Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
600833 | 2n52 RC | 25691 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H GLN 1 HT1 GLN 1 0.231 0.855 3.656
2 HA GLN 1 HA GLN 1 0.853 -0.955 5.881
3 HB2 GLN 1 HB2 GLN 1 -0.420 -1.538 3.204
4 HB3 GLN 1 HB1 GLN 1 0.520 -2.758 4.039
5 HG2 GLN 1 HG2 GLN 1 -1.881 -3.056 4.408
6 HG3 GLN 1 HG1 GLN 1 -1.041 -2.713 5.912
7 HE21 GLN 1 HE21 GLN 1 -2.904 -2.008 6.925
8 HE22 GLN 1 HE22 GLN 1 -3.655 -0.516 6.535
9 H GLY 2 HN GLY 2 2.496 1.179 4.690
10 HA2 GLY 2 HA2 GLY 2 4.856 0.745 4.371
11 HA3 GLY 2 HA1 GLY 2 4.400 -0.478 3.186
12 H GLY 3 HN GLY 3 3.089 2.739 3.729
13 HA2 GLY 3 HA2 GLY 3 4.155 4.416 2.160
14 HA3 GLY 3 HA1 GLY 3 3.489 3.374 0.860
15 H GLN 4 HN GLN 4 2.506 4.630 4.019
16 HA GLN 4 HA GLN 4 0.439 6.239 3.057
17 HB2 GLN 4 HB2 GLN 4 -0.541 3.967 3.317
18 HB3 GLN 4 HB1 GLN 4 0.299 3.779 4.851
19 HG2 GLN 4 HG2 GLN 4 -0.651 5.556 5.603
20 HG3 GLN 4 HG1 GLN 4 -1.732 5.838 4.217
21 HE21 GLN 4 HE21 GLN 4 -0.852 2.886 6.152
22 HE22 GLN 4 HE22 GLN 4 -2.488 2.467 6.502
23 H VAL 5 HN VAL 5 -0.157 7.235 5.277
24 HA VAL 5 HA VAL 5 2.131 8.140 6.769
25 HB VAL 5 HB VAL 5 -0.070 9.353 6.389
26 HG11 VAL 5 HG11 VAL 5 -1.000 7.411 8.434
27 HG12 VAL 5 HG12 VAL 5 -1.624 7.587 6.783
28 HG13 VAL 5 HG13 VAL 5 -1.929 8.853 7.996
29 HG21 VAL 5 HG21 VAL 5 -0.164 10.425 8.619
30 HG22 VAL 5 HG22 VAL 5 1.495 10.209 8.060
31 HG23 VAL 5 HG23 VAL 5 0.823 9.118 9.272
32 H ASP 6 HN ASP 6 2.362 5.498 6.842
33 HA ASP 6 HA ASP 6 0.852 4.012 8.697
34 HB2 ASP 6 HB2 ASP 6 3.528 3.373 7.436
35 HB3 ASP 6 HB1 ASP 6 2.579 2.249 8.391
36 H CYS 7 HN CYS 7 0.911 5.065 10.598
37 HA CYS 7 HA CYS 7 3.079 5.561 12.321
38 HB2 CYS 7 HB2 CYS 7 0.510 4.156 12.981
39 HB3 CYS 7 HB1 CYS 7 1.606 4.822 14.194
40 H GLY 8 HN GLY 8 4.841 4.490 12.186
41 HA2 GLY 8 HA2 GLY 8 5.149 1.754 11.668
42 HA3 GLY 8 HA1 GLY 8 6.399 2.837 12.232
43 H GLU 9 HN GLU 9 3.885 2.784 14.416
44 HA GLU 9 HA GLU 9 5.249 1.178 16.314
45 HB2 GLU 9 HB2 GLU 9 2.598 2.498 16.065
46 HB3 GLU 9 HB1 GLU 9 3.297 1.916 17.628
47 HG2 GLU 9 HG2 GLU 9 5.025 3.609 17.424
48 HG3 GLU 9 HG1 GLU 9 4.444 4.059 15.828
49 H PHE 10 HN PHE 10 2.231 1.251 14.548
50 HA PHE 10 HA PHE 10 0.988 -0.255 13.294
51 HB2 PHE 10 HB2 PHE 10 3.462 -0.028 12.504
52 HB3 PHE 10 HB1 PHE 10 3.296 -1.734 13.030
53 HD1 PHE 10 HD2 PHE 10 1.392 0.687 10.892
54 HD2 PHE 10 HD1 PHE 10 2.776 -3.317 11.325
55 HE1 PHE 10 HE2 PHE 10 0.314 0.089 8.763
56 HE2 PHE 10 HE1 PHE 10 1.699 -3.921 9.197
57 HZ PHE 10 HZ PHE 10 0.464 -2.218 7.914
58 H GLN 11 HN GLN 11 1.120 -1.030 15.768
59 HA GLN 11 HA GLN 11 1.479 -3.793 16.204
60 HB2 GLN 11 HB2 GLN 11 -0.303 -1.856 17.407
61 HB3 GLN 11 HB1 GLN 11 -0.156 -3.501 18.132
62 HG2 GLN 11 HG2 GLN 11 1.862 -1.529 17.470
63 HG3 GLN 11 HG1 GLN 11 1.230 -1.799 19.139
64 HE21 GLN 11 HE21 GLN 11 4.018 -2.046 18.020
65 HE22 GLN 11 HE22 GLN 11 4.505 -3.670 18.377
66 H ASP 12 HN ASP 12 -0.703 -2.194 14.539
67 HA ASP 12 HA ASP 12 -2.263 -4.522 13.841
68 HB2 ASP 12 HB2 ASP 12 -3.126 -2.766 15.538
69 HB3 ASP 12 HB1 ASP 12 -3.359 -1.835 14.087
70 H THR 13 HN THR 13 -3.599 -3.442 12.057
71 HA THR 13 HA THR 13 -1.582 -2.485 10.123
72 HB THR 13 HB THR 13 -2.721 -4.650 9.700
73 HG1 THR 13 HG1 THR 13 -2.261 -4.284 7.696
74 HG21 THR 13 HG21 THR 13 -5.140 -2.939 9.099
75 HG22 THR 13 HG22 THR 13 -4.993 -4.146 10.377
76 HG23 THR 13 HG23 THR 13 -4.995 -4.648 8.686
77 H LYS 14 HN LYS 14 -4.648 -1.691 11.489
78 HA LYS 14 HA LYS 14 -5.271 0.427 9.657
79 HB2 LYS 14 HB2 LYS 14 -7.294 0.597 10.972
80 HB3 LYS 14 HB1 LYS 14 -6.762 -1.091 10.767
81 HG2 LYS 14 HG2 LYS 14 -5.979 -1.270 12.964
82 HG3 LYS 14 HG1 LYS 14 -6.219 0.449 13.265
83 HD2 LYS 14 HD2 LYS 14 -8.613 0.194 13.123
84 HD3 LYS 14 HD1 LYS 14 -8.442 -1.493 12.630
85 HE2 LYS 14 HE2 LYS 14 -7.472 -0.391 15.264
86 HE3 LYS 14 HE1 LYS 14 -9.032 -1.179 15.041
87 HZ1 LYS 14 HZ1 LYS 14 -8.019 -3.226 14.655
88 HZ2 LYS 14 HZ2 LYS 14 -6.978 -2.550 15.836
89 HZ3 LYS 14 HZ3 LYS 14 -6.549 -2.556 14.231
90 H VAL 15 HN VAL 15 -2.779 0.486 11.440
91 HA VAL 15 HA VAL 15 -3.359 2.777 13.144
92 HB VAL 15 HB VAL 15 -0.691 1.465 12.838
93 HG11 VAL 15 HG11 VAL 15 -0.873 3.601 14.125
94 HG12 VAL 15 HG12 VAL 15 -0.283 2.256 15.095
95 HG13 VAL 15 HG13 VAL 15 -1.959 2.779 15.241
96 HG21 VAL 15 HG21 VAL 15 -2.904 0.544 14.650
97 HG22 VAL 15 HG22 VAL 15 -1.230 0.002 14.756
98 HG23 VAL 15 HG23 VAL 15 -2.183 -0.350 13.315
99 H TYR 16 HN TYR 16 -3.668 4.268 11.501
100 HA TYR 16 HA TYR 16 -1.221 5.352 10.335
101 HB2 TYR 16 HB2 TYR 16 -2.378 5.835 8.264
102 HB3 TYR 16 HB1 TYR 16 -2.683 4.138 8.657
103 HD1 TYR 16 HD2 TYR 16 -4.903 3.458 9.559
104 HD2 TYR 16 HD1 TYR 16 -4.182 7.387 8.100
105 HE1 TYR 16 HE2 TYR 16 -7.319 3.865 9.467
106 HE2 TYR 16 HE1 TYR 16 -6.595 7.807 8.018
107 HH TYR 16 HH TYR 16 -8.673 6.461 7.865
108 H CYS 17 HN CYS 17 -1.291 7.719 10.363
109 HA CYS 17 HA CYS 17 -3.456 8.615 12.082
110 HB2 CYS 17 HB2 CYS 17 -2.048 9.898 13.286
111 HB3 CYS 17 HB1 CYS 17 -1.242 8.350 12.976
112 H THR 18 HN THR 18 -3.408 11.047 12.296
113 HA THR 18 HA THR 18 -4.306 12.011 9.762
114 HB THR 18 HB THR 18 -5.184 13.820 11.239
115 HG1 THR 18 HG1 THR 18 -4.353 13.754 13.123
116 HG21 THR 18 HG21 THR 18 -5.855 11.055 11.828
117 HG22 THR 18 HG22 THR 18 -6.292 11.983 10.325
118 HG23 THR 18 HG23 THR 18 -6.989 12.447 11.917
119 H ARG 19 HN ARG 19 -3.739 13.842 8.971
120 HA ARG 19 HA ARG 19 -1.353 15.144 10.067
121 HB2 ARG 19 HB2 ARG 19 -1.175 16.439 7.997
122 HB3 ARG 19 HB1 ARG 19 -1.390 14.752 7.577
123 HG2 ARG 19 HG2 ARG 19 -3.096 15.320 6.258
124 HG3 ARG 19 HG1 ARG 19 -3.962 15.948 7.661
125 HD2 ARG 19 HD2 ARG 19 -2.001 17.491 5.937
126 HD3 ARG 19 HD1 ARG 19 -3.755 17.682 5.943
127 HE ARG 19 HE ARG 19 -1.979 18.332 8.201
128 HH11 ARG 19 HH11 ARG 19 -4.920 19.143 6.301
129 HH12 ARG 19 HH12 ARG 19 -5.459 20.200 7.548
130 HH21 ARG 19 HH21 ARG 19 -2.840 19.893 9.756
131 HH22 ARG 19 HH22 ARG 19 -4.367 20.594 9.392
132 H GLU 20 HN GLU 20 -4.634 15.217 10.207
133 HA GLU 20 HA GLU 20 -4.849 18.057 10.916
134 HB2 GLU 20 HB2 GLU 20 -6.653 16.132 9.658
135 HB3 GLU 20 HB1 GLU 20 -7.393 17.014 10.984
136 HG2 GLU 20 HG2 GLU 20 -6.137 18.158 8.507
137 HG3 GLU 20 HG1 GLU 20 -7.847 18.164 8.947
138 H SER 21 HN SER 21 -6.579 18.354 12.654
139 HA SER 21 HA SER 21 -5.892 16.483 14.747
140 HB2 SER 21 HB2 SER 21 -7.261 19.099 15.133
141 HB3 SER 21 HB1 SER 21 -6.583 17.896 16.278
142 HG SER 21 HG SER 21 -5.146 19.454 14.399
143 H ASN 22 HN ASN 22 -7.025 15.066 14.432
144 HA ASN 22 HA ASN 22 -9.988 15.197 14.402
145 HB2 ASN 22 HB2 ASN 22 -8.978 14.208 12.326
146 HB3 ASN 22 HB1 ASN 22 -8.268 12.960 13.341
147 HD21 ASN 22 HD21 ASN 22 -11.537 14.187 13.843
148 HD22 ASN 22 HD22 ASN 22 -12.306 12.721 13.347
149 HA PRO 23 HA PRO 23 -8.811 13.439 18.400
150 HB2 PRO 23 HB2 PRO 23 -11.466 14.097 19.350
151 HB3 PRO 23 HB1 PRO 23 -9.919 14.789 19.842
152 HG2 PRO 23 HG2 PRO 23 -11.773 16.190 18.433
153 HG3 PRO 23 HG1 PRO 23 -10.031 16.524 18.413
154 HD2 PRO 23 HD2 PRO 23 -11.698 15.147 16.372
155 HD3 PRO 23 HD1 PRO 23 -10.284 16.205 16.174
156 H HIS 24 HN HIS 24 -9.508 11.687 19.659
157 HA HIS 24 HA HIS 24 -11.575 9.789 18.716
158 HB2 HIS 24 HB2 HIS 24 -8.575 9.316 18.607
159 HB3 HIS 24 HB1 HIS 24 -9.826 8.085 18.710
160 HD1 HIS 24 HD1 HIS 24 -9.099 10.973 16.209
161 HD2 HIS 24 HD2 HIS 24 -10.242 6.977 16.315
162 HE1 HIS 24 HE1 HIS 24 -9.343 10.252 13.836
163 H CYS 25 HN CYS 25 -12.382 9.115 20.247
164 HA CYS 25 HA CYS 25 -10.871 8.891 22.737
165 HB2 CYS 25 HB2 CYS 25 -13.145 10.067 22.798
166 HB3 CYS 25 HB1 CYS 25 -13.815 8.471 22.395
167 H GLY 26 HN GLY 26 -9.899 7.018 22.803
168 HA2 GLY 26 HA2 GLY 26 -10.722 4.985 20.969
169 HA3 GLY 26 HA1 GLY 26 -9.336 4.957 22.054
170 H SER 27 HN SER 27 -11.146 2.891 21.583
171 HA SER 27 HA SER 27 -12.851 2.659 23.677
172 HB2 SER 27 HB2 SER 27 -11.455 0.440 22.165
173 HB3 SER 27 HB1 SER 27 -12.861 0.203 23.211
174 HG SER 27 HG SER 27 -13.948 0.664 21.451
175 H ASP 28 HN ASP 28 -9.488 2.866 23.749
176 HA ASP 28 HA ASP 28 -8.730 1.304 26.063
177 HB2 ASP 28 HB2 ASP 28 -7.247 2.361 24.120
178 HB3 ASP 28 HB1 ASP 28 -7.364 3.796 25.118
179 H GLY 29 HN GLY 29 -10.610 3.787 25.510
180 HA2 GLY 29 HA2 GLY 29 -11.951 4.618 27.337
181 HA3 GLY 29 HA1 GLY 29 -10.515 4.430 28.354
182 H GLN 30 HN GLN 30 -8.781 5.358 26.454
183 HA GLN 30 HA GLN 30 -8.923 8.007 27.390
184 HB2 GLN 30 HB2 GLN 30 -6.787 6.662 25.848
185 HB3 GLN 30 HB1 GLN 30 -6.671 8.315 26.469
186 HG2 GLN 30 HG2 GLN 30 -7.221 7.639 28.516
187 HG3 GLN 30 HG1 GLN 30 -7.352 5.918 27.990
188 HE21 GLN 30 HE21 GLN 30 -5.635 5.082 29.223
189 HE22 GLN 30 HE22 GLN 30 -3.980 5.577 29.056
190 H THR 31 HN THR 31 -8.449 9.821 26.332
191 HA THR 31 HA THR 31 -9.502 9.909 23.570
192 HB THR 31 HB THR 31 -9.594 12.153 25.592
193 HG1 THR 31 HG1 THR 31 -11.150 10.164 25.517
194 HG21 THR 31 HG21 THR 31 -9.340 13.079 23.338
195 HG22 THR 31 HG22 THR 31 -11.072 13.243 23.802
196 HG23 THR 31 HG23 THR 31 -10.573 11.994 22.719
197 H TYR 32 HN TYR 32 -8.312 10.656 22.033
198 HA TYR 32 HA TYR 32 -5.835 11.986 22.758
199 HB2 TYR 32 HB2 TYR 32 -6.319 9.962 20.571
200 HB3 TYR 32 HB1 TYR 32 -4.806 10.833 20.822
201 HD1 TYR 32 HD2 TYR 32 -3.497 10.453 22.907
202 HD2 TYR 32 HD1 TYR 32 -6.890 8.088 21.922
203 HE1 TYR 32 HE2 TYR 32 -2.802 8.778 24.567
204 HE2 TYR 32 HE1 TYR 32 -6.215 6.416 23.581
205 HH TYR 32 HH TYR 32 -3.979 6.989 25.956
206 H GLY 33 HN GLY 33 -5.318 13.639 21.674
207 HA2 GLY 33 HA2 GLY 33 -7.203 15.369 20.569
208 HA3 GLY 33 HA1 GLY 33 -5.472 15.596 20.439
209 H ASN 34 HN ASN 34 -5.027 13.190 18.794
210 HA ASN 34 HA ASN 34 -6.734 13.564 16.565
211 HB2 ASN 34 HB2 ASN 34 -4.970 14.085 14.914
212 HB3 ASN 34 HB1 ASN 34 -5.083 15.331 16.141
213 HD21 ASN 34 HD21 ASN 34 -3.053 16.098 15.707
214 HD22 ASN 34 HD22 ASN 34 -1.621 15.244 16.139
215 H LYS 35 HN LYS 35 -5.648 12.025 14.675
216 HA LYS 35 HA LYS 35 -5.946 9.525 16.013
217 HB2 LYS 35 HB2 LYS 35 -6.826 10.169 13.689
218 HB3 LYS 35 HB1 LYS 35 -5.133 9.886 13.234
219 HG2 LYS 35 HG2 LYS 35 -5.270 7.594 13.587
220 HG3 LYS 35 HG1 LYS 35 -6.686 7.743 14.631
221 HD2 LYS 35 HD2 LYS 35 -7.973 8.512 12.614
222 HD3 LYS 35 HD1 LYS 35 -6.568 8.073 11.639
223 HE2 LYS 35 HE2 LYS 35 -6.766 5.786 12.229
224 HE3 LYS 35 HE1 LYS 35 -7.939 6.144 13.496
225 HZ1 LYS 35 HZ1 LYS 35 -9.048 5.257 11.562
226 HZ2 LYS 35 HZ2 LYS 35 -8.402 6.432 10.555
227 HZ3 LYS 35 HZ3 LYS 35 -9.487 6.871 11.778
228 H CYS 36 HN CYS 36 -3.570 11.137 14.637
229 HA CYS 36 HA CYS 36 -1.382 9.287 14.829
230 HB2 CYS 36 HB2 CYS 36 -1.549 11.911 14.083
231 HB3 CYS 36 HB1 CYS 36 -0.629 11.981 15.585
232 H ALA 37 HN ALA 37 -2.621 11.373 17.054
233 HA ALA 37 HA ALA 37 -0.991 10.725 19.333
234 HB1 ALA 37 HB1 ALA 37 -2.323 12.747 19.270
235 HB2 ALA 37 HB2 ALA 37 -2.975 11.753 20.605
236 HB3 ALA 37 HB3 ALA 37 -3.728 11.747 18.992
237 H PHE 38 HN PHE 38 -3.887 9.496 17.948
238 HA PHE 38 HA PHE 38 -4.357 7.542 19.986
239 HB2 PHE 38 HB2 PHE 38 -6.235 8.556 18.773
240 HB3 PHE 38 HB1 PHE 38 -5.637 7.883 17.267
241 HD1 PHE 38 HD1 PHE 38 -6.212 6.378 20.647
242 HD2 PHE 38 HD2 PHE 38 -7.150 6.338 16.496
243 HE1 PHE 38 HE1 PHE 38 -7.634 4.407 20.990
244 HE2 PHE 38 HE2 PHE 38 -8.576 4.363 16.835
245 HZ PHE 38 HZ PHE 38 -8.820 3.394 19.086
246 H CYS 39 HN CYS 39 -2.256 7.523 17.206
247 HA CYS 39 HA CYS 39 -2.323 4.748 16.496
248 HB2 CYS 39 HB2 CYS 39 -0.256 6.879 16.313
249 HB3 CYS 39 HB1 CYS 39 0.122 5.221 15.818
250 H LYS 40 HN LYS 40 -0.245 6.269 18.898
251 HA LYS 40 HA LYS 40 1.044 3.883 19.466
252 HB2 LYS 40 HB2 LYS 40 1.710 5.083 21.439
253 HB3 LYS 40 HB1 LYS 40 2.137 5.818 19.824
254 HG2 LYS 40 HG2 LYS 40 -0.175 6.669 21.414
255 HG3 LYS 40 HG1 LYS 40 1.409 7.300 21.937
256 HD2 LYS 40 HD2 LYS 40 -0.210 7.728 19.432
257 HD3 LYS 40 HD1 LYS 40 0.208 8.875 20.638
258 HE2 LYS 40 HE2 LYS 40 1.637 9.451 18.819
259 HE3 LYS 40 HE1 LYS 40 2.655 8.676 20.017
260 HZ1 LYS 40 HZ1 LYS 40 2.751 6.666 18.595
261 HZ2 LYS 40 HZ2 LYS 40 3.141 7.985 17.704
262 HZ3 LYS 40 HZ3 LYS 40 1.629 7.315 17.547
263 H ALA 41 HN ALA 41 -1.407 5.480 20.410
264 HA ALA 41 HA ALA 41 -2.212 4.170 22.834
265 HB1 ALA 41 HB1 ALA 41 -3.648 5.408 20.756
266 HB2 ALA 41 HB2 ALA 41 -2.945 6.246 22.205
267 HB3 ALA 41 HB3 ALA 41 -4.313 5.036 22.362
268 H ILE 42 HN ILE 42 -2.804 3.557 19.387
269 HA ILE 42 HA ILE 42 -4.740 1.393 19.856
270 HB ILE 42 HB ILE 42 -2.921 2.349 17.646
271 HG12 ILE 42 HG12 ILE 42 -5.887 2.177 17.717
272 HG13 ILE 42 HG11 ILE 42 -4.846 3.413 18.492
273 HG21 ILE 42 HG21 ILE 42 -4.185 0.630 16.235
274 HG22 ILE 42 HG22 ILE 42 -4.545 -0.158 17.824
275 HG23 ILE 42 HG23 ILE 42 -2.897 0.138 17.332
276 HD11 ILE 42 HD11 ILE 42 -5.665 4.027 16.175
277 HD12 ILE 42 HD12 ILE 42 -4.483 2.786 15.614
278 HD13 ILE 42 HD13 ILE 42 -3.994 4.105 16.724
279 H VAL 43 HN VAL 43 -1.584 1.878 19.291
280 HA VAL 43 HA VAL 43 -0.430 -0.642 19.550
281 HB VAL 43 HB VAL 43 0.626 2.029 20.342
282 HG11 VAL 43 HG11 VAL 43 2.314 -0.378 19.562
283 HG12 VAL 43 HG12 VAL 43 2.058 0.154 21.218
284 HG13 VAL 43 HG13 VAL 43 2.889 1.206 20.074
285 HG21 VAL 43 HG21 VAL 43 0.751 0.582 17.688
286 HG22 VAL 43 HG22 VAL 43 1.489 2.154 18.064
287 HG23 VAL 43 HG23 VAL 43 -0.250 1.952 18.199
288 H LYS 44 HN LYS 44 -1.521 1.662 21.982
289 HA LYS 44 HA LYS 44 -0.455 0.865 24.366
290 HB2 LYS 44 HB2 LYS 44 -2.942 2.000 23.486
291 HB3 LYS 44 HB1 LYS 44 -3.075 1.151 25.010
292 HG2 LYS 44 HG2 LYS 44 -0.968 3.157 24.465
293 HG3 LYS 44 HG1 LYS 44 -2.552 3.642 25.085
294 HD2 LYS 44 HD2 LYS 44 -0.798 1.580 26.453
295 HD3 LYS 44 HD1 LYS 44 -0.743 3.291 26.858
296 HE2 LYS 44 HE2 LYS 44 -2.149 2.085 28.462
297 HE3 LYS 44 HE1 LYS 44 -3.118 3.210 27.533
298 HZ1 LYS 44 HZ1 LYS 44 -4.130 0.973 27.944
299 HZ2 LYS 44 HZ2 LYS 44 -3.082 0.278 26.805
300 HZ3 LYS 44 HZ3 LYS 44 -4.171 1.481 26.402
301 H SER 45 HN SER 45 -3.113 -0.605 22.792
302 HA SER 45 HA SER 45 -2.625 -2.947 24.443
303 HB2 SER 45 HB2 SER 45 -5.501 -2.066 23.991
304 HB3 SER 45 HB1 SER 45 -4.897 -3.317 25.056
305 HG SER 45 HG SER 45 -5.160 -0.658 25.584
306 H GLY 46 HN GLY 46 -1.544 -3.110 22.167
307 HA2 GLY 46 HA2 GLY 46 -1.242 -4.822 20.893
308 HA3 GLY 46 HA1 GLY 46 -2.923 -5.374 21.219
309 H GLY 47 HN GLY 47 -3.028 -2.331 20.035
310 HA2 GLY 47 HA2 GLY 47 -3.205 -1.596 17.837
311 HA3 GLY 47 HA1 GLY 47 -2.908 -3.255 17.331
312 H LYS 48 HN LYS 48 -4.890 -4.089 19.352
313 HA LYS 48 HA LYS 48 -7.043 -4.415 17.581
314 HB2 LYS 48 HB2 LYS 48 -6.617 -5.096 20.376
315 HB3 LYS 48 HB1 LYS 48 -7.800 -5.918 19.328
316 HG2 LYS 48 HG2 LYS 48 -4.749 -6.007 19.115
317 HG3 LYS 48 HG1 LYS 48 -5.822 -7.371 19.445
318 HD2 LYS 48 HD2 LYS 48 -6.711 -7.289 17.175
319 HD3 LYS 48 HD1 LYS 48 -5.915 -5.710 17.002
320 HE2 LYS 48 HE2 LYS 48 -4.168 -8.045 17.495
321 HE3 LYS 48 HE1 LYS 48 -4.867 -7.858 15.887
322 HZ1 LYS 48 HZ1 LYS 48 -3.217 -5.810 17.317
323 HZ2 LYS 48 HZ2 LYS 48 -3.989 -5.589 15.841
324 HZ3 LYS 48 HZ3 LYS 48 -2.734 -6.696 15.963
325 H ILE 49 HN ILE 49 -6.396 -2.056 19.894
326 HA ILE 49 HA ILE 49 -8.962 -1.540 20.893
327 HB ILE 49 HB ILE 49 -6.779 0.443 20.263
328 HG12 ILE 49 HG12 ILE 49 -7.295 -1.055 22.810
329 HG13 ILE 49 HG11 ILE 49 -6.087 -1.526 21.617
330 HG21 ILE 49 HG21 ILE 49 -9.018 0.582 22.302
331 HG22 ILE 49 HG22 ILE 49 -8.951 1.504 20.805
332 HG23 ILE 49 HG23 ILE 49 -7.755 1.793 22.066
333 HD11 ILE 49 HD11 ILE 49 -6.188 1.075 23.063
334 HD12 ILE 49 HD12 ILE 49 -4.998 0.535 21.869
335 HD13 ILE 49 HD13 ILE 49 -5.103 -0.275 23.424
336 H SER 50 HN SER 50 -10.486 -0.038 20.239
337 HA SER 50 HA SER 50 -10.462 0.763 17.440
338 HB2 SER 50 HB2 SER 50 -12.799 -0.372 19.006
339 HB3 SER 50 HB1 SER 50 -12.818 0.158 17.320
340 HG SER 50 HG SER 50 -10.981 -1.811 18.145
341 H LEU 51 HN LEU 51 -12.480 2.568 17.309
342 HA LEU 51 HA LEU 51 -11.892 4.301 19.298
343 HB2 LEU 51 HB2 LEU 51 -11.712 4.644 16.959
344 HB3 LEU 51 HB1 LEU 51 -13.435 4.320 16.825
345 HG LEU 51 HG LEU 51 -13.825 6.016 18.489
346 HD11 LEU 51 HD11 LEU 51 -11.808 7.620 18.593
347 HD12 LEU 51 HD12 LEU 51 -10.967 6.028 18.214
348 HD13 LEU 51 HD13 LEU 51 -12.019 6.175 19.598
349 HD21 LEU 51 HD21 LEU 51 -14.024 6.143 16.201
350 HD22 LEU 51 HD22 LEU 51 -12.387 6.898 16.088
351 HD23 LEU 51 HD23 LEU 51 -13.744 7.674 17.059
352 H LYS 52 HN LYS 52 -13.453 5.038 20.723
353 HA LYS 52 HA LYS 52 -16.166 4.048 20.473
354 HB2 LYS 52 HB2 LYS 52 -15.371 6.310 22.133
355 HB3 LYS 52 HB1 LYS 52 -16.718 5.212 22.424
356 HG2 LYS 52 HG2 LYS 52 -14.743 3.572 22.909
357 HG3 LYS 52 HG1 LYS 52 -13.886 5.143 23.027
358 HD2 LYS 52 HD2 LYS 52 -15.786 5.920 24.534
359 HD3 LYS 52 HD1 LYS 52 -16.283 4.238 24.644
360 HE2 LYS 52 HE2 LYS 52 -15.025 4.761 26.589
361 HE3 LYS 52 HE1 LYS 52 -14.002 3.745 25.569
362 HZ1 LYS 52 HZ1 LYS 52 -12.763 5.598 24.879
363 HZ2 LYS 52 HZ2 LYS 52 -12.933 5.853 26.555
364 HZ3 LYS 52 HZ3 LYS 52 -13.878 6.691 25.474
365 H HIS 53 HN HIS 53 -14.437 6.936 20.320
366 HA HIS 53 HA HIS 53 -16.832 8.252 19.084
367 HB2 HIS 53 HB2 HIS 53 -15.201 9.509 21.295
368 HB3 HIS 53 HB1 HIS 53 -16.395 10.335 20.338
369 HD1 HIS 53 HD1 HIS 53 -17.035 10.718 23.033
370 HD2 HIS 53 HD2 HIS 53 -18.023 7.105 21.247
371 HE1 HIS 53 HE1 HIS 53 -18.811 9.673 24.498
372 HA PRO 54 HA PRO 54 -13.651 10.422 16.731
373 HB2 PRO 54 HB2 PRO 54 -15.905 11.704 15.372
374 HB3 PRO 54 HB1 PRO 54 -14.723 10.592 14.656
375 HG2 PRO 54 HG2 PRO 54 -17.322 9.939 14.962
376 HG3 PRO 54 HG1 PRO 54 -16.004 8.752 14.997
377 HD2 PRO 54 HD2 PRO 54 -17.505 9.945 17.285
378 HD3 PRO 54 HD1 PRO 54 -16.934 8.278 17.038
379 H GLY 55 HN GLY 55 -12.986 11.973 18.052
380 HA2 GLY 55 HA2 GLY 55 -13.328 14.279 18.949
381 HA3 GLY 55 HA1 GLY 55 -14.974 13.784 19.286
382 H LYS 56 HN LYS 56 -13.905 14.590 21.494
383 HA LYS 56 HA LYS 56 -12.507 12.574 22.850
384 HB2 LYS 56 HB2 LYS 56 -12.612 14.070 24.691
385 HB3 LYS 56 HB1 LYS 56 -12.509 15.070 23.228
386 HG2 LYS 56 HG2 LYS 56 -14.749 15.652 23.328
387 HG3 LYS 56 HG1 LYS 56 -15.123 14.425 24.538
388 HD2 LYS 56 HD2 LYS 56 -13.438 15.679 26.038
389 HD3 LYS 56 HD1 LYS 56 -13.616 17.007 24.892
390 HE2 LYS 56 HE2 LYS 56 -15.130 17.344 26.749
391 HE3 LYS 56 HE1 LYS 56 -16.060 16.981 25.299
392 HZ1 LYS 56 HZ1 LYS 56 -16.845 15.735 27.341
393 HZ2 LYS 56 HZ2 LYS 56 -15.399 14.844 27.303
394 HZ3 LYS 56 HZ3 LYS 56 -16.433 14.721 26.094
395 H CYS 57 HN CYS 57 -13.387 11.824 24.887
396 HA CYS 57 HA CYS 57 -16.202 11.108 24.680
397 HB2 CYS 57 HB2 CYS 57 -14.071 10.306 26.677
398 HB3 CYS 57 HB1 CYS 57 -15.774 9.973 26.975
Start of MODEL 2
1 H GLN 1 HT1 GLN 1 -5.727 4.833 7.969
2 HA GLN 1 HA GLN 1 -3.465 3.064 7.271
3 HB2 GLN 1 HB2 GLN 1 -5.312 1.888 8.399
4 HB3 GLN 1 HB1 GLN 1 -6.466 2.607 7.290
5 HG2 GLN 1 HG2 GLN 1 -6.021 0.293 6.707
6 HG3 GLN 1 HG1 GLN 1 -5.453 1.378 5.438
7 HE21 GLN 1 HE21 GLN 1 -4.529 -0.840 7.934
8 HE22 GLN 1 HE22 GLN 1 -2.876 -0.958 7.486
9 H GLY 2 HN GLY 2 -3.035 2.899 5.064
10 HA2 GLY 2 HA2 GLY 2 -3.876 2.887 2.805
11 HA3 GLY 2 HA1 GLY 2 -4.962 4.183 3.251
12 H GLY 3 HN GLY 3 -1.941 3.343 1.918
13 HA2 GLY 3 HA2 GLY 3 -0.841 4.668 0.362
14 HA3 GLY 3 HA1 GLY 3 -1.657 6.080 1.006
15 H GLN 4 HN GLN 4 -0.766 7.182 2.687
16 HA GLN 4 HA GLN 4 2.093 7.118 2.895
17 HB2 GLN 4 HB2 GLN 4 1.751 9.076 4.322
18 HB3 GLN 4 HB1 GLN 4 0.771 9.165 2.854
19 HG2 GLN 4 HG2 GLN 4 -1.206 8.505 4.074
20 HG3 GLN 4 HG1 GLN 4 -0.252 8.308 5.540
21 HE21 GLN 4 HE21 GLN 4 0.392 10.121 6.678
22 HE22 GLN 4 HE22 GLN 4 -0.253 11.686 6.356
23 H VAL 5 HN VAL 5 3.054 7.323 5.153
24 HA VAL 5 HA VAL 5 2.280 4.986 6.627
25 HB VAL 5 HB VAL 5 4.352 7.021 7.513
26 HG11 VAL 5 HG11 VAL 5 5.216 5.195 8.887
27 HG12 VAL 5 HG12 VAL 5 3.969 4.121 8.257
28 HG13 VAL 5 HG13 VAL 5 3.508 5.488 9.263
29 HG21 VAL 5 HG21 VAL 5 6.039 5.521 6.535
30 HG22 VAL 5 HG22 VAL 5 4.942 6.138 5.299
31 HG23 VAL 5 HG23 VAL 5 4.754 4.493 5.904
32 H ASP 6 HN ASP 6 0.313 5.592 6.977
33 HA ASP 6 HA ASP 6 -0.276 7.229 9.334
34 HB2 ASP 6 HB2 ASP 6 -1.068 8.414 7.460
35 HB3 ASP 6 HB1 ASP 6 -1.565 6.938 6.642
36 H CYS 7 HN CYS 7 0.080 5.355 10.436
37 HA CYS 7 HA CYS 7 -0.007 3.187 10.992
38 HB2 CYS 7 HB2 CYS 7 -2.070 2.656 12.157
39 HB3 CYS 7 HB1 CYS 7 -1.295 4.228 12.477
40 H GLY 8 HN GLY 8 0.577 1.878 9.383
41 HA2 GLY 8 HA2 GLY 8 -1.585 0.908 7.700
42 HA3 GLY 8 HA1 GLY 8 0.160 0.831 7.378
43 H GLU 9 HN GLU 9 0.912 -0.112 9.964
44 HA GLU 9 HA GLU 9 0.514 -2.855 9.529
45 HB2 GLU 9 HB2 GLU 9 1.669 -1.236 11.658
46 HB3 GLU 9 HB1 GLU 9 2.132 -2.958 11.336
47 HG2 GLU 9 HG2 GLU 9 3.907 -1.922 10.326
48 HG3 GLU 9 HG1 GLU 9 2.757 -1.530 9.044
49 H PHE 10 HN PHE 10 -0.314 -0.371 11.864
50 HA PHE 10 HA PHE 10 -1.902 -0.003 13.250
51 HB2 PHE 10 HB2 PHE 10 -3.083 -0.541 11.191
52 HB3 PHE 10 HB1 PHE 10 -3.229 -2.190 11.776
53 HD1 PHE 10 HD1 PHE 10 -4.358 1.291 12.354
54 HD2 PHE 10 HD2 PHE 10 -5.092 -2.832 13.103
55 HE1 PHE 10 HE1 PHE 10 -6.585 1.850 13.228
56 HE2 PHE 10 HE2 PHE 10 -7.316 -2.281 13.989
57 HZ PHE 10 HZ PHE 10 -8.069 0.063 14.046
58 H GLN 11 HN GLN 11 -0.511 -2.773 13.393
59 HA GLN 11 HA GLN 11 -1.455 -3.340 16.090
60 HB2 GLN 11 HB2 GLN 11 -0.360 -4.997 14.032
61 HB3 GLN 11 HB1 GLN 11 -0.969 -5.731 15.558
62 HG2 GLN 11 HG2 GLN 11 -3.182 -4.676 14.816
63 HG3 GLN 11 HG1 GLN 11 -2.275 -4.350 13.322
64 HE21 GLN 11 HE21 GLN 11 -3.643 -6.862 15.335
65 HE22 GLN 11 HE22 GLN 11 -3.629 -8.109 14.126
66 H ASP 12 HN ASP 12 0.891 -2.281 14.373
67 HA ASP 12 HA ASP 12 3.293 -3.732 15.350
68 HB2 ASP 12 HB2 ASP 12 2.956 -2.799 13.055
69 HB3 ASP 12 HB1 ASP 12 3.033 -1.193 13.703
70 H THR 13 HN THR 13 4.677 -1.499 15.497
71 HA THR 13 HA THR 13 3.872 -0.315 18.063
72 HB THR 13 HB THR 13 5.225 -2.297 18.555
73 HG1 THR 13 HG1 THR 13 6.970 -0.538 19.608
74 HG21 THR 13 HG21 THR 13 7.526 -0.767 17.318
75 HG22 THR 13 HG22 THR 13 6.827 -2.270 16.718
76 HG23 THR 13 HG23 THR 13 7.692 -2.253 18.255
77 H LYS 14 HN LYS 14 6.122 -0.138 15.374
78 HA LYS 14 HA LYS 14 7.281 2.404 16.079
79 HB2 LYS 14 HB2 LYS 14 8.600 2.043 14.130
80 HB3 LYS 14 HB1 LYS 14 8.230 0.455 14.829
81 HG2 LYS 14 HG2 LYS 14 6.377 0.208 13.205
82 HG3 LYS 14 HG1 LYS 14 6.939 1.675 12.409
83 HD2 LYS 14 HD2 LYS 14 9.107 0.604 12.000
84 HD3 LYS 14 HD1 LYS 14 8.520 -0.865 12.784
85 HE2 LYS 14 HE2 LYS 14 7.491 0.396 10.244
86 HE3 LYS 14 HE1 LYS 14 8.323 -1.147 10.408
87 HZ1 LYS 14 HZ1 LYS 14 6.005 -1.614 10.195
88 HZ2 LYS 14 HZ2 LYS 14 5.587 -0.421 11.235
89 HZ3 LYS 14 HZ3 LYS 14 6.270 -1.825 11.853
90 H VAL 15 HN VAL 15 4.375 1.608 15.063
91 HA VAL 15 HA VAL 15 3.694 2.929 12.791
92 HB VAL 15 HB VAL 15 1.926 2.470 15.187
93 HG11 VAL 15 HG11 VAL 15 0.923 4.012 13.640
94 HG12 VAL 15 HG12 VAL 15 0.139 2.429 13.464
95 HG13 VAL 15 HG13 VAL 15 1.361 2.959 12.304
96 HG21 VAL 15 HG21 VAL 15 1.262 0.457 13.897
97 HG22 VAL 15 HG22 VAL 15 2.894 0.470 14.564
98 HG23 VAL 15 HG23 VAL 15 2.646 0.774 12.837
99 H TYR 16 HN TYR 16 3.885 4.802 12.301
100 HA TYR 16 HA TYR 16 3.860 7.057 14.011
101 HB2 TYR 16 HB2 TYR 16 3.838 6.844 10.991
102 HB3 TYR 16 HB1 TYR 16 4.043 8.342 11.892
103 HD1 TYR 16 HD2 TYR 16 6.128 8.806 13.077
104 HD2 TYR 16 HD1 TYR 16 5.638 5.208 10.865
105 HE1 TYR 16 HE2 TYR 16 8.556 8.416 13.176
106 HE2 TYR 16 HE1 TYR 16 8.059 4.811 10.955
107 HH TYR 16 HH TYR 16 10.114 6.508 13.024
108 H CYS 17 HN CYS 17 2.405 8.897 13.073
109 HA CYS 17 HA CYS 17 -0.241 7.771 13.613
110 HB2 CYS 17 HB2 CYS 17 -0.729 9.697 14.855
111 HB3 CYS 17 HB1 CYS 17 0.935 9.305 15.189
112 H THR 18 HN THR 18 -1.966 9.439 13.004
113 HA THR 18 HA THR 18 -2.274 9.071 10.244
114 HB THR 18 HB THR 18 -4.395 10.032 10.515
115 HG1 THR 18 HG1 THR 18 -3.315 11.498 12.301
116 HG21 THR 18 HG21 THR 18 -3.765 7.764 11.515
117 HG22 THR 18 HG22 THR 18 -5.317 8.590 11.774
118 HG23 THR 18 HG23 THR 18 -4.076 8.675 13.062
119 H ARG 19 HN ARG 19 -3.294 10.562 9.120
120 HA ARG 19 HA ARG 19 -1.997 13.146 8.813
121 HB2 ARG 19 HB2 ARG 19 -3.177 13.251 6.727
122 HB3 ARG 19 HB1 ARG 19 -2.636 11.591 6.923
123 HG2 ARG 19 HG2 ARG 19 -4.992 11.197 7.938
124 HG3 ARG 19 HG1 ARG 19 -5.408 12.703 7.125
125 HD2 ARG 19 HD2 ARG 19 -5.976 11.055 5.579
126 HD3 ARG 19 HD1 ARG 19 -4.389 11.604 5.035
127 HE ARG 19 HE ARG 19 -4.272 9.398 6.856
128 HH11 ARG 19 HH11 ARG 19 -4.356 10.297 3.453
129 HH12 ARG 19 HH12 ARG 19 -4.082 8.712 2.868
130 HH21 ARG 19 HH21 ARG 19 -3.949 7.251 6.089
131 HH22 ARG 19 HH22 ARG 19 -3.805 6.911 4.414
132 H GLU 20 HN GLU 20 -4.505 11.984 10.671
133 HA GLU 20 HA GLU 20 -6.206 14.357 10.438
134 HB2 GLU 20 HB2 GLU 20 -6.556 11.688 11.652
135 HB3 GLU 20 HB1 GLU 20 -7.669 12.997 12.056
136 HG2 GLU 20 HG2 GLU 20 -8.240 13.085 9.636
137 HG3 GLU 20 HG1 GLU 20 -7.177 11.693 9.384
138 H SER 21 HN SER 21 -6.579 15.739 12.024
139 HA SER 21 HA SER 21 -5.046 15.624 14.551
140 HB2 SER 21 HB2 SER 21 -4.844 17.516 12.871
141 HB3 SER 21 HB1 SER 21 -6.566 17.754 13.268
142 HG SER 21 HG SER 21 -6.025 18.263 15.367
143 H ASN 22 HN ASN 22 -7.418 14.502 13.664
144 HA ASN 22 HA ASN 22 -9.914 15.580 14.737
145 HB2 ASN 22 HB2 ASN 22 -9.622 14.071 12.727
146 HB3 ASN 22 HB1 ASN 22 -9.348 12.762 13.860
147 HD21 ASN 22 HD21 ASN 22 -11.276 12.713 11.938
148 HD22 ASN 22 HD22 ASN 22 -12.845 12.774 12.677
149 HA PRO 23 HA PRO 23 -8.917 13.704 18.897
150 HB2 PRO 23 HB2 PRO 23 -11.022 14.808 20.224
151 HB3 PRO 23 HB1 PRO 23 -9.538 15.716 19.884
152 HG2 PRO 23 HG2 PRO 23 -12.127 15.796 18.421
153 HG3 PRO 23 HG1 PRO 23 -11.047 17.128 18.879
154 HD2 PRO 23 HD2 PRO 23 -11.086 16.139 16.385
155 HD3 PRO 23 HD1 PRO 23 -9.598 16.753 17.133
156 H HIS 24 HN HIS 24 -9.938 11.954 20.195
157 HA HIS 24 HA HIS 24 -12.444 10.652 19.328
158 HB2 HIS 24 HB2 HIS 24 -9.665 9.644 18.642
159 HB3 HIS 24 HB1 HIS 24 -11.050 8.620 18.983
160 HD1 HIS 24 HD1 HIS 24 -11.529 11.648 16.725
161 HD2 HIS 24 HD2 HIS 24 -11.015 7.541 16.429
162 HE1 HIS 24 HE1 HIS 24 -12.093 11.045 14.367
163 H CYS 25 HN CYS 25 -13.240 9.890 20.819
164 HA CYS 25 HA CYS 25 -11.762 9.149 23.229
165 HB2 CYS 25 HB2 CYS 25 -13.851 10.583 23.473
166 HB3 CYS 25 HB1 CYS 25 -14.733 9.222 22.748
167 H GLY 26 HN GLY 26 -11.104 7.083 23.091
168 HA2 GLY 26 HA2 GLY 26 -12.218 5.406 21.115
169 HA3 GLY 26 HA1 GLY 26 -10.925 5.035 22.255
170 H SER 27 HN SER 27 -13.126 3.571 21.412
171 HA SER 27 HA SER 27 -15.161 3.346 23.263
172 HB2 SER 27 HB2 SER 27 -15.338 0.936 22.469
173 HB3 SER 27 HB1 SER 27 -15.309 2.152 21.188
174 HG SER 27 HG SER 27 -13.617 0.119 21.608
175 H ASP 28 HN ASP 28 -11.889 2.375 23.305
176 HA ASP 28 HA ASP 28 -11.747 0.562 25.545
177 HB2 ASP 28 HB2 ASP 28 -10.241 0.833 23.461
178 HB3 ASP 28 HB1 ASP 28 -9.553 2.198 24.329
179 H GLY 29 HN GLY 29 -12.574 3.581 25.384
180 HA2 GLY 29 HA2 GLY 29 -13.134 4.817 27.333
181 HA3 GLY 29 HA1 GLY 29 -11.827 3.954 28.164
182 H GLN 30 HN GLN 30 -10.120 4.230 26.004
183 HA GLN 30 HA GLN 30 -8.920 6.529 27.010
184 HB2 GLN 30 HB2 GLN 30 -7.984 4.618 24.968
185 HB3 GLN 30 HB1 GLN 30 -7.059 6.028 25.524
186 HG2 GLN 30 HG2 GLN 30 -7.366 5.438 27.667
187 HG3 GLN 30 HG1 GLN 30 -8.279 3.970 27.166
188 HE21 GLN 30 HE21 GLN 30 -7.043 2.162 26.229
189 HE22 GLN 30 HE22 GLN 30 -5.330 2.138 26.311
190 H THR 31 HN THR 31 -8.608 8.250 26.357
191 HA THR 31 HA THR 31 -9.725 9.057 23.737
192 HB THR 31 HB THR 31 -9.365 10.824 26.161
193 HG1 THR 31 HG1 THR 31 -11.164 9.207 26.056
194 HG21 THR 31 HG21 THR 31 -10.575 11.506 23.417
195 HG22 THR 31 HG22 THR 31 -9.065 12.096 24.054
196 HG23 THR 31 HG23 THR 31 -10.584 12.526 24.852
197 H TYR 32 HN TYR 32 -8.446 9.933 22.337
198 HA TYR 32 HA TYR 32 -5.872 10.810 23.302
199 HB2 TYR 32 HB2 TYR 32 -6.485 9.352 20.727
200 HB3 TYR 32 HB1 TYR 32 -4.922 10.066 21.124
201 HD1 TYR 32 HD2 TYR 32 -3.666 9.180 23.154
202 HD2 TYR 32 HD1 TYR 32 -7.058 7.188 21.535
203 HE1 TYR 32 HE2 TYR 32 -3.036 7.119 24.351
204 HE2 TYR 32 HE1 TYR 32 -6.444 5.150 22.721
205 HH TYR 32 HH TYR 32 -4.246 5.006 25.207
206 H GLY 33 HN GLY 33 -5.077 12.564 22.391
207 HA2 GLY 33 HA2 GLY 33 -6.835 14.705 22.077
208 HA3 GLY 33 HA1 GLY 33 -5.130 14.768 21.678
209 H ASN 34 HN ASN 34 -5.364 12.745 19.602
210 HA ASN 34 HA ASN 34 -7.257 13.701 17.745
211 HB2 ASN 34 HB2 ASN 34 -5.627 14.322 15.989
212 HB3 ASN 34 HB1 ASN 34 -5.657 15.442 17.329
213 HD21 ASN 34 HD21 ASN 34 -3.586 16.209 16.801
214 HD22 ASN 34 HD22 ASN 34 -2.170 15.284 17.140
215 H LYS 35 HN LYS 35 -6.750 12.636 15.592
216 HA LYS 35 HA LYS 35 -6.949 9.908 16.062
217 HB2 LYS 35 HB2 LYS 35 -8.037 11.260 14.278
218 HB3 LYS 35 HB1 LYS 35 -6.459 11.338 13.517
219 HG2 LYS 35 HG2 LYS 35 -7.806 9.729 12.358
220 HG3 LYS 35 HG1 LYS 35 -6.535 8.890 13.253
221 HD2 LYS 35 HD2 LYS 35 -7.980 7.992 14.759
222 HD3 LYS 35 HD1 LYS 35 -9.171 9.279 14.553
223 HE2 LYS 35 HE2 LYS 35 -8.532 7.183 12.479
224 HE3 LYS 35 HE1 LYS 35 -9.899 7.112 13.593
225 HZ1 LYS 35 HZ1 LYS 35 -10.617 8.040 11.460
226 HZ2 LYS 35 HZ2 LYS 35 -9.430 9.201 11.503
227 HZ3 LYS 35 HZ3 LYS 35 -10.669 9.263 12.623
228 H CYS 36 HN CYS 36 -4.607 11.749 14.907
229 HA CYS 36 HA CYS 36 -2.561 10.112 14.289
230 HB2 CYS 36 HB2 CYS 36 -2.196 12.466 14.006
231 HB3 CYS 36 HB1 CYS 36 -2.655 12.744 15.677
232 H ALA 37 HN ALA 37 -3.353 11.237 17.426
233 HA ALA 37 HA ALA 37 -1.412 9.698 18.856
234 HB1 ALA 37 HB1 ALA 37 -2.811 10.447 20.837
235 HB2 ALA 37 HB2 ALA 37 -3.920 11.128 19.622
236 HB3 ALA 37 HB3 ALA 37 -2.294 11.749 19.749
237 H PHE 38 HN PHE 38 -4.737 9.443 18.034
238 HA PHE 38 HA PHE 38 -5.460 7.187 19.591
239 HB2 PHE 38 HB2 PHE 38 -7.053 8.938 18.798
240 HB3 PHE 38 HB1 PHE 38 -6.744 8.394 17.166
241 HD1 PHE 38 HD2 PHE 38 -8.411 7.583 20.316
242 HD2 PHE 38 HD1 PHE 38 -7.825 6.473 16.260
243 HE1 PHE 38 HE2 PHE 38 -10.327 6.080 20.456
244 HE2 PHE 38 HE1 PHE 38 -9.772 4.976 16.387
245 HZ PHE 38 HZ PHE 38 -11.022 4.773 18.489
246 H CYS 39 HN CYS 39 -4.522 7.391 16.114
247 HA CYS 39 HA CYS 39 -5.307 4.616 15.842
248 HB2 CYS 39 HB2 CYS 39 -5.375 6.328 13.984
249 HB3 CYS 39 HB1 CYS 39 -3.629 6.205 13.932
250 H LYS 40 HN LYS 40 -2.223 6.067 16.635
251 HA LYS 40 HA LYS 40 -1.153 3.535 16.067
252 HB2 LYS 40 HB2 LYS 40 0.961 4.680 16.484
253 HB3 LYS 40 HB1 LYS 40 -0.131 5.450 15.296
254 HG2 LYS 40 HG2 LYS 40 0.886 7.229 16.557
255 HG3 LYS 40 HG1 LYS 40 -0.821 7.037 16.990
256 HD2 LYS 40 HD2 LYS 40 0.247 7.393 18.986
257 HD3 LYS 40 HD1 LYS 40 -0.148 5.679 18.824
258 HE2 LYS 40 HE2 LYS 40 2.632 6.923 18.410
259 HE3 LYS 40 HE1 LYS 40 2.160 6.010 19.830
260 HZ1 LYS 40 HZ1 LYS 40 1.870 4.047 18.306
261 HZ2 LYS 40 HZ2 LYS 40 3.457 4.611 18.426
262 HZ3 LYS 40 HZ3 LYS 40 2.577 4.963 17.057
263 H ALA 41 HN ALA 41 -2.610 5.058 18.363
264 HA ALA 41 HA ALA 41 -1.585 3.594 20.622
265 HB1 ALA 41 HB1 ALA 41 -3.461 4.379 21.676
266 HB2 ALA 41 HB2 ALA 41 -4.017 4.901 20.042
267 HB3 ALA 41 HB3 ALA 41 -2.609 5.735 20.815
268 H ILE 42 HN ILE 42 -4.249 3.292 18.153
269 HA ILE 42 HA ILE 42 -5.758 1.304 19.474
270 HB ILE 42 HB ILE 42 -5.054 1.945 16.636
271 HG12 ILE 42 HG12 ILE 42 -7.616 2.354 18.082
272 HG13 ILE 42 HG11 ILE 42 -6.238 3.492 18.000
273 HG21 ILE 42 HG21 ILE 42 -6.945 0.468 15.988
274 HG22 ILE 42 HG22 ILE 42 -7.093 -0.045 17.685
275 HG23 ILE 42 HG23 ILE 42 -5.604 -0.366 16.775
276 HD11 ILE 42 HD11 ILE 42 -6.237 3.165 15.725
277 HD12 ILE 42 HD12 ILE 42 -7.609 4.144 16.294
278 HD13 ILE 42 HD13 ILE 42 -7.860 2.448 15.712
279 H VAL 43 HN VAL 43 -3.294 1.396 17.367
280 HA VAL 43 HA VAL 43 -2.292 -1.167 16.972
281 HB VAL 43 HB VAL 43 -0.778 1.356 17.450
282 HG11 VAL 43 HG11 VAL 43 -0.192 -1.137 15.899
283 HG12 VAL 43 HG12 VAL 43 0.674 -0.527 17.313
284 HG13 VAL 43 HG13 VAL 43 0.774 0.341 15.777
285 HG21 VAL 43 HG21 VAL 43 -2.443 1.852 15.960
286 HG22 VAL 43 HG22 VAL 43 -2.217 0.352 15.068
287 HG23 VAL 43 HG23 VAL 43 -0.984 1.632 14.961
288 H LYS 44 HN LYS 44 -1.926 0.979 19.741
289 HA LYS 44 HA LYS 44 -0.014 -0.780 20.957
290 HB2 LYS 44 HB2 LYS 44 -1.171 1.776 21.581
291 HB3 LYS 44 HB1 LYS 44 -0.259 0.946 22.848
292 HG2 LYS 44 HG2 LYS 44 0.813 1.680 20.109
293 HG3 LYS 44 HG1 LYS 44 1.132 2.599 21.576
294 HD2 LYS 44 HD2 LYS 44 2.984 1.318 21.789
295 HD3 LYS 44 HD1 LYS 44 1.890 0.045 22.299
296 HE2 LYS 44 HE2 LYS 44 2.665 0.479 19.421
297 HE3 LYS 44 HE1 LYS 44 3.633 -0.517 20.495
298 HZ1 LYS 44 HZ1 LYS 44 0.804 -1.083 19.616
299 HZ2 LYS 44 HZ2 LYS 44 1.666 -2.024 20.709
300 HZ3 LYS 44 HZ3 LYS 44 2.193 -1.846 19.130
301 H SER 45 HN SER 45 -3.213 0.217 21.531
302 HA SER 45 HA SER 45 -3.451 -1.311 23.942
303 HB2 SER 45 HB2 SER 45 -4.824 0.700 23.605
304 HB3 SER 45 HB1 SER 45 -5.639 -0.077 22.252
305 HG SER 45 HG SER 45 -6.616 -0.083 24.556
306 H GLY 46 HN GLY 46 -3.607 -2.190 20.603
307 HA2 GLY 46 HA2 GLY 46 -3.348 -4.348 20.210
308 HA3 GLY 46 HA1 GLY 46 -4.589 -4.732 21.486
309 H GLY 47 HN GLY 47 -5.100 -2.222 19.255
310 HA2 GLY 47 HA2 GLY 47 -6.565 -2.104 17.464
311 HA3 GLY 47 HA1 GLY 47 -6.650 -3.866 17.456
312 H LYS 48 HN LYS 48 -7.126 -3.262 20.549
313 HA LYS 48 HA LYS 48 -9.825 -3.797 20.631
314 HB2 LYS 48 HB2 LYS 48 -7.934 -2.633 22.579
315 HB3 LYS 48 HB1 LYS 48 -9.611 -2.934 23.011
316 HG2 LYS 48 HG2 LYS 48 -9.367 -5.190 22.995
317 HG3 LYS 48 HG1 LYS 48 -8.127 -5.151 21.748
318 HD2 LYS 48 HD2 LYS 48 -7.159 -5.901 23.833
319 HD3 LYS 48 HD1 LYS 48 -6.553 -4.328 23.309
320 HE2 LYS 48 HE2 LYS 48 -8.748 -4.539 25.381
321 HE3 LYS 48 HE1 LYS 48 -7.065 -4.700 25.851
322 HZ1 LYS 48 HZ1 LYS 48 -7.634 -2.426 26.187
323 HZ2 LYS 48 HZ2 LYS 48 -8.474 -2.271 24.836
324 HZ3 LYS 48 HZ3 LYS 48 -6.796 -2.360 24.738
325 H ILE 49 HN ILE 49 -8.283 -0.729 20.272
326 HA ILE 49 HA ILE 49 -10.625 0.614 21.251
327 HB ILE 49 HB ILE 49 -8.447 1.860 19.721
328 HG12 ILE 49 HG12 ILE 49 -8.490 1.376 22.681
329 HG13 ILE 49 HG11 ILE 49 -7.539 0.439 21.532
330 HG21 ILE 49 HG21 ILE 49 -10.525 3.168 20.315
331 HG22 ILE 49 HG22 ILE 49 -9.099 3.841 21.107
332 HG23 ILE 49 HG23 ILE 49 -10.225 2.826 22.008
333 HD11 ILE 49 HD11 ILE 49 -6.210 2.109 22.641
334 HD12 ILE 49 HD12 ILE 49 -7.295 3.380 22.004
335 HD13 ILE 49 HD13 ILE 49 -6.364 2.342 20.900
336 H SER 50 HN SER 50 -12.141 1.273 20.206
337 HA SER 50 HA SER 50 -12.153 1.905 17.331
338 HB2 SER 50 HB2 SER 50 -14.433 0.759 18.977
339 HB3 SER 50 HB1 SER 50 -14.461 1.190 17.262
340 HG SER 50 HG SER 50 -12.453 -0.549 17.844
341 H LEU 51 HN LEU 51 -14.262 3.667 17.181
342 HA LEU 51 HA LEU 51 -13.586 5.304 19.197
343 HB2 LEU 51 HB2 LEU 51 -13.476 5.758 16.882
344 HB3 LEU 51 HB1 LEU 51 -15.226 5.566 16.810
345 HG LEU 51 HG LEU 51 -15.451 7.163 18.545
346 HD11 LEU 51 HD11 LEU 51 -13.281 8.604 18.804
347 HD12 LEU 51 HD12 LEU 51 -12.577 7.021 18.216
348 HD13 LEU 51 HD13 LEU 51 -13.535 7.064 19.657
349 HD21 LEU 51 HD21 LEU 51 -15.193 8.935 17.257
350 HD22 LEU 51 HD22 LEU 51 -15.550 7.437 16.248
351 HD23 LEU 51 HD23 LEU 51 -13.902 8.140 16.263
352 H LYS 52 HN LYS 52 -14.966 6.119 20.696
353 HA LYS 52 HA LYS 52 -17.794 5.402 20.709
354 HB2 LYS 52 HB2 LYS 52 -16.502 7.529 22.316
355 HB3 LYS 52 HB1 LYS 52 -18.023 6.725 22.654
356 HG2 LYS 52 HG2 LYS 52 -16.696 4.709 23.194
357 HG3 LYS 52 HG1 LYS 52 -15.291 5.787 22.838
358 HD2 LYS 52 HD2 LYS 52 -15.951 7.335 24.558
359 HD3 LYS 52 HD1 LYS 52 -17.392 6.397 24.915
360 HE2 LYS 52 HE2 LYS 52 -16.122 4.675 25.915
361 HE3 LYS 52 HE1 LYS 52 -14.611 5.317 25.264
362 HZ1 LYS 52 HZ1 LYS 52 -14.904 7.278 26.609
363 HZ2 LYS 52 HZ2 LYS 52 -14.823 5.908 27.590
364 HZ3 LYS 52 HZ3 LYS 52 -16.317 6.667 27.295
365 H HIS 53 HN HIS 53 -15.772 8.091 20.529
366 HA HIS 53 HA HIS 53 -17.788 9.637 19.044
367 HB2 HIS 53 HB2 HIS 53 -18.566 9.774 21.362
368 HB3 HIS 53 HB1 HIS 53 -16.999 10.362 21.876
369 HD1 HIS 53 HD1 HIS 53 -16.859 12.868 22.101
370 HD2 HIS 53 HD2 HIS 53 -19.913 11.662 19.551
371 HE1 HIS 53 HE1 HIS 53 -18.113 14.955 21.470
372 HA PRO 54 HA PRO 54 -13.965 11.799 17.886
373 HB2 PRO 54 HB2 PRO 54 -15.715 13.810 16.651
374 HB3 PRO 54 HB1 PRO 54 -14.571 12.714 15.849
375 HG2 PRO 54 HG2 PRO 54 -17.218 12.448 15.557
376 HG3 PRO 54 HG1 PRO 54 -16.106 11.063 15.554
377 HD2 PRO 54 HD2 PRO 54 -17.880 12.034 17.752
378 HD3 PRO 54 HD1 PRO 54 -17.512 10.376 17.221
379 H GLY 55 HN GLY 55 -13.158 12.805 19.548
380 HA2 GLY 55 HA2 GLY 55 -12.938 15.034 20.662
381 HA3 GLY 55 HA1 GLY 55 -14.686 14.948 20.867
382 H LYS 56 HN LYS 56 -12.775 15.177 23.025
383 HA LYS 56 HA LYS 56 -12.237 12.920 24.363
384 HB2 LYS 56 HB2 LYS 56 -13.110 15.584 25.225
385 HB3 LYS 56 HB1 LYS 56 -12.707 14.338 26.393
386 HG2 LYS 56 HG2 LYS 56 -10.451 14.305 25.315
387 HG3 LYS 56 HG1 LYS 56 -11.009 15.727 24.399
388 HD2 LYS 56 HD2 LYS 56 -9.794 16.527 26.346
389 HD3 LYS 56 HD1 LYS 56 -11.503 16.835 26.601
390 HE2 LYS 56 HE2 LYS 56 -9.958 14.500 27.811
391 HE3 LYS 56 HE1 LYS 56 -10.295 15.998 28.649
392 HZ1 LYS 56 HZ1 LYS 56 -12.811 15.309 28.370
393 HZ2 LYS 56 HZ2 LYS 56 -11.899 14.446 29.425
394 HZ3 LYS 56 HZ3 LYS 56 -12.242 13.785 28.005
395 H CYS 57 HN CYS 57 -13.063 12.034 26.065
396 HA CYS 57 HA CYS 57 -15.839 12.538 26.793
397 HB2 CYS 57 HB2 CYS 57 -13.997 10.192 27.450
398 HB3 CYS 57 HB1 CYS 57 -15.612 10.403 28.110
Start of MODEL 3
1 H GLN 1 HT1 GLN 1 1.964 8.992 11.950
2 HA GLN 1 HA GLN 1 3.011 11.111 11.453
3 HB2 GLN 1 HB2 GLN 1 3.715 9.779 8.820
4 HB3 GLN 1 HB1 GLN 1 3.983 11.468 9.226
5 HG2 GLN 1 HG2 GLN 1 5.306 9.084 10.500
6 HG3 GLN 1 HG1 GLN 1 6.050 10.239 9.394
7 HE21 GLN 1 HE21 GLN 1 6.575 12.293 10.149
8 HE22 GLN 1 HE22 GLN 1 6.604 12.645 11.843
9 H GLY 2 HN GLY 2 1.521 9.047 8.909
10 HA2 GLY 2 HA2 GLY 2 -0.917 9.238 8.779
11 HA3 GLY 2 HA1 GLY 2 -0.708 10.968 8.986
12 H GLY 3 HN GLY 3 -1.863 9.161 6.874
13 HA2 GLY 3 HA2 GLY 3 -2.227 10.166 4.661
14 HA3 GLY 3 HA1 GLY 3 -0.474 10.367 4.566
15 H GLN 4 HN GLN 4 0.802 8.436 4.792
16 HA GLN 4 HA GLN 4 -0.100 6.181 3.293
17 HB2 GLN 4 HB2 GLN 4 2.139 5.288 3.824
18 HB3 GLN 4 HB1 GLN 4 2.170 6.951 3.235
19 HG2 GLN 4 HG2 GLN 4 2.263 6.409 6.162
20 HG3 GLN 4 HG1 GLN 4 3.736 6.316 5.190
21 HE21 GLN 4 HE21 GLN 4 2.956 8.201 7.344
22 HE22 GLN 4 HE22 GLN 4 3.041 9.758 6.589
23 H VAL 5 HN VAL 5 0.676 4.053 4.410
24 HA VAL 5 HA VAL 5 -1.485 3.350 6.140
25 HB VAL 5 HB VAL 5 -0.154 1.933 4.412
26 HG11 VAL 5 HG11 VAL 5 1.622 0.505 5.480
27 HG12 VAL 5 HG12 VAL 5 1.488 1.619 6.881
28 HG13 VAL 5 HG13 VAL 5 1.997 2.242 5.309
29 HG21 VAL 5 HG21 VAL 5 -1.019 0.765 7.063
30 HG22 VAL 5 HG22 VAL 5 -0.748 -0.169 5.591
31 HG23 VAL 5 HG23 VAL 5 -2.041 1.029 5.649
32 H ASP 6 HN ASP 6 1.032 5.061 6.999
33 HA ASP 6 HA ASP 6 2.142 3.391 9.002
34 HB2 ASP 6 HB2 ASP 6 3.933 4.732 9.051
35 HB3 ASP 6 HB1 ASP 6 3.247 5.509 7.643
36 H CYS 7 HN CYS 7 0.840 2.895 10.348
37 HA CYS 7 HA CYS 7 -0.538 4.690 12.255
38 HB2 CYS 7 HB2 CYS 7 -1.110 2.258 11.886
39 HB3 CYS 7 HB1 CYS 7 0.405 1.938 12.728
40 H GLY 8 HN GLY 8 2.603 4.737 11.721
41 HA2 GLY 8 HA2 GLY 8 4.251 5.584 13.033
42 HA3 GLY 8 HA1 GLY 8 3.106 5.591 14.389
43 H GLU 9 HN GLU 9 2.437 3.412 15.166
44 HA GLU 9 HA GLU 9 4.817 1.847 15.386
45 HB2 GLU 9 HB2 GLU 9 2.349 2.139 16.871
46 HB3 GLU 9 HB1 GLU 9 3.434 0.766 17.280
47 HG2 GLU 9 HG2 GLU 9 5.198 2.665 17.557
48 HG3 GLU 9 HG1 GLU 9 3.801 3.740 17.625
49 H PHE 10 HN PHE 10 1.498 1.593 14.119
50 HA PHE 10 HA PHE 10 0.653 0.149 12.582
51 HB2 PHE 10 HB2 PHE 10 2.614 0.950 11.551
52 HB3 PHE 10 HB1 PHE 10 3.514 -0.431 12.200
53 HD1 PHE 10 HD2 PHE 10 1.032 0.658 9.714
54 HD2 PHE 10 HD1 PHE 10 3.299 -2.635 11.162
55 HE1 PHE 10 HE2 PHE 10 0.465 -0.624 7.698
56 HE2 PHE 10 HE1 PHE 10 2.739 -3.917 9.147
57 HZ PHE 10 HZ PHE 10 1.319 -2.911 7.413
58 H GLN 11 HN GLN 11 -0.222 -0.798 14.229
59 HA GLN 11 HA GLN 11 0.138 -3.379 15.076
60 HB2 GLN 11 HB2 GLN 11 -2.172 -1.904 14.124
61 HB3 GLN 11 HB1 GLN 11 -2.406 -3.638 14.381
62 HG2 GLN 11 HG2 GLN 11 -1.253 -1.727 16.212
63 HG3 GLN 11 HG1 GLN 11 -2.997 -2.100 16.254
64 HE21 GLN 11 HE21 GLN 11 -2.325 -4.989 15.575
65 HE22 GLN 11 HE22 GLN 11 -1.765 -5.668 17.055
66 H ASP 12 HN ASP 12 -1.563 -2.550 12.311
67 HA ASP 12 HA ASP 12 -0.660 -4.727 10.663
68 HB2 ASP 12 HB2 ASP 12 -2.545 -5.536 12.009
69 HB3 ASP 12 HB1 ASP 12 -3.382 -4.050 11.540
70 H THR 13 HN THR 13 -1.831 -4.384 8.730
71 HA THR 13 HA THR 13 -1.260 -1.972 7.414
72 HB THR 13 HB THR 13 -2.532 -3.142 5.564
73 HG1 THR 13 HG1 THR 13 -2.433 -5.285 7.467
74 HG21 THR 13 HG21 THR 13 -0.087 -3.144 5.699
75 HG22 THR 13 HG22 THR 13 -0.665 -4.723 5.167
76 HG23 THR 13 HG23 THR 13 -0.144 -4.492 6.836
77 H LYS 14 HN LYS 14 -4.208 -2.980 9.077
78 HA LYS 14 HA LYS 14 -5.941 -1.325 7.468
79 HB2 LYS 14 HB2 LYS 14 -6.277 -2.617 10.078
80 HB3 LYS 14 HB1 LYS 14 -7.651 -2.177 9.017
81 HG2 LYS 14 HG2 LYS 14 -5.650 -4.409 8.956
82 HG3 LYS 14 HG1 LYS 14 -7.400 -4.547 9.056
83 HD2 LYS 14 HD2 LYS 14 -7.589 -3.883 6.723
84 HD3 LYS 14 HD1 LYS 14 -5.841 -3.610 6.643
85 HE2 LYS 14 HE2 LYS 14 -7.212 -6.248 7.190
86 HE3 LYS 14 HE1 LYS 14 -6.395 -5.791 5.696
87 HZ1 LYS 14 HZ1 LYS 14 -4.949 -7.186 7.137
88 HZ2 LYS 14 HZ2 LYS 14 -5.040 -6.047 8.365
89 HZ3 LYS 14 HZ3 LYS 14 -4.295 -5.650 6.939
90 H VAL 15 HN VAL 15 -3.833 -1.160 9.956
91 HA VAL 15 HA VAL 15 -5.183 0.991 11.391
92 HB VAL 15 HB VAL 15 -2.749 -0.504 12.318
93 HG11 VAL 15 HG11 VAL 15 -3.307 1.489 13.558
94 HG12 VAL 15 HG12 VAL 15 -3.576 0.061 14.558
95 HG13 VAL 15 HG13 VAL 15 -4.946 0.895 13.824
96 HG21 VAL 15 HG21 VAL 15 -5.610 -1.427 12.639
97 HG22 VAL 15 HG22 VAL 15 -4.278 -2.016 13.621
98 HG23 VAL 15 HG23 VAL 15 -4.267 -2.306 11.885
99 H TYR 16 HN TYR 16 -4.595 2.786 10.329
100 HA TYR 16 HA TYR 16 -1.757 3.470 10.038
101 HB2 TYR 16 HB2 TYR 16 -2.251 4.425 7.855
102 HB3 TYR 16 HB1 TYR 16 -2.836 2.758 7.885
103 HD1 TYR 16 HD1 TYR 16 -5.291 2.319 8.094
104 HD2 TYR 16 HD2 TYR 16 -3.750 6.232 7.444
105 HE1 TYR 16 HE1 TYR 16 -7.521 3.082 7.418
106 HE2 TYR 16 HE2 TYR 16 -5.980 7.002 6.766
107 HH TYR 16 HH TYR 16 -8.081 6.009 5.887
108 H CYS 17 HN CYS 17 -1.529 5.876 10.249
109 HA CYS 17 HA CYS 17 -3.864 7.053 11.547
110 HB2 CYS 17 HB2 CYS 17 -2.402 8.345 12.843
111 HB3 CYS 17 HB1 CYS 17 -1.774 6.685 12.798
112 H THR 18 HN THR 18 -3.655 9.479 11.519
113 HA THR 18 HA THR 18 -2.909 10.582 8.933
114 HB THR 18 HB THR 18 -5.294 10.192 8.694
115 HG1 THR 18 HG1 THR 18 -4.981 12.141 7.755
116 HG21 THR 18 HG21 THR 18 -5.943 9.980 11.022
117 HG22 THR 18 HG22 THR 18 -6.910 11.254 10.250
118 HG23 THR 18 HG23 THR 18 -5.530 11.672 11.277
119 H ARG 19 HN ARG 19 -3.150 12.710 9.062
120 HA ARG 19 HA ARG 19 -1.443 13.752 11.292
121 HB2 ARG 19 HB2 ARG 19 -2.095 15.373 8.872
122 HB3 ARG 19 HB1 ARG 19 -0.593 15.294 9.781
123 HG2 ARG 19 HG2 ARG 19 -0.045 13.172 8.761
124 HG3 ARG 19 HG1 ARG 19 -1.657 13.174 8.010
125 HD2 ARG 19 HD2 ARG 19 0.513 15.199 7.462
126 HD3 ARG 19 HD1 ARG 19 0.105 13.842 6.408
127 HE ARG 19 HE ARG 19 -2.230 15.302 6.915
128 HH11 ARG 19 HH11 ARG 19 0.753 15.639 5.064
129 HH12 ARG 19 HH12 ARG 19 0.119 16.805 3.985
130 HH21 ARG 19 HH21 ARG 19 -3.054 16.804 5.612
131 HH22 ARG 19 HH22 ARG 19 -2.233 17.536 4.289
132 H GLU 20 HN GLU 20 -4.122 14.156 9.357
133 HA GLU 20 HA GLU 20 -5.277 16.574 10.097
134 HB2 GLU 20 HB2 GLU 20 -6.391 13.999 9.077
135 HB3 GLU 20 HB1 GLU 20 -7.424 15.388 9.363
136 HG2 GLU 20 HG2 GLU 20 -6.711 15.071 6.965
137 HG3 GLU 20 HG1 GLU 20 -6.333 16.648 7.635
138 H SER 21 HN SER 21 -6.695 17.163 11.695
139 HA SER 21 HA SER 21 -6.494 15.624 14.026
140 HB2 SER 21 HB2 SER 21 -8.266 17.981 13.642
141 HB3 SER 21 HB1 SER 21 -7.599 17.188 15.103
142 HG SER 21 HG SER 21 -5.483 17.658 13.855
143 H ASN 22 HN ASN 22 -7.366 14.020 13.994
144 HA ASN 22 HA ASN 22 -10.283 13.608 13.680
145 HB2 ASN 22 HB2 ASN 22 -8.024 11.585 13.474
146 HB3 ASN 22 HB1 ASN 22 -9.704 11.121 13.672
147 HD21 ASN 22 HD21 ASN 22 -8.881 13.853 11.676
148 HD22 ASN 22 HD22 ASN 22 -9.207 13.073 10.166
149 HA PRO 23 HA PRO 23 -9.430 13.476 18.112
150 HB2 PRO 23 HB2 PRO 23 -11.815 14.394 18.968
151 HB3 PRO 23 HB1 PRO 23 -10.572 15.479 18.324
152 HG2 PRO 23 HG2 PRO 23 -13.019 14.482 16.985
153 HG3 PRO 23 HG1 PRO 23 -12.227 16.066 16.871
154 HD2 PRO 23 HD2 PRO 23 -11.979 14.059 15.000
155 HD3 PRO 23 HD1 PRO 23 -10.827 15.389 15.222
156 H HIS 24 HN HIS 24 -9.677 11.822 19.416
157 HA HIS 24 HA HIS 24 -11.939 9.876 19.320
158 HB2 HIS 24 HB2 HIS 24 -8.998 9.221 19.067
159 HB3 HIS 24 HB1 HIS 24 -10.348 8.134 19.345
160 HD1 HIS 24 HD1 HIS 24 -8.859 10.285 16.546
161 HD2 HIS 24 HD2 HIS 24 -11.482 7.113 17.086
162 HE1 HIS 24 HE1 HIS 24 -9.233 9.277 14.276
163 H CYS 25 HN CYS 25 -12.512 9.670 21.069
164 HA CYS 25 HA CYS 25 -10.620 9.754 23.305
165 HB2 CYS 25 HB2 CYS 25 -12.865 11.004 23.544
166 HB3 CYS 25 HB1 CYS 25 -13.608 9.397 23.421
167 H GLY 26 HN GLY 26 -9.706 7.850 23.479
168 HA2 GLY 26 HA2 GLY 26 -10.802 5.575 22.161
169 HA3 GLY 26 HA1 GLY 26 -9.358 5.615 23.164
170 H SER 27 HN SER 27 -11.134 3.600 23.197
171 HA SER 27 HA SER 27 -13.045 3.492 25.182
172 HB2 SER 27 HB2 SER 27 -10.998 1.321 24.635
173 HB3 SER 27 HB1 SER 27 -12.524 1.093 25.488
174 HG SER 27 HG SER 27 -13.530 1.048 23.622
175 H ASP 28 HN ASP 28 -9.606 3.748 25.480
176 HA ASP 28 HA ASP 28 -9.031 3.095 28.152
177 HB2 ASP 28 HB2 ASP 28 -7.424 3.277 26.307
178 HB3 ASP 28 HB1 ASP 28 -7.841 4.975 26.141
179 H GLY 29 HN GLY 29 -10.262 5.798 26.572
180 HA2 GLY 29 HA2 GLY 29 -11.513 7.402 27.971
181 HA3 GLY 29 HA1 GLY 29 -10.246 7.089 29.189
182 H GLN 30 HN GLN 30 -8.264 6.928 27.176
183 HA GLN 30 HA GLN 30 -7.629 9.630 27.205
184 HB2 GLN 30 HB2 GLN 30 -6.319 7.375 25.848
185 HB3 GLN 30 HB1 GLN 30 -5.782 9.051 25.628
186 HG2 GLN 30 HG2 GLN 30 -5.658 9.369 27.885
187 HG3 GLN 30 HG1 GLN 30 -6.338 7.704 28.082
188 HE21 GLN 30 HE21 GLN 30 -5.009 6.007 27.990
189 HE22 GLN 30 HE22 GLN 30 -3.306 5.991 27.726
190 H THR 31 HN THR 31 -7.673 11.118 25.990
191 HA THR 31 HA THR 31 -9.031 10.833 23.399
192 HB THR 31 HB THR 31 -8.762 13.360 25.051
193 HG1 THR 31 HG1 THR 31 -10.371 11.527 25.588
194 HG21 THR 31 HG21 THR 31 -10.328 14.315 23.320
195 HG22 THR 31 HG22 THR 31 -10.174 12.838 22.412
196 HG23 THR 31 HG23 THR 31 -8.754 13.856 22.632
197 H TYR 32 HN TYR 32 -8.058 11.266 21.655
198 HA TYR 32 HA TYR 32 -5.517 12.626 21.846
199 HB2 TYR 32 HB2 TYR 32 -6.248 10.206 20.279
200 HB3 TYR 32 HB1 TYR 32 -4.822 11.173 19.925
201 HD1 TYR 32 HD1 TYR 32 -3.284 11.649 22.035
202 HD2 TYR 32 HD2 TYR 32 -5.990 8.392 21.711
203 HE1 TYR 32 HE1 TYR 32 -1.967 10.401 23.686
204 HE2 TYR 32 HE2 TYR 32 -4.686 7.136 23.373
205 HH TYR 32 HH TYR 32 -2.575 8.338 25.401
206 H GLY 33 HN GLY 33 -5.005 13.911 20.341
207 HA2 GLY 33 HA2 GLY 33 -7.011 15.483 19.103
208 HA3 GLY 33 HA1 GLY 33 -5.288 15.695 18.872
209 H ASN 34 HN ASN 34 -4.727 13.132 17.607
210 HA ASN 34 HA ASN 34 -6.530 13.215 15.382
211 HB2 ASN 34 HB2 ASN 34 -4.725 13.125 13.701
212 HB3 ASN 34 HB1 ASN 34 -4.651 14.611 14.620
213 HD21 ASN 34 HD21 ASN 34 -2.529 14.873 13.924
214 HD22 ASN 34 HD22 ASN 34 -1.230 13.985 14.630
215 H LYS 35 HN LYS 35 -5.729 11.329 13.836
216 HA LYS 35 HA LYS 35 -6.379 9.071 15.417
217 HB2 LYS 35 HB2 LYS 35 -6.992 9.466 12.965
218 HB3 LYS 35 HB1 LYS 35 -5.295 9.030 12.698
219 HG2 LYS 35 HG2 LYS 35 -5.668 6.799 13.532
220 HG3 LYS 35 HG1 LYS 35 -7.326 7.201 13.983
221 HD2 LYS 35 HD2 LYS 35 -7.839 7.610 11.592
222 HD3 LYS 35 HD1 LYS 35 -6.200 7.105 11.179
223 HE2 LYS 35 HE2 LYS 35 -6.666 4.897 12.204
224 HE3 LYS 35 HE1 LYS 35 -8.325 5.412 12.501
225 HZ1 LYS 35 HZ1 LYS 35 -7.019 5.152 9.853
226 HZ2 LYS 35 HZ2 LYS 35 -8.606 5.688 10.092
227 HZ3 LYS 35 HZ3 LYS 35 -8.180 4.101 10.486
228 H CYS 36 HN CYS 36 -3.668 10.184 14.107
229 HA CYS 36 HA CYS 36 -1.861 7.980 14.492
230 HB2 CYS 36 HB2 CYS 36 -1.586 10.407 13.342
231 HB3 CYS 36 HB1 CYS 36 -0.745 10.636 14.877
232 H ALA 37 HN ALA 37 -2.765 10.480 16.369
233 HA ALA 37 HA ALA 37 -1.006 10.171 18.581
234 HB1 ALA 37 HB1 ALA 37 -2.787 11.546 19.784
235 HB2 ALA 37 HB2 ALA 37 -3.737 11.271 18.297
236 HB3 ALA 37 HB3 ALA 37 -2.253 12.177 18.208
237 H PHE 38 HN PHE 38 -4.155 8.877 17.856
238 HA PHE 38 HA PHE 38 -4.293 7.238 20.289
239 HB2 PHE 38 HB2 PHE 38 -6.316 8.400 19.508
240 HB3 PHE 38 HB1 PHE 38 -6.200 7.587 17.963
241 HD1 PHE 38 HD2 PHE 38 -5.994 6.289 21.468
242 HD2 PHE 38 HD1 PHE 38 -8.046 6.264 17.739
243 HE1 PHE 38 HE2 PHE 38 -7.472 4.522 22.296
244 HE2 PHE 38 HE1 PHE 38 -9.533 4.494 18.568
245 HZ PHE 38 HZ PHE 38 -9.249 3.623 20.845
246 H CYS 39 HN CYS 39 -3.459 6.840 17.025
247 HA CYS 39 HA CYS 39 -3.977 4.070 16.550
248 HB2 CYS 39 HB2 CYS 39 -3.242 6.078 14.957
249 HB3 CYS 39 HB1 CYS 39 -1.639 5.487 15.352
250 H LYS 40 HN LYS 40 -1.203 5.615 18.181
251 HA LYS 40 HA LYS 40 0.228 3.255 17.812
252 HB2 LYS 40 HB2 LYS 40 1.952 4.485 19.033
253 HB3 LYS 40 HB1 LYS 40 1.238 5.387 17.675
254 HG2 LYS 40 HG2 LYS 40 1.703 6.924 19.508
255 HG3 LYS 40 HG1 LYS 40 -0.043 6.749 19.325
256 HD2 LYS 40 HD2 LYS 40 -0.201 5.334 20.988
257 HD3 LYS 40 HD1 LYS 40 1.534 5.080 21.269
258 HE2 LYS 40 HE2 LYS 40 0.984 6.553 23.036
259 HE3 LYS 40 HE1 LYS 40 1.451 7.695 21.782
260 HZ1 LYS 40 HZ1 LYS 40 -1.313 6.912 22.527
261 HZ2 LYS 40 HZ2 LYS 40 -0.955 7.942 21.251
262 HZ3 LYS 40 HZ3 LYS 40 -0.577 8.378 22.840
263 H ALA 41 HN ALA 41 -1.845 4.493 19.846
264 HA ALA 41 HA ALA 41 -1.148 3.003 22.241
265 HB1 ALA 41 HB1 ALA 41 -3.259 3.623 22.966
266 HB2 ALA 41 HB2 ALA 41 -3.487 4.277 21.287
267 HB3 ALA 41 HB3 ALA 41 -2.284 5.049 22.398
268 H ILE 42 HN ILE 42 -3.233 2.706 19.415
269 HA ILE 42 HA ILE 42 -4.824 0.590 20.431
270 HB ILE 42 HB ILE 42 -4.064 1.678 17.729
271 HG12 ILE 42 HG12 ILE 42 -6.706 1.576 19.088
272 HG13 ILE 42 HG11 ILE 42 -5.359 2.683 19.478
273 HG21 ILE 42 HG21 ILE 42 -5.702 0.157 16.741
274 HG22 ILE 42 HG22 ILE 42 -5.961 -0.566 18.355
275 HG23 ILE 42 HG23 ILE 42 -4.363 -0.671 17.571
276 HD11 ILE 42 HD11 ILE 42 -6.314 2.440 16.682
277 HD12 ILE 42 HD12 ILE 42 -5.346 3.650 17.600
278 HD13 ILE 42 HD13 ILE 42 -7.087 3.551 17.858
279 H VAL 43 HN VAL 43 -2.130 1.046 18.583
280 HA VAL 43 HA VAL 43 -1.218 -1.562 18.176
281 HB VAL 43 HB VAL 43 0.449 0.776 18.658
282 HG11 VAL 43 HG11 VAL 43 1.928 -0.366 16.834
283 HG12 VAL 43 HG12 VAL 43 0.788 -1.700 16.843
284 HG13 VAL 43 HG13 VAL 43 1.736 -1.341 18.292
285 HG21 VAL 43 HG21 VAL 43 -0.978 0.116 16.087
286 HG22 VAL 43 HG22 VAL 43 0.257 1.367 16.281
287 HG23 VAL 43 HG23 VAL 43 -1.235 1.436 17.229
288 H LYS 44 HN LYS 44 -1.001 0.537 20.984
289 HA LYS 44 HA LYS 44 1.075 -0.896 22.213
290 HB2 LYS 44 HB2 LYS 44 -0.960 0.951 23.115
291 HB3 LYS 44 HB1 LYS 44 0.109 0.260 24.349
292 HG2 LYS 44 HG2 LYS 44 0.997 1.925 21.952
293 HG3 LYS 44 HG1 LYS 44 0.728 2.591 23.551
294 HD2 LYS 44 HD2 LYS 44 3.118 2.279 23.153
295 HD3 LYS 44 HD1 LYS 44 2.579 1.205 24.432
296 HE2 LYS 44 HE2 LYS 44 4.197 0.230 22.820
297 HE3 LYS 44 HE1 LYS 44 2.738 -0.716 22.968
298 HZ1 LYS 44 HZ1 LYS 44 3.598 1.099 20.783
299 HZ2 LYS 44 HZ2 LYS 44 2.025 0.667 20.867
300 HZ3 LYS 44 HZ3 LYS 44 3.224 -0.521 20.630
301 H SER 45 HN SER 45 -2.309 -1.077 22.371
302 HA SER 45 HA SER 45 -2.093 -3.373 24.191
303 HB2 SER 45 HB2 SER 45 -4.489 -1.720 23.521
304 HB3 SER 45 HB1 SER 45 -4.439 -3.012 24.730
305 HG SER 45 HG SER 45 -2.473 -1.568 25.409
306 H GLY 46 HN GLY 46 -1.820 -3.454 21.065
307 HA2 GLY 46 HA2 GLY 46 -1.950 -5.257 19.871
308 HA3 GLY 46 HA1 GLY 46 -3.087 -5.938 21.105
309 H GLY 47 HN GLY 47 -3.938 -3.003 19.873
310 HA2 GLY 47 HA2 GLY 47 -5.516 -2.451 18.253
311 HA3 GLY 47 HA1 GLY 47 -5.584 -4.149 17.784
312 H LYS 48 HN LYS 48 -5.673 -4.263 21.002
313 HA LYS 48 HA LYS 48 -8.371 -4.800 21.009
314 HB2 LYS 48 HB2 LYS 48 -6.520 -4.477 23.239
315 HB3 LYS 48 HB1 LYS 48 -8.181 -5.040 23.472
316 HG2 LYS 48 HG2 LYS 48 -5.850 -6.414 22.169
317 HG3 LYS 48 HG1 LYS 48 -6.955 -7.035 23.388
318 HD2 LYS 48 HD2 LYS 48 -7.583 -6.520 20.493
319 HD3 LYS 48 HD1 LYS 48 -7.261 -8.103 21.170
320 HE2 LYS 48 HE2 LYS 48 -9.630 -8.061 20.999
321 HE3 LYS 48 HE1 LYS 48 -9.335 -7.675 22.686
322 HZ1 LYS 48 HZ1 LYS 48 -11.063 -6.253 21.683
323 HZ2 LYS 48 HZ2 LYS 48 -9.965 -5.676 20.549
324 HZ3 LYS 48 HZ3 LYS 48 -9.761 -5.306 22.170
325 H ILE 49 HN ILE 49 -6.826 -1.848 21.750
326 HA ILE 49 HA ILE 49 -9.166 -0.826 23.101
327 HB ILE 49 HB ILE 49 -6.958 0.752 21.786
328 HG12 ILE 49 HG12 ILE 49 -7.155 0.003 24.680
329 HG13 ILE 49 HG11 ILE 49 -6.268 -0.963 23.504
330 HG21 ILE 49 HG21 ILE 49 -8.856 1.494 24.049
331 HG22 ILE 49 HG22 ILE 49 -9.002 2.079 22.402
332 HG23 ILE 49 HG23 ILE 49 -7.605 2.538 23.379
333 HD11 ILE 49 HD11 ILE 49 -4.902 0.865 22.987
334 HD12 ILE 49 HD12 ILE 49 -4.814 0.533 24.726
335 HD13 ILE 49 HD13 ILE 49 -5.744 1.931 24.120
336 H SER 50 HN SER 50 -10.676 0.522 22.259
337 HA SER 50 HA SER 50 -10.851 0.840 19.361
338 HB2 SER 50 HB2 SER 50 -13.077 -0.015 21.239
339 HB3 SER 50 HB1 SER 50 -13.190 0.192 19.488
340 HG SER 50 HG SER 50 -11.197 -1.418 19.888
341 H LEU 51 HN LEU 51 -12.955 2.584 19.132
342 HA LEU 51 HA LEU 51 -12.144 4.607 20.628
343 HB2 LEU 51 HB2 LEU 51 -12.634 4.548 18.304
344 HB3 LEU 51 HB1 LEU 51 -14.312 4.195 18.710
345 HG LEU 51 HG LEU 51 -14.370 6.126 20.080
346 HD11 LEU 51 HD11 LEU 51 -12.275 6.455 20.719
347 HD12 LEU 51 HD12 LEU 51 -12.404 7.764 19.496
348 HD13 LEU 51 HD13 LEU 51 -11.636 6.166 19.128
349 HD21 LEU 51 HD21 LEU 51 -13.500 6.669 17.327
350 HD22 LEU 51 HD22 LEU 51 -14.654 7.571 18.439
351 HD23 LEU 51 HD23 LEU 51 -15.005 5.889 17.860
352 H LYS 52 HN LYS 52 -13.334 5.708 22.192
353 HA LYS 52 HA LYS 52 -15.697 4.531 23.187
354 HB2 LYS 52 HB2 LYS 52 -13.887 5.186 24.722
355 HB3 LYS 52 HB1 LYS 52 -13.972 6.796 24.004
356 HG2 LYS 52 HG2 LYS 52 -16.089 6.990 24.578
357 HG3 LYS 52 HG1 LYS 52 -16.164 5.441 25.472
358 HD2 LYS 52 HD2 LYS 52 -14.633 8.002 26.157
359 HD3 LYS 52 HD1 LYS 52 -15.816 7.192 27.171
360 HE2 LYS 52 HE2 LYS 52 -13.052 6.161 26.483
361 HE3 LYS 52 HE1 LYS 52 -13.540 6.894 28.004
362 HZ1 LYS 52 HZ1 LYS 52 -14.962 5.054 28.456
363 HZ2 LYS 52 HZ2 LYS 52 -13.427 4.445 28.027
364 HZ3 LYS 52 HZ3 LYS 52 -14.696 4.400 26.916
365 H HIS 53 HN HIS 53 -14.453 7.409 21.880
366 HA HIS 53 HA HIS 53 -17.165 8.231 21.068
367 HB2 HIS 53 HB2 HIS 53 -15.456 10.053 22.794
368 HB3 HIS 53 HB1 HIS 53 -16.903 10.543 21.951
369 HD1 HIS 53 HD1 HIS 53 -16.109 10.332 25.177
370 HD2 HIS 53 HD2 HIS 53 -18.947 8.219 23.001
371 HE1 HIS 53 HE1 HIS 53 -17.845 9.583 26.833
372 HA PRO 54 HA PRO 54 -14.652 10.149 17.834
373 HB2 PRO 54 HB2 PRO 54 -17.142 11.271 16.799
374 HB3 PRO 54 HB1 PRO 54 -16.141 10.008 16.057
375 HG2 PRO 54 HG2 PRO 54 -18.617 9.528 17.030
376 HG3 PRO 54 HG1 PRO 54 -17.330 8.308 16.960
377 HD2 PRO 54 HD2 PRO 54 -18.287 9.888 19.302
378 HD3 PRO 54 HD1 PRO 54 -17.767 8.189 19.193
379 H GLY 55 HN GLY 55 -13.670 11.881 18.646
380 HA2 GLY 55 HA2 GLY 55 -13.785 14.340 19.018
381 HA3 GLY 55 HA1 GLY 55 -15.308 14.027 19.835
382 H LYS 56 HN LYS 56 -13.577 15.310 21.376
383 HA LYS 56 HA LYS 56 -11.998 13.552 22.865
384 HB2 LYS 56 HB2 LYS 56 -11.587 15.435 24.223
385 HB3 LYS 56 HB1 LYS 56 -11.777 16.050 22.561
386 HG2 LYS 56 HG2 LYS 56 -13.904 16.867 23.020
387 HG3 LYS 56 HG1 LYS 56 -14.003 16.033 24.572
388 HD2 LYS 56 HD2 LYS 56 -11.883 17.437 25.168
389 HD3 LYS 56 HD1 LYS 56 -12.412 18.470 23.840
390 HE2 LYS 56 HE2 LYS 56 -13.283 19.343 25.920
391 HE3 LYS 56 HE1 LYS 56 -14.614 18.710 24.957
392 HZ1 LYS 56 HZ1 LYS 56 -13.336 17.150 27.185
393 HZ2 LYS 56 HZ2 LYS 56 -14.679 16.712 26.378
394 HZ3 LYS 56 HZ3 LYS 56 -14.734 18.044 27.366
395 H CYS 57 HN CYS 57 -12.367 13.331 25.116
396 HA CYS 57 HA CYS 57 -15.171 13.039 25.783
397 HB2 CYS 57 HB2 CYS 57 -12.647 12.111 27.150
398 HB3 CYS 57 HB1 CYS 57 -14.168 12.175 28.039
Start of MODEL 4
1 H GLN 1 HT1 GLN 1 4.659 7.205 9.846
2 HA GLN 1 HA GLN 1 2.958 8.459 11.233
3 HB2 GLN 1 HB2 GLN 1 5.881 8.587 11.998
4 HB3 GLN 1 HB1 GLN 1 4.578 8.982 13.116
5 HG2 GLN 1 HG2 GLN 1 4.857 6.346 11.703
6 HG3 GLN 1 HG1 GLN 1 5.421 6.669 13.344
7 HE21 GLN 1 HE21 GLN 1 3.316 4.950 12.150
8 HE22 GLN 1 HE22 GLN 1 1.878 5.284 13.057
9 H GLY 2 HN GLY 2 2.473 10.443 12.275
10 HA2 GLY 2 HA2 GLY 2 2.332 12.735 12.451
11 HA3 GLY 2 HA1 GLY 2 3.949 12.832 11.760
12 H GLY 3 HN GLY 3 0.788 11.692 10.584
13 HA2 GLY 3 HA2 GLY 3 -0.441 12.938 8.912
14 HA3 GLY 3 HA1 GLY 3 1.130 13.539 8.343
15 H GLN 4 HN GLN 4 2.630 11.633 8.121
16 HA GLN 4 HA GLN 4 1.843 10.130 5.871
17 HB2 GLN 4 HB2 GLN 4 4.196 9.803 7.740
18 HB3 GLN 4 HB1 GLN 4 4.004 8.900 6.245
19 HG2 GLN 4 HG2 GLN 4 4.200 11.896 6.452
20 HG3 GLN 4 HG1 GLN 4 5.520 10.812 6.008
21 HE21 GLN 4 HE21 GLN 4 5.466 9.791 4.012
22 HE22 GLN 4 HE22 GLN 4 4.424 10.342 2.741
23 H VAL 5 HN VAL 5 0.913 8.259 5.699
24 HA VAL 5 HA VAL 5 -0.818 7.323 7.697
25 HB VAL 5 HB VAL 5 -0.076 5.891 5.151
26 HG11 VAL 5 HG11 VAL 5 -2.300 4.919 5.218
27 HG12 VAL 5 HG12 VAL 5 -2.635 5.795 6.714
28 HG13 VAL 5 HG13 VAL 5 -1.379 4.555 6.690
29 HG21 VAL 5 HG21 VAL 5 -2.145 8.044 5.560
30 HG22 VAL 5 HG22 VAL 5 -1.939 7.095 4.089
31 HG23 VAL 5 HG23 VAL 5 -0.658 8.184 4.623
32 H ASP 6 HN ASP 6 2.305 6.508 7.344
33 HA ASP 6 HA ASP 6 2.231 3.694 7.456
34 HB2 ASP 6 HB2 ASP 6 4.689 3.828 7.864
35 HB3 ASP 6 HB1 ASP 6 4.104 4.622 6.400
36 H CYS 7 HN CYS 7 0.818 3.409 9.326
37 HA CYS 7 HA CYS 7 2.454 3.104 11.790
38 HB2 CYS 7 HB2 CYS 7 -0.344 2.182 11.158
39 HB3 CYS 7 HB1 CYS 7 0.504 2.134 12.717
40 H GLY 8 HN GLY 8 4.108 2.275 10.903
41 HA2 GLY 8 HA2 GLY 8 4.145 -0.147 9.516
42 HA3 GLY 8 HA1 GLY 8 5.504 0.568 10.367
43 H GLU 9 HN GLU 9 3.715 0.393 12.917
44 HA GLU 9 HA GLU 9 4.604 -2.117 13.724
45 HB2 GLU 9 HB2 GLU 9 2.727 -0.085 14.702
46 HB3 GLU 9 HB1 GLU 9 3.001 -1.583 15.647
47 HG2 GLU 9 HG2 GLU 9 5.444 -0.886 15.657
48 HG3 GLU 9 HG1 GLU 9 4.933 0.643 14.949
49 H PHE 10 HN PHE 10 1.483 -0.786 12.837
50 HA PHE 10 HA PHE 10 -0.487 -1.700 11.891
51 HB2 PHE 10 HB2 PHE 10 1.541 -1.966 10.340
52 HB3 PHE 10 HB1 PHE 10 1.310 -3.638 10.934
53 HD1 PHE 10 HD2 PHE 10 -1.087 -1.042 9.710
54 HD2 PHE 10 HD1 PHE 10 0.395 -5.001 9.200
55 HE1 PHE 10 HE2 PHE 10 -2.816 -1.466 8.016
56 HE2 PHE 10 HE1 PHE 10 -1.336 -5.432 7.505
57 HZ PHE 10 HZ PHE 10 -2.944 -3.663 6.912
58 H GLN 11 HN GLN 11 0.343 -2.939 14.226
59 HA GLN 11 HA GLN 11 0.220 -5.723 14.358
60 HB2 GLN 11 HB2 GLN 11 -0.509 -3.671 16.258
61 HB3 GLN 11 HB1 GLN 11 -0.472 -5.392 16.796
62 HG2 GLN 11 HG2 GLN 11 1.541 -3.810 15.437
63 HG3 GLN 11 HG1 GLN 11 1.605 -4.065 17.206
64 HE21 GLN 11 HE21 GLN 11 3.616 -4.778 15.175
65 HE22 GLN 11 HE22 GLN 11 3.806 -6.499 15.251
66 H ASP 12 HN ASP 12 -2.176 -3.608 14.060
67 HA ASP 12 HA ASP 12 -4.181 -5.662 13.818
68 HB2 ASP 12 HB2 ASP 12 -4.520 -4.470 15.869
69 HB3 ASP 12 HB1 ASP 12 -4.344 -2.952 14.985
70 H THR 13 HN THR 13 -5.567 -5.073 12.409
71 HA THR 13 HA THR 13 -4.563 -4.138 9.909
72 HB THR 13 HB THR 13 -6.136 -5.951 10.129
73 HG1 THR 13 HG1 THR 13 -6.391 -3.868 8.332
74 HG21 THR 13 HG21 THR 13 -8.223 -3.826 10.634
75 HG22 THR 13 HG22 THR 13 -7.702 -5.082 11.756
76 HG23 THR 13 HG23 THR 13 -8.583 -5.520 10.292
77 H LYS 14 HN LYS 14 -6.611 -2.589 12.264
78 HA LYS 14 HA LYS 14 -7.379 -0.457 10.452
79 HB2 LYS 14 HB2 LYS 14 -8.884 0.208 12.146
80 HB3 LYS 14 HB1 LYS 14 -8.628 -1.533 12.368
81 HG2 LYS 14 HG2 LYS 14 -7.145 -1.176 14.220
82 HG3 LYS 14 HG1 LYS 14 -7.236 0.570 14.010
83 HD2 LYS 14 HD2 LYS 14 -8.663 -0.056 15.850
84 HD3 LYS 14 HD1 LYS 14 -9.680 0.443 14.504
85 HE2 LYS 14 HE2 LYS 14 -10.603 -1.540 15.577
86 HE3 LYS 14 HE1 LYS 14 -10.077 -1.932 13.945
87 HZ1 LYS 14 HZ1 LYS 14 -8.066 -2.937 14.870
88 HZ2 LYS 14 HZ2 LYS 14 -9.382 -3.658 15.569
89 HZ3 LYS 14 HZ3 LYS 14 -8.509 -2.505 16.417
90 H VAL 15 HN VAL 15 -4.551 -1.097 11.757
91 HA VAL 15 HA VAL 15 -3.975 1.418 12.989
92 HB VAL 15 HB VAL 15 -2.376 -1.048 12.552
93 HG11 VAL 15 HG11 VAL 15 -0.719 -0.139 14.085
94 HG12 VAL 15 HG12 VAL 15 -1.653 1.359 14.224
95 HG13 VAL 15 HG13 VAL 15 -0.929 0.892 12.677
96 HG21 VAL 15 HG21 VAL 15 -4.215 -1.252 14.025
97 HG22 VAL 15 HG22 VAL 15 -3.628 0.086 15.030
98 HG23 VAL 15 HG23 VAL 15 -2.705 -1.424 14.926
99 H TYR 16 HN TYR 16 -4.357 2.573 11.123
100 HA TYR 16 HA TYR 16 -1.841 3.340 9.794
101 HB2 TYR 16 HB2 TYR 16 -3.066 3.856 7.758
102 HB3 TYR 16 HB1 TYR 16 -3.479 2.200 8.240
103 HD1 TYR 16 HD1 TYR 16 -5.717 1.695 9.171
104 HD2 TYR 16 HD2 TYR 16 -4.771 5.564 7.667
105 HE1 TYR 16 HE1 TYR 16 -8.106 2.255 9.117
106 HE2 TYR 16 HE2 TYR 16 -7.160 6.131 7.612
107 HH TYR 16 HH TYR 16 -9.334 4.955 7.512
108 H CYS 17 HN CYS 17 -1.737 5.752 9.710
109 HA CYS 17 HA CYS 17 -3.737 6.916 11.505
110 HB2 CYS 17 HB2 CYS 17 -2.208 8.315 12.400
111 HB3 CYS 17 HB1 CYS 17 -1.382 6.733 12.208
112 H THR 18 HN THR 18 -3.738 9.348 11.463
113 HA THR 18 HA THR 18 -4.741 10.234 8.911
114 HB THR 18 HB THR 18 -5.561 12.042 10.433
115 HG1 THR 18 HG1 THR 18 -4.698 12.014 12.273
116 HG21 THR 18 HG21 THR 18 -6.876 10.241 9.676
117 HG22 THR 18 HG22 THR 18 -7.243 10.614 11.403
118 HG23 THR 18 HG23 THR 18 -6.193 9.221 10.977
119 H ARG 19 HN ARG 19 -4.513 12.441 8.521
120 HA ARG 19 HA ARG 19 -2.215 13.879 9.701
121 HB2 ARG 19 HB2 ARG 19 -1.942 15.133 7.563
122 HB3 ARG 19 HB1 ARG 19 -1.689 13.412 7.322
123 HG2 ARG 19 HG2 ARG 19 -4.415 13.856 6.879
124 HG3 ARG 19 HG1 ARG 19 -3.563 15.159 6.050
125 HD2 ARG 19 HD2 ARG 19 -3.951 13.053 4.705
126 HD3 ARG 19 HD1 ARG 19 -2.282 13.625 4.770
127 HE ARG 19 HE ARG 19 -1.694 11.824 6.037
128 HH11 ARG 19 HH11 ARG 19 -5.265 11.824 5.848
129 HH12 ARG 19 HH12 ARG 19 -5.421 10.239 6.355
130 HH21 ARG 19 HH21 ARG 19 -1.912 9.750 6.827
131 HH22 ARG 19 HH22 ARG 19 -3.418 8.978 7.011
132 H GLU 20 HN GLU 20 -5.491 13.577 9.363
133 HA GLU 20 HA GLU 20 -6.216 16.348 9.444
134 HB2 GLU 20 HB2 GLU 20 -7.779 13.788 9.680
135 HB3 GLU 20 HB1 GLU 20 -8.476 15.382 9.400
136 HG2 GLU 20 HG2 GLU 20 -8.615 14.204 7.342
137 HG3 GLU 20 HG1 GLU 20 -7.263 15.310 7.147
138 H SER 21 HN SER 21 -7.146 17.188 11.417
139 HA SER 21 HA SER 21 -6.476 15.639 13.719
140 HB2 SER 21 HB2 SER 21 -7.778 18.335 13.676
141 HB3 SER 21 HB1 SER 21 -7.051 17.391 15.010
142 HG SER 21 HG SER 21 -5.595 19.029 14.080
143 H ASN 22 HN ASN 22 -7.679 14.239 14.150
144 HA ASN 22 HA ASN 22 -10.619 14.454 14.031
145 HB2 ASN 22 HB2 ASN 22 -9.759 12.800 12.411
146 HB3 ASN 22 HB1 ASN 22 -8.960 11.932 13.715
147 HD21 ASN 22 HD21 ASN 22 -12.016 12.698 12.225
148 HD22 ASN 22 HD22 ASN 22 -12.920 11.470 13.043
149 HA PRO 23 HA PRO 23 -9.671 13.853 18.464
150 HB2 PRO 23 HB2 PRO 23 -12.232 15.197 18.917
151 HB3 PRO 23 HB1 PRO 23 -10.615 15.729 19.421
152 HG2 PRO 23 HG2 PRO 23 -12.013 17.040 17.546
153 HG3 PRO 23 HG1 PRO 23 -10.241 16.930 17.523
154 HD2 PRO 23 HD2 PRO 23 -12.230 15.375 15.923
155 HD3 PRO 23 HD1 PRO 23 -10.681 16.092 15.424
156 H HIS 24 HN HIS 24 -10.224 11.876 19.273
157 HA HIS 24 HA HIS 24 -12.907 10.789 19.358
158 HB2 HIS 24 HB2 HIS 24 -12.477 9.124 17.826
159 HB3 HIS 24 HB1 HIS 24 -11.870 10.614 17.116
160 HD1 HIS 24 HD1 HIS 24 -9.378 10.813 16.604
161 HD2 HIS 24 HD2 HIS 24 -10.494 7.163 18.226
162 HE1 HIS 24 HE1 HIS 24 -7.494 9.238 16.136
163 H CYS 25 HN CYS 25 -13.171 9.820 20.849
164 HA CYS 25 HA CYS 25 -11.028 9.428 22.752
165 HB2 CYS 25 HB2 CYS 25 -13.106 10.469 23.585
166 HB3 CYS 25 HB1 CYS 25 -14.005 9.059 22.985
167 H GLY 26 HN GLY 26 -10.085 7.554 22.626
168 HA2 GLY 26 HA2 GLY 26 -11.085 5.453 21.090
169 HA3 GLY 26 HA1 GLY 26 -9.700 5.402 22.174
170 H SER 27 HN SER 27 -11.917 3.710 21.637
171 HA SER 27 HA SER 27 -13.668 3.198 23.616
172 HB2 SER 27 HB2 SER 27 -13.217 0.712 23.232
173 HB3 SER 27 HB1 SER 27 -13.553 1.674 21.789
174 HG SER 27 HG SER 27 -11.400 0.217 22.315
175 H ASP 28 HN ASP 28 -10.192 2.498 23.728
176 HA ASP 28 HA ASP 28 -10.136 1.558 26.445
177 HB2 ASP 28 HB2 ASP 28 -7.974 2.187 24.461
178 HB3 ASP 28 HB1 ASP 28 -7.594 1.883 26.149
179 H GLY 29 HN GLY 29 -10.793 4.388 25.437
180 HA2 GLY 29 HA2 GLY 29 -11.361 6.030 27.128
181 HA3 GLY 29 HA1 GLY 29 -10.029 5.358 28.090
182 H GLN 30 HN GLN 30 -8.550 5.200 25.681
183 HA GLN 30 HA GLN 30 -7.225 7.605 26.128
184 HB2 GLN 30 HB2 GLN 30 -6.615 5.477 24.170
185 HB3 GLN 30 HB1 GLN 30 -5.665 6.966 24.414
186 HG2 GLN 30 HG2 GLN 30 -5.484 6.618 26.584
187 HG3 GLN 30 HG1 GLN 30 -6.536 5.168 26.505
188 HE21 GLN 30 HE21 GLN 30 -5.650 3.196 25.721
189 HE22 GLN 30 HE22 GLN 30 -3.979 2.952 25.391
190 H THR 31 HN THR 31 -7.202 9.230 25.297
191 HA THR 31 HA THR 31 -8.730 9.718 22.791
192 HB THR 31 HB THR 31 -8.487 11.611 25.107
193 HG1 THR 31 HG1 THR 31 -10.014 9.868 25.417
194 HG21 THR 31 HG21 THR 31 -9.958 13.099 23.828
195 HG22 THR 31 HG22 THR 31 -10.034 11.960 22.494
196 HG23 THR 31 HG23 THR 31 -8.510 12.750 22.864
197 H TYR 32 HN TYR 32 -7.629 10.574 21.268
198 HA TYR 32 HA TYR 32 -5.566 12.412 22.017
199 HB2 TYR 32 HB2 TYR 32 -5.116 10.000 20.334
200 HB3 TYR 32 HB1 TYR 32 -4.233 11.479 19.977
201 HD1 TYR 32 HD2 TYR 32 -4.842 8.942 22.642
202 HD2 TYR 32 HD1 TYR 32 -2.370 12.122 21.271
203 HE1 TYR 32 HE2 TYR 32 -3.176 8.384 24.363
204 HE2 TYR 32 HE1 TYR 32 -0.702 11.570 22.984
205 HH TYR 32 HH TYR 32 -0.638 10.422 25.197
206 H GLY 33 HN GLY 33 -4.880 13.647 20.419
207 HA2 GLY 33 HA2 GLY 33 -6.804 15.240 19.197
208 HA3 GLY 33 HA1 GLY 33 -5.106 15.295 18.769
209 H ASN 34 HN ASN 34 -5.058 12.495 17.662
210 HA ASN 34 HA ASN 34 -7.147 12.288 15.853
211 HB2 ASN 34 HB2 ASN 34 -5.929 12.595 13.745
212 HB3 ASN 34 HB1 ASN 34 -5.956 14.067 14.692
213 HD21 ASN 34 HD21 ASN 34 -4.260 14.907 13.518
214 HD22 ASN 34 HD22 ASN 34 -2.637 14.382 13.739
215 H LYS 35 HN LYS 35 -6.153 10.621 14.053
216 HA LYS 35 HA LYS 35 -5.761 8.270 15.652
217 HB2 LYS 35 HB2 LYS 35 -7.034 8.343 13.480
218 HB3 LYS 35 HB1 LYS 35 -5.480 8.636 12.712
219 HG2 LYS 35 HG2 LYS 35 -6.026 6.364 12.372
220 HG3 LYS 35 HG1 LYS 35 -4.720 6.432 13.553
221 HD2 LYS 35 HD2 LYS 35 -6.289 6.056 15.356
222 HD3 LYS 35 HD1 LYS 35 -7.643 6.108 14.221
223 HE2 LYS 35 HE2 LYS 35 -5.416 4.076 14.286
224 HE3 LYS 35 HE1 LYS 35 -7.106 3.802 14.715
225 HZ1 LYS 35 HZ1 LYS 35 -6.050 4.499 12.031
226 HZ2 LYS 35 HZ2 LYS 35 -7.698 4.322 12.391
227 HZ3 LYS 35 HZ3 LYS 35 -6.649 3.001 12.500
228 H CYS 36 HN CYS 36 -3.822 9.973 13.706
229 HA CYS 36 HA CYS 36 -1.421 8.331 13.935
230 HB2 CYS 36 HB2 CYS 36 -2.041 10.492 12.444
231 HB3 CYS 36 HB1 CYS 36 -1.074 11.185 13.753
232 H ALA 37 HN ALA 37 -2.663 10.736 15.718
233 HA ALA 37 HA ALA 37 -0.630 11.383 17.504
234 HB1 ALA 37 HB1 ALA 37 -2.796 12.462 17.321
235 HB2 ALA 37 HB2 ALA 37 -2.433 12.114 19.034
236 HB3 ALA 37 HB3 ALA 37 -3.516 11.068 18.079
237 H PHE 38 HN PHE 38 -2.988 8.692 17.741
238 HA PHE 38 HA PHE 38 -0.956 7.464 19.462
239 HB2 PHE 38 HB2 PHE 38 -2.483 6.631 21.089
240 HB3 PHE 38 HB1 PHE 38 -2.723 8.351 20.918
241 HD1 PHE 38 HD1 PHE 38 -4.604 8.552 18.679
242 HD2 PHE 38 HD2 PHE 38 -4.393 5.717 21.834
243 HE1 PHE 38 HE1 PHE 38 -7.020 8.192 18.521
244 HE2 PHE 38 HE2 PHE 38 -6.797 5.349 21.679
245 HZ PHE 38 HZ PHE 38 -8.128 6.586 20.015
246 H CYS 39 HN CYS 39 -1.691 7.003 16.669
247 HA CYS 39 HA CYS 39 -2.892 4.450 16.213
248 HB2 CYS 39 HB2 CYS 39 -2.140 6.134 14.471
249 HB3 CYS 39 HB1 CYS 39 -0.495 5.608 14.790
250 H LYS 40 HN LYS 40 0.412 5.172 17.014
251 HA LYS 40 HA LYS 40 1.247 2.549 17.094
252 HB2 LYS 40 HB2 LYS 40 2.878 3.772 18.524
253 HB3 LYS 40 HB1 LYS 40 2.890 3.945 16.694
254 HG2 LYS 40 HG2 LYS 40 3.390 6.130 17.584
255 HG3 LYS 40 HG1 LYS 40 1.655 6.145 17.307
256 HD2 LYS 40 HD2 LYS 40 1.155 6.048 19.566
257 HD3 LYS 40 HD1 LYS 40 2.764 5.465 20.001
258 HE2 LYS 40 HE2 LYS 40 2.419 7.857 20.600
259 HE3 LYS 40 HE1 LYS 40 3.750 7.615 19.480
260 HZ1 LYS 40 HZ1 LYS 40 2.176 8.313 17.655
261 HZ2 LYS 40 HZ2 LYS 40 2.502 9.497 18.798
262 HZ3 LYS 40 HZ3 LYS 40 1.041 8.713 18.855
263 H ALA 41 HN ALA 41 -0.045 4.465 19.201
264 HA ALA 41 HA ALA 41 0.380 2.813 21.556
265 HB1 ALA 41 HB1 ALA 41 -1.552 4.705 20.816
266 HB2 ALA 41 HB2 ALA 41 -0.049 5.066 21.801
267 HB3 ALA 41 HB3 ALA 41 -1.425 4.026 22.450
268 H ILE 42 HN ILE 42 -2.051 3.072 19.000
269 HA ILE 42 HA ILE 42 -4.115 1.435 20.259
270 HB ILE 42 HB ILE 42 -3.372 2.166 17.422
271 HG12 ILE 42 HG12 ILE 42 -5.829 2.864 18.944
272 HG13 ILE 42 HG11 ILE 42 -4.199 3.539 19.250
273 HG21 ILE 42 HG21 ILE 42 -5.759 0.542 18.360
274 HG22 ILE 42 HG22 ILE 42 -4.304 -0.067 17.594
275 HG23 ILE 42 HG23 ILE 42 -5.378 1.014 16.673
276 HD11 ILE 42 HD11 ILE 42 -5.813 4.796 17.662
277 HD12 ILE 42 HD12 ILE 42 -5.172 3.594 16.478
278 HD13 ILE 42 HD13 ILE 42 -4.085 4.575 17.512
279 H VAL 43 HN VAL 43 -1.613 1.080 18.213
280 HA VAL 43 HA VAL 43 -1.282 -1.641 17.793
281 HB VAL 43 HB VAL 43 0.785 0.371 18.542
282 HG11 VAL 43 HG11 VAL 43 2.354 -1.031 17.375
283 HG12 VAL 43 HG12 VAL 43 1.068 -2.133 16.882
284 HG13 VAL 43 HG13 VAL 43 1.542 -2.030 18.584
285 HG21 VAL 43 HG21 VAL 43 -0.443 -0.368 15.950
286 HG22 VAL 43 HG22 VAL 43 1.016 0.633 16.113
287 HG23 VAL 43 HG23 VAL 43 -0.526 1.151 16.866
288 H LYS 44 HN LYS 44 -0.397 0.295 20.593
289 HA LYS 44 HA LYS 44 0.852 -1.956 21.821
290 HB2 LYS 44 HB2 LYS 44 0.429 0.820 22.476
291 HB3 LYS 44 HB1 LYS 44 1.262 -0.221 23.658
292 HG2 LYS 44 HG2 LYS 44 2.980 -0.782 21.999
293 HG3 LYS 44 HG1 LYS 44 2.131 0.146 20.772
294 HD2 LYS 44 HD2 LYS 44 2.592 2.195 22.055
295 HD3 LYS 44 HD1 LYS 44 3.493 1.231 23.231
296 HE2 LYS 44 HE2 LYS 44 4.942 2.344 21.516
297 HE3 LYS 44 HE1 LYS 44 5.110 0.592 21.571
298 HZ1 LYS 44 HZ1 LYS 44 3.233 1.799 19.600
299 HZ2 LYS 44 HZ2 LYS 44 4.088 0.366 19.465
300 HZ3 LYS 44 HZ3 LYS 44 4.849 1.760 19.257
301 H SER 45 HN SER 45 -1.977 -0.126 22.162
302 HA SER 45 HA SER 45 -2.892 -1.512 24.502
303 HB2 SER 45 HB2 SER 45 -4.471 0.090 22.534
304 HB3 SER 45 HB1 SER 45 -4.957 -0.305 24.182
305 HG SER 45 HG SER 45 -2.752 1.321 23.404
306 H GLY 46 HN GLY 46 -2.380 -2.821 21.521
307 HA2 GLY 46 HA2 GLY 46 -2.827 -4.881 21.098
308 HA3 GLY 46 HA1 GLY 46 -4.356 -4.807 22.049
309 H GLY 47 HN GLY 47 -4.124 -2.292 19.990
310 HA2 GLY 47 HA2 GLY 47 -5.000 -1.871 17.882
311 HA3 GLY 47 HA1 GLY 47 -5.197 -3.613 17.646
312 H LYS 48 HN LYS 48 -6.369 -3.217 20.522
313 HA LYS 48 HA LYS 48 -9.021 -3.646 19.962
314 HB2 LYS 48 HB2 LYS 48 -7.586 -2.704 22.362
315 HB3 LYS 48 HB1 LYS 48 -9.309 -3.045 22.378
316 HG2 LYS 48 HG2 LYS 48 -8.992 -5.287 22.287
317 HG3 LYS 48 HG1 LYS 48 -7.512 -5.146 21.342
318 HD2 LYS 48 HD2 LYS 48 -7.121 -5.992 23.660
319 HD3 LYS 48 HD1 LYS 48 -6.268 -4.514 23.206
320 HE2 LYS 48 HE2 LYS 48 -8.855 -4.366 24.761
321 HE3 LYS 48 HE1 LYS 48 -7.338 -4.673 25.596
322 HZ1 LYS 48 HZ1 LYS 48 -8.018 -2.216 24.003
323 HZ2 LYS 48 HZ2 LYS 48 -6.501 -2.552 24.548
324 HZ3 LYS 48 HZ3 LYS 48 -7.737 -2.263 25.627
325 H ILE 49 HN ILE 49 -7.321 -0.606 20.275
326 HA ILE 49 HA ILE 49 -9.565 0.754 21.207
327 HB ILE 49 HB ILE 49 -7.387 1.939 19.624
328 HG12 ILE 49 HG12 ILE 49 -7.432 1.326 22.588
329 HG13 ILE 49 HG11 ILE 49 -6.471 0.478 21.391
330 HG21 ILE 49 HG21 ILE 49 -9.402 3.326 20.219
331 HG22 ILE 49 HG22 ILE 49 -7.943 3.954 20.977
332 HG23 ILE 49 HG23 ILE 49 -9.100 3.004 21.919
333 HD11 ILE 49 HD11 ILE 49 -5.431 2.626 20.875
334 HD12 ILE 49 HD12 ILE 49 -5.010 1.893 22.401
335 HD13 ILE 49 HD13 ILE 49 -6.139 3.287 22.363
336 H SER 50 HN SER 50 -11.081 1.438 20.373
337 HA SER 50 HA SER 50 -11.576 1.980 17.519
338 HB2 SER 50 HB2 SER 50 -13.470 0.630 19.466
339 HB3 SER 50 HB1 SER 50 -13.750 0.961 17.753
340 HG SER 50 HG SER 50 -11.714 -0.735 18.773
341 H LEU 51 HN LEU 51 -13.925 3.427 17.711
342 HA LEU 51 HA LEU 51 -13.118 5.225 19.463
343 HB2 LEU 51 HB2 LEU 51 -13.569 5.588 17.212
344 HB3 LEU 51 HB1 LEU 51 -15.234 5.071 17.463
345 HG LEU 51 HG LEU 51 -15.497 6.741 19.120
346 HD11 LEU 51 HD11 LEU 51 -12.751 7.236 18.248
347 HD12 LEU 51 HD12 LEU 51 -13.348 6.923 19.861
348 HD13 LEU 51 HD13 LEU 51 -13.637 8.530 19.130
349 HD21 LEU 51 HD21 LEU 51 -16.016 6.892 16.884
350 HD22 LEU 51 HD22 LEU 51 -14.449 7.737 16.589
351 HD23 LEU 51 HD23 LEU 51 -15.714 8.437 17.736
352 H LYS 52 HN LYS 52 -14.216 5.966 21.164
353 HA LYS 52 HA LYS 52 -16.780 4.949 22.139
354 HB2 LYS 52 HB2 LYS 52 -15.459 7.570 22.792
355 HB3 LYS 52 HB1 LYS 52 -16.807 6.848 23.623
356 HG2 LYS 52 HG2 LYS 52 -14.143 5.724 23.434
357 HG3 LYS 52 HG1 LYS 52 -14.600 6.866 24.698
358 HD2 LYS 52 HD2 LYS 52 -16.631 5.045 24.889
359 HD3 LYS 52 HD1 LYS 52 -15.301 3.977 24.446
360 HE2 LYS 52 HE2 LYS 52 -15.402 5.879 26.789
361 HE3 LYS 52 HE1 LYS 52 -15.449 4.121 26.855
362 HZ1 LYS 52 HZ1 LYS 52 -13.152 5.664 25.784
363 HZ2 LYS 52 HZ2 LYS 52 -13.203 4.001 26.148
364 HZ3 LYS 52 HZ3 LYS 52 -13.270 5.138 27.384
365 H HIS 53 HN HIS 53 -15.574 7.890 21.115
366 HA HIS 53 HA HIS 53 -17.811 8.634 19.416
367 HB2 HIS 53 HB2 HIS 53 -18.785 8.748 21.770
368 HB3 HIS 53 HB1 HIS 53 -17.621 10.007 22.130
369 HD1 HIS 53 HD1 HIS 53 -18.142 12.410 21.120
370 HD2 HIS 53 HD2 HIS 53 -20.959 9.486 20.217
371 HE1 HIS 53 HE1 HIS 53 -20.167 13.624 20.276
372 HA PRO 54 HA PRO 54 -14.662 11.656 18.195
373 HB2 PRO 54 HB2 PRO 54 -16.378 13.675 17.345
374 HB3 PRO 54 HB1 PRO 54 -15.863 12.316 16.327
375 HG2 PRO 54 HG2 PRO 54 -18.392 12.673 17.825
376 HG3 PRO 54 HG1 PRO 54 -18.110 11.934 16.235
377 HD2 PRO 54 HD2 PRO 54 -18.541 10.436 18.400
378 HD3 PRO 54 HD1 PRO 54 -17.408 9.930 17.129
379 H GLY 55 HN GLY 55 -13.686 13.237 19.240
380 HA2 GLY 55 HA2 GLY 55 -13.541 15.178 20.646
381 HA3 GLY 55 HA1 GLY 55 -15.143 14.789 21.268
382 H LYS 56 HN LYS 56 -12.908 15.331 22.936
383 HA LYS 56 HA LYS 56 -11.680 13.150 23.980
384 HB2 LYS 56 HB2 LYS 56 -12.647 15.665 25.151
385 HB3 LYS 56 HB1 LYS 56 -11.761 14.477 26.087
386 HG2 LYS 56 HG2 LYS 56 -9.907 14.800 24.483
387 HG3 LYS 56 HG1 LYS 56 -10.898 16.105 23.770
388 HD2 LYS 56 HD2 LYS 56 -9.330 17.099 25.357
389 HD3 LYS 56 HD1 LYS 56 -10.946 17.177 26.038
390 HE2 LYS 56 HE2 LYS 56 -8.862 15.076 26.781
391 HE3 LYS 56 HE1 LYS 56 -9.141 16.544 27.692
392 HZ1 LYS 56 HZ1 LYS 56 -10.311 14.804 28.844
393 HZ2 LYS 56 HZ2 LYS 56 -10.880 14.103 27.538
394 HZ3 LYS 56 HZ3 LYS 56 -11.575 15.519 28.031
395 H CYS 57 HN CYS 57 -11.904 12.115 25.677
396 HA CYS 57 HA CYS 57 -14.402 12.240 27.187
397 HB2 CYS 57 HB2 CYS 57 -12.133 10.191 27.213
398 HB3 CYS 57 HB1 CYS 57 -13.439 10.199 28.389
Start of MODEL 5
1 H GLN 1 HT1 GLN 1 -0.677 1.636 6.751
2 HA GLN 1 HA GLN 1 0.806 2.245 4.870
3 HB2 GLN 1 HB2 GLN 1 -1.759 0.890 3.918
4 HB3 GLN 1 HB1 GLN 1 -0.183 0.749 3.170
5 HG2 GLN 1 HG2 GLN 1 -0.604 -1.290 4.319
6 HG3 GLN 1 HG1 GLN 1 0.595 -0.416 5.268
7 HE21 GLN 1 HE21 GLN 1 -2.731 -1.497 5.146
8 HE22 GLN 1 HE22 GLN 1 -3.049 -1.156 6.818
9 H GLY 2 HN GLY 2 1.129 3.910 3.391
10 HA2 GLY 2 HA2 GLY 2 -0.642 4.646 1.446
11 HA3 GLY 2 HA1 GLY 2 -1.034 5.666 2.820
12 H GLY 3 HN GLY 3 1.684 5.889 3.799
13 HA2 GLY 3 HA2 GLY 3 3.695 6.848 3.168
14 HA3 GLY 3 HA1 GLY 3 3.008 7.398 1.605
15 H GLN 4 HN GLN 4 1.776 7.440 4.687
16 HA GLN 4 HA GLN 4 1.706 10.397 5.038
17 HB2 GLN 4 HB2 GLN 4 -0.543 10.049 5.776
18 HB3 GLN 4 HB1 GLN 4 -0.285 9.014 4.354
19 HG2 GLN 4 HG2 GLN 4 0.249 7.145 5.948
20 HG3 GLN 4 HG1 GLN 4 -0.491 8.144 7.192
21 HE21 GLN 4 HE21 GLN 4 -1.228 5.634 6.146
22 HE22 GLN 4 HE22 GLN 4 -2.856 5.750 5.529
23 H VAL 5 HN VAL 5 0.974 10.316 7.521
24 HA VAL 5 HA VAL 5 3.279 9.202 8.815
25 HB VAL 5 HB VAL 5 0.823 10.228 10.276
26 HG11 VAL 5 HG11 VAL 5 2.307 8.825 11.609
27 HG12 VAL 5 HG12 VAL 5 2.362 10.499 12.172
28 HG13 VAL 5 HG13 VAL 5 3.683 9.850 11.194
29 HG21 VAL 5 HG21 VAL 5 3.332 11.729 9.495
30 HG22 VAL 5 HG22 VAL 5 2.037 12.359 10.514
31 HG23 VAL 5 HG23 VAL 5 1.724 11.982 8.819
32 H ASP 6 HN ASP 6 3.175 7.150 8.217
33 HA ASP 6 HA ASP 6 1.047 5.507 9.253
34 HB2 ASP 6 HB2 ASP 6 3.338 4.853 7.371
35 HB3 ASP 6 HB1 ASP 6 2.251 3.634 8.015
36 H CYS 7 HN CYS 7 1.281 5.405 11.292
37 HA CYS 7 HA CYS 7 3.155 5.124 13.241
38 HB2 CYS 7 HB2 CYS 7 0.907 3.273 12.765
39 HB3 CYS 7 HB1 CYS 7 1.589 3.766 14.337
40 H GLY 8 HN GLY 8 4.838 4.397 13.602
41 HA2 GLY 8 HA2 GLY 8 5.888 2.243 12.013
42 HA3 GLY 8 HA1 GLY 8 6.752 3.231 13.193
43 H GLU 9 HN GLU 9 4.277 2.646 15.023
44 HA GLU 9 HA GLU 9 5.309 0.436 16.365
45 HB2 GLU 9 HB2 GLU 9 2.710 1.754 16.191
46 HB3 GLU 9 HB1 GLU 9 3.108 0.670 17.567
47 HG2 GLU 9 HG2 GLU 9 3.595 2.652 18.584
48 HG3 GLU 9 HG1 GLU 9 5.005 2.728 17.522
49 H PHE 10 HN PHE 10 2.502 1.110 14.387
50 HA PHE 10 HA PHE 10 1.334 -0.148 12.683
51 HB2 PHE 10 HB2 PHE 10 3.828 0.073 12.164
52 HB3 PHE 10 HB1 PHE 10 3.731 -1.637 12.669
53 HD1 PHE 10 HD1 PHE 10 1.765 0.563 10.364
54 HD2 PHE 10 HD2 PHE 10 3.787 -3.151 10.839
55 HE1 PHE 10 HE1 PHE 10 1.101 -0.087 8.090
56 HE2 PHE 10 HE2 PHE 10 3.118 -3.810 8.566
57 HZ PHE 10 HZ PHE 10 1.774 -2.275 7.188
58 H GLN 11 HN GLN 11 1.402 -1.263 15.235
59 HA GLN 11 HA GLN 11 1.644 -3.935 15.735
60 HB2 GLN 11 HB2 GLN 11 -0.448 -2.086 16.393
61 HB3 GLN 11 HB1 GLN 11 -0.483 -3.724 17.138
62 HG2 GLN 11 HG2 GLN 11 1.620 -1.698 17.101
63 HG3 GLN 11 HG1 GLN 11 0.498 -1.920 18.468
64 HE21 GLN 11 HE21 GLN 11 0.778 -3.724 19.833
65 HE22 GLN 11 HE22 GLN 11 2.222 -4.679 19.794
66 H ASP 12 HN ASP 12 -0.808 -2.534 14.020
67 HA ASP 12 HA ASP 12 -1.594 -5.004 12.768
68 HB2 ASP 12 HB2 ASP 12 -3.031 -4.251 14.716
69 HB3 ASP 12 HB1 ASP 12 -3.386 -2.858 13.713
70 H THR 13 HN THR 13 -3.074 -4.095 11.041
71 HA THR 13 HA THR 13 -1.504 -2.277 9.435
72 HB THR 13 HB THR 13 -3.264 -3.056 7.756
73 HG1 THR 13 HG1 THR 13 -3.386 -5.342 9.328
74 HG21 THR 13 HG21 THR 13 -0.901 -3.715 7.683
75 HG22 THR 13 HG22 THR 13 -1.924 -5.111 7.315
76 HG23 THR 13 HG23 THR 13 -1.218 -4.927 8.925
77 H LYS 14 HN LYS 14 -4.113 -2.009 11.470
78 HA LYS 14 HA LYS 14 -5.605 0.008 9.998
79 HB2 LYS 14 HB2 LYS 14 -5.662 -0.911 12.792
80 HB3 LYS 14 HB1 LYS 14 -7.028 -0.059 12.006
81 HG2 LYS 14 HG2 LYS 14 -5.914 -2.799 11.659
82 HG3 LYS 14 HG1 LYS 14 -7.516 -2.412 12.303
83 HD2 LYS 14 HD2 LYS 14 -8.212 -1.676 10.071
84 HD3 LYS 14 HD1 LYS 14 -6.578 -1.958 9.456
85 HE2 LYS 14 HE2 LYS 14 -8.424 -4.057 10.595
86 HE3 LYS 14 HE1 LYS 14 -8.064 -3.821 8.886
87 HZ1 LYS 14 HZ1 LYS 14 -6.721 -5.632 9.900
88 HZ2 LYS 14 HZ2 LYS 14 -6.012 -4.520 10.954
89 HZ3 LYS 14 HZ3 LYS 14 -5.723 -4.395 9.345
90 H VAL 15 HN VAL 15 -2.918 -0.307 11.739
91 HA VAL 15 HA VAL 15 -3.066 2.082 13.353
92 HB VAL 15 HB VAL 15 -0.757 0.185 13.021
93 HG11 VAL 15 HG11 VAL 15 -0.172 2.345 14.055
94 HG12 VAL 15 HG12 VAL 15 0.013 0.997 15.167
95 HG13 VAL 15 HG13 VAL 15 -1.391 2.059 15.297
96 HG21 VAL 15 HG21 VAL 15 -2.980 0.118 15.034
97 HG22 VAL 15 HG22 VAL 15 -1.526 -0.880 15.106
98 HG23 VAL 15 HG23 VAL 15 -2.655 -1.055 13.760
99 H TYR 16 HN TYR 16 -3.346 3.246 11.404
100 HA TYR 16 HA TYR 16 -0.865 4.603 10.709
101 HB2 TYR 16 HB2 TYR 16 -1.706 5.004 8.446
102 HB3 TYR 16 HB1 TYR 16 -1.700 3.264 8.806
103 HD1 TYR 16 HD1 TYR 16 -3.774 2.022 9.050
104 HD2 TYR 16 HD2 TYR 16 -3.834 6.160 8.063
105 HE1 TYR 16 HE1 TYR 16 -6.139 1.835 8.427
106 HE2 TYR 16 HE2 TYR 16 -6.205 5.980 7.440
107 HH TYR 16 HH TYR 16 -7.797 4.167 6.704
108 H CYS 17 HN CYS 17 -1.244 6.963 10.721
109 HA CYS 17 HA CYS 17 -3.776 7.550 12.072
110 HB2 CYS 17 HB2 CYS 17 -2.611 9.082 13.424
111 HB3 CYS 17 HB1 CYS 17 -1.673 7.588 13.302
112 H THR 18 HN THR 18 -3.771 10.061 12.185
113 HA THR 18 HA THR 18 -4.996 10.774 9.754
114 HB THR 18 HB THR 18 -5.315 12.888 11.168
115 HG1 THR 18 HG1 THR 18 -3.841 12.642 12.741
116 HG21 THR 18 HG21 THR 18 -6.266 10.209 12.023
117 HG22 THR 18 HG22 THR 18 -7.038 11.227 10.770
118 HG23 THR 18 HG23 THR 18 -7.049 11.720 12.484
119 H ARG 19 HN ARG 19 -4.732 12.803 8.920
120 HA ARG 19 HA ARG 19 -2.198 14.217 9.366
121 HB2 ARG 19 HB2 ARG 19 -3.011 15.214 6.923
122 HB3 ARG 19 HB1 ARG 19 -1.811 13.955 7.119
123 HG2 ARG 19 HG2 ARG 19 -4.710 13.379 6.830
124 HG3 ARG 19 HG1 ARG 19 -3.681 13.553 5.377
125 HD2 ARG 19 HD2 ARG 19 -2.210 11.745 6.475
126 HD3 ARG 19 HD1 ARG 19 -3.512 11.516 7.622
127 HE ARG 19 HE ARG 19 -3.214 10.321 5.167
128 HH11 ARG 19 HH11 ARG 19 -6.043 12.084 6.566
129 HH12 ARG 19 HH12 ARG 19 -7.123 10.902 6.162
130 HH21 ARG 19 HH21 ARG 19 -4.742 8.712 4.649
131 HH22 ARG 19 HH22 ARG 19 -6.412 8.908 4.999
132 H GLU 20 HN GLU 20 -5.465 14.114 9.602
133 HA GLU 20 HA GLU 20 -6.099 16.872 9.697
134 HB2 GLU 20 HB2 GLU 20 -7.567 14.384 10.522
135 HB3 GLU 20 HB1 GLU 20 -8.296 15.970 10.310
136 HG2 GLU 20 HG2 GLU 20 -8.912 14.614 8.440
137 HG3 GLU 20 HG1 GLU 20 -7.723 15.770 7.858
138 H SER 21 HN SER 21 -7.686 17.058 11.859
139 HA SER 21 HA SER 21 -5.876 16.860 14.208
140 HB2 SER 21 HB2 SER 21 -6.422 19.078 13.156
141 HB3 SER 21 HB1 SER 21 -8.093 18.609 13.579
142 HG SER 21 HG SER 21 -7.413 18.505 15.767
143 H ASN 22 HN ASN 22 -7.914 15.252 13.107
144 HA ASN 22 HA ASN 22 -10.459 15.094 14.362
145 HB2 ASN 22 HB2 ASN 22 -8.762 12.855 13.293
146 HB3 ASN 22 HB1 ASN 22 -10.399 12.620 13.865
147 HD21 ASN 22 HD21 ASN 22 -11.030 11.940 11.785
148 HD22 ASN 22 HD22 ASN 22 -11.284 13.085 10.511
149 HA PRO 23 HA PRO 23 -8.749 13.866 18.388
150 HB2 PRO 23 HB2 PRO 23 -11.153 14.715 19.686
151 HB3 PRO 23 HB1 PRO 23 -9.592 15.542 19.678
152 HG2 PRO 23 HG2 PRO 23 -11.856 16.520 18.455
153 HG3 PRO 23 HG1 PRO 23 -10.193 17.006 18.088
154 HD2 PRO 23 HD2 PRO 23 -11.976 15.154 16.595
155 HD3 PRO 23 HD1 PRO 23 -10.731 16.276 16.001
156 H HIS 24 HN HIS 24 -9.279 12.198 19.898
157 HA HIS 24 HA HIS 24 -11.571 10.395 19.366
158 HB2 HIS 24 HB2 HIS 24 -8.684 9.622 18.979
159 HB3 HIS 24 HB1 HIS 24 -10.083 8.566 19.041
160 HD1 HIS 24 HD1 HIS 24 -11.926 9.508 16.925
161 HD2 HIS 24 HD2 HIS 24 -7.825 9.873 16.478
162 HE1 HIS 24 HE1 HIS 24 -11.503 9.646 14.443
163 H CYS 25 HN CYS 25 -12.220 9.842 20.987
164 HA CYS 25 HA CYS 25 -10.461 9.317 23.296
165 HB2 CYS 25 HB2 CYS 25 -12.711 10.616 23.643
166 HB3 CYS 25 HB1 CYS 25 -13.423 9.038 23.217
167 H GLY 26 HN GLY 26 -9.627 7.380 23.005
168 HA2 GLY 26 HA2 GLY 26 -10.909 5.566 21.183
169 HA3 GLY 26 HA1 GLY 26 -9.358 5.362 21.972
170 H SER 27 HN SER 27 -11.027 3.297 21.723
171 HA SER 27 HA SER 27 -12.573 2.981 23.948
172 HB2 SER 27 HB2 SER 27 -11.267 0.826 22.268
173 HB3 SER 27 HB1 SER 27 -12.572 0.539 23.424
174 HG SER 27 HG SER 27 -13.854 1.063 21.845
175 H ASP 28 HN ASP 28 -9.286 3.316 23.740
176 HA ASP 28 HA ASP 28 -8.294 1.693 25.918
177 HB2 ASP 28 HB2 ASP 28 -7.002 2.641 23.831
178 HB3 ASP 28 HB1 ASP 28 -7.021 4.145 24.740
179 H GLY 29 HN GLY 29 -10.211 4.272 25.564
180 HA2 GLY 29 HA2 GLY 29 -11.280 5.322 27.407
181 HA3 GLY 29 HA1 GLY 29 -9.852 4.909 28.374
182 H GLN 30 HN GLN 30 -8.076 5.667 26.400
183 HA GLN 30 HA GLN 30 -7.801 8.298 27.276
184 HB2 GLN 30 HB2 GLN 30 -6.136 6.702 25.437
185 HB3 GLN 30 HB1 GLN 30 -5.748 8.363 25.899
186 HG2 GLN 30 HG2 GLN 30 -5.981 7.830 28.093
187 HG3 GLN 30 HG1 GLN 30 -6.311 6.110 27.645
188 HE21 GLN 30 HE21 GLN 30 -4.509 4.872 26.805
189 HE22 GLN 30 HE22 GLN 30 -2.875 5.420 26.983
190 H THR 31 HN THR 31 -7.627 10.079 26.339
191 HA THR 31 HA THR 31 -8.856 10.345 23.667
192 HB THR 31 HB THR 31 -8.746 12.463 25.825
193 HG1 THR 31 HG1 THR 31 -10.367 10.573 25.824
194 HG21 THR 31 HG21 THR 31 -10.169 13.801 24.216
195 HG22 THR 31 HG22 THR 31 -9.954 12.543 23.028
196 HG23 THR 31 HG23 THR 31 -8.559 13.458 23.560
197 H TYR 32 HN TYR 32 -7.730 11.122 22.131
198 HA TYR 32 HA TYR 32 -5.380 12.672 22.802
199 HB2 TYR 32 HB2 TYR 32 -5.590 10.500 20.746
200 HB3 TYR 32 HB1 TYR 32 -4.262 11.641 20.837
201 HD1 TYR 32 HD2 TYR 32 -2.800 11.632 22.920
202 HD2 TYR 32 HD1 TYR 32 -5.618 8.567 22.094
203 HE1 TYR 32 HE2 TYR 32 -1.613 10.132 24.470
204 HE2 TYR 32 HE1 TYR 32 -4.445 7.059 23.636
205 HH TYR 32 HH TYR 32 -2.363 8.025 25.895
206 H GLY 33 HN GLY 33 -4.836 14.135 21.335
207 HA2 GLY 33 HA2 GLY 33 -6.856 15.743 20.278
208 HA3 GLY 33 HA1 GLY 33 -5.156 15.936 19.916
209 H ASN 34 HN ASN 34 -5.124 13.183 18.580
210 HA ASN 34 HA ASN 34 -7.025 13.198 16.558
211 HB2 ASN 34 HB2 ASN 34 -5.509 13.558 14.581
212 HB3 ASN 34 HB1 ASN 34 -5.834 15.012 15.474
213 HD21 ASN 34 HD21 ASN 34 -4.182 16.051 16.483
214 HD22 ASN 34 HD22 ASN 34 -2.521 15.594 16.310
215 H LYS 35 HN LYS 35 -6.230 11.550 14.739
216 HA LYS 35 HA LYS 35 -5.876 9.200 16.249
217 HB2 LYS 35 HB2 LYS 35 -6.941 9.379 13.908
218 HB3 LYS 35 HB1 LYS 35 -5.216 9.291 13.439
219 HG2 LYS 35 HG2 LYS 35 -4.983 7.126 14.529
220 HG3 LYS 35 HG1 LYS 35 -6.656 7.179 15.064
221 HD2 LYS 35 HD2 LYS 35 -7.398 7.058 12.735
222 HD3 LYS 35 HD1 LYS 35 -5.718 7.012 12.192
223 HE2 LYS 35 HE2 LYS 35 -5.455 4.963 13.703
224 HE3 LYS 35 HE1 LYS 35 -7.213 4.949 13.808
225 HZ1 LYS 35 HZ1 LYS 35 -5.613 4.809 11.347
226 HZ2 LYS 35 HZ2 LYS 35 -7.314 4.660 11.390
227 HZ3 LYS 35 HZ3 LYS 35 -6.308 3.468 12.077
228 H CYS 36 HN CYS 36 -3.701 10.925 14.553
229 HA CYS 36 HA CYS 36 -1.379 9.282 14.727
230 HB2 CYS 36 HB2 CYS 36 -1.777 12.130 14.804
231 HB3 CYS 36 HB1 CYS 36 -0.084 11.551 14.938
232 H ALA 37 HN ALA 37 -2.709 11.312 16.917
233 HA ALA 37 HA ALA 37 -0.689 10.971 18.973
234 HB1 ALA 37 HB1 ALA 37 -1.949 13.016 18.872
235 HB2 ALA 37 HB2 ALA 37 -2.419 12.205 20.386
236 HB3 ALA 37 HB3 ALA 37 -3.424 12.079 18.912
237 H PHE 38 HN PHE 38 -3.866 9.761 18.249
238 HA PHE 38 HA PHE 38 -4.027 7.976 20.503
239 HB2 PHE 38 HB2 PHE 38 -6.091 8.979 19.691
240 HB3 PHE 38 HB1 PHE 38 -5.783 8.397 18.072
241 HD1 PHE 38 HD1 PHE 38 -5.828 6.660 21.399
242 HD2 PHE 38 HD2 PHE 38 -7.481 6.985 17.489
243 HE1 PHE 38 HE1 PHE 38 -7.238 4.706 21.836
244 HE2 PHE 38 HE2 PHE 38 -8.892 5.022 17.921
245 HZ PHE 38 HZ PHE 38 -8.770 3.876 20.092
246 H CYS 39 HN CYS 39 -2.279 7.737 17.685
247 HA CYS 39 HA CYS 39 -2.975 5.137 16.765
248 HB2 CYS 39 HB2 CYS 39 -1.600 7.043 15.594
249 HB3 CYS 39 HB1 CYS 39 -0.235 6.204 16.335
250 H LYS 40 HN LYS 40 -0.572 6.208 19.037
251 HA LYS 40 HA LYS 40 0.666 3.762 19.323
252 HB2 LYS 40 HB2 LYS 40 1.199 4.907 21.382
253 HB3 LYS 40 HB1 LYS 40 1.955 5.491 19.798
254 HG2 LYS 40 HG2 LYS 40 1.486 7.451 21.148
255 HG3 LYS 40 HG1 LYS 40 0.106 7.301 20.073
256 HD2 LYS 40 HD2 LYS 40 -0.777 7.818 22.188
257 HD3 LYS 40 HD1 LYS 40 -1.072 6.108 21.907
258 HE2 LYS 40 HE2 LYS 40 1.166 7.234 23.627
259 HE3 LYS 40 HE1 LYS 40 -0.357 6.622 24.250
260 HZ1 LYS 40 HZ1 LYS 40 0.279 4.419 23.244
261 HZ2 LYS 40 HZ2 LYS 40 1.260 4.949 24.509
262 HZ3 LYS 40 HZ3 LYS 40 1.813 5.079 22.925
263 H ALA 41 HN ALA 41 -1.851 5.079 20.516
264 HA ALA 41 HA ALA 41 -2.301 3.351 22.814
265 HB1 ALA 41 HB1 ALA 41 -3.937 4.985 21.213
266 HB2 ALA 41 HB2 ALA 41 -3.202 5.464 22.819
267 HB3 ALA 41 HB3 ALA 41 -4.501 4.172 22.684
268 H ILE 42 HN ILE 42 -3.189 3.465 19.397
269 HA ILE 42 HA ILE 42 -5.165 1.336 19.604
270 HB ILE 42 HB ILE 42 -3.521 2.679 17.476
271 HG12 ILE 42 HG12 ILE 42 -6.468 2.604 17.822
272 HG13 ILE 42 HG11 ILE 42 -5.301 3.584 18.756
273 HG21 ILE 42 HG21 ILE 42 -4.760 1.427 15.792
274 HG22 ILE 42 HG22 ILE 42 -5.479 0.445 17.104
275 HG23 ILE 42 HG23 ILE 42 -3.707 0.497 16.871
276 HD11 ILE 42 HD11 ILE 42 -4.637 4.712 17.142
277 HD12 ILE 42 HD12 ILE 42 -6.369 4.672 16.693
278 HD13 ILE 42 HD13 ILE 42 -5.157 3.681 15.807
279 H VAL 43 HN VAL 43 -2.043 1.837 18.933
280 HA VAL 43 HA VAL 43 -0.872 -0.630 18.574
281 HB VAL 43 HB VAL 43 0.130 1.723 20.087
282 HG11 VAL 43 HG11 VAL 43 2.426 0.926 19.690
283 HG12 VAL 43 HG12 VAL 43 1.806 -0.506 18.886
284 HG13 VAL 43 HG13 VAL 43 1.525 -0.280 20.617
285 HG21 VAL 43 HG21 VAL 43 1.229 2.291 17.957
286 HG22 VAL 43 HG22 VAL 43 -0.540 2.228 17.958
287 HG23 VAL 43 HG23 VAL 43 0.408 0.917 17.199
288 H LYS 44 HN LYS 44 -2.024 0.873 21.529
289 HA LYS 44 HA LYS 44 -0.788 -0.526 23.587
290 HB2 LYS 44 HB2 LYS 44 -3.396 0.619 23.174
291 HB3 LYS 44 HB1 LYS 44 -3.255 -0.377 24.621
292 HG2 LYS 44 HG2 LYS 44 -1.424 1.945 23.998
293 HG3 LYS 44 HG1 LYS 44 -2.952 2.165 24.856
294 HD2 LYS 44 HD2 LYS 44 -0.632 0.435 25.737
295 HD3 LYS 44 HD1 LYS 44 -1.048 2.016 26.395
296 HE2 LYS 44 HE2 LYS 44 -2.706 -0.522 26.582
297 HE3 LYS 44 HE1 LYS 44 -1.849 0.277 27.886
298 HZ1 LYS 44 HZ1 LYS 44 -4.224 1.324 26.418
299 HZ2 LYS 44 HZ2 LYS 44 -3.436 2.244 27.509
300 HZ3 LYS 44 HZ3 LYS 44 -4.216 0.823 27.993
301 H SER 45 HN SER 45 -3.552 -1.573 21.829
302 HA SER 45 HA SER 45 -3.062 -4.264 22.933
303 HB2 SER 45 HB2 SER 45 -5.809 -3.153 22.354
304 HB3 SER 45 HB1 SER 45 -5.447 -4.756 22.993
305 HG SER 45 HG SER 45 -4.142 -3.145 24.509
306 H GLY 46 HN GLY 46 -2.133 -3.141 20.360
307 HA2 GLY 46 HA2 GLY 46 -1.486 -4.407 18.695
308 HA3 GLY 46 HA1 GLY 46 -2.847 -5.533 19.080
309 H GLY 47 HN GLY 47 -3.457 -2.254 18.507
310 HA2 GLY 47 HA2 GLY 47 -4.382 -1.237 16.632
311 HA3 GLY 47 HA1 GLY 47 -4.083 -2.708 15.724
312 H LYS 48 HN LYS 48 -5.441 -3.958 18.227
313 HA LYS 48 HA LYS 48 -7.921 -4.326 17.018
314 HB2 LYS 48 HB2 LYS 48 -6.999 -4.932 19.748
315 HB3 LYS 48 HB1 LYS 48 -8.391 -5.712 18.976
316 HG2 LYS 48 HG2 LYS 48 -5.459 -5.968 18.219
317 HG3 LYS 48 HG1 LYS 48 -6.514 -7.244 18.826
318 HD2 LYS 48 HD2 LYS 48 -7.871 -7.082 16.756
319 HD3 LYS 48 HD1 LYS 48 -6.788 -5.765 16.257
320 HE2 LYS 48 HE2 LYS 48 -5.689 -8.490 16.851
321 HE3 LYS 48 HE1 LYS 48 -6.368 -8.123 15.269
322 HZ1 LYS 48 HZ1 LYS 48 -4.770 -6.478 14.895
323 HZ2 LYS 48 HZ2 LYS 48 -3.874 -7.754 15.474
324 HZ3 LYS 48 HZ3 LYS 48 -4.228 -6.423 16.463
325 H ILE 49 HN ILE 49 -6.907 -1.956 19.268
326 HA ILE 49 HA ILE 49 -9.415 -1.455 20.509
327 HB ILE 49 HB ILE 49 -7.045 0.390 20.160
328 HG12 ILE 49 HG12 ILE 49 -7.772 -1.453 22.417
329 HG13 ILE 49 HG11 ILE 49 -6.596 -1.802 21.151
330 HG21 ILE 49 HG21 ILE 49 -9.137 1.580 20.881
331 HG22 ILE 49 HG22 ILE 49 -7.882 1.579 22.113
332 HG23 ILE 49 HG23 ILE 49 -9.239 0.468 22.250
333 HD11 ILE 49 HD11 ILE 49 -5.561 -1.053 23.200
334 HD12 ILE 49 HD12 ILE 49 -6.434 0.495 23.049
335 HD13 ILE 49 HD13 ILE 49 -5.282 -0.027 21.797
336 H SER 50 HN SER 50 -10.785 0.358 20.189
337 HA SER 50 HA SER 50 -10.912 1.329 17.430
338 HB2 SER 50 HB2 SER 50 -13.218 0.355 19.136
339 HB3 SER 50 HB1 SER 50 -13.297 0.906 17.461
340 HG SER 50 HG SER 50 -11.483 -1.062 17.673
341 H LEU 51 HN LEU 51 -12.813 3.275 17.565
342 HA LEU 51 HA LEU 51 -11.978 4.851 19.573
343 HB2 LEU 51 HB2 LEU 51 -12.037 5.382 17.276
344 HB3 LEU 51 HB1 LEU 51 -13.768 5.064 17.276
345 HG LEU 51 HG LEU 51 -13.988 6.623 19.107
346 HD11 LEU 51 HD11 LEU 51 -12.035 6.670 20.017
347 HD12 LEU 51 HD12 LEU 51 -11.991 8.239 19.136
348 HD13 LEU 51 HD13 LEU 51 -11.202 6.727 18.492
349 HD21 LEU 51 HD21 LEU 51 -12.815 7.757 16.668
350 HD22 LEU 51 HD22 LEU 51 -14.073 8.376 17.862
351 HD23 LEU 51 HD23 LEU 51 -14.378 6.908 16.844
352 H LYS 52 HN LYS 52 -13.331 5.530 21.194
353 HA LYS 52 HA LYS 52 -16.126 4.705 21.166
354 HB2 LYS 52 HB2 LYS 52 -14.872 6.505 23.102
355 HB3 LYS 52 HB1 LYS 52 -16.306 5.497 23.374
356 HG2 LYS 52 HG2 LYS 52 -14.646 3.573 23.034
357 HG3 LYS 52 HG1 LYS 52 -13.499 4.927 23.198
358 HD2 LYS 52 HD2 LYS 52 -15.560 4.243 25.330
359 HD3 LYS 52 HD1 LYS 52 -13.934 3.589 25.385
360 HE2 LYS 52 HE2 LYS 52 -13.922 5.450 26.839
361 HE3 LYS 52 HE1 LYS 52 -13.125 6.008 25.374
362 HZ1 LYS 52 HZ1 LYS 52 -15.237 7.078 24.724
363 HZ2 LYS 52 HZ2 LYS 52 -14.629 7.666 26.151
364 HZ3 LYS 52 HZ3 LYS 52 -15.938 6.604 26.185
365 H HIS 53 HN HIS 53 -14.252 7.491 21.176
366 HA HIS 53 HA HIS 53 -16.739 9.029 20.471
367 HB2 HIS 53 HB2 HIS 53 -14.626 10.161 22.323
368 HB3 HIS 53 HB1 HIS 53 -15.985 11.016 21.684
369 HD1 HIS 53 HD1 HIS 53 -16.535 11.535 24.210
370 HD2 HIS 53 HD2 HIS 53 -16.900 7.557 23.093
371 HE1 HIS 53 HE1 HIS 53 -17.783 10.395 26.086
372 HA PRO 54 HA PRO 54 -14.040 11.145 17.559
373 HB2 PRO 54 HB2 PRO 54 -16.484 12.510 16.710
374 HB3 PRO 54 HB1 PRO 54 -15.509 11.374 15.755
375 HG2 PRO 54 HG2 PRO 54 -18.012 10.792 16.582
376 HG3 PRO 54 HG1 PRO 54 -16.751 9.567 16.335
377 HD2 PRO 54 HD2 PRO 54 -17.709 10.773 18.893
378 HD3 PRO 54 HD1 PRO 54 -17.263 9.091 18.517
379 H GLY 55 HN GLY 55 -13.060 12.664 18.739
380 HA2 GLY 55 HA2 GLY 55 -13.091 14.933 19.706
381 HA3 GLY 55 HA1 GLY 55 -14.716 14.576 20.263
382 H LYS 56 HN LYS 56 -13.188 15.335 22.250
383 HA LYS 56 HA LYS 56 -11.787 13.243 23.452
384 HB2 LYS 56 HB2 LYS 56 -11.478 14.784 25.226
385 HB3 LYS 56 HB1 LYS 56 -11.511 15.734 23.727
386 HG2 LYS 56 HG2 LYS 56 -13.671 16.498 24.153
387 HG3 LYS 56 HG1 LYS 56 -13.912 15.368 25.487
388 HD2 LYS 56 HD2 LYS 56 -11.863 16.550 26.558
389 HD3 LYS 56 HD1 LYS 56 -12.205 17.840 25.406
390 HE2 LYS 56 HE2 LYS 56 -13.284 18.346 27.509
391 HE3 LYS 56 HE1 LYS 56 -14.513 17.973 26.303
392 HZ1 LYS 56 HZ1 LYS 56 -14.910 16.866 28.530
393 HZ2 LYS 56 HZ2 LYS 56 -13.552 15.889 28.240
394 HZ3 LYS 56 HZ3 LYS 56 -14.824 15.779 27.282
395 H CYS 57 HN CYS 57 -12.347 12.605 25.618
396 HA CYS 57 HA CYS 57 -15.175 12.168 25.990
397 HB2 CYS 57 HB2 CYS 57 -12.711 11.137 27.381
398 HB3 CYS 57 HB1 CYS 57 -14.279 11.040 28.181
Start of MODEL 6
1 H GLN 1 HT1 GLN 1 3.329 2.528 6.979
2 HA GLN 1 HA GLN 1 5.946 1.800 8.059
3 HB2 GLN 1 HB2 GLN 1 5.692 -0.204 6.611
4 HB3 GLN 1 HB1 GLN 1 4.499 -0.139 7.899
5 HG2 GLN 1 HG2 GLN 1 2.837 0.693 6.312
6 HG3 GLN 1 HG1 GLN 1 4.036 0.626 5.027
7 HE21 GLN 1 HE21 GLN 1 1.480 -0.695 5.301
8 HE22 GLN 1 HE22 GLN 1 1.831 -2.387 5.137
9 H GLY 2 HN GLY 2 4.065 3.162 5.356
10 HA2 GLY 2 HA2 GLY 2 6.600 3.472 3.885
11 HA3 GLY 2 HA1 GLY 2 4.996 3.465 3.154
12 H GLY 3 HN GLY 3 3.786 5.311 3.134
13 HA2 GLY 3 HA2 GLY 3 5.154 7.800 3.676
14 HA3 GLY 3 HA1 GLY 3 3.504 7.623 3.060
15 H GLN 4 HN GLN 4 5.434 8.157 5.738
16 HA GLN 4 HA GLN 4 4.361 6.893 7.870
17 HB2 GLN 4 HB2 GLN 4 5.563 8.455 9.314
18 HB3 GLN 4 HB1 GLN 4 6.508 7.865 7.950
19 HG2 GLN 4 HG2 GLN 4 6.214 9.937 6.776
20 HG3 GLN 4 HG1 GLN 4 5.121 10.531 8.025
21 HE21 GLN 4 HE21 GLN 4 5.958 11.122 10.005
22 HE22 GLN 4 HE22 GLN 4 7.649 11.455 10.214
23 H VAL 5 HN VAL 5 2.204 7.891 6.757
24 HA VAL 5 HA VAL 5 0.881 9.051 9.134
25 HB VAL 5 HB VAL 5 -0.344 8.622 6.413
26 HG11 VAL 5 HG11 VAL 5 -2.230 9.858 7.271
27 HG12 VAL 5 HG12 VAL 5 -1.287 10.304 8.709
28 HG13 VAL 5 HG13 VAL 5 -1.707 8.610 8.447
29 HG21 VAL 5 HG21 VAL 5 0.713 11.203 7.586
30 HG22 VAL 5 HG22 VAL 5 -0.058 11.002 5.994
31 HG23 VAL 5 HG23 VAL 5 1.484 10.193 6.365
32 H ASP 6 HN ASP 6 1.449 6.454 7.246
33 HA ASP 6 HA ASP 6 -0.872 4.978 8.007
34 HB2 ASP 6 HB2 ASP 6 0.060 3.137 6.675
35 HB3 ASP 6 HB1 ASP 6 0.026 4.636 5.755
36 H CYS 7 HN CYS 7 -0.291 5.540 10.130
37 HA CYS 7 HA CYS 7 0.805 5.290 12.243
38 HB2 CYS 7 HB2 CYS 7 -0.756 3.113 11.326
39 HB3 CYS 7 HB1 CYS 7 0.003 2.850 12.942
40 H GLY 8 HN GLY 8 2.823 5.533 12.550
41 HA2 GLY 8 HA2 GLY 8 4.770 3.829 11.503
42 HA3 GLY 8 HA1 GLY 8 5.030 4.971 12.842
43 H GLU 9 HN GLU 9 2.893 3.538 14.286
44 HA GLU 9 HA GLU 9 4.254 1.555 15.714
45 HB2 GLU 9 HB2 GLU 9 1.476 2.468 15.290
46 HB3 GLU 9 HB1 GLU 9 1.853 1.155 16.411
47 HG2 GLU 9 HG2 GLU 9 3.192 3.805 16.647
48 HG3 GLU 9 HG1 GLU 9 1.546 3.590 17.246
49 H PHE 10 HN PHE 10 1.549 1.498 13.447
50 HA PHE 10 HA PHE 10 0.453 0.069 12.508
51 HB2 PHE 10 HB2 PHE 10 1.292 -1.083 10.720
52 HB3 PHE 10 HB1 PHE 10 1.719 0.637 10.799
53 HD1 PHE 10 HD1 PHE 10 4.120 1.284 11.205
54 HD2 PHE 10 HD2 PHE 10 3.032 -2.779 10.580
55 HE1 PHE 10 HE1 PHE 10 6.477 0.719 10.794
56 HE2 PHE 10 HE2 PHE 10 5.387 -3.353 10.177
57 HZ PHE 10 HZ PHE 10 7.115 -1.602 10.282
58 H GLN 11 HN GLN 11 -0.311 -0.829 13.803
59 HA GLN 11 HA GLN 11 0.262 -3.352 14.915
60 HB2 GLN 11 HB2 GLN 11 -2.059 -3.481 15.592
61 HB3 GLN 11 HB1 GLN 11 -1.407 -1.808 15.566
62 HG2 GLN 11 HG2 GLN 11 -2.625 -1.183 13.762
63 HG3 GLN 11 HG1 GLN 11 -3.104 -2.836 13.365
64 HE21 GLN 11 HE21 GLN 11 -5.305 -2.412 13.450
65 HE22 GLN 11 HE22 GLN 11 -6.118 -2.090 14.940
66 H ASP 12 HN ASP 12 -1.433 -2.474 12.271
67 HA ASP 12 HA ASP 12 -0.903 -4.887 10.806
68 HB2 ASP 12 HB2 ASP 12 -3.172 -4.901 11.782
69 HB3 ASP 12 HB1 ASP 12 -3.412 -3.342 11.001
70 H THR 13 HN THR 13 -0.939 -4.412 8.799
71 HA THR 13 HA THR 13 0.721 -2.476 7.851
72 HB THR 13 HB THR 13 -0.006 -3.348 5.621
73 HG1 THR 13 HG1 THR 13 -1.665 -4.940 7.340
74 HG21 THR 13 HG21 THR 13 1.912 -4.251 6.864
75 HG22 THR 13 HG22 THR 13 1.044 -5.548 6.044
76 HG23 THR 13 HG23 THR 13 0.827 -5.299 7.777
77 H LYS 14 HN LYS 14 -2.927 -2.521 7.273
78 HA LYS 14 HA LYS 14 -2.647 -0.215 5.628
79 HB2 LYS 14 HB2 LYS 14 -4.798 -0.853 4.839
80 HB3 LYS 14 HB1 LYS 14 -3.825 -2.301 5.165
81 HG2 LYS 14 HG2 LYS 14 -5.464 -1.406 7.333
82 HG3 LYS 14 HG1 LYS 14 -6.409 -2.121 5.988
83 HD2 LYS 14 HD2 LYS 14 -4.252 -3.315 7.784
84 HD3 LYS 14 HD1 LYS 14 -5.955 -3.681 7.781
85 HE2 LYS 14 HE2 LYS 14 -5.779 -4.703 5.576
86 HE3 LYS 14 HE1 LYS 14 -4.060 -4.305 5.515
87 HZ1 LYS 14 HZ1 LYS 14 -5.312 -6.051 7.570
88 HZ2 LYS 14 HZ2 LYS 14 -3.745 -5.646 7.524
89 HZ3 LYS 14 HZ3 LYS 14 -4.368 -6.627 6.278
90 H VAL 15 HN VAL 15 -2.596 -0.375 8.798
91 HA VAL 15 HA VAL 15 -4.905 1.254 9.390
92 HB VAL 15 HB VAL 15 -2.670 0.370 11.214
93 HG11 VAL 15 HG11 VAL 15 -3.830 2.350 12.059
94 HG12 VAL 15 HG12 VAL 15 -4.216 0.943 13.049
95 HG13 VAL 15 HG13 VAL 15 -5.383 1.536 11.867
96 HG21 VAL 15 HG21 VAL 15 -5.420 -0.805 10.823
97 HG22 VAL 15 HG22 VAL 15 -4.233 -1.339 12.020
98 HG23 VAL 15 HG23 VAL 15 -3.893 -1.505 10.294
99 H TYR 16 HN TYR 16 -4.732 3.195 8.702
100 HA TYR 16 HA TYR 16 -2.286 4.705 9.176
101 HB2 TYR 16 HB2 TYR 16 -2.996 6.191 7.353
102 HB3 TYR 16 HB1 TYR 16 -2.939 4.530 6.779
103 HD1 TYR 16 HD1 TYR 16 -5.113 3.272 6.473
104 HD2 TYR 16 HD2 TYR 16 -5.010 7.446 7.291
105 HE1 TYR 16 HE1 TYR 16 -7.442 3.477 5.714
106 HE2 TYR 16 HE2 TYR 16 -7.335 7.659 6.536
107 HH TYR 16 HH TYR 16 -8.917 6.450 5.089
108 H CYS 17 HN CYS 17 -2.454 6.736 10.013
109 HA CYS 17 HA CYS 17 -4.841 7.308 11.639
110 HB2 CYS 17 HB2 CYS 17 -3.326 8.592 13.035
111 HB3 CYS 17 HB1 CYS 17 -2.593 7.040 12.656
112 H THR 18 HN THR 18 -4.492 9.840 12.009
113 HA THR 18 HA THR 18 -6.000 10.896 9.882
114 HB THR 18 HB THR 18 -5.587 12.953 11.385
115 HG1 THR 18 HG1 THR 18 -3.918 11.978 12.500
116 HG21 THR 18 HG21 THR 18 -7.598 11.757 11.054
117 HG22 THR 18 HG22 THR 18 -7.356 12.054 12.820
118 HG23 THR 18 HG23 THR 18 -6.967 10.459 12.099
119 H ARG 19 HN ARG 19 -5.553 12.365 8.482
120 HA ARG 19 HA ARG 19 -2.828 13.445 8.157
121 HB2 ARG 19 HB2 ARG 19 -5.201 14.181 6.473
122 HB3 ARG 19 HB1 ARG 19 -3.516 14.019 5.984
123 HG2 ARG 19 HG2 ARG 19 -3.699 11.584 6.208
124 HG3 ARG 19 HG1 ARG 19 -5.364 11.896 6.769
125 HD2 ARG 19 HD2 ARG 19 -4.367 12.687 4.033
126 HD3 ARG 19 HD1 ARG 19 -5.206 11.166 4.342
127 HE ARG 19 HE ARG 19 -6.779 13.188 5.409
128 HH11 ARG 19 HH11 ARG 19 -5.715 12.252 2.173
129 HH12 ARG 19 HH12 ARG 19 -7.089 12.913 1.398
130 HH21 ARG 19 HH21 ARG 19 -8.479 14.015 4.491
131 HH22 ARG 19 HH22 ARG 19 -8.827 14.009 2.803
132 H GLU 20 HN GLU 20 -6.036 13.982 8.903
133 HA GLU 20 HA GLU 20 -5.956 16.828 9.439
134 HB2 GLU 20 HB2 GLU 20 -7.991 14.695 9.973
135 HB3 GLU 20 HB1 GLU 20 -8.321 16.430 10.036
136 HG2 GLU 20 HG2 GLU 20 -9.314 15.671 8.050
137 HG3 GLU 20 HG1 GLU 20 -7.786 16.350 7.509
138 H SER 21 HN SER 21 -7.392 16.984 11.767
139 HA SER 21 HA SER 21 -6.225 15.051 13.527
140 HB2 SER 21 HB2 SER 21 -6.495 17.963 14.232
141 HB3 SER 21 HB1 SER 21 -6.066 16.583 15.283
142 HG SER 21 HG SER 21 -4.604 16.747 12.964
143 H ASN 22 HN ASN 22 -7.581 13.921 14.126
144 HA ASN 22 HA ASN 22 -10.360 14.784 14.626
145 HB2 ASN 22 HB2 ASN 22 -9.946 13.129 12.718
146 HB3 ASN 22 HB1 ASN 22 -9.438 11.986 13.954
147 HD21 ASN 22 HD21 ASN 22 -11.659 11.850 12.050
148 HD22 ASN 22 HD22 ASN 22 -13.087 11.655 13.012
149 HA PRO 23 HA PRO 23 -8.731 13.621 18.675
150 HB2 PRO 23 HB2 PRO 23 -10.721 14.741 20.151
151 HB3 PRO 23 HB1 PRO 23 -9.377 15.683 19.483
152 HG2 PRO 23 HG2 PRO 23 -12.156 15.458 18.474
153 HG3 PRO 23 HG1 PRO 23 -11.064 16.857 18.494
154 HD2 PRO 23 HD2 PRO 23 -11.548 15.337 16.283
155 HD3 PRO 23 HD1 PRO 23 -10.059 16.266 16.543
156 H HIS 24 HN HIS 24 -9.312 12.069 20.254
157 HA HIS 24 HA HIS 24 -11.773 10.453 19.947
158 HB2 HIS 24 HB2 HIS 24 -8.989 9.361 19.558
159 HB3 HIS 24 HB1 HIS 24 -10.486 8.466 19.670
160 HD1 HIS 24 HD1 HIS 24 -12.168 9.765 17.444
161 HD2 HIS 24 HD2 HIS 24 -8.101 9.059 17.098
162 HE1 HIS 24 HE1 HIS 24 -11.708 9.555 14.980
163 H CYS 25 HN CYS 25 -12.350 10.023 21.676
164 HA CYS 25 HA CYS 25 -10.425 9.555 23.850
165 HB2 CYS 25 HB2 CYS 25 -12.384 11.078 24.400
166 HB3 CYS 25 HB1 CYS 25 -13.414 9.672 24.042
167 H GLY 26 HN GLY 26 -9.783 7.529 23.602
168 HA2 GLY 26 HA2 GLY 26 -11.373 5.568 22.357
169 HA3 GLY 26 HA1 GLY 26 -9.846 5.334 23.197
170 H SER 27 HN SER 27 -12.017 3.684 23.307
171 HA SER 27 HA SER 27 -13.541 3.974 25.580
172 HB2 SER 27 HB2 SER 27 -12.569 1.384 24.352
173 HB3 SER 27 HB1 SER 27 -13.913 1.521 25.490
174 HG SER 27 HG SER 27 -15.055 1.841 23.738
175 H ASP 28 HN ASP 28 -10.202 3.253 25.208
176 HA ASP 28 HA ASP 28 -9.576 2.073 27.760
177 HB2 ASP 28 HB2 ASP 28 -7.321 2.300 27.016
178 HB3 ASP 28 HB1 ASP 28 -8.259 1.654 25.674
179 H GLY 29 HN GLY 29 -10.233 5.078 26.657
180 HA2 GLY 29 HA2 GLY 29 -10.739 6.642 28.494
181 HA3 GLY 29 HA1 GLY 29 -9.317 5.932 29.293
182 H GLN 30 HN GLN 30 -8.007 5.781 26.788
183 HA GLN 30 HA GLN 30 -6.771 8.261 27.092
184 HB2 GLN 30 HB2 GLN 30 -6.260 6.203 25.024
185 HB3 GLN 30 HB1 GLN 30 -5.363 7.727 25.139
186 HG2 GLN 30 HG2 GLN 30 -4.942 7.363 27.310
187 HG3 GLN 30 HG1 GLN 30 -5.838 5.802 27.244
188 HE21 GLN 30 HE21 GLN 30 -4.909 4.147 25.932
189 HE22 GLN 30 HE22 GLN 30 -3.227 3.972 25.611
190 H THR 31 HN THR 31 -6.769 9.924 26.205
191 HA THR 31 HA THR 31 -8.485 10.348 23.852
192 HB THR 31 HB THR 31 -7.948 12.354 26.027
193 HG1 THR 31 HG1 THR 31 -9.555 10.547 26.304
194 HG21 THR 31 HG21 THR 31 -8.086 13.465 23.838
195 HG22 THR 31 HG22 THR 31 -9.639 13.747 24.712
196 HG23 THR 31 HG23 THR 31 -9.537 12.568 23.441
197 H TYR 32 HN TYR 32 -7.555 11.054 22.187
198 HA TYR 32 HA TYR 32 -5.234 12.682 22.555
199 HB2 TYR 32 HB2 TYR 32 -5.359 10.249 20.848
200 HB3 TYR 32 HB1 TYR 32 -4.249 11.575 20.502
201 HD1 TYR 32 HD2 TYR 32 -2.589 12.260 22.214
202 HD2 TYR 32 HD1 TYR 32 -4.889 8.709 22.606
203 HE1 TYR 32 HE2 TYR 32 -1.019 11.447 23.908
204 HE2 TYR 32 HE1 TYR 32 -3.324 7.889 24.309
205 HH TYR 32 HH TYR 32 -1.054 9.867 25.799
206 H GLY 33 HN GLY 33 -4.693 13.851 20.919
207 HA2 GLY 33 HA2 GLY 33 -6.820 15.454 19.916
208 HA3 GLY 33 HA1 GLY 33 -5.127 15.701 19.544
209 H ASN 34 HN ASN 34 -5.062 12.829 18.360
210 HA ASN 34 HA ASN 34 -6.924 12.975 16.277
211 HB2 ASN 34 HB2 ASN 34 -5.326 13.128 14.389
212 HB3 ASN 34 HB1 ASN 34 -5.381 14.594 15.349
213 HD21 ASN 34 HD21 ASN 34 -3.417 15.303 14.623
214 HD22 ASN 34 HD22 ASN 34 -1.929 14.563 15.075
215 H LYS 35 HN LYS 35 -6.471 11.204 14.659
216 HA LYS 35 HA LYS 35 -6.409 8.794 16.078
217 HB2 LYS 35 HB2 LYS 35 -7.512 9.254 13.836
218 HB3 LYS 35 HB1 LYS 35 -5.850 9.107 13.225
219 HG2 LYS 35 HG2 LYS 35 -5.746 6.793 13.931
220 HG3 LYS 35 HG1 LYS 35 -7.350 6.910 14.656
221 HD2 LYS 35 HD2 LYS 35 -8.329 7.310 12.471
222 HD3 LYS 35 HD1 LYS 35 -6.755 7.238 11.699
223 HE2 LYS 35 HE2 LYS 35 -6.564 4.889 12.683
224 HE3 LYS 35 HE1 LYS 35 -8.281 5.029 13.060
225 HZ1 LYS 35 HZ1 LYS 35 -7.012 5.212 10.410
226 HZ2 LYS 35 HZ2 LYS 35 -8.671 5.462 10.660
227 HZ3 LYS 35 HZ3 LYS 35 -7.981 3.934 10.940
228 H CYS 36 HN CYS 36 -4.096 10.349 14.401
229 HA CYS 36 HA CYS 36 -1.974 8.464 14.325
230 HB2 CYS 36 HB2 CYS 36 -2.047 11.356 14.616
231 HB3 CYS 36 HB1 CYS 36 -0.437 10.575 14.496
232 H ALA 37 HN ALA 37 -2.976 10.560 16.688
233 HA ALA 37 HA ALA 37 -0.815 10.110 18.567
234 HB1 ALA 37 HB1 ALA 37 -2.288 11.589 20.046
235 HB2 ALA 37 HB2 ALA 37 -3.440 11.497 18.695
236 HB3 ALA 37 HB3 ALA 37 -1.888 12.247 18.447
237 H PHE 38 HN PHE 38 -4.164 9.184 18.270
238 HA PHE 38 HA PHE 38 -4.163 7.511 20.650
239 HB2 PHE 38 HB2 PHE 38 -6.209 8.760 20.043
240 HB3 PHE 38 HB1 PHE 38 -6.240 7.960 18.487
241 HD1 PHE 38 HD1 PHE 38 -5.924 6.765 22.019
242 HD2 PHE 38 HD2 PHE 38 -8.026 6.578 18.326
243 HE1 PHE 38 HE1 PHE 38 -7.391 5.028 22.941
244 HE2 PHE 38 HE2 PHE 38 -9.492 4.837 19.243
245 HZ PHE 38 HZ PHE 38 -9.173 4.058 21.546
246 H CYS 39 HN CYS 39 -3.107 7.016 17.527
247 HA CYS 39 HA CYS 39 -3.999 4.391 16.918
248 HB2 CYS 39 HB2 CYS 39 -3.006 5.930 15.252
249 HB3 CYS 39 HB1 CYS 39 -1.462 5.785 16.073
250 H LYS 40 HN LYS 40 -1.299 5.489 18.875
251 HA LYS 40 HA LYS 40 -0.055 3.013 18.683
252 HB2 LYS 40 HB2 LYS 40 1.463 4.043 20.361
253 HB3 LYS 40 HB1 LYS 40 1.194 4.925 18.822
254 HG2 LYS 40 HG2 LYS 40 1.378 6.534 20.656
255 HG3 LYS 40 HG1 LYS 40 -0.264 6.492 20.014
256 HD2 LYS 40 HD2 LYS 40 -1.020 5.230 21.753
257 HD3 LYS 40 HD1 LYS 40 0.580 4.980 22.483
258 HE2 LYS 40 HE2 LYS 40 0.675 7.477 22.831
259 HE3 LYS 40 HE1 LYS 40 -0.986 7.573 22.250
260 HZ1 LYS 40 HZ1 LYS 40 -0.112 6.096 24.712
261 HZ2 LYS 40 HZ2 LYS 40 -1.710 6.243 24.173
262 HZ3 LYS 40 HZ3 LYS 40 -0.880 7.584 24.659
263 H ALA 41 HN ALA 41 -2.274 4.346 20.448
264 HA ALA 41 HA ALA 41 -2.143 2.756 22.859
265 HB1 ALA 41 HB1 ALA 41 -4.227 4.207 21.457
266 HB2 ALA 41 HB2 ALA 41 -3.299 4.828 22.852
267 HB3 ALA 41 HB3 ALA 41 -4.520 3.520 23.064
268 H ILE 42 HN ILE 42 -3.693 2.644 19.662
269 HA ILE 42 HA ILE 42 -5.546 0.575 20.293
270 HB ILE 42 HB ILE 42 -4.507 1.931 17.821
271 HG12 ILE 42 HG12 ILE 42 -7.183 2.055 19.110
272 HG13 ILE 42 HG11 ILE 42 -5.716 2.950 19.599
273 HG21 ILE 42 HG21 ILE 42 -6.311 0.839 16.606
274 HG22 ILE 42 HG22 ILE 42 -6.731 -0.076 18.077
275 HG23 ILE 42 HG23 ILE 42 -5.128 -0.277 17.312
276 HD11 ILE 42 HD11 ILE 42 -6.670 3.032 16.790
277 HD12 ILE 42 HD12 ILE 42 -5.517 4.003 17.771
278 HD13 ILE 42 HD13 ILE 42 -7.252 4.175 18.047
279 H VAL 43 HN VAL 43 -2.724 0.987 18.577
280 HA VAL 43 HA VAL 43 -2.125 -1.449 17.431
281 HB VAL 43 HB VAL 43 -0.246 0.416 18.770
282 HG11 VAL 43 HG11 VAL 43 1.502 -0.442 17.271
283 HG12 VAL 43 HG12 VAL 43 0.328 -1.374 16.374
284 HG13 VAL 43 HG13 VAL 43 0.717 -1.822 18.034
285 HG21 VAL 43 HG21 VAL 43 -0.070 1.521 16.551
286 HG22 VAL 43 HG22 VAL 43 -1.589 1.629 17.418
287 HG23 VAL 43 HG23 VAL 43 -1.454 0.522 16.026
288 H LYS 44 HN LYS 44 -1.134 -0.253 20.516
289 HA LYS 44 HA LYS 44 0.324 -2.580 21.154
290 HB2 LYS 44 HB2 LYS 44 -0.483 -0.198 22.558
291 HB3 LYS 44 HB1 LYS 44 0.440 -1.423 23.457
292 HG2 LYS 44 HG2 LYS 44 2.195 -1.242 21.587
293 HG3 LYS 44 HG1 LYS 44 1.323 0.177 21.022
294 HD2 LYS 44 HD2 LYS 44 1.783 1.340 23.085
295 HD3 LYS 44 HD1 LYS 44 2.500 -0.112 23.788
296 HE2 LYS 44 HE2 LYS 44 4.277 1.364 23.072
297 HE3 LYS 44 HE1 LYS 44 4.253 -0.048 22.024
298 HZ1 LYS 44 HZ1 LYS 44 2.998 1.367 20.363
299 HZ2 LYS 44 HZ2 LYS 44 4.503 1.880 20.602
300 HZ3 LYS 44 HZ3 LYS 44 3.242 2.679 21.335
301 H SER 45 HN SER 45 -2.732 -1.371 21.985
302 HA SER 45 HA SER 45 -3.245 -3.535 23.807
303 HB2 SER 45 HB2 SER 45 -5.154 -1.535 22.666
304 HB3 SER 45 HB1 SER 45 -5.454 -2.599 24.044
305 HG SER 45 HG SER 45 -3.850 -0.338 23.837
306 H GLY 46 HN GLY 46 -3.077 -3.558 20.476
307 HA2 GLY 46 HA2 GLY 46 -3.334 -5.339 19.300
308 HA3 GLY 46 HA1 GLY 46 -4.552 -5.983 20.469
309 H GLY 47 HN GLY 47 -4.999 -2.858 19.318
310 HA2 GLY 47 HA2 GLY 47 -6.485 -2.022 17.731
311 HA3 GLY 47 HA1 GLY 47 -6.644 -3.647 17.076
312 H LYS 48 HN LYS 48 -7.017 -4.210 20.090
313 HA LYS 48 HA LYS 48 -9.744 -4.700 20.054
314 HB2 LYS 48 HB2 LYS 48 -7.686 -4.637 22.116
315 HB3 LYS 48 HB1 LYS 48 -9.330 -5.133 22.516
316 HG2 LYS 48 HG2 LYS 48 -9.175 -7.119 21.381
317 HG3 LYS 48 HG1 LYS 48 -8.118 -6.444 20.151
318 HD2 LYS 48 HD2 LYS 48 -6.966 -8.178 21.440
319 HD3 LYS 48 HD1 LYS 48 -6.244 -6.587 21.654
320 HE2 LYS 48 HE2 LYS 48 -8.193 -7.735 23.651
321 HE3 LYS 48 HE1 LYS 48 -6.471 -8.087 23.734
322 HZ1 LYS 48 HZ1 LYS 48 -6.104 -5.654 23.797
323 HZ2 LYS 48 HZ2 LYS 48 -6.897 -6.254 25.166
324 HZ3 LYS 48 HZ3 LYS 48 -7.770 -5.423 23.971
325 H ILE 49 HN ILE 49 -8.135 -1.823 20.940
326 HA ILE 49 HA ILE 49 -10.261 -0.887 22.684
327 HB ILE 49 HB ILE 49 -8.214 0.768 21.231
328 HG12 ILE 49 HG12 ILE 49 -8.046 -0.272 24.037
329 HG13 ILE 49 HG11 ILE 49 -7.303 -1.079 22.657
330 HG21 ILE 49 HG21 ILE 49 -10.098 2.084 22.211
331 HG22 ILE 49 HG22 ILE 49 -8.590 2.400 23.062
332 HG23 ILE 49 HG23 ILE 49 -9.789 1.329 23.771
333 HD11 ILE 49 HD11 ILE 49 -6.043 0.802 22.171
334 HD12 ILE 49 HD12 ILE 49 -5.717 0.294 23.821
335 HD13 ILE 49 HD13 ILE 49 -6.726 1.742 23.506
336 H SER 50 HN SER 50 -11.833 0.614 22.187
337 HA SER 50 HA SER 50 -12.354 1.149 19.357
338 HB2 SER 50 HB2 SER 50 -14.390 0.670 21.544
339 HB3 SER 50 HB1 SER 50 -14.708 0.997 19.836
340 HG SER 50 HG SER 50 -13.039 -1.067 19.998
341 H LEU 51 HN LEU 51 -13.982 3.301 19.331
342 HA LEU 51 HA LEU 51 -12.788 5.042 21.004
343 HB2 LEU 51 HB2 LEU 51 -12.929 5.205 18.650
344 HB3 LEU 51 HB1 LEU 51 -14.683 5.157 18.784
345 HG LEU 51 HG LEU 51 -14.554 7.013 20.325
346 HD11 LEU 51 HD11 LEU 51 -12.380 8.287 20.060
347 HD12 LEU 51 HD12 LEU 51 -11.798 6.597 19.595
348 HD13 LEU 51 HD13 LEU 51 -12.587 6.886 21.127
349 HD21 LEU 51 HD21 LEU 51 -15.041 6.989 18.049
350 HD22 LEU 51 HD22 LEU 51 -13.353 7.558 17.709
351 HD23 LEU 51 HD23 LEU 51 -14.501 8.512 18.788
352 H LYS 52 HN LYS 52 -13.952 6.189 22.544
353 HA LYS 52 HA LYS 52 -16.795 5.668 22.839
354 HB2 LYS 52 HB2 LYS 52 -15.310 7.830 24.159
355 HB3 LYS 52 HB1 LYS 52 -16.802 7.084 24.714
356 HG2 LYS 52 HG2 LYS 52 -15.231 5.054 25.056
357 HG3 LYS 52 HG1 LYS 52 -14.014 6.369 24.899
358 HD2 LYS 52 HD2 LYS 52 -15.201 7.659 26.653
359 HD3 LYS 52 HD1 LYS 52 -16.317 6.321 26.880
360 HE2 LYS 52 HE2 LYS 52 -14.770 6.210 28.652
361 HE3 LYS 52 HE1 LYS 52 -14.298 4.939 27.527
362 HZ1 LYS 52 HZ1 LYS 52 -13.045 7.632 27.657
363 HZ2 LYS 52 HZ2 LYS 52 -12.575 6.357 26.664
364 HZ3 LYS 52 HZ3 LYS 52 -12.410 6.213 28.334
365 H HIS 53 HN HIS 53 -14.666 8.187 22.199
366 HA HIS 53 HA HIS 53 -17.002 9.817 21.252
367 HB2 HIS 53 HB2 HIS 53 -14.850 10.931 23.051
368 HB3 HIS 53 HB1 HIS 53 -16.121 11.852 22.296
369 HD1 HIS 53 HD1 HIS 53 -15.827 12.103 25.231
370 HD2 HIS 53 HD2 HIS 53 -18.215 9.184 23.495
371 HE1 HIS 53 HE1 HIS 53 -17.485 11.403 27.006
372 HA PRO 54 HA PRO 54 -13.999 11.530 18.349
373 HB2 PRO 54 HB2 PRO 54 -16.201 13.192 17.397
374 HB3 PRO 54 HB1 PRO 54 -15.402 11.881 16.508
375 HG2 PRO 54 HG2 PRO 54 -17.981 11.747 17.331
376 HG3 PRO 54 HG1 PRO 54 -16.941 10.329 17.097
377 HD2 PRO 54 HD2 PRO 54 -17.702 11.693 19.639
378 HD3 PRO 54 HD1 PRO 54 -17.498 9.960 19.285
379 H GLY 55 HN GLY 55 -12.886 12.921 19.511
380 HA2 GLY 55 HA2 GLY 55 -12.665 15.213 20.470
381 HA3 GLY 55 HA1 GLY 55 -14.302 14.997 21.078
382 H LYS 56 HN LYS 56 -12.580 15.604 22.981
383 HA LYS 56 HA LYS 56 -11.347 13.353 24.099
384 HB2 LYS 56 HB2 LYS 56 -10.769 14.838 25.859
385 HB3 LYS 56 HB1 LYS 56 -10.787 15.796 24.364
386 HG2 LYS 56 HG2 LYS 56 -12.813 16.797 24.909
387 HG3 LYS 56 HG1 LYS 56 -13.121 15.683 26.241
388 HD2 LYS 56 HD2 LYS 56 -10.924 16.608 27.248
389 HD3 LYS 56 HD1 LYS 56 -11.128 17.934 26.104
390 HE2 LYS 56 HE2 LYS 56 -12.074 18.565 28.242
391 HE3 LYS 56 HE1 LYS 56 -13.371 18.372 27.066
392 HZ1 LYS 56 HZ1 LYS 56 -13.865 17.313 29.293
393 HZ2 LYS 56 HZ2 LYS 56 -12.651 16.167 28.976
394 HZ3 LYS 56 HZ3 LYS 56 -13.944 16.227 28.041
395 H CYS 57 HN CYS 57 -11.865 12.829 26.316
396 HA CYS 57 HA CYS 57 -14.736 12.661 26.768
397 HB2 CYS 57 HB2 CYS 57 -12.397 11.412 28.221
398 HB3 CYS 57 HB1 CYS 57 -13.996 11.454 28.957
Start of MODEL 7
1 H GLN 1 HT1 GLN 1 -3.389 1.307 8.472
2 HA GLN 1 HA GLN 1 -2.423 1.849 6.308
3 HB2 GLN 1 HB2 GLN 1 -1.294 0.254 7.783
4 HB3 GLN 1 HB1 GLN 1 -2.256 -1.060 7.123
5 HG2 GLN 1 HG2 GLN 1 0.052 -0.968 6.221
6 HG3 GLN 1 HG1 GLN 1 -1.194 -0.846 4.979
7 HE21 GLN 1 HE21 GLN 1 0.185 0.178 3.537
8 HE22 GLN 1 HE22 GLN 1 0.692 1.814 3.763
9 H GLY 2 HN GLY 2 -4.547 -1.039 6.129
10 HA2 GLY 2 HA2 GLY 2 -4.299 -1.298 3.312
11 HA3 GLY 2 HA1 GLY 2 -5.515 -2.059 4.327
12 H GLY 3 HN GLY 3 -6.655 0.273 5.374
13 HA2 GLY 3 HA2 GLY 3 -8.018 1.280 2.971
14 HA3 GLY 3 HA1 GLY 3 -8.673 1.297 4.610
15 H GLN 4 HN GLN 4 -7.493 2.630 6.195
16 HA GLN 4 HA GLN 4 -6.899 5.184 5.020
17 HB2 GLN 4 HB2 GLN 4 -7.328 6.033 7.211
18 HB3 GLN 4 HB1 GLN 4 -8.514 4.777 6.927
19 HG2 GLN 4 HG2 GLN 4 -6.069 4.591 8.688
20 HG3 GLN 4 HG1 GLN 4 -7.740 4.706 9.228
21 HE21 GLN 4 HE21 GLN 4 -5.702 2.813 9.899
22 HE22 GLN 4 HE22 GLN 4 -6.256 1.233 9.484
23 H VAL 5 HN VAL 5 -4.731 5.916 4.860
24 HA VAL 5 HA VAL 5 -2.840 4.107 6.079
25 HB VAL 5 HB VAL 5 -2.011 6.453 4.373
26 HG11 VAL 5 HG11 VAL 5 0.154 5.346 4.323
27 HG12 VAL 5 HG12 VAL 5 -0.550 3.900 5.036
28 HG13 VAL 5 HG13 VAL 5 -0.394 5.330 6.024
29 HG21 VAL 5 HG21 VAL 5 -1.798 4.843 2.528
30 HG22 VAL 5 HG22 VAL 5 -3.468 4.921 3.112
31 HG23 VAL 5 HG23 VAL 5 -2.438 3.565 3.568
32 H ASP 6 HN ASP 6 -3.921 5.036 7.963
33 HA ASP 6 HA ASP 6 -1.729 6.421 9.153
34 HB2 ASP 6 HB2 ASP 6 -3.333 7.343 10.882
35 HB3 ASP 6 HB1 ASP 6 -3.365 8.108 9.307
36 H CYS 7 HN CYS 7 -0.745 4.730 9.692
37 HA CYS 7 HA CYS 7 -0.467 2.654 10.328
38 HB2 CYS 7 HB2 CYS 7 -0.475 2.551 12.829
39 HB3 CYS 7 HB1 CYS 7 0.495 3.702 11.880
40 H GLY 8 HN GLY 8 -2.783 2.715 12.813
41 HA2 GLY 8 HA2 GLY 8 -4.432 1.256 13.349
42 HA3 GLY 8 HA1 GLY 8 -4.624 0.960 11.628
43 H GLU 9 HN GLU 9 -3.276 -0.569 10.658
44 HA GLU 9 HA GLU 9 -3.270 -3.014 12.102
45 HB2 GLU 9 HB2 GLU 9 -2.486 -2.107 9.507
46 HB3 GLU 9 HB1 GLU 9 -2.611 -3.858 9.836
47 HG2 GLU 9 HG2 GLU 9 -4.724 -3.568 8.908
48 HG3 GLU 9 HG1 GLU 9 -5.124 -2.885 10.483
49 H PHE 10 HN PHE 10 -0.950 -0.686 11.744
50 HA PHE 10 HA PHE 10 1.466 -2.038 11.030
51 HB2 PHE 10 HB2 PHE 10 0.925 0.431 12.564
52 HB3 PHE 10 HB1 PHE 10 2.525 -0.299 12.647
53 HD1 PHE 10 HD1 PHE 10 0.009 0.636 10.057
54 HD2 PHE 10 HD2 PHE 10 4.087 0.496 11.222
55 HE1 PHE 10 HE1 PHE 10 0.640 1.811 7.994
56 HE2 PHE 10 HE2 PHE 10 4.732 1.661 9.162
57 HZ PHE 10 HZ PHE 10 3.004 2.325 7.540
58 H GLN 11 HN GLN 11 0.075 -1.770 14.049
59 HA GLN 11 HA GLN 11 0.470 -2.649 16.162
60 HB2 GLN 11 HB2 GLN 11 1.749 -4.766 14.559
61 HB3 GLN 11 HB1 GLN 11 1.084 -4.997 16.205
62 HG2 GLN 11 HG2 GLN 11 -1.104 -4.428 15.339
63 HG3 GLN 11 HG1 GLN 11 -0.325 -4.113 13.782
64 HE21 GLN 11 HE21 GLN 11 -1.590 -5.625 12.701
65 HE22 GLN 11 HE22 GLN 11 -1.399 -7.341 12.914
66 H ASP 12 HN ASP 12 2.954 -2.091 14.272
67 HA ASP 12 HA ASP 12 5.333 -2.741 15.738
68 HB2 ASP 12 HB2 ASP 12 4.766 -2.318 13.175
69 HB3 ASP 12 HB1 ASP 12 5.096 -0.651 13.678
70 H THR 13 HN THR 13 6.598 -0.603 15.207
71 HA THR 13 HA THR 13 5.950 1.581 17.034
72 HB THR 13 HB THR 13 8.424 1.687 17.214
73 HG1 THR 13 HG1 THR 13 8.159 -0.700 15.758
74 HG21 THR 13 HG21 THR 13 7.052 0.801 19.036
75 HG22 THR 13 HG22 THR 13 8.525 -0.187 18.887
76 HG23 THR 13 HG23 THR 13 6.996 -0.734 18.166
77 H LYS 14 HN LYS 14 6.842 0.613 13.758
78 HA LYS 14 HA LYS 14 8.070 3.044 12.757
79 HB2 LYS 14 HB2 LYS 14 6.543 0.863 11.490
80 HB3 LYS 14 HB1 LYS 14 7.576 1.970 10.551
81 HG2 LYS 14 HG2 LYS 14 8.193 -0.107 12.537
82 HG3 LYS 14 HG1 LYS 14 8.502 -0.294 10.799
83 HD2 LYS 14 HD2 LYS 14 10.654 0.289 11.390
84 HD3 LYS 14 HD1 LYS 14 10.005 1.927 11.495
85 HE2 LYS 14 HE2 LYS 14 11.261 1.334 13.514
86 HE3 LYS 14 HE1 LYS 14 9.554 1.600 13.876
87 HZ1 LYS 14 HZ1 LYS 14 10.863 -1.086 13.600
88 HZ2 LYS 14 HZ2 LYS 14 9.213 -0.805 13.812
89 HZ3 LYS 14 HZ3 LYS 14 10.251 -0.365 15.017
90 H VAL 15 HN VAL 15 5.389 2.387 13.871
91 HA VAL 15 HA VAL 15 3.150 2.916 12.400
92 HB VAL 15 HB VAL 15 3.815 3.387 15.261
93 HG11 VAL 15 HG11 VAL 15 1.409 3.283 15.743
94 HG12 VAL 15 HG12 VAL 15 1.074 3.246 14.013
95 HG13 VAL 15 HG13 VAL 15 1.805 4.677 14.737
96 HG21 VAL 15 HG21 VAL 15 2.918 1.217 15.641
97 HG22 VAL 15 HG22 VAL 15 4.019 1.007 14.269
98 HG23 VAL 15 HG23 VAL 15 2.288 1.139 14.026
99 H TYR 16 HN TYR 16 3.020 4.559 11.155
100 HA TYR 16 HA TYR 16 3.477 7.307 12.036
101 HB2 TYR 16 HB2 TYR 16 2.649 6.341 9.292
102 HB3 TYR 16 HB1 TYR 16 3.091 7.981 9.763
103 HD1 TYR 16 HD1 TYR 16 5.508 8.262 10.735
104 HD2 TYR 16 HD2 TYR 16 4.269 4.959 8.358
105 HE1 TYR 16 HE1 TYR 16 7.853 7.808 10.154
106 HE2 TYR 16 HE2 TYR 16 6.612 4.492 7.775
107 HH TYR 16 HH TYR 16 9.217 5.932 9.403
108 H CYS 17 HN CYS 17 1.961 8.557 12.571
109 HA CYS 17 HA CYS 17 -0.849 7.623 12.707
110 HB2 CYS 17 HB2 CYS 17 -1.018 9.270 14.559
111 HB3 CYS 17 HB1 CYS 17 0.487 8.412 14.707
112 H THR 18 HN THR 18 -2.276 9.734 12.793
113 HA THR 18 HA THR 18 -2.711 10.270 10.056
114 HB THR 18 HB THR 18 -4.511 11.608 10.759
115 HG1 THR 18 HG1 THR 18 -3.824 12.601 12.589
116 HG21 THR 18 HG21 THR 18 -5.800 10.029 11.899
117 HG22 THR 18 HG22 THR 18 -4.335 9.075 12.302
118 HG23 THR 18 HG23 THR 18 -4.832 9.357 10.601
119 H ARG 19 HN ARG 19 -3.392 12.321 9.423
120 HA ARG 19 HA ARG 19 -1.722 14.478 10.414
121 HB2 ARG 19 HB2 ARG 19 -2.198 15.657 8.228
122 HB3 ARG 19 HB1 ARG 19 -1.209 14.223 8.093
123 HG2 ARG 19 HG2 ARG 19 -4.142 14.080 7.636
124 HG3 ARG 19 HG1 ARG 19 -3.101 14.694 6.335
125 HD2 ARG 19 HD2 ARG 19 -2.961 12.492 5.726
126 HD3 ARG 19 HD1 ARG 19 -1.876 12.317 7.102
127 HE ARG 19 HE ARG 19 -4.622 12.075 7.843
128 HH11 ARG 19 HH11 ARG 19 -1.894 10.140 6.646
129 HH12 ARG 19 HH12 ARG 19 -2.616 8.656 7.029
130 HH21 ARG 19 HH21 ARG 19 -5.601 10.157 8.344
131 HH22 ARG 19 HH22 ARG 19 -4.908 8.651 8.050
132 H GLU 20 HN GLU 20 -4.811 13.249 10.359
133 HA GLU 20 HA GLU 20 -6.440 15.474 10.631
134 HB2 GLU 20 HB2 GLU 20 -6.523 12.772 11.900
135 HB3 GLU 20 HB1 GLU 20 -7.884 13.897 12.046
136 HG2 GLU 20 HG2 GLU 20 -8.580 12.448 10.364
137 HG3 GLU 20 HG1 GLU 20 -7.805 13.703 9.403
138 H SER 21 HN SER 21 -6.951 16.756 12.352
139 HA SER 21 HA SER 21 -5.242 16.668 14.768
140 HB2 SER 21 HB2 SER 21 -5.305 18.658 13.210
141 HB3 SER 21 HB1 SER 21 -7.022 18.731 13.666
142 HG SER 21 HG SER 21 -6.278 18.952 15.874
143 H ASN 22 HN ASN 22 -7.719 15.482 13.859
144 HA ASN 22 HA ASN 22 -10.061 16.326 15.273
145 HB2 ASN 22 HB2 ASN 22 -9.444 13.623 14.122
146 HB3 ASN 22 HB1 ASN 22 -11.047 14.149 14.625
147 HD21 ASN 22 HD21 ASN 22 -11.966 13.908 12.594
148 HD22 ASN 22 HD22 ASN 22 -11.544 14.915 11.255
149 HA PRO 23 HA PRO 23 -8.820 14.443 19.237
150 HB2 PRO 23 HB2 PRO 23 -10.972 15.327 20.661
151 HB3 PRO 23 HB1 PRO 23 -9.587 16.369 20.287
152 HG2 PRO 23 HG2 PRO 23 -12.227 16.240 18.925
153 HG3 PRO 23 HG1 PRO 23 -11.242 17.655 19.349
154 HD2 PRO 23 HD2 PRO 23 -11.330 16.649 16.860
155 HD3 PRO 23 HD1 PRO 23 -9.878 17.426 17.523
156 H HIS 24 HN HIS 24 -9.541 12.658 20.485
157 HA HIS 24 HA HIS 24 -11.964 11.028 19.869
158 HB2 HIS 24 HB2 HIS 24 -9.142 10.235 19.086
159 HB3 HIS 24 HB1 HIS 24 -10.535 9.182 19.322
160 HD1 HIS 24 HD1 HIS 24 -9.575 12.080 16.945
161 HD2 HIS 24 HD2 HIS 24 -11.792 8.579 17.017
162 HE1 HIS 24 HE1 HIS 24 -10.438 11.740 14.617
163 H CYS 25 HN CYS 25 -12.551 10.390 21.445
164 HA CYS 25 HA CYS 25 -10.688 9.742 23.596
165 HB2 CYS 25 HB2 CYS 25 -12.860 11.116 24.040
166 HB3 CYS 25 HB1 CYS 25 -13.663 9.559 23.719
167 H GLY 26 HN GLY 26 -9.881 7.815 23.204
168 HA2 GLY 26 HA2 GLY 26 -11.329 6.133 21.367
169 HA3 GLY 26 HA1 GLY 26 -9.702 5.896 21.976
170 H SER 27 HN SER 27 -11.405 3.821 21.754
171 HA SER 27 HA SER 27 -12.521 3.380 24.189
172 HB2 SER 27 HB2 SER 27 -11.697 1.332 22.100
173 HB3 SER 27 HB1 SER 27 -12.713 0.958 23.495
174 HG SER 27 HG SER 27 -14.235 1.530 22.115
175 H ASP 28 HN ASP 28 -9.448 3.899 23.493
176 HA ASP 28 HA ASP 28 -7.701 2.238 25.035
177 HB2 ASP 28 HB2 ASP 28 -7.079 3.839 23.169
178 HB3 ASP 28 HB1 ASP 28 -7.674 5.149 24.163
179 H GLY 29 HN GLY 29 -10.093 4.460 25.495
180 HA2 GLY 29 HA2 GLY 29 -11.130 4.813 27.614
181 HA3 GLY 29 HA1 GLY 29 -9.536 4.549 28.350
182 H GLN 30 HN GLN 30 -8.141 5.932 26.457
183 HA GLN 30 HA GLN 30 -8.393 8.393 27.803
184 HB2 GLN 30 HB2 GLN 30 -6.238 7.367 26.058
185 HB3 GLN 30 HB1 GLN 30 -6.202 8.944 26.862
186 HG2 GLN 30 HG2 GLN 30 -6.601 8.015 28.853
187 HG3 GLN 30 HG1 GLN 30 -6.746 6.382 28.097
188 HE21 GLN 30 HE21 GLN 30 -4.816 5.451 27.279
189 HE22 GLN 30 HE22 GLN 30 -3.240 5.877 27.866
190 H THR 31 HN THR 31 -8.081 10.304 26.977
191 HA THR 31 HA THR 31 -9.318 10.693 24.340
192 HB THR 31 HB THR 31 -8.792 12.817 26.429
193 HG1 THR 31 HG1 THR 31 -10.659 11.063 26.459
194 HG21 THR 31 HG21 THR 31 -10.228 14.217 24.905
195 HG22 THR 31 HG22 THR 31 -10.161 12.931 23.711
196 HG23 THR 31 HG23 THR 31 -8.679 13.752 24.163
197 H TYR 32 HN TYR 32 -8.178 11.124 22.726
198 HA TYR 32 HA TYR 32 -5.581 12.202 23.256
199 HB2 TYR 32 HB2 TYR 32 -6.455 10.215 21.211
200 HB3 TYR 32 HB1 TYR 32 -4.954 11.138 21.052
201 HD1 TYR 32 HD1 TYR 32 -3.485 11.216 23.203
202 HD2 TYR 32 HD2 TYR 32 -6.329 8.172 22.359
203 HE1 TYR 32 HE1 TYR 32 -2.337 9.736 24.771
204 HE2 TYR 32 HE2 TYR 32 -5.183 6.677 23.936
205 HH TYR 32 HH TYR 32 -3.038 7.701 26.192
206 H GLY 33 HN GLY 33 -4.823 13.655 22.065
207 HA2 GLY 33 HA2 GLY 33 -6.524 15.795 21.458
208 HA3 GLY 33 HA1 GLY 33 -4.820 15.731 21.039
209 H ASN 34 HN ASN 34 -5.019 13.422 19.324
210 HA ASN 34 HA ASN 34 -6.970 14.151 17.405
211 HB2 ASN 34 HB2 ASN 34 -5.489 14.595 15.565
212 HB3 ASN 34 HB1 ASN 34 -5.129 15.693 16.867
213 HD21 ASN 34 HD21 ASN 34 -3.430 14.998 14.697
214 HD22 ASN 34 HD22 ASN 34 -1.982 14.345 15.384
215 H LYS 35 HN LYS 35 -6.782 12.731 15.501
216 HA LYS 35 HA LYS 35 -7.099 10.087 16.306
217 HB2 LYS 35 HB2 LYS 35 -8.149 11.274 14.358
218 HB3 LYS 35 HB1 LYS 35 -6.542 11.194 13.643
219 HG2 LYS 35 HG2 LYS 35 -6.747 8.865 13.193
220 HG3 LYS 35 HG1 LYS 35 -8.119 8.706 14.291
221 HD2 LYS 35 HD2 LYS 35 -9.562 9.943 12.865
222 HD3 LYS 35 HD1 LYS 35 -8.225 10.490 11.869
223 HE2 LYS 35 HE2 LYS 35 -9.002 7.585 12.062
224 HE3 LYS 35 HE1 LYS 35 -9.763 8.684 10.916
225 HZ1 LYS 35 HZ1 LYS 35 -6.896 7.849 10.988
226 HZ2 LYS 35 HZ2 LYS 35 -7.429 9.177 10.116
227 HZ3 LYS 35 HZ3 LYS 35 -7.987 7.654 9.746
228 H CYS 36 HN CYS 36 -4.591 11.592 15.061
229 HA CYS 36 HA CYS 36 -2.746 9.645 14.448
230 HB2 CYS 36 HB2 CYS 36 -1.965 11.780 13.953
231 HB3 CYS 36 HB1 CYS 36 -2.501 12.394 15.506
232 H ALA 37 HN ALA 37 -3.333 11.145 17.366
233 HA ALA 37 HA ALA 37 -1.425 9.888 19.102
234 HB1 ALA 37 HB1 ALA 37 -2.221 12.100 19.604
235 HB2 ALA 37 HB2 ALA 37 -2.907 11.076 20.886
236 HB3 ALA 37 HB3 ALA 37 -3.862 11.535 19.471
237 H PHE 38 HN PHE 38 -4.723 9.463 18.346
238 HA PHE 38 HA PHE 38 -5.210 7.233 20.182
239 HB2 PHE 38 HB2 PHE 38 -7.084 8.613 19.956
240 HB3 PHE 38 HB1 PHE 38 -6.831 8.841 18.239
241 HD1 PHE 38 HD1 PHE 38 -7.733 6.153 20.676
242 HD2 PHE 38 HD2 PHE 38 -8.262 7.823 16.801
243 HE1 PHE 38 HE1 PHE 38 -9.501 4.513 20.199
244 HE2 PHE 38 HE2 PHE 38 -10.025 6.188 16.326
245 HZ PHE 38 HZ PHE 38 -10.642 4.530 18.027
246 H CYS 39 HN CYS 39 -3.871 7.349 17.089
247 HA CYS 39 HA CYS 39 -5.005 4.921 16.045
248 HB2 CYS 39 HB2 CYS 39 -4.069 6.628 14.551
249 HB3 CYS 39 HB1 CYS 39 -2.493 6.399 15.292
250 H LYS 40 HN LYS 40 -2.407 5.648 18.262
251 HA LYS 40 HA LYS 40 -0.905 3.462 17.543
252 HB2 LYS 40 HB2 LYS 40 0.049 3.908 19.704
253 HB3 LYS 40 HB1 LYS 40 0.194 5.219 18.420
254 HG2 LYS 40 HG2 LYS 40 -0.016 6.243 20.640
255 HG3 LYS 40 HG1 LYS 40 -1.582 6.388 19.852
256 HD2 LYS 40 HD2 LYS 40 -2.401 4.570 20.987
257 HD3 LYS 40 HD1 LYS 40 -0.872 4.177 21.798
258 HE2 LYS 40 HE2 LYS 40 -1.064 6.420 22.943
259 HE3 LYS 40 HE1 LYS 40 -2.648 6.606 22.200
260 HZ1 LYS 40 HZ1 LYS 40 -3.458 4.645 23.530
261 HZ2 LYS 40 HZ2 LYS 40 -2.843 5.832 24.473
262 HZ3 LYS 40 HZ3 LYS 40 -1.917 4.470 24.184
263 H ALA 41 HN ALA 41 -3.225 4.106 19.503
264 HA ALA 41 HA ALA 41 -3.145 1.856 21.316
265 HB1 ALA 41 HB1 ALA 41 -5.195 3.550 20.304
266 HB2 ALA 41 HB2 ALA 41 -4.370 3.640 21.931
267 HB3 ALA 41 HB3 ALA 41 -5.475 2.253 21.474
268 H ILE 42 HN ILE 42 -4.627 2.548 18.190
269 HA ILE 42 HA ILE 42 -6.328 0.256 18.180
270 HB ILE 42 HB ILE 42 -5.251 2.251 16.192
271 HG12 ILE 42 HG12 ILE 42 -8.048 1.767 17.070
272 HG13 ILE 42 HG11 ILE 42 -6.793 2.600 18.025
273 HG21 ILE 42 HG21 ILE 42 -6.747 1.273 14.531
274 HG22 ILE 42 HG22 ILE 42 -7.185 0.011 15.716
275 HG23 ILE 42 HG23 ILE 42 -5.500 0.156 15.133
276 HD11 ILE 42 HD11 ILE 42 -6.505 4.171 16.634
277 HD12 ILE 42 HD12 ILE 42 -8.288 4.066 16.584
278 HD13 ILE 42 HD13 ILE 42 -7.288 3.445 15.230
279 H VAL 43 HN VAL 43 -3.470 1.317 17.019
280 HA VAL 43 HA VAL 43 -2.306 -0.893 15.800
281 HB VAL 43 HB VAL 43 -1.022 1.235 17.431
282 HG11 VAL 43 HG11 VAL 43 0.577 -0.524 16.935
283 HG12 VAL 43 HG12 VAL 43 0.956 0.944 16.031
284 HG13 VAL 43 HG13 VAL 43 0.178 -0.414 15.217
285 HG21 VAL 43 HG21 VAL 43 -2.421 2.144 15.874
286 HG22 VAL 43 HG22 VAL 43 -1.693 1.242 14.512
287 HG23 VAL 43 HG23 VAL 43 -0.767 2.496 15.387
288 H LYS 44 HN LYS 44 -2.568 -0.086 19.219
289 HA LYS 44 HA LYS 44 -0.678 -2.126 19.898
290 HB2 LYS 44 HB2 LYS 44 -2.432 -0.373 21.360
291 HB3 LYS 44 HB1 LYS 44 -1.529 -1.592 22.275
292 HG2 LYS 44 HG2 LYS 44 -0.489 0.843 20.768
293 HG3 LYS 44 HG1 LYS 44 -0.302 0.487 22.479
294 HD2 LYS 44 HD2 LYS 44 1.820 -0.037 21.723
295 HD3 LYS 44 HD1 LYS 44 1.044 -1.606 21.539
296 HE2 LYS 44 HE2 LYS 44 0.624 -1.033 19.105
297 HE3 LYS 44 HE1 LYS 44 1.501 0.456 19.377
298 HZ1 LYS 44 HZ1 LYS 44 3.494 -0.824 19.889
299 HZ2 LYS 44 HZ2 LYS 44 2.890 -1.247 18.372
300 HZ3 LYS 44 HZ3 LYS 44 2.638 -2.269 19.658
301 H SER 45 HN SER 45 -4.031 -1.771 19.921
302 HA SER 45 HA SER 45 -4.427 -4.317 21.246
303 HB2 SER 45 HB2 SER 45 -5.928 -2.374 21.584
304 HB3 SER 45 HB1 SER 45 -6.522 -2.597 19.941
305 HG SER 45 HG SER 45 -7.463 -3.620 22.054
306 H GLY 46 HN GLY 46 -4.091 -3.300 17.913
307 HA2 GLY 46 HA2 GLY 46 -3.716 -4.818 16.355
308 HA3 GLY 46 HA1 GLY 46 -4.853 -5.940 17.229
309 H GLY 47 HN GLY 47 -5.503 -2.638 16.510
310 HA2 GLY 47 HA2 GLY 47 -7.018 -1.766 14.972
311 HA3 GLY 47 HA1 GLY 47 -7.307 -3.392 14.367
312 H LYS 48 HN LYS 48 -7.430 -4.102 17.322
313 HA LYS 48 HA LYS 48 -10.198 -4.263 17.434
314 HB2 LYS 48 HB2 LYS 48 -8.050 -4.875 19.316
315 HB3 LYS 48 HB1 LYS 48 -9.730 -5.124 19.793
316 HG2 LYS 48 HG2 LYS 48 -10.029 -6.902 18.407
317 HG3 LYS 48 HG1 LYS 48 -9.039 -6.197 17.141
318 HD2 LYS 48 HD2 LYS 48 -8.045 -8.268 17.925
319 HD3 LYS 48 HD1 LYS 48 -7.049 -6.866 18.317
320 HE2 LYS 48 HE2 LYS 48 -8.943 -8.007 20.357
321 HE3 LYS 48 HE1 LYS 48 -7.373 -8.756 20.097
322 HZ1 LYS 48 HZ1 LYS 48 -6.360 -6.605 20.535
323 HZ2 LYS 48 HZ2 LYS 48 -7.197 -7.164 21.887
324 HZ3 LYS 48 HZ3 LYS 48 -7.835 -5.921 20.927
325 H ILE 49 HN ILE 49 -8.174 -1.842 18.813
326 HA ILE 49 HA ILE 49 -10.388 -0.845 20.388
327 HB ILE 49 HB ILE 49 -7.697 0.310 19.787
328 HG12 ILE 49 HG12 ILE 49 -8.894 -0.420 22.422
329 HG13 ILE 49 HG11 ILE 49 -8.072 -1.590 21.392
330 HG21 ILE 49 HG21 ILE 49 -9.792 1.673 21.493
331 HG22 ILE 49 HG22 ILE 49 -9.188 2.244 19.946
332 HG23 ILE 49 HG23 ILE 49 -8.105 2.164 21.335
333 HD11 ILE 49 HD11 ILE 49 -6.573 -0.716 23.061
334 HD12 ILE 49 HD12 ILE 49 -6.881 0.938 22.439
335 HD13 ILE 49 HD13 ILE 49 -6.193 -0.326 21.375
336 H SER 50 HN SER 50 -11.464 0.974 20.098
337 HA SER 50 HA SER 50 -11.759 2.078 17.405
338 HB2 SER 50 HB2 SER 50 -14.020 0.966 19.100
339 HB3 SER 50 HB1 SER 50 -14.174 1.718 17.511
340 HG SER 50 HG SER 50 -12.393 -0.287 17.395
341 H LEU 51 HN LEU 51 -13.612 4.049 17.792
342 HA LEU 51 HA LEU 51 -12.597 5.468 19.830
343 HB2 LEU 51 HB2 LEU 51 -12.914 6.124 17.587
344 HB3 LEU 51 HB1 LEU 51 -14.639 5.840 17.779
345 HG LEU 51 HG LEU 51 -14.590 7.292 19.705
346 HD11 LEU 51 HD11 LEU 51 -12.565 8.881 19.571
347 HD12 LEU 51 HD12 LEU 51 -11.870 7.373 18.786
348 HD13 LEU 51 HD13 LEU 51 -12.567 7.303 20.380
349 HD21 LEU 51 HD21 LEU 51 -15.352 7.749 17.623
350 HD22 LEU 51 HD22 LEU 51 -13.763 8.417 17.122
351 HD23 LEU 51 HD23 LEU 51 -14.733 9.167 18.497
352 H LYS 52 HN LYS 52 -13.737 6.054 21.646
353 HA LYS 52 HA LYS 52 -16.494 5.206 21.929
354 HB2 LYS 52 HB2 LYS 52 -15.079 7.051 23.704
355 HB3 LYS 52 HB1 LYS 52 -16.448 6.012 24.139
356 HG2 LYS 52 HG2 LYS 52 -14.689 4.163 23.545
357 HG3 LYS 52 HG1 LYS 52 -13.641 5.583 23.802
358 HD2 LYS 52 HD2 LYS 52 -15.631 4.532 25.866
359 HD3 LYS 52 HD1 LYS 52 -13.907 4.181 25.918
360 HE2 LYS 52 HE2 LYS 52 -15.052 6.973 25.971
361 HE3 LYS 52 HE1 LYS 52 -14.681 6.043 27.418
362 HZ1 LYS 52 HZ1 LYS 52 -12.953 7.664 26.572
363 HZ2 LYS 52 HZ2 LYS 52 -12.598 6.511 25.366
364 HZ3 LYS 52 HZ3 LYS 52 -12.435 6.134 26.992
365 H HIS 53 HN HIS 53 -14.686 8.053 21.730
366 HA HIS 53 HA HIS 53 -17.178 9.425 20.903
367 HB2 HIS 53 HB2 HIS 53 -17.043 9.531 23.409
368 HB3 HIS 53 HB1 HIS 53 -15.596 10.510 23.241
369 HD1 HIS 53 HD1 HIS 53 -19.322 10.663 22.905
370 HD2 HIS 53 HD2 HIS 53 -16.045 13.173 22.487
371 HE1 HIS 53 HE1 HIS 53 -20.244 13.006 22.750
372 HA PRO 54 HA PRO 54 -14.126 11.774 18.544
373 HB2 PRO 54 HB2 PRO 54 -16.320 13.357 17.481
374 HB3 PRO 54 HB1 PRO 54 -15.353 12.143 16.622
375 HG2 PRO 54 HG2 PRO 54 -17.988 11.821 17.194
376 HG3 PRO 54 HG1 PRO 54 -16.844 10.484 16.968
377 HD2 PRO 54 HD2 PRO 54 -17.931 11.613 19.502
378 HD3 PRO 54 HD1 PRO 54 -17.555 9.932 19.055
379 H GLY 55 HN GLY 55 -13.126 13.153 19.802
380 HA2 GLY 55 HA2 GLY 55 -13.061 15.492 20.633
381 HA3 GLY 55 HA1 GLY 55 -14.671 15.189 21.281
382 H LYS 56 HN LYS 56 -13.394 15.822 23.317
383 HA LYS 56 HA LYS 56 -11.883 13.683 24.358
384 HB2 LYS 56 HB2 LYS 56 -11.499 15.113 26.166
385 HB3 LYS 56 HB1 LYS 56 -11.613 16.167 24.730
386 HG2 LYS 56 HG2 LYS 56 -13.732 16.906 25.301
387 HG3 LYS 56 HG1 LYS 56 -13.951 15.665 26.534
388 HD2 LYS 56 HD2 LYS 56 -11.878 16.753 27.665
389 HD3 LYS 56 HD1 LYS 56 -12.253 18.139 26.640
390 HE2 LYS 56 HE2 LYS 56 -13.285 18.422 28.820
391 HE3 LYS 56 HE1 LYS 56 -14.528 18.202 27.591
392 HZ1 LYS 56 HZ1 LYS 56 -13.570 15.957 29.344
393 HZ2 LYS 56 HZ2 LYS 56 -14.833 15.885 28.331
394 HZ3 LYS 56 HZ3 LYS 56 -14.934 16.861 29.672
395 H CYS 57 HN CYS 57 -12.430 12.890 26.374
396 HA CYS 57 HA CYS 57 -15.298 12.480 26.726
397 HB2 CYS 57 HB2 CYS 57 -12.917 11.235 28.121
398 HB3 CYS 57 HB1 CYS 57 -14.549 11.044 28.751
Start of MODEL 8
1 H GLN 1 HT1 GLN 1 6.310 6.517 5.499
2 HA GLN 1 HA GLN 1 6.825 8.651 6.570
3 HB2 GLN 1 HB2 GLN 1 8.303 8.113 3.968
4 HB3 GLN 1 HB1 GLN 1 8.894 9.128 5.265
5 HG2 GLN 1 HG2 GLN 1 10.074 7.102 5.447
6 HG3 GLN 1 HG1 GLN 1 8.869 7.053 6.726
7 HE21 GLN 1 HE21 GLN 1 7.174 5.441 6.624
8 HE22 GLN 1 HE22 GLN 1 7.306 4.197 5.449
9 H GLY 2 HN GLY 2 7.000 10.922 6.346
10 HA2 GLY 2 HA2 GLY 2 6.564 12.988 5.399
11 HA3 GLY 2 HA1 GLY 2 6.197 12.182 3.873
12 H GLY 3 HN GLY 3 4.163 11.184 3.622
13 HA2 GLY 3 HA2 GLY 3 1.978 12.634 4.747
14 HA3 GLY 3 HA1 GLY 3 1.861 11.194 3.726
15 H GLN 4 HN GLN 4 1.084 12.271 6.661
16 HA GLN 4 HA GLN 4 2.124 10.267 8.358
17 HB2 GLN 4 HB2 GLN 4 -0.186 12.153 8.780
18 HB3 GLN 4 HB1 GLN 4 0.567 11.174 10.030
19 HG2 GLN 4 HG2 GLN 4 1.908 13.374 8.459
20 HG3 GLN 4 HG1 GLN 4 1.314 13.501 10.112
21 HE21 GLN 4 HE21 GLN 4 3.834 12.281 8.054
22 HE22 GLN 4 HE22 GLN 4 4.865 11.781 9.360
23 H VAL 5 HN VAL 5 1.616 8.331 7.441
24 HA VAL 5 HA VAL 5 -1.088 7.377 8.164
25 HB VAL 5 HB VAL 5 -0.637 7.604 5.610
26 HG11 VAL 5 HG11 VAL 5 0.660 5.712 4.614
27 HG12 VAL 5 HG12 VAL 5 1.143 5.305 6.283
28 HG13 VAL 5 HG13 VAL 5 1.633 6.845 5.584
29 HG21 VAL 5 HG21 VAL 5 -1.742 5.468 5.077
30 HG22 VAL 5 HG22 VAL 5 -2.479 6.237 6.486
31 HG23 VAL 5 HG23 VAL 5 -1.369 4.882 6.697
32 H ASP 6 HN ASP 6 1.985 7.462 8.837
33 HA ASP 6 HA ASP 6 3.003 4.881 8.416
34 HB2 ASP 6 HB2 ASP 6 4.137 7.238 9.847
35 HB3 ASP 6 HB1 ASP 6 4.951 5.680 9.796
36 H CYS 7 HN CYS 7 1.118 3.914 9.677
37 HA CYS 7 HA CYS 7 2.304 3.195 12.329
38 HB2 CYS 7 HB2 CYS 7 -0.360 2.430 11.189
39 HB3 CYS 7 HB1 CYS 7 0.287 2.186 12.806
40 H GLY 8 HN GLY 8 4.053 2.398 11.409
41 HA2 GLY 8 HA2 GLY 8 3.772 0.056 9.779
42 HA3 GLY 8 HA1 GLY 8 5.276 0.761 10.385
43 H GLU 9 HN GLU 9 3.457 0.581 13.068
44 HA GLU 9 HA GLU 9 4.684 -1.769 13.999
45 HB2 GLU 9 HB2 GLU 9 2.570 0.059 14.915
46 HB3 GLU 9 HB1 GLU 9 3.258 -1.213 15.984
47 HG2 GLU 9 HG2 GLU 9 5.466 0.019 15.589
48 HG3 GLU 9 HG1 GLU 9 4.507 1.303 14.854
49 H PHE 10 HN PHE 10 1.437 -0.685 13.288
50 HA PHE 10 HA PHE 10 -0.500 -1.719 12.430
51 HB2 PHE 10 HB2 PHE 10 1.460 -2.024 10.839
52 HB3 PHE 10 HB1 PHE 10 1.360 -3.640 11.602
53 HD1 PHE 10 HD2 PHE 10 -1.290 -1.371 10.268
54 HD2 PHE 10 HD1 PHE 10 0.537 -5.205 9.982
55 HE1 PHE 10 HE2 PHE 10 -3.037 -2.078 8.694
56 HE2 PHE 10 HE1 PHE 10 -1.211 -5.921 8.406
57 HZ PHE 10 HZ PHE 10 -3.002 -4.357 7.761
58 H GLN 11 HN GLN 11 0.526 -2.796 14.894
59 HA GLN 11 HA GLN 11 0.222 -5.588 15.023
60 HB2 GLN 11 HB2 GLN 11 -0.067 -3.541 17.037
61 HB3 GLN 11 HB1 GLN 11 -0.063 -5.274 17.537
62 HG2 GLN 11 HG2 GLN 11 2.060 -5.234 16.078
63 HG3 GLN 11 HG1 GLN 11 1.906 -3.498 16.331
64 HE21 GLN 11 HE21 GLN 11 0.882 -3.877 19.137
65 HE22 GLN 11 HE22 GLN 11 2.251 -4.348 20.063
66 H ASP 12 HN ASP 12 -1.919 -3.316 14.764
67 HA ASP 12 HA ASP 12 -4.163 -5.104 14.989
68 HB2 ASP 12 HB2 ASP 12 -4.352 -3.632 16.821
69 HB3 ASP 12 HB1 ASP 12 -3.836 -2.290 15.798
70 H THR 13 HN THR 13 -5.580 -4.591 13.594
71 HA THR 13 HA THR 13 -4.543 -4.183 10.913
72 HB THR 13 HB THR 13 -6.076 -5.947 11.494
73 HG1 THR 13 HG1 THR 13 -6.448 -4.192 9.357
74 HG21 THR 13 HG21 THR 13 -7.655 -4.828 12.931
75 HG22 THR 13 HG22 THR 13 -8.538 -5.522 11.570
76 HG23 THR 13 HG23 THR 13 -8.189 -3.793 11.606
77 H LYS 14 HN LYS 14 -6.284 -2.247 13.083
78 HA LYS 14 HA LYS 14 -7.463 -0.475 11.109
79 HB2 LYS 14 HB2 LYS 14 -7.003 -0.243 13.996
80 HB3 LYS 14 HB1 LYS 14 -8.228 0.726 13.117
81 HG2 LYS 14 HG2 LYS 14 -9.320 -1.551 12.723
82 HG3 LYS 14 HG1 LYS 14 -8.112 -2.174 13.858
83 HD2 LYS 14 HD2 LYS 14 -9.004 -0.197 15.372
84 HD3 LYS 14 HD1 LYS 14 -10.446 -0.376 14.375
85 HE2 LYS 14 HE2 LYS 14 -10.747 -1.723 16.322
86 HE3 LYS 14 HE1 LYS 14 -10.439 -2.819 14.974
87 HZ1 LYS 14 HZ1 LYS 14 -9.121 -3.417 16.995
88 HZ2 LYS 14 HZ2 LYS 14 -8.400 -1.912 16.926
89 HZ3 LYS 14 HZ3 LYS 14 -8.097 -2.995 15.725
90 H VAL 15 HN VAL 15 -4.592 -1.001 12.476
91 HA VAL 15 HA VAL 15 -3.712 1.612 13.098
92 HB VAL 15 HB VAL 15 -2.430 -1.048 13.164
93 HG11 VAL 15 HG11 VAL 15 -0.641 0.534 12.787
94 HG12 VAL 15 HG12 VAL 15 -0.569 -0.063 14.441
95 HG13 VAL 15 HG13 VAL 15 -1.219 1.553 14.109
96 HG21 VAL 15 HG21 VAL 15 -4.144 -0.630 14.701
97 HG22 VAL 15 HG22 VAL 15 -3.349 0.843 15.279
98 HG23 VAL 15 HG23 VAL 15 -2.604 -0.736 15.564
99 H TYR 16 HN TYR 16 -4.164 2.322 10.992
100 HA TYR 16 HA TYR 16 -1.567 3.211 9.886
101 HB2 TYR 16 HB2 TYR 16 -2.550 3.433 7.699
102 HB3 TYR 16 HB1 TYR 16 -2.798 1.760 8.268
103 HD1 TYR 16 HD2 TYR 16 -5.046 0.979 8.901
104 HD2 TYR 16 HD1 TYR 16 -4.460 4.847 7.223
105 HE1 TYR 16 HE2 TYR 16 -7.456 1.155 8.476
106 HE2 TYR 16 HE1 TYR 16 -6.872 5.031 6.799
107 HH TYR 16 HH TYR 16 -8.821 3.463 6.497
108 H CYS 17 HN CYS 17 -1.574 5.491 9.761
109 HA CYS 17 HA CYS 17 -3.915 6.647 11.122
110 HB2 CYS 17 HB2 CYS 17 -2.470 8.145 12.260
111 HB3 CYS 17 HB1 CYS 17 -1.748 6.535 12.246
112 H THR 18 HN THR 18 -3.749 9.103 10.880
113 HA THR 18 HA THR 18 -3.515 9.849 8.079
114 HB THR 18 HB THR 18 -5.878 9.427 8.297
115 HG1 THR 18 HG1 THR 18 -6.206 11.315 7.260
116 HG21 THR 18 HG21 THR 18 -7.255 10.498 10.035
117 HG22 THR 18 HG22 THR 18 -5.783 11.194 10.719
118 HG23 THR 18 HG23 THR 18 -6.025 9.447 10.760
119 H ARG 19 HN ARG 19 -3.903 12.034 7.988
120 HA ARG 19 HA ARG 19 -2.037 13.449 9.806
121 HB2 ARG 19 HB2 ARG 19 -1.644 15.039 7.958
122 HB3 ARG 19 HB1 ARG 19 -1.368 13.395 7.387
123 HG2 ARG 19 HG2 ARG 19 -3.563 13.339 6.395
124 HG3 ARG 19 HG1 ARG 19 -3.910 14.936 7.024
125 HD2 ARG 19 HD2 ARG 19 -2.040 15.798 5.603
126 HD3 ARG 19 HD1 ARG 19 -1.938 14.180 4.881
127 HE ARG 19 HE ARG 19 -4.590 15.108 4.966
128 HH11 ARG 19 HH11 ARG 19 -1.675 15.533 3.023
129 HH12 ARG 19 HH12 ARG 19 -2.517 15.994 1.606
130 HH21 ARG 19 HH21 ARG 19 -5.692 15.692 3.208
131 HH22 ARG 19 HH22 ARG 19 -4.988 16.094 1.696
132 H GLU 20 HN GLU 20 -5.156 13.196 8.618
133 HA GLU 20 HA GLU 20 -6.148 15.808 9.187
134 HB2 GLU 20 HB2 GLU 20 -7.434 13.153 8.621
135 HB3 GLU 20 HB1 GLU 20 -8.415 14.474 9.221
136 HG2 GLU 20 HG2 GLU 20 -8.613 14.277 6.807
137 HG3 GLU 20 HG1 GLU 20 -7.847 15.794 7.232
138 H SER 21 HN SER 21 -7.134 16.562 11.060
139 HA SER 21 HA SER 21 -6.484 15.052 13.356
140 HB2 SER 21 HB2 SER 21 -7.567 16.839 14.520
141 HB3 SER 21 HB1 SER 21 -6.089 17.286 13.639
142 HG SER 21 HG SER 21 -8.801 17.753 12.878
143 H ASN 22 HN ASN 22 -7.548 13.560 13.688
144 HA ASN 22 HA ASN 22 -10.491 13.602 13.755
145 HB2 ASN 22 HB2 ASN 22 -8.708 11.173 13.411
146 HB3 ASN 22 HB1 ASN 22 -10.452 11.121 13.568
147 HD21 ASN 22 HD21 ASN 22 -10.704 13.583 11.828
148 HD22 ASN 22 HD22 ASN 22 -10.423 12.970 10.233
149 HA PRO 23 HA PRO 23 -9.226 13.225 18.061
150 HB2 PRO 23 HB2 PRO 23 -11.421 14.353 19.159
151 HB3 PRO 23 HB1 PRO 23 -10.113 15.336 18.482
152 HG2 PRO 23 HG2 PRO 23 -12.748 14.699 17.289
153 HG3 PRO 23 HG1 PRO 23 -11.793 16.192 17.196
154 HD2 PRO 23 HD2 PRO 23 -11.911 14.310 15.200
155 HD3 PRO 23 HD1 PRO 23 -10.577 15.458 15.419
156 H HIS 24 HN HIS 24 -9.648 11.518 19.366
157 HA HIS 24 HA HIS 24 -12.117 9.920 19.044
158 HB2 HIS 24 HB2 HIS 24 -9.317 8.865 18.703
159 HB3 HIS 24 HB1 HIS 24 -10.818 7.958 18.813
160 HD1 HIS 24 HD1 HIS 24 -12.495 9.294 16.603
161 HD2 HIS 24 HD2 HIS 24 -8.443 8.489 16.216
162 HE1 HIS 24 HE1 HIS 24 -12.057 9.069 14.131
163 H CYS 25 HN CYS 25 -12.761 9.528 20.728
164 HA CYS 25 HA CYS 25 -10.944 9.011 22.968
165 HB2 CYS 25 HB2 CYS 25 -13.063 10.445 23.408
166 HB3 CYS 25 HB1 CYS 25 -13.942 8.945 23.012
167 H GLY 26 HN GLY 26 -10.314 7.022 22.873
168 HA2 GLY 26 HA2 GLY 26 -11.661 5.185 21.168
169 HA3 GLY 26 HA1 GLY 26 -10.192 4.896 22.090
170 H SER 27 HN SER 27 -12.210 3.195 21.787
171 HA SER 27 HA SER 27 -13.951 2.972 23.886
172 HB2 SER 27 HB2 SER 27 -12.501 0.658 22.571
173 HB3 SER 27 HB1 SER 27 -14.039 0.563 23.434
174 HG SER 27 HG SER 27 -15.037 1.377 21.739
175 H ASP 28 HN ASP 28 -10.497 2.632 23.783
176 HA ASP 28 HA ASP 28 -10.137 1.237 26.304
177 HB2 ASP 28 HB2 ASP 28 -8.682 0.909 24.265
178 HB3 ASP 28 HB1 ASP 28 -8.107 2.556 24.508
179 H GLY 29 HN GLY 29 -11.219 4.034 25.625
180 HA2 GLY 29 HA2 GLY 29 -11.796 5.513 27.406
181 HA3 GLY 29 HA1 GLY 29 -10.412 4.858 28.291
182 H GLN 30 HN GLN 30 -8.757 5.050 26.077
183 HA GLN 30 HA GLN 30 -7.758 7.580 26.709
184 HB2 GLN 30 HB2 GLN 30 -6.837 5.588 24.729
185 HB3 GLN 30 HB1 GLN 30 -6.005 7.126 24.991
186 HG2 GLN 30 HG2 GLN 30 -5.924 6.760 27.200
187 HG3 GLN 30 HG1 GLN 30 -6.771 5.177 27.001
188 HE21 GLN 30 HE21 GLN 30 -5.516 3.361 26.131
189 HE22 GLN 30 HE22 GLN 30 -3.820 3.477 25.934
190 H THR 31 HN THR 31 -7.339 9.292 25.593
191 HA THR 31 HA THR 31 -8.885 9.674 23.107
192 HB THR 31 HB THR 31 -8.420 11.758 25.227
193 HG1 THR 31 HG1 THR 31 -10.148 9.991 25.357
194 HG21 THR 31 HG21 THR 31 -9.842 11.962 22.536
195 HG22 THR 31 HG22 THR 31 -8.374 12.799 22.965
196 HG23 THR 31 HG23 THR 31 -9.916 13.195 23.770
197 H TYR 32 HN TYR 32 -7.872 10.431 21.404
198 HA TYR 32 HA TYR 32 -5.494 11.982 21.846
199 HB2 TYR 32 HB2 TYR 32 -5.646 9.545 20.170
200 HB3 TYR 32 HB1 TYR 32 -4.571 10.854 19.679
201 HD1 TYR 32 HD1 TYR 32 -2.918 11.702 21.464
202 HD2 TYR 32 HD2 TYR 32 -4.898 7.952 21.715
203 HE1 TYR 32 HE1 TYR 32 -1.166 10.887 22.971
204 HE2 TYR 32 HE2 TYR 32 -3.153 7.128 23.235
205 HH TYR 32 HH TYR 32 -1.062 9.008 24.822
206 H GLY 33 HN GLY 33 -4.903 13.301 20.279
207 HA2 GLY 33 HA2 GLY 33 -6.970 14.919 19.231
208 HA3 GLY 33 HA1 GLY 33 -5.264 15.147 18.915
209 H ASN 34 HN ASN 34 -4.850 12.587 17.472
210 HA ASN 34 HA ASN 34 -6.817 12.698 15.426
211 HB2 ASN 34 HB2 ASN 34 -5.258 12.943 13.542
212 HB3 ASN 34 HB1 ASN 34 -5.094 14.322 14.607
213 HD21 ASN 34 HD21 ASN 34 -3.091 14.790 13.687
214 HD22 ASN 34 HD22 ASN 34 -1.681 13.872 14.059
215 H LYS 35 HN LYS 35 -6.062 10.873 13.741
216 HA LYS 35 HA LYS 35 -6.242 8.600 15.405
217 HB2 LYS 35 HB2 LYS 35 -7.218 8.827 13.054
218 HB3 LYS 35 HB1 LYS 35 -5.527 8.549 12.570
219 HG2 LYS 35 HG2 LYS 35 -5.534 6.394 13.718
220 HG3 LYS 35 HG1 LYS 35 -7.217 6.633 14.171
221 HD2 LYS 35 HD2 LYS 35 -7.849 6.626 11.813
222 HD3 LYS 35 HD1 LYS 35 -6.155 6.396 11.359
223 HE2 LYS 35 HE2 LYS 35 -6.181 4.324 12.803
224 HE3 LYS 35 HE1 LYS 35 -7.931 4.510 12.893
225 HZ1 LYS 35 HZ1 LYS 35 -7.188 2.977 11.175
226 HZ2 LYS 35 HZ2 LYS 35 -6.332 4.212 10.443
227 HZ3 LYS 35 HZ3 LYS 35 -8.042 4.281 10.477
228 H CYS 36 HN CYS 36 -3.823 9.884 13.709
229 HA CYS 36 HA CYS 36 -1.830 7.824 13.921
230 HB2 CYS 36 HB2 CYS 36 -1.862 10.170 12.625
231 HB3 CYS 36 HB1 CYS 36 -0.921 10.602 14.053
232 H ALA 37 HN ALA 37 -2.681 10.338 15.815
233 HA ALA 37 HA ALA 37 -0.680 10.290 17.846
234 HB1 ALA 37 HB1 ALA 37 -3.527 11.065 17.878
235 HB2 ALA 37 HB2 ALA 37 -2.188 12.146 17.527
236 HB3 ALA 37 HB3 ALA 37 -2.441 11.537 19.190
237 H PHE 38 HN PHE 38 -3.709 8.648 17.439
238 HA PHE 38 HA PHE 38 -3.519 7.213 20.005
239 HB2 PHE 38 HB2 PHE 38 -5.652 8.203 18.711
240 HB3 PHE 38 HB1 PHE 38 -5.575 6.640 17.937
241 HD1 PHE 38 HD1 PHE 38 -4.505 5.280 20.623
242 HD2 PHE 38 HD2 PHE 38 -7.815 7.720 19.589
243 HE1 PHE 38 HE1 PHE 38 -5.777 4.316 22.480
244 HE2 PHE 38 HE2 PHE 38 -9.094 6.764 21.434
245 HZ PHE 38 HZ PHE 38 -8.081 5.058 22.889
246 H CYS 39 HN CYS 39 -2.819 6.740 16.735
247 HA CYS 39 HA CYS 39 -3.347 3.986 16.275
248 HB2 CYS 39 HB2 CYS 39 -2.732 5.860 14.621
249 HB3 CYS 39 HB1 CYS 39 -1.071 5.554 15.102
250 H LYS 40 HN LYS 40 -0.351 5.408 17.457
251 HA LYS 40 HA LYS 40 0.840 2.923 17.553
252 HB2 LYS 40 HB2 LYS 40 2.240 4.242 19.057
253 HB3 LYS 40 HB1 LYS 40 2.259 4.600 17.245
254 HG2 LYS 40 HG2 LYS 40 2.507 6.700 18.436
255 HG3 LYS 40 HG1 LYS 40 0.803 6.600 18.019
256 HD2 LYS 40 HD2 LYS 40 0.220 5.965 20.192
257 HD3 LYS 40 HD1 LYS 40 1.902 5.753 20.700
258 HE2 LYS 40 HE2 LYS 40 2.266 8.176 20.401
259 HE3 LYS 40 HE1 LYS 40 0.590 8.361 19.893
260 HZ1 LYS 40 HZ1 LYS 40 -0.132 7.673 22.112
261 HZ2 LYS 40 HZ2 LYS 40 0.892 8.976 22.224
262 HZ3 LYS 40 HZ3 LYS 40 1.462 7.438 22.595
263 H ALA 41 HN ALA 41 -0.859 4.659 19.536
264 HA ALA 41 HA ALA 41 -0.308 3.242 22.003
265 HB1 ALA 41 HB1 ALA 41 -2.468 4.771 21.043
266 HB2 ALA 41 HB2 ALA 41 -1.102 5.407 22.080
267 HB3 ALA 41 HB3 ALA 41 -2.342 4.216 22.723
268 H ILE 42 HN ILE 42 -2.626 2.985 19.308
269 HA ILE 42 HA ILE 42 -4.448 1.170 20.598
270 HB ILE 42 HB ILE 42 -3.626 1.797 17.765
271 HG12 ILE 42 HG12 ILE 42 -6.182 2.313 19.238
272 HG13 ILE 42 HG11 ILE 42 -4.692 3.256 19.322
273 HG21 ILE 42 HG21 ILE 42 -4.234 -0.475 17.913
274 HG22 ILE 42 HG22 ILE 42 -5.530 0.392 17.055
275 HG23 ILE 42 HG23 ILE 42 -5.747 -0.148 18.743
276 HD11 ILE 42 HD11 ILE 42 -4.712 3.897 17.387
277 HD12 ILE 42 HD12 ILE 42 -6.482 4.005 17.654
278 HD13 ILE 42 HD13 ILE 42 -5.770 2.697 16.641
279 H VAL 43 HN VAL 43 -1.783 1.067 18.683
280 HA VAL 43 HA VAL 43 -1.168 -1.639 18.509
281 HB VAL 43 HB VAL 43 0.705 0.647 18.841
282 HG11 VAL 43 HG11 VAL 43 2.286 -0.645 17.554
283 HG12 VAL 43 HG12 VAL 43 1.107 -1.938 17.337
284 HG13 VAL 43 HG13 VAL 43 1.770 -1.608 18.941
285 HG21 VAL 43 HG21 VAL 43 -0.653 -0.383 16.409
286 HG22 VAL 43 HG22 VAL 43 0.662 0.825 16.423
287 HG23 VAL 43 HG23 VAL 43 -0.869 1.153 17.271
288 H LYS 44 HN LYS 44 -0.571 0.655 21.145
289 HA LYS 44 HA LYS 44 1.228 -1.165 22.414
290 HB2 LYS 44 HB2 LYS 44 0.089 1.417 23.080
291 HB3 LYS 44 HB1 LYS 44 1.195 0.639 24.241
292 HG2 LYS 44 HG2 LYS 44 1.760 1.631 21.430
293 HG3 LYS 44 HG1 LYS 44 2.400 2.301 22.927
294 HD2 LYS 44 HD2 LYS 44 3.824 0.441 23.261
295 HD3 LYS 44 HD1 LYS 44 2.988 -0.531 22.052
296 HE2 LYS 44 HE2 LYS 44 4.570 1.971 21.486
297 HE3 LYS 44 HE1 LYS 44 5.129 0.317 21.222
298 HZ1 LYS 44 HZ1 LYS 44 4.299 1.226 19.155
299 HZ2 LYS 44 HZ2 LYS 44 2.813 1.601 19.800
300 HZ3 LYS 44 HZ3 LYS 44 3.304 0.007 19.648
301 H SER 45 HN SER 45 -1.944 -0.033 22.820
302 HA SER 45 HA SER 45 -2.259 -1.342 25.348
303 HB2 SER 45 HB2 SER 45 -3.345 0.861 24.730
304 HB3 SER 45 HB1 SER 45 -4.401 -0.076 23.674
305 HG SER 45 HG SER 45 -5.207 0.442 25.831
306 H GLY 46 HN GLY 46 -2.567 -2.442 22.041
307 HA2 GLY 46 HA2 GLY 46 -2.617 -4.692 22.072
308 HA3 GLY 46 HA1 GLY 46 -4.127 -4.603 23.092
309 H GLY 47 HN GLY 47 -4.129 -2.347 20.736
310 HA2 GLY 47 HA2 GLY 47 -5.250 -2.218 18.735
311 HA3 GLY 47 HA1 GLY 47 -5.165 -3.985 18.639
312 H LYS 48 HN LYS 48 -6.377 -3.191 21.642
313 HA LYS 48 HA LYS 48 -8.923 -4.194 21.429
314 HB2 LYS 48 HB2 LYS 48 -7.955 -1.895 22.981
315 HB3 LYS 48 HB1 LYS 48 -9.419 -2.784 23.354
316 HG2 LYS 48 HG2 LYS 48 -8.193 -4.450 24.376
317 HG3 LYS 48 HG1 LYS 48 -6.718 -4.074 23.441
318 HD2 LYS 48 HD2 LYS 48 -6.383 -2.104 24.461
319 HD3 LYS 48 HD1 LYS 48 -7.997 -2.000 25.148
320 HE2 LYS 48 HE2 LYS 48 -7.390 -3.776 26.745
321 HE3 LYS 48 HE1 LYS 48 -5.769 -3.840 26.030
322 HZ1 LYS 48 HZ1 LYS 48 -6.937 -1.347 27.135
323 HZ2 LYS 48 HZ2 LYS 48 -5.398 -1.577 26.624
324 HZ3 LYS 48 HZ3 LYS 48 -5.914 -2.342 28.059
325 H ILE 49 HN ILE 49 -7.582 -1.061 20.820
326 HA ILE 49 HA ILE 49 -9.844 0.426 21.373
327 HB ILE 49 HB ILE 49 -7.622 1.233 19.604
328 HG12 ILE 49 HG12 ILE 49 -6.706 2.469 21.656
329 HG13 ILE 49 HG11 ILE 49 -7.901 1.584 22.584
330 HG21 ILE 49 HG21 ILE 49 -8.252 3.587 20.364
331 HG22 ILE 49 HG22 ILE 49 -9.670 2.856 21.140
332 HG23 ILE 49 HG23 ILE 49 -9.476 2.761 19.396
333 HD11 ILE 49 HD11 ILE 49 -5.910 0.072 20.978
334 HD12 ILE 49 HD12 ILE 49 -6.697 -0.356 22.512
335 HD13 ILE 49 HD13 ILE 49 -5.433 0.879 22.462
336 H SER 50 HN SER 50 -11.341 1.013 20.436
337 HA SER 50 HA SER 50 -11.752 1.260 17.582
338 HB2 SER 50 HB2 SER 50 -13.752 0.107 19.560
339 HB3 SER 50 HB1 SER 50 -13.997 0.424 17.835
340 HG SER 50 HG SER 50 -12.107 -1.417 18.914
341 H LEU 51 HN LEU 51 -13.933 2.924 17.601
342 HA LEU 51 HA LEU 51 -13.066 4.680 19.401
343 HB2 LEU 51 HB2 LEU 51 -13.432 4.998 17.077
344 HB3 LEU 51 HB1 LEU 51 -15.153 4.754 17.378
345 HG LEU 51 HG LEU 51 -15.081 6.419 19.046
346 HD11 LEU 51 HD11 LEU 51 -12.941 6.450 19.754
347 HD12 LEU 51 HD12 LEU 51 -12.954 7.953 18.785
348 HD13 LEU 51 HD13 LEU 51 -12.329 6.384 18.128
349 HD21 LEU 51 HD21 LEU 51 -15.693 6.625 16.841
350 HD22 LEU 51 HD22 LEU 51 -14.060 7.285 16.455
351 HD23 LEU 51 HD23 LEU 51 -15.176 8.123 17.668
352 H LYS 52 HN LYS 52 -14.258 5.593 21.153
353 HA LYS 52 HA LYS 52 -16.753 4.570 21.734
354 HB2 LYS 52 HB2 LYS 52 -15.078 4.578 23.442
355 HB3 LYS 52 HB1 LYS 52 -14.625 6.220 22.941
356 HG2 LYS 52 HG2 LYS 52 -16.656 6.850 23.282
357 HG3 LYS 52 HG1 LYS 52 -17.183 5.379 24.176
358 HD2 LYS 52 HD2 LYS 52 -15.115 7.512 24.919
359 HD3 LYS 52 HD1 LYS 52 -16.512 7.049 25.876
360 HE2 LYS 52 HE2 LYS 52 -15.489 4.937 26.421
361 HE3 LYS 52 HE1 LYS 52 -14.148 5.265 25.320
362 HZ1 LYS 52 HZ1 LYS 52 -13.559 5.749 27.634
363 HZ2 LYS 52 HZ2 LYS 52 -14.803 6.910 27.701
364 HZ3 LYS 52 HZ3 LYS 52 -13.511 7.132 26.656
365 H HIS 53 HN HIS 53 -14.997 7.429 21.053
366 HA HIS 53 HA HIS 53 -17.518 8.840 20.382
367 HB2 HIS 53 HB2 HIS 53 -15.546 10.008 22.368
368 HB3 HIS 53 HB1 HIS 53 -16.844 10.892 21.617
369 HD1 HIS 53 HD1 HIS 53 -16.459 10.561 24.701
370 HD2 HIS 53 HD2 HIS 53 -19.072 8.362 22.340
371 HE1 HIS 53 HE1 HIS 53 -18.284 9.753 26.240
372 HA PRO 54 HA PRO 54 -14.676 10.954 17.575
373 HB2 PRO 54 HB2 PRO 54 -16.927 12.611 16.768
374 HB3 PRO 54 HB1 PRO 54 -16.131 11.349 15.808
375 HG2 PRO 54 HG2 PRO 54 -18.683 11.139 16.710
376 HG3 PRO 54 HG1 PRO 54 -17.630 9.753 16.372
377 HD2 PRO 54 HD2 PRO 54 -18.331 10.975 18.999
378 HD3 PRO 54 HD1 PRO 54 -18.101 9.268 18.547
379 H GLY 55 HN GLY 55 -13.498 12.317 18.739
380 HA2 GLY 55 HA2 GLY 55 -13.278 14.652 19.611
381 HA3 GLY 55 HA1 GLY 55 -14.860 14.397 20.329
382 H LYS 56 HN LYS 56 -12.854 15.083 22.035
383 HA LYS 56 HA LYS 56 -11.657 12.838 23.163
384 HB2 LYS 56 HB2 LYS 56 -10.943 14.361 24.844
385 HB3 LYS 56 HB1 LYS 56 -10.992 15.273 23.318
386 HG2 LYS 56 HG2 LYS 56 -12.951 16.356 23.935
387 HG3 LYS 56 HG1 LYS 56 -13.224 15.296 25.319
388 HD2 LYS 56 HD2 LYS 56 -10.903 16.175 26.127
389 HD3 LYS 56 HD1 LYS 56 -11.208 17.498 25.003
390 HE2 LYS 56 HE2 LYS 56 -11.948 18.142 27.210
391 HE3 LYS 56 HE1 LYS 56 -13.353 17.940 26.167
392 HZ1 LYS 56 HZ1 LYS 56 -13.622 16.900 28.443
393 HZ2 LYS 56 HZ2 LYS 56 -12.453 15.748 28.019
394 HZ3 LYS 56 HZ3 LYS 56 -13.837 15.808 27.218
395 H CYS 57 HN CYS 57 -12.089 12.322 25.390
396 HA CYS 57 HA CYS 57 -14.916 12.381 26.017
397 HB2 CYS 57 HB2 CYS 57 -12.598 10.860 27.197
398 HB3 CYS 57 HB1 CYS 57 -14.102 11.032 28.100
Start of MODEL 9
1 H GLN 1 HT1 GLN 1 -0.418 11.323 10.780
2 HA GLN 1 HA GLN 1 -0.470 13.622 9.009
3 HB2 GLN 1 HB2 GLN 1 -1.560 13.191 11.791
4 HB3 GLN 1 HB1 GLN 1 -1.068 14.788 11.243
5 HG2 GLN 1 HG2 GLN 1 -3.201 13.058 9.999
6 HG3 GLN 1 HG1 GLN 1 -3.462 14.501 10.984
7 HE21 GLN 1 HE21 GLN 1 -4.307 14.047 8.230
8 HE22 GLN 1 HE22 GLN 1 -3.540 15.289 7.310
9 H GLY 2 HN GLY 2 1.162 15.113 9.449
10 HA2 GLY 2 HA2 GLY 2 3.264 15.740 10.167
11 HA3 GLY 2 HA1 GLY 2 3.196 14.467 11.392
12 H GLY 3 HN GLY 3 3.361 12.271 10.609
13 HA2 GLY 3 HA2 GLY 3 5.313 12.038 8.450
14 HA3 GLY 3 HA1 GLY 3 4.937 10.797 9.652
15 H GLN 4 HN GLN 4 4.914 10.597 6.702
16 HA GLN 4 HA GLN 4 2.150 10.383 6.003
17 HB2 GLN 4 HB2 GLN 4 3.023 9.810 3.775
18 HB3 GLN 4 HB1 GLN 4 3.835 11.212 4.481
19 HG2 GLN 4 HG2 GLN 4 5.766 9.887 5.049
20 HG3 GLN 4 HG1 GLN 4 4.985 8.436 4.427
21 HE21 GLN 4 HE21 GLN 4 6.581 8.068 2.898
22 HE22 GLN 4 HE22 GLN 4 6.756 9.084 1.505
23 H VAL 5 HN VAL 5 2.513 8.902 8.043
24 HA VAL 5 HA VAL 5 2.543 6.104 7.110
25 HB VAL 5 HB VAL 5 2.677 7.060 9.966
26 HG11 VAL 5 HG11 VAL 5 1.807 4.815 9.736
27 HG12 VAL 5 HG12 VAL 5 3.420 4.762 10.452
28 HG13 VAL 5 HG13 VAL 5 3.194 4.343 8.750
29 HG21 VAL 5 HG21 VAL 5 4.579 7.841 8.727
30 HG22 VAL 5 HG22 VAL 5 4.958 6.196 8.185
31 HG23 VAL 5 HG23 VAL 5 5.079 6.621 9.903
32 H ASP 6 HN ASP 6 0.708 5.005 7.175
33 HA ASP 6 HA ASP 6 -1.425 5.943 8.908
34 HB2 ASP 6 HB2 ASP 6 -1.938 6.435 6.487
35 HB3 ASP 6 HB1 ASP 6 -1.808 4.706 6.171
36 H CYS 7 HN CYS 7 -1.750 4.395 10.392
37 HA CYS 7 HA CYS 7 -1.124 2.005 10.926
38 HB2 CYS 7 HB2 CYS 7 -3.948 2.888 10.658
39 HB3 CYS 7 HB1 CYS 7 -3.407 1.520 11.669
40 H GLY 8 HN GLY 8 -3.342 2.364 8.267
41 HA2 GLY 8 HA2 GLY 8 -3.893 0.935 6.548
42 HA3 GLY 8 HA1 GLY 8 -2.220 0.424 6.654
43 H GLU 9 HN GLU 9 -1.742 -1.334 8.214
44 HA GLU 9 HA GLU 9 -3.511 -3.528 7.851
45 HB2 GLU 9 HB2 GLU 9 -0.962 -3.416 7.836
46 HB3 GLU 9 HB1 GLU 9 -1.054 -3.273 9.565
47 HG2 GLU 9 HG2 GLU 9 -2.100 -5.660 8.014
48 HG3 GLU 9 HG1 GLU 9 -0.544 -5.603 8.835
49 H PHE 10 HN PHE 10 -2.363 -1.467 10.510
50 HA PHE 10 HA PHE 10 -3.481 -0.492 12.115
51 HB2 PHE 10 HB2 PHE 10 -5.183 -0.621 10.390
52 HB3 PHE 10 HB1 PHE 10 -5.620 -2.159 11.116
53 HD1 PHE 10 HD1 PHE 10 -5.520 1.500 11.908
54 HD2 PHE 10 HD2 PHE 10 -7.446 -2.228 12.595
55 HE1 PHE 10 HE1 PHE 10 -7.297 2.653 13.150
56 HE2 PHE 10 HE2 PHE 10 -9.221 -1.086 13.851
57 HZ PHE 10 HZ PHE 10 -9.153 1.361 14.122
58 H GLN 11 HN GLN 11 -2.808 -3.618 12.055
59 HA GLN 11 HA GLN 11 -3.210 -3.629 14.892
60 HB2 GLN 11 HB2 GLN 11 -2.703 -5.736 13.010
61 HB3 GLN 11 HB1 GLN 11 -3.147 -6.107 14.711
62 HG2 GLN 11 HG2 GLN 11 -5.332 -4.955 14.083
63 HG3 GLN 11 HG1 GLN 11 -4.638 -4.960 12.446
64 HE21 GLN 11 HE21 GLN 11 -4.407 -6.900 11.349
65 HE22 GLN 11 HE22 GLN 11 -5.229 -8.340 11.777
66 H ASP 12 HN ASP 12 -1.073 -3.280 12.542
67 HA ASP 12 HA ASP 12 0.894 -4.704 13.983
68 HB2 ASP 12 HB2 ASP 12 0.992 -5.276 11.805
69 HB3 ASP 12 HB1 ASP 12 1.069 -3.581 11.269
70 H THR 13 HN THR 13 2.061 -3.951 14.996
71 HA THR 13 HA THR 13 2.152 -1.718 16.462
72 HB THR 13 HB THR 13 4.444 -2.451 17.056
73 HG1 THR 13 HG1 THR 13 3.938 -4.146 14.836
74 HG21 THR 13 HG21 THR 13 2.219 -4.500 17.020
75 HG22 THR 13 HG22 THR 13 2.460 -3.257 18.250
76 HG23 THR 13 HG23 THR 13 3.631 -4.561 18.072
77 H LYS 14 HN LYS 14 3.647 -1.944 13.295
78 HA LYS 14 HA LYS 14 5.552 0.167 13.776
79 HB2 LYS 14 HB2 LYS 14 4.809 -1.396 11.405
80 HB3 LYS 14 HB1 LYS 14 6.324 -0.463 11.553
81 HG2 LYS 14 HG2 LYS 14 6.958 -2.091 13.339
82 HG3 LYS 14 HG1 LYS 14 5.445 -2.947 13.003
83 HD2 LYS 14 HD2 LYS 14 6.271 -3.058 10.577
84 HD3 LYS 14 HD1 LYS 14 7.854 -2.636 11.234
85 HE2 LYS 14 HE2 LYS 14 7.665 -5.038 11.018
86 HE3 LYS 14 HE1 LYS 14 7.720 -4.597 12.725
87 HZ1 LYS 14 HZ1 LYS 14 5.351 -4.927 12.902
88 HZ2 LYS 14 HZ2 LYS 14 5.885 -6.290 12.077
89 HZ3 LYS 14 HZ3 LYS 14 5.170 -4.989 11.289
90 H VAL 15 HN VAL 15 2.534 -0.456 12.300
91 HA VAL 15 HA VAL 15 2.683 1.884 10.629
92 HB VAL 15 HB VAL 15 0.378 0.456 10.482
93 HG11 VAL 15 HG11 VAL 15 1.250 1.740 8.602
94 HG12 VAL 15 HG12 VAL 15 1.086 0.076 8.043
95 HG13 VAL 15 HG13 VAL 15 2.671 0.700 8.500
96 HG21 VAL 15 HG21 VAL 15 1.269 -1.760 9.440
97 HG22 VAL 15 HG22 VAL 15 1.065 -1.607 11.155
98 HG23 VAL 15 HG23 VAL 15 2.692 -1.440 10.447
99 H TYR 16 HN TYR 16 2.166 3.490 12.210
100 HA TYR 16 HA TYR 16 -0.634 3.464 12.770
101 HB2 TYR 16 HB2 TYR 16 -0.316 4.109 15.112
102 HB3 TYR 16 HB1 TYR 16 0.359 2.539 14.621
103 HD1 TYR 16 HD1 TYR 16 2.618 2.001 14.789
104 HD2 TYR 16 HD2 TYR 16 1.321 5.946 15.700
105 HE1 TYR 16 HE1 TYR 16 4.782 2.458 15.831
106 HE2 TYR 16 HE2 TYR 16 3.503 6.418 16.740
107 HH TYR 16 HH TYR 16 6.183 4.549 16.319
108 H CYS 17 HN CYS 17 -1.163 5.560 14.091
109 HA CYS 17 HA CYS 17 -2.141 7.311 13.518
110 HB2 CYS 17 HB2 CYS 17 -0.698 8.635 14.136
111 HB3 CYS 17 HB1 CYS 17 0.689 7.881 13.270
112 H THR 18 HN THR 18 -2.642 8.927 11.750
113 HA THR 18 HA THR 18 -3.005 7.509 9.261
114 HB THR 18 HB THR 18 -4.696 6.465 10.584
115 HG1 THR 18 HG1 THR 18 -5.308 6.836 8.590
116 HG21 THR 18 HG21 THR 18 -4.946 8.061 12.363
117 HG22 THR 18 HG22 THR 18 -6.521 7.741 11.624
118 HG23 THR 18 HG23 THR 18 -5.640 9.226 11.241
119 H ARG 19 HN ARG 19 -4.585 8.606 8.073
120 HA ARG 19 HA ARG 19 -3.544 11.226 7.432
121 HB2 ARG 19 HB2 ARG 19 -5.136 11.278 5.565
122 HB3 ARG 19 HB1 ARG 19 -4.365 9.701 5.616
123 HG2 ARG 19 HG2 ARG 19 -6.926 10.042 7.046
124 HG3 ARG 19 HG1 ARG 19 -7.004 9.958 5.275
125 HD2 ARG 19 HD2 ARG 19 -6.203 7.748 5.305
126 HD3 ARG 19 HD1 ARG 19 -5.561 7.889 6.934
127 HE ARG 19 HE ARG 19 -8.363 8.252 6.934
128 HH11 ARG 19 HH11 ARG 19 -5.869 5.712 6.814
129 HH12 ARG 19 HH12 ARG 19 -6.831 4.486 7.410
130 HH21 ARG 19 HH21 ARG 19 -9.679 6.637 7.959
131 HH22 ARG 19 HH22 ARG 19 -9.129 5.022 8.075
132 H GLU 20 HN GLU 20 -5.927 9.977 9.372
133 HA GLU 20 HA GLU 20 -7.695 12.240 9.228
134 HB2 GLU 20 HB2 GLU 20 -7.754 9.729 10.784
135 HB3 GLU 20 HB1 GLU 20 -8.954 11.005 11.064
136 HG2 GLU 20 HG2 GLU 20 -9.551 10.835 8.640
137 HG3 GLU 20 HG1 GLU 20 -8.443 9.469 8.513
138 H SER 21 HN SER 21 -7.636 13.956 10.260
139 HA SER 21 HA SER 21 -5.925 14.503 12.559
140 HB2 SER 21 HB2 SER 21 -7.732 16.057 10.888
141 HB3 SER 21 HB1 SER 21 -6.476 16.783 11.930
142 HG SER 21 HG SER 21 -5.587 16.670 9.851
143 H ASN 22 HN ASN 22 -8.484 13.186 12.372
144 HA ASN 22 HA ASN 22 -10.676 14.637 13.617
145 HB2 ASN 22 HB2 ASN 22 -10.869 12.668 12.042
146 HB3 ASN 22 HB1 ASN 22 -10.318 11.663 13.374
147 HD21 ASN 22 HD21 ASN 22 -12.788 11.539 11.875
148 HD22 ASN 22 HD22 ASN 22 -14.061 11.746 13.032
149 HA PRO 23 HA PRO 23 -8.836 14.101 17.854
150 HB2 PRO 23 HB2 PRO 23 -11.405 15.431 18.543
151 HB3 PRO 23 HB1 PRO 23 -9.751 15.898 19.010
152 HG2 PRO 23 HG2 PRO 23 -11.034 17.317 17.229
153 HG3 PRO 23 HG1 PRO 23 -9.321 16.913 16.979
154 HD2 PRO 23 HD2 PRO 23 -11.733 15.674 15.713
155 HD3 PRO 23 HD1 PRO 23 -10.186 16.156 14.981
156 H HIS 24 HN HIS 24 -9.292 12.674 19.640
157 HA HIS 24 HA HIS 24 -11.706 10.940 19.774
158 HB2 HIS 24 HB2 HIS 24 -9.041 10.048 18.636
159 HB3 HIS 24 HB1 HIS 24 -10.164 9.038 19.543
160 HD1 HIS 24 HD1 HIS 24 -11.707 11.348 17.006
161 HD2 HIS 24 HD2 HIS 24 -10.440 7.403 17.249
162 HE1 HIS 24 HE1 HIS 24 -12.748 10.159 15.073
163 H CYS 25 HN CYS 25 -12.027 10.604 21.530
164 HA CYS 25 HA CYS 25 -9.840 10.316 23.478
165 HB2 CYS 25 HB2 CYS 25 -11.909 11.811 24.060
166 HB3 CYS 25 HB1 CYS 25 -12.781 10.264 24.048
167 H GLY 26 HN GLY 26 -9.165 8.332 23.408
168 HA2 GLY 26 HA2 GLY 26 -10.910 6.405 22.111
169 HA3 GLY 26 HA1 GLY 26 -9.213 6.217 22.471
170 H SER 27 HN SER 27 -10.750 4.102 22.880
171 HA SER 27 HA SER 27 -11.555 4.169 25.478
172 HB2 SER 27 HB2 SER 27 -10.952 1.749 23.742
173 HB3 SER 27 HB1 SER 27 -11.761 1.651 25.310
174 HG SER 27 HG SER 27 -13.532 2.128 24.274
175 H ASP 28 HN ASP 28 -8.610 4.524 24.239
176 HA ASP 28 HA ASP 28 -6.601 3.268 25.838
177 HB2 ASP 28 HB2 ASP 28 -6.329 4.498 23.627
178 HB3 ASP 28 HB1 ASP 28 -6.814 5.969 24.440
179 H GLY 29 HN GLY 29 -9.041 5.470 26.222
180 HA2 GLY 29 HA2 GLY 29 -9.841 6.184 28.326
181 HA3 GLY 29 HA1 GLY 29 -8.179 6.046 28.933
182 H GLN 30 HN GLN 30 -7.072 7.114 26.672
183 HA GLN 30 HA GLN 30 -7.264 9.791 27.583
184 HB2 GLN 30 HB2 GLN 30 -5.187 8.504 25.916
185 HB3 GLN 30 HB1 GLN 30 -5.140 10.184 26.476
186 HG2 GLN 30 HG2 GLN 30 -5.417 9.573 28.573
187 HG3 GLN 30 HG1 GLN 30 -5.579 7.834 28.108
188 HE21 GLN 30 HE21 GLN 30 -3.665 6.802 27.294
189 HE22 GLN 30 HE22 GLN 30 -2.074 7.372 27.682
190 H THR 31 HN THR 31 -7.009 11.512 26.370
191 HA THR 31 HA THR 31 -8.439 11.406 23.786
192 HB THR 31 HB THR 31 -7.758 13.887 25.358
193 HG1 THR 31 HG1 THR 31 -9.609 12.120 25.846
194 HG21 THR 31 HG21 THR 31 -9.544 13.509 22.892
195 HG22 THR 31 HG22 THR 31 -7.961 14.235 22.891
196 HG23 THR 31 HG23 THR 31 -9.292 15.003 23.785
197 H TYR 32 HN TYR 32 -7.479 11.631 22.035
198 HA TYR 32 HA TYR 32 -4.832 12.773 22.099
199 HB2 TYR 32 HB2 TYR 32 -5.950 10.595 20.351
200 HB3 TYR 32 HB1 TYR 32 -4.393 11.382 20.099
201 HD1 TYR 32 HD1 TYR 32 -6.276 9.175 22.374
202 HD2 TYR 32 HD2 TYR 32 -2.499 10.896 21.462
203 HE1 TYR 32 HE1 TYR 32 -5.213 7.679 23.981
204 HE2 TYR 32 HE2 TYR 32 -1.426 9.402 23.080
205 HH TYR 32 HH TYR 32 -3.325 7.005 24.909
206 H GLY 33 HN GLY 33 -4.334 14.022 20.464
207 HA2 GLY 33 HA2 GLY 33 -6.231 15.975 19.803
208 HA3 GLY 33 HA1 GLY 33 -4.638 15.856 19.076
209 H ASN 34 HN ASN 34 -5.259 13.116 18.046
210 HA ASN 34 HA ASN 34 -7.479 13.428 16.352
211 HB2 ASN 34 HB2 ASN 34 -6.204 13.321 14.224
212 HB3 ASN 34 HB1 ASN 34 -6.065 14.843 15.062
213 HD21 ASN 34 HD21 ASN 34 -4.157 15.411 14.075
214 HD22 ASN 34 HD22 ASN 34 -2.655 14.644 14.441
215 H LYS 35 HN LYS 35 -7.522 11.614 14.770
216 HA LYS 35 HA LYS 35 -7.246 9.210 16.158
217 HB2 LYS 35 HB2 LYS 35 -8.910 9.658 14.313
218 HB3 LYS 35 HB1 LYS 35 -7.494 9.611 13.248
219 HG2 LYS 35 HG2 LYS 35 -7.132 7.250 13.773
220 HG3 LYS 35 HG1 LYS 35 -8.503 7.268 14.877
221 HD2 LYS 35 HD2 LYS 35 -8.714 7.845 11.916
222 HD3 LYS 35 HD1 LYS 35 -8.992 6.258 12.629
223 HE2 LYS 35 HE2 LYS 35 -10.831 7.167 13.949
224 HE3 LYS 35 HE1 LYS 35 -10.522 8.773 13.299
225 HZ1 LYS 35 HZ1 LYS 35 -12.372 7.585 12.210
226 HZ2 LYS 35 HZ2 LYS 35 -11.241 6.483 11.539
227 HZ3 LYS 35 HZ3 LYS 35 -11.169 8.116 11.187
228 H CYS 36 HN CYS 36 -5.401 10.634 13.982
229 HA CYS 36 HA CYS 36 -3.432 8.813 13.408
230 HB2 CYS 36 HB2 CYS 36 -3.236 10.914 12.360
231 HB3 CYS 36 HB1 CYS 36 -3.370 11.754 13.889
232 H ALA 37 HN ALA 37 -3.515 10.867 16.092
233 HA ALA 37 HA ALA 37 -1.268 9.995 17.560
234 HB1 ALA 37 HB1 ALA 37 -2.375 11.364 19.388
235 HB2 ALA 37 HB2 ALA 37 -3.749 11.509 18.260
236 HB3 ALA 37 HB3 ALA 37 -2.204 12.178 17.827
237 H PHE 38 HN PHE 38 -4.683 9.264 17.769
238 HA PHE 38 HA PHE 38 -4.325 7.347 19.960
239 HB2 PHE 38 HB2 PHE 38 -6.261 8.644 20.235
240 HB3 PHE 38 HB1 PHE 38 -6.737 8.478 18.551
241 HD1 PHE 38 HD1 PHE 38 -6.076 6.238 21.488
242 HD2 PHE 38 HD2 PHE 38 -8.585 7.238 18.209
243 HE1 PHE 38 HE1 PHE 38 -7.591 4.389 22.078
244 HE2 PHE 38 HE2 PHE 38 -10.098 5.400 18.798
245 HZ PHE 38 HZ PHE 38 -9.590 3.972 20.726
246 H CYS 39 HN CYS 39 -4.201 6.983 16.614
247 HA CYS 39 HA CYS 39 -5.597 4.506 16.289
248 HB2 CYS 39 HB2 CYS 39 -4.964 6.123 14.449
249 HB3 CYS 39 HB1 CYS 39 -3.310 5.578 14.642
250 H LYS 40 HN LYS 40 -2.467 5.270 17.547
251 HA LYS 40 HA LYS 40 -1.254 2.926 16.793
252 HB2 LYS 40 HB2 LYS 40 0.160 3.619 18.695
253 HB3 LYS 40 HB1 LYS 40 0.110 4.687 17.202
254 HG2 LYS 40 HG2 LYS 40 0.323 6.105 19.186
255 HG3 LYS 40 HG1 LYS 40 -1.364 6.183 18.707
256 HD2 LYS 40 HD2 LYS 40 -1.932 4.582 20.327
257 HD3 LYS 40 HD1 LYS 40 -0.268 4.392 20.907
258 HE2 LYS 40 HE2 LYS 40 -0.366 6.804 21.626
259 HE3 LYS 40 HE1 LYS 40 -2.045 6.859 21.098
260 HZ1 LYS 40 HZ1 LYS 40 -1.841 6.529 23.513
261 HZ2 LYS 40 HZ2 LYS 40 -1.045 5.082 23.331
262 HZ3 LYS 40 HZ3 LYS 40 -2.639 5.235 22.881
263 H ALA 41 HN ALA 41 -2.994 3.963 19.185
264 HA ALA 41 HA ALA 41 -2.508 2.044 21.270
265 HB1 ALA 41 HB1 ALA 41 -4.776 3.689 20.501
266 HB2 ALA 41 HB2 ALA 41 -3.594 4.054 21.782
267 HB3 ALA 41 HB3 ALA 41 -4.813 2.749 22.004
268 H ILE 42 HN ILE 42 -4.700 2.329 18.517
269 HA ILE 42 HA ILE 42 -6.329 0.147 19.267
270 HB ILE 42 HB ILE 42 -5.870 1.863 16.851
271 HG12 ILE 42 HG12 ILE 42 -8.185 1.685 18.703
272 HG13 ILE 42 HG11 ILE 42 -6.663 2.595 18.944
273 HG21 ILE 42 HG21 ILE 42 -7.897 0.859 15.948
274 HG22 ILE 42 HG22 ILE 42 -7.908 -0.296 17.307
275 HG23 ILE 42 HG23 ILE 42 -6.537 -0.251 16.158
276 HD11 ILE 42 HD11 ILE 42 -8.255 2.928 16.465
277 HD12 ILE 42 HD12 ILE 42 -6.912 3.832 17.246
278 HD13 ILE 42 HD13 ILE 42 -8.534 3.911 17.942
279 H VAL 43 HN VAL 43 -3.943 0.915 17.021
280 HA VAL 43 HA VAL 43 -3.635 -1.433 15.510
281 HB VAL 43 HB VAL 43 -1.479 0.352 16.407
282 HG11 VAL 43 HG11 VAL 43 -0.779 -0.170 13.908
283 HG12 VAL 43 HG12 VAL 43 -1.990 -1.474 14.062
284 HG13 VAL 43 HG13 VAL 43 -0.612 -1.428 15.125
285 HG21 VAL 43 HG21 VAL 43 -3.341 0.889 14.110
286 HG22 VAL 43 HG22 VAL 43 -1.920 1.863 14.657
287 HG23 VAL 43 HG23 VAL 43 -3.288 1.668 15.707
288 H LYS 44 HN LYS 44 -1.927 -0.423 18.362
289 HA LYS 44 HA LYS 44 -0.266 -2.699 18.272
290 HB2 LYS 44 HB2 LYS 44 -0.782 -0.607 20.169
291 HB3 LYS 44 HB1 LYS 44 0.445 -1.835 20.593
292 HG2 LYS 44 HG2 LYS 44 1.547 -1.287 18.350
293 HG3 LYS 44 HG1 LYS 44 0.465 0.091 18.232
294 HD2 LYS 44 HD2 LYS 44 1.503 1.066 20.223
295 HD3 LYS 44 HD1 LYS 44 2.552 -0.352 20.377
296 HE2 LYS 44 HE2 LYS 44 3.473 0.114 18.128
297 HE3 LYS 44 HE1 LYS 44 2.475 1.558 18.032
298 HZ1 LYS 44 HZ1 LYS 44 4.731 2.073 18.641
299 HZ2 LYS 44 HZ2 LYS 44 4.657 1.069 19.991
300 HZ3 LYS 44 HZ3 LYS 44 3.709 2.472 19.924
301 H SER 45 HN SER 45 -3.062 -1.883 19.969
302 HA SER 45 HA SER 45 -3.081 -4.475 21.274
303 HB2 SER 45 HB2 SER 45 -5.166 -2.313 21.306
304 HB3 SER 45 HB1 SER 45 -5.177 -3.769 22.310
305 HG SER 45 HG SER 45 -2.801 -2.544 22.441
306 H GLY 46 HN GLY 46 -3.543 -3.891 18.122
307 HA2 GLY 46 HA2 GLY 46 -4.106 -5.485 16.756
308 HA3 GLY 46 HA1 GLY 46 -5.157 -6.177 18.055
309 H GLY 47 HN GLY 47 -5.791 -3.065 17.653
310 HA2 GLY 47 HA2 GLY 47 -7.440 -1.998 16.374
311 HA3 GLY 47 HA1 GLY 47 -7.864 -3.552 15.661
312 H LYS 48 HN LYS 48 -7.509 -4.340 18.735
313 HA LYS 48 HA LYS 48 -10.221 -4.518 19.167
314 HB2 LYS 48 HB2 LYS 48 -7.873 -5.109 20.868
315 HB3 LYS 48 HB1 LYS 48 -9.508 -5.409 21.445
316 HG2 LYS 48 HG2 LYS 48 -8.799 -7.534 20.537
317 HG3 LYS 48 HG1 LYS 48 -9.860 -6.760 19.341
318 HD2 LYS 48 HD2 LYS 48 -7.845 -5.991 18.125
319 HD3 LYS 48 HD1 LYS 48 -6.863 -6.938 19.237
320 HE2 LYS 48 HE2 LYS 48 -7.907 -8.988 18.452
321 HE3 LYS 48 HE1 LYS 48 -9.020 -8.067 17.442
322 HZ1 LYS 48 HZ1 LYS 48 -7.048 -7.226 16.191
323 HZ2 LYS 48 HZ2 LYS 48 -7.232 -8.867 16.025
324 HZ3 LYS 48 HZ3 LYS 48 -6.050 -8.255 17.059
325 H ILE 49 HN ILE 49 -8.019 -2.112 20.317
326 HA ILE 49 HA ILE 49 -9.973 -1.002 22.146
327 HB ILE 49 HB ILE 49 -7.578 0.374 20.894
328 HG12 ILE 49 HG12 ILE 49 -7.815 -0.830 23.633
329 HG13 ILE 49 HG11 ILE 49 -7.176 -1.708 22.246
330 HG21 ILE 49 HG21 ILE 49 -7.739 2.029 22.730
331 HG22 ILE 49 HG22 ILE 49 -9.066 1.153 23.427
332 HG23 ILE 49 HG23 ILE 49 -9.300 1.996 21.912
333 HD11 ILE 49 HD11 ILE 49 -6.077 0.863 23.310
334 HD12 ILE 49 HD12 ILE 49 -5.512 -0.166 21.959
335 HD13 ILE 49 HD13 ILE 49 -5.437 -0.779 23.611
336 H SER 50 HN SER 50 -11.167 0.962 21.809
337 HA SER 50 HA SER 50 -11.783 1.563 19.026
338 HB2 SER 50 HB2 SER 50 -13.806 0.916 21.194
339 HB3 SER 50 HB1 SER 50 -14.160 1.361 19.524
340 HG SER 50 HG SER 50 -12.468 -0.736 19.590
341 H LEU 51 HN LEU 51 -13.493 3.670 19.251
342 HA LEU 51 HA LEU 51 -12.178 5.393 20.780
343 HB2 LEU 51 HB2 LEU 51 -12.920 5.649 18.555
344 HB3 LEU 51 HB1 LEU 51 -14.576 5.422 19.104
345 HG LEU 51 HG LEU 51 -14.279 7.232 20.643
346 HD11 LEU 51 HD11 LEU 51 -11.711 7.141 19.309
347 HD12 LEU 51 HD12 LEU 51 -12.131 7.274 21.025
348 HD13 LEU 51 HD13 LEU 51 -12.265 8.717 19.969
349 HD21 LEU 51 HD21 LEU 51 -14.533 8.830 19.188
350 HD22 LEU 51 HD22 LEU 51 -15.204 7.260 18.522
351 HD23 LEU 51 HD23 LEU 51 -13.671 7.942 17.868
352 H LYS 52 HN LYS 52 -12.971 6.397 22.626
353 HA LYS 52 HA LYS 52 -15.404 5.591 23.778
354 HB2 LYS 52 HB2 LYS 52 -13.375 5.920 25.114
355 HB3 LYS 52 HB1 LYS 52 -13.297 7.569 24.485
356 HG2 LYS 52 HG2 LYS 52 -15.478 7.841 25.249
357 HG3 LYS 52 HG1 LYS 52 -15.335 6.379 26.278
358 HD2 LYS 52 HD2 LYS 52 -13.795 9.007 26.401
359 HD3 LYS 52 HD1 LYS 52 -14.761 8.296 27.684
360 HE2 LYS 52 HE2 LYS 52 -13.118 6.566 28.024
361 HE3 LYS 52 HE1 LYS 52 -12.201 7.105 26.614
362 HZ1 LYS 52 HZ1 LYS 52 -12.600 8.627 29.144
363 HZ2 LYS 52 HZ2 LYS 52 -11.959 9.260 27.732
364 HZ3 LYS 52 HZ3 LYS 52 -11.119 8.054 28.517
365 H HIS 53 HN HIS 53 -13.975 8.434 22.532
366 HA HIS 53 HA HIS 53 -16.669 9.597 22.057
367 HB2 HIS 53 HB2 HIS 53 -14.504 11.149 23.514
368 HB3 HIS 53 HB1 HIS 53 -15.979 11.824 22.892
369 HD1 HIS 53 HD1 HIS 53 -15.264 12.255 25.757
370 HD2 HIS 53 HD2 HIS 53 -17.586 9.064 24.477
371 HE1 HIS 53 HE1 HIS 53 -16.623 11.528 27.760
372 HA PRO 54 HA PRO 54 -14.319 11.322 18.591
373 HB2 PRO 54 HB2 PRO 54 -16.771 12.765 17.905
374 HB3 PRO 54 HB1 PRO 54 -15.995 11.464 16.983
375 HG2 PRO 54 HG2 PRO 54 -18.385 11.154 18.193
376 HG3 PRO 54 HG1 PRO 54 -17.237 9.825 17.940
377 HD2 PRO 54 HD2 PRO 54 -17.789 11.371 20.432
378 HD3 PRO 54 HD1 PRO 54 -17.460 9.636 20.207
379 H GLY 55 HN GLY 55 -13.058 12.898 19.376
380 HA2 GLY 55 HA2 GLY 55 -12.768 15.267 19.878
381 HA3 GLY 55 HA1 GLY 55 -14.343 15.217 20.653
382 H LYS 56 HN LYS 56 -12.703 16.244 22.284
383 HA LYS 56 HA LYS 56 -11.054 14.694 23.801
384 HB2 LYS 56 HB2 LYS 56 -12.660 17.089 24.386
385 HB3 LYS 56 HB1 LYS 56 -11.536 16.366 25.536
386 HG2 LYS 56 HG2 LYS 56 -9.779 16.775 23.818
387 HG3 LYS 56 HG1 LYS 56 -11.027 17.680 22.931
388 HD2 LYS 56 HD2 LYS 56 -9.642 19.213 24.304
389 HD3 LYS 56 HD1 LYS 56 -11.300 19.176 24.887
390 HE2 LYS 56 HE2 LYS 56 -9.208 17.389 26.144
391 HE3 LYS 56 HE1 LYS 56 -9.299 19.077 26.602
392 HZ1 LYS 56 HZ1 LYS 56 -11.638 17.157 26.969
393 HZ2 LYS 56 HZ2 LYS 56 -11.519 18.683 27.564
394 HZ3 LYS 56 HZ3 LYS 56 -10.509 17.482 28.101
395 H CYS 57 HN CYS 57 -11.195 14.204 25.819
396 HA CYS 57 HA CYS 57 -13.803 13.995 27.114
397 HB2 CYS 57 HB2 CYS 57 -11.119 12.700 27.730
398 HB3 CYS 57 HB1 CYS 57 -12.453 12.706 28.879
Start of MODEL 10
1 H GLN 1 HT1 GLN 1 5.526 0.069 8.637
2 HA GLN 1 HA GLN 1 4.397 2.623 7.691
3 HB2 GLN 1 HB2 GLN 1 5.962 2.765 9.701
4 HB3 GLN 1 HB1 GLN 1 7.223 2.115 8.661
5 HG2 GLN 1 HG2 GLN 1 7.421 4.510 8.789
6 HG3 GLN 1 HG1 GLN 1 6.933 4.047 7.156
7 HE21 GLN 1 HE21 GLN 1 5.994 6.029 6.702
8 HE22 GLN 1 HE22 GLN 1 4.513 6.520 7.428
9 H GLY 2 HN GLY 2 4.051 1.947 5.640
10 HA2 GLY 2 HA2 GLY 2 6.429 0.915 4.203
11 HA3 GLY 2 HA1 GLY 2 4.781 0.457 3.806
12 H GLY 3 HN GLY 3 3.956 3.345 4.240
13 HA2 GLY 3 HA2 GLY 3 5.331 4.844 2.207
14 HA3 GLY 3 HA1 GLY 3 3.808 4.160 1.631
15 H GLN 4 HN GLN 4 1.988 4.452 3.159
16 HA GLN 4 HA GLN 4 1.662 7.241 3.893
17 HB2 GLN 4 HB2 GLN 4 -0.596 6.546 4.443
18 HB3 GLN 4 HB1 GLN 4 -0.109 5.841 2.897
19 HG2 GLN 4 HG2 GLN 4 0.271 3.696 3.911
20 HG3 GLN 4 HG1 GLN 4 -0.075 4.352 5.508
21 HE21 GLN 4 HE21 GLN 4 -2.340 5.973 4.551
22 HE22 GLN 4 HE22 GLN 4 -3.596 4.822 4.246
23 H VAL 5 HN VAL 5 0.576 7.453 6.148
24 HA VAL 5 HA VAL 5 2.578 6.362 7.902
25 HB VAL 5 HB VAL 5 0.288 8.110 8.831
26 HG11 VAL 5 HG11 VAL 5 1.434 6.861 10.586
27 HG12 VAL 5 HG12 VAL 5 1.783 8.584 10.726
28 HG13 VAL 5 HG13 VAL 5 2.989 7.492 10.043
29 HG21 VAL 5 HG21 VAL 5 3.054 8.950 7.940
30 HG22 VAL 5 HG22 VAL 5 1.856 10.006 8.687
31 HG23 VAL 5 HG23 VAL 5 1.544 9.304 7.100
32 H ASP 6 HN ASP 6 1.890 4.249 7.377
33 HA ASP 6 HA ASP 6 -0.322 3.295 8.938
34 HB2 ASP 6 HB2 ASP 6 0.334 1.026 8.031
35 HB3 ASP 6 HB1 ASP 6 -0.025 2.184 6.769
36 H CYS 7 HN CYS 7 0.039 3.609 10.859
37 HA CYS 7 HA CYS 7 2.208 4.358 12.212
38 HB2 CYS 7 HB2 CYS 7 -0.089 2.930 13.354
39 HB3 CYS 7 HB1 CYS 7 1.107 3.823 14.283
40 H GLY 8 HN GLY 8 3.882 3.681 11.443
41 HA2 GLY 8 HA2 GLY 8 5.940 2.817 11.859
42 HA3 GLY 8 HA1 GLY 8 5.379 2.538 13.499
43 H GLU 9 HN GLU 9 4.074 0.745 13.808
44 HA GLU 9 HA GLU 9 5.256 -1.603 12.683
45 HB2 GLU 9 HB2 GLU 9 3.514 -0.899 14.945
46 HB3 GLU 9 HB1 GLU 9 3.980 -2.588 14.617
47 HG2 GLU 9 HG2 GLU 9 6.224 -2.121 15.179
48 HG3 GLU 9 HG1 GLU 9 5.971 -0.379 15.055
49 H PHE 10 HN PHE 10 2.195 0.227 12.801
50 HA PHE 10 HA PHE 10 0.021 -0.245 11.997
51 HB2 PHE 10 HB2 PHE 10 1.653 -0.060 10.062
52 HB3 PHE 10 HB1 PHE 10 1.541 -1.839 10.264
53 HD1 PHE 10 HD1 PHE 10 -1.234 0.629 10.326
54 HD2 PHE 10 HD2 PHE 10 0.537 -2.594 8.186
55 HE1 PHE 10 HE1 PHE 10 -3.203 0.526 8.863
56 HE2 PHE 10 HE2 PHE 10 -1.435 -2.704 6.719
57 HZ PHE 10 HZ PHE 10 -3.307 -1.142 7.056
58 H GLN 11 HN GLN 11 0.875 -1.916 13.757
59 HA GLN 11 HA GLN 11 0.955 -4.648 13.609
60 HB2 GLN 11 HB2 GLN 11 -0.194 -2.885 15.587
61 HB3 GLN 11 HB1 GLN 11 -0.038 -4.636 15.973
62 HG2 GLN 11 HG2 GLN 11 1.995 -2.754 15.056
63 HG3 GLN 11 HG1 GLN 11 1.744 -3.060 16.784
64 HE21 GLN 11 HE21 GLN 11 3.961 -3.816 17.014
65 HE22 GLN 11 HE22 GLN 11 4.421 -5.357 16.390
66 H ASP 12 HN ASP 12 -1.718 -2.741 13.624
67 HA ASP 12 HA ASP 12 -3.432 -4.969 13.036
68 HB2 ASP 12 HB2 ASP 12 -3.760 -4.225 15.314
69 HB3 ASP 12 HB1 ASP 12 -3.926 -2.588 14.658
70 H THR 13 HN THR 13 -5.128 -4.358 12.081
71 HA THR 13 HA THR 13 -4.879 -3.561 9.506
72 HB THR 13 HB THR 13 -7.361 -3.724 9.483
73 HG1 THR 13 HG1 THR 13 -6.962 -4.432 12.251
74 HG21 THR 13 HG21 THR 13 -5.888 -5.632 9.016
75 HG22 THR 13 HG22 THR 13 -7.309 -6.157 9.918
76 HG23 THR 13 HG23 THR 13 -5.763 -5.963 10.744
77 H LYS 14 HN LYS 14 -6.733 -1.515 12.036
78 HA LYS 14 HA LYS 14 -7.265 0.290 9.878
79 HB2 LYS 14 HB2 LYS 14 -9.089 0.958 11.205
80 HB3 LYS 14 HB1 LYS 14 -8.832 -0.766 11.542
81 HG2 LYS 14 HG2 LYS 14 -7.357 0.958 13.204
82 HG3 LYS 14 HG1 LYS 14 -9.116 1.119 13.550
83 HD2 LYS 14 HD2 LYS 14 -7.194 -1.233 13.713
84 HD3 LYS 14 HD1 LYS 14 -7.899 -0.366 15.061
85 HE2 LYS 14 HE2 LYS 14 -10.122 -1.213 14.415
86 HE3 LYS 14 HE1 LYS 14 -9.371 -2.126 13.101
87 HZ1 LYS 14 HZ1 LYS 14 -9.590 -3.605 15.025
88 HZ2 LYS 14 HZ2 LYS 14 -8.783 -2.456 15.997
89 HZ3 LYS 14 HZ3 LYS 14 -7.958 -3.191 14.799
90 H VAL 15 HN VAL 15 -4.676 -0.115 11.710
91 HA VAL 15 HA VAL 15 -4.733 2.395 13.096
92 HB VAL 15 HB VAL 15 -2.452 0.499 13.088
93 HG11 VAL 15 HG11 VAL 15 -3.562 2.464 15.065
94 HG12 VAL 15 HG12 VAL 15 -2.053 2.607 14.160
95 HG13 VAL 15 HG13 VAL 15 -2.238 1.367 15.408
96 HG21 VAL 15 HG21 VAL 15 -4.935 0.295 14.775
97 HG22 VAL 15 HG22 VAL 15 -3.445 -0.616 15.035
98 HG23 VAL 15 HG23 VAL 15 -4.382 -0.856 13.558
99 H TYR 16 HN TYR 16 -4.753 3.545 11.121
100 HA TYR 16 HA TYR 16 -2.037 4.276 10.283
101 HB2 TYR 16 HB2 TYR 16 -2.836 4.767 8.053
102 HB3 TYR 16 HB1 TYR 16 -3.500 3.178 8.448
103 HD1 TYR 16 HD1 TYR 16 -5.924 3.034 9.190
104 HD2 TYR 16 HD2 TYR 16 -4.260 6.575 7.520
105 HE1 TYR 16 HE1 TYR 16 -8.182 3.918 8.815
106 HE2 TYR 16 HE2 TYR 16 -6.514 7.461 7.136
107 HH TYR 16 HH TYR 16 -8.838 6.538 6.872
108 H CYS 17 HN CYS 17 -1.815 6.618 10.202
109 HA CYS 17 HA CYS 17 -4.087 7.935 11.515
110 HB2 CYS 17 HB2 CYS 17 -2.664 9.190 12.808
111 HB3 CYS 17 HB1 CYS 17 -1.876 7.612 12.679
112 H THR 18 HN THR 18 -3.757 10.360 11.338
113 HA THR 18 HA THR 18 -3.338 11.174 8.576
114 HB THR 18 HB THR 18 -5.698 10.700 8.695
115 HG1 THR 18 HG1 THR 18 -6.432 12.585 7.954
116 HG21 THR 18 HG21 THR 18 -7.198 11.800 10.323
117 HG22 THR 18 HG22 THR 18 -5.797 12.575 11.059
118 HG23 THR 18 HG23 THR 18 -5.979 10.836 11.173
119 H ARG 19 HN ARG 19 -3.681 13.335 8.542
120 HA ARG 19 HA ARG 19 -2.118 14.653 10.674
121 HB2 ARG 19 HB2 ARG 19 -1.621 16.461 8.968
122 HB3 ARG 19 HB1 ARG 19 -0.914 14.893 8.647
123 HG2 ARG 19 HG2 ARG 19 -1.692 15.627 6.504
124 HG3 ARG 19 HG1 ARG 19 -2.881 14.489 7.175
125 HD2 ARG 19 HD2 ARG 19 -3.733 16.630 6.013
126 HD3 ARG 19 HD1 ARG 19 -4.491 16.025 7.477
127 HE ARG 19 HE ARG 19 -2.472 17.923 8.071
128 HH11 ARG 19 HH11 ARG 19 -5.640 17.871 6.528
129 HH12 ARG 19 HH12 ARG 19 -6.320 19.038 7.566
130 HH21 ARG 19 HH21 ARG 19 -3.435 19.745 9.405
131 HH22 ARG 19 HH22 ARG 19 -5.068 20.149 9.086
132 H GLU 20 HN GLU 20 -5.053 14.460 9.251
133 HA GLU 20 HA GLU 20 -6.063 17.044 10.070
134 HB2 GLU 20 HB2 GLU 20 -7.200 14.782 8.681
135 HB3 GLU 20 HB1 GLU 20 -8.289 15.336 9.946
136 HG2 GLU 20 HG2 GLU 20 -7.214 16.901 7.617
137 HG3 GLU 20 HG1 GLU 20 -8.894 16.501 7.979
138 H SER 21 HN SER 21 -7.908 17.228 11.633
139 HA SER 21 HA SER 21 -6.974 15.833 13.986
140 HB2 SER 21 HB2 SER 21 -8.715 18.259 13.940
141 HB3 SER 21 HB1 SER 21 -7.914 17.395 15.284
142 HG SER 21 HG SER 21 -6.594 18.631 13.115
143 H ASN 22 HN ASN 22 -7.906 14.236 14.254
144 HA ASN 22 HA ASN 22 -10.848 14.014 14.148
145 HB2 ASN 22 HB2 ASN 22 -8.867 11.732 13.857
146 HB3 ASN 22 HB1 ASN 22 -10.609 11.549 13.908
147 HD21 ASN 22 HD21 ASN 22 -10.886 14.057 12.194
148 HD22 ASN 22 HD22 ASN 22 -10.510 13.509 10.610
149 HA PRO 23 HA PRO 23 -9.763 13.885 18.589
150 HB2 PRO 23 HB2 PRO 23 -12.661 14.466 18.808
151 HB3 PRO 23 HB1 PRO 23 -11.296 15.353 19.527
152 HG2 PRO 23 HG2 PRO 23 -12.661 16.412 17.541
153 HG3 PRO 23 HG1 PRO 23 -10.894 16.572 17.617
154 HD2 PRO 23 HD2 PRO 23 -12.529 14.720 15.935
155 HD3 PRO 23 HD1 PRO 23 -11.098 15.681 15.500
156 H HIS 24 HN HIS 24 -9.791 11.954 19.704
157 HA HIS 24 HA HIS 24 -12.014 10.050 19.338
158 HB2 HIS 24 HB2 HIS 24 -9.131 9.421 18.654
159 HB3 HIS 24 HB1 HIS 24 -10.461 8.296 18.927
160 HD1 HIS 24 HD1 HIS 24 -12.314 10.399 17.006
161 HD2 HIS 24 HD2 HIS 24 -8.907 8.223 16.078
162 HE1 HIS 24 HE1 HIS 24 -12.418 9.962 14.525
163 H CYS 25 HN CYS 25 -12.541 9.473 20.952
164 HA CYS 25 HA CYS 25 -10.746 9.004 23.203
165 HB2 CYS 25 HB2 CYS 25 -12.935 10.193 23.617
166 HB3 CYS 25 HB1 CYS 25 -13.733 8.795 22.887
167 H GLY 26 HN GLY 26 -9.816 7.065 22.861
168 HA2 GLY 26 HA2 GLY 26 -10.937 5.240 20.990
169 HA3 GLY 26 HA1 GLY 26 -9.499 4.993 21.974
170 H SER 27 HN SER 27 -11.555 3.196 21.416
171 HA SER 27 HA SER 27 -13.263 2.615 23.434
172 HB2 SER 27 HB2 SER 27 -11.561 0.587 21.978
173 HB3 SER 27 HB1 SER 27 -13.029 0.211 22.882
174 HG SER 27 HG SER 27 -14.232 1.216 21.387
175 H ASP 28 HN ASP 28 -9.775 2.523 23.621
176 HA ASP 28 HA ASP 28 -9.731 1.185 26.190
177 HB2 ASP 28 HB2 ASP 28 -7.581 2.228 24.353
178 HB3 ASP 28 HB1 ASP 28 -7.227 1.859 26.035
179 H GLY 29 HN GLY 29 -10.934 3.823 25.403
180 HA2 GLY 29 HA2 GLY 29 -11.814 5.292 27.004
181 HA3 GLY 29 HA1 GLY 29 -10.553 4.750 28.117
182 H GLN 30 HN GLN 30 -8.603 5.039 26.176
183 HA GLN 30 HA GLN 30 -7.990 7.652 26.916
184 HB2 GLN 30 HB2 GLN 30 -6.378 5.736 25.360
185 HB3 GLN 30 HB1 GLN 30 -5.814 7.363 25.795
186 HG2 GLN 30 HG2 GLN 30 -6.345 7.033 27.974
187 HG3 GLN 30 HG1 GLN 30 -6.983 5.403 27.595
188 HE21 GLN 30 HE21 GLN 30 -4.792 4.771 25.777
189 HE22 GLN 30 HE22 GLN 30 -3.390 4.484 26.749
190 H THR 31 HN THR 31 -7.787 9.347 26.093
191 HA THR 31 HA THR 31 -8.928 9.778 23.392
192 HB THR 31 HB THR 31 -8.922 11.737 25.684
193 HG1 THR 31 HG1 THR 31 -10.418 9.790 25.688
194 HG21 THR 31 HG21 THR 31 -8.821 12.831 23.447
195 HG22 THR 31 HG22 THR 31 -10.367 13.117 24.258
196 HG23 THR 31 HG23 THR 31 -10.259 11.949 22.942
197 H TYR 32 HN TYR 32 -7.846 10.757 21.918
198 HA TYR 32 HA TYR 32 -5.816 12.637 22.725
199 HB2 TYR 32 HB2 TYR 32 -5.513 10.407 20.827
200 HB3 TYR 32 HB1 TYR 32 -4.789 11.943 20.421
201 HD1 TYR 32 HD1 TYR 32 -3.021 12.924 21.829
202 HD2 TYR 32 HD2 TYR 32 -4.494 9.007 22.558
203 HE1 TYR 32 HE1 TYR 32 -0.981 12.401 23.077
204 HE2 TYR 32 HE2 TYR 32 -2.454 8.477 23.826
205 HH TYR 32 HH TYR 32 -0.317 10.714 24.910
206 H GLY 33 HN GLY 33 -5.274 13.996 21.041
207 HA2 GLY 33 HA2 GLY 33 -7.459 15.522 20.100
208 HA3 GLY 33 HA1 GLY 33 -5.785 15.811 19.668
209 H ASN 34 HN ASN 34 -5.279 13.302 18.244
210 HA ASN 34 HA ASN 34 -7.379 13.222 16.331
211 HB2 ASN 34 HB2 ASN 34 -5.967 13.580 14.359
212 HB3 ASN 34 HB1 ASN 34 -5.890 14.977 15.414
213 HD21 ASN 34 HD21 ASN 34 -4.019 15.648 14.398
214 HD22 ASN 34 HD22 ASN 34 -2.492 14.900 14.683
215 H LYS 35 HN LYS 35 -6.572 11.529 14.567
216 HA LYS 35 HA LYS 35 -6.472 9.170 16.108
217 HB2 LYS 35 HB2 LYS 35 -7.679 9.368 13.908
218 HB3 LYS 35 HB1 LYS 35 -6.049 9.453 13.209
219 HG2 LYS 35 HG2 LYS 35 -5.643 7.212 13.477
220 HG3 LYS 35 HG1 LYS 35 -6.706 7.077 14.873
221 HD2 LYS 35 HD2 LYS 35 -7.620 5.851 12.968
222 HD3 LYS 35 HD1 LYS 35 -8.665 7.195 13.405
223 HE2 LYS 35 HE2 LYS 35 -7.710 8.501 11.537
224 HE3 LYS 35 HE1 LYS 35 -6.709 7.115 11.100
225 HZ1 LYS 35 HZ1 LYS 35 -8.759 5.826 10.789
226 HZ2 LYS 35 HZ2 LYS 35 -8.700 7.118 9.726
227 HZ3 LYS 35 HZ3 LYS 35 -9.683 7.200 11.103
228 H CYS 36 HN CYS 36 -4.251 10.678 14.321
229 HA CYS 36 HA CYS 36 -2.056 8.831 14.443
230 HB2 CYS 36 HB2 CYS 36 -2.328 11.171 13.202
231 HB3 CYS 36 HB1 CYS 36 -1.468 11.700 14.643
232 H ALA 37 HN ALA 37 -3.082 11.190 16.444
233 HA ALA 37 HA ALA 37 -1.003 11.356 18.329
234 HB1 ALA 37 HB1 ALA 37 -2.734 12.413 19.781
235 HB2 ALA 37 HB2 ALA 37 -3.911 11.706 18.653
236 HB3 ALA 37 HB3 ALA 37 -2.813 12.934 18.074
237 H PHE 38 HN PHE 38 -3.863 9.265 18.291
238 HA PHE 38 HA PHE 38 -2.799 7.771 20.628
239 HB2 PHE 38 HB2 PHE 38 -5.206 8.606 20.645
240 HB3 PHE 38 HB1 PHE 38 -5.529 7.484 19.338
241 HD1 PHE 38 HD2 PHE 38 -3.542 7.039 22.463
242 HD2 PHE 38 HD1 PHE 38 -6.979 5.907 20.233
243 HE1 PHE 38 HE2 PHE 38 -4.039 5.313 24.119
244 HE2 PHE 38 HE1 PHE 38 -7.478 4.171 21.913
245 HZ PHE 38 HZ PHE 38 -6.011 3.876 23.846
246 H CYS 39 HN CYS 39 -2.490 7.651 17.453
247 HA CYS 39 HA CYS 39 -3.234 5.023 16.618
248 HB2 CYS 39 HB2 CYS 39 -2.659 7.054 15.190
249 HB3 CYS 39 HB1 CYS 39 -0.974 6.629 15.473
250 H LYS 40 HN LYS 40 -0.232 6.116 18.199
251 HA LYS 40 HA LYS 40 1.078 3.744 17.423
252 HB2 LYS 40 HB2 LYS 40 2.941 4.899 18.336
253 HB3 LYS 40 HB1 LYS 40 1.667 6.088 17.891
254 HG2 LYS 40 HG2 LYS 40 1.092 5.375 20.353
255 HG3 LYS 40 HG1 LYS 40 2.828 5.846 20.515
256 HD2 LYS 40 HD2 LYS 40 1.919 8.018 19.396
257 HD3 LYS 40 HD1 LYS 40 0.314 7.297 19.657
258 HE2 LYS 40 HE2 LYS 40 0.688 7.197 22.053
259 HE3 LYS 40 HE1 LYS 40 2.333 7.784 21.861
260 HZ1 LYS 40 HZ1 LYS 40 1.501 9.920 21.205
261 HZ2 LYS 40 HZ2 LYS 40 0.654 9.482 22.620
262 HZ3 LYS 40 HZ3 LYS 40 -0.075 9.338 21.113
263 H ALA 41 HN ALA 41 -0.650 4.924 19.733
264 HA ALA 41 HA ALA 41 -0.048 3.003 21.830
265 HB1 ALA 41 HB1 ALA 41 -1.939 3.770 22.846
266 HB2 ALA 41 HB2 ALA 41 -2.237 4.652 21.278
267 HB3 ALA 41 HB3 ALA 41 -0.837 5.128 22.329
268 H ILE 42 HN ILE 42 -2.400 3.299 19.201
269 HA ILE 42 HA ILE 42 -4.166 1.220 20.116
270 HB ILE 42 HB ILE 42 -3.471 2.524 17.493
271 HG12 ILE 42 HG12 ILE 42 -5.944 2.673 19.170
272 HG13 ILE 42 HG11 ILE 42 -4.434 3.566 19.411
273 HG21 ILE 42 HG21 ILE 42 -5.459 1.315 16.607
274 HG22 ILE 42 HG22 ILE 42 -5.494 0.356 18.128
275 HG23 ILE 42 HG23 ILE 42 -4.068 0.345 17.096
276 HD11 ILE 42 HD11 ILE 42 -5.701 3.651 16.753
277 HD12 ILE 42 HD12 ILE 42 -4.564 4.691 17.700
278 HD13 ILE 42 HD13 ILE 42 -6.283 4.697 18.094
279 H VAL 43 HN VAL 43 -1.538 1.645 18.145
280 HA VAL 43 HA VAL 43 -0.912 -0.957 17.331
281 HB VAL 43 HB VAL 43 0.969 1.214 18.143
282 HG11 VAL 43 HG11 VAL 43 2.121 -0.907 17.706
283 HG12 VAL 43 HG12 VAL 43 2.501 0.271 16.450
284 HG13 VAL 43 HG13 VAL 43 1.339 -1.018 16.129
285 HG21 VAL 43 HG21 VAL 43 0.912 1.986 15.853
286 HG22 VAL 43 HG22 VAL 43 -0.621 2.064 16.755
287 HG23 VAL 43 HG23 VAL 43 -0.365 0.788 15.527
288 H LYS 44 HN LYS 44 -0.219 0.677 20.390
289 HA LYS 44 HA LYS 44 1.429 -1.533 21.146
290 HB2 LYS 44 HB2 LYS 44 0.576 0.926 22.397
291 HB3 LYS 44 HB1 LYS 44 1.584 -0.206 23.336
292 HG2 LYS 44 HG2 LYS 44 2.279 1.462 20.903
293 HG3 LYS 44 HG1 LYS 44 3.129 1.388 22.447
294 HD2 LYS 44 HD2 LYS 44 3.812 -0.948 21.910
295 HD3 LYS 44 HD1 LYS 44 3.026 -0.784 20.342
296 HE2 LYS 44 HE2 LYS 44 4.522 1.139 19.864
297 HE3 LYS 44 HE1 LYS 44 5.385 0.773 21.358
298 HZ1 LYS 44 HZ1 LYS 44 6.553 -0.310 19.594
299 HZ2 LYS 44 HZ2 LYS 44 5.169 -0.781 18.888
300 HZ3 LYS 44 HZ3 LYS 44 5.653 -1.593 20.277
301 H SER 45 HN SER 45 -1.612 -0.263 21.876
302 HA SER 45 HA SER 45 -2.093 -2.234 23.901
303 HB2 SER 45 HB2 SER 45 -3.634 0.096 22.867
304 HB3 SER 45 HB1 SER 45 -4.322 -0.991 24.105
305 HG SER 45 HG SER 45 -3.287 0.334 25.381
306 H GLY 46 HN GLY 46 -1.883 -2.858 20.824
307 HA2 GLY 46 HA2 GLY 46 -2.336 -4.830 20.100
308 HA3 GLY 46 HA1 GLY 46 -3.753 -4.976 21.195
309 H GLY 47 HN GLY 47 -3.802 -2.219 19.389
310 HA2 GLY 47 HA2 GLY 47 -5.071 -1.608 17.552
311 HA3 GLY 47 HA1 GLY 47 -4.974 -3.282 16.996
312 H LYS 48 HN LYS 48 -6.081 -3.503 20.038
313 HA LYS 48 HA LYS 48 -8.703 -4.210 19.611
314 HB2 LYS 48 HB2 LYS 48 -7.346 -2.998 21.971
315 HB3 LYS 48 HB1 LYS 48 -9.016 -3.528 22.031
316 HG2 LYS 48 HG2 LYS 48 -8.444 -5.696 22.136
317 HG3 LYS 48 HG1 LYS 48 -7.065 -5.492 21.059
318 HD2 LYS 48 HD2 LYS 48 -6.465 -6.101 23.439
319 HD3 LYS 48 HD1 LYS 48 -5.718 -4.660 22.746
320 HE2 LYS 48 HE2 LYS 48 -8.173 -4.406 24.489
321 HE3 LYS 48 HE1 LYS 48 -6.586 -4.586 25.228
322 HZ1 LYS 48 HZ1 LYS 48 -6.953 -2.198 25.054
323 HZ2 LYS 48 HZ2 LYS 48 -7.593 -2.287 23.594
324 HZ3 LYS 48 HZ3 LYS 48 -5.940 -2.573 23.774
325 H ILE 49 HN ILE 49 -7.276 -1.092 19.846
326 HA ILE 49 HA ILE 49 -9.486 0.295 20.776
327 HB ILE 49 HB ILE 49 -7.235 1.291 19.120
328 HG12 ILE 49 HG12 ILE 49 -6.265 2.125 21.340
329 HG13 ILE 49 HG11 ILE 49 -7.531 1.190 22.120
330 HG21 ILE 49 HG21 ILE 49 -9.155 2.815 19.196
331 HG22 ILE 49 HG22 ILE 49 -7.769 3.522 20.015
332 HG23 ILE 49 HG23 ILE 49 -9.091 2.813 20.960
333 HD11 ILE 49 HD11 ILE 49 -6.572 -0.833 21.472
334 HD12 ILE 49 HD12 ILE 49 -5.279 0.157 22.127
335 HD13 ILE 49 HD13 ILE 49 -5.440 -0.074 20.373
336 H SER 50 HN SER 50 -10.977 1.092 19.903
337 HA SER 50 HA SER 50 -11.401 1.657 17.080
338 HB2 SER 50 HB2 SER 50 -13.407 0.299 18.920
339 HB3 SER 50 HB1 SER 50 -13.639 0.754 17.228
340 HG SER 50 HG SER 50 -11.763 -1.142 18.199
341 H LEU 51 HN LEU 51 -13.659 3.239 17.311
342 HA LEU 51 HA LEU 51 -12.771 4.838 19.228
343 HB2 LEU 51 HB2 LEU 51 -13.367 5.309 16.953
344 HB3 LEU 51 HB1 LEU 51 -15.043 5.047 17.429
345 HG LEU 51 HG LEU 51 -14.783 6.576 19.179
346 HD11 LEU 51 HD11 LEU 51 -12.668 8.119 18.851
347 HD12 LEU 51 HD12 LEU 51 -12.072 6.614 18.026
348 HD13 LEU 51 HD13 LEU 51 -12.575 6.569 19.691
349 HD21 LEU 51 HD21 LEU 51 -15.649 7.012 17.146
350 HD22 LEU 51 HD22 LEU 51 -14.042 7.479 16.517
351 HD23 LEU 51 HD23 LEU 51 -14.861 8.453 17.858
352 H LYS 52 HN LYS 52 -13.785 5.501 21.057
353 HA LYS 52 HA LYS 52 -16.155 4.229 21.904
354 HB2 LYS 52 HB2 LYS 52 -14.438 4.108 23.502
355 HB3 LYS 52 HB1 LYS 52 -13.834 5.615 22.758
356 HG2 LYS 52 HG2 LYS 52 -14.425 6.022 25.000
357 HG3 LYS 52 HG1 LYS 52 -15.344 6.827 23.708
358 HD2 LYS 52 HD2 LYS 52 -17.283 5.429 24.110
359 HD3 LYS 52 HD1 LYS 52 -16.387 4.432 25.262
360 HE2 LYS 52 HE2 LYS 52 -17.922 6.030 26.370
361 HE3 LYS 52 HE1 LYS 52 -16.236 6.279 26.812
362 HZ1 LYS 52 HZ1 LYS 52 -17.408 8.377 26.341
363 HZ2 LYS 52 HZ2 LYS 52 -17.673 7.874 24.743
364 HZ3 LYS 52 HZ3 LYS 52 -16.105 8.120 25.319
365 H HIS 53 HN HIS 53 -14.685 7.135 21.100
366 HA HIS 53 HA HIS 53 -17.258 8.462 20.713
367 HB2 HIS 53 HB2 HIS 53 -17.040 8.499 23.180
368 HB3 HIS 53 HB1 HIS 53 -15.566 9.432 23.040
369 HD1 HIS 53 HD1 HIS 53 -15.916 11.923 23.318
370 HD2 HIS 53 HD2 HIS 53 -19.341 9.942 22.024
371 HE1 HIS 53 HE1 HIS 53 -17.744 13.629 23.284
372 HA PRO 54 HA PRO 54 -14.442 11.115 18.402
373 HB2 PRO 54 HB2 PRO 54 -16.730 12.690 17.568
374 HB3 PRO 54 HB1 PRO 54 -15.787 11.561 16.577
375 HG2 PRO 54 HG2 PRO 54 -18.383 11.139 17.276
376 HG3 PRO 54 HG1 PRO 54 -17.230 9.853 16.875
377 HD2 PRO 54 HD2 PRO 54 -18.170 10.752 19.554
378 HD3 PRO 54 HD1 PRO 54 -17.789 9.122 18.952
379 H GLY 55 HN GLY 55 -13.446 12.384 19.786
380 HA2 GLY 55 HA2 GLY 55 -13.265 14.613 20.763
381 HA3 GLY 55 HA1 GLY 55 -14.985 14.504 21.134
382 H LYS 56 HN LYS 56 -13.222 15.183 23.102
383 HA LYS 56 HA LYS 56 -12.078 13.384 24.647
384 HB2 LYS 56 HB2 LYS 56 -13.478 15.885 25.223
385 HB3 LYS 56 HB1 LYS 56 -12.895 14.830 26.529
386 HG2 LYS 56 HG2 LYS 56 -11.218 15.410 24.296
387 HG3 LYS 56 HG1 LYS 56 -11.390 16.738 25.476
388 HD2 LYS 56 HD2 LYS 56 -10.495 13.893 26.166
389 HD3 LYS 56 HD1 LYS 56 -9.350 15.183 25.827
390 HE2 LYS 56 HE2 LYS 56 -9.466 15.010 28.200
391 HE3 LYS 56 HE1 LYS 56 -10.391 16.439 27.787
392 HZ1 LYS 56 HZ1 LYS 56 -11.507 15.109 29.511
393 HZ2 LYS 56 HZ2 LYS 56 -11.521 13.765 28.580
394 HZ3 LYS 56 HZ3 LYS 56 -12.480 15.036 28.165
395 H CYS 57 HN CYS 57 -12.317 12.472 26.208
396 HA CYS 57 HA CYS 57 -14.911 11.957 27.451
397 HB2 CYS 57 HB2 CYS 57 -12.502 10.109 27.224
398 HB3 CYS 57 HB1 CYS 57 -13.839 9.812 28.330
Start of MODEL 11
1 H GLN 1 HT1 GLN 1 1.286 -0.014 5.691
2 HA GLN 1 HA GLN 1 3.611 -0.521 5.034
3 HB2 GLN 1 HB2 GLN 1 1.650 0.077 2.816
4 HB3 GLN 1 HB1 GLN 1 3.169 -0.758 2.547
5 HG2 GLN 1 HG2 GLN 1 0.995 -1.715 4.394
6 HG3 GLN 1 HG1 GLN 1 1.211 -2.257 2.732
7 HE21 GLN 1 HE21 GLN 1 1.547 -4.378 3.381
8 HE22 GLN 1 HE22 GLN 1 3.021 -4.884 4.135
9 H GLY 2 HN GLY 2 5.485 0.075 3.925
10 HA2 GLY 2 HA2 GLY 2 6.988 1.407 2.818
11 HA3 GLY 2 HA1 GLY 2 5.639 2.378 2.257
12 H GLY 3 HN GLY 3 7.054 4.205 2.570
13 HA2 GLY 3 HA2 GLY 3 7.821 4.953 5.255
14 HA3 GLY 3 HA1 GLY 3 8.032 5.915 3.791
15 H GLN 4 HN GLN 4 5.580 4.644 5.884
16 HA GLN 4 HA GLN 4 3.608 6.562 5.101
17 HB2 GLN 4 HB2 GLN 4 2.202 5.282 6.626
18 HB3 GLN 4 HB1 GLN 4 3.096 4.283 5.467
19 HG2 GLN 4 HG2 GLN 4 4.574 3.478 7.076
20 HG3 GLN 4 HG1 GLN 4 4.117 4.721 8.241
21 HE21 GLN 4 HE21 GLN 4 2.288 4.508 9.361
22 HE22 GLN 4 HE22 GLN 4 1.374 3.037 9.461
23 H VAL 5 HN VAL 5 2.281 7.370 6.960
24 HA VAL 5 HA VAL 5 3.787 9.099 8.657
25 HB VAL 5 HB VAL 5 0.806 8.552 8.408
26 HG11 VAL 5 HG11 VAL 5 0.450 10.530 9.709
27 HG12 VAL 5 HG12 VAL 5 2.214 10.729 9.873
28 HG13 VAL 5 HG13 VAL 5 1.413 9.285 10.533
29 HG21 VAL 5 HG21 VAL 5 2.492 10.824 7.371
30 HG22 VAL 5 HG22 VAL 5 0.740 10.687 7.225
31 HG23 VAL 5 HG23 VAL 5 1.787 9.530 6.402
32 H ASP 6 HN ASP 6 3.397 9.124 11.126
33 HA ASP 6 HA ASP 6 4.129 6.558 11.914
34 HB2 ASP 6 HB2 ASP 6 5.471 8.232 12.814
35 HB3 ASP 6 HB1 ASP 6 4.095 8.964 13.660
36 H CYS 7 HN CYS 7 2.159 5.739 11.459
37 HA CYS 7 HA CYS 7 1.626 4.583 14.183
38 HB2 CYS 7 HB2 CYS 7 0.187 4.054 11.599
39 HB3 CYS 7 HB1 CYS 7 -0.076 3.178 13.109
40 H GLY 8 HN GLY 8 4.024 4.578 13.343
41 HA2 GLY 8 HA2 GLY 8 4.806 2.631 11.488
42 HA3 GLY 8 HA1 GLY 8 5.824 3.406 12.686
43 H GLU 9 HN GLU 9 3.817 2.247 14.800
44 HA GLU 9 HA GLU 9 5.244 -0.126 15.166
45 HB2 GLU 9 HB2 GLU 9 2.959 1.182 16.395
46 HB3 GLU 9 HB1 GLU 9 3.506 -0.393 17.045
47 HG2 GLU 9 HG2 GLU 9 5.796 0.930 17.164
48 HG3 GLU 9 HG1 GLU 9 4.730 2.340 17.153
49 H PHE 10 HN PHE 10 2.252 0.695 13.579
50 HA PHE 10 HA PHE 10 1.240 -0.411 11.881
51 HB2 PHE 10 HB2 PHE 10 3.661 -0.765 11.598
52 HB3 PHE 10 HB1 PHE 10 3.368 -2.369 12.274
53 HD1 PHE 10 HD1 PHE 10 2.736 -0.180 9.368
54 HD2 PHE 10 HD2 PHE 10 2.505 -4.146 10.885
55 HE1 PHE 10 HE1 PHE 10 2.328 -1.023 7.099
56 HE2 PHE 10 HE2 PHE 10 2.086 -4.994 8.620
57 HZ PHE 10 HZ PHE 10 2.005 -3.431 6.722
58 H GLN 11 HN GLN 11 -0.038 -0.847 14.031
59 HA GLN 11 HA GLN 11 -0.674 -3.374 14.811
60 HB2 GLN 11 HB2 GLN 11 -2.957 -2.590 15.186
61 HB3 GLN 11 HB1 GLN 11 -1.619 -1.476 15.662
62 HG2 GLN 11 HG2 GLN 11 -2.123 0.016 13.915
63 HG3 GLN 11 HG1 GLN 11 -3.220 -1.137 13.165
64 HE21 GLN 11 HE21 GLN 11 -4.562 -1.923 15.576
65 HE22 GLN 11 HE22 GLN 11 -5.534 -0.564 16.032
66 H ASP 12 HN ASP 12 -1.923 -1.811 12.164
67 HA ASP 12 HA ASP 12 -2.424 -4.270 10.747
68 HB2 ASP 12 HB2 ASP 12 -4.463 -3.244 11.740
69 HB3 ASP 12 HB1 ASP 12 -4.063 -1.778 10.879
70 H THR 13 HN THR 13 -2.636 -3.577 8.607
71 HA THR 13 HA THR 13 -0.041 -2.649 7.797
72 HB THR 13 HB THR 13 -1.151 -4.652 6.947
73 HG1 THR 13 HG1 THR 13 0.525 -4.155 5.701
74 HG21 THR 13 HG21 THR 13 -2.750 -2.747 5.239
75 HG22 THR 13 HG22 THR 13 -3.380 -3.844 6.467
76 HG23 THR 13 HG23 THR 13 -2.668 -4.492 4.987
77 H LYS 14 HN LYS 14 -3.295 -1.302 7.294
78 HA LYS 14 HA LYS 14 -2.259 0.674 5.475
79 HB2 LYS 14 HB2 LYS 14 -4.530 0.915 4.818
80 HB3 LYS 14 HB1 LYS 14 -4.218 -0.788 5.236
81 HG2 LYS 14 HG2 LYS 14 -5.127 0.766 7.423
82 HG3 LYS 14 HG1 LYS 14 -6.411 0.583 6.182
83 HD2 LYS 14 HD2 LYS 14 -4.868 -1.507 7.779
84 HD3 LYS 14 HD1 LYS 14 -6.530 -1.024 8.020
85 HE2 LYS 14 HE2 LYS 14 -7.148 -1.960 5.854
86 HE3 LYS 14 HE1 LYS 14 -5.469 -2.419 5.559
87 HZ1 LYS 14 HZ1 LYS 14 -5.520 -3.850 7.454
88 HZ2 LYS 14 HZ2 LYS 14 -6.856 -4.323 6.519
89 HZ3 LYS 14 HZ3 LYS 14 -7.003 -3.355 7.909
90 H VAL 15 HN VAL 15 -2.100 0.546 8.666
91 HA VAL 15 HA VAL 15 -3.602 2.930 9.283
92 HB VAL 15 HB VAL 15 -2.076 1.115 11.154
93 HG11 VAL 15 HG11 VAL 15 -2.422 3.361 12.048
94 HG12 VAL 15 HG12 VAL 15 -3.420 2.185 12.903
95 HG13 VAL 15 HG13 VAL 15 -4.145 3.245 11.695
96 HG21 VAL 15 HG21 VAL 15 -3.872 -0.020 9.980
97 HG22 VAL 15 HG22 VAL 15 -5.030 1.190 10.561
98 HG23 VAL 15 HG23 VAL 15 -4.195 0.128 11.707
99 H TYR 16 HN TYR 16 -2.689 4.710 8.997
100 HA TYR 16 HA TYR 16 -0.025 5.320 10.045
101 HB2 TYR 16 HB2 TYR 16 0.381 6.739 8.100
102 HB3 TYR 16 HB1 TYR 16 -0.062 5.132 7.561
103 HD1 TYR 16 HD1 TYR 16 -2.235 4.688 6.497
104 HD2 TYR 16 HD2 TYR 16 -1.055 8.647 7.525
105 HE1 TYR 16 HE1 TYR 16 -3.968 5.590 5.007
106 HE2 TYR 16 HE2 TYR 16 -2.787 9.554 6.046
107 HH TYR 16 HH TYR 16 -5.286 7.705 4.795
108 H CYS 17 HN CYS 17 -0.031 7.533 10.979
109 HA CYS 17 HA CYS 17 -2.633 7.978 12.006
110 HB2 CYS 17 HB2 CYS 17 -1.662 9.531 13.585
111 HB3 CYS 17 HB1 CYS 17 -0.721 8.044 13.494
112 H THR 18 HN THR 18 -3.311 10.238 12.446
113 HA THR 18 HA THR 18 -4.213 11.214 9.970
114 HB THR 18 HB THR 18 -5.305 12.823 11.575
115 HG1 THR 18 HG1 THR 18 -3.837 12.483 13.190
116 HG21 THR 18 HG21 THR 18 -6.273 10.920 10.536
117 HG22 THR 18 HG22 THR 18 -6.877 11.125 12.216
118 HG23 THR 18 HG23 THR 18 -5.661 9.874 11.849
119 H ARG 19 HN ARG 19 -4.013 13.105 9.206
120 HA ARG 19 HA ARG 19 -2.122 15.006 10.414
121 HB2 ARG 19 HB2 ARG 19 -2.133 16.071 8.064
122 HB3 ARG 19 HB1 ARG 19 -1.296 14.530 8.219
123 HG2 ARG 19 HG2 ARG 19 -3.075 13.360 7.218
124 HG3 ARG 19 HG1 ARG 19 -4.143 14.752 7.332
125 HD2 ARG 19 HD2 ARG 19 -1.674 14.565 5.621
126 HD3 ARG 19 HD1 ARG 19 -3.332 14.363 5.054
127 HE ARG 19 HE ARG 19 -1.961 16.793 5.688
128 HH11 ARG 19 HH11 ARG 19 -5.250 15.381 5.566
129 HH12 ARG 19 HH12 ARG 19 -6.001 16.752 4.983
130 HH21 ARG 19 HH21 ARG 19 -3.045 18.787 4.910
131 HH22 ARG 19 HH22 ARG 19 -4.721 18.768 4.610
132 H GLU 20 HN GLU 20 -5.268 14.195 9.843
133 HA GLU 20 HA GLU 20 -6.441 16.831 9.957
134 HB2 GLU 20 HB2 GLU 20 -7.569 14.040 10.035
135 HB3 GLU 20 HB1 GLU 20 -8.541 15.500 9.914
136 HG2 GLU 20 HG2 GLU 20 -8.502 14.435 7.778
137 HG3 GLU 20 HG1 GLU 20 -7.481 15.860 7.656
138 H SER 21 HN SER 21 -8.287 16.860 11.717
139 HA SER 21 HA SER 21 -7.165 15.799 14.167
140 HB2 SER 21 HB2 SER 21 -9.469 17.710 13.884
141 HB3 SER 21 HB1 SER 21 -8.547 17.212 15.325
142 HG SER 21 HG SER 21 -6.819 18.075 13.521
143 H ASN 22 HN ASN 22 -7.837 14.073 14.726
144 HA ASN 22 HA ASN 22 -10.515 13.046 14.011
145 HB2 ASN 22 HB2 ASN 22 -8.730 11.754 12.894
146 HB3 ASN 22 HB1 ASN 22 -7.997 11.402 14.454
147 HD21 ASN 22 HD21 ASN 22 -11.452 11.380 13.747
148 HD22 ASN 22 HD22 ASN 22 -11.675 9.697 14.030
149 HA PRO 23 HA PRO 23 -10.386 13.166 18.517
150 HB2 PRO 23 HB2 PRO 23 -12.784 14.267 18.974
151 HB3 PRO 23 HB1 PRO 23 -11.413 15.237 18.419
152 HG2 PRO 23 HG2 PRO 23 -13.783 14.390 16.899
153 HG3 PRO 23 HG1 PRO 23 -12.727 15.794 16.669
154 HD2 PRO 23 HD2 PRO 23 -12.649 13.335 15.234
155 HD3 PRO 23 HD1 PRO 23 -11.528 14.704 15.104
156 H HIS 24 HN HIS 24 -10.740 11.445 19.630
157 HA HIS 24 HA HIS 24 -13.220 9.827 19.777
158 HB2 HIS 24 HB2 HIS 24 -10.572 8.817 18.763
159 HB3 HIS 24 HB1 HIS 24 -11.859 7.843 19.453
160 HD1 HIS 24 HD1 HIS 24 -14.308 8.619 17.919
161 HD2 HIS 24 HD2 HIS 24 -10.575 8.431 16.135
162 HE1 HIS 24 HE1 HIS 24 -14.727 8.299 15.452
163 H CYS 25 HN CYS 25 -13.557 9.477 21.509
164 HA CYS 25 HA CYS 25 -11.471 9.490 23.558
165 HB2 CYS 25 HB2 CYS 25 -13.708 10.722 23.954
166 HB3 CYS 25 HB1 CYS 25 -14.417 9.094 23.898
167 H GLY 26 HN GLY 26 -10.579 7.626 23.768
168 HA2 GLY 26 HA2 GLY 26 -11.716 5.360 22.467
169 HA3 GLY 26 HA1 GLY 26 -10.213 5.409 23.385
170 H SER 27 HN SER 27 -12.027 3.442 23.498
171 HA SER 27 HA SER 27 -13.620 3.439 25.793
172 HB2 SER 27 HB2 SER 27 -13.338 0.932 25.794
173 HB3 SER 27 HB1 SER 27 -13.783 1.600 24.224
174 HG SER 27 HG SER 27 -11.427 0.432 25.085
175 H ASP 28 HN ASP 28 -10.336 3.810 25.541
176 HA ASP 28 HA ASP 28 -9.274 2.825 28.015
177 HB2 ASP 28 HB2 ASP 28 -7.971 3.170 25.924
178 HB3 ASP 28 HB1 ASP 28 -8.384 4.875 25.993
179 H GLY 29 HN GLY 29 -11.086 5.397 26.917
180 HA2 GLY 29 HA2 GLY 29 -12.177 6.870 28.483
181 HA3 GLY 29 HA1 GLY 29 -10.763 6.624 29.533
182 H GLN 30 HN GLN 30 -8.933 6.776 27.443
183 HA GLN 30 HA GLN 30 -8.712 9.559 27.534
184 HB2 GLN 30 HB2 GLN 30 -6.877 7.577 26.335
185 HB3 GLN 30 HB1 GLN 30 -6.565 9.322 26.328
186 HG2 GLN 30 HG2 GLN 30 -6.936 9.434 28.566
187 HG3 GLN 30 HG1 GLN 30 -7.254 7.659 28.597
188 HE21 GLN 30 HE21 GLN 30 -5.482 6.285 28.279
189 HE22 GLN 30 HE22 GLN 30 -3.822 6.749 28.468
190 H THR 31 HN THR 31 -8.506 10.995 26.136
191 HA THR 31 HA THR 31 -9.897 10.478 23.575
192 HB THR 31 HB THR 31 -9.721 13.111 25.050
193 HG1 THR 31 HG1 THR 31 -11.160 11.204 25.787
194 HG21 THR 31 HG21 THR 31 -9.888 13.397 22.619
195 HG22 THR 31 HG22 THR 31 -11.446 13.826 23.378
196 HG23 THR 31 HG23 THR 31 -11.258 12.293 22.572
197 H TYR 32 HN TYR 32 -8.809 10.657 21.775
198 HA TYR 32 HA TYR 32 -6.410 12.208 21.923
199 HB2 TYR 32 HB2 TYR 32 -5.698 11.011 19.851
200 HB3 TYR 32 HB1 TYR 32 -5.901 10.044 21.314
201 HD1 TYR 32 HD1 TYR 32 -7.528 10.848 18.057
202 HD2 TYR 32 HD2 TYR 32 -7.093 8.067 21.225
203 HE1 TYR 32 HE1 TYR 32 -8.681 9.151 16.718
204 HE2 TYR 32 HE2 TYR 32 -8.259 6.363 19.909
205 HH TYR 32 HH TYR 32 -9.774 6.232 18.098
206 H GLY 33 HN GLY 33 -6.041 13.874 20.790
207 HA2 GLY 33 HA2 GLY 33 -8.195 15.306 19.577
208 HA3 GLY 33 HA1 GLY 33 -6.505 15.807 19.579
209 H ASN 34 HN ASN 34 -5.469 13.402 18.313
210 HA ASN 34 HA ASN 34 -6.985 13.109 15.965
211 HB2 ASN 34 HB2 ASN 34 -5.066 13.507 14.446
212 HB3 ASN 34 HB1 ASN 34 -5.476 14.970 15.312
213 HD21 ASN 34 HD21 ASN 34 -3.479 15.864 14.936
214 HD22 ASN 34 HD22 ASN 34 -2.045 15.311 15.722
215 H LYS 35 HN LYS 35 -5.769 11.280 14.710
216 HA LYS 35 HA LYS 35 -5.773 9.166 16.731
217 HB2 LYS 35 HB2 LYS 35 -6.565 9.312 14.157
218 HB3 LYS 35 HB1 LYS 35 -4.926 8.680 14.002
219 HG2 LYS 35 HG2 LYS 35 -5.484 6.758 15.339
220 HG3 LYS 35 HG1 LYS 35 -7.070 7.435 15.721
221 HD2 LYS 35 HD2 LYS 35 -7.275 7.486 13.081
222 HD3 LYS 35 HD1 LYS 35 -6.098 6.179 13.212
223 HE2 LYS 35 HE2 LYS 35 -8.367 5.295 13.174
224 HE3 LYS 35 HE1 LYS 35 -7.607 4.987 14.738
225 HZ1 LYS 35 HZ1 LYS 35 -9.984 5.880 14.779
226 HZ2 LYS 35 HZ2 LYS 35 -9.318 7.392 14.350
227 HZ3 LYS 35 HZ3 LYS 35 -8.873 6.641 15.768
228 H CYS 36 HN CYS 36 -3.669 10.630 14.841
229 HA CYS 36 HA CYS 36 -1.260 9.232 15.262
230 HB2 CYS 36 HB2 CYS 36 -1.730 11.466 13.962
231 HB3 CYS 36 HB1 CYS 36 -1.225 12.148 15.505
232 H ALA 37 HN ALA 37 -2.801 11.360 17.234
233 HA ALA 37 HA ALA 37 -1.004 11.951 19.251
234 HB1 ALA 37 HB1 ALA 37 -3.472 12.617 18.926
235 HB2 ALA 37 HB2 ALA 37 -2.786 12.645 20.561
236 HB3 ALA 37 HB3 ALA 37 -3.797 11.289 20.037
237 H PHE 38 HN PHE 38 -3.158 9.119 19.169
238 HA PHE 38 HA PHE 38 -0.962 7.737 20.303
239 HB2 PHE 38 HB2 PHE 38 -1.967 6.674 22.303
240 HB3 PHE 38 HB1 PHE 38 -1.767 8.399 22.443
241 HD1 PHE 38 HD2 PHE 38 -4.215 5.674 22.036
242 HD2 PHE 38 HD1 PHE 38 -3.625 9.787 22.936
243 HE1 PHE 38 HE2 PHE 38 -6.509 5.804 22.901
244 HE2 PHE 38 HE1 PHE 38 -5.915 9.921 23.817
245 HZ PHE 38 HZ PHE 38 -7.359 7.930 23.799
246 H CYS 39 HN CYS 39 -1.852 7.419 17.975
247 HA CYS 39 HA CYS 39 -3.339 5.043 17.428
248 HB2 CYS 39 HB2 CYS 39 -2.694 6.629 15.683
249 HB3 CYS 39 HB1 CYS 39 -0.999 6.296 15.996
250 H LYS 40 HN LYS 40 -0.048 5.501 18.504
251 HA LYS 40 HA LYS 40 0.842 2.963 17.685
252 HB2 LYS 40 HB2 LYS 40 1.987 4.560 19.851
253 HB3 LYS 40 HB1 LYS 40 2.910 3.684 18.591
254 HG2 LYS 40 HG2 LYS 40 3.032 5.693 17.475
255 HG3 LYS 40 HG1 LYS 40 1.234 5.569 17.576
256 HD2 LYS 40 HD2 LYS 40 1.082 6.587 19.604
257 HD3 LYS 40 HD1 LYS 40 2.825 6.640 19.847
258 HE2 LYS 40 HE2 LYS 40 1.318 8.179 17.711
259 HE3 LYS 40 HE1 LYS 40 1.955 8.867 19.197
260 HZ1 LYS 40 HZ1 LYS 40 3.602 7.727 16.948
261 HZ2 LYS 40 HZ2 LYS 40 4.229 8.260 18.375
262 HZ3 LYS 40 HZ3 LYS 40 3.423 9.324 17.354
263 H ALA 41 HN ALA 41 -0.410 4.460 20.147
264 HA ALA 41 HA ALA 41 -0.036 2.549 22.301
265 HB1 ALA 41 HB1 ALA 41 -1.804 3.657 23.352
266 HB2 ALA 41 HB2 ALA 41 -2.001 4.488 21.742
267 HB3 ALA 41 HB3 ALA 41 -0.515 4.776 22.724
268 H ILE 42 HN ILE 42 -2.487 3.060 19.815
269 HA ILE 42 HA ILE 42 -4.421 1.125 20.845
270 HB ILE 42 HB ILE 42 -3.859 2.561 18.246
271 HG12 ILE 42 HG12 ILE 42 -6.215 2.772 20.051
272 HG13 ILE 42 HG11 ILE 42 -4.583 3.439 20.352
273 HG21 ILE 42 HG21 ILE 42 -5.975 1.610 17.408
274 HG22 ILE 42 HG22 ILE 42 -6.056 0.563 18.855
275 HG23 ILE 42 HG23 ILE 42 -4.693 0.441 17.733
276 HD11 ILE 42 HD11 ILE 42 -5.983 4.026 17.800
277 HD12 ILE 42 HD12 ILE 42 -4.593 4.753 18.678
278 HD13 ILE 42 HD13 ILE 42 -6.233 5.015 19.275
279 H VAL 43 HN VAL 43 -1.991 1.380 18.619
280 HA VAL 43 HA VAL 43 -1.707 -1.290 17.800
281 HB VAL 43 HB VAL 43 0.453 0.634 18.321
282 HG11 VAL 43 HG11 VAL 43 1.547 -0.529 16.332
283 HG12 VAL 43 HG12 VAL 43 0.230 -1.701 16.371
284 HG13 VAL 43 HG13 VAL 43 1.326 -1.558 17.742
285 HG21 VAL 43 HG21 VAL 43 0.144 1.441 15.989
286 HG22 VAL 43 HG22 VAL 43 -1.166 1.745 17.154
287 HG23 VAL 43 HG23 VAL 43 -1.362 0.485 15.933
288 H LYS 44 HN LYS 44 -0.632 0.356 20.757
289 HA LYS 44 HA LYS 44 1.094 -1.689 21.594
290 HB2 LYS 44 HB2 LYS 44 -0.231 0.569 22.883
291 HB3 LYS 44 HB1 LYS 44 0.681 -0.533 23.930
292 HG2 LYS 44 HG2 LYS 44 1.843 1.010 21.580
293 HG3 LYS 44 HG1 LYS 44 1.843 1.626 23.221
294 HD2 LYS 44 HD2 LYS 44 4.026 0.687 22.689
295 HD3 LYS 44 HD1 LYS 44 3.250 -0.287 23.927
296 HE2 LYS 44 HE2 LYS 44 4.449 -1.572 22.192
297 HE3 LYS 44 HE1 LYS 44 2.766 -2.034 22.319
298 HZ1 LYS 44 HZ1 LYS 44 4.098 -0.352 20.278
299 HZ2 LYS 44 HZ2 LYS 44 2.478 -0.327 20.384
300 HZ3 LYS 44 HZ3 LYS 44 3.278 -1.785 19.978
301 H SER 45 HN SER 45 -2.155 -0.897 22.262
302 HA SER 45 HA SER 45 -2.650 -3.045 24.047
303 HB2 SER 45 HB2 SER 45 -4.080 -1.047 23.973
304 HB3 SER 45 HB1 SER 45 -4.572 -1.453 22.332
305 HG SER 45 HG SER 45 -5.545 -2.306 24.674
306 H GLY 46 HN GLY 46 -3.006 -2.626 20.505
307 HA2 GLY 46 HA2 GLY 46 -2.573 -4.469 19.289
308 HA3 GLY 46 HA1 GLY 46 -3.713 -5.380 20.397
309 H GLY 47 HN GLY 47 -4.467 -2.257 19.571
310 HA2 GLY 47 HA2 GLY 47 -6.033 -1.362 18.137
311 HA3 GLY 47 HA1 GLY 47 -6.190 -2.940 17.349
312 H LYS 48 HN LYS 48 -6.236 -3.584 20.500
313 HA LYS 48 HA LYS 48 -8.916 -4.243 20.616
314 HB2 LYS 48 HB2 LYS 48 -6.908 -3.876 22.753
315 HB3 LYS 48 HB1 LYS 48 -8.453 -4.691 22.989
316 HG2 LYS 48 HG2 LYS 48 -7.825 -6.541 21.781
317 HG3 LYS 48 HG1 LYS 48 -6.666 -5.632 20.799
318 HD2 LYS 48 HD2 LYS 48 -5.286 -5.345 22.715
319 HD3 LYS 48 HD1 LYS 48 -6.357 -6.363 23.700
320 HE2 LYS 48 HE2 LYS 48 -5.846 -8.276 22.321
321 HE3 LYS 48 HE1 LYS 48 -4.979 -7.266 21.161
322 HZ1 LYS 48 HZ1 LYS 48 -3.402 -6.721 22.874
323 HZ2 LYS 48 HZ2 LYS 48 -3.398 -8.385 22.581
324 HZ3 LYS 48 HZ3 LYS 48 -4.148 -7.758 23.979
325 H ILE 49 HN ILE 49 -7.365 -1.234 21.425
326 HA ILE 49 HA ILE 49 -9.464 -0.387 23.159
327 HB ILE 49 HB ILE 49 -7.733 1.354 21.472
328 HG12 ILE 49 HG12 ILE 49 -7.154 0.429 24.281
329 HG13 ILE 49 HG11 ILE 49 -6.482 -0.351 22.856
330 HG21 ILE 49 HG21 ILE 49 -9.706 2.411 22.635
331 HG22 ILE 49 HG22 ILE 49 -8.173 3.049 23.231
332 HG23 ILE 49 HG23 ILE 49 -9.056 1.849 24.172
333 HD11 ILE 49 HD11 ILE 49 -5.994 2.459 23.794
334 HD12 ILE 49 HD12 ILE 49 -5.545 1.782 22.225
335 HD13 ILE 49 HD13 ILE 49 -4.838 1.096 23.688
336 H SER 50 HN SER 50 -11.240 0.415 22.668
337 HA SER 50 HA SER 50 -12.083 0.632 19.848
338 HB2 SER 50 HB2 SER 50 -13.741 -0.033 22.286
339 HB3 SER 50 HB1 SER 50 -14.268 -0.052 20.601
340 HG SER 50 HG SER 50 -12.052 -1.618 21.225
341 H LEU 51 HN LEU 51 -14.247 2.280 19.853
342 HA LEU 51 HA LEU 51 -13.299 4.412 21.128
343 HB2 LEU 51 HB2 LEU 51 -13.917 4.248 18.852
344 HB3 LEU 51 HB1 LEU 51 -15.562 3.879 19.367
345 HG LEU 51 HG LEU 51 -15.536 5.879 20.689
346 HD11 LEU 51 HD11 LEU 51 -13.725 7.542 19.950
347 HD12 LEU 51 HD12 LEU 51 -12.941 5.990 19.365
348 HD13 LEU 51 HD13 LEU 51 -13.353 6.184 21.036
349 HD21 LEU 51 HD21 LEU 51 -15.001 6.275 17.828
350 HD22 LEU 51 HD22 LEU 51 -16.053 7.202 19.020
351 HD23 LEU 51 HD23 LEU 51 -16.404 5.478 18.581
352 H LYS 52 HN LYS 52 -14.438 5.551 22.800
353 HA LYS 52 HA LYS 52 -16.778 4.427 23.775
354 HB2 LYS 52 HB2 LYS 52 -14.933 4.743 25.250
355 HB3 LYS 52 HB1 LYS 52 -14.714 6.335 24.477
356 HG2 LYS 52 HG2 LYS 52 -16.366 7.127 25.236
357 HG3 LYS 52 HG1 LYS 52 -17.190 5.665 25.873
358 HD2 LYS 52 HD2 LYS 52 -15.133 5.486 27.465
359 HD3 LYS 52 HD1 LYS 52 -14.748 7.142 26.995
360 HE2 LYS 52 HE2 LYS 52 -17.290 6.244 28.358
361 HE3 LYS 52 HE1 LYS 52 -15.933 7.038 29.150
362 HZ1 LYS 52 HZ1 LYS 52 -17.677 8.232 27.038
363 HZ2 LYS 52 HZ2 LYS 52 -16.305 8.940 27.657
364 HZ3 LYS 52 HZ3 LYS 52 -17.624 8.663 28.671
365 H HIS 53 HN HIS 53 -15.392 7.180 22.395
366 HA HIS 53 HA HIS 53 -18.100 8.345 21.897
367 HB2 HIS 53 HB2 HIS 53 -15.879 9.973 23.175
368 HB3 HIS 53 HB1 HIS 53 -17.204 10.671 22.318
369 HD1 HIS 53 HD1 HIS 53 -17.594 11.944 24.573
370 HD2 HIS 53 HD2 HIS 53 -18.341 7.865 24.674
371 HE1 HIS 53 HE1 HIS 53 -18.932 11.537 26.676
372 HA PRO 54 HA PRO 54 -16.060 9.729 18.102
373 HB2 PRO 54 HB2 PRO 54 -18.654 10.922 17.444
374 HB3 PRO 54 HB1 PRO 54 -17.848 9.577 16.612
375 HG2 PRO 54 HG2 PRO 54 -20.128 9.252 18.015
376 HG3 PRO 54 HG1 PRO 54 -18.905 7.980 17.822
377 HD2 PRO 54 HD2 PRO 54 -19.402 9.756 20.171
378 HD3 PRO 54 HD1 PRO 54 -18.974 8.029 20.108
379 H GLY 55 HN GLY 55 -14.863 11.500 18.643
380 HA2 GLY 55 HA2 GLY 55 -14.691 13.854 19.047
381 HA3 GLY 55 HA1 GLY 55 -16.248 13.789 19.862
382 H LYS 56 HN LYS 56 -14.684 14.878 21.519
383 HA LYS 56 HA LYS 56 -13.079 13.115 22.979
384 HB2 LYS 56 HB2 LYS 56 -12.687 14.993 24.370
385 HB3 LYS 56 HB1 LYS 56 -12.901 15.614 22.720
386 HG2 LYS 56 HG2 LYS 56 -15.025 16.412 23.169
387 HG3 LYS 56 HG1 LYS 56 -15.157 15.527 24.687
388 HD2 LYS 56 HD2 LYS 56 -13.125 16.925 25.447
389 HD3 LYS 56 HD1 LYS 56 -13.514 17.974 24.082
390 HE2 LYS 56 HE2 LYS 56 -14.543 18.843 26.101
391 HE3 LYS 56 HE1 LYS 56 -15.789 18.273 24.994
392 HZ1 LYS 56 HZ1 LYS 56 -14.790 16.631 27.303
393 HZ2 LYS 56 HZ2 LYS 56 -16.040 16.240 26.358
394 HZ3 LYS 56 HZ3 LYS 56 -16.174 17.563 27.368
395 H CYS 57 HN CYS 57 -13.421 12.912 25.267
396 HA CYS 57 HA CYS 57 -16.170 12.380 25.967
397 HB2 CYS 57 HB2 CYS 57 -13.550 11.928 27.370
398 HB3 CYS 57 HB1 CYS 57 -15.051 11.911 28.295
Start of MODEL 12
1 H GLN 1 HT1 GLN 1 1.617 11.784 24.469
2 HA GLN 1 HA GLN 1 1.866 13.576 22.890
3 HB2 GLN 1 HB2 GLN 1 3.965 11.444 22.367
4 HB3 GLN 1 HB1 GLN 1 4.179 13.184 22.242
5 HG2 GLN 1 HG2 GLN 1 3.761 11.571 24.746
6 HG3 GLN 1 HG1 GLN 1 5.216 12.440 24.260
7 HE21 GLN 1 HE21 GLN 1 5.267 14.695 24.486
8 HE22 GLN 1 HE22 GLN 1 4.078 15.518 25.427
9 H GLY 2 HN GLY 2 2.552 14.095 20.595
10 HA2 GLY 2 HA2 GLY 2 0.635 12.930 18.840
11 HA3 GLY 2 HA1 GLY 2 1.779 14.199 18.452
12 H GLY 3 HN GLY 3 2.262 13.317 16.434
13 HA2 GLY 3 HA2 GLY 3 3.956 12.152 15.256
14 HA3 GLY 3 HA1 GLY 3 3.945 10.918 16.518
15 H GLN 4 HN GLN 4 2.205 12.240 13.798
16 HA GLN 4 HA GLN 4 0.114 10.395 13.807
17 HB2 GLN 4 HB2 GLN 4 -0.472 11.407 11.616
18 HB3 GLN 4 HB1 GLN 4 -0.121 12.586 12.870
19 HG2 GLN 4 HG2 GLN 4 2.000 11.855 10.891
20 HG3 GLN 4 HG1 GLN 4 0.723 12.970 10.436
21 HE21 GLN 4 HE21 GLN 4 2.191 14.637 10.160
22 HE22 GLN 4 HE22 GLN 4 2.966 15.435 11.485
23 H VAL 5 HN VAL 5 0.542 8.317 13.654
24 HA VAL 5 HA VAL 5 2.325 7.343 11.547
25 HB VAL 5 HB VAL 5 1.227 6.009 14.004
26 HG11 VAL 5 HG11 VAL 5 2.764 4.143 13.482
27 HG12 VAL 5 HG12 VAL 5 3.178 4.935 11.956
28 HG13 VAL 5 HG13 VAL 5 1.527 4.378 12.240
29 HG21 VAL 5 HG21 VAL 5 3.522 6.141 14.841
30 HG22 VAL 5 HG22 VAL 5 2.788 7.715 14.451
31 HG23 VAL 5 HG23 VAL 5 3.988 7.016 13.361
32 H ASP 6 HN ASP 6 1.505 6.227 9.915
33 HA ASP 6 HA ASP 6 -1.300 5.443 9.946
34 HB2 ASP 6 HB2 ASP 6 0.128 6.531 7.935
35 HB3 ASP 6 HB1 ASP 6 0.557 4.844 7.667
36 H CYS 7 HN CYS 7 -1.664 3.480 10.755
37 HA CYS 7 HA CYS 7 0.591 1.902 11.583
38 HB2 CYS 7 HB2 CYS 7 -2.279 1.310 12.065
39 HB3 CYS 7 HB1 CYS 7 -0.826 0.733 12.921
40 H GLY 8 HN GLY 8 1.202 1.341 9.480
41 HA2 GLY 8 HA2 GLY 8 -0.122 -1.142 8.883
42 HA3 GLY 8 HA1 GLY 8 0.878 -0.193 7.724
43 H GLU 9 HN GLU 9 1.926 -0.424 11.148
44 HA GLU 9 HA GLU 9 4.075 -1.819 10.215
45 HB2 GLU 9 HB2 GLU 9 3.757 -1.004 12.686
46 HB3 GLU 9 HB1 GLU 9 5.159 -0.370 11.702
47 HG2 GLU 9 HG2 GLU 9 4.101 1.539 12.554
48 HG3 GLU 9 HG1 GLU 9 2.813 1.196 11.400
49 H PHE 10 HN PHE 10 1.593 -1.724 12.767
50 HA PHE 10 HA PHE 10 2.368 -4.516 13.261
51 HB2 PHE 10 HB2 PHE 10 2.612 -2.429 15.262
52 HB3 PHE 10 HB1 PHE 10 2.541 -4.121 15.773
53 HD1 PHE 10 HD2 PHE 10 4.355 -5.658 14.583
54 HD2 PHE 10 HD1 PHE 10 4.669 -1.427 14.931
55 HE1 PHE 10 HE2 PHE 10 6.783 -5.814 14.230
56 HE2 PHE 10 HE1 PHE 10 7.100 -1.577 14.578
57 HZ PHE 10 HZ PHE 10 8.159 -3.773 14.228
58 H GLN 11 HN GLN 11 -0.264 -2.511 13.764
59 HA GLN 11 HA GLN 11 -1.666 -4.220 15.220
60 HB2 GLN 11 HB2 GLN 11 -2.376 -2.565 12.941
61 HB3 GLN 11 HB1 GLN 11 -3.667 -3.586 13.599
62 HG2 GLN 11 HG2 GLN 11 -1.999 -1.669 15.031
63 HG3 GLN 11 HG1 GLN 11 -3.581 -1.229 14.365
64 HE21 GLN 11 HE21 GLN 11 -4.573 -0.800 16.257
65 HE22 GLN 11 HE22 GLN 11 -4.875 -1.983 17.492
66 H ASP 12 HN ASP 12 -1.114 -3.985 12.011
67 HA ASP 12 HA ASP 12 -0.945 -6.538 10.861
68 HB2 ASP 12 HB2 ASP 12 -3.456 -5.907 11.378
69 HB3 ASP 12 HB1 ASP 12 -3.000 -4.660 10.221
70 H THR 13 HN THR 13 -1.313 -5.593 8.512
71 HA THR 13 HA THR 13 0.371 -3.194 8.398
72 HB THR 13 HB THR 13 1.067 -5.290 7.217
73 HG1 THR 13 HG1 THR 13 1.692 -3.051 6.599
74 HG21 THR 13 HG21 THR 13 -1.167 -4.582 5.307
75 HG22 THR 13 HG22 THR 13 -1.064 -6.026 6.314
76 HG23 THR 13 HG23 THR 13 0.080 -5.790 4.993
77 H LYS 14 HN LYS 14 -2.769 -4.422 7.674
78 HA LYS 14 HA LYS 14 -3.488 -2.146 6.059
79 HB2 LYS 14 HB2 LYS 14 -5.371 -3.470 5.400
80 HB3 LYS 14 HB1 LYS 14 -3.875 -4.420 5.601
81 HG2 LYS 14 HG2 LYS 14 -4.570 -5.417 7.587
82 HG3 LYS 14 HG1 LYS 14 -6.008 -4.399 7.683
83 HD2 LYS 14 HD2 LYS 14 -6.989 -5.463 5.796
84 HD3 LYS 14 HD1 LYS 14 -5.485 -6.293 5.401
85 HE2 LYS 14 HE2 LYS 14 -7.068 -6.754 7.931
86 HE3 LYS 14 HE1 LYS 14 -7.215 -7.741 6.480
87 HZ1 LYS 14 HZ1 LYS 14 -5.683 -8.796 8.041
88 HZ2 LYS 14 HZ2 LYS 14 -4.770 -7.446 8.191
89 HZ3 LYS 14 HZ3 LYS 14 -4.769 -8.253 6.737
90 H VAL 15 HN VAL 15 -3.330 -2.155 9.294
91 HA VAL 15 HA VAL 15 -6.052 -1.098 9.632
92 HB VAL 15 HB VAL 15 -4.017 -1.322 11.787
93 HG11 VAL 15 HG11 VAL 15 -7.041 -1.333 11.893
94 HG12 VAL 15 HG12 VAL 15 -5.971 -0.015 12.372
95 HG13 VAL 15 HG13 VAL 15 -5.984 -1.518 13.295
96 HG21 VAL 15 HG21 VAL 15 -3.943 -3.439 11.189
97 HG22 VAL 15 HG22 VAL 15 -5.605 -3.506 10.582
98 HG23 VAL 15 HG23 VAL 15 -5.292 -3.558 12.331
99 H TYR 16 HN TYR 16 -5.481 0.673 8.301
100 HA TYR 16 HA TYR 16 -3.423 2.488 9.049
101 HB2 TYR 16 HB2 TYR 16 -4.271 3.787 7.113
102 HB3 TYR 16 HB1 TYR 16 -3.861 2.126 6.718
103 HD1 TYR 16 HD2 TYR 16 -6.606 4.543 7.102
104 HD2 TYR 16 HD1 TYR 16 -5.580 0.558 6.022
105 HE1 TYR 16 HE2 TYR 16 -8.828 4.247 6.096
106 HE2 TYR 16 HE1 TYR 16 -7.799 0.254 5.010
107 HH TYR 16 HH TYR 16 -9.905 2.838 4.405
108 H CYS 17 HN CYS 17 -3.928 4.757 8.959
109 HA CYS 17 HA CYS 17 -6.005 5.455 10.940
110 HB2 CYS 17 HB2 CYS 17 -4.467 7.207 11.646
111 HB3 CYS 17 HB1 CYS 17 -3.624 5.652 11.489
112 H THR 18 HN THR 18 -6.148 7.947 10.744
113 HA THR 18 HA THR 18 -6.595 8.724 8.038
114 HB THR 18 HB THR 18 -8.863 8.212 8.621
115 HG1 THR 18 HG1 THR 18 -9.025 10.142 7.581
116 HG21 THR 18 HG21 THR 18 -9.973 9.263 10.531
117 HG22 THR 18 HG22 THR 18 -8.370 9.933 10.908
118 HG23 THR 18 HG23 THR 18 -8.650 8.167 11.041
119 H ARG 19 HN ARG 19 -6.722 10.749 7.938
120 HA ARG 19 HA ARG 19 -4.860 12.054 9.861
121 HB2 ARG 19 HB2 ARG 19 -3.412 12.805 8.023
122 HB3 ARG 19 HB1 ARG 19 -3.506 11.052 8.107
123 HG2 ARG 19 HG2 ARG 19 -5.539 11.764 6.397
124 HG3 ARG 19 HG1 ARG 19 -4.219 12.844 5.945
125 HD2 ARG 19 HD2 ARG 19 -3.990 10.849 4.619
126 HD3 ARG 19 HD1 ARG 19 -2.713 10.827 5.832
127 HE ARG 19 HE ARG 19 -5.180 9.421 6.427
128 HH11 ARG 19 HH11 ARG 19 -1.749 9.098 5.406
129 HH12 ARG 19 HH12 ARG 19 -1.743 7.407 5.780
130 HH21 ARG 19 HH21 ARG 19 -4.955 6.998 6.880
131 HH22 ARG 19 HH22 ARG 19 -3.418 6.318 6.569
132 H GLU 20 HN GLU 20 -7.649 12.208 8.393
133 HA GLU 20 HA GLU 20 -7.672 14.953 7.658
134 HB2 GLU 20 HB2 GLU 20 -9.838 12.909 8.023
135 HB3 GLU 20 HB1 GLU 20 -10.124 14.507 7.323
136 HG2 GLU 20 HG2 GLU 20 -10.030 13.122 5.442
137 HG3 GLU 20 HG1 GLU 20 -8.362 13.677 5.544
138 H SER 21 HN SER 21 -10.016 15.815 8.764
139 HA SER 21 HA SER 21 -9.311 16.775 11.343
140 HB2 SER 21 HB2 SER 21 -11.711 16.556 9.855
141 HB3 SER 21 HB1 SER 21 -11.419 17.852 11.056
142 HG SER 21 HG SER 21 -9.823 18.703 9.657
143 H ASN 22 HN ASN 22 -9.807 13.987 11.142
144 HA ASN 22 HA ASN 22 -12.394 13.331 12.451
145 HB2 ASN 22 HB2 ASN 22 -10.231 11.439 11.474
146 HB3 ASN 22 HB1 ASN 22 -11.777 10.971 12.108
147 HD21 ASN 22 HD21 ASN 22 -10.526 10.761 9.282
148 HD22 ASN 22 HD22 ASN 22 -11.784 11.355 8.287
149 HA PRO 23 HA PRO 23 -9.643 13.267 16.137
150 HB2 PRO 23 HB2 PRO 23 -11.865 14.184 17.745
151 HB3 PRO 23 HB1 PRO 23 -10.405 15.085 17.303
152 HG2 PRO 23 HG2 PRO 23 -12.858 15.774 16.380
153 HG3 PRO 23 HG1 PRO 23 -11.352 16.069 15.494
154 HD2 PRO 23 HD2 PRO 23 -13.319 13.844 15.118
155 HD3 PRO 23 HD1 PRO 23 -12.509 14.862 13.902
156 H HIS 24 HN HIS 24 -9.722 12.005 18.111
157 HA HIS 24 HA HIS 24 -11.772 9.860 18.408
158 HB2 HIS 24 HB2 HIS 24 -8.846 9.419 17.733
159 HB3 HIS 24 HB1 HIS 24 -9.985 8.272 18.430
160 HD1 HIS 24 HD1 HIS 24 -10.068 10.379 15.150
161 HD2 HIS 24 HD2 HIS 24 -10.715 6.514 16.547
162 HE1 HIS 24 HE1 HIS 24 -10.705 9.015 13.164
163 H CYS 25 HN CYS 25 -12.164 9.763 20.174
164 HA CYS 25 HA CYS 25 -10.169 10.287 22.241
165 HB2 CYS 25 HB2 CYS 25 -12.409 11.413 22.539
166 HB3 CYS 25 HB1 CYS 25 -13.109 9.769 22.471
167 H GLY 26 HN GLY 26 -9.145 8.498 22.700
168 HA2 GLY 26 HA2 GLY 26 -10.147 5.980 21.803
169 HA3 GLY 26 HA1 GLY 26 -8.670 6.260 22.724
170 H SER 27 HN SER 27 -10.402 4.226 23.190
171 HA SER 27 HA SER 27 -12.105 4.665 25.382
172 HB2 SER 27 HB2 SER 27 -11.896 2.203 25.848
173 HB3 SER 27 HB1 SER 27 -12.245 2.563 24.159
174 HG SER 27 HG SER 27 -9.981 1.521 25.351
175 H ASP 28 HN ASP 28 -8.833 4.927 25.137
176 HA ASP 28 HA ASP 28 -7.806 4.423 27.756
177 HB2 ASP 28 HB2 ASP 28 -6.460 4.458 25.698
178 HB3 ASP 28 HB1 ASP 28 -6.954 6.124 25.432
179 H GLY 29 HN GLY 29 -9.520 6.827 26.187
180 HA2 GLY 29 HA2 GLY 29 -10.641 8.506 27.567
181 HA3 GLY 29 HA1 GLY 29 -9.196 8.411 28.604
182 H GLN 30 HN GLN 30 -7.446 8.220 26.412
183 HA GLN 30 HA GLN 30 -7.042 10.959 26.114
184 HB2 GLN 30 HB2 GLN 30 -5.675 8.671 24.853
185 HB3 GLN 30 HB1 GLN 30 -5.299 10.353 24.445
186 HG2 GLN 30 HG2 GLN 30 -5.004 10.881 26.629
187 HG3 GLN 30 HG1 GLN 30 -5.502 9.191 27.049
188 HE21 GLN 30 HE21 GLN 30 -4.017 7.586 26.884
189 HE22 GLN 30 HE22 GLN 30 -2.346 7.706 26.473
190 H THR 31 HN THR 31 -7.198 12.311 24.644
191 HA THR 31 HA THR 31 -8.717 11.604 22.208
192 HB THR 31 HB THR 31 -8.484 14.343 23.473
193 HG1 THR 31 HG1 THR 31 -10.006 12.556 24.332
194 HG21 THR 31 HG21 THR 31 -10.017 13.438 21.009
195 HG22 THR 31 HG22 THR 31 -8.620 14.492 21.005
196 HG23 THR 31 HG23 THR 31 -10.153 15.010 21.779
197 H TYR 32 HN TYR 32 -7.762 11.732 20.399
198 HA TYR 32 HA TYR 32 -5.548 13.556 20.183
199 HB2 TYR 32 HB2 TYR 32 -5.667 10.714 19.246
200 HB3 TYR 32 HB1 TYR 32 -4.618 11.894 18.462
201 HD1 TYR 32 HD2 TYR 32 -5.349 10.422 21.826
202 HD2 TYR 32 HD1 TYR 32 -2.511 12.386 19.344
203 HE1 TYR 32 HE2 TYR 32 -3.616 10.133 23.559
204 HE2 TYR 32 HE1 TYR 32 -0.803 12.108 21.081
205 HH TYR 32 HH TYR 32 -1.541 10.324 24.046
206 H GLY 33 HN GLY 33 -5.190 14.353 18.241
207 HA2 GLY 33 HA2 GLY 33 -7.302 15.691 17.073
208 HA3 GLY 33 HA1 GLY 33 -5.728 15.537 16.323
209 H ASN 34 HN ASN 34 -5.810 12.700 15.832
210 HA ASN 34 HA ASN 34 -8.215 12.153 14.482
211 HB2 ASN 34 HB2 ASN 34 -7.182 11.802 12.239
212 HB3 ASN 34 HB1 ASN 34 -7.284 13.483 12.680
213 HD21 ASN 34 HD21 ASN 34 -5.674 14.128 11.349
214 HD22 ASN 34 HD22 ASN 34 -4.009 13.725 11.553
215 H LYS 35 HN LYS 35 -7.733 10.050 13.094
216 HA LYS 35 HA LYS 35 -7.027 8.069 15.026
217 HB2 LYS 35 HB2 LYS 35 -8.491 7.514 13.112
218 HB3 LYS 35 HB1 LYS 35 -7.090 7.839 12.087
219 HG2 LYS 35 HG2 LYS 35 -7.479 5.464 12.199
220 HG3 LYS 35 HG1 LYS 35 -5.957 5.860 13.001
221 HD2 LYS 35 HD2 LYS 35 -7.155 5.663 15.163
222 HD3 LYS 35 HD1 LYS 35 -8.605 5.175 14.278
223 HE2 LYS 35 HE2 LYS 35 -5.944 3.727 14.355
224 HE3 LYS 35 HE1 LYS 35 -7.459 3.190 15.068
225 HZ1 LYS 35 HZ1 LYS 35 -6.915 3.437 12.120
226 HZ2 LYS 35 HZ2 LYS 35 -8.382 2.963 12.794
227 HZ3 LYS 35 HZ3 LYS 35 -7.006 2.023 13.009
228 H CYS 36 HN CYS 36 -5.208 9.237 12.530
229 HA CYS 36 HA CYS 36 -2.925 7.632 12.607
230 HB2 CYS 36 HB2 CYS 36 -3.380 10.431 12.023
231 HB3 CYS 36 HB1 CYS 36 -1.695 9.841 11.867
232 H ALA 37 HN ALA 37 -3.824 10.207 14.417
233 HA ALA 37 HA ALA 37 -1.448 10.913 15.775
234 HB1 ALA 37 HB1 ALA 37 -4.259 11.223 16.624
235 HB2 ALA 37 HB2 ALA 37 -3.444 12.276 15.499
236 HB3 ALA 37 HB3 ALA 37 -2.938 12.256 17.210
237 H PHE 38 HN PHE 38 -4.128 8.781 16.806
238 HA PHE 38 HA PHE 38 -2.439 7.944 19.127
239 HB2 PHE 38 HB2 PHE 38 -4.527 9.107 19.725
240 HB3 PHE 38 HB1 PHE 38 -5.458 7.896 18.860
241 HD1 PHE 38 HD2 PHE 38 -2.750 7.874 21.450
242 HD2 PHE 38 HD1 PHE 38 -6.599 6.503 20.270
243 HE1 PHE 38 HE2 PHE 38 -2.928 6.589 23.538
244 HE2 PHE 38 HE1 PHE 38 -6.785 5.222 22.347
245 HZ PHE 38 HZ PHE 38 -4.947 5.260 23.991
246 H CYS 39 HN CYS 39 -3.228 6.895 16.231
247 HA CYS 39 HA CYS 39 -4.285 4.248 16.473
248 HB2 CYS 39 HB2 CYS 39 -4.251 5.485 14.353
249 HB3 CYS 39 HB1 CYS 39 -2.497 5.473 14.381
250 H LYS 40 HN LYS 40 -1.024 5.417 16.430
251 HA LYS 40 HA LYS 40 0.125 2.945 16.192
252 HB2 LYS 40 HB2 LYS 40 1.913 4.317 17.215
253 HB3 LYS 40 HB1 LYS 40 1.404 4.599 15.473
254 HG2 LYS 40 HG2 LYS 40 1.880 6.754 16.437
255 HG3 LYS 40 HG1 LYS 40 0.140 6.607 16.582
256 HD2 LYS 40 HD2 LYS 40 0.349 5.970 18.862
257 HD3 LYS 40 HD1 LYS 40 2.118 5.991 18.781
258 HE2 LYS 40 HE2 LYS 40 0.222 8.337 18.505
259 HE3 LYS 40 HE1 LYS 40 1.329 8.031 19.839
260 HZ1 LYS 40 HZ1 LYS 40 3.184 8.285 18.187
261 HZ2 LYS 40 HZ2 LYS 40 2.283 9.668 18.443
262 HZ3 LYS 40 HZ3 LYS 40 2.032 8.791 17.049
263 H ALA 41 HN ALA 41 -0.794 4.688 18.650
264 HA ALA 41 HA ALA 41 0.545 3.169 20.725
265 HB1 ALA 41 HB1 ALA 41 -0.146 5.342 21.175
266 HB2 ALA 41 HB2 ALA 41 -1.061 4.066 22.124
267 HB3 ALA 41 HB3 ALA 41 -1.766 4.789 20.618
268 H ILE 42 HN ILE 42 -2.582 3.095 19.047
269 HA ILE 42 HA ILE 42 -3.872 1.295 20.870
270 HB ILE 42 HB ILE 42 -4.192 2.083 17.985
271 HG12 ILE 42 HG12 ILE 42 -5.984 2.581 20.311
272 HG13 ILE 42 HG11 ILE 42 -4.455 3.431 19.941
273 HG21 ILE 42 HG21 ILE 42 -4.825 -0.139 18.246
274 HG22 ILE 42 HG22 ILE 42 -6.291 0.838 17.967
275 HG23 ILE 42 HG23 ILE 42 -5.915 0.183 19.589
276 HD11 ILE 42 HD11 ILE 42 -6.589 3.201 17.883
277 HD12 ILE 42 HD12 ILE 42 -5.124 4.224 18.079
278 HD13 ILE 42 HD13 ILE 42 -6.542 4.534 19.083
279 H VAL 43 HN VAL 43 -2.127 1.199 18.060
280 HA VAL 43 HA VAL 43 -1.827 -1.540 17.511
281 HB VAL 43 HB VAL 43 0.246 0.527 17.287
282 HG11 VAL 43 HG11 VAL 43 1.083 -1.653 16.750
283 HG12 VAL 43 HG12 VAL 43 0.817 -0.876 15.187
284 HG13 VAL 43 HG13 VAL 43 -0.323 -2.085 15.798
285 HG21 VAL 43 HG21 VAL 43 -2.105 0.085 15.476
286 HG22 VAL 43 HG22 VAL 43 -0.663 1.017 15.047
287 HG23 VAL 43 HG23 VAL 43 -1.639 1.468 16.453
288 H LYS 44 HN LYS 44 -0.195 0.515 19.903
289 HA LYS 44 HA LYS 44 1.781 -1.510 20.272
290 HB2 LYS 44 HB2 LYS 44 1.123 0.992 21.573
291 HB3 LYS 44 HB1 LYS 44 2.563 0.081 22.123
292 HG2 LYS 44 HG2 LYS 44 2.039 1.424 19.439
293 HG3 LYS 44 HG1 LYS 44 3.286 1.857 20.600
294 HD2 LYS 44 HD2 LYS 44 4.623 0.034 20.027
295 HD3 LYS 44 HD1 LYS 44 3.296 -0.888 19.336
296 HE2 LYS 44 HE2 LYS 44 4.464 1.637 18.139
297 HE3 LYS 44 HE1 LYS 44 4.836 -0.007 17.618
298 HZ1 LYS 44 HZ1 LYS 44 2.505 -0.308 17.023
299 HZ2 LYS 44 HZ2 LYS 44 3.098 0.955 16.158
300 HZ3 LYS 44 HZ3 LYS 44 2.120 1.245 17.510
301 H SER 45 HN SER 45 -1.010 -0.367 21.807
302 HA SER 45 HA SER 45 -0.816 -2.350 23.903
303 HB2 SER 45 HB2 SER 45 -3.046 -0.450 23.235
304 HB3 SER 45 HB1 SER 45 -2.879 -1.382 24.727
305 HG SER 45 HG SER 45 -0.613 -0.158 24.442
306 H GLY 46 HN GLY 46 -1.207 -3.047 20.863
307 HA2 GLY 46 HA2 GLY 46 -1.847 -4.907 19.970
308 HA3 GLY 46 HA1 GLY 46 -2.643 -5.309 21.540
309 H GLY 47 HN GLY 47 -3.652 -2.495 20.203
310 HA2 GLY 47 HA2 GLY 47 -5.603 -1.911 19.143
311 HA3 GLY 47 HA1 GLY 47 -5.788 -3.593 18.625
312 H LYS 48 HN LYS 48 -5.179 -3.604 21.891
313 HA LYS 48 HA LYS 48 -7.837 -4.115 22.471
314 HB2 LYS 48 HB2 LYS 48 -5.498 -3.711 24.229
315 HB3 LYS 48 HB1 LYS 48 -7.087 -4.060 24.912
316 HG2 LYS 48 HG2 LYS 48 -6.293 -6.253 24.745
317 HG3 LYS 48 HG1 LYS 48 -7.028 -6.008 23.155
318 HD2 LYS 48 HD2 LYS 48 -4.723 -5.286 22.377
319 HD3 LYS 48 HD1 LYS 48 -4.121 -6.011 23.867
320 HE2 LYS 48 HE2 LYS 48 -3.946 -7.659 22.155
321 HE3 LYS 48 HE1 LYS 48 -5.303 -8.125 23.183
322 HZ1 LYS 48 HZ1 LYS 48 -5.475 -6.715 20.580
323 HZ2 LYS 48 HZ2 LYS 48 -6.809 -7.094 21.530
324 HZ3 LYS 48 HZ3 LYS 48 -5.883 -8.335 20.827
325 H ILE 49 HN ILE 49 -6.048 -1.198 22.565
326 HA ILE 49 HA ILE 49 -8.184 0.187 23.921
327 HB ILE 49 HB ILE 49 -6.172 1.352 22.034
328 HG12 ILE 49 HG12 ILE 49 -5.905 1.241 25.016
329 HG13 ILE 49 HG11 ILE 49 -5.209 0.007 23.966
330 HG21 ILE 49 HG21 ILE 49 -8.107 2.842 22.661
331 HG22 ILE 49 HG22 ILE 49 -6.589 3.445 23.327
332 HG23 ILE 49 HG23 ILE 49 -7.715 2.576 24.356
333 HD11 ILE 49 HD11 ILE 49 -4.580 2.944 23.814
334 HD12 ILE 49 HD12 ILE 49 -3.883 1.591 22.881
335 HD13 ILE 49 HD13 ILE 49 -3.587 1.700 24.609
336 H SER 50 HN SER 50 -9.822 1.044 22.992
337 HA SER 50 HA SER 50 -10.220 0.775 20.084
338 HB2 SER 50 HB2 SER 50 -12.266 0.412 22.291
339 HB3 SER 50 HB1 SER 50 -12.545 0.236 20.556
340 HG SER 50 HG SER 50 -10.479 -1.296 21.495
341 H LEU 51 HN LEU 51 -12.310 2.442 19.559
342 HA LEU 51 HA LEU 51 -11.520 4.749 20.617
343 HB2 LEU 51 HB2 LEU 51 -12.031 4.218 18.343
344 HB3 LEU 51 HB1 LEU 51 -13.687 3.888 18.843
345 HG LEU 51 HG LEU 51 -13.809 6.064 19.792
346 HD11 LEU 51 HD11 LEU 51 -11.957 7.644 18.911
347 HD12 LEU 51 HD12 LEU 51 -11.075 6.037 18.780
348 HD13 LEU 51 HD13 LEU 51 -11.755 6.559 20.298
349 HD21 LEU 51 HD21 LEU 51 -13.003 6.042 16.968
350 HD22 LEU 51 HD22 LEU 51 -14.178 7.118 17.887
351 HD23 LEU 51 HD23 LEU 51 -14.467 5.341 17.692
352 H LYS 52 HN LYS 52 -12.808 6.081 22.003
353 HA LYS 52 HA LYS 52 -14.990 4.891 23.247
354 HB2 LYS 52 HB2 LYS 52 -13.441 5.933 24.705
355 HB3 LYS 52 HB1 LYS 52 -13.183 7.144 23.429
356 HG2 LYS 52 HG2 LYS 52 -14.916 8.107 23.739
357 HG3 LYS 52 HG1 LYS 52 -15.750 6.979 24.863
358 HD2 LYS 52 HD2 LYS 52 -13.987 7.476 26.576
359 HD3 LYS 52 HD1 LYS 52 -13.178 8.551 25.444
360 HE2 LYS 52 HE2 LYS 52 -15.310 9.952 25.506
361 HE3 LYS 52 HE1 LYS 52 -15.783 8.974 26.895
362 HZ1 LYS 52 HZ1 LYS 52 -14.642 11.051 27.579
363 HZ2 LYS 52 HZ2 LYS 52 -13.307 10.615 26.686
364 HZ3 LYS 52 HZ3 LYS 52 -13.718 9.703 28.035
365 H HIS 53 HN HIS 53 -14.047 7.511 21.287
366 HA HIS 53 HA HIS 53 -16.246 7.334 19.571
367 HB2 HIS 53 HB2 HIS 53 -17.733 9.219 20.124
368 HB3 HIS 53 HB1 HIS 53 -17.635 8.072 21.451
369 HD1 HIS 53 HD1 HIS 53 -16.506 11.588 20.513
370 HD2 HIS 53 HD2 HIS 53 -16.887 9.105 23.827
371 HE1 HIS 53 HE1 HIS 53 -16.169 13.047 22.521
372 HA PRO 54 HA PRO 54 -13.900 10.270 17.240
373 HB2 PRO 54 HB2 PRO 54 -15.865 11.318 15.643
374 HB3 PRO 54 HB1 PRO 54 -15.150 9.721 15.341
375 HG2 PRO 54 HG2 PRO 54 -17.724 10.393 16.651
376 HG3 PRO 54 HG1 PRO 54 -17.339 9.078 15.521
377 HD2 PRO 54 HD2 PRO 54 -17.553 8.650 18.160
378 HD3 PRO 54 HD1 PRO 54 -16.411 7.755 17.143
379 H GLY 55 HN GLY 55 -13.526 12.430 17.240
380 HA2 GLY 55 HA2 GLY 55 -13.911 14.734 17.828
381 HA3 GLY 55 HA1 GLY 55 -15.375 14.218 18.660
382 H LYS 56 HN LYS 56 -13.310 15.924 19.813
383 HA LYS 56 HA LYS 56 -11.861 14.371 21.572
384 HB2 LYS 56 HB2 LYS 56 -11.467 16.331 22.757
385 HB3 LYS 56 HB1 LYS 56 -11.484 16.721 21.002
386 HG2 LYS 56 HG2 LYS 56 -13.630 17.709 21.165
387 HG3 LYS 56 HG1 LYS 56 -13.813 17.158 22.833
388 HD2 LYS 56 HD2 LYS 56 -11.745 19.166 21.909
389 HD3 LYS 56 HD1 LYS 56 -13.281 19.598 22.655
390 HE2 LYS 56 HE2 LYS 56 -11.084 17.958 23.960
391 HE3 LYS 56 HE1 LYS 56 -11.416 19.653 24.266
392 HZ1 LYS 56 HZ1 LYS 56 -13.678 18.926 25.109
393 HZ2 LYS 56 HZ2 LYS 56 -12.384 18.324 25.999
394 HZ3 LYS 56 HZ3 LYS 56 -13.165 17.323 25.003
395 H CYS 57 HN CYS 57 -12.193 14.151 23.694
396 HA CYS 57 HA CYS 57 -15.026 14.132 24.417
397 HB2 CYS 57 HB2 CYS 57 -14.571 12.091 25.626
398 HB3 CYS 57 HB1 CYS 57 -14.000 12.091 23.940
Start of MODEL 13
1 H GLN 1 HT1 GLN 1 -2.344 4.162 1.573
2 HA GLN 1 HA GLN 1 -3.300 1.439 2.189
3 HB2 GLN 1 HB2 GLN 1 -1.634 2.816 3.746
4 HB3 GLN 1 HB1 GLN 1 -3.037 3.826 4.047
5 HG2 GLN 1 HG2 GLN 1 -4.231 1.961 5.009
6 HG3 GLN 1 HG1 GLN 1 -2.929 0.862 4.562
7 HE21 GLN 1 HE21 GLN 1 -3.993 3.282 6.860
8 HE22 GLN 1 HE22 GLN 1 -2.693 3.007 7.945
9 H GLY 2 HN GLY 2 -5.302 2.951 4.007
10 HA2 GLY 2 HA2 GLY 2 -7.311 3.584 2.149
11 HA3 GLY 2 HA1 GLY 2 -7.262 4.170 3.815
12 H GLY 3 HN GLY 3 -4.824 5.479 3.635
13 HA2 GLY 3 HA2 GLY 3 -4.925 7.356 1.429
14 HA3 GLY 3 HA1 GLY 3 -4.921 7.995 3.084
15 H GLN 4 HN GLN 4 -2.986 8.530 3.750
16 HA GLN 4 HA GLN 4 -0.518 7.402 2.765
17 HB2 GLN 4 HB2 GLN 4 0.516 8.807 4.420
18 HB3 GLN 4 HB1 GLN 4 -0.794 9.718 3.669
19 HG2 GLN 4 HG2 GLN 4 -2.180 9.511 5.557
20 HG3 GLN 4 HG1 GLN 4 -1.170 8.249 6.257
21 HE21 GLN 4 HE21 GLN 4 0.673 8.800 7.353
22 HE22 GLN 4 HE22 GLN 4 1.063 10.412 7.785
23 H VAL 5 HN VAL 5 1.005 6.795 4.653
24 HA VAL 5 HA VAL 5 -0.008 4.405 5.868
25 HB VAL 5 HB VAL 5 2.613 5.854 6.380
26 HG11 VAL 5 HG11 VAL 5 3.371 3.772 7.423
27 HG12 VAL 5 HG12 VAL 5 1.805 3.035 7.105
28 HG13 VAL 5 HG13 VAL 5 1.921 4.362 8.250
29 HG21 VAL 5 HG21 VAL 5 2.428 5.093 4.067
30 HG22 VAL 5 HG22 VAL 5 2.010 3.472 4.621
31 HG23 VAL 5 HG23 VAL 5 3.616 4.125 4.942
32 H ASP 6 HN ASP 6 -1.330 4.552 7.507
33 HA ASP 6 HA ASP 6 -0.517 6.165 9.799
34 HB2 ASP 6 HB2 ASP 6 -2.527 7.238 8.945
35 HB3 ASP 6 HB1 ASP 6 -3.347 5.672 8.853
36 H CYS 7 HN CYS 7 0.089 4.692 11.383
37 HA CYS 7 HA CYS 7 -0.585 2.058 11.477
38 HB2 CYS 7 HB2 CYS 7 -0.508 2.246 13.911
39 HB3 CYS 7 HB1 CYS 7 0.936 2.851 13.057
40 H GLY 8 HN GLY 8 -2.204 3.918 13.842
41 HA2 GLY 8 HA2 GLY 8 -4.331 3.831 14.692
42 HA3 GLY 8 HA1 GLY 8 -4.847 3.541 13.040
43 H GLU 9 HN GLU 9 -4.780 1.486 12.299
44 HA GLU 9 HA GLU 9 -5.920 -0.432 14.176
45 HB2 GLU 9 HB2 GLU 9 -5.832 0.061 11.331
46 HB3 GLU 9 HB1 GLU 9 -6.726 -1.336 11.952
47 HG2 GLU 9 HG2 GLU 9 -8.401 0.376 11.466
48 HG3 GLU 9 HG1 GLU 9 -8.201 0.377 13.209
49 H PHE 10 HN PHE 10 -3.093 0.262 12.788
50 HA PHE 10 HA PHE 10 -2.453 -2.362 11.912
51 HB2 PHE 10 HB2 PHE 10 -1.243 0.219 11.105
52 HB3 PHE 10 HB1 PHE 10 -0.611 -1.431 10.843
53 HD1 PHE 10 HD2 PHE 10 -3.518 0.764 10.036
54 HD2 PHE 10 HD1 PHE 10 -1.359 -2.770 9.068
55 HE1 PHE 10 HE2 PHE 10 -4.913 0.467 8.035
56 HE2 PHE 10 HE1 PHE 10 -2.749 -3.074 7.064
57 HZ PHE 10 HZ PHE 10 -4.530 -1.455 6.545
58 H GLN 11 HN GLN 11 -2.309 -2.614 13.604
59 HA GLN 11 HA GLN 11 -1.038 -2.750 15.945
60 HB2 GLN 11 HB2 GLN 11 -1.222 -4.772 13.943
61 HB3 GLN 11 HB1 GLN 11 -1.044 -5.248 15.687
62 HG2 GLN 11 HG2 GLN 11 -3.143 -3.972 14.037
63 HG3 GLN 11 HG1 GLN 11 -3.304 -5.515 14.886
64 HE21 GLN 11 HE21 GLN 11 -4.989 -3.126 14.924
65 HE22 GLN 11 HE22 GLN 11 -5.086 -2.622 16.579
66 H ASP 12 HN ASP 12 0.503 -3.001 13.051
67 HA ASP 12 HA ASP 12 2.904 -4.098 14.097
68 HB2 ASP 12 HB2 ASP 12 2.366 -4.771 11.957
69 HB3 ASP 12 HB1 ASP 12 2.110 -3.089 11.432
70 H THR 13 HN THR 13 4.208 -3.037 14.645
71 HA THR 13 HA THR 13 3.688 -0.331 15.509
72 HB THR 13 HB THR 13 4.692 -2.172 16.877
73 HG1 THR 13 HG1 THR 13 5.747 0.476 16.942
74 HG21 THR 13 HG21 THR 13 7.258 -1.019 15.752
75 HG22 THR 13 HG22 THR 13 6.678 -2.673 15.564
76 HG23 THR 13 HG23 THR 13 7.180 -2.091 17.151
77 H LYS 14 HN LYS 14 5.608 -1.580 13.028
78 HA LYS 14 HA LYS 14 7.078 0.881 12.769
79 HB2 LYS 14 HB2 LYS 14 8.402 -0.280 11.150
80 HB3 LYS 14 HB1 LYS 14 7.857 -1.376 12.442
81 HG2 LYS 14 HG2 LYS 14 6.260 -2.415 11.084
82 HG3 LYS 14 HG1 LYS 14 6.563 -1.285 9.762
83 HD2 LYS 14 HD2 LYS 14 8.807 -2.118 9.492
84 HD3 LYS 14 HD1 LYS 14 8.635 -3.150 10.912
85 HE2 LYS 14 HE2 LYS 14 7.068 -3.379 8.344
86 HE3 LYS 14 HE1 LYS 14 8.394 -4.430 8.843
87 HZ1 LYS 14 HZ1 LYS 14 6.994 -5.059 10.808
88 HZ2 LYS 14 HZ2 LYS 14 6.229 -5.444 9.336
89 HZ3 LYS 14 HZ3 LYS 14 5.778 -4.096 10.185
90 H VAL 15 HN VAL 15 4.001 0.227 12.203
91 HA VAL 15 HA VAL 15 3.743 1.675 9.693
92 HB VAL 15 HB VAL 15 1.523 0.704 11.520
93 HG11 VAL 15 HG11 VAL 15 0.879 2.296 9.831
94 HG12 VAL 15 HG12 VAL 15 0.169 0.719 9.476
95 HG13 VAL 15 HG13 VAL 15 1.572 1.277 8.571
96 HG21 VAL 15 HG21 VAL 15 3.071 -1.189 10.811
97 HG22 VAL 15 HG22 VAL 15 2.395 -1.003 9.177
98 HG23 VAL 15 HG23 VAL 15 1.366 -1.395 10.576
99 H TYR 16 HN TYR 16 3.528 3.841 9.991
100 HA TYR 16 HA TYR 16 2.682 4.744 12.648
101 HB2 TYR 16 HB2 TYR 16 4.221 6.610 12.538
102 HB3 TYR 16 HB1 TYR 16 5.101 5.106 12.228
103 HD1 TYR 16 HD2 TYR 16 5.946 4.572 9.991
104 HD2 TYR 16 HD1 TYR 16 3.993 8.271 10.775
105 HE1 TYR 16 HE2 TYR 16 6.806 5.472 7.870
106 HE2 TYR 16 HE1 TYR 16 4.845 9.177 8.658
107 HH TYR 16 HH TYR 16 6.681 8.773 7.098
108 H CYS 17 HN CYS 17 2.095 6.788 12.897
109 HA CYS 17 HA CYS 17 -0.512 6.824 11.816
110 HB2 CYS 17 HB2 CYS 17 -0.760 8.689 13.457
111 HB3 CYS 17 HB1 CYS 17 -0.151 7.203 14.137
112 H THR 18 HN THR 18 -1.590 8.678 11.160
113 HA THR 18 HA THR 18 -0.138 10.514 9.426
114 HB THR 18 HB THR 18 -2.218 9.632 8.557
115 HG1 THR 18 HG1 THR 18 -2.054 11.520 7.665
116 HG21 THR 18 HG21 THR 18 -3.454 9.199 10.626
117 HG22 THR 18 HG22 THR 18 -4.415 10.248 9.581
118 HG23 THR 18 HG23 THR 18 -3.538 10.923 10.957
119 H ARG 19 HN ARG 19 -1.045 12.580 9.519
120 HA ARG 19 HA ARG 19 -0.495 13.658 12.196
121 HB2 ARG 19 HB2 ARG 19 -0.072 15.846 11.125
122 HB3 ARG 19 HB1 ARG 19 0.948 14.592 10.460
123 HG2 ARG 19 HG2 ARG 19 0.312 15.827 8.553
124 HG3 ARG 19 HG1 ARG 19 -0.807 14.454 8.604
125 HD2 ARG 19 HD2 ARG 19 -1.857 16.692 8.069
126 HD3 ARG 19 HD1 ARG 19 -2.593 15.767 9.374
127 HE ARG 19 HE ARG 19 -0.620 17.690 10.205
128 HH11 ARG 19 HH11 ARG 19 -4.041 17.326 9.341
129 HH12 ARG 19 HH12 ARG 19 -4.638 18.379 10.505
130 HH21 ARG 19 HH21 ARG 19 -1.439 19.322 11.797
131 HH22 ARG 19 HH22 ARG 19 -3.126 19.582 11.885
132 H GLU 20 HN GLU 20 -2.907 13.004 10.055
133 HA GLU 20 HA GLU 20 -4.545 15.118 10.346
134 HB2 GLU 20 HB2 GLU 20 -5.049 12.459 9.381
135 HB3 GLU 20 HB1 GLU 20 -6.500 13.351 9.883
136 HG2 GLU 20 HG2 GLU 20 -4.481 14.027 7.771
137 HG3 GLU 20 HG1 GLU 20 -6.243 13.943 7.638
138 H SER 21 HN SER 21 -6.112 15.805 11.118
139 HA SER 21 HA SER 21 -6.040 16.321 13.878
140 HB2 SER 21 HB2 SER 21 -8.048 16.820 11.918
141 HB3 SER 21 HB1 SER 21 -7.555 17.964 13.203
142 HG SER 21 HG SER 21 -6.461 17.422 10.671
143 H ASN 22 HN ASN 22 -7.192 13.746 12.938
144 HA ASN 22 HA ASN 22 -10.056 13.684 13.383
145 HB2 ASN 22 HB2 ASN 22 -8.177 11.313 13.443
146 HB3 ASN 22 HB1 ASN 22 -9.926 11.235 13.330
147 HD21 ASN 22 HD21 ASN 22 -10.015 13.522 11.416
148 HD22 ASN 22 HD22 ASN 22 -9.445 12.855 9.927
149 HA PRO 23 HA PRO 23 -9.468 13.576 17.865
150 HB2 PRO 23 HB2 PRO 23 -11.814 14.671 18.571
151 HB3 PRO 23 HB1 PRO 23 -10.516 15.659 17.876
152 HG2 PRO 23 HG2 PRO 23 -13.007 14.720 16.604
153 HG3 PRO 23 HG1 PRO 23 -12.075 16.202 16.322
154 HD2 PRO 23 HD2 PRO 23 -12.004 13.880 14.739
155 HD3 PRO 23 HD1 PRO 23 -10.876 15.247 14.671
156 H HIS 24 HN HIS 24 -10.129 12.141 19.457
157 HA HIS 24 HA HIS 24 -12.380 10.218 19.093
158 HB2 HIS 24 HB2 HIS 24 -9.467 9.442 19.113
159 HB3 HIS 24 HB1 HIS 24 -10.883 8.408 19.237
160 HD1 HIS 24 HD1 HIS 24 -8.753 10.220 16.706
161 HD2 HIS 24 HD2 HIS 24 -12.167 7.869 16.801
162 HE1 HIS 24 HE1 HIS 24 -9.111 9.407 14.362
163 H CYS 25 HN CYS 25 -13.153 10.026 20.726
164 HA CYS 25 HA CYS 25 -11.658 10.171 23.228
165 HB2 CYS 25 HB2 CYS 25 -13.888 11.327 23.084
166 HB3 CYS 25 HB1 CYS 25 -14.607 9.770 22.669
167 H GLY 26 HN GLY 26 -10.563 8.229 23.393
168 HA2 GLY 26 HA2 GLY 26 -11.646 6.053 21.825
169 HA3 GLY 26 HA1 GLY 26 -10.067 6.144 22.586
170 H SER 27 HN SER 27 -11.609 3.862 22.711
171 HA SER 27 HA SER 27 -12.849 3.930 25.125
172 HB2 SER 27 HB2 SER 27 -11.876 1.531 23.540
173 HB3 SER 27 HB1 SER 27 -12.925 1.401 24.955
174 HG SER 27 HG SER 27 -13.958 1.527 22.772
175 H ASP 28 HN ASP 28 -9.803 4.423 24.394
176 HA ASP 28 HA ASP 28 -7.979 3.195 26.228
177 HB2 ASP 28 HB2 ASP 28 -7.425 4.376 24.056
178 HB3 ASP 28 HB1 ASP 28 -8.078 5.846 24.735
179 H GLY 29 HN GLY 29 -10.532 5.220 26.330
180 HA2 GLY 29 HA2 GLY 29 -11.563 5.981 28.331
181 HA3 GLY 29 HA1 GLY 29 -9.956 5.979 29.084
182 H GLN 30 HN GLN 30 -8.678 7.035 26.927
183 HA GLN 30 HA GLN 30 -9.117 9.714 27.659
184 HB2 GLN 30 HB2 GLN 30 -6.828 8.281 26.478
185 HB3 GLN 30 HB1 GLN 30 -6.851 10.039 26.722
186 HG2 GLN 30 HG2 GLN 30 -7.382 9.824 28.908
187 HG3 GLN 30 HG1 GLN 30 -7.630 8.059 28.627
188 HE21 GLN 30 HE21 GLN 30 -5.353 7.370 27.306
189 HE22 GLN 30 HE22 GLN 30 -3.968 7.594 28.321
190 H THR 31 HN THR 31 -8.831 11.354 26.371
191 HA THR 31 HA THR 31 -9.953 10.982 23.687
192 HB THR 31 HB THR 31 -9.674 13.567 25.245
193 HG1 THR 31 HG1 THR 31 -11.515 12.892 26.088
194 HG21 THR 31 HG21 THR 31 -11.063 14.531 23.383
195 HG22 THR 31 HG22 THR 31 -10.908 13.016 22.508
196 HG23 THR 31 HG23 THR 31 -9.479 13.973 22.829
197 H TYR 32 HN TYR 32 -8.830 11.260 21.994
198 HA TYR 32 HA TYR 32 -6.274 12.536 22.292
199 HB2 TYR 32 HB2 TYR 32 -7.003 10.067 20.796
200 HB3 TYR 32 HB1 TYR 32 -5.544 10.989 20.418
201 HD1 TYR 32 HD2 TYR 32 -4.192 11.717 22.593
202 HD2 TYR 32 HD1 TYR 32 -6.743 8.329 22.321
203 HE1 TYR 32 HE2 TYR 32 -3.028 10.713 24.488
204 HE2 TYR 32 HE1 TYR 32 -5.583 7.318 24.234
205 HH TYR 32 HH TYR 32 -3.641 9.009 26.285
206 H GLY 33 HN GLY 33 -5.613 13.793 20.837
207 HA2 GLY 33 HA2 GLY 33 -7.621 15.343 19.543
208 HA3 GLY 33 HA1 GLY 33 -5.902 15.681 19.550
209 H ASN 34 HN ASN 34 -5.251 12.991 18.281
210 HA ASN 34 HA ASN 34 -6.582 13.393 15.777
211 HB2 ASN 34 HB2 ASN 34 -4.723 13.824 14.461
212 HB3 ASN 34 HB1 ASN 34 -4.507 14.877 15.841
213 HD21 ASN 34 HD21 ASN 34 -2.534 14.016 14.000
214 HD22 ASN 34 HD22 ASN 34 -1.321 13.155 14.884
215 H LYS 35 HN LYS 35 -5.510 11.762 14.138
216 HA LYS 35 HA LYS 35 -6.346 9.228 15.080
217 HB2 LYS 35 HB2 LYS 35 -6.510 10.064 12.704
218 HB3 LYS 35 HB1 LYS 35 -4.766 9.888 12.643
219 HG2 LYS 35 HG2 LYS 35 -5.831 8.072 11.443
220 HG3 LYS 35 HG1 LYS 35 -5.008 7.448 12.865
221 HD2 LYS 35 HD2 LYS 35 -7.046 7.072 13.999
222 HD3 LYS 35 HD1 LYS 35 -7.949 8.090 12.876
223 HE2 LYS 35 HE2 LYS 35 -8.409 5.719 12.449
224 HE3 LYS 35 HE1 LYS 35 -7.591 6.455 11.081
225 HZ1 LYS 35 HZ1 LYS 35 -6.368 4.697 13.133
226 HZ2 LYS 35 HZ2 LYS 35 -5.503 5.345 11.811
227 HZ3 LYS 35 HZ3 LYS 35 -6.763 4.248 11.597
228 H CYS 36 HN CYS 36 -3.403 10.452 14.509
229 HA CYS 36 HA CYS 36 -1.698 8.281 15.011
230 HB2 CYS 36 HB2 CYS 36 -0.962 10.506 14.194
231 HB3 CYS 36 HB1 CYS 36 -1.254 11.129 15.798
232 H ALA 37 HN ALA 37 -3.127 10.484 17.108
233 HA ALA 37 HA ALA 37 -1.731 9.788 19.495
234 HB1 ALA 37 HB1 ALA 37 -3.495 11.228 20.565
235 HB2 ALA 37 HB2 ALA 37 -4.265 11.214 18.952
236 HB3 ALA 37 HB3 ALA 37 -2.695 11.948 19.150
237 H PHE 38 HN PHE 38 -4.861 8.950 18.176
238 HA PHE 38 HA PHE 38 -5.493 7.134 20.399
239 HB2 PHE 38 HB2 PHE 38 -7.329 8.451 19.539
240 HB3 PHE 38 HB1 PHE 38 -6.976 7.964 17.893
241 HD1 PHE 38 HD1 PHE 38 -7.754 6.302 21.156
242 HD2 PHE 38 HD2 PHE 38 -8.461 6.526 16.969
243 HE1 PHE 38 HE1 PHE 38 -9.409 4.497 21.333
244 HE2 PHE 38 HE2 PHE 38 -10.114 4.725 17.144
245 HZ PHE 38 HZ PHE 38 -10.585 3.708 19.327
246 H CYS 39 HN CYS 39 -3.767 6.879 17.659
247 HA CYS 39 HA CYS 39 -4.343 4.165 16.736
248 HB2 CYS 39 HB2 CYS 39 -3.097 5.336 15.115
249 HB3 CYS 39 HB1 CYS 39 -2.251 6.273 16.329
250 H LYS 40 HN LYS 40 -2.172 5.381 19.226
251 HA LYS 40 HA LYS 40 -0.803 3.022 19.024
252 HB2 LYS 40 HB2 LYS 40 0.038 3.833 21.176
253 HB3 LYS 40 HB1 LYS 40 0.372 4.841 19.669
254 HG2 LYS 40 HG2 LYS 40 0.028 6.341 21.592
255 HG3 LYS 40 HG1 LYS 40 -1.464 6.361 20.658
256 HD2 LYS 40 HD2 LYS 40 -2.430 4.801 22.078
257 HD3 LYS 40 HD1 LYS 40 -0.997 4.631 23.109
258 HE2 LYS 40 HE2 LYS 40 -1.309 7.057 23.709
259 HE3 LYS 40 HE1 LYS 40 -2.790 7.057 22.754
260 HZ1 LYS 40 HZ1 LYS 40 -3.764 5.383 24.363
261 HZ2 LYS 40 HZ2 LYS 40 -3.300 6.771 25.090
262 HZ3 LYS 40 HZ3 LYS 40 -2.329 5.418 25.234
263 H ALA 41 HN ALA 41 -3.191 4.182 20.623
264 HA ALA 41 HA ALA 41 -3.566 2.542 22.904
265 HB1 ALA 41 HB1 ALA 41 -5.959 3.146 22.583
266 HB2 ALA 41 HB2 ALA 41 -5.384 3.874 21.041
267 HB3 ALA 41 HB3 ALA 41 -4.805 4.514 22.578
268 H ILE 42 HN ILE 42 -4.448 2.321 19.476
269 HA ILE 42 HA ILE 42 -6.091 0.029 19.896
270 HB ILE 42 HB ILE 42 -4.970 1.490 17.506
271 HG12 ILE 42 HG12 ILE 42 -7.765 1.440 18.548
272 HG13 ILE 42 HG11 ILE 42 -6.434 2.461 19.165
273 HG21 ILE 42 HG21 ILE 42 -6.697 0.156 16.276
274 HG22 ILE 42 HG22 ILE 42 -7.002 -0.734 17.809
275 HG23 ILE 42 HG23 ILE 42 -5.393 -0.776 17.042
276 HD11 ILE 42 HD11 ILE 42 -6.049 3.407 17.247
277 HD12 ILE 42 HD12 ILE 42 -7.820 3.571 17.416
278 HD13 ILE 42 HD13 ILE 42 -7.110 2.395 16.262
279 H VAL 43 HN VAL 43 -3.212 0.837 18.352
280 HA VAL 43 HA VAL 43 -2.341 -1.573 17.315
281 HB VAL 43 HB VAL 43 -0.613 0.552 18.380
282 HG11 VAL 43 HG11 VAL 43 0.864 0.105 16.453
283 HG12 VAL 43 HG12 VAL 43 -0.323 -1.036 15.838
284 HG13 VAL 43 HG13 VAL 43 0.558 -1.406 17.337
285 HG21 VAL 43 HG21 VAL 43 -0.833 1.649 16.138
286 HG22 VAL 43 HG22 VAL 43 -2.039 1.783 17.396
287 HG23 VAL 43 HG23 VAL 43 -2.333 0.680 15.991
288 H LYS 44 HN LYS 44 -1.855 -0.271 20.485
289 HA LYS 44 HA LYS 44 0.119 -2.277 20.995
290 HB2 LYS 44 HB2 LYS 44 -0.874 0.020 22.369
291 HB3 LYS 44 HB1 LYS 44 0.259 -1.038 23.245
292 HG2 LYS 44 HG2 LYS 44 0.823 0.376 20.592
293 HG3 LYS 44 HG1 LYS 44 1.497 0.866 22.148
294 HD2 LYS 44 HD2 LYS 44 2.781 -1.147 22.319
295 HD3 LYS 44 HD1 LYS 44 1.961 -1.892 20.960
296 HE2 LYS 44 HE2 LYS 44 3.699 0.562 20.761
297 HE3 LYS 44 HE1 LYS 44 4.257 -1.080 20.459
298 HZ1 LYS 44 HZ1 LYS 44 3.739 -0.076 18.387
299 HZ2 LYS 44 HZ2 LYS 44 2.207 0.422 18.902
300 HZ3 LYS 44 HZ3 LYS 44 2.529 -1.219 18.681
301 H SER 45 HN SER 45 -3.009 -1.448 21.943
302 HA SER 45 HA SER 45 -3.237 -3.445 23.961
303 HB2 SER 45 HB2 SER 45 -4.815 -1.557 23.771
304 HB3 SER 45 HB1 SER 45 -5.439 -2.241 22.272
305 HG SER 45 HG SER 45 -6.179 -2.747 24.739
306 H GLY 46 HN GLY 46 -3.707 -3.431 20.418
307 HA2 GLY 46 HA2 GLY 46 -3.274 -5.369 19.384
308 HA3 GLY 46 HA1 GLY 46 -4.300 -6.187 20.660
309 H GLY 47 HN GLY 47 -5.113 -3.192 19.244
310 HA2 GLY 47 HA2 GLY 47 -6.835 -2.667 17.784
311 HA3 GLY 47 HA1 GLY 47 -7.000 -4.379 17.412
312 H LYS 48 HN LYS 48 -6.925 -4.456 20.582
313 HA LYS 48 HA LYS 48 -9.629 -4.948 20.894
314 HB2 LYS 48 HB2 LYS 48 -7.515 -4.392 22.902
315 HB3 LYS 48 HB1 LYS 48 -9.091 -5.083 23.298
316 HG2 LYS 48 HG2 LYS 48 -8.575 -7.112 22.371
317 HG3 LYS 48 HG1 LYS 48 -7.445 -6.407 21.207
318 HD2 LYS 48 HD2 LYS 48 -5.955 -5.877 23.007
319 HD3 LYS 48 HD1 LYS 48 -7.001 -6.724 24.165
320 HE2 LYS 48 HE2 LYS 48 -6.594 -8.813 23.044
321 HE3 LYS 48 HE1 LYS 48 -5.765 -7.996 21.715
322 HZ1 LYS 48 HZ1 LYS 48 -4.107 -7.247 23.279
323 HZ2 LYS 48 HZ2 LYS 48 -4.132 -8.935 23.189
324 HZ3 LYS 48 HZ3 LYS 48 -4.810 -8.136 24.534
325 H ILE 49 HN ILE 49 -7.878 -1.966 21.270
326 HA ILE 49 HA ILE 49 -10.128 -0.817 22.665
327 HB ILE 49 HB ILE 49 -7.562 0.403 21.713
328 HG12 ILE 49 HG12 ILE 49 -8.530 -0.020 24.519
329 HG13 ILE 49 HG11 ILE 49 -7.644 -1.254 23.626
330 HG21 ILE 49 HG21 ILE 49 -9.753 1.765 23.325
331 HG22 ILE 49 HG22 ILE 49 -9.299 2.159 21.684
332 HG23 ILE 49 HG23 ILE 49 -8.157 2.430 22.996
333 HD11 ILE 49 HD11 ILE 49 -6.657 1.506 24.224
334 HD12 ILE 49 HD12 ILE 49 -5.893 0.177 23.309
335 HD13 ILE 49 HD13 ILE 49 -6.178 -0.017 25.044
336 H SER 50 HN SER 50 -11.374 0.657 21.942
337 HA SER 50 HA SER 50 -11.744 0.910 19.057
338 HB2 SER 50 HB2 SER 50 -14.205 0.671 19.653
339 HB3 SER 50 HB1 SER 50 -13.249 -0.811 19.769
340 HG SER 50 HG SER 50 -13.763 -0.908 21.764
341 H LEU 51 HN LEU 51 -13.618 2.852 18.850
342 HA LEU 51 HA LEU 51 -12.736 4.849 20.432
343 HB2 LEU 51 HB2 LEU 51 -12.872 4.839 18.078
344 HB3 LEU 51 HB1 LEU 51 -14.589 4.487 18.198
345 HG LEU 51 HG LEU 51 -14.819 6.442 19.604
346 HD11 LEU 51 HD11 LEU 51 -12.905 8.069 19.239
347 HD12 LEU 51 HD12 LEU 51 -12.031 6.484 18.898
348 HD13 LEU 51 HD13 LEU 51 -12.875 6.735 20.406
349 HD21 LEU 51 HD21 LEU 51 -14.784 7.906 17.855
350 HD22 LEU 51 HD22 LEU 51 -15.409 6.243 17.497
351 HD23 LEU 51 HD23 LEU 51 -13.807 6.734 16.862
352 H LYS 52 HN LYS 52 -14.098 5.818 21.942
353 HA LYS 52 HA LYS 52 -16.806 4.864 22.264
354 HB2 LYS 52 HB2 LYS 52 -15.814 7.450 23.227
355 HB3 LYS 52 HB1 LYS 52 -17.129 6.509 23.929
356 HG2 LYS 52 HG2 LYS 52 -15.132 4.939 24.561
357 HG3 LYS 52 HG1 LYS 52 -14.245 6.448 24.170
358 HD2 LYS 52 HD2 LYS 52 -15.802 7.689 25.706
359 HD3 LYS 52 HD1 LYS 52 -16.449 6.144 26.235
360 HE2 LYS 52 HE2 LYS 52 -14.907 6.875 27.887
361 HE3 LYS 52 HE1 LYS 52 -14.119 5.567 27.003
362 HZ1 LYS 52 HZ1 LYS 52 -12.820 7.102 25.805
363 HZ2 LYS 52 HZ2 LYS 52 -12.704 7.638 27.413
364 HZ3 LYS 52 HZ3 LYS 52 -13.717 8.416 26.329
365 H HIS 53 HN HIS 53 -15.220 7.667 21.257
366 HA HIS 53 HA HIS 53 -17.639 8.517 19.755
367 HB2 HIS 53 HB2 HIS 53 -16.461 10.357 21.860
368 HB3 HIS 53 HB1 HIS 53 -17.759 10.751 20.760
369 HD1 HIS 53 HD1 HIS 53 -17.391 10.189 24.143
370 HD2 HIS 53 HD2 HIS 53 -19.936 8.544 21.298
371 HE1 HIS 53 HE1 HIS 53 -19.361 9.257 25.411
372 HA PRO 54 HA PRO 54 -14.409 10.581 17.355
373 HB2 PRO 54 HB2 PRO 54 -16.540 11.789 15.772
374 HB3 PRO 54 HB1 PRO 54 -15.398 10.534 15.256
375 HG2 PRO 54 HG2 PRO 54 -18.049 10.076 15.552
376 HG3 PRO 54 HG1 PRO 54 -16.802 8.829 15.748
377 HD2 PRO 54 HD2 PRO 54 -18.296 10.330 17.848
378 HD3 PRO 54 HD1 PRO 54 -17.784 8.626 17.795
379 H GLY 55 HN GLY 55 -13.665 12.234 18.475
380 HA2 GLY 55 HA2 GLY 55 -13.848 14.701 18.821
381 HA3 GLY 55 HA1 GLY 55 -15.519 14.385 19.276
382 H LYS 56 HN LYS 56 -13.943 15.680 21.067
383 HA LYS 56 HA LYS 56 -12.769 13.914 22.862
384 HB2 LYS 56 HB2 LYS 56 -12.308 15.879 24.157
385 HB3 LYS 56 HB1 LYS 56 -12.185 16.249 22.432
386 HG2 LYS 56 HG2 LYS 56 -13.323 18.117 23.090
387 HG3 LYS 56 HG1 LYS 56 -14.619 16.941 22.747
388 HD2 LYS 56 HD2 LYS 56 -15.101 18.182 24.811
389 HD3 LYS 56 HD1 LYS 56 -14.882 16.459 25.096
390 HE2 LYS 56 HE2 LYS 56 -12.544 16.932 25.844
391 HE3 LYS 56 HE1 LYS 56 -12.870 18.653 25.639
392 HZ1 LYS 56 HZ1 LYS 56 -14.352 16.820 27.425
393 HZ2 LYS 56 HZ2 LYS 56 -14.622 18.458 27.356
394 HZ3 LYS 56 HZ3 LYS 56 -13.147 17.841 27.969
395 H CYS 57 HN CYS 57 -13.304 14.232 25.052
396 HA CYS 57 HA CYS 57 -16.123 14.031 25.794
397 HB2 CYS 57 HB2 CYS 57 -13.861 12.197 26.586
398 HB3 CYS 57 HB1 CYS 57 -15.351 12.288 27.525
Start of MODEL 14
1 H GLN 1 HT1 GLN 1 5.198 3.962 7.232
2 HA GLN 1 HA GLN 1 5.227 6.400 7.217
3 HB2 GLN 1 HB2 GLN 1 7.988 5.135 7.226
4 HB3 GLN 1 HB1 GLN 1 7.580 6.685 7.941
5 HG2 GLN 1 HG2 GLN 1 6.482 4.014 8.824
6 HG3 GLN 1 HG1 GLN 1 7.786 4.893 9.613
7 HE21 GLN 1 HE21 GLN 1 6.633 5.009 11.559
8 HE22 GLN 1 HE22 GLN 1 5.264 6.048 11.732
9 H GLY 2 HN GLY 2 4.861 7.758 5.585
10 HA2 GLY 2 HA2 GLY 2 6.998 8.100 3.616
11 HA3 GLY 2 HA1 GLY 2 5.369 7.772 3.033
12 H GLY 3 HN GLY 3 7.327 10.004 4.887
13 HA2 GLY 3 HA2 GLY 3 7.207 12.335 4.876
14 HA3 GLY 3 HA1 GLY 3 5.712 12.223 3.942
15 H GLN 4 HN GLN 4 3.881 11.249 5.108
16 HA GLN 4 HA GLN 4 3.640 12.376 7.771
17 HB2 GLN 4 HB2 GLN 4 1.273 12.063 7.456
18 HB3 GLN 4 HB1 GLN 4 1.973 12.693 5.959
19 HG2 GLN 4 HG2 GLN 4 1.898 10.536 4.925
20 HG3 GLN 4 HG1 GLN 4 1.319 9.802 6.418
21 HE21 GLN 4 HE21 GLN 4 -0.534 9.055 5.522
22 HE22 GLN 4 HE22 GLN 4 -1.845 10.069 5.025
23 H VAL 5 HN VAL 5 2.432 10.916 9.317
24 HA VAL 5 HA VAL 5 3.879 8.436 9.473
25 HB VAL 5 HB VAL 5 1.876 9.628 11.405
26 HG11 VAL 5 HG11 VAL 5 2.005 7.173 11.630
27 HG12 VAL 5 HG12 VAL 5 2.701 7.979 13.035
28 HG13 VAL 5 HG13 VAL 5 3.757 7.286 11.804
29 HG21 VAL 5 HG21 VAL 5 4.894 9.578 11.502
30 HG22 VAL 5 HG22 VAL 5 3.835 10.207 12.767
31 HG23 VAL 5 HG23 VAL 5 3.884 10.986 11.183
32 H ASP 6 HN ASP 6 3.117 6.551 9.103
33 HA ASP 6 HA ASP 6 0.260 6.112 9.168
34 HB2 ASP 6 HB2 ASP 6 0.529 4.314 7.414
35 HB3 ASP 6 HB1 ASP 6 0.791 5.934 6.793
36 H CYS 7 HN CYS 7 -0.273 4.534 10.529
37 HA CYS 7 HA CYS 7 1.799 3.176 11.997
38 HB2 CYS 7 HB2 CYS 7 -1.181 2.680 12.040
39 HB3 CYS 7 HB1 CYS 7 0.011 2.117 13.207
40 H GLY 8 HN GLY 8 2.835 2.473 10.180
41 HA2 GLY 8 HA2 GLY 8 1.916 0.268 8.656
42 HA3 GLY 8 HA1 GLY 8 3.586 0.806 8.817
43 H GLU 9 HN GLU 9 2.844 0.486 11.890
44 HA GLU 9 HA GLU 9 3.958 -2.035 12.323
45 HB2 GLU 9 HB2 GLU 9 2.315 -0.104 13.831
46 HB3 GLU 9 HB1 GLU 9 3.014 -1.531 14.651
47 HG2 GLU 9 HG2 GLU 9 5.260 -0.573 13.993
48 HG3 GLU 9 HG1 GLU 9 4.410 0.848 13.386
49 H PHE 10 HN PHE 10 0.747 -0.658 12.429
50 HA PHE 10 HA PHE 10 -1.426 -1.451 11.988
51 HB2 PHE 10 HB2 PHE 10 0.183 -1.759 9.977
52 HB3 PHE 10 HB1 PHE 10 -0.124 -3.433 10.532
53 HD1 PHE 10 HD2 PHE 10 -2.250 -0.424 9.871
54 HD2 PHE 10 HD1 PHE 10 -1.729 -4.597 9.213
55 HE1 PHE 10 HE2 PHE 10 -4.373 -0.490 8.634
56 HE2 PHE 10 HE1 PHE 10 -3.850 -4.670 7.974
57 HZ PHE 10 HZ PHE 10 -5.177 -2.614 7.683
58 H GLN 11 HN GLN 11 -0.274 -2.630 13.989
59 HA GLN 11 HA GLN 11 -0.300 -5.277 14.649
60 HB2 GLN 11 HB2 GLN 11 -1.366 -2.977 15.981
61 HB3 GLN 11 HB1 GLN 11 -1.641 -4.543 16.797
62 HG2 GLN 11 HG2 GLN 11 0.853 -3.375 15.818
63 HG3 GLN 11 HG1 GLN 11 0.339 -3.274 17.522
64 HE21 GLN 11 HE21 GLN 11 -0.717 -6.096 17.308
65 HE22 GLN 11 HE22 GLN 11 0.695 -7.095 17.369
66 H ASP 12 HN ASP 12 -2.959 -3.364 14.438
67 HA ASP 12 HA ASP 12 -4.738 -5.568 13.870
68 HB2 ASP 12 HB2 ASP 12 -5.060 -4.690 16.121
69 HB3 ASP 12 HB1 ASP 12 -5.222 -3.087 15.409
70 H THR 13 HN THR 13 -6.140 -5.001 12.568
71 HA THR 13 HA THR 13 -5.595 -3.665 10.235
72 HB THR 13 HB THR 13 -8.083 -4.114 9.871
73 HG1 THR 13 HG1 THR 13 -7.989 -4.533 12.500
74 HG21 THR 13 HG21 THR 13 -6.261 -5.511 8.988
75 HG22 THR 13 HG22 THR 13 -7.592 -6.517 9.562
76 HG23 THR 13 HG23 THR 13 -6.139 -6.334 10.543
77 H LYS 14 HN LYS 14 -7.417 -2.297 13.123
78 HA LYS 14 HA LYS 14 -8.559 -0.319 11.405
79 HB2 LYS 14 HB2 LYS 14 -9.921 0.192 13.259
80 HB3 LYS 14 HB1 LYS 14 -9.503 -1.517 13.491
81 HG2 LYS 14 HG2 LYS 14 -7.538 0.066 14.571
82 HG3 LYS 14 HG1 LYS 14 -9.060 0.571 15.385
83 HD2 LYS 14 HD2 LYS 14 -7.662 -2.119 15.190
84 HD3 LYS 14 HD1 LYS 14 -7.699 -1.081 16.606
85 HE2 LYS 14 HE2 LYS 14 -10.118 -1.452 16.789
86 HE3 LYS 14 HE1 LYS 14 -10.060 -2.503 15.371
87 HZ1 LYS 14 HZ1 LYS 14 -8.638 -4.014 16.519
88 HZ2 LYS 14 HZ2 LYS 14 -9.949 -3.727 17.558
89 HZ3 LYS 14 HZ3 LYS 14 -8.449 -2.970 17.802
90 H VAL 15 HN VAL 15 -5.593 -0.803 12.625
91 HA VAL 15 HA VAL 15 -5.311 1.824 13.810
92 HB VAL 15 HB VAL 15 -3.279 -0.346 13.913
93 HG11 VAL 15 HG11 VAL 15 -3.875 2.058 15.617
94 HG12 VAL 15 HG12 VAL 15 -2.476 1.822 14.565
95 HG13 VAL 15 HG13 VAL 15 -2.677 0.838 16.019
96 HG21 VAL 15 HG21 VAL 15 -5.382 -1.221 14.762
97 HG22 VAL 15 HG22 VAL 15 -5.496 0.130 15.894
98 HG23 VAL 15 HG23 VAL 15 -4.190 -1.051 16.049
99 H TYR 16 HN TYR 16 -5.354 2.742 11.760
100 HA TYR 16 HA TYR 16 -2.647 3.382 10.816
101 HB2 TYR 16 HB2 TYR 16 -3.563 3.658 8.566
102 HB3 TYR 16 HB1 TYR 16 -3.871 2.009 9.157
103 HD1 TYR 16 HD2 TYR 16 -6.146 1.299 9.770
104 HD2 TYR 16 HD1 TYR 16 -5.433 5.129 8.054
105 HE1 TYR 16 HE2 TYR 16 -8.544 1.537 9.320
106 HE2 TYR 16 HE1 TYR 16 -7.837 5.375 7.605
107 HH TYR 16 HH TYR 16 -9.821 3.870 7.300
108 H CYS 17 HN CYS 17 -2.440 5.661 10.565
109 HA CYS 17 HA CYS 17 -4.629 7.076 11.890
110 HB2 CYS 17 HB2 CYS 17 -3.003 8.469 12.904
111 HB3 CYS 17 HB1 CYS 17 -2.419 6.815 12.970
112 H THR 18 HN THR 18 -4.301 9.467 11.462
113 HA THR 18 HA THR 18 -4.044 10.008 8.608
114 HB THR 18 HB THR 18 -6.410 9.776 8.990
115 HG1 THR 18 HG1 THR 18 -7.098 11.777 8.337
116 HG21 THR 18 HG21 THR 18 -7.619 11.152 10.648
117 HG22 THR 18 HG22 THR 18 -6.064 11.783 11.196
118 HG23 THR 18 HG23 THR 18 -6.448 10.079 11.435
119 H ARG 19 HN ARG 19 -4.181 12.149 8.378
120 HA ARG 19 HA ARG 19 -2.178 13.487 10.093
121 HB2 ARG 19 HB2 ARG 19 -1.994 15.096 8.060
122 HB3 ARG 19 HB1 ARG 19 -1.265 13.503 7.942
123 HG2 ARG 19 HG2 ARG 19 -2.860 12.737 6.448
124 HG3 ARG 19 HG1 ARG 19 -4.055 13.924 6.964
125 HD2 ARG 19 HD2 ARG 19 -1.519 14.733 5.571
126 HD3 ARG 19 HD1 ARG 19 -2.968 14.264 4.675
127 HE ARG 19 HE ARG 19 -3.835 16.099 6.518
128 HH11 ARG 19 HH11 ARG 19 -1.438 16.289 3.950
129 HH12 ARG 19 HH12 ARG 19 -1.805 17.920 3.570
130 HH21 ARG 19 HH21 ARG 19 -4.361 18.072 6.069
131 HH22 ARG 19 HH22 ARG 19 -3.620 19.055 4.876
132 H GLU 20 HN GLU 20 -5.339 13.538 9.071
133 HA GLU 20 HA GLU 20 -5.771 16.350 9.569
134 HB2 GLU 20 HB2 GLU 20 -7.595 14.090 8.900
135 HB3 GLU 20 HB1 GLU 20 -8.160 15.766 9.059
136 HG2 GLU 20 HG2 GLU 20 -6.271 14.595 7.014
137 HG3 GLU 20 HG1 GLU 20 -7.877 15.260 6.726
138 H SER 21 HN SER 21 -7.212 17.107 11.217
139 HA SER 21 HA SER 21 -6.761 15.523 13.543
140 HB2 SER 21 HB2 SER 21 -8.034 18.216 13.470
141 HB3 SER 21 HB1 SER 21 -7.402 17.219 14.817
142 HG SER 21 HG SER 21 -5.614 17.655 12.763
143 H ASN 22 HN ASN 22 -7.907 14.100 13.698
144 HA ASN 22 HA ASN 22 -10.841 14.298 13.649
145 HB2 ASN 22 HB2 ASN 22 -9.149 11.826 13.161
146 HB3 ASN 22 HB1 ASN 22 -10.902 11.826 13.259
147 HD21 ASN 22 HD21 ASN 22 -11.026 14.438 11.770
148 HD22 ASN 22 HD22 ASN 22 -10.721 13.997 10.128
149 HA PRO 23 HA PRO 23 -9.879 13.665 18.000
150 HB2 PRO 23 HB2 PRO 23 -12.306 14.443 18.959
151 HB3 PRO 23 HB1 PRO 23 -11.050 15.608 18.499
152 HG2 PRO 23 HG2 PRO 23 -13.460 14.784 16.986
153 HG3 PRO 23 HG1 PRO 23 -12.695 16.380 17.119
154 HD2 PRO 23 HD2 PRO 23 -12.386 14.747 14.966
155 HD3 PRO 23 HD1 PRO 23 -11.178 15.945 15.470
156 H HIS 24 HN HIS 24 -10.192 11.876 19.204
157 HA HIS 24 HA HIS 24 -12.457 9.986 18.788
158 HB2 HIS 24 HB2 HIS 24 -9.533 9.396 18.450
159 HB3 HIS 24 HB1 HIS 24 -10.849 8.248 18.573
160 HD1 HIS 24 HD1 HIS 24 -12.774 9.069 16.405
161 HD2 HIS 24 HD2 HIS 24 -8.671 9.433 15.939
162 HE1 HIS 24 HE1 HIS 24 -12.349 9.064 13.923
163 H CYS 25 HN CYS 25 -13.112 9.495 20.383
164 HA CYS 25 HA CYS 25 -11.601 9.460 22.879
165 HB2 CYS 25 HB2 CYS 25 -13.879 10.367 23.029
166 HB3 CYS 25 HB1 CYS 25 -14.495 8.906 22.247
167 H GLY 26 HN GLY 26 -10.365 7.726 22.909
168 HA2 GLY 26 HA2 GLY 26 -10.886 5.411 21.392
169 HA3 GLY 26 HA1 GLY 26 -9.655 5.596 22.635
170 H SER 27 HN SER 27 -11.170 3.422 22.160
171 HA SER 27 HA SER 27 -13.240 2.903 23.903
172 HB2 SER 27 HB2 SER 27 -12.453 0.493 23.936
173 HB3 SER 27 HB1 SER 27 -12.611 1.192 22.325
174 HG SER 27 HG SER 27 -10.408 0.276 23.645
175 H ASP 28 HN ASP 28 -9.848 3.301 24.596
176 HA ASP 28 HA ASP 28 -9.681 2.515 27.322
177 HB2 ASP 28 HB2 ASP 28 -7.744 3.061 25.848
178 HB3 ASP 28 HB1 ASP 28 -8.287 4.736 25.846
179 H GLY 29 HN GLY 29 -10.613 5.333 25.744
180 HA2 GLY 29 HA2 GLY 29 -12.320 6.672 26.963
181 HA3 GLY 29 HA1 GLY 29 -11.263 6.412 28.381
182 H GLN 30 HN GLN 30 -9.077 6.447 26.555
183 HA GLN 30 HA GLN 30 -8.522 9.159 26.905
184 HB2 GLN 30 HB2 GLN 30 -6.971 7.154 25.371
185 HB3 GLN 30 HB1 GLN 30 -6.431 8.821 25.626
186 HG2 GLN 30 HG2 GLN 30 -6.721 8.646 27.810
187 HG3 GLN 30 HG1 GLN 30 -7.327 6.966 27.681
188 HE21 GLN 30 HE21 GLN 30 -5.763 5.799 28.642
189 HE22 GLN 30 HE22 GLN 30 -4.082 5.760 28.229
190 H THR 31 HN THR 31 -8.384 10.714 25.770
191 HA THR 31 HA THR 31 -9.675 10.579 23.130
192 HB THR 31 HB THR 31 -9.366 13.045 24.844
193 HG1 THR 31 HG1 THR 31 -10.946 11.465 25.647
194 HG21 THR 31 HG21 THR 31 -9.413 13.446 22.398
195 HG22 THR 31 HG22 THR 31 -10.878 14.064 23.202
196 HG23 THR 31 HG23 THR 31 -10.945 12.571 22.307
197 H TYR 32 HN TYR 32 -8.466 10.779 21.477
198 HA TYR 32 HA TYR 32 -6.076 12.286 21.761
199 HB2 TYR 32 HB2 TYR 32 -5.251 10.812 19.838
200 HB3 TYR 32 HB1 TYR 32 -5.430 10.187 21.481
201 HD1 TYR 32 HD2 TYR 32 -7.268 8.601 22.030
202 HD2 TYR 32 HD1 TYR 32 -6.399 9.746 18.045
203 HE1 TYR 32 HE2 TYR 32 -8.452 6.609 21.220
204 HE2 TYR 32 HE1 TYR 32 -7.578 7.728 17.218
205 HH TYR 32 HH TYR 32 -9.569 5.842 19.181
206 H GLY 33 HN GLY 33 -5.558 13.756 20.447
207 HA2 GLY 33 HA2 GLY 33 -7.533 15.389 19.309
208 HA3 GLY 33 HA1 GLY 33 -5.810 15.595 19.054
209 H ASN 34 HN ASN 34 -5.272 13.179 17.671
210 HA ASN 34 HA ASN 34 -7.209 13.040 15.616
211 HB2 ASN 34 HB2 ASN 34 -5.602 13.238 13.767
212 HB3 ASN 34 HB1 ASN 34 -5.524 14.688 14.747
213 HD21 ASN 34 HD21 ASN 34 -3.541 15.225 13.921
214 HD22 ASN 34 HD22 ASN 34 -2.095 14.397 14.354
215 H LYS 35 HN LYS 35 -6.468 11.066 14.260
216 HA LYS 35 HA LYS 35 -6.371 8.977 16.229
217 HB2 LYS 35 HB2 LYS 35 -7.544 8.990 13.930
218 HB3 LYS 35 HB1 LYS 35 -5.895 8.686 13.362
219 HG2 LYS 35 HG2 LYS 35 -5.811 6.584 14.514
220 HG3 LYS 35 HG1 LYS 35 -7.363 6.895 15.295
221 HD2 LYS 35 HD2 LYS 35 -8.456 6.900 13.104
222 HD3 LYS 35 HD1 LYS 35 -6.905 6.555 12.339
223 HE2 LYS 35 HE2 LYS 35 -6.781 4.474 13.711
224 HE3 LYS 35 HE1 LYS 35 -8.428 4.802 14.254
225 HZ1 LYS 35 HZ1 LYS 35 -7.614 4.517 11.439
226 HZ2 LYS 35 HZ2 LYS 35 -9.220 4.591 12.002
227 HZ3 LYS 35 HZ3 LYS 35 -8.219 3.255 12.361
228 H CYS 36 HN CYS 36 -4.186 10.202 14.254
229 HA CYS 36 HA CYS 36 -2.115 8.268 14.518
230 HB2 CYS 36 HB2 CYS 36 -2.346 10.464 13.016
231 HB3 CYS 36 HB1 CYS 36 -1.294 11.027 14.323
232 H ALA 37 HN ALA 37 -2.963 10.910 16.255
233 HA ALA 37 HA ALA 37 -0.929 11.396 18.052
234 HB1 ALA 37 HB1 ALA 37 -2.980 12.662 17.822
235 HB2 ALA 37 HB2 ALA 37 -2.672 12.317 19.549
236 HB3 ALA 37 HB3 ALA 37 -3.845 11.372 18.607
237 H PHE 38 HN PHE 38 -3.509 8.952 18.348
238 HA PHE 38 HA PHE 38 -1.792 7.776 20.466
239 HB2 PHE 38 HB2 PHE 38 -3.967 8.666 21.291
240 HB3 PHE 38 HB1 PHE 38 -4.798 7.486 20.296
241 HD1 PHE 38 HD2 PHE 38 -2.246 7.709 23.001
242 HD2 PHE 38 HD1 PHE 38 -5.428 5.479 21.272
243 HE1 PHE 38 HE2 PHE 38 -2.155 6.125 24.881
244 HE2 PHE 38 HE1 PHE 38 -5.343 3.895 23.149
245 HZ PHE 38 HZ PHE 38 -3.705 4.214 24.956
246 H CYS 39 HN CYS 39 -2.600 7.277 17.411
247 HA CYS 39 HA CYS 39 -3.440 4.584 16.978
248 HB2 CYS 39 HB2 CYS 39 -3.288 6.331 15.227
249 HB3 CYS 39 HB1 CYS 39 -1.541 6.279 15.362
250 H LYS 40 HN LYS 40 -0.178 5.781 17.268
251 HA LYS 40 HA LYS 40 0.983 3.324 16.825
252 HB2 LYS 40 HB2 LYS 40 2.729 4.631 18.001
253 HB3 LYS 40 HB1 LYS 40 2.274 5.046 16.261
254 HG2 LYS 40 HG2 LYS 40 2.665 7.130 17.398
255 HG3 LYS 40 HG1 LYS 40 0.927 6.928 17.518
256 HD2 LYS 40 HD2 LYS 40 1.245 5.952 19.727
257 HD3 LYS 40 HD1 LYS 40 2.975 6.331 19.652
258 HE2 LYS 40 HE2 LYS 40 0.635 8.250 19.637
259 HE3 LYS 40 HE1 LYS 40 1.834 8.058 20.908
260 HZ1 LYS 40 HZ1 LYS 40 3.517 8.945 19.384
261 HZ2 LYS 40 HZ2 LYS 40 2.219 10.015 19.590
262 HZ3 LYS 40 HZ3 LYS 40 2.330 9.111 18.177
263 H ALA 41 HN ALA 41 -0.083 4.802 19.353
264 HA ALA 41 HA ALA 41 1.140 3.123 21.407
265 HB1 ALA 41 HB1 ALA 41 -1.122 4.796 21.297
266 HB2 ALA 41 HB2 ALA 41 0.527 5.295 21.908
267 HB3 ALA 41 HB3 ALA 41 -0.514 4.077 22.802
268 H ILE 42 HN ILE 42 -1.867 3.225 19.509
269 HA ILE 42 HA ILE 42 -3.344 1.299 21.089
270 HB ILE 42 HB ILE 42 -3.373 2.278 18.245
271 HG12 ILE 42 HG12 ILE 42 -5.366 2.672 20.454
272 HG13 ILE 42 HG11 ILE 42 -3.838 3.531 20.218
273 HG21 ILE 42 HG21 ILE 42 -5.486 1.006 17.997
274 HG22 ILE 42 HG22 ILE 42 -5.159 0.250 19.594
275 HG23 ILE 42 HG23 ILE 42 -4.012 0.063 18.267
276 HD11 ILE 42 HD11 ILE 42 -5.713 3.376 17.956
277 HD12 ILE 42 HD12 ILE 42 -4.363 4.461 18.473
278 HD13 ILE 42 HD13 ILE 42 -5.933 4.584 19.270
279 H VAL 43 HN VAL 43 -1.346 1.424 18.462
280 HA VAL 43 HA VAL 43 -0.889 -1.216 17.758
281 HB VAL 43 HB VAL 43 1.115 0.965 18.011
282 HG11 VAL 43 HG11 VAL 43 1.045 -1.456 16.198
283 HG12 VAL 43 HG12 VAL 43 2.086 -1.271 17.607
284 HG13 VAL 43 HG13 VAL 43 2.302 -0.218 16.205
285 HG21 VAL 43 HG21 VAL 43 -0.716 0.311 15.746
286 HG22 VAL 43 HG22 VAL 43 0.616 1.487 15.697
287 HG23 VAL 43 HG23 VAL 43 -0.723 1.694 16.863
288 H LYS 44 HN LYS 44 0.527 0.693 20.379
289 HA LYS 44 HA LYS 44 2.499 -1.252 20.954
290 HB2 LYS 44 HB2 LYS 44 1.425 1.055 22.327
291 HB3 LYS 44 HB1 LYS 44 2.798 0.180 23.055
292 HG2 LYS 44 HG2 LYS 44 2.689 1.705 20.430
293 HG3 LYS 44 HG1 LYS 44 3.612 2.153 21.860
294 HD2 LYS 44 HD2 LYS 44 5.126 0.323 21.541
295 HD3 LYS 44 HD1 LYS 44 4.112 -0.387 20.285
296 HE2 LYS 44 HE2 LYS 44 5.436 2.314 20.074
297 HE3 LYS 44 HE1 LYS 44 6.101 0.824 19.405
298 HZ1 LYS 44 HZ1 LYS 44 4.312 0.636 17.902
299 HZ2 LYS 44 HZ2 LYS 44 4.799 2.153 17.725
300 HZ3 LYS 44 HZ3 LYS 44 3.390 1.828 18.621
301 H SER 45 HN SER 45 -0.591 -0.490 22.177
302 HA SER 45 HA SER 45 -0.349 -2.387 24.307
303 HB2 SER 45 HB2 SER 45 -2.783 -0.970 23.276
304 HB3 SER 45 HB1 SER 45 -2.653 -1.826 24.814
305 HG SER 45 HG SER 45 -1.191 0.492 24.029
306 H GLY 46 HN GLY 46 -0.865 -2.820 20.929
307 HA2 GLY 46 HA2 GLY 46 -0.906 -5.027 20.456
308 HA3 GLY 46 HA1 GLY 46 -2.381 -5.158 21.506
309 H GLY 47 HN GLY 47 -2.982 -2.486 20.170
310 HA2 GLY 47 HA2 GLY 47 -4.068 -1.849 18.198
311 HA3 GLY 47 HA1 GLY 47 -4.063 -3.533 17.657
312 H LYS 48 HN LYS 48 -4.801 -3.635 20.769
313 HA LYS 48 HA LYS 48 -7.406 -4.483 20.488
314 HB2 LYS 48 HB2 LYS 48 -5.920 -3.511 22.883
315 HB3 LYS 48 HB1 LYS 48 -7.427 -4.425 22.955
316 HG2 LYS 48 HG2 LYS 48 -6.407 -6.385 22.358
317 HG3 LYS 48 HG1 LYS 48 -5.147 -5.565 21.428
318 HD2 LYS 48 HD2 LYS 48 -4.187 -4.737 23.457
319 HD3 LYS 48 HD1 LYS 48 -5.382 -5.613 24.431
320 HE2 LYS 48 HE2 LYS 48 -4.503 -7.724 23.668
321 HE3 LYS 48 HE1 LYS 48 -3.468 -6.921 22.485
322 HZ1 LYS 48 HZ1 LYS 48 -2.288 -5.871 24.293
323 HZ2 LYS 48 HZ2 LYS 48 -2.166 -7.551 24.404
324 HZ3 LYS 48 HZ3 LYS 48 -3.205 -6.701 25.447
325 H ILE 49 HN ILE 49 -6.179 -1.281 21.156
326 HA ILE 49 HA ILE 49 -8.646 -0.328 22.160
327 HB ILE 49 HB ILE 49 -6.363 1.232 21.024
328 HG12 ILE 49 HG12 ILE 49 -5.935 1.757 23.584
329 HG13 ILE 49 HG11 ILE 49 -6.940 0.325 23.803
330 HG21 ILE 49 HG21 ILE 49 -8.310 2.644 21.026
331 HG22 ILE 49 HG22 ILE 49 -7.285 3.195 22.347
332 HG23 ILE 49 HG23 ILE 49 -8.711 2.218 22.678
333 HD11 ILE 49 HD11 ILE 49 -4.286 0.336 22.347
334 HD12 ILE 49 HD12 ILE 49 -5.320 -1.047 22.662
335 HD13 ILE 49 HD13 ILE 49 -4.587 -0.179 23.992
336 H SER 50 HN SER 50 -10.127 0.686 21.223
337 HA SER 50 HA SER 50 -10.212 1.020 18.307
338 HB2 SER 50 HB2 SER 50 -12.415 -0.178 20.010
339 HB3 SER 50 HB1 SER 50 -12.411 0.043 18.255
340 HG SER 50 HG SER 50 -10.591 -1.584 19.706
341 H LEU 51 HN LEU 51 -12.486 2.486 17.929
342 HA LEU 51 HA LEU 51 -12.135 4.477 19.670
343 HB2 LEU 51 HB2 LEU 51 -12.059 4.631 17.325
344 HB3 LEU 51 HB1 LEU 51 -13.713 4.026 17.253
345 HG LEU 51 HG LEU 51 -14.360 5.796 18.760
346 HD11 LEU 51 HD11 LEU 51 -11.568 6.373 18.277
347 HD12 LEU 51 HD12 LEU 51 -12.468 6.243 19.795
348 HD13 LEU 51 HD13 LEU 51 -12.679 7.701 18.766
349 HD21 LEU 51 HD21 LEU 51 -13.085 6.732 16.288
350 HD22 LEU 51 HD22 LEU 51 -14.568 7.305 17.216
351 HD23 LEU 51 HD23 LEU 51 -14.502 5.662 16.443
352 H LYS 52 HN LYS 52 -13.720 5.207 21.025
353 HA LYS 52 HA LYS 52 -16.345 3.922 21.006
354 HB2 LYS 52 HB2 LYS 52 -15.589 6.361 22.498
355 HB3 LYS 52 HB1 LYS 52 -16.993 5.346 22.785
356 HG2 LYS 52 HG2 LYS 52 -15.163 3.603 23.338
357 HG3 LYS 52 HG1 LYS 52 -14.230 5.142 23.413
358 HD2 LYS 52 HD2 LYS 52 -15.687 6.070 25.089
359 HD3 LYS 52 HD1 LYS 52 -16.832 4.745 24.923
360 HE2 LYS 52 HE2 LYS 52 -15.731 4.369 26.960
361 HE3 LYS 52 HE1 LYS 52 -14.982 3.252 25.824
362 HZ1 LYS 52 HZ1 LYS 52 -13.889 5.815 26.813
363 HZ2 LYS 52 HZ2 LYS 52 -13.223 4.982 25.527
364 HZ3 LYS 52 HZ3 LYS 52 -13.252 4.261 27.053
365 H HIS 53 HN HIS 53 -14.937 6.922 20.607
366 HA HIS 53 HA HIS 53 -17.426 7.854 19.227
367 HB2 HIS 53 HB2 HIS 53 -16.238 9.530 21.451
368 HB3 HIS 53 HB1 HIS 53 -17.671 9.870 20.520
369 HD1 HIS 53 HD1 HIS 53 -16.945 9.077 23.784
370 HD2 HIS 53 HD2 HIS 53 -19.507 7.339 21.002
371 HE1 HIS 53 HE1 HIS 53 -18.663 7.800 25.106
372 HA PRO 54 HA PRO 54 -14.496 10.579 17.131
373 HB2 PRO 54 HB2 PRO 54 -16.736 11.821 15.782
374 HB3 PRO 54 HB1 PRO 54 -15.558 10.701 15.071
375 HG2 PRO 54 HG2 PRO 54 -18.199 10.104 15.407
376 HG3 PRO 54 HG1 PRO 54 -16.898 8.903 15.305
377 HD2 PRO 54 HD2 PRO 54 -18.312 9.931 17.719
378 HD3 PRO 54 HD1 PRO 54 -17.718 8.296 17.339
379 H GLY 55 HN GLY 55 -13.902 12.084 18.527
380 HA2 GLY 55 HA2 GLY 55 -14.349 14.454 19.216
381 HA3 GLY 55 HA1 GLY 55 -15.935 13.865 19.699
382 H LYS 56 HN LYS 56 -14.172 15.139 21.502
383 HA LYS 56 HA LYS 56 -12.683 13.662 23.134
384 HB2 LYS 56 HB2 LYS 56 -14.538 15.886 23.582
385 HB3 LYS 56 HB1 LYS 56 -13.688 15.080 24.899
386 HG2 LYS 56 HG2 LYS 56 -11.563 15.649 23.760
387 HG3 LYS 56 HG1 LYS 56 -12.587 16.516 22.573
388 HD2 LYS 56 HD2 LYS 56 -11.507 17.850 24.579
389 HD3 LYS 56 HD1 LYS 56 -13.191 18.148 24.154
390 HE2 LYS 56 HE2 LYS 56 -12.803 17.917 26.628
391 HE3 LYS 56 HE1 LYS 56 -13.978 16.781 26.002
392 HZ1 LYS 56 HZ1 LYS 56 -11.205 16.176 26.999
393 HZ2 LYS 56 HZ2 LYS 56 -12.040 15.129 25.965
394 HZ3 LYS 56 HZ3 LYS 56 -12.705 15.473 27.398
395 H CYS 57 HN CYS 57 -12.869 12.791 24.959
396 HA CYS 57 HA CYS 57 -15.385 12.642 26.366
397 HB2 CYS 57 HB2 CYS 57 -13.141 10.576 26.257
398 HB3 CYS 57 HB1 CYS 57 -14.340 10.601 27.542
Start of MODEL 15
1 H GLN 1 HT1 GLN 1 7.517 4.156 11.299
2 HA GLN 1 HA GLN 1 9.103 3.800 9.481
3 HB2 GLN 1 HB2 GLN 1 6.349 3.739 9.243
4 HB3 GLN 1 HB1 GLN 1 6.745 4.903 7.995
5 HG2 GLN 1 HG2 GLN 1 7.807 2.082 8.109
6 HG3 GLN 1 HG1 GLN 1 6.440 2.613 7.137
7 HE21 GLN 1 HE21 GLN 1 6.842 3.948 5.333
8 HE22 GLN 1 HE22 GLN 1 8.420 4.081 4.669
9 H GLY 2 HN GLY 2 9.340 5.044 6.977
10 HA2 GLY 2 HA2 GLY 2 9.862 7.872 7.601
11 HA3 GLY 2 HA1 GLY 2 10.984 6.872 6.683
12 H GLY 3 HN GLY 3 8.865 9.236 6.293
13 HA2 GLY 3 HA2 GLY 3 7.706 10.137 4.551
14 HA3 GLY 3 HA1 GLY 3 8.499 8.973 3.456
15 H GLN 4 HN GLN 4 6.250 8.964 6.133
16 HA GLN 4 HA GLN 4 4.506 7.100 4.681
17 HB2 GLN 4 HB2 GLN 4 4.658 5.648 6.464
18 HB3 GLN 4 HB1 GLN 4 6.261 6.396 6.311
19 HG2 GLN 4 HG2 GLN 4 4.226 7.373 8.276
20 HG3 GLN 4 HG1 GLN 4 5.429 6.176 8.723
21 HE21 GLN 4 HE21 GLN 4 4.940 8.772 9.858
22 HE22 GLN 4 HE22 GLN 4 6.377 9.700 9.661
23 H VAL 5 HN VAL 5 2.411 6.929 5.704
24 HA VAL 5 HA VAL 5 1.504 9.060 7.494
25 HB VAL 5 HB VAL 5 0.052 6.722 6.195
26 HG11 VAL 5 HG11 VAL 5 -0.897 7.429 8.245
27 HG12 VAL 5 HG12 VAL 5 -1.985 7.855 6.911
28 HG13 VAL 5 HG13 VAL 5 -1.000 9.104 7.700
29 HG21 VAL 5 HG21 VAL 5 0.818 8.303 4.543
30 HG22 VAL 5 HG22 VAL 5 0.027 9.634 5.399
31 HG23 VAL 5 HG23 VAL 5 -0.943 8.350 4.662
32 H ASP 6 HN ASP 6 1.341 8.358 9.805
33 HA ASP 6 HA ASP 6 2.583 5.743 9.871
34 HB2 ASP 6 HB2 ASP 6 3.858 7.843 10.644
35 HB3 ASP 6 HB1 ASP 6 3.046 7.466 12.171
36 H CYS 7 HN CYS 7 0.664 4.676 10.034
37 HA CYS 7 HA CYS 7 0.601 4.011 12.928
38 HB2 CYS 7 HB2 CYS 7 -1.310 3.162 10.758
39 HB3 CYS 7 HB1 CYS 7 -1.115 2.322 12.305
40 H GLY 8 HN GLY 8 2.829 3.804 11.600
41 HA2 GLY 8 HA2 GLY 8 3.181 1.268 10.335
42 HA3 GLY 8 HA1 GLY 8 4.417 2.459 10.721
43 H GLU 9 HN GLU 9 2.844 2.186 13.542
44 HA GLU 9 HA GLU 9 4.606 0.357 14.689
45 HB2 GLU 9 HB2 GLU 9 3.319 2.323 15.681
46 HB3 GLU 9 HB1 GLU 9 1.954 1.235 15.771
47 HG2 GLU 9 HG2 GLU 9 3.201 -0.310 17.203
48 HG3 GLU 9 HG1 GLU 9 4.616 0.724 17.095
49 H PHE 10 HN PHE 10 1.503 0.178 13.079
50 HA PHE 10 HA PHE 10 0.702 -1.463 11.877
51 HB2 PHE 10 HB2 PHE 10 2.979 -1.879 11.638
52 HB3 PHE 10 HB1 PHE 10 2.922 -3.029 12.981
53 HD1 PHE 10 HD1 PHE 10 1.529 -5.183 12.650
54 HD2 PHE 10 HD2 PHE 10 2.519 -2.590 9.428
55 HE1 PHE 10 HE1 PHE 10 1.056 -6.994 11.058
56 HE2 PHE 10 HE2 PHE 10 2.038 -4.390 7.832
57 HZ PHE 10 HZ PHE 10 1.306 -6.597 8.644
58 H GLN 11 HN GLN 11 -0.859 -1.186 13.541
59 HA GLN 11 HA GLN 11 -1.487 -3.447 15.066
60 HB2 GLN 11 HB2 GLN 11 -3.745 -2.523 15.247
61 HB3 GLN 11 HB1 GLN 11 -2.353 -1.385 15.379
62 HG2 GLN 11 HG2 GLN 11 -2.893 -0.209 13.528
63 HG3 GLN 11 HG1 GLN 11 -3.852 -1.523 12.844
64 HE21 GLN 11 HE21 GLN 11 -5.422 -2.093 15.093
65 HE22 GLN 11 HE22 GLN 11 -6.510 -0.789 15.360
66 H ASP 12 HN ASP 12 -2.559 -2.450 12.096
67 HA ASP 12 HA ASP 12 -2.577 -5.115 11.012
68 HB2 ASP 12 HB2 ASP 12 -4.864 -4.376 11.653
69 HB3 ASP 12 HB1 ASP 12 -4.560 -2.935 10.696
70 H THR 13 HN THR 13 -2.313 -4.832 8.873
71 HA THR 13 HA THR 13 -0.234 -2.982 8.130
72 HB THR 13 HB THR 13 -0.190 -5.294 7.445
73 HG1 THR 13 HG1 THR 13 0.088 -3.173 5.680
74 HG21 THR 13 HG21 THR 13 -2.514 -5.725 6.909
75 HG22 THR 13 HG22 THR 13 -1.520 -6.094 5.499
76 HG23 THR 13 HG23 THR 13 -2.443 -4.592 5.559
77 H LYS 14 HN LYS 14 -3.606 -3.241 7.385
78 HA LYS 14 HA LYS 14 -3.499 -1.367 5.191
79 HB2 LYS 14 HB2 LYS 14 -5.801 -1.908 4.884
80 HB3 LYS 14 HB1 LYS 14 -4.950 -3.330 5.528
81 HG2 LYS 14 HG2 LYS 14 -5.834 -3.016 7.713
82 HG3 LYS 14 HG1 LYS 14 -6.602 -1.503 7.243
83 HD2 LYS 14 HD2 LYS 14 -8.255 -3.286 7.335
84 HD3 LYS 14 HD1 LYS 14 -8.045 -2.748 5.672
85 HE2 LYS 14 HE2 LYS 14 -8.198 -5.186 5.800
86 HE3 LYS 14 HE1 LYS 14 -6.614 -4.691 5.219
87 HZ1 LYS 14 HZ1 LYS 14 -7.197 -5.556 8.036
88 HZ2 LYS 14 HZ2 LYS 14 -5.754 -5.056 7.506
89 HZ3 LYS 14 HZ3 LYS 14 -6.397 -6.471 6.885
90 H VAL 15 HN VAL 15 -3.097 -0.828 8.320
91 HA VAL 15 HA VAL 15 -4.979 1.363 8.525
92 HB VAL 15 HB VAL 15 -3.282 0.162 10.689
93 HG11 VAL 15 HG11 VAL 15 -4.817 1.362 12.168
94 HG12 VAL 15 HG12 VAL 15 -5.636 2.040 10.761
95 HG13 VAL 15 HG13 VAL 15 -3.957 2.464 11.093
96 HG21 VAL 15 HG21 VAL 15 -4.885 -1.361 9.662
97 HG22 VAL 15 HG22 VAL 15 -6.216 -0.294 10.168
98 HG23 VAL 15 HG23 VAL 15 -5.166 -1.076 11.374
99 H TYR 16 HN TYR 16 -4.304 3.191 8.077
100 HA TYR 16 HA TYR 16 -1.614 4.109 8.834
101 HB2 TYR 16 HB2 TYR 16 -3.370 5.130 6.563
102 HB3 TYR 16 HB1 TYR 16 -1.717 5.620 6.925
103 HD1 TYR 16 HD1 TYR 16 0.099 3.773 6.777
104 HD2 TYR 16 HD2 TYR 16 -3.759 3.429 5.015
105 HE1 TYR 16 HE1 TYR 16 0.936 1.996 5.295
106 HE2 TYR 16 HE2 TYR 16 -2.933 1.656 3.532
107 HH TYR 16 HH TYR 16 -0.069 0.059 4.057
108 H CYS 17 HN CYS 17 -1.786 6.508 9.378
109 HA CYS 17 HA CYS 17 -4.176 6.804 10.973
110 HB2 CYS 17 HB2 CYS 17 -2.918 8.428 12.240
111 HB3 CYS 17 HB1 CYS 17 -1.999 6.953 11.991
112 H THR 18 HN THR 18 -4.653 9.171 11.368
113 HA THR 18 HA THR 18 -5.995 10.078 9.057
114 HB THR 18 HB THR 18 -6.613 11.816 10.798
115 HG1 THR 18 HG1 THR 18 -4.882 11.374 12.151
116 HG21 THR 18 HG21 THR 18 -7.107 8.913 11.197
117 HG22 THR 18 HG22 THR 18 -7.911 9.988 10.004
118 HG23 THR 18 HG23 THR 18 -8.168 10.232 11.757
119 H ARG 19 HN ARG 19 -5.838 12.005 8.190
120 HA ARG 19 HA ARG 19 -3.611 13.759 9.003
121 HB2 ARG 19 HB2 ARG 19 -3.718 14.831 6.801
122 HB3 ARG 19 HB1 ARG 19 -3.500 13.099 6.592
123 HG2 ARG 19 HG2 ARG 19 -5.694 12.792 5.871
124 HG3 ARG 19 HG1 ARG 19 -6.218 14.340 6.527
125 HD2 ARG 19 HD2 ARG 19 -4.413 13.911 4.146
126 HD3 ARG 19 HD1 ARG 19 -6.088 14.463 4.110
127 HE ARG 19 HE ARG 19 -3.739 15.994 4.701
128 HH11 ARG 19 HH11 ARG 19 -7.281 15.909 5.283
129 HH12 ARG 19 HH12 ARG 19 -7.474 17.530 5.461
130 HH21 ARG 19 HH21 ARG 19 -4.013 18.369 4.921
131 HH22 ARG 19 HH22 ARG 19 -5.576 18.989 5.226
132 H GLU 20 HN GLU 20 -6.860 13.207 9.205
133 HA GLU 20 HA GLU 20 -7.754 15.965 9.186
134 HB2 GLU 20 HB2 GLU 20 -9.138 13.382 9.742
135 HB3 GLU 20 HB1 GLU 20 -9.961 14.925 9.469
136 HG2 GLU 20 HG2 GLU 20 -8.559 13.095 7.528
137 HG3 GLU 20 HG1 GLU 20 -10.245 13.595 7.526
138 H SER 21 HN SER 21 -8.780 16.750 11.174
139 HA SER 21 HA SER 21 -7.630 15.480 13.499
140 HB2 SER 21 HB2 SER 21 -9.159 18.061 13.408
141 HB3 SER 21 HB1 SER 21 -8.207 17.315 14.721
142 HG SER 21 HG SER 21 -6.797 17.532 12.406
143 H ASN 22 HN ASN 22 -8.641 14.081 14.327
144 HA ASN 22 HA ASN 22 -11.589 14.015 14.412
145 HB2 ASN 22 HB2 ASN 22 -9.718 11.632 14.331
146 HB3 ASN 22 HB1 ASN 22 -11.461 11.535 14.535
147 HD21 ASN 22 HD21 ASN 22 -11.897 13.736 12.543
148 HD22 ASN 22 HD22 ASN 22 -11.613 12.977 11.020
149 HA PRO 23 HA PRO 23 -10.280 14.168 18.743
150 HB2 PRO 23 HB2 PRO 23 -12.480 15.394 19.743
151 HB3 PRO 23 HB1 PRO 23 -11.201 16.303 18.926
152 HG2 PRO 23 HG2 PRO 23 -13.844 15.483 17.865
153 HG3 PRO 23 HG1 PRO 23 -12.927 16.978 17.593
154 HD2 PRO 23 HD2 PRO 23 -13.026 14.888 15.814
155 HD3 PRO 23 HD1 PRO 23 -11.719 16.085 15.885
156 H HIS 24 HN HIS 24 -10.484 12.354 19.902
157 HA HIS 24 HA HIS 24 -12.961 10.886 20.394
158 HB2 HIS 24 HB2 HIS 24 -12.258 9.054 19.152
159 HB3 HIS 24 HB1 HIS 24 -11.956 10.466 18.131
160 HD1 HIS 24 HD1 HIS 24 -9.470 11.129 17.677
161 HD2 HIS 24 HD2 HIS 24 -10.006 7.571 19.740
162 HE1 HIS 24 HE1 HIS 24 -7.276 9.920 17.589
163 H CYS 25 HN CYS 25 -12.938 10.142 22.028
164 HA CYS 25 HA CYS 25 -10.475 9.959 23.626
165 HB2 CYS 25 HB2 CYS 25 -12.437 11.308 24.585
166 HB3 CYS 25 HB1 CYS 25 -13.303 9.755 24.540
167 H GLY 26 HN GLY 26 -9.724 7.995 23.460
168 HA2 GLY 26 HA2 GLY 26 -11.312 5.880 22.405
169 HA3 GLY 26 HA1 GLY 26 -9.657 5.762 22.996
170 H SER 27 HN SER 27 -11.642 3.954 23.438
171 HA SER 27 HA SER 27 -12.828 3.923 25.920
172 HB2 SER 27 HB2 SER 27 -11.465 1.531 24.661
173 HB3 SER 27 HB1 SER 27 -12.737 1.482 25.879
174 HG SER 27 HG SER 27 -14.195 2.149 24.414
175 H ASP 28 HN ASP 28 -9.473 3.880 25.222
176 HA ASP 28 HA ASP 28 -8.300 2.906 27.635
177 HB2 ASP 28 HB2 ASP 28 -7.146 3.288 25.424
178 HB3 ASP 28 HB1 ASP 28 -7.315 5.011 25.724
179 H GLY 29 HN GLY 29 -9.830 5.726 26.682
180 HA2 GLY 29 HA2 GLY 29 -10.593 7.303 28.380
181 HA3 GLY 29 HA1 GLY 29 -9.122 6.853 29.280
182 H GLN 30 HN GLN 30 -7.725 6.776 26.794
183 HA GLN 30 HA GLN 30 -6.777 9.405 26.911
184 HB2 GLN 30 HB2 GLN 30 -6.114 7.318 24.919
185 HB3 GLN 30 HB1 GLN 30 -5.329 8.898 24.977
186 HG2 GLN 30 HG2 GLN 30 -4.822 8.645 27.091
187 HG3 GLN 30 HG1 GLN 30 -5.623 7.043 27.192
188 HE21 GLN 30 HE21 GLN 30 -3.967 5.664 27.482
189 HE22 GLN 30 HE22 GLN 30 -2.554 5.409 26.546
190 H THR 31 HN THR 31 -6.911 10.968 25.788
191 HA THR 31 HA THR 31 -8.833 11.012 23.525
192 HB THR 31 HB THR 31 -8.119 13.332 25.315
193 HG1 THR 31 HG1 THR 31 -9.706 11.528 25.948
194 HG21 THR 31 HG21 THR 31 -8.509 14.064 22.976
195 HG22 THR 31 HG22 THR 31 -9.911 14.549 23.994
196 HG23 THR 31 HG23 THR 31 -10.025 13.176 22.946
197 H TYR 32 HN TYR 32 -8.098 11.532 21.645
198 HA TYR 32 HA TYR 32 -5.785 13.209 21.595
199 HB2 TYR 32 HB2 TYR 32 -5.979 10.572 20.268
200 HB3 TYR 32 HB1 TYR 32 -4.977 11.847 19.597
201 HD1 TYR 32 HD2 TYR 32 -3.059 12.755 20.891
202 HD2 TYR 32 HD1 TYR 32 -5.261 9.391 22.266
203 HE1 TYR 32 HE2 TYR 32 -1.221 12.176 22.409
204 HE2 TYR 32 HE1 TYR 32 -3.437 8.817 23.776
205 HH TYR 32 HH TYR 32 -0.918 10.903 24.499
206 H GLY 33 HN GLY 33 -5.381 14.116 19.781
207 HA2 GLY 33 HA2 GLY 33 -7.617 15.466 18.635
208 HA3 GLY 33 HA1 GLY 33 -5.942 15.735 18.193
209 H ASN 34 HN ASN 34 -5.772 12.668 17.394
210 HA ASN 34 HA ASN 34 -7.698 12.413 15.376
211 HB2 ASN 34 HB2 ASN 34 -6.073 12.400 13.475
212 HB3 ASN 34 HB1 ASN 34 -6.318 13.997 14.166
213 HD21 ASN 34 HD21 ASN 34 -4.608 15.056 15.029
214 HD22 ASN 34 HD22 ASN 34 -2.997 14.430 15.007
215 H LYS 35 HN LYS 35 -6.914 10.423 13.951
216 HA LYS 35 HA LYS 35 -6.681 8.351 15.868
217 HB2 LYS 35 HB2 LYS 35 -7.871 8.089 13.647
218 HB3 LYS 35 HB1 LYS 35 -6.238 8.070 12.956
219 HG2 LYS 35 HG2 LYS 35 -5.698 6.063 14.281
220 HG3 LYS 35 HG1 LYS 35 -7.339 6.047 14.915
221 HD2 LYS 35 HD2 LYS 35 -8.188 5.738 12.615
222 HD3 LYS 35 HD1 LYS 35 -6.523 5.694 12.030
223 HE2 LYS 35 HE2 LYS 35 -7.785 3.754 13.979
224 HE3 LYS 35 HE1 LYS 35 -7.403 3.429 12.291
225 HZ1 LYS 35 HZ1 LYS 35 -5.712 2.502 13.757
226 HZ2 LYS 35 HZ2 LYS 35 -5.416 4.005 14.441
227 HZ3 LYS 35 HZ3 LYS 35 -5.036 3.728 12.824
228 H CYS 36 HN CYS 36 -4.601 9.647 13.749
229 HA CYS 36 HA CYS 36 -2.309 7.994 13.924
230 HB2 CYS 36 HB2 CYS 36 -2.713 10.326 12.662
231 HB3 CYS 36 HB1 CYS 36 -1.834 10.930 14.042
232 H ALA 37 HN ALA 37 -3.356 10.475 15.863
233 HA ALA 37 HA ALA 37 -1.173 10.738 17.672
234 HB1 ALA 37 HB1 ALA 37 -2.797 12.484 17.327
235 HB2 ALA 37 HB2 ALA 37 -2.910 12.019 19.043
236 HB3 ALA 37 HB3 ALA 37 -4.043 11.384 17.842
237 H PHE 38 HN PHE 38 -4.160 8.902 17.866
238 HA PHE 38 HA PHE 38 -3.317 7.641 20.425
239 HB2 PHE 38 HB2 PHE 38 -5.496 8.754 20.396
240 HB3 PHE 38 HB1 PHE 38 -6.017 7.752 19.059
241 HD1 PHE 38 HD1 PHE 38 -4.555 7.219 22.465
242 HD2 PHE 38 HD2 PHE 38 -7.555 6.175 19.649
243 HE1 PHE 38 HE1 PHE 38 -5.530 5.642 24.080
244 HE2 PHE 38 HE2 PHE 38 -8.527 4.600 21.257
245 HZ PHE 38 HZ PHE 38 -7.509 4.344 23.484
246 H CYS 39 HN CYS 39 -2.739 6.929 17.387
247 HA CYS 39 HA CYS 39 -3.999 4.421 16.898
248 HB2 CYS 39 HB2 CYS 39 -2.941 5.966 15.165
249 HB3 CYS 39 HB1 CYS 39 -1.387 5.357 15.710
250 H LYS 40 HN LYS 40 -1.011 5.307 18.392
251 HA LYS 40 HA LYS 40 0.167 2.836 18.368
252 HB2 LYS 40 HB2 LYS 40 1.261 3.981 20.300
253 HB3 LYS 40 HB1 LYS 40 1.582 4.551 18.585
254 HG2 LYS 40 HG2 LYS 40 1.499 6.505 20.032
255 HG3 LYS 40 HG1 LYS 40 -0.072 6.433 19.258
256 HD2 LYS 40 HD2 LYS 40 -1.054 5.511 21.228
257 HD3 LYS 40 HD1 LYS 40 0.508 5.401 22.054
258 HE2 LYS 40 HE2 LYS 40 0.673 7.892 21.932
259 HE3 LYS 40 HE1 LYS 40 -0.915 7.940 21.176
260 HZ1 LYS 40 HZ1 LYS 40 -1.895 7.068 23.271
261 HZ2 LYS 40 HZ2 LYS 40 -1.026 8.452 23.549
262 HZ3 LYS 40 HZ3 LYS 40 -0.362 6.982 23.966
263 H ALA 41 HN ALA 41 -1.834 4.275 20.321
264 HA ALA 41 HA ALA 41 -1.617 2.556 22.644
265 HB1 ALA 41 HB1 ALA 41 -3.688 4.218 21.534
266 HB2 ALA 41 HB2 ALA 41 -2.559 4.705 22.835
267 HB3 ALA 41 HB3 ALA 41 -3.869 3.501 23.145
268 H ILE 42 HN ILE 42 -3.491 2.673 19.638
269 HA ILE 42 HA ILE 42 -5.419 0.711 20.425
270 HB ILE 42 HB ILE 42 -4.545 2.047 17.891
271 HG12 ILE 42 HG12 ILE 42 -7.081 2.300 19.430
272 HG13 ILE 42 HG11 ILE 42 -5.513 3.079 19.793
273 HG21 ILE 42 HG21 ILE 42 -6.495 1.062 16.827
274 HG22 ILE 42 HG22 ILE 42 -6.814 0.138 18.325
275 HG23 ILE 42 HG23 ILE 42 -5.283 -0.087 17.428
276 HD11 ILE 42 HD11 ILE 42 -6.724 3.323 17.094
277 HD12 ILE 42 HD12 ILE 42 -5.423 4.188 17.987
278 HD13 ILE 42 HD13 ILE 42 -7.112 4.457 18.431
279 H VAL 43 HN VAL 43 -2.684 0.995 18.540
280 HA VAL 43 HA VAL 43 -2.353 -1.472 17.323
281 HB VAL 43 HB VAL 43 -0.236 0.239 18.516
282 HG11 VAL 43 HG11 VAL 43 0.654 -1.921 17.768
283 HG12 VAL 43 HG12 VAL 43 1.188 -0.673 16.635
284 HG13 VAL 43 HG13 VAL 43 -0.146 -1.741 16.208
285 HG21 VAL 43 HG21 VAL 43 -1.495 0.483 15.786
286 HG22 VAL 43 HG22 VAL 43 -0.111 1.426 16.424
287 HG23 VAL 43 HG23 VAL 43 -1.675 1.514 17.219
288 H LYS 44 HN LYS 44 -1.170 -0.405 20.407
289 HA LYS 44 HA LYS 44 0.214 -2.778 20.994
290 HB2 LYS 44 HB2 LYS 44 -0.694 -0.481 22.519
291 HB3 LYS 44 HB1 LYS 44 0.241 -1.752 23.353
292 HG2 LYS 44 HG2 LYS 44 2.036 -1.360 21.639
293 HG3 LYS 44 HG1 LYS 44 1.081 -0.011 21.027
294 HD2 LYS 44 HD2 LYS 44 1.244 1.061 23.242
295 HD3 LYS 44 HD1 LYS 44 2.275 -0.268 23.787
296 HE2 LYS 44 HE2 LYS 44 3.639 1.623 23.108
297 HE3 LYS 44 HE1 LYS 44 3.876 0.272 21.997
298 HZ1 LYS 44 HZ1 LYS 44 2.197 2.686 21.463
299 HZ2 LYS 44 HZ2 LYS 44 2.265 1.339 20.485
300 HZ3 LYS 44 HZ3 LYS 44 3.585 2.225 20.624
301 H SER 45 HN SER 45 -2.857 -1.586 21.841
302 HA SER 45 HA SER 45 -3.459 -3.913 23.436
303 HB2 SER 45 HB2 SER 45 -5.225 -1.632 22.612
304 HB3 SER 45 HB1 SER 45 -5.587 -2.831 23.860
305 HG SER 45 HG SER 45 -3.950 -0.616 23.978
306 H GLY 46 HN GLY 46 -3.128 -3.813 20.239
307 HA2 GLY 46 HA2 GLY 46 -3.627 -5.412 18.871
308 HA3 GLY 46 HA1 GLY 46 -4.856 -5.983 20.071
309 H GLY 47 HN GLY 47 -5.195 -2.838 19.224
310 HA2 GLY 47 HA2 GLY 47 -6.688 -1.785 17.794
311 HA3 GLY 47 HA1 GLY 47 -6.924 -3.322 16.969
312 H LYS 48 HN LYS 48 -7.207 -3.994 20.159
313 HA LYS 48 HA LYS 48 -9.959 -4.355 19.982
314 HB2 LYS 48 HB2 LYS 48 -8.159 -4.429 22.318
315 HB3 LYS 48 HB1 LYS 48 -9.792 -5.121 22.327
316 HG2 LYS 48 HG2 LYS 48 -7.332 -6.057 20.833
317 HG3 LYS 48 HG1 LYS 48 -8.300 -6.963 21.996
318 HD2 LYS 48 HD2 LYS 48 -10.179 -6.981 20.386
319 HD3 LYS 48 HD1 LYS 48 -9.158 -6.043 19.282
320 HE2 LYS 48 HE2 LYS 48 -8.532 -8.826 20.261
321 HE3 LYS 48 HE1 LYS 48 -9.210 -8.434 18.682
322 HZ1 LYS 48 HZ1 LYS 48 -6.846 -8.715 18.461
323 HZ2 LYS 48 HZ2 LYS 48 -6.553 -7.639 19.726
324 HZ3 LYS 48 HZ3 LYS 48 -7.172 -7.058 18.285
325 H ILE 49 HN ILE 49 -8.129 -1.689 21.096
326 HA ILE 49 HA ILE 49 -10.177 -0.597 22.773
327 HB ILE 49 HB ILE 49 -8.026 0.893 21.299
328 HG12 ILE 49 HG12 ILE 49 -7.959 -0.128 24.123
329 HG13 ILE 49 HG11 ILE 49 -7.247 -0.985 22.758
330 HG21 ILE 49 HG21 ILE 49 -9.581 1.623 23.792
331 HG22 ILE 49 HG22 ILE 49 -9.794 2.358 22.204
332 HG23 ILE 49 HG23 ILE 49 -8.276 2.571 23.083
333 HD11 ILE 49 HD11 ILE 49 -5.637 0.325 24.035
334 HD12 ILE 49 HD12 ILE 49 -6.500 1.812 23.538
335 HD13 ILE 49 HD13 ILE 49 -5.793 0.707 22.333
336 H SER 50 HN SER 50 -11.681 0.873 22.326
337 HA SER 50 HA SER 50 -12.373 1.494 19.528
338 HB2 SER 50 HB2 SER 50 -14.249 0.759 21.796
339 HB3 SER 50 HB1 SER 50 -14.692 1.095 20.121
340 HG SER 50 HG SER 50 -12.815 -0.888 20.385
341 H LEU 51 HN LEU 51 -14.285 3.454 19.829
342 HA LEU 51 HA LEU 51 -13.023 5.253 21.277
343 HB2 LEU 51 HB2 LEU 51 -13.904 5.464 19.101
344 HB3 LEU 51 HB1 LEU 51 -15.516 5.167 19.746
345 HG LEU 51 HG LEU 51 -15.176 6.981 21.278
346 HD11 LEU 51 HD11 LEU 51 -12.754 7.149 19.632
347 HD12 LEU 51 HD12 LEU 51 -12.920 7.019 21.387
348 HD13 LEU 51 HD13 LEU 51 -13.329 8.566 20.586
349 HD21 LEU 51 HD21 LEU 51 -16.316 6.984 19.265
350 HD22 LEU 51 HD22 LEU 51 -14.857 7.664 18.452
351 HD23 LEU 51 HD23 LEU 51 -15.685 8.549 19.841
352 H LYS 52 HN LYS 52 -13.850 6.323 23.191
353 HA LYS 52 HA LYS 52 -16.093 5.243 24.423
354 HB2 LYS 52 HB2 LYS 52 -14.045 5.233 25.577
355 HB3 LYS 52 HB1 LYS 52 -13.763 6.865 24.916
356 HG2 LYS 52 HG2 LYS 52 -15.124 7.750 26.067
357 HG3 LYS 52 HG1 LYS 52 -15.999 6.325 26.726
358 HD2 LYS 52 HD2 LYS 52 -13.724 5.717 27.830
359 HD3 LYS 52 HD1 LYS 52 -13.192 7.344 27.416
360 HE2 LYS 52 HE2 LYS 52 -15.519 6.668 29.214
361 HE3 LYS 52 HE1 LYS 52 -13.917 7.152 29.764
362 HZ1 LYS 52 HZ1 LYS 52 -14.238 9.255 28.569
363 HZ2 LYS 52 HZ2 LYS 52 -15.375 9.043 29.791
364 HZ3 LYS 52 HZ3 LYS 52 -15.820 8.825 28.187
365 H HIS 53 HN HIS 53 -14.723 8.046 23.118
366 HA HIS 53 HA HIS 53 -17.367 9.433 23.285
367 HB2 HIS 53 HB2 HIS 53 -14.802 10.779 24.201
368 HB3 HIS 53 HB1 HIS 53 -16.232 11.623 23.743
369 HD1 HIS 53 HD1 HIS 53 -15.860 12.632 26.173
370 HD2 HIS 53 HD2 HIS 53 -17.150 8.691 25.991
371 HE1 HIS 53 HE1 HIS 53 -16.758 12.091 28.470
372 HA PRO 54 HA PRO 54 -15.910 11.083 19.353
373 HB2 PRO 54 HB2 PRO 54 -18.500 12.450 19.264
374 HB3 PRO 54 HB1 PRO 54 -17.927 11.171 18.175
375 HG2 PRO 54 HG2 PRO 54 -19.963 10.799 19.907
376 HG3 PRO 54 HG1 PRO 54 -18.877 9.499 19.376
377 HD2 PRO 54 HD2 PRO 54 -18.862 11.020 21.942
378 HD3 PRO 54 HD1 PRO 54 -18.559 9.294 21.632
379 H GLY 55 HN GLY 55 -14.555 12.699 19.908
380 HA2 GLY 55 HA2 GLY 55 -14.208 15.022 20.519
381 HA3 GLY 55 HA1 GLY 55 -15.596 14.876 21.587
382 H LYS 56 HN LYS 56 -13.397 15.796 22.765
383 HA LYS 56 HA LYS 56 -11.724 13.897 23.866
384 HB2 LYS 56 HB2 LYS 56 -11.018 15.662 25.301
385 HB3 LYS 56 HB1 LYS 56 -11.373 16.306 23.688
386 HG2 LYS 56 HG2 LYS 56 -13.403 17.301 24.417
387 HG3 LYS 56 HG1 LYS 56 -13.311 16.484 25.977
388 HD2 LYS 56 HD2 LYS 56 -11.302 18.536 25.014
389 HD3 LYS 56 HD1 LYS 56 -12.674 18.913 26.050
390 HE2 LYS 56 HE2 LYS 56 -10.493 16.929 26.772
391 HE3 LYS 56 HE1 LYS 56 -10.507 18.610 27.273
392 HZ1 LYS 56 HZ1 LYS 56 -11.394 17.002 28.959
393 HZ2 LYS 56 HZ2 LYS 56 -12.641 16.626 27.992
394 HZ3 LYS 56 HZ3 LYS 56 -12.517 18.192 28.582
395 H CYS 57 HN CYS 57 -11.557 13.458 26.084
396 HA CYS 57 HA CYS 57 -14.090 13.183 27.485
397 HB2 CYS 57 HB2 CYS 57 -11.322 12.083 27.986
398 HB3 CYS 57 HB1 CYS 57 -12.527 12.103 29.272
Start of MODEL 16
1 H GLN 1 HT1 GLN 1 -1.206 -1.479 6.533
2 HA GLN 1 HA GLN 1 -2.984 0.733 5.767
3 HB2 GLN 1 HB2 GLN 1 -0.012 0.555 6.213
4 HB3 GLN 1 HB1 GLN 1 -0.752 1.845 5.289
5 HG2 GLN 1 HG2 GLN 1 -2.111 2.381 7.292
6 HG3 GLN 1 HG1 GLN 1 -1.129 1.232 8.202
7 HE21 GLN 1 HE21 GLN 1 1.025 1.796 8.739
8 HE22 GLN 1 HE22 GLN 1 1.599 3.397 8.424
9 H GLY 2 HN GLY 2 -1.798 1.696 3.718
10 HA2 GLY 2 HA2 GLY 2 -1.010 -0.388 1.844
11 HA3 GLY 2 HA1 GLY 2 -2.354 0.692 1.421
12 H GLY 3 HN GLY 3 -1.927 3.040 1.845
13 HA2 GLY 3 HA2 GLY 3 0.695 3.814 0.906
14 HA3 GLY 3 HA1 GLY 3 -0.654 4.900 1.293
15 H GLN 4 HN GLN 4 2.285 4.716 2.282
16 HA GLN 4 HA GLN 4 1.892 3.992 4.982
17 HB2 GLN 4 HB2 GLN 4 4.295 4.319 5.212
18 HB3 GLN 4 HB1 GLN 4 3.799 3.328 3.833
19 HG2 GLN 4 HG2 GLN 4 4.325 4.994 2.267
20 HG3 GLN 4 HG1 GLN 4 4.544 6.210 3.522
21 HE21 GLN 4 HE21 GLN 4 6.068 4.465 5.289
22 HE22 GLN 4 HE22 GLN 4 7.610 4.282 4.538
23 H VAL 5 HN VAL 5 0.767 5.317 6.186
24 HA VAL 5 HA VAL 5 1.773 8.046 6.572
25 HB VAL 5 HB VAL 5 -0.534 6.612 7.912
26 HG11 VAL 5 HG11 VAL 5 -1.271 8.873 8.565
27 HG12 VAL 5 HG12 VAL 5 0.198 9.531 7.830
28 HG13 VAL 5 HG13 VAL 5 0.309 8.416 9.200
29 HG21 VAL 5 HG21 VAL 5 -0.701 8.526 5.581
30 HG22 VAL 5 HG22 VAL 5 -2.080 7.837 6.450
31 HG23 VAL 5 HG23 VAL 5 -0.988 6.788 5.536
32 H ASP 6 HN ASP 6 2.651 8.419 8.856
33 HA ASP 6 HA ASP 6 3.643 5.818 9.527
34 HB2 ASP 6 HB2 ASP 6 5.264 7.647 9.036
35 HB3 ASP 6 HB1 ASP 6 4.869 8.232 10.672
36 H CYS 7 HN CYS 7 1.645 5.372 10.552
37 HA CYS 7 HA CYS 7 2.596 5.341 13.382
38 HB2 CYS 7 HB2 CYS 7 0.005 4.302 12.262
39 HB3 CYS 7 HB1 CYS 7 0.550 4.380 13.959
40 H GLY 8 HN GLY 8 4.413 4.643 12.336
41 HA2 GLY 8 HA2 GLY 8 4.578 2.071 11.201
42 HA3 GLY 8 HA1 GLY 8 5.899 2.995 11.898
43 H GLU 9 HN GLU 9 3.814 2.933 14.254
44 HA GLU 9 HA GLU 9 4.893 0.964 15.887
45 HB2 GLU 9 HB2 GLU 9 2.331 2.426 15.668
46 HB3 GLU 9 HB1 GLU 9 2.851 1.600 17.179
47 HG2 GLU 9 HG2 GLU 9 4.684 3.206 17.328
48 HG3 GLU 9 HG1 GLU 9 4.239 3.899 15.775
49 H PHE 10 HN PHE 10 1.921 1.322 14.079
50 HA PHE 10 HA PHE 10 0.673 -0.048 12.597
51 HB2 PHE 10 HB2 PHE 10 3.070 0.202 11.815
52 HB3 PHE 10 HB1 PHE 10 3.112 -1.455 12.479
53 HD1 PHE 10 HD1 PHE 10 0.610 0.276 10.304
54 HD2 PHE 10 HD2 PHE 10 3.310 -2.996 10.673
55 HE1 PHE 10 HE1 PHE 10 -0.219 -0.651 8.182
56 HE2 PHE 10 HE2 PHE 10 2.480 -3.922 8.552
57 HZ PHE 10 HZ PHE 10 0.713 -2.747 7.306
58 H GLN 11 HN GLN 11 0.912 -1.055 15.148
59 HA GLN 11 HA GLN 11 1.149 -3.813 15.484
60 HB2 GLN 11 HB2 GLN 11 -0.617 -1.883 16.690
61 HB3 GLN 11 HB1 GLN 11 -0.552 -3.553 17.366
62 HG2 GLN 11 HG2 GLN 11 1.553 -1.648 16.816
63 HG3 GLN 11 HG1 GLN 11 0.874 -1.901 18.460
64 HE21 GLN 11 HE21 GLN 11 3.659 -2.239 17.485
65 HE22 GLN 11 HE22 GLN 11 4.072 -3.891 17.808
66 H ASP 12 HN ASP 12 -1.196 -2.170 14.001
67 HA ASP 12 HA ASP 12 -2.562 -4.528 13.141
68 HB2 ASP 12 HB2 ASP 12 -3.556 -3.508 15.097
69 HB3 ASP 12 HB1 ASP 12 -3.772 -2.035 14.153
70 H THR 13 HN THR 13 -3.848 -3.803 11.417
71 HA THR 13 HA THR 13 -2.194 -2.481 9.471
72 HB THR 13 HB THR 13 -3.437 -4.505 8.927
73 HG1 THR 13 HG1 THR 13 -4.209 -3.785 6.850
74 HG21 THR 13 HG21 THR 13 -5.896 -2.748 8.950
75 HG22 THR 13 HG22 THR 13 -5.563 -4.103 10.029
76 HG23 THR 13 HG23 THR 13 -5.848 -4.392 8.312
77 H LYS 14 HN LYS 14 -5.188 -1.660 11.072
78 HA LYS 14 HA LYS 14 -5.729 0.634 9.459
79 HB2 LYS 14 HB2 LYS 14 -7.676 0.860 10.865
80 HB3 LYS 14 HB1 LYS 14 -7.279 -0.844 10.539
81 HG2 LYS 14 HG2 LYS 14 -6.384 -1.184 12.686
82 HG3 LYS 14 HG1 LYS 14 -6.560 0.520 13.094
83 HD2 LYS 14 HD2 LYS 14 -8.959 0.345 13.052
84 HD3 LYS 14 HD1 LYS 14 -8.873 -1.301 12.419
85 HE2 LYS 14 HE2 LYS 14 -7.774 -0.439 15.094
86 HE3 LYS 14 HE1 LYS 14 -9.351 -1.194 14.860
87 HZ1 LYS 14 HZ1 LYS 14 -6.903 -2.524 13.859
88 HZ2 LYS 14 HZ2 LYS 14 -8.356 -3.239 14.315
89 HZ3 LYS 14 HZ3 LYS 14 -7.297 -2.590 15.474
90 H VAL 15 HN VAL 15 -3.228 0.326 11.408
91 HA VAL 15 HA VAL 15 -3.622 2.751 12.939
92 HB VAL 15 HB VAL 15 -1.193 0.976 12.947
93 HG11 VAL 15 HG11 VAL 15 -0.916 3.209 13.888
94 HG12 VAL 15 HG12 VAL 15 -0.737 1.965 15.126
95 HG13 VAL 15 HG13 VAL 15 -2.229 2.907 15.024
96 HG21 VAL 15 HG21 VAL 15 -3.586 0.826 14.766
97 HG22 VAL 15 HG22 VAL 15 -2.100 -0.122 14.934
98 HG23 VAL 15 HG23 VAL 15 -3.136 -0.327 13.513
99 H TYR 16 HN TYR 16 -3.688 4.051 11.216
100 HA TYR 16 HA TYR 16 -1.114 5.190 10.360
101 HB2 TYR 16 HB2 TYR 16 -2.146 5.691 8.157
102 HB3 TYR 16 HB1 TYR 16 -2.256 3.964 8.519
103 HD1 TYR 16 HD2 TYR 16 -4.397 2.905 8.882
104 HD2 TYR 16 HD1 TYR 16 -4.156 7.067 8.032
105 HE1 TYR 16 HE2 TYR 16 -6.809 2.950 8.438
106 HE2 TYR 16 HE1 TYR 16 -6.572 7.119 7.587
107 HH TYR 16 HH TYR 16 -8.362 5.507 6.937
108 H CYS 17 HN CYS 17 -1.417 7.623 10.345
109 HA CYS 17 HA CYS 17 -3.797 8.350 11.886
110 HB2 CYS 17 HB2 CYS 17 -2.445 9.819 13.155
111 HB3 CYS 17 HB1 CYS 17 -1.600 8.308 12.915
112 H THR 18 HN THR 18 -3.818 10.801 11.942
113 HA THR 18 HA THR 18 -3.814 11.984 9.275
114 HB THR 18 HB THR 18 -6.132 11.476 9.698
115 HG1 THR 18 HG1 THR 18 -5.936 13.602 8.897
116 HG21 THR 18 HG21 THR 18 -5.741 12.805 12.310
117 HG22 THR 18 HG22 THR 18 -6.009 11.060 12.100
118 HG23 THR 18 HG23 THR 18 -7.304 12.226 11.729
119 H ARG 19 HN ARG 19 -4.053 14.127 9.583
120 HA ARG 19 HA ARG 19 -2.173 15.060 11.705
121 HB2 ARG 19 HB2 ARG 19 -1.091 16.599 10.210
122 HB3 ARG 19 HB1 ARG 19 -1.213 15.079 9.344
123 HG2 ARG 19 HG2 ARG 19 -3.360 16.089 8.330
124 HG3 ARG 19 HG1 ARG 19 -2.725 17.625 8.909
125 HD2 ARG 19 HD2 ARG 19 -0.625 17.170 7.662
126 HD3 ARG 19 HD1 ARG 19 -1.368 15.715 7.008
127 HE ARG 19 HE ARG 19 -1.640 18.335 6.058
128 HH11 ARG 19 HH11 ARG 19 -3.865 15.604 6.675
129 HH12 ARG 19 HH12 ARG 19 -4.873 15.891 5.411
130 HH21 ARG 19 HH21 ARG 19 -3.052 18.714 4.140
131 HH22 ARG 19 HH22 ARG 19 -4.373 17.662 3.888
132 H GLU 20 HN GLU 20 -5.096 15.398 10.176
133 HA GLU 20 HA GLU 20 -5.799 17.986 11.041
134 HB2 GLU 20 HB2 GLU 20 -7.402 15.596 10.141
135 HB3 GLU 20 HB1 GLU 20 -8.099 17.200 10.384
136 HG2 GLU 20 HG2 GLU 20 -7.827 17.202 8.099
137 HG3 GLU 20 HG1 GLU 20 -6.274 17.860 8.581
138 H SER 21 HN SER 21 -7.170 18.426 12.877
139 HA SER 21 HA SER 21 -6.626 16.533 14.931
140 HB2 SER 21 HB2 SER 21 -8.141 19.065 15.258
141 HB3 SER 21 HB1 SER 21 -7.372 17.932 16.417
142 HG SER 21 HG SER 21 -5.520 18.598 14.677
143 H ASN 22 HN ASN 22 -7.661 15.054 14.598
144 HA ASN 22 HA ASN 22 -10.619 14.964 14.767
145 HB2 ASN 22 HB2 ASN 22 -9.553 13.940 12.682
146 HB3 ASN 22 HB1 ASN 22 -8.819 12.748 13.745
147 HD21 ASN 22 HD21 ASN 22 -10.691 12.383 11.545
148 HD22 ASN 22 HD22 ASN 22 -12.063 11.577 12.235
149 HA PRO 23 HA PRO 23 -8.959 13.462 18.709
150 HB2 PRO 23 HB2 PRO 23 -11.539 14.090 19.876
151 HB3 PRO 23 HB1 PRO 23 -9.976 14.853 20.200
152 HG2 PRO 23 HG2 PRO 23 -11.980 16.154 18.928
153 HG3 PRO 23 HG1 PRO 23 -10.259 16.500 18.674
154 HD2 PRO 23 HD2 PRO 23 -12.123 14.930 16.955
155 HD3 PRO 23 HD1 PRO 23 -10.819 16.053 16.504
156 H HIS 24 HN HIS 24 -9.377 11.648 19.915
157 HA HIS 24 HA HIS 24 -11.593 9.790 19.159
158 HB2 HIS 24 HB2 HIS 24 -8.622 9.213 19.043
159 HB3 HIS 24 HB1 HIS 24 -9.959 8.068 19.111
160 HD1 HIS 24 HD1 HIS 24 -9.305 11.018 16.640
161 HD2 HIS 24 HD2 HIS 24 -10.141 6.941 16.681
162 HE1 HIS 24 HE1 HIS 24 -9.469 10.313 14.265
163 H CYS 25 HN CYS 25 -12.429 9.336 20.688
164 HA CYS 25 HA CYS 25 -11.047 8.931 23.243
165 HB2 CYS 25 HB2 CYS 25 -13.269 10.177 23.237
166 HB3 CYS 25 HB1 CYS 25 -13.979 8.703 22.562
167 H GLY 26 HN GLY 26 -10.062 7.016 23.080
168 HA2 GLY 26 HA2 GLY 26 -11.021 5.088 21.202
169 HA3 GLY 26 HA1 GLY 26 -9.613 4.951 22.241
170 H SER 27 HN SER 27 -11.286 2.897 21.781
171 HA SER 27 HA SER 27 -13.121 2.583 23.791
172 HB2 SER 27 HB2 SER 27 -11.552 0.423 22.360
173 HB3 SER 27 HB1 SER 27 -12.911 0.079 23.430
174 HG SER 27 HG SER 27 -13.122 0.466 20.953
175 H ASP 28 HN ASP 28 -9.852 2.909 24.010
176 HA ASP 28 HA ASP 28 -9.189 1.398 26.384
177 HB2 ASP 28 HB2 ASP 28 -7.646 2.060 24.414
178 HB3 ASP 28 HB1 ASP 28 -7.704 3.675 25.107
179 H GLY 29 HN GLY 29 -10.945 4.049 25.636
180 HA2 GLY 29 HA2 GLY 29 -12.103 5.332 27.244
181 HA3 GLY 29 HA1 GLY 29 -10.837 4.886 28.406
182 H GLN 30 HN GLN 30 -8.793 5.362 26.593
183 HA GLN 30 HA GLN 30 -8.445 8.032 27.275
184 HB2 GLN 30 HB2 GLN 30 -6.655 6.221 25.772
185 HB3 GLN 30 HB1 GLN 30 -6.231 7.890 26.187
186 HG2 GLN 30 HG2 GLN 30 -6.833 7.509 28.357
187 HG3 GLN 30 HG1 GLN 30 -7.152 5.780 27.981
188 HE21 GLN 30 HE21 GLN 30 -5.270 4.440 27.498
189 HE22 GLN 30 HE22 GLN 30 -3.678 4.953 27.950
190 H THR 31 HN THR 31 -8.254 9.706 26.348
191 HA THR 31 HA THR 31 -9.279 9.921 23.578
192 HB THR 31 HB THR 31 -9.357 12.051 25.729
193 HG1 THR 31 HG1 THR 31 -10.955 10.115 25.620
194 HG21 THR 31 HG21 THR 31 -10.591 13.406 24.142
195 HG22 THR 31 HG22 THR 31 -10.545 12.157 22.928
196 HG23 THR 31 HG23 THR 31 -9.048 12.969 23.395
197 H TYR 32 HN TYR 32 -8.017 10.634 22.092
198 HA TYR 32 HA TYR 32 -5.779 12.295 22.879
199 HB2 TYR 32 HB2 TYR 32 -5.804 10.010 20.949
200 HB3 TYR 32 HB1 TYR 32 -4.570 11.265 20.866
201 HD1 TYR 32 HD2 TYR 32 -5.873 8.441 22.828
202 HD2 TYR 32 HD1 TYR 32 -2.887 11.460 22.601
203 HE1 TYR 32 HE2 TYR 32 -4.577 7.292 24.573
204 HE2 TYR 32 HE1 TYR 32 -1.591 10.322 24.343
205 HH TYR 32 HH TYR 32 -2.380 7.153 25.451
206 H GLY 33 HN GLY 33 -5.171 13.810 21.548
207 HA2 GLY 33 HA2 GLY 33 -7.146 15.466 20.473
208 HA3 GLY 33 HA1 GLY 33 -5.432 15.700 20.221
209 H ASN 34 HN ASN 34 -4.968 13.324 18.639
210 HA ASN 34 HA ASN 34 -6.866 13.484 16.518
211 HB2 ASN 34 HB2 ASN 34 -5.211 13.885 14.719
212 HB3 ASN 34 HB1 ASN 34 -5.250 15.238 15.828
213 HD21 ASN 34 HD21 ASN 34 -3.234 15.919 15.121
214 HD22 ASN 34 HD22 ASN 34 -1.779 15.110 15.564
215 H LYS 35 HN LYS 35 -6.038 11.807 14.750
216 HA LYS 35 HA LYS 35 -6.051 9.406 16.243
217 HB2 LYS 35 HB2 LYS 35 -7.012 9.736 13.896
218 HB3 LYS 35 HB1 LYS 35 -5.289 9.585 13.450
219 HG2 LYS 35 HG2 LYS 35 -5.188 7.350 14.392
220 HG3 LYS 35 HG1 LYS 35 -6.860 7.464 14.924
221 HD2 LYS 35 HD2 LYS 35 -7.600 7.530 12.608
222 HD3 LYS 35 HD1 LYS 35 -5.920 7.476 12.057
223 HE2 LYS 35 HE2 LYS 35 -5.699 5.308 13.350
224 HE3 LYS 35 HE1 LYS 35 -7.450 5.343 13.540
225 HZ1 LYS 35 HZ1 LYS 35 -6.023 5.414 10.972
226 HZ2 LYS 35 HZ2 LYS 35 -7.706 5.218 11.155
227 HZ3 LYS 35 HZ3 LYS 35 -6.618 4.002 11.652
228 H CYS 36 HN CYS 36 -3.711 11.005 14.759
229 HA CYS 36 HA CYS 36 -1.580 9.133 14.769
230 HB2 CYS 36 HB2 CYS 36 -1.771 11.736 13.971
231 HB3 CYS 36 HB1 CYS 36 -0.745 11.856 15.396
232 H ALA 37 HN ALA 37 -2.657 11.328 16.971
233 HA ALA 37 HA ALA 37 -0.837 10.891 19.165
234 HB1 ALA 37 HB1 ALA 37 -2.138 12.925 19.012
235 HB2 ALA 37 HB2 ALA 37 -2.708 12.070 20.472
236 HB3 ALA 37 HB3 ALA 37 -3.579 11.939 18.927
237 H PHE 38 HN PHE 38 -3.841 9.604 18.118
238 HA PHE 38 HA PHE 38 -4.171 7.850 20.381
239 HB2 PHE 38 HB2 PHE 38 -6.136 8.897 19.302
240 HB3 PHE 38 HB1 PHE 38 -5.742 8.075 17.809
241 HD1 PHE 38 HD2 PHE 38 -6.042 6.915 21.350
242 HD2 PHE 38 HD1 PHE 38 -7.335 6.523 17.318
243 HE1 PHE 38 HE2 PHE 38 -7.464 5.025 21.995
244 HE2 PHE 38 HE1 PHE 38 -8.769 4.632 17.956
245 HZ PHE 38 HZ PHE 38 -8.836 3.880 20.294
246 H CYS 39 HN CYS 39 -2.305 7.573 17.522
247 HA CYS 39 HA CYS 39 -2.735 4.859 16.841
248 HB2 CYS 39 HB2 CYS 39 -0.499 6.758 16.396
249 HB3 CYS 39 HB1 CYS 39 -0.299 5.057 15.943
250 H LYS 40 HN LYS 40 -0.312 6.144 19.067
251 HA LYS 40 HA LYS 40 0.842 3.710 19.548
252 HB2 LYS 40 HB2 LYS 40 1.556 4.851 21.590
253 HB3 LYS 40 HB1 LYS 40 2.068 5.548 19.986
254 HG2 LYS 40 HG2 LYS 40 -0.199 6.538 21.583
255 HG3 LYS 40 HG1 LYS 40 1.429 7.090 22.047
256 HD2 LYS 40 HD2 LYS 40 -0.265 7.595 19.613
257 HD3 LYS 40 HD1 LYS 40 0.316 8.721 20.767
258 HE2 LYS 40 HE2 LYS 40 1.691 9.167 18.877
259 HE3 LYS 40 HE1 LYS 40 2.704 8.299 20.014
260 HZ1 LYS 40 HZ1 LYS 40 1.445 7.054 17.573
261 HZ2 LYS 40 HZ2 LYS 40 2.533 6.286 18.579
262 HZ3 LYS 40 HZ3 LYS 40 3.009 7.580 17.698
263 H ALA 41 HN ALA 41 -1.484 5.424 20.745
264 HA ALA 41 HA ALA 41 -2.248 4.108 23.178
265 HB1 ALA 41 HB1 ALA 41 -3.036 6.269 22.576
266 HB2 ALA 41 HB2 ALA 41 -4.431 5.123 22.747
267 HB3 ALA 41 HB3 ALA 41 -3.692 5.476 21.139
268 H ILE 42 HN ILE 42 -2.949 3.522 19.778
269 HA ILE 42 HA ILE 42 -4.855 1.310 20.277
270 HB ILE 42 HB ILE 42 -3.322 2.498 17.981
271 HG12 ILE 42 HG12 ILE 42 -6.253 2.383 18.415
272 HG13 ILE 42 HG11 ILE 42 -5.071 3.528 19.131
273 HG21 ILE 42 HG21 ILE 42 -5.033 0.070 18.021
274 HG22 ILE 42 HG22 ILE 42 -3.381 0.365 17.429
275 HG23 ILE 42 HG23 ILE 42 -4.765 1.046 16.549
276 HD11 ILE 42 HD11 ILE 42 -4.395 4.289 17.297
277 HD12 ILE 42 HD12 ILE 42 -6.161 4.331 16.998
278 HD13 ILE 42 HD13 ILE 42 -5.111 3.114 16.188
279 H VAL 43 HN VAL 43 -1.769 1.855 19.354
280 HA VAL 43 HA VAL 43 -0.656 -0.649 18.884
281 HB VAL 43 HB VAL 43 0.620 1.819 19.984
282 HG11 VAL 43 HG11 VAL 43 2.764 1.034 19.225
283 HG12 VAL 43 HG12 VAL 43 2.054 -0.390 18.507
284 HG13 VAL 43 HG13 VAL 43 2.091 -0.223 20.271
285 HG21 VAL 43 HG21 VAL 43 0.296 0.840 17.147
286 HG22 VAL 43 HG22 VAL 43 1.113 2.326 17.684
287 HG23 VAL 43 HG23 VAL 43 -0.598 2.095 18.034
288 H LYS 44 HN LYS 44 -1.018 1.060 21.894
289 HA LYS 44 HA LYS 44 0.572 -0.448 23.590
290 HB2 LYS 44 HB2 LYS 44 -0.621 0.543 25.400
291 HB3 LYS 44 HB1 LYS 44 -0.583 1.613 23.963
292 HG2 LYS 44 HG2 LYS 44 -2.809 1.349 23.489
293 HG3 LYS 44 HG1 LYS 44 -2.963 -0.076 24.508
294 HD2 LYS 44 HD2 LYS 44 -2.280 2.589 25.702
295 HD3 LYS 44 HD1 LYS 44 -3.953 2.173 25.326
296 HE2 LYS 44 HE2 LYS 44 -2.125 0.518 27.069
297 HE3 LYS 44 HE1 LYS 44 -3.307 1.676 27.676
298 HZ1 LYS 44 HZ1 LYS 44 -3.986 -0.774 26.067
299 HZ2 LYS 44 HZ2 LYS 44 -5.043 0.419 26.589
300 HZ3 LYS 44 HZ3 LYS 44 -4.288 -0.522 27.720
301 H SER 45 HN SER 45 -2.457 -1.176 22.321
302 HA SER 45 HA SER 45 -2.220 -3.780 23.589
303 HB2 SER 45 HB2 SER 45 -4.870 -2.340 23.486
304 HB3 SER 45 HB1 SER 45 -4.561 -3.926 24.186
305 HG SER 45 HG SER 45 -2.795 -2.589 25.290
306 H GLY 46 HN GLY 46 -1.268 -3.643 21.216
307 HA2 GLY 46 HA2 GLY 46 -1.194 -5.071 19.618
308 HA3 GLY 46 HA1 GLY 46 -2.832 -5.646 20.087
309 H GLY 47 HN GLY 47 -3.051 -2.478 19.529
310 HA2 GLY 47 HA2 GLY 47 -3.726 -1.309 17.811
311 HA3 GLY 47 HA1 GLY 47 -3.254 -2.580 16.691
312 H LYS 48 HN LYS 48 -5.035 -3.940 19.017
313 HA LYS 48 HA LYS 48 -7.296 -4.290 17.399
314 HB2 LYS 48 HB2 LYS 48 -6.635 -5.105 20.129
315 HB3 LYS 48 HB1 LYS 48 -7.916 -5.860 19.157
316 HG2 LYS 48 HG2 LYS 48 -4.908 -5.960 18.649
317 HG3 LYS 48 HG1 LYS 48 -5.967 -7.331 19.004
318 HD2 LYS 48 HD2 LYS 48 -7.136 -6.985 16.841
319 HD3 LYS 48 HD1 LYS 48 -6.136 -5.526 16.674
320 HE2 LYS 48 HE2 LYS 48 -4.605 -8.014 16.958
321 HE3 LYS 48 HE1 LYS 48 -5.523 -7.865 15.461
322 HZ1 LYS 48 HZ1 LYS 48 -3.566 -5.835 16.474
323 HZ2 LYS 48 HZ2 LYS 48 -4.484 -5.735 15.068
324 HZ3 LYS 48 HZ3 LYS 48 -3.291 -6.909 15.197
325 H ILE 49 HN ILE 49 -6.556 -2.057 19.854
326 HA ILE 49 HA ILE 49 -9.123 -1.618 20.887
327 HB ILE 49 HB ILE 49 -6.899 0.391 20.459
328 HG12 ILE 49 HG12 ILE 49 -7.549 -1.235 22.910
329 HG13 ILE 49 HG11 ILE 49 -6.332 -1.697 21.727
330 HG21 ILE 49 HG21 ILE 49 -7.915 1.670 22.290
331 HG22 ILE 49 HG22 ILE 49 -9.196 0.475 22.438
332 HG23 ILE 49 HG23 ILE 49 -9.097 1.473 20.994
333 HD11 ILE 49 HD11 ILE 49 -5.070 0.169 22.169
334 HD12 ILE 49 HD12 ILE 49 -5.467 -0.537 23.758
335 HD13 ILE 49 HD13 ILE 49 -6.306 0.907 23.174
336 H SER 50 HN SER 50 -10.627 -0.012 20.383
337 HA SER 50 HA SER 50 -10.746 0.831 17.584
338 HB2 SER 50 HB2 SER 50 -13.209 0.353 17.820
339 HB3 SER 50 HB1 SER 50 -12.168 -1.081 17.753
340 HG SER 50 HG SER 50 -12.917 -1.616 19.588
341 H LEU 51 HN LEU 51 -12.701 2.696 17.483
342 HA LEU 51 HA LEU 51 -12.115 4.368 19.484
343 HB2 LEU 51 HB2 LEU 51 -12.042 4.754 17.142
344 HB3 LEU 51 HB1 LEU 51 -13.778 4.467 17.086
345 HG LEU 51 HG LEU 51 -14.068 6.129 18.780
346 HD11 LEU 51 HD11 LEU 51 -11.997 7.689 18.895
347 HD12 LEU 51 HD12 LEU 51 -11.195 6.108 18.429
348 HD13 LEU 51 HD13 LEU 51 -12.186 6.215 19.859
349 HD21 LEU 51 HD21 LEU 51 -14.287 6.343 16.494
350 HD22 LEU 51 HD22 LEU 51 -12.627 7.043 16.403
351 HD23 LEU 51 HD23 LEU 51 -13.954 7.841 17.401
352 H LYS 52 HN LYS 52 -13.542 5.107 20.933
353 HA LYS 52 HA LYS 52 -16.319 4.189 20.958
354 HB2 LYS 52 HB2 LYS 52 -15.048 6.226 22.718
355 HB3 LYS 52 HB1 LYS 52 -16.574 5.387 22.997
356 HG2 LYS 52 HG2 LYS 52 -14.202 3.970 22.495
357 HG3 LYS 52 HG1 LYS 52 -14.305 4.713 24.087
358 HD2 LYS 52 HD2 LYS 52 -15.153 2.300 24.219
359 HD3 LYS 52 HD1 LYS 52 -16.407 3.461 24.592
360 HE2 LYS 52 HE2 LYS 52 -17.228 1.604 23.206
361 HE3 LYS 52 HE1 LYS 52 -17.392 3.141 22.378
362 HZ1 LYS 52 HZ1 LYS 52 -16.558 1.249 20.994
363 HZ2 LYS 52 HZ2 LYS 52 -15.090 1.303 21.862
364 HZ3 LYS 52 HZ3 LYS 52 -15.582 2.598 20.953
365 H HIS 53 HN HIS 53 -14.561 6.971 20.670
366 HA HIS 53 HA HIS 53 -16.901 8.244 19.368
367 HB2 HIS 53 HB2 HIS 53 -17.321 8.506 21.777
368 HB3 HIS 53 HB1 HIS 53 -15.808 9.370 21.955
369 HD1 HIS 53 HD1 HIS 53 -16.269 11.837 22.244
370 HD2 HIS 53 HD2 HIS 53 -18.996 9.998 19.692
371 HE1 HIS 53 HE1 HIS 53 -17.861 13.627 21.507
372 HA PRO 54 HA PRO 54 -13.615 10.730 17.517
373 HB2 PRO 54 HB2 PRO 54 -15.745 12.030 15.996
374 HB3 PRO 54 HB1 PRO 54 -14.470 10.966 15.372
375 HG2 PRO 54 HG2 PRO 54 -17.073 10.259 15.389
376 HG3 PRO 54 HG1 PRO 54 -15.739 9.096 15.511
377 HD2 PRO 54 HD2 PRO 54 -17.490 10.167 17.677
378 HD3 PRO 54 HD1 PRO 54 -16.857 8.523 17.416
379 H GLY 55 HN GLY 55 -13.073 12.206 18.889
380 HA2 GLY 55 HA2 GLY 55 -13.440 14.566 19.669
381 HA3 GLY 55 HA1 GLY 55 -15.100 14.059 19.955
382 H LYS 56 HN LYS 56 -13.433 15.086 22.018
383 HA LYS 56 HA LYS 56 -12.311 13.258 23.647
384 HB2 LYS 56 HB2 LYS 56 -13.897 15.673 24.152
385 HB3 LYS 56 HB1 LYS 56 -13.196 14.741 25.467
386 HG2 LYS 56 HG2 LYS 56 -11.003 15.165 24.371
387 HG3 LYS 56 HG1 LYS 56 -11.897 16.261 23.283
388 HD2 LYS 56 HD2 LYS 56 -10.972 17.603 25.087
389 HD3 LYS 56 HD1 LYS 56 -12.704 17.469 25.344
390 HE2 LYS 56 HE2 LYS 56 -10.607 15.793 26.793
391 HE3 LYS 56 HE1 LYS 56 -11.326 17.247 27.450
392 HZ1 LYS 56 HZ1 LYS 56 -12.478 15.404 28.450
393 HZ2 LYS 56 HZ2 LYS 56 -12.603 14.546 27.115
394 HZ3 LYS 56 HZ3 LYS 56 -13.585 15.864 27.299
395 H CYS 57 HN CYS 57 -12.917 12.357 25.417
396 HA CYS 57 HA CYS 57 -15.728 12.308 26.135
397 HB2 CYS 57 HB2 CYS 57 -13.431 10.436 26.891
398 HB3 CYS 57 HB1 CYS 57 -14.993 10.415 27.702
Start of MODEL 17
1 H GLN 1 HT1 GLN 1 3.957 3.495 3.384
2 HA GLN 1 HA GLN 1 5.752 3.229 5.638
3 HB2 GLN 1 HB2 GLN 1 4.932 1.161 3.547
4 HB3 GLN 1 HB1 GLN 1 6.279 0.974 4.655
5 HG2 GLN 1 HG2 GLN 1 4.613 -0.308 5.641
6 HG3 GLN 1 HG1 GLN 1 4.502 1.214 6.514
7 HE21 GLN 1 HE21 GLN 1 2.512 -0.782 6.308
8 HE22 GLN 1 HE22 GLN 1 1.148 -0.088 5.532
9 H GLY 2 HN GLY 2 7.678 4.047 5.096
10 HA2 GLY 2 HA2 GLY 2 9.344 4.942 3.713
11 HA3 GLY 2 HA1 GLY 2 8.539 4.198 2.324
12 H GLY 3 HN GLY 3 6.758 5.966 4.528
13 HA2 GLY 3 HA2 GLY 3 6.621 8.541 3.809
14 HA3 GLY 3 HA1 GLY 3 5.624 7.700 2.599
15 H GLN 4 HN GLN 4 4.400 9.364 4.550
16 HA GLN 4 HA GLN 4 3.729 7.652 6.727
17 HB2 GLN 4 HB2 GLN 4 2.651 9.511 7.729
18 HB3 GLN 4 HB1 GLN 4 4.048 10.147 6.888
19 HG2 GLN 4 HG2 GLN 4 2.431 11.729 6.419
20 HG3 GLN 4 HG1 GLN 4 2.382 10.706 4.987
21 HE21 GLN 4 HE21 GLN 4 0.960 9.830 8.125
22 HE22 GLN 4 HE22 GLN 4 -0.660 9.887 7.568
23 H VAL 5 HN VAL 5 1.818 6.707 7.191
24 HA VAL 5 HA VAL 5 -0.418 6.946 5.417
25 HB VAL 5 HB VAL 5 0.972 4.919 4.712
26 HG11 VAL 5 HG11 VAL 5 0.360 3.957 7.494
27 HG12 VAL 5 HG12 VAL 5 1.938 4.323 6.800
28 HG13 VAL 5 HG13 VAL 5 1.013 2.940 6.197
29 HG21 VAL 5 HG21 VAL 5 -1.736 4.311 5.901
30 HG22 VAL 5 HG22 VAL 5 -0.903 3.306 4.716
31 HG23 VAL 5 HG23 VAL 5 -1.422 4.934 4.283
32 H ASP 6 HN ASP 6 -2.334 6.403 6.807
33 HA ASP 6 HA ASP 6 -1.463 6.808 9.496
34 HB2 ASP 6 HB2 ASP 6 -3.677 7.406 10.090
35 HB3 ASP 6 HB1 ASP 6 -3.157 8.330 8.685
36 H CYS 7 HN CYS 7 -0.910 5.209 10.613
37 HA CYS 7 HA CYS 7 -0.620 3.266 11.247
38 HB2 CYS 7 HB2 CYS 7 -2.531 2.319 12.644
39 HB3 CYS 7 HB1 CYS 7 -1.771 3.912 12.879
40 H GLY 8 HN GLY 8 -2.608 2.795 8.673
41 HA2 GLY 8 HA2 GLY 8 -2.457 1.115 7.125
42 HA3 GLY 8 HA1 GLY 8 -0.790 1.000 7.638
43 H GLU 9 HN GLU 9 -0.196 -0.574 9.202
44 HA GLU 9 HA GLU 9 -1.590 -2.988 8.859
45 HB2 GLU 9 HB2 GLU 9 0.674 -2.045 10.415
46 HB3 GLU 9 HB1 GLU 9 0.251 -3.791 10.470
47 HG2 GLU 9 HG2 GLU 9 1.901 -3.814 8.862
48 HG3 GLU 9 HG1 GLU 9 0.589 -3.301 7.808
49 H PHE 10 HN PHE 10 -1.348 -0.586 11.434
50 HA PHE 10 HA PHE 10 -2.845 0.029 12.888
51 HB2 PHE 10 HB2 PHE 10 -4.207 -0.652 10.985
52 HB3 PHE 10 HB1 PHE 10 -4.413 -2.207 11.763
53 HD1 PHE 10 HD1 PHE 10 -5.120 1.421 12.250
54 HD2 PHE 10 HD2 PHE 10 -6.331 -2.573 13.067
55 HE1 PHE 10 HE1 PHE 10 -7.232 2.260 13.190
56 HE2 PHE 10 HE2 PHE 10 -8.439 -1.745 14.022
57 HZ PHE 10 HZ PHE 10 -8.896 0.677 14.077
58 H GLN 11 HN GLN 11 -1.507 -2.861 12.982
59 HA GLN 11 HA GLN 11 -1.919 -3.040 15.870
60 HB2 GLN 11 HB2 GLN 11 -1.175 -4.955 13.857
61 HB3 GLN 11 HB1 GLN 11 -1.453 -5.465 15.556
62 HG2 GLN 11 HG2 GLN 11 -3.804 -4.569 15.167
63 HG3 GLN 11 HG1 GLN 11 -3.234 -4.390 13.492
64 HE21 GLN 11 HE21 GLN 11 -5.402 -6.129 14.781
65 HE22 GLN 11 HE22 GLN 11 -5.040 -7.720 14.208
66 H ASP 12 HN ASP 12 0.011 -2.186 13.588
67 HA ASP 12 HA ASP 12 2.494 -3.622 14.082
68 HB2 ASP 12 HB2 ASP 12 1.458 -2.849 11.937
69 HB3 ASP 12 HB1 ASP 12 2.042 -1.240 12.332
70 H THR 13 HN THR 13 4.025 -1.637 13.530
71 HA THR 13 HA THR 13 4.235 -0.023 16.002
72 HB THR 13 HB THR 13 5.336 -2.200 16.298
73 HG1 THR 13 HG1 THR 13 6.819 0.225 16.502
74 HG21 THR 13 HG21 THR 13 7.354 -1.138 14.314
75 HG22 THR 13 HG22 THR 13 6.326 -2.557 14.117
76 HG23 THR 13 HG23 THR 13 7.607 -2.560 15.328
77 H LYS 14 HN LYS 14 5.170 -0.485 12.684
78 HA LYS 14 HA LYS 14 6.878 1.859 12.547
79 HB2 LYS 14 HB2 LYS 14 7.283 1.175 10.317
80 HB3 LYS 14 HB1 LYS 14 6.849 -0.308 11.183
81 HG2 LYS 14 HG2 LYS 14 4.626 -0.285 10.281
82 HG3 LYS 14 HG1 LYS 14 4.923 1.260 9.486
83 HD2 LYS 14 HD2 LYS 14 5.146 -0.375 7.800
84 HD3 LYS 14 HD1 LYS 14 6.795 0.081 8.226
85 HE2 LYS 14 HE2 LYS 14 6.627 -2.324 7.974
86 HE3 LYS 14 HE1 LYS 14 6.929 -1.929 9.666
87 HZ1 LYS 14 HZ1 LYS 14 4.662 -2.296 10.186
88 HZ2 LYS 14 HZ2 LYS 14 5.103 -3.637 9.324
89 HZ3 LYS 14 HZ3 LYS 14 4.213 -2.393 8.586
90 H VAL 15 HN VAL 15 3.955 1.662 13.213
91 HA VAL 15 HA VAL 15 2.249 2.896 11.511
92 HB VAL 15 HB VAL 15 2.316 2.493 14.467
93 HG11 VAL 15 HG11 VAL 15 0.163 3.874 12.886
94 HG12 VAL 15 HG12 VAL 15 1.041 4.507 14.277
95 HG13 VAL 15 HG13 VAL 15 -0.097 3.174 14.483
96 HG21 VAL 15 HG21 VAL 15 0.449 0.934 13.880
97 HG22 VAL 15 HG22 VAL 15 1.986 0.539 13.143
98 HG23 VAL 15 HG23 VAL 15 0.734 1.324 12.188
99 H TYR 16 HN TYR 16 2.192 4.695 10.798
100 HA TYR 16 HA TYR 16 3.257 7.065 12.122
101 HB2 TYR 16 HB2 TYR 16 1.928 6.960 9.405
102 HB3 TYR 16 HB1 TYR 16 3.028 8.180 10.015
103 HD1 TYR 16 HD1 TYR 16 2.735 4.850 8.553
104 HD2 TYR 16 HD2 TYR 16 5.453 7.855 9.820
105 HE1 TYR 16 HE1 TYR 16 4.525 3.723 7.313
106 HE2 TYR 16 HE2 TYR 16 7.272 6.731 8.586
107 HH TYR 16 HH TYR 16 7.766 4.467 7.774
108 H CYS 17 HN CYS 17 1.798 8.717 12.596
109 HA CYS 17 HA CYS 17 -0.968 7.789 12.968
110 HB2 CYS 17 HB2 CYS 17 -1.184 9.502 14.658
111 HB3 CYS 17 HB1 CYS 17 0.455 8.926 14.797
112 H THR 18 HN THR 18 -2.507 9.815 12.837
113 HA THR 18 HA THR 18 -2.995 9.627 10.088
114 HB THR 18 HB THR 18 -5.028 10.795 10.550
115 HG1 THR 18 HG1 THR 18 -5.026 12.003 12.337
116 HG21 THR 18 HG21 THR 18 -4.386 8.439 12.274
117 HG22 THR 18 HG22 THR 18 -5.057 8.497 10.609
118 HG23 THR 18 HG23 THR 18 -5.998 9.090 11.939
119 H ARG 19 HN ARG 19 -3.970 11.122 9.003
120 HA ARG 19 HA ARG 19 -2.783 13.773 8.606
121 HB2 ARG 19 HB2 ARG 19 -4.167 13.432 6.425
122 HB3 ARG 19 HB1 ARG 19 -2.787 12.348 6.648
123 HG2 ARG 19 HG2 ARG 19 -4.230 10.598 7.498
124 HG3 ARG 19 HG1 ARG 19 -5.616 11.680 7.431
125 HD2 ARG 19 HD2 ARG 19 -5.631 11.497 5.051
126 HD3 ARG 19 HD1 ARG 19 -4.062 10.659 5.057
127 HE ARG 19 HE ARG 19 -5.067 8.731 5.818
128 HH11 ARG 19 HH11 ARG 19 -7.629 11.230 5.717
129 HH12 ARG 19 HH12 ARG 19 -8.737 10.205 6.541
130 HH21 ARG 19 HH21 ARG 19 -6.610 7.464 6.870
131 HH22 ARG 19 HH22 ARG 19 -8.196 8.070 7.174
132 H GLU 20 HN GLU 20 -5.160 12.349 10.335
133 HA GLU 20 HA GLU 20 -7.415 14.091 9.689
134 HB2 GLU 20 HB2 GLU 20 -7.139 11.595 11.309
135 HB3 GLU 20 HB1 GLU 20 -8.687 12.380 10.935
136 HG2 GLU 20 HG2 GLU 20 -8.297 11.890 8.555
137 HG3 GLU 20 HG1 GLU 20 -6.754 11.156 8.975
138 H SER 21 HN SER 21 -8.208 15.424 11.261
139 HA SER 21 HA SER 21 -6.623 15.898 13.705
140 HB2 SER 21 HB2 SER 21 -8.685 17.373 12.257
141 HB3 SER 21 HB1 SER 21 -7.688 18.085 13.554
142 HG SER 21 HG SER 21 -6.196 18.474 12.058
143 H ASN 22 HN ASN 22 -8.868 14.153 12.963
144 HA ASN 22 HA ASN 22 -11.355 14.723 14.200
145 HB2 ASN 22 HB2 ASN 22 -10.158 11.977 13.732
146 HB3 ASN 22 HB1 ASN 22 -11.852 12.323 14.029
147 HD21 ASN 22 HD21 ASN 22 -12.411 11.315 12.085
148 HD22 ASN 22 HD22 ASN 22 -12.120 12.064 10.556
149 HA PRO 23 HA PRO 23 -9.828 14.083 18.449
150 HB2 PRO 23 HB2 PRO 23 -11.959 15.146 19.736
151 HB3 PRO 23 HB1 PRO 23 -10.744 16.169 18.947
152 HG2 PRO 23 HG2 PRO 23 -13.442 15.407 17.972
153 HG3 PRO 23 HG1 PRO 23 -12.591 16.959 17.850
154 HD2 PRO 23 HD2 PRO 23 -12.754 15.164 15.797
155 HD3 PRO 23 HD1 PRO 23 -11.439 16.340 15.983
156 H HIS 24 HN HIS 24 -10.353 12.584 20.176
157 HA HIS 24 HA HIS 24 -12.656 10.718 19.949
158 HB2 HIS 24 HB2 HIS 24 -9.806 9.912 19.437
159 HB3 HIS 24 HB1 HIS 24 -11.192 8.869 19.735
160 HD1 HIS 24 HD1 HIS 24 -13.175 9.309 17.681
161 HD2 HIS 24 HD2 HIS 24 -9.195 10.106 16.857
162 HE1 HIS 24 HE1 HIS 24 -12.955 9.245 15.174
163 H CYS 25 HN CYS 25 -13.223 10.360 21.623
164 HA CYS 25 HA CYS 25 -11.446 10.233 23.927
165 HB2 CYS 25 HB2 CYS 25 -13.655 11.359 24.233
166 HB3 CYS 25 HB1 CYS 25 -14.441 9.882 23.669
167 H GLY 26 HN GLY 26 -10.341 8.334 23.788
168 HA2 GLY 26 HA2 GLY 26 -11.531 6.264 22.162
169 HA3 GLY 26 HA1 GLY 26 -9.895 6.323 22.792
170 H SER 27 HN SER 27 -11.425 3.990 22.852
171 HA SER 27 HA SER 27 -12.445 3.892 25.379
172 HB2 SER 27 HB2 SER 27 -13.250 2.319 23.674
173 HB3 SER 27 HB1 SER 27 -11.672 1.549 23.586
174 HG SER 27 HG SER 27 -12.004 1.013 25.859
175 H ASP 28 HN ASP 28 -9.459 4.382 24.370
176 HA ASP 28 HA ASP 28 -7.513 2.973 25.924
177 HB2 ASP 28 HB2 ASP 28 -7.110 4.348 23.849
178 HB3 ASP 28 HB1 ASP 28 -7.689 5.751 24.719
179 H GLY 29 HN GLY 29 -9.935 5.112 26.414
180 HA2 GLY 29 HA2 GLY 29 -10.740 5.578 28.629
181 HA3 GLY 29 HA1 GLY 29 -9.042 5.546 29.152
182 H GLN 30 HN GLN 30 -8.074 6.818 26.936
183 HA GLN 30 HA GLN 30 -8.491 9.399 28.025
184 HB2 GLN 30 HB2 GLN 30 -6.339 8.436 26.240
185 HB3 GLN 30 HB1 GLN 30 -6.440 10.060 26.932
186 HG2 GLN 30 HG2 GLN 30 -6.642 9.235 28.972
187 HG3 GLN 30 HG1 GLN 30 -6.549 7.536 28.355
188 HE21 GLN 30 HE21 GLN 30 -4.572 6.969 29.394
189 HE22 GLN 30 HE22 GLN 30 -3.053 7.730 29.042
190 H THR 31 HN THR 31 -8.433 11.175 26.926
191 HA THR 31 HA THR 31 -9.795 11.054 24.318
192 HB THR 31 HB THR 31 -9.375 13.520 26.023
193 HG1 THR 31 HG1 THR 31 -11.189 12.893 26.987
194 HG21 THR 31 HG21 THR 31 -10.972 13.170 23.431
195 HG22 THR 31 HG22 THR 31 -9.410 13.922 23.553
196 HG23 THR 31 HG23 THR 31 -10.798 14.657 24.357
197 H TYR 32 HN TYR 32 -8.741 11.361 22.614
198 HA TYR 32 HA TYR 32 -6.170 12.640 22.855
199 HB2 TYR 32 HB2 TYR 32 -7.117 10.493 21.003
200 HB3 TYR 32 HB1 TYR 32 -5.597 11.364 20.791
201 HD1 TYR 32 HD1 TYR 32 -3.860 11.259 22.580
202 HD2 TYR 32 HD2 TYR 32 -7.286 8.746 22.607
203 HE1 TYR 32 HE1 TYR 32 -2.761 9.801 24.200
204 HE2 TYR 32 HE2 TYR 32 -6.187 7.279 24.228
205 HH TYR 32 HH TYR 32 -4.448 7.011 25.592
206 H GLY 33 HN GLY 33 -5.608 14.018 21.422
207 HA2 GLY 33 HA2 GLY 33 -7.528 15.892 20.600
208 HA3 GLY 33 HA1 GLY 33 -5.840 15.912 20.114
209 H ASN 34 HN ASN 34 -5.926 13.309 18.801
210 HA ASN 34 HA ASN 34 -7.983 13.487 16.889
211 HB2 ASN 34 HB2 ASN 34 -6.665 13.905 14.901
212 HB3 ASN 34 HB1 ASN 34 -6.484 15.226 16.020
213 HD21 ASN 34 HD21 ASN 34 -4.740 14.539 13.879
214 HD22 ASN 34 HD22 ASN 34 -3.181 14.270 14.578
215 H LYS 35 HN LYS 35 -7.515 11.937 15.098
216 HA LYS 35 HA LYS 35 -7.467 9.325 16.099
217 HB2 LYS 35 HB2 LYS 35 -8.390 10.490 13.936
218 HB3 LYS 35 HB1 LYS 35 -6.800 10.083 13.339
219 HG2 LYS 35 HG2 LYS 35 -8.931 8.084 14.229
220 HG3 LYS 35 HG1 LYS 35 -8.651 8.549 12.566
221 HD2 LYS 35 HD2 LYS 35 -6.189 7.619 13.150
222 HD3 LYS 35 HD1 LYS 35 -7.120 6.738 14.347
223 HE2 LYS 35 HE2 LYS 35 -6.975 5.369 12.369
224 HE3 LYS 35 HE1 LYS 35 -8.636 5.918 12.566
225 HZ1 LYS 35 HZ1 LYS 35 -7.977 7.770 10.864
226 HZ2 LYS 35 HZ2 LYS 35 -8.198 6.226 10.299
227 HZ3 LYS 35 HZ3 LYS 35 -6.667 6.781 10.462
228 H CYS 36 HN CYS 36 -5.179 11.146 14.852
229 HA CYS 36 HA CYS 36 -2.998 9.460 14.453
230 HB2 CYS 36 HB2 CYS 36 -2.599 11.674 13.734
231 HB3 CYS 36 HB1 CYS 36 -3.261 12.312 15.226
232 H ALA 37 HN ALA 37 -3.971 11.072 17.153
233 HA ALA 37 HA ALA 37 -1.944 10.190 19.002
234 HB1 ALA 37 HB1 ALA 37 -2.906 12.379 19.242
235 HB2 ALA 37 HB2 ALA 37 -3.491 11.437 20.631
236 HB3 ALA 37 HB3 ALA 37 -4.501 11.671 19.193
237 H PHE 38 HN PHE 38 -5.222 9.463 18.260
238 HA PHE 38 HA PHE 38 -5.502 7.449 20.370
239 HB2 PHE 38 HB2 PHE 38 -7.420 8.780 20.106
240 HB3 PHE 38 HB1 PHE 38 -7.396 8.632 18.358
241 HD1 PHE 38 HD1 PHE 38 -7.656 6.412 21.362
242 HD2 PHE 38 HD2 PHE 38 -9.034 7.352 17.451
243 HE1 PHE 38 HE1 PHE 38 -9.315 4.607 21.507
244 HE2 PHE 38 HE2 PHE 38 -10.693 5.557 17.596
245 HZ PHE 38 HZ PHE 38 -10.829 4.179 19.625
246 H CYS 39 HN CYS 39 -4.589 7.143 17.004
247 HA CYS 39 HA CYS 39 -5.804 4.548 16.700
248 HB2 CYS 39 HB2 CYS 39 -5.070 6.138 14.815
249 HB3 CYS 39 HB1 CYS 39 -3.447 5.551 15.166
250 H LYS 40 HN LYS 40 -2.931 5.642 18.258
251 HA LYS 40 HA LYS 40 -1.420 3.431 17.663
252 HB2 LYS 40 HB2 LYS 40 -0.213 4.233 19.624
253 HB3 LYS 40 HB1 LYS 40 -0.330 5.357 18.179
254 HG2 LYS 40 HG2 LYS 40 -0.345 6.673 20.259
255 HG3 LYS 40 HG1 LYS 40 -1.999 6.624 19.663
256 HD2 LYS 40 HD2 LYS 40 -2.539 4.934 21.097
257 HD3 LYS 40 HD1 LYS 40 -0.916 4.748 21.789
258 HE2 LYS 40 HE2 LYS 40 -1.193 7.096 22.706
259 HE3 LYS 40 HE1 LYS 40 -2.839 7.097 22.079
260 HZ1 LYS 40 HZ1 LYS 40 -3.393 5.233 23.670
261 HZ2 LYS 40 HZ2 LYS 40 -2.844 6.564 24.426
262 HZ3 LYS 40 HZ3 LYS 40 -1.808 5.265 24.238
263 H ALA 41 HN ALA 41 -3.501 4.319 19.807
264 HA ALA 41 HA ALA 41 -3.179 2.512 22.013
265 HB1 ALA 41 HB1 ALA 41 -5.443 3.894 20.825
266 HB2 ALA 41 HB2 ALA 41 -4.517 4.398 22.262
267 HB3 ALA 41 HB3 ALA 41 -5.623 2.978 22.331
268 H ILE 42 HN ILE 42 -4.938 2.463 18.978
269 HA ILE 42 HA ILE 42 -6.416 0.106 19.572
270 HB ILE 42 HB ILE 42 -5.854 1.867 17.207
271 HG12 ILE 42 HG12 ILE 42 -8.367 1.397 18.727
272 HG13 ILE 42 HG11 ILE 42 -7.015 2.465 19.200
273 HG21 ILE 42 HG21 ILE 42 -7.562 0.607 16.032
274 HG22 ILE 42 HG22 ILE 42 -7.693 -0.498 17.423
275 HG23 ILE 42 HG23 ILE 42 -6.160 -0.364 16.511
276 HD11 ILE 42 HD11 ILE 42 -7.154 3.703 17.478
277 HD12 ILE 42 HD12 ILE 42 -8.876 3.583 17.935
278 HD13 ILE 42 HD13 ILE 42 -8.236 2.704 16.505
279 H VAL 43 HN VAL 43 -3.875 1.159 17.710
280 HA VAL 43 HA VAL 43 -2.971 -1.124 16.394
281 HB VAL 43 HB VAL 43 -1.318 1.083 17.496
282 HG11 VAL 43 HG11 VAL 43 -0.908 -0.429 14.897
283 HG12 VAL 43 HG12 VAL 43 -0.289 -1.011 16.406
284 HG13 VAL 43 HG13 VAL 43 0.289 0.552 15.782
285 HG21 VAL 43 HG21 VAL 43 -2.730 1.052 14.841
286 HG22 VAL 43 HG22 VAL 43 -1.705 2.351 15.560
287 HG23 VAL 43 HG23 VAL 43 -3.203 1.894 16.336
288 H LYS 44 HN LYS 44 -2.293 -0.031 19.620
289 HA LYS 44 HA LYS 44 -0.308 -2.057 19.949
290 HB2 LYS 44 HB2 LYS 44 -1.470 -0.006 21.597
291 HB3 LYS 44 HB1 LYS 44 -0.367 -1.166 22.356
292 HG2 LYS 44 HG2 LYS 44 0.302 0.697 20.042
293 HG3 LYS 44 HG1 LYS 44 0.805 0.942 21.708
294 HD2 LYS 44 HD2 LYS 44 2.711 -0.124 21.118
295 HD3 LYS 44 HD1 LYS 44 1.755 -1.594 21.172
296 HE2 LYS 44 HE2 LYS 44 2.033 0.048 18.645
297 HE3 LYS 44 HE1 LYS 44 3.219 -1.161 19.092
298 HZ1 LYS 44 HZ1 LYS 44 1.435 -2.859 18.953
299 HZ2 LYS 44 HZ2 LYS 44 1.653 -2.029 17.514
300 HZ3 LYS 44 HZ3 LYS 44 0.327 -1.687 18.445
301 H SER 45 HN SER 45 -3.482 -1.470 20.933
302 HA SER 45 HA SER 45 -3.634 -3.744 22.662
303 HB2 SER 45 HB2 SER 45 -5.109 -1.757 22.857
304 HB3 SER 45 HB1 SER 45 -5.934 -2.266 21.387
305 HG SER 45 HG SER 45 -6.550 -2.882 23.756
306 H GLY 46 HN GLY 46 -3.943 -3.340 19.180
307 HA2 GLY 46 HA2 GLY 46 -3.701 -5.120 17.902
308 HA3 GLY 46 HA1 GLY 46 -4.686 -6.083 19.099
309 H GLY 47 HN GLY 47 -5.630 -2.978 18.172
310 HA2 GLY 47 HA2 GLY 47 -7.376 -2.328 16.773
311 HA3 GLY 47 HA1 GLY 47 -7.629 -4.016 16.336
312 H LYS 48 HN LYS 48 -7.256 -4.351 19.401
313 HA LYS 48 HA LYS 48 -9.945 -4.736 19.941
314 HB2 LYS 48 HB2 LYS 48 -7.515 -4.846 21.585
315 HB3 LYS 48 HB1 LYS 48 -9.089 -5.120 22.330
316 HG2 LYS 48 HG2 LYS 48 -9.371 -7.138 21.349
317 HG3 LYS 48 HG1 LYS 48 -8.658 -6.605 19.836
318 HD2 LYS 48 HD2 LYS 48 -7.333 -8.398 20.806
319 HD3 LYS 48 HD1 LYS 48 -6.463 -6.863 20.768
320 HE2 LYS 48 HE2 LYS 48 -7.885 -7.751 23.268
321 HE3 LYS 48 HE1 LYS 48 -6.287 -8.381 22.889
322 HZ1 LYS 48 HZ1 LYS 48 -6.068 -6.453 24.317
323 HZ2 LYS 48 HZ2 LYS 48 -6.978 -5.498 23.246
324 HZ3 LYS 48 HZ3 LYS 48 -5.498 -6.085 22.767
325 H ILE 49 HN ILE 49 -8.016 -1.973 20.695
326 HA ILE 49 HA ILE 49 -10.190 -0.872 22.285
327 HB ILE 49 HB ILE 49 -7.674 0.411 21.239
328 HG12 ILE 49 HG12 ILE 49 -8.437 -0.164 24.076
329 HG13 ILE 49 HG11 ILE 49 -7.612 -1.340 23.055
330 HG21 ILE 49 HG21 ILE 49 -9.376 2.182 21.436
331 HG22 ILE 49 HG22 ILE 49 -8.128 2.368 22.658
332 HG23 ILE 49 HG23 ILE 49 -9.694 1.713 23.100
333 HD11 ILE 49 HD11 ILE 49 -6.608 1.392 23.745
334 HD12 ILE 49 HD12 ILE 49 -5.925 0.159 22.655
335 HD13 ILE 49 HD13 ILE 49 -6.030 -0.181 24.393
336 H SER 50 HN SER 50 -11.423 0.853 21.720
337 HA SER 50 HA SER 50 -11.776 1.474 18.909
338 HB2 SER 50 HB2 SER 50 -13.982 0.436 20.725
339 HB3 SER 50 HB1 SER 50 -14.186 1.003 19.067
340 HG SER 50 HG SER 50 -12.271 -0.902 19.200
341 H LEU 51 HN LEU 51 -13.708 3.374 18.967
342 HA LEU 51 HA LEU 51 -12.786 5.154 20.724
343 HB2 LEU 51 HB2 LEU 51 -13.165 5.434 18.429
344 HB3 LEU 51 HB1 LEU 51 -14.857 5.014 18.663
345 HG LEU 51 HG LEU 51 -15.010 6.794 20.287
346 HD11 LEU 51 HD11 LEU 51 -12.308 7.097 19.285
347 HD12 LEU 51 HD12 LEU 51 -12.929 6.993 20.945
348 HD13 LEU 51 HD13 LEU 51 -13.165 8.502 20.011
349 HD21 LEU 51 HD21 LEU 51 -14.123 7.590 17.609
350 HD22 LEU 51 HD22 LEU 51 -15.261 8.386 18.812
351 HD23 LEU 51 HD23 LEU 51 -15.643 6.777 18.077
352 H LYS 52 HN LYS 52 -13.972 5.992 22.473
353 HA LYS 52 HA LYS 52 -16.625 4.966 23.005
354 HB2 LYS 52 HB2 LYS 52 -15.525 7.454 24.111
355 HB3 LYS 52 HB1 LYS 52 -16.770 6.447 24.844
356 HG2 LYS 52 HG2 LYS 52 -14.721 4.827 25.104
357 HG3 LYS 52 HG1 LYS 52 -13.882 6.384 24.805
358 HD2 LYS 52 HD2 LYS 52 -15.278 7.426 26.609
359 HD3 LYS 52 HD1 LYS 52 -15.896 5.833 27.015
360 HE2 LYS 52 HE2 LYS 52 -14.216 6.343 28.603
361 HE3 LYS 52 HE1 LYS 52 -13.493 5.183 27.489
362 HZ1 LYS 52 HZ1 LYS 52 -12.050 7.168 28.041
363 HZ2 LYS 52 HZ2 LYS 52 -13.153 8.114 27.187
364 HZ3 LYS 52 HZ3 LYS 52 -12.321 6.881 26.405
365 H HIS 53 HN HIS 53 -15.174 7.892 22.156
366 HA HIS 53 HA HIS 53 -17.747 8.832 20.997
367 HB2 HIS 53 HB2 HIS 53 -16.362 10.489 23.130
368 HB3 HIS 53 HB1 HIS 53 -17.785 10.949 22.224
369 HD1 HIS 53 HD1 HIS 53 -17.009 10.019 25.476
370 HD2 HIS 53 HD2 HIS 53 -19.870 8.687 22.769
371 HE1 HIS 53 HE1 HIS 53 -18.820 8.917 26.844
372 HA PRO 54 HA PRO 54 -14.839 11.199 18.469
373 HB2 PRO 54 HB2 PRO 54 -17.107 12.565 17.269
374 HB3 PRO 54 HB1 PRO 54 -16.080 11.327 16.520
375 HG2 PRO 54 HG2 PRO 54 -18.700 10.928 17.116
376 HG3 PRO 54 HG1 PRO 54 -17.491 9.635 17.013
377 HD2 PRO 54 HD2 PRO 54 -18.632 10.942 19.438
378 HD3 PRO 54 HD1 PRO 54 -18.195 9.243 19.142
379 H GLY 55 HN GLY 55 -13.933 12.740 19.652
380 HA2 GLY 55 HA2 GLY 55 -13.988 15.143 20.237
381 HA3 GLY 55 HA1 GLY 55 -15.639 14.868 20.775
382 H LYS 56 HN LYS 56 -14.013 15.982 22.573
383 HA LYS 56 HA LYS 56 -12.580 14.374 24.217
384 HB2 LYS 56 HB2 LYS 56 -14.173 16.792 24.681
385 HB3 LYS 56 HB1 LYS 56 -13.230 16.028 25.953
386 HG2 LYS 56 HG2 LYS 56 -11.256 16.394 24.469
387 HG3 LYS 56 HG1 LYS 56 -12.362 17.342 23.440
388 HD2 LYS 56 HD2 LYS 56 -11.249 18.911 24.893
389 HD3 LYS 56 HD1 LYS 56 -12.879 18.714 25.513
390 HE2 LYS 56 HE2 LYS 56 -10.387 17.367 26.646
391 HE3 LYS 56 HE1 LYS 56 -11.150 18.792 27.315
392 HZ1 LYS 56 HZ1 LYS 56 -12.211 15.968 27.379
393 HZ2 LYS 56 HZ2 LYS 56 -13.189 17.232 27.737
394 HZ3 LYS 56 HZ3 LYS 56 -11.850 16.941 28.654
395 H CYS 57 HN CYS 57 -12.867 13.647 26.061
396 HA CYS 57 HA CYS 57 -15.423 13.739 27.417
397 HB2 CYS 57 HB2 CYS 57 -13.127 11.730 27.690
398 HB3 CYS 57 HB1 CYS 57 -14.476 11.833 28.812
Start of MODEL 18
1 H GLN 1 HT1 GLN 1 -2.342 6.384 5.028
2 HA GLN 1 HA GLN 1 -2.272 4.847 2.544
3 HB2 GLN 1 HB2 GLN 1 -4.367 5.111 4.717
4 HB3 GLN 1 HB1 GLN 1 -4.862 4.854 3.057
5 HG2 GLN 1 HG2 GLN 1 -4.900 2.746 4.206
6 HG3 GLN 1 HG1 GLN 1 -3.586 2.719 3.048
7 HE21 GLN 1 HE21 GLN 1 -4.041 1.070 5.409
8 HE22 GLN 1 HE22 GLN 1 -2.657 1.281 6.408
9 H GLY 2 HN GLY 2 -3.036 5.979 0.774
10 HA2 GLY 2 HA2 GLY 2 -3.703 7.862 -0.378
11 HA3 GLY 2 HA1 GLY 2 -4.037 8.670 1.162
12 H GLY 3 HN GLY 3 -2.157 9.089 2.509
13 HA2 GLY 3 HA2 GLY 3 0.246 9.727 0.947
14 HA3 GLY 3 HA1 GLY 3 -0.301 10.652 2.354
15 H GLN 4 HN GLN 4 2.241 9.669 2.441
16 HA GLN 4 HA GLN 4 2.277 7.157 3.758
17 HB2 GLN 4 HB2 GLN 4 4.661 7.497 3.957
18 HB3 GLN 4 HB1 GLN 4 4.134 8.032 2.369
19 HG2 GLN 4 HG2 GLN 4 4.743 9.870 4.681
20 HG3 GLN 4 HG1 GLN 4 5.863 9.490 3.377
21 HE21 GLN 4 HE21 GLN 4 4.768 12.033 4.239
22 HE22 GLN 4 HE22 GLN 4 3.975 12.706 2.853
23 H VAL 5 HN VAL 5 2.195 6.736 5.920
24 HA VAL 5 HA VAL 5 2.555 8.849 7.820
25 HB VAL 5 HB VAL 5 0.111 8.731 7.029
26 HG11 VAL 5 HG11 VAL 5 -1.294 6.935 7.913
27 HG12 VAL 5 HG12 VAL 5 0.158 6.152 8.562
28 HG13 VAL 5 HG13 VAL 5 -0.021 6.345 6.821
29 HG21 VAL 5 HG21 VAL 5 0.745 8.320 9.939
30 HG22 VAL 5 HG22 VAL 5 -0.772 8.966 9.313
31 HG23 VAL 5 HG23 VAL 5 0.735 9.852 9.066
32 H ASP 6 HN ASP 6 2.862 7.724 10.023
33 HA ASP 6 HA ASP 6 3.431 4.914 9.533
34 HB2 ASP 6 HB2 ASP 6 5.478 6.096 9.266
35 HB3 ASP 6 HB1 ASP 6 5.290 6.818 10.876
36 H CYS 7 HN CYS 7 1.940 3.970 10.809
37 HA CYS 7 HA CYS 7 2.884 3.976 13.657
38 HB2 CYS 7 HB2 CYS 7 0.293 2.939 12.521
39 HB3 CYS 7 HB1 CYS 7 0.865 2.741 14.183
40 H GLY 8 HN GLY 8 4.686 3.392 12.535
41 HA2 GLY 8 HA2 GLY 8 4.929 0.869 11.367
42 HA3 GLY 8 HA1 GLY 8 6.216 1.899 11.959
43 H GLU 9 HN GLU 9 4.439 1.600 14.655
44 HA GLU 9 HA GLU 9 5.910 -0.495 15.750
45 HB2 GLU 9 HB2 GLU 9 3.370 0.850 16.325
46 HB3 GLU 9 HB1 GLU 9 3.999 -0.389 17.460
47 HG2 GLU 9 HG2 GLU 9 6.021 1.224 17.603
48 HG3 GLU 9 HG1 GLU 9 4.974 2.396 16.800
49 H PHE 10 HN PHE 10 2.739 -0.099 14.326
50 HA PHE 10 HA PHE 10 1.330 -1.496 13.048
51 HB2 PHE 10 HB2 PHE 10 3.720 -1.401 12.093
52 HB3 PHE 10 HB1 PHE 10 3.659 -3.054 12.757
53 HD1 PHE 10 HD1 PHE 10 1.474 -0.929 10.573
54 HD2 PHE 10 HD2 PHE 10 3.256 -4.752 11.154
55 HE1 PHE 10 HE1 PHE 10 0.408 -1.738 8.510
56 HE2 PHE 10 HE2 PHE 10 2.187 -5.567 9.095
57 HZ PHE 10 HZ PHE 10 0.763 -4.059 7.769
58 H GLN 11 HN GLN 11 1.869 -2.342 15.666
59 HA GLN 11 HA GLN 11 2.163 -5.097 15.980
60 HB2 GLN 11 HB2 GLN 11 0.864 -3.113 17.624
61 HB3 GLN 11 HB1 GLN 11 1.166 -4.764 18.302
62 HG2 GLN 11 HG2 GLN 11 3.520 -4.310 17.420
63 HG3 GLN 11 HG1 GLN 11 2.909 -2.667 17.261
64 HE21 GLN 11 HE21 GLN 11 5.112 -3.799 18.915
65 HE22 GLN 11 HE22 GLN 11 4.768 -3.321 20.546
66 H ASP 12 HN ASP 12 -0.359 -3.498 14.945
67 HA ASP 12 HA ASP 12 -1.769 -5.939 14.380
68 HB2 ASP 12 HB2 ASP 12 -2.845 -4.666 16.199
69 HB3 ASP 12 HB1 ASP 12 -2.869 -3.322 15.047
70 H THR 13 HN THR 13 -2.575 -5.745 12.501
71 HA THR 13 HA THR 13 -0.902 -4.499 10.561
72 HB THR 13 HB THR 13 -1.784 -6.705 10.260
73 HG1 THR 13 HG1 THR 13 -1.807 -4.743 8.353
74 HG21 THR 13 HG21 THR 13 -4.077 -6.453 11.016
75 HG22 THR 13 HG22 THR 13 -4.077 -7.081 9.367
76 HG23 THR 13 HG23 THR 13 -4.430 -5.378 9.662
77 H LYS 14 HN LYS 14 -4.173 -3.736 11.477
78 HA LYS 14 HA LYS 14 -4.545 -1.910 9.260
79 HB2 LYS 14 HB2 LYS 14 -6.797 -1.774 10.044
80 HB3 LYS 14 HB1 LYS 14 -6.148 -3.406 10.345
81 HG2 LYS 14 HG2 LYS 14 -5.800 -2.983 12.633
82 HG3 LYS 14 HG1 LYS 14 -6.282 -1.300 12.455
83 HD2 LYS 14 HD2 LYS 14 -8.550 -1.983 11.907
84 HD3 LYS 14 HD1 LYS 14 -8.070 -3.684 11.984
85 HE2 LYS 14 HE2 LYS 14 -7.912 -1.729 14.277
86 HE3 LYS 14 HE1 LYS 14 -9.186 -2.927 14.052
87 HZ1 LYS 14 HZ1 LYS 14 -6.308 -3.675 14.259
88 HZ2 LYS 14 HZ2 LYS 14 -7.629 -4.687 14.380
89 HZ3 LYS 14 HZ3 LYS 14 -7.321 -3.544 15.596
90 H VAL 15 HN VAL 15 -2.544 -1.465 11.666
91 HA VAL 15 HA VAL 15 -3.702 0.972 12.713
92 HB VAL 15 HB VAL 15 -1.188 -0.407 13.600
93 HG11 VAL 15 HG11 VAL 15 -1.237 1.887 14.287
94 HG12 VAL 15 HG12 VAL 15 -1.628 0.875 15.693
95 HG13 VAL 15 HG13 VAL 15 -2.900 1.722 14.832
96 HG21 VAL 15 HG21 VAL 15 -3.943 -0.585 14.792
97 HG22 VAL 15 HG22 VAL 15 -2.464 -1.369 15.391
98 HG23 VAL 15 HG23 VAL 15 -3.144 -1.818 13.821
99 H TYR 16 HN TYR 16 -3.448 2.476 11.320
100 HA TYR 16 HA TYR 16 -0.777 3.621 10.823
101 HB2 TYR 16 HB2 TYR 16 -1.479 4.223 8.572
102 HB3 TYR 16 HB1 TYR 16 -1.803 2.496 8.781
103 HD1 TYR 16 HD2 TYR 16 -4.166 1.715 9.148
104 HD2 TYR 16 HD1 TYR 16 -3.279 5.735 8.060
105 HE1 TYR 16 HE2 TYR 16 -6.514 2.056 8.508
106 HE2 TYR 16 HE1 TYR 16 -5.627 6.083 7.422
107 HH TYR 16 HH TYR 16 -7.591 4.727 6.736
108 H CYS 17 HN CYS 17 -1.034 6.044 10.929
109 HA CYS 17 HA CYS 17 -3.587 6.785 12.128
110 HB2 CYS 17 HB2 CYS 17 -2.378 8.427 13.351
111 HB3 CYS 17 HB1 CYS 17 -1.582 6.835 13.470
112 H THR 18 HN THR 18 -3.721 9.220 12.050
113 HA THR 18 HA THR 18 -2.814 10.516 9.654
114 HB THR 18 HB THR 18 -5.025 9.806 8.933
115 HG1 THR 18 HG1 THR 18 -5.815 11.794 8.404
116 HG21 THR 18 HG21 THR 18 -6.091 9.361 11.049
117 HG22 THR 18 HG22 THR 18 -7.056 10.606 10.225
118 HG23 THR 18 HG23 THR 18 -5.910 11.039 11.513
119 H ARG 19 HN ARG 19 -3.346 12.543 9.854
120 HA ARG 19 HA ARG 19 -2.916 13.479 12.615
121 HB2 ARG 19 HB2 ARG 19 -1.546 15.410 11.517
122 HB3 ARG 19 HB1 ARG 19 -0.786 13.852 11.790
123 HG2 ARG 19 HG2 ARG 19 -0.815 13.308 9.522
124 HG3 ARG 19 HG1 ARG 19 -2.059 14.500 9.156
125 HD2 ARG 19 HD2 ARG 19 0.679 15.291 10.132
126 HD3 ARG 19 HD1 ARG 19 0.327 15.050 8.417
127 HE ARG 19 HE ARG 19 -1.621 16.737 9.551
128 HH11 ARG 19 HH11 ARG 19 1.814 16.991 8.776
129 HH12 ARG 19 HH12 ARG 19 1.692 18.617 8.250
130 HH21 ARG 19 HH21 ARG 19 -1.831 18.778 8.787
131 HH22 ARG 19 HH22 ARG 19 -0.522 19.721 8.263
132 H GLU 20 HN GLU 20 -4.731 13.762 9.846
133 HA GLU 20 HA GLU 20 -5.400 16.520 10.461
134 HB2 GLU 20 HB2 GLU 20 -5.922 14.825 8.118
135 HB3 GLU 20 HB1 GLU 20 -6.420 16.529 8.239
136 HG2 GLU 20 HG2 GLU 20 -3.637 15.348 8.039
137 HG3 GLU 20 HG1 GLU 20 -4.432 16.406 6.883
138 H SER 21 HN SER 21 -7.116 16.898 11.514
139 HA SER 21 HA SER 21 -9.360 17.266 11.854
140 HB2 SER 21 HB2 SER 21 -9.277 17.129 9.369
141 HB3 SER 21 HB1 SER 21 -9.689 15.418 9.648
142 HG SER 21 HG SER 21 -11.547 16.361 10.879
143 H ASN 22 HN ASN 22 -8.208 14.118 12.263
144 HA ASN 22 HA ASN 22 -10.961 13.211 12.933
145 HB2 ASN 22 HB2 ASN 22 -8.567 11.431 12.466
146 HB3 ASN 22 HB1 ASN 22 -10.175 10.888 12.905
147 HD21 ASN 22 HD21 ASN 22 -11.444 12.910 11.096
148 HD22 ASN 22 HD22 ASN 22 -11.193 12.263 9.516
149 HA PRO 23 HA PRO 23 -9.333 13.288 17.161
150 HB2 PRO 23 HB2 PRO 23 -11.802 14.198 18.205
151 HB3 PRO 23 HB1 PRO 23 -10.373 15.188 17.895
152 HG2 PRO 23 HG2 PRO 23 -12.786 15.425 16.533
153 HG3 PRO 23 HG1 PRO 23 -11.225 16.103 16.040
154 HD2 PRO 23 HD2 PRO 23 -12.584 13.639 15.076
155 HD3 PRO 23 HD1 PRO 23 -11.547 14.789 14.202
156 H HIS 24 HN HIS 24 -9.921 11.964 19.016
157 HA HIS 24 HA HIS 24 -11.969 9.807 18.752
158 HB2 HIS 24 HB2 HIS 24 -8.985 9.319 18.708
159 HB3 HIS 24 HB1 HIS 24 -10.283 8.160 18.945
160 HD1 HIS 24 HD1 HIS 24 -9.060 10.484 16.114
161 HD2 HIS 24 HD2 HIS 24 -10.881 6.788 16.675
162 HE1 HIS 24 HE1 HIS 24 -9.177 9.418 13.868
163 H CYS 25 HN CYS 25 -12.674 9.608 20.421
164 HA CYS 25 HA CYS 25 -10.976 9.853 22.786
165 HB2 CYS 25 HB2 CYS 25 -13.353 10.910 22.743
166 HB3 CYS 25 HB1 CYS 25 -13.932 9.241 22.675
167 H GLY 26 HN GLY 26 -9.810 8.050 22.759
168 HA2 GLY 26 HA2 GLY 26 -10.946 5.745 21.390
169 HA3 GLY 26 HA1 GLY 26 -9.281 5.953 21.909
170 H SER 27 HN SER 27 -10.707 3.579 22.382
171 HA SER 27 HA SER 27 -11.766 3.738 24.849
172 HB2 SER 27 HB2 SER 27 -10.668 1.294 23.438
173 HB3 SER 27 HB1 SER 27 -11.629 1.210 24.920
174 HG SER 27 HG SER 27 -13.292 1.315 23.634
175 H ASP 28 HN ASP 28 -8.687 4.372 24.086
176 HA ASP 28 HA ASP 28 -6.889 3.604 26.158
177 HB2 ASP 28 HB2 ASP 28 -6.354 4.843 24.008
178 HB3 ASP 28 HB1 ASP 28 -7.307 6.187 24.594
179 H GLY 29 HN GLY 29 -9.623 5.456 25.837
180 HA2 GLY 29 HA2 GLY 29 -10.986 6.035 27.729
181 HA3 GLY 29 HA1 GLY 29 -9.473 6.259 28.632
182 H GLN 30 HN GLN 30 -8.169 7.357 26.465
183 HA GLN 30 HA GLN 30 -8.904 10.006 27.133
184 HB2 GLN 30 HB2 GLN 30 -6.456 9.010 25.805
185 HB3 GLN 30 HB1 GLN 30 -6.754 10.697 26.244
186 HG2 GLN 30 HG2 GLN 30 -7.193 10.133 28.352
187 HG3 GLN 30 HG1 GLN 30 -6.944 8.382 27.979
188 HE21 GLN 30 HE21 GLN 30 -5.158 8.078 29.348
189 HE22 GLN 30 HE22 GLN 30 -3.612 8.834 29.146
190 H THR 31 HN THR 31 -8.771 11.665 25.870
191 HA THR 31 HA THR 31 -9.770 11.219 23.135
192 HB THR 31 HB THR 31 -9.850 13.802 24.705
193 HG1 THR 31 HG1 THR 31 -11.392 11.738 24.885
194 HG21 THR 31 HG21 THR 31 -9.589 14.218 22.301
195 HG22 THR 31 HG22 THR 31 -11.272 14.577 22.787
196 HG23 THR 31 HG23 THR 31 -10.895 13.101 21.931
197 H TYR 32 HN TYR 32 -8.553 11.459 21.563
198 HA TYR 32 HA TYR 32 -6.233 13.128 21.893
199 HB2 TYR 32 HB2 TYR 32 -6.551 10.520 20.484
200 HB3 TYR 32 HB1 TYR 32 -5.207 11.612 20.156
201 HD1 TYR 32 HD1 TYR 32 -3.959 12.491 22.292
202 HD2 TYR 32 HD2 TYR 32 -6.248 8.908 22.168
203 HE1 TYR 32 HE1 TYR 32 -2.739 11.652 24.241
204 HE2 TYR 32 HE2 TYR 32 -5.032 8.067 24.116
205 HH TYR 32 HH TYR 32 -3.368 9.877 26.138
206 H GLY 33 HN GLY 33 -5.677 14.359 20.357
207 HA2 GLY 33 HA2 GLY 33 -7.655 15.753 18.961
208 HA3 GLY 33 HA1 GLY 33 -5.932 15.959 18.710
209 H ASN 34 HN ASN 34 -5.451 13.231 17.709
210 HA ASN 34 HA ASN 34 -7.234 13.039 15.520
211 HB2 ASN 34 HB2 ASN 34 -5.572 13.187 13.761
212 HB3 ASN 34 HB1 ASN 34 -5.623 14.648 14.655
213 HD21 ASN 34 HD21 ASN 34 -3.541 15.303 14.147
214 HD22 ASN 34 HD22 ASN 34 -2.124 14.574 14.810
215 H LYS 35 HN LYS 35 -6.071 11.197 14.038
216 HA LYS 35 HA LYS 35 -6.471 8.938 15.720
217 HB2 LYS 35 HB2 LYS 35 -7.103 9.046 13.278
218 HB3 LYS 35 HB1 LYS 35 -5.357 8.954 12.998
219 HG2 LYS 35 HG2 LYS 35 -5.265 6.730 13.974
220 HG3 LYS 35 HG1 LYS 35 -6.980 6.799 14.365
221 HD2 LYS 35 HD2 LYS 35 -5.851 6.899 11.557
222 HD3 LYS 35 HD1 LYS 35 -6.455 5.443 12.336
223 HE2 LYS 35 HE2 LYS 35 -8.098 7.931 11.785
224 HE3 LYS 35 HE1 LYS 35 -8.096 6.481 10.791
225 HZ1 LYS 35 HZ1 LYS 35 -8.929 5.234 12.729
226 HZ2 LYS 35 HZ2 LYS 35 -9.976 6.466 12.255
227 HZ3 LYS 35 HZ3 LYS 35 -9.044 6.671 13.624
228 H CYS 36 HN CYS 36 -3.864 10.274 14.382
229 HA CYS 36 HA CYS 36 -1.860 8.320 15.030
230 HB2 CYS 36 HB2 CYS 36 -1.785 10.645 13.674
231 HB3 CYS 36 HB1 CYS 36 -1.033 11.088 15.210
232 H ALA 37 HN ALA 37 -3.088 10.835 16.660
233 HA ALA 37 HA ALA 37 -1.353 10.896 18.930
234 HB1 ALA 37 HB1 ALA 37 -2.798 12.734 18.398
235 HB2 ALA 37 HB2 ALA 37 -3.317 12.146 19.998
236 HB3 ALA 37 HB3 ALA 37 -4.161 11.653 18.500
237 H PHE 38 HN PHE 38 -4.298 9.192 18.255
238 HA PHE 38 HA PHE 38 -4.245 7.631 20.768
239 HB2 PHE 38 HB2 PHE 38 -6.417 8.515 20.191
240 HB3 PHE 38 HB1 PHE 38 -6.256 7.988 18.533
241 HD1 PHE 38 HD2 PHE 38 -5.963 6.198 21.826
242 HD2 PHE 38 HD1 PHE 38 -7.883 6.493 18.038
243 HE1 PHE 38 HE2 PHE 38 -7.248 4.150 22.306
244 HE2 PHE 38 HE1 PHE 38 -9.166 4.460 18.522
245 HZ PHE 38 HZ PHE 38 -8.847 3.290 20.651
246 H CYS 39 HN CYS 39 -2.863 7.332 17.812
247 HA CYS 39 HA CYS 39 -3.486 4.645 17.016
248 HB2 CYS 39 HB2 CYS 39 -2.541 6.502 15.568
249 HB3 CYS 39 HB1 CYS 39 -0.989 6.183 16.337
250 H LYS 40 HN LYS 40 -1.113 6.019 19.156
251 HA LYS 40 HA LYS 40 0.567 3.823 19.144
252 HB2 LYS 40 HB2 LYS 40 1.182 4.931 21.237
253 HB3 LYS 40 HB1 LYS 40 1.490 5.851 19.675
254 HG2 LYS 40 HG2 LYS 40 0.835 7.452 21.412
255 HG3 LYS 40 HG1 LYS 40 -0.606 7.189 20.445
256 HD2 LYS 40 HD2 LYS 40 -1.444 5.669 22.024
257 HD3 LYS 40 HD1 LYS 40 -0.023 5.779 23.077
258 HE2 LYS 40 HE2 LYS 40 -0.627 8.209 23.423
259 HE3 LYS 40 HE1 LYS 40 -2.075 7.944 22.460
260 HZ1 LYS 40 HZ1 LYS 40 -2.534 7.880 24.848
261 HZ2 LYS 40 HZ2 LYS 40 -1.534 6.585 25.109
262 HZ3 LYS 40 HZ3 LYS 40 -2.937 6.400 24.243
263 H ALA 41 HN ALA 41 -1.954 4.716 20.769
264 HA ALA 41 HA ALA 41 -1.736 2.886 22.992
265 HB1 ALA 41 HB1 ALA 41 -3.874 4.264 21.724
266 HB2 ALA 41 HB2 ALA 41 -3.031 4.710 23.287
267 HB3 ALA 41 HB3 ALA 41 -4.058 3.204 23.128
268 H ILE 42 HN ILE 42 -3.240 2.954 19.774
269 HA ILE 42 HA ILE 42 -4.957 0.757 20.214
270 HB ILE 42 HB ILE 42 -3.715 2.157 17.870
271 HG12 ILE 42 HG12 ILE 42 -6.562 1.897 18.664
272 HG13 ILE 42 HG11 ILE 42 -5.339 2.957 19.421
273 HG21 ILE 42 HG21 ILE 42 -5.105 0.782 16.400
274 HG22 ILE 42 HG22 ILE 42 -5.610 -0.172 17.827
275 HG23 ILE 42 HG23 ILE 42 -3.897 -0.108 17.351
276 HD11 ILE 42 HD11 ILE 42 -5.703 3.023 16.486
277 HD12 ILE 42 HD12 ILE 42 -5.007 4.133 17.729
278 HD13 ILE 42 HD13 ILE 42 -6.757 3.972 17.587
279 H VAL 43 HN VAL 43 -1.955 1.446 18.999
280 HA VAL 43 HA VAL 43 -0.929 -1.023 18.284
281 HB VAL 43 HB VAL 43 0.493 1.209 19.635
282 HG11 VAL 43 HG11 VAL 43 2.425 0.392 18.369
283 HG12 VAL 43 HG12 VAL 43 1.443 -0.904 17.681
284 HG13 VAL 43 HG13 VAL 43 1.789 -0.879 19.408
285 HG21 VAL 43 HG21 VAL 43 0.005 0.863 16.697
286 HG22 VAL 43 HG22 VAL 43 0.894 2.183 17.526
287 HG23 VAL 43 HG23 VAL 43 -0.827 1.950 17.837
288 H LYS 44 HN LYS 44 -1.209 0.475 21.482
289 HA LYS 44 HA LYS 44 0.758 -1.197 22.614
290 HB2 LYS 44 HB2 LYS 44 -1.287 0.546 23.652
291 HB3 LYS 44 HB1 LYS 44 -0.229 -0.289 24.822
292 HG2 LYS 44 HG2 LYS 44 0.574 1.694 22.655
293 HG3 LYS 44 HG1 LYS 44 0.609 1.992 24.389
294 HD2 LYS 44 HD2 LYS 44 2.511 0.747 24.704
295 HD3 LYS 44 HD1 LYS 44 2.237 -0.304 23.327
296 HE2 LYS 44 HE2 LYS 44 3.048 2.603 23.177
297 HE3 LYS 44 HE1 LYS 44 4.139 1.229 22.994
298 HZ1 LYS 44 HZ1 LYS 44 2.765 0.531 21.064
299 HZ2 LYS 44 HZ2 LYS 44 3.576 1.906 20.809
300 HZ3 LYS 44 HZ3 LYS 44 1.916 1.986 21.116
301 H SER 45 HN SER 45 -2.625 -1.351 22.561
302 HA SER 45 HA SER 45 -2.389 -3.983 23.843
303 HB2 SER 45 HB2 SER 45 -4.896 -2.400 23.383
304 HB3 SER 45 HB1 SER 45 -4.788 -3.919 24.278
305 HG SER 45 HG SER 45 -2.957 -2.322 25.244
306 H GLY 46 HN GLY 46 -1.708 -3.443 20.984
307 HA2 GLY 46 HA2 GLY 46 -1.518 -4.970 19.466
308 HA3 GLY 46 HA1 GLY 46 -2.866 -5.873 20.268
309 H GLY 47 HN GLY 47 -3.458 -2.705 19.341
310 HA2 GLY 47 HA2 GLY 47 -4.651 -1.871 17.563
311 HA3 GLY 47 HA1 GLY 47 -4.440 -3.406 16.738
312 H LYS 48 HN LYS 48 -5.449 -4.225 19.643
313 HA LYS 48 HA LYS 48 -8.047 -4.736 18.740
314 HB2 LYS 48 HB2 LYS 48 -6.779 -5.192 21.356
315 HB3 LYS 48 HB1 LYS 48 -8.276 -5.983 20.831
316 HG2 LYS 48 HG2 LYS 48 -5.472 -6.374 19.717
317 HG3 LYS 48 HG1 LYS 48 -6.509 -7.596 20.457
318 HD2 LYS 48 HD2 LYS 48 -8.095 -7.358 18.534
319 HD3 LYS 48 HD1 LYS 48 -6.979 -6.131 17.906
320 HE2 LYS 48 HE2 LYS 48 -6.032 -8.942 18.386
321 HE3 LYS 48 HE1 LYS 48 -6.860 -8.515 16.894
322 HZ1 LYS 48 HZ1 LYS 48 -4.366 -8.374 16.760
323 HZ2 LYS 48 HZ2 LYS 48 -4.422 -7.048 17.823
324 HZ3 LYS 48 HZ3 LYS 48 -5.130 -6.948 16.359
325 H ILE 49 HN ILE 49 -6.762 -2.236 20.703
326 HA ILE 49 HA ILE 49 -9.144 -1.479 22.058
327 HB ILE 49 HB ILE 49 -6.889 0.318 21.100
328 HG12 ILE 49 HG12 ILE 49 -7.345 -1.028 23.736
329 HG13 ILE 49 HG11 ILE 49 -6.292 -1.606 22.442
330 HG21 ILE 49 HG21 ILE 49 -9.003 1.576 21.842
331 HG22 ILE 49 HG22 ILE 49 -7.595 1.913 22.828
332 HG23 ILE 49 HG23 ILE 49 -8.805 0.787 23.405
333 HD11 ILE 49 HD11 ILE 49 -4.979 0.264 22.580
334 HD12 ILE 49 HD12 ILE 49 -5.098 -0.430 24.212
335 HD13 ILE 49 HD13 ILE 49 -6.004 1.049 23.787
336 H SER 50 HN SER 50 -10.581 0.319 21.575
337 HA SER 50 HA SER 50 -11.095 0.602 18.723
338 HB2 SER 50 HB2 SER 50 -13.128 -0.046 20.876
339 HB3 SER 50 HB1 SER 50 -13.444 0.151 19.152
340 HG SER 50 HG SER 50 -11.508 -1.717 19.714
341 H LEU 51 HN LEU 51 -13.070 2.462 18.689
342 HA LEU 51 HA LEU 51 -12.107 4.498 20.178
343 HB2 LEU 51 HB2 LEU 51 -12.484 4.417 17.831
344 HB3 LEU 51 HB1 LEU 51 -14.180 4.097 18.159
345 HG LEU 51 HG LEU 51 -14.267 6.094 19.478
346 HD11 LEU 51 HD11 LEU 51 -12.296 7.664 18.896
347 HD12 LEU 51 HD12 LEU 51 -11.508 6.022 18.629
348 HD13 LEU 51 HD13 LEU 51 -12.262 6.417 20.153
349 HD21 LEU 51 HD21 LEU 51 -13.315 6.455 16.726
350 HD22 LEU 51 HD22 LEU 51 -14.449 7.458 17.768
351 HD23 LEU 51 HD23 LEU 51 -14.862 5.767 17.286
352 H LYS 52 HN LYS 52 -13.288 5.461 21.730
353 HA LYS 52 HA LYS 52 -15.870 4.449 22.599
354 HB2 LYS 52 HB2 LYS 52 -14.644 7.052 23.349
355 HB3 LYS 52 HB1 LYS 52 -15.858 6.145 24.259
356 HG2 LYS 52 HG2 LYS 52 -14.168 4.489 24.801
357 HG3 LYS 52 HG1 LYS 52 -13.164 5.406 23.623
358 HD2 LYS 52 HD2 LYS 52 -12.561 5.917 26.033
359 HD3 LYS 52 HD1 LYS 52 -12.970 7.289 25.021
360 HE2 LYS 52 HE2 LYS 52 -15.286 7.175 26.017
361 HE3 LYS 52 HE1 LYS 52 -14.638 5.996 27.166
362 HZ1 LYS 52 HZ1 LYS 52 -13.732 8.777 26.753
363 HZ2 LYS 52 HZ2 LYS 52 -12.918 7.719 27.748
364 HZ3 LYS 52 HZ3 LYS 52 -14.509 8.204 28.138
365 H HIS 53 HN HIS 53 -14.541 7.173 21.165
366 HA HIS 53 HA HIS 53 -17.143 7.847 19.963
367 HB2 HIS 53 HB2 HIS 53 -17.315 8.713 22.298
368 HB3 HIS 53 HB1 HIS 53 -15.966 9.786 21.968
369 HD1 HIS 53 HD1 HIS 53 -16.841 12.152 21.621
370 HD2 HIS 53 HD2 HIS 53 -19.440 9.249 20.147
371 HE1 HIS 53 HE1 HIS 53 -18.776 13.379 20.631
372 HA PRO 54 HA PRO 54 -14.349 9.880 17.045
373 HB2 PRO 54 HB2 PRO 54 -16.802 10.829 15.740
374 HB3 PRO 54 HB1 PRO 54 -15.585 9.711 15.093
375 HG2 PRO 54 HG2 PRO 54 -18.063 8.907 15.728
376 HG3 PRO 54 HG1 PRO 54 -16.640 7.857 15.873
377 HD2 PRO 54 HD2 PRO 54 -18.122 9.309 18.013
378 HD3 PRO 54 HD1 PRO 54 -17.392 7.687 18.015
379 H GLY 55 HN GLY 55 -13.543 11.656 17.899
380 HA2 GLY 55 HA2 GLY 55 -13.741 14.095 18.103
381 HA3 GLY 55 HA1 GLY 55 -15.384 13.825 18.661
382 H LYS 56 HN LYS 56 -14.314 15.183 20.468
383 HA LYS 56 HA LYS 56 -12.788 13.696 22.285
384 HB2 LYS 56 HB2 LYS 56 -12.883 15.623 23.633
385 HB3 LYS 56 HB1 LYS 56 -12.777 16.117 21.925
386 HG2 LYS 56 HG2 LYS 56 -15.041 16.786 21.847
387 HG3 LYS 56 HG1 LYS 56 -15.389 16.059 23.415
388 HD2 LYS 56 HD2 LYS 56 -13.507 18.393 22.988
389 HD3 LYS 56 HD1 LYS 56 -15.190 18.553 23.480
390 HE2 LYS 56 HE2 LYS 56 -13.095 17.021 25.057
391 HE3 LYS 56 HE1 LYS 56 -13.545 18.688 25.366
392 HZ1 LYS 56 HZ1 LYS 56 -14.681 17.013 26.817
393 HZ2 LYS 56 HZ2 LYS 56 -15.453 16.375 25.539
394 HZ3 LYS 56 HZ3 LYS 56 -15.786 17.957 25.980
395 H CYS 57 HN CYS 57 -13.394 13.378 24.379
396 HA CYS 57 HA CYS 57 -16.235 12.784 24.774
397 HB2 CYS 57 HB2 CYS 57 -13.771 12.096 26.399
398 HB3 CYS 57 HB1 CYS 57 -15.388 11.934 27.069
Start of MODEL 19
1 H GLN 1 HT1 GLN 1 -2.370 6.769 1.990
2 HA GLN 1 HA GLN 1 -3.016 8.806 -0.033
3 HB2 GLN 1 HB2 GLN 1 -1.107 6.431 -0.236
4 HB3 GLN 1 HB1 GLN 1 -1.648 7.378 -1.608
5 HG2 GLN 1 HG2 GLN 1 0.559 8.088 -1.053
6 HG3 GLN 1 HG1 GLN 1 -0.543 9.372 -0.564
7 HE21 GLN 1 HE21 GLN 1 1.657 6.917 0.517
8 HE22 GLN 1 HE22 GLN 1 1.717 7.449 2.156
9 H GLY 2 HN GLY 2 -5.130 8.369 -0.394
10 HA2 GLY 2 HA2 GLY 2 -6.953 7.123 -1.031
11 HA3 GLY 2 HA1 GLY 2 -5.911 5.696 -1.143
12 H GLY 3 HN GLY 3 -5.204 4.733 0.812
13 HA2 GLY 3 HA2 GLY 3 -7.188 4.833 2.923
14 HA3 GLY 3 HA1 GLY 3 -5.856 3.676 2.786
15 H GLN 4 HN GLN 4 -6.846 5.942 4.747
16 HA GLN 4 HA GLN 4 -4.253 7.224 5.087
17 HB2 GLN 4 HB2 GLN 4 -6.957 7.874 6.278
18 HB3 GLN 4 HB1 GLN 4 -5.482 8.778 6.582
19 HG2 GLN 4 HG2 GLN 4 -6.826 8.472 3.900
20 HG3 GLN 4 HG1 GLN 4 -6.933 9.888 4.944
21 HE21 GLN 4 HE21 GLN 4 -5.167 11.234 5.138
22 HE22 GLN 4 HE22 GLN 4 -3.835 11.186 4.037
23 H VAL 5 HN VAL 5 -3.075 5.734 6.126
24 HA VAL 5 HA VAL 5 -4.168 4.157 8.290
25 HB VAL 5 HB VAL 5 -1.439 4.174 7.001
26 HG11 VAL 5 HG11 VAL 5 -0.954 2.091 8.213
27 HG12 VAL 5 HG12 VAL 5 -2.523 2.170 9.000
28 HG13 VAL 5 HG13 VAL 5 -1.310 3.367 9.390
29 HG21 VAL 5 HG21 VAL 5 -2.162 2.061 5.976
30 HG22 VAL 5 HG22 VAL 5 -3.196 3.426 5.528
31 HG23 VAL 5 HG23 VAL 5 -3.752 2.256 6.727
32 H ASP 6 HN ASP 6 -3.762 4.453 10.315
33 HA ASP 6 HA ASP 6 -1.284 5.749 10.990
34 HB2 ASP 6 HB2 ASP 6 -2.304 6.330 13.255
35 HB3 ASP 6 HB1 ASP 6 -2.877 7.312 11.918
36 H CYS 7 HN CYS 7 -0.207 4.666 12.755
37 HA CYS 7 HA CYS 7 -0.202 2.082 12.677
38 HB2 CYS 7 HB2 CYS 7 0.536 1.769 14.713
39 HB3 CYS 7 HB1 CYS 7 1.448 3.103 13.983
40 H GLY 8 HN GLY 8 -3.079 3.384 13.933
41 HA2 GLY 8 HA2 GLY 8 -3.729 1.537 15.961
42 HA3 GLY 8 HA1 GLY 8 -4.877 2.402 14.943
43 H GLU 9 HN GLU 9 -3.752 1.378 12.545
44 HA GLU 9 HA GLU 9 -5.234 -0.981 12.209
45 HB2 GLU 9 HB2 GLU 9 -3.403 0.670 10.669
46 HB3 GLU 9 HB1 GLU 9 -4.033 -0.802 9.933
47 HG2 GLU 9 HG2 GLU 9 -5.369 1.070 9.130
48 HG3 GLU 9 HG1 GLU 9 -6.356 0.142 10.243
49 H PHE 10 HN PHE 10 -1.826 -0.397 13.061
50 HA PHE 10 HA PHE 10 -1.383 -3.111 12.526
51 HB2 PHE 10 HB2 PHE 10 0.350 -1.003 11.440
52 HB3 PHE 10 HB1 PHE 10 0.695 -2.743 11.586
53 HD1 PHE 10 HD1 PHE 10 -0.608 -4.368 10.206
54 HD2 PHE 10 HD2 PHE 10 -0.934 -0.171 9.584
55 HE1 PHE 10 HE1 PHE 10 -1.647 -4.775 8.014
56 HE2 PHE 10 HE2 PHE 10 -1.976 -0.570 7.395
57 HZ PHE 10 HZ PHE 10 -2.335 -2.875 6.606
58 H GLN 11 HN GLN 11 -1.364 -3.119 14.260
59 HA GLN 11 HA GLN 11 -0.384 -2.658 16.727
60 HB2 GLN 11 HB2 GLN 11 -0.495 -5.089 15.236
61 HB3 GLN 11 HB1 GLN 11 -0.441 -5.141 17.050
62 HG2 GLN 11 HG2 GLN 11 -2.476 -3.596 16.780
63 HG3 GLN 11 HG1 GLN 11 -2.347 -4.067 15.087
64 HE21 GLN 11 HE21 GLN 11 -4.466 -4.927 15.161
65 HE22 GLN 11 HE22 GLN 11 -4.790 -6.461 15.882
66 H ASP 12 HN ASP 12 1.523 -3.107 14.260
67 HA ASP 12 HA ASP 12 3.871 -4.402 15.329
68 HB2 ASP 12 HB2 ASP 12 2.896 -4.263 12.886
69 HB3 ASP 12 HB1 ASP 12 3.697 -2.707 12.857
70 H THR 13 HN THR 13 5.591 -2.820 14.323
71 HA THR 13 HA THR 13 5.918 -0.753 16.364
72 HB THR 13 HB THR 13 8.331 -1.082 15.768
73 HG1 THR 13 HG1 THR 13 7.248 -3.402 14.505
74 HG21 THR 13 HG21 THR 13 6.759 -3.376 16.934
75 HG22 THR 13 HG22 THR 13 7.336 -1.967 17.830
76 HG23 THR 13 HG23 THR 13 8.490 -3.129 17.168
77 H LYS 14 HN LYS 14 6.686 -1.242 12.819
78 HA LYS 14 HA LYS 14 7.860 1.333 12.620
79 HB2 LYS 14 HB2 LYS 14 8.626 0.490 10.513
80 HB3 LYS 14 HB1 LYS 14 8.650 -0.800 11.730
81 HG2 LYS 14 HG2 LYS 14 6.239 -0.631 10.179
82 HG3 LYS 14 HG1 LYS 14 7.642 -1.193 9.225
83 HD2 LYS 14 HD2 LYS 14 6.346 -2.399 11.717
84 HD3 LYS 14 HD1 LYS 14 6.245 -3.000 10.082
85 HE2 LYS 14 HE2 LYS 14 8.632 -3.505 10.079
86 HE3 LYS 14 HE1 LYS 14 8.781 -2.868 11.717
87 HZ1 LYS 14 HZ1 LYS 14 7.276 -4.536 12.499
88 HZ2 LYS 14 HZ2 LYS 14 8.514 -5.363 11.702
89 HZ3 LYS 14 HZ3 LYS 14 6.985 -5.118 10.997
90 H VAL 15 HN VAL 15 4.879 0.973 13.045
91 HA VAL 15 HA VAL 15 3.842 2.030 10.530
92 HB VAL 15 HB VAL 15 2.212 1.009 12.816
93 HG11 VAL 15 HG11 VAL 15 0.469 0.786 11.120
94 HG12 VAL 15 HG12 VAL 15 1.646 1.089 9.857
95 HG13 VAL 15 HG13 VAL 15 1.225 2.371 10.982
96 HG21 VAL 15 HG21 VAL 15 3.907 -0.728 12.067
97 HG22 VAL 15 HG22 VAL 15 3.044 -0.810 10.523
98 HG23 VAL 15 HG23 VAL 15 2.242 -1.237 12.046
99 H TYR 16 HN TYR 16 3.216 4.084 10.658
100 HA TYR 16 HA TYR 16 2.577 5.209 13.265
101 HB2 TYR 16 HB2 TYR 16 3.896 7.207 12.829
102 HB3 TYR 16 HB1 TYR 16 4.873 5.739 12.641
103 HD1 TYR 16 HD2 TYR 16 5.846 5.107 10.562
104 HD2 TYR 16 HD1 TYR 16 3.299 8.510 10.784
105 HE1 TYR 16 HE2 TYR 16 6.576 5.795 8.316
106 HE2 TYR 16 HE1 TYR 16 4.025 9.206 8.541
107 HH TYR 16 HH TYR 16 5.905 8.878 7.039
108 H CYS 17 HN CYS 17 1.994 7.550 12.972
109 HA CYS 17 HA CYS 17 -0.697 6.980 12.364
110 HB2 CYS 17 HB2 CYS 17 -1.198 8.893 13.713
111 HB3 CYS 17 HB1 CYS 17 0.127 8.056 14.475
112 H THR 18 HN THR 18 -2.092 8.722 11.505
113 HA THR 18 HA THR 18 -1.135 9.603 8.900
114 HB THR 18 HB THR 18 -3.072 8.169 8.871
115 HG1 THR 18 HG1 THR 18 -4.508 9.537 7.759
116 HG21 THR 18 HG21 THR 18 -5.239 8.897 9.862
117 HG22 THR 18 HG22 THR 18 -4.393 10.230 10.653
118 HG23 THR 18 HG23 THR 18 -4.034 8.582 11.104
119 H ARG 19 HN ARG 19 -2.392 11.324 8.197
120 HA ARG 19 HA ARG 19 -1.569 13.713 9.724
121 HB2 ARG 19 HB2 ARG 19 -2.113 14.976 7.668
122 HB3 ARG 19 HB1 ARG 19 -0.961 13.680 7.360
123 HG2 ARG 19 HG2 ARG 19 -2.518 12.383 6.233
124 HG3 ARG 19 HG1 ARG 19 -3.884 13.215 6.967
125 HD2 ARG 19 HD2 ARG 19 -2.002 14.376 4.919
126 HD3 ARG 19 HD1 ARG 19 -3.629 13.778 4.598
127 HE ARG 19 HE ARG 19 -2.878 16.295 5.693
128 HH11 ARG 19 HH11 ARG 19 -5.552 13.880 5.893
129 HH12 ARG 19 HH12 ARG 19 -6.743 14.959 6.156
130 HH21 ARG 19 HH21 ARG 19 -4.642 17.887 6.055
131 HH22 ARG 19 HH22 ARG 19 -6.242 17.317 6.225
132 H GLU 20 HN GLU 20 -4.217 11.800 9.484
133 HA GLU 20 HA GLU 20 -6.251 13.742 9.168
134 HB2 GLU 20 HB2 GLU 20 -6.296 11.007 10.297
135 HB3 GLU 20 HB1 GLU 20 -7.789 11.927 9.980
136 HG2 GLU 20 HG2 GLU 20 -5.841 10.604 8.126
137 HG3 GLU 20 HG1 GLU 20 -7.601 10.535 8.116
138 H SER 21 HN SER 21 -6.931 15.119 10.473
139 HA SER 21 HA SER 21 -5.857 15.439 13.150
140 HB2 SER 21 HB2 SER 21 -6.001 17.155 11.331
141 HB3 SER 21 HB1 SER 21 -7.756 16.983 11.598
142 HG SER 21 HG SER 21 -7.336 17.592 13.812
143 H ASN 22 HN ASN 22 -8.098 13.717 12.247
144 HA ASN 22 HA ASN 22 -10.589 14.515 13.509
145 HB2 ASN 22 HB2 ASN 22 -10.360 12.750 11.682
146 HB3 ASN 22 HB1 ASN 22 -9.743 11.703 12.975
147 HD21 ASN 22 HD21 ASN 22 -12.576 13.344 11.735
148 HD22 ASN 22 HD22 ASN 22 -13.708 12.464 12.708
149 HA PRO 23 HA PRO 23 -8.862 13.460 17.615
150 HB2 PRO 23 HB2 PRO 23 -11.232 14.559 18.826
151 HB3 PRO 23 HB1 PRO 23 -9.601 15.233 18.817
152 HG2 PRO 23 HG2 PRO 23 -11.683 16.381 17.490
153 HG3 PRO 23 HG1 PRO 23 -9.976 16.589 17.063
154 HD2 PRO 23 HD2 PRO 23 -12.034 14.872 15.773
155 HD3 PRO 23 HD1 PRO 23 -10.680 15.778 15.059
156 H HIS 24 HN HIS 24 -9.561 12.160 19.498
157 HA HIS 24 HA HIS 24 -11.813 10.279 19.178
158 HB2 HIS 24 HB2 HIS 24 -8.905 9.519 18.758
159 HB3 HIS 24 HB1 HIS 24 -10.144 8.477 19.448
160 HD1 HIS 24 HD1 HIS 24 -11.105 10.504 16.386
161 HD2 HIS 24 HD2 HIS 24 -9.815 6.676 17.368
162 HE1 HIS 24 HE1 HIS 24 -11.520 9.077 14.371
163 H CYS 25 HN CYS 25 -12.485 9.977 20.890
164 HA CYS 25 HA CYS 25 -10.711 9.793 23.226
165 HB2 CYS 25 HB2 CYS 25 -12.770 11.276 23.514
166 HB3 CYS 25 HB1 CYS 25 -13.717 9.809 23.168
167 H GLY 26 HN GLY 26 -10.024 7.796 23.221
168 HA2 GLY 26 HA2 GLY 26 -11.393 5.711 21.864
169 HA3 GLY 26 HA1 GLY 26 -9.972 5.547 22.878
170 H SER 27 HN SER 27 -11.842 3.695 22.895
171 HA SER 27 HA SER 27 -13.716 3.995 24.948
172 HB2 SER 27 HB2 SER 27 -13.775 1.457 25.005
173 HB3 SER 27 HB1 SER 27 -14.000 2.154 23.403
174 HG SER 27 HG SER 27 -12.081 0.504 24.329
175 H ASP 28 HN ASP 28 -10.334 3.603 24.934
176 HA ASP 28 HA ASP 28 -9.641 2.627 27.506
177 HB2 ASP 28 HB2 ASP 28 -8.114 2.956 25.544
178 HB3 ASP 28 HB1 ASP 28 -8.312 4.688 25.760
179 H GLY 29 HN GLY 29 -10.655 5.568 26.274
180 HA2 GLY 29 HA2 GLY 29 -11.734 7.122 27.860
181 HA3 GLY 29 HA1 GLY 29 -10.440 6.620 28.983
182 H GLN 30 HN GLN 30 -8.651 6.457 26.780
183 HA GLN 30 HA GLN 30 -7.619 9.037 27.077
184 HB2 GLN 30 HB2 GLN 30 -6.780 6.942 25.160
185 HB3 GLN 30 HB1 GLN 30 -5.946 8.489 25.325
186 HG2 GLN 30 HG2 GLN 30 -5.721 8.208 27.485
187 HG3 GLN 30 HG1 GLN 30 -6.612 6.652 27.462
188 HE21 GLN 30 HE21 GLN 30 -5.099 5.185 27.943
189 HE22 GLN 30 HE22 GLN 30 -3.600 4.851 27.176
190 H THR 31 HN THR 31 -7.543 10.637 26.004
191 HA THR 31 HA THR 31 -8.938 10.753 23.410
192 HB THR 31 HB THR 31 -8.791 12.985 25.419
193 HG1 THR 31 HG1 THR 31 -10.355 11.203 25.770
194 HG21 THR 31 HG21 THR 31 -10.292 14.205 23.757
195 HG22 THR 31 HG22 THR 31 -10.044 12.887 22.628
196 HG23 THR 31 HG23 THR 31 -8.680 13.856 23.102
197 H TYR 32 HN TYR 32 -7.862 11.479 21.839
198 HA TYR 32 HA TYR 32 -5.658 13.209 22.434
199 HB2 TYR 32 HB2 TYR 32 -5.566 10.821 20.643
200 HB3 TYR 32 HB1 TYR 32 -4.487 12.199 20.471
201 HD1 TYR 32 HD1 TYR 32 -2.799 12.708 22.098
202 HD2 TYR 32 HD2 TYR 32 -5.341 9.344 22.592
203 HE1 TYR 32 HE1 TYR 32 -1.289 11.832 23.821
204 HE2 TYR 32 HE2 TYR 32 -3.843 8.464 24.313
205 HH TYR 32 HH TYR 32 -1.436 10.290 25.750
206 H GLY 33 HN GLY 33 -4.974 14.291 20.665
207 HA2 GLY 33 HA2 GLY 33 -6.991 15.958 19.617
208 HA3 GLY 33 HA1 GLY 33 -5.309 16.007 19.121
209 H ASN 34 HN ASN 34 -5.486 13.106 18.219
210 HA ASN 34 HA ASN 34 -7.503 13.078 16.268
211 HB2 ASN 34 HB2 ASN 34 -6.021 13.018 14.276
212 HB3 ASN 34 HB1 ASN 34 -6.034 14.559 15.077
213 HD21 ASN 34 HD21 ASN 34 -4.066 15.101 14.079
214 HD22 ASN 34 HD22 ASN 34 -2.576 14.442 14.644
215 H LYS 35 HN LYS 35 -7.291 11.105 14.885
216 HA LYS 35 HA LYS 35 -6.938 8.857 16.520
217 HB2 LYS 35 HB2 LYS 35 -8.384 8.933 14.448
218 HB3 LYS 35 HB1 LYS 35 -6.854 8.952 13.561
219 HG2 LYS 35 HG2 LYS 35 -6.342 6.700 14.228
220 HG3 LYS 35 HG1 LYS 35 -7.716 6.658 15.336
221 HD2 LYS 35 HD2 LYS 35 -9.269 6.789 13.470
222 HD3 LYS 35 HD1 LYS 35 -7.936 6.971 12.334
223 HE2 LYS 35 HE2 LYS 35 -8.358 4.533 14.077
224 HE3 LYS 35 HE1 LYS 35 -8.947 4.667 12.424
225 HZ1 LYS 35 HZ1 LYS 35 -6.797 3.479 12.464
226 HZ2 LYS 35 HZ2 LYS 35 -6.058 4.782 13.227
227 HZ3 LYS 35 HZ3 LYS 35 -6.604 4.946 11.708
228 H CYS 36 HN CYS 36 -4.959 10.204 14.412
229 HA CYS 36 HA CYS 36 -2.801 8.531 14.277
230 HB2 CYS 36 HB2 CYS 36 -2.332 10.466 13.011
231 HB3 CYS 36 HB1 CYS 36 -3.080 11.441 14.274
232 H ALA 37 HN ALA 37 -3.398 10.858 16.610
233 HA ALA 37 HA ALA 37 -1.133 10.585 18.308
234 HB1 ALA 37 HB1 ALA 37 -3.849 11.674 18.693
235 HB2 ALA 37 HB2 ALA 37 -2.448 12.600 18.179
236 HB3 ALA 37 HB3 ALA 37 -2.561 12.006 19.853
237 H PHE 38 HN PHE 38 -4.281 9.225 18.310
238 HA PHE 38 HA PHE 38 -3.826 7.735 20.821
239 HB2 PHE 38 HB2 PHE 38 -5.970 8.919 20.614
240 HB3 PHE 38 HB1 PHE 38 -6.324 8.059 19.128
241 HD1 PHE 38 HD2 PHE 38 -5.352 7.206 22.640
242 HD2 PHE 38 HD1 PHE 38 -7.895 6.427 19.321
243 HE1 PHE 38 HE2 PHE 38 -6.486 5.440 23.919
244 HE2 PHE 38 HE1 PHE 38 -9.026 4.669 20.603
245 HZ PHE 38 HZ PHE 38 -8.316 4.182 22.905
246 H CYS 39 HN CYS 39 -3.012 7.066 17.696
247 HA CYS 39 HA CYS 39 -4.178 4.485 17.296
248 HB2 CYS 39 HB2 CYS 39 -2.853 4.310 15.385
249 HB3 CYS 39 HB1 CYS 39 -3.166 6.042 15.663
250 H LYS 40 HN LYS 40 -1.392 5.514 18.667
251 HA LYS 40 HA LYS 40 -0.053 3.134 18.773
252 HB2 LYS 40 HB2 LYS 40 1.034 4.246 20.686
253 HB3 LYS 40 HB1 LYS 40 1.203 4.941 18.989
254 HG2 LYS 40 HG2 LYS 40 1.122 6.763 20.641
255 HG3 LYS 40 HG1 LYS 40 -0.434 6.700 19.826
256 HD2 LYS 40 HD2 LYS 40 -1.430 5.649 21.577
257 HD3 LYS 40 HD1 LYS 40 0.069 5.320 22.464
258 HE2 LYS 40 HE2 LYS 40 0.290 7.828 22.730
259 HE3 LYS 40 HE1 LYS 40 -1.304 7.987 21.994
260 HZ1 LYS 40 HZ1 LYS 40 -2.268 6.732 23.879
261 HZ2 LYS 40 HZ2 LYS 40 -1.423 8.056 24.426
262 HZ3 LYS 40 HZ3 LYS 40 -0.731 6.536 24.551
263 H ALA 41 HN ALA 41 -2.126 4.439 20.722
264 HA ALA 41 HA ALA 41 -1.906 2.754 23.052
265 HB1 ALA 41 HB1 ALA 41 -4.044 4.317 21.865
266 HB2 ALA 41 HB2 ALA 41 -2.990 4.834 23.205
267 HB3 ALA 41 HB3 ALA 41 -4.248 3.568 23.460
268 H ILE 42 HN ILE 42 -3.778 2.746 20.047
269 HA ILE 42 HA ILE 42 -5.536 0.600 20.743
270 HB ILE 42 HB ILE 42 -4.652 1.988 18.225
271 HG12 ILE 42 HG12 ILE 42 -7.296 2.030 19.593
272 HG13 ILE 42 HG11 ILE 42 -5.835 2.943 20.072
273 HG21 ILE 42 HG21 ILE 42 -6.473 0.823 17.068
274 HG22 ILE 42 HG22 ILE 42 -6.762 -0.143 18.542
275 HG23 ILE 42 HG23 ILE 42 -5.198 -0.231 17.705
276 HD11 ILE 42 HD11 ILE 42 -5.688 4.035 18.226
277 HD12 ILE 42 HD12 ILE 42 -7.435 4.184 18.563
278 HD13 ILE 42 HD13 ILE 42 -6.838 3.091 17.273
279 H VAL 43 HN VAL 43 -2.809 1.099 18.919
280 HA VAL 43 HA VAL 43 -2.221 -1.249 17.583
281 HB VAL 43 HB VAL 43 -0.317 0.624 18.907
282 HG11 VAL 43 HG11 VAL 43 1.204 0.099 17.077
283 HG12 VAL 43 HG12 VAL 43 -0.016 -0.928 16.338
284 HG13 VAL 43 HG13 VAL 43 0.739 -1.413 17.870
285 HG21 VAL 43 HG21 VAL 43 -0.361 1.810 16.865
286 HG22 VAL 43 HG22 VAL 43 -1.906 1.758 17.719
287 HG23 VAL 43 HG23 VAL 43 -1.626 0.728 16.292
288 H LYS 44 HN LYS 44 -1.158 -0.252 20.706
289 HA LYS 44 HA LYS 44 0.363 -2.621 21.009
290 HB2 LYS 44 HB2 LYS 44 -0.167 -0.286 22.586
291 HB3 LYS 44 HB1 LYS 44 0.827 -1.573 23.307
292 HG2 LYS 44 HG2 LYS 44 1.451 -0.173 20.667
293 HG3 LYS 44 HG1 LYS 44 2.267 0.189 22.190
294 HD2 LYS 44 HD2 LYS 44 3.378 -1.862 22.237
295 HD3 LYS 44 HD1 LYS 44 2.247 -2.655 21.163
296 HE2 LYS 44 HE2 LYS 44 4.145 -0.469 20.307
297 HE3 LYS 44 HE1 LYS 44 4.505 -2.190 20.181
298 HZ1 LYS 44 HZ1 LYS 44 2.251 -0.789 18.822
299 HZ2 LYS 44 HZ2 LYS 44 2.583 -2.434 18.679
300 HZ3 LYS 44 HZ3 LYS 44 3.639 -1.329 18.054
301 H SER 45 HN SER 45 -2.533 -1.388 22.247
302 HA SER 45 HA SER 45 -2.919 -3.642 23.971
303 HB2 SER 45 HB2 SER 45 -4.947 -1.650 23.006
304 HB3 SER 45 HB1 SER 45 -5.097 -2.716 24.408
305 HG SER 45 HG SER 45 -3.730 -0.347 24.143
306 H GLY 46 HN GLY 46 -2.844 -3.558 20.685
307 HA2 GLY 46 HA2 GLY 46 -3.096 -5.347 19.485
308 HA3 GLY 46 HA1 GLY 46 -4.266 -5.964 20.724
309 H GLY 47 HN GLY 47 -4.812 -2.900 19.576
310 HA2 GLY 47 HA2 GLY 47 -6.334 -2.077 18.036
311 HA3 GLY 47 HA1 GLY 47 -6.435 -3.687 17.330
312 H LYS 48 HN LYS 48 -6.815 -4.210 20.498
313 HA LYS 48 HA LYS 48 -9.536 -4.711 20.273
314 HB2 LYS 48 HB2 LYS 48 -7.662 -4.650 22.542
315 HB3 LYS 48 HB1 LYS 48 -9.286 -5.352 22.647
316 HG2 LYS 48 HG2 LYS 48 -8.787 -7.083 21.172
317 HG3 LYS 48 HG1 LYS 48 -7.424 -6.213 20.470
318 HD2 LYS 48 HD2 LYS 48 -6.226 -6.444 22.458
319 HD3 LYS 48 HD1 LYS 48 -7.519 -7.394 23.239
320 HE2 LYS 48 HE2 LYS 48 -5.863 -8.952 22.379
321 HE3 LYS 48 HE1 LYS 48 -7.276 -9.041 21.331
322 HZ1 LYS 48 HZ1 LYS 48 -4.739 -7.603 20.791
323 HZ2 LYS 48 HZ2 LYS 48 -6.081 -7.460 19.803
324 HZ3 LYS 48 HZ3 LYS 48 -5.307 -8.957 19.963
325 H ILE 49 HN ILE 49 -7.864 -1.909 21.306
326 HA ILE 49 HA ILE 49 -10.129 -0.842 22.758
327 HB ILE 49 HB ILE 49 -7.831 0.674 21.554
328 HG12 ILE 49 HG12 ILE 49 -8.043 -0.319 24.377
329 HG13 ILE 49 HG11 ILE 49 -7.194 -1.204 23.110
330 HG21 ILE 49 HG21 ILE 49 -9.700 2.134 22.266
331 HG22 ILE 49 HG22 ILE 49 -8.336 2.302 23.380
332 HG23 ILE 49 HG23 ILE 49 -9.721 1.328 23.831
333 HD11 ILE 49 HD11 ILE 49 -6.550 1.608 23.931
334 HD12 ILE 49 HD12 ILE 49 -5.709 0.515 22.784
335 HD13 ILE 49 HD13 ILE 49 -5.721 0.135 24.491
336 H SER 50 HN SER 50 -11.582 0.576 21.988
337 HA SER 50 HA SER 50 -11.706 0.993 19.080
338 HB2 SER 50 HB2 SER 50 -14.011 0.467 20.974
339 HB3 SER 50 HB1 SER 50 -14.104 0.706 19.226
340 HG SER 50 HG SER 50 -12.354 -1.258 19.847
341 H LEU 51 HN LEU 51 -13.482 3.021 18.754
342 HA LEU 51 HA LEU 51 -12.544 4.907 20.386
343 HB2 LEU 51 HB2 LEU 51 -12.733 4.964 18.018
344 HB3 LEU 51 HB1 LEU 51 -14.479 4.808 18.195
345 HG LEU 51 HG LEU 51 -14.496 6.709 19.616
346 HD11 LEU 51 HD11 LEU 51 -12.515 6.810 20.553
347 HD12 LEU 51 HD12 LEU 51 -12.231 8.078 19.307
348 HD13 LEU 51 HD13 LEU 51 -11.694 6.366 19.091
349 HD21 LEU 51 HD21 LEU 51 -14.362 8.204 18.047
350 HD22 LEU 51 HD22 LEU 51 -14.806 6.583 17.297
351 HD23 LEU 51 HD23 LEU 51 -13.163 7.267 17.067
352 H LYS 52 HN LYS 52 -13.764 6.082 21.846
353 HA LYS 52 HA LYS 52 -16.406 5.225 22.394
354 HB2 LYS 52 HB2 LYS 52 -14.833 5.637 24.276
355 HB3 LYS 52 HB1 LYS 52 -14.667 7.289 23.640
356 HG2 LYS 52 HG2 LYS 52 -16.856 7.607 23.767
357 HG3 LYS 52 HG1 LYS 52 -17.209 6.034 24.515
358 HD2 LYS 52 HD2 LYS 52 -15.810 8.477 25.701
359 HD3 LYS 52 HD1 LYS 52 -17.257 7.700 26.312
360 HE2 LYS 52 HE2 LYS 52 -15.689 6.982 27.838
361 HE3 LYS 52 HE1 LYS 52 -15.624 5.665 26.670
362 HZ1 LYS 52 HZ1 LYS 52 -13.417 6.470 27.356
363 HZ2 LYS 52 HZ2 LYS 52 -13.766 7.988 26.682
364 HZ3 LYS 52 HZ3 LYS 52 -13.637 6.645 25.697
365 H HIS 53 HN HIS 53 -14.668 7.982 21.475
366 HA HIS 53 HA HIS 53 -17.153 9.179 20.367
367 HB2 HIS 53 HB2 HIS 53 -15.324 10.717 22.232
368 HB3 HIS 53 HB1 HIS 53 -16.587 11.427 21.266
369 HD1 HIS 53 HD1 HIS 53 -16.469 11.801 24.291
370 HD2 HIS 53 HD2 HIS 53 -18.717 8.872 22.394
371 HE1 HIS 53 HE1 HIS 53 -18.303 11.175 25.903
372 HA PRO 54 HA PRO 54 -14.089 10.821 17.462
373 HB2 PRO 54 HB2 PRO 54 -16.334 12.206 16.201
374 HB3 PRO 54 HB1 PRO 54 -15.377 10.880 15.515
375 HG2 PRO 54 HG2 PRO 54 -17.979 10.603 16.186
376 HG3 PRO 54 HG1 PRO 54 -16.810 9.268 16.216
377 HD2 PRO 54 HD2 PRO 54 -17.877 10.875 18.493
378 HD3 PRO 54 HD1 PRO 54 -17.517 9.134 18.386
379 H GLY 55 HN GLY 55 -13.089 12.427 18.473
380 HA2 GLY 55 HA2 GLY 55 -13.076 14.877 19.049
381 HA3 GLY 55 HA1 GLY 55 -14.704 14.613 19.634
382 H LYS 56 HN LYS 56 -13.221 15.603 21.538
383 HA LYS 56 HA LYS 56 -11.895 13.632 23.014
384 HB2 LYS 56 HB2 LYS 56 -11.589 15.361 24.608
385 HB3 LYS 56 HB1 LYS 56 -11.570 16.135 23.009
386 HG2 LYS 56 HG2 LYS 56 -13.708 16.992 23.285
387 HG3 LYS 56 HG1 LYS 56 -14.029 16.010 24.715
388 HD2 LYS 56 HD2 LYS 56 -12.009 17.250 25.758
389 HD3 LYS 56 HD1 LYS 56 -12.245 18.419 24.458
390 HE2 LYS 56 HE2 LYS 56 -13.414 19.181 26.430
391 HE3 LYS 56 HE1 LYS 56 -14.592 18.711 25.207
392 HZ1 LYS 56 HZ1 LYS 56 -15.136 17.868 27.517
393 HZ2 LYS 56 HZ2 LYS 56 -13.799 16.828 27.410
394 HZ3 LYS 56 HZ3 LYS 56 -15.023 16.648 26.401
395 H CYS 57 HN CYS 57 -12.552 13.254 25.220
396 HA CYS 57 HA CYS 57 -15.414 12.926 25.500
397 HB2 CYS 57 HB2 CYS 57 -13.073 11.999 27.162
398 HB3 CYS 57 HB1 CYS 57 -14.695 12.017 27.847
Start of MODEL 20
1 H GLN 1 HT1 GLN 1 4.490 11.703 4.690
2 HA GLN 1 HA GLN 1 2.849 13.263 3.820
3 HB2 GLN 1 HB2 GLN 1 4.920 12.503 1.727
4 HB3 GLN 1 HB1 GLN 1 4.166 14.079 1.918
5 HG2 GLN 1 HG2 GLN 1 6.101 12.746 3.802
6 HG3 GLN 1 HG1 GLN 1 6.384 14.178 2.811
7 HE21 GLN 1 HE21 GLN 1 5.522 16.164 3.479
8 HE22 GLN 1 HE22 GLN 1 4.874 16.359 5.065
9 H GLY 2 HN GLY 2 1.699 13.889 1.722
10 HA2 GLY 2 HA2 GLY 2 0.310 13.382 -0.033
11 HA3 GLY 2 HA1 GLY 2 1.032 11.777 -0.089
12 H GLY 3 HN GLY 3 -0.742 10.505 -0.143
13 HA2 GLY 3 HA2 GLY 3 -2.738 10.846 1.983
14 HA3 GLY 3 HA1 GLY 3 -3.007 10.000 0.456
15 H GLN 4 HN GLN 4 -1.645 9.812 3.626
16 HA GLN 4 HA GLN 4 -0.632 7.157 3.085
17 HB2 GLN 4 HB2 GLN 4 0.806 7.527 4.952
18 HB3 GLN 4 HB1 GLN 4 0.738 9.003 3.988
19 HG2 GLN 4 HG2 GLN 4 -1.008 9.826 5.638
20 HG3 GLN 4 HG1 GLN 4 -0.461 8.512 6.679
21 HE21 GLN 4 HE21 GLN 4 0.501 9.695 8.229
22 HE22 GLN 4 HE22 GLN 4 1.860 10.719 8.005
23 H VAL 5 HN VAL 5 -0.952 5.610 4.917
24 HA VAL 5 HA VAL 5 -3.780 5.447 5.558
25 HB VAL 5 HB VAL 5 -2.226 3.539 4.738
26 HG11 VAL 5 HG11 VAL 5 -1.061 2.242 6.464
27 HG12 VAL 5 HG12 VAL 5 -1.405 3.513 7.637
28 HG13 VAL 5 HG13 VAL 5 -0.379 3.855 6.243
29 HG21 VAL 5 HG21 VAL 5 -3.438 1.802 6.007
30 HG22 VAL 5 HG22 VAL 5 -4.517 3.090 5.471
31 HG23 VAL 5 HG23 VAL 5 -3.983 3.027 7.150
32 H ASP 6 HN ASP 6 -4.243 4.640 7.929
33 HA ASP 6 HA ASP 6 -2.326 5.733 9.819
34 HB2 ASP 6 HB2 ASP 6 -4.328 7.228 9.673
35 HB3 ASP 6 HB1 ASP 6 -5.345 5.854 10.090
36 H CYS 7 HN CYS 7 -1.665 4.098 11.234
37 HA CYS 7 HA CYS 7 -2.587 1.590 11.552
38 HB2 CYS 7 HB2 CYS 7 -1.972 2.176 13.995
39 HB3 CYS 7 HB1 CYS 7 -0.825 1.929 12.677
40 H GLY 8 HN GLY 8 -3.273 1.279 14.352
41 HA2 GLY 8 HA2 GLY 8 -4.894 1.741 15.902
42 HA3 GLY 8 HA1 GLY 8 -5.868 2.561 14.667
43 H GLU 9 HN GLU 9 -6.372 1.195 12.814
44 HA GLU 9 HA GLU 9 -7.686 -1.187 13.561
45 HB2 GLU 9 HB2 GLU 9 -6.955 0.183 11.098
46 HB3 GLU 9 HB1 GLU 9 -8.056 -1.212 11.037
47 HG2 GLU 9 HG2 GLU 9 -9.523 0.629 10.889
48 HG3 GLU 9 HG1 GLU 9 -9.494 0.361 12.628
49 H PHE 10 HN PHE 10 -4.462 -0.322 12.694
50 HA PHE 10 HA PHE 10 -4.080 -2.876 11.510
51 HB2 PHE 10 HB2 PHE 10 -2.647 -0.378 10.877
52 HB3 PHE 10 HB1 PHE 10 -2.349 -2.055 10.356
53 HD1 PHE 10 HD1 PHE 10 -3.733 -3.137 8.703
54 HD2 PHE 10 HD2 PHE 10 -4.582 0.848 9.924
55 HE1 PHE 10 HE1 PHE 10 -5.290 -2.895 6.815
56 HE2 PHE 10 HE2 PHE 10 -6.143 1.098 8.041
57 HZ PHE 10 HZ PHE 10 -6.499 -0.775 6.483
58 H GLN 11 HN GLN 11 -3.915 -3.218 13.242
59 HA GLN 11 HA GLN 11 -2.460 -3.313 15.481
60 HB2 GLN 11 HB2 GLN 11 -3.096 -5.454 13.690
61 HB3 GLN 11 HB1 GLN 11 -2.812 -5.787 15.447
62 HG2 GLN 11 HG2 GLN 11 -4.816 -4.357 13.884
63 HG3 GLN 11 HG1 GLN 11 -5.160 -5.820 14.824
64 HE21 GLN 11 HE21 GLN 11 -6.632 -3.362 14.946
65 HE22 GLN 11 HE22 GLN 11 -6.432 -2.681 16.515
66 H ASP 12 HN ASP 12 -1.132 -3.632 12.539
67 HA ASP 12 HA ASP 12 1.214 -4.912 13.604
68 HB2 ASP 12 HB2 ASP 12 0.251 -5.621 11.365
69 HB3 ASP 12 HB1 ASP 12 0.818 -4.044 10.798
70 H THR 13 HN THR 13 2.753 -3.906 13.703
71 HA THR 13 HA THR 13 2.643 -1.036 14.219
72 HB THR 13 HB THR 13 3.566 -2.790 15.643
73 HG1 THR 13 HG1 THR 13 5.017 -0.364 15.119
74 HG21 THR 13 HG21 THR 13 6.030 -2.445 13.931
75 HG22 THR 13 HG22 THR 13 5.110 -3.925 14.200
76 HG23 THR 13 HG23 THR 13 6.054 -3.223 15.514
77 H LYS 14 HN LYS 14 3.300 -2.643 11.575
78 HA LYS 14 HA LYS 14 5.523 -1.132 10.481
79 HB2 LYS 14 HB2 LYS 14 3.300 -2.547 9.237
80 HB3 LYS 14 HB1 LYS 14 4.773 -2.131 8.313
81 HG2 LYS 14 HG2 LYS 14 4.077 -4.259 10.285
82 HG3 LYS 14 HG1 LYS 14 4.734 -4.458 8.669
83 HD2 LYS 14 HD2 LYS 14 6.897 -3.576 9.545
84 HD3 LYS 14 HD1 LYS 14 6.174 -3.569 11.162
85 HE2 LYS 14 HE2 LYS 14 6.662 -5.945 9.368
86 HE3 LYS 14 HE1 LYS 14 7.344 -5.638 10.963
87 HZ1 LYS 14 HZ1 LYS 14 4.475 -6.281 10.364
88 HZ2 LYS 14 HZ2 LYS 14 4.923 -5.776 11.795
89 HZ3 LYS 14 HZ3 LYS 14 5.535 -7.260 11.221
90 H VAL 15 HN VAL 15 2.245 -0.903 10.944
91 HA VAL 15 HA VAL 15 1.683 0.896 8.752
92 HB VAL 15 HB VAL 15 -0.286 0.003 10.780
93 HG11 VAL 15 HG11 VAL 15 -1.862 0.147 8.892
94 HG12 VAL 15 HG12 VAL 15 -0.525 0.664 7.868
95 HG13 VAL 15 HG13 VAL 15 -1.022 1.659 9.237
96 HG21 VAL 15 HG21 VAL 15 0.357 -2.185 10.320
97 HG22 VAL 15 HG22 VAL 15 0.930 -1.778 8.704
98 HG23 VAL 15 HG23 VAL 15 -0.798 -1.932 9.008
99 H TYR 16 HN TYR 16 1.788 2.938 9.140
100 HA TYR 16 HA TYR 16 1.072 3.900 11.769
101 HB2 TYR 16 HB2 TYR 16 3.520 4.794 10.268
102 HB3 TYR 16 HB1 TYR 16 2.801 5.809 11.509
103 HD1 TYR 16 HD2 TYR 16 2.344 4.589 13.796
104 HD2 TYR 16 HD1 TYR 16 5.170 3.274 10.901
105 HE1 TYR 16 HE2 TYR 16 3.522 3.322 15.538
106 HE2 TYR 16 HE1 TYR 16 6.357 2.001 12.640
107 HH TYR 16 HH TYR 16 6.610 1.994 15.033
108 H CYS 17 HN CYS 17 1.217 6.385 11.757
109 HA CYS 17 HA CYS 17 -1.558 6.617 11.404
110 HB2 CYS 17 HB2 CYS 17 -1.225 8.590 12.827
111 HB3 CYS 17 HB1 CYS 17 -0.431 7.175 13.412
112 H THR 18 HN THR 18 -2.573 8.559 10.874
113 HA THR 18 HA THR 18 -1.710 9.780 8.357
114 HB THR 18 HB THR 18 -4.003 8.928 8.426
115 HG1 THR 18 HG1 THR 18 -4.919 10.786 7.470
116 HG21 THR 18 HG21 THR 18 -4.475 10.980 10.614
117 HG22 THR 18 HG22 THR 18 -4.435 9.253 10.878
118 HG23 THR 18 HG23 THR 18 -5.715 9.960 9.883
119 H ARG 19 HN ARG 19 -2.530 11.851 8.184
120 HA ARG 19 HA ARG 19 -1.045 13.650 9.979
121 HB2 ARG 19 HB2 ARG 19 -1.581 15.329 8.063
122 HB3 ARG 19 HB1 ARG 19 -0.367 14.088 7.783
123 HG2 ARG 19 HG2 ARG 19 -1.887 12.775 6.496
124 HG3 ARG 19 HG1 ARG 19 -3.248 13.791 6.962
125 HD2 ARG 19 HD2 ARG 19 -2.497 15.579 5.638
126 HD3 ARG 19 HD1 ARG 19 -0.892 14.874 5.454
127 HE ARG 19 HE ARG 19 -1.686 13.465 3.817
128 HH11 ARG 19 HH11 ARG 19 -4.560 14.930 5.279
129 HH12 ARG 19 HH12 ARG 19 -5.510 14.804 3.913
130 HH21 ARG 19 HH21 ARG 19 -2.980 13.233 1.952
131 HH22 ARG 19 HH22 ARG 19 -4.609 13.790 1.930
132 H GLU 20 HN GLU 20 -4.090 12.651 9.146
133 HA GLU 20 HA GLU 20 -5.529 15.040 9.799
134 HB2 GLU 20 HB2 GLU 20 -6.344 12.249 9.227
135 HB3 GLU 20 HB1 GLU 20 -7.512 13.319 9.994
136 HG2 GLU 20 HG2 GLU 20 -7.798 13.244 7.567
137 HG3 GLU 20 HG1 GLU 20 -7.349 14.855 8.110
138 H SER 21 HN SER 21 -6.307 15.765 11.625
139 HA SER 21 HA SER 21 -5.724 14.176 13.950
140 HB2 SER 21 HB2 SER 21 -6.557 17.058 13.873
141 HB3 SER 21 HB1 SER 21 -6.020 16.038 15.238
142 HG SER 21 HG SER 21 -4.374 16.305 12.969
143 H ASN 22 HN ASN 22 -7.074 13.006 14.533
144 HA ASN 22 HA ASN 22 -9.964 13.555 14.353
145 HB2 ASN 22 HB2 ASN 22 -9.214 11.617 12.993
146 HB3 ASN 22 HB1 ASN 22 -8.580 10.867 14.452
147 HD21 ASN 22 HD21 ASN 22 -9.917 9.076 14.253
148 HD22 ASN 22 HD22 ASN 22 -11.611 9.177 14.588
149 HA PRO 23 HA PRO 23 -9.189 13.475 18.861
150 HB2 PRO 23 HB2 PRO 23 -11.677 14.984 19.048
151 HB3 PRO 23 HB1 PRO 23 -10.040 15.519 19.484
152 HG2 PRO 23 HG2 PRO 23 -11.376 16.566 17.409
153 HG3 PRO 23 HG1 PRO 23 -9.610 16.380 17.418
154 HD2 PRO 23 HD2 PRO 23 -11.661 14.658 16.088
155 HD3 PRO 23 HD1 PRO 23 -10.094 15.243 15.477
156 H HIS 24 HN HIS 24 -9.844 11.803 20.039
157 HA HIS 24 HA HIS 24 -12.579 10.610 20.193
158 HB2 HIS 24 HB2 HIS 24 -10.149 9.365 18.897
159 HB3 HIS 24 HB1 HIS 24 -11.390 8.487 19.784
160 HD1 HIS 24 HD1 HIS 24 -12.782 11.158 17.593
161 HD2 HIS 24 HD2 HIS 24 -11.783 7.147 17.258
162 HE1 HIS 24 HE1 HIS 24 -14.098 10.270 15.640
163 H CYS 25 HN CYS 25 -12.926 10.215 21.911
164 HA CYS 25 HA CYS 25 -10.926 9.854 23.990
165 HB2 CYS 25 HB2 CYS 25 -12.902 11.307 24.461
166 HB3 CYS 25 HB1 CYS 25 -13.946 9.937 24.067
167 H GLY 26 HN GLY 26 -10.198 7.821 24.025
168 HA2 GLY 26 HA2 GLY 26 -11.633 5.826 22.596
169 HA3 GLY 26 HA1 GLY 26 -10.105 5.635 23.449
170 H SER 27 HN SER 27 -12.241 3.917 23.448
171 HA SER 27 HA SER 27 -13.674 3.952 25.811
172 HB2 SER 27 HB2 SER 27 -12.671 1.514 24.320
173 HB3 SER 27 HB1 SER 27 -13.918 1.471 25.567
174 HG SER 27 HG SER 27 -14.436 1.672 23.176
175 H ASP 28 HN ASP 28 -10.463 3.765 25.336
176 HA ASP 28 HA ASP 28 -9.411 2.264 27.564
177 HB2 ASP 28 HB2 ASP 28 -8.426 2.545 25.267
178 HB3 ASP 28 HB1 ASP 28 -8.207 4.242 25.648
179 H GLY 29 HN GLY 29 -10.911 5.160 27.023
180 HA2 GLY 29 HA2 GLY 29 -11.418 6.728 28.701
181 HA3 GLY 29 HA1 GLY 29 -9.980 6.169 29.577
182 H GLN 30 HN GLN 30 -8.368 6.089 27.358
183 HA GLN 30 HA GLN 30 -7.547 8.719 27.522
184 HB2 GLN 30 HB2 GLN 30 -6.296 6.351 26.281
185 HB3 GLN 30 HB1 GLN 30 -5.604 7.991 26.175
186 HG2 GLN 30 HG2 GLN 30 -5.778 8.282 28.462
187 HG3 GLN 30 HG1 GLN 30 -6.580 6.682 28.552
188 HE21 GLN 30 HE21 GLN 30 -4.908 5.083 27.103
189 HE22 GLN 30 HE22 GLN 30 -3.331 5.038 27.791
190 H THR 31 HN THR 31 -7.386 10.182 26.354
191 HA THR 31 HA THR 31 -9.009 10.185 23.895
192 HB THR 31 HB THR 31 -8.113 12.560 25.546
193 HG1 THR 31 HG1 THR 31 -9.907 10.919 26.283
194 HG21 THR 31 HG21 THR 31 -9.582 13.871 24.183
195 HG22 THR 31 HG22 THR 31 -10.189 12.456 23.352
196 HG23 THR 31 HG23 THR 31 -8.518 12.973 23.085
197 H TYR 32 HN TYR 32 -8.049 10.330 22.018
198 HA TYR 32 HA TYR 32 -5.403 11.396 22.019
199 HB2 TYR 32 HB2 TYR 32 -5.119 10.128 19.868
200 HB3 TYR 32 HB1 TYR 32 -5.296 9.236 21.389
201 HD1 TYR 32 HD2 TYR 32 -7.187 7.775 21.747
202 HD2 TYR 32 HD1 TYR 32 -6.755 9.907 18.093
203 HE1 TYR 32 HE2 TYR 32 -8.789 6.251 20.683
204 HE2 TYR 32 HE1 TYR 32 -8.349 8.377 17.011
205 HH TYR 32 HH TYR 32 -10.295 6.196 18.767
206 H GLY 33 HN GLY 33 -4.840 12.992 20.900
207 HA2 GLY 33 HA2 GLY 33 -6.787 14.854 19.960
208 HA3 GLY 33 HA1 GLY 33 -5.042 15.048 19.856
209 H ASN 34 HN ASN 34 -4.362 12.796 18.274
210 HA ASN 34 HA ASN 34 -6.083 13.098 16.034
211 HB2 ASN 34 HB2 ASN 34 -4.105 13.011 14.477
212 HB3 ASN 34 HB1 ASN 34 -4.190 14.497 15.401
213 HD21 ASN 34 HD21 ASN 34 -2.063 14.947 15.074
214 HD22 ASN 34 HD22 ASN 34 -0.784 14.047 15.808
215 H LYS 35 HN LYS 35 -5.464 11.183 14.480
216 HA LYS 35 HA LYS 35 -5.992 8.951 16.211
217 HB2 LYS 35 HB2 LYS 35 -7.014 9.480 13.894
218 HB3 LYS 35 HB1 LYS 35 -5.457 8.897 13.307
219 HG2 LYS 35 HG2 LYS 35 -5.884 6.701 14.017
220 HG3 LYS 35 HG1 LYS 35 -7.234 7.208 15.039
221 HD2 LYS 35 HD2 LYS 35 -8.542 7.798 13.081
222 HD3 LYS 35 HD1 LYS 35 -7.181 7.412 12.027
223 HE2 LYS 35 HE2 LYS 35 -8.453 5.403 13.870
224 HE3 LYS 35 HE1 LYS 35 -8.992 5.657 12.213
225 HZ1 LYS 35 HZ1 LYS 35 -6.120 5.007 12.741
226 HZ2 LYS 35 HZ2 LYS 35 -7.101 4.680 11.377
227 HZ3 LYS 35 HZ3 LYS 35 -7.338 3.848 12.738
228 H CYS 36 HN CYS 36 -3.545 9.944 14.358
229 HA CYS 36 HA CYS 36 -1.608 8.075 14.491
230 HB2 CYS 36 HB2 CYS 36 -1.346 10.340 13.435
231 HB3 CYS 36 HB1 CYS 36 -1.182 10.988 15.029
232 H ALA 37 HN ALA 37 -2.371 10.269 16.776
233 HA ALA 37 HA ALA 37 -0.481 10.065 18.780
234 HB1 ALA 37 HB1 ALA 37 -3.364 10.360 19.313
235 HB2 ALA 37 HB2 ALA 37 -2.441 11.616 18.559
236 HB3 ALA 37 HB3 ALA 37 -2.055 11.124 20.242
237 H PHE 38 HN PHE 38 -3.396 8.071 18.400
238 HA PHE 38 HA PHE 38 -2.100 6.332 20.401
239 HB2 PHE 38 HB2 PHE 38 -4.064 7.733 21.210
240 HB3 PHE 38 HB1 PHE 38 -5.088 6.588 20.349
241 HD1 PHE 38 HD1 PHE 38 -2.559 6.944 23.009
242 HD2 PHE 38 HD2 PHE 38 -5.628 4.510 21.362
243 HE1 PHE 38 HE1 PHE 38 -2.481 5.511 25.002
244 HE2 PHE 38 HE2 PHE 38 -5.545 3.068 23.349
245 HZ PHE 38 HZ PHE 38 -3.977 3.567 25.172
246 H CYS 39 HN CYS 39 -3.075 6.285 17.220
247 HA CYS 39 HA CYS 39 -4.477 3.887 16.753
248 HB2 CYS 39 HB2 CYS 39 -3.517 4.029 14.532
249 HB3 CYS 39 HB1 CYS 39 -3.830 5.677 15.136
250 H LYS 40 HN LYS 40 -1.065 4.256 16.804
251 HA LYS 40 HA LYS 40 -0.431 1.628 16.505
252 HB2 LYS 40 HB2 LYS 40 1.602 2.591 17.646
253 HB3 LYS 40 HB1 LYS 40 1.188 2.901 15.880
254 HG2 LYS 40 HG2 LYS 40 2.034 4.981 16.763
255 HG3 LYS 40 HG1 LYS 40 0.287 5.098 16.849
256 HD2 LYS 40 HD2 LYS 40 0.283 4.775 19.191
257 HD3 LYS 40 HD1 LYS 40 2.005 4.361 19.203
258 HE2 LYS 40 HE2 LYS 40 2.597 6.590 18.454
259 HE3 LYS 40 HE1 LYS 40 0.901 7.016 18.272
260 HZ1 LYS 40 HZ1 LYS 40 1.990 7.893 20.274
261 HZ2 LYS 40 HZ2 LYS 40 2.097 6.323 20.923
262 HZ3 LYS 40 HZ3 LYS 40 0.590 7.036 20.545
263 H ALA 41 HN ALA 41 -1.044 3.356 19.011
264 HA ALA 41 HA ALA 41 -0.186 1.478 21.059
265 HB1 ALA 41 HB1 ALA 41 -2.111 3.514 20.940
266 HB2 ALA 41 HB2 ALA 41 -0.404 3.709 21.580
267 HB3 ALA 41 HB3 ALA 41 -1.666 2.682 22.441
268 H ILE 42 HN ILE 42 -3.168 2.116 19.173
269 HA ILE 42 HA ILE 42 -4.924 0.435 20.784
270 HB ILE 42 HB ILE 42 -4.906 1.524 17.962
271 HG12 ILE 42 HG12 ILE 42 -6.757 2.181 20.203
272 HG13 ILE 42 HG11 ILE 42 -5.084 2.764 20.036
273 HG21 ILE 42 HG21 ILE 42 -7.081 -0.078 19.341
274 HG22 ILE 42 HG22 ILE 42 -5.991 -0.603 18.056
275 HG23 ILE 42 HG23 ILE 42 -7.176 0.674 17.720
276 HD11 ILE 42 HD11 ILE 42 -6.899 4.275 19.093
277 HD12 ILE 42 HD12 ILE 42 -6.941 3.073 17.749
278 HD13 ILE 42 HD13 ILE 42 -5.406 3.821 18.289
279 H VAL 43 HN VAL 43 -3.143 0.299 18.092
280 HA VAL 43 HA VAL 43 -3.065 -2.303 17.218
281 HB VAL 43 HB VAL 43 -0.928 -0.235 17.527
282 HG11 VAL 43 HG11 VAL 43 0.227 -2.332 17.251
283 HG12 VAL 43 HG12 VAL 43 0.400 -1.289 15.844
284 HG13 VAL 43 HG13 VAL 43 -0.692 -2.664 15.780
285 HG21 VAL 43 HG21 VAL 43 -1.410 0.181 15.170
286 HG22 VAL 43 HG22 VAL 43 -2.680 0.476 16.367
287 HG23 VAL 43 HG23 VAL 43 -2.774 -0.972 15.303
288 H LYS 44 HN LYS 44 -1.358 -0.837 19.918
289 HA LYS 44 HA LYS 44 0.067 -3.286 20.333
290 HB2 LYS 44 HB2 LYS 44 0.097 -0.658 21.445
291 HB3 LYS 44 HB1 LYS 44 1.063 -1.899 22.277
292 HG2 LYS 44 HG2 LYS 44 2.249 -2.424 20.170
293 HG3 LYS 44 HG1 LYS 44 1.300 -1.214 19.325
294 HD2 LYS 44 HD2 LYS 44 2.401 0.548 20.588
295 HD3 LYS 44 HD1 LYS 44 3.300 -0.662 21.515
296 HE2 LYS 44 HE2 LYS 44 4.629 0.316 19.643
297 HE3 LYS 44 HE1 LYS 44 4.438 -1.431 19.529
298 HZ1 LYS 44 HZ1 LYS 44 2.625 -1.053 17.918
299 HZ2 LYS 44 HZ2 LYS 44 4.078 -0.465 17.355
300 HZ3 LYS 44 HZ3 LYS 44 2.916 0.606 17.952
301 H SER 45 HN SER 45 -2.408 -1.513 21.744
302 HA SER 45 HA SER 45 -2.685 -3.345 23.947
303 HB2 SER 45 HB2 SER 45 -4.435 -1.143 22.963
304 HB3 SER 45 HB1 SER 45 -4.695 -2.042 24.456
305 HG SER 45 HG SER 45 -2.284 -0.717 23.912
306 H GLY 46 HN GLY 46 -3.240 -4.064 20.779
307 HA2 GLY 46 HA2 GLY 46 -4.142 -5.956 20.195
308 HA3 GLY 46 HA1 GLY 46 -5.172 -5.877 21.686
309 H GLY 47 HN GLY 47 -5.375 -3.095 20.072
310 HA2 GLY 47 HA2 GLY 47 -7.089 -2.192 18.846
311 HA3 GLY 47 HA1 GLY 47 -7.524 -3.829 18.343
312 H LYS 48 HN LYS 48 -7.172 -3.587 21.782
313 HA LYS 48 HA LYS 48 -9.821 -4.156 22.294
314 HB2 LYS 48 HB2 LYS 48 -8.856 -4.491 24.337
315 HB3 LYS 48 HB1 LYS 48 -7.457 -3.991 23.363
316 HG2 LYS 48 HG2 LYS 48 -7.779 -1.668 24.105
317 HG3 LYS 48 HG1 LYS 48 -8.923 -2.280 25.313
318 HD2 LYS 48 HD2 LYS 48 -7.210 -3.876 26.027
319 HD3 LYS 48 HD1 LYS 48 -6.187 -3.097 24.804
320 HE2 LYS 48 HE2 LYS 48 -7.408 -1.628 27.210
321 HE3 LYS 48 HE1 LYS 48 -5.784 -2.294 27.269
322 HZ1 LYS 48 HZ1 LYS 48 -6.027 0.177 26.742
323 HZ2 LYS 48 HZ2 LYS 48 -6.614 -0.225 25.280
324 HZ3 LYS 48 HZ3 LYS 48 -5.027 -0.674 25.710
325 H ILE 49 HN ILE 49 -8.129 -1.302 21.794
326 HA ILE 49 HA ILE 49 -10.128 0.342 23.106
327 HB ILE 49 HB ILE 49 -8.034 1.289 21.268
328 HG12 ILE 49 HG12 ILE 49 -7.210 2.140 23.751
329 HG13 ILE 49 HG11 ILE 49 -7.900 0.561 24.090
330 HG21 ILE 49 HG21 ILE 49 -8.374 3.548 22.454
331 HG22 ILE 49 HG22 ILE 49 -9.804 2.813 23.214
332 HG23 ILE 49 HG23 ILE 49 -9.729 2.987 21.478
333 HD11 ILE 49 HD11 ILE 49 -6.382 -0.374 22.297
334 HD12 ILE 49 HD12 ILE 49 -5.585 0.294 23.709
335 HD13 ILE 49 HD13 ILE 49 -5.655 1.238 22.243
336 H SER 50 HN SER 50 -11.690 1.217 22.384
337 HA SER 50 HA SER 50 -12.371 1.557 19.548
338 HB2 SER 50 HB2 SER 50 -14.709 0.989 20.271
339 HB3 SER 50 HB1 SER 50 -13.594 -0.397 20.276
340 HG SER 50 HG SER 50 -13.827 -0.581 22.306
341 H LEU 51 HN LEU 51 -14.486 3.322 19.649
342 HA LEU 51 HA LEU 51 -13.434 5.224 21.179
343 HB2 LEU 51 HB2 LEU 51 -13.962 5.328 18.891
344 HB3 LEU 51 HB1 LEU 51 -15.658 5.096 19.309
345 HG LEU 51 HG LEU 51 -15.505 6.941 20.806
346 HD11 LEU 51 HD11 LEU 51 -12.856 6.890 19.622
347 HD12 LEU 51 HD12 LEU 51 -13.307 7.016 21.318
348 HD13 LEU 51 HD13 LEU 51 -13.444 8.455 20.252
349 HD21 LEU 51 HD21 LEU 51 -15.714 8.500 19.258
350 HD22 LEU 51 HD22 LEU 51 -16.258 6.865 18.612
351 HD23 LEU 51 HD23 LEU 51 -14.711 7.581 18.063
352 H LYS 52 HN LYS 52 -14.381 6.252 22.846
353 HA LYS 52 HA LYS 52 -17.113 5.662 23.715
354 HB2 LYS 52 HB2 LYS 52 -15.213 7.721 24.714
355 HB3 LYS 52 HB1 LYS 52 -16.730 7.246 25.454
356 HG2 LYS 52 HG2 LYS 52 -14.681 5.436 24.823
357 HG3 LYS 52 HG1 LYS 52 -14.460 6.414 26.279
358 HD2 LYS 52 HD2 LYS 52 -15.638 4.684 27.396
359 HD3 LYS 52 HD1 LYS 52 -17.030 5.481 26.700
360 HE2 LYS 52 HE2 LYS 52 -15.611 3.051 25.554
361 HE3 LYS 52 HE1 LYS 52 -17.091 3.015 26.485
362 HZ1 LYS 52 HZ1 LYS 52 -17.626 2.779 24.213
363 HZ2 LYS 52 HZ2 LYS 52 -16.664 4.019 23.731
364 HZ3 LYS 52 HZ3 LYS 52 -18.099 4.360 24.588
365 H HIS 53 HN HIS 53 -15.258 8.177 22.644
366 HA HIS 53 HA HIS 53 -17.685 9.612 21.729
367 HB2 HIS 53 HB2 HIS 53 -17.566 10.133 24.114
368 HB3 HIS 53 HB1 HIS 53 -15.931 10.731 23.930
369 HD1 HIS 53 HD1 HIS 53 -15.882 13.257 23.985
370 HD2 HIS 53 HD2 HIS 53 -19.414 11.770 22.352
371 HE1 HIS 53 HE1 HIS 53 -17.302 15.251 23.436
372 HA PRO 54 HA PRO 54 -14.610 11.407 18.930
373 HB2 PRO 54 HB2 PRO 54 -16.806 13.073 17.933
374 HB3 PRO 54 HB1 PRO 54 -15.924 11.801 17.065
375 HG2 PRO 54 HG2 PRO 54 -18.503 11.530 17.759
376 HG3 PRO 54 HG1 PRO 54 -17.379 10.160 17.667
377 HD2 PRO 54 HD2 PRO 54 -18.351 11.622 20.082
378 HD3 PRO 54 HD1 PRO 54 -18.088 9.880 19.822
379 H GLY 55 HN GLY 55 -13.394 12.793 19.993
380 HA2 GLY 55 HA2 GLY 55 -12.998 15.165 20.537
381 HA3 GLY 55 HA1 GLY 55 -14.633 15.174 21.195
382 H LYS 56 HN LYS 56 -12.473 15.945 22.759
383 HA LYS 56 HA LYS 56 -11.335 14.161 24.376
384 HB2 LYS 56 HB2 LYS 56 -12.381 16.862 24.793
385 HB3 LYS 56 HB1 LYS 56 -11.732 15.895 26.114
386 HG2 LYS 56 HG2 LYS 56 -9.639 15.680 24.815
387 HG3 LYS 56 HG1 LYS 56 -10.432 16.773 23.640
388 HD2 LYS 56 HD2 LYS 56 -8.822 17.792 25.502
389 HD3 LYS 56 HD1 LYS 56 -10.329 18.608 25.098
390 HE2 LYS 56 HE2 LYS 56 -9.936 18.453 27.564
391 HE3 LYS 56 HE1 LYS 56 -11.430 17.686 27.072
392 HZ1 LYS 56 HZ1 LYS 56 -10.511 16.251 28.599
393 HZ2 LYS 56 HZ2 LYS 56 -8.932 16.353 28.068
394 HZ3 LYS 56 HZ3 LYS 56 -10.098 15.492 27.203
395 H CYS 57 HN CYS 57 -11.571 13.479 26.263
396 HA CYS 57 HA CYS 57 -13.987 13.989 27.786
397 HB2 CYS 57 HB2 CYS 57 -12.003 11.663 27.965
398 HB3 CYS 57 HB1 CYS 57 -13.263 11.972 29.152