 TYR 27 -10.051 1.165 7.705
181 HH TYR 27 HH TYR 27 -11.292 3.678 9.540
182 H LEU 28 H LEU 28 -4.079 3.255 5.065
183 HA LEU 28 HA LEU 28 -1.545 2.080 5.716
184 HB2 LEU 28 1HB LEU 28 -2.659 1.201 3.829
185 HB3 LEU 28 2HB LEU 28 -2.901 2.802 3.134
186 HG LEU 28 HG LEU 28 -0.498 2.959 2.674
187 HD11 LEU 28 1HD1 LEU 28 0.960 1.056 2.977
188 HD12 LEU 28 2HD1 LEU 28 -0.360 0.121 3.679
189 HD13 LEU 28 3HD1 LEU 28 0.268 1.533 4.528
190 HD21 LEU 28 3HD2 LEU 28 -0.477 1.534 0.803
191 HD22 LEU 28 1HD2 LEU 28 -2.178 1.909 1.082
192 HD23 LEU 28 2HD2 LEU 28 -1.525 0.351 1.589
193 H SER 29 H SER 29 -2.579 5.089 4.131
194 HA SER 29 HA SER 29 -0.007 6.114 3.656
195 HB2 SER 29 1HB SER 29 -2.386 6.904 2.835
196 HB3 SER 29 2HB SER 29 -2.293 7.956 4.248
197 HG SER 29 HG SER 29 -0.235 7.799 2.309
198 H ARG 30 H ARG 30 -2.262 6.660 6.349
199 HA ARG 30 HA ARG 30 -0.705 8.476 7.788
200 HB2 ARG 30 1HB ARG 30 -2.116 8.026 9.645
201 HB3 ARG 30 2HB ARG 30 -3.118 7.853 8.210
202 HG2 ARG 30 1HG ARG 30 -3.008 5.462 8.349
203 HG3 ARG 30 2HG ARG 30 -1.842 5.552 9.670
204 HD2 ARG 30 1HD ARG 30 -4.484 6.901 9.968
205 HD3 ARG 30 2HD ARG 30 -4.393 5.149 10.145
206 HE ARG 30 HE ARG 30 -3.563 7.078 12.039
207 HH11 ARG 30 1HH1 ARG 30 -2.673 3.988 10.707
208 HH12 ARG 30 2HH1 ARG 30 -1.850 3.462 12.138
209 HH21 ARG 30 1HH2 ARG 30 -2.483 6.397 13.929
210 HH22 ARG 30 2HH2 ARG 30 -1.743 4.833 13.971
211 H HIS 31 H HIS 31 -0.388 5.060 7.384
212 HA HIS 31 HA HIS 31 1.334 4.707 9.682
213 HB2 HIS 31 1HB HIS 31 0.052 2.796 9.190
214 HB3 HIS 31 2HB HIS 31 0.393 2.903 7.465
215 HD1 HIS 31 HD1 HIS 31 1.970 1.844 10.713
216 HD2 HIS 31 HD2 HIS 31 2.681 1.599 6.627
217 HE1 HIS 31 HE1 HIS 31 3.886 0.234 10.459
218 H GLN 32 H GLN 32 1.752 4.407 6.151
219 HA GLN 32 HA GLN 32 4.380 3.917 5.895
220 HB2 GLN 32 1HB GLN 32 2.661 5.847 4.355
221 HB3 GLN 32 2HB GLN 32 4.335 5.548 3.906
222 HG2 GLN 32 1HG GLN 32 3.817 3.158 3.656
223 HG3 GLN 32 2HG GLN 32 2.132 3.502 4.041
224 HE21 GLN 32 1HE2 GLN 32 4.011 2.763 1.579
225 HE22 GLN 32 2HE2 GLN 32 3.252 3.638 0.298
226 H ARG 33 H ARG 33 2.992 6.819 7.189
227 HA ARG 33 HA ARG 33 5.000 8.674 6.908
228 HB2 ARG 33 1HB ARG 33 3.378 8.227 9.420
229 HB3 ARG 33 2HB ARG 33 4.167 9.722 8.935
230 HG2 ARG 33 1HG ARG 33 2.645 9.434 6.803
231 HG3 ARG 33 2HG ARG 33 1.671 8.476 7.921
232 HD2 ARG 33 1HD ARG 33 0.979 10.843 7.833
233 HD3 ARG 33 2HD ARG 33 1.503 10.342 9.440
234 HE ARG 33 HE ARG 33 3.715 11.422 8.152
235 HH11 ARG 33 1HH1 ARG 33 0.585 12.466 9.263
236 HH12 ARG 33 2HH1 ARG 33 1.087 14.099 9.552
237 HH21 ARG 33 1HH2 ARG 33 4.388 13.569 8.528
238 HH22 ARG 33 2HH2 ARG 33 3.251 14.725 9.133
239 H ILE 34 H ILE 34 4.713 6.183 9.427
240 HA ILE 34 HA ILE 34 6.929 6.815 10.951
241 HB ILE 34 HB ILE 34 6.922 4.578 11.771
242 HG12 ILE 34 1HG1 ILE 34 5.181 3.757 9.445
243 HG13 ILE 34 2HG1 ILE 34 6.927 3.541 9.458
244 HG21 ILE 34 1HG2 ILE 34 4.100 4.443 11.328
245 HG22 ILE 34 2HG2 ILE 34 4.977 4.929 12.778
246 HG23 ILE 34 3HG2 ILE 34 4.584 6.125 11.544
247 HD11 ILE 34 3HD1 ILE 34 4.850 2.195 11.132
248 HD12 ILE 34 1HD1 ILE 34 6.106 1.480 10.123
249 HD13 ILE 34 2HD1 ILE 34 6.536 2.258 11.647
250 H HIS 35 H HIS 35 6.805 5.583 7.754
251 HA HIS 35 HA HIS 35 9.562 4.632 7.822
252 HB2 HIS 35 1HB HIS 35 7.442 4.598 5.672
253 HB3 HIS 35 2HB HIS 35 9.097 4.063 5.400
254 HD1 HIS 35 HD1 HIS 35 9.836 2.140 7.333
255 HD2 HIS 35 HD2 HIS 35 5.827 2.543 6.319
256 HE1 HIS 35 HE1 HIS 35 8.746 -0.018 8.028
257 H THR 36 H THR 36 7.603 7.069 6.136
258 HA THR 36 HA THR 36 9.577 8.219 4.569
259 HB THR 36 HB THR 36 8.222 10.305 4.646
260 HG1 THR 36 HG1 THR 36 7.425 10.305 6.722
261 HG21 THR 36 3HG2 THR 36 7.440 7.731 3.721
262 HG22 THR 36 1HG2 THR 36 7.025 9.310 3.054
263 HG23 THR 36 2HG2 THR 36 5.997 8.575 4.284
264 H GLY 37 H GLY 37 8.650 9.021 7.908
265 HA2 GLY 37 1HA GLY 37 10.318 11.198 8.322
266 HA3 GLY 37 2HA GLY 37 9.816 10.077 9.579
267 H GLU 38 H GLU 38 11.060 7.899 9.457
268 HA GLU 38 HA GLU 38 13.903 8.595 9.387
269 HB2 GLU 38 1HB GLU 38 12.293 6.515 10.820
270 HB3 GLU 38 2HB GLU 38 14.015 6.258 10.572
271 HG2 GLU 38 1HG GLU 38 12.741 8.571 12.015
272 HG3 GLU 38 2HG GLU 38 13.611 7.224 12.746
273 H LYS 39 H LYS 39 15.177 7.900 7.811
274 HA LYS 39 HA LYS 39 14.508 6.717 5.502
275 HB2 LYS 39 1HB LYS 39 16.815 7.542 6.314
276 HB3 LYS 39 2HB LYS 39 17.069 5.884 6.844
277 HG2 LYS 39 1HG LYS 39 16.782 5.082 4.578
278 HG3 LYS 39 2HG LYS 39 16.429 6.720 4.022
279 HD2 LYS 39 1HD LYS 39 18.997 6.123 5.442
280 HD3 LYS 39 2HD LYS 39 18.823 5.762 3.723
281 HE2 LYS 39 1HE LYS 39 18.226 8.463 4.912
282 HE3 LYS 39 2HE LYS 39 19.812 8.016 4.285
283 HZ1 LYS 39 3HZ LYS 39 17.268 8.129 2.760
284 HZ2 LYS 39 1HZ LYS 39 18.724 7.534 2.137
285 HZ3 LYS 39 2HZ LYS 39 18.600 9.159 2.591
286 HA PRO 40 HA PRO 40 13.151 2.605 6.334
287 HB2 PRO 40 1HB PRO 40 13.406 1.588 3.829
288 HB3 PRO 40 2HB PRO 40 12.112 2.702 4.287
289 HG2 PRO 40 1HG PRO 40 14.683 3.269 2.862
290 HG3 PRO 40 2HG PRO 40 13.054 3.881 2.518
291 HD2 PRO 40 1HD PRO 40 14.910 5.342 3.842
292 HD3 PRO 40 2HD PRO 40 13.171 5.484 4.170
293 H SER 41 H SER 41 16.180 3.144 4.593
294 HA SER 41 HA SER 41 17.497 1.115 6.156
295 HB2 SER 41 1HB SER 41 17.150 0.745 3.173
296 HB3 SER 41 2HB SER 41 18.306 -0.156 4.154
297 HG SER 41 HG SER 41 16.732 -1.425 4.681
298 H GLY 42 H GLY 42 19.851 0.977 5.593
299 HA2 GLY 42 1HA GLY 42 20.916 3.614 5.366
300 HA3 GLY 42 2HA GLY 42 21.844 2.126 5.488
301 HA PRO 43 HA PRO 43 22.846 2.151 1.220
302 HB2 PRO 43 1HB PRO 43 22.158 -0.300 0.278
303 HB3 PRO 43 2HB PRO 43 23.522 -0.039 1.371
304 HG2 PRO 43 1HG PRO 43 20.752 -0.989 1.991
305 HG3 PRO 43 2HG PRO 43 22.303 -1.589 2.605
306 HD2 PRO 43 1HD PRO 43 20.714 0.072 4.036
307 HD3 PRO 43 2HD PRO 43 22.485 0.103 4.160
308 H SER 44 H SER 44 21.980 3.069 -0.533
309 HA SER 44 HA SER 44 19.277 2.326 -1.373
310 HB2 SER 44 1HB SER 44 19.011 4.314 0.052
311 HB3 SER 44 2HB SER 44 20.175 5.187 -0.944
312 HG SER 44 HG SER 44 18.369 5.760 -1.914
313 H SER 45 H SER 45 18.984 2.311 -3.543
314 HA SER 45 HA SER 45 21.259 3.200 -5.192
315 HB2 SER 45 1HB SER 45 20.791 0.701 -5.068
316 HB3 SER 45 2HB SER 45 19.294 1.030 -5.940
317 HG SER 45 HG SER 45 20.677 0.653 -7.545
318 H GLY 46 H GLY 46 19.281 5.021 -4.508
319 HA2 GLY 46 1HA GLY 46 18.316 6.731 -5.806
320 HA3 GLY 46 2HA GLY 46 18.208 5.613 -7.158
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -1.132 -34.528 13.278
2 HA2 GLY 1 1HA GLY 1 -1.275 -32.483 12.234
3 HA3 GLY 1 2HA GLY 1 -2.722 -33.068 11.425
4 H SER 2 H SER 2 -2.708 -30.487 12.107
5 HA SER 2 HA SER 2 -4.570 -30.398 14.383
6 HB2 SER 2 1HB SER 2 -2.484 -28.295 13.753
7 HB3 SER 2 2HB SER 2 -3.646 -28.247 15.079
8 HG SER 2 HG SER 2 -2.582 -30.397 15.617
9 H SER 3 H SER 3 -5.893 -28.339 14.355
10 HA SER 3 HA SER 3 -6.868 -27.936 11.631
11 HB2 SER 3 1HB SER 3 -8.905 -27.178 12.602
12 HB3 SER 3 2HB SER 3 -8.401 -28.567 13.565
13 HG SER 3 HG SER 3 -7.312 -26.751 14.865
14 H GLY 4 H GLY 4 -7.095 -25.923 10.672
15 HA2 GLY 4 1HA GLY 4 -6.865 -23.417 11.668
16 HA3 GLY 4 2HA GLY 4 -5.191 -23.938 11.558
17 H SER 5 H SER 5 -5.391 -25.483 9.203
18 HA SER 5 HA SER 5 -4.706 -23.836 7.212
19 HB2 SER 5 1HB SER 5 -6.430 -26.307 6.928
20 HB3 SER 5 2HB SER 5 -5.603 -25.515 5.587
21 HG SER 5 HG SER 5 -4.073 -26.174 7.818
22 H SER 6 H SER 6 -5.591 -22.012 6.517
23 HA SER 6 HA SER 6 -8.342 -22.021 5.582
24 HB2 SER 6 1HB SER 6 -8.145 -21.238 8.086
25 HB3 SER 6 2HB SER 6 -7.564 -19.739 7.363
26 HG SER 6 HG SER 6 -9.502 -19.348 6.571
27 H GLY 7 H GLY 7 -8.808 -20.356 4.093
28 HA2 GLY 7 1HA GLY 7 -6.777 -19.643 2.352
29 HA3 GLY 7 2HA GLY 7 -8.333 -18.832 2.442
30 H THR 8 H THR 8 -6.659 -17.108 1.720
31 HA THR 8 HA THR 8 -5.797 -15.676 4.145
32 HB THR 8 HB THR 8 -4.333 -15.626 1.500
33 HG1 THR 8 HG1 THR 8 -4.249 -17.615 2.944
34 HG21 THR 8 3HG2 THR 8 -2.761 -14.234 2.510
35 HG22 THR 8 1HG2 THR 8 -3.290 -14.653 4.138
36 HG23 THR 8 2HG2 THR 8 -4.291 -13.612 3.127
37 H GLY 9 H GLY 9 -6.111 -13.461 4.176
38 HA2 GLY 9 1HA GLY 9 -7.895 -12.453 2.062
39 HA3 GLY 9 2HA GLY 9 -7.820 -11.839 3.707
40 H GLU 10 H GLU 10 -5.848 -12.152 0.765
41 HA GLU 10 HA GLU 10 -3.969 -10.169 1.509
42 HB2 GLU 10 1HB GLU 10 -4.700 -11.494 -1.082
43 HB3 GLU 10 2HB GLU 10 -3.572 -10.145 -1.063
44 HG2 GLU 10 1HG GLU 10 -2.110 -11.875 -0.911
45 HG3 GLU 10 2HG GLU 10 -2.402 -11.584 0.802
46 H LYS 11 H LYS 11 -4.812 -8.229 2.078
47 HA LYS 11 HA LYS 11 -6.948 -6.956 0.700
48 HB2 LYS 11 1HB LYS 11 -4.906 -5.653 2.504
49 HB3 LYS 11 2HB LYS 11 -6.519 -5.063 2.126
50 HG2 LYS 11 1HG LYS 11 -6.160 -7.717 3.450
51 HG3 LYS 11 2HG LYS 11 -6.086 -6.225 4.392
52 HD2 LYS 11 1HD LYS 11 -8.309 -5.604 3.603
53 HD3 LYS 11 2HD LYS 11 -8.381 -7.069 2.620
54 HE2 LYS 11 1HE LYS 11 -8.428 -8.459 4.537
55 HE3 LYS 11 2HE LYS 11 -7.989 -7.125 5.603
56 HZ1 LYS 11 3HZ LYS 11 -10.427 -7.872 5.501
57 HZ2 LYS 11 1HZ LYS 11 -10.485 -7.028 4.036
58 HZ3 LYS 11 2HZ LYS 11 -10.095 -6.214 5.465
59 HA PRO 12 HA PRO 12 -4.888 -5.001 -2.651
60 HB2 PRO 12 1HB PRO 12 -6.395 -2.760 -2.922
61 HB3 PRO 12 2HB PRO 12 -6.968 -4.365 -3.389
62 HG2 PRO 12 1HG PRO 12 -7.522 -2.808 -0.893
63 HG3 PRO 12 2HG PRO 12 -8.639 -3.758 -1.890
64 HD2 PRO 12 1HD PRO 12 -7.586 -4.701 0.419
65 HD3 PRO 12 2HD PRO 12 -7.974 -5.756 -0.955
66 H TYR 13 H TYR 13 -4.824 -3.775 0.467
67 HA TYR 13 HA TYR 13 -2.882 -1.704 -0.319
68 HB2 TYR 13 1HB TYR 13 -4.799 -1.585 2.019
69 HB3 TYR 13 2HB TYR 13 -3.591 -0.370 1.615
70 HD1 TYR 13 HD1 TYR 13 -3.872 1.032 -0.401
71 HD2 TYR 13 HD2 TYR 13 -6.885 -1.698 0.852
72 HE1 TYR 13 HE1 TYR 13 -5.503 2.180 -1.841
73 HE2 TYR 13 HE2 TYR 13 -8.524 -0.559 -0.585
74 HH TYR 13 HH TYR 13 -7.658 2.352 -2.410
75 H LYS 14 H LYS 14 -0.978 -2.654 0.099
76 HA LYS 14 HA LYS 14 -0.504 -3.569 2.848
77 HB2 LYS 14 1HB LYS 14 -0.780 -5.606 1.615
78 HB3 LYS 14 2HB LYS 14 0.257 -5.028 0.317
79 HG2 LYS 14 1HG LYS 14 2.023 -4.885 2.279
80 HG3 LYS 14 2HG LYS 14 0.973 -6.119 2.980
81 HD2 LYS 14 1HD LYS 14 1.170 -7.204 0.604
82 HD3 LYS 14 2HD LYS 14 2.629 -6.216 0.496
83 HE2 LYS 14 1HE LYS 14 3.254 -8.372 1.319
84 HE3 LYS 14 2HE LYS 14 3.382 -7.222 2.650
85 HZ1 LYS 14 3HZ LYS 14 2.328 -9.211 3.423
86 HZ2 LYS 14 1HZ LYS 14 1.176 -9.153 2.186
87 HZ3 LYS 14 2HZ LYS 14 1.173 -7.975 3.399
88 H CYS 15 H CYS 15 1.219 -2.635 3.733
89 HA CYS 15 HA CYS 15 2.788 -0.759 2.308
90 HB2 CYS 15 1HB CYS 15 2.264 -0.673 4.766
91 HB3 CYS 15 2HB CYS 15 3.417 -1.984 4.999
92 H ASN 16 H ASN 16 4.829 -0.865 1.490
93 HA ASN 16 HA ASN 16 5.944 -3.552 1.167
94 HB2 ASN 16 1HB ASN 16 6.312 -0.964 -0.329
95 HB3 ASN 16 2HB ASN 16 7.417 -2.317 -0.550
96 HD21 ASN 16 1HD2 ASN 16 5.042 -0.872 -2.030
97 HD22 ASN 16 2HD2 ASN 16 4.211 -2.205 -2.751
98 H GLU 17 H GLU 17 6.561 -0.518 2.698
99 HA GLU 17 HA GLU 17 9.345 -0.672 3.015
100 HB2 GLU 17 1HB GLU 17 7.214 0.631 4.709
101 HB3 GLU 17 2HB GLU 17 8.934 0.809 5.026
102 HG2 GLU 17 1HG GLU 17 7.529 1.621 2.491
103 HG3 GLU 17 2HG GLU 17 8.023 2.706 3.789
104 H CYS 18 H CYS 18 6.766 -1.591 5.303
105 HA CYS 18 HA CYS 18 8.724 -3.187 6.792
106 HB2 CYS 18 1HB CYS 18 7.003 -3.266 8.565
107 HB3 CYS 18 2HB CYS 18 7.433 -1.615 8.128
108 H GLY 19 H GLY 19 5.589 -3.427 5.171
109 HA2 GLY 19 1HA GLY 19 5.136 -5.420 3.857
110 HA3 GLY 19 2HA GLY 19 5.973 -6.352 5.090
111 H LYS 20 H LYS 20 3.769 -3.814 5.978
112 HA LYS 20 HA LYS 20 2.040 -5.799 7.234
113 HB2 LYS 20 1HB LYS 20 2.352 -2.821 7.525
114 HB3 LYS 20 2HB LYS 20 0.966 -3.664 8.204
115 HG2 LYS 20 1HG LYS 20 2.377 -4.980 9.619
116 HG3 LYS 20 2HG LYS 20 3.827 -4.347 8.838
117 HD2 LYS 20 1HD LYS 20 3.768 -3.011 10.694
118 HD3 LYS 20 2HD LYS 20 2.797 -2.033 9.591
119 HE2 LYS 20 1HE LYS 20 1.418 -4.073 11.260
120 HE3 LYS 20 2HE LYS 20 1.979 -2.595 12.042
121 HZ1 LYS 20 3HZ LYS 20 0.196 -1.572 11.260
122 HZ2 LYS 20 1HZ LYS 20 -0.308 -2.973 10.456
123 HZ3 LYS 20 2HZ LYS 20 0.704 -1.866 9.674
124 H VAL 21 H VAL 21 -0.356 -5.324 7.203
125 HA VAL 21 HA VAL 21 -1.208 -4.325 4.567
126 HB VAL 21 HB VAL 21 -2.477 -6.709 5.903
127 HG11 VAL 21 1HG1 VAL 21 -2.755 -5.318 3.276
128 HG12 VAL 21 2HG1 VAL 21 -3.103 -7.045 3.390
129 HG13 VAL 21 3HG1 VAL 21 -4.003 -5.896 4.380
130 HG21 VAL 21 3HG2 VAL 21 -0.852 -8.052 5.203
131 HG22 VAL 21 1HG2 VAL 21 -0.987 -7.415 3.563
132 HG23 VAL 21 2HG2 VAL 21 0.080 -6.631 4.729
133 H PHE 22 H PHE 22 -3.261 -3.382 4.467
134 HA PHE 22 HA PHE 22 -4.666 -3.000 7.014
135 HB2 PHE 22 1HB PHE 22 -4.017 -0.751 5.098
136 HB3 PHE 22 2HB PHE 22 -4.895 -0.612 6.618
137 HD1 PHE 22 HD1 PHE 22 -1.612 -1.803 5.314
138 HD2 PHE 22 HD2 PHE 22 -3.745 0.070 8.485
139 HE1 PHE 22 HE1 PHE 22 0.508 -1.394 6.493
140 HE2 PHE 22 HE2 PHE 22 -1.629 0.483 9.669
141 HZ PHE 22 HZ PHE 22 0.502 -0.248 8.674
142 H ARG 23 H ARG 23 -6.805 -1.743 6.542
143 HA ARG 23 HA ARG 23 -8.155 -3.236 4.439
144 HB2 ARG 23 1HB ARG 23 -8.942 -2.840 6.923
145 HB3 ARG 23 2HB ARG 23 -9.571 -1.337 6.262
146 HG2 ARG 23 1HG ARG 23 -10.808 -2.683 4.567
147 HG3 ARG 23 2HG ARG 23 -10.290 -4.135 5.427
148 HD2 ARG 23 1HD ARG 23 -11.805 -1.881 6.727
149 HD3 ARG 23 2HD ARG 23 -12.586 -3.290 6.012
150 HE ARG 23 HE ARG 23 -10.601 -4.081 7.871
151 HH11 ARG 23 1HH1 ARG 23 -13.814 -2.755 7.675
152 HH12 ARG 23 2HH1 ARG 23 -14.311 -3.389 9.209
153 HH21 ARG 23 1HH2 ARG 23 -11.243 -4.921 9.893
154 HH22 ARG 23 2HH2 ARG 23 -12.847 -4.620 10.470
155 H HIS 24 H HIS 24 -7.969 0.155 5.528
156 HA HIS 24 HA HIS 24 -8.669 0.975 2.786
157 HB2 HIS 24 1HB HIS 24 -10.128 1.597 4.903
158 HB3 HIS 24 2HB HIS 24 -8.911 2.856 5.096
159 HD1 HIS 24 HD1 HIS 24 -9.219 4.920 3.733
160 HD2 HIS 24 HD2 HIS 24 -11.507 1.750 2.327
161 HE1 HIS 24 HE1 HIS 24 -10.673 5.890 1.925
162 H ASN 25 H ASN 25 -7.575 2.779 1.880
163 HA ASN 25 HA ASN 25 -4.797 2.813 2.365
164 HB2 ASN 25 1HB ASN 25 -6.013 3.371 0.192
165 HB3 ASN 25 2HB ASN 25 -6.320 4.959 0.888
166 HD21 ASN 25 1HD2 ASN 25 -5.110 5.872 -0.817
167 HD22 ASN 25 2HD2 ASN 25 -3.382 5.843 -0.796
168 H SER 26 H SER 26 -7.272 5.315 2.939
169 HA SER 26 HA SER 26 -5.922 7.364 3.979
170 HB2 SER 26 1HB SER 26 -8.480 6.901 3.971
171 HB3 SER 26 2HB SER 26 -8.214 6.297 5.606
172 HG SER 26 HG SER 26 -7.051 8.455 5.826
173 H TYR 27 H TYR 27 -6.717 4.451 5.862
174 HA TYR 27 HA TYR 27 -5.380 5.250 8.212
175 HB2 TYR 27 1HB TYR 27 -5.874 2.416 7.286
176 HB3 TYR 27 2HB TYR 27 -5.625 2.962 8.940
177 HD1 TYR 27 HD2 TYR 27 -7.370 5.224 9.244
178 HD2 TYR 27 HD1 TYR 27 -8.033 1.623 7.077
179 HE1 TYR 27 HE2 TYR 27 -9.797 5.514 9.516
180 HE2 TYR 27 HE1 TYR 27 -10.462 1.903 7.342
181 HH TYR 27 HH TYR 27 -11.989 3.151 9.102
182 H LEU 28 H LEU 28 -4.371 3.085 5.573
183 HA LEU 28 HA LEU 28 -1.865 2.391 6.507
184 HB2 LEU 28 1HB LEU 28 -2.658 1.274 4.605
185 HB3 LEU 28 2HB LEU 28 -2.943 2.780 3.736
186 HG LEU 28 HG LEU 28 -0.414 3.066 3.715
187 HD11 LEU 28 1HD1 LEU 28 0.964 1.181 4.080
188 HD12 LEU 28 2HD1 LEU 28 -0.425 0.110 4.266
189 HD13 LEU 28 3HD1 LEU 28 -0.072 1.318 5.501
190 HD21 LEU 28 3HD2 LEU 28 -0.222 1.217 1.897
191 HD22 LEU 28 1HD2 LEU 28 -1.334 2.565 1.658
192 HD23 LEU 28 2HD2 LEU 28 -1.947 1.001 2.193
193 H SER 29 H SER 29 -2.690 5.129 4.381
194 HA SER 29 HA SER 29 -0.292 6.267 3.910
195 HB2 SER 29 1HB SER 29 -2.408 7.244 3.140
196 HB3 SER 29 2HB SER 29 -2.777 7.762 4.785
197 HG SER 29 HG SER 29 -0.506 8.800 4.451
198 H ARG 30 H ARG 30 -2.229 7.158 6.773
199 HA ARG 30 HA ARG 30 -0.433 8.715 8.102
200 HB2 ARG 30 1HB ARG 30 -2.590 6.871 8.996
201 HB3 ARG 30 2HB ARG 30 -1.486 7.482 10.222
202 HG2 ARG 30 1HG ARG 30 -3.380 8.918 10.155
203 HG3 ARG 30 2HG ARG 30 -2.018 9.790 9.448
204 HD2 ARG 30 1HD ARG 30 -3.898 8.242 7.708
205 HD3 ARG 30 2HD ARG 30 -4.331 9.856 8.271
206 HE ARG 30 HE ARG 30 -2.341 9.175 6.300
207 HH11 ARG 30 1HH1 ARG 30 -3.472 11.576 8.552
208 HH12 ARG 30 2HH1 ARG 30 -2.711 12.897 7.729
209 HH21 ARG 30 1HH2 ARG 30 -1.333 10.905 5.206
210 HH22 ARG 30 2HH2 ARG 30 -1.495 12.514 5.825
211 H HIS 31 H HIS 31 -0.603 5.172 8.192
212 HA HIS 31 HA HIS 31 1.498 4.794 10.031
213 HB2 HIS 31 1HB HIS 31 0.239 2.881 9.791
214 HB3 HIS 31 2HB HIS 31 0.077 3.077 8.048
215 HD1 HIS 31 HD1 HIS 31 2.630 1.981 10.621
216 HD2 HIS 31 HD2 HIS 31 1.834 1.606 6.560
217 HE1 HIS 31 HE1 HIS 31 4.299 0.308 9.760
218 H GLN 32 H GLN 32 1.501 4.430 6.480
219 HA GLN 32 HA GLN 32 4.065 3.842 5.941
220 HB2 GLN 32 1HB GLN 32 2.214 5.768 4.569
221 HB3 GLN 32 2HB GLN 32 3.837 5.492 3.951
222 HG2 GLN 32 1HG GLN 32 3.225 3.011 3.972
223 HG3 GLN 32 2HG GLN 32 1.560 3.559 4.162
224 HE21 GLN 32 1HE2 GLN 32 2.066 2.101 2.012
225 HE22 GLN 32 2HE2 GLN 32 2.108 3.068 0.581
226 H ARG 33 H ARG 33 2.920 6.852 7.258
227 HA ARG 33 HA ARG 33 4.933 8.622 6.737
228 HB2 ARG 33 1HB ARG 33 3.538 8.211 9.388
229 HB3 ARG 33 2HB ARG 33 4.439 9.649 8.931
230 HG2 ARG 33 1HG ARG 33 2.092 8.672 7.340
231 HG3 ARG 33 2HG ARG 33 1.911 9.744 8.730
232 HD2 ARG 33 1HD ARG 33 3.724 10.365 6.412
233 HD3 ARG 33 2HD ARG 33 2.031 10.855 6.457
234 HE ARG 33 HE ARG 33 3.057 11.789 8.800
235 HH11 ARG 33 1HH1 ARG 33 3.910 12.145 5.443
236 HH12 ARG 33 2HH1 ARG 33 4.575 13.732 5.645
237 HH21 ARG 33 1HH2 ARG 33 3.930 13.878 9.079
238 HH22 ARG 33 2HH2 ARG 33 4.587 14.716 7.714
239 H ILE 34 H ILE 34 4.879 6.359 9.494
240 HA ILE 34 HA ILE 34 7.228 6.851 10.715
241 HB ILE 34 HB ILE 34 7.362 4.569 11.401
242 HG12 ILE 34 1HG1 ILE 34 5.434 3.842 9.191
243 HG13 ILE 34 2HG1 ILE 34 7.178 3.646 9.057
244 HG21 ILE 34 1HG2 ILE 34 4.445 5.148 10.923
245 HG22 ILE 34 2HG2 ILE 34 5.148 4.179 12.217
246 HG23 ILE 34 3HG2 ILE 34 5.416 5.921 12.175
247 HD11 ILE 34 3HD1 ILE 34 6.886 2.285 11.269
248 HD12 ILE 34 1HD1 ILE 34 5.220 2.140 10.710
249 HD13 ILE 34 2HD1 ILE 34 6.543 1.550 9.704
250 H HIS 35 H HIS 35 6.840 5.555 7.518
251 HA HIS 35 HA HIS 35 9.651 4.832 7.303
252 HB2 HIS 35 1HB HIS 35 7.482 4.744 5.197
253 HB3 HIS 35 2HB HIS 35 9.081 4.015 5.080
254 HD1 HIS 35 HD1 HIS 35 9.372 2.428 7.560
255 HD2 HIS 35 HD2 HIS 35 5.739 2.723 5.566
256 HE1 HIS 35 HE1 HIS 35 8.045 0.416 8.279
257 H THR 36 H THR 36 9.259 7.533 7.843
258 HA THR 36 HA THR 36 9.776 8.858 5.269
259 HB THR 36 HB THR 36 9.480 10.987 6.650
260 HG1 THR 36 HG1 THR 36 8.046 9.353 8.449
261 HG21 THR 36 3HG2 THR 36 7.533 9.154 5.569
262 HG22 THR 36 1HG2 THR 36 7.558 10.916 5.520
263 HG23 THR 36 2HG2 THR 36 6.845 10.083 6.901
264 H GLY 37 H GLY 37 10.882 9.099 8.660
265 HA2 GLY 37 1HA GLY 37 13.337 8.620 8.945
266 HA3 GLY 37 2HA GLY 37 13.569 9.736 7.607
267 H GLU 38 H GLU 38 11.856 9.682 10.739
268 HA GLU 38 HA GLU 38 12.617 12.486 11.125
269 HB2 GLU 38 1HB GLU 38 10.243 11.962 11.385
270 HB3 GLU 38 2HB GLU 38 10.628 10.765 12.614
271 HG2 GLU 38 1HG GLU 38 11.667 12.677 13.927
272 HG3 GLU 38 2HG GLU 38 10.858 13.749 12.785
273 H LYS 39 H LYS 39 14.416 12.853 12.223
274 HA LYS 39 HA LYS 39 15.927 11.015 13.618
275 HB2 LYS 39 1HB LYS 39 16.944 13.045 14.757
276 HB3 LYS 39 2HB LYS 39 16.961 13.051 12.999
277 HG2 LYS 39 1HG LYS 39 16.228 15.162 13.334
278 HG3 LYS 39 2HG LYS 39 14.666 14.341 13.373
279 HD2 LYS 39 1HD LYS 39 15.017 14.149 15.891
280 HD3 LYS 39 2HD LYS 39 16.326 15.315 15.684
281 HE2 LYS 39 1HE LYS 39 14.504 16.655 16.216
282 HE3 LYS 39 2HE LYS 39 14.562 16.740 14.456
283 HZ1 LYS 39 3HZ LYS 39 12.602 15.711 14.270
284 HZ2 LYS 39 1HZ LYS 39 12.375 16.122 15.895
285 HZ3 LYS 39 2HZ LYS 39 12.946 14.584 15.484
286 HA PRO 40 HA PRO 40 13.777 10.311 17.399
287 HB2 PRO 40 1HB PRO 40 15.855 9.403 18.891
288 HB3 PRO 40 2HB PRO 40 15.093 8.441 17.619
289 HG2 PRO 40 1HG PRO 40 17.618 10.045 17.524
290 HG3 PRO 40 2HG PRO 40 17.295 8.428 16.872
291 HD2 PRO 40 1HD PRO 40 17.296 10.650 15.324
292 HD3 PRO 40 2HD PRO 40 16.244 9.257 14.996
293 H SER 41 H SER 41 16.994 11.805 17.826
294 HA SER 41 HA SER 41 15.927 13.379 20.052
295 HB2 SER 41 1HB SER 41 18.268 13.884 20.577
296 HB3 SER 41 2HB SER 41 18.029 12.143 20.431
297 HG SER 41 HG SER 41 19.336 12.116 18.783
298 H GLY 42 H GLY 42 15.277 15.394 19.719
299 HA2 GLY 42 1HA GLY 42 16.224 16.792 17.306
300 HA3 GLY 42 2HA GLY 42 14.724 17.134 18.155
301 HA PRO 43 HA PRO 43 18.484 19.751 19.633
302 HB2 PRO 43 1HB PRO 43 18.323 21.880 17.957
303 HB3 PRO 43 2HB PRO 43 19.337 20.471 17.625
304 HG2 PRO 43 1HG PRO 43 16.620 21.142 16.562
305 HG3 PRO 43 2HG PRO 43 18.028 20.490 15.703
306 HD2 PRO 43 1HD PRO 43 15.963 18.934 16.507
307 HD3 PRO 43 2HD PRO 43 17.633 18.339 16.431
308 H SER 44 H SER 44 15.433 20.935 18.229
309 HA SER 44 HA SER 44 15.028 22.531 20.674
310 HB2 SER 44 1HB SER 44 13.581 24.007 19.268
311 HB3 SER 44 2HB SER 44 15.270 23.995 18.760
312 HG SER 44 HG SER 44 14.726 23.054 16.942
313 H SER 45 H SER 45 14.010 20.795 21.748
314 HA SER 45 HA SER 45 11.890 19.275 20.739
315 HB2 SER 45 1HB SER 45 12.447 20.067 23.608
316 HB3 SER 45 2HB SER 45 11.372 18.765 23.099
317 HG SER 45 HG SER 45 13.400 17.926 23.609
318 H GLY 46 H GLY 46 9.790 19.671 20.414
319 HA2 GLY 46 1HA GLY 46 7.784 20.784 20.332
320 HA3 GLY 46 2HA GLY 46 8.192 21.419 21.919
Start of MODEL 14
1 H1 GLY 1 H GLY 1 7.570 -19.376 9.926
2 HA2 GLY 1 1HA GLY 1 5.344 -20.006 9.807
3 HA3 GLY 1 2HA GLY 1 5.175 -18.361 9.213
4 H SER 2 H SER 2 5.987 -21.637 8.089
5 HA SER 2 HA SER 2 5.374 -21.057 5.364
6 HB2 SER 2 1HB SER 2 5.632 -23.469 5.006
7 HB3 SER 2 2HB SER 2 6.945 -22.848 6.006
8 HG SER 2 HG SER 2 4.602 -24.039 7.067
9 H SER 3 H SER 3 3.615 -22.493 8.055
10 HA SER 3 HA SER 3 1.458 -23.652 6.898
11 HB2 SER 3 1HB SER 3 1.792 -22.048 9.389
12 HB3 SER 3 2HB SER 3 0.150 -22.443 8.882
13 HG SER 3 HG SER 3 2.063 -24.042 9.977
14 H GLY 4 H GLY 4 -0.370 -23.067 5.834
15 HA2 GLY 4 1HA GLY 4 -0.588 -20.215 5.107
16 HA3 GLY 4 2HA GLY 4 -1.097 -21.548 4.081
17 H SER 5 H SER 5 -2.178 -19.158 6.074
18 HA SER 5 HA SER 5 -4.316 -20.462 7.419
19 HB2 SER 5 1HB SER 5 -3.972 -17.544 6.686
20 HB3 SER 5 2HB SER 5 -5.172 -18.176 7.813
21 HG SER 5 HG SER 5 -2.369 -18.060 8.083
22 H SER 6 H SER 6 -5.854 -21.503 6.331
23 HA SER 6 HA SER 6 -6.707 -20.648 3.711
24 HB2 SER 6 1HB SER 6 -7.370 -22.956 5.510
25 HB3 SER 6 2HB SER 6 -8.406 -22.595 4.130
26 HG SER 6 HG SER 6 -5.649 -22.712 3.706
27 H GLY 7 H GLY 7 -7.514 -18.541 4.304
28 HA2 GLY 7 1HA GLY 7 -10.338 -18.631 4.922
29 HA3 GLY 7 2HA GLY 7 -9.365 -17.800 6.126
30 H THR 8 H THR 8 -9.768 -15.698 5.878
31 HA THR 8 HA THR 8 -9.525 -14.569 3.165
32 HB THR 8 HB THR 8 -11.288 -13.488 5.370
33 HG1 THR 8 HG1 THR 8 -12.975 -14.427 4.292
34 HG21 THR 8 3HG2 THR 8 -10.227 -12.177 3.203
35 HG22 THR 8 1HG2 THR 8 -11.696 -11.713 4.059
36 HG23 THR 8 2HG2 THR 8 -11.800 -12.701 2.602
37 H GLY 9 H GLY 9 -7.358 -14.015 3.380
38 HA2 GLY 9 1HA GLY 9 -6.873 -11.745 5.189
39 HA3 GLY 9 2HA GLY 9 -5.744 -13.092 5.176
40 H GLU 10 H GLU 10 -7.396 -11.088 2.726
41 HA GLU 10 HA GLU 10 -4.781 -10.392 1.615
42 HB2 GLU 10 1HB GLU 10 -7.006 -11.781 0.144
43 HB3 GLU 10 2HB GLU 10 -5.844 -10.774 -0.709
44 HG2 GLU 10 1HG GLU 10 -4.888 -12.838 -0.930
45 HG3 GLU 10 2HG GLU 10 -4.085 -12.249 0.525
46 H LYS 11 H LYS 11 -4.707 -8.257 1.528
47 HA LYS 11 HA LYS 11 -7.172 -6.786 0.855
48 HB2 LYS 11 1HB LYS 11 -5.076 -6.286 2.912
49 HB3 LYS 11 2HB LYS 11 -5.801 -4.890 2.127
50 HG2 LYS 11 1HG LYS 11 -7.095 -5.196 4.029
51 HG3 LYS 11 2HG LYS 11 -8.050 -5.951 2.750
52 HD2 LYS 11 1HD LYS 11 -7.130 -8.147 3.405
53 HD3 LYS 11 2HD LYS 11 -6.258 -7.365 4.726
54 HE2 LYS 11 1HE LYS 11 -8.309 -6.714 5.776
55 HE3 LYS 11 2HE LYS 11 -9.250 -7.254 4.387
56 HZ1 LYS 11 3HZ LYS 11 -8.886 -9.470 4.900
57 HZ2 LYS 11 1HZ LYS 11 -9.113 -8.770 6.423
58 HZ3 LYS 11 2HZ LYS 11 -7.553 -9.143 5.888
59 HA PRO 12 HA PRO 12 -5.032 -5.150 -2.624
60 HB2 PRO 12 1HB PRO 12 -6.443 -2.857 -2.976
61 HB3 PRO 12 2HB PRO 12 -7.088 -4.453 -3.376
62 HG2 PRO 12 1HG PRO 12 -7.556 -2.776 -0.941
63 HG3 PRO 12 2HG PRO 12 -8.721 -3.715 -1.893
64 HD2 PRO 12 1HD PRO 12 -7.693 -4.611 0.446
65 HD3 PRO 12 2HD PRO 12 -8.136 -5.702 -0.883
66 H TYR 13 H TYR 13 -5.007 -3.696 0.435
67 HA TYR 13 HA TYR 13 -3.001 -1.724 -0.447
68 HB2 TYR 13 1HB TYR 13 -4.810 -1.610 1.976
69 HB3 TYR 13 2HB TYR 13 -3.588 -0.414 1.559
70 HD1 TYR 13 HD1 TYR 13 -3.925 1.101 -0.333
71 HD2 TYR 13 HD2 TYR 13 -6.913 -1.709 0.796
72 HE1 TYR 13 HE1 TYR 13 -5.575 2.319 -1.691
73 HE2 TYR 13 HE2 TYR 13 -8.571 -0.500 -0.561
74 HH TYR 13 HH TYR 13 -8.894 1.131 -2.050
75 H LYS 14 H LYS 14 -1.012 -2.362 0.016
76 HA LYS 14 HA LYS 14 -0.460 -3.491 2.659
77 HB2 LYS 14 1HB LYS 14 -0.619 -5.455 1.302
78 HB3 LYS 14 2HB LYS 14 0.348 -4.726 0.026
79 HG2 LYS 14 1HG LYS 14 2.141 -4.594 1.970
80 HG3 LYS 14 2HG LYS 14 1.194 -5.948 2.591
81 HD2 LYS 14 1HD LYS 14 1.443 -7.025 0.334
82 HD3 LYS 14 2HD LYS 14 2.583 -5.741 -0.077
83 HE2 LYS 14 1HE LYS 14 3.747 -6.468 2.147
84 HE3 LYS 14 2HE LYS 14 2.856 -7.968 1.896
85 HZ1 LYS 14 3HZ LYS 14 3.941 -7.497 -0.533
86 HZ2 LYS 14 1HZ LYS 14 4.587 -8.538 0.634
87 HZ3 LYS 14 2HZ LYS 14 5.159 -6.951 0.507
88 H CYS 15 H CYS 15 1.516 -2.942 3.507
89 HA CYS 15 HA CYS 15 2.899 -0.772 2.165
90 HB2 CYS 15 1HB CYS 15 2.341 -0.596 4.563
91 HB3 CYS 15 2HB CYS 15 3.365 -1.989 4.896
92 H ASN 16 H ASN 16 4.905 -0.848 1.307
93 HA ASN 16 HA ASN 16 6.131 -3.483 1.045
94 HB2 ASN 16 1HB ASN 16 6.797 -0.882 -0.353
95 HB3 ASN 16 2HB ASN 16 7.472 -2.462 -0.738
96 HD21 ASN 16 1HD2 ASN 16 5.585 -0.354 -2.030
97 HD22 ASN 16 2HD2 ASN 16 4.346 -1.337 -2.726
98 H GLU 17 H GLU 17 6.670 -0.393 2.536
99 HA GLU 17 HA GLU 17 9.430 -0.508 2.961
100 HB2 GLU 17 1HB GLU 17 7.171 0.823 4.422
101 HB3 GLU 17 2HB GLU 17 8.807 0.896 5.061
102 HG2 GLU 17 1HG GLU 17 9.566 2.223 3.359
103 HG3 GLU 17 2HG GLU 17 8.348 1.649 2.222
104 H CYS 18 H CYS 18 6.787 -1.525 5.126
105 HA CYS 18 HA CYS 18 8.741 -3.106 6.653
106 HB2 CYS 18 1HB CYS 18 7.114 -3.094 8.473
107 HB3 CYS 18 2HB CYS 18 7.459 -1.449 7.950
108 H GLY 19 H GLY 19 5.589 -3.263 5.057
109 HA2 GLY 19 1HA GLY 19 5.243 -5.346 3.742
110 HA3 GLY 19 2HA GLY 19 5.787 -6.210 5.172
111 H LYS 20 H LYS 20 4.311 -4.361 6.956
112 HA LYS 20 HA LYS 20 2.084 -5.770 7.538
113 HB2 LYS 20 1HB LYS 20 2.762 -2.883 7.854
114 HB3 LYS 20 2HB LYS 20 1.117 -3.390 8.213
115 HG2 LYS 20 1HG LYS 20 2.174 -5.157 9.719
116 HG3 LYS 20 2HG LYS 20 3.665 -4.229 9.550
117 HD2 LYS 20 1HD LYS 20 2.120 -2.217 10.220
118 HD3 LYS 20 2HD LYS 20 1.107 -3.492 10.900
119 HE2 LYS 20 1HE LYS 20 2.475 -2.881 12.680
120 HE3 LYS 20 2HE LYS 20 3.269 -4.313 12.028
121 HZ1 LYS 20 3HZ LYS 20 4.179 -1.889 10.804
122 HZ2 LYS 20 1HZ LYS 20 5.071 -3.142 11.508
123 HZ3 LYS 20 2HZ LYS 20 4.446 -1.903 12.474
124 H VAL 21 H VAL 21 -0.205 -5.445 7.174
125 HA VAL 21 HA VAL 21 -0.784 -4.364 4.492
126 HB VAL 21 HB VAL 21 -2.196 -6.684 5.813
127 HG11 VAL 21 1HG1 VAL 21 -2.380 -5.452 3.071
128 HG12 VAL 21 2HG1 VAL 21 -3.059 -7.028 3.481
129 HG13 VAL 21 3HG1 VAL 21 -3.650 -5.574 4.288
130 HG21 VAL 21 3HG2 VAL 21 -0.380 -7.866 5.254
131 HG22 VAL 21 1HG2 VAL 21 -0.926 -7.672 3.589
132 HG23 VAL 21 2HG2 VAL 21 0.271 -6.564 4.259
133 H PHE 22 H PHE 22 -2.865 -3.440 4.166
134 HA PHE 22 HA PHE 22 -4.384 -2.811 6.594
135 HB2 PHE 22 1HB PHE 22 -3.547 -0.754 4.539
136 HB3 PHE 22 2HB PHE 22 -4.547 -0.456 5.957
137 HD1 PHE 22 HD1 PHE 22 -1.196 -1.814 5.051
138 HD2 PHE 22 HD2 PHE 22 -3.545 0.359 7.857
139 HE1 PHE 22 HE1 PHE 22 0.826 -1.338 6.370
140 HE2 PHE 22 HE2 PHE 22 -1.527 0.840 9.180
141 HZ PHE 22 HZ PHE 22 0.663 -0.008 8.436
142 H ARG 23 H ARG 23 -6.545 -1.902 6.107
143 HA ARG 23 HA ARG 23 -7.690 -3.299 3.818
144 HB2 ARG 23 1HB ARG 23 -8.590 -3.397 6.239
145 HB3 ARG 23 2HB ARG 23 -9.252 -1.802 5.905
146 HG2 ARG 23 1HG ARG 23 -9.818 -4.027 4.008
147 HG3 ARG 23 2HG ARG 23 -10.688 -3.954 5.542
148 HD2 ARG 23 1HD ARG 23 -11.614 -1.845 5.028
149 HD3 ARG 23 2HD ARG 23 -10.501 -1.600 3.683
150 HE ARG 23 HE ARG 23 -11.831 -3.767 2.877
151 HH11 ARG 23 1HH1 ARG 23 -12.955 -0.761 4.227
152 HH12 ARG 23 2HH1 ARG 23 -14.467 -0.796 3.382
153 HH21 ARG 23 1HH2 ARG 23 -13.819 -3.825 1.759
154 HH22 ARG 23 2HH2 ARG 23 -14.958 -2.540 1.979
155 H HIS 24 H HIS 24 -7.616 -0.043 5.226
156 HA HIS 24 HA HIS 24 -8.541 1.010 2.634
157 HB2 HIS 24 1HB HIS 24 -9.898 1.344 4.885
158 HB3 HIS 24 2HB HIS 24 -8.737 2.646 5.124
159 HD1 HIS 24 HD1 HIS 24 -8.817 4.626 3.408
160 HD2 HIS 24 HD2 HIS 24 -11.863 1.830 2.995
161 HE1 HIS 24 HE1 HIS 24 -10.537 5.718 1.933
162 H ASN 25 H ASN 25 -7.406 2.642 1.668
163 HA ASN 25 HA ASN 25 -4.672 2.863 2.142
164 HB2 ASN 25 1HB ASN 25 -4.870 4.960 0.684
165 HB3 ASN 25 2HB ASN 25 -5.428 3.445 -0.018
166 HD21 ASN 25 1HD2 ASN 25 -7.624 3.110 -0.326
167 HD22 ASN 25 2HD2 ASN 25 -8.767 4.404 -0.275
168 H SER 26 H SER 26 -7.218 5.256 2.856
169 HA SER 26 HA SER 26 -5.909 7.299 3.964
170 HB2 SER 26 1HB SER 26 -8.410 6.965 3.935
171 HB3 SER 26 2HB SER 26 -8.234 6.011 5.407
172 HG SER 26 HG SER 26 -6.983 8.458 5.484
173 H TYR 27 H TYR 27 -6.762 4.404 5.867
174 HA TYR 27 HA TYR 27 -5.377 5.114 8.185
175 HB2 TYR 27 1HB TYR 27 -5.882 2.319 7.147
176 HB3 TYR 27 2HB TYR 27 -5.536 2.765 8.814
177 HD1 TYR 27 HD2 TYR 27 -7.244 4.993 9.374
178 HD2 TYR 27 HD1 TYR 27 -8.057 1.563 6.992
179 HE1 TYR 27 HE2 TYR 27 -9.649 5.273 9.802
180 HE2 TYR 27 HE1 TYR 27 -10.465 1.834 7.412
181 HH TYR 27 HH TYR 27 -12.047 3.183 8.253
182 H LEU 28 H LEU 28 -4.344 2.915 5.575
183 HA LEU 28 HA LEU 28 -1.835 2.265 6.447
184 HB2 LEU 28 1HB LEU 28 -2.640 1.237 4.488
185 HB3 LEU 28 2HB LEU 28 -2.872 2.785 3.678
186 HG LEU 28 HG LEU 28 -0.407 3.048 3.577
187 HD11 LEU 28 1HD1 LEU 28 -0.223 0.160 4.368
188 HD12 LEU 28 2HD1 LEU 28 -0.050 1.462 5.545
189 HD13 LEU 28 3HD1 LEU 28 1.073 1.343 4.190
190 HD21 LEU 28 3HD2 LEU 28 -2.077 1.323 2.069
191 HD22 LEU 28 1HD2 LEU 28 -0.488 0.567 2.197
192 HD23 LEU 28 2HD2 LEU 28 -0.638 2.198 1.543
193 H SER 29 H SER 29 -2.757 5.161 4.611
194 HA SER 29 HA SER 29 -0.325 6.317 4.154
195 HB2 SER 29 1HB SER 29 -2.413 7.317 3.380
196 HB3 SER 29 2HB SER 29 -2.863 7.714 5.038
197 HG SER 29 HG SER 29 -1.969 9.538 4.180
198 H ARG 30 H ARG 30 -2.321 7.097 7.009
199 HA ARG 30 HA ARG 30 -0.565 8.595 8.440
200 HB2 ARG 30 1HB ARG 30 -2.378 6.460 9.579
201 HB3 ARG 30 2HB ARG 30 -1.685 7.802 10.480
202 HG2 ARG 30 1HG ARG 30 -2.952 9.388 9.183
203 HG3 ARG 30 2HG ARG 30 -3.567 8.096 8.149
204 HD2 ARG 30 1HD ARG 30 -4.121 8.511 11.082
205 HD3 ARG 30 2HD ARG 30 -5.261 8.674 9.747
206 HE ARG 30 HE ARG 30 -5.465 6.375 9.661
207 HH11 ARG 30 1HH1 ARG 30 -2.903 7.283 11.837
208 HH12 ARG 30 2HH1 ARG 30 -2.740 5.697 12.515
209 HH21 ARG 30 1HH2 ARG 30 -5.259 4.282 10.546
210 HH22 ARG 30 2HH2 ARG 30 -4.080 3.991 11.780
211 H HIS 31 H HIS 31 -0.563 5.090 8.118
212 HA HIS 31 HA HIS 31 1.483 4.641 10.057
213 HB2 HIS 31 1HB HIS 31 0.210 2.739 9.706
214 HB3 HIS 31 2HB HIS 31 0.129 2.986 7.965
215 HD1 HIS 31 HD1 HIS 31 2.436 1.685 10.642
216 HD2 HIS 31 HD2 HIS 31 2.103 1.730 6.501
217 HE1 HIS 31 HE1 HIS 31 4.196 0.093 9.808
218 H GLN 32 H GLN 32 1.529 4.301 6.502
219 HA GLN 32 HA GLN 32 4.095 3.825 5.957
220 HB2 GLN 32 1HB GLN 32 2.221 5.762 4.630
221 HB3 GLN 32 2HB GLN 32 3.849 5.516 4.011
222 HG2 GLN 32 1HG GLN 32 3.236 3.018 4.002
223 HG3 GLN 32 2HG GLN 32 1.571 3.583 4.136
224 HE21 GLN 32 1HE2 GLN 32 2.781 2.126 1.970
225 HE22 GLN 32 2HE2 GLN 32 2.640 3.115 0.561
226 H ARG 33 H ARG 33 2.869 6.824 7.266
227 HA ARG 33 HA ARG 33 4.895 8.602 6.829
228 HB2 ARG 33 1HB ARG 33 3.412 8.196 9.433
229 HB3 ARG 33 2HB ARG 33 4.297 9.645 8.978
230 HG2 ARG 33 1HG ARG 33 2.670 9.538 6.892
231 HG3 ARG 33 2HG ARG 33 1.667 8.652 8.042
232 HD2 ARG 33 1HD ARG 33 1.019 10.895 8.276
233 HD3 ARG 33 2HD ARG 33 2.084 10.583 9.646
234 HE ARG 33 HE ARG 33 3.439 11.674 7.359
235 HH11 ARG 33 1HH1 ARG 33 1.623 12.419 10.235
236 HH12 ARG 33 2HH1 ARG 33 2.281 14.014 10.395
237 HH21 ARG 33 1HH2 ARG 33 4.312 13.772 7.559
238 HH22 ARG 33 2HH2 ARG 33 3.810 14.782 8.871
239 H ILE 34 H ILE 34 4.742 6.288 9.536
240 HA ILE 34 HA ILE 34 7.019 6.797 10.887
241 HB ILE 34 HB ILE 34 7.184 4.470 11.488
242 HG12 ILE 34 1HG1 ILE 34 5.109 3.653 9.504
243 HG13 ILE 34 2HG1 ILE 34 6.767 3.835 8.943
244 HG21 ILE 34 1HG2 ILE 34 5.390 4.869 12.732
245 HG22 ILE 34 2HG2 ILE 34 4.723 5.942 11.503
246 HG23 ILE 34 3HG2 ILE 34 4.393 4.211 11.435
247 HD11 ILE 34 3HD1 ILE 34 6.293 2.229 11.390
248 HD12 ILE 34 1HD1 ILE 34 5.840 1.538 9.832
249 HD13 ILE 34 2HD1 ILE 34 7.506 2.039 10.124
250 H HIS 35 H HIS 35 6.812 5.622 7.639
251 HA HIS 35 HA HIS 35 9.649 4.943 7.555
252 HB2 HIS 35 1HB HIS 35 7.530 4.776 5.402
253 HB3 HIS 35 2HB HIS 35 9.182 4.183 5.259
254 HD1 HIS 35 HD1 HIS 35 9.756 2.347 7.319
255 HD2 HIS 35 HD2 HIS 35 5.816 2.812 6.084
256 HE1 HIS 35 HE1 HIS 35 8.565 0.264 8.073
257 H THR 36 H THR 36 7.413 6.995 5.677
258 HA THR 36 HA THR 36 9.562 8.477 4.492
259 HB THR 36 HB THR 36 7.750 9.941 3.597
260 HG1 THR 36 HG1 THR 36 6.290 9.581 5.399
261 HG21 THR 36 3HG2 THR 36 6.645 7.323 2.953
262 HG22 THR 36 1HG2 THR 36 8.406 7.357 2.886
263 HG23 THR 36 2HG2 THR 36 7.464 8.489 1.915
264 H GLY 37 H GLY 37 10.758 9.480 6.084
265 HA2 GLY 37 1HA GLY 37 9.460 11.801 7.313
266 HA3 GLY 37 2HA GLY 37 10.275 10.664 8.376
267 H GLU 38 H GLU 38 12.560 10.419 8.207
268 HA GLU 38 HA GLU 38 14.011 12.743 8.065
269 HB2 GLU 38 1HB GLU 38 15.019 9.951 7.490
270 HB3 GLU 38 2HB GLU 38 16.024 11.332 7.907
271 HG2 GLU 38 1HG GLU 38 14.606 11.450 10.047
272 HG3 GLU 38 2HG GLU 38 14.111 9.811 9.630
273 H LYS 39 H LYS 39 13.983 14.082 6.365
274 HA LYS 39 HA LYS 39 14.644 12.961 3.721
275 HB2 LYS 39 1HB LYS 39 12.844 15.257 4.474
276 HB3 LYS 39 2HB LYS 39 13.474 15.060 2.844
277 HG2 LYS 39 1HG LYS 39 11.950 12.880 4.231
278 HG3 LYS 39 2HG LYS 39 11.146 14.159 3.317
279 HD2 LYS 39 1HD LYS 39 12.623 13.527 1.369
280 HD3 LYS 39 2HD LYS 39 13.108 12.110 2.303
281 HE2 LYS 39 1HE LYS 39 10.228 12.759 1.735
282 HE3 LYS 39 2HE LYS 39 11.214 11.803 0.629
283 HZ1 LYS 39 3HZ LYS 39 11.647 10.265 2.492
284 HZ2 LYS 39 1HZ LYS 39 10.011 10.341 2.066
285 HZ3 LYS 39 2HZ LYS 39 10.563 11.144 3.449
286 HA PRO 40 HA PRO 40 18.243 15.479 3.643
287 HB2 PRO 40 1HB PRO 40 18.485 15.916 0.975
288 HB3 PRO 40 2HB PRO 40 18.829 14.354 1.727
289 HG2 PRO 40 1HG PRO 40 16.367 15.259 0.285
290 HG3 PRO 40 2HG PRO 40 17.223 13.710 0.175
291 HD2 PRO 40 1HD PRO 40 14.971 14.029 1.645
292 HD3 PRO 40 2HD PRO 40 16.259 12.897 2.104
293 H SER 41 H SER 41 19.076 17.598 2.877
294 HA SER 41 HA SER 41 17.637 19.738 3.658
295 HB2 SER 41 1HB SER 41 19.610 19.692 1.362
296 HB3 SER 41 2HB SER 41 19.077 21.146 2.204
297 HG SER 41 HG SER 41 21.121 19.880 2.870
298 H GLY 42 H GLY 42 15.996 20.974 2.951
299 HA2 GLY 42 1HA GLY 42 14.330 21.797 1.595
300 HA3 GLY 42 2HA GLY 42 15.286 21.273 0.216
301 HA PRO 43 HA PRO 43 12.663 17.413 1.441
302 HB2 PRO 43 1HB PRO 43 10.876 17.714 3.462
303 HB3 PRO 43 2HB PRO 43 12.544 17.193 3.725
304 HG2 PRO 43 1HG PRO 43 11.334 19.911 4.055
305 HG3 PRO 43 2HG PRO 43 12.481 19.061 5.108
306 HD2 PRO 43 1HD PRO 43 13.253 20.983 3.364
307 HD3 PRO 43 2HD PRO 43 14.290 19.606 3.788
308 H SER 44 H SER 44 10.881 20.413 2.175
309 HA SER 44 HA SER 44 8.677 19.526 0.479
310 HB2 SER 44 1HB SER 44 8.406 20.636 2.800
311 HB3 SER 44 2HB SER 44 8.779 22.143 1.964
312 HG SER 44 HG SER 44 6.666 22.076 1.690
313 H SER 45 H SER 45 11.021 20.011 -0.919
314 HA SER 45 HA SER 45 11.946 21.220 -2.623
315 HB2 SER 45 1HB SER 45 8.986 21.451 -2.999
316 HB3 SER 45 2HB SER 45 10.054 22.361 -4.066
317 HG SER 45 HG SER 45 9.536 19.676 -3.982
318 H GLY 46 H GLY 46 12.087 22.582 -0.206
319 HA2 GLY 46 1HA GLY 46 12.521 25.244 -1.117
320 HA3 GLY 46 2HA GLY 46 11.089 25.161 -0.102
Start of MODEL 15
1 H1 GLY 1 H GLY 1 12.953 -14.156 -2.217
2 HA2 GLY 1 1HA GLY 1 14.763 -16.341 -2.953
3 HA3 GLY 1 2HA GLY 1 13.958 -16.430 -1.393
4 H SER 2 H SER 2 11.911 -17.178 -1.284
5 HA SER 2 HA SER 2 10.840 -18.637 -3.415
6 HB2 SER 2 1HB SER 2 8.752 -18.713 -1.995
7 HB3 SER 2 2HB SER 2 10.226 -19.229 -1.176
8 HG SER 2 HG SER 2 8.582 -17.112 -0.646
9 H SER 3 H SER 3 8.844 -18.319 -4.575
10 HA SER 3 HA SER 3 8.636 -15.656 -5.629
11 HB2 SER 3 1HB SER 3 8.335 -17.981 -6.831
12 HB3 SER 3 2HB SER 3 6.663 -17.808 -6.298
13 HG SER 3 HG SER 3 7.117 -15.524 -7.289
14 H GLY 4 H GLY 4 6.305 -17.860 -4.059
15 HA2 GLY 4 1HA GLY 4 5.224 -16.050 -2.276
16 HA3 GLY 4 2HA GLY 4 4.313 -15.842 -3.764
17 H SER 5 H SER 5 4.182 -17.289 -0.878
18 HA SER 5 HA SER 5 3.237 -19.897 -1.645
19 HB2 SER 5 1HB SER 5 2.641 -20.102 0.770
20 HB3 SER 5 2HB SER 5 4.324 -19.645 0.507
21 HG SER 5 HG SER 5 2.176 -17.940 1.235
22 H SER 6 H SER 6 1.049 -20.650 -0.907
23 HA SER 6 HA SER 6 -0.992 -19.559 -2.294
24 HB2 SER 6 1HB SER 6 -1.172 -20.948 0.388
25 HB3 SER 6 2HB SER 6 -2.555 -20.645 -0.663
26 HG SER 6 HG SER 6 -1.391 -21.864 -2.288
27 H GLY 7 H GLY 7 -0.610 -18.983 1.212
28 HA2 GLY 7 1HA GLY 7 -1.090 -17.135 2.491
29 HA3 GLY 7 2HA GLY 7 -1.038 -16.189 1.011
30 H THR 8 H THR 8 -2.951 -16.933 3.523
31 HA THR 8 HA THR 8 -5.425 -16.761 1.929
32 HB THR 8 HB THR 8 -5.066 -17.864 4.723
33 HG1 THR 8 HG1 THR 8 -4.603 -19.604 3.610
34 HG21 THR 8 3HG2 THR 8 -7.294 -16.656 3.895
35 HG22 THR 8 1HG2 THR 8 -7.328 -18.094 4.914
36 HG23 THR 8 2HG2 THR 8 -7.570 -18.241 3.173
37 H GLY 9 H GLY 9 -6.143 -14.731 1.875
38 HA2 GLY 9 1HA GLY 9 -7.292 -12.950 2.966
39 HA3 GLY 9 2HA GLY 9 -6.352 -13.273 4.416
40 H GLU 10 H GLU 10 -6.522 -11.540 1.447
41 HA GLU 10 HA GLU 10 -4.193 -9.973 2.257
42 HB2 GLU 10 1HB GLU 10 -3.395 -11.657 0.618
43 HB3 GLU 10 2HB GLU 10 -4.551 -11.033 -0.550
44 HG2 GLU 10 1HG GLU 10 -2.417 -10.116 -1.057
45 HG3 GLU 10 2HG GLU 10 -3.423 -8.826 -0.401
46 H LYS 11 H LYS 11 -4.790 -7.922 2.343
47 HA LYS 11 HA LYS 11 -7.182 -7.019 0.995
48 HB2 LYS 11 1HB LYS 11 -5.320 -5.884 3.035
49 HB3 LYS 11 2HB LYS 11 -6.332 -4.777 2.116
50 HG2 LYS 11 1HG LYS 11 -7.430 -5.313 4.174
51 HG3 LYS 11 2HG LYS 11 -8.320 -6.058 2.845
52 HD2 LYS 11 1HD LYS 11 -6.850 -8.135 3.368
53 HD3 LYS 11 2HD LYS 11 -6.589 -7.342 4.923
54 HE2 LYS 11 1HE LYS 11 -8.426 -8.765 5.262
55 HE3 LYS 11 2HE LYS 11 -9.122 -7.156 5.073
56 HZ1 LYS 11 3HZ LYS 11 -8.865 -8.585 2.594
57 HZ2 LYS 11 1HZ LYS 11 -10.199 -7.768 3.238
58 HZ3 LYS 11 2HZ LYS 11 -9.879 -9.363 3.702
59 HA PRO 12 HA PRO 12 -5.390 -5.047 -2.491
60 HB2 PRO 12 1HB PRO 12 -6.845 -2.763 -2.680
61 HB3 PRO 12 2HB PRO 12 -7.504 -4.356 -3.067
62 HG2 PRO 12 1HG PRO 12 -7.801 -2.742 -0.564
63 HG3 PRO 12 2HG PRO 12 -9.026 -3.671 -1.448
64 HD2 PRO 12 1HD PRO 12 -7.815 -4.610 0.785
65 HD3 PRO 12 2HD PRO 12 -8.347 -5.675 -0.532
66 H TYR 13 H TYR 13 -5.200 -3.610 0.589
67 HA TYR 13 HA TYR 13 -3.192 -1.688 -0.392
68 HB2 TYR 13 1HB TYR 13 -4.969 -1.419 2.041
69 HB3 TYR 13 2HB TYR 13 -3.739 -0.265 1.537
70 HD1 TYR 13 HD1 TYR 13 -4.064 1.054 -0.541
71 HD2 TYR 13 HD2 TYR 13 -7.123 -1.457 1.019
72 HE1 TYR 13 HE1 TYR 13 -5.722 2.219 -1.935
73 HE2 TYR 13 HE2 TYR 13 -8.790 -0.300 -0.371
74 HH TYR 13 HH TYR 13 -8.710 2.370 -1.498
75 H LYS 14 H LYS 14 -1.221 -2.377 0.080
76 HA LYS 14 HA LYS 14 -0.674 -3.373 2.776
77 HB2 LYS 14 1HB LYS 14 -0.918 -5.409 1.547
78 HB3 LYS 14 2HB LYS 14 0.046 -4.791 0.211
79 HG2 LYS 14 1HG LYS 14 2.031 -4.805 1.613
80 HG3 LYS 14 2HG LYS 14 1.073 -5.377 2.981
81 HD2 LYS 14 1HD LYS 14 0.833 -7.487 2.104
82 HD3 LYS 14 2HD LYS 14 1.017 -6.932 0.439
83 HE2 LYS 14 1HE LYS 14 3.399 -6.567 0.818
84 HE3 LYS 14 2HE LYS 14 3.222 -7.084 2.494
85 HZ1 LYS 14 3HZ LYS 14 3.902 -8.700 0.459
86 HZ2 LYS 14 1HZ LYS 14 2.235 -8.976 0.550
87 HZ3 LYS 14 2HZ LYS 14 3.209 -9.229 1.909
88 H CYS 15 H CYS 15 1.293 -2.787 3.584
89 HA CYS 15 HA CYS 15 2.702 -0.708 2.187
90 HB2 CYS 15 1HB CYS 15 2.307 -0.675 4.649
91 HB3 CYS 15 2HB CYS 15 3.404 -2.044 4.809
92 H ASN 16 H ASN 16 4.768 -0.746 1.368
93 HA ASN 16 HA ASN 16 5.846 -3.415 0.827
94 HB2 ASN 16 1HB ASN 16 5.331 -1.694 -1.018
95 HB3 ASN 16 2HB ASN 16 6.776 -0.856 -0.460
96 HD21 ASN 16 1HD2 ASN 16 6.908 -1.560 -2.949
97 HD22 ASN 16 2HD2 ASN 16 7.880 -2.966 -3.198
98 H GLU 17 H GLU 17 6.595 -0.397 2.397
99 HA GLU 17 HA GLU 17 9.372 -0.709 2.683
100 HB2 GLU 17 1HB GLU 17 7.296 0.795 4.253
101 HB3 GLU 17 2HB GLU 17 8.978 0.774 4.763
102 HG2 GLU 17 1HG GLU 17 9.477 1.543 2.350
103 HG3 GLU 17 2HG GLU 17 7.768 1.972 2.309
104 H CYS 18 H CYS 18 6.713 -1.582 4.880
105 HA CYS 18 HA CYS 18 8.605 -3.237 6.408
106 HB2 CYS 18 1HB CYS 18 7.006 -3.137 8.244
107 HB3 CYS 18 2HB CYS 18 7.402 -1.510 7.700
108 H GLY 19 H GLY 19 5.416 -3.252 4.871
109 HA2 GLY 19 1HA GLY 19 4.933 -5.299 3.555
110 HA3 GLY 19 2HA GLY 19 5.507 -6.206 4.946
111 H LYS 20 H LYS 20 4.199 -4.457 6.879
112 HA LYS 20 HA LYS 20 1.942 -5.766 7.501
113 HB2 LYS 20 1HB LYS 20 2.768 -2.935 7.892
114 HB3 LYS 20 2HB LYS 20 1.100 -3.348 8.264
115 HG2 LYS 20 1HG LYS 20 1.970 -5.162 9.749
116 HG3 LYS 20 2HG LYS 20 3.590 -4.511 9.486
117 HD2 LYS 20 1HD LYS 20 3.121 -2.544 10.629
118 HD3 LYS 20 2HD LYS 20 1.377 -2.728 10.430
119 HE2 LYS 20 1HE LYS 20 1.477 -4.694 11.953
120 HE3 LYS 20 2HE LYS 20 3.183 -4.343 12.228
121 HZ1 LYS 20 3HZ LYS 20 2.229 -2.000 12.832
122 HZ2 LYS 20 1HZ LYS 20 2.236 -3.250 13.972
123 HZ3 LYS 20 2HZ LYS 20 0.814 -2.876 13.137
124 H VAL 21 H VAL 21 -0.309 -5.520 7.162
125 HA VAL 21 HA VAL 21 -0.983 -4.275 4.576
126 HB VAL 21 HB VAL 21 -2.337 -6.633 5.894
127 HG11 VAL 21 1HG1 VAL 21 -3.825 -5.227 4.516
128 HG12 VAL 21 2HG1 VAL 21 -2.737 -5.455 3.146
129 HG13 VAL 21 3HG1 VAL 21 -3.591 -6.837 3.835
130 HG21 VAL 21 3HG2 VAL 21 -0.112 -7.219 5.096
131 HG22 VAL 21 1HG2 VAL 21 -1.351 -7.959 4.082
132 HG23 VAL 21 2HG2 VAL 21 -0.483 -6.532 3.515
133 H PHE 22 H PHE 22 -3.033 -3.270 4.365
134 HA PHE 22 HA PHE 22 -4.431 -2.675 6.877
135 HB2 PHE 22 1HB PHE 22 -3.649 -0.601 4.816
136 HB3 PHE 22 2HB PHE 22 -4.582 -0.306 6.280
137 HD1 PHE 22 HD1 PHE 22 -1.312 -1.783 5.256
138 HD2 PHE 22 HD2 PHE 22 -3.471 0.529 8.103
139 HE1 PHE 22 HE1 PHE 22 0.773 -1.367 6.494
140 HE2 PHE 22 HE2 PHE 22 -1.389 0.950 9.345
141 HZ PHE 22 HZ PHE 22 0.737 0.002 8.541
142 H ARG 23 H ARG 23 -6.628 -2.065 6.643
143 HA ARG 23 HA ARG 23 -7.974 -3.404 4.530
144 HB2 ARG 23 1HB ARG 23 -9.079 -1.456 6.562
145 HB3 ARG 23 2HB ARG 23 -10.025 -2.554 5.566
146 HG2 ARG 23 1HG ARG 23 -9.366 -4.418 6.759
147 HG3 ARG 23 2HG ARG 23 -7.916 -3.630 7.385
148 HD2 ARG 23 1HD ARG 23 -9.296 -2.198 8.798
149 HD3 ARG 23 2HD ARG 23 -10.753 -2.952 8.153
150 HE ARG 23 HE ARG 23 -9.051 -3.981 10.200
151 HH11 ARG 23 1HH1 ARG 23 -11.185 -4.884 7.602
152 HH12 ARG 23 2HH1 ARG 23 -11.584 -6.423 8.290
153 HH21 ARG 23 1HH2 ARG 23 -9.570 -6.005 11.117
154 HH22 ARG 23 2HH2 ARG 23 -10.666 -7.059 10.290
155 H HIS 24 H HIS 24 -7.677 0.042 5.376
156 HA HIS 24 HA HIS 24 -8.437 0.690 2.602
157 HB2 HIS 24 1HB HIS 24 -9.940 1.431 4.603
158 HB3 HIS 24 2HB HIS 24 -8.698 2.653 4.857
159 HD1 HIS 24 HD1 HIS 24 -9.226 4.786 3.748
160 HD2 HIS 24 HD2 HIS 24 -10.824 1.552 1.687
161 HE1 HIS 24 HE1 HIS 24 -10.466 5.778 1.797
162 H ASN 25 H ASN 25 -7.520 2.802 1.829
163 HA ASN 25 HA ASN 25 -4.688 2.743 2.090
164 HB2 ASN 25 1HB ASN 25 -4.879 4.896 0.685
165 HB3 ASN 25 2HB ASN 25 -5.463 3.396 -0.030
166 HD21 ASN 25 1HD2 ASN 25 -7.761 2.993 0.038
167 HD22 ASN 25 2HD2 ASN 25 -8.858 4.327 0.006
168 H SER 26 H SER 26 -7.185 5.039 3.139
169 HA SER 26 HA SER 26 -5.770 7.098 4.152
170 HB2 SER 26 1HB SER 26 -8.317 6.547 4.323
171 HB3 SER 26 2HB SER 26 -7.888 5.883 5.899
172 HG SER 26 HG SER 26 -8.210 7.919 6.434
173 H TYR 27 H TYR 27 -6.394 4.072 5.924
174 HA TYR 27 HA TYR 27 -4.881 4.725 8.198
175 HB2 TYR 27 1HB TYR 27 -5.422 1.968 7.075
176 HB3 TYR 27 2HB TYR 27 -4.968 2.350 8.732
177 HD1 TYR 27 HD2 TYR 27 -6.581 3.788 10.102
178 HD2 TYR 27 HD1 TYR 27 -7.675 1.919 6.439
179 HE1 TYR 27 HE2 TYR 27 -8.954 4.006 10.706
180 HE2 TYR 27 HE1 TYR 27 -10.052 2.134 7.033
181 HH TYR 27 HH TYR 27 -11.467 3.538 8.486
182 H LEU 28 H LEU 28 -4.013 2.997 5.229
183 HA LEU 28 HA LEU 28 -1.414 2.259 5.956
184 HB2 LEU 28 1HB LEU 28 -2.380 1.262 4.042
185 HB3 LEU 28 2HB LEU 28 -2.686 2.827 3.293
186 HG LEU 28 HG LEU 28 -0.256 3.124 2.985
187 HD11 LEU 28 1HD1 LEU 28 0.827 0.625 3.200
188 HD12 LEU 28 2HD1 LEU 28 -0.196 0.713 4.633
189 HD13 LEU 28 3HD1 LEU 28 1.045 1.936 4.360
190 HD21 LEU 28 3HD2 LEU 28 -1.997 1.436 1.580
191 HD22 LEU 28 1HD2 LEU 28 -0.456 0.583 1.663
192 HD23 LEU 28 2HD2 LEU 28 -0.528 2.208 0.982
193 H SER 29 H SER 29 -2.405 5.006 3.902
194 HA SER 29 HA SER 29 -0.020 6.252 3.533
195 HB2 SER 29 1HB SER 29 -2.759 7.418 4.008
196 HB3 SER 29 2HB SER 29 -1.371 8.441 3.639
197 HG SER 29 HG SER 29 -2.612 7.778 1.779
198 H ARG 30 H ARG 30 -2.177 6.807 6.316
199 HA ARG 30 HA ARG 30 -0.545 8.594 7.694
200 HB2 ARG 30 1HB ARG 30 -2.676 6.665 8.555
201 HB3 ARG 30 2HB ARG 30 -1.774 7.580 9.756
202 HG2 ARG 30 1HG ARG 30 -2.729 9.562 9.172
203 HG3 ARG 30 2HG ARG 30 -2.976 9.075 7.494
204 HD2 ARG 30 1HD ARG 30 -4.954 8.025 7.946
205 HD3 ARG 30 2HD ARG 30 -4.489 7.627 9.599
206 HE ARG 30 HE ARG 30 -5.762 10.058 8.680
207 HH11 ARG 30 1HH1 ARG 30 -4.009 8.468 11.233
208 HH12 ARG 30 2HH1 ARG 30 -4.555 9.558 12.464
209 HH21 ARG 30 1HH2 ARG 30 -6.488 11.499 10.292
210 HH22 ARG 30 2HH2 ARG 30 -5.965 11.281 11.928
211 H HIS 31 H HIS 31 -0.604 5.062 7.732
212 HA HIS 31 HA HIS 31 1.226 4.692 9.840
213 HB2 HIS 31 1HB HIS 31 0.111 2.740 9.348
214 HB3 HIS 31 2HB HIS 31 0.189 3.007 7.609
215 HD1 HIS 31 HD1 HIS 31 2.392 1.894 10.478
216 HD2 HIS 31 HD2 HIS 31 2.216 1.690 6.333
217 HE1 HIS 31 HE1 HIS 31 4.247 0.336 9.803
218 H GLN 32 H GLN 32 1.778 4.432 6.322
219 HA GLN 32 HA GLN 32 4.418 3.996 6.160
220 HB2 GLN 32 1HB GLN 32 2.964 6.115 4.566
221 HB3 GLN 32 2HB GLN 32 4.478 5.344 4.109
222 HG2 GLN 32 1HG GLN 32 3.041 3.152 4.352
223 HG3 GLN 32 2HG GLN 32 1.710 4.272 4.064
224 HE21 GLN 32 1HE2 GLN 32 4.810 3.192 2.768
225 HE22 GLN 32 2HE2 GLN 32 4.420 3.477 1.109
226 H ARG 33 H ARG 33 2.934 6.892 7.380
227 HA ARG 33 HA ARG 33 4.918 8.772 7.200
228 HB2 ARG 33 1HB ARG 33 3.182 8.258 9.623
229 HB3 ARG 33 2HB ARG 33 4.015 9.761 9.250
230 HG2 ARG 33 1HG ARG 33 2.058 8.618 7.307
231 HG3 ARG 33 2HG ARG 33 1.494 9.519 8.715
232 HD2 ARG 33 1HD ARG 33 1.665 11.160 7.083
233 HD3 ARG 33 2HD ARG 33 3.187 11.313 7.960
234 HE ARG 33 HE ARG 33 4.313 10.576 6.092
235 HH11 ARG 33 1HH1 ARG 33 0.889 10.106 5.675
236 HH12 ARG 33 2HH1 ARG 33 1.015 9.723 3.990
237 HH21 ARG 33 1HH2 ARG 33 4.491 10.073 3.874
238 HH22 ARG 33 2HH2 ARG 33 3.064 9.703 2.967
239 H ILE 34 H ILE 34 4.583 6.281 9.717
240 HA ILE 34 HA ILE 34 6.712 6.919 11.332
241 HB ILE 34 HB ILE 34 6.802 4.611 12.022
242 HG12 ILE 34 1HG1 ILE 34 4.882 3.751 9.903
243 HG13 ILE 34 2HG1 ILE 34 6.584 3.890 9.477
244 HG21 ILE 34 1HG2 ILE 34 4.049 4.332 11.820
245 HG22 ILE 34 2HG2 ILE 34 4.935 5.157 13.102
246 HG23 ILE 34 3HG2 ILE 34 4.323 6.072 11.724
247 HD11 ILE 34 3HD1 ILE 34 6.913 1.873 10.307
248 HD12 ILE 34 1HD1 ILE 34 6.475 2.479 11.904
249 HD13 ILE 34 2HD1 ILE 34 5.238 1.791 10.852
250 H HIS 35 H HIS 35 6.768 5.634 8.121
251 HA HIS 35 HA HIS 35 9.522 4.764 8.261
252 HB2 HIS 35 1HB HIS 35 7.647 5.046 5.903
253 HB3 HIS 35 2HB HIS 35 9.251 4.323 5.836
254 HD1 HIS 35 HD1 HIS 35 9.144 2.542 8.329
255 HD2 HIS 35 HD2 HIS 35 6.050 2.871 5.576
256 HE1 HIS 35 HE1 HIS 35 7.802 0.428 8.570
257 H THR 36 H THR 36 7.711 7.423 6.769
258 HA THR 36 HA THR 36 10.107 8.668 5.754
259 HB THR 36 HB THR 36 8.565 10.540 5.124
260 HG1 THR 36 HG1 THR 36 6.875 10.467 6.484
261 HG21 THR 36 3HG2 THR 36 8.143 9.455 3.211
262 HG22 THR 36 1HG2 THR 36 7.111 8.273 4.016
263 HG23 THR 36 2HG2 THR 36 8.859 8.040 3.982
264 H GLY 37 H GLY 37 10.332 8.295 8.494
265 HA2 GLY 37 1HA GLY 37 9.552 10.542 10.029
266 HA3 GLY 37 2HA GLY 37 10.819 9.399 10.449
267 H GLU 38 H GLU 38 12.773 10.246 10.648
268 HA GLU 38 HA GLU 38 13.303 12.879 9.519
269 HB2 GLU 38 1HB GLU 38 13.826 12.285 11.920
270 HB3 GLU 38 2HB GLU 38 15.099 11.239 11.307
271 HG2 GLU 38 1HG GLU 38 15.880 13.403 10.074
272 HG3 GLU 38 2HG GLU 38 14.928 14.212 11.317
273 H LYS 39 H LYS 39 13.182 11.529 7.376
274 HA LYS 39 HA LYS 39 15.900 10.609 6.710
275 HB2 LYS 39 1HB LYS 39 14.095 8.907 6.475
276 HB3 LYS 39 2HB LYS 39 13.318 9.943 5.285
277 HG2 LYS 39 1HG LYS 39 14.463 8.457 3.957
278 HG3 LYS 39 2HG LYS 39 15.598 9.806 4.054
279 HD2 LYS 39 1HD LYS 39 16.993 8.033 4.496
280 HD3 LYS 39 2HD LYS 39 16.506 8.486 6.131
281 HE2 LYS 39 1HE LYS 39 14.972 6.435 4.575
282 HE3 LYS 39 2HE LYS 39 16.436 5.995 5.451
283 HZ1 LYS 39 3HZ LYS 39 14.956 5.659 7.100
284 HZ2 LYS 39 1HZ LYS 39 13.816 6.739 6.471
285 HZ3 LYS 39 2HZ LYS 39 15.144 7.322 7.341
286 HA PRO 40 HA PRO 40 15.394 14.597 4.468
287 HB2 PRO 40 1HB PRO 40 17.999 15.314 4.726
288 HB3 PRO 40 2HB PRO 40 16.788 15.631 5.973
289 HG2 PRO 40 1HG PRO 40 18.810 13.429 5.812
290 HG3 PRO 40 2HG PRO 40 18.334 14.411 7.210
291 HD2 PRO 40 1HD PRO 40 17.404 11.900 6.809
292 HD3 PRO 40 2HD PRO 40 16.438 13.161 7.602
293 H SER 41 H SER 41 17.647 11.935 4.163
294 HA SER 41 HA SER 41 18.613 12.713 1.573
295 HB2 SER 41 1HB SER 41 19.754 11.198 3.374
296 HB3 SER 41 2HB SER 41 18.807 9.911 2.630
297 HG SER 41 HG SER 41 20.872 11.468 1.532
298 H GLY 42 H GLY 42 18.061 11.883 -0.423
299 HA2 GLY 42 1HA GLY 42 16.847 9.982 -1.558
300 HA3 GLY 42 2HA GLY 42 15.516 10.385 -0.483
301 HA PRO 43 HA PRO 43 15.933 14.096 -3.564
302 HB2 PRO 43 1HB PRO 43 17.618 13.743 -5.662
303 HB3 PRO 43 2HB PRO 43 18.131 14.453 -4.127
304 HG2 PRO 43 1HG PRO 43 18.468 11.650 -5.123
305 HG3 PRO 43 2HG PRO 43 19.633 12.685 -4.277
306 HD2 PRO 43 1HD PRO 43 18.226 10.744 -3.019
307 HD3 PRO 43 2HD PRO 43 18.712 12.248 -2.210
308 H SER 44 H SER 44 13.854 13.089 -3.939
309 HA SER 44 HA SER 44 13.526 11.209 -6.081
310 HB2 SER 44 1HB SER 44 11.676 12.705 -4.260
311 HB3 SER 44 2HB SER 44 11.026 11.936 -5.708
312 HG SER 44 HG SER 44 10.961 10.526 -3.921
313 H SER 45 H SER 45 14.120 11.963 -8.042
314 HA SER 45 HA SER 45 14.014 14.516 -9.035
315 HB2 SER 45 1HB SER 45 15.017 12.438 -10.125
316 HB3 SER 45 2HB SER 45 13.399 12.101 -10.741
317 HG SER 45 HG SER 45 14.573 13.280 -12.264
318 H GLY 46 H GLY 46 12.554 15.086 -11.054
319 HA2 GLY 46 1HA GLY 46 10.453 15.542 -11.903
320 HA3 GLY 46 2HA GLY 46 9.803 14.285 -10.861
Start of MODEL 16
1 H1 GLY 1 H GLY 1 12.888 -18.654 13.528
2 HA2 GLY 1 1HA GLY 1 12.242 -19.344 11.362
3 HA3 GLY 1 2HA GLY 1 12.192 -21.006 11.932
4 H SER 2 H SER 2 10.203 -19.412 10.432
5 HA SER 2 HA SER 2 8.037 -18.839 12.205
6 HB2 SER 2 1HB SER 2 8.212 -19.140 9.205
7 HB3 SER 2 2HB SER 2 6.704 -18.764 10.038
8 HG SER 2 HG SER 2 7.712 -16.892 10.864
9 H SER 3 H SER 3 5.812 -19.921 11.531
10 HA SER 3 HA SER 3 6.209 -22.806 11.910
11 HB2 SER 3 1HB SER 3 4.141 -20.861 12.814
12 HB3 SER 3 2HB SER 3 3.623 -22.518 12.509
13 HG SER 3 HG SER 3 5.819 -22.747 13.875
14 H GLY 4 H GLY 4 4.081 -20.521 10.193
15 HA2 GLY 4 1HA GLY 4 4.168 -21.475 7.684
16 HA3 GLY 4 2HA GLY 4 3.102 -22.634 8.463
17 H SER 5 H SER 5 1.959 -21.425 6.464
18 HA SER 5 HA SER 5 0.546 -19.062 7.470
19 HB2 SER 5 1HB SER 5 0.731 -20.275 4.705
20 HB3 SER 5 2HB SER 5 -0.307 -18.906 5.104
21 HG SER 5 HG SER 5 2.145 -18.749 4.361
22 H SER 6 H SER 6 -1.485 -19.169 8.170
23 HA SER 6 HA SER 6 -2.828 -21.695 8.309
24 HB2 SER 6 1HB SER 6 -2.874 -19.736 10.016
25 HB3 SER 6 2HB SER 6 -4.127 -19.065 8.972
26 HG SER 6 HG SER 6 -4.946 -21.431 9.246
27 H GLY 7 H GLY 7 -3.441 -18.627 6.623
28 HA2 GLY 7 1HA GLY 7 -4.213 -18.900 4.272
29 HA3 GLY 7 2HA GLY 7 -5.350 -20.085 4.899
30 H THR 8 H THR 8 -4.580 -16.690 4.647
31 HA THR 8 HA THR 8 -7.373 -16.072 5.317
32 HB THR 8 HB THR 8 -6.046 -15.494 7.288
33 HG1 THR 8 HG1 THR 8 -6.639 -13.233 7.321
34 HG21 THR 8 3HG2 THR 8 -4.558 -13.500 5.596
35 HG22 THR 8 1HG2 THR 8 -3.921 -15.108 5.933
36 HG23 THR 8 2HG2 THR 8 -4.230 -13.986 7.259
37 H GLY 9 H GLY 9 -8.141 -14.039 4.426
38 HA2 GLY 9 1HA GLY 9 -7.394 -13.691 1.729
39 HA3 GLY 9 2HA GLY 9 -8.457 -12.630 2.641
40 H GLU 10 H GLU 10 -6.837 -11.529 0.773
41 HA GLU 10 HA GLU 10 -4.827 -10.140 2.418
42 HB2 GLU 10 1HB GLU 10 -4.594 -10.994 -0.470
43 HB3 GLU 10 2HB GLU 10 -3.492 -9.864 0.305
44 HG2 GLU 10 1HG GLU 10 -2.550 -11.488 1.644
45 HG3 GLU 10 2HG GLU 10 -3.946 -12.555 1.509
46 H LYS 11 H LYS 11 -5.004 -7.991 2.471
47 HA LYS 11 HA LYS 11 -7.170 -6.710 1.096
48 HB2 LYS 11 1HB LYS 11 -4.985 -5.370 2.690
49 HB3 LYS 11 2HB LYS 11 -6.597 -4.754 2.352
50 HG2 LYS 11 1HG LYS 11 -6.369 -7.321 3.824
51 HG3 LYS 11 2HG LYS 11 -5.970 -5.829 4.678
52 HD2 LYS 11 1HD LYS 11 -8.211 -5.941 5.119
53 HD3 LYS 11 2HD LYS 11 -8.251 -5.026 3.610
54 HE2 LYS 11 1HE LYS 11 -9.905 -6.807 3.577
55 HE3 LYS 11 2HE LYS 11 -8.654 -7.100 2.370
56 HZ1 LYS 11 3HZ LYS 11 -8.676 -8.347 5.063
57 HZ2 LYS 11 1HZ LYS 11 -7.648 -8.721 3.773
58 HZ3 LYS 11 2HZ LYS 11 -9.295 -9.090 3.675
59 HA PRO 12 HA PRO 12 -5.103 -5.185 -2.467
60 HB2 PRO 12 1HB PRO 12 -6.416 -2.841 -2.854
61 HB3 PRO 12 2HB PRO 12 -7.151 -4.417 -3.171
62 HG2 PRO 12 1HG PRO 12 -7.449 -2.633 -0.785
63 HG3 PRO 12 2HG PRO 12 -8.690 -3.548 -1.661
64 HD2 PRO 12 1HD PRO 12 -7.621 -4.409 0.673
65 HD3 PRO 12 2HD PRO 12 -8.163 -5.524 -0.598
66 H TYR 13 H TYR 13 -4.869 -3.656 0.536
67 HA TYR 13 HA TYR 13 -2.782 -1.842 -0.486
68 HB2 TYR 13 1HB TYR 13 -4.492 -1.434 1.975
69 HB3 TYR 13 2HB TYR 13 -3.275 -0.324 1.353
70 HD1 TYR 13 HD1 TYR 13 -3.698 0.960 -0.699
71 HD2 TYR 13 HD2 TYR 13 -6.679 -1.568 0.983
72 HE1 TYR 13 HE1 TYR 13 -5.408 2.073 -2.072
73 HE2 TYR 13 HE2 TYR 13 -8.397 -0.462 -0.387
74 HH TYR 13 HH TYR 13 -8.298 0.877 -2.736
75 H LYS 14 H LYS 14 -0.879 -2.751 -0.062
76 HA LYS 14 HA LYS 14 -0.389 -3.725 2.668
77 HB2 LYS 14 1HB LYS 14 -0.624 -5.716 1.364
78 HB3 LYS 14 2HB LYS 14 0.387 -5.068 0.079
79 HG2 LYS 14 1HG LYS 14 2.194 -4.974 1.979
80 HG3 LYS 14 2HG LYS 14 1.164 -6.203 2.716
81 HD2 LYS 14 1HD LYS 14 1.330 -7.554 0.675
82 HD3 LYS 14 2HD LYS 14 2.374 -6.327 -0.047
83 HE2 LYS 14 1HE LYS 14 3.144 -7.449 2.596
84 HE3 LYS 14 2HE LYS 14 3.356 -8.465 1.171
85 HZ1 LYS 14 3HZ LYS 14 4.602 -6.557 0.174
86 HZ2 LYS 14 1HZ LYS 14 5.363 -7.290 1.495
87 HZ3 LYS 14 2HZ LYS 14 4.567 -5.811 1.692
88 H CYS 15 H CYS 15 1.196 -2.617 3.586
89 HA CYS 15 HA CYS 15 2.780 -0.733 2.238
90 HB2 CYS 15 1HB CYS 15 2.212 -0.775 4.708
91 HB3 CYS 15 2HB CYS 15 3.457 -2.007 4.891
92 H ASN 16 H ASN 16 4.929 -0.726 1.611
93 HA ASN 16 HA ASN 16 6.073 -3.386 1.143
94 HB2 ASN 16 1HB ASN 16 6.312 -0.745 -0.246
95 HB3 ASN 16 2HB ASN 16 7.617 -1.917 -0.403
96 HD21 ASN 16 1HD2 ASN 16 7.144 -3.966 -1.329
97 HD22 ASN 16 2HD2 ASN 16 5.813 -4.151 -2.415
98 H GLU 17 H GLU 17 6.771 -0.247 2.557
99 HA GLU 17 HA GLU 17 9.481 -0.474 3.051
100 HB2 GLU 17 1HB GLU 17 7.334 0.798 4.755
101 HB3 GLU 17 2HB GLU 17 9.058 1.016 5.020
102 HG2 GLU 17 1HG GLU 17 7.890 1.638 2.349
103 HG3 GLU 17 2HG GLU 17 7.699 2.779 3.678
104 H CYS 18 H CYS 18 6.818 -1.455 5.209
105 HA CYS 18 HA CYS 18 8.728 -3.040 6.770
106 HB2 CYS 18 1HB CYS 18 6.984 -3.141 8.482
107 HB3 CYS 18 2HB CYS 18 7.304 -1.472 8.021
108 H GLY 19 H GLY 19 5.767 -3.298 4.881
109 HA2 GLY 19 1HA GLY 19 5.292 -5.238 3.575
110 HA3 GLY 19 2HA GLY 19 6.215 -6.197 4.722
111 H LYS 20 H LYS 20 3.823 -3.825 5.681
112 HA LYS 20 HA LYS 20 2.271 -5.975 6.919
113 HB2 LYS 20 1HB LYS 20 2.619 -3.061 7.433
114 HB3 LYS 20 2HB LYS 20 1.084 -3.793 7.882
115 HG2 LYS 20 1HG LYS 20 2.070 -5.192 9.457
116 HG3 LYS 20 2HG LYS 20 3.680 -4.999 8.760
117 HD2 LYS 20 1HD LYS 20 3.805 -2.729 9.547
118 HD3 LYS 20 2HD LYS 20 2.129 -2.784 10.099
119 HE2 LYS 20 1HE LYS 20 2.659 -4.340 11.814
120 HE3 LYS 20 2HE LYS 20 4.268 -4.623 11.151
121 HZ1 LYS 20 3HZ LYS 20 4.089 -3.110 13.160
122 HZ2 LYS 20 1HZ LYS 20 3.432 -1.955 12.112
123 HZ3 LYS 20 2HZ LYS 20 4.999 -2.536 11.854
124 H VAL 21 H VAL 21 -0.201 -5.208 7.097
125 HA VAL 21 HA VAL 21 -1.122 -4.340 4.449
126 HB VAL 21 HB VAL 21 -2.321 -6.718 5.867
127 HG11 VAL 21 1HG1 VAL 21 -3.010 -6.939 3.269
128 HG12 VAL 21 2HG1 VAL 21 -3.997 -6.120 4.481
129 HG13 VAL 21 3HG1 VAL 21 -2.934 -5.185 3.428
130 HG21 VAL 21 3HG2 VAL 21 -1.087 -7.503 3.452
131 HG22 VAL 21 1HG2 VAL 21 0.104 -6.580 4.369
132 HG23 VAL 21 2HG2 VAL 21 -0.670 -7.988 5.095
133 H PHE 22 H PHE 22 -3.221 -3.445 4.405
134 HA PHE 22 HA PHE 22 -4.504 -2.986 7.000
135 HB2 PHE 22 1HB PHE 22 -3.953 -0.778 5.008
136 HB3 PHE 22 2HB PHE 22 -4.744 -0.609 6.571
137 HD1 PHE 22 HD1 PHE 22 -1.533 -1.397 4.923
138 HD2 PHE 22 HD2 PHE 22 -3.495 -0.321 8.543
139 HE1 PHE 22 HE1 PHE 22 0.649 -0.964 5.973
140 HE2 PHE 22 HE2 PHE 22 -1.316 0.115 9.599
141 HZ PHE 22 HZ PHE 22 0.760 -0.206 8.313
142 H ARG 23 H ARG 23 -6.660 -1.730 6.584
143 HA ARG 23 HA ARG 23 -8.105 -3.283 4.594
144 HB2 ARG 23 1HB ARG 23 -8.909 -1.590 6.938
145 HB3 ARG 23 2HB ARG 23 -10.094 -2.034 5.717
146 HG2 ARG 23 1HG ARG 23 -9.371 -4.442 6.130
147 HG3 ARG 23 2HG ARG 23 -8.566 -3.823 7.574
148 HD2 ARG 23 1HD ARG 23 -10.741 -2.851 8.291
149 HD3 ARG 23 2HD ARG 23 -11.501 -3.641 6.911
150 HE ARG 23 HE ARG 23 -10.275 -5.686 8.170
151 HH11 ARG 23 1HH1 ARG 23 -12.423 -3.174 9.262
152 HH12 ARG 23 2HH1 ARG 23 -13.122 -4.139 10.520
153 HH21 ARG 23 1HH2 ARG 23 -11.187 -6.967 9.822
154 HH22 ARG 23 2HH2 ARG 23 -12.418 -6.296 10.839
155 H HIS 24 H HIS 24 -7.972 0.150 5.563
156 HA HIS 24 HA HIS 24 -8.734 0.862 2.810
157 HB2 HIS 24 1HB HIS 24 -10.101 1.577 4.954
158 HB3 HIS 24 2HB HIS 24 -8.869 2.830 5.057
159 HD1 HIS 24 HD1 HIS 24 -8.934 4.701 3.307
160 HD2 HIS 24 HD2 HIS 24 -11.858 1.801 2.760
161 HE1 HIS 24 HE1 HIS 24 -10.521 5.659 1.608
162 H ASN 25 H ASN 25 -7.712 2.705 1.834
163 HA ASN 25 HA ASN 25 -4.903 2.715 2.161
164 HB2 ASN 25 1HB ASN 25 -4.835 4.068 0.291
165 HB3 ASN 25 2HB ASN 25 -6.415 3.317 0.089
166 HD21 ASN 25 1HD2 ASN 25 -4.698 6.216 0.470
167 HD22 ASN 25 2HD2 ASN 25 -6.051 7.289 0.533
168 H SER 26 H SER 26 -7.318 5.268 2.771
169 HA SER 26 HA SER 26 -5.899 7.318 3.706
170 HB2 SER 26 1HB SER 26 -8.416 7.068 3.780
171 HB3 SER 26 2HB SER 26 -8.214 6.229 5.318
172 HG SER 26 HG SER 26 -6.907 8.270 5.816
173 H TYR 27 H TYR 27 -6.673 4.477 5.706
174 HA TYR 27 HA TYR 27 -5.256 5.298 7.987
175 HB2 TYR 27 1HB TYR 27 -5.650 2.424 7.164
176 HB3 TYR 27 2HB TYR 27 -5.533 3.079 8.793
177 HD1 TYR 27 HD2 TYR 27 -7.401 5.259 8.855
178 HD2 TYR 27 HD1 TYR 27 -7.750 1.511 6.872
179 HE1 TYR 27 HE2 TYR 27 -9.851 5.437 8.962
180 HE2 TYR 27 HE1 TYR 27 -10.202 1.679 6.973
181 HH TYR 27 HH TYR 27 -11.867 3.203 8.809
182 H LEU 28 H LEU 28 -4.289 3.242 5.260
183 HA LEU 28 HA LEU 28 -1.767 2.496 6.124
184 HB2 LEU 28 1HB LEU 28 -2.649 1.494 4.173
185 HB3 LEU 28 2HB LEU 28 -2.844 3.053 3.374
186 HG LEU 28 HG LEU 28 -0.357 3.237 3.282
187 HD11 LEU 28 1HD1 LEU 28 0.337 1.813 5.043
188 HD12 LEU 28 2HD1 LEU 28 0.883 1.065 3.543
189 HD13 LEU 28 3HD1 LEU 28 -0.542 0.439 4.372
190 HD21 LEU 28 3HD2 LEU 28 -0.603 0.797 1.820
191 HD22 LEU 28 1HD2 LEU 28 -0.597 2.456 1.221
192 HD23 LEU 28 2HD2 LEU 28 -2.115 1.699 1.703
193 H SER 29 H SER 29 -2.728 5.417 4.353
194 HA SER 29 HA SER 29 -0.279 6.553 3.859
195 HB2 SER 29 1HB SER 29 -2.706 7.404 3.360
196 HB3 SER 29 2HB SER 29 -2.508 8.286 4.874
197 HG SER 29 HG SER 29 -0.832 8.443 2.587
198 H ARG 30 H ARG 30 -2.227 6.923 6.816
199 HA ARG 30 HA ARG 30 -0.468 8.569 8.219
200 HB2 ARG 30 1HB ARG 30 -2.535 6.574 9.108
201 HB3 ARG 30 2HB ARG 30 -1.575 7.475 10.274
202 HG2 ARG 30 1HG ARG 30 -2.446 9.556 9.485
203 HG3 ARG 30 2HG ARG 30 -3.261 8.757 8.139
204 HD2 ARG 30 1HD ARG 30 -4.416 7.391 10.053
205 HD3 ARG 30 2HD ARG 30 -3.949 8.774 11.042
206 HE ARG 30 HE ARG 30 -6.021 8.685 9.062
207 HH11 ARG 30 1HH1 ARG 30 -3.765 10.746 10.731
208 HH12 ARG 30 2HH1 ARG 30 -4.704 12.183 10.497
209 HH21 ARG 30 1HH2 ARG 30 -7.267 10.570 8.749
210 HH22 ARG 30 2HH2 ARG 30 -6.696 12.082 9.371
211 H HIS 31 H HIS 31 -0.665 5.031 8.095
212 HA HIS 31 HA HIS 31 1.350 4.501 9.981
213 HB2 HIS 31 1HB HIS 31 0.091 2.625 9.501
214 HB3 HIS 31 2HB HIS 31 0.066 2.954 7.771
215 HD1 HIS 31 HD1 HIS 31 2.320 1.552 10.453
216 HD2 HIS 31 HD2 HIS 31 2.029 1.698 6.311
217 HE1 HIS 31 HE1 HIS 31 4.078 -0.030 9.600
218 H GLN 32 H GLN 32 1.574 4.296 6.423
219 HA GLN 32 HA GLN 32 4.177 3.817 6.019
220 HB2 GLN 32 1HB GLN 32 2.350 5.737 4.611
221 HB3 GLN 32 2HB GLN 32 4.018 5.548 4.087
222 HG2 GLN 32 1HG GLN 32 2.303 3.134 4.419
223 HG3 GLN 32 2HG GLN 32 2.118 4.149 2.989
224 HE21 GLN 32 1HE2 GLN 32 2.852 2.518 1.630
225 HE22 GLN 32 2HE2 GLN 32 4.517 2.063 1.556
226 H ARG 33 H ARG 33 2.866 6.743 7.373
227 HA ARG 33 HA ARG 33 4.854 8.585 7.047
228 HB2 ARG 33 1HB ARG 33 3.354 8.046 9.617
229 HB3 ARG 33 2HB ARG 33 4.183 9.542 9.203
230 HG2 ARG 33 1HG ARG 33 2.077 8.536 7.363
231 HG3 ARG 33 2HG ARG 33 1.589 9.277 8.889
232 HD2 ARG 33 1HD ARG 33 2.367 11.343 8.294
233 HD3 ARG 33 2HD ARG 33 3.613 10.687 7.233
234 HE ARG 33 HE ARG 33 0.890 10.309 6.329
235 HH11 ARG 33 1HH1 ARG 33 3.743 12.302 6.241
236 HH12 ARG 33 2HH1 ARG 33 3.319 13.069 4.746
237 HH21 ARG 33 1HH2 ARG 33 0.321 11.311 4.361
238 HH22 ARG 33 2HH2 ARG 33 1.372 12.506 3.679
239 H ILE 34 H ILE 34 4.724 6.101 9.595
240 HA ILE 34 HA ILE 34 6.979 6.643 11.013
241 HB ILE 34 HB ILE 34 7.155 4.310 11.574
242 HG12 ILE 34 1HG1 ILE 34 5.161 3.597 9.441
243 HG13 ILE 34 2HG1 ILE 34 6.883 3.635 9.078
244 HG21 ILE 34 1HG2 ILE 34 4.413 3.953 11.556
245 HG22 ILE 34 2HG2 ILE 34 5.354 4.774 12.800
246 HG23 ILE 34 3HG2 ILE 34 4.614 5.704 11.498
247 HD11 ILE 34 3HD1 ILE 34 5.386 1.549 10.223
248 HD12 ILE 34 1HD1 ILE 34 7.122 1.610 9.923
249 HD13 ILE 34 2HD1 ILE 34 6.475 2.149 11.473
250 H HIS 35 H HIS 35 6.796 5.442 7.757
251 HA HIS 35 HA HIS 35 9.635 4.806 7.671
252 HB2 HIS 35 1HB HIS 35 7.546 4.709 5.484
253 HB3 HIS 35 2HB HIS 35 9.192 4.095 5.361
254 HD1 HIS 35 HD1 HIS 35 9.655 2.275 7.528
255 HD2 HIS 35 HD2 HIS 35 5.832 2.689 5.954
256 HE1 HIS 35 HE1 HIS 35 8.429 0.178 8.179
257 H THR 36 H THR 36 7.430 6.895 5.797
258 HA THR 36 HA THR 36 9.187 8.308 4.291
259 HB THR 36 HB THR 36 7.650 10.208 4.342
260 HG1 THR 36 HG1 THR 36 5.896 10.177 5.817
261 HG21 THR 36 3HG2 THR 36 5.597 8.166 4.457
262 HG22 THR 36 1HG2 THR 36 7.022 7.606 3.584
263 HG23 THR 36 2HG2 THR 36 6.198 9.079 3.073
264 H GLY 37 H GLY 37 8.339 9.028 7.671
265 HA2 GLY 37 1HA GLY 37 9.617 11.336 8.197
266 HA3 GLY 37 2HA GLY 37 9.674 9.979 9.312
267 H GLU 38 H GLU 38 11.331 8.212 8.409
268 HA GLU 38 HA GLU 38 13.883 9.378 8.686
269 HB2 GLU 38 1HB GLU 38 13.349 7.061 9.360
270 HB3 GLU 38 2HB GLU 38 13.172 6.622 7.667
271 HG2 GLU 38 1HG GLU 38 15.727 7.822 8.632
272 HG3 GLU 38 2HG GLU 38 15.386 6.116 8.918
273 H LYS 39 H LYS 39 14.217 10.915 7.092
274 HA LYS 39 HA LYS 39 15.133 9.866 4.559
275 HB2 LYS 39 1HB LYS 39 13.731 11.156 3.141
276 HB3 LYS 39 2HB LYS 39 12.664 10.329 4.269
277 HG2 LYS 39 1HG LYS 39 12.275 12.303 5.502
278 HG3 LYS 39 2HG LYS 39 13.598 13.152 4.698
279 HD2 LYS 39 1HD LYS 39 11.192 12.118 3.214
280 HD3 LYS 39 2HD LYS 39 11.247 13.730 3.933
281 HE2 LYS 39 1HE LYS 39 13.177 14.295 2.576
282 HE3 LYS 39 2HE LYS 39 13.214 12.665 1.908
283 HZ1 LYS 39 3HZ LYS 39 11.044 13.063 0.919
284 HZ2 LYS 39 1HZ LYS 39 12.164 14.215 0.388
285 HZ3 LYS 39 2HZ LYS 39 11.014 14.629 1.557
286 HA PRO 40 HA PRO 40 18.067 13.106 4.979
287 HB2 PRO 40 1HB PRO 40 18.720 13.543 2.380
288 HB3 PRO 40 2HB PRO 40 19.231 12.104 3.270
289 HG2 PRO 40 1HG PRO 40 16.958 12.436 1.351
290 HG3 PRO 40 2HG PRO 40 18.122 11.105 1.487
291 HD2 PRO 40 1HD PRO 40 15.614 10.956 2.497
292 HD3 PRO 40 2HD PRO 40 16.996 10.134 3.249
293 H SER 41 H SER 41 18.659 15.282 3.738
294 HA SER 41 HA SER 41 16.429 16.747 2.688
295 HB2 SER 41 1HB SER 41 17.352 17.230 5.519
296 HB3 SER 41 2HB SER 41 16.545 18.481 4.574
297 HG SER 41 HG SER 41 14.742 17.169 4.423
298 H GLY 42 H GLY 42 17.011 18.847 1.937
299 HA2 GLY 42 1HA GLY 42 19.267 20.300 2.289
300 HA3 GLY 42 2HA GLY 42 19.803 19.020 1.211
301 HA PRO 43 HA PRO 43 18.507 21.507 -2.169
302 HB2 PRO 43 1HB PRO 43 18.243 19.577 -4.060
303 HB3 PRO 43 2HB PRO 43 19.813 20.146 -3.481
304 HG2 PRO 43 1HG PRO 43 18.279 17.698 -2.696
305 HG3 PRO 43 2HG PRO 43 20.012 17.874 -3.026
306 HD2 PRO 43 1HD PRO 43 19.008 17.792 -0.512
307 HD3 PRO 43 2HD PRO 43 20.450 18.738 -0.934
308 H SER 44 H SER 44 16.446 22.078 -1.214
309 HA SER 44 HA SER 44 14.231 21.046 -2.758
310 HB2 SER 44 1HB SER 44 14.473 20.597 0.201
311 HB3 SER 44 2HB SER 44 12.883 20.815 -0.530
312 HG SER 44 HG SER 44 13.004 18.829 -1.169
313 H SER 45 H SER 45 12.664 22.549 -3.075
314 HA SER 45 HA SER 45 12.418 24.851 -1.344
315 HB2 SER 45 1HB SER 45 12.842 26.497 -3.138
316 HB3 SER 45 2HB SER 45 14.281 25.549 -2.769
317 HG SER 45 HG SER 45 12.580 24.628 -4.783
318 H GLY 46 H GLY 46 10.622 26.270 -1.999
319 HA2 GLY 46 1HA GLY 46 8.780 25.167 -3.974
320 HA3 GLY 46 2HA GLY 46 8.232 25.152 -2.304
Start of MODEL 17
1 H1 GLY 1 H GLY 1 25.960 -13.642 7.337
2 HA2 GLY 1 1HA GLY 1 24.372 -12.308 6.187
3 HA3 GLY 1 2HA GLY 1 23.981 -13.691 5.175
4 H SER 2 H SER 2 21.755 -13.372 5.549
5 HA SER 2 HA SER 2 20.697 -14.860 7.703
6 HB2 SER 2 1HB SER 2 21.196 -12.916 9.057
7 HB3 SER 2 2HB SER 2 20.405 -11.854 7.892
8 HG SER 2 HG SER 2 18.801 -12.173 9.260
9 H SER 3 H SER 3 18.476 -15.253 7.484
10 HA SER 3 HA SER 3 17.370 -14.374 4.906
11 HB2 SER 3 1HB SER 3 15.855 -16.376 5.177
12 HB3 SER 3 2HB SER 3 17.567 -16.762 5.007
13 HG SER 3 HG SER 3 15.910 -16.939 7.259
14 H GLY 4 H GLY 4 14.938 -14.220 4.847
15 HA2 GLY 4 1HA GLY 4 13.901 -13.102 7.376
16 HA3 GLY 4 2HA GLY 4 13.690 -12.259 5.849
17 H SER 5 H SER 5 11.398 -12.475 6.755
18 HA SER 5 HA SER 5 10.134 -14.680 5.348
19 HB2 SER 5 1HB SER 5 9.586 -14.169 8.282
20 HB3 SER 5 2HB SER 5 8.743 -15.334 7.260
21 HG SER 5 HG SER 5 11.133 -15.559 8.533
22 H SER 6 H SER 6 8.627 -13.790 4.121
23 HA SER 6 HA SER 6 6.891 -11.721 5.239
24 HB2 SER 6 1HB SER 6 8.545 -11.425 2.732
25 HB3 SER 6 2HB SER 6 7.108 -10.450 3.036
26 HG SER 6 HG SER 6 8.129 -9.763 4.996
27 H GLY 7 H GLY 7 4.966 -11.325 3.865
28 HA2 GLY 7 1HA GLY 7 4.340 -13.371 1.900
29 HA3 GLY 7 2HA GLY 7 3.413 -13.452 3.391
30 H THR 8 H THR 8 1.451 -12.999 2.414
31 HA THR 8 HA THR 8 1.070 -10.180 1.728
32 HB THR 8 HB THR 8 -0.347 -10.730 -0.198
33 HG1 THR 8 HG1 THR 8 0.177 -13.318 0.679
34 HG21 THR 8 3HG2 THR 8 2.163 -10.344 -0.394
35 HG22 THR 8 1HG2 THR 8 1.382 -11.152 -1.751
36 HG23 THR 8 2HG2 THR 8 2.310 -12.091 -0.582
37 H GLY 9 H GLY 9 -0.944 -9.357 2.246
38 HA2 GLY 9 1HA GLY 9 -2.521 -11.044 4.040
39 HA3 GLY 9 2HA GLY 9 -2.622 -9.294 3.904
40 H GLU 10 H GLU 10 -4.969 -9.849 3.941
41 HA GLU 10 HA GLU 10 -5.939 -10.704 1.299
42 HB2 GLU 10 1HB GLU 10 -7.144 -10.776 4.044
43 HB3 GLU 10 2HB GLU 10 -8.183 -10.792 2.626
44 HG2 GLU 10 1HG GLU 10 -6.622 -12.749 1.874
45 HG3 GLU 10 2HG GLU 10 -6.271 -12.854 3.599
46 H LYS 11 H LYS 11 -4.895 -8.126 1.545
47 HA LYS 11 HA LYS 11 -7.295 -6.553 0.976
48 HB2 LYS 11 1HB LYS 11 -5.061 -5.602 2.780
49 HB3 LYS 11 2HB LYS 11 -6.423 -4.630 2.238
50 HG2 LYS 11 1HG LYS 11 -7.158 -5.238 4.306
51 HG3 LYS 11 2HG LYS 11 -7.822 -6.560 3.343
52 HD2 LYS 11 1HD LYS 11 -5.541 -7.714 3.885
53 HD3 LYS 11 2HD LYS 11 -5.493 -6.555 5.216
54 HE2 LYS 11 1HE LYS 11 -7.688 -7.361 5.972
55 HE3 LYS 11 2HE LYS 11 -7.699 -8.537 4.659
56 HZ1 LYS 11 3HZ LYS 11 -6.711 -8.948 7.160
57 HZ2 LYS 11 1HZ LYS 11 -5.317 -8.674 6.242
58 HZ3 LYS 11 2HZ LYS 11 -6.391 -9.905 5.803
59 HA PRO 12 HA PRO 12 -4.944 -5.274 -2.517
60 HB2 PRO 12 1HB PRO 12 -6.262 -2.979 -3.118
61 HB3 PRO 12 2HB PRO 12 -6.940 -4.583 -3.422
62 HG2 PRO 12 1HG PRO 12 -7.466 -2.703 -1.152
63 HG3 PRO 12 2HG PRO 12 -8.615 -3.682 -2.083
64 HD2 PRO 12 1HD PRO 12 -7.726 -4.416 0.367
65 HD3 PRO 12 2HD PRO 12 -8.141 -5.597 -0.891
66 H TYR 13 H TYR 13 -5.025 -3.568 0.411
67 HA TYR 13 HA TYR 13 -2.964 -1.686 -0.531
68 HB2 TYR 13 1HB TYR 13 -4.773 -1.471 1.884
69 HB3 TYR 13 2HB TYR 13 -3.549 -0.296 1.418
70 HD1 TYR 13 HD1 TYR 13 -3.898 1.179 -0.486
71 HD2 TYR 13 HD2 TYR 13 -6.863 -1.647 0.664
72 HE1 TYR 13 HE1 TYR 13 -5.546 2.345 -1.890
73 HE2 TYR 13 HE2 TYR 13 -8.519 -0.489 -0.738
74 HH TYR 13 HH TYR 13 -7.767 2.551 -2.339
75 H LYS 14 H LYS 14 -1.049 -2.639 -0.182
76 HA LYS 14 HA LYS 14 -0.493 -3.601 2.544
77 HB2 LYS 14 1HB LYS 14 -0.604 -5.583 1.247
78 HB3 LYS 14 2HB LYS 14 0.281 -4.852 -0.086
79 HG2 LYS 14 1HG LYS 14 2.321 -4.898 1.139
80 HG3 LYS 14 2HG LYS 14 1.485 -5.368 2.622
81 HD2 LYS 14 1HD LYS 14 0.731 -7.439 1.315
82 HD3 LYS 14 2HD LYS 14 1.976 -6.996 0.145
83 HE2 LYS 14 1HE LYS 14 2.690 -7.155 3.036
84 HE3 LYS 14 2HE LYS 14 2.501 -8.649 2.119
85 HZ1 LYS 14 3HZ LYS 14 4.322 -8.214 0.856
86 HZ2 LYS 14 1HZ LYS 14 4.794 -7.403 2.263
87 HZ3 LYS 14 2HZ LYS 14 4.156 -6.534 0.960
88 H CYS 15 H CYS 15 1.331 -2.851 3.471
89 HA CYS 15 HA CYS 15 2.708 -0.680 2.245
90 HB2 CYS 15 1HB CYS 15 2.257 -0.991 4.729
91 HB3 CYS 15 2HB CYS 15 3.573 -2.161 4.728
92 H ASN 16 H ASN 16 4.853 -0.540 1.576
93 HA ASN 16 HA ASN 16 6.071 -3.120 0.862
94 HB2 ASN 16 1HB ASN 16 6.266 -0.388 -0.408
95 HB3 ASN 16 2HB ASN 16 7.346 -1.713 -0.832
96 HD21 ASN 16 1HD2 ASN 16 4.202 -0.378 -1.152
97 HD22 ASN 16 2HD2 ASN 16 3.579 -1.544 -2.264
98 H GLU 17 H GLU 17 6.550 -0.150 2.580
99 HA GLU 17 HA GLU 17 9.376 -0.277 2.813
100 HB2 GLU 17 1HB GLU 17 7.318 1.083 4.560
101 HB3 GLU 17 2HB GLU 17 9.054 1.323 4.692
102 HG2 GLU 17 1HG GLU 17 9.135 2.263 2.472
103 HG3 GLU 17 2HG GLU 17 7.420 1.929 2.239
104 H CYS 18 H CYS 18 6.719 -1.644 4.644
105 HA CYS 18 HA CYS 18 8.682 -3.103 6.285
106 HB2 CYS 18 1HB CYS 18 7.198 -2.983 8.192
107 HB3 CYS 18 2HB CYS 18 7.506 -1.352 7.605
108 H GLY 19 H GLY 19 5.410 -3.090 4.920
109 HA2 GLY 19 1HA GLY 19 4.909 -5.152 3.592
110 HA3 GLY 19 2HA GLY 19 5.473 -6.044 4.997
111 H LYS 20 H LYS 20 4.212 -4.248 6.910
112 HA LYS 20 HA LYS 20 1.943 -5.489 7.584
113 HB2 LYS 20 1HB LYS 20 2.787 -2.647 7.856
114 HB3 LYS 20 2HB LYS 20 1.125 -3.045 8.269
115 HG2 LYS 20 1HG LYS 20 1.855 -4.620 9.927
116 HG3 LYS 20 2HG LYS 20 3.539 -4.411 9.440
117 HD2 LYS 20 1HD LYS 20 3.671 -2.282 10.360
118 HD3 LYS 20 2HD LYS 20 1.920 -2.060 10.347
119 HE2 LYS 20 1HE LYS 20 1.618 -3.430 12.217
120 HE3 LYS 20 2HE LYS 20 3.210 -4.167 12.048
121 HZ1 LYS 20 3HZ LYS 20 4.110 -1.869 12.539
122 HZ2 LYS 20 1HZ LYS 20 3.392 -2.689 13.833
123 HZ3 LYS 20 2HZ LYS 20 2.546 -1.459 13.036
124 H VAL 21 H VAL 21 -0.104 -5.726 6.897
125 HA VAL 21 HA VAL 21 -0.868 -4.324 4.432
126 HB VAL 21 HB VAL 21 -2.152 -6.776 5.639
127 HG11 VAL 21 1HG1 VAL 21 -2.620 -6.776 2.934
128 HG12 VAL 21 2HG1 VAL 21 -3.759 -6.249 4.175
129 HG13 VAL 21 3HG1 VAL 21 -2.742 -5.067 3.351
130 HG21 VAL 21 3HG2 VAL 21 0.155 -7.269 5.056
131 HG22 VAL 21 1HG2 VAL 21 -0.942 -8.044 3.913
132 HG23 VAL 21 2HG2 VAL 21 -0.082 -6.575 3.452
133 H PHE 22 H PHE 22 -2.912 -3.371 4.208
134 HA PHE 22 HA PHE 22 -4.476 -3.022 6.665
135 HB2 PHE 22 1HB PHE 22 -3.777 -0.734 4.820
136 HB3 PHE 22 2HB PHE 22 -4.644 -0.642 6.349
137 HD1 PHE 22 HD1 PHE 22 -1.355 -1.582 4.899
138 HD2 PHE 22 HD2 PHE 22 -3.494 -0.218 8.316
139 HE1 PHE 22 HE1 PHE 22 0.773 -1.202 6.074
140 HE2 PHE 22 HE2 PHE 22 -1.370 0.165 9.497
141 HZ PHE 22 HZ PHE 22 0.767 -0.326 8.376
142 H ARG 23 H ARG 23 -6.625 -1.942 6.171
143 HA ARG 23 HA ARG 23 -7.743 -3.227 3.795
144 HB2 ARG 23 1HB ARG 23 -8.656 -3.377 6.261
145 HB3 ARG 23 2HB ARG 23 -9.417 -1.845 5.852
146 HG2 ARG 23 1HG ARG 23 -10.658 -2.838 4.087
147 HG3 ARG 23 2HG ARG 23 -9.740 -4.340 4.206
148 HD2 ARG 23 1HD ARG 23 -11.306 -3.303 6.540
149 HD3 ARG 23 2HD ARG 23 -12.095 -4.226 5.262
150 HE ARG 23 HE ARG 23 -9.940 -5.744 5.986
151 HH11 ARG 23 1HH1 ARG 23 -12.676 -4.377 7.650
152 HH12 ARG 23 2HH1 ARG 23 -12.749 -5.638 8.836
153 HH21 ARG 23 1HH2 ARG 23 -10.027 -7.409 7.542
154 HH22 ARG 23 2HH2 ARG 23 -11.242 -7.362 8.774
155 H HIS 24 H HIS 24 -7.860 -0.081 5.459
156 HA HIS 24 HA HIS 24 -8.784 1.145 2.954
157 HB2 HIS 24 1HB HIS 24 -9.931 1.423 5.326
158 HB3 HIS 24 2HB HIS 24 -8.696 2.662 5.524
159 HD1 HIS 24 HD1 HIS 24 -9.220 4.898 4.572
160 HD2 HIS 24 HD2 HIS 24 -11.626 1.912 2.974
161 HE1 HIS 24 HE1 HIS 24 -10.904 6.090 3.133
162 H ASN 25 H ASN 25 -7.516 2.497 1.839
163 HA ASN 25 HA ASN 25 -4.796 2.664 2.171
164 HB2 ASN 25 1HB ASN 25 -6.048 3.314 0.115
165 HB3 ASN 25 2HB ASN 25 -6.528 4.805 0.919
166 HD21 ASN 25 1HD2 ASN 25 -4.784 4.087 -1.463
167 HD22 ASN 25 2HD2 ASN 25 -3.340 5.000 -1.205
168 H SER 26 H SER 26 -7.253 4.952 3.315
169 HA SER 26 HA SER 26 -5.765 7.005 4.279
170 HB2 SER 26 1HB SER 26 -8.278 6.710 4.450
171 HB3 SER 26 2HB SER 26 -7.986 5.754 5.903
172 HG SER 26 HG SER 26 -6.983 7.577 6.822
173 H TYR 27 H TYR 27 -6.290 3.892 5.891
174 HA TYR 27 HA TYR 27 -4.759 4.554 8.200
175 HB2 TYR 27 1HB TYR 27 -5.388 1.784 7.173
176 HB3 TYR 27 2HB TYR 27 -5.011 2.251 8.828
177 HD1 TYR 27 HD2 TYR 27 -6.708 4.544 9.312
178 HD2 TYR 27 HD1 TYR 27 -7.560 0.985 7.142
179 HE1 TYR 27 HE2 TYR 27 -9.105 4.841 9.777
180 HE2 TYR 27 HE1 TYR 27 -9.959 1.273 7.600
181 HH TYR 27 HH TYR 27 -11.531 2.826 8.276
182 H LEU 28 H LEU 28 -4.030 3.155 5.085
183 HA LEU 28 HA LEU 28 -1.463 2.134 5.763
184 HB2 LEU 28 1HB LEU 28 -2.530 1.231 3.856
185 HB3 LEU 28 2HB LEU 28 -2.787 2.827 3.156
186 HG LEU 28 HG LEU 28 -0.313 3.008 2.850
187 HD11 LEU 28 1HD1 LEU 28 1.102 1.488 3.638
188 HD12 LEU 28 2HD1 LEU 28 0.165 0.159 2.956
189 HD13 LEU 28 3HD1 LEU 28 -0.253 0.809 4.541
190 HD21 LEU 28 3HD2 LEU 28 -2.178 1.290 1.430
191 HD22 LEU 28 1HD2 LEU 28 -0.497 0.817 1.184
192 HD23 LEU 28 2HD2 LEU 28 -1.014 2.460 0.806
193 H SER 29 H SER 29 -2.477 5.052 3.983
194 HA SER 29 HA SER 29 0.037 6.161 3.592
195 HB2 SER 29 1HB SER 29 -1.983 7.030 2.506
196 HB3 SER 29 2HB SER 29 -2.585 7.605 4.061
197 HG SER 29 HG SER 29 -0.301 8.694 3.962
198 H ARG 30 H ARG 30 -2.243 6.778 6.259
199 HA ARG 30 HA ARG 30 -0.590 8.531 7.695
200 HB2 ARG 30 1HB ARG 30 -2.164 8.415 9.391
201 HB3 ARG 30 2HB ARG 30 -3.113 7.944 7.987
202 HG2 ARG 30 1HG ARG 30 -2.795 5.581 8.591
203 HG3 ARG 30 2HG ARG 30 -1.904 6.089 10.027
204 HD2 ARG 30 1HD ARG 30 -4.730 6.943 9.434
205 HD3 ARG 30 2HD ARG 30 -4.328 5.521 10.396
206 HE ARG 30 HE ARG 30 -2.953 7.655 11.505
207 HH11 ARG 30 1HH1 ARG 30 -6.262 6.719 10.964
208 HH12 ARG 30 2HH1 ARG 30 -6.866 7.571 12.346
209 HH21 ARG 30 1HH2 ARG 30 -3.736 8.781 13.329
210 HH22 ARG 30 2HH2 ARG 30 -5.428 8.744 13.690
211 H HIS 31 H HIS 31 -0.469 5.127 7.301
212 HA HIS 31 HA HIS 31 1.060 4.638 9.709
213 HB2 HIS 31 1HB HIS 31 -0.167 2.753 9.218
214 HB3 HIS 31 2HB HIS 31 -0.005 2.970 7.478
215 HD1 HIS 31 HD1 HIS 31 2.116 1.906 10.443
216 HD2 HIS 31 HD2 HIS 31 1.868 1.371 6.331
217 HE1 HIS 31 HE1 HIS 31 3.859 0.182 9.883
218 H GLN 32 H GLN 32 1.720 4.226 6.225
219 HA GLN 32 HA GLN 32 4.342 3.638 6.197
220 HB2 GLN 32 1HB GLN 32 2.967 5.675 4.439
221 HB3 GLN 32 2HB GLN 32 4.545 4.975 4.100
222 HG2 GLN 32 1HG GLN 32 3.227 2.714 4.333
223 HG3 GLN 32 2HG GLN 32 1.847 3.741 3.947
224 HE21 GLN 32 1HE2 GLN 32 4.015 1.732 2.631
225 HE22 GLN 32 2HE2 GLN 32 4.098 2.367 1.027
226 H ARG 33 H ARG 33 2.963 6.646 7.235
227 HA ARG 33 HA ARG 33 5.017 8.440 7.025
228 HB2 ARG 33 1HB ARG 33 3.203 8.068 9.417
229 HB3 ARG 33 2HB ARG 33 4.131 9.517 9.055
230 HG2 ARG 33 1HG ARG 33 2.797 9.353 6.773
231 HG3 ARG 33 2HG ARG 33 1.655 8.484 7.800
232 HD2 ARG 33 1HD ARG 33 1.627 10.387 9.353
233 HD3 ARG 33 2HD ARG 33 2.742 11.254 8.297
234 HE ARG 33 HE ARG 33 0.280 10.386 7.050
235 HH11 ARG 33 1HH1 ARG 33 1.961 12.937 8.719
236 HH12 ARG 33 2HH1 ARG 33 0.920 14.188 8.126
237 HH21 ARG 33 1HH2 ARG 33 -1.098 12.024 6.262
238 HH22 ARG 33 2HH2 ARG 33 -0.820 13.668 6.729
239 H ILE 34 H ILE 34 4.516 6.186 9.743
240 HA ILE 34 HA ILE 34 6.618 6.752 11.349
241 HB ILE 34 HB ILE 34 6.665 4.461 12.078
242 HG12 ILE 34 1HG1 ILE 34 4.914 3.640 9.778
243 HG13 ILE 34 2HG1 ILE 34 6.667 3.622 9.618
244 HG21 ILE 34 1HG2 ILE 34 3.940 4.145 11.774
245 HG22 ILE 34 2HG2 ILE 34 4.748 5.054 13.050
246 HG23 ILE 34 3HG2 ILE 34 4.179 5.884 11.602
247 HD11 ILE 34 3HD1 ILE 34 6.817 1.704 10.712
248 HD12 ILE 34 1HD1 ILE 34 5.828 2.308 12.042
249 HD13 ILE 34 2HD1 ILE 34 5.059 1.602 10.620
250 H HIS 35 H HIS 35 6.788 5.472 8.148
251 HA HIS 35 HA HIS 35 9.551 4.623 8.410
252 HB2 HIS 35 1HB HIS 35 7.785 4.779 5.959
253 HB3 HIS 35 2HB HIS 35 9.367 4.010 6.041
254 HD1 HIS 35 HD1 HIS 35 9.130 2.326 8.535
255 HD2 HIS 35 HD2 HIS 35 6.063 2.701 5.757
256 HE1 HIS 35 HE1 HIS 35 7.691 0.287 8.843
257 H THR 36 H THR 36 7.859 6.890 6.233
258 HA THR 36 HA THR 36 10.127 8.196 5.288
259 HB THR 36 HB THR 36 8.594 10.100 4.746
260 HG1 THR 36 HG1 THR 36 7.174 9.147 6.709
261 HG21 THR 36 3HG2 THR 36 8.578 7.455 3.755
262 HG22 THR 36 1HG2 THR 36 8.127 8.933 2.906
263 HG23 THR 36 2HG2 THR 36 6.903 8.006 3.774
264 H GLY 37 H GLY 37 11.627 8.848 6.762
265 HA2 GLY 37 1HA GLY 37 11.495 11.314 7.959
266 HA3 GLY 37 2HA GLY 37 10.931 10.196 9.192
267 H GLU 38 H GLU 38 13.548 10.189 6.764
268 HA GLU 38 HA GLU 38 15.607 10.270 8.721
269 HB2 GLU 38 1HB GLU 38 16.493 8.004 8.419
270 HB3 GLU 38 2HB GLU 38 14.883 7.972 9.126
271 HG2 GLU 38 1HG GLU 38 14.087 7.658 6.683
272 HG3 GLU 38 2HG GLU 38 15.757 7.183 6.383
273 H LYS 39 H LYS 39 17.788 9.715 7.674
274 HA LYS 39 HA LYS 39 18.143 11.308 5.411
275 HB2 LYS 39 1HB LYS 39 19.860 9.271 6.792
276 HB3 LYS 39 2HB LYS 39 20.402 10.012 5.292
277 HG2 LYS 39 1HG LYS 39 19.531 11.655 7.646
278 HG3 LYS 39 2HG LYS 39 21.184 11.059 7.474
279 HD2 LYS 39 1HD LYS 39 21.367 12.200 5.314
280 HD3 LYS 39 2HD LYS 39 19.714 12.795 5.489
281 HE2 LYS 39 1HE LYS 39 20.936 14.603 6.227
282 HE3 LYS 39 2HE LYS 39 20.601 13.764 7.741
283 HZ1 LYS 39 3HZ LYS 39 22.991 14.555 7.217
284 HZ2 LYS 39 1HZ LYS 39 23.070 13.163 6.259
285 HZ3 LYS 39 2HZ LYS 39 22.758 13.033 7.916
286 HA PRO 40 HA PRO 40 17.023 8.708 2.040
287 HB2 PRO 40 1HB PRO 40 18.495 9.879 0.082
288 HB3 PRO 40 2HB PRO 40 17.038 10.615 0.759
289 HG2 PRO 40 1HG PRO 40 19.910 11.174 1.389
290 HG3 PRO 40 2HG PRO 40 18.574 12.316 1.156
291 HD2 PRO 40 1HD PRO 40 19.467 11.600 3.610
292 HD3 PRO 40 2HD PRO 40 17.767 12.002 3.293
293 H SER 41 H SER 41 17.707 6.694 1.721
294 HA SER 41 HA SER 41 20.576 6.121 1.776
295 HB2 SER 41 1HB SER 41 18.194 4.256 1.895
296 HB3 SER 41 2HB SER 41 19.881 3.757 2.016
297 HG SER 41 HG SER 41 18.704 4.096 4.054
298 H GLY 42 H GLY 42 19.539 7.416 -0.525
299 HA2 GLY 42 1HA GLY 42 20.700 5.954 -2.576
300 HA3 GLY 42 2HA GLY 42 18.984 5.573 -2.616
301 HA PRO 43 HA PRO 43 20.074 9.680 -4.794
302 HB2 PRO 43 1HB PRO 43 20.031 8.816 -7.367
303 HB3 PRO 43 2HB PRO 43 21.504 8.853 -6.391
304 HG2 PRO 43 1HG PRO 43 19.696 6.547 -7.004
305 HG3 PRO 43 2HG PRO 43 21.469 6.605 -6.986
306 HD2 PRO 43 1HD PRO 43 20.023 5.584 -4.937
307 HD3 PRO 43 2HD PRO 43 21.576 6.408 -4.692
308 H SER 44 H SER 44 17.714 7.271 -4.745
309 HA SER 44 HA SER 44 15.843 8.150 -6.622
310 HB2 SER 44 1HB SER 44 14.175 6.960 -5.265
311 HB3 SER 44 2HB SER 44 15.649 6.006 -5.429
312 HG SER 44 HG SER 44 14.962 7.625 -3.198
313 H SER 45 H SER 45 16.061 10.474 -6.490
314 HA SER 45 HA SER 45 14.292 11.607 -4.434
315 HB2 SER 45 1HB SER 45 16.947 12.733 -5.348
316 HB3 SER 45 2HB SER 45 15.766 13.646 -4.409
317 HG SER 45 HG SER 45 17.160 11.301 -3.644
318 H GLY 46 H GLY 46 12.591 11.667 -5.919
319 HA2 GLY 46 1HA GLY 46 11.261 12.646 -7.513
320 HA3 GLY 46 2HA GLY 46 12.361 14.015 -7.448
Start of MODEL 18
1 H1 GLY 1 H GLY 1 14.773 -13.661 12.381
2 HA2 GLY 1 1HA GLY 1 12.655 -15.018 10.844
3 HA3 GLY 1 2HA GLY 1 13.949 -15.831 11.712
4 H SER 2 H SER 2 12.065 -17.075 12.542
5 HA SER 2 HA SER 2 10.662 -17.648 14.238
6 HB2 SER 2 1HB SER 2 12.170 -15.398 15.577
7 HB3 SER 2 2HB SER 2 10.983 -16.392 16.421
8 HG SER 2 HG SER 2 12.265 -18.159 16.152
9 H SER 3 H SER 3 9.540 -16.095 12.256
10 HA SER 3 HA SER 3 7.435 -14.735 13.760
11 HB2 SER 3 1HB SER 3 8.849 -13.483 11.393
12 HB3 SER 3 2HB SER 3 7.439 -12.817 12.217
13 HG SER 3 HG SER 3 9.809 -13.407 13.627
14 H GLY 4 H GLY 4 5.421 -14.657 12.696
15 HA2 GLY 4 1HA GLY 4 4.835 -15.319 10.088
16 HA3 GLY 4 2HA GLY 4 4.951 -16.855 10.933
17 H SER 5 H SER 5 3.190 -13.837 10.687
18 HA SER 5 HA SER 5 1.076 -14.944 12.404
19 HB2 SER 5 1HB SER 5 2.193 -12.557 12.696
20 HB3 SER 5 2HB SER 5 1.020 -12.110 11.457
21 HG SER 5 HG SER 5 -0.422 -13.429 13.062
22 H SER 6 H SER 6 1.582 -13.269 9.313
23 HA SER 6 HA SER 6 -1.136 -13.725 8.470
24 HB2 SER 6 1HB SER 6 0.435 -11.759 7.815
25 HB3 SER 6 2HB SER 6 1.089 -12.888 6.628
26 HG SER 6 HG SER 6 -0.590 -11.699 5.709
27 H GLY 7 H GLY 7 -1.407 -14.663 6.153
28 HA2 GLY 7 1HA GLY 7 0.380 -16.735 5.341
29 HA3 GLY 7 2HA GLY 7 -0.992 -17.390 6.222
30 H THR 8 H THR 8 -3.170 -16.697 5.413
31 HA THR 8 HA THR 8 -3.131 -16.676 2.471
32 HB THR 8 HB THR 8 -4.187 -18.664 3.382
33 HG1 THR 8 HG1 THR 8 -6.406 -17.153 2.568
34 HG21 THR 8 3HG2 THR 8 -4.870 -17.943 5.553
35 HG22 THR 8 1HG2 THR 8 -6.327 -18.411 4.678
36 HG23 THR 8 2HG2 THR 8 -5.926 -16.705 4.876
37 H GLY 9 H GLY 9 -4.786 -15.472 1.352
38 HA2 GLY 9 1HA GLY 9 -6.135 -13.644 0.980
39 HA3 GLY 9 2HA GLY 9 -6.464 -13.611 2.706
40 H GLU 10 H GLU 10 -6.044 -11.353 0.967
41 HA GLU 10 HA GLU 10 -4.262 -9.864 2.584
42 HB2 GLU 10 1HB GLU 10 -2.787 -11.275 0.912
43 HB3 GLU 10 2HB GLU 10 -3.247 -10.013 -0.222
44 HG2 GLU 10 1HG GLU 10 -2.453 -8.430 1.714
45 HG3 GLU 10 2HG GLU 10 -1.537 -9.855 2.203
46 H LYS 11 H LYS 11 -4.881 -7.797 2.534
47 HA LYS 11 HA LYS 11 -7.018 -6.971 0.858
48 HB2 LYS 11 1HB LYS 11 -5.352 -5.719 2.980
49 HB3 LYS 11 2HB LYS 11 -6.213 -4.640 1.891
50 HG2 LYS 11 1HG LYS 11 -7.751 -4.875 3.561
51 HG3 LYS 11 2HG LYS 11 -8.253 -6.174 2.476
52 HD2 LYS 11 1HD LYS 11 -6.242 -6.782 4.587
53 HD3 LYS 11 2HD LYS 11 -7.930 -6.588 5.064
54 HE2 LYS 11 1HE LYS 11 -8.619 -8.431 3.865
55 HE3 LYS 11 2HE LYS 11 -7.260 -8.341 2.745
56 HZ1 LYS 11 3HZ LYS 11 -7.499 -9.881 5.082
57 HZ2 LYS 11 1HZ LYS 11 -6.222 -8.791 5.290
58 HZ3 LYS 11 2HZ LYS 11 -6.226 -9.846 3.968
59 HA PRO 12 HA PRO 12 -5.026 -5.170 -2.612
60 HB2 PRO 12 1HB PRO 12 -6.464 -2.902 -3.013
61 HB3 PRO 12 2HB PRO 12 -7.101 -4.516 -3.351
62 HG2 PRO 12 1HG PRO 12 -7.545 -2.767 -0.963
63 HG3 PRO 12 2HG PRO 12 -8.716 -3.746 -1.866
64 HD2 PRO 12 1HD PRO 12 -7.642 -4.558 0.483
65 HD3 PRO 12 2HD PRO 12 -8.095 -5.695 -0.803
66 H TYR 13 H TYR 13 -4.869 -3.710 0.406
67 HA TYR 13 HA TYR 13 -2.875 -1.771 -0.567
68 HB2 TYR 13 1HB TYR 13 -4.729 -1.430 1.800
69 HB3 TYR 13 2HB TYR 13 -3.494 -0.285 1.286
70 HD1 TYR 13 HD1 TYR 13 -3.772 0.958 -0.843
71 HD2 TYR 13 HD2 TYR 13 -6.853 -1.527 0.717
72 HE1 TYR 13 HE1 TYR 13 -5.400 2.058 -2.323
73 HE2 TYR 13 HE2 TYR 13 -8.489 -0.435 -0.759
74 HH TYR 13 HH TYR 13 -7.492 1.975 -3.144
75 H LYS 14 H LYS 14 -1.004 -2.795 -0.141
76 HA LYS 14 HA LYS 14 -0.520 -3.593 2.650
77 HB2 LYS 14 1HB LYS 14 -0.745 -5.651 1.461
78 HB3 LYS 14 2HB LYS 14 0.255 -5.071 0.136
79 HG2 LYS 14 1HG LYS 14 2.082 -4.873 1.997
80 HG3 LYS 14 2HG LYS 14 1.057 -6.043 2.833
81 HD2 LYS 14 1HD LYS 14 1.157 -7.479 0.795
82 HD3 LYS 14 2HD LYS 14 2.324 -6.345 0.112
83 HE2 LYS 14 1HE LYS 14 3.807 -6.755 2.037
84 HE3 LYS 14 2HE LYS 14 2.649 -7.931 2.658
85 HZ1 LYS 14 3HZ LYS 14 3.044 -8.802 0.148
86 HZ2 LYS 14 1HZ LYS 14 3.873 -9.383 1.504
87 HZ3 LYS 14 2HZ LYS 14 4.577 -8.195 0.528
88 H CYS 15 H CYS 15 1.216 -2.680 3.543
89 HA CYS 15 HA CYS 15 2.744 -0.750 2.155
90 HB2 CYS 15 1HB CYS 15 2.266 -0.763 4.626
91 HB3 CYS 15 2HB CYS 15 3.446 -2.059 4.787
92 H ASN 16 H ASN 16 4.904 -0.753 1.518
93 HA ASN 16 HA ASN 16 5.993 -3.426 0.975
94 HB2 ASN 16 1HB ASN 16 6.872 -0.832 -0.295
95 HB3 ASN 16 2HB ASN 16 7.177 -2.471 -0.862
96 HD21 ASN 16 1HD2 ASN 16 5.338 -3.714 -1.599
97 HD22 ASN 16 2HD2 ASN 16 4.001 -2.895 -2.325
98 H GLU 17 H GLU 17 6.635 -0.422 2.598
99 HA GLU 17 HA GLU 17 9.402 -0.620 2.952
100 HB2 GLU 17 1HB GLU 17 7.311 0.587 4.770
101 HB3 GLU 17 2HB GLU 17 9.043 0.827 4.948
102 HG2 GLU 17 1HG GLU 17 7.451 1.605 2.516
103 HG3 GLU 17 2HG GLU 17 7.887 2.700 3.827
104 H CYS 18 H CYS 18 6.815 -1.591 5.211
105 HA CYS 18 HA CYS 18 8.754 -3.293 6.608
106 HB2 CYS 18 1HB CYS 18 7.068 -3.383 8.413
107 HB3 CYS 18 2HB CYS 18 7.541 -1.731 8.028
108 H GLY 19 H GLY 19 5.685 -3.367 4.893
109 HA2 GLY 19 1HA GLY 19 5.103 -5.288 3.570
110 HA3 GLY 19 2HA GLY 19 5.942 -6.297 4.739
111 H LYS 20 H LYS 20 3.911 -3.781 5.936
112 HA LYS 20 HA LYS 20 2.147 -5.756 7.117
113 HB2 LYS 20 1HB LYS 20 2.695 -2.858 7.531
114 HB3 LYS 20 2HB LYS 20 1.116 -3.467 8.011
115 HG2 LYS 20 1HG LYS 20 2.084 -4.999 9.549
116 HG3 LYS 20 2HG LYS 20 3.709 -4.678 8.936
117 HD2 LYS 20 1HD LYS 20 3.730 -2.502 9.858
118 HD3 LYS 20 2HD LYS 20 1.992 -2.534 10.165
119 HE2 LYS 20 1HE LYS 20 3.070 -2.860 12.255
120 HE3 LYS 20 2HE LYS 20 2.416 -4.423 11.768
121 HZ1 LYS 20 3HZ LYS 20 5.198 -3.555 11.974
122 HZ2 LYS 20 1HZ LYS 20 4.816 -4.650 10.742
123 HZ3 LYS 20 2HZ LYS 20 4.500 -5.048 12.356
124 H VAL 21 H VAL 21 -0.247 -5.230 7.173
125 HA VAL 21 HA VAL 21 -1.162 -4.169 4.584
126 HB VAL 21 HB VAL 21 -2.373 -6.602 5.891
127 HG11 VAL 21 1HG1 VAL 21 -2.741 -5.229 3.243
128 HG12 VAL 21 2HG1 VAL 21 -3.277 -6.884 3.535
129 HG13 VAL 21 3HG1 VAL 21 -3.948 -5.558 4.485
130 HG21 VAL 21 3HG2 VAL 21 -0.806 -7.914 5.015
131 HG22 VAL 21 1HG2 VAL 21 -1.014 -7.173 3.428
132 HG23 VAL 21 2HG2 VAL 21 0.110 -6.468 4.590
133 H PHE 22 H PHE 22 -3.318 -3.356 4.557
134 HA PHE 22 HA PHE 22 -4.584 -2.967 7.169
135 HB2 PHE 22 1HB PHE 22 -4.125 -0.699 5.225
136 HB3 PHE 22 2HB PHE 22 -4.857 -0.593 6.822
137 HD1 PHE 22 HD1 PHE 22 -1.698 -1.264 5.027
138 HD2 PHE 22 HD2 PHE 22 -3.537 -0.333 8.751
139 HE1 PHE 22 HE1 PHE 22 0.515 -0.813 6.003
140 HE2 PHE 22 HE2 PHE 22 -1.327 0.121 9.732
141 HZ PHE 22 HZ PHE 22 0.703 -0.118 8.358
142 H ARG 23 H ARG 23 -6.764 -1.729 6.783
143 HA ARG 23 HA ARG 23 -8.181 -3.260 4.749
144 HB2 ARG 23 1HB ARG 23 -8.905 -3.018 7.214
145 HB3 ARG 23 2HB ARG 23 -9.453 -1.412 6.751
146 HG2 ARG 23 1HG ARG 23 -10.772 -2.614 4.906
147 HG3 ARG 23 2HG ARG 23 -10.469 -4.077 5.845
148 HD2 ARG 23 1HD ARG 23 -11.608 -1.626 7.138
149 HD3 ARG 23 2HD ARG 23 -12.647 -2.747 6.259
150 HE ARG 23 HE ARG 23 -11.547 -3.124 8.851
151 HH11 ARG 23 1HH1 ARG 23 -12.417 -4.816 5.936
152 HH12 ARG 23 2HH1 ARG 23 -12.692 -6.326 6.740
153 HH21 ARG 23 1HH2 ARG 23 -11.905 -5.106 9.921
154 HH22 ARG 23 2HH2 ARG 23 -12.401 -6.490 9.006
155 H HIS 24 H HIS 24 -8.024 0.127 5.850
156 HA HIS 24 HA HIS 24 -9.010 0.959 3.209
157 HB2 HIS 24 1HB HIS 24 -10.076 1.679 5.508
158 HB3 HIS 24 2HB HIS 24 -8.762 2.852 5.513
159 HD1 HIS 24 HD1 HIS 24 -8.868 4.757 3.778
160 HD2 HIS 24 HD2 HIS 24 -12.082 2.131 3.604
161 HE1 HIS 24 HE1 HIS 24 -10.579 5.884 2.319
162 H ASN 25 H ASN 25 -7.968 2.637 2.069
163 HA ASN 25 HA ASN 25 -5.133 2.563 2.205
164 HB2 ASN 25 1HB ASN 25 -5.866 2.912 0.042
165 HB3 ASN 25 2HB ASN 25 -7.148 4.012 0.541
166 HD21 ASN 25 1HD2 ASN 25 -6.623 6.171 1.027
167 HD22 ASN 25 2HD2 ASN 25 -5.176 6.897 0.422
168 H SER 26 H SER 26 -7.435 5.243 2.707
169 HA SER 26 HA SER 26 -5.881 7.303 3.397
170 HB2 SER 26 1HB SER 26 -7.599 7.994 5.053
171 HB3 SER 26 2HB SER 26 -8.308 7.431 3.539
172 HG SER 26 HG SER 26 -9.443 6.389 5.073
173 H TYR 27 H TYR 27 -6.695 4.661 5.634
174 HA TYR 27 HA TYR 27 -5.196 5.617 7.812
175 HB2 TYR 27 1HB TYR 27 -5.915 2.759 7.126
176 HB3 TYR 27 2HB TYR 27 -5.383 3.335 8.702
177 HD1 TYR 27 HD2 TYR 27 -6.939 5.855 8.914
178 HD2 TYR 27 HD1 TYR 27 -8.090 2.002 7.523
179 HE1 TYR 27 HE2 TYR 27 -9.272 6.336 9.528
180 HE2 TYR 27 HE1 TYR 27 -10.426 2.473 8.133
181 HH TYR 27 HH TYR 27 -11.324 5.464 9.791
182 H LEU 28 H LEU 28 -4.388 3.205 5.323
183 HA LEU 28 HA LEU 28 -1.909 2.407 6.123
184 HB2 LEU 28 1HB LEU 28 -2.770 1.401 4.201
185 HB3 LEU 28 2HB LEU 28 -3.028 2.948 3.397
186 HG LEU 28 HG LEU 28 -0.588 3.183 3.127
187 HD11 LEU 28 1HD1 LEU 28 0.845 1.228 3.532
188 HD12 LEU 28 2HD1 LEU 28 -0.512 0.408 4.303
189 HD13 LEU 28 3HD1 LEU 28 0.157 1.873 5.022
190 HD21 LEU 28 3HD2 LEU 28 -1.936 0.734 2.019
191 HD22 LEU 28 1HD2 LEU 28 -0.335 1.259 1.497
192 HD23 LEU 28 2HD2 LEU 28 -1.729 2.312 1.257
193 H SER 29 H SER 29 -2.684 5.365 4.324
194 HA SER 29 HA SER 29 -0.125 6.310 3.865
195 HB2 SER 29 1HB SER 29 -2.785 7.624 4.232
196 HB3 SER 29 2HB SER 29 -1.344 8.639 4.185
197 HG SER 29 HG SER 29 -0.845 7.481 2.172
198 H ARG 30 H ARG 30 -2.201 6.905 6.693
199 HA ARG 30 HA ARG 30 -0.504 8.560 8.126
200 HB2 ARG 30 1HB ARG 30 -2.326 6.449 9.293
201 HB3 ARG 30 2HB ARG 30 -1.736 7.891 10.108
202 HG2 ARG 30 1HG ARG 30 -3.279 8.227 7.591
203 HG3 ARG 30 2HG ARG 30 -4.146 7.787 9.063
204 HD2 ARG 30 1HD ARG 30 -2.315 10.163 8.738
205 HD3 ARG 30 2HD ARG 30 -4.077 10.216 8.731
206 HE ARG 30 HE ARG 30 -3.561 9.064 11.097
207 HH11 ARG 30 1HH1 ARG 30 -2.269 11.909 9.562
208 HH12 ARG 30 2HH1 ARG 30 -1.964 12.735 11.054
209 HH21 ARG 30 1HH2 ARG 30 -3.164 10.141 13.068
210 HH22 ARG 30 2HH2 ARG 30 -2.472 11.728 13.048
211 H HIS 31 H HIS 31 -0.578 5.033 7.954
212 HA HIS 31 HA HIS 31 1.375 4.584 9.959
213 HB2 HIS 31 1HB HIS 31 0.169 2.668 9.544
214 HB3 HIS 31 2HB HIS 31 0.113 2.951 7.806
215 HD1 HIS 31 HD1 HIS 31 2.536 1.781 10.474
216 HD2 HIS 31 HD2 HIS 31 1.965 1.558 6.365
217 HE1 HIS 31 HE1 HIS 31 4.278 0.170 9.640
218 H GLN 32 H GLN 32 1.616 4.426 6.402
219 HA GLN 32 HA GLN 32 4.221 3.888 6.008
220 HB2 GLN 32 1HB GLN 32 2.561 5.983 4.607
221 HB3 GLN 32 2HB GLN 32 4.142 5.465 4.039
222 HG2 GLN 32 1HG GLN 32 3.141 3.097 4.075
223 HG3 GLN 32 2HG GLN 32 1.584 3.922 4.148
224 HE21 GLN 32 1HE2 GLN 32 1.391 2.675 2.084
225 HE22 GLN 32 2HE2 GLN 32 1.908 3.461 0.636
226 H ARG 33 H ARG 33 2.957 6.751 7.485
227 HA ARG 33 HA ARG 33 4.971 8.594 7.161
228 HB2 ARG 33 1HB ARG 33 3.437 8.045 9.709
229 HB3 ARG 33 2HB ARG 33 4.291 9.533 9.321
230 HG2 ARG 33 1HG ARG 33 2.138 8.539 7.509
231 HG3 ARG 33 2HG ARG 33 1.724 9.392 8.997
232 HD2 ARG 33 1HD ARG 33 3.632 10.477 6.936
233 HD3 ARG 33 2HD ARG 33 1.904 10.825 6.935
234 HE ARG 33 HE ARG 33 2.849 11.454 9.463
235 HH11 ARG 33 1HH1 ARG 33 3.359 12.501 6.183
236 HH12 ARG 33 2HH1 ARG 33 3.758 14.127 6.626
237 HH21 ARG 33 1HH2 ARG 33 3.372 13.592 10.059
238 HH22 ARG 33 2HH2 ARG 33 3.766 14.747 8.831
239 H ILE 34 H ILE 34 4.768 6.094 9.690
240 HA ILE 34 HA ILE 34 7.061 6.601 11.093
241 HB ILE 34 HB ILE 34 7.122 4.291 11.745
242 HG12 ILE 34 1HG1 ILE 34 5.076 3.558 9.677
243 HG13 ILE 34 2HG1 ILE 34 6.785 3.558 9.255
244 HG21 ILE 34 1HG2 ILE 34 5.350 4.901 12.953
245 HG22 ILE 34 2HG2 ILE 34 4.637 5.785 11.605
246 HG23 ILE 34 3HG2 ILE 34 4.374 4.048 11.757
247 HD11 ILE 34 3HD1 ILE 34 7.229 1.949 11.023
248 HD12 ILE 34 1HD1 ILE 34 5.523 1.962 11.472
249 HD13 ILE 34 2HD1 ILE 34 6.016 1.343 9.895
250 H HIS 35 H HIS 35 6.794 5.480 7.848
251 HA HIS 35 HA HIS 35 9.573 4.599 7.751
252 HB2 HIS 35 1HB HIS 35 7.439 4.640 5.607
253 HB3 HIS 35 2HB HIS 35 9.054 3.963 5.418
254 HD1 HIS 35 HD1 HIS 35 9.370 2.283 7.887
255 HD2 HIS 35 HD2 HIS 35 5.810 2.488 5.754
256 HE1 HIS 35 HE1 HIS 35 8.121 0.176 8.459
257 H THR 36 H THR 36 8.833 7.417 8.223
258 HA THR 36 HA THR 36 10.734 8.625 6.498
259 HB THR 36 HB THR 36 8.808 8.505 4.925
260 HG1 THR 36 HG1 THR 36 9.547 10.329 4.151
261 HG21 THR 36 3HG2 THR 36 7.479 9.882 7.187
262 HG22 THR 36 1HG2 THR 36 6.818 8.761 5.998
263 HG23 THR 36 2HG2 THR 36 7.082 10.450 5.566
264 H GLY 37 H GLY 37 10.582 11.145 6.756
265 HA2 GLY 37 1HA GLY 37 11.157 11.919 9.260
266 HA3 GLY 37 2HA GLY 37 10.351 13.000 8.133
267 H GLU 38 H GLU 38 10.197 12.266 11.166
268 HA GLU 38 HA GLU 38 7.499 13.005 11.508
269 HB2 GLU 38 1HB GLU 38 7.507 10.450 10.809
270 HB3 GLU 38 2HB GLU 38 7.894 10.223 12.509
271 HG2 GLU 38 1HG GLU 38 5.508 11.754 11.504
272 HG3 GLU 38 2HG GLU 38 5.478 10.058 11.984
273 H LYS 39 H LYS 39 7.490 14.109 13.342
274 HA LYS 39 HA LYS 39 9.307 13.263 15.503
275 HB2 LYS 39 1HB LYS 39 9.548 15.609 16.127
276 HB3 LYS 39 2HB LYS 39 10.042 15.361 14.457
277 HG2 LYS 39 1HG LYS 39 7.889 16.232 13.692
278 HG3 LYS 39 2HG LYS 39 7.402 16.490 15.370
279 HD2 LYS 39 1HD LYS 39 8.810 18.276 15.645
280 HD3 LYS 39 2HD LYS 39 9.962 17.692 14.442
281 HE2 LYS 39 1HE LYS 39 7.217 18.725 13.756
282 HE3 LYS 39 2HE LYS 39 8.656 19.743 13.790
283 HZ1 LYS 39 3HZ LYS 39 9.381 17.603 12.261
284 HZ2 LYS 39 1HZ LYS 39 8.941 19.133 11.687
285 HZ3 LYS 39 2HZ LYS 39 7.785 17.902 11.786
286 HA PRO 40 HA PRO 40 5.772 12.913 18.098
287 HB2 PRO 40 1HB PRO 40 6.951 13.278 20.515
288 HB3 PRO 40 2HB PRO 40 7.141 11.798 19.567
289 HG2 PRO 40 1HG PRO 40 8.993 14.136 19.820
290 HG3 PRO 40 2HG PRO 40 9.371 12.403 19.824
291 HD2 PRO 40 1HD PRO 40 9.707 13.963 17.636
292 HD3 PRO 40 2HD PRO 40 9.265 12.247 17.527
293 H SER 41 H SER 41 4.729 14.857 17.346
294 HA SER 41 HA SER 41 5.322 17.380 18.591
295 HB2 SER 41 1HB SER 41 3.368 16.391 16.571
296 HB3 SER 41 2HB SER 41 2.960 17.868 17.445
297 HG SER 41 HG SER 41 4.433 17.765 15.365
298 H GLY 42 H GLY 42 5.044 17.165 20.794
299 HA2 GLY 42 1HA GLY 42 2.672 17.792 21.970
300 HA3 GLY 42 2HA GLY 42 2.636 16.036 21.902
301 HA PRO 43 HA PRO 43 5.441 17.863 25.396
302 HB2 PRO 43 1HB PRO 43 3.647 18.497 27.332
303 HB3 PRO 43 2HB PRO 43 4.226 19.666 26.139
304 HG2 PRO 43 1HG PRO 43 1.676 18.099 26.173
305 HG3 PRO 43 2HG PRO 43 1.935 19.805 25.764
306 HD2 PRO 43 1HD PRO 43 1.634 17.884 23.879
307 HD3 PRO 43 2HD PRO 43 2.657 19.314 23.631
308 H SER 44 H SER 44 5.223 17.097 27.860
309 HA SER 44 HA SER 44 5.087 14.255 27.747
310 HB2 SER 44 1HB SER 44 5.870 14.277 29.986
311 HB3 SER 44 2HB SER 44 6.624 15.674 29.218
312 HG SER 44 HG SER 44 4.880 16.933 30.130
313 H SER 45 H SER 45 3.649 12.843 28.724
314 HA SER 45 HA SER 45 1.027 14.012 29.366
315 HB2 SER 45 1HB SER 45 1.458 12.242 27.450
316 HB3 SER 45 2HB SER 45 1.378 11.097 28.789
317 HG SER 45 HG SER 45 -0.674 12.152 29.316
318 H GLY 46 H GLY 46 0.313 13.917 31.390
319 HA2 GLY 46 1HA GLY 46 1.848 12.476 33.381
320 HA3 GLY 46 2HA GLY 46 0.507 13.570 33.685
Start of MODEL 19
1 H1 GLY 1 H GLY 1 18.058 -21.224 -1.647
2 HA2 GLY 1 1HA GLY 1 17.652 -20.231 1.091
3 HA3 GLY 1 2HA GLY 1 17.441 -19.128 -0.261
4 H SER 2 H SER 2 15.282 -19.073 0.971
5 HA SER 2 HA SER 2 13.516 -21.293 0.335
6 HB2 SER 2 1HB SER 2 13.277 -20.259 2.526
7 HB3 SER 2 2HB SER 2 13.004 -18.683 1.782
8 HG SER 2 HG SER 2 11.235 -20.185 0.676
9 H SER 3 H SER 3 11.715 -21.162 -1.006
10 HA SER 3 HA SER 3 11.800 -18.951 -2.948
11 HB2 SER 3 1HB SER 3 10.814 -21.794 -3.281
12 HB3 SER 3 2HB SER 3 10.706 -20.543 -4.520
13 HG SER 3 HG SER 3 13.176 -21.199 -3.329
14 H GLY 4 H GLY 4 10.274 -17.488 -2.551
15 HA2 GLY 4 1HA GLY 4 8.220 -16.554 -2.128
16 HA3 GLY 4 2HA GLY 4 7.534 -18.070 -2.692
17 H SER 5 H SER 5 6.144 -16.859 -0.799
18 HA SER 5 HA SER 5 6.739 -18.426 1.622
19 HB2 SER 5 1HB SER 5 6.057 -16.630 3.035
20 HB3 SER 5 2HB SER 5 7.178 -15.934 1.866
21 HG SER 5 HG SER 5 5.148 -14.758 2.252
22 H SER 6 H SER 6 4.666 -18.422 3.082
23 HA SER 6 HA SER 6 2.518 -19.443 1.390
24 HB2 SER 6 1HB SER 6 3.222 -19.748 4.297
25 HB3 SER 6 2HB SER 6 1.610 -20.167 3.717
26 HG SER 6 HG SER 6 2.516 -22.001 3.233
27 H GLY 7 H GLY 7 1.172 -17.882 0.714
28 HA2 GLY 7 1HA GLY 7 -0.417 -16.227 0.799
29 HA3 GLY 7 2HA GLY 7 -0.613 -16.638 2.496
30 H THR 8 H THR 8 -0.258 -14.079 0.715
31 HA THR 8 HA THR 8 0.971 -12.529 2.784
32 HB THR 8 HB THR 8 3.020 -13.284 1.723
33 HG1 THR 8 HG1 THR 8 2.684 -10.658 0.745
34 HG21 THR 8 3HG2 THR 8 1.512 -13.157 -0.643
35 HG22 THR 8 1HG2 THR 8 3.202 -13.632 -0.472
36 HG23 THR 8 2HG2 THR 8 2.788 -11.952 -0.815
37 H GLY 9 H GLY 9 -0.462 -10.925 2.880
38 HA2 GLY 9 1HA GLY 9 -1.360 -8.887 2.136
39 HA3 GLY 9 2HA GLY 9 -0.941 -9.330 0.487
40 H GLU 10 H GLU 10 -3.256 -9.828 3.089
41 HA GLU 10 HA GLU 10 -5.087 -11.212 1.296
42 HB2 GLU 10 1HB GLU 10 -4.711 -11.869 3.727
43 HB3 GLU 10 2HB GLU 10 -5.605 -10.418 4.157
44 HG2 GLU 10 1HG GLU 10 -7.599 -11.255 3.425
45 HG3 GLU 10 2HG GLU 10 -6.842 -12.329 2.249
46 H LYS 11 H LYS 11 -4.292 -8.238 1.235
47 HA LYS 11 HA LYS 11 -6.970 -7.281 0.655
48 HB2 LYS 11 1HB LYS 11 -5.310 -6.279 2.911
49 HB3 LYS 11 2HB LYS 11 -6.176 -5.084 1.955
50 HG2 LYS 11 1HG LYS 11 -8.220 -5.786 2.669
51 HG3 LYS 11 2HG LYS 11 -7.687 -7.451 2.915
52 HD2 LYS 11 1HD LYS 11 -6.539 -5.315 4.646
53 HD3 LYS 11 2HD LYS 11 -8.191 -5.855 4.955
54 HE2 LYS 11 1HE LYS 11 -7.362 -8.182 5.084
55 HE3 LYS 11 2HE LYS 11 -5.718 -7.582 4.873
56 HZ1 LYS 11 3HZ LYS 11 -6.453 -8.014 7.226
57 HZ2 LYS 11 1HZ LYS 11 -7.470 -6.669 7.079
58 HZ3 LYS 11 2HZ LYS 11 -5.795 -6.483 6.933
59 HA PRO 12 HA PRO 12 -4.950 -5.148 -2.605
60 HB2 PRO 12 1HB PRO 12 -6.509 -2.941 -2.873
61 HB3 PRO 12 2HB PRO 12 -7.036 -4.555 -3.365
62 HG2 PRO 12 1HG PRO 12 -7.662 -3.041 -0.860
63 HG3 PRO 12 2HG PRO 12 -8.741 -4.007 -1.882
64 HD2 PRO 12 1HD PRO 12 -7.696 -4.949 0.431
65 HD3 PRO 12 2HD PRO 12 -8.038 -5.999 -0.959
66 H TYR 13 H TYR 13 -5.107 -3.829 0.519
67 HA TYR 13 HA TYR 13 -3.210 -1.697 -0.220
68 HB2 TYR 13 1HB TYR 13 -5.089 -1.810 2.149
69 HB3 TYR 13 2HB TYR 13 -3.934 -0.521 1.827
70 HD1 TYR 13 HD1 TYR 13 -4.291 1.024 -0.057
71 HD2 TYR 13 HD2 TYR 13 -7.164 -1.950 0.949
72 HE1 TYR 13 HE1 TYR 13 -5.974 2.199 -1.412
73 HE2 TYR 13 HE2 TYR 13 -8.854 -0.783 -0.405
74 HH TYR 13 HH TYR 13 -8.778 0.848 -2.438
75 H LYS 14 H LYS 14 -1.264 -2.648 0.057
76 HA LYS 14 HA LYS 14 -0.639 -3.613 2.761
77 HB2 LYS 14 1HB LYS 14 -0.814 -5.630 1.537
78 HB3 LYS 14 2HB LYS 14 0.007 -4.947 0.140
79 HG2 LYS 14 1HG LYS 14 2.062 -4.767 1.603
80 HG3 LYS 14 2HG LYS 14 1.196 -5.765 2.774
81 HD2 LYS 14 1HD LYS 14 0.843 -7.402 0.837
82 HD3 LYS 14 2HD LYS 14 2.087 -6.477 -0.006
83 HE2 LYS 14 1HE LYS 14 3.354 -8.116 0.989
84 HE3 LYS 14 2HE LYS 14 3.435 -6.843 2.206
85 HZ1 LYS 14 3HZ LYS 14 1.186 -8.603 2.536
86 HZ2 LYS 14 1HZ LYS 14 2.330 -8.085 3.671
87 HZ3 LYS 14 2HZ LYS 14 2.674 -9.398 2.662
88 H CYS 15 H CYS 15 1.113 -2.697 3.623
89 HA CYS 15 HA CYS 15 2.495 -0.627 2.296
90 HB2 CYS 15 1HB CYS 15 2.175 -0.826 4.779
91 HB3 CYS 15 2HB CYS 15 3.390 -2.101 4.779
92 H ASN 16 H ASN 16 4.633 -0.498 1.568
93 HA ASN 16 HA ASN 16 5.763 -3.078 0.738
94 HB2 ASN 16 1HB ASN 16 5.160 -1.339 -1.001
95 HB3 ASN 16 2HB ASN 16 6.463 -0.348 -0.351
96 HD21 ASN 16 1HD2 ASN 16 6.575 -1.008 -2.937
97 HD22 ASN 16 2HD2 ASN 16 7.803 -2.190 -3.222
98 H GLU 17 H GLU 17 6.397 -0.214 2.591
99 HA GLU 17 HA GLU 17 9.199 -0.403 2.781
100 HB2 GLU 17 1HB GLU 17 7.069 0.877 4.455
101 HB3 GLU 17 2HB GLU 17 8.723 0.817 5.047
102 HG2 GLU 17 1HG GLU 17 7.767 2.105 2.503
103 HG3 GLU 17 2HG GLU 17 8.324 2.922 3.962
104 H CYS 18 H CYS 18 6.643 -1.588 4.958
105 HA CYS 18 HA CYS 18 8.642 -3.341 6.224
106 HB2 CYS 18 1HB CYS 18 7.126 -3.436 8.153
107 HB3 CYS 18 2HB CYS 18 7.570 -1.775 7.774
108 H GLY 19 H GLY 19 5.383 -3.223 4.862
109 HA2 GLY 19 1HA GLY 19 4.840 -5.168 3.411
110 HA3 GLY 19 2HA GLY 19 5.440 -6.175 4.720
111 H LYS 20 H LYS 20 4.168 -4.338 6.716
112 HA LYS 20 HA LYS 20 1.979 -5.679 7.467
113 HB2 LYS 20 1HB LYS 20 2.700 -2.800 7.669
114 HB3 LYS 20 2HB LYS 20 1.057 -3.251 8.105
115 HG2 LYS 20 1HG LYS 20 1.966 -4.886 9.713
116 HG3 LYS 20 2HG LYS 20 3.594 -4.334 9.313
117 HD2 LYS 20 1HD LYS 20 3.191 -3.037 11.151
118 HD3 LYS 20 2HD LYS 20 2.548 -1.974 9.896
119 HE2 LYS 20 1HE LYS 20 0.300 -3.066 10.327
120 HE3 LYS 20 2HE LYS 20 1.031 -3.783 11.763
121 HZ1 LYS 20 3HZ LYS 20 -0.206 -1.626 12.086
122 HZ2 LYS 20 1HZ LYS 20 1.062 -0.865 11.265
123 HZ3 LYS 20 2HZ LYS 20 1.363 -1.680 12.716
124 H VAL 21 H VAL 21 -0.303 -5.489 7.204
125 HA VAL 21 HA VAL 21 -1.101 -4.400 4.582
126 HB VAL 21 HB VAL 21 -2.391 -6.764 5.939
127 HG11 VAL 21 1HG1 VAL 21 -3.112 -5.139 3.734
128 HG12 VAL 21 2HG1 VAL 21 -2.662 -6.726 3.107
129 HG13 VAL 21 3HG1 VAL 21 -3.917 -6.586 4.339
130 HG21 VAL 21 3HG2 VAL 21 -1.167 -7.963 3.944
131 HG22 VAL 21 1HG2 VAL 21 -0.041 -6.616 4.113
132 HG23 VAL 21 2HG2 VAL 21 -0.342 -7.691 5.478
133 H PHE 22 H PHE 22 -3.083 -3.366 4.421
134 HA PHE 22 HA PHE 22 -4.558 -2.932 6.926
135 HB2 PHE 22 1HB PHE 22 -3.854 -0.755 4.947
136 HB3 PHE 22 2HB PHE 22 -4.768 -0.556 6.438
137 HD1 PHE 22 HD1 PHE 22 -1.457 -1.770 5.234
138 HD2 PHE 22 HD2 PHE 22 -3.663 0.137 8.334
139 HE1 PHE 22 HE1 PHE 22 0.636 -1.334 6.450
140 HE2 PHE 22 HE2 PHE 22 -1.573 0.577 9.555
141 HZ PHE 22 HZ PHE 22 0.580 -0.158 8.613
142 H ARG 23 H ARG 23 -6.690 -1.715 6.403
143 HA ARG 23 HA ARG 23 -8.003 -3.242 4.300
144 HB2 ARG 23 1HB ARG 23 -8.958 -1.645 6.654
145 HB3 ARG 23 2HB ARG 23 -10.070 -2.061 5.357
146 HG2 ARG 23 1HG ARG 23 -9.462 -4.456 5.709
147 HG3 ARG 23 2HG ARG 23 -8.544 -3.951 7.129
148 HD2 ARG 23 1HD ARG 23 -10.702 -2.851 7.924
149 HD3 ARG 23 2HD ARG 23 -11.506 -3.776 6.657
150 HE ARG 23 HE ARG 23 -10.156 -5.684 7.970
151 HH11 ARG 23 1HH1 ARG 23 -12.224 -3.113 9.082
152 HH12 ARG 23 2HH1 ARG 23 -12.779 -3.986 10.472
153 HH21 ARG 23 1HH2 ARG 23 -10.880 -6.843 9.796
154 HH22 ARG 23 2HH2 ARG 23 -12.013 -6.107 10.878
155 H HIS 24 H HIS 24 -7.919 0.160 5.373
156 HA HIS 24 HA HIS 24 -8.699 0.965 2.658
157 HB2 HIS 24 1HB HIS 24 -9.955 1.720 4.817
158 HB3 HIS 24 2HB HIS 24 -8.609 2.841 4.999
159 HD1 HIS 24 HD1 HIS 24 -9.110 5.056 4.052
160 HD2 HIS 24 HD2 HIS 24 -11.058 2.028 1.977
161 HE1 HIS 24 HE1 HIS 24 -10.439 6.216 2.259
162 H ASN 25 H ASN 25 -7.728 3.111 1.948
163 HA ASN 25 HA ASN 25 -4.859 2.847 2.043
164 HB2 ASN 25 1HB ASN 25 -6.401 3.520 0.026
165 HB3 ASN 25 2HB ASN 25 -6.248 5.139 0.703
166 HD21 ASN 25 1HD2 ASN 25 -4.295 6.193 0.613
167 HD22 ASN 25 2HD2 ASN 25 -2.969 5.629 -0.341
168 H SER 26 H SER 26 -7.217 5.363 2.916
169 HA SER 26 HA SER 26 -5.629 7.375 3.794
170 HB2 SER 26 1HB SER 26 -8.230 7.057 3.913
171 HB3 SER 26 2HB SER 26 -7.899 6.537 5.565
172 HG SER 26 HG SER 26 -6.990 8.988 4.463
173 H TYR 27 H TYR 27 -6.623 4.596 5.790
174 HA TYR 27 HA TYR 27 -5.142 5.278 8.066
175 HB2 TYR 27 1HB TYR 27 -5.724 2.448 7.201
176 HB3 TYR 27 2HB TYR 27 -5.559 3.068 8.840
177 HD1 TYR 27 HD2 TYR 27 -7.279 5.343 8.984
178 HD2 TYR 27 HD1 TYR 27 -7.880 1.705 6.862
179 HE1 TYR 27 HE2 TYR 27 -9.712 5.682 9.103
180 HE2 TYR 27 HE1 TYR 27 -10.315 2.035 6.974
181 HH TYR 27 HH TYR 27 -11.745 4.922 7.736
182 H LEU 28 H LEU 28 -4.293 3.288 5.262
183 HA LEU 28 HA LEU 28 -1.825 2.343 6.135
184 HB2 LEU 28 1HB LEU 28 -2.798 1.431 4.171
185 HB3 LEU 28 2HB LEU 28 -2.843 3.007 3.384
186 HG LEU 28 HG LEU 28 -0.374 2.981 3.270
187 HD11 LEU 28 1HD1 LEU 28 0.688 0.697 3.610
188 HD12 LEU 28 2HD1 LEU 28 -0.752 0.288 4.541
189 HD13 LEU 28 3HD1 LEU 28 0.285 1.615 5.061
190 HD21 LEU 28 3HD2 LEU 28 -1.756 0.602 2.033
191 HD22 LEU 28 1HD2 LEU 28 -0.210 1.274 1.515
192 HD23 LEU 28 2HD2 LEU 28 -1.682 2.233 1.365
193 H SER 29 H SER 29 -2.478 5.207 4.112
194 HA SER 29 HA SER 29 0.040 6.197 3.795
195 HB2 SER 29 1HB SER 29 -2.329 7.148 3.110
196 HB3 SER 29 2HB SER 29 -2.102 8.145 4.547
197 HG SER 29 HG SER 29 -0.476 8.009 2.234
198 H ARG 30 H ARG 30 -2.094 6.838 6.571
199 HA ARG 30 HA ARG 30 -0.409 8.490 8.024
200 HB2 ARG 30 1HB ARG 30 -2.650 6.660 8.708
201 HB3 ARG 30 2HB ARG 30 -1.642 7.227 10.032
202 HG2 ARG 30 1HG ARG 30 -3.207 8.866 10.040
203 HG3 ARG 30 2HG ARG 30 -2.080 9.567 8.877
204 HD2 ARG 30 1HD ARG 30 -4.206 7.759 7.855
205 HD3 ARG 30 2HD ARG 30 -4.674 9.377 8.377
206 HE ARG 30 HE ARG 30 -3.157 8.678 6.034
207 HH11 ARG 30 1HH1 ARG 30 -3.903 11.186 8.331
208 HH12 ARG 30 2HH1 ARG 30 -3.483 12.477 7.254
209 HH21 ARG 30 1HH2 ARG 30 -2.602 10.369 4.607
210 HH22 ARG 30 2HH2 ARG 30 -2.745 12.011 5.136
211 H HIS 31 H HIS 31 -0.595 4.950 8.014
212 HA HIS 31 HA HIS 31 1.325 4.510 10.028
213 HB2 HIS 31 1HB HIS 31 0.101 2.606 9.613
214 HB3 HIS 31 2HB HIS 31 0.095 2.860 7.870
215 HD1 HIS 31 HD1 HIS 31 2.554 1.842 10.586
216 HD2 HIS 31 HD2 HIS 31 1.834 1.269 6.534
217 HE1 HIS 31 HE1 HIS 31 4.259 0.154 9.832
218 H GLN 32 H GLN 32 1.685 4.151 6.493
219 HA GLN 32 HA GLN 32 4.310 3.631 6.235
220 HB2 GLN 32 1HB GLN 32 2.530 5.435 4.632
221 HB3 GLN 32 2HB GLN 32 4.224 5.252 4.197
222 HG2 GLN 32 1HG GLN 32 3.703 2.713 4.274
223 HG3 GLN 32 2HG GLN 32 2.026 3.237 4.126
224 HE21 GLN 32 1HE2 GLN 32 2.810 1.726 2.162
225 HE22 GLN 32 2HE2 GLN 32 3.158 2.624 0.727
226 H ARG 33 H ARG 33 2.949 6.586 7.426
227 HA ARG 33 HA ARG 33 4.933 8.438 7.043
228 HB2 ARG 33 1HB ARG 33 3.332 8.018 9.575
229 HB3 ARG 33 2HB ARG 33 4.189 9.491 9.140
230 HG2 ARG 33 1HG ARG 33 2.164 8.427 7.244
231 HG3 ARG 33 2HG ARG 33 1.609 9.221 8.718
232 HD2 ARG 33 1HD ARG 33 3.453 10.391 6.638
233 HD3 ARG 33 2HD ARG 33 1.760 10.816 6.890
234 HE ARG 33 HE ARG 33 2.983 11.266 9.304
235 HH11 ARG 33 1HH1 ARG 33 3.407 12.393 6.038
236 HH12 ARG 33 2HH1 ARG 33 4.017 13.944 6.513
237 HH21 ARG 33 1HH2 ARG 33 3.784 13.303 9.943
238 HH22 ARG 33 2HH2 ARG 33 4.232 14.460 8.735
239 H ILE 34 H ILE 34 4.719 6.132 9.752
240 HA ILE 34 HA ILE 34 6.931 6.758 11.195
241 HB ILE 34 HB ILE 34 7.092 4.464 11.904
242 HG12 ILE 34 1HG1 ILE 34 5.151 3.598 9.785
243 HG13 ILE 34 2HG1 ILE 34 6.875 3.651 9.432
244 HG21 ILE 34 1HG2 ILE 34 4.348 4.107 11.818
245 HG22 ILE 34 2HG2 ILE 34 5.255 4.988 13.046
246 HG23 ILE 34 3HG2 ILE 34 4.560 5.852 11.674
247 HD11 ILE 34 3HD1 ILE 34 7.190 1.713 10.443
248 HD12 ILE 34 1HD1 ILE 34 6.417 2.297 11.916
249 HD13 ILE 34 2HD1 ILE 34 5.442 1.582 10.632
250 H HIS 35 H HIS 35 6.860 5.470 7.989
251 HA HIS 35 HA HIS 35 9.650 4.681 8.014
252 HB2 HIS 35 1HB HIS 35 7.679 4.823 5.722
253 HB3 HIS 35 2HB HIS 35 9.281 4.095 5.655
254 HD1 HIS 35 HD1 HIS 35 9.313 2.370 8.127
255 HD2 HIS 35 HD2 HIS 35 5.990 2.711 5.657
256 HE1 HIS 35 HE1 HIS 35 7.955 0.294 8.536
257 H THR 36 H THR 36 9.251 7.381 8.681
258 HA THR 36 HA THR 36 10.408 8.733 6.329
259 HB THR 36 HB THR 36 9.523 10.865 7.292
260 HG1 THR 36 HG1 THR 36 8.733 9.113 9.260
261 HG21 THR 36 3HG2 THR 36 8.029 10.443 5.680
262 HG22 THR 36 1HG2 THR 36 6.976 9.838 6.957
263 HG23 THR 36 2HG2 THR 36 7.998 8.720 6.054
264 H GLY 37 H GLY 37 12.413 9.487 6.566
265 HA2 GLY 37 1HA GLY 37 13.557 10.903 8.557
266 HA3 GLY 37 2HA GLY 37 13.721 9.252 9.138
267 H GLU 38 H GLU 38 15.652 8.425 8.746
268 HA GLU 38 HA GLU 38 17.639 9.526 7.202
269 HB2 GLU 38 1HB GLU 38 17.651 7.521 8.898
270 HB3 GLU 38 2HB GLU 38 17.477 6.547 7.445
271 HG2 GLU 38 1HG GLU 38 19.533 7.346 6.564
272 HG3 GLU 38 2HG GLU 38 19.666 8.570 7.825
273 H LYS 39 H LYS 39 18.640 8.771 5.204
274 HA LYS 39 HA LYS 39 17.073 8.936 2.989
275 HB2 LYS 39 1HB LYS 39 19.747 7.732 3.502
276 HB3 LYS 39 2HB LYS 39 18.990 7.399 1.950
277 HG2 LYS 39 1HG LYS 39 20.367 9.281 1.626
278 HG3 LYS 39 2HG LYS 39 18.711 9.890 1.684
279 HD2 LYS 39 1HD LYS 39 19.935 11.380 3.017
280 HD3 LYS 39 2HD LYS 39 19.141 10.304 4.171
281 HE2 LYS 39 1HE LYS 39 21.312 10.411 4.978
282 HE3 LYS 39 2HE LYS 39 21.324 8.927 4.027
283 HZ1 LYS 39 3HZ LYS 39 22.668 9.828 2.462
284 HZ2 LYS 39 1HZ LYS 39 23.176 10.770 3.772
285 HZ3 LYS 39 2HZ LYS 39 22.066 11.397 2.661
286 HA PRO 40 HA PRO 40 14.819 5.209 2.444
287 HB2 PRO 40 1HB PRO 40 14.800 4.980 -0.260
288 HB3 PRO 40 2HB PRO 40 13.854 6.195 0.607
289 HG2 PRO 40 1HG PRO 40 16.489 6.485 -0.784
290 HG3 PRO 40 2HG PRO 40 15.089 7.573 -0.802
291 HD2 PRO 40 1HD PRO 40 17.265 8.024 0.744
292 HD3 PRO 40 2HD PRO 40 15.628 8.504 1.236
293 H SER 41 H SER 41 14.930 3.004 1.646
294 HA SER 41 HA SER 41 17.401 2.032 0.529
295 HB2 SER 41 1HB SER 41 16.763 1.712 3.434
296 HB3 SER 41 2HB SER 41 17.561 0.385 2.590
297 HG SER 41 HG SER 41 19.333 1.478 2.757
298 H GLY 42 H GLY 42 17.064 0.206 -0.601
299 HA2 GLY 42 1HA GLY 42 15.982 -2.041 -0.575
300 HA3 GLY 42 2HA GLY 42 14.500 -1.196 -0.151
301 HA PRO 43 HA PRO 43 15.588 -0.257 -4.803
302 HB2 PRO 43 1HB PRO 43 17.167 -2.128 -5.975
303 HB3 PRO 43 2HB PRO 43 17.811 -0.669 -5.211
304 HG2 PRO 43 1HG PRO 43 17.629 -3.453 -4.126
305 HG3 PRO 43 2HG PRO 43 18.968 -2.296 -4.018
306 HD2 PRO 43 1HD PRO 43 17.242 -2.720 -1.976
307 HD3 PRO 43 2HD PRO 43 17.996 -1.142 -2.276
308 H SER 44 H SER 44 14.408 -1.039 -6.560
309 HA SER 44 HA SER 44 12.791 -3.398 -5.971
310 HB2 SER 44 1HB SER 44 12.452 -1.288 -8.117
311 HB3 SER 44 2HB SER 44 11.305 -2.575 -7.748
312 HG SER 44 HG SER 44 10.558 -0.901 -6.598
313 H SER 45 H SER 45 14.425 -2.018 -8.828
314 HA SER 45 HA SER 45 15.105 -3.041 -10.773
315 HB2 SER 45 1HB SER 45 16.976 -3.348 -9.111
316 HB3 SER 45 2HB SER 45 16.362 -4.973 -8.814
317 HG SER 45 HG SER 45 16.924 -4.128 -11.438
318 H GLY 46 H GLY 46 12.510 -3.843 -10.171
319 HA2 GLY 46 1HA GLY 46 12.473 -6.746 -10.604
320 HA3 GLY 46 2HA GLY 46 11.093 -5.754 -10.154
Start of MODEL 20
1 H1 GLY 1 H GLY 1 12.275 -15.674 2.382
2 HA2 GLY 1 1HA GLY 1 12.364 -17.594 4.568
3 HA3 GLY 1 2HA GLY 1 12.007 -15.935 5.023
4 H SER 2 H SER 2 9.974 -16.776 5.811
5 HA SER 2 HA SER 2 7.955 -16.766 3.705
6 HB2 SER 2 1HB SER 2 8.584 -19.172 4.263
7 HB3 SER 2 2HB SER 2 7.884 -18.886 5.856
8 HG SER 2 HG SER 2 5.910 -18.693 4.974
9 H SER 3 H SER 3 6.685 -15.130 4.256
10 HA SER 3 HA SER 3 6.505 -13.777 6.598
11 HB2 SER 3 1HB SER 3 4.453 -12.847 5.839
12 HB3 SER 3 2HB SER 3 5.362 -13.244 4.381
13 HG SER 3 HG SER 3 4.113 -15.343 4.586
14 H GLY 4 H GLY 4 5.032 -13.744 8.373
15 HA2 GLY 4 1HA GLY 4 4.682 -16.196 9.655
16 HA3 GLY 4 2HA GLY 4 3.880 -14.701 10.111
17 H SER 5 H SER 5 1.930 -14.122 8.804
18 HA SER 5 HA SER 5 -0.029 -16.037 8.986
19 HB2 SER 5 1HB SER 5 0.214 -13.480 7.466
20 HB3 SER 5 2HB SER 5 -1.148 -14.538 7.096
21 HG SER 5 HG SER 5 -1.858 -13.270 8.724
22 H SER 6 H SER 6 -1.055 -17.440 7.567
23 HA SER 6 HA SER 6 0.056 -17.807 4.900
24 HB2 SER 6 1HB SER 6 -0.002 -20.058 6.924
25 HB3 SER 6 2HB SER 6 0.491 -20.191 5.236
26 HG SER 6 HG SER 6 2.230 -19.941 6.816
27 H GLY 7 H GLY 7 -1.675 -17.802 3.631
28 HA2 GLY 7 1HA GLY 7 -3.555 -19.547 3.164
29 HA3 GLY 7 2HA GLY 7 -4.203 -18.883 4.656
30 H THR 8 H THR 8 -5.470 -18.849 2.091
31 HA THR 8 HA THR 8 -5.231 -16.497 0.653
32 HB THR 8 HB THR 8 -7.789 -17.996 1.253
33 HG1 THR 8 HG1 THR 8 -6.125 -19.271 0.264
34 HG21 THR 8 3HG2 THR 8 -7.612 -16.742 -1.343
35 HG22 THR 8 1HG2 THR 8 -7.436 -15.552 -0.054
36 HG23 THR 8 2HG2 THR 8 -8.862 -16.589 -0.108
37 H GLY 9 H GLY 9 -5.654 -14.418 1.049
38 HA2 GLY 9 1HA GLY 9 -7.697 -13.178 2.250
39 HA3 GLY 9 2HA GLY 9 -6.751 -13.688 3.641
40 H GLU 10 H GLU 10 -6.140 -12.167 0.469
41 HA GLU 10 HA GLU 10 -4.270 -10.342 1.819
42 HB2 GLU 10 1HB GLU 10 -3.283 -9.968 -0.398
43 HB3 GLU 10 2HB GLU 10 -3.261 -11.670 0.040
44 HG2 GLU 10 1HG GLU 10 -5.539 -11.675 -1.294
45 HG3 GLU 10 2HG GLU 10 -4.808 -10.270 -2.066
46 H LYS 11 H LYS 11 -4.476 -8.150 1.632
47 HA LYS 11 HA LYS 11 -7.015 -7.201 0.498
48 HB2 LYS 11 1HB LYS 11 -5.222 -6.125 2.666
49 HB3 LYS 11 2HB LYS 11 -6.482 -5.141 1.931
50 HG2 LYS 11 1HG LYS 11 -7.968 -7.244 2.552
51 HG3 LYS 11 2HG LYS 11 -6.706 -7.456 3.767
52 HD2 LYS 11 1HD LYS 11 -8.206 -6.118 4.896
53 HD3 LYS 11 2HD LYS 11 -7.112 -4.913 4.213
54 HE2 LYS 11 1HE LYS 11 -8.640 -4.258 2.596
55 HE3 LYS 11 2HE LYS 11 -9.542 -5.769 2.695
56 HZ1 LYS 11 3HZ LYS 11 -10.810 -4.987 4.341
57 HZ2 LYS 11 1HZ LYS 11 -10.274 -3.455 3.862
58 HZ3 LYS 11 2HZ LYS 11 -9.516 -4.254 5.146
59 HA PRO 12 HA PRO 12 -5.042 -4.853 -2.642
60 HB2 PRO 12 1HB PRO 12 -6.627 -2.652 -2.756
61 HB3 PRO 12 2HB PRO 12 -7.141 -4.238 -3.346
62 HG2 PRO 12 1HG PRO 12 -7.762 -2.892 -0.745
63 HG3 PRO 12 2HG PRO 12 -8.839 -3.804 -1.818
64 HD2 PRO 12 1HD PRO 12 -7.764 -4.878 0.423
65 HD3 PRO 12 2HD PRO 12 -8.107 -5.842 -1.029
66 H TYR 13 H TYR 13 -5.071 -3.834 0.561
67 HA TYR 13 HA TYR 13 -3.232 -1.615 -0.057
68 HB2 TYR 13 1HB TYR 13 -5.041 -1.853 2.356
69 HB3 TYR 13 2HB TYR 13 -3.961 -0.511 1.993
70 HD1 TYR 13 HD1 TYR 13 -4.492 1.055 0.179
71 HD2 TYR 13 HD2 TYR 13 -7.160 -2.084 1.239
72 HE1 TYR 13 HE1 TYR 13 -6.293 2.173 -1.069
73 HE2 TYR 13 HE2 TYR 13 -8.968 -0.976 -0.007
74 HH TYR 13 HH TYR 13 -9.476 1.484 -0.714
75 H LYS 14 H LYS 14 -1.253 -2.439 0.231
76 HA LYS 14 HA LYS 14 -0.619 -3.571 2.856
77 HB2 LYS 14 1HB LYS 14 -0.860 -5.545 1.552
78 HB3 LYS 14 2HB LYS 14 0.002 -4.839 0.192
79 HG2 LYS 14 1HG LYS 14 2.046 -4.778 1.645
80 HG3 LYS 14 2HG LYS 14 1.142 -5.724 2.830
81 HD2 LYS 14 1HD LYS 14 0.774 -7.457 1.096
82 HD3 LYS 14 2HD LYS 14 1.791 -6.526 -0.007
83 HE2 LYS 14 1HE LYS 14 2.861 -7.254 2.678
84 HE3 LYS 14 2HE LYS 14 2.784 -8.496 1.429
85 HZ1 LYS 14 3HZ LYS 14 4.220 -7.289 0.053
86 HZ2 LYS 14 1HZ LYS 14 4.913 -7.171 1.592
87 HZ3 LYS 14 2HZ LYS 14 4.050 -5.865 0.950
88 H CYS 15 H CYS 15 1.161 -2.704 3.711
89 HA CYS 15 HA CYS 15 2.566 -0.641 2.371
90 HB2 CYS 15 1HB CYS 15 2.194 -0.869 4.876
91 HB3 CYS 15 2HB CYS 15 3.483 -2.068 4.867
92 H ASN 16 H ASN 16 4.765 -0.551 1.755
93 HA ASN 16 HA ASN 16 5.856 -3.166 0.966
94 HB2 ASN 16 1HB ASN 16 7.269 -1.597 -0.594
95 HB3 ASN 16 2HB ASN 16 5.608 -1.999 -1.019
96 HD21 ASN 16 1HD2 ASN 16 7.796 0.460 -0.622
97 HD22 ASN 16 2HD2 ASN 16 6.699 1.792 -0.539
98 H GLU 17 H GLU 17 6.551 -0.182 2.643
99 HA GLU 17 HA GLU 17 9.336 -0.484 2.914
100 HB2 GLU 17 1HB GLU 17 7.254 1.000 4.495
101 HB3 GLU 17 2HB GLU 17 8.934 0.973 5.013
102 HG2 GLU 17 1HG GLU 17 9.637 2.283 3.293
103 HG3 GLU 17 2HG GLU 17 8.370 1.725 2.203
104 H CYS 18 H CYS 18 6.644 -1.525 4.971
105 HA CYS 18 HA CYS 18 8.549 -3.135 6.537
106 HB2 CYS 18 1HB CYS 18 6.894 -3.113 8.339
107 HB3 CYS 18 2HB CYS 18 7.314 -1.471 7.861
108 H GLY 19 H GLY 19 5.379 -3.171 4.958
109 HA2 GLY 19 1HA GLY 19 4.927 -5.181 3.590
110 HA3 GLY 19 2HA GLY 19 5.539 -6.122 4.941
111 H LYS 20 H LYS 20 4.180 -4.385 6.907
112 HA LYS 20 HA LYS 20 1.966 -5.810 7.511
113 HB2 LYS 20 1HB LYS 20 2.692 -2.954 7.986
114 HB3 LYS 20 2HB LYS 20 1.072 -3.487 8.417
115 HG2 LYS 20 1HG LYS 20 1.839 -4.928 10.056
116 HG3 LYS 20 2HG LYS 20 3.461 -5.013 9.363
117 HD2 LYS 20 1HD LYS 20 3.774 -2.617 9.979
118 HD3 LYS 20 2HD LYS 20 2.216 -2.675 10.806
119 HE2 LYS 20 1HE LYS 20 4.361 -4.659 11.456
120 HE3 LYS 20 2HE LYS 20 4.393 -3.045 12.164
121 HZ1 LYS 20 3HZ LYS 20 1.970 -4.724 12.317
122 HZ2 LYS 20 1HZ LYS 20 2.418 -3.419 13.295
123 HZ3 LYS 20 2HZ LYS 20 3.220 -4.900 13.443
124 H VAL 21 H VAL 21 -0.294 -5.590 7.201
125 HA VAL 21 HA VAL 21 -1.022 -4.216 4.695
126 HB VAL 21 HB VAL 21 -2.326 -6.699 5.816
127 HG11 VAL 21 1HG1 VAL 21 -3.674 -5.131 4.356
128 HG12 VAL 21 2HG1 VAL 21 -2.566 -5.548 3.048
129 HG13 VAL 21 3HG1 VAL 21 -3.554 -6.800 3.801
130 HG21 VAL 21 3HG2 VAL 21 0.159 -6.692 4.813
131 HG22 VAL 21 1HG2 VAL 21 -0.971 -8.027 4.580
132 HG23 VAL 21 2HG2 VAL 21 -0.759 -6.819 3.312
133 H PHE 22 H PHE 22 -3.033 -3.190 4.581
134 HA PHE 22 HA PHE 22 -4.471 -2.882 7.129
135 HB2 PHE 22 1HB PHE 22 -3.800 -0.644 5.206
136 HB3 PHE 22 2HB PHE 22 -4.740 -0.487 6.687
137 HD1 PHE 22 HD1 PHE 22 -1.398 -1.639 5.509
138 HD2 PHE 22 HD2 PHE 22 -3.674 0.174 8.616
139 HE1 PHE 22 HE1 PHE 22 0.671 -1.208 6.770
140 HE2 PHE 22 HE2 PHE 22 -1.609 0.609 9.880
141 HZ PHE 22 HZ PHE 22 0.568 -0.082 8.957
142 H ARG 23 H ARG 23 -6.625 -1.655 6.687
143 HA ARG 23 HA ARG 23 -8.005 -3.174 4.637
144 HB2 ARG 23 1HB ARG 23 -9.187 -1.198 6.590
145 HB3 ARG 23 2HB ARG 23 -10.035 -2.447 5.688
146 HG2 ARG 23 1HG ARG 23 -8.938 -4.174 6.964
147 HG3 ARG 23 2HG ARG 23 -7.961 -2.969 7.807
148 HD2 ARG 23 1HD ARG 23 -10.919 -2.688 7.895
149 HD3 ARG 23 2HD ARG 23 -10.179 -3.965 8.860
150 HE ARG 23 HE ARG 23 -8.977 -1.363 9.186
151 HH11 ARG 23 1HH1 ARG 23 -11.420 -3.582 10.295
152 HH12 ARG 23 2HH1 ARG 23 -11.549 -2.859 11.864
153 HH21 ARG 23 1HH2 ARG 23 -9.138 -0.403 11.248
154 HH22 ARG 23 2HH2 ARG 23 -10.252 -1.050 12.405
155 H HIS 24 H HIS 24 -7.881 0.263 5.594
156 HA HIS 24 HA HIS 24 -8.546 0.967 2.815
157 HB2 HIS 24 1HB HIS 24 -9.964 1.705 4.928
158 HB3 HIS 24 2HB HIS 24 -8.734 2.961 5.029
159 HD1 HIS 24 HD1 HIS 24 -9.900 4.989 4.191
160 HD2 HIS 24 HD2 HIS 24 -10.542 1.693 1.745
161 HE1 HIS 24 HE1 HIS 24 -11.167 5.864 2.203
162 H ASN 25 H ASN 25 -7.613 3.110 2.101
163 HA ASN 25 HA ASN 25 -4.779 2.984 2.295
164 HB2 ASN 25 1HB ASN 25 -5.965 3.738 0.257
165 HB3 ASN 25 2HB ASN 25 -6.511 5.172 1.122
166 HD21 ASN 25 1HD2 ASN 25 -5.339 6.920 0.855
167 HD22 ASN 25 2HD2 ASN 25 -3.677 6.972 0.385
168 H SER 26 H SER 26 -7.153 5.408 3.381
169 HA SER 26 HA SER 26 -5.669 7.338 4.485
170 HB2 SER 26 1HB SER 26 -8.091 7.325 4.696
171 HB3 SER 26 2HB SER 26 -8.016 5.972 5.824
172 HG SER 26 HG SER 26 -6.962 7.319 7.298
173 H TYR 27 H TYR 27 -6.189 4.160 5.958
174 HA TYR 27 HA TYR 27 -4.607 4.744 8.272
175 HB2 TYR 27 1HB TYR 27 -5.568 2.100 7.160
176 HB3 TYR 27 2HB TYR 27 -4.827 2.322 8.741
177 HD1 TYR 27 HD2 TYR 27 -6.073 4.585 9.910
178 HD2 TYR 27 HD1 TYR 27 -7.817 1.651 7.370
179 HE1 TYR 27 HE2 TYR 27 -8.281 5.065 10.882
180 HE2 TYR 27 HE1 TYR 27 -10.030 2.123 8.334
181 HH TYR 27 HH TYR 27 -10.460 3.901 11.165
182 H LEU 28 H LEU 28 -4.062 3.101 5.199
183 HA LEU 28 HA LEU 28 -1.519 2.050 5.776
184 HB2 LEU 28 1HB LEU 28 -2.662 1.208 3.892
185 HB3 LEU 28 2HB LEU 28 -2.879 2.819 3.211
186 HG LEU 28 HG LEU 28 -0.500 2.937 2.696
187 HD11 LEU 28 1HD1 LEU 28 0.794 1.744 4.096
188 HD12 LEU 28 2HD1 LEU 28 0.563 0.468 2.902
189 HD13 LEU 28 3HD1 LEU 28 -0.436 0.507 4.354
190 HD21 LEU 28 3HD2 LEU 28 -1.620 0.325 1.699
191 HD22 LEU 28 1HD2 LEU 28 -0.475 1.393 0.885
192 HD23 LEU 28 2HD2 LEU 28 -2.148 1.904 1.113
193 H SER 29 H SER 29 -2.396 5.005 3.980
194 HA SER 29 HA SER 29 0.197 5.969 3.622
195 HB2 SER 29 1HB SER 29 -1.706 6.890 2.403
196 HB3 SER 29 2HB SER 29 -2.388 7.522 3.901
197 HG SER 29 HG SER 29 -0.253 8.673 4.036
198 H ARG 30 H ARG 30 -2.174 6.864 6.131
199 HA ARG 30 HA ARG 30 -0.526 8.589 7.575
200 HB2 ARG 30 1HB ARG 30 -2.194 8.637 9.147
201 HB3 ARG 30 2HB ARG 30 -3.089 7.973 7.788
202 HG2 ARG 30 1HG ARG 30 -2.766 5.719 8.674
203 HG3 ARG 30 2HG ARG 30 -1.871 6.389 10.040
204 HD2 ARG 30 1HD ARG 30 -4.601 7.433 9.480
205 HD3 ARG 30 2HD ARG 30 -4.448 5.835 10.210
206 HE ARG 30 HE ARG 30 -4.099 8.316 11.513
207 HH11 ARG 30 1HH1 ARG 30 -2.758 5.107 11.356
208 HH12 ARG 30 2HH1 ARG 30 -2.169 5.132 12.985
209 HH21 ARG 30 1HH2 ARG 30 -3.328 8.361 13.659
210 HH22 ARG 30 2HH2 ARG 30 -2.494 6.984 14.294
211 H HIS 31 H HIS 31 -0.331 5.223 7.210
212 HA HIS 31 HA HIS 31 1.100 4.810 9.717
213 HB2 HIS 31 1HB HIS 31 -0.158 2.925 9.394
214 HB3 HIS 31 2HB HIS 31 -0.090 3.049 7.638
215 HD1 HIS 31 HD1 HIS 31 1.953 1.850 10.573
216 HD2 HIS 31 HD2 HIS 31 1.875 1.547 6.430
217 HE1 HIS 31 HE1 HIS 31 3.660 0.096 9.995
218 H GLN 32 H GLN 32 1.705 4.273 6.242
219 HA GLN 32 HA GLN 32 4.344 3.567 6.310
220 HB2 GLN 32 1HB GLN 32 2.856 5.274 4.321
221 HB3 GLN 32 2HB GLN 32 4.519 4.762 4.065
222 HG2 GLN 32 1HG GLN 32 3.944 2.579 3.724
223 HG3 GLN 32 2HG GLN 32 2.485 2.694 4.706
224 HE21 GLN 32 1HE2 GLN 32 2.750 1.563 2.082
225 HE22 GLN 32 2HE2 GLN 32 1.711 2.464 1.037
226 H ARG 33 H ARG 33 2.973 6.775 6.694
227 HA ARG 33 HA ARG 33 5.132 8.416 6.354
228 HB2 ARG 33 1HB ARG 33 4.019 10.007 7.635
229 HB3 ARG 33 2HB ARG 33 2.712 8.957 7.105
230 HG2 ARG 33 1HG ARG 33 2.574 7.908 9.226
231 HG3 ARG 33 2HG ARG 33 4.078 8.659 9.765
232 HD2 ARG 33 1HD ARG 33 2.959 10.881 9.522
233 HD3 ARG 33 2HD ARG 33 1.452 10.025 9.198
234 HE ARG 33 HE ARG 33 2.753 9.273 11.660
235 HH11 ARG 33 1HH1 ARG 33 0.481 11.419 10.127
236 HH12 ARG 33 2HH1 ARG 33 -0.367 11.780 11.595
237 HH21 ARG 33 1HH2 ARG 33 1.645 9.740 13.598
238 HH22 ARG 33 2HH2 ARG 33 0.297 10.825 13.568
239 H ILE 34 H ILE 34 4.507 6.219 9.006
240 HA ILE 34 HA ILE 34 6.283 7.139 10.917
241 HB ILE 34 HB ILE 34 6.276 4.977 11.874
242 HG12 ILE 34 1HG1 ILE 34 5.352 3.862 9.218
243 HG13 ILE 34 2HG1 ILE 34 7.013 3.792 9.798
244 HG21 ILE 34 1HG2 ILE 34 3.720 4.345 10.921
245 HG22 ILE 34 2HG2 ILE 34 4.131 5.302 12.344
246 HG23 ILE 34 3HG2 ILE 34 3.864 6.098 10.793
247 HD11 ILE 34 3HD1 ILE 34 6.224 1.719 10.372
248 HD12 ILE 34 1HD1 ILE 34 5.946 2.621 11.862
249 HD13 ILE 34 2HD1 ILE 34 4.609 2.318 10.751
250 H HIS 35 H HIS 35 6.912 5.262 8.010
251 HA HIS 35 HA HIS 35 9.655 4.738 8.640
252 HB2 HIS 35 1HB HIS 35 8.388 4.663 5.901
253 HB3 HIS 35 2HB HIS 35 9.813 3.787 6.452
254 HD1 HIS 35 HD1 HIS 35 9.131 2.119 8.642
255 HD2 HIS 35 HD2 HIS 35 6.224 3.063 5.829
256 HE1 HIS 35 HE1 HIS 35 7.365 0.344 8.879
257 H THR 36 H THR 36 8.105 6.832 6.202
258 HA THR 36 HA THR 36 10.584 8.251 5.753
259 HB THR 36 HB THR 36 9.043 7.799 3.876
260 HG1 THR 36 HG1 THR 36 9.892 10.355 4.599
261 HG21 THR 36 3HG2 THR 36 7.212 9.608 5.441
262 HG22 THR 36 1HG2 THR 36 6.893 7.973 4.865
263 HG23 THR 36 2HG2 THR 36 7.011 9.306 3.715
264 H GLY 37 H GLY 37 9.733 8.469 8.413
265 HA2 GLY 37 1HA GLY 37 8.937 11.314 8.537
266 HA3 GLY 37 2HA GLY 37 8.462 10.131 9.747
267 H GLU 38 H GLU 38 10.221 9.114 10.999
268 HA GLU 38 HA GLU 38 12.248 11.124 11.637
269 HB2 GLU 38 1HB GLU 38 10.736 10.190 13.420
270 HB3 GLU 38 2HB GLU 38 11.535 8.640 13.198
271 HG2 GLU 38 1HG GLU 38 13.704 10.018 13.638
272 HG3 GLU 38 2HG GLU 38 12.588 11.160 14.385
273 H LYS 39 H LYS 39 12.758 9.785 9.291
274 HA LYS 39 HA LYS 39 15.311 8.603 9.881
275 HB2 LYS 39 1HB LYS 39 13.914 6.632 10.147
276 HB3 LYS 39 2HB LYS 39 13.147 6.930 8.593
277 HG2 LYS 39 1HG LYS 39 15.458 6.680 7.573
278 HG3 LYS 39 2HG LYS 39 15.959 6.039 9.140
279 HD2 LYS 39 1HD LYS 39 13.526 4.897 7.865
280 HD3 LYS 39 2HD LYS 39 15.100 4.457 7.198
281 HE2 LYS 39 1HE LYS 39 15.791 3.450 9.187
282 HE3 LYS 39 2HE LYS 39 14.562 4.278 10.142
283 HZ1 LYS 39 3HZ LYS 39 14.388 1.740 9.201
284 HZ2 LYS 39 1HZ LYS 39 13.455 2.609 8.088
285 HZ3 LYS 39 2HZ LYS 39 13.087 2.679 9.738
286 HA PRO 40 HA PRO 40 16.148 10.592 6.037
287 HB2 PRO 40 1HB PRO 40 18.561 9.461 5.519
288 HB3 PRO 40 2HB PRO 40 18.329 10.707 6.751
289 HG2 PRO 40 1HG PRO 40 18.518 7.737 7.073
290 HG3 PRO 40 2HG PRO 40 19.256 9.018 8.053
291 HD2 PRO 40 1HD PRO 40 17.013 7.708 8.818
292 HD3 PRO 40 2HD PRO 40 17.314 9.407 9.232
293 H SER 41 H SER 41 16.051 10.202 3.842
294 HA SER 41 HA SER 41 15.039 7.608 3.070
295 HB2 SER 41 1HB SER 41 14.240 9.963 2.264
296 HB3 SER 41 2HB SER 41 15.581 9.832 1.127
297 HG SER 41 HG SER 41 14.472 7.581 0.846
298 H GLY 42 H GLY 42 16.690 6.136 3.074
299 HA2 GLY 42 1HA GLY 42 18.143 5.069 1.407
300 HA3 GLY 42 2HA GLY 42 18.860 6.651 1.135
301 HA PRO 43 HA PRO 43 20.401 4.997 5.440
302 HB2 PRO 43 1HB PRO 43 20.165 2.314 5.781
303 HB3 PRO 43 2HB PRO 43 18.923 3.460 6.297
304 HG2 PRO 43 1HG PRO 43 19.036 1.776 3.825
305 HG3 PRO 43 2HG PRO 43 17.661 2.099 4.897
306 HD2 PRO 43 1HD PRO 43 18.000 3.382 2.537
307 HD3 PRO 43 2HD PRO 43 17.236 4.153 3.942
308 H SER 44 H SER 44 20.577 2.633 2.781
309 HA SER 44 HA SER 44 22.372 1.388 2.028
310 HB2 SER 44 1HB SER 44 24.157 2.914 1.109
311 HB3 SER 44 2HB SER 44 22.512 3.342 0.638
312 HG SER 44 HG SER 44 22.700 5.159 1.679
313 H SER 45 H SER 45 22.345 1.252 4.793
314 HA SER 45 HA SER 45 25.192 0.933 5.330
315 HB2 SER 45 1HB SER 45 25.119 2.077 7.457
316 HB3 SER 45 2HB SER 45 24.542 3.185 6.212
317 HG SER 45 HG SER 45 22.819 1.600 7.809
318 H GLY 46 H GLY 46 25.669 -0.723 6.747
319 HA2 GLY 46 1HA GLY 46 25.296 -2.530 8.143
320 HA3 GLY 46 2HA GLY 46 23.637 -1.985 8.342